USER MOD reduce.3.24.130724 H: found=0, std=0, add=520, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 521 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 122 CYS SG : rot -29:sc= 0.0615 USER MOD Set 1.2: A 136 CYS SG : rot 25:sc= 0.336 USER MOD Set 2.1: A 109 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 113 MET CE :methyl -166:sc= -0.0112 (180deg=-0.253) USER MOD Single : A 102 CYS SG : rot 180:sc= 0 USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 ASN : amide:sc= -0.016 K(o=-0.016,f=-1.3!) USER MOD Single : A 107 GLN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : A 111 GLN : amide:sc= 0 K(o=0,f=-0.99) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 ASN : amide:sc= 0 K(o=0,f=-0.91) USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD Single : A 120 TYR OH : rot 180:sc= -0.193 USER MOD Single : A 121 GLN : amide:sc= 0 K(o=0,f=-0.94) USER MOD Single : A 123 GLN : amide:sc= 0 K(o=0,f=-0.86) USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 THR OG1 : rot 180:sc= 0 USER MOD Single : A 132 THR OG1 : rot 180:sc= 0 USER MOD Single : A 133 GLN : amide:sc= 0 K(o=0,f=-0.89) USER MOD Single : A 135 THR OG1 : rot 180:sc= 0 USER MOD Single : A 137 THR OG1 : rot 180:sc= -0.215 USER MOD Single : A 144 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 145 TYR OH : rot 180:sc= 0 USER MOD Single : A 146 THR OG1 : rot 180:sc= 0 USER MOD Single : A 150 THR OG1 : rot 95:sc= 0.307 USER MOD Single : A 152 THR OG1 : rot 180:sc= 0 USER MOD Single : A 153 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 154 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 159 SER OG : rot 120:sc= 0.683 USER MOD Single : A 163 THR OG1 : rot 164:sc= 0.938 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 101 -2.965 7.614 5.478 1.00 0.00 N ATOM 2 CA LEU A 101 -4.273 7.133 5.904 1.00 0.00 C ATOM 3 C LEU A 101 -4.354 7.033 7.423 1.00 0.00 C ATOM 4 O LEU A 101 -5.341 7.450 8.030 1.00 0.00 O ATOM 5 CB LEU A 101 -4.572 5.773 5.263 1.00 0.00 C ATOM 6 CG LEU A 101 -4.804 5.803 3.747 1.00 0.00 C ATOM 7 CD1 LEU A 101 -4.915 4.383 3.206 1.00 0.00 C ATOM 8 CD2 LEU A 101 -6.066 6.596 3.440 1.00 0.00 C ATOM 0 HA LEU A 101 -5.023 7.852 5.574 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -3.742 5.099 5.474 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -5.455 5.350 5.741 1.00 0.00 H new ATOM 0 HG LEU A 101 -3.958 6.288 3.261 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -5.080 4.416 2.129 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -3.993 3.841 3.416 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -5.752 3.875 3.686 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -6.230 6.617 2.363 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -6.919 6.125 3.928 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -5.954 7.615 3.809 1.00 0.00 H new ATOM 20 N CYS A 102 -3.312 6.476 8.031 1.00 0.00 N ATOM 21 CA CYS A 102 -3.246 6.358 9.482 1.00 0.00 C ATOM 22 C CYS A 102 -3.110 7.725 10.140 1.00 0.00 C ATOM 23 O CYS A 102 -3.683 7.972 11.201 1.00 0.00 O ATOM 24 CB CYS A 102 -1.978 5.529 9.695 1.00 0.00 C ATOM 25 SG CYS A 102 -2.132 3.789 9.226 1.00 0.00 S ATOM 0 H CYS A 102 -2.501 6.099 7.540 1.00 0.00 H new ATOM 0 HA CYS A 102 -4.140 5.911 9.917 1.00 0.00 H new ATOM 0 HB2 CYS A 102 -1.166 5.976 9.122 1.00 0.00 H new ATOM 0 HB3 CYS A 102 -1.695 5.585 10.746 1.00 0.00 H new ATOM 0 HG CYS A 102 -1.005 3.179 9.444 1.00 0.00 H new ATOM 31 N LYS A 103 -2.350 8.609 9.505 1.00 0.00 N ATOM 32 CA LYS A 103 -2.184 9.971 9.997 1.00 0.00 C ATOM 33 C LYS A 103 -3.529 10.677 10.125 1.00 0.00 C ATOM 34 O LYS A 103 -3.777 11.389 11.098 1.00 0.00 O ATOM 35 CB LYS A 103 -1.260 10.766 9.074 1.00 0.00 C ATOM 36 CG LYS A 103 -0.999 12.197 9.525 1.00 0.00 C ATOM 37 CD LYS A 103 -0.008 12.896 8.607 1.00 0.00 C ATOM 38 CE LYS A 103 0.232 14.334 9.040 1.00 0.00 C ATOM 39 NZ LYS A 103 1.190 15.034 8.143 1.00 0.00 N ATOM 0 H LYS A 103 -1.838 8.406 8.646 1.00 0.00 H new ATOM 0 HA LYS A 103 -1.731 9.915 10.987 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -0.307 10.243 8.996 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -1.695 10.787 8.075 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -1.937 12.752 9.540 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -0.613 12.194 10.545 1.00 0.00 H new ATOM 0 HD2 LYS A 103 0.937 12.352 8.607 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -0.384 12.881 7.584 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -0.716 14.873 9.049 1.00 0.00 H new ATOM 0 HE3 LYS A 103 0.616 14.346 10.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 1.325 16.011 8.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 2.103 14.536 8.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 0.813 15.046 7.174 1.00 0.00 H new ATOM 53 N ASN A 104 -4.394 10.474 9.137 1.00 0.00 N ATOM 54 CA ASN A 104 -5.733 11.052 9.161 1.00 0.00 C ATOM 55 C ASN A 104 -6.562 10.475 10.300 1.00 0.00 C ATOM 56 O ASN A 104 -7.285 11.200 10.984 1.00 0.00 O ATOM 57 CB ASN A 104 -6.447 10.851 7.837 1.00 0.00 C ATOM 58 CG ASN A 104 -5.918 11.715 6.727 1.00 0.00 C ATOM 59 OD1 ASN A 104 -5.279 12.747 6.965 1.00 0.00 O ATOM 60 ND2 ASN A 104 -6.252 11.345 5.516 1.00 0.00 N ATOM 0 H ASN A 104 -4.192 9.913 8.309 1.00 0.00 H new ATOM 0 HA ASN A 104 -5.618 12.123 9.327 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -6.361 9.805 7.543 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -7.509 11.058 7.972 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -5.984 11.918 4.716 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -6.780 10.484 5.373 1.00 0.00 H new ATOM 67 N LEU A 105 -6.455 9.165 10.500 1.00 0.00 N ATOM 68 CA LEU A 105 -7.183 8.490 11.566 1.00 0.00 C ATOM 69 C LEU A 105 -6.718 8.964 12.938 1.00 0.00 C ATOM 70 O LEU A 105 -7.528 9.178 13.839 1.00 0.00 O ATOM 71 CB LEU A 105 -7.017 6.971 11.443 1.00 0.00 C ATOM 72 CG LEU A 105 -7.686 6.338 10.216 1.00 0.00 C ATOM 73 CD1 LEU A 105 -7.279 4.876 10.095 1.00 0.00 C ATOM 74 CD2 LEU A 105 -9.197 6.470 10.337 1.00 0.00 C ATOM 0 H LEU A 105 -5.869 8.550 9.936 1.00 0.00 H new ATOM 0 HA LEU A 105 -8.239 8.740 11.464 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -5.952 6.739 11.417 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -7.423 6.503 12.340 1.00 0.00 H new ATOM 0 HG LEU A 105 -7.360 6.857 9.315 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -7.759 4.436 9.221 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -6.196 4.807 9.987 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -7.590 4.337 10.990 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -9.672 6.020 9.465 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -9.536 5.960 11.239 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -9.467 7.525 10.394 1.00 0.00 H new ATOM 86 N LEU A 106 -5.408 9.128 13.088 1.00 0.00 N ATOM 87 CA LEU A 106 -4.829 9.538 14.362 1.00 0.00 C ATOM 88 C LEU A 106 -5.108 11.008 14.646 1.00 0.00 C ATOM 89 O LEU A 106 -5.225 11.416 15.802 1.00 0.00 O ATOM 90 CB LEU A 106 -3.318 9.270 14.368 1.00 0.00 C ATOM 91 CG LEU A 106 -2.917 7.792 14.284 1.00 0.00 C ATOM 92 CD1 LEU A 106 -1.407 7.670 14.126 1.00 0.00 C ATOM 93 CD2 LEU A 106 -3.389 7.066 15.535 1.00 0.00 C ATOM 0 H LEU A 106 -4.727 8.983 12.343 1.00 0.00 H new ATOM 0 HA LEU A 106 -5.296 8.949 15.152 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -2.868 9.800 13.529 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -2.893 