USER MOD reduce.3.24.130724 H: found=0, std=0, add=461, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 460 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 21 ASN : amide:sc= -2.61 X(o=-7.3,f=-7.7) USER MOD Set 1.2: A 52 ASN : amide:sc= -4.65! C(o=-7.3!,f=-9.4!) USER MOD Set 2.1: A 18 ASN : amide:sc= -0.405 X(o=-0.41,f=0) USER MOD Set 2.2: A 19 MET CE :methyl -164:sc=-0.00105 (180deg=0) USER MOD Set 3.1: A 9 GLN : amide:sc= -4.92! C(o=-4.9!,f=-8.9!) USER MOD Set 3.2: A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET CE :methyl 152:sc= -0.114 (180deg=-0.682) USER MOD Single : A 1 MET N :NH3+ -114:sc= 0.0461 (180deg=-0.118) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 ASN : amide:sc= -1.16 X(o=-1.2,f=-1.5!) USER MOD Single : A 8 LYS NZ :NH3+ 158:sc= -0.468 (180deg=-1.38) USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 ASN : amide:sc= -0.435 X(o=-0.44,f=-0.083) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= -2.53 K(o=-2.5,f=-6.8!) USER MOD Single : A 26 GLN : amide:sc= -8.27! C(o=-8.3!,f=-9.8!) USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=-0.023) USER MOD Single : A 32 GLN : amide:sc= -0.689 K(o=-0.69,f=0) USER MOD Single : A 33 SER OG : rot 77:sc= 0.22 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 SER OG : rot 51:sc= -2.38! USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 50 LYS NZ :NH3+ 154:sc= -0.473 (180deg=-1.48!) USER MOD Single : A 55 GLN : amide:sc= -1.71 K(o=-1.7,f=-0.5) USER MOD Single : A 58 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0324) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.709 15.999 -13.985 1.00 0.00 N ATOM 2 CA MET A 1 -2.545 16.500 -12.593 1.00 0.00 C ATOM 3 C MET A 1 -2.886 15.426 -11.574 1.00 0.00 C ATOM 4 O MET A 1 -3.567 14.446 -11.887 1.00 0.00 O ATOM 5 CB MET A 1 -3.457 17.721 -12.408 1.00 0.00 C ATOM 6 CG MET A 1 -4.940 17.376 -12.381 1.00 0.00 C ATOM 7 SD MET A 1 -5.644 17.460 -10.723 1.00 0.00 S ATOM 8 CE MET A 1 -5.450 19.208 -10.366 1.00 0.00 C ATOM 0 H1 MET A 1 -1.781 15.964 -14.453 1.00 0.00 H new ATOM 0 H2 MET A 1 -3.122 15.045 -13.964 1.00 0.00 H new ATOM 0 H3 MET A 1 -3.339 16.637 -14.512 1.00 0.00 H new ATOM 0 HA MET A 1 -1.504 16.778 -12.432 1.00 0.00 H new ATOM 0 HB2 MET A 1 -3.193 18.224 -11.478 1.00 0.00 H new ATOM 0 HB3 MET A 1 -3.272 18.428 -13.216 1.00 0.00 H new ATOM 0 HG2 MET A 1 -5.480 18.060 -13.036 1.00 0.00 H new ATOM 0 HG3 MET A 1 -5.083 16.372 -12.781 1.00 0.00 H new ATOM 0 HE1 MET A 1 -6.225 19.525 -9.668 1.00 0.00 H new ATOM 0 HE2 MET A 1 -4.469 19.382 -9.923 1.00 0.00 H new ATOM 0 HE3 MET A 1 -5.538 19.780 -11.290 1.00 0.00 H new ATOM 20 N TYR A 2 -2.409 15.609 -10.348 1.00 0.00 N ATOM 21 CA TYR A 2 -2.664 14.649 -9.279 1.00 0.00 C ATOM 22 C TYR A 2 -3.752 15.156 -8.337 1.00 0.00 C ATOM 23 O TYR A 2 -3.824 16.345 -8.040 1.00 0.00 O ATOM 24 CB TYR A 2 -1.379 14.367 -8.487 1.00 0.00 C ATOM 25 CG TYR A 2 -0.591 15.617 -8.158 1.00 0.00 C ATOM 26 CD1 TYR A 2 -1.013 16.484 -7.157 1.00 0.00 C ATOM 27 CD2 TYR A 2 0.578 15.924 -8.842 1.00 0.00 C ATOM 28 CE1 TYR A 2 -0.293 17.627 -6.854 1.00 0.00 C ATOM 29 CE2 TYR A 2 1.303 17.063 -8.545 1.00 0.00 C ATOM 30 CZ TYR A 2 0.864 17.910 -7.548 1.00 0.00 C ATOM 31 OH TYR A 2 1.583 19.042 -7.244 1.00 0.00 O ATOM 0 H TYR A 2 -1.845 16.412 -10.069 1.00 0.00 H new ATOM 0 HA TYR A 2 -3.007 13.722 -9.739 1.00 0.00 H new ATOM 0 HB2 TYR A 2 -1.637 13.854 -7.560 1.00 0.00 H new ATOM 0 HB3 TYR A 2 -0.748 13.689 -9.062 1.00 0.00 H new ATOM 0 HD1 TYR A 2 -1.916 16.263 -6.607 1.00 0.00 H new ATOM 0 HD2 TYR A 2 0.927 15.261 -9.620 1.00 0.00 H new ATOM 0 HE1 TYR A 2 -0.636 18.294 -6.077 1.00 0.00 H new ATOM 0 HE2 TYR A 2 2.208 17.289 -9.090 1.00 0.00 H new ATOM 0 HH TYR A 2 2.372 19.094 -7.823 1.00 0.00 H new ATOM 41 N TYR A 3 -4.599 14.245 -7.873 1.00 0.00 N ATOM 42 CA TYR A 3 -5.685 14.596 -6.964 1.00 0.00 C ATOM 43 C TYR A 3 -5.894 13.514 -5.909 1.00 0.00 C ATOM 44 O TYR A 3 -5.946 13.803 -4.715 1.00 0.00 O ATOM 45 CB TYR A 3 -6.978 14.815 -7.752 1.00 0.00 C ATOM 46 CG TYR A 3 -7.785 16.008 -7.281 1.00 0.00 C ATOM 47 CD1 TYR A 3 -7.369 17.303 -7.544 1.00 0.00 C ATOM 48 CD2 TYR A 3 -8.964 15.828 -6.566 1.00 0.00 C ATOM 49 CE1 TYR A 3 -8.104 18.393 -7.114 1.00 0.00 C ATOM 50 CE2 TYR A 3 -9.705 16.910 -6.130 1.00 0.00 C ATOM 51 CZ TYR A 3 -9.269 18.186 -6.404 1.00 0.00 C ATOM 52 OH TYR A 3 -10.004 19.266 -5.971 1.00 0.00 O ATOM 0 H TYR A 3 -4.555 13.254 -8.112 1.00 0.00 H new ATOM 0 HA TYR A 3 -5.413 15.519 -6.453 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -6.733 14.947 -8.806 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -7.594 13.919 -7.678 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -6.454 17.464 -8.095 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -9.306 14.827 -6.348 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -7.769 19.396 -7.332 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -10.620 16.755 -5.578 1.00 0.00 H new ATOM 0 HH TYR A 3 -10.796 18.950 -5.488 1.00 0.00 H new ATOM 62 N LEU A 4 -6.017 12.276 -6.366 1.00 0.00 N ATOM 63 CA LEU A 4 -6.223 11.150 -5.462 1.00 0.00 C ATOM 64 C LEU A 4 -4.890 10.532 -5.029 1.00 0.00 C ATOM 65 O LEU A 4 -4.805 9.883 -3.992 1.00 0.00 O ATOM 66 CB LEU A 4 -7.097 10.082 -6.127 1.00 0.00 C ATOM 67 CG LEU A 4 -8.521 10.537 -6.462 1.00 0.00 C ATOM 68 CD1 LEU A 4 -9.001 9.890 -7.749 1.00 0.00 C ATOM 69 CD2 LEU A 4 -9.464 10.207 -5.315 1.00 0.00 C ATOM 0 H LEU A 4 -5.978 12.025 -7.354 1.00 0.00 H new ATOM 0 HA LEU A 4 -6.730 11.528 -4.575 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -6.610 9.753 -7.045 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -7.153 9.216 -5.468 1.00 0.00 H new ATOM 0 HG LEU A 4 -8.513 11.617 -6.606 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -10.014 10.226 -7.969 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -8.339 10.173 -8.567 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -8.995 8.806 -7.636 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -10.472 10.536 -5.567 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -9.466 9.131 -5.144 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -9.131 10.718 -4.412 1.00 0.00 H new ATOM 81 N VAL A 5 -3.854 10.746 -5.838 1.00 0.00 N ATOM 82 CA VAL A 5 -2.527 10.220 -5.547 1.00 0.00 C ATOM 83 C VAL A 5 -1.455 11.032 -6.277 1.00 0.00 C ATOM 84 O VAL A 5 -1.733 11.656 -7.301 1.00 0.00 O ATOM 85 CB VAL A 5 -2.418 8.741 -5.951 1.00 0.00 C ATOM 86 CG1 VAL A 5 -3.245 7.868 -5.012 1.00 0.00 C ATOM 87 CG2 VAL A 5 -2.849 8.543 -7.393 1.00 0.00 C ATOM 0 H VAL A 5 -3.912 11.283 -6.703 1.00 0.00 H new ATOM 0 HA VAL A 5 -2.367 10.301 -4.472 1.00 0.00 H new ATOM 0 HB VAL A 5 -1.374 8.439 -5.868 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -3.156 6.824 -5.313 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -2.880 7.984 -3.992 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -4.291 8.172 -5.060 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -2.764 7.489 -7.657 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -3.884 8.864 -7.511 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -2.209 9.134 -8.048 1.00 0.00 H new ATOM 97 N VAL A 6 -0.234 11.031 -5.737 1.00 0.00 N ATOM 98 CA VAL A 6 0.852 11.795 -6.353 1.00 0.00 C ATOM 99 C VAL A 6 2.129 10.968 -6.522 1.00 0.00 C ATOM 100 O VAL A 6 2.681 10.893 -7.618 1.00 0.00 O ATOM 101 CB VAL A 6 1.174 13.070 -5.544 1.00 0.00 C ATOM 102 CG1 VAL A 6 1.567 12.722 -4.116 1.00 0.00 C ATOM 103 CG2 VAL A 6 2.269 13.876 -6.223 1.00 0.00 C ATOM 0 H VAL A 6 0.024 10.521 -4.892 1.00 0.00 H new ATOM 0 HA VAL A 6 0.495 12.076 -7.344 1.00 0.00 H new ATOM 0 HB VAL A 6 0.273 13.683 -5.506 1.00 0.00 H new ATOM 0 HG11 VAL A 6 1.789 13.637 -3.567 1.00 0.00 H new ATOM 0 HG12 VAL A 6 0.745 12.197 -3.630 1.00 0.00 H new ATOM 0 HG13 VAL A 6 2.449 12.082 -4.127 1.00 0.00 H new ATOM 0 HG21 VAL A 6 2.480 14.770 -5.636 1.00 0.00 H new ATOM 0 HG22 VAL A 6 3.172 13.271 -6.299 1.00 0.00 H new ATOM 0 HG23 VAL A 6 1.941 14.166 -7.221 1.00 0.00 H new ATOM 113 N ASN A 7 2.614 10.350 -5.439 1.00 0.00 N ATOM 114 CA ASN A 7 3.837 9.561 -5.519 1.00 0.00 C ATOM 115 C ASN A 7 3.910 8.510 -4.415 1.00 0.00 C ATOM 116 O ASN A 7 4.019 7.316 -4.698 1.00 0.00 O ATOM 117 CB ASN A 7 5.061 10.475 -5.446 1.00 0.00 C ATOM 118 CG ASN A 7 5.710 10.680 -6.802 1.00 0.00 C ATOM 119 OD1 ASN A 7 5.107 10.402 -7.839 1.00 0.00 O ATOM 120 ND2 ASN A 7 6.947 11.161 -6.799 1.00 0.00 N ATOM 0 H ASN A 7 2.184 10.382 -4.515 1.00 0.00 H new ATOM 0 HA ASN A 7 3.826 9.039 -6.476 1.00 0.00 H new ATOM 0 HB2 ASN A 7 4.766 11.441 -5.037 1.00 0.00 H new ATOM 0 HB3 ASN A 7 5.790 10.047 -4.758 1.00 0.00 H new ATOM 0 HD21 ASN A 7 7.437 11.314 -7.681 1.00 0.00 H new ATOM 0 HD22 ASN A 7 7.408 11.377 -5.915 1.00 0.00 H new ATOM 127 N LYS A 8 3.860 8.955 -3.158 1.00 0.00 N ATOM 128 CA LYS A 8 3.933 8.042 -2.012 1.00 0.00 C ATOM 129 C LYS A 8 3.107 6.783 -2.255 1.00 0.00 C ATOM 130 O LYS A 8 3.441 5.703 -1.767 1.00 0.00 O ATOM 131 CB LYS A 8 3.441 8.736 -0.738 1.00 0.00 C ATOM 132 CG LYS A 8 3.323 7.805 0.462 1.00 0.00 C ATOM 133 CD LYS A 8 3.528 8.551 1.771 1.00 0.00 C ATOM 134 CE LYS A 8 4.998 8.846 2.018 1.00 0.00 C ATOM 135 NZ LYS A 8 5.658 7.763 2.796 1.00 0.00 N ATOM 0 H LYS A 8 3.769 9.939 -2.906 1.00 0.00 H new ATOM 0 HA LYS A 8 4.977 7.756 -1.887 1.00 0.00 H new ATOM 0 HB2 LYS A 8 4.125 9.548 -0.490 1.00 0.00 H new ATOM 0 HB3 LYS A 8 2.468 9.187 -0.933 1.00 0.00 H new ATOM 0 HG2 LYS A 8 2.341 7.333 0.462 1.00 0.00 H new ATOM 0 HG3 LYS A 8 4.061 7.007 0.378 1.00 0.00 H new ATOM 0 HD2 LYS A 8 2.967 9.485 1.751 1.00 0.00 H new ATOM 0 HD3 LYS A 8 3.131 7.958 2.595 1.00 0.00 H new ATOM 0 HE2 LYS A 8 5.509 8.970 1.063 1.00 0.00 H new ATOM 0 HE3 LYS A 8 5.094 9.789 2.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 6.685 7.795 2.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 5.464 7.896 3.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 5.287 6.841 2.490 1.00 0.00 H new ATOM 149 N GLN A 9 2.028 6.935 -3.008 1.00 0.00 N ATOM 150 CA GLN A 9 1.149 5.820 -3.312 1.00 0.00 C ATOM 151 C GLN A 9 1.883 4.729 -4.095 1.00 0.00 C ATOM 152 O GLN A 9 1.784 3.549 -3.767 1.00 0.00 O ATOM 153 CB GLN A 9 -0.068 6.322 -4.094 1.00 0.00 C ATOM 154 CG GLN A 9 -0.811 5.239 -4.852 1.00 0.00 C ATOM 155 CD GLN A 9 -0.586 5.314 -6.351 1.00 0.00 C ATOM 156 OE1 GLN A 9 0.545 5.218 -6.824 1.00 0.00 O ATOM 157 NE2 GLN A 9 -1.665 5.488 -7.104 1.00 0.00 N ATOM 0 H GLN A 9 1.741 7.823 -3.420 1.00 0.00 H new ATOM 0 HA GLN A 9 0.814 5.378 -2.374 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -0.758 6.803 -3.401 1.00 0.00 H new ATOM 0 HB3 GLN A 9 0.258 7.086 -4.800 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -0.491 4.262 -4.489 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -1.878 5.322 -4.644 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -2.584 5.563 -6.668 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -1.575 5.547 -8.118 1.00 0.00 H new ATOM 166 N GLN A 10 2.617 5.128 -5.130 1.00 0.00 N ATOM 167 CA GLN A 10 3.353 4.172 -5.952 1.00 0.00 C ATOM 168 C GLN A 10 4.338 3.363 -5.110 1.00 0.00 C ATOM 169 O GLN A 10 4.381 2.133 -5.195 1.00 0.00 O ATOM 170 CB GLN A 10 4.102 4.900 -7.071 1.00 0.00 C ATOM 171 CG GLN A 10 4.421 4.015 -8.264 1.00 0.00 C ATOM 172 CD GLN A 10 5.013 4.789 -9.424 1.00 0.00 C ATOM 173 OE1 GLN A 10 4.325 5.579 -10.074 1.00 0.00 O ATOM 174 NE2 GLN A 10 6.294 4.568 -9.694 1.00 0.00 N ATOM 0 H GLN A 10 2.718 6.101 -5.418 1.00 0.00 H new ATOM 0 HA GLN A 10 2.631 3.483 -6.391 1.00 0.00 H new ATOM 0 HB2 GLN A 10 3.503 5.747 -7.407 1.00 0.00 H new ATOM 0 HB3 GLN A 10 5.031 5.306 -6.671 1.00 0.00 H new ATOM 0 HG2 GLN A 10 5.120 3.237 -7.957 1.00 0.00 H new ATOM 0 HG3 GLN A 10 3.511 3.514 -8.593 1.00 0.00 H new ATOM 0 HE21 GLN A 10 6.827 3.906 -9.131 1.00 0.00 H new ATOM 0 HE22 GLN A 10 6.745 5.061 -10.465 1.00 0.00 H new ATOM 183 N ASN A 11 5.124 4.060 -4.301 1.00 0.00 N ATOM 184 CA ASN A 11 6.108 3.408 -3.444 1.00 0.00 C ATOM 185 C ASN A 11 5.428 2.453 -2.467 1.00 0.00 C ATOM 186 O ASN A 11 6.014 1.451 -2.056 1.00 0.00 O ATOM 187 CB ASN A 11 6.921 4.460 -2.675 1.00 0.00 C ATOM 188 CG ASN A 11 8.392 4.434 -3.042 1.00 0.00 C ATOM 189 OD1 ASN A 11 9.014 5.479 -3.235 1.00 0.00 O ATOM 190 ND2 ASN A 11 8.957 3.237 -3.141 1.00 0.00 N ATOM 0 H ASN A 11 5.100 5.076 -4.219 1.00 0.00 H new ATOM 0 HA ASN A 11 6.783 2.830 -4.076 1.00 0.00 H new ATOM 0 HB2 ASN A 11 6.515 5.451 -2.881 1.00 0.00 H new ATOM 0 HB3 ASN A 11 6.813 4.287 -1.604 1.00 0.00 H new ATOM 0 HD21 ASN A 11 9.944 3.158 -3.385 1.00 0.00 H new ATOM 0 HD22 ASN A 11 8.404 2.397 -2.973 1.00 0.00 H new ATOM 197 N ALA A 12 4.193 2.771 -2.096 1.00 0.00 N ATOM 198 CA ALA A 12 3.442 1.939 -1.165 1.00 0.00 C ATOM 199 C ALA A 12 2.921 0.672 -1.842 1.00 0.00 C ATOM 200 O ALA A 12 2.744 -0.353 -1.192 1.00 0.00 O ATOM 201 CB ALA A 12 2.301 2.734 -0.542 1.00 0.00 C ATOM 0 H ALA A 12 3.692 3.597 -2.425 1.00 0.00 H new ATOM 0 HA ALA A 12 4.120 1.628 -0.370 1.00 0.00 H new ATOM 0 HB1 ALA A 12 1.750 2.098 0.151 1.00 0.00 H new ATOM 0 HB2 ALA A 12 2.706 3.591 -0.004 1.00 0.00 H new ATOM 0 HB3 ALA A 12 1.630 3.083 -1.327 1.00 0.00 H new ATOM 207 N PHE A 13 2.688 0.741 -3.154 1.00 0.00 N ATOM 208 CA PHE A 13 2.200 -0.418 -3.909 1.00 0.00 C ATOM 209 C PHE A 13 3.141 -1.604 -3.729 1.00 0.00 C ATOM 210 O PHE A 13 2.718 -2.693 -3.342 1.00 0.00 O ATOM 211 CB PHE A 13 2.077 -0.071 -5.394 1.00 0.00 C ATOM 212 CG PHE A 13 1.573 -1.208 -6.237 1.00 0.00 C ATOM 213 CD1 PHE A 13 0.264 -1.645 -6.123 1.00 0.00 C ATOM 214 CD2 PHE A 13 2.411 -1.838 -7.143 1.00 0.00 C ATOM 215 CE1 PHE A 13 -0.201 -2.690 -6.897 1.00 0.00 C ATOM 216 CE2 PHE A 13 1.952 -2.885 -7.920 1.00 0.00 C ATOM 217 CZ PHE A 13 0.644 -3.313 -7.797 1.00 0.00 C ATOM 0 H PHE A 13 2.828 1.582 -3.715 1.00 0.00 H new ATOM 0 HA PHE A 13 1.216 -0.689 -3.527 1.00 0.00 H new ATOM 0 HB2 PHE A 13 1.404 0.779 -5.505 1.00 0.00 H new ATOM 0 HB3 PHE A 13 3.052 0.243 -5.767 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -0.401 -1.163 -5.421 1.00 0.00 H new ATOM 0 HD2 PHE A 13 3.434 -1.507 -7.243 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -1.225 -3.021 -6.799 1.00 0.00 H new ATOM 0 HE2 PHE A 13 2.615 -3.368 -8.622 1.00 0.00 H new ATOM 0 HZ PHE A 13 0.283 -4.132 -8.402 1.00 0.00 H new ATOM 227 N TYR A 14 4.424 -1.382 -4.002 1.00 0.00 N ATOM 228 CA TYR A 14 5.424 -2.434 -3.857 1.00 0.00 C ATOM 229 C TYR A 14 5.482 -2.910 -2.413 1.00 0.00 C ATOM 230 O TYR A 14 5.731 -4.083 -2.150 1.00 0.00 O ATOM 231 CB TYR A 14 6.798 -1.936 -4.304 1.00 0.00 C ATOM 232 CG TYR A 14 6.774 -1.207 -5.629 1.00 0.00 C ATOM 233 CD1 TYR A 14 6.369 -1.852 -6.791 1.00 0.00 C ATOM 234 CD2 TYR A 14 7.157 0.126 -5.719 1.00 0.00 C ATOM 235 CE1 TYR A 14 6.346 -1.190 -8.005 1.00 0.00 C ATOM 236 CE2 TYR A 14 7.136 0.795 -6.928 1.00 0.00 C ATOM 237 CZ TYR A 14 6.730 0.132 -8.067 1.00 0.00 C ATOM 238 OH TYR A 14 6.705 0.795 -9.273 1.00 0.00 O ATOM 0 H TYR A 14 4.794 -0.487 -4.323 1.00 0.00 H new ATOM 0 HA TYR A 14 5.137 -3.272 -4.493 1.00 0.00 H new ATOM 0 HB2 TYR A 14 7.201 -1.271 -3.540 1.00 0.00 H new ATOM 0 HB3 TYR A 14 7.477 -2.785 -4.378 1.00 0.00 H new ATOM 0 HD1 TYR A 14 6.067 -2.888 -6.745 1.00 0.00 H new ATOM 0 HD2 TYR A 14 7.476 0.648 -4.829 1.00 0.00 H new ATOM 0 HE1 TYR A 14 6.029 -1.706 -8.899 1.00 0.00 H new ATOM 0 HE2 TYR A 14 7.436 1.831 -6.981 1.00 0.00 H new ATOM 0 HH TYR A 14 7.004 1.719 -9.144 1.00 0.00 H new ATOM 248 N GLU A 15 5.230 -1.997 -1.478 1.00 0.00 N ATOM 249 CA GLU A 15 5.230 -2.342 -0.062 1.00 0.00 C ATOM 250 C GLU A 15 3.997 -3.172 0.253 1.00 0.00 C ATOM 251 O GLU A 15 4.104 -4.266 0.799 1.00 0.00 O ATOM 252 CB GLU A 15 5.262 -1.083 0.800 1.00 0.00 C ATOM 253 CG GLU A 15 6.558 -0.298 0.683 1.00 0.00 C ATOM 254 CD GLU A 15 7.685 -0.907 1.492 1.00 0.00 C ATOM 255 OE1 GLU A 15 8.071 -2.058 1.200 1.00 0.00 O ATOM 256 OE2 GLU A 15 8.183 -0.234 2.420 1.00 0.00 O ATOM 0 H GLU A 15 5.024 -1.018 -1.676 1.00 0.00 H new ATOM 0 HA GLU A 15 6.123 -2.924 0.163 1.00 0.00 H new ATOM 0 HB2 GLU A 15 4.430 -0.438 0.518 1.00 0.00 H new ATOM 0 HB3 GLU A 15 5.109 -1.363 1.842 1.00 0.00 H new ATOM 0 HG2 GLU A 15 6.854 -0.248 -0.365 1.00 0.00 H new ATOM 0 HG3 GLU A 15 6.389 0.726 1.016 1.00 0.00 H new ATOM 263 N VAL A 16 2.826 -2.668 -0.143 1.00 0.00 N ATOM 264 CA VAL A 16 1.575 -3.396 0.049 1.00 0.00 C ATOM 265 C VAL A 16 1.804 -4.857 -0.280 1.00 0.00 C ATOM 266 O VAL A 16 1.321 -5.767 0.394 1.00 0.00 O ATOM 267 CB VAL A 16 0.488 -2.864 -0.894 1.00 0.00 C ATOM 268 CG1 VAL A 16 -0.783 -3.674 -0.760 1.00 0.00 C ATOM 269 CG2 VAL A 16 0.228 -1.388 -0.641 1.00 0.00 C ATOM 0 H VAL A 16 2.721 -1.761 -0.597 1.00 0.00 H new ATOM 0 HA VAL A 16 1.254 -3.268 1.083 1.00 0.00 H new ATOM 0 HB VAL A 16 0.844 -2.969 -1.919 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -1.540 -3.279 -1.438 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -0.579 -4.715 -1.011 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -1.147 -3.613 0.266 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -0.546 -1.033 -1.321 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -0.101 -1.248 0.389 1.00 0.00 H new ATOM 0 HG23 VAL A 16 1.145 -0.823 -0.809 1.00 0.00 H new ATOM 279 N LEU A 17 2.572 -5.039 -1.339 1.00 0.00 N ATOM 280 CA LEU A 17 2.939 -6.342 -1.838 1.00 0.00 C ATOM 281 C LEU A 17 4.132 -6.897 -1.048 1.00 0.00 C ATOM 282 O LEU A 17 4.192 -8.082 -0.722 1.00 0.00 O ATOM 283 CB LEU A 17 3.299 -6.202 -3.306 1.00 0.00 C ATOM 284 CG LEU A 17 2.147 -5.787 -4.216 1.00 0.00 C ATOM 285 CD1 LEU A 17 2.589 -5.837 -5.663 1.00 0.00 C ATOM 286 CD2 LEU A 17 0.939 -6.684 -4.000 1.00 0.00 C ATOM 0 H LEU A 17 2.962 -4.269 -1.882 1.00 0.00 H new ATOM 0 HA LEU A 17 2.107 -7.036 -1.721 1.00 0.00 H new ATOM 0 HB2 LEU A 17 4.099 -5.468 -3.400 1.00 0.00 H new ATOM 0 HB3 LEU A 17 3.697 -7.153 -3.659 1.00 0.00 H new ATOM 0 HG LEU A 17 1.859 -4.765 -3.968 1.00 0.00 H new ATOM 0 HD11 LEU A 17 1.761 -5.539 -6.307 1.00 0.00 H new ATOM 0 HD12 LEU A 17 3.427 -5.156 -5.811 1.00 0.00 H new ATOM 0 HD13 LEU A 17 2.897 -6.852 -5.914 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.130 -6.370 -4.659 1.00 0.00 H new ATOM 0 HD22 LEU A 17 1.208 -7.717 -4.223 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.612 -6.610 -2.963 1.00 0.00 H new ATOM 298 N ASN A 18 5.072 -5.999 -0.752 1.00 0.00 N ATOM 299 CA ASN A 18 6.294 -6.303 -0.003 1.00 0.00 C ATOM 300 C ASN A 18 6.879 -7.676 -0.335 1.00 0.00 C ATOM 301 O ASN A 18 7.746 -7.796 -1.201 1.00 0.00 O ATOM 302 CB ASN A 18 6.053 -6.182 1.508 1.00 0.00 C ATOM 303 CG ASN A 18 7.348 -6.198 2.298 1.00 0.00 C ATOM 304 OD1 ASN A 18 8.090 -5.214 2.317 1.00 0.00 O ATOM 305 ND2 ASN A 18 7.629 -7.317 2.956 1.00 0.00 N ATOM 0 H ASN A 18 5.005 -5.020 -1.031 1.00 0.00 H new ATOM 0 HA ASN A 18 7.031 -5.562 -0.313 1.00 0.00 H new ATOM 0 HB2 ASN A 18 5.514 -5.257 1.715 1.00 0.00 H new ATOM 0 HB3 ASN A 18 5.417 -7.003 1.840 1.00 0.00 H new ATOM 0 HD21 ASN A 18 8.487 -7.385 3.504 1.00 0.00 H new ATOM 0 HD22 ASN A 18 6.987 -8.109 2.914 1.00 0.00 H new ATOM 312 N MET A 19 6.431 -8.700 0.379 1.00 0.00 N ATOM 313 CA MET A 19 6.944 -10.054 0.182 1.00 0.00 C ATOM 314 C MET A 19 5.847 -11.032 -0.239 1.00 0.00 C ATOM 315 O MET A 19 4.661 -10.702 -0.208 1.00 0.00 O ATOM 316 CB MET A 19 7.611 -10.540 1.471 1.00 0.00 C ATOM 317 CG MET A 19 9.130 -10.487 1.427 1.00 0.00 C ATOM 318 SD MET A 19 9.890 -11.110 2.939 1.00 0.00 S ATOM 319 CE MET A 19 10.627 -9.613 3.592 1.00 0.00 C ATOM 0 H MET A 19 5.714 -8.621 1.100 1.00 0.00 H new ATOM 0 HA MET A 19 7.674 -10.019 -0.627 1.00 0.00 H new ATOM 0 HB2 MET A 19 7.258 -9.932 2.304 1.00 0.00 H new ATOM 0 HB3 MET A 19 7.297 -11.565 1.669 1.00 0.00 H new ATOM 0 HG2 MET A 19 9.486 -11.071 0.579 1.00 0.00 H new ATOM 0 HG3 MET A 19 9.449 -9.458 1.262 1.00 0.00 H new ATOM 0 HE1 MET A 19 11.360 -9.872 4.356 1.00 0.00 H new ATOM 0 HE2 MET A 19 11.119 -9.068 2.786 1.00 0.00 H new ATOM 0 HE3 MET A 19 9.851 -8.987 4.032 1.00 0.00 H new ATOM 329 N PRO A 20 6.238 -12.260 -0.642 1.00 0.00 N ATOM 330 CA PRO A 20 5.289 -13.294 -1.074 1.00 0.00 C ATOM 331 C PRO A 20 4.402 -13.787 0.065 1.00 0.00 C ATOM 332 O PRO A 20 3.293 -14.265 -0.173 1.00 0.00 O ATOM 333 CB PRO A 20 6.188 -14.424 -1.574 1.00 0.00 C ATOM 334 CG PRO A 20 7.485 -14.218 -0.875 1.00 0.00 C ATOM 335 CD PRO A 20 7.634 -12.733 -0.710 1.00 0.00 C ATOM 0 HA PRO A 20 4.599 -12.915 -1.828 1.00 0.00 H new ATOM 0 HB2 PRO A 20 5.763 -15.400 -1.339 1.00 0.00 H new ATOM 0 HB3 PRO A 20 6.311 -14.382 -2.656 1.00 0.00 H new ATOM 0 HG2 PRO A 20 7.491 -14.721 0.092 1.00 0.00 H new ATOM 0 HG3 PRO A 20 8.311 -14.631 -1.454 1.00 0.00 H new ATOM 0 HD2 PRO A 20 8.189 -12.482 0.194 1.00 0.00 H new ATOM 0 HD3 PRO A 20 8.170 -12.287 -1.547 1.00 0.00 H new ATOM 343 