USER MOD reduce.3.24.130724 H: found=0, std=0, add=466, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 466 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 7 ASN : amide:sc= -0.08 X(o=-0.08,f=-0.26) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= 1.09 K(o=1.1,f=-4.3!) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.0057) USER MOD Single : A 32 MET CE :methyl 168:sc= -0.0581 (180deg=-0.317) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot -37:sc= 0.167 USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 48 CYS SG : rot -140:sc= -1.06 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 HIS : no HE2:sc= -0.0621 K(o=-0.062,f=-0.58) USER MOD Single : A 54 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 80 N LEU A 6 9.070 2.670 -20.563 1.00 25.00 N ATOM 81 CA LEU A 6 9.513 2.333 -21.923 1.00 25.00 C ATOM 82 C LEU A 6 8.339 2.496 -22.884 1.00 25.00 C ATOM 83 O LEU A 6 8.491 3.038 -23.961 1.00 25.00 O ATOM 84 CB LEU A 6 9.998 0.875 -21.996 1.00 25.00 C ATOM 85 CG LEU A 6 11.214 0.442 -21.160 1.00 25.00 C ATOM 86 CD1 LEU A 6 11.366 -1.066 -21.282 1.00 25.00 C ATOM 87 CD2 LEU A 6 12.498 1.138 -21.610 1.00 25.00 C ATOM 0 HA LEU A 6 10.334 2.998 -22.193 1.00 25.00 H new ATOM 0 HB2 LEU A 6 9.161 0.237 -21.711 1.00 25.00 H new ATOM 0 HB3 LEU A 6 10.224 0.657 -23.040 1.00 25.00 H new ATOM 0 HG LEU A 6 11.045 0.730 -20.122 1.00 25.00 H new ATOM 0 HD11 LEU A 6 12.224 -1.394 -20.695 1.00 25.00 H new ATOM 0 HD12 LEU A 6 10.465 -1.554 -20.910 1.00 25.00 H new ATOM 0 HD13 LEU A 6 11.518 -1.333 -22.328 1.00 25.00 H new ATOM 0 HD21 LEU A 6 13.330 0.802 -20.992 1.00 25.00 H new ATOM 0 HD22 LEU A 6 12.699 0.893 -22.653 1.00 25.00 H new ATOM 0 HD23 LEU A 6 12.382 2.217 -21.507 1.00 25.00 H new ATOM 99 N ASN A 7 7.180 2.010 -22.450 1.00 25.00 N ATOM 100 CA ASN A 7 5.917 2.090 -23.190 1.00 25.00 C ATOM 101 C ASN A 7 6.038 1.589 -24.630 1.00 25.00 C ATOM 102 O ASN A 7 5.519 2.201 -25.562 1.00 25.00 O ATOM 103 CB ASN A 7 5.342 3.513 -23.153 1.00 25.00 C ATOM 104 CG ASN A 7 3.863 3.539 -23.482 1.00 25.00 C ATOM 105 OD1 ASN A 7 3.091 2.801 -22.893 1.00 25.00 O ATOM 106 ND2 ASN A 7 3.474 4.362 -24.416 1.00 25.00 N ATOM 0 H ASN A 7 7.087 1.537 -21.551 1.00 25.00 H new ATOM 0 HA ASN A 7 5.222 1.421 -22.683 1.00 25.00 H new ATOM 0 HB2 ASN A 7 5.500 3.942 -22.164 1.00 25.00 H new ATOM 0 HB3 ASN A 7 5.882 4.140 -23.862 1.00 25.00 H new ATOM 0 HD21 ASN A 7 2.490 4.406 -24.679 1.00 25.00 H new ATOM 0 HD22 ASN A 7 4.154 4.962 -24.883 1.00 25.00 H new ATOM 113 N VAL A 8 6.693 0.450 -24.798 1.00 25.00 N ATOM 114 CA VAL A 8 6.800 -0.185 -26.098 1.00 25.00 C ATOM 115 C VAL A 8 5.938 -1.428 -26.013 1.00 25.00 C ATOM 116 O VAL A 8 5.581 -1.850 -24.933 1.00 25.00 O ATOM 117 CB VAL A 8 8.266 -0.532 -26.464 1.00 25.00 C ATOM 118 CG1 VAL A 8 9.106 0.751 -26.626 1.00 25.00 C ATOM 119 CG2 VAL A 8 8.906 -1.472 -25.396 1.00 25.00 C ATOM 0 H VAL A 8 7.160 -0.054 -24.044 1.00 25.00 H new ATOM 0 HA VAL A 8 6.465 0.485 -26.890 1.00 25.00 H new ATOM 0 HB VAL A 8 8.255 -1.061 -27.417 1.00 25.00 H new ATOM 0 HG11 VAL A 8 10.131 0.485 -26.883 1.00 25.00 H new ATOM 0 HG12 VAL A 8 8.681 1.366 -27.419 1.00 25.00 H new ATOM 0 HG13 VAL A 8 9.100 1.310 -25.691 1.00 25.00 H new ATOM 0 HG21 VAL A 8 9.934 -1.698 -25.679 1.00 25.00 H new ATOM 0 HG22 VAL A 8 8.898 -0.978 -24.425 1.00 25.00 H new ATOM 0 HG23 VAL A 8 8.334 -2.398 -25.337 1.00 25.00 H new ATOM 129 N LEU A 9 5.593 -2.006 -27.147 1.00 25.00 N ATOM 130 CA LEU A 9 4.732 -3.189 -27.167 1.00 25.00 C ATOM 131 C LEU A 9 5.303 -4.262 -28.060 1.00 25.00 C ATOM 132 O LEU A 9 6.010 -3.997 -29.043 1.00 25.00 O ATOM 133 CB LEU A 9 3.302 -2.833 -27.582 1.00 25.00 C ATOM 134 CG LEU A 9 3.103 -1.956 -28.838 1.00 25.00 C ATOM 135 CD1 LEU A 9 1.840 -2.368 -29.564 1.00 25.00 C ATOM 136 CD2 LEU A 9 3.007 -0.482 -28.435 1.00 25.00 C ATOM 0 H LEU A 9 5.891 -1.683 -28.067 1.00 25.00 H new ATOM 0 HA LEU A 9 4.693 -3.583 -26.151 1.00 25.00 H new ATOM 0 HB2 LEU A 9 2.759 -3.765 -27.737 1.00 25.00 H new ATOM 0 HB3 LEU A 9 2.829 -2.324 -26.742 1.00 25.00 H new ATOM 0 HG LEU A 9 3.957 -2.093 -29.501 1.00 25.00 H new ATOM 0 HD11 LEU A 9 1.708 -1.744 -30.448 1.00 25.00 H new ATOM 0 HD12 LEU A 9 1.918 -3.413 -29.866 1.00 25.00 H new ATOM 0 HD13 LEU A 9 0.983 -2.245 -28.902 1.00 25.00 H new ATOM 0 HD21 LEU A 9 2.867 0.130 -29.326 1.00 25.00 H new ATOM 0 HD22 LEU A 9 2.161 -0.343 -27.762 1.00 25.00 H new ATOM 0 HD23 LEU A 9 3.925 -0.182 -27.930 1.00 25.00 H new ATOM 148 N ALA A 10 5.026 -5.493 -27.674 1.00 25.00 N ATOM 149 CA ALA A 10 5.564 -6.654 -28.356 1.00 25.00 C ATOM 150 C ALA A 10 4.434 -7.650 -28.608 1.00 25.00 C ATOM 151 O ALA A 10 3.422 -7.645 -27.904 1.00 25.00 O ATOM 152 CB ALA A 10 6.674 -7.287 -27.525 1.00 25.00 C ATOM 0 H ALA A 10 4.424 -5.716 -26.881 1.00 25.00 H new ATOM 0 HA ALA A 10 5.994 -6.354 -29.312 1.00 25.00 H new ATOM 0 HB1 ALA A 10 7.069 -8.158 -28.049 1.00 25.00 H new ATOM 0 HB2 ALA A 10 7.473 -6.562 -27.373 1.00 25.00 H new ATOM 0 HB3 ALA A 10 6.275 -7.595 -26.559 1.00 25.00 H new ATOM 158 N LYS A 11 4.633 -8.518 -29.586 1.00 25.00 N ATOM 159 CA LYS A 11 3.692 -9.590 -29.909 1.00 25.00 C ATOM 160 C LYS A 11 4.323 -10.913 -29.549 1.00 25.00 C ATOM 161 O LYS A 11 5.480 -11.135 -29.886 1.00 25.00 O ATOM 162 CB LYS A 11 3.392 -9.573 -31.409 1.00 25.00 C ATOM 163 CG LYS A 11 2.368 -10.630 -31.823 1.00 25.00 C ATOM 164 CD LYS A 11 2.055 -10.604 -33.300 1.00 25.00 C ATOM 165 CE LYS A 11 3.145 -11.311 -34.105 1.00 25.00 C ATOM 166 NZ LYS A 11 2.793 -11.319 -35.553 1.00 25.00 N ATOM 0 H LYS A 11 5.458 -8.503 -30.186 1.00 25.00 H new ATOM 0 HA LYS A 11 2.766 -9.448 -29.351 1.00 25.00 H new ATOM 0 HB2 LYS A 11 3.022 -8.587 -31.689 1.00 25.00 H new ATOM 0 HB3 LYS A 11 4.318 -9.735 -31.961 1.00 25.00 H new ATOM 0 HG2 LYS A 11 2.745 -11.617 -31.555 1.00 25.00 H new ATOM 0 HG3 LYS A 11 1.448 -10.476 -31.260 1.00 25.00 H new ATOM 0 HD2 LYS A 11 1.094 -11.087 -33.480 1.00 25.00 H new ATOM 0 HD3 LYS A 11 1.961 -9.572 -33.637 1.00 25.00 H new ATOM 0 HE2 LYS A 11 4.100 -10.807 -33.958 1.00 25.00 H new ATOM 0 HE3 LYS A 11 3.266 -12.333 -33.747 1.00 25.00 H new ATOM 0 HZ1 LYS A 11 3.541 -11.802 -36.090 1.00 25.00 H new ATOM 0 HZ2 LYS A 11 1.892 -11.820 -35.688 1.00 25.00 H new ATOM 0 HZ3 LYS A 11 2.700 -10.341 -35.893 1.00 25.00 H new ATOM 180 N ALA A 12 3.565 -11.780 -28.885 1.00 25.00 N ATOM 181 CA ALA A 12 4.053 -13.092 -28.522 1.00 25.00 C ATOM 182 C ALA A 12 4.191 -13.931 -29.803 1.00 25.00 C ATOM 183 O ALA A 12 3.275 -13.995 -30.630 1.00 25.00 O ATOM 184 CB ALA A 12 3.101 -13.751 -27.535 1.00 25.00 C ATOM 0 H ALA A 12 2.607 -11.590 -28.590 1.00 25.00 H new ATOM 0 HA ALA A 12 5.026 -13.012 -28.037 1.00 25.00 H new ATOM 0 HB1 ALA A 12 3.479 -14.738 -27.269 1.00 25.00 H new ATOM 0 HB2 ALA A 12 3.025 -13.137 -26.637 1.00 25.00 H new ATOM 0 HB3 ALA A 12 2.116 -13.850 -27.991 1.00 25.00 H new ATOM 190 N LEU A 13 5.341 -14.556 -29.971 1.00 25.00 N ATOM 191 CA LEU A 13 5.609 -15.388 -31.138 1.00 25.00 C ATOM 192 C LEU A 13 5.191 -16.808 -30.832 1.00 25.00 C ATOM 193 O LEU A 13 4.838 -17.566 -31.737 1.00 25.00 O ATOM 194 CB LEU A 13 7.108 -15.358 -31.477 1.00 25.00 C ATOM 195 CG LEU A 13 7.690 -14.041 -32.000 1.00 25.00 C ATOM 196 CD1 LEU A 13 9.206 -14.124 -32.025 1.00 25.00 C ATOM 197 CD2 LEU A 13 7.154 -13.765 -33.408 1.00 25.00 C ATOM 0 H LEU A 13 6.115 -14.505 -29.308 1.00 25.00 H new ATOM 0 HA LEU A 13 5.048 -15.007 -31.991 1.00 25.00 H new ATOM 0 HB2 LEU A 13 7.661 -15.637 -30.580 1.00 25.00 H new ATOM 0 HB3 LEU A 13 7.299 -16.130 -32.223 1.00 25.00 H new ATOM 0 HG LEU A 13 7.392 -13.226 -31.340 1.00 25.00 H new ATOM 0 HD11 LEU A 13 9.616 -13.185 -32.398 1.00 25.00 H new ATOM 0 HD12 LEU A 13 9.577 -14.307 -31.017 1.00 25.00 H new ATOM 0 HD13 LEU A 13 9.515 -14.940 -32.679 1.00 25.00 H new ATOM 0 HD21 LEU A 13 7.569 -12.828 -33.778 1.00 25.00 H new ATOM 0 HD22 LEU A 13 7.444 -14.578 -34.074 1.00 25.00 H new ATOM 0 HD23 LEU A 13 6.067 -13.693 -33.376 1.00 25.00 H new ATOM 209 N TYR A 14 5.218 -17.152 -29.552 1.00 25.00 N ATOM 210 CA TYR A 14 4.859 -18.491 -29.091 1.00 25.00 C ATOM 211 C TYR A 14 3.788 -18.337 -28.030 1.00 25.00 C ATOM 212 O TYR A 14 3.667 -17.282 -27.414 1.00 25.00 O ATOM 213 CB TYR A 14 6.072 -19.198 -28.464 1.00 25.00 C ATOM 214 CG TYR A 14 7.308 -19.201 -29.328 1.00 25.00 C ATOM 215 CD1 TYR A 14 7.625 -20.299 -30.148 1.00 25.00 C ATOM 216 CD2 TYR A 14 8.194 -18.106 -29.320 1.00 25.00 C ATOM 217 CE1 TYR A 14 8.812 -20.304 -30.948 1.00 25.00 C ATOM 218 CE2 TYR A 14 9.379 -18.103 -30.109 1.00 25.00 C ATOM 219 CZ TYR A 14 9.666 -19.206 -30.912 1.00 25.00 C ATOM 220 OH TYR A 14 10.812 -19.190 -31.688 1.00 25.00 O ATOM 0 H TYR A 14 5.488 -16.514 -28.803 1.00 25.00 H new ATOM 0 HA TYR A 14 4.510 -19.086 -29.935 1.00 25.00 H new ATOM 0 HB2 TYR A 14 6.308 -18.715 -27.516 1.00 25.00 H new ATOM 0 HB3 TYR A 14 5.799 -20.229 -28.238 1.00 25.00 H new ATOM 0 HD1 TYR A 14 6.963 -21.152 -30.174 1.00 25.00 H new ATOM 0 HD2 TYR A 14 7.969 -17.250 -28.702 1.00 25.00 H new ATOM 0 HE1 TYR A 14 9.043 -21.153 -31.574 1.00 25.00 H new ATOM 0 HE2 TYR A 14 10.048 -17.256 -30.086 1.00 25.00 H new ATOM 0 HH TYR A 14 11.293 -18.349 -31.543 1.00 25.00 H new ATOM 230 N ASP A 15 3.018 -19.389 -27.797 1.00 25.00 N ATOM 231 CA ASP A 15 2.031 -19.424 -26.723 1.00 25.00 C ATOM 232 C ASP A 15 2.735 -19.982 -25.501 1.00 25.00 C ATOM 233 O ASP A 15 3.797 -20.606 -25.624 1.00 25.00 O ATOM 234 CB ASP A 15 0.830 -20.304 -27.123 1.00 25.00 C ATOM 235 CG ASP A 15 1.246 -21.659 -27.715 1.00 25.00 C ATOM 236 OD1 ASP A 15 1.830 -21.684 -28.828 1.00 25.00 O ATOM 237 OD2 ASP A 15 0.851 -22.678 -27.140 1.00 25.00 O ATOM 0 H ASP A 15 3.058 -20.246 -28.348 1.00 25.00 H new ATOM 0 HA ASP A 15 1.638 -18.429 -26.516 1.00 25.00 H new ATOM 0 HB2 ASP A 15 0.204 -20.474 -26.247 1.00 25.00 H new ATOM 0 HB3 ASP A 15 0.221 -19.768 -27.851 1.00 25.00 H new ATOM 242 N ASN A 16 2.177 -19.744 -24.326 1.00 25.00 N ATOM 243 CA ASN A 16 2.743 -20.276 -23.103 1.00 25.00 C ATOM 244 C ASN A 16 1.635 -20.661 -22.141 1.00 25.00 C ATOM 245 O ASN A 16 0.482 -20.263 -22.305 1.00 25.00 O ATOM 246 CB ASN A 16 3.693 -19.250 -22.442 1.00 25.00 C ATOM 247 CG ASN A 16 2.993 -18.311 -21.455 1.00 25.00 C ATOM 248 OD1 ASN A 16 1.958 -17.740 -21.755 1.00 25.00 O ATOM 249 ND2 ASN A 16 3.573 -18.136 -20.296 1.00 25.00 N ATOM 0 H ASN A 16 1.333 -19.186 -24.196 1.00 25.00 H new ATOM 0 HA ASN A 16 3.323 -21.165 -23.352 1.00 25.00 H new ATOM 0 HB2 ASN A 16 4.486 -19.786 -21.920 1.00 25.00 H new ATOM 0 HB3 ASN A 16 4.169 -18.655 -23.221 1.00 25.00 H new ATOM 0 HD21 ASN A 16 3.160 -17.505 -19.609 1.00 25.00 H new ATOM 0 HD22 ASN A 16 4.438 -18.630 -20.079 1.00 25.00 H new ATOM 256 N VAL A 17 2.021 -21.380 -21.104 1.00 25.00 N ATOM 257 CA VAL A 17 1.123 -21.700 -20.002 1.00 25.00 C ATOM 258 C VAL A 17 1.896 -21.174 -18.804 1.00 25.00 C ATOM 259 O VAL A 17 3.045 -21.550 -18.619 1.00 25.00 O ATOM 260 CB VAL A 17 0.869 -23.238 -19.892 1.00 25.00 C ATOM 261 CG1 VAL A 17 -0.055 -23.550 -18.696 1.00 25.00 C ATOM 262 CG2 VAL A 17 0.239 -23.783 -21.186 1.00 25.00 C ATOM 0 H VAL A 17 2.962 -21.759 -20.998 1.00 25.00 H new ATOM 0 HA VAL A 17 0.128 -21.267 -20.108 1.00 25.00 H new ATOM 0 HB VAL A 17 1.832 -23.725 -19.737 1.00 25.00 H new ATOM 0 HG11 VAL A 17 -0.221 -24.626 -18.635 1.00 25.00 H new ATOM 0 HG12 VAL A 17 0.412 -23.202 -17.775 1.00 25.00 H new ATOM 0 HG13 VAL A 17 -1.010 -23.043 -18.832 1.00 25.00 H new ATOM 0 HG21 VAL A 17 0.072 -24.855 -21.086 1.00 25.00 H new ATOM 0 HG22 VAL A 17 -0.712 -23.282 -21.366 1.00 25.00 H new ATOM 0 HG23 VAL A 17 0.911 -23.598 -22.024 1.00 25.00 H new ATOM 272 N ALA A 18 1.312 -20.249 -18.067 1.00 25.00 N ATOM 273 CA ALA A 18 2.010 -19.662 -16.923 1.00 25.00 C ATOM 274 C ALA A 18 2.014 -20.682 -15.795 1.00 25.00 C ATOM 275 O ALA A 18 0.956 -21.158 -15.367 1.00 25.00 O ATOM 276 CB ALA A 18 1.324 -18.381 -16.481 1.00 25.00 C ATOM 0 H ALA A 18 0.372 -19.888 -18.230 1.00 25.00 H new ATOM 0 HA ALA A 18 3.033 -19.409 -17.200 1.00 25.00 H new ATOM 0 HB1 ALA A 18 1.857 -17.958 -15.629 1.00 25.00 H new ATOM 0 HB2 ALA A 18 1.327 -17.665 -17.303 1.00 25.00 H new ATOM 0 HB3 ALA A 18 0.296 -18.600 -16.194 1.00 25.00 H new ATOM 282 N GLU A 19 3.206 -21.034 -15.338 1.00 25.00 N ATOM 283 CA GLU A 19 3.354 -22.025 -14.272 1.00 25.00 C ATOM 284 C GLU A 19 3.695 -21.361 -12.940 1.00 25.00 C ATOM 285 O GLU A 19 3.438 -21.913 -11.869 1.00 25.00 O ATOM 286 CB GLU A 19 4.395 -23.076 -14.674 1.00 25.00 C ATOM 287 CG GLU A 19 5.818 -22.551 -14.888 1.00 25.00 C ATOM 288 CD GLU A 19 6.764 -23.609 -15.443 1.00 25.00 C ATOM 289 OE1 GLU A 19 6.509 -24.810 -15.228 1.00 25.00 O ATOM 290 OE2 GLU A 19 7.774 -23.242 -16.096 1.00 25.00 O ATOM 0 H GLU A 19 4.086 -20.652 -15.685 1.00 25.00 H new ATOM 0 HA GLU A 19 2.400 -22.533 -14.131 1.00 25.00 H new ATOM 0 HB2 GLU A 19 4.423 -23.846 -13.903 1.00 25.00 H new ATOM 0 HB3 GLU A 19 4.062 -23.557 -15.594 1.00 25.00 H new ATOM 0 HG2 GLU A 19 5.788 -21.703 -15.572 1.00 25.00 H new ATOM 0 HG3 GLU A 19 6.210 -22.182 -13.940 1.00 25.00 H new ATOM 297 N SER A 20 4.219 -20.148 -13.008 1.00 25.00 N ATOM 298 CA SER A 20 4.518 -19.373 -11.799 1.00 25.00 C ATOM 299 C SER A 20 3.421 -18.327 -11.612 1.00 25.00 C ATOM 300 O SER A 20 2.845 -17.854 -12.591 1.00 25.00 O ATOM 301 CB SER A 20 5.875 -18.671 -11.948 1.00 25.00 C ATOM 302 OG SER A 20 6.900 -19.628 -12.148 1.00 25.00 O ATOM 0 H SER A 20 4.448 -19.674 -13.881 1.00 25.00 H new ATOM 0 HA SER A 20 4.559 -20.037 -10.935 1.00 25.00 H new ATOM 0 HB2 SER A 20 5.844 -17.979 -12.789 1.00 25.00 H new