9.694 15.278 1.00 0.00 H new ATOM 0 HG LEU A 106 -3.389 7.335 13.414 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -1.131 6.617 14.067 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -1.094 8.179 13.214 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -0.913 8.127 14.984 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -3.104 6.016 15.475 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -2.928 7.518 16.413 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -4.473 7.144 15.614 1.00 0.00 H new ATOM 105 N GLN A 107 -5.213 11.802 13.584 1.00 0.00 N ATOM 106 CA GLN A 107 -5.596 13.202 13.710 1.00 0.00 C ATOM 107 C GLN A 107 -7.028 13.340 14.210 1.00 0.00 C ATOM 108 O GLN A 107 -7.320 14.172 15.068 1.00 0.00 O ATOM 109 CB GLN A 107 -5.448 13.921 12.366 1.00 0.00 C ATOM 110 CG GLN A 107 -5.772 15.404 12.415 1.00 0.00 C ATOM 111 CD GLN A 107 -5.562 16.086 11.077 1.00 0.00 C ATOM 112 OE1 GLN A 107 -5.226 15.440 10.080 1.00 0.00 O ATOM 113 NE2 GLN A 107 -5.757 17.400 11.045 1.00 0.00 N ATOM 0 H GLN A 107 -5.038 11.498 12.626 1.00 0.00 H new ATOM 0 HA GLN A 107 -4.930 13.662 14.440 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -4.425 13.795 12.010 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -6.101 13.442 11.636 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -6.807 15.537 12.729 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -5.147 15.885 13.167 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -6.034 17.895 11.892 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -5.629 17.913 10.173 1.00 0.00 H new ATOM 122 N GLU A 108 -7.920 12.515 13.669 1.00 0.00 N ATOM 123 CA GLU A 108 -9.309 12.493 14.111 1.00 0.00 C ATOM 124 C GLU A 108 -9.414 12.100 15.579 1.00 0.00 C ATOM 125 O GLU A 108 -10.232 12.646 16.320 1.00 0.00 O ATOM 126 CB GLU A 108 -10.130 11.531 13.249 1.00 0.00 C ATOM 127 CG GLU A 108 -10.399 12.028 11.835 1.00 0.00 C ATOM 128 CD GLU A 108 -11.089 10.977 11.009 1.00 0.00 C ATOM 129 OE1 GLU A 108 -11.284 9.893 11.505 1.00 0.00 O ATOM 130 OE2 GLU A 108 -11.522 11.291 9.926 1.00 0.00 O ATOM 0 H GLU A 108 -7.705 11.853 12.924 1.00 0.00 H new ATOM 0 HA GLU A 108 -9.711 13.500 13.999 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -9.607 10.576 13.192 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -11.083 11.343 13.743 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -11.016 12.926 11.874 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -9.458 12.307 11.360 1.00 0.00 H new ATOM 137 N TYR A 109 -8.583 11.150 15.992 1.00 0.00 N ATOM 138 CA TYR A 109 -8.483 10.778 17.399 1.00 0.00 C ATOM 139 C TYR A 109 -8.049 11.962 18.252 1.00 0.00 C ATOM 140 O TYR A 109 -8.655 12.253 19.284 1.00 0.00 O ATOM 141 CB TYR A 109 -7.506 9.615 17.577 1.00 0.00 C ATOM 142 CG TYR A 109 -7.139 9.337 19.019 1.00 0.00 C ATOM 143 CD1 TYR A 109 -7.995 8.627 19.848 1.00 0.00 C ATOM 144 CD2 TYR A 109 -5.937 9.786 19.546 1.00 0.00 C ATOM 145 CE1 TYR A 109 -7.666 8.371 21.164 1.00 0.00 C ATOM 146 CE2 TYR A 109 -5.596 9.535 20.860 1.00 0.00 C ATOM 147 CZ TYR A 109 -6.464 8.827 21.667 1.00 0.00 C ATOM 148 OH TYR A 109 -6.130 8.575 22.978 1.00 0.00 O ATOM 0 H TYR A 109 -7.968 10.623 15.372 1.00 0.00 H new ATOM 0 HA TYR A 109 -9.472 10.463 17.732 1.00 0.00 H new ATOM 0 HB2 TYR A 109 -7.944 8.716 17.144 1.00 0.00 H new ATOM 0 HB3 TYR A 109 -6.596 9.828 17.016 1.00 0.00 H new ATOM 0 HD1 TYR A 109 -8.936 8.268 19.457 1.00 0.00 H new ATOM 0 HD2 TYR A 109 -5.256 10.341 18.918 1.00 0.00 H new ATOM 0 HE1 TYR A 109 -8.345 7.817 21.796 1.00 0.00 H new ATOM 0 HE2 TYR A 109 -4.656 9.890 21.254 1.00 0.00 H new ATOM 0 HH TYR A 109 -5.251 8.963 23.172 1.00 0.00 H new ATOM 158 N ALA A 110 -6.994 12.643 17.816 1.00 0.00 N ATOM 159 CA ALA A 110 -6.494 13.816 18.524 1.00 0.00 C ATOM 160 C ALA A 110 -7.588 14.860 18.701 1.00 0.00 C ATOM 161 O ALA A 110 -7.725 15.454 19.772 1.00 0.00 O ATOM 162 CB ALA A 110 -5.304 14.411 17.789 1.00 0.00 C ATOM 0 H ALA A 110 -6.469 12.403 16.975 1.00 0.00 H new ATOM 0 HA ALA A 110 -6.170 13.499 19.515 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -4.942 15.286 18.330 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -4.508 13.669 17.725 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -5.607 14.706 16.784 1.00 0.00 H new ATOM 168 N GLN A 111 -8.362 15.083 17.646 1.00 0.00 N ATOM 169 CA GLN A 111 -9.473 16.027 17.696 1.00 0.00 C ATOM 170 C GLN A 111 -10.495 15.621 18.749 1.00 0.00 C ATOM 171 O GLN A 111 -10.990 16.458 19.503 1.00 0.00 O ATOM 172 CB GLN A 111 -10.152 16.128 16.327 1.00 0.00 C ATOM 173 CG GLN A 111 -9.337 16.865 15.280 1.00 0.00 C ATOM 174 CD GLN A 111 -9.972 16.804 13.904 1.00 0.00 C ATOM 175 OE1 GLN A 111 -10.992 16.139 13.704 1.00 0.00 O ATOM 176 NE2 GLN A 111 -9.369 17.495 12.944 1.00 0.00 N ATOM 0 H GLN A 111 -8.241 14.623 16.744 1.00 0.00 H new ATOM 0 HA GLN A 111 -9.067 17.001 17.968 1.00 0.00 H new ATOM 0 HB2 GLN A 111 -10.364 15.122 15.964 1.00 0.00 H new ATOM 0 HB3 GLN A 111 -11.111 16.633 16.446 1.00 0.00 H new ATOM 0 HG2 GLN A 111 -9.224 17.907 15.579 1.00 0.00 H new ATOM 0 HG3 GLN A 111 -8.336 16.436 15.234 1.00 0.00 H new ATOM 0 HE21 GLN A 111 -8.527 18.032 13.154 1.00 0.00 H new ATOM 0 HE22 GLN A 111 -9.748 17.489 11.997 1.00 0.00 H new ATOM 185 N LYS A 112 -10.807 14.329 18.796 1.00 0.00 N ATOM 186 CA LYS A 112 -11.762 13.807 19.767 1.00 0.00 C ATOM 187 C LYS A 112 -11.252 13.984 21.191 1.00 0.00 C ATOM 188 O LYS A 112 -12.036 14.145 22.126 1.00 0.00 O ATOM 189 CB LYS A 112 -12.050 12.331 19.492 1.00 0.00 C ATOM 190 CG LYS A 112 -12.866 12.073 18.231 1.00 0.00 C ATOM 191 CD LYS A 112 -13.076 10.583 18.003 1.00 0.00 C ATOM 192 CE LYS A 112 -13.877 10.325 16.735 1.00 0.00 C ATOM 193 NZ LYS A 112 -14.071 8.870 16.487 1.00 0.00 N ATOM 0 H LYS A 112 -10.412 13.625 18.173 1.00 0.00 H new ATOM 0 HA LYS A 112 -12.687 14.374 19.664 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -11.103 11.797 19.413 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -12.582 11.912 20.346 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -13.833 12.570 18.313 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -12.356 12.506 17.370 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -12.110 10.084 17.933 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -13.596 10.152 18.858 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -14.849 10.812 16.814 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -13.364 10.773 15.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -14.621 8.737 15.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -13.144 8.408 16.