N ASN A 21 4.890 -13.665 1.303 1.00 0.00 N ATOM 344 CA ASN A 21 4.125 -14.095 2.474 1.00 0.00 C ATOM 345 C ASN A 21 2.671 -13.658 2.343 1.00 0.00 C ATOM 346 O ASN A 21 1.752 -14.359 2.767 1.00 0.00 O ATOM 347 CB ASN A 21 4.734 -13.515 3.752 1.00 0.00 C ATOM 348 CG ASN A 21 5.953 -14.287 4.213 1.00 0.00 C ATOM 349 OD1 ASN A 21 7.084 -13.818 4.084 1.00 0.00 O ATOM 350 ND2 ASN A 21 5.730 -15.479 4.755 1.00 0.00 N ATOM 0 H ASN A 21 5.807 -13.274 1.518 1.00 0.00 H new ATOM 0 HA ASN A 21 4.163 -15.183 2.532 1.00 0.00 H new ATOM 0 HB2 ASN A 21 5.010 -12.475 3.580 1.00 0.00 H new ATOM 0 HB3 ASN A 21 3.984 -13.519 4.543 1.00 0.00 H new ATOM 0 HD21 ASN A 21 6.513 -16.044 5.084 1.00 0.00 H new ATOM 0 HD22 ASN A 21 4.776 -15.829 4.842 1.00 0.00 H new ATOM 357 N LEU A 22 2.481 -12.500 1.723 1.00 0.00 N ATOM 358 CA LEU A 22 1.157 -11.956 1.490 1.00 0.00 C ATOM 359 C LEU A 22 0.890 -11.900 -0.013 1.00 0.00 C ATOM 360 O LEU A 22 1.402 -12.728 -0.763 1.00 0.00 O ATOM 361 CB LEU A 22 1.044 -10.569 2.106 1.00 0.00 C ATOM 362 CG LEU A 22 -0.196 -10.350 2.973 1.00 0.00 C ATOM 363 CD1 LEU A 22 -0.279 -8.898 3.383 1.00 0.00 C ATOM 364 CD2 LEU A 22 -1.463 -10.772 2.239 1.00 0.00 C ATOM 0 H LEU A 22 3.240 -11.917 1.370 1.00 0.00 H new ATOM 0 HA LEU A 22 0.412 -12.599 1.959 1.00 0.00 H new ATOM 0 HB2 LEU A 22 1.931 -10.383 2.712 1.00 0.00 H new ATOM 0 HB3 LEU A 22 1.045 -9.830 1.305 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.110 -10.970 3.865 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.164 -8.744 4.001 1.00 0.00 H new ATOM 0 HD12 LEU A 22 0.612 -8.629 3.951 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -0.345 -8.272 2.493 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -2.328 -10.605 2.881 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.568 -10.184 1.327 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -1.400 -11.830 1.983 1.00 0.00 H new ATOM 376 N ASN A 23 0.103 -10.913 -0.442 1.00 0.00 N ATOM 377 CA ASN A 23 -0.225 -10.721 -1.858 1.00 0.00 C ATOM 378 C ASN A 23 -1.515 -11.441 -2.230 1.00 0.00 C ATOM 379 O ASN A 23 -1.591 -12.126 -3.251 1.00 0.00 O ATOM 380 CB ASN A 23 0.916 -11.175 -2.779 1.00 0.00 C ATOM 381 CG ASN A 23 0.726 -10.700 -4.206 1.00 0.00 C ATOM 382 OD1 ASN A 23 -0.398 -10.485 -4.659 1.00 0.00 O ATOM 383 ND2 ASN A 23 1.830 -10.534 -4.926 1.00 0.00 N ATOM 0 H ASN A 23 -0.325 -10.225 0.178 1.00 0.00 H new ATOM 0 HA ASN A 23 -0.368 -9.650 -2.003 1.00 0.00 H new ATOM 0 HB2 ASN A 23 1.863 -10.796 -2.395 1.00 0.00 H new ATOM 0 HB3 ASN A 23 0.980 -12.263 -2.766 1.00 0.00 H new ATOM 0 HD21 ASN A 23 1.765 -10.217 -5.893 1.00 0.00 H new ATOM 0 HD22 ASN A 23 2.742 -10.724 -4.512 1.00 0.00 H new ATOM 390 N GLU A 24 -2.528 -11.262 -1.398 1.00 0.00 N ATOM 391 CA GLU A 24 -3.830 -11.869 -1.634 1.00 0.00 C ATOM 392 C GLU A 24 -4.977 -10.890 -1.350 1.00 0.00 C ATOM 393 O GLU A 24 -5.455 -10.204 -2.254 1.00 0.00 O ATOM 394 CB GLU A 24 -3.978 -13.141 -0.788 1.00 0.00 C ATOM 395 CG GLU A 24 -5.411 -13.634 -0.651 1.00 0.00 C ATOM 396 CD GLU A 24 -5.493 -15.136 -0.468 1.00 0.00 C ATOM 397 OE1 GLU A 24 -4.614 -15.704 0.209 1.00 0.00 O ATOM 398 OE2 GLU A 24 -6.439 -15.745 -1.004 1.00 0.00 O ATOM 0 H GLU A 24 -2.474 -10.699 -0.549 1.00 0.00 H new ATOM 0 HA GLU A 24 -3.889 -12.135 -2.689 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -3.374 -13.932 -1.232 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -3.574 -12.952 0.206 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -5.881 -13.141 0.200 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -5.977 -13.348 -1.538 1.00 0.00 H new ATOM 405 N ASP A 25 -5.427 -10.850 -0.104 1.00 0.00 N ATOM 406 CA ASP A 25 -6.532 -9.984 0.298 1.00 0.00 C ATOM 407 C ASP A 25 -6.068 -8.611 0.777 1.00 0.00 C ATOM 408 O ASP A 25 -6.571 -7.576 0.339 1.00 0.00 O ATOM 409 CB ASP A 25 -7.309 -10.669 1.417 1.00 0.00 C ATOM 410 CG ASP A 25 -8.528 -11.402 0.912 1.00 0.00 C ATOM 411 OD1 ASP A 25 -9.262 -10.827 0.082 1.00 0.00 O ATOM 412 OD2 ASP A 25 -8.749 -12.551 1.344 1.00 0.00 O ATOM 0 H ASP A 25 -5.041 -11.412 0.654 1.00 0.00 H new ATOM 0 HA ASP A 25 -7.158 -9.822 -0.579 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -6.654 -11.372 1.932 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -7.616 -9.923 2.151 1.00 0.00 H new ATOM 417 N GLN A 26 -5.139 -8.630 1.718 1.00 0.00 N ATOM 418 CA GLN A 26 -4.604 -7.420 2.342 1.00 0.00 C ATOM 419 C GLN A 26 -4.386 -6.277 1.372 1.00 0.00 C ATOM 420 O GLN A 26 -4.630 -5.115 1.700 1.00 0.00 O ATOM 421 CB GLN A 26 -3.289 -7.742 3.034 1.00 0.00 C ATOM 422 CG GLN A 26 -3.436 -8.003 4.521 1.00 0.00 C ATOM 423 CD GLN A 26 -3.942 -6.790 5.277 1.00 0.00 C ATOM 424 OE1 GLN A 26 -3.819 -5.659 4.809 1.00 0.00 O ATOM 425 NE2 GLN A 26 -4.516 -7.022 6.451 1.00 0.00 N ATOM 0 H GLN A 26 -4.728 -9.491 2.077 1.00 0.00 H new ATOM 0 HA GLN A 26 -5.356 -7.087 3.057 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -2.844 -8.618 2.562 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -2.597 -6.913 2.885 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -4.123 -8.835 4.674 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -2.472 -8.306 4.930 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -4.596 -7.977 6.800 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -4.877 -6.245 7.005 1.00 0.00 H new ATOM 434 N ARG A 27 -3.901 -6.600 0.196 1.00 0.00 N ATOM 435 CA ARG A 27 -3.623 -5.581 -0.801 1.00 0.00 C ATOM 436 C ARG A 27 -4.874 -5.200 -1.558 1.00 0.00 C ATOM 437 O ARG A 27 -4.970 -4.100 -2.093 1.00 0.00 O ATOM 438 CB ARG A 27 -2.534 -6.038 -1.758 1.00 0.00 C ATOM 439 CG ARG A 27 -1.356 -6.679 -1.042 1.00 0.00 C ATOM 440 CD ARG A 27 -1.669 -8.106 -0.635 1.00 0.00 C ATOM 441 NE ARG A 27 -2.613 -8.738 -1.566 1.00 0.00 N ATOM 442 CZ ARG A 27 -2.439 -8.814 -2.891 1.00 0.00 C ATOM 443 NH1 ARG A 27 -1.318 -8.383 -3.449 1.00 0.00 N ATOM 444 NH2 ARG A 27 -3.384 -9.338 -3.659 1.00 0.00 N ATOM 0 H ARG A 27 -3.690 -7.554 -0.097 1.00 0.00 H new ATOM 0 HA ARG A 27 -3.265 -4.695 -0.276 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -2.955 -6.751 -2.467 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -2.182 -5.184 -2.336 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -0.482 -6.668 -1.693 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -1.103 -6.094 -0.158 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -0.747 -8.686 -0.601 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -2.088 -8.115 0.371 1.00 0.00 H new ATOM 0 HE ARG A 27 -3.461 -9.148 -1.175 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -0.578 -7.989 -2.868 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -1.195 -8.445 -4.460 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -4.247 -9.685 -3.241 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -3.248 -9.394 -4.668 1.00 0.00 H new ATOM 458 N ASN A 28 -5.852 -6.092 -1.594 1.00 0.00 N ATOM 459 CA ASN A 28 -7.096 -5.775 -2.280 1.00 0.00 C ATOM 460 C ASN A 28 -7.634 -4.445 -1.757 1.00 0.00 C ATOM 461 O ASN A 28 -8.058 -3.579 -2.527 1.00 0.00 O ATOM 462 CB ASN A 28 -8.116 -6.885 -2.070 1.00 0.00 C ATOM 463 CG ASN A 28 -9.005 -7.087 -3.284 1.00 0.00 C ATOM 464 OD1 ASN A 28 -9.678 -6.162 -3.737 1.00 0.00 O ATOM 465 ND2 ASN A 28 -9.015 -8.306 -3.821 1.00 0.00 N ATOM 0 H ASN A 28 -5.813 -7.018 -1.168 1.00 0.00 H new ATOM 0 HA ASN A 28 -6.907 -5.689 -3.350 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -7.596 -7.816 -1.844 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -8.735 -6.648 -1.205 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -9.595 -8.499 -4.637 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -8.442 -9.047 -3.416 1.00 0.00 H new ATOM 472 N ALA A 29 -7.578 -4.279 -0.439 1.00 0.00 N ATOM 473 CA ALA A 29 -8.031 -3.052 0.200 1.00 0.00 C ATOM 474 C ALA A 29 -6.898 -2.037 0.277 1.00 0.00 C ATOM 475 O ALA A 29 -7.125 -0.831 0.193 1.00 0.00 O ATOM 476 CB ALA A 29 -8.576 -3.350 1.588 1.00 0.00 C ATOM 0 H ALA A 29 -7.222 -4.983 0.208 1.00 0.00 H new ATOM 0 HA ALA A 29 -8.832 -2.624 -0.403 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -8.911 -2.423 2.054 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -9.416 -4.041 1.509 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -7.792 -3.800 2.198 1.00 0.00 H new ATOM 482 N PHE A 30 -5.674 -2.535 0.435 1.00 0.00 N ATOM 483 CA PHE A 30 -4.506 -1.671 0.518 1.00 0.00 C ATOM 484 C PHE A 30 -4.207 -1.038 -0.836 1.00 0.00 C ATOM 485 O PHE A 30 -4.059 0.177 -0.933 1.00 0.00 O ATOM 486 CB PHE A 30 -3.296 -2.449 1.045 1.00 0.00 C ATOM 487 CG PHE A 30 -3.229 -2.471 2.538 1.00 0.00 C ATOM 488 CD1 PHE A 30 -4.346 -2.769 3.303 1.00 0.00 C ATOM 489 CD2 PHE A 30 -2.047 -2.165 3.174 1.00 0.00 C ATOM 490 CE1 PHE A 30 -4.272 -2.764 4.680 1.00 0.00 C ATOM 491 CE2 PHE A 30 -1.968 -2.153 4.542 1.00 0.00 C ATOM 492 CZ PHE A 30 -3.079 -2.453 5.303 1.00 0.00 C ATOM 0 H PHE A 30 -5.468 -3.531 0.508 1.00 0.00 H new ATOM 0 HA PHE A 30 -4.721 -0.867 1.222 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -3.337 -3.472 0.672 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -2.383 -2.003 0.651 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -5.281 -3.007 2.817 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -1.171 -1.931 2.587 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -5.145 -3.003 5.270 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -1.034 -1.908 5.026 1.00 0.00 H new ATOM 0 HZ PHE A 30 -3.016 -2.445 6.381 1.00 0.00 H new ATOM 502 N ILE A 31 -4.158 -1.850 -1.890 1.00 0.00 N ATOM 503 CA ILE A 31 -3.915 -1.332 -3.221 1.00 0.00 C ATOM 504 C ILE A 31 -4.890 -0.196 -3.509 1.00 0.00 C ATOM 505 O ILE A 31 -4.512 0.844 -4.050 1.00 0.00 O ATOM 506 CB ILE A 31 -4.076 -2.429 -4.295 1.00 0.00 C ATOM 507 CG1 ILE A 31 -3.103 -3.586 -4.035 1.00 0.00 C ATOM 508 CG2 ILE A 31 -3.841 -1.837 -5.670 1.00 0.00 C ATOM 509 CD1 ILE A 31 -3.580 -4.909 -4.596 1.00 0.00 C ATOM 0 H ILE A 31 -4.283 -2.861 -1.842 1.00 0.00 H new ATOM 0 HA ILE A 31 -2.888 -0.968 -3.259 1.00 0.00 H new ATOM 0 HB ILE A 31 -5.091 -2.823 -4.247 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -2.135 -3.342 -4.472 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -2.951 -3.689 -2.961 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -3.956 -2.614 -6.425 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -4.566 -1.044 -5.853 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -2.833 -1.427 -5.722 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -2.845 -5.683 -4.377 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -4.534 -5.175 -4.140 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -3.705 -4.823 -5.675 1.00 0.00 H new ATOM 521 N GLN A 32 -6.148 -0.394 -3.116 1.00 0.00 N ATOM 522 CA GLN A 32 -7.172 0.625 -3.307 1.00 0.00 C ATOM 523 C GLN A 32 -6.892 1.814 -2.395 1.00 0.00 C ATOM 524 O GLN A 32 -7.071 2.968 -2.785 1.00 0.00 O ATOM 525 CB GLN A 32 -8.558 0.054 -3.015 1.00 0.00 C ATOM 526 CG GLN A 32 -8.973 -1.045 -3.977 1.00 0.00 C ATOM 527 CD GLN A 32 -10.363 -1.568 -3.702 1.00 0.00 C ATOM 528 OE1 GLN A 32 -11.182 -1.686 -4.611 1.00 0.00 O ATOM 529 NE2 GLN A 32 -10.645 -1.885 -2.444 1.00 0.00 N ATOM 0 H GLN A 32 -6.479 -1.247 -2.666 1.00 0.00 H new ATOM 0 HA GLN A 32 -7.148 0.956 -4.345 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -8.574 -0.338 -1.998 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -9.291 0.860 -3.058 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -8.928 -0.665 -4.998 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -8.261 -1.867 -3.912 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -9.937 -1.772 -1.719 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -11.570 -2.241 -2.203 1.00 0.00 H new ATOM 538 N SER A 33 -6.434 1.522 -1.178 1.00 0.00 N ATOM 539 CA SER A 33 -6.108 2.562 -0.208 1.00 0.00 C ATOM 540 C SER A 33 -5.070 3.515 -0.784 1.00 0.00 C ATOM 541 O SER A 33 -5.104 4.720 -0.534 1.00 0.00 O ATOM 542 CB SER A 33 -5.586 1.942 1.085 1.00 0.00 C ATOM 543 OG SER A 33 -6.653 1.589 1.949 1.00 0.00 O ATOM 0 H SER A 33 -6.281 0.571 -0.842 1.00 0.00 H new ATOM 0 HA SER A 33 -7.017 3.122 0.014 1.00 0.00 H new ATOM 0 HB2 SER A 33 -4.993 1.057 0.854 1.00 0.00 H new ATOM 0 HB3 SER A 33 -4.924 2.647 1.589 1.00 0.00 H new ATOM 0 HG SER A 33 -7.070 0.761 1.632 1.00 0.00 H new ATOM 549 N LEU A 34 -4.156 2.961 -1.571 1.00 0.00 N ATOM 550 CA LEU A 34 -3.107 3.743 -2.207 1.00 0.00 C ATOM 551 C LEU A 34 -3.713 4.727 -3.196 1.00 0.00 C ATOM 552 O LEU A 34 -3.515 5.939 -3.104 1.00 0.00 O ATOM 553 CB LEU A 34 -2.180 2.801 -2.985 1.00 0.00 C ATOM 554 CG LEU A 34 -1.050 2.131 -2.200 1.00 0.00 C ATOM 555 CD1 LEU A 34 -1.629 1.217 -1.137 1.00 0.00 C ATOM 556 CD2 LEU A 34 -0.190 1.320 -3.144 1.00 0.00 C ATOM 0 H LEU A 34 -4.122 1.964 -1.784 1.00 0.00 H new ATOM 0 HA LEU A 34 -2.556 4.283 -1.437 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -2.792 2.018 -3.433 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.735 3.365 -3.804 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.444 2.900 -1.721 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -0.818 0.744 -0.583 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -2.245 1.800 -0.452 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -2.241 0.449 -1.611 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.615 0.843 -2.584 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.800 0.556 -3.626 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.236 1.976 -3.903 1.00 0.00 H new ATOM 568 N LYS A 35 -4.436 4.167 -4.155 1.00 0.00 N ATOM 569 CA LYS A 35 -5.076 4.944 -5.213 1.00 0.00 C ATOM 570 C LYS A 35 -5.964 6.051 -4.653 1.00 0.00 C ATOM 571 O LYS A 35 -6.221 7.046 -5.325 1.00 0.00 O ATOM 572 CB LYS A 35 -5.903 4.023 -6.114 1.00 0.00 C ATOM 573 CG LYS A 35 -5.079 2.938 -6.791 1.00 0.00 C ATOM 574 CD LYS A 35 -3.940 3.530 -7.606 1.00 0.00 C ATOM 575 CE LYS A 35 -3.519 2.602 -8.735 1.00 0.00 C ATOM 576 NZ LYS A 35 -2.089 2.791 -9.104 1.00 0.00 N ATOM 0 H LYS A 35 -4.597 3.162 -4.224 1.00 0.00 H new ATOM 0 HA LYS A 35 -4.285 5.416 -5.795 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -6.688 3.555 -5.520 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -6.397 4.623 -6.878 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -4.675 2.262 -6.037 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -5.722 2.343 -7.440 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -4.248 4.490 -8.019 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -3.087 3.722 -6.955 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -3.683 1.567 -8.435 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -4.146 2.784 -9.