USER MOD reduce.3.24.130724 H: found=0, std=0, add=562, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 560 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 LEU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=-0.0022) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 ASN : amide:sc= -0.442 K(o=-0.44,f=-2.8!) USER MOD Single : A 8 ASN : amide:sc= -1.75! X(o=-1.7!,f=-1.2) USER MOD Single : A 10 THR OG1 : rot 180:sc= -0.108 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= -1.89 K(o=-1.9,f=-0.44) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot -119:sc= 0.252 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= -5.56! C(o=-5.6!,f=-8.2!) USER MOD Single : A 38 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.0609) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 HIS : no HD1:sc= -0.601 K(o=-0.6,f=-0.04) USER MOD Single : A 46 ASN : amide:sc= -3.01! C(o=-3!,f=-6.1!) USER MOD Single : A 48 ASN : amide:sc= -1.28! K(o=-1.3!,f=-0.34) USER MOD Single : A 51 THR OG1 : rot -92:sc= 0.104 USER MOD Single : A 52 THR OG1 : rot 105:sc= 0.196 USER MOD Single : A 57 ASN : amide:sc= -0.864 K(o=-0.86,f=-0.15) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot 158:sc= -0.906 USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 ASN : amide:sc= -5.36! C(o=-5.4!,f=-8.3!) USER MOD Single : A 72 ASN : amide:sc= -0.0346 X(o=-0.035,f=0.2) USER MOD Single : A 74 GLN : amide:sc= -4.31! C(o=-4.3!,f=-4.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 3.496 -12.640 -8.285 1.00 0.00 N ATOM 2 CA LEU A 1 3.037 -11.259 -8.606 1.00 0.00 C ATOM 3 C LEU A 1 3.334 -10.331 -7.426 1.00 0.00 C ATOM 4 O LEU A 1 2.509 -10.130 -6.558 1.00 0.00 O ATOM 5 CB LEU A 1 1.531 -11.270 -8.878 1.00 0.00 C ATOM 6 CG LEU A 1 1.211 -10.293 -10.009 1.00 0.00 C ATOM 7 CD1 LEU A 1 1.592 -8.875 -9.582 1.00 0.00 C ATOM 8 CD2 LEU A 1 2.008 -10.680 -11.257 1.00 0.00 C ATOM 0 H1 LEU A 1 3.293 -13.269 -9.088 1.00 0.00 H new ATOM 0 H2 LEU A 1 4.520 -12.632 -8.102 1.00 0.00 H new ATOM 0 H3 LEU A 1 2.996 -12.985 -7.441 1.00 0.00 H new ATOM 0 HA LEU A 1 3.564 -10.901 -9.490 1.00 0.00 H new ATOM 0 HB2 LEU A 1 1.207 -12.275 -9.148 1.00 0.00 H new ATOM 0 HB3 LEU A 1 0.986 -10.991 -7.976 1.00 0.00 H new ATOM 0 HG LEU A 1 0.145 -10.331 -10.231 1.00 0.00 H new ATOM 0 HD11 LEU A 1 1.364 -8.178 -10.389 1.00 0.00 H new ATOM 0 HD12 LEU A 1 1.026 -8.598 -8.693 1.00 0.00 H new ATOM 0 HD13 LEU A 1 2.658 -8.836 -9.360 1.00 0.00 H new ATOM 0 HD21 LEU A 1 1.781 -9.984 -12.064 1.00 0.00 H new ATOM 0 HD22 LEU A 1 3.074 -10.641 -11.034 1.00 0.00 H new ATOM 0 HD23 LEU A 1 1.738 -11.691 -11.563 1.00 0.00 H new ATOM 22 N GLN A 2 4.507 -9.759 -7.392 1.00 0.00 N ATOM 23 CA GLN A 2 4.858 -8.840 -6.274 1.00 0.00 C ATOM 24 C GLN A 2 4.533 -7.407 -6.686 1.00 0.00 C ATOM 25 O GLN A 2 4.508 -7.079 -7.852 1.00 0.00 O ATOM 26 CB GLN A 2 6.355 -8.952 -5.982 1.00 0.00 C ATOM 27 CG GLN A 2 6.637 -10.252 -5.226 1.00 0.00 C ATOM 28 CD GLN A 2 7.871 -10.932 -5.821 1.00 0.00 C ATOM 29 OE1 GLN A 2 7.845 -11.389 -6.947 1.00 0.00 O ATOM 30 NE2 GLN A 2 8.960 -11.021 -5.107 1.00 0.00 N ATOM 0 H GLN A 2 5.238 -9.889 -8.092 1.00 0.00 H new ATOM 0 HA GLN A 2 4.289 -9.107 -5.383 1.00 0.00 H new ATOM 0 HB2 GLN A 2 6.920 -8.932 -6.914 1.00 0.00 H new ATOM 0 HB3 GLN A 2 6.685 -8.097 -5.391 1.00 0.00 H new ATOM 0 HG2 GLN A 2 6.799 -10.042 -4.169 1.00 0.00 H new ATOM 0 HG3 GLN A 2 5.776 -10.917 -5.291 1.00 0.00 H new ATOM 0 HE21 GLN A 2 8.983 -10.638 -4.162 1.00 0.00 H new ATOM 0 HE22 GLN A 2 9.788 -11.474 -5.494 1.00 0.00 H new ATOM 39 N CYS A 3 4.287 -6.548 -5.739 1.00 0.00 N ATOM 40 CA CYS A 3 3.971 -5.135 -6.085 1.00 0.00 C ATOM 41 C CYS A 3 4.664 -4.207 -5.085 1.00 0.00 C ATOM 42 O CYS A 3 5.228 -4.647 -4.103 1.00 0.00 O ATOM 43 CB CYS A 3 2.461 -4.913 -6.031 1.00 0.00 C ATOM 44 SG CYS A 3 1.629 -6.095 -7.123 1.00 0.00 S ATOM 0 H CYS A 3 4.291 -6.762 -4.742 1.00 0.00 H new ATOM 0 HA CYS A 3 4.325 -4.919 -7.093 1.00 0.00 H new ATOM 0 HB2 CYS A 3 2.103 -5.034 -5.009 1.00 0.00 H new ATOM 0 HB3 CYS A 3 2.223 -3.893 -6.334 1.00 0.00 H new ATOM 49 N TYR A 4 4.629 -2.926 -5.327 1.00 0.00 N ATOM 50 CA TYR A 4 5.289 -1.977 -4.389 1.00 0.00 C ATOM 51 C