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -14.583 8.447 17.287 1.00 0.00 H new ATOM 207 N MET A 113 -9.933 13.956 21.350 1.00 0.00 N ATOM 208 CA MET A 113 -9.317 14.064 22.666 1.00 0.00 C ATOM 209 C MET A 113 -8.942 15.507 22.982 1.00 0.00 C ATOM 210 O MET A 113 -8.338 15.789 24.017 1.00 0.00 O ATOM 211 CB MET A 113 -8.083 13.167 22.748 1.00 0.00 C ATOM 212 CG MET A 113 -8.372 11.683 22.570 1.00 0.00 C ATOM 213 SD MET A 113 -9.432 11.020 23.871 1.00 0.00 S ATOM 214 CE MET A 113 -8.315 11.058 25.270 1.00 0.00 C ATOM 0 H MET A 113 -9.269 13.859 20.581 1.00 0.00 H new ATOM 0 HA MET A 113 -10.045 13.734 23.407 1.00 0.00 H new ATOM 0 HB2 MET A 113 -7.370 13.480 21.985 1.00 0.00 H new ATOM 0 HB3 MET A 113 -7.603 13.318 23.715 1.00 0.00 H new ATOM 0 HG2 MET A 113 -8.848 11.523 21.602 1.00 0.00 H new ATOM 0 HG3 MET A 113 -7.431 11.133 22.558 1.00 0.00 H new ATOM 0 HE1 MET A 113 -8.728 10.458 26.081 1.00 0.00 H new ATOM 0 HE2 MET A 113 -7.348 10.652 24.974 1.00 0.00 H new ATOM 0 HE3 MET A 113 -8.189 12.087 25.607 1.00 0.00 H new ATOM 224 N ASN A 114 -9.304 16.418 22.084 1.00 0.00 N ATOM 225 CA ASN A 114 -8.975 17.828 22.248 1.00 0.00 C ATOM 226 C ASN A 114 -7.475 18.028 22.421 1.00 0.00 C ATOM 227 O ASN A 114 -7.038 18.869 23.207 1.00 0.00 O ATOM 228 CB ASN A 114 -9.724 18.439 23.419 1.00 0.00 C ATOM 229 CG ASN A 114 -11.211 18.522 23.209 1.00 0.00 C ATOM 230 OD1 ASN A 114 -11.695 18.612 22.075 1.00 0.00 O ATOM 231 ND2 ASN A 114 -11.933 18.573 24.300 1.00 0.00 N ATOM 0 H ASN A 114 -9.826 16.204 21.234 1.00 0.00 H new ATOM 0 HA ASN A 114 -9.288 18.339 21.338 1.00 0.00 H new ATOM 0 HB2 ASN A 114 -9.525 17.849 24.314 1.00 0.00 H new ATOM 0 HB3 ASN A 114 -9.336 19.440 23.604 1.00 0.00 H new ATOM 0 HD21 ASN A 114 -12.944 18.692 24.237 1.00 0.00 H new ATOM 0 HD22 ASN A 114 -11.484 18.494 25.213 1.00 0.00 H new ATOM 238 N TYR A 115 -6.691 17.251 21.682 1.00 0.00 N ATOM 239 CA TYR A 115 -5.238 17.368 21.724 1.00 0.00 C ATOM 240 C TYR A 115 -4.687 17.869 20.396 1.00 0.00 C ATOM 241 O TYR A 115 -5.385 17.862 19.381 1.00 0.00 O ATOM 242 CB TYR A 115 -4.604 16.022 22.082 1.00 0.00 C ATOM 243 CG TYR A 115 -4.900 15.561 23.493 1.00 0.00 C ATOM 244 CD1 TYR A 115 -5.139 16.476 24.506 1.00 0.00 C ATOM 245 CD2 TYR A 115 -4.942 14.210 23.804 1.00 0.00 C ATOM 246 CE1 TYR A 115 -5.409 16.060 25.796 1.00 0.00 C ATOM 247 CE2 TYR A 115 -5.212 13.782 25.089 1.00 0.00 C ATOM 248 CZ TYR A 115 -5.445 14.710 26.083 1.00 0.00 C ATOM 249 OH TYR A 115 -5.716 14.290 27.365 1.00 0.00 O ATOM 0 H TYR A 115 -7.038 16.533 21.046 1.00 0.00 H new ATOM 0 HA TYR A 115 -4.984 18.096 22.494 1.00 0.00 H new ATOM 0 HB2 TYR A 115 -4.959 15.266 21.381 1.00 0.00 H new ATOM 0 HB3 TYR A 115 -3.524 16.094 21.953 1.00 0.00 H new ATOM 0 HD1 TYR A 115 -5.114 17.533 24.284 1.00 0.00 H new ATOM 0 HD2 TYR A 115 -4.761 13.481 23.028 1.00 0.00 H new ATOM 0 HE1 TYR A 115 -5.591 16.786 26.574 1.00 0.00 H new ATOM 0 HE2 TYR A 115 -5.241 12.726 25.315 1.00 0.00 H new ATOM 0 HH TYR A 115 -5.705 13.311 27.398 1.00 0.00 H new ATOM 259 N ALA A 116 -3.431 18.301 20.406 1.00 0.00 N ATOM 260 CA ALA A 116 -2.768 18.763 19.193 1.00 0.00 C ATOM 261 C ALA A 116 -2.596 17.627 18.193 1.00 0.00 C ATOM 262 O ALA A 116 -2.556 16.456 18.570 1.00 0.00 O ATOM 263 CB ALA A 116 -1.421 19.386 19.529 1.00 0.00 C ATOM 0 H ALA A 116 -2.850 18.341 21.244 1.00 0.00 H new ATOM 0 HA ALA A 116 -3.400 19.522 18.732 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -0.939 19.726 18.613 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -1.569 20.234 20.197 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -0.789 18.645 20.018 1.00 0.00 H new ATOM 269 N ILE A 117 -2.493 17.981 16.917 1.00 0.00 N ATOM 270 CA ILE A 117 -2.335 16.991 15.858 1.00 0.00 C ATOM 271 C ILE A 117 -1.085 16.148 16.073 1.00 0.00 C ATOM 272 O ILE A 117 -0.065 16.645 16.556 1.00 0.00 O ATOM 273 CB ILE A 117 -2.262 17.654 14.471 1.00 0.00 C ATOM 274 CG1 ILE A 117 -1.087 18.633 14.408 1.00 0.00 C ATOM 275 CG2 ILE A 117 -3.569 18.364 14.151 1.00 0.00 C ATOM 276 CD1 ILE A 117 -0.814 19.173 13.022 1.00 0.00 C ATOM 0 H ILE A 117 -2.516 18.947 16.591 1.00 0.00 H new ATOM 0 HA ILE A 117 -3.214 16.348 15.897 1.00 0.00 H new ATOM 0 HB ILE A 117 -2.102 16.877 13.724 1.00 0.00 H new ATOM 0 HG12 ILE A 117 -1.286 19.468 15.080 1.00 0.00 H new ATOM 0 HG13 ILE A 117 -0.191 18.134 14.776 1.00 0.00 H new ATOM 0 HG21 ILE A 117 -3.500 18.827 13.167 1.00 0.00 H new ATOM 0 HG22 ILE A 117 -4.386 17.642 14.156 1.00 0.00 H new ATOM 0 HG23 ILE A 117 -3.759 19.132 14.901 1.00 0.00 H new ATOM 0 HD11 ILE A 117 0.032 19.859 13.059 1.00 0.00 H new ATOM 0 HD12 ILE A 117 -0.583 18.347 12.349 1.00 0.00 H new ATOM 0 HD13 ILE A 117 -1.695 19.702 12.658 1.00 0.00 H new ATOM 288 N PRO A 118 -1.167 14.872 15.715 1.00 0.00 N ATOM 289 CA PRO A 118 -0.045 13.955 15.877 1.00 0.00 C ATOM 290 C PRO A 118 1.225 14.525 15.259 1.00 0.00 C ATOM 291 O PRO A 118 1.231 14.939 14.101 1.00 0.00 O ATOM 292 CB PRO A 118 -0.505 12.669 15.172 1.00 0.00 C ATOM 293 CG PRO A 118 -2.006 12.690 15.267 1.00 0.00 C ATOM 294 CD PRO A 118 -2.244 14.292 14.902 1.00 0.00 C ATOM 0 HA PRO A 118 0.207 13.777 16.922 1.00 0.00 H new ATOM 0 HB2 PRO A 118 -0.175 12.649 14.133 1.00 0.00 H new ATOM 0 HB3 PRO A 118 -0.091 11.784 15.655 1.00 0.00 H new ATOM 0 HG2 PRO A 118 -2.486 12.017 14.556 1.00 0.00 H new ATOM 0 HG3 PRO A 118 -2.372 12.421 16.258 1.00 0.00 H new ATOM 0 HD2 PRO A 118 -2.130 14.504 13.839 1.00 0.00 H new ATOM 0 HD3 PRO A 118 -3.232 14.649 15.194 1.00 0.00 H new ATOM 302 N LEU A 119 2.301 14.545 16.040 1.00 0.00 N ATOM 303 CA LEU A 119 3.578 15.071 15.574 1.00 0.00 C ATOM 304 C LEU A 119 4.477 13.956 15.057 1.00 0.00 C ATOM 305 O LEU A 119 4.908 13.090 15.819 1.00 0.00 O ATOM 306 CB LEU A 119 4.277 15.842 16.700 1.00 0.00 C ATOM 307 CG LEU A 119 3.481 17.021 17.275 1.00 0.00 C ATOM 308 CD1 LEU A 119 4.260 17.673 18.410 1.00 0.00 C ATOM 309 CD2 LEU A 119 3.194 18.027 16.171 1.00 0.00 C ATOM 0 H LEU A 119 2.313 14.202 17.001 1.00 0.00 H new ATOM 0 HA LEU A 119 3.381 15.754 14.747 1.00 0.00 H new ATOM 0 HB2 LEU A 119 4.502 15.147 17.509 1.00 0.00 H new ATOM 0 HB3 LEU A 119 5.230 16.216 16.326 1.00 0.00 H new ATOM 0 HG LEU A 119 2.534 16.660 17.675 1.00 0.00 H new ATOM 0 HD11 LEU A 119 3.687 18.509 18.812 1.00 0.00 H new ATOM 0 HD12 LEU A 119 4.435 16.941 19.198 1.00 0.00 H new ATOM 0 HD13 LEU A 119 5.216 18.036 18.033 1.00 0.00 H new ATOM 0 HD21 LEU A 119 2.629 18.864 16.580 1.00 0.00 H new ATOM 0 HD22 LEU A 119 4.134 18.392 15.757 1.00 0.00 H new ATOM 0 HD23 LEU A 119 2.613 17.547 15.383 1.00 0.00 H new ATOM 321 N TYR A 120 4.757 13.983 13.759 1.00 0.00 N ATOM 322 CA TYR A 120 5.580 12.955 13.131 1.00 0.00 C ATOM 323 C TYR A 120 7.039 13.387 13.058 1.00 0.00 C ATOM 324 O TYR A 120 7.362 14.423 12.476 1.00 0.00 O ATOM 325 CB TYR A 120 5.058 12.632 11.730 1.00 0.00 C ATOM 326 CG TYR A 120 3.852 11.719 11.721 1.00 0.00 C ATOM 327 CD1 TYR A 120 2.587 12.205 12.020 1.00 0.00 C ATOM 328 CD2 TYR A 120 3.980 10.374 11.411 1.00 0.00 C ATOM 329 CE1 TYR A 120 1.482 11.376 12.014 1.00 0.00 C ATOM 330 CE2 TYR A 120 2.883 9.535 11.400 1.00 0.00 C ATOM 331 CZ TYR A 120 1.635 10.041 11.702 1.00 0.00 C ATOM 332 OH TYR A 120 0.538 9.209 11.694 1.00 0.00 O ATOM 0 H TYR A 120 4.426 14.706 13.120 1.00 0.00 H new ATOM 0 HA TYR A 120 5.520 12.058 13.747 1.00 0.00 H new ATOM 0 HB2 TYR A 120 4.800 13.563 11.225 1.00 0.00 H new ATOM 0 HB3 TYR A 120 5.858 12.167 11.153 1.00 0.00 H new ATOM 0 HD1 TYR A 120 2.464 13.250 12.262 1.00 0.00 H new ATOM 0 HD2 TYR A 120 4.955 9.975 11.174 1.00 0.00 H new ATOM 0 HE1 TYR A 120 0.505 11.770 12.252 1.00 0.00 H new ATOM 0 HE2 TYR A 120 3.001 8.489 11.157 1.00 0.00 H new ATOM 0 HH TYR A 120 0.818 8.301 11.453 1.00 0.00 H new ATOM 342 N GLN A 121 7.919 12.587 13.652 1.00 0.00 N ATOM 343 CA GLN A 121 9.354 12.826 13.562 1.00 0.00 C ATOM 344 C GLN A 121 10.087 11.590 13.053 1.00 0.00 C ATOM 345 O GLN A 121 9.726 10.462 13.387 1.00 0.00 O ATOM 346 CB GLN A 121 9.916 13.235 14.927 1.00 0.00 C ATOM 347 CG GLN A 121 9.369 14.550 15.455 1.00 0.00 C ATOM 348 CD GLN A 121 9.964 14.925 16.800 1.00 0.00 C ATOM 349 OE1 GLN A 121 10.776 14.185 17.363 1.00 0.00 O ATOM 350 NE2 GLN A 121 9.559 16.075 17.326 1.00 0.00 N ATOM 0 H GLN A 121 7.662 11.767 14.201 1.00 0.00 H new ATOM 0 HA GLN A 121 9.511 