USER MOD reduce.3.24.130724 H: found=0, std=0, add=466, rem=0, adj=11 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= -0.0854 X(o=-0.085,f=-0.25) 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= -0.308 X(o=-0.31,f=0) USER MOD Single : A 20 SER OG : rot 180:sc= -0.0105 USER MOD Single : A 25 SER OG : rot 180:sc= 0.151 USER MOD Single : A 28 LYS NZ :NH3+ 165:sc= 0.867 (180deg=0.4) USER MOD Single : A 32 MET CE :methyl 152:sc= -0.0473 (180deg=-0.984) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot -29:sc= 0.157 USER MOD Single : A 40 GLN : amide:sc= 0.526 K(o=0.53,f=-1.9) USER MOD Single : A 48 CYS SG : rot -134:sc= -1.21 USER MOD Single : A 49 SER OG : rot 180:sc= -0.612 USER MOD Single : A 51 HIS : no HE2:sc= 0.356 K(o=0.36,f=-1.7) USER MOD Single : A 54 GLN : amide:sc= -0.493 X(o=-0.49,f=-0.49) USER MOD Single : A 60 ASN : amide:sc= -0.0126 X(o=-0.013,f=-0.31) USER MOD Single : A 63 LYS NZ :NH3+ -166:sc= -0.0311 (180deg=-0.23) USER MOD ----------------------------------------------------------------- ATOM 80 N LEU A 6 10.023 1.921 -20.264 1.00 25.00 N ATOM 81 CA LEU A 6 10.097 1.745 -21.724 1.00 25.00 C ATOM 82 C LEU A 6 8.815 2.086 -22.479 1.00 25.00 C ATOM 83 O LEU A 6 8.864 2.742 -23.515 1.00 25.00 O ATOM 84 CB LEU A 6 10.460 0.300 -22.056 1.00 25.00 C ATOM 85 CG LEU A 6 11.783 -0.213 -21.479 1.00 25.00 C ATOM 86 CD1 LEU A 6 11.855 -1.698 -21.734 1.00 25.00 C ATOM 87 CD2 LEU A 6 12.990 0.488 -22.105 1.00 25.00 C ATOM 0 HA LEU A 6 10.860 2.451 -22.051 1.00 25.00 H new ATOM 0 HB2 LEU A 6 9.657 -0.346 -21.700 1.00 25.00 H new ATOM 0 HB3 LEU A 6 10.496 0.196 -23.140 1.00 25.00 H new ATOM 0 HG LEU A 6 11.813 0.001 -20.411 1.00 25.00 H new ATOM 0 HD11 LEU A 6 12.789 -2.091 -21.333 1.00 25.00 H new ATOM 0 HD12 LEU A 6 11.014 -2.192 -21.247 1.00 25.00 H new ATOM 0 HD13 LEU A 6 11.814 -1.885 -22.807 1.00 25.00 H new ATOM 0 HD21 LEU A 6 13.907 0.094 -21.667 1.00 25.00 H new ATOM 0 HD22 LEU A 6 12.996 0.311 -23.181 1.00 25.00 H new ATOM 0 HD23 LEU A 6 12.928 1.559 -21.914 1.00 25.00 H new ATOM 99 N ASN A 7 7.690 1.598 -21.976 1.00 25.00 N ATOM 100 CA ASN A 7 6.367 1.802 -22.595 1.00 25.00 C ATOM 101 C ASN A 7 6.308 1.433 -24.088 1.00 25.00 C ATOM 102 O ASN A 7 5.666 2.120 -24.888 1.00 25.00 O ATOM 103 CB ASN A 7 5.905 3.250 -22.390 1.00 25.00 C ATOM 104 CG ASN A 7 4.409 3.398 -22.506 1.00 25.00 C ATOM 105 OD1 ASN A 7 3.654 2.664 -21.882 1.00 25.00 O ATOM 106 ND2 ASN A 7 3.973 4.349 -23.284 1.00 25.00 N ATOM 0 H ASN A 7 7.658 1.044 -21.120 1.00 25.00 H new ATOM 0 HA ASN A 7 5.690 1.114 -22.089 1.00 25.00 H new ATOM 0 HB2 ASN A 7 6.226 3.595 -21.407 1.00 25.00 H new ATOM 0 HB3 ASN A 7 6.389 3.891 -23.127 1.00 25.00 H new ATOM 0 HD21 ASN A 7 2.970 4.502 -23.389 1.00 25.00 H new ATOM 0 HD22 ASN A 7 4.635 4.940 -23.787 1.00 25.00 H new ATOM 113 N VAL A 8 6.958 0.341 -24.454 1.00 25.00 N ATOM 114 CA VAL A 8 6.934 -0.159 -25.826 1.00 25.00 C ATOM 115 C VAL A 8 6.028 -1.376 -25.800 1.00 25.00 C ATOM 116 O VAL A 8 5.612 -1.791 -24.737 1.00 25.00 O ATOM 117 CB VAL A 8 8.355 -0.535 -26.334 1.00 25.00 C ATOM 118 CG1 VAL A 8 9.239 0.714 -26.414 1.00 25.00 C ATOM 119 CG2 VAL A 8 9.016 -1.593 -25.431 1.00 25.00 C ATOM 0 H VAL A 8 7.516 -0.225 -23.815 1.00 25.00 H new ATOM 0 HA VAL A 8 6.571 0.606 -26.513 1.00 25.00 H new ATOM 0 HB VAL A 8 8.248 -0.963 -27.331 1.00 25.00 H new ATOM 0 HG11 VAL A 8 10.231 0.436 -26.771 1.00 25.00 H new ATOM 0 HG12 VAL A 8 8.793 1.432 -27.103 1.00 25.00 H new ATOM 0 HG13 VAL A 8 9.323 1.164 -25.425 1.00 25.00 H new ATOM 0 HG21 VAL A 8 10.007 -1.832 -25.816 1.00 25.00 H new ATOM 0 HG22 VAL A 8 9.105 -1.202 -24.417 1.00 25.00 H new ATOM 0 HG23 VAL A 8 8.404 -2.495 -25.420 1.00 25.00 H new ATOM 129 N LEU A 9 5.702 -1.949 -26.945 1.00 25.00 N ATOM 130 CA LEU A 9 4.821 -3.116 -26.969 1.00 25.00 C ATOM 131 C LEU A 9 5.353 -4.151 -27.935 1.00 25.00 C ATOM 132 O LEU A 9 6.146 -3.840 -28.830 1.00 25.00 O ATOM 133 CB LEU A 9 3.375 -2.731 -27.317 1.00 25.00 C ATOM 134 CG LEU A 9 3.156 -1.777 -28.499 1.00 25.00 C ATOM 135 CD1 LEU A 9 1.871 -2.141 -29.233 1.00 25.00 C ATOM 136 CD2 LEU A 9 3.061 -0.333 -27.988 1.00 25.00 C ATOM 0 H LEU A 9 6.025 -1.636 -27.860 1.00 25.00 H new ATOM 0 HA LEU A 9 4.806 -3.546 -25.967 1.00 25.00 H new ATOM 0 HB2 LEU A 9 2.823 -3.649 -27.520 1.00 25.00 H new ATOM 0 HB3 LEU A 9 2.926 -2.278 -26.433 1.00 25.00 H new ATOM 0 HG LEU A 9 3.998 -1.866 -29.185 1.00 25.00 H new ATOM 0 HD11 LEU A 9 1.724 -1.458 -30.070 1.00 25.00 H new ATOM 0 HD12 LEU A 9 1.942 -3.163 -29.606 1.00 25.00 H new ATOM 0 HD13 LEU A 9 1.026 -2.063 -28.549 1.00 25.00 H new ATOM 0 HD21 LEU A 9 2.906 0.341 -28.830 1.00 25.00 H new ATOM 0 HD22 LEU A 9 2.224 -0.247 -27.295 1.00 25.00 H new ATOM 0 HD23 LEU A 9 3.986 -0.067 -27.476 1.00 25.00 H new ATOM 148 N ALA A 10 4.956 -5.390 -27.707 1.00 25.00 N ATOM 149 CA ALA A 10 5.476 -6.521 -28.451 1.00 25.00 C ATOM 150 C ALA A 10 4.371 -7.524 -28.767 1.00 25.00 C ATOM 151 O ALA A 10 3.352 -7.575 -28.080 1.00 25.00 O ATOM 152 CB ALA A 10 6.574 -7.191 -27.628 1.00 25.00 C ATOM 0 H ALA A 10 4.264 -5.640 -27.001 1.00 25.00 H new ATOM 0 HA ALA A 10 5.884 -6.166 -29.398 1.00 25.00 H new ATOM 0 HB1 ALA A 10 6.972 -8.043 -28.178 1.00 25.00 H new ATOM 0 HB2 ALA A 10 7.374 -6.476 -27.438 1.00 25.00 H new ATOM 0 HB3 ALA A 10 6.160 -7.533 -26.679 1.00 25.00 H new ATOM 158 N LYS A 11 4.610 -8.341 -29.782 1.00 25.00 N ATOM 159 CA LYS A 11 3.696 -9.427 -30.148 1.00 25.00 C ATOM 160 C LYS A 11 4.315 -10.740 -29.711 1.00 25.00 C ATOM 161 O LYS A 11 5.495 -10.971 -29.953 1.00 25.00 O ATOM 162 CB LYS A 11 3.465 -9.448 -31.662 1.00 25.00 C ATOM 163 CG LYS A 11 2.495 -10.536 -32.114 1.00 25.00 C ATOM 164 CD LYS A 11 2.160 -10.414 -33.587 1.00 25.00 C ATOM 165 CE LYS A 11 1.099 -11.442 -33.956 1.00 25.00 C ATOM 166 NZ LYS A 11 0.691 -11.375 -35.397 1.00 25.00 N ATOM 0 H LYS A 11 5.437 -8.276 -30.376 1.00 25.00 H new ATOM 0 HA LYS A 11 2.735 -9.275 -29.657 1.00 25.00 H new ATOM 0 HB2 LYS A 11 3.082 -8.477 -31.977 1.00 25.00 H new ATOM 0 HB3 LYS A 11 4.421 -9.592 -32.166 1.00 25.00 H new ATOM 0 HG2 LYS A 11 2.932 -11.516 -31.920 1.00 25.00 H new ATOM 0 HG3 LYS A 11 1.579 -10.474 -31.526 1.00 25.00 H new ATOM 0 HD2 LYS A 11 1.799 -9.409 -33.806 1.00 25.00 H new ATOM 0 HD3 LYS A 11 3.056 -10.569 -34.188 1.00 25.00 H new ATOM 0 HE2 LYS A 11 1.478 -12.441 -33.738 1.00 25.00 H new ATOM 0 HE3 LYS A 11 0.221 -11.290 -33.329 1.00 25.00 H new ATOM 0 HZ1 LYS A 11 -0.032 -12.098 -35.587 1.00 25.00 H new ATOM 0 HZ2 LYS A 11 0.302 -10.433 -35.604 1.00 25.00 H new ATOM 0 HZ3 LYS A 11 1.520 -11.548 -36.001 1.00 25.00 H new ATOM 180 N ALA A 12 3.522 -11.598 -29.091 1.00 25.00 N ATOM 181 CA ALA A 12 4.005 -12.904 -28.668 1.00 25.00 C ATOM 182 C ALA A 12 4.164 -13.813 -29.883 1.00 25.00 C ATOM 183 O ALA A 12 3.251 -13.939 -30.706 1.00 