TYR A 4 4.296 -1.564 -3.302 1.00 0.00 C ATOM 52 O TYR A 4 3.168 -1.209 -3.579 1.00 0.00 O ATOM 53 CB TYR A 4 5.754 -0.740 -5.157 1.00 0.00 C ATOM 54 CG TYR A 4 7.049 -1.048 -5.870 1.00 0.00 C ATOM 55 CD1 TYR A 4 8.272 -0.839 -5.222 1.00 0.00 C ATOM 56 CD2 TYR A 4 7.027 -1.542 -7.180 1.00 0.00 C ATOM 57 CE1 TYR A 4 9.472 -1.125 -5.882 1.00 0.00 C ATOM 58 CE2 TYR A 4 8.227 -1.828 -7.840 1.00 0.00 C ATOM 59 CZ TYR A 4 9.450 -1.619 -7.191 1.00 0.00 C ATOM 60 OH TYR A 4 10.634 -1.901 -7.842 1.00 0.00 O ATOM 0 H TYR A 4 4.173 -2.497 -6.132 1.00 0.00 H new ATOM 0 HA TYR A 4 6.151 -2.460 -3.928 1.00 0.00 H new ATOM 0 HB2 TYR A 4 4.993 -0.438 -5.877 1.00 0.00 H new ATOM 0 HB3 TYR A 4 5.894 0.096 -4.471 1.00 0.00 H new ATOM 0 HD1 TYR A 4 8.289 -0.457 -4.212 1.00 0.00 H new ATOM 0 HD2 TYR A 4 6.084 -1.702 -7.681 1.00 0.00 H new ATOM 0 HE1 TYR A 4 10.415 -0.964 -5.381 1.00 0.00 H new ATOM 0 HE2 TYR A 4 8.210 -2.210 -8.850 1.00 0.00 H new ATOM 0 HH TYR A 4 10.440 -2.237 -8.742 1.00 0.00 H new ATOM 70 N ASN A 5 4.705 -1.611 -2.063 1.00 0.00 N ATOM 71 CA ASN A 5 3.783 -1.224 -0.960 1.00 0.00 C ATOM 72 C ASN A 5 4.432 -0.138 -0.102 1.00 0.00 C ATOM 73 O ASN A 5 5.639 -0.007 -0.049 1.00 0.00 O ATOM 74 CB ASN A 5 3.489 -2.448 -0.092 1.00 0.00 C ATOM 75 CG ASN A 5 1.993 -2.500 0.226 1.00 0.00 C ATOM 76 OD1 ASN A 5 1.170 -2.199 -0.615 1.00 0.00 O ATOM 77 ND2 ASN A 5 1.605 -2.872 1.415 1.00 0.00 N ATOM 0 H ASN A 5 5.638 -1.901 -1.768 1.00 0.00 H new ATOM 0 HA ASN A 5 2.854 -0.842 -1.383 1.00 0.00 H new ATOM 0 HB2 ASN A 5 3.793 -3.357 -0.611 1.00 0.00 H new ATOM 0 HB3 ASN A 5 4.067 -2.400 0.831 1.00 0.00 H new ATOM 0 HD21 ASN A 5 0.610 -2.910 1.638 1.00 0.00 H new ATOM 0 HD22 ASN A 5 2.296 -3.125 2.121 1.00 0.00 H new ATOM 84 N CYS A 6 3.635 0.643 0.572 1.00 0.00 N ATOM 85 CA CYS A 6 4.197 1.722 1.431 1.00 0.00 C ATOM 86 C CYS A 6 3.140 2.162 2.451 1.00 0.00 C ATOM 87 O CYS A 6 1.957 2.028 2.210 1.00 0.00 O ATOM 88 CB CYS A 6 4.590 2.916 0.558 1.00 0.00 C ATOM 89 SG CYS A 6 6.392 2.981 0.396 1.00 0.00 S ATOM 0 H CYS A 6 2.617 0.581 0.565 1.00 0.00 H new ATOM 0 HA CYS A 6 5.077 1.350 1.955 1.00 0.00 H new ATOM 0 HB2 CYS A 6 4.129 2.828 -0.426 1.00 0.00 H new ATOM 0 HB3 CYS A 6 4.221 3.841 1.001 1.00 0.00 H new ATOM 94 N PRO A 7 3.604 2.676 3.561 1.00 0.00 N ATOM 95 CA PRO A 7 2.724 3.151 4.642 1.00 0.00 C ATOM 96 C PRO A 7 2.153 4.526 4.292 1.00 0.00 C ATOM 97 O PRO A 7 1.244 5.017 4.932 1.00 0.00 O ATOM 98 CB PRO A 7 3.657 3.236 5.853 1.00 0.00 C ATOM 99 CG PRO A 7 5.093 3.358 5.290 1.00 0.00 C ATOM 100 CD PRO A 7 5.045 2.831 3.842 1.00 0.00 C ATOM 0 HA PRO A 7 1.867 2.501 4.819 1.00 0.00 H new ATOM 0 HB2 PRO A 7 3.409 4.096 6.475 1.00 0.00 H new ATOM 0 HB3 PRO A 7 3.560 2.350 6.481 1.00 0.00 H new ATOM 0 HG2 PRO A 7 5.432 4.394 5.314 1.00 0.00 H new ATOM 0 HG3 PRO A 7 5.795 2.779 5.890 1.00 0.00 H new ATOM 0 HD2 PRO A 7 5.513 3.529 3.148 1.00 0.00 H new ATOM 0 HD3 PRO A 7 5.574 1.883 3.745 1.00 0.00 H new ATOM 108 N ASN A 8 2.682 5.151 3.276 1.00 0.00 N ATOM 109 CA ASN A 8 2.174 6.493 2.876 1.00 0.00 C ATOM 110 C ASN A 8 2.303 6.650 1.361 1.00 0.00 C ATOM 111 O ASN A 8 3.191 6.084 0.754 1.00 0.00 O ATOM 112 CB ASN A 8 2.988 7.581 3.579 1.00 0.00 C ATOM 113 CG ASN A 8 4.474 7.395 3.265 1.00 0.00 C ATOM 114 OD1 ASN A 8 5.150 6.620 3.912 1.00 0.00 O ATOM 115 ND2 ASN A 8 5.012 8.076 2.291 1.00 0.00 N ATOM 0 H ASN A 8 3.446 4.789 2.705 1.00 0.00 H new ATOM 0 HA ASN A 8 1.127 6.588 3.164 1.00 0.00 H new ATOM 0 HB2 ASN A 8 2.657 8.566 3.250 1.00 0.00 H new ATOM 0 HB3 ASN A 8 2.825 7.533 4.656 1.00 0.00 H new ATOM 0 HD21 ASN A 8 6.001 7.958 2.072 1.00 0.00 H new ATOM 0 HD22 ASN A 8 4.443 8.726 1.749 1.00 0.00 H new ATOM 122 N PRO A 9 1.407 7.415 0.795 1.00 0.00 N ATOM 123 CA PRO A 9 1.386 7.668 -0.654 1.00 0.00 C ATOM 124 C PRO A 9 2.467 8.678 -1.033 1.00 0.00 C ATOM 125 O PRO A 9 2.211 9.854 -1.195 1.00 0.00 O ATOM 126 CB PRO A 9 -0.015 8.232 -0.900 1.00 0.00 C ATOM 127 CG PRO A 9 -0.504 8.793 0.458 1.00 0.00 C ATOM 128 CD PRO A 9 0.336 8.099 1.546 1.00 0.00 C ATOM 0 HA PRO A 9 1.587 6.779 -1.251 1.00 0.00 H new ATOM 0 HB2 PRO A 9 0.009 9.015 -1.658 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -0.688 