13.638 12.852 1.00 0.00 H new ATOM 0 HB2 GLN A 121 9.698 12.447 15.648 1.00 0.00 H new ATOM 0 HB3 GLN A 121 11.001 13.309 14.854 1.00 0.00 H new ATOM 0 HG2 GLN A 121 9.576 15.342 14.735 1.00 0.00 H new ATOM 0 HG3 GLN A 121 8.285 14.479 15.547 1.00 0.00 H new ATOM 0 HE21 GLN A 121 8.886 16.656 16.826 1.00 0.00 H new ATOM 0 HE22 GLN A 121 9.921 16.378 18.230 1.00 0.00 H new ATOM 359 N CYS A 122 11.118 11.812 12.246 1.00 0.00 N ATOM 360 CA CYS A 122 11.881 10.716 11.661 1.00 0.00 C ATOM 361 C CYS A 122 13.367 10.856 11.963 1.00 0.00 C ATOM 362 O CYS A 122 13.937 11.942 11.839 1.00 0.00 O ATOM 363 CB CYS A 122 11.619 10.883 10.164 1.00 0.00 C ATOM 364 SG CYS A 122 9.886 10.694 9.681 1.00 0.00 S ATOM 0 H CYS A 122 11.445 12.741 11.982 1.00 0.00 H new ATOM 0 HA CYS A 122 11.593 9.739 12.050 1.00 0.00 H new ATOM 0 HB2 CYS A 122 11.964 11.870 9.855 1.00 0.00 H new ATOM 0 HB3 CYS A 122 12.217 10.152 9.619 1.00 0.00 H new ATOM 0 HG CYS A 122 9.291 9.884 10.506 1.00 0.00 H new ATOM 370 N GLN A 123 13.993 9.754 12.363 1.00 0.00 N ATOM 371 CA GLN A 123 15.398 9.768 12.751 1.00 0.00 C ATOM 372 C GLN A 123 16.180 8.680 12.026 1.00 0.00 C ATOM 373 O GLN A 123 15.603 7.707 11.538 1.00 0.00 O ATOM 374 CB GLN A 123 15.538 9.582 14.264 1.00 0.00 C ATOM 375 CG GLN A 123 14.886 10.680 15.088 1.00 0.00 C ATOM 376 CD GLN A 123 15.066 10.468 16.579 1.00 0.00 C ATOM 377 OE1 GLN A 123 15.524 9.410 17.019 1.00 0.00 O ATOM 378 NE2 GLN A 123 14.699 11.473 17.368 1.00 0.00 N ATOM 0 H GLN A 123 13.548 8.838 12.427 1.00 0.00 H new ATOM 0 HA GLN A 123 15.810 10.737 12.469 1.00 0.00 H new ATOM 0 HB2 GLN A 123 15.099 8.624 14.543 1.00 0.00 H new ATOM 0 HB3 GLN A 123 16.597 9.533 14.517 1.00 0.00 H new ATOM 0 HG2 GLN A 123 15.312 11.643 14.807 1.00 0.00 H new ATOM 0 HG3 GLN A 123 13.822 10.722 14.856 1.00 0.00 H new ATOM 0 HE21 GLN A 123 14.325 12.330 16.961 1.00 0.00 H new ATOM 0 HE22 GLN A 123 14.791 11.387 18.380 1.00 0.00 H new ATOM 387 N LYS A 124 17.496 8.849 11.958 1.00 0.00 N ATOM 388 CA LYS A 124 18.370 7.836 11.378 1.00 0.00 C ATOM 389 C LYS A 124 19.719 7.804 12.085 1.00 0.00 C ATOM 390 O LYS A 124 20.205 8.828 12.565 1.00 0.00 O ATOM 391 CB LYS A 124 18.566 8.089 9.883 1.00 0.00 C ATOM 392 CG LYS A 124 19.286 9.390 9.555 1.00 0.00 C ATOM 393 CD LYS A 124 19.428 9.580 8.051 1.00 0.00 C ATOM 394 CE LYS A 124 20.185 10.858 7.723 1.00 0.00 C ATOM 395 NZ LYS A 124 20.348 11.046 6.256 1.00 0.00 N ATOM 0 H LYS A 124 17.981 9.679 12.298 1.00 0.00 H new ATOM 0 HA LYS A 124 17.891 6.866 11.512 1.00 0.00 H new ATOM 0 HB2 LYS A 124 19.129 7.259 9.457 1.00 0.00 H new ATOM 0 HB3 LYS A 124 17.590 8.095 9.397 1.00 0.00 H new ATOM 0 HG2 LYS A 124 18.736 10.230 9.979 1.00 0.00 H new ATOM 0 HG3 LYS A 124 20.273 9.389 10.018 1.00 0.00 H new ATOM 0 HD2 LYS A 124 19.951 8.725 7.622 1.00 0.00 H new ATOM 0 HD3 LYS A 124 18.440 9.612 7.592 1.00 0.00 H new ATOM 0 HE2 LYS A 124 19.653 11.712 8.141 1.00 0.00 H new ATOM 0 HE3 LYS A 124 21.166 10.830 8.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 20.869 11.928 6.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 20.878 10.243 5.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 19.412 11.098 5.807 1.00 0.00 H new ATOM 409 N VAL A 125 20.320 6.620 12.147 1.00 0.00 N ATOM 410 CA VAL A 125 21.606 6.447 12.813 1.00 0.00 C ATOM 411 C VAL A 125 22.555 5.607 11.970 1.00 0.00 C ATOM 412 O VAL A 125 22.128 4.890 11.066 1.00 0.00 O ATOM 413 CB VAL A 125 21.441 5.787 14.195 1.00 0.00 C ATOM 414 CG1 VAL A 125 20.618 6.677 15.116 1.00 0.00 C ATOM 415 CG2 VAL A 125 20.791 4.419 14.059 1.00 0.00 C ATOM 0 H VAL A 125 19.936 5.765 11.744 1.00 0.00 H new ATOM 0 HA VAL A 125 22.028 7.443 12.944 1.00 0.00 H new ATOM 0 HB VAL A 125 22.430 5.657 14.634 1.00 0.00 H new ATOM 0 HG11 VAL A 125 20.511 6.195 16.088 1.00 0.00 H new ATOM 0 HG12 VAL A 125 21.121 7.636 15.240 1.00 0.00 H new ATOM 0 HG13 VAL A 125 19.632 6.838 14.681 1.00 0.00 H new ATOM 0 HG21 VAL A 125 20.683 3.968 15.045 1.00 0.00 H new ATOM 0 HG22 VAL A 125 19.809 4.527 13.599 1.00 0.00 H new ATOM 0 HG23 VAL A 125 21.415 3.780 13.435 1.00 0.00 H new ATOM 425 N GLU A 126 23.846 5.700 12.272 1.00 0.00 N ATOM 426 CA GLU A 126 24.852 4.896 11.588 1.00 0.00 C ATOM 427 C GLU A 126 25.479 3.879 12.534 1.00 0.00 C ATOM 428 O GLU A 126 25.748 4.180 13.695 1.00 0.00 O ATOM 429 CB GLU A 126 25.936 5.793 10.986 1.00 0.00 C ATOM 430 CG GLU A 126 25.451 6.701 9.866 1.00 0.00 C ATOM 431 CD GLU A 126 26.582 7.498 9.280 1.00 0.00 C ATOM 432 OE1 GLU A 126 27.682 7.377 9.762 1.00 0.00 O ATOM 433 OE2 GLU A 126 26.373 8.143 8.278 1.00 0.00 O ATOM 0 H GLU A 126 24.220 6.325 12.986 1.00 0.00 H new ATOM 0 HA GLU A 126 24.356 4.353 10.784 1.00 0.00 H new ATOM 0 HB2 GLU A 126 26.362 6.409 11.778 1.00 0.00 H new ATOM 0 HB3 GLU A 126 26.740 5.164 10.605 1.00 0.00 H new ATOM 0 HG2 GLU A 126 24.984 6.101 9.085 1.00 0.00 H new ATOM 0 HG3 GLU A 126 24.687 7.377 10.249 1.00 0.00 H new ATOM 440 N THR A 127 25.711 2.673 12.025 1.00 0.00 N ATOM 441 CA THR A 127 26.292 1.603 12.828 1.00 0.00 C ATOM 442 C THR A 127 27.514 1.004 12.144 1.00 0.00 C ATOM 443 O THR A 127 27.796 1.299 10.984 1.00 0.00 O ATOM 444 CB THR A 127 25.270 0.484 13.104 1.00 0.00 C ATOM 445 OG1 THR A 127 24.899 -0.143 11.869 1.00 0.00 O ATOM 446 CG2 THR A 127 24.027 1.050 13.773 1.00 0.00 C ATOM 0 H THR A 127 25.506 2.412 11.060 1.00 0.00 H new ATOM 0 HA THR A 127 26.592 2.049 13.776 1.00 0.00 H new ATOM 0 HB THR A 127 25.727 -0.249 13.769 1.00 0.00 H new ATOM 0 HG1 THR A 127 24.250 -0.856 12.046 1.00 0.00 H new ATOM 0 HG21 THR A 127 23.316 0.245 13.960 1.00 0.00 H new ATOM 0 HG22 THR A 127 24.303 1.517 14.718 1.00 0.00 H new ATOM 0 HG23 THR A 127 23.569 1.794 13.121 1.00 0.00 H new ATOM 454 N LEU A 128 28.237 0.159 12.873 1.00 0.00 N ATOM 455 CA LEU A 128 29.425 -0.493 12.334 1.00 0.00 C ATOM 456 C LEU A 128 29.066 -1.433 11.191 1.00 0.00 C ATOM 457 O LEU A 128 29.894 -1.719 10.325 1.00 0.00 O ATOM 458 CB LEU A 128 30.159 -1.258 13.443 1.00 0.00 C ATOM 459 CG LEU A 128 30.794 -0.382 14.530 1.00 0.00 C ATOM 460 CD1 LEU A 128 31.366 -1.256 15.637 1.00 0.00 C ATOM 461 CD2 LEU A 128 31.882 0.486 13.911 1.00 0.00 C ATOM 0 H LEU A 128 28.021 -0.090 13.838 1.00 0.00 H new ATOM 0 HA LEU A 128 30.085 0.279 11.939 1.00 0.00 H new ATOM 0 HB2 LEU A 128 29.456 -1.944 13.916 1.00 0.00 H new ATOM 0 HB3 LEU A 128 30.940 -1.867 12.987 1.00 0.00 H new ATOM 0 HG LEU A 128 30.033 0.266 14.966 1.00 0.00 H new ATOM 0 HD11 LEU A 128 31.815 -0.625 16.404 1.00 0.00 H new ATOM 0 HD12 LEU A 128 30.568 -1.852 16.079 1.00 0.00 H new ATOM 0 HD13 LEU A 128 32.126 -1.918 15.222 1.00 0.00 H new ATOM 0 HD21 LEU A 128 32.334 1.109 14.683 1.00 0.00 H new ATOM 0 HD22 LEU A 128 32.646 -0.151 13.466 1.00 0.00 H new ATOM 0 HD23 LEU A 128 31.446 1.122 13.141 1.00 0.00 H new ATOM 473 N GLY A 129 27.826 -1.912 11.191 1.00 0.00 N ATOM 474 CA GLY A 129 27.340 -2.782 10.128 1.00 0.00 C ATOM 475 C GLY A 129 27.157 -2.012 8.827 1.00 0.00 C ATOM 476 O GLY A 129 27.020 -2.606 7.757 1.00 0.00 O ATOM 0 H GLY A 129 27.139 -1.711 11.917 1.00 0.00 H new ATOM 0 HA2 GLY A 129 28.044 -3.600 9.974 1.00 0.00 H new ATOM 0 HA3 GLY A 129 26.392 -3.229 10.426 1.00 0.00 H new ATOM 480 N ARG A 130 27.153 -0.687 8.924 1.00 0.00 N ATOM 481 CA ARG A 130 26.986 0.166 7.754 1.00 0.00 C ATOM 482 C ARG A 130 25.697 -0.162 7.012 1.00 0.00 C ATOM 483 O ARG A 130 25.640 -0.088 5.785 1.00 0.00 O ATOM 484 CB ARG A 130 28.191 0.113 6.828 1.00 0.00 C ATOM 485 CG