ATOM 0 HB3 SER A 20 6.087 -18.080 -11.057 1.00 25.00 H new ATOM 0 HG SER A 20 7.761 -19.170 -12.244 1.00 25.00 H new ATOM 308 N PRO A 21 3.122 -17.933 -10.358 1.00 25.00 N ATOM 309 CA PRO A 21 2.069 -16.909 -10.231 1.00 25.00 C ATOM 310 C PRO A 21 2.497 -15.533 -10.740 1.00 25.00 C ATOM 311 O PRO A 21 1.661 -14.704 -11.076 1.00 25.00 O ATOM 312 CB PRO A 21 1.810 -16.867 -8.723 1.00 25.00 C ATOM 313 CG PRO A 21 3.107 -17.263 -8.117 1.00 25.00 C ATOM 314 CD PRO A 21 3.652 -18.333 -9.037 1.00 25.00 C ATOM 0 HA PRO A 21 1.194 -17.156 -10.831 1.00 25.00 H new ATOM 0 HB2 PRO A 21 1.507 -15.871 -8.399 1.00 25.00 H new ATOM 0 HB3 PRO A 21 1.012 -17.552 -8.437 1.00 25.00 H new ATOM 0 HG2 PRO A 21 3.788 -16.414 -8.050 1.00 25.00 H new ATOM 0 HG3 PRO A 21 2.971 -17.643 -7.105 1.00 25.00 H new ATOM 0 HD2 PRO A 21 4.742 -18.356 -9.029 1.00 25.00 H new ATOM 0 HD3 PRO A 21 3.310 -19.327 -8.748 1.00 25.00 H new ATOM 322 N ASP A 22 3.807 -15.314 -10.808 1.00 25.00 N ATOM 323 CA ASP A 22 4.371 -14.049 -11.254 1.00 25.00 C ATOM 324 C ASP A 22 4.497 -13.998 -12.780 1.00 25.00 C ATOM 325 O ASP A 22 4.854 -12.962 -13.342 1.00 25.00 O ATOM 326 CB ASP A 22 5.762 -13.895 -10.651 1.00 25.00 C ATOM 327 CG ASP A 22 5.756 -13.999 -9.137 1.00 25.00 C ATOM 328 OD1 ASP A 22 5.338 -13.046 -8.444 1.00 25.00 O ATOM 329 OD2 ASP A 22 6.131 -15.083 -8.644 1.00 25.00 O ATOM 0 H ASP A 22 4.507 -16.012 -10.554 1.00 25.00 H new ATOM 0 HA ASP A 22 3.707 -13.246 -10.933 1.00 25.00 H new ATOM 0 HB2 ASP A 22 6.419 -14.662 -11.062 1.00 25.00 H new ATOM 0 HB3 ASP A 22 6.176 -12.930 -10.944 1.00 25.00 H new ATOM 334 N GLU A 23 4.249 -15.118 -13.442 1.00 25.00 N ATOM 335 CA GLU A 23 4.387 -15.214 -14.894 1.00 25.00 C ATOM 336 C GLU A 23 3.079 -14.858 -15.580 1.00 25.00 C ATOM 337 O GLU A 23 2.006 -15.225 -15.111 1.00 25.00 O ATOM 338 CB GLU A 23 4.799 -16.643 -15.270 1.00 25.00 C ATOM 339 CG GLU A 23 5.264 -16.776 -16.712 1.00 25.00 C ATOM 340 CD GLU A 23 5.593 -18.216 -17.104 1.00 25.00 C ATOM 341 OE1 GLU A 23 5.278 -19.137 -16.325 1.00 25.00 O ATOM 342 OE2 GLU A 23 6.121 -18.413 -18.220 1.00 25.00 O ATOM 0 H GLU A 23 3.948 -15.984 -12.994 1.00 25.00 H new ATOM 0 HA GLU A 23 5.152 -14.511 -15.224 1.00 25.00 H new ATOM 0 HB2 GLU A 23 5.599 -16.969 -14.606 1.00 25.00 H new ATOM 0 HB3 GLU A 23 3.955 -17.312 -15.105 1.00 25.00 H new ATOM 0 HG2 GLU A 23 4.488 -16.393 -17.375 1.00 25.00 H new ATOM 0 HG3 GLU A 23 6.146 -16.154 -16.862 1.00 25.00 H new ATOM 349 N LEU A 24 3.147 -14.151 -16.693 1.00 25.00 N ATOM 350 CA LEU A 24 1.937 -13.804 -17.421 1.00 25.00 C ATOM 351 C LEU A 24 1.527 -14.934 -18.364 1.00 25.00 C ATOM 352 O LEU A 24 2.358 -15.506 -19.054 1.00 25.00 O ATOM 353 CB LEU A 24 2.149 -12.521 -18.224 1.00 25.00 C ATOM 354 CG LEU A 24 1.454 -11.270 -17.675 1.00 25.00 C ATOM 355 CD1 LEU A 24 1.910 -10.068 -18.483 1.00 25.00 C ATOM 356 CD2 LEU A 24 -0.076 -11.407 -17.740 1.00 25.00 C ATOM 0 H LEU A 24 4.013 -13.809 -17.109 1.00 25.00 H new ATOM 0 HA LEU A 24 1.141 -13.647 -16.693 1.00 25.00 H new ATOM 0 HB2 LEU A 24 3.219 -12.323 -18.282 1.00 25.00 H new ATOM 0 HB3 LEU A 24 1.800 -12.690 -19.243 1.00 25.00 H new ATOM 0 HG LEU A 24 1.725 -11.142 -16.627 1.00 25.00 H new ATOM 0 HD11 LEU A 24 1.424 -9.169 -18.104 1.00 25.00 H new ATOM 0 HD12 LEU A 24 2.991 -9.960 -18.396 1.00 25.00 H new ATOM 0 HD13 LEU A 24 1.643 -10.211 -19.530 1.00 25.00 H new ATOM 0 HD21 LEU A 24 -0.539 -10.504 -17.343 1.00 25.00 H new ATOM 0 HD22 LEU A 24 -0.385 -11.549 -18.776 1.00 25.00 H new ATOM 0 HD23 LEU A 24 -0.390 -12.266 -17.147 1.00 25.00 H new ATOM 368 N SER A 25 0.229 -15.208 -18.402 1.00 25.00 N ATOM 369 CA SER A 25 -0.336 -16.206 -19.321 1.00 25.00 C ATOM 370 C SER A 25 -0.741 -15.490 -20.596 1.00 25.00 C ATOM 371 O SER A 25 -1.583 -14.602 -20.566 1.00 25.00 O ATOM 372 CB SER A 25 -1.568 -16.885 -18.694 1.00 25.00 C ATOM 373 OG SER A 25 -2.115 -17.885 -19.549 1.00 25.00 O ATOM 0 H SER A 25 -0.462 -14.753 -17.805 1.00 25.00 H new ATOM 0 HA SER A 25 0.405 -16.977 -19.530 1.00 25.00 H new ATOM 0 HB2 SER A 25 -1.289 -17.335 -17.741 1.00 25.00 H new ATOM 0 HB3 SER A 25 -2.328 -16.133 -18.481 1.00 25.00 H new ATOM 0 HG SER A 25 -2.894 -18.295 -19.117 1.00 25.00 H new ATOM 379 N PHE A 26 -0.138 -15.861 -21.717 1.00 25.00 N ATOM 380 CA PHE A 26 -0.398 -15.233 -23.008 1.00 25.00 C ATOM 381 C PHE A 26 -0.394 -16.308 -24.097 1.00 25.00 C ATOM 382 O PHE A 26 -0.066 -17.466 -23.842 1.00 25.00 O ATOM 383 CB PHE A 26 0.672 -14.174 -23.303 1.00 25.00 C ATOM 384 CG PHE A 26 2.076 -14.709 -23.285 1.00 25.00 C ATOM 385 CD1 PHE A 26 2.865 -14.614 -22.116 1.00 25.00 C ATOM 386 CD2 PHE A 26 2.633 -15.306 -24.435 1.00 25.00 C ATOM 387 CE1 PHE A 26 4.178 -15.125 -22.092 1.00 25.00 C ATOM 388 CE2 PHE A 26 3.956 -15.815 -24.420 1.00 25.00 C ATOM 389 CZ PHE A 26 4.725 -15.719 -23.246 1.00 25.00 C ATOM 0 H PHE A 26 0.551 -16.612 -21.758 1.00 25.00 H new ATOM 0 HA PHE A 26 -1.371 -14.743 -22.987 1.00 25.00 H new ATOM 0 HB2 PHE A 26 0.474 -13.733 -24.280 1.00 25.00 H new ATOM 0 HB3 PHE A 26 0.589 -13.373 -22.569 1.00 25.00 H new ATOM 0 HD1 PHE A 26 2.457 -14.145 -21.233 1.00 25.00 H new ATOM 0 HD2 PHE A 26 2.045 -15.376 -25.338 1.00 25.00 H new ATOM 0 HE1 PHE A 26 4.765 -15.061 -21.188 1.00 25.00 H new ATOM 0 HE2 PHE A 26 4.371 -16.274 -25.305 1.00 25.00 H new ATOM 0 HZ PHE A 26 5.735 -16.101 -23.230 1.00 25.00 H new ATOM 399 N ARG A 27 -0.797 -15.941 -25.306 1.00 25.00 N ATOM 400 CA ARG A 27 -0.857 -16.903 -26.419 1.00 25.00 C ATOM 401 C ARG A 27 -0.153 -16.306 -27.637 1.00 25.00 C ATOM 402 O ARG A 27 0.000 -15.106 -27.723 1.00 25.00 O ATOM 403 CB ARG A 27 -2.316 -17.260 -26.716 1.00 25.00 C ATOM 404 CG ARG A 27 -3.027 -17.863 -25.498 1.00 25.00 C ATOM 405 CD ARG A 27 -4.357 -18.442 -25.875 1.00 25.00 C ATOM 406 NE ARG A 27 -5.103 -18.877 -24.690 1.00 25.00 N ATOM 407 CZ ARG A 27 -6.366 -19.290 -24.678 1.00 25.00 C ATOM 408 NH1 ARG A 27 -7.101 -19.343 -25.766 1.00 25.00 N ATOM 409 NH2 ARG A 27 -6.895 -19.634 -23.547 1.00 25.00 N ATOM 0 H ARG A 27 -1.087 -14.994 -25.549 1.00 25.00 H new ATOM 0 HA ARG A 27 -0.343 -17.826 -26.151 1.00 25.00 H new ATOM 0 HB2 ARG A 27 -2.848 -16.365 -27.039 1.00 25.00 H new ATOM 0 HB3 ARG A 27 -2.353 -17.969 -27.543 1.00 25.00 H new ATOM 0 HG2 ARG A 27 -2.402 -18.639 -25.057 1.00 25.00 H new ATOM 0 HG3 ARG A 27 -3.165 -17.094 -24.737 1.00 25.00 H new ATOM 0 HD2 ARG A 27 -4.938 -17.699 -26.421 1.00 25.00 H new ATOM 0 HD3 ARG A 27 -4.211 -19.288 -26.546 1.00 25.00 H new ATOM 0 HE ARG A 27 -4.610 -18.861 -23.797 1.00 25.00 H new ATOM 0 HH11 ARG A 27 -6.706 -19.061 -26.663 1.00 25.00 H new ATOM 0 HH12 ARG A 27 -8.067 -19.666 -25.714 1.00 25.00 H new ATOM 0 HH21 ARG A 27 -6.344 -19.585 -22.690 1.00 25.00 H new ATOM 0 HH22 ARG A 27 -7.863 -19.954 -23.513 1.00 25.00 H new ATOM 423 