7.456 -1.265 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -0.375 9.875 0.500 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -1.566 8.592 0.601 1.00 0.00 H new ATOM 0 HD2 PRO A 9 0.744 8.820 2.254 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -0.262 7.391 2.120 1.00 0.00 H new ATOM 136 N THR A 10 3.675 8.216 -1.175 1.00 0.00 N ATOM 137 CA THR A 10 4.789 9.134 -1.544 1.00 0.00 C ATOM 138 C THR A 10 5.106 8.975 -3.033 1.00 0.00 C ATOM 139 O THR A 10 4.722 8.007 -3.660 1.00 0.00 O ATOM 140 CB THR A 10 6.031 8.786 -0.720 1.00 0.00 C ATOM 141 OG1 THR A 10 7.112 9.615 -1.124 1.00 0.00 O ATOM 142 CG2 THR A 10 6.399 7.319 -0.941 1.00 0.00 C ATOM 0 H THR A 10 3.942 7.239 -1.051 1.00 0.00 H new ATOM 0 HA THR A 10 4.495 10.164 -1.341 1.00 0.00 H new ATOM 0 HB THR A 10 5.823 8.949 0.338 1.00 0.00 H new ATOM 0 HG1 THR A 10 7.908 9.395 -0.596 1.00 0.00 H new ATOM 0 HG21 THR A 10 7.284 7.073 -0.353 1.00 0.00 H new ATOM 0 HG22 THR A 10 5.569 6.685 -0.630 1.00 0.00 H new ATOM 0 HG23 THR A 10 6.607 7.151 -1.998 1.00 0.00 H new ATOM 150 N ALA A 11 5.803 9.917 -3.606 1.00 0.00 N ATOM 151 CA ALA A 11 6.142 9.819 -5.053 1.00 0.00 C ATOM 152 C ALA A 11 7.545 9.230 -5.209 1.00 0.00 C ATOM 153 O ALA A 11 8.307 9.634 -6.067 1.00 0.00 O ATOM 154 CB ALA A 11 6.097 11.213 -5.682 1.00 0.00 C ATOM 0 H ALA A 11 6.153 10.751 -3.134 1.00 0.00 H new ATOM 0 HA ALA A 11 5.421 9.173 -5.554 1.00 0.00 H new ATOM 0 HB1 ALA A 11 6.345 11.142 -6.741 1.00 0.00 H new ATOM 0 HB2 ALA A 11 5.096 11.630 -5.571 1.00 0.00 H new ATOM 0 HB3 ALA A 11 6.818 11.861 -5.183 1.00 0.00 H new ATOM 160 N ASP A 12 7.895 8.278 -4.388 1.00 0.00 N ATOM 161 CA ASP A 12 9.249 7.663 -4.491 1.00 0.00 C ATOM 162 C ASP A 12 9.303 6.403 -3.625 1.00 0.00 C ATOM 163 O ASP A 12 10.319 6.082 -3.042 1.00 0.00 O ATOM 164 CB ASP A 12 10.302 8.662 -4.007 1.00 0.00 C ATOM 165 CG ASP A 12 11.333 8.899 -5.113 1.00 0.00 C ATOM 166 OD1 ASP A 12 11.051 8.542 -6.245 1.00 0.00 O ATOM 167 OD2 ASP A 12 12.386 9.433 -4.808 1.00 0.00 O ATOM 0 H ASP A 12 7.302 7.899 -3.650 1.00 0.00 H new ATOM 0 HA ASP A 12 9.451 7.399 -5.529 1.00 0.00 H new ATOM 0 HB2 ASP A 12 9.826 9.603 -3.733 1.00 0.00 H new ATOM 0 HB3 ASP A 12 10.795 8.281 -3.112 1.00 0.00 H new ATOM 172 N CYS A 13 8.216 5.687 -3.537 1.00 0.00 N ATOM 173 CA CYS A 13 8.203 4.448 -2.708 1.00 0.00 C ATOM 174 C CYS A 13 8.899 3.318 -3.469 1.00 0.00 C ATOM 175 O CYS A 13 8.415 2.843 -4.478 1.00 0.00 O ATOM 176 CB CYS A 13 6.755 4.046 -2.413 1.00 0.00 C ATOM 177 SG CYS A 13 6.737 2.468 -1.527 1.00 0.00 S ATOM 0 H CYS A 13 7.336 5.906 -4.003 1.00 0.00 H new ATOM 0 HA CYS A 13 8.728 4.633 -1.771 1.00 0.00 H new ATOM 0 HB2 CYS A 13 6.267 4.816 -1.816 1.00 0.00 H new ATOM 0 HB3 CYS A 13 6.193 3.960 -3.343 1.00 0.00 H new ATOM 182 N LYS A 14 10.033 2.880 -2.992 1.00 0.00 N ATOM 183 CA LYS A 14 10.760 1.780 -3.685 1.00 0.00 C ATOM 184 C LYS A 14 10.758 0.533 -2.798 1.00 0.00 C ATOM 185 O LYS A 14 11.537 -0.380 -2.990 1.00 0.00 O ATOM 186 CB LYS A 14 12.202 2.213 -3.955 1.00 0.00 C ATOM 187 CG LYS A 14 12.323 2.713 -5.397 1.00 0.00 C ATOM 188 CD LYS A 14 13.609 2.169 -6.024 1.00 0.00 C ATOM 189 CE LYS A 14 14.775 3.101 -5.689 1.00 0.00 C ATOM 190 NZ LYS A 14 15.653 3.247 -6.885 1.00 0.00 N ATOM 0 H LYS A 14 10.487 3.237 -2.151 1.00 0.00 H new ATOM 0 HA LYS A 14 10.266 1.555 -4.630 1.00 0.00 H new ATOM 0 HB2 LYS A 14 12.493 3.001 -3.260 1.00 0.00 H new ATOM 0 HB3 LYS A 14 12.881 1.376 -3.791 1.00 0.00 H new ATOM 0 HG2 LYS A 14 11.459 2.391 -5.978 1.00 0.00 H new ATOM 0 HG3 LYS A 14 12.331 3.803 -5.415 1.00 0.00 H new ATOM 0 HD2 LYS A 14 13.812 1.166 -5.649 1.00 0.00 H new ATOM 0 HD3 LYS A 14 13.493 2.088 -7.105 1.00 0.00 H new ATOM 0 HE2 LYS A 14 14.398 4.076 -5.380 1.00 0.00 H new ATOM 0 HE3 LYS A 14 15.346 2.700 -4.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 16.446 3.880 -6.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 16.022 2.315 -7.