ARG A 130 29.493 0.603 7.443 1.00 0.00 C ATOM 486 CD ARG A 130 30.666 0.527 6.535 1.00 0.00 C ATOM 487 NE ARG A 130 31.942 0.813 7.173 1.00 0.00 N ATOM 488 CZ ARG A 130 33.136 0.753 6.554 1.00 0.00 C ATOM 489 NH1 ARG A 130 33.230 0.384 5.296 1.00 0.00 N ATOM 490 NH2 ARG A 130 34.217 1.054 7.253 1.00 0.00 N ATOM 0 H ARG A 130 27.264 -0.180 9.802 1.00 0.00 H new ATOM 0 HA ARG A 130 26.911 1.192 8.114 1.00 0.00 H new ATOM 0 HB2 ARG A 130 28.329 -0.915 6.493 1.00 0.00 H new ATOM 0 HB3 ARG A 130 27.977 0.711 5.942 1.00 0.00 H new ATOM 0 HG2 ARG A 130 29.363 1.637 7.764 1.00 0.00 H new ATOM 0 HG3 ARG A 130 29.702 0.016 8.337 1.00 0.00 H new ATOM 0 HD2 ARG A 130 30.708 -0.471 6.099 1.00 0.00 H new ATOM 0 HD3 ARG A 130 30.520 1.228 5.713 1.00 0.00 H new ATOM 0 HE ARG A 130 31.931 1.077 8.158 1.00 0.00 H new ATOM 0 HH11 ARG A 130 32.390 0.137 4.773 1.00 0.00 H new ATOM 0 HH12 ARG A 130 34.143 0.344 4.843 1.00 0.00 H new ATOM 0 HH21 ARG A 130 34.132 1.322 8.233 1.00 0.00 H new ATOM 0 HH22 ARG A 130 35.136 1.018 6.812 1.00 0.00 H new ATOM 504 N VAL A 131 24.664 -0.527 7.763 1.00 0.00 N ATOM 505 CA VAL A 131 23.364 -0.839 7.180 1.00 0.00 C ATOM 506 C VAL A 131 22.395 0.325 7.344 1.00 0.00 C ATOM 507 O VAL A 131 22.022 0.682 8.461 1.00 0.00 O ATOM 508 CB VAL A 131 22.749 -2.101 7.813 1.00 0.00 C ATOM 509 CG1 VAL A 131 21.379 -2.382 7.215 1.00 0.00 C ATOM 510 CG2 VAL A 131 23.668 -3.297 7.619 1.00 0.00 C ATOM 0 H VAL A 131 24.702 -0.614 8.779 1.00 0.00 H new ATOM 0 HA VAL A 131 23.531 -1.022 6.118 1.00 0.00 H new ATOM 0 HB VAL A 131 22.631 -1.927 8.882 1.00 0.00 H new ATOM 0 HG11 VAL A 131 20.959 -3.277 7.673 1.00 0.00 H new ATOM 0 HG12 VAL A 131 20.720 -1.535 7.402 1.00 0.00 H new ATOM 0 HG13 VAL A 131 21.476 -2.536 6.140 1.00 0.00 H new ATOM 0 HG21 VAL A 131 23.217 -4.180 8.073 1.00 0.00 H new ATOM 0 HG22 VAL A 131 23.817 -3.472 6.554 1.00 0.00 H new ATOM 0 HG23 VAL A 131 24.630 -3.097 8.092 1.00 0.00 H new ATOM 520 N THR A 132 21.986 0.909 6.222 1.00 0.00 N ATOM 521 CA THR A 132 21.057 2.033 6.239 1.00 0.00 C ATOM 522 C THR A 132 19.718 1.633 6.845 1.00 0.00 C ATOM 523 O THR A 132 19.086 0.676 6.399 1.00 0.00 O ATOM 524 CB THR A 132 20.823 2.593 4.824 1.00 0.00 C ATOM 525 OG1 THR A 132 22.075 2.989 4.250 1.00 0.00 O ATOM 526 CG2 THR A 132 19.889 3.793 4.874 1.00 0.00 C ATOM 0 H THR A 132 22.284 0.622 5.289 1.00 0.00 H new ATOM 0 HA THR A 132 21.513 2.808 6.855 1.00 0.00 H new ATOM 0 HB THR A 132 20.366 1.815 4.212 1.00 0.00 H new ATOM 0 HG1 THR A 132 21.924 3.343 3.349 1.00 0.00 H new ATOM 0 HG21 THR A 132 19.735 4.176 3.865 1.00 0.00 H new ATOM 0 HG22 THR A 132 18.931 3.491 5.298 1.00 0.00 H new ATOM 0 HG23 THR A 132 20.331 4.573 5.494 1.00 0.00 H new ATOM 534 N GLN A 133 19.292 2.371 7.863 1.00 0.00 N ATOM 535 CA GLN A 133 18.027 2.094 8.534 1.00 0.00 C ATOM 536 C GLN A 133 17.403 3.371 9.081 1.00 0.00 C ATOM 537 O GLN A 133 18.104 4.334 9.390 1.00 0.00 O ATOM 538 CB GLN A 133 18.231 1.090 9.670 1.00 0.00 C ATOM 539 CG GLN A 133 19.113 1.597 10.798 1.00 0.00 C ATOM 540 CD GLN A 133 19.330 0.554 11.878 1.00 0.00 C ATOM 541 OE1 GLN A 133 18.864 -0.584 11.764 1.00 0.00 O ATOM 542 NE2 GLN A 133 20.034 0.936 12.937 1.00 0.00 N ATOM 0 H GLN A 133 19.805 3.167 8.243 1.00 0.00 H new ATOM 0 HA GLN A 133 17.348 1.666 7.796 1.00 0.00 H new ATOM 0 HB2 GLN A 133 17.258 0.818 10.079 1.00 0.00 H new ATOM 0 HB3 GLN A 133 18.670 0.180 9.261 1.00 0.00 H new ATOM 0 HG2 GLN A 133 20.078 1.901 10.392 1.00 0.00 H new ATOM 0 HG3 GLN A 133 18.659 2.484 11.240 1.00 0.00 H new ATOM 0 HE21 GLN A 133 20.401 1.886 12.990 1.00 0.00 H new ATOM 0 HE22 GLN A 133 20.208 0.279 13.698 1.00 0.00 H new ATOM 551 N PHE A 134 16.079 3.373 9.200 1.00 0.00 N ATOM 552 CA PHE A 134 15.351 4.555 9.645 1.00 0.00 C ATOM 553 C PHE A 134 14.382 4.214 10.769 1.00 0.00 C ATOM 554 O PHE A 134 13.866 3.099 10.842 1.00 0.00 O ATOM 555 CB PHE A 134 14.597 5.189 8.474 1.00 0.00 C ATOM 556 CG PHE A 134 15.486 5.625 7.345 1.00 0.00 C ATOM 557 CD1 PHE A 134 16.062 6.887 7.342 1.00 0.00 C ATOM 558 CD2 PHE A 134 15.750 4.773 6.282 1.00 0.00 C ATOM 559 CE1 PHE A 134 16.879 7.289 6.304 1.00 0.00 C ATOM 560 CE2 PHE A 134 16.568 5.172 5.243 1.00 0.00 C ATOM 561 CZ PHE A 134 17.133 6.430 5.253 1.00 0.00 C ATOM 0 H PHE A 134 15.488 2.568 8.994 1.00 0.00 H new ATOM 0 HA PHE A 134 16.078 5.271 10.029 1.00 0.00 H new ATOM 0 HB2 PHE A 134 13.867 4.474 8.094 1.00 0.00 H new ATOM 0 HB3 PHE A 134 14.038 6.051 8.838 1.00 0.00 H new ATOM 0 HD1 PHE A 134 15.869 7.563 8.162 1.00 0.00 H new ATOM 0 HD2 PHE A 134 15.311 3.786 6.267 1.00 0.00 H new ATOM 0 HE1 PHE A 134 17.319 8.275 6.314 1.00 0.00 H new ATOM 0 HE2 PHE A 134 16.765 4.498 4.422 1.00 0.00 H new ATOM 0 HZ PHE A 134 17.773 6.743 4.441 1.00 0.00 H new ATOM 571 N THR A 135 14.138 5.183 11.646 1.00 0.00 N ATOM 572 CA THR A 135 13.088 5.060 12.651 1.00 0.00 C ATOM 573 C THR A 135 12.164 6.272 12.631 1.00 0.00 C ATOM 574 O THR A 135 12.467 7.285 12.002 1.00 0.00 O ATOM 575 CB THR A 135 13.675 4.898 14.065 1.00 0.00 C ATOM 576 OG1 THR A 135 14.405 6.078 14.422 1.00 0.00 O ATOM 577 CG2 THR A 135 14.604 3.695 14.122 1.00 0.00 C ATOM 0 H THR A 135 14.654 6.062 11.681 1.00 0.00 H new ATOM 0 HA THR A 135 12.517 4.166 12.401 1.00 0.00 H new ATOM 0 HB THR A 135 12.855 4.745 14.766 1.00 0.00 H new ATOM 0 HG1 THR A 135 14.776 5.973 15.323 1.00 0.00 H new ATOM 0 HG21 THR A 135 15.010 3.596 15.129 1.00 0.00 H new ATOM 0 HG22 THR A 135 14.048 2.793 13.864 1.00 0.00 H new ATOM 0 HG23 THR A 135 15.421 3.832 13.414 1.00 0.00 H new ATOM 585 N CYS A 136 11.037 6.161 13.326 1.00 0.00 N ATOM 586 CA CYS A 136 10.069 7.248 13.394 1.00 0.00 C ATOM 587 C CYS A 136 9.296 7.217 14.706 1.00 0.00 C ATOM 588 O CYS A 136 8.965 6.147 15.217 1.00 0.00 O ATOM 589 CB CYS A 136 9.141 6.948 12.216 1.00 0.00 C ATOM 590 SG CYS A 136 7.839 8.176 11.957 1.00 0.00 S ATOM 0 H CYS A 136 10.772 5.328 13.851 1.00 0.00 H new ATOM 0 HA CYS A 136 10.530 8.235 13.348 1.00 0.00 H new ATOM 0 HB2 CYS A 136 9.739 6.874 11.308 1.00 0.00 H new ATOM 0 HB3 CYS A 136 8.678 5.974 12.373 1.00 0.00 H new ATOM 0 HG CYS A 136 8.217 9.319 12.448 1.00 0.00 H new ATOM 596 N THR A 137 9.012 8.397 15.249 1.00 0.00 N ATOM 597 CA THR A 137 8.220 8.508 16.467 1.00 0.00 C ATOM 598 C THR A 137 7.027 9.433 16.266 1.00 0.00 C ATOM 599 O THR A 137 7.169 10.546 15.760 1.00 0.00 O ATOM 600 CB THR A 137 9.066 9.028 17.645 1.00 0.00 C ATOM 601 OG1 THR A 137 10.173 8.145 17.868 1.00 0.00 O ATOM 602 CG2 THR A 137 8.226 9.113 18.910 1.00 0.00 C ATOM 0 H THR A 137 9.319 9.290 14.864 1.00 0.00 H new ATOM 0 HA THR A 137 7.863 7.505 16.702 1.00 0.00 H new ATOM 0 HB THR A 137 9.431 10.025 17.398 1.00 0.00 H new ATOM 0 HG1 THR A 137 10.711 8.478 18.616 1.00 0.00 H new ATOM 0 HG21 THR A 137 8.841 9.482 19.731 1.00 0.00 H new ATOM 0 HG22 THR A 137 7.391 9.794 18.747 1.00 0.00 H new ATOM 0 HG23 THR A 137 7.843 8.123 19.160 1.00 0.00 H new ATOM 610 N VAL A 138 5.848 8.966 16.666 1.00 0.00 N ATOM 611 CA VAL A 138 4.630 9.756 16.544 1.00 0.00 C ATOM 612 C VAL A 138 4.108 10.176 17.913 1.00 0.00 C ATOM 613 O VAL A 138 3.682 9.339 18.709 1.00 0.00 O ATOM 614 CB VAL A 138 3.526 8.982 15.801 1.00 0.00 C ATOM 615 CG1 VAL A 138 2.279 9.842 15.653 1.00 0.00 C ATOM 616 CG2 VAL A 138 4.021 8.526 14.437 1.00 0.00 C ATOM 0 H VAL A 138 5.712 8.043 17.078 1.00 0.00 H new ATOM 0 HA VAL A 138 4.888 10.644 15.968 1.00 0.00 H new ATOM 0 HB VAL A 138 3.270 8.100 16.388 1.00 0.00 H new ATOM 0 HG11 VAL A 138 1.509 9.279 