N LYS A 28 0.287 -17.145 -28.566 1.00 25.00 N ATOM 424 CA LYS A 28 0.956 -16.636 -29.762 1.00 25.00 C ATOM 425 C LYS A 28 0.001 -15.698 -30.509 1.00 25.00 C ATOM 426 O LYS A 28 -1.161 -16.021 -30.742 1.00 25.00 O ATOM 427 CB LYS A 28 1.455 -17.779 -30.651 1.00 25.00 C ATOM 428 CG LYS A 28 0.388 -18.726 -31.181 1.00 25.00 C ATOM 429 CD LYS A 28 1.058 -19.952 -31.800 1.00 25.00 C ATOM 430 CE LYS A 28 0.035 -20.948 -32.345 1.00 25.00 C ATOM 431 NZ LYS A 28 -0.595 -20.418 -33.608 1.00 25.00 N ATOM 0 H LYS A 28 0.197 -18.160 -28.520 1.00 25.00 H new ATOM 0 HA LYS A 28 1.841 -16.070 -29.469 1.00 25.00 H new ATOM 0 HB2 LYS A 28 1.984 -17.348 -31.501 1.00 25.00 H new ATOM 0 HB3 LYS A 28 2.182 -18.362 -30.085 1.00 25.00 H new ATOM 0 HG2 LYS A 28 -0.277 -19.031 -30.373 1.00 25.00 H new ATOM 0 HG3 LYS A 28 -0.226 -18.219 -31.925 1.00 25.00 H new ATOM 0 HD2 LYS A 28 1.721 -19.635 -32.605 1.00 25.00 H new ATOM 0 HD3 LYS A 28 1.679 -20.443 -31.051 1.00 25.00 H new ATOM 0 HE2 LYS A 28 0.520 -21.903 -32.546 1.00 25.00 H new ATOM 0 HE3 LYS A 28 -0.736 -21.133 -31.597 1.00 25.00 H new ATOM 0 HZ1 LYS A 28 -1.263 -21.121 -33.984 1.00 25.00 H new ATOM 0 HZ2 LYS A 28 -1.103 -19.535 -33.398 1.00 25.00 H new ATOM 0 HZ3 LYS A 28 0.146 -20.232 -34.314 1.00 25.00 H new ATOM 445 N GLY A 29 0.503 -14.516 -30.838 1.00 25.00 N ATOM 446 CA GLY A 29 -0.299 -13.497 -31.483 1.00 25.00 C ATOM 447 C GLY A 29 -0.747 -12.396 -30.536 1.00 25.00 C ATOM 448 O GLY A 29 -1.061 -11.305 -30.989 1.00 25.00 O ATOM 0 H GLY A 29 1.470 -14.242 -30.665 1.00 25.00 H new ATOM 0 HA2 GLY A 29 0.274 -13.055 -32.298 1.00 25.00 H new ATOM 0 HA3 GLY A 29 -1.178 -13.964 -31.928 1.00 25.00 H new ATOM 452 N ASP A 30 -0.751 -12.666 -29.239 1.00 25.00 N ATOM 453 CA ASP A 30 -1.196 -11.688 -28.241 1.00 25.00 C ATOM 454 C ASP A 30 -0.245 -10.479 -28.194 1.00 25.00 C ATOM 455 O ASP A 30 0.961 -10.605 -28.471 1.00 25.00 O ATOM 456 CB ASP A 30 -1.281 -12.357 -26.870 1.00 25.00 C ATOM 457 CG ASP A 30 -2.322 -11.734 -25.974 1.00 25.00 C ATOM 458 OD1 ASP A 30 -2.708 -12.422 -25.003 1.00 25.00 O ATOM 459 OD2 ASP A 30 -2.797 -10.612 -26.262 1.00 25.00 O ATOM 0 H ASP A 30 -0.450 -13.558 -28.845 1.00 25.00 H new ATOM 0 HA ASP A 30 -2.184 -11.324 -28.523 1.00 25.00 H new ATOM 0 HB2 ASP A 30 -1.509 -13.415 -27.001 1.00 25.00 H new ATOM 0 HB3 ASP A 30 -0.308 -12.299 -26.382 1.00 25.00 H new ATOM 464 N ILE A 31 -0.793 -9.317 -27.863 1.00 25.00 N ATOM 465 CA ILE A 31 -0.051 -8.050 -27.848 1.00 25.00 C ATOM 466 C ILE A 31 0.030 -7.555 -26.408 1.00 25.00 C ATOM 467 O ILE A 31 -0.992 -7.429 -25.738 1.00 25.00 O ATOM 468 CB ILE A 31 -0.780 -6.951 -28.699 1.00 25.00 C ATOM 469 CG1 ILE A 31 -1.095 -7.466 -30.123 1.00 25.00 C ATOM 470 CG2 ILE A 31 0.076 -5.667 -28.770 1.00 25.00 C ATOM 471 CD1 ILE A 31 0.114 -7.829 -30.974 1.00 25.00 C ATOM 0 H ILE A 31 -1.772 -9.220 -27.594 1.00 25.00 H new ATOM 0 HA ILE A 31 0.938 -8.225 -28.271 1.00 25.00 H new ATOM 0 HB ILE A 31 -1.724 -6.717 -28.207 1.00 25.00 H new ATOM 0 HG12 ILE A 31 -1.735 -8.345 -30.039 1.00 25.00 H new ATOM 0 HG13 ILE A 31 -1.670 -6.702 -30.647 1.00 25.00 H new ATOM 0 HG21 ILE A 31 -0.444 -4.915 -29.364 1.00 25.00 H new ATOM 0 HG22 ILE A 31 0.241 -5.284 -27.763 1.00 25.00 H new ATOM 0 HG23 ILE A 31 1.036 -5.895 -29.233 1.00 25.00 H new ATOM 0 HD11 ILE A 31 -0.220 -8.178 -31.951 1.00 25.00 H new ATOM 0 HD12 ILE A 31 0.748 -6.951 -31.099 1.00 25.00 H new ATOM 0 HD13 ILE A 31 0.682 -8.619 -30.482 1.00 25.00 H new ATOM 483 N MET A 32 1.227 -7.251 -25.941 1.00 25.00 N ATOM 484 CA MET A 32 1.400 -6.789 -24.564 1.00 25.00 C ATOM 485 C MET A 32 2.380 -5.640 -24.514 1.00 25.00 C ATOM 486 O MET A 32 3.320 -5.575 -25.312 1.00 25.00 O ATOM 487 CB MET A 32 1.880 -7.952 -23.689 1.00 25.00 C ATOM 488 CG MET A 32 3.201 -8.579 -24.147 1.00 25.00 C ATOM 489 SD MET A 32 3.352 -10.263 -23.575 1.00 25.00 S ATOM 490 CE MET A 32 2.243 -11.136 -24.736 1.00 25.00 C ATOM 0 H MET A 32 2.089 -7.312 -26.483 1.00 25.00 H new ATOM 0 HA MET A 32 0.444 -6.433 -24.181 1.00 25.00 H new ATOM 0 HB2 MET A 32 1.995 -7.598 -22.665 1.00 25.00 H new ATOM 0 HB3 MET A 32 1.110 -8.723 -23.675 1.00 25.00 H new ATOM 0 HG2 MET A 32 3.259 -8.556 -25.235 1.00 25.00 H new ATOM 0 HG3 MET A 32 4.036 -7.988 -23.770 1.00 25.00 H new ATOM 0 HE1 MET A 32 2.395 -12.212 -24.645 1.00 25.00 H new ATOM 0 HE2 MET A 32 1.207 -10.894 -24.500 1.00 25.00 H new ATOM 0 HE3 MET A 32 2.466 -10.824 -25.756 1.00 25.00 H new ATOM 500 N THR A 33 2.158 -4.736 -23.574 1.00 25.00 N ATOM 501 CA THR A 33 3.048 -3.593 -23.373 1.00 25.00 C ATOM 502 C THR A 33 4.196 -4.045 -22.488 1.00 25.00 C ATOM 503 O THR A 33 3.978 -4.644 -21.450 1.00 25.00 O ATOM 504 CB THR A 33 2.291 -2.419 -22.700 1.00 25.00 C ATOM 505 OG1 THR A 33 1.129 -2.121 -23.479 1.00 25.00 O ATOM 506 CG2 THR A 33 3.146 -1.159 -22.605 1.00 25.00 C ATOM 0 H THR A 33 1.366 -4.768 -22.932 1.00 25.00 H new ATOM 0 HA THR A 33 3.421 -3.241 -24.335 1.00 25.00 H new ATOM 0 HB THR A 33 2.030 -2.725 -21.687 1.00 25.00 H new ATOM 0 HG1 THR A 33 0.638 -1.381 -23.065 1.00 25.00 H new ATOM 0 HG21 THR A 33 2.572 -0.365 -22.127 1.00 25.00 H new ATOM 0 HG22 THR A 33 4.038 -1.368 -22.015 1.00 25.00 H new ATOM 0 HG23 THR A 33 3.439 -0.842 -23.606 1.00 25.00 H new ATOM 514 N VAL A 34 5.412 -3.748 -22.903 1.00 25.00 N ATOM 515 CA VAL A 34 6.604 -4.064 -22.101 1.00 25.00 C ATOM 516 C VAL A 34 6.956 -2.818 -21.298 1.00 25.00 C ATOM 517 O VAL A 34 7.112 -1.706 -21.858 1.00 25.00 O ATOM 518 CB VAL A 34 7.820 -4.467 -22.980 1.00 25.00 C ATOM 519 CG1 VAL A 34 9.094 -4.684 -22.116 1.00 25.00 C ATOM 520 CG2 VAL A 34 7.502 -5.768 -23.770 1.00 25.00 C ATOM 0 H VAL A 34 5.613 -3.288 -23.791 1.00 25.00 H new ATOM 0 HA VAL A 34 6.380 -4.915 -21.458 1.00 25.00 H new ATOM 0 HB VAL A 34 8.011 -3.652 -23.678 1.00 25.00 H new ATOM 0 HG11 VAL A 34 9.927 -4.965 -22.760 1.00 25.00 H new ATOM 0 HG12 VAL A 34 9.338 -3.761 -21.589 1.00 25.00 H new ATOM 0 HG13 VAL A 34 8.912 -5.478 -21.392 1.00 25.00 H new ATOM 0 HG21 VAL A 34 8.361 -6.041 -24.383 1.00 25.00 H new ATOM 0 HG22 VAL A 34 7.284 -6.575 -23.070 1.00 25.00 H new ATOM 0 HG23 VAL A 34 6.637 -5.602 -24.412 1.00 25.00 H new ATOM 530 N LEU A 35 7.066 -2.993 -19.986 1.00 25.00 N ATOM 531 CA LEU A 35 7.333 -1.884 -19.086 1.00 25.00 C ATOM 532 C LEU A 35 8.780 -1.836 -18.650 1.00 25.00 C ATOM 533 O LEU A 35 9.351 -0.759 -18.502 1.00 25.00 O ATOM 534 CB LEU A 35 6.451 -1.996 -17.837 1.00 25.00 C ATOM 535 CG LEU A 35 4.931 -1.882 -18.050 1.00 25.00 C ATOM 536 CD1 LEU A 35 4.220 -2.196 -16.745 1.00 25.00 C ATOM 537 CD2 LEU A 35 4.529 -0.475 -18.536 1.00 25.00 C ATOM 0 H LEU A 35 6.973 -3.897 -19.523 1.00 25.00 H new ATOM 0 HA LEU A 35 7.108 -0.970 -19.635 1.00 25.00 H new ATOM 0 HB2 LEU A 35 6.657 -2.955 -17.360 1.00 25.00 H new ATOM 0 HB3 LEU A 