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 15.104 3.648 -7.672 1.00 0.00 H new ATOM 204 N THR A 15 9.887 0.490 -1.826 1.00 0.00 N ATOM 205 CA THR A 15 9.832 -0.695 -0.925 1.00 0.00 C ATOM 206 C THR A 15 9.098 -1.839 -1.629 1.00 0.00 C ATOM 207 O THR A 15 7.917 -2.046 -1.430 1.00 0.00 O ATOM 208 CB THR A 15 9.087 -0.319 0.360 1.00 0.00 C ATOM 209 OG1 THR A 15 9.918 0.507 1.163 1.00 0.00 O ATOM 210 CG2 THR A 15 8.723 -1.586 1.137 1.00 0.00 C ATOM 0 H THR A 15 9.211 1.225 -1.618 1.00 0.00 H new ATOM 0 HA THR A 15 10.844 -1.015 -0.679 1.00 0.00 H new ATOM 0 HB THR A 15 8.175 0.219 0.103 1.00 0.00 H new ATOM 0 HG1 THR A 15 9.442 0.750 1.985 1.00 0.00 H new ATOM 0 HG21 THR A 15 8.193 -1.313 2.050 1.00 0.00 H new ATOM 0 HG22 THR A 15 8.084 -2.219 0.522 1.00 0.00 H new ATOM 0 HG23 THR A 15 9.632 -2.129 1.394 1.00 0.00 H new ATOM 218 N ALA A 16 9.787 -2.583 -2.450 1.00 0.00 N ATOM 219 CA ALA A 16 9.127 -3.713 -3.164 1.00 0.00 C ATOM 220 C ALA A 16 8.699 -4.774 -2.149 1.00 0.00 C ATOM 221 O ALA A 16 9.264 -4.885 -1.078 1.00 0.00 O ATOM 222 CB ALA A 16 10.107 -4.332 -4.163 1.00 0.00 C ATOM 0 H ALA A 16 10.778 -2.458 -2.657 1.00 0.00 H new ATOM 0 HA ALA A 16 8.252 -3.342 -3.698 1.00 0.00 H new ATOM 0 HB1 ALA A 16 9.623 -5.158 -4.684 1.00 0.00 H new ATOM 0 HB2 ALA A 16 10.414 -3.577 -4.887 1.00 0.00 H new ATOM 0 HB3 ALA A 16 10.983 -4.703 -3.631 1.00 0.00 H new ATOM 228 N VAL A 17 7.706 -5.553 -2.473 1.00 0.00 N ATOM 229 CA VAL A 17 7.247 -6.603 -1.521 1.00 0.00 C ATOM 230 C VAL A 17 6.105 -7.399 -2.153 1.00 0.00 C ATOM 231 O VAL A 17 5.352 -6.890 -2.958 1.00 0.00 O ATOM 232 CB VAL A 17 6.754 -5.937 -0.235 1.00 0.00 C ATOM 233 CG1 VAL A 17 5.710 -4.874 -0.581 1.00 0.00 C ATOM 234 CG2 VAL A 17 6.123 -6.993 0.676 1.00 0.00 C ATOM 0 H VAL A 17 7.193 -5.509 -3.353 1.00 0.00 H new ATOM 0 HA VAL A 17 8.073 -7.276 -1.291 1.00 0.00 H new ATOM 0 HB VAL A 17 7.594 -5.469 0.278 1.00 0.00 H new ATOM 0 HG11 VAL A 17 5.358 -4.399 0.334 1.00 0.00 H new ATOM 0 HG12 VAL A 17 6.158 -4.122 -1.231 1.00 0.00 H new ATOM 0 HG13 VAL A 17 4.870 -5.343 -1.093 1.00 0.00 H new ATOM 0 HG21 VAL A 17 5.771 -6.520 1.593 1.00 0.00 H new ATOM 0 HG22 VAL A 17 5.282 -7.460 0.163 1.00 0.00 H new ATOM 0 HG23 VAL A 17 6.866 -7.752 0.922 1.00 0.00 H new ATOM 244 N ASN A 18 5.964 -8.643 -1.787 1.00 0.00 N ATOM 245 CA ASN A 18 4.857 -9.460 -2.367 1.00 0.00 C ATOM 246 C ASN A 18 3.600 -9.263 -1.521 1.00 0.00 C ATOM 247 O ASN A 18 3.557 -9.625 -0.363 1.00 0.00 O ATOM 248 CB ASN A 18 5.227 -10.953 -2.396 1.00 0.00 C ATOM 249 CG ASN A 18 6.329 -11.261 -1.379 1.00 0.00 C ATOM 250 OD1 ASN A 18 6.074 -11.799 -0.319 1.00 0.00 O ATOM 251 ND2 ASN A 18 7.552 -10.926 -1.696 1.00 0.00 N ATOM 0 H ASN A 18 6.561 -9.128 -1.117 1.00 0.00 H new ATOM 0 HA ASN A 18 4.680 -9.133 -3.392 1.00 0.00 H new ATOM 0 HB2 ASN A 18 4.345 -11.555 -2.177 1.00 0.00 H new ATOM 0 HB3 ASN A 18 5.561 -11.230 -3.396 1.00 0.00 H new ATOM 0 HD21 ASN A 18 8.317 -11.115 -1.048 1.00 0.00 H new ATOM 0 HD22 ASN A 18 7.742 -10.476 -2.591 1.00 0.00 H new ATOM 257 N CYS A 19 2.577 -8.684 -2.089 1.00 0.00 N ATOM 258 CA CYS A 19 1.327 -8.458 -1.308 1.00 0.00 C ATOM 259 C CYS A 19 0.743 -9.803 -0.872 1.00 0.00 C ATOM 260 O CYS A 19 1.056 -10.838 -1.428 1.00 0.00 O ATOM 261 CB CYS A 19 0.306 -7.711 -2.171 1.00 0.00 C ATOM 262 SG CYS A 19 -0.047 -6.099 -1.421 1.00 0.00 S ATOM 0 H CYS A 19 2.552 -8.359 -3.056 1.00 0.00 H new ATOM 0 HA CYS A 19 1.558 -7.861 -0.426 1.00 0.00 H new ATOM 0 HB2 CYS A 19 0.694 -7.578 -3.181 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -0.611 -8.294 -2.256 1.00 0.00 H new ATOM 267 N SER A 20 -0.102 -9.796 0.123 1.00 0.00 N ATOM 268 CA SER A 20 -0.706 -11.072 0.601 1.00 0.00 C ATOM 269 C SER A 20 -1.393 -11.783 -0.566 1.00 0.00 C ATOM 270 O SER A 20 -1.308 -11.361 -1.701 1.00 0.00 O ATOM 271 CB SER A 20 -1.736 -10.770 1.690 1.00 0.00 C ATOM 272 OG SER A 20 -1.494 -11.612 2.810 1.00 0.00 O ATOM 0 H SER A 20 -0.400 -8.960 0.626 1.00 0.00 H new ATOM 0 HA SER A 20 0.076 -11.714 1.006 1.00 0.00 H new ATOM 0 HB2 SER A 20 -1.673 -9.723 1.987 1.00 0.00 H new ATOM 0 HB3 SER A 20 -2.744 -10.933 1.309 1.00 0.00 H new ATOM 0 HG SER A 20 -2.151 -11.420 3.511 1.00 0.00 H new ATOM 278 N SER A 21 -2.074 -12.864 -0.295 1.00 0.00 N ATOM 279 CA SER A 21 -2.765 -13.604 -1.387 1.00 0.00 C ATOM 280 C SER A 21 -3.910 -12.751 -1.937 1.00 0.00 C ATOM 281 O SER A 21 -4.198 -11.682 -1.436 1.00 0.00 O ATOM 282 