25.00 O ATOM 184 CB ALA A 12 3.035 -13.516 -27.667 1.00 25.00 C ATOM 0 H ALA A 12 2.543 -11.415 -28.869 1.00 25.00 H new ATOM 0 HA ALA A 12 4.976 -12.791 -28.186 1.00 25.00 H new ATOM 0 HB1 ALA A 12 3.403 -14.493 -27.355 1.00 25.00 H new ATOM 0 HB2 ALA A 12 2.951 -12.865 -26.797 1.00 25.00 H new ATOM 0 HB3 ALA A 12 2.055 -13.629 -28.132 1.00 25.00 H new ATOM 190 N LEU A 13 5.323 -14.443 -29.987 1.00 25.00 N ATOM 191 CA LEU A 13 5.618 -15.359 -31.088 1.00 25.00 C ATOM 192 C LEU A 13 5.297 -16.784 -30.665 1.00 25.00 C ATOM 193 O LEU A 13 4.991 -17.636 -31.492 1.00 25.00 O ATOM 194 CB LEU A 13 7.104 -15.269 -31.457 1.00 25.00 C ATOM 195 CG LEU A 13 7.626 -13.893 -31.904 1.00 25.00 C ATOM 196 CD1 LEU A 13 9.145 -13.976 -32.078 1.00 25.00 C ATOM 197 CD2 LEU A 13 6.968 -13.441 -33.214 1.00 25.00 C ATOM 0 H LEU A 13 6.085 -14.338 -29.317 1.00 25.00 H new ATOM 0 HA LEU A 13 5.011 -15.084 -31.951 1.00 25.00 H new ATOM 0 HB2 LEU A 13 7.688 -15.590 -30.595 1.00 25.00 H new ATOM 0 HB3 LEU A 13 7.299 -15.983 -32.258 1.00 25.00 H new ATOM 0 HG LEU A 13 7.374 -13.156 -31.141 1.00 25.00 H new ATOM 0 HD11 LEU A 13 9.528 -13.006 -32.395 1.00 25.00 H new ATOM 0 HD12 LEU A 13 9.605 -14.256 -31.130 1.00 25.00 H new ATOM 0 HD13 LEU A 13 9.384 -14.725 -32.833 1.00 25.00 H new ATOM 0 HD21 LEU A 13 7.360 -12.465 -33.500 1.00 25.00 H new ATOM 0 HD22 LEU A 13 7.186 -14.165 -33.999 1.00 25.00 H new ATOM 0 HD23 LEU A 13 5.889 -13.372 -33.074 1.00 25.00 H new ATOM 209 N TYR A 14 5.360 -17.025 -29.364 1.00 25.00 N ATOM 210 CA TYR A 14 5.095 -18.340 -28.786 1.00 25.00 C ATOM 211 C TYR A 14 4.032 -18.167 -27.716 1.00 25.00 C ATOM 212 O TYR A 14 3.785 -17.052 -27.266 1.00 25.00 O ATOM 213 CB TYR A 14 6.367 -18.921 -28.169 1.00 25.00 C ATOM 214 CG TYR A 14 7.520 -19.024 -29.149 1.00 25.00 C ATOM 215 CD1 TYR A 14 7.732 -20.196 -29.901 1.00 25.00 C ATOM 216 CD2 TYR A 14 8.408 -17.945 -29.330 1.00 25.00 C ATOM 217 CE1 TYR A 14 8.809 -20.282 -30.828 1.00 25.00 C ATOM 218 CE2 TYR A 14 9.484 -18.027 -30.244 1.00 25.00 C ATOM 219 CZ TYR A 14 9.672 -19.192 -30.989 1.00 25.00 C ATOM 220 OH TYR A 14 10.708 -19.264 -31.885 1.00 25.00 O ATOM 0 H TYR A 14 5.597 -16.312 -28.674 1.00 25.00 H new ATOM 0 HA TYR A 14 4.755 -19.028 -29.560 1.00 25.00 H new ATOM 0 HB2 TYR A 14 6.670 -18.299 -27.327 1.00 25.00 H new ATOM 0 HB3 TYR A 14 6.149 -19.912 -27.771 1.00 25.00 H new ATOM 0 HD1 TYR A 14 7.070 -21.039 -29.773 1.00 25.00 H new ATOM 0 HD2 TYR A 14 8.264 -17.039 -28.760 1.00 25.00 H new ATOM 0 HE1 TYR A 14 8.959 -21.183 -31.404 1.00 25.00 H new ATOM 0 HE2 TYR A 14 10.158 -17.191 -30.365 1.00 25.00 H new ATOM 0 HH TYR A 14 11.209 -18.422 -31.874 1.00 25.00 H new ATOM 230 N ASP A 15 3.401 -19.259 -27.325 1.00 25.00 N ATOM 231 CA ASP A 15 2.384 -19.250 -26.282 1.00 25.00 C ATOM 232 C ASP A 15 2.959 -19.806 -24.999 1.00 25.00 C ATOM 233 O ASP A 15 3.890 -20.600 -25.027 1.00 25.00 O ATOM 234 CB ASP A 15 1.137 -20.054 -26.700 1.00 25.00 C ATOM 235 CG ASP A 15 1.438 -21.499 -27.107 1.00 25.00 C ATOM 236 OD1 ASP A 15 0.476 -22.287 -27.041 1.00 25.00 O ATOM 237 OD2 ASP A 15 2.476 -21.778 -27.754 1.00 25.00 O ATOM 0 H ASP A 15 3.578 -20.182 -27.722 1.00 25.00 H new ATOM 0 HA ASP A 15 2.073 -18.217 -26.122 1.00 25.00 H new ATOM 0 HB2 ASP A 15 0.427 -20.060 -25.873 1.00 25.00 H new ATOM 0 HB3 ASP A 15 0.652 -19.546 -27.533 1.00 25.00 H new ATOM 242 N ASN A 16 2.428 -19.349 -23.875 1.00 25.00 N ATOM 243 CA ASN A 16 2.937 -19.755 -22.573 1.00 25.00 C ATOM 244 C ASN A 16 1.804 -19.873 -21.559 1.00 25.00 C ATOM 245 O ASN A 16 1.029 -18.934 -21.363 1.00 25.00 O ATOM 246 CB ASN A 16 3.953 -18.717 -22.095 1.00 25.00 C ATOM 247 CG ASN A 16 4.908 -19.263 -21.078 1.00 25.00 C ATOM 248 OD1 ASN A 16 5.949 -19.800 -21.432 1.00 25.00 O ATOM 249 ND2 ASN A 16 4.595 -19.099 -19.829 1.00 25.00 N ATOM 0 H ASN A 16 1.645 -18.697 -23.838 1.00 25.00 H new ATOM 0 HA ASN A 16 3.412 -20.732 -22.665 1.00 25.00 H new ATOM 0 HB2 ASN A 16 4.515 -18.345 -22.951 1.00 25.00 H new ATOM 0 HB3 ASN A 16 3.422 -17.866 -21.668 1.00 25.00 H new ATOM 0 HD21 ASN A 16 5.228 -19.423 -19.098 1.00 25.00 H new ATOM 0 HD22 ASN A 16 3.716 -18.646 -19.579 1.00 25.00 H new ATOM 256 N VAL A 17 1.713 -21.016 -20.904 1.00 25.00 N ATOM 257 CA VAL A 17 0.750 -21.200 -19.826 1.00 25.00 C ATOM 258 C VAL A 17 1.540 -20.814 -18.595 1.00 25.00 C ATOM 259 O VAL A 17 2.638 -21.308 -18.407 1.00 25.00 O ATOM 260 CB VAL A 17 0.267 -22.675 -19.713 1.00 25.00 C ATOM 261 CG1 VAL A 17 -0.677 -22.851 -18.506 1.00 25.00 C ATOM 262 CG2 VAL A 17 -0.458 -23.100 -21.004 1.00 25.00 C ATOM 0 H VAL A 17 2.293 -21.833 -21.097 1.00 25.00 H new ATOM 0 HA VAL A 17 -0.155 -20.612 -19.978 1.00 25.00 H new ATOM 0 HB VAL A 17 1.143 -23.308 -19.568 1.00 25.00 H new ATOM 0 HG11 VAL A 17 -1.002 -23.890 -18.447 1.00 25.00 H new ATOM 0 HG12 VAL A 17 -0.150 -22.583 -17.590 1.00 25.00 H new ATOM 0 HG13 VAL A 17 -1.547 -22.205 -18.627 1.00 25.00 H new ATOM 0 HG21 VAL A 17 -0.790 -24.134 -20.911 1.00 25.00 H new ATOM 0 HG22 VAL A 17 -1.321 -22.454 -21.166 1.00 25.00 H new ATOM 0 HG23 VAL A 17 0.224 -23.013 -21.850 1.00 25.00 H new ATOM 272 N ALA A 18 1.012 -19.902 -17.795 1.00 25.00 N ATOM 273 CA ALA A 18 1.713 -19.460 -16.603 1.00 25.00 C ATOM 274 C ALA A 18 1.791 -20.632 -15.627 1.00 25.00 C ATOM 275 O ALA A 18 0.759 -21.095 -15.132 1.00 25.00 O ATOM 276 CB ALA A 18 0.977 -18.277 -15.968 1.00 25.00 C ATOM 0 H ALA A 18 0.107 -19.457 -17.948 1.00 25.00 H new ATOM 0 HA ALA A 18 2.720 -19.130 -16.860 1.00 25.00 H new ATOM 0 HB1 ALA A 18 1.511 -17.953 -15.075 1.00 25.00 H new ATOM 0 HB2 ALA A 18 0.929 -17.453 -16.680 1.00 25.00 H new ATOM 0 HB3 ALA A 18 -0.034 -18.581 -15.696 1.00 25.00 H new ATOM 282 N GLU A 19 3.000 -21.103 -15.360 1.00 25.00 N ATOM 283 CA GLU A 19 3.202 -22.214 -14.425 1.00 25.00 C ATOM 284 C GLU A 19 3.618 -21.652 -13.069 1.00 25.00 C ATOM 285 O GLU A 19 3.571 -22.332 -12.045 1.00 25.00 O ATOM 286 CB GLU A 19 4.233 -23.208 -14.977 1.00 25.00 C ATOM 287 CG GLU A 19 5.655 -22.669 -15.123 1.00 25.00 C ATOM 288 CD GLU A 19 6.598 -23.688 -15.769 1.00 25.00 C ATOM 289 OE1 GLU A 19 7.820 -23.424 -15.813 1.00 25.00 O ATOM 290 OE2 GLU A 19 6.123 -24.757 -16.219 1.00 25.00 O ATOM 0 H GLU A 19 3.858 -20.738 -15.774 1.00 25.00 H new ATOM 0 HA GLU A 19 2.271 -22.766 -14.300 1.00 25.00 H new ATOM 0 HB2 GLU A 19 4.259 -24.079 -14.322 1.00 25.00 H new ATOM 0 HB3 GLU A 19 3.892 -23.553 -15.953 1.00 25.00 H new ATOM 0 HG2 GLU A 19 5.637 -21.761 -15.725 1.00 25.00 H new ATOM 0 HG3 GLU A 19 6.039 -22.393 -14.141 1.00 25.00 H new ATOM 297 N SER A 20 3.929 -20.364 -13.068 1.00 25.00 N ATOM 298 CA SER A 20 4.199 -19.617 -11.844 1.00 25.00 C ATOM 299 C SER A 20 3.119 -18.561 -11.726 1.00 25.00 C ATOM 300 O SER A 20 2.681 -18.015 -12.737 1.00 25.00 O ATOM 301 CB SER A 20 5.556 -18.929 -11.934 1.00 25.00 C ATOM 