35 6.755 -1.219 -17.135 1.00 25.00 H new ATOM 0 HG LEU A 35 4.639 -2.595 -18.821 1.00 25.00 H new ATOM 0 HD11 LEU A 35 3.143 -2.117 -16.890 1.00 25.00 H new ATOM 0 HD12 LEU A 35 4.470 -3.209 -16.429 1.00 25.00 H new ATOM 0 HD13 LEU A 35 4.536 -1.488 -15.979 1.00 25.00 H new ATOM 0 HD21 LEU A 35 3.449 -0.433 -18.675 1.00 25.00 H new ATOM 0 HD22 LEU A 35 4.828 0.265 -17.794 1.00 25.00 H new ATOM 0 HD23 LEU A 35 5.025 -0.261 -19.483 1.00 25.00 H new ATOM 549 N GLU A 36 9.346 -3.004 -18.407 1.00 25.00 N ATOM 550 CA GLU A 36 10.697 -3.107 -17.866 1.00 25.00 C ATOM 551 C GLU A 36 11.373 -4.345 -18.446 1.00 25.00 C ATOM 552 O GLU A 36 10.687 -5.233 -18.949 1.00 25.00 O ATOM 553 CB GLU A 36 10.616 -3.197 -16.332 1.00 25.00 C ATOM 554 CG GLU A 36 11.929 -2.980 -15.608 1.00 25.00 C ATOM 555 CD GLU A 36 12.602 -1.691 -16.057 1.00 25.00 C ATOM 556 OE1 GLU A 36 13.401 -1.759 -17.013 1.00 25.00 O ATOM 557 OE2 GLU A 36 12.251 -0.611 -15.538 1.00 25.00 O ATOM 0 H GLU A 36 8.892 -3.901 -18.575 1.00 25.00 H new ATOM 0 HA GLU A 36 11.285 -2.229 -18.136 1.00 25.00 H new ATOM 0 HB2 GLU A 36 9.896 -2.459 -15.977 1.00 25.00 H new ATOM 0 HB3 GLU A 36 10.227 -4.178 -16.061 1.00 25.00 H new ATOM 0 HG2 GLU A 36 11.752 -2.945 -14.533 1.00 25.00 H new ATOM 0 HG3 GLU A 36 12.593 -3.824 -15.795 1.00 25.00 H new ATOM 564 N ARG A 37 12.693 -4.413 -18.379 1.00 25.00 N ATOM 565 CA ARG A 37 13.431 -5.587 -18.865 1.00 25.00 C ATOM 566 C ARG A 37 14.319 -6.104 -17.762 1.00 25.00 C ATOM 567 O ARG A 37 14.744 -5.333 -16.924 1.00 25.00 O ATOM 568 CB ARG A 37 14.306 -5.245 -20.065 1.00 25.00 C ATOM 569 CG ARG A 37 13.531 -4.792 -21.281 1.00 25.00 C ATOM 570 CD ARG A 37 14.432 -4.835 -22.512 1.00 25.00 C ATOM 571 NE ARG A 37 15.660 -4.044 -22.304 1.00 25.00 N ATOM 572 CZ ARG A 37 15.805 -2.757 -22.596 1.00 25.00 C ATOM 573 NH1 ARG A 37 14.843 -2.048 -23.135 1.00 25.00 N ATOM 574 NH2 ARG A 37 16.932 -2.180 -22.328 1.00 25.00 N ATOM 0 H ARG A 37 13.282 -3.674 -17.995 1.00 25.00 H new ATOM 0 HA ARG A 37 12.702 -6.338 -19.169 1.00 25.00 H new ATOM 0 HB2 ARG A 37 15.006 -4.460 -19.779 1.00 25.00 H new ATOM 0 HB3 ARG A 37 14.900 -6.120 -20.330 1.00 25.00 H new ATOM 0 HG2 ARG A 37 12.663 -5.435 -21.431 1.00 25.00 H new ATOM 0 HG3 ARG A 37 13.156 -3.780 -21.129 1.00 25.00 H new ATOM 0 HD2 ARG A 37 14.696 -5.868 -22.736 1.00 25.00 H new ATOM 0 HD3 ARG A 37 13.890 -4.450 -23.376 1.00 25.00 H new ATOM 0 HE ARG A 37 16.464 -4.526 -21.903 1.00 25.00 H new ATOM 0 HH11 ARG A 37 13.945 -2.483 -23.344 1.00 25.00 H new ATOM 0 HH12 ARG A 37 14.993 -1.061 -23.345 1.00 25.00 H new ATOM 0 HH21 ARG A 37 17.689 -2.713 -21.900 1.00 25.00 H new ATOM 0 HH22 ARG A 37 17.063 -1.192 -22.545 1.00 25.00 H new ATOM 588 N ASP A 38 14.563 -7.410 -17.782 1.00 25.00 N ATOM 589 CA ASP A 38 15.441 -8.082 -16.819 1.00 25.00 C ATOM 590 C ASP A 38 14.969 -7.751 -15.405 1.00 25.00 C ATOM 591 O ASP A 38 15.732 -7.528 -14.472 1.00 25.00 O ATOM 592 CB ASP A 38 16.895 -7.682 -17.109 1.00 25.00 C ATOM 593 CG ASP A 38 17.218 -7.767 -18.608 1.00 25.00 C ATOM 594 OD1 ASP A 38 16.814 -8.767 -19.244 1.00 25.00 O ATOM 595 OD2 ASP A 38 17.700 -6.772 -19.184 1.00 25.00 O ATOM 0 H ASP A 38 14.155 -8.041 -18.472 1.00 25.00 H new ATOM 0 HA ASP A 38 15.396 -9.167 -16.912 1.00 25.00 H new ATOM 0 HB2 ASP A 38 17.071 -6.666 -16.756 1.00 25.00 H new ATOM 0 HB3 ASP A 38 17.570 -8.334 -16.554 1.00 25.00 H new ATOM 600 N THR A 39 13.649 -7.687 -15.305 1.00 25.00 N ATOM 601 CA THR A 39 12.951 -7.164 -14.126 1.00 25.00 C ATOM 602 C THR A 39 13.062 -8.047 -12.894 1.00 25.00 C ATOM 603 O THR A 39 12.709 -7.627 -11.790 1.00 25.00 O ATOM 604 CB THR A 39 11.438 -6.997 -14.465 1.00 25.00 C ATOM 605 OG1 THR A 39 10.784 -6.266 -13.428 1.00 25.00 O ATOM 606 CG2 THR A 39 10.743 -8.364 -14.632 1.00 25.00 C ATOM 0 H THR A 39 13.020 -7.999 -16.045 1.00 25.00 H new ATOM 0 HA THR A 39 13.432 -6.216 -13.885 1.00 25.00 H new ATOM 0 HB THR A 39 11.369 -6.454 -15.408 1.00 25.00 H new ATOM 0 HG1 THR A 39 11.158 -6.525 -12.560 1.00 25.00 H new ATOM 0 HG21 THR A 39 9.690 -8.210 -14.868 1.00 25.00 H new ATOM 0 HG22 THR A 39 11.219 -8.918 -15.441 1.00 25.00 H new ATOM 0 HG23 THR A 39 10.828 -8.931 -13.705 1.00 25.00 H new ATOM 614 N GLN A 40 13.532 -9.272 -13.088 1.00 25.00 N ATOM 615 CA GLN A 40 13.677 -10.238 -12.000 1.00 25.00 C ATOM 616 C GLN A 40 15.150 -10.526 -11.781 1.00 25.00 C ATOM 617 O GLN A 40 15.508 -11.457 -11.082 1.00 25.00 O ATOM 618 CB GLN A 40 12.929 -11.533 -12.367 1.00 25.00 C ATOM 619 CG GLN A 40 11.772 -11.859 -11.427 1.00 25.00 C ATOM 620 CD GLN A 40 12.233 -12.272 -10.042 1.00 25.00 C ATOM 621 OE1 GLN A 40 12.501 -11.437 -9.191 1.00 25.00 O ATOM 622 NE2 GLN A 40 12.326 -13.556 -9.817 1.00 25.00 N ATOM 0 H GLN A 40 13.823 -9.626 -13.999 1.00 25.00 H new ATOM 0 HA GLN A 40 13.254 -9.832 -11.081 1.00 25.00 H new ATOM 0 HB2 GLN A 40 12.546 -11.446 -13.384 1.00 25.00 H new ATOM 0 HB3 GLN A 40 13.635 -12.364 -12.362 1.00 25.00 H new ATOM 0 HG2 GLN A 40 11.123 -10.988 -11.343 1.00 25.00 H new ATOM 0 HG3 GLN A 40 11.174 -12.661 -11.860 1.00 25.00 H new ATOM 0 HE21 GLN A 40 12.093 -14.221 -10.554 1.00 25.00 H new ATOM 0 HE22 GLN A 40 12.632 -13.893 -8.904 1.00 25.00 H new ATOM 631 N GLY A 41 16.005 -9.763 -12.462 1.00 25.00 N ATOM 632 CA GLY A 41 17.436 -10.020 -12.436 1.00 25.00 C ATOM 633 C GLY A 41 17.805 -11.125 -13.409 1.00 25.00 C ATOM 634 O GLY A 41 18.966 -11.262 -13.791 1.00 25.00 O ATOM 0 H GLY A 41 15.728 -8.966 -13.035 1.00 25.00 H new ATOM 0 HA2 GLY A 41 17.978 -9.109 -12.691 1.00 25.00 H new ATOM 0 HA3 GLY A 41 17.741 -10.301 -11.428 1.00 25.00 H new ATOM 638 N LEU A 42 16.812 -11.898 -13.831 1.00 25.00 N ATOM 639 CA LEU A 42 17.016 -12.963 -14.797 1.00 25.00 C ATOM 640 C LEU A 42 17.090 -12.319 -16.173 1.00 25.00 C ATOM 641 O LEU A 42 16.197 -11.566 -16.553 1.00 25.00 O ATOM 642 CB LEU A 42 15.856 -13.951 -14.754 1.00 25.00 C ATOM 643 CG LEU A 42 15.663 -14.703 -13.429 1.00 25.00 C ATOM 644 CD1 LEU A 42 14.354 -15.488 -13.498 1.00 25.00 C ATOM 645 CD2 LEU A 42 16.834 -15.658 -13.134 1.00 25.00 C ATOM 0 H LEU A 42 15.848 -11.803 -13.513 1.00 25.00 H new ATOM 0 HA LEU A 42 17.932 -13.509 -14.570 1.00 25.00 H new ATOM 0 HB2 LEU A 42 14.936 -13.412 -14.980 1.00 25.00 H new ATOM 0 HB3 LEU A 42 15.999 -14.684 -15.548 1.00 25.00 H new ATOM 0 HG LEU A 42 15.630 -13.974 -12.619 1.00 25.00 H new ATOM 0 HD11 LEU A 42 14.204 -16.028 -12.563 1.00 25.00 H new ATOM 0 HD12 LEU A 42 13.524 -14.799 -13.657 1.00 25.00 H new ATOM 0 HD13 LEU A 42 14.399 -16.198 -14.324 1.00 25.00 H new ATOM 0 HD21 LEU A 42 16.657 -16.169 -12.188 1.00 25.00 H new ATOM 0 HD22 LEU A 42 16.914 -16.393 -13.935 1.00 25.00 H new ATOM 0 HD23 LEU A 42 17.761 -15.088 -13.070 1.00 25.00 H new ATOM 657 N ASP A 43 18.147 -12.622 -16.902 1.00 25.00 N ATOM 658 