CB SER A 21 -3.324 -14.917 -0.838 1.00 0.00 C ATOM 283 OG SER A 21 -2.337 -15.933 -0.957 1.00 0.00 O ATOM 0 H SER A 21 -2.181 -13.266 0.636 1.00 0.00 H new ATOM 0 HA SER A 21 -2.056 -13.818 -2.187 1.00 0.00 H new ATOM 0 HB2 SER A 21 -3.613 -14.795 0.206 1.00 0.00 H new ATOM 0 HB3 SER A 21 -4.223 -15.201 -1.386 1.00 0.00 H new ATOM 0 HG SER A 21 -2.691 -16.776 -0.604 1.00 0.00 H new ATOM 289 N ASP A 22 -4.565 -13.216 -2.965 1.00 0.00 N ATOM 290 CA ASP A 22 -5.692 -12.434 -3.549 1.00 0.00 C ATOM 291 C ASP A 22 -5.154 -11.120 -4.123 1.00 0.00 C ATOM 292 O ASP A 22 -5.795 -10.090 -4.049 1.00 0.00 O ATOM 293 CB ASP A 22 -6.723 -12.134 -2.458 1.00 0.00 C ATOM 294 CG ASP A 22 -7.844 -13.174 -2.514 1.00 0.00 C ATOM 295 OD1 ASP A 22 -8.020 -13.771 -3.564 1.00 0.00 O ATOM 296 OD2 ASP A 22 -8.506 -13.357 -1.507 1.00 0.00 O ATOM 0 H ASP A 22 -4.369 -14.104 -3.426 1.00 0.00 H new ATOM 0 HA ASP A 22 -6.165 -13.011 -4.344 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -6.246 -12.150 -1.478 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -7.133 -11.134 -2.596 1.00 0.00 H new ATOM 301 N PHE A 23 -3.981 -11.149 -4.695 1.00 0.00 N ATOM 302 CA PHE A 23 -3.399 -9.906 -5.275 1.00 0.00 C ATOM 303 C PHE A 23 -2.478 -10.277 -6.440 1.00 0.00 C ATOM 304 O PHE A 23 -1.387 -10.774 -6.245 1.00 0.00 O ATOM 305 CB PHE A 23 -2.590 -9.170 -4.203 1.00 0.00 C ATOM 306 CG PHE A 23 -3.521 -8.653 -3.132 1.00 0.00 C ATOM 307 CD1 PHE A 23 -4.617 -7.856 -3.480 1.00 0.00 C ATOM 308 CD2 PHE A 23 -3.285 -8.971 -1.789 1.00 0.00 C ATOM 309 CE1 PHE A 23 -5.478 -7.377 -2.485 1.00 0.00 C ATOM 310 CE2 PHE A 23 -4.145 -8.492 -0.795 1.00 0.00 C ATOM 311 CZ PHE A 23 -5.241 -7.696 -1.142 1.00 0.00 C ATOM 0 H PHE A 23 -3.400 -11.982 -4.786 1.00 0.00 H new ATOM 0 HA PHE A 23 -4.201 -9.259 -5.631 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -1.852 -9.842 -3.764 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -2.040 -8.343 -4.652 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -4.799 -7.610 -4.516 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -2.439 -9.586 -1.520 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -6.324 -6.762 -2.753 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -3.962 -8.737 0.241 1.00 0.00 H new ATOM 0 HZ PHE A 23 -5.905 -7.327 -0.374 1.00 0.00 H new ATOM 321 N ASP A 24 -2.909 -10.046 -7.650 1.00 0.00 N ATOM 322 CA ASP A 24 -2.055 -10.393 -8.821 1.00 0.00 C ATOM 323 C ASP A 24 -2.041 -9.228 -9.812 1.00 0.00 C ATOM 324 O ASP A 24 -1.590 -9.360 -10.933 1.00 0.00 O ATOM 325 CB ASP A 24 -2.616 -11.639 -9.511 1.00 0.00 C ATOM 326 CG ASP A 24 -1.549 -12.734 -9.539 1.00 0.00 C ATOM 327 OD1 ASP A 24 -0.678 -12.663 -10.391 1.00 0.00 O ATOM 328 OD2 ASP A 24 -1.621 -13.626 -8.710 1.00 0.00 O ATOM 0 H ASP A 24 -3.813 -9.633 -7.878 1.00 0.00 H new ATOM 0 HA ASP A 24 -1.039 -10.590 -8.479 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -3.501 -11.993 -8.982 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -2.928 -11.395 -10.527 1.00 0.00 H new ATOM 333 N ALA A 25 -2.531 -8.086 -9.413 1.00 0.00 N ATOM 334 CA ALA A 25 -2.541 -6.920 -10.339 1.00 0.00 C ATOM 335 C ALA A 25 -1.906 -5.716 -9.643 1.00 0.00 C ATOM 336 O ALA A 25 -2.578 -4.947 -8.983 1.00 0.00 O ATOM 337 CB ALA A 25 -3.984 -6.584 -10.719 1.00 0.00 C ATOM 0 H ALA A 25 -2.924 -7.911 -8.488 1.00 0.00 H new ATOM 0 HA ALA A 25 -1.975 -7.163 -11.238 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -3.992 -5.730 -11.397 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -4.440 -7.443 -11.211 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -4.549 -6.339 -9.820 1.00 0.00 H new ATOM 343 N CYS A 26 -0.621 -5.534 -9.787 1.00 0.00 N ATOM 344 CA CYS A 26 0.031 -4.369 -9.129 1.00 0.00 C ATOM 345 C CYS A 26 -0.708 -3.106 -9.557 1.00 0.00 C ATOM 346 O CYS A 26 -1.185 -3.006 -10.668 1.00 0.00 O ATOM 347 CB CYS A 26 1.499 -4.279 -9.555 1.00 0.00 C ATOM 348 SG CYS A 26 2.403 -5.728 -8.954 1.00 0.00 S ATOM 0 H CYS A 26 -0.000 -6.137 -10.327 1.00 0.00 H new ATOM 0 HA CYS A 26 -0.008 -4.482 -8.046 1.00 0.00 H new ATOM 0 HB2 CYS A 26 1.569 -4.220 -10.641 1.00 0.00 H new ATOM 0 HB3 CYS A 26 1.947 -3.369 -9.157 1.00 0.00 H new ATOM 