302 OG SER A 20 5.811 -18.131 -10.786 1.00 25.00 O ATOM 0 H SER A 20 4.002 -19.804 -13.917 1.00 25.00 H new ATOM 0 HA SER A 20 4.207 -20.285 -10.983 1.00 25.00 H new ATOM 0 HB2 SER A 20 6.340 -19.679 -12.038 1.00 25.00 H new ATOM 0 HB3 SER A 20 5.591 -18.305 -12.827 1.00 25.00 H new ATOM 0 HG SER A 20 6.689 -17.704 -10.873 1.00 25.00 H new ATOM 308 N PRO A 21 2.701 -18.213 -10.499 1.00 25.00 N ATOM 309 CA PRO A 21 1.698 -17.143 -10.445 1.00 25.00 C ATOM 310 C PRO A 21 2.252 -15.764 -10.812 1.00 25.00 C ATOM 311 O PRO A 21 1.496 -14.858 -11.149 1.00 25.00 O ATOM 312 CB PRO A 21 1.251 -17.185 -8.989 1.00 25.00 C ATOM 313 CG PRO A 21 2.446 -17.651 -8.249 1.00 25.00 C ATOM 314 CD PRO A 21 3.044 -18.699 -9.147 1.00 25.00 C ATOM 0 HA PRO A 21 0.897 -17.297 -11.168 1.00 25.00 H new ATOM 0 HB2 PRO A 21 0.928 -16.203 -8.644 1.00 25.00 H new ATOM 0 HB3 PRO A 21 0.409 -17.863 -8.851 1.00 25.00 H new ATOM 0 HG2 PRO A 21 3.146 -16.835 -8.066 1.00 25.00 H new ATOM 0 HG3 PRO A 21 2.177 -18.064 -7.277 1.00 25.00 H new ATOM 0 HD2 PRO A 21 4.122 -18.781 -9.009 1.00 25.00 H new ATOM 0 HD3 PRO A 21 2.622 -19.685 -8.953 1.00 25.00 H new ATOM 322 N ASP A 22 3.571 -15.621 -10.751 1.00 25.00 N ATOM 323 CA ASP A 22 4.253 -14.365 -11.087 1.00 25.00 C ATOM 324 C ASP A 22 4.387 -14.222 -12.603 1.00 25.00 C ATOM 325 O ASP A 22 4.644 -13.143 -13.137 1.00 25.00 O ATOM 326 CB ASP A 22 5.656 -14.407 -10.467 1.00 25.00 C ATOM 327 CG ASP A 22 6.388 -13.085 -10.575 1.00 25.00 C ATOM 328 OD1 ASP A 22 7.620 -13.114 -10.788 1.00 25.00 O ATOM 329 OD2 ASP A 22 5.757 -12.025 -10.383 1.00 25.00 O ATOM 0 H ASP A 22 4.203 -16.370 -10.468 1.00 25.00 H new ATOM 0 HA ASP A 22 3.679 -13.522 -10.704 1.00 25.00 H new ATOM 0 HB2 ASP A 22 5.575 -14.687 -9.417 1.00 25.00 H new ATOM 0 HB3 ASP A 22 6.242 -15.183 -10.960 1.00 25.00 H new ATOM 334 N GLU A 23 4.191 -15.326 -13.301 1.00 25.00 N ATOM 335 CA GLU A 23 4.320 -15.354 -14.747 1.00 25.00 C ATOM 336 C GLU A 23 3.005 -14.949 -15.400 1.00 25.00 C ATOM 337 O GLU A 23 1.917 -15.283 -14.917 1.00 25.00 O ATOM 338 CB GLU A 23 4.726 -16.760 -15.181 1.00 25.00 C ATOM 339 CG GLU A 23 5.153 -16.867 -16.622 1.00 25.00 C ATOM 340 CD GLU A 23 5.651 -18.260 -16.955 1.00 25.00 C ATOM 341 OE1 GLU A 23 6.601 -18.379 -17.760 1.00 25.00 O ATOM 342 OE2 GLU A 23 5.066 -19.242 -16.440 1.00 25.00 O ATOM 0 H GLU A 23 3.940 -16.223 -12.885 1.00 25.00 H new ATOM 0 HA GLU A 23 5.085 -14.645 -15.062 1.00 25.00 H new ATOM 0 HB2 GLU A 23 5.544 -17.101 -14.546 1.00 25.00 H new ATOM 0 HB3 GLU A 23 3.888 -17.436 -15.012 1.00 25.00 H new ATOM 0 HG2 GLU A 23 4.314 -16.615 -17.270 1.00 25.00 H new ATOM 0 HG3 GLU A 23 5.940 -16.141 -16.824 1.00 25.00 H new ATOM 349 N LEU A 24 3.096 -14.217 -16.498 1.00 25.00 N ATOM 350 CA LEU A 24 1.907 -13.807 -17.223 1.00 25.00 C ATOM 351 C LEU A 24 1.487 -14.909 -18.188 1.00 25.00 C ATOM 352 O LEU A 24 2.305 -15.450 -18.923 1.00 25.00 O ATOM 353 CB LEU A 24 2.180 -12.519 -17.996 1.00 25.00 C ATOM 354 CG LEU A 24 1.256 -11.350 -17.643 1.00 25.00 C ATOM 355 CD1 LEU A 24 1.740 -10.098 -18.359 1.00 25.00 C ATOM 356 CD2 LEU A 24 -0.205 -11.645 -18.017 1.00 25.00 C ATOM 0 H LEU A 24 3.975 -13.897 -16.904 1.00 25.00 H new ATOM 0 HA LEU A 24 1.103 -13.627 -16.510 1.00 25.00 H new ATOM 0 HB2 LEU A 24 3.211 -12.216 -17.816 1.00 25.00 H new ATOM 0 HB3 LEU A 24 2.090 -12.726 -19.062 1.00 25.00 H new ATOM 0 HG LEU A 24 1.289 -11.199 -16.564 1.00 25.00 H new ATOM 0 HD11 LEU A 24 1.086 -9.262 -18.112 1.00 25.00 H new ATOM 0 HD12 LEU A 24 2.758 -9.869 -18.043 1.00 25.00 H new ATOM 0 HD13 LEU A 24 1.723 -10.265 -19.436 1.00 25.00 H new ATOM 0 HD21 LEU A 24 -0.828 -10.791 -17.751 1.00 25.00 H new ATOM 0 HD22 LEU A 24 -0.277 -11.826 -19.089 1.00 25.00 H new ATOM 0 HD23 LEU A 24 -0.548 -12.527 -17.477 1.00 25.00 H new ATOM 368 N SER A 25 0.202 -15.220 -18.212 1.00 25.00 N ATOM 369 CA SER A 25 -0.330 -16.184 -19.162 1.00 25.00 C ATOM 370 C SER A 25 -0.660 -15.444 -20.453 1.00 25.00 C ATOM 371 O SER A 25 -1.489 -14.534 -20.456 1.00 25.00 O ATOM 372 CB SER A 25 -1.587 -16.827 -18.584 1.00 25.00 C ATOM 373 OG SER A 25 -2.117 -16.021 -17.538 1.00 25.00 O ATOM 0 H SER A 25 -0.494 -14.818 -17.583 1.00 25.00 H new ATOM 0 HA SER A 25 0.399 -16.969 -19.362 1.00 25.00 H new ATOM 0 HB2 SER A 25 -2.333 -16.953 -19.369 1.00 25.00 H new ATOM 0 HB3 SER A 25 -1.353 -17.821 -18.203 1.00 25.00 H new ATOM 0 HG SER A 25 -2.924 -16.443 -17.177 1.00 25.00 H new ATOM 379 N PHE A 26 -0.011 -15.821 -21.542 1.00 25.00 N ATOM 380 CA PHE A 26 -0.216 -15.166 -22.835 1.00 25.00 C ATOM 381 C PHE A 26 -0.130 -16.209 -23.931 1.00 25.00 C ATOM 382 O PHE A 26 0.355 -17.314 -23.700 1.00 25.00 O ATOM 383 CB PHE A 26 0.848 -14.087 -23.065 1.00 25.00 C ATOM 384 CG PHE A 26 2.257 -14.619 -23.090 1.00 25.00 C ATOM 385 CD1 PHE A 26 2.838 -15.069 -24.292 1.00 25.00 C ATOM 386 CD2 PHE A 26 3.017 -14.657 -21.910 1.00 25.00 C ATOM 387 CE1 PHE A 26 4.168 -15.556 -24.313 1.00 25.00 C ATOM 388 CE2 PHE A 26 4.336 -15.156 -21.914 1.00 25.00 C ATOM 389 CZ PHE A 26 4.917 -15.604 -23.120 1.00 25.00 C ATOM 0 H PHE A 26 0.668 -16.582 -21.562 1.00 25.00 H new ATOM 0 HA PHE A 26 -1.197 -14.691 -22.846 1.00 25.00 H new ATOM 0 HB2 PHE A 26 0.643 -13.583 -24.009 1.00 25.00 H new ATOM 0 HB3 PHE A 26 0.767 -13.336 -22.279 1.00 25.00 H new ATOM 0 HD1 PHE A 26 2.264 -15.042 -25.206 1.00 25.00 H new ATOM 0 HD2 PHE A 26 2.586 -14.299 -20.987 1.00 25.00 H new ATOM 0 HE1 PHE A 26 4.607 -15.890 -25.241 1.00 25.00 H new ATOM 0 HE2 PHE A 26 4.901 -15.195 -20.995 1.00 25.00 H new ATOM 0 HZ PHE A 26 5.929 -15.981 -23.128 1.00 25.00 H new ATOM 399 N ARG A 27 -0.591 -15.883 -25.128 1.00 25.00 N ATOM 400 CA ARG A 27 -0.532 -16.836 -26.235 1.00 25.00 C ATOM 401 C ARG A 27 0.038 -16.214 -27.490 1.00 25.00 C ATOM 402 O ARG A 27 0.022 -15.009 -27.661 1.00 25.00 O ATOM 403 CB ARG A 27 -1.913 -17.448 -26.496 1.00 25.00 C ATOM 404 CG ARG A 27 -2.361 -18.358 -25.349 1.00 25.00 C ATOM 405 CD ARG A 27 -3.652 -19.099 -25.649 1.00 25.00 C ATOM 406 NE ARG A 27 -3.928 -20.105 -24.606 1.00 25.00 N ATOM 407 CZ ARG A 27 -4.569 -19.881 -23.463 1.00 25.00 C ATOM 408 NH1 ARG A 27 -5.045 -18.702 -23.140 1.00 25.00 N ATOM 409 NH2 ARG A 27 -4.731 -20.867 -22.624 1.00 25.00 N ATOM 0 H ARG A 27 -1.005 -14.980 -25.361 1.00 25.00 H new ATOM 0 HA ARG A 27 0.148 -17.636 -25.942 1.00 25.00 H new ATOM 0 HB2 ARG A 27 -2.643 -16.651 -26.633 1.00 25.00 H new ATOM 0 HB3 ARG A 27 -1.887 -18.019 -27.424 1.00 25.00 H new ATOM 0 HG2 ARG A 27 -1.574 -19.082 -25.138 1.00 25.00 H new ATOM 0 HG3 ARG A 27 -2.493 -17.759 -24.448 1.00 25.00 H new ATOM 0 HD2 ARG A 27 -4.479 -18.391 -25.707 1.00 25.00 H new ATOM 0 HD3 ARG A 27 -3.581 -19.586 -26.622 1.00 25.00 H new ATOM 0 HE ARG A 27 -3.598 -21.055 -24.777 1.00 25.00 H new ATOM 0 HH11 ARG A 27 -4.929 -17.913 -23.777 1.00 25.00 H new ATOM 