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -1.841 2.141 -9.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -1.937 3.772 -9.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -1.488 2.593 -8.278 1.00 0.00 H new ATOM 590 N ASP A 36 -6.440 5.872 -3.429 1.00 0.00 N ATOM 591 CA ASP A 36 -7.306 6.865 -2.807 1.00 0.00 C ATOM 592 C ASP A 36 -6.511 8.082 -2.349 1.00 0.00 C ATOM 593 O ASP A 36 -6.828 9.211 -2.712 1.00 0.00 O ATOM 594 CB ASP A 36 -8.057 6.252 -1.622 1.00 0.00 C ATOM 595 CG ASP A 36 -9.385 5.645 -2.031 1.00 0.00 C ATOM 596 OD1 ASP A 36 -9.373 4.618 -2.742 1.00 0.00 O ATOM 597 OD2 ASP A 36 -10.435 6.197 -1.642 1.00 0.00 O ATOM 0 H ASP A 36 -6.244 5.055 -2.850 1.00 0.00 H new ATOM 0 HA ASP A 36 -8.028 7.192 -3.555 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -7.436 5.484 -1.160 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -8.228 7.020 -0.868 1.00 0.00 H new ATOM 602 N ASP A 37 -5.479 7.847 -1.549 1.00 0.00 N ATOM 603 CA ASP A 37 -4.648 8.933 -1.047 1.00 0.00 C ATOM 604 C ASP A 37 -3.203 8.472 -0.865 1.00 0.00 C ATOM 605 O ASP A 37 -2.950 7.396 -0.323 1.00 0.00 O ATOM 606 CB ASP A 37 -5.205 9.455 0.279 1.00 0.00 C ATOM 607 CG ASP A 37 -5.848 10.821 0.136 1.00 0.00 C ATOM 608 OD1 ASP A 37 -5.225 11.708 -0.484 1.00 0.00 O ATOM 609 OD2 ASP A 37 -6.975 11.004 0.644 1.00 0.00 O ATOM 0 H ASP A 37 -5.198 6.918 -1.235 1.00 0.00 H new ATOM 0 HA ASP A 37 -4.661 9.740 -1.780 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -5.940 8.749 0.665 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -4.400 9.510 1.012 1.00 0.00 H new ATOM 614 N PRO A 38 -2.230 9.291 -1.304 1.00 0.00 N ATOM 615 CA PRO A 38 -0.815 8.968 -1.175 1.00 0.00 C ATOM 616 C PRO A 38 -0.273 9.384 0.190 1.00 0.00 C ATOM 617 O PRO A 38 0.706 8.822 0.680 1.00 0.00 O ATOM 618 CB PRO A 38 -0.181 9.794 -2.287 1.00 0.00 C ATOM 619 CG PRO A 38 -1.042 11.003 -2.387 1.00 0.00 C ATOM 620 CD PRO A 38 -2.430 10.602 -1.948 1.00 0.00 C ATOM 0 HA PRO A 38 -0.609 7.900 -1.253 1.00 0.00 H new ATOM 0 HB2 PRO A 38 0.849 10.058 -2.048 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -0.158 9.243 -3.227 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -0.655 11.803 -1.756 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -1.056 11.381 -3.409 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -2.856 11.328 -1.255 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -3.113 10.532 -2.795 1.00 0.00 H new ATOM 628 N SER A 39 -0.932 10.357 0.813 1.00 0.00 N ATOM 629 CA SER A 39 -0.529 10.820 2.132 1.00 0.00 C ATOM 630 C SER A 39 -0.720 9.692 3.136 1.00 0.00 C ATOM 631 O SER A 39 0.051 9.541 4.083 1.00 0.00 O ATOM 632 CB SER A 39 -1.348 12.044 2.549 1.00 0.00 C ATOM 633 OG SER A 39 -1.491 12.951 1.471 1.00 0.00 O ATOM 0 H SER A 39 -1.744 10.837 0.425 1.00 0.00 H new ATOM 0 HA SER A 39 0.521 11.111 2.104 1.00 0.00 H new ATOM 0 HB2 SER A 39 -2.332 11.727 2.895 1.00 0.00 H new ATOM 0 HB3 SER A 39 -0.861 12.543 3.387 1.00 0.00 H new ATOM 0 HG SER A 39 -2.019 13.724 1.761 1.00 0.00 H new ATOM 639 N GLN A 40 -1.751 8.885 2.895 1.00 0.00 N ATOM 640 CA GLN A 40 -2.056 7.741 3.742 1.00 0.00 C ATOM 641 C GLN A 40 -1.422 6.479 3.166 1.00 0.00 C ATOM 642 O GLN A 40 -1.412 5.429 3.810 1.00 0.00 O ATOM 643 CB GLN A 40 -3.571 7.550 3.869 1.00 0.00 C ATOM 644 CG GLN A 40 -4.360 8.856 3.879 1.00 0.00 C ATOM 645 CD GLN A 40 -5.328 8.941 5.042 1.00 0.00 C ATOM 646 OE1 GLN A 40 -5.204 9.809 5.907 1.00 0.00 O ATOM 647 NE2 GLN A 40 -6.300 8.035 5.072 1.00 0.00 N ATOM 0 H GLN A 40 -2.393 9.007 2.112 1.00 0.00 H new ATOM 0 HA GLN A 40 -1.645 7.929 4.734 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -3.920 6.932 3.042 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -3.783 7.002 4.787 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -3.666 9.695 3.926 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -4.912 8.950 2.944 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -6.366 7.333 4.335 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -6.980 8.041 5.832 1.00 0.00 H new ATOM 656 N SER A 41 -0.891 6.587 1.946 1.00 0.00 N ATOM 657 CA SER A 41 -0.251 5.459 1.286 1.00 0.00 C ATOM 658 C SER A 41 0.869 4.894 2.147 1.00 0.00 C ATOM 659 O SER A 41 1.240 3.729 2.024 1.00 0.00 O ATOM 660 CB SER A 41 0.270 5.861 -0.091 1.00 0.00 C ATOM 661 OG SER A 41 -0.742 5.720 -1.071 1.00 0.00 O ATOM 0 H SER A 41 -0.894 7.448 1.399 1.00 0.00 H new ATOM 0 HA SER A 41 -0.998 4.677 1.149 1.00 0.00 H new ATOM 0 HB2 SER A 41 0.617 6.894 -0.066 1.00 0.00 H new ATOM 0 HB3 SER A 41 1.128 5.242 -0.355 1.00 0.00 H new ATOM 0 HG SER A 41 -1.554 6.180 -0.772 1.00 0.00 H new ATOM 667 N ALA A 42 1.387 5.713 3.044 1.00 0.00 N ATOM 668 CA ALA A 42 2.426 5.263 3.946 1.00 0.00 C ATOM 669 C ALA A 42 1.825 4.287 4.954 1.00 0.00 C ATOM 670 O ALA A 42 2.525 3.464 5.542 1.00 0.00 O ATOM 671 CB ALA A 42 3.080 6.441 4.651 1.00 0.00 C ATOM 0 H ALA A 42 1.106 6.686 3.166 1.00 0.00 H new ATOM 0 HA ALA A 42 3.203 4.754 3.375 1.00 0.00 H new ATOM 0 HB1 ALA A 42 3.857 6.077 5.323 1.00 0.00 H new ATOM 0 HB2 ALA A 42 3.523 7.107 3.911 1.00 0.00 H new ATOM 0 HB3 ALA A 42 2.329 6.984 5.225 1.00 0.00 H new ATOM 677 N ASN A 43 0.508 4.392 5.136 1.00 0.00 N ATOM 678 CA ASN A 43 -0.226 3.534 6.054 1.00 0.00 C ATOM 679 C ASN A 43 -0.344 2.141 5.469 1.00 0.00 C ATOM 680 O ASN A 43 -0.069 1.140 6.131 1.00 0.00 O ATOM 681 CB ASN A 43 -1.625 4.107 6.263 1.00 0.00 C ATOM 682 CG ASN A 43 -2.227 3.714 7.598 1.00 0.00 C ATOM 683 OD1 ASN A 43 -2.309 2.532 7.930 1.00 0.00 O ATOM 684 ND2 ASN A 43 -2.652 4.707 8.369 1.00 0.00 N ATOM 0 H ASN A 43 -0.075 5.074 4.650 1.00 0.00 H new ATOM 0 HA ASN A 43 0.304 3.484 7.005 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -1.581 5.194 6.195 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -2.277 3.763 5.460 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -3.067 4.505 9.278 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -2.563 5.672 8.052 1.00 0.00 H new ATOM 691 N VAL A 44 -0.740 2.098 4.207 1.00 0.00 N ATOM 692 CA VAL A 44 -0.885 0.849 3.488 1.00 0.00 C ATOM 693 