CA ASP A 43 18.352 -12.042 -18.229 1.00 25.00 C ATOM 659 C ASP A 43 17.232 -12.464 -19.174 1.00 25.00 C ATOM 660 O ASP A 43 16.827 -13.628 -19.221 1.00 25.00 O ATOM 661 CB ASP A 43 19.702 -12.500 -18.803 1.00 25.00 C ATOM 662 CG ASP A 43 19.969 -11.907 -20.173 1.00 25.00 C ATOM 663 OD1 ASP A 43 19.574 -12.529 -21.183 1.00 25.00 O ATOM 664 OD2 ASP A 43 20.581 -10.815 -20.238 1.00 25.00 O ATOM 0 H ASP A 43 18.880 -13.265 -16.604 1.00 25.00 H new ATOM 0 HA ASP A 43 18.348 -10.956 -18.133 1.00 25.00 H new ATOM 0 HB2 ASP A 43 20.502 -12.212 -18.121 1.00 25.00 H new ATOM 0 HB3 ASP A 43 19.717 -13.588 -18.870 1.00 25.00 H new ATOM 669 N GLY A 44 16.727 -11.501 -19.921 1.00 25.00 N ATOM 670 CA GLY A 44 15.716 -11.767 -20.918 1.00 25.00 C ATOM 671 C GLY A 44 14.307 -11.857 -20.383 1.00 25.00 C ATOM 672 O GLY A 44 13.379 -12.048 -21.167 1.00 25.00 O ATOM 0 H GLY A 44 17.005 -10.522 -19.853 1.00 25.00 H new ATOM 0 HA2 GLY A 44 15.754 -10.981 -21.672 1.00 25.00 H new ATOM 0 HA3 GLY A 44 15.959 -12.703 -21.421 1.00 25.00 H new ATOM 676 N TRP A 45 14.096 -11.694 -19.083 1.00 25.00 N ATOM 677 CA TRP A 45 12.738 -11.756 -18.525 1.00 25.00 C ATOM 678 C TRP A 45 12.176 -10.364 -18.341 1.00 25.00 C ATOM 679 O TRP A 45 12.604 -9.601 -17.474 1.00 25.00 O ATOM 680 CB TRP A 45 12.731 -12.534 -17.224 1.00 25.00 C ATOM 681 CG TRP A 45 12.926 -13.984 -17.484 1.00 25.00 C ATOM 682 CD1 TRP A 45 14.104 -14.635 -17.654 1.00 25.00 C ATOM 683 CD2 TRP A 45 11.909 -14.990 -17.652 1.00 25.00 C ATOM 684 NE1 TRP A 45 13.917 -15.960 -17.890 1.00 25.00 N ATOM 685 CE2 TRP A 45 12.578 -16.226 -17.910 1.00 25.00 C ATOM 686 CE3 TRP A 45 10.501 -14.974 -17.612 1.00 25.00 C ATOM 687 CZ2 TRP A 45 11.883 -17.436 -18.132 1.00 25.00 C ATOM 688 CZ3 TRP A 45 9.789 -16.199 -17.824 1.00 25.00 C ATOM 689 CH2 TRP A 45 10.503 -17.414 -18.083 1.00 25.00 C ATOM 0 H TRP A 45 14.832 -11.520 -18.398 1.00 25.00 H new ATOM 0 HA TRP A 45 12.095 -12.283 -19.229 1.00 25.00 H new ATOM 0 HB2 TRP A 45 13.521 -12.166 -16.569 1.00 25.00 H new ATOM 0 HB3 TRP A 45 11.786 -12.376 -16.704 1.00 25.00 H new ATOM 0 HD1 TRP A 45 15.072 -14.158 -17.607 1.00 25.00 H new ATOM 0 HE1 TRP A 45 14.659 -16.646 -18.030 1.00 25.00 H new ATOM 0 HE3 TRP A 45 9.967 -14.054 -17.425 1.00 25.00 H new ATOM 0 HZ2 TRP A 45 12.416 -18.353 -18.334 1.00 25.00 H new ATOM 0 HZ3 TRP A 45 8.710 -16.207 -17.788 1.00 25.00 H new ATOM 0 HH2 TRP A 45 9.952 -18.329 -18.243 1.00 25.00 H new ATOM 700 N TRP A 46 11.267 -9.992 -19.232 1.00 25.00 N ATOM 701 CA TRP A 46 10.732 -8.643 -19.272 1.00 25.00 C ATOM 702 C TRP A 46 9.429 -8.539 -18.489 1.00 25.00 C ATOM 703 O TRP A 46 8.652 -9.481 -18.473 1.00 25.00 O ATOM 704 CB TRP A 46 10.464 -8.237 -20.729 1.00 25.00 C ATOM 705 CG TRP A 46 11.679 -8.265 -21.632 1.00 25.00 C ATOM 706 CD1 TRP A 46 12.973 -8.537 -21.298 1.00 25.00 C ATOM 707 CD2 TRP A 46 11.704 -8.010 -23.060 1.00 25.00 C ATOM 708 NE1 TRP A 46 13.801 -8.473 -22.379 1.00 25.00 N ATOM 709 CE2 TRP A 46 13.063 -8.151 -23.488 1.00 25.00 C ATOM 710 CE3 TRP A 46 10.719 -7.675 -24.007 1.00 25.00 C ATOM 711 CZ2 TRP A 46 13.448 -7.964 -24.833 1.00 25.00 C ATOM 712 CZ3 TRP A 46 11.099 -7.487 -25.354 1.00 25.00 C ATOM 713 CH2 TRP A 46 12.467 -7.622 -25.758 1.00 25.00 C ATOM 0 H TRP A 46 10.883 -10.615 -19.943 1.00 25.00 H new ATOM 0 HA TRP A 46 11.468 -7.979 -18.819 1.00 25.00 H new ATOM 0 HB2 TRP A 46 9.706 -8.902 -21.143 1.00 25.00 H new ATOM 0 HB3 TRP A 46 10.045 -7.231 -20.739 1.00 25.00 H new ATOM 0 HD1 TRP A 46 13.302 -8.775 -20.297 1.00 25.00 H new ATOM 0 HE1 TRP A 46 14.807 -8.638 -22.365 1.00 25.00 H new ATOM 0 HE3 TRP A 46 9.687 -7.563 -23.708 1.00 25.00 H new ATOM 0 HZ2 TRP A 46 14.478 -8.083 -25.136 1.00 25.00 H new ATOM 0 HZ3 TRP A 46 10.348 -7.238 -26.090 1.00 25.00 H new ATOM 0 HH2 TRP A 46 12.739 -7.457 -26.790 1.00 25.00 H new ATOM 724 N LEU A 47 9.176 -7.388 -17.886 1.00 25.00 N ATOM 725 CA LEU A 47 7.906 -7.150 -17.209 1.00 25.00 C ATOM 726 C LEU A 47 6.947 -6.649 -18.282 1.00 25.00 C ATOM 727 O LEU A 47 7.164 -5.583 -18.871 1.00 25.00 O ATOM 728 CB LEU A 47 8.038 -6.079 -16.124 1.00 25.00 C ATOM 729 CG LEU A 47 6.794 -5.923 -15.232 1.00 25.00 C ATOM 730 CD1 LEU A 47 6.616 -7.151 -14.317 1.00 25.00 C ATOM 731 CD2 LEU A 47 6.927 -4.655 -14.388 1.00 25.00 C ATOM 0 H LEU A 47 9.829 -6.605 -17.850 1.00 25.00 H new ATOM 0 HA LEU A 47 7.560 -8.063 -16.724 1.00 25.00 H new ATOM 0 HB2 LEU A 47 8.894 -6.321 -15.494 1.00 25.00 H new ATOM 0 HB3 LEU A 47 8.252 -5.122 -16.599 1.00 25.00 H new ATOM 0 HG LEU A 47 5.914 -5.846 -15.870 1.00 25.00 H new ATOM 0 HD11 LEU A 47 5.730 -7.017 -13.696 1.00 25.00 H new ATOM 0 HD12 LEU A 47 6.499 -8.046 -14.928 1.00 25.00 H new ATOM 0 HD13 LEU A 47 7.493 -7.259 -13.679 1.00 25.00 H new ATOM 0 HD21 LEU A 47 6.046 -4.544 -13.756 1.00 25.00 H new ATOM 0 HD22 LEU A 47 7.816 -4.727 -13.762 1.00 25.00 H new ATOM 0 HD23 LEU A 47 7.014 -3.789 -15.044 1.00 25.00 H new ATOM 743 N CYS A 48 5.892 -7.401 -18.528 1.00 25.00 N ATOM 744 CA CYS A 48 4.878 -6.977 -19.467 1.00 25.00 C ATOM 745 C CYS A 48 3.582 -6.778 -18.717 1.00 25.00 C ATOM 746 O CYS A 48 3.425 -7.286 -17.608 1.00 25.00 O ATOM 747 CB CYS A 48 4.702 -8.033 -20.559 1.00 25.00 C ATOM 748 SG CYS A 48 6.244 -8.377 -21.413 1.00 25.00 S ATOM 0 H CYS A 48 5.717 -8.306 -18.091 1.00 25.00 H new ATOM 0 HA CYS A 48 5.176 -6.042 -19.941 1.00 25.00 H new ATOM 0 HB2 CYS A 48 4.319 -8.953 -20.116 1.00 25.00 H new ATOM 0 HB3 CYS A 48 3.957 -7.691 -21.278 1.00 25.00 H new ATOM 0 HG CYS A 48 6.013 -8.522 -22.684 1.00 25.00 H new ATOM 754 N SER A 49 2.659 -6.058 -19.320 1.00 25.00 N ATOM 755 CA SER A 49 1.339 -5.833 -18.729 1.00 25.00 C ATOM 756 C SER A 49 0.281 -6.330 -19.705 1.00 25.00 C ATOM 757 O SER A 49 0.260 -5.928 -20.866 1.00 25.00 O ATOM 758 CB SER A 49 1.129 -4.355 -18.417 1.00 25.00 C ATOM 759 OG SER A 49 -0.149 -4.110 -17.847 1.00 25.00 O ATOM 0 H SER A 49 2.792 -5.611 -20.227 1.00 25.00 H new ATOM 0 HA SER A 49 1.261 -6.380 -17.789 1.00 25.00 H new ATOM 0 HB2 SER A 49 1.904 -4.015 -17.730 1.00 25.00 H new ATOM 0 HB3 SER A 49 1.236 -3.772 -19.332 1.00 25.00 H new ATOM 0 HG SER A 49 -0.246 -3.153 -17.659 1.00 25.00 H new ATOM 765 N LEU A 50 -0.577 -7.221 -19.218 1.00 25.00 N ATOM 766 CA LEU A 50 -1.608 -7.860 -20.032 1.00 25.00 C ATOM 767 C LEU A 50 -2.747 -8.316 -19.123 1.00 25.00 C ATOM 768 O LEU A 50 -2.506 -8.782 -18.011 1.00 25.00 O ATOM 769 CB LEU A 50 -0.993 -9.068 -20.750 1.00 25.00 C ATOM 770 CG LEU A 50 -1.906 -9.887 -21.680 1.00 25.00 C ATOM 771 CD1 LEU A 50 -2.316 -9.077 -22.898 1.00 25.00 C ATOM 772 CD2 LEU A 50 -1.179 -11.134 -22.110 1.00 25.00 C ATOM 0 H LEU A 50 -0.578 -7.522 -18.243 1.00 25.00 H new ATOM 0 HA LEU A 50 -1.997 -7.160 -20.771 1.00 25.00 H new ATOM 0 HB2 LEU A 50 -0.146 -8.714 -21.338 1.00 25.00 H new ATOM 