0 HH12 ARG A 27 -5.531 -18.574 -22.252 1.00 25.00 H new ATOM 0 HH21 ARG A 27 -4.368 -21.793 -22.849 1.00 25.00 H new ATOM 0 HH22 ARG A 27 -5.221 -20.712 -21.743 1.00 25.00 H new ATOM 423 N LYS A 28 0.560 -17.064 -28.360 1.00 25.00 N ATOM 424 CA LYS A 28 1.136 -16.629 -29.629 1.00 25.00 C ATOM 425 C LYS A 28 0.089 -15.852 -30.406 1.00 25.00 C ATOM 426 O LYS A 28 -1.062 -16.268 -30.507 1.00 25.00 O ATOM 427 CB LYS A 28 1.654 -17.836 -30.431 1.00 25.00 C ATOM 428 CG LYS A 28 0.661 -19.005 -30.602 1.00 25.00 C ATOM 429 CD LYS A 28 1.406 -20.339 -30.677 1.00 25.00 C ATOM 430 CE LYS A 28 0.444 -21.523 -30.509 1.00 25.00 C ATOM 431 NZ LYS A 28 1.174 -22.773 -30.083 1.00 25.00 N ATOM 0 H LYS A 28 0.598 -18.072 -28.210 1.00 25.00 H new ATOM 0 HA LYS A 28 1.990 -15.978 -29.442 1.00 25.00 H new ATOM 0 HB2 LYS A 28 1.952 -17.490 -31.421 1.00 25.00 H new ATOM 0 HB3 LYS A 28 2.551 -18.215 -29.942 1.00 25.00 H new ATOM 0 HG2 LYS A 28 -0.039 -19.020 -29.766 1.00 25.00 H new ATOM 0 HG3 LYS A 28 0.073 -18.860 -31.508 1.00 25.00 H new ATOM 0 HD2 LYS A 28 1.920 -20.418 -31.635 1.00 25.00 H new ATOM 0 HD3 LYS A 28 2.171 -20.376 -29.901 1.00 25.00 H new ATOM 0 HE2 LYS A 28 -0.315 -21.274 -29.768 1.00 25.00 H new ATOM 0 HE3 LYS A 28 -0.076 -21.707 -31.449 1.00 25.00 H new ATOM 0 HZ1 LYS A 28 0.489 -23.474 -29.736 1.00 25.00 H new ATOM 0 HZ2 LYS A 28 1.691 -23.167 -30.895 1.00 25.00 H new ATOM 0 HZ3 LYS A 28 1.846 -22.541 -29.324 1.00 25.00 H new ATOM 445 N GLY A 29 0.487 -14.695 -30.904 1.00 25.00 N ATOM 446 CA GLY A 29 -0.426 -13.814 -31.607 1.00 25.00 C ATOM 447 C GLY A 29 -0.863 -12.619 -30.781 1.00 25.00 C ATOM 448 O GLY A 29 -1.217 -11.588 -31.350 1.00 25.00 O ATOM 0 H GLY A 29 1.442 -14.343 -30.834 1.00 25.00 H new ATOM 0 HA2 GLY A 29 0.053 -13.460 -32.520 1.00 25.00 H new ATOM 0 HA3 GLY A 29 -1.307 -14.381 -31.908 1.00 25.00 H new ATOM 452 N ASP A 30 -0.838 -12.752 -29.460 1.00 25.00 N ATOM 453 CA ASP A 30 -1.306 -11.702 -28.550 1.00 25.00 C ATOM 454 C ASP A 30 -0.341 -10.513 -28.508 1.00 25.00 C ATOM 455 O ASP A 30 0.822 -10.632 -28.916 1.00 25.00 O ATOM 456 CB ASP A 30 -1.462 -12.293 -27.144 1.00 25.00 C ATOM 457 CG ASP A 30 -2.522 -11.590 -26.321 1.00 25.00 C ATOM 458 OD1 ASP A 30 -2.865 -12.128 -25.250 1.00 25.00 O ATOM 459 OD2 ASP A 30 -3.047 -10.546 -26.756 1.00 25.00 O ATOM 0 H ASP A 30 -0.494 -13.587 -28.986 1.00 25.00 H new ATOM 0 HA ASP A 30 -2.264 -11.334 -28.916 1.00 25.00 H new ATOM 0 HB2 ASP A 30 -1.715 -13.350 -27.226 1.00 25.00 H new ATOM 0 HB3 ASP A 30 -0.507 -12.234 -26.623 1.00 25.00 H new ATOM 464 N ILE A 31 -0.832 -9.378 -28.027 1.00 25.00 N ATOM 465 CA ILE A 31 -0.069 -8.132 -27.965 1.00 25.00 C ATOM 466 C ILE A 31 -0.026 -7.670 -26.511 1.00 25.00 C ATOM 467 O ILE A 31 -1.057 -7.611 -25.857 1.00 25.00 O ATOM 468 CB ILE A 31 -0.764 -7.001 -28.804 1.00 25.00 C ATOM 469 CG1 ILE A 31 -1.135 -7.492 -30.224 1.00 25.00 C ATOM 470 CG2 ILE A 31 0.136 -5.732 -28.863 1.00 25.00 C ATOM 471 CD1 ILE A 31 0.035 -7.887 -31.114 1.00 25.00 C ATOM 0 H ILE A 31 -1.781 -9.293 -27.664 1.00 25.00 H new ATOM 0 HA ILE A 31 0.928 -8.314 -28.366 1.00 25.00 H new ATOM 0 HB ILE A 31 -1.695 -6.736 -28.302 1.00 25.00 H new ATOM 0 HG12 ILE A 31 -1.801 -8.350 -30.129 1.00 25.00 H new ATOM 0 HG13 ILE A 31 -1.699 -6.705 -30.725 1.00 25.00 H new ATOM 0 HG21 ILE A 31 -0.362 -4.959 -29.449 1.00 25.00 H new ATOM 0 HG22 ILE A 31 0.313 -5.364 -27.852 1.00 25.00 H new ATOM 0 HG23 ILE A 31 1.089 -5.983 -29.330 1.00 25.00 H new ATOM 0 HD11 ILE A 31 -0.340 -8.215 -32.084 1.00 25.00 H new ATOM 0 HD12 ILE A 31 0.694 -7.030 -31.251 1.00 25.00 H new ATOM 0 HD13 ILE A 31 0.590 -8.700 -30.646 1.00 25.00 H new ATOM 483 N MET A 32 1.152 -7.330 -26.012 1.00 25.00 N ATOM 484 CA MET A 32 1.296 -6.870 -24.629 1.00 25.00 C ATOM 485 C MET A 32 2.285 -5.721 -24.563 1.00 25.00 C ATOM 486 O MET A 32 3.163 -5.597 -25.427 1.00 25.00 O ATOM 487 CB MET A 32 1.764 -8.028 -23.745 1.00 25.00 C ATOM 488 CG MET A 32 3.163 -8.538 -24.084 1.00 25.00 C ATOM 489 SD MET A 32 3.458 -10.159 -23.373 1.00 25.00 S ATOM 490 CE MET A 32 2.550 -11.192 -24.535 1.00 25.00 C ATOM 0 H MET A 32 2.025 -7.362 -26.539 1.00 25.00 H new ATOM 0 HA MET A 32 0.331 -6.518 -24.266 1.00 25.00 H new ATOM 0 HB2 MET A 32 1.747 -7.707 -22.703 1.00 25.00 H new ATOM 0 HB3 MET A 32 1.056 -8.851 -23.836 1.00 25.00 H new ATOM 0 HG2 MET A 32 3.282 -8.586 -25.166 1.00 25.00 H new ATOM 0 HG3 MET A 32 3.908 -7.835 -23.713 1.00 25.00 H new ATOM 0 HE1 MET A 32 2.999 -12.185 -24.567 1.00 25.00 H new ATOM 0 HE2 MET A 32 1.511 -11.274 -24.215 1.00 25.00 H new ATOM 0 HE3 MET A 32 2.589 -10.744 -25.528 1.00 25.00 H new ATOM 500 N THR A 33 2.143 -4.873 -23.557 1.00 25.00 N ATOM 501 CA THR A 33 3.046 -3.740 -23.386 1.00 25.00 C ATOM 502 C THR A 33 4.232 -4.218 -22.564 1.00 25.00 C ATOM 503 O THR A 33 4.048 -4.841 -21.526 1.00 25.00 O ATOM 504 CB THR A 33 2.332 -2.578 -22.661 1.00 25.00 C ATOM 505 OG1 THR A 33 1.130 -2.256 -23.367 1.00 25.00 O ATOM 506 CG2 THR A 33 3.193 -1.318 -22.602 1.00 25.00 C ATOM 0 H THR A 33 1.414 -4.945 -22.847 1.00 25.00 H new ATOM 0 HA THR A 33 3.374 -3.371 -24.358 1.00 25.00 H new ATOM 0 HB THR A 33 2.127 -2.906 -21.642 1.00 25.00 H new ATOM 0 HG1 THR A 33 0.670 -1.520 -22.912 1.00 25.00 H new ATOM 0 HG21 THR A 33 2.648 -0.529 -22.083 1.00 25.00 H new ATOM 0 HG22 THR A 33 4.117 -1.534 -22.066 1.00 25.00 H new ATOM 0 HG23 THR A 33 3.429 -0.991 -23.615 1.00 25.00 H new ATOM 514 N VAL A 34 5.440 -3.928 -23.021 1.00 25.00 N ATOM 515 CA VAL A 34 6.653 -4.262 -22.271 1.00 25.00 C ATOM 516 C VAL A 34 7.006 -3.004 -21.498 1.00 25.00 C ATOM 517 O VAL A 34 7.266 -1.941 -22.078 1.00 25.00 O ATOM 518 CB VAL A 34 7.831 -4.688 -23.196 1.00 25.00 C ATOM 519 CG1 VAL A 34 9.137 -4.827 -22.392 1.00 25.00 C ATOM 520 CG2 VAL A 34 7.518 -6.027 -23.888 1.00 25.00 C ATOM 0 H VAL A 34 5.613 -3.460 -23.911 1.00 25.00 H new ATOM 0 HA VAL A 34 6.477 -5.118 -21.619 1.00 25.00 H new ATOM 0 HB VAL A 34 7.957 -3.911 -23.950 1.00 25.00 H new ATOM 0 HG11 VAL A 34 9.945 -5.125 -23.060 1.00 25.00 H new ATOM 0 HG12 VAL A 34 9.383 -3.871 -21.929 1.00 25.00 H new ATOM 0 HG13 VAL A 34 9.009 -5.583 -21.617 1.00 25.00 H new ATOM 0 HG21 VAL A 34 8.353 -6.308 -24.530 1.00 25.00 H new ATOM 0 HG22 VAL A 34 7.364 -6.799 -23.134 1.00 25.00 H new ATOM 0 HG23 VAL A 34 6.616 -5.923 -24.490 1.00 25.00 H new ATOM 530 N LEU A 35 6.958 -3.115 -20.183 1.00 25.00 N ATOM 531 CA LEU A 35 7.195 -1.982 -19.311 1.00 25.00 C ATOM 532 C LEU A 35 8.677 -1.857 -19.031 1.00 25.00 C ATOM 533 O LEU A 35 9.236 -0.774 -19.111 1.00 25.00 O ATOM 534 CB LEU A 35 6.443 -2.174 -17.987 1.00 25.00 C ATOM 535 CG LEU A 35 4.923 -2.392 -18.087 1.00 25.00 C ATOM 536 CD1 LEU A 35 4.378 -2.687 -16.698 1.00 25.00 C ATOM 537 CD2 LEU A 35 4.199 -1.180 -18.672 1.00 25.00 C ATOM 0 H LEU A 35 6.755 -3.987 -19.693 