C VAL A 44 0.432 0.081 3.491 1.00 0.00 C ATOM 694 O VAL A 44 0.470 -1.109 3.797 1.00 0.00 O ATOM 695 CB VAL A 44 -1.337 1.067 2.032 1.00 0.00 C ATOM 696 CG1 VAL A 44 -2.836 0.891 1.912 1.00 0.00 C ATOM 697 CG2 VAL A 44 -0.940 2.430 1.494 1.00 0.00 C ATOM 0 H VAL A 44 -0.968 2.926 3.657 1.00 0.00 H new ATOM 0 HA VAL A 44 -1.656 0.274 4.002 1.00 0.00 H new ATOM 0 HB VAL A 44 -0.826 0.315 1.431 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -3.139 1.048 0.877 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -3.110 -0.118 2.221 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -3.340 1.616 2.552 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -1.284 2.529 0.464 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -1.395 3.209 2.105 1.00 0.00 H new ATOM 0 HG23 VAL A 44 0.145 2.532 1.526 1.00 0.00 H new ATOM 707 N LEU A 45 1.511 0.778 3.161 1.00 0.00 N ATOM 708 CA LEU A 45 2.837 0.172 3.137 1.00 0.00 C ATOM 709 C LEU A 45 3.309 -0.108 4.554 1.00 0.00 C ATOM 710 O LEU A 45 3.878 -1.163 4.833 1.00 0.00 O ATOM 711 CB LEU A 45 3.845 1.067 2.408 1.00 0.00 C ATOM 712 CG LEU A 45 4.041 2.469 2.986 1.00 0.00 C ATOM 713 CD1 LEU A 45 5.000 2.431 4.169 1.00 0.00 C ATOM 714 CD2 LEU A 45 4.562 3.415 1.910 1.00 0.00 C ATOM 0 H LEU A 45 1.495 1.765 2.906 1.00 0.00 H new ATOM 0 HA LEU A 45 2.769 -0.769 2.591 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.810 0.561 2.400 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.528 1.165 1.370 1.00 0.00 H new ATOM 0 HG LEU A 45 3.077 2.836 3.337 1.00 0.00 H new ATOM 0 HD11 LEU A 45 5.127 3.438 4.567 1.00 0.00 H new ATOM 0 HD12 LEU A 45 4.594 1.782 4.945 1.00 0.00 H new ATOM 0 HD13 LEU A 45 5.966 2.046 3.842 1.00 0.00 H new ATOM 0 HD21 LEU A 45 4.697 4.410 2.335 1.00 0.00 H new ATOM 0 HD22 LEU A 45 5.517 3.048 1.534 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.845 3.465 1.091 1.00 0.00 H new ATOM 725 N ALA A 46 3.052 0.837 5.456 1.00 0.00 N ATOM 726 CA ALA A 46 3.436 0.674 6.851 1.00 0.00 C ATOM 727 C ALA A 46 2.941 -0.666 7.365 1.00 0.00 C ATOM 728 O ALA A 46 3.707 -1.473 7.902 1.00 0.00 O ATOM 729 CB ALA A 46 2.877 1.812 7.694 1.00 0.00 C ATOM 0 H ALA A 46 2.582 1.717 5.245 1.00 0.00 H new ATOM 0 HA ALA A 46 4.523 0.700 6.926 1.00 0.00 H new ATOM 0 HB1 ALA A 46 3.174 1.674 8.734 1.00 0.00 H new ATOM 0 HB2 ALA A 46 3.267 2.762 7.328 1.00 0.00 H new ATOM 0 HB3 ALA A 46 1.789 1.816 7.624 1.00 0.00 H new ATOM 735 N GLU A 47 1.656 -0.922 7.163 1.00 0.00 N ATOM 736 CA GLU A 47 1.086 -2.179 7.577 1.00 0.00 C ATOM 737 C GLU A 47 1.505 -3.255 6.590 1.00 0.00 C ATOM 738 O GLU A 47 1.702 -4.403 6.971 1.00 0.00 O ATOM 739 CB GLU A 47 -0.439 -2.096 7.679 1.00 0.00 C ATOM 740 CG GLU A 47 -0.961 -0.724 8.084 1.00 0.00 C ATOM 741 CD GLU A 47 -1.887 -0.780 9.282 1.00 0.00 C ATOM 742 OE1 GLU A 47 -1.724 -1.695 10.117 1.00 0.00 O ATOM 743 OE2 GLU A 47 -2.777 0.090 9.387 1.00 0.00 O ATOM 0 H GLU A 47 1.001 -0.278 6.719 1.00 0.00 H new ATOM 0 HA GLU A 47 1.457 -2.428 8.571 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -0.872 -2.368 6.717 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -0.785 -2.833 8.404 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -0.118 -0.072 8.312 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -1.490 -0.278 7.242 1.00 0.00 H new ATOM 750 N ALA A 48 1.676 -2.876 5.315 1.00 0.00 N ATOM 751 CA ALA A 48 2.105 -3.839 4.297 1.00 0.00 C ATOM 752 C ALA A 48 3.269 -4.675 4.803 1.00 0.00 C ATOM 753 O ALA A 48 3.460 -5.820 4.392 1.00 0.00 O ATOM 754 CB ALA A 48 2.493 -3.125 3.022 1.00 0.00 C ATOM 0 H ALA A 48 1.527 -1.927 4.971 1.00 0.00 H new ATOM 0 HA ALA A 48 1.267 -4.504 4.086 1.00 0.00 H new ATOM 0 HB1 ALA A 48 2.809 -3.856 2.277 1.00 0.00 H new ATOM 0 HB2 ALA A 48 1.637 -2.567 2.643 1.00 0.00 H new ATOM 0 HB3 ALA A 48 3.313 -2.437 3.226 1.00 0.00 H new ATOM 760 N GLN A 49 4.037 -4.087 5.705 1.00 0.00 N ATOM 761 CA GLN A 49 5.179 -4.745 6.295 1.00 0.00 C ATOM 762 C GLN A 49 4.732 -5.668 7.426 1.00 0.00 C ATOM 763 O GLN A 49 5.286 -6.751 7.615 1.00 0.00 O ATOM 764 CB GLN A 49 6.140 -3.670 6.795 1.00 0.00 C ATOM 765 CG GLN A 49 6.391 -3.705 8.291 1.00 0.00 C ATOM 766 CD GLN A 49 7.459 -2.722 8.729 1.00 0.00 C ATOM 767 OE1 GLN A 49 8.493 -2.580 8.077 1.00 0.00 O ATOM 768 NE2 GLN A 49 7.213 -2.038 9.841 1.00 0.00 N ATOM 0 H GLN A 49 3.882 -3.138 6.046 1.00 0.00 H new ATOM 0 HA GLN A 49 5.687 -5.366 5.557 1.00 0.00 H new ATOM 0 HB2 GLN A 49 7.092 -3.780 6.276 1.00 0.00 H new ATOM 0 HB3 GLN A 49 5.743 -2.691 6.528 1.00 0.00 H new ATOM 0 HG2 GLN A 49 5.462 -3.484 8.816 1.00 0.00 H new ATOM 0 HG3 GLN A 49 6.689 -4.712 8.582 1.00 0.00 H new ATOM 0 HE21 GLN A 49 6.342 -2.188 10.350 1.00 0.00 H new ATOM 0 HE22 GLN A 49 7.895 -1.363 10.186 1.00 0.00 H new ATOM 777 N LYS A 50 3.720 -5.230 8.169 1.00 0.00 N ATOM 778 CA LYS A 50 3.191 -6.019 9.277 1.00 0.00 C ATOM 779 C LYS A 50 2.259 -7.115 8.770 1.00 0.00 C ATOM 780 O LYS A 50 2.301 -8.245 9.247 1.00 0.00 O ATOM 781 CB LYS A 50 2.444 -5.121 10.270 1.00 0.00 C ATOM 782 CG LYS A 50 1.472 -5.874 11.174 1.00 0.00 C ATOM 783 CD LYS A 50 0.700 -4.926 12.077 1.00 0.00 C ATOM 784 CE LYS A 50 -0.611 -4.493 11.440 1.00 0.00 C ATOM 785 NZ LYS A 50 -1.411 -5.657 10.967 1.00 0.00 N ATOM 0 H LYS A 50 3.251 -4.336 8.025 1.00 0.00 H new ATOM 0 HA LYS A 50 4.034 -6.486 9.786 1.00 0.00 H new ATOM 0 HB2 LYS A 50 3.172 -4.598 10.891 1.00 0.00 H new ATOM 0 HB3 LYS A 50 1.894 -4.361 9.715 1.00 0.00 H new ATOM 0 HG2 LYS A 50 0.773 -6.445 10.563 1.00 0.00 H new ATOM 0 HG3 LYS A 50 2.022 -6.591 11.783 1.00 0.00 H new ATOM 0 HD2 LYS A 50 0.499 -5.414 13.031 1.00 0.00 H new ATOM 0 HD3 LYS A 50 1.310 -4.048 12.290 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -1.194 -3.922 12.162 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -0.405 -3.829 10.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -2.419 -5.403 10.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -1.108 -5.919 10.