353 N LEU A 27 -0.834 -2.148 -8.690 1.00 0.00 N ATOM 354 CA LEU A 27 -1.574 -0.918 -9.074 1.00 0.00 C ATOM 355 C LEU A 27 -0.681 0.313 -8.935 1.00 0.00 C ATOM 356 O LEU A 27 -0.036 0.525 -7.926 1.00 0.00 O ATOM 357 CB LEU A 27 -2.797 -0.779 -8.169 1.00 0.00 C ATOM 358 CG LEU A 27 -3.472 0.570 -8.404 1.00 0.00 C ATOM 359 CD1 LEU A 27 -4.735 0.359 -9.239 1.00 0.00 C ATOM 360 CD2 LEU A 27 -3.841 1.185 -7.051 1.00 0.00 C ATOM 0 H LEU A 27 -0.461 -2.160 -7.741 1.00 0.00 H new ATOM 0 HA LEU A 27 -1.886 -0.995 -10.116 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -3.501 -1.587 -8.369 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -2.498 -0.868 -7.125 1.00 0.00 H new ATOM 0 HG LEU A 27 -2.796 1.240 -8.935 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -5.222 1.319 -9.411 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -4.468 -0.089 -10.196 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -5.417 -0.304 -8.706 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -4.324 2.149 -7.209 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -4.524 0.519 -6.523 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -2.938 1.325 -6.456 1.00 0.00 H new ATOM 372 N ILE A 28 -0.660 1.137 -9.947 1.00 0.00 N ATOM 373 CA ILE A 28 0.163 2.374 -9.900 1.00 0.00 C ATOM 374 C ILE A 28 -0.741 3.566 -10.214 1.00 0.00 C ATOM 375 O ILE A 28 -1.011 3.870 -11.359 1.00 0.00 O ATOM 376 CB ILE A 28 1.286 2.285 -10.938 1.00 0.00 C ATOM 377 CG1 ILE A 28 2.047 3.612 -10.980 1.00 0.00 C ATOM 378 CG2 ILE A 28 0.686 1.997 -12.315 1.00 0.00 C ATOM 379 CD1 ILE A 28 2.979 3.629 -12.193 1.00 0.00 C ATOM 0 H ILE A 28 -1.184 1.003 -10.812 1.00 0.00 H new ATOM 0 HA ILE A 28 0.608 2.493 -8.912 1.00 0.00 H new ATOM 0 HB ILE A 28 1.971 1.482 -10.665 1.00 0.00 H new ATOM 0 HG12 ILE A 28 1.345 4.444 -11.036 1.00 0.00 H new ATOM 0 HG13 ILE A 28 2.623 3.742 -10.064 1.00 0.00 H new ATOM 0 HG21 ILE A 28 1.485 1.934 -13.054 1.00 0.00 H new ATOM 0 HG22 ILE A 28 0.144 1.052 -12.285 1.00 0.00 H new ATOM 0 HG23 ILE A 28 0.001 2.800 -12.589 1.00 0.00 H new ATOM 0 HD11 ILE A 28 3.521 4.574 -12.222 1.00 0.00 H new ATOM 0 HD12 ILE A 28 3.689 2.806 -12.117 1.00 0.00 H new ATOM 0 HD13 ILE A 28 2.392 3.519 -13.105 1.00 0.00 H new ATOM 391 N THR A 29 -1.229 4.231 -9.203 1.00 0.00 N ATOM 392 CA THR A 29 -2.133 5.392 -9.439 1.00 0.00 C ATOM 393 C THR A 29 -1.360 6.698 -9.243 1.00 0.00 C ATOM 394 O THR A 29 -0.408 6.763 -8.491 1.00 0.00 O ATOM 395 CB THR A 29 -3.301 5.330 -8.449 1.00 0.00 C ATOM 396 OG1 THR A 29 -4.192 4.294 -8.838 1.00 0.00 O ATOM 397 CG2 THR A 29 -4.043 6.666 -8.441 1.00 0.00 C ATOM 0 H THR A 29 -1.041 4.020 -8.223 1.00 0.00 H new ATOM 0 HA THR A 29 -2.515 5.355 -10.459 1.00 0.00 H new ATOM 0 HB THR A 29 -2.918 5.127 -7.449 1.00 0.00 H new ATOM 0 HG1 THR A 29 -5.075 4.675 -9.025 1.00 0.00 H new ATOM 0 HG21 THR A 29 -4.873 6.617 -7.736 1.00 0.00 H new ATOM 0 HG22 THR A 29 -3.359 7.460 -8.142 1.00 0.00 H new ATOM 0 HG23 THR A 29 -4.427 6.875 -9.439 1.00 0.00 H new ATOM 405 N LYS A 30 -1.768 7.739 -9.916 1.00 0.00 N ATOM 406 CA LYS A 30 -1.065 9.045 -9.774 1.00 0.00 C ATOM 407 C LYS A 30 -2.099 10.169 -9.696 1.00 0.00 C ATOM 408 O LYS A 30 -2.473 10.754 -10.694 1.00 0.00 O ATOM 409 CB LYS A 30 -0.155 9.271 -10.984 1.00 0.00 C ATOM 410 CG LYS A 30 1.300 9.026 -10.583 1.00 0.00 C ATOM 411 CD LYS A 30 2.210 9.281 -11.786 1.00 0.00 C ATOM 412 CE LYS A 30 2.230 8.040 -12.681 1.00 0.00 C ATOM 413 NZ LYS A 30 3.548 7.942 -13.368 1.00 0.00 N ATOM 0 H LYS A 30 -2.560 7.741 -10.559 1.00 0.00 H new ATOM 0 HA LYS A 30 -0.463 9.038 -8.866 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -0.437 8.600 -11.795 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -0.274 10.288 -11.356 1.00 0.00 H new ATOM 0 HG2 LYS A 30 1.577 9.683 -9.758 1.00 0.00 H new ATOM 0 HG3 LYS A 30 1.424 8.002 -10.230 1.00 0.00 H new ATOM 0 HD2 LYS A 30 1.853 10.143 -12.349 1.00 0.00 H new ATOM 0 HD3 LYS A 30 3.220 9.516 -11.449 1.00 0.00 H new ATOM 0 HE2 LYS A 30 2.052 7.146 -12.084 1.00 0.00 H new ATOM 0 HE3 LYS A 30 1.428 8.097 -13.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 3.561 7.098 -13.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 3.700 8.790 -13.