15.126 1.00 0.00 H new ATOM 0 HG12 VAL A 138 1.911 10.123 16.640 1.00 0.00 H new ATOM 0 HG13 VAL A 138 2.522 10.741 15.087 1.00 0.00 H new ATOM 0 HG21 VAL A 138 3.228 7.981 13.926 1.00 0.00 H new ATOM 0 HG22 VAL A 138 4.304 9.395 13.844 1.00 0.00 H new ATOM 0 HG23 VAL A 138 4.886 7.875 14.563 1.00 0.00 H new ATOM 626 N GLU A 139 4.144 11.478 18.180 1.00 0.00 N ATOM 627 CA GLU A 139 3.696 12.009 19.461 1.00 0.00 C ATOM 628 C GLU A 139 2.229 12.414 19.405 1.00 0.00 C ATOM 629 O GLU A 139 1.854 13.328 18.670 1.00 0.00 O ATOM 630 CB GLU A 139 4.557 13.204 19.877 1.00 0.00 C ATOM 631 CG GLU A 139 4.187 13.807 21.224 1.00 0.00 C ATOM 632 CD GLU A 139 5.065 14.981 21.556 1.00 0.00 C ATOM 633 OE1 GLU A 139 5.902 15.319 20.754 1.00 0.00 O ATOM 634 OE2 GLU A 139 4.827 15.610 22.560 1.00 0.00 O ATOM 0 H GLU A 139 4.479 12.184 17.525 1.00 0.00 H new ATOM 0 HA GLU A 139 3.804 11.220 20.205 1.00 0.00 H new ATOM 0 HB2 GLU A 139 5.601 12.891 19.907 1.00 0.00 H new ATOM 0 HB3 GLU A 139 4.478 13.977 19.113 1.00 0.00 H new ATOM 0 HG2 GLU A 139 3.144 14.123 21.209 1.00 0.00 H new ATOM 0 HG3 GLU A 139 4.280 13.049 22.002 1.00 0.00 H new ATOM 641 N ILE A 140 1.401 11.732 20.189 1.00 0.00 N ATOM 642 CA ILE A 140 -0.029 12.014 20.223 1.00 0.00 C ATOM 643 C ILE A 140 -0.497 12.314 21.641 1.00 0.00 C ATOM 644 O ILE A 140 -0.456 11.448 22.515 1.00 0.00 O ATOM 645 CB ILE A 140 -0.851 10.840 19.659 1.00 0.00 C ATOM 646 CG1 ILE A 140 -0.456 10.564 18.206 1.00 0.00 C ATOM 647 CG2 ILE A 140 -2.339 11.133 19.763 1.00 0.00 C ATOM 648 CD1 ILE A 140 -1.085 9.315 17.629 1.00 0.00 C ATOM 0 H ILE A 140 1.696 10.979 20.810 1.00 0.00 H new ATOM 0 HA ILE A 140 -0.191 12.891 19.597 1.00 0.00 H new ATOM 0 HB ILE A 140 -0.636 9.950 20.250 1.00 0.00 H new ATOM 0 HG12 ILE A 140 -0.741 11.419 17.593 1.00 0.00 H new ATOM 0 HG13 ILE A 140 0.629 10.475 18.145 1.00 0.00 H new ATOM 0 HG21 ILE A 140 -2.904 10.293 19.360 1.00 0.00 H new ATOM 0 HG22 ILE A 140 -2.608 11.283 20.809 1.00 0.00 H new ATOM 0 HG23 ILE A 140 -2.573 12.034 19.195 1.00 0.00 H new ATOM 0 HD11 ILE A 140 -0.758 9.186 16.597 1.00 0.00 H new ATOM 0 HD12 ILE A 140 -0.780 8.449 18.217 1.00 0.00 H new ATOM 0 HD13 ILE A 140 -2.171 9.408 17.657 1.00 0.00 H new ATOM 660 N GLY A 141 -0.943 13.545 21.864 1.00 0.00 N ATOM 661 CA GLY A 141 -1.433 13.958 23.174 1.00 0.00 C ATOM 662 C GLY A 141 -0.299 14.026 24.189 1.00 0.00 C ATOM 663 O GLY A 141 -0.532 13.988 25.398 1.00 0.00 O ATOM 0 H GLY A 141 -0.975 14.276 21.153 1.00 0.00 H new ATOM 0 HA2 GLY A 141 -1.913 14.933 23.095 1.00 0.00 H new ATOM 0 HA3 GLY A 141 -2.192 13.256 23.519 1.00 0.00 H new ATOM 667 N GLY A 142 0.929 14.128 23.691 1.00 0.00 N ATOM 668 CA GLY A 142 2.104 14.174 24.554 1.00 0.00 C ATOM 669 C GLY A 142 2.739 12.797 24.694 1.00 0.00 C ATOM 670 O GLY A 142 3.864 12.667 25.175 1.00 0.00 O ATOM 0 H GLY A 142 1.136 14.180 22.694 1.00 0.00 H new ATOM 0 HA2 GLY A 142 2.833 14.873 24.144 1.00 0.00 H new ATOM 0 HA3 GLY A 142 1.821 14.549 25.538 1.00 0.00 H new ATOM 674 N ILE A 143 2.009 11.769 24.270 1.00 0.00 N ATOM 675 CA ILE A 143 2.482 10.395 24.388 1.00 0.00 C ATOM 676 C ILE A 143 3.175 9.939 23.110 1.00 0.00 C ATOM 677 O ILE A 143 2.567 9.909 22.040 1.00 0.00 O ATOM 678 CB ILE A 143 1.328 9.427 24.709 1.00 0.00 C ATOM 679 CG1 ILE A 143 0.641 9.831 26.015 1.00 0.00 C ATOM 680 CG2 ILE A 143 1.843 7.997 24.794 1.00 0.00 C ATOM 681 CD1 ILE A 143 -0.647 9.085 26.284 1.00 0.00 C ATOM 0 H ILE A 143 1.088 11.862 23.842 1.00 0.00 H new ATOM 0 HA ILE A 143 3.197 10.378 25.210 1.00 0.00 H new ATOM 0 HB ILE A 143 0.595 9.481 23.904 1.00 0.00 H new ATOM 0 HG12 ILE A 143 1.328 9.661 26.844 1.00 0.00 H new ATOM 0 HG13 ILE A 143 0.432 10.900 25.989 1.00 0.00 H new ATOM 0 HG21 ILE A 143 1.015 7.325 25.021 1.00 0.00 H new ATOM 0 HG22 ILE A 143 2.289 7.714 23.841 1.00 0.00 H new ATOM 0 HG23 ILE A 143 2.594 7.927 25.581 1.00 0.00 H new ATOM 0 HD11 ILE A 143 -1.075 9.426 27.227 1.00 0.00 H new ATOM 0 HD12 ILE A 143 -1.353 9.275 25.476 1.00 0.00 H new ATOM 0 HD13 ILE A 143 -0.443 8.016 26.344 1.00 0.00 H new ATOM 693 N LYS A 144 4.450 9.585 23.228 1.00 0.00 N ATOM 694 CA LYS A 144 5.256 9.225 22.068 1.00 0.00 C ATOM 695 C LYS A 144 5.109 7.747 21.732 1.00 0.00 C ATOM 696 O LYS A 144 5.330 6.883 22.580 1.00 0.00 O ATOM 697 CB LYS A 144 6.727 9.565 22.311 1.00 0.00 C ATOM 698 CG LYS A 144 7.024 11.057 22.384 1.00 0.00 C ATOM 699 CD LYS A 144 8.501 11.315 22.644 1.00 0.00 C ATOM 700 CE LYS A 144 8.803 12.805 22.690 1.00 0.00 C ATOM 701 NZ LYS A 144 10.244 13.074 22.951 1.00 0.00 N ATOM 0 H LYS A 144 4.948 9.540 24.117 1.00 0.00 H new ATOM 0 HA LYS A 144 4.895 9.805 21.219 1.00 0.00 H new ATOM 0 HB2 LYS A 144 7.046 9.097 23.242 1.00 0.00 H new ATOM 0 HB3 LYS A 144 7.325 9.126 21.512 1.00 0.00 H new ATOM 0 HG2 LYS A 144 6.728 11.535 21.450 1.00 0.00 H new ATOM 0 HG3 LYS A 144 6.429 11.510 23.177 1.00 0.00 H new ATOM 0 HD2 LYS A 144 8.792 10.854 23.588 1.00 0.00 H new ATOM 0 HD3 LYS A 144 9.097 10.845 21.862 1.00 0.00 H new ATOM 0 HE2 LYS A 144 8.514 13.263 21.744 1.00 0.00 H new ATOM 0 HE3 LYS A 144 8.200 13.273 23.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 144 10.407 14.101 22.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 144 10.514 12.660 23.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 144 10.819 12.650 22.195 1.00 0.00 H new ATOM 715 N TYR A 145 4.734 7.462 20.490 1.00 0.00 N ATOM 716 CA TYR A 145 4.642 6.088 20.013 1.00 0.00 C ATOM 717 C TYR A 145 5.691 5.802 18.948 1.00 0.00 C ATOM 718 O TYR A 145 5.632 6.342 17.843 1.00 0.00 O ATOM 719 CB TYR A 145 3.243 5.804 19.460 1.00 0.00 C ATOM 720 CG TYR A 145 2.132 6.009 20.467 1.00 0.00 C ATOM 721 CD1 TYR A 145 1.886 5.066 21.453 1.00 0.00 C ATOM 722 CD2 TYR A 145 1.334 7.142 20.428 1.00 0.00 C ATOM 723 CE1 TYR A 145 0.873 5.247 22.376 1.00 0.00 C ATOM 724 CE2 TYR A 145 0.319 7.334 21.345 1.00 0.00 C ATOM 725 CZ TYR A 145 0.091 6.382 22.318 1.00 0.00 C ATOM 726 OH TYR A 145 -0.919 6.566 23.234 1.00 0.00 O ATOM 0 H TYR A 145 4.488 8.166 19.794 1.00 0.00 H new ATOM 0 HA TYR A 145 4.829 5.430 20.861 1.00 0.00 H new ATOM 0 HB2 TYR A 145 3.065 6.450 18.601 1.00 0.00 H new ATOM 0 HB3 TYR A 145 3.208 4.776 19.099 1.00 0.00 H new ATOM 0 HD1 TYR A 145 2.496 4.176 21.501 1.00 0.00 H new ATOM 0 HD2 TYR A 145 1.509 7.888 19.667 1.00 0.00 H new ATOM 0 HE1 TYR A 145 0.695 4.504 23.139 1.00 0.00 H new ATOM 0 HE2 TYR A 145 -0.292 8.223 21.301 1.00 0.00 H new ATOM 0 HH TYR A 145 -1.373 7.416 23.054 1.00 0.00 H new ATOM 736 N THR A 146 6.654 4.949 19.286 1.00 0.00 N ATOM 737 CA THR A 146 7.771 4.662 18.395 1.00 0.00 C ATOM 738 C THR A 146 7.460 3.480 17.487 1.00 0.00 C ATOM 739 O THR A 146 6.704 2.583 17.856 1.00 0.00 O ATOM 740 CB THR A 146 9.061 4.367 19.182 1.00 0.00 C ATOM 741 OG1 THR A 146 8.874 3.197 19.989 1.00 0.00 O ATOM 742 CG2 THR A 146 9.422 5.543 20.076 1.00 0.00 C ATOM 0 H THR A 146 6.682 4.444 20.172 1.00 0.00 H new ATOM 0 HA THR A 146 7.925 5.553 17.787 1.00 0.00 H new ATOM 0 HB THR A 146 9.872 4.202 18.472 1.00 0.00 H new ATOM 0 HG1 THR A 146 9.696 3.009 20.488 1.00 0.00 H new ATOM 0 HG21 THR A 146 10.336 5.316 20.624 1.00 0.00 H new ATOM 0 HG22 THR A 146 9.577 6.431 19.464 1.00 0.00 H new ATOM 0 HG23 THR A 146 8.612 5.726 20.782 1.00 0.00 H new ATOM 750 N GLY A 147 8.052 3.483 16.295 1.00 0.00 N ATOM 751 CA GLY A 147 7.934 2.357 15.379 1.00 0.00 C ATOM 752 C GLY A 147 9.193 1.500 15.392 1.00 0.00 C ATOM 753 O GLY A 147 10.114 1.748 16.171 1.00 0.00 