1.00 25.00 H new ATOM 0 HA LEU A 35 6.837 -1.076 -19.801 1.00 25.00 H new ATOM 0 HB2 LEU A 35 6.877 -3.029 -17.469 1.00 25.00 H new ATOM 0 HB3 LEU A 35 6.622 -1.299 -17.363 1.00 25.00 H new ATOM 0 HG LEU A 35 4.747 -3.230 -18.761 1.00 25.00 H new ATOM 0 HD11 LEU A 35 3.301 -2.844 -16.755 1.00 25.00 H new ATOM 0 HD12 LEU A 35 4.855 -3.584 -16.303 1.00 25.00 H new ATOM 0 HD13 LEU A 35 4.588 -1.845 -16.038 1.00 25.00 H new ATOM 0 HD21 LEU A 35 3.129 -1.384 -18.722 1.00 25.00 H new ATOM 0 HD22 LEU A 35 4.373 -0.311 -18.038 1.00 25.00 H new ATOM 0 HD23 LEU A 35 4.577 -0.979 -19.674 1.00 25.00 H new ATOM 549 N GLU A 36 9.301 -2.983 -18.721 1.00 25.00 N ATOM 550 CA GLU A 36 10.719 -3.020 -18.371 1.00 25.00 C ATOM 551 C GLU A 36 11.318 -4.322 -18.875 1.00 25.00 C ATOM 552 O GLU A 36 10.591 -5.230 -19.276 1.00 25.00 O ATOM 553 CB GLU A 36 10.893 -2.921 -16.854 1.00 25.00 C ATOM 554 CG GLU A 36 11.863 -1.824 -16.445 1.00 25.00 C ATOM 555 CD GLU A 36 11.276 -0.436 -16.648 1.00 25.00 C ATOM 556 OE1 GLU A 36 11.755 0.297 -17.551 1.00 25.00 O ATOM 557 OE2 GLU A 36 10.329 -0.080 -15.917 1.00 25.00 O ATOM 0 H GLU A 36 8.844 -3.895 -18.704 1.00 25.00 H new ATOM 0 HA GLU A 36 11.229 -2.175 -18.834 1.00 25.00 H new ATOM 0 HB2 GLU A 36 9.923 -2.734 -16.393 1.00 25.00 H new ATOM 0 HB3 GLU A 36 11.249 -3.877 -16.470 1.00 25.00 H new ATOM 0 HG2 GLU A 36 12.134 -1.953 -15.397 1.00 25.00 H new ATOM 0 HG3 GLU A 36 12.781 -1.917 -17.026 1.00 25.00 H new ATOM 564 N ARG A 37 12.638 -4.430 -18.835 1.00 25.00 N ATOM 565 CA ARG A 37 13.334 -5.632 -19.290 1.00 25.00 C ATOM 566 C ARG A 37 14.299 -6.072 -18.217 1.00 25.00 C ATOM 567 O ARG A 37 14.737 -5.253 -17.425 1.00 25.00 O ATOM 568 CB ARG A 37 14.132 -5.339 -20.554 1.00 25.00 C ATOM 569 CG ARG A 37 13.293 -5.147 -21.795 1.00 25.00 C ATOM 570 CD ARG A 37 14.170 -4.953 -23.028 1.00 25.00 C ATOM 571 NE ARG A 37 14.701 -3.579 -23.125 1.00 25.00 N ATOM 572 CZ ARG A 37 15.889 -3.168 -22.689 1.00 25.00 C ATOM 573 NH1 ARG A 37 16.750 -3.957 -22.091 1.00 25.00 N ATOM 574 NH2 ARG A 37 16.214 -1.916 -22.863 1.00 25.00 N ATOM 0 H ARG A 37 13.256 -3.695 -18.490 1.00 25.00 H new ATOM 0 HA ARG A 37 12.597 -6.408 -19.497 1.00 25.00 H new ATOM 0 HB2 ARG A 37 14.728 -4.441 -20.392 1.00 25.00 H new ATOM 0 HB3 ARG A 37 14.830 -6.159 -20.726 1.00 25.00 H new ATOM 0 HG2 ARG A 37 12.646 -6.013 -21.938 1.00 25.00 H new ATOM 0 HG3 ARG A 37 12.643 -4.281 -21.668 1.00 25.00 H new ATOM 0 HD2 ARG A 37 14.999 -5.660 -22.997 1.00 25.00 H new ATOM 0 HD3 ARG A 37 13.591 -5.181 -23.923 1.00 25.00 H new ATOM 0 HE ARG A 37 14.103 -2.881 -23.567 1.00 25.00 H new ATOM 0 HH11 ARG A 37 16.522 -4.940 -21.940 1.00 25.00 H new ATOM 0 HH12 ARG A 37 17.647 -3.588 -21.777 1.00 25.00 H new ATOM 0 HH21 ARG A 37 15.563 -1.279 -23.323 1.00 25.00 H new ATOM 0 HH22 ARG A 37 17.119 -1.574 -22.538 1.00 25.00 H new ATOM 588 N ASP A 38 14.628 -7.359 -18.239 1.00 25.00 N ATOM 589 CA ASP A 38 15.636 -7.967 -17.357 1.00 25.00 C ATOM 590 C ASP A 38 15.236 -7.734 -15.894 1.00 25.00 C ATOM 591 O ASP A 38 16.050 -7.523 -15.002 1.00 25.00 O ATOM 592 CB ASP A 38 17.012 -7.412 -17.748 1.00 25.00 C ATOM 593 CG ASP A 38 17.212 -7.416 -19.274 1.00 25.00 C ATOM 594 OD1 ASP A 38 17.424 -6.323 -19.865 1.00 25.00 O ATOM 595 OD2 ASP A 38 16.965 -8.480 -19.906 1.00 25.00 O ATOM 0 H ASP A 38 14.198 -8.027 -18.879 1.00 25.00 H new ATOM 0 HA ASP A 38 15.693 -9.049 -17.473 1.00 25.00 H new ATOM 0 HB2 ASP A 38 17.116 -6.395 -17.370 1.00 25.00 H new ATOM 0 HB3 ASP A 38 17.793 -8.009 -17.277 1.00 25.00 H new ATOM 600 N THR A 39 13.922 -7.740 -15.697 1.00 25.00 N ATOM 601 CA THR A 39 13.290 -7.292 -14.451 1.00 25.00 C ATOM 602 C THR A 39 13.495 -8.200 -13.246 1.00 25.00 C ATOM 603 O THR A 39 13.294 -7.779 -12.114 1.00 25.00 O ATOM 604 CB THR A 39 11.755 -7.129 -14.676 1.00 25.00 C ATOM 605 OG1 THR A 39 11.171 -6.430 -13.575 1.00 25.00 O ATOM 606 CG2 THR A 39 11.050 -8.492 -14.829 1.00 25.00 C ATOM 0 H THR A 39 13.256 -8.058 -16.401 1.00 25.00 H new ATOM 0 HA THR A 39 13.784 -6.350 -14.212 1.00 25.00 H new ATOM 0 HB THR A 39 11.621 -6.564 -15.599 1.00 25.00 H new ATOM 0 HG1 THR A 39 11.693 -6.603 -12.764 1.00 25.00 H new ATOM 0 HG21 THR A 39 9.983 -8.334 -14.984 1.00 25.00 H new ATOM 0 HG22 THR A 39 11.466 -9.023 -15.685 1.00 25.00 H new ATOM 0 HG23 THR A 39 11.202 -9.084 -13.926 1.00 25.00 H new ATOM 614 N GLN A 40 13.862 -9.449 -13.490 1.00 25.00 N ATOM 615 CA GLN A 40 13.994 -10.430 -12.412 1.00 25.00 C ATOM 616 C GLN A 40 15.460 -10.617 -12.042 1.00 25.00 C ATOM 617 O GLN A 40 15.808 -11.487 -11.254 1.00 25.00 O ATOM 618 CB GLN A 40 13.389 -11.766 -12.863 1.00 25.00 C ATOM 619 CG GLN A 40 12.779 -12.606 -11.727 1.00 25.00 C ATOM 620 CD GLN A 40 11.374 -12.155 -11.357 1.00 25.00 C ATOM 621 OE1 GLN A 40 11.049 -10.983 -11.421 1.00 25.00 O ATOM 622 NE2 GLN A 40 10.539 -13.092 -10.999 1.00 25.00 N ATOM 0 H GLN A 40 14.074 -9.811 -14.420 1.00 25.00 H new ATOM 0 HA GLN A 40 13.461 -10.069 -11.533 1.00 25.00 H new ATOM 0 HB2 GLN A 40 12.617 -11.568 -13.606 1.00 25.00 H new ATOM 0 HB3 GLN A 40 14.164 -12.353 -13.356 1.00 25.00 H new ATOM 0 HG2 GLN A 40 12.753 -13.653 -12.028 1.00 25.00 H new ATOM 0 HG3 GLN A 40 13.421 -12.542 -10.848 1.00 25.00 H new ATOM 0 HE21 GLN A 40 10.849 -14.063 -10.957 1.00 25.00 H new ATOM 0 HE22 GLN A 40 9.576 -12.853 -10.761 1.00 25.00 H new ATOM 631 N GLY A 41 16.328 -9.852 -12.692 1.00 25.00 N ATOM 632 CA GLY A 41 17.761 -10.056 -12.540 1.00 25.00 C ATOM 633 C GLY A 41 18.204 -11.163 -13.476 1.00 25.00 C ATOM 634 O GLY A 41 19.379 -11.492 -13.577 1.00 25.00 O ATOM 0 H GLY A 41 16.068 -9.093 -13.322 1.00 25.00 H new ATOM 0 HA2 GLY A 41 18.298 -9.135 -12.765 1.00 25.00 H new ATOM 0 HA3 GLY A 41 17.997 -10.318 -11.509 1.00 25.00 H new ATOM 638 N LEU A 42 17.229 -11.729 -14.174 1.00 25.00 N ATOM 639 CA LEU A 42 17.464 -12.758 -15.170 1.00 25.00 C ATOM 640 C LEU A 42 17.402 -12.071 -16.519 1.00 25.00 C ATOM 641 O LEU A 42 16.371 -11.481 -16.877 1.00 25.00 O ATOM 642 CB LEU A 42 16.380 -13.843 -15.099 1.00 25.00 C ATOM 643 CG LEU A 42 16.272 -14.645 -13.793 1.00 25.00 C ATOM 644 CD1 LEU A 42 15.051 -15.563 -13.871 1.00 25.00 C ATOM 645 CD2 LEU A 42 17.532 -15.474 -13.535 1.00 25.00 C ATOM 0 H LEU A 42 16.246 -11.483 -14.062 1.00 25.00 H new ATOM 0 HA LEU A 42 18.427 -13.241 -15.003 1.00 25.00 H new ATOM 0 HB2 LEU A 42 15.416 -13.370 -15.285 1.00 25.00 H new ATOM 0 HB3 LEU A 42 16.552 -14.546 -15.914 1.00 25.00 H new ATOM 0 HG LEU A 42 16.164 -13.944 -12.965 1.00 25.00 H new ATOM 0 HD11 LEU A 42 14.967 -16.136 -12.948 1.00 25.00 H new ATOM 0 HD12 LEU A 42 14.152 -14.962 -14.008 1.00 25.00 H new ATOM 0 HD13 LEU A 42 15.163 -16.246 -14.713 1.00 25.00 H new ATOM 0 HD21 LEU A 42 17.419 -16.028 -12.603 1.00 25.00 H new ATOM 0 HD22 LEU A 42 17.682 -16.174 -14.357 1.00 25.00 H new ATOM 0 HD23 LEU