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -1.265 -6.462 11.608 1.00 0.00 H new ATOM 799 N LEU A 51 1.412 -6.767 7.810 1.00 0.00 N ATOM 800 CA LEU A 51 0.459 -7.717 7.247 1.00 0.00 C ATOM 801 C LEU A 51 1.192 -8.888 6.613 1.00 0.00 C ATOM 802 O LEU A 51 0.873 -10.049 6.859 1.00 0.00 O ATOM 803 CB LEU A 51 -0.451 -7.065 6.194 1.00 0.00 C ATOM 804 CG LEU A 51 -0.764 -5.581 6.389 1.00 0.00 C ATOM 805 CD1 LEU A 51 -0.827 -4.865 5.048 1.00 0.00 C ATOM 806 CD2 LEU A 51 -2.062 -5.408 7.154 1.00 0.00 C ATOM 0 H LEU A 51 1.365 -5.833 7.404 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.165 -8.067 8.069 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.014 -7.190 5.216 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.393 -7.612 6.171 1.00 0.00 H new ATOM 0 HG LEU A 51 0.039 -5.133 6.974 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.051 -3.810 5.209 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.133 -4.959 4.540 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.608 -5.312 4.433 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -2.269 -4.346 7.284 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.877 -5.871 6.598 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -1.974 -5.882 8.131 1.00 0.00 H new ATOM 818 N ASN A 52 2.183 -8.574 5.792 1.00 0.00 N ATOM 819 CA ASN A 52 2.964 -9.609 5.126 1.00 0.00 C ATOM 820 C ASN A 52 3.551 -10.563 6.148 1.00 0.00 C ATOM 821 O ASN A 52 3.642 -11.769 5.918 1.00 0.00 O ATOM 822 CB ASN A 52 4.091 -8.989 4.311 1.00 0.00 C ATOM 823 CG ASN A 52 4.877 -10.019 3.528 1.00 0.00 C ATOM 824 OD1 ASN A 52 4.507 -10.391 2.415 1.00 0.00 O ATOM 825 ND2 ASN A 52 5.975 -10.490 4.112 1.00 0.00 N ATOM 0 H ASN A 52 2.465 -7.619 5.571 1.00 0.00 H new ATOM 0 HA ASN A 52 2.300 -10.157 4.457 1.00 0.00 H new ATOM 0 HB2 ASN A 52 3.675 -8.254 3.622 1.00 0.00 H new ATOM 0 HB3 ASN A 52 4.765 -8.453 4.979 1.00 0.00 H new ATOM 0 HD21 ASN A 52 6.547 -11.187 3.636 1.00 0.00 H new ATOM 0 HD22 ASN A 52 6.245 -10.154 5.036 1.00 0.00 H new ATOM 832 N ASP A 53 3.952 -10.003 7.279 1.00 0.00 N ATOM 833 CA ASP A 53 4.533 -10.790 8.345 1.00 0.00 C ATOM 834 C ASP A 53 3.452 -11.343 9.268 1.00 0.00 C ATOM 835 O ASP A 53 3.650 -12.364 9.928 1.00 0.00 O ATOM 836 CB ASP A 53 5.533 -9.957 9.150 1.00 0.00 C ATOM 837 CG ASP A 53 6.458 -9.143 8.263 1.00 0.00 C ATOM 838 OD1 ASP A 53 6.582 -9.480 7.068 1.00 0.00 O ATOM 839 OD2 ASP A 53 7.057 -8.170 8.766 1.00 0.00 O ATOM 0 H ASP A 53 3.884 -9.005 7.478 1.00 0.00 H new ATOM 0 HA ASP A 53 5.061 -11.628 7.890 1.00 0.00 H new ATOM 0 HB2 ASP A 53 4.990 -9.286 9.816 1.00 0.00 H new ATOM 0 HB3 ASP A 53 6.128 -10.618 9.780 1.00 0.00 H new ATOM 844 N VAL A 54 2.307 -10.659 9.316 1.00 0.00 N ATOM 845 CA VAL A 54 1.200 -11.078 10.162 1.00 0.00 C ATOM 846 C VAL A 54 0.818 -12.530 9.880 1.00 0.00 C ATOM 847 O VAL A 54 0.262 -13.217 10.738 1.00 0.00 O ATOM 848 CB VAL A 54 -0.026 -10.153 9.969 1.00 0.00 C ATOM 849 CG1 VAL A 54 -0.845 -10.549 8.748 1.00 0.00 C ATOM 850 CG2 VAL A 54 -0.895 -10.146 11.217 1.00 0.00 C ATOM 0 H VAL A 54 2.127 -9.812 8.776 1.00 0.00 H new ATOM 0 HA VAL A 54 1.527 -11.002 11.199 1.00 0.00 H new ATOM 0 HB VAL A 54 0.349 -9.144 9.799 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -1.696 -9.876 8.647 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -0.223 -10.483 7.856 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -1.203 -11.572 8.866 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -1.751 -9.490 11.061 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -1.246 -11.158 11.422 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -0.312 -9.786 12.064 1.00 0.00 H new ATOM 860 N GLN A 55 1.126 -12.986 8.668 1.00 0.00 N ATOM 861 CA GLN A 55 0.822 -14.353 8.261 1.00 0.00 C ATOM 862 C GLN A 55 2.085 -15.072 7.794 1.00 0.00 C ATOM 863 O GLN A 55 2.017 -16.015 7.005 1.00 0.00 O ATOM 864 CB GLN A 55 -0.225 -14.352 7.144 1.00 0.00 C ATOM 865 CG GLN A 55 0.280 -13.777 5.829 1.00 0.00 C ATOM 866 CD GLN A 55 -0.784 -13.775 4.750 1.00 0.00 C ATOM 867 OE1 GLN A 55 -0.947 -14.754 4.021 1.00 0.00 O ATOM 868 NE2 GLN A 55 -1.516 -12.673 4.641 1.00 0.00 N ATOM 0 H GLN A 55 1.587 -12.426 7.950 1.00 0.00 H new ATOM 0 HA GLN A 55 0.421 -14.885 9.123 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -0.565 -15.374 6.976 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -1.092 -13.778 7.472 1.00 0.00 H new ATOM 0 HG2 GLN A 55 0.629 -12.757 5.992 1.00 0.00 H new ATOM 0 HG3 GLN A 55 1.138 -14.357 5.488 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -1.347 -11.885 5.266 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -2.247 -12.614 3.932 1.00 0.00 H new ATOM 877 N ALA A 56 3.235 -14.622 8.286 1.00 0.00 N ATOM 878 CA ALA A 56 4.512 -15.221 7.918 1.00 0.00 C ATOM 879 C ALA A 56 5.160 -15.912 9.116 1.00 0.00 C ATOM 880 O ALA A 56 5.318 -15.307 10.176 1.00 0.00 O ATOM 881 CB ALA A 56 5.446 -14.160 7.352 1.00 0.00 C ATOM 0 H ALA A 56 3.308 -13.844 8.941 1.00 0.00 H new ATOM 0 HA ALA A 56 4.326 -15.975 7.153 1.00 0.00 H new ATOM 0 HB1 ALA A 56 6.397 -14.619 7.081 1.00 0.00 H new ATOM 0 HB2 ALA A 56 4.994 -13.712 6.467 1.00 0.00 H new ATOM 0 HB3 ALA A 56 5.617 -13.388 8.102 1.00 0.00 H new ATOM 887 N PRO A 57 5.548 -17.193 8.966 1.00 0.00 N ATOM 888 CA PRO A 57 6.183 -17.952 10.049 1.00 0.00 C ATOM 889 C PRO A 57 7.387 -17.221 10.633 1.00 0.00 C ATOM 890 O PRO A 57 7.659 -17.308 11.829 1.00 0.00 O ATOM 891 CB PRO A 57 6.626 -19.248 9.366 1.00 0.00 C ATOM 892 CG PRO A 57 5.712 -19.394 8.199 1.00 0.00 C ATOM 893 CD PRO A 57 5.403 -17.998 7.738 1.00 0.00 C ATOM 0 HA PRO A 57 5.506 -18.109 10.889 1.00 0.00 H new ATOM 0 HB2 PRO A 57 7.667 -19.192 9.049 1.00 0.00 H new ATOM 0 HB3 PRO A 57 6.544 -20.099 10.042 1.00 0.00 H new ATOM 0 HG2 PRO A 57 6.183 -19.972 7.404 1.00 0.00 H new ATOM 0 HG3 PRO A 57 4.801 -19.923 8.480 1.00 0.00 H new ATOM 0 HD2 PRO A 57 6.091 -17.670 6.959 1.00 0.00 H new ATOM 0 HD3 PRO A 57 4.397 -17.924 7.326 1.00 0.00 H new ATOM 901 N LYS A 58 8.102 -16.498 9.777 1.00 0.00 N ATOM 902 CA LYS A 58 9.277 -15.749 10.204 1.00 0.00 C ATOM 903 C LYS A 58 9.850 -14.935 9.046 1.00 0.00 C ATOM 904 O LYS A 58 10.173 -13.758 9.202 1.00 0.00 O ATOM 905 CB LYS A 58 10.347 -16.704 10.754 1.00 0.00 C ATOM 906 CG LYS A 58 10.721 -16.427 12.202 1.00 0.00 C ATOM 907 CD LYS A 58 12.213 -16.600 12.436 1.00 0.00 C ATOM 908 CE LYS A 58 12.726 -15.631 13.490 1.00 0.00 C ATOM 909 NZ LYS A 58 12.070 -15.845 14.808 1.00 0.00 N ATOM 0 H LYS A 58 7.888 -16.415 8.783 1.00 0.00 H new ATOM 0 HA LYS A 58 8.974 -15.062 10.994 1.00 0.00 H new ATOM 0 HB2 LYS A 58 9.986 -17.729 10.670 1.00 0.00 H new ATOM 0 HB3 LYS A 58 11.241 -16.630 10.135 1.00 0.00 H new ATOM 0 HG2 LYS A 58 10.426 -15.412 12.467 1.00 0.00 H new ATOM 0 HG3 LYS A 58 10.169 -17.101 12.857 1.00 0.00 H new ATOM 0 HD2 LYS A 58 12.417 -17.623 12.751 1.00 0.00 H new ATOM 0 HD3 LYS A 58 12.750 -16.441 11.501 1.00 0.00 H new ATOM 0 HE2 LYS A 58 13.804 -15.750 13.598 1.00 0.00 H new ATOM 0 HE3 LYS A 58 12.549 -14.608 13.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 12.518 -15.236 15.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 11.060 -15.608 14.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 12.173 -16.841 15.089 1.00 0.00 H new ATOM 923 N ALA A 59 9.970 -15.572 7.885 1.00 0.00 N ATOM 924 CA ALA A 59 10.502 -14.909 6.701 1.00 0.00 C ATOM 925 C ALA A 59 11.930 -14.427 6.936 1.00 0.00 C ATOM 926 O ALA A 59 12.867 -15.106 6.464 1.00 0.00 O ATOM 927 CB ALA A 59 9.609 -13.743 6.304 1.00 0.00 C ATOM 928 OXT ALA A 59 12.099 -13.376 7.587 1.00 0.00 O ATOM 0 H ALA A 59 9.706 -16.546 7.740 1.00 0.00 H new ATOM 0 HA ALA A 59 10.520 -15.633 5.887 1.00 0.00 H new ATOM 0 HB1 ALA A 59 10.018 -13.257 5.418 1.00 0.00 H new ATOM 0 HB2 ALA A 59 8.606 -14.110 6.086 1.00 0.00 H new ATOM 0 HB3 ALA A 59 9.562 -13.025 7.123 1.00 0.00 H new TER 934 ALA A 59