0 HB3 LEU A 50 -0.595 -9.742 -19.992 1.00 25.00 H new ATOM 0 HG LEU A 50 -2.812 -10.154 -21.137 1.00 25.00 H new ATOM 0 HD11 LEU A 50 -2.960 -9.681 -23.537 1.00 25.00 H new ATOM 0 HD12 LEU A 50 -2.855 -8.186 -22.577 1.00 25.00 H new ATOM 0 HD13 LEU A 50 -1.427 -8.782 -23.455 1.00 25.00 H new ATOM 0 HD21 LEU A 50 -1.820 -11.720 -22.769 1.00 25.00 H new ATOM 0 HD22 LEU A 50 -0.267 -10.859 -22.640 1.00 25.00 H new ATOM 0 HD23 LEU A 50 -0.923 -11.727 -21.232 1.00 25.00 H new ATOM 784 N HIS A 51 -3.981 -8.144 -19.580 1.00 25.00 N ATOM 785 CA HIS A 51 -5.189 -8.565 -18.838 1.00 25.00 C ATOM 786 C HIS A 51 -5.253 -7.988 -17.417 1.00 25.00 C ATOM 787 O HIS A 51 -5.668 -8.648 -16.464 1.00 25.00 O ATOM 788 CB HIS A 51 -5.317 -10.095 -18.822 1.00 25.00 C ATOM 789 CG HIS A 51 -6.724 -10.574 -18.625 1.00 25.00 C ATOM 790 ND1 HIS A 51 -7.275 -10.837 -17.399 1.00 25.00 N ATOM 791 CD2 HIS A 51 -7.718 -10.833 -19.522 1.00 25.00 C ATOM 792 CE1 HIS A 51 -8.535 -11.217 -17.584 1.00 25.00 C ATOM 793 NE2 HIS A 51 -8.858 -11.237 -18.855 1.00 25.00 N ATOM 0 H HIS A 51 -4.186 -7.708 -20.479 1.00 25.00 H new ATOM 0 HA HIS A 51 -6.043 -8.150 -19.374 1.00 25.00 H new ATOM 0 HB2 HIS A 51 -4.934 -10.494 -19.761 1.00 25.00 H new ATOM 0 HB3 HIS A 51 -4.690 -10.496 -18.026 1.00 25.00 H new ATOM 0 HD1 HIS A 51 -6.801 -10.755 -16.500 1.00 25.00 H new ATOM 0 HD2 HIS A 51 -7.627 -10.737 -20.594 1.00 25.00 H new ATOM 0 HE1 HIS A 51 -9.212 -11.478 -16.784 1.00 25.00 H new ATOM 801 N GLY A 52 -4.824 -6.739 -17.271 1.00 25.00 N ATOM 802 CA GLY A 52 -4.900 -6.068 -15.972 1.00 25.00 C ATOM 803 C GLY A 52 -3.820 -6.464 -14.976 1.00 25.00 C ATOM 804 O GLY A 52 -3.813 -5.974 -13.852 1.00 25.00 O ATOM 0 H GLY A 52 -4.425 -6.175 -18.022 1.00 25.00 H new ATOM 0 HA2 GLY A 52 -4.846 -4.991 -16.133 1.00 25.00 H new ATOM 0 HA3 GLY A 52 -5.874 -6.276 -15.530 1.00 25.00 H new ATOM 808 N ARG A 53 -2.924 -7.353 -15.385 1.00 25.00 N ATOM 809 CA ARG A 53 -1.834 -7.803 -14.521 1.00 25.00 C ATOM 810 C ARG A 53 -0.524 -7.453 -15.160 1.00 25.00 C ATOM 811 O ARG A 53 -0.426 -7.429 -16.386 1.00 25.00 O ATOM 812 CB ARG A 53 -1.869 -9.337 -14.376 1.00 25.00 C ATOM 813 CG ARG A 53 -3.016 -9.875 -13.574 1.00 25.00 C ATOM 814 CD ARG A 53 -2.788 -11.364 -13.328 1.00 25.00 C ATOM 815 NE ARG A 53 -3.865 -11.985 -12.536 1.00 25.00 N ATOM 816 CZ ARG A 53 -3.862 -13.239 -12.094 1.00 25.00 C ATOM 817 NH1 ARG A 53 -2.864 -14.057 -12.334 1.00 25.00 N ATOM 818 NH2 ARG A 53 -4.878 -13.678 -11.393 1.00 25.00 N ATOM 0 H ARG A 53 -2.929 -7.779 -16.312 1.00 25.00 H new ATOM 0 HA ARG A 53 -1.945 -7.325 -13.548 1.00 25.00 H new ATOM 0 HB2 ARG A 53 -1.903 -9.780 -15.372 1.00 25.00 H new ATOM 0 HB3 ARG A 53 -0.938 -9.664 -13.913 1.00 25.00 H new ATOM 0 HG2 ARG A 53 -3.096 -9.344 -12.626 1.00 25.00 H new ATOM 0 HG3 ARG A 53 -3.954 -9.720 -14.106 1.00 25.00 H new ATOM 0 HD2 ARG A 53 -2.706 -11.877 -14.286 1.00 25.00 H new ATOM 0 HD3 ARG A 53 -1.838 -11.501 -12.811 1.00 25.00 H new ATOM 0 HE ARG A 53 -4.675 -11.408 -12.310 1.00 25.00 H new ATOM 0 HH11 ARG A 53 -2.060 -13.736 -12.874 1.00 25.00 H new ATOM 0 HH12 ARG A 53 -2.892 -15.013 -11.981 1.00 25.00 H new ATOM 0 HH21 ARG A 53 -5.663 -13.059 -11.190 1.00 25.00 H new ATOM 0 HH22 ARG A 53 -4.884 -14.639 -11.050 1.00 25.00 H new ATOM 832 N GLN A 54 0.500 -7.299 -14.351 1.00 25.00 N ATOM 833 CA GLN A 54 1.855 -7.212 -14.839 1.00 25.00 C ATOM 834 C GLN A 54 2.506 -8.509 -14.384 1.00 25.00 C ATOM 835 O GLN A 54 2.129 -9.063 -13.360 1.00 25.00 O ATOM 836 CB GLN A 54 2.595 -6.017 -14.249 1.00 25.00 C ATOM 837 CG GLN A 54 1.967 -4.673 -14.577 1.00 25.00 C ATOM 838 CD GLN A 54 1.227 -4.072 -13.388 1.00 25.00 C ATOM 839 OE1 GLN A 54 0.234 -4.609 -12.924 1.00 25.00 O ATOM 840 NE2 GLN A 54 1.701 -2.949 -12.913 1.00 25.00 N ATOM 0 H GLN A 54 0.415 -7.231 -13.337 1.00 25.00 H new ATOM 0 HA GLN A 54 1.882 -7.076 -15.920 1.00 25.00 H new ATOM 0 HB2 GLN A 54 2.640 -6.130 -13.166 1.00 25.00 H new ATOM 0 HB3 GLN A 54 3.622 -6.024 -14.613 1.00 25.00 H new ATOM 0 HG2 GLN A 54 2.744 -3.982 -14.905 1.00 25.00 H new ATOM 0 HG3 GLN A 54 1.274 -4.792 -15.410 1.00 25.00 H new ATOM 0 HE21 GLN A 54 2.534 -2.531 -13.328 1.00 25.00 H new ATOM 0 HE22 GLN A 54 1.238 -2.492 -12.128 1.00 25.00 H new ATOM 849 N GLY A 55 3.444 -8.999 -15.169 1.00 25.00 N ATOM 850 CA GLY A 55 4.122 -10.236 -14.842 1.00 25.00 C ATOM 851 C GLY A 55 5.310 -10.465 -15.739 1.00 25.00 C ATOM 852 O GLY A 55 5.495 -9.736 -16.729 1.00 25.00 O ATOM 0 H GLY A 55 3.753 -8.560 -16.036 1.00 25.00 H new ATOM 0 HA2 GLY A 55 4.449 -10.210 -13.802 1.00 25.00 H new ATOM 0 HA3 GLY A 55 3.427 -11.070 -14.937 1.00 25.00 H new ATOM 856 N ILE A 56 6.127 -11.440 -15.380 1.00 25.00 N ATOM 857 CA ILE A 56 7.333 -11.740 -16.139 1.00 25.00 C ATOM 858 C ILE A 56 6.976 -12.532 -17.392 1.00 25.00 C ATOM 859 O ILE A 56 6.055 -13.346 -17.405 1.00 25.00 O ATOM 860 CB ILE A 56 8.408 -12.494 -15.264 1.00 25.00 C ATOM 861 CG1 ILE A 56 7.945 -13.921 -14.912 1.00 25.00 C ATOM 862 CG2 ILE A 56 8.677 -11.678 -13.961 1.00 25.00 C ATOM 863 CD1 ILE A 56 8.984 -14.752 -14.144 1.00 25.00 C ATOM 0 H ILE A 56 5.979 -12.039 -14.568 1.00 25.00 H new ATOM 0 HA ILE A 56 7.787 -10.797 -16.442 1.00 25.00 H new ATOM 0 HB ILE A 56 9.328 -12.579 -15.842 1.00 25.00 H new ATOM 0 HG12 ILE A 56 7.035 -13.858 -14.316 1.00 25.00 H new ATOM 0 HG13 ILE A 56 7.687 -14.444 -15.833 1.00 25.00 H new ATOM 0 HG21 ILE A 56 9.419 -12.196 -13.354 1.00 25.00 H new ATOM 0 HG22 ILE A 56 9.049 -10.687 -14.222 1.00 25.00 H new ATOM 0 HG23 ILE A 56 7.750 -11.580 -13.395 1.00 25.00 H new ATOM 0 HD11 ILE A 56 8.577 -15.742 -13.937 1.00 25.00 H new ATOM 0 HD12 ILE A 56 9.888 -14.850 -14.745 1.00 25.00 H new ATOM 0 HD13 ILE A 56 9.225 -14.255 -13.204 1.00 25.00 H new ATOM 875 N VAL A 57 7.691 -12.236 -18.469 1.00 25.00 N ATOM 876 CA VAL A 57 7.493 -12.884 -19.763 1.00 25.00 C ATOM 877 C VAL A 57 8.872 -13.097 -20.385 1.00 25.00 C ATOM 878 O VAL A 57 9.698 -12.170 -20.382 1.00 25.00 O ATOM 879 CB VAL A 57 6.664 -11.970 -20.709 1.00 25.00 C ATOM 880 CG1 VAL A 57 6.605 -12.536 -22.119 1.00 25.00 C ATOM 881 CG2 VAL A 57 5.233 -11.778 -20.177 1.00 25.00 C ATOM 0 H VAL A 57 8.431 -11.534 -18.471 1.00 25.00 H new ATOM 0 HA VAL A 57 6.960 -13.825 -19.626 1.00 25.00 H new ATOM 0 HB VAL A 57 7.168 -11.004 -20.740 1.00 25.00 H new ATOM 0 HG11 VAL A 57 6.018 -11.872 -22.753 1.00 25.00 H new ATOM 0 HG12 VAL A 57 7.615 -12.621 -22.519 1.00 25.00 H new ATOM 0 HG13 VAL A 57 6.140 -13.521 -22.096 1.00 25.00 H new ATOM 0 HG21 VAL A 57 4.675 -11.135 -20.858 1.00 25.00 H new ATOM 0 HG22 VAL A 57 4.738 -12.747 -20.106 1.00 25.00 H new ATOM 0 HG23 VAL A 57 5.271 -11.316 -19.190 1.00 25.00 H new ATOM 891 N PRO A 58 9.140 -14.293 -20.938 1.00 25.00 N ATOM 892 CA PRO A 58 10.458 -14.385 -21.599 1.00 25.00 