A 42 18.395 -14.812 -13.461 1.00 25.00 H new ATOM 657 N ASP A 43 18.497 -12.128 -17.254 1.00 25.00 N ATOM 658 CA ASP A 43 18.567 -11.510 -18.569 1.00 25.00 C ATOM 659 C ASP A 43 17.513 -12.132 -19.471 1.00 25.00 C ATOM 660 O ASP A 43 17.316 -13.351 -19.488 1.00 25.00 O ATOM 661 CB ASP A 43 19.950 -11.718 -19.187 1.00 25.00 C ATOM 662 CG ASP A 43 21.037 -10.976 -18.442 1.00 25.00 C ATOM 663 OD1 ASP A 43 21.929 -11.649 -17.882 1.00 25.00 O ATOM 664 OD2 ASP A 43 21.005 -9.729 -18.417 1.00 25.00 O ATOM 0 H ASP A 43 19.354 -12.598 -16.963 1.00 25.00 H new ATOM 0 HA ASP A 43 18.387 -10.440 -18.466 1.00 25.00 H new ATOM 0 HB2 ASP A 43 20.183 -12.783 -19.197 1.00 25.00 H new ATOM 0 HB3 ASP A 43 19.934 -11.386 -20.225 1.00 25.00 H new ATOM 669 N GLY A 44 16.823 -11.286 -20.215 1.00 25.00 N ATOM 670 CA GLY A 44 15.820 -11.753 -21.153 1.00 25.00 C ATOM 671 C GLY A 44 14.426 -11.943 -20.585 1.00 25.00 C ATOM 672 O GLY A 44 13.518 -12.268 -21.342 1.00 25.00 O ATOM 0 H GLY A 44 16.939 -10.273 -20.187 1.00 25.00 H new ATOM 0 HA2 GLY A 44 15.762 -11.043 -21.978 1.00 25.00 H new ATOM 0 HA3 GLY A 44 16.154 -12.702 -21.572 1.00 25.00 H new ATOM 676 N TRP A 45 14.216 -11.726 -19.294 1.00 25.00 N ATOM 677 CA TRP A 45 12.865 -11.810 -18.717 1.00 25.00 C ATOM 678 C TRP A 45 12.311 -10.404 -18.566 1.00 25.00 C ATOM 679 O TRP A 45 12.898 -9.574 -17.890 1.00 25.00 O ATOM 680 CB TRP A 45 12.891 -12.519 -17.370 1.00 25.00 C ATOM 681 CG TRP A 45 12.915 -14.002 -17.529 1.00 25.00 C ATOM 682 CD1 TRP A 45 14.001 -14.800 -17.692 1.00 25.00 C ATOM 683 CD2 TRP A 45 11.780 -14.890 -17.566 1.00 25.00 C ATOM 684 NE1 TRP A 45 13.647 -16.112 -17.815 1.00 25.00 N ATOM 685 CE2 TRP A 45 12.284 -16.211 -17.746 1.00 25.00 C ATOM 686 CE3 TRP A 45 10.387 -14.702 -17.467 1.00 25.00 C ATOM 687 CZ2 TRP A 45 11.438 -17.338 -17.819 1.00 25.00 C ATOM 688 CZ3 TRP A 45 9.532 -15.832 -17.533 1.00 25.00 C ATOM 689 CH2 TRP A 45 10.071 -17.139 -17.710 1.00 25.00 C ATOM 0 H TRP A 45 14.950 -11.492 -18.625 1.00 25.00 H new ATOM 0 HA TRP A 45 12.225 -12.390 -19.381 1.00 25.00 H new ATOM 0 HB2 TRP A 45 13.768 -12.199 -16.807 1.00 25.00 H new ATOM 0 HB3 TRP A 45 12.016 -12.229 -16.789 1.00 25.00 H new ATOM 0 HD1 TRP A 45 15.019 -14.441 -17.721 1.00 25.00 H new ATOM 0 HE1 TRP A 45 14.293 -16.892 -17.938 1.00 25.00 H new ATOM 0 HE3 TRP A 45 9.976 -13.711 -17.343 1.00 25.00 H new ATOM 0 HZ2 TRP A 45 11.845 -18.329 -17.956 1.00 25.00 H new ATOM 0 HZ3 TRP A 45 8.463 -15.700 -17.448 1.00 25.00 H new ATOM 0 HH2 TRP A 45 9.404 -17.987 -17.760 1.00 25.00 H new ATOM 700 N TRP A 46 11.231 -10.102 -19.269 1.00 25.00 N ATOM 701 CA TRP A 46 10.724 -8.742 -19.339 1.00 25.00 C ATOM 702 C TRP A 46 9.453 -8.598 -18.523 1.00 25.00 C ATOM 703 O TRP A 46 8.665 -9.534 -18.421 1.00 25.00 O ATOM 704 CB TRP A 46 10.447 -8.387 -20.801 1.00 25.00 C ATOM 705 CG TRP A 46 11.672 -8.468 -21.702 1.00 25.00 C ATOM 706 CD1 TRP A 46 12.967 -8.718 -21.344 1.00 25.00 C ATOM 707 CD2 TRP A 46 11.705 -8.303 -23.132 1.00 25.00 C ATOM 708 NE1 TRP A 46 13.800 -8.718 -22.420 1.00 25.00 N ATOM 709 CE2 TRP A 46 13.063 -8.475 -23.548 1.00 25.00 C ATOM 710 CE3 TRP A 46 10.726 -8.048 -24.111 1.00 25.00 C ATOM 711 CZ2 TRP A 46 13.454 -8.391 -24.900 1.00 25.00 C ATOM 712 CZ3 TRP A 46 11.112 -7.974 -25.472 1.00 25.00 C ATOM 713 CH2 TRP A 46 12.477 -8.141 -25.849 1.00 25.00 C ATOM 0 H TRP A 46 10.688 -10.783 -19.800 1.00 25.00 H new ATOM 0 HA TRP A 46 11.471 -8.063 -18.927 1.00 25.00 H new ATOM 0 HB2 TRP A 46 9.680 -9.058 -21.188 1.00 25.00 H new ATOM 0 HB3 TRP A 46 10.041 -7.377 -20.848 1.00 25.00 H new ATOM 0 HD1 TRP A 46 13.290 -8.894 -20.329 1.00 25.00 H new ATOM 0 HE1 TRP A 46 14.808 -8.873 -22.391 1.00 25.00 H new ATOM 0 HE3 TRP A 46 9.693 -7.910 -23.828 1.00 25.00 H new ATOM 0 HZ2 TRP A 46 14.487 -8.518 -25.188 1.00 25.00 H new ATOM 0 HZ3 TRP A 46 10.366 -7.789 -26.231 1.00 25.00 H new ATOM 0 HH2 TRP A 46 12.753 -8.071 -26.891 1.00 25.00 H new ATOM 724 N LEU A 47 9.246 -7.418 -17.962 1.00 25.00 N ATOM 725 CA LEU A 47 8.032 -7.129 -17.213 1.00 25.00 C ATOM 726 C LEU A 47 7.013 -6.626 -18.211 1.00 25.00 C ATOM 727 O LEU A 47 7.193 -5.558 -18.796 1.00 25.00 O ATOM 728 CB LEU A 47 8.282 -6.049 -16.156 1.00 25.00 C ATOM 729 CG LEU A 47 7.076 -5.707 -15.269 1.00 25.00 C ATOM 730 CD1 LEU A 47 6.683 -6.892 -14.375 1.00 25.00 C ATOM 731 CD2 LEU A 47 7.416 -4.498 -14.406 1.00 25.00 C ATOM 0 H LEU A 47 9.905 -6.641 -18.011 1.00 25.00 H new ATOM 0 HA LEU A 47 7.687 -8.024 -16.696 1.00 25.00 H new ATOM 0 HB2 LEU A 47 9.102 -6.373 -15.516 1.00 25.00 H new ATOM 0 HB3 LEU A 47 8.611 -5.140 -16.660 1.00 25.00 H new ATOM 0 HG LEU A 47 6.227 -5.480 -15.913 1.00 25.00 H new ATOM 0 HD11 LEU A 47 5.826 -6.616 -13.760 1.00 25.00 H new ATOM 0 HD12 LEU A 47 6.422 -7.747 -14.998 1.00 25.00 H new ATOM 0 HD13 LEU A 47 7.522 -7.156 -13.731 1.00 25.00 H new ATOM 0 HD21 LEU A 47 6.563 -4.251 -13.774 1.00 25.00 H new ATOM 0 HD22 LEU A 47 8.277 -4.729 -13.779 1.00 25.00 H new ATOM 0 HD23 LEU A 47 7.651 -3.648 -15.047 1.00 25.00 H new ATOM 743 N CYS A 48 5.956 -7.387 -18.424 1.00 25.00 N ATOM 744 CA CYS A 48 4.919 -6.989 -19.358 1.00 25.00 C ATOM 745 C CYS A 48 3.597 -6.795 -18.642 1.00 25.00 C ATOM 746 O CYS A 48 3.399 -7.322 -17.551 1.00 25.00 O ATOM 747 CB CYS A 48 4.775 -8.047 -20.444 1.00 25.00 C ATOM 748 SG CYS A 48 6.339 -8.391 -21.275 1.00 25.00 S ATOM 0 H CYS A 48 5.793 -8.283 -17.964 1.00 25.00 H new ATOM 0 HA CYS A 48 5.203 -6.040 -19.813 1.00 25.00 H new ATOM 0 HB2 CYS A 48 4.390 -8.967 -20.004 1.00 25.00 H new ATOM 0 HB3 CYS A 48 4.041 -7.714 -21.178 1.00 25.00 H new ATOM 0 HG CYS A 48 6.150 -8.418 -22.561 1.00 25.00 H new ATOM 754 N SER A 49 2.691 -6.062 -19.269 1.00 25.00 N ATOM 755 CA SER A 49 1.340 -5.868 -18.755 1.00 25.00 C ATOM 756 C SER A 49 0.329 -6.396 -19.764 1.00 25.00 C ATOM 757 O SER A 49 0.389 -6.079 -20.961 1.00 25.00 O ATOM 758 CB SER A 49 1.083 -4.394 -18.466 1.00 25.00 C ATOM 759 OG SER A 49 1.580 -3.578 -19.506 1.00 25.00 O ATOM 0 H SER A 49 2.870 -5.583 -20.151 1.00 25.00 H new ATOM 0 HA SER A 49 1.234 -6.420 -17.821 1.00 25.00 H new ATOM 0 HB2 SER A 49 0.013 -4.225 -18.347 1.00 25.00 H new ATOM 0 HB3 SER A 49 1.557 -4.117 -17.524 1.00 25.00 H new ATOM 0 HG SER A 49 1.401 -2.637 -19.298 1.00 25.00 H new ATOM 765 N LEU A 50 -0.577 -7.233 -19.275 1.00 25.00 N ATOM 766 CA LEU A 50 -1.601 -7.884 -20.091 1.00 25.00 C ATOM 767 C LEU A 50 -2.669 -8.375 -19.118 1.00 25.00 C ATOM 768 O LEU A 50 -2.355 -8.632 -17.964 1.00 25.00 O ATOM 769 CB LEU A 50 -0.984 -9.073 -20.843 1.00 25.00 C ATOM 770 CG LEU A 50 -1.881 -9.861 -21.813 1.00 25.00 C ATOM 771 CD1 LEU A 50 -2.318 -9.006 -22.997 1.00 25.00 C ATOM 772 CD2 LEU A 50 -1.122 -11.078 -22.305 1.00 25.00 C ATOM 0 H LEU A 50 -0.624 -7.484 -18.287 1.00 25.00 H new ATOM 0 HA LEU A 50 -2.022 -7.203 -20.830 1.00 25.00 H