O ATOM 0 H GLY A 147 8.618 4.255 15.943 1.00 0.00 H new ATOM 0 HA2 GLY A 147 7.074 1.748 15.657 1.00 0.00 H new ATOM 0 HA3 GLY A 147 7.752 2.724 14.369 1.00 0.00 H new ATOM 757 N ALA A 148 9.227 0.492 14.529 1.00 0.00 N ATOM 758 CA ALA A 148 10.387 -0.384 14.418 1.00 0.00 C ATOM 759 C ALA A 148 11.384 0.147 13.396 1.00 0.00 C ATOM 760 O ALA A 148 10.998 0.753 12.396 1.00 0.00 O ATOM 761 CB ALA A 148 9.954 -1.796 14.056 1.00 0.00 C ATOM 0 H ALA A 148 8.463 0.261 13.894 1.00 0.00 H new ATOM 0 HA ALA A 148 10.883 -0.408 15.388 1.00 0.00 H new ATOM 0 HB1 ALA A 148 10.832 -2.437 13.977 1.00 0.00 H new ATOM 0 HB2 ALA A 148 9.291 -2.183 14.830 1.00 0.00 H new ATOM 0 HB3 ALA A 148 9.428 -1.782 13.101 1.00 0.00 H new ATOM 767 N ALA A 149 12.666 -0.086 13.651 1.00 0.00 N ATOM 768 CA ALA A 149 13.715 0.289 12.711 1.00 0.00 C ATOM 769 C ALA A 149 13.665 -0.574 11.456 1.00 0.00 C ATOM 770 O ALA A 149 13.706 -1.802 11.534 1.00 0.00 O ATOM 771 CB ALA A 149 15.082 0.188 13.372 1.00 0.00 C ATOM 0 H ALA A 149 13.004 -0.534 14.503 1.00 0.00 H new ATOM 0 HA ALA A 149 13.545 1.324 12.414 1.00 0.00 H new ATOM 0 HB1 ALA A 149 15.854 0.471 12.657 1.00 0.00 H new ATOM 0 HB2 ALA A 149 15.121 0.857 14.232 1.00 0.00 H new ATOM 0 HB3 ALA A 149 15.252 -0.837 13.702 1.00 0.00 H new ATOM 777 N THR A 150 13.575 0.075 10.301 1.00 0.00 N ATOM 778 CA THR A 150 13.490 -0.632 9.029 1.00 0.00 C ATOM 779 C THR A 150 14.461 -0.053 8.010 1.00 0.00 C ATOM 780 O THR A 150 14.975 1.052 8.186 1.00 0.00 O ATOM 781 CB THR A 150 12.065 -0.582 8.448 1.00 0.00 C ATOM 782 OG1 THR A 150 11.724 0.773 8.127 1.00 0.00 O ATOM 783 CG2 THR A 150 11.060 -1.129 9.452 1.00 0.00 C ATOM 0 H THR A 150 13.559 1.092 10.219 1.00 0.00 H new ATOM 0 HA THR A 150 13.755 -1.670 9.230 1.00 0.00 H new ATOM 0 HB THR A 150 12.035 -1.195 7.547 1.00 0.00 H new ATOM 0 HG1 THR A 150 11.911 0.942 7.180 1.00 0.00 H new ATOM 0 HG21 THR A 150 10.058 -1.086 9.024 1.00 0.00 H new ATOM 0 HG22 THR A 150 11.309 -2.163 9.689 1.00 0.00 H new ATOM 0 HG23 THR A 150 11.092 -0.530 10.362 1.00 0.00 H new ATOM 791 N ARG A 151 14.712 -0.805 6.943 1.00 0.00 N ATOM 792 CA ARG A 151 15.644 -0.379 5.906 1.00 0.00 C ATOM 793 C ARG A 151 15.045 0.730 5.050 1.00 0.00 C ATOM 794 O ARG A 151 15.770 1.524 4.450 1.00 0.00 O ATOM 795 CB ARG A 151 16.125 -1.543 5.053 1.00 0.00 C ATOM 796 CG ARG A 151 17.055 -2.515 5.763 1.00 0.00 C ATOM 797 CD ARG A 151 17.484 -3.669 4.932 1.00 0.00 C ATOM 798 NE ARG A 151 18.358 -4.610 5.613 1.00 0.00 N ATOM 799 CZ ARG A 151 18.724 -5.809 5.120 1.00 0.00 C ATOM 800 NH1 ARG A 151 18.268 -6.234 3.963 1.00 0.00 N ATOM 801 NH2 ARG A 151 19.538 -6.559 5.843 1.00 0.00 N ATOM 0 H ARG A 151 14.282 -1.714 6.774 1.00 0.00 H new ATOM 0 HA ARG A 151 16.522 0.025 6.410 1.00 0.00 H new ATOM 0 HB2 ARG A 151 15.256 -2.093 4.691 1.00 0.00 H new ATOM 0 HB3 ARG A 151 16.638 -1.145 4.177 1.00 0.00 H new ATOM 0 HG2 ARG A 151 17.940 -1.974 6.097 1.00 0.00 H new ATOM 0 HG3 ARG A 151 16.555 -2.891 6.656 1.00 0.00 H new ATOM 0 HD2 ARG A 151 16.598 -4.201 4.586 1.00 0.00 H new ATOM 0 HD3 ARG A 151 17.996 -3.293 4.046 1.00 0.00 H new ATOM 0 HE ARG A 151 18.720 -4.344 6.529 1.00 0.00 H new ATOM 0 HH11 ARG A 151 17.626 -5.653 3.423 1.00 0.00 H new ATOM 0 HH12 ARG A 151 18.556 -7.145 3.605 1.00 0.00 H new ATOM 0 HH21 ARG A 151 19.871 -6.225 6.747 1.00 0.00 H new ATOM 0 HH22 ARG A 151 19.833 -7.472 5.496 1.00 0.00 H new ATOM 815 N THR A 152 13.719 0.779 4.998 1.00 0.00 N ATOM 816 CA THR A 152 13.021 1.775 4.193 1.00 0.00 C ATOM 817 C THR A 152 12.291 2.783 5.071 1.00 0.00 C ATOM 818 O THR A 152 11.467 2.411 5.907 1.00 0.00 O ATOM 819 CB THR A 152 12.009 1.118 3.235 1.00 0.00 C ATOM 820 OG1 THR A 152 12.696 0.231 2.345 1.00 0.00 O ATOM 821 CG2 THR A 152 11.277 2.177 2.425 1.00 0.00 C ATOM 0 H THR A 152 13.105 0.140 5.504 1.00 0.00 H new ATOM 0 HA THR A 152 13.781 2.292 3.607 1.00 0.00 H new ATOM 0 HB THR A 152 11.282 0.560 3.825 1.00 0.00 H new ATOM 0 HG1 THR A 152 12.051 -0.187 1.738 1.00 0.00 H new ATOM 0 HG21 THR A 152 10.566 1.695 1.754 1.00 0.00 H new ATOM 0 HG22 THR A 152 10.743 2.846 3.099 1.00 0.00 H new ATOM 0 HG23 THR A 152 11.997 2.750 1.840 1.00 0.00 H new ATOM 829 N LYS A 153 12.601 4.061 4.881 1.00 0.00 N ATOM 830 CA LYS A 153 12.029 5.119 5.704 1.00 0.00 C ATOM 831 C LYS A 153 10.508 5.044 5.720 1.00 0.00 C ATOM 832 O LYS A 153 9.882 5.161 6.773 1.00 0.00 O ATOM 833 CB LYS A 153 12.483 6.491 5.203 1.00 0.00 C ATOM 834 CG LYS A 153 12.014 7.660 6.060 1.00 0.00 C ATOM 835 CD LYS A 153 12.562 8.981 5.540 1.00 0.00 C ATOM 836 CE LYS A 153 12.069 10.153 6.377 1.00 0.00 C ATOM 837 NZ LYS A 153 12.592 11.453 5.877 1.00 0.00 N ATOM 0 H LYS A 153 13.247 4.389 4.163 1.00 0.00 H new ATOM 0 HA LYS A 153 12.387 4.978 6.724 1.00 0.00 H new ATOM 0 HB2 LYS A 153 13.572 6.505 5.155 1.00 0.00 H new ATOM 0 HB3 LYS A 153 12.118 6.632 4.186 1.00 0.00 H new ATOM 0 HG2 LYS A 153 10.925 7.694 6.068 1.00 0.00 H new ATOM 0 HG3 LYS A 153 12.336 7.511 7.091 1.00 0.00 H new ATOM 0 HD2 LYS A 153 13.652 8.955 5.553 1.00 0.00 H new ATOM 0 HD3 LYS A 153 12.259 9.120 4.502 1.00 0.00 H new ATOM 0 HE2 LYS A 153 10.979 10.173 6.367 1.00 0.00 H new ATOM 0 HE3 LYS A 153 12.376 10.013 7.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 153 12.233 12.225 6.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 153 13.631 11.445 5.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 153 12.278 11.599 4.896 1.00 0.00 H new ATOM 851 N LYS A 154 9.918 4.846 4.546 1.00 0.00 N ATOM 852 CA LYS A 154 8.468 4.752 4.422 1.00 0.00 C ATOM 853 C LYS A 154 7.918 3.597 5.250 1.00 0.00 C ATOM 854 O LYS A 154 6.823 3.684 5.804 1.00 0.00 O ATOM 855 CB LYS A 154 8.065 4.586 2.956 1.00 0.00 C ATOM 856 CG LYS A 154 8.277 5.828 2.101 1.00 0.00 C ATOM 857 CD LYS A 154 7.858 5.585 0.660 1.00 0.00 C ATOM 858 CE LYS A 154 8.084 6.821 -0.199 1.00 0.00 C ATOM 859 NZ LYS A 154 7.706 6.588 -1.620 1.00 0.00 N ATOM 0 H LYS A 154 10.423 4.747 3.665 1.00 0.00 H new ATOM 0 HA LYS A 154 8.040 5.679 4.804 1.00 0.00 H new ATOM 0 HB2 LYS A 154 8.635 3.762 2.526 1.00 0.00 H new ATOM 0 HB3 LYS A 154 7.013 4.304 2.911 1.00 0.00 H new ATOM 0 HG2 LYS A 154 7.704 6.658 2.514 1.00 0.00 H new ATOM 0 HG3 LYS A 154 9.327 6.119 2.133 1.00 0.00 H new ATOM 0 HD2 LYS A 154 8.423 4.747 0.251 1.00 0.00 H new ATOM 0 HD3 LYS A 154 6.805 5.305 0.628 1.00 0.00 H new ATOM 0 HE2 LYS A 154 7.501 7.651 0.200 1.00 0.00 H new ATOM 0 HE3 LYS A 154 9.133 7.113 -0.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 154 7.875 7.454 -2.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 154 8.280 5.813 -2.