C ATOM 893 C PRO A 58 10.513 -13.578 -22.907 1.00 25.00 C ATOM 894 O PRO A 58 9.810 -13.878 -23.873 1.00 25.00 O ATOM 895 CB PRO A 58 10.607 -15.882 -21.854 1.00 25.00 C ATOM 896 CG PRO A 58 9.203 -16.377 -21.994 1.00 25.00 C ATOM 897 CD PRO A 58 8.380 -15.556 -21.042 1.00 25.00 C ATOM 0 HA PRO A 58 11.263 -13.967 -20.994 1.00 25.00 H new ATOM 0 HB2 PRO A 58 11.188 -16.076 -22.756 1.00 25.00 H new ATOM 0 HB3 PRO A 58 11.122 -16.376 -21.030 1.00 25.00 H new ATOM 0 HG2 PRO A 58 8.848 -16.260 -23.018 1.00 25.00 H new ATOM 0 HG3 PRO A 58 9.137 -17.438 -21.753 1.00 25.00 H new ATOM 0 HD2 PRO A 58 7.372 -15.389 -21.422 1.00 25.00 H new ATOM 0 HD3 PRO A 58 8.278 -16.045 -20.073 1.00 25.00 H new ATOM 905 N GLY A 59 11.341 -12.545 -22.922 1.00 25.00 N ATOM 906 CA GLY A 59 11.442 -11.645 -24.061 1.00 25.00 C ATOM 907 C GLY A 59 11.905 -12.307 -25.335 1.00 25.00 C ATOM 908 O GLY A 59 11.631 -11.830 -26.427 1.00 25.00 O ATOM 0 H GLY A 59 11.960 -12.307 -22.147 1.00 25.00 H new ATOM 0 HA2 GLY A 59 10.468 -11.188 -24.236 1.00 25.00 H new ATOM 0 HA3 GLY A 59 12.132 -10.839 -23.812 1.00 25.00 H new ATOM 912 N ASN A 60 12.596 -13.430 -25.207 1.00 25.00 N ATOM 913 CA ASN A 60 13.028 -14.197 -26.370 1.00 25.00 C ATOM 914 C ASN A 60 11.825 -14.697 -27.184 1.00 25.00 C ATOM 915 O ASN A 60 11.927 -14.925 -28.385 1.00 25.00 O ATOM 916 CB ASN A 60 13.869 -15.391 -25.916 1.00 25.00 C ATOM 917 CG ASN A 60 14.355 -16.222 -27.083 1.00 25.00 C ATOM 918 OD1 ASN A 60 13.887 -17.323 -27.301 1.00 25.00 O ATOM 919 ND2 ASN A 60 15.291 -15.693 -27.834 1.00 25.00 N ATOM 0 H ASN A 60 12.870 -13.832 -24.311 1.00 25.00 H new ATOM 0 HA ASN A 60 13.625 -13.543 -27.006 1.00 25.00 H new ATOM 0 HB2 ASN A 60 14.726 -15.034 -25.344 1.00 25.00 H new ATOM 0 HB3 ASN A 60 13.278 -16.017 -25.247 1.00 25.00 H new ATOM 0 HD21 ASN A 60 15.653 -16.209 -28.636 1.00 25.00 H new ATOM 0 HD22 ASN A 60 15.656 -14.766 -27.616 1.00 25.00 H new ATOM 926 N ARG A 61 10.684 -14.849 -26.526 1.00 25.00 N ATOM 927 CA ARG A 61 9.461 -15.304 -27.189 1.00 25.00 C ATOM 928 C ARG A 61 8.606 -14.139 -27.691 1.00 25.00 C ATOM 929 O ARG A 61 7.461 -14.351 -28.113 1.00 25.00 O ATOM 930 CB ARG A 61 8.631 -16.152 -26.212 1.00 25.00 C ATOM 931 CG ARG A 61 9.309 -17.446 -25.777 1.00 25.00 C ATOM 932 CD ARG A 61 8.275 -18.398 -25.128 1.00 25.00 C ATOM 933 NE ARG A 61 8.883 -19.650 -24.656 1.00 25.00 N ATOM 934 CZ ARG A 61 8.208 -20.731 -24.263 1.00 25.00 C ATOM 935 NH1 ARG A 61 6.895 -20.817 -24.312 1.00 25.00 N ATOM 936 NH2 ARG A 61 8.876 -21.746 -23.800 1.00 25.00 N ATOM 0 H ARG A 61 10.576 -14.664 -25.529 1.00 25.00 H new ATOM 0 HA ARG A 61 9.760 -15.896 -28.054 1.00 25.00 H new ATOM 0 HB2 ARG A 61 8.411 -15.555 -25.327 1.00 25.00 H new ATOM 0 HB3 ARG A 61 7.676 -16.394 -26.679 1.00 25.00 H new ATOM 0 HG2 ARG A 61 9.771 -17.930 -26.637 1.00 25.00 H new ATOM 0 HG3 ARG A 61 10.107 -17.227 -25.068 1.00 25.00 H new ATOM 0 HD2 ARG A 61 7.796 -17.892 -24.290 1.00 25.00 H new ATOM 0 HD3 ARG A 61 7.493 -18.628 -25.852 1.00 25.00 H new ATOM 0 HE ARG A 61 9.902 -19.696 -24.627 1.00 25.00 H new ATOM 0 HH11 ARG A 61 6.345 -20.033 -24.663 1.00 25.00 H new ATOM 0 HH12 ARG A 61 6.428 -21.668 -23.999 1.00 25.00 H new ATOM 0 HH21 ARG A 61 9.894 -21.704 -23.744 1.00 25.00 H new ATOM 0 HH22 ARG A 61 8.382 -22.584 -23.493 1.00 25.00 H new ATOM 950 N LEU A 62 9.133 -12.923 -27.627 1.00 25.00 N ATOM 951 CA LEU A 62 8.382 -11.739 -28.055 1.00 25.00 C ATOM 952 C LEU A 62 9.035 -11.036 -29.247 1.00 25.00 C ATOM 953 O LEU A 62 10.255 -11.016 -29.385 1.00 25.00 O ATOM 954 CB LEU A 62 8.312 -10.715 -26.907 1.00 25.00 C ATOM 955 CG LEU A 62 7.623 -11.111 -25.585 1.00 25.00 C ATOM 956 CD1 LEU A 62 7.660 -9.933 -24.614 1.00 25.00 C ATOM 957 CD2 LEU A 62 6.184 -11.527 -25.830 1.00 25.00 C ATOM 0 H LEU A 62 10.074 -12.726 -27.285 1.00 25.00 H new ATOM 0 HA LEU A 62 7.391 -12.090 -28.342 1.00 25.00 H new ATOM 0 HB2 LEU A 62 9.334 -10.419 -26.669 1.00 25.00 H new ATOM 0 HB3 LEU A 62 7.805 -9.829 -27.289 1.00 25.00 H new ATOM 0 HG LEU A 62 8.159 -11.958 -25.155 1.00 25.00 H new ATOM 0 HD11 LEU A 62 7.173 -10.215 -23.681 1.00 25.00 H new ATOM 0 HD12 LEU A 62 8.696 -9.659 -24.414 1.00 25.00 H new ATOM 0 HD13 LEU A 62 7.138 -9.083 -25.053 1.00 25.00 H new ATOM 0 HD21 LEU A 62 5.719 -11.802 -24.883 1.00 25.00 H new ATOM 0 HD22 LEU A 62 5.636 -10.697 -26.276 1.00 25.00 H new ATOM 0 HD23 LEU A 62 6.162 -12.381 -26.507 1.00 25.00 H new ATOM 969 N LYS A 63 8.214 -10.397 -30.074 1.00 25.00 N ATOM 970 CA LYS A 63 8.707 -9.570 -31.188 1.00 25.00 C ATOM 971 C LYS A 63 8.148 -8.153 -31.055 1.00 25.00 C ATOM 972 O LYS A 63 6.936 -7.965 -31.092 1.00 25.00 O ATOM 973 CB LYS A 63 8.278 -10.160 -32.537 1.00 25.00 C ATOM 974 CG LYS A 63 8.790 -9.363 -33.735 1.00 25.00 C ATOM 975 CD LYS A 63 8.405 -9.974 -35.069 1.00 25.00 C ATOM 976 CE LYS A 63 9.025 -9.173 -36.218 1.00 25.00 C ATOM 977 NZ LYS A 63 8.766 -9.774 -37.573 1.00 25.00 N ATOM 0 H LYS A 63 7.197 -10.432 -29.999 1.00 25.00 H new ATOM 0 HA LYS A 63 9.796 -9.548 -31.148 1.00 25.00 H new ATOM 0 HB2 LYS A 63 8.641 -11.185 -32.609 1.00 25.00 H new ATOM 0 HB3 LYS A 63 7.190 -10.204 -32.577 1.00 25.00 H new ATOM 0 HG2 LYS A 63 8.398 -8.347 -33.681 1.00 25.00 H new ATOM 0 HG3 LYS A 63 9.876 -9.289 -33.677 1.00 25.00 H new ATOM 0 HD2 LYS A 63 8.743 -11.009 -35.114 1.00 25.00 H new ATOM 0 HD3 LYS A 63 7.320 -9.989 -35.171 1.00 25.00 H new ATOM 0 HE2 LYS A 63 8.630 -8.157 -36.198 1.00 25.00 H new ATOM 0 HE3 LYS A 63 10.101 -9.100 -36.061 1.00 25.00 H new ATOM 0 HZ1 LYS A 63 9.212 -9.185 -38.305 1.00 25.00 H new ATOM 0 HZ2 LYS A 63 9.166 -10.733 -37.610 1.00 25.00 H new ATOM 0 HZ3 LYS A 63 7.741 -9.820 -37.742 1.00 25.00 H new ATOM 991 N ILE A 64 9.031 -7.180 -30.911 1.00 25.00 N ATOM 992 CA ILE A 64 8.642 -5.767 -30.822 1.00 25.00 C ATOM 993 C ILE A 64 7.883 -5.386 -32.100 1.00 25.00 C ATOM 994 O ILE A 64 8.271 -5.780 -33.202 1.00 25.00 O ATOM 995 CB ILE A 64 9.900 -4.868 -30.680 1.00 25.00 C ATOM 996 CG1 ILE A 64 10.684 -5.208 -29.387 1.00 25.00 C ATOM 997 CG2 ILE A 64 9.524 -3.360 -30.683 1.00 25.00 C ATOM 998 CD1 ILE A 64 9.976 -4.841 -28.051 1.00 25.00 C ATOM 0 H ILE A 64 10.037 -7.337 -30.852 1.00 25.00 H new ATOM 0 HA ILE A 64 8.009 -5.620 -29.947 1.00 25.00 H new ATOM 0 HB ILE A 64 10.536 -5.068 -31.542 1.00 25.00 H new ATOM 0 HG12 ILE A 64 10.895 -6.277 -29.383 1.00 25.00 H new ATOM 0 HG13 ILE A 64 11.644 -4.694 -29.421 1.00 25.00 H new ATOM 0 HG21 ILE A 64 10.428 -2.759 -30.582 1.00 25.00 H new ATOM 0 HG22 ILE A 64 9.026 -3.111 -31.620 1.00 25.00 H new ATOM 0 HG23 ILE A 64 8.854 -3.150 -29.849 1.00 25.00 H new ATOM 0 HD11 ILE A 64 10.613 -5.122 -27.212 1.00 25.00 H new ATOM 0 HD12 ILE A 64 9.790 -3.767 -28.021 1.00 25.00 H new ATOM 0 HD13 ILE A 64 9.029 -5.376 -27.982 1.00 25.00 H new