new ATOM 0 HB2 LEU A 50 -0.128 -8.703 -21.407 1.00 25.00 H new ATOM 0 HB3 LEU A 50 -0.599 -9.773 -20.101 1.00 25.00 H new ATOM 0 HG LEU A 50 -2.782 -10.167 -21.281 1.00 25.00 H new ATOM 0 HD11 LEU A 50 -2.950 -9.598 -23.659 1.00 25.00 H new ATOM 0 HD12 LEU A 50 -2.878 -8.143 -22.636 1.00 25.00 H new ATOM 0 HD13 LEU A 50 -1.439 -8.665 -23.543 1.00 25.00 H new ATOM 0 HD21 LEU A 50 -1.749 -11.644 -22.994 1.00 25.00 H new ATOM 0 HD22 LEU A 50 -0.216 -10.758 -22.819 1.00 25.00 H new ATOM 0 HD23 LEU A 50 -0.855 -11.708 -21.456 1.00 25.00 H new ATOM 784 N HIS A 51 -3.913 -8.496 -19.565 1.00 25.00 N ATOM 785 CA HIS A 51 -5.014 -9.023 -18.730 1.00 25.00 C ATOM 786 C HIS A 51 -5.234 -8.198 -17.441 1.00 25.00 C ATOM 787 O HIS A 51 -5.700 -8.708 -16.425 1.00 25.00 O ATOM 788 CB HIS A 51 -4.744 -10.507 -18.392 1.00 25.00 C ATOM 789 CG HIS A 51 -5.988 -11.321 -18.189 1.00 25.00 C ATOM 790 ND1 HIS A 51 -6.889 -11.124 -17.176 1.00 25.00 N ATOM 791 CD2 HIS A 51 -6.477 -12.380 -18.892 1.00 25.00 C ATOM 792 CE1 HIS A 51 -7.856 -12.026 -17.291 1.00 25.00 C ATOM 793 NE2 HIS A 51 -7.657 -12.821 -18.322 1.00 25.00 N ATOM 0 H HIS A 51 -4.198 -8.236 -20.509 1.00 25.00 H new ATOM 0 HA HIS A 51 -5.934 -8.940 -19.308 1.00 25.00 H new ATOM 0 HB2 HIS A 51 -4.158 -10.952 -19.196 1.00 25.00 H new ATOM 0 HB3 HIS A 51 -4.136 -10.559 -17.489 1.00 25.00 H new ATOM 0 HD1 HIS A 51 -6.827 -10.405 -16.455 1.00 25.00 H new ATOM 0 HD2 HIS A 51 -6.012 -12.812 -19.766 1.00 25.00 H new ATOM 0 HE1 HIS A 51 -8.701 -12.099 -16.622 1.00 25.00 H new ATOM 801 N GLY A 52 -4.893 -6.917 -17.487 1.00 25.00 N ATOM 802 CA GLY A 52 -5.096 -6.048 -16.333 1.00 25.00 C ATOM 803 C GLY A 52 -4.133 -6.305 -15.185 1.00 25.00 C ATOM 804 O GLY A 52 -4.374 -5.865 -14.068 1.00 25.00 O ATOM 0 H GLY A 52 -4.480 -6.460 -18.300 1.00 25.00 H new ATOM 0 HA2 GLY A 52 -4.996 -5.010 -16.651 1.00 25.00 H new ATOM 0 HA3 GLY A 52 -6.117 -6.174 -15.972 1.00 25.00 H new ATOM 808 N ARG A 53 -3.041 -7.007 -15.462 1.00 25.00 N ATOM 809 CA ARG A 53 -2.027 -7.297 -14.454 1.00 25.00 C ATOM 810 C ARG A 53 -0.660 -7.191 -15.092 1.00 25.00 C ATOM 811 O ARG A 53 -0.543 -7.156 -16.317 1.00 25.00 O ATOM 812 CB ARG A 53 -2.235 -8.699 -13.853 1.00 25.00 C ATOM 813 CG ARG A 53 -2.011 -9.876 -14.827 1.00 25.00 C ATOM 814 CD ARG A 53 -1.106 -10.949 -14.215 1.00 25.00 C ATOM 815 NE ARG A 53 -1.716 -12.290 -14.257 1.00 25.00 N ATOM 816 CZ ARG A 53 -1.118 -13.404 -13.839 1.00 25.00 C ATOM 817 NH1 ARG A 53 0.094 -13.402 -13.356 1.00 25.00 N ATOM 818 NH2 ARG A 53 -1.759 -14.538 -13.907 1.00 25.00 N ATOM 0 H ARG A 53 -2.833 -7.389 -16.385 1.00 25.00 H new ATOM 0 HA ARG A 53 -2.110 -6.575 -13.641 1.00 25.00 H new ATOM 0 HB2 ARG A 53 -1.559 -8.817 -13.006 1.00 25.00 H new ATOM 0 HB3 ARG A 53 -3.250 -8.761 -13.462 1.00 25.00 H new ATOM 0 HG2 ARG A 53 -2.972 -10.317 -15.092 1.00 25.00 H new ATOM 0 HG3 ARG A 53 -1.565 -9.506 -15.750 1.00 25.00 H new ATOM 0 HD2 ARG A 53 -0.157 -10.968 -14.750 1.00 25.00 H new ATOM 0 HD3 ARG A 53 -0.884 -10.686 -13.181 1.00 25.00 H new ATOM 0 HE ARG A 53 -2.661 -12.370 -14.632 1.00 25.00 H new ATOM 0 HH11 ARG A 53 0.615 -12.528 -13.289 1.00 25.00 H new ATOM 0 HH12 ARG A 53 0.521 -14.275 -13.045 1.00 25.00 H new ATOM 0 HH21 ARG A 53 -2.709 -14.565 -14.278 1.00 25.00 H new ATOM 0 HH22 ARG A 53 -1.310 -15.397 -13.590 1.00 25.00 H new ATOM 832 N GLN A 54 0.373 -7.172 -14.272 1.00 25.00 N ATOM 833 CA GLN A 54 1.739 -7.219 -14.765 1.00 25.00 C ATOM 834 C GLN A 54 2.251 -8.593 -14.382 1.00 25.00 C ATOM 835 O GLN A 54 1.727 -9.200 -13.450 1.00 25.00 O ATOM 836 CB GLN A 54 2.617 -6.131 -14.135 1.00 25.00 C ATOM 837 CG GLN A 54 2.219 -4.697 -14.487 1.00 25.00 C ATOM 838 CD GLN A 54 0.942 -4.241 -13.813 1.00 25.00 C ATOM 839 OE1 GLN A 54 -0.071 -4.037 -14.462 1.00 25.00 O ATOM 840 NE2 GLN A 54 0.985 -4.078 -12.515 1.00 25.00 N ATOM 0 H GLN A 54 0.293 -7.124 -13.256 1.00 25.00 H new ATOM 0 HA GLN A 54 1.771 -7.042 -15.840 1.00 25.00 H new ATOM 0 HB2 GLN A 54 2.589 -6.245 -13.051 1.00 25.00 H new ATOM 0 HB3 GLN A 54 3.649 -6.293 -14.446 1.00 25.00 H new ATOM 0 HG2 GLN A 54 3.029 -4.024 -14.206 1.00 25.00 H new ATOM 0 HG3 GLN A 54 2.099 -4.617 -15.567 1.00 25.00 H new ATOM 0 HE21 GLN A 54 1.851 -4.259 -12.007 1.00 25.00 H new ATOM 0 HE22 GLN A 54 0.153 -3.770 -12.012 1.00 25.00 H new ATOM 849 N GLY A 55 3.257 -9.076 -15.086 1.00 25.00 N ATOM 850 CA GLY A 55 3.850 -10.359 -14.761 1.00 25.00 C ATOM 851 C GLY A 55 5.096 -10.543 -15.587 1.00 25.00 C ATOM 852 O GLY A 55 5.307 -9.799 -16.560 1.00 25.00 O ATOM 0 H GLY A 55 3.679 -8.601 -15.884 1.00 25.00 H new ATOM 0 HA2 GLY A 55 4.091 -10.405 -13.699 1.00 25.00 H new ATOM 0 HA3 GLY A 55 3.142 -11.163 -14.962 1.00 25.00 H new ATOM 856 N ILE A 56 5.933 -11.493 -15.209 1.00 25.00 N ATOM 857 CA ILE A 56 7.163 -11.738 -15.947 1.00 25.00 C ATOM 858 C ILE A 56 6.845 -12.541 -17.200 1.00 25.00 C ATOM 859 O ILE A 56 5.916 -13.358 -17.226 1.00 25.00 O ATOM 860 CB ILE A 56 8.251 -12.445 -15.077 1.00 25.00 C ATOM 861 CG1 ILE A 56 7.810 -13.870 -14.669 1.00 25.00 C ATOM 862 CG2 ILE A 56 8.553 -11.583 -13.837 1.00 25.00 C ATOM 863 CD1 ILE A 56 8.893 -14.699 -13.977 1.00 25.00 C ATOM 0 H ILE A 56 5.788 -12.103 -14.404 1.00 25.00 H new ATOM 0 HA ILE A 56 7.587 -10.775 -16.232 1.00 25.00 H new ATOM 0 HB ILE A 56 9.160 -12.550 -15.669 1.00 25.00 H new ATOM 0 HG12 ILE A 56 6.950 -13.793 -14.004 1.00 25.00 H new ATOM 0 HG13 ILE A 56 7.478 -14.402 -15.560 1.00 25.00 H new ATOM 0 HG21 ILE A 56 9.312 -12.074 -13.228 1.00 25.00 H new ATOM 0 HG22 ILE A 56 8.918 -10.606 -14.153 1.00 25.00 H new ATOM 0 HG23 ILE A 56 7.643 -11.458 -13.251 1.00 25.00 H new ATOM 0 HD11 ILE A 56 8.495 -15.682 -13.727 1.00 25.00 H new ATOM 0 HD12 ILE A 56 9.747 -14.812 -14.645 1.00 25.00 H new ATOM 0 HD13 ILE A 56 9.211 -14.194 -13.065 1.00 25.00 H new ATOM 875 N VAL A 57 7.584 -12.255 -18.260 1.00 25.00 N ATOM 876 CA VAL A 57 7.397 -12.902 -19.553 1.00 25.00 C ATOM 877 C VAL A 57 8.777 -13.160 -20.151 1.00 25.00 C ATOM 878 O VAL A 57 9.625 -12.262 -20.154 1.00 25.00 O ATOM 879 CB VAL A 57 6.602 -11.962 -20.516 1.00 25.00 C ATOM 880 CG1 VAL A 57 6.613 -12.491 -21.950 1.00 25.00 C ATOM 881 CG2 VAL A 57 5.156 -11.797 -20.037 1.00 25.00 C ATOM 0 H VAL A 57 8.335 -11.564 -18.250 1.00 25.00 H new ATOM 0 HA VAL A 57 6.841 -13.831 -19.425 1.00 25.00 H new ATOM 0 HB VAL A 57 7.097 -10.991 -20.505 1.00 25.00 H new ATOM 0 HG11 VAL A 57 6.051 -11.813 -22.592 1.00 25.00 H new ATOM 0 HG12 VAL A 57 7.641 -12.558 -22.305 1.00 25.00 H new ATOM 0 HG13 VAL A 57 6.154 -13.479 -21.977 1.00 25.00 H new ATOM 0 HG21 VAL A 57 4.619 -11.139 -20.720 1.00 25.00 H new ATOM 0 HG22 VAL A 57 4.668 -12.771 -20.012 1.00 25.00 H new ATOM 0 HG23 VAL A 57 5.151 -11.363 -19.037 1.00 25.00 H new ATOM 891 N PRO A 58 9.028 -14.370 -20.691 1.00 25.00 N ATOM 892 CA PRO A 58 10.316 -14.548 -21.373 1.00 25.00 C ATOM 893 C PRO A 58 10.361 -13.718 -22.668 1.00 25.00 C ATOM 894 O PRO A 58 9.691 -14.018 -23.658 1.00 25.00 O ATOM 895 CB PRO A 58 10.360 -16.055 -21.626 1.00 25.00 C ATOM 896 CG PRO A 58 8.923 -16.453 -21.734 1.00 25.00 C ATOM 897 CD PRO A 58 8.196 -15.590 -20.761 1.00 25.00 C ATOM 0 HA PRO A 58 11.179 -14.206 -20.802 1.00 25.00 H new ATOM 0 HB2 PRO A 58 10.907 -16.289 -22.539 1.00 25.00 H new ATOM 0 HB3 PRO A 58 10.858 -16.581 -20.812 1.00 25.00 H new ATOM 0 HG2 PRO A 58 8.549 -16.303 -22.747 1.00 25.00 H new ATOM 0 HG3 PRO A 58 8.790 -17.509 -21.498 1.00 25.00 H new ATOM 0 HD2 PRO A 58 7.185 -15.367 -21.100 1.00 25.00 H new ATOM 0 HD3 PRO A 58 8.107 -16.071 -19.787 1.00 25.00 H new ATOM 905 N GLY A 59 11.121 -12.637 -22.630 1.00 25.00 N ATOM 906 CA GLY A 59 11.123 -11.643 -23.689 1.00 25.00 C ATOM 907 C GLY A 59 11.605 -12.110 -25.038 1.00 25.00 C ATOM 908 O GLY A 59 11.190 -11.582 -26.059 1.00 25.00 O ATOM 0 H GLY A 59 11.756 -12.423 -21.861 1.00 25.00 H new ATOM 0 HA2 GLY A 59 10.109 -11.260 -23.801 1.00 25.00 H new ATOM 0 HA3 GLY A 59 11.747 -10.807 -23.373 1.00 25.00 H new ATOM 912 N ASN A 60 12.449 -13.129 -25.067 1.00 25.00 N ATOM 913 CA ASN A 60 12.932 -13.660 -26.345 1.00 25.00 C ATOM 914 C ASN A 60 11.813 -14.385 -27.109 1.00 25.00 C ATOM 915 O ASN A 60 11.978 -14.749 -28.266 1.00 25.00 O ATOM 916 CB ASN A 60 14.119 -14.602 -26.127 1.00 25.00 C ATOM 917 CG ASN A 60 14.906 -14.833 -27.400 1.00 25.00 C ATOM 918 OD1 ASN A 60 15.270 -13.900 -28.088 1.00 25.00 O ATOM 919 ND2 ASN A 60 15.188 -16.073 -27.701 1.00 25.00 N ATOM 0 H ASN A 60 12.812 -13.602 -24.240 1.00 25.00 H new ATOM 0 HA ASN A 60 13.262 -12.814 -26.948 1.00 25.00 H new ATOM 0 HB2 ASN A 60 14.777 -14.184 -25.365 1.00 25.00 H new ATOM 0 HB3 ASN A 60 13.758 -15.557 -25.747 1.00 25.00 H new ATOM 0 HD21 ASN A 60 15.731 -16.284 -28.538 1.00 25.00 H new ATOM 0 HD22 ASN A 60 14.865 -16.830 -27.099 1.00 25.00 H new ATOM 926 N ARG A 61 10.667 -14.581 -26.465 1.00 25.00 N ATOM 927 CA ARG A 61 9.505 -15.174 -27.133 1.00 25.00 C ATOM 928 C ARG A 61 8.594 -14.083 -27.686 1.00 25.00 C ATOM 929 O ARG A 61 7.490 -14.372 -28.155 1.00 25.00 O ATOM 930 CB ARG A 61 8.705 -16.054 -26.165 1.00 25.00 C ATOM 931 CG ARG A 61 9.507 -17.180 -25.522 1.00 25.00 C ATOM 932 CD ARG A 61 8.562 -18.274 -24.999 1.00 25.00 C ATOM 933 NE ARG A 61 9.138 -19.072 -23.898 1.00 25.00 N ATOM 934 CZ ARG A 61 9.982 -20.090 -24.027 1.00 25.00 C ATOM 935 NH1 ARG A 61 10.430 -20.493 -25.194 1.00 25.00 N ATOM 936 NH2 ARG A 61 10.383 -20.713 -22.957 1.00 25.00 N ATOM 0 H ARG A 61 10.514 -14.340 -25.486 1.00 25.00 H new ATOM 0 HA ARG A 61 9.874 -15.791 -27.952 1.00 25.00 H new ATOM 0 HB2 ARG A 61 8.293 -15.423 -25.377 1.00 25.00 H new ATOM 0 HB3 ARG A 61 7.861 -16.487 -26.701 1.00 25.00 H new ATOM 0 HG2 ARG A 61 10.199 -17.604 -26.249 1.00 25.00 H new ATOM 0 HG3 ARG A 61 10.108 -16.786 -24.702 1.00 25.00 H new ATOM 0 HD2 ARG A 61 7.637 -17.811 -24.656 1.00 25.00 H new ATOM 0 HD3 ARG A 61 8.299 -18.940 -25.821 1.00 25.00 H new ATOM 0 HE ARG A 61 8.862 -18.818 -22.950 1.00 25.00 H new ATOM 0 HH11 ARG A 61 10.131 -20.020 -26.046 1.00 25.00 H new ATOM 0 HH12 ARG A 61 11.077 -21.279 -25.248 1.00 25.00 H new ATOM 0 HH21 ARG A 61 10.049 -20.417 -22.040 1.00 25.00 H new ATOM 0 HH22 ARG A 61 11.031 -21.497 -23.036 1.00 25.00 H new ATOM 950 N LEU A 62 9.032 -12.837 -27.603 1.00 25.00 N ATOM 951 CA LEU A 62 8.243 -11.690 -28.056 1.00 25.00 C ATOM 952 C LEU A 62 8.991 -10.960 -29.166 1.00 25.00 C ATOM 953 O LEU A 62 10.213 -10.979 -29.208 1.00 25.00 O ATOM 954 CB LEU A 62 8.038 -10.695 -26.904 1.00 25.00 C ATOM 955 CG LEU A 62 7.419 -11.174 -25.578 1.00 25.00 C ATOM 956 CD1 LEU A 62 7.352 -9.975 -24.615 1.00 25.00 C ATOM 957 CD2 LEU A 62 6.031 -11.758 -25.782 1.00 25.00 C ATOM 0 H LEU A 62 9.944 -12.586 -27.221 1.00 25.00 H new ATOM 0 HA LEU A 62 7.281 -12.058 -28.412 1.00 25.00 H new ATOM 0 HB2 LEU A 62 9.011 -10.263 -26.671 1.00 25.00 H new ATOM 0 HB3 LEU A 62 7.412 -9.886 -27.281 1.00 25.00 H new ATOM 0 HG LEU A 62 8.042 -11.966 -25.163 1.00 25.00 H new ATOM 0 HD11 LEU A 62 6.916 -10.293 -23.668 1.00 25.00 H new ATOM 0 HD12 LEU A 62 8.357 -9.591 -24.441 1.00 25.00 H new ATOM 0 HD13 LEU A 62 6.735 -9.190 -25.053 1.00 25.00 H new ATOM 0 HD21 LEU A 62 5.629 -12.084 -24.823 1.00 25.00 H new ATOM 0 HD22 LEU A 62 5.376 -10.999 -26.211 1.00 25.00 H new ATOM 0 HD23 LEU A 62 6.091 -12.610 -26.459 1.00 25.00 H new ATOM 969 N LYS A 63 8.265 -10.248 -30.018 1.00 25.00 N ATOM 970 CA LYS A 63 8.895 -9.362 -31.002 1.00 25.00 C ATOM 971 C LYS A 63 8.392 -7.941 -30.823 1.00 25.00 C ATOM 972 O LYS A 63 7.194 -7.686 -30.930 1.00 25.00 O ATOM 973 CB LYS A 63 8.620 -9.821 -32.431 1.00 25.00 C ATOM 974 CG LYS A 63 9.426 -9.011 -33.439 1.00 25.00 C ATOM 975 CD LYS A 63 9.069 -9.330 -34.876 1.00 25.00 C ATOM 976 CE LYS A 63 9.957 -8.518 -35.829 1.00 25.00 C ATOM 977 NZ LYS A 63 9.814 -7.023 -35.621 1.00 25.00 N ATOM 0 H LYS A 63 7.246 -10.263 -30.052 1.00 25.00 H new ATOM 0 HA LYS A 63 9.971 -9.398 -30.833 1.00 25.00 H new ATOM 0 HB2 LYS A 63 8.868 -10.878 -32.530 1.00 25.00 H new ATOM 0 HB3 LYS A 63 7.557 -9.721 -32.649 1.00 25.00 H new ATOM 0 HG2 LYS A 63 9.262 -7.949 -33.257 1.00 25.00 H new ATOM 0 HG3 LYS A 63 10.488 -9.201 -33.284 1.00 25.00 H new ATOM 0 HD2 LYS A 63 9.199 -10.396 -35.064 1.00 25.00 H new ATOM 0 HD3 LYS A 63 8.019 -9.100 -35.059 1.00 25.00 H new ATOM 0 HE2 LYS A 63 10.999 -8.804 -35.683 1.00 25.00 H new ATOM 0 HE3 LYS A 63 9.700 -8.765 -36.859 1.00 25.00 H new ATOM 0 HZ1 LYS A 63 10.238 -6.518 -36.426 1.00 25.00 H new ATOM 0 HZ2 LYS A 63 8.806 -6.777 -35.550 1.00 25.00 H new ATOM 0 HZ3 LYS A 63 10.300 -6.746 -34.744 1.00 25.00 H new ATOM 991 N ILE A 64 9.318 -7.025 -30.576 1.00 25.00 N ATOM 992 CA ILE A 64 9.017 -5.598 -30.420 1.00 25.00 C ATOM 993 C ILE A 64 8.331 -5.067 -31.688 1.00 25.00 C ATOM 994 O ILE A 64 8.712 -5.416 -32.821 1.00 25.00 O ATOM 995 CB ILE A 64 10.340 -4.793 -30.141 1.00 25.00 C ATOM 996 CG1 ILE A 64 11.028 -5.291 -28.845 1.00 25.00 C ATOM 997 CG2 ILE A 64 10.073 -3.272 -30.045 1.00 25.00 C ATOM 998 CD1 ILE A 64 10.239 -5.057 -27.527 1.00 25.00 C ATOM 0 H ILE A 64 10.309 -7.247 -30.476 1.00 25.00 H new ATOM 0 HA ILE A 64 8.344 -5.468 -29.573 1.00 25.00 H new ATOM 0 HB ILE A 64 11.007 -4.969 -30.985 1.00 25.00 H new ATOM 0 HG12 ILE A 64 11.221 -6.359 -28.946 1.00 25.00 H new ATOM 0 HG13 ILE A 64 11.997 -4.799 -28.758 1.00 25.00 H new ATOM 0 HG21 ILE A 64 11.010 -2.750 -29.852 1.00 25.00 H new ATOM 0 HG22 ILE A 64 9.647 -2.917 -30.983 1.00 25.00 H new ATOM 0 HG23 ILE A 64 9.374 -3.076 -29.232 1.00 25.00 H new ATOM 0 HD11 ILE A 64 10.814 -5.444 -26.685 1.00 25.00 H new ATOM 0 HD12 ILE A 64 10.069 -3.989 -27.390 1.00 25.00 H new ATOM 0 HD13 ILE A 64 9.281 -5.573 -27.580 1.00 25.00 H new