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 154 6.699 6.335 -1.674 1.00 0.00 H new ATOM 873 N ASP A 155 8.686 2.516 5.332 1.00 0.00 N ATOM 874 CA ASP A 155 8.282 1.346 6.101 1.00 0.00 C ATOM 875 C ASP A 155 8.353 1.620 7.598 1.00 0.00 C ATOM 876 O ASP A 155 7.535 1.117 8.370 1.00 0.00 O ATOM 877 CB ASP A 155 9.157 0.142 5.746 1.00 0.00 C ATOM 878 CG ASP A 155 8.607 -1.198 6.221 1.00 0.00 C ATOM 879 OD1 ASP A 155 7.502 -1.525 5.860 1.00 0.00 O ATOM 880 OD2 ASP A 155 9.351 -1.948 6.806 1.00 0.00 O ATOM 0 H ASP A 155 9.593 2.426 4.874 1.00 0.00 H new ATOM 0 HA ASP A 155 7.247 1.120 5.844 1.00 0.00 H new ATOM 0 HB2 ASP A 155 9.283 0.106 4.664 1.00 0.00 H new ATOM 0 HB3 ASP A 155 10.147 0.288 6.177 1.00 0.00 H new ATOM 885 N ALA A 156 9.334 2.419 8.003 1.00 0.00 N ATOM 886 CA ALA A 156 9.437 2.864 9.388 1.00 0.00 C ATOM 887 C ALA A 156 8.302 3.814 9.747 1.00 0.00 C ATOM 888 O ALA A 156 7.790 3.789 10.865 1.00 0.00 O ATOM 889 CB ALA A 156 10.784 3.527 9.632 1.00 0.00 C ATOM 0 H ALA A 156 10.070 2.772 7.391 1.00 0.00 H new ATOM 0 HA ALA A 156 9.356 1.988 10.031 1.00 0.00 H new ATOM 0 HB1 ALA A 156 10.846 3.854 10.670 1.00 0.00 H new ATOM 0 HB2 ALA A 156 11.583 2.814 9.428 1.00 0.00 H new ATOM 0 HB3 ALA A 156 10.890 4.389 8.973 1.00 0.00 H new ATOM 895 N GLU A 157 7.914 4.652 8.791 1.00 0.00 N ATOM 896 CA GLU A 157 6.838 5.613 9.006 1.00 0.00 C ATOM 897 C GLU A 157 5.521 4.908 9.303 1.00 0.00 C ATOM 898 O GLU A 157 4.843 5.227 10.279 1.00 0.00 O ATOM 899 CB GLU A 157 6.684 6.524 7.785 1.00 0.00 C ATOM 900 CG GLU A 157 7.790 7.557 7.629 1.00 0.00 C ATOM 901 CD GLU A 157 7.681 8.278 6.313 1.00 0.00 C ATOM 902 OE1 GLU A 157 6.829 7.926 5.533 1.00 0.00 O ATOM 903 OE2 GLU A 157 8.375 9.252 6.133 1.00 0.00 O ATOM 0 H GLU A 157 8.329 4.685 7.860 1.00 0.00 H new ATOM 0 HA GLU A 157 7.101 6.221 9.872 1.00 0.00 H new ATOM 0 HB2 GLU A 157 6.651 5.906 6.888 1.00 0.00 H new ATOM 0 HB3 GLU A 157 5.727 7.041 7.851 1.00 0.00 H new ATOM 0 HG2 GLU A 157 7.737 8.276 8.446 1.00 0.00 H new ATOM 0 HG3 GLU A 157 8.761 7.067 7.699 1.00 0.00 H new ATOM 910 N ILE A 158 5.166 3.949 8.455 1.00 0.00 N ATOM 911 CA ILE A 158 3.938 3.183 8.637 1.00 0.00 C ATOM 912 C ILE A 158 4.027 2.282 9.862 1.00 0.00 C ATOM 913 O ILE A 158 3.009 1.928 10.459 1.00 0.00 O ATOM 914 CB ILE A 158 3.622 2.321 7.401 1.00 0.00 C ATOM 915 CG1 ILE A 158 2.246 1.665 7.545 1.00 0.00 C ATOM 916 CG2 ILE A 158 4.699 1.267 7.197 1.00 0.00 C ATOM 917 CD1 ILE A 158 1.134 2.642 7.852 1.00 0.00 C ATOM 0 H ILE A 158 5.711 3.683 7.635 1.00 0.00 H new ATOM 0 HA ILE A 158 3.135 3.906 8.779 1.00 0.00 H new ATOM 0 HB ILE A 158 3.605 2.967 6.523 1.00 0.00 H new ATOM 0 HG12 ILE A 158 2.008 1.136 6.622 1.00 0.00 H new ATOM 0 HG13 ILE A 158 2.291 0.919 8.338 1.00 0.00 H new ATOM 0 HG21 ILE A 158 4.459 0.667 6.319 1.00 0.00 H new ATOM 0 HG22 ILE A 158 5.663 1.755 7.051 1.00 0.00 H new ATOM 0 HG23 ILE A 158 4.748 0.622 8.075 1.00 0.00 H new ATOM 0 HD11 ILE A 158 0.190 2.103 7.940 1.00 0.00 H new ATOM 0 HD12 ILE A 158 1.348 3.154 8.790 1.00 0.00 H new ATOM 0 HD13 ILE A 158 1.061 3.374 7.048 1.00 0.00 H new ATOM 929 N SER A 159 5.248 1.915 10.234 1.00 0.00 N ATOM 930 CA SER A 159 5.480 1.139 11.447 1.00 0.00 C ATOM 931 C SER A 159 5.103 1.935 12.690 1.00 0.00 C ATOM 932 O SER A 159 4.390 1.441 13.562 1.00 0.00 O ATOM 933 CB SER A 159 6.930 0.702 11.517 1.00 0.00 C ATOM 934 OG SER A 159 7.158 -0.197 12.567 1.00 0.00 O ATOM 0 H SER A 159 6.094 2.143 9.712 1.00 0.00 H new ATOM 0 HA SER A 159 4.845 0.254 11.412 1.00 0.00 H new ATOM 0 HB2 SER A 159 7.214 0.236 10.573 1.00 0.00 H new ATOM 0 HB3 SER A 159 7.567 1.578 11.645 1.00 0.00 H new ATOM 0 HG SER A 159 7.495 -1.043 12.206 1.00 0.00 H new ATOM 940 N ALA A 160 5.589 3.169 12.765 1.00 0.00 N ATOM 941 CA ALA A 160 5.276 4.048 13.886 1.00 0.00 C ATOM 942 C ALA A 160 3.787 4.365 13.939 1.00 0.00 C ATOM 943 O ALA A 160 3.197 4.439 15.017 1.00 0.00 O ATOM 944 CB ALA A 160 6.090 5.329 13.798 1.00 0.00 C ATOM 0 H ALA A 160 6.202 3.584 12.063 1.00 0.00 H new ATOM 0 HA ALA A 160 5.540 3.527 14.806 1.00 0.00 H new ATOM 0 HB1 ALA A 160 5.845 5.974 14.642 1.00 0.00 H new ATOM 0 HB2 ALA A 160 7.153 5.087 13.823 1.00 0.00 H new ATOM 0 HB3 ALA A 160 5.857 5.845 12.867 1.00 0.00 H new ATOM 950 N GLY A 161 3.185 4.551 12.769 1.00 0.00 N ATOM 951 CA GLY A 161 1.758 4.836 12.679 1.00 0.00 C ATOM 952 C GLY A 161 0.927 3.654 13.158 1.00 0.00 C ATOM 953 O GLY A 161 -0.071 3.825 13.856 1.00 0.00 O ATOM 0 H GLY A 161 3.664 4.509 11.869 1.00 0.00 H new ATOM 0 HA2 GLY A 161 1.522 5.716 13.278 1.00 0.00 H new ATOM 0 HA3 GLY A 161 1.497 5.073 11.648 1.00 0.00 H new ATOM 957 N ARG A 162 1.347 2.451 12.778 1.00 0.00 N ATOM 958 CA ARG A 162 0.638 1.236 13.162 1.00 0.00 C ATOM 959 C ARG A 162 0.692 1.019 14.669 1.00 0.00 C ATOM 960 O ARG A 162 -0.316 0.693 15.296 1.00 0.00 O ATOM 961 CB ARG A 162 1.139 0.015 12.406 1.00 0.00 C ATOM 962 CG ARG A 162 0.691 -0.067 10.955 1.00 0.00 C ATOM 963 CD ARG A 162 1.275 -1.204 10.197 1.00 0.00 C ATOM 964 NE ARG A 162 0.914 -1.237 8.789 1.00 0.00 N ATOM 965 CZ ARG A 162 1.337 -2.170 7.913 1.00 0.00 C ATOM 966 NH1 ARG A 162 2.163 -3.123 8.284 1.00 0.00 N ATOM 967 NH2 ARG A 162 0.919 -2.087 6.662 1.00 0.00 N ATOM 0 H ARG A 162 2.175 2.292 12.204 1.00 0.00 H new ATOM 0 HA ARG A 162 -0.406 1.373 12.881 1.00 0.00 H new ATOM 0 HB2 ARG A 162 2.229 0.009 12.436 1.00 0.00 H new ATOM 0 HB3 ARG A 162 0.801 -0.881 12.927 1.00 0.00 H new ATOM 0 HG2 ARG A 162 -0.396 -0.147 10.927 1.00 0.00 H new ATOM 0 HG3 ARG A 162 0.955 0.863 10.452 1.00 0.00 H new ATOM 0 HD2 ARG A 162 2.361 -1.160 10.280 1.00 0.00 H new ATOM 0 HD3 ARG A 162 0.957 -2.137 10.663 1.00 0.00 H new ATOM 0 HE ARG A 162 0.298 -0.503 8.440 1.00 0.00 H new ATOM 0 HH11 ARG A 162 2.494 -3.164 9.248 1.00 0.00 H new ATOM 0 HH12 ARG A 162 2.473 -3.821 7.608 1.00 0.00 H new ATOM 0 HH21 ARG A 162 0.293 -1.331 6.382 1.00 0.00 H new ATOM 0 HH22 ARG A 162 1.222 -2.778 5.976 1.00 0.00 H new ATOM 981 N THR A 163 1.875 1.201 15.246 1.00 0.00 N ATOM 982 CA THR A 163 2.071 0.991 16.675 1.00 0.00 C ATOM 983 C THR A 163 1.353 2.057 17.493 1.00 0.00 C ATOM 984 O THR A 163 0.907 1.800 18.611 1.00 0.00 O ATOM 985 CB THR A 163 3.565 0.994 17.047 1.00 0.00 C ATOM 986 OG1 THR A 163 4.162 2.228 16.628 1.00 0.00 O ATOM 987 CG2 THR A 163 4.285 -0.166 16.376 1.00 0.00 C ATOM 0 H THR A 163 2.714 1.494 14.745 1.00 0.00 H new ATOM 0 HA THR A 163 1.649 0.013 16.908 1.00 0.00 H new ATOM 0 HB THR A 163 3.654 0.887 18.128 1.00 0.00 H new ATOM 0 HG1 THR A 163 5.027 2.341 17.074 1.00 0.00 H new ATOM 0 HG21 THR A 163 5.340 -0.147 16.651 1.00 0.00 H new ATOM 0 HG22 THR A 163 3.842 -1.107 16.702 1.00 0.00 H new ATOM 0 HG23 THR A 163 4.190 -0.076 15.294 1.00 0.00 H new ATOM 995 N ALA A 164 1.243 3.255 16.928 1.00 0.00 N ATOM 996 CA ALA A 164 0.506 4.338 17.566 1.00 0.00 C ATOM 997 C ALA A 164 -0.977 4.005 17.678 1.00 0.00 C ATOM 998 O ALA A 164 -1.566 4.108 18.754 1.00 0.00 O ATOM 999 CB ALA A 164 0.702 5.638 16.799 1.00 0.00 C ATOM 0 H ALA A 164 1.656 3.500 16.028 1.00 0.00 H new ATOM 0 HA ALA A 164 0.899 4.463 18.575 1.00 0.00 H new ATOM 0 HB1 ALA A 164 0.145 6.437 17.289 1.00 0.00 H new ATOM 0 HB2 ALA A 164 1.762 5.893 16.780 1.00 0.00 H new ATOM 0 HB3 ALA A 164 0.340 5.516 15.778 1.00 0.00 H new ATOM 1005 N LEU A 165 -1.574 3.604 16.561 1.00 0.00 N ATOM 1006 CA LEU A 165 -2.992 3.267 16.529 1.00 0.00 C ATOM 1007 C LEU A 165 -3.286 2.039 17.380 1.00 0.00 C ATOM 1008 O LEU A 165 -4.278 1.998 18.107 1.00 0.00 O ATOM 1009 CB LEU A 165 -3.449 3.036 15.083 1.00 0.00 C ATOM 1010 CG LEU A 165 -4.944 2.740 14.911 1.00 0.00 C ATOM 1011 CD1 LEU A 165 -5.771 3.902 15.446 1.00 0.00 C ATOM 1012 CD2 LEU A 165 -5.249 2.495 13.441 1.00 0.00 C ATOM 0 H LEU A 165 -1.097 3.504 15.665 1.00 0.00 H new ATOM 0 HA LEU A 165 -3.549 4.106 16.947 1.00 0.00 H new ATOM 0 HB2 LEU A 165 -3.200 3.919 14.494 1.00 0.00 H new ATOM 0 HB3 LEU A 165 -2.880 2.204 14.667 1.00 0.00 H new ATOM 0 HG LEU A 165 -5.204 1.846 15.477 1.00 0.00 H new ATOM 0 HD11 LEU A 165 -6.831 3.683 15.320 1.00 0.00 H new ATOM 0 HD12 LEU A 165 -5.554 4.046 16.504 1.00 0.00 H new ATOM 0 HD13 LEU A 165 -5.520 4.810 14.897 1.00 0.00 H new ATOM 0 HD21 LEU A 165 -6.312 2.285 13.320 1.00 0.00 H new ATOM 0 HD22 LEU A 165 -4.986 3.381 12.862 1.00 0.00 H new ATOM 0 HD23 LEU A 165 -4.668 1.644 13.086 1.00 0.00 H new