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 4.305 7.869 -12.658 1.00 0.00 H new ATOM 427 N ALA A 31 -2.564 10.475 -8.517 1.00 0.00 N ATOM 428 CA ALA A 31 -3.576 11.560 -8.371 1.00 0.00 C ATOM 429 C ALA A 31 -2.866 12.913 -8.307 1.00 0.00 C ATOM 430 O ALA A 31 -2.790 13.537 -7.268 1.00 0.00 O ATOM 431 CB ALA A 31 -4.376 11.344 -7.085 1.00 0.00 C ATOM 0 H ALA A 31 -2.287 10.021 -7.647 1.00 0.00 H new ATOM 0 HA ALA A 31 -4.252 11.543 -9.226 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -5.116 12.138 -6.979 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -4.882 10.380 -7.129 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -3.701 11.361 -6.229 1.00 0.00 H new ATOM 437 N GLY A 32 -2.344 13.371 -9.411 1.00 0.00 N ATOM 438 CA GLY A 32 -1.639 14.683 -9.412 1.00 0.00 C ATOM 439 C GLY A 32 -0.142 14.458 -9.198 1.00 0.00 C ATOM 440 O GLY A 32 0.611 14.292 -10.138 1.00 0.00 O ATOM 0 H GLY A 32 -2.375 12.894 -10.312 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -1.809 15.198 -10.357 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -2.038 15.323 -8.625 1.00 0.00 H new ATOM 444 N LEU A 33 0.298 14.452 -7.969 1.00 0.00 N ATOM 445 CA LEU A 33 1.748 14.239 -7.700 1.00 0.00 C ATOM 446 C LEU A 33 1.930 13.061 -6.738 1.00 0.00 C ATOM 447 O LEU A 33 2.983 12.456 -6.679 1.00 0.00 O ATOM 448 CB LEU A 33 2.340 15.505 -7.077 1.00 0.00 C ATOM 449 CG LEU A 33 3.649 15.857 -7.783 1.00 0.00 C ATOM 450 CD1 LEU A 33 3.804 17.377 -7.846 1.00 0.00 C ATOM 451 CD2 LEU A 33 4.824 15.257 -7.006 1.00 0.00 C ATOM 0 H LEU A 33 -0.283 14.585 -7.141 1.00 0.00 H new ATOM 0 HA LEU A 33 2.260 14.018 -8.637 1.00 0.00 H new ATOM 0 HB2 LEU A 33 1.634 16.331 -7.165 1.00 0.00 H new ATOM 0 HB3 LEU A 33 2.519 15.350 -6.013 1.00 0.00 H new ATOM 0 HG LEU A 33 3.636 15.452 -8.795 1.00 0.00 H new ATOM 0 HD11 LEU A 33 4.738 17.627 -8.350 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.968 17.805 -8.399 1.00 0.00 H new ATOM 0 HD13 LEU A 33 3.817 17.784 -6.835 1.00 0.00 H new ATOM 0 HD21 LEU A 33 5.758 15.507 -7.509 1.00 0.00 H new ATOM 0 HD22 LEU A 33 4.836 15.663 -5.994 1.00 0.00 H new ATOM 0 HD23 LEU A 33 4.715 14.173 -6.961 1.00 0.00 H new ATOM 463 N GLN A 34 0.920 12.729 -5.981 1.00 0.00 N ATOM 464 CA GLN A 34 1.049 11.592 -5.027 1.00 0.00 C ATOM 465 C GLN A 34 0.898 10.269 -5.783 1.00 0.00 C ATOM 466 O GLN A 34 -0.099 10.024 -6.433 1.00 0.00 O ATOM 467 CB GLN A 34 -0.041 11.694 -3.957 1.00 0.00 C ATOM 468 CG GLN A 34 0.302 12.827 -2.987 1.00 0.00 C ATOM 469 CD GLN A 34 -0.959 13.256 -2.235 1.00 0.00 C ATOM 470 OE1 GLN A 34 -1.603 12.448 -1.594 1.00 0.00 O ATOM 471 NE2 GLN A 34 -1.341 14.502 -2.286 1.00 0.00 N ATOM 0 H GLN A 34 0.013 13.195 -5.982 1.00 0.00 H new ATOM 0 HA GLN A 34 2.029 11.629 -4.552 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -1.008 11.881 -4.424 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -0.125 10.751 -3.417 1.00 0.00 H new ATOM 0 HG2 GLN A 34 1.064 12.497 -2.281 1.00 0.00 H new ATOM 0 HG3 GLN A 34 0.718 13.674 -3.533 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -0.801 15.180 -2.824 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -2.180 14.799 -1.788 1.00 0.00 H new ATOM 480 N VAL A 35 1.881 9.415 -5.703 1.00 0.00 N ATOM 481 CA VAL A 35 1.794 8.109 -6.415 1.00 0.00 C ATOM 482 C VAL A 35 1.321 7.029 -5.439 1.00 0.00 C ATOM 483 O VAL A 35 2.041 6.629 -4.546 1.00 0.00 O ATOM 484 CB VAL A 35 3.173 7.735 -6.964 1.00 0.00 C ATOM 485 CG1 VAL A 35 3.136 6.307 -7.511 1.00 0.00 C ATOM 486 CG2 VAL A 35 3.552 8.700 -8.090 1.00 0.00 C ATOM 0 H VAL A 35 2.741 9.565 -5.175 1.00 0.00 H new ATOM 0 HA VAL A 35 1.086 8.189 -7.240 1.00 0.00 H new ATOM 0 HB VAL A 35 3.911 7.799 -6.164 1.00 0.00 H new ATOM 0 HG11 VAL A 35 4.118 6.041 -7.902 1.00 0.00 H new ATOM 0 HG12 VAL A 35 2.865 5.618 -6.711 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.398 6.243 -8.311 1.00 0.00 H new ATOM 0 HG21 VAL A 35 4.534 8.434 -8.482 1.00 0.00 H new ATOM 0 HG22 VAL A 35 2.813 8.635 -8.889 1.00 0.00 H new ATOM 0 HG23 VAL A 35 3.579 9.718 -7.703 1.00 0.00 H new ATOM 496 N TYR A 36 0.115 6.556 -5.600 1.00 0.00 N ATOM 497 CA TYR A 36 -0.404 5.506 -4.679 1.00 0.00 C ATOM 498 C TYR A 36 0.105 4.134 -5.125 1.00 0.00 C ATOM 499 O TYR A 36 -0.534 3.443 -5.894 1.00 0.00 O ATOM 500 CB TYR A 36 -1.933 5.516 -4.707 1.00 0.00 C ATOM 501 CG TYR A 36 -2.447 6.603 -3.794 1.00 0.00 C ATOM 502 CD1 TYR A 36 -2.613 6.351 -2.427 1.00 0.00 C ATOM 503 CD2 TYR A 36 -2.758 7.864 -4.315 1.00 0.00 C ATOM 504 CE1 TYR A 36 -3.092 7.360 -1.582 1.00 0.00 C ATOM 505 CE2 TYR A 36 -3.237 8.873 -3.471 1.00 0.00 C ATOM 506 CZ TYR A 36 -3.403 8.621 -2.104 1.00 0.00 C ATOM 507 OH TYR A 36 -3.874 9.617 -1.273 1.00 0.00 O ATOM 0 H TYR A 36 -0.533 6.852 -6.330 1.00 0.00 H new ATOM 0 HA TYR A 36 -0.056 5.709 -3.666 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -2.287 5.683 -5.724 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -2.319 4.547 -4.390 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -2.372 5.379 -2.024 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -2.628 8.059 -5.369 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -3.221 7.165 -0.528 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -3.478 9.845 -3.874 1.00 0.00 H new ATOM 0 HH TYR A 36 -4.039 10.429 -1.796 1.00 0.00 H new ATOM 517 N ASN A 37 1.252 3.735 -4.647 1.00 0.00 N ATOM 518 CA ASN A 37 1.801 2.408 -5.043 1.00 0.00 C ATOM 519 C ASN A 37 1.234 1.328 -4.120 1.00 0.00 C ATOM 520 O ASN A 37 1.557 1.263 -2.951 1.00 0.00 O ATOM 521 CB ASN A 37 3.326 2.431 -4.928 1.00 0.00 C ATOM 522 CG ASN A 37 3.727 2.745 -3.485 1.00 0.00 C ATOM 523 OD1 ASN A 37 3.806 1.859 -2.658 1.00 0.00 O ATOM 524 ND2 ASN A 37 3.986 3.978 -3.146 1.00 0.00 N ATOM 0 H ASN A 37 1.832 4.270 -4.000 1.00 0.00 H new ATOM 0 HA ASN A 37 1.520 2.190 -6.073 1.00 0.00 H new ATOM 0 HB2 ASN A 37 3.738 1.468 -5.229 1.00 0.00 H new ATOM 0 HB3 ASN A 37 3.740 3.180 -5.603 1.00 0.00 H new ATOM 0 HD21 ASN A 37 4.255 4.197 -2.187 1.00 0.00 H new ATOM 0 HD22 ASN A 37 3.920 4.722 -3.840 1.00 0.00 H new ATOM 531 N LYS A 38 0.389 0.479 -4.637 1.00 0.00 N ATOM 532 CA LYS A 38 -0.201 -0.595 -3.791 1.00 0.00 C ATOM 533 C LYS A 38 -0.684 -1.738 -4.683 1.00 0.00 C ATOM 534 O LYS A 38 -0.986 -1.550 -5.844 1.00 0.00 O ATOM 535 CB LYS A 38 -1.382 -0.029 -2.998 1.00 0.00 C ATOM 536 CG LYS A 38 -1.177 -0.305 -1.507 1.00 0.00 C ATOM 537 CD LYS A 38 -2.424 0.125 -0.733 1.00 0.00 C ATOM 538 CE LYS A 38 -2.371 1.632 -0.475 1.00 0.00 C ATOM 539 NZ LYS A 38 -1.459 1.908 0.671 1.00 0.00 N ATOM 0 H LYS A 38 0.082 0.483 -5.610 1.00 0.00 H new ATOM 0 HA LYS A 38 0.553 -0.969 -3.099 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -1.469 1.044 -3.171 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -2.313 -0.483 -3.338 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -0.984 -1.365 -1.346 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -0.305 0.237 -1.142 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -3.321 -0.126 -1.299 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -2.482 -0.415 0.212 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -2.020 2.152 -1.366 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -3.370 2.010 -0.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -1.600 2.885 1.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -1.667 1.248 1.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -0.472 1.784 0.367 1.00 0.00 H new ATOM 553 N CYS A 39 -0.762 -2.922 -4.146 1.00 0.00 N ATOM 554 CA CYS A 39 -1.229 -4.082 -4.958 1.00 0.00 C ATOM 555 C CYS A 39 -2.741 -3.982 -5.149 1.00 0.00 C ATOM 556 O CYS A 39 -3.443 -3.428 -4.325 1.00 0.00 O ATOM 557 CB CYS A 39 -0.888 -5.388 -4.237 1.00 0.00 C ATOM 558 SG CYS A 39 -1.541 -5.339 -2.551 1.00 0.00 S ATOM 0 H CYS A 39 -0.523 -3.139 -3.178 1.00 0.00 H new ATOM 0 HA CYS A 39 -0.734 -4.071 -5.929 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -1.312 -6.235 -4.777 1.00 0.00 H new ATOM 0 HB3 CYS A 39 0.192 -5.532 -4.215 1.00 0.00 H new ATOM 563 N TRP A 40 -3.252 -4.496 -6.233 1.00 0.00 N ATOM 564 CA TRP A 40 -4.711 -4.409 -6.473 1.00 0.00 C ATOM 565 C TRP A 40 -5.167 -5.600 -7.322 1.00 0.00 C ATOM 566 O TRP A 40 -4.371 -6.268 -7.955 1.00 0.00 O ATOM 567 CB TRP A 40 -4.999 -3.106 -7.211 1.00 0.00 C ATOM 568 CG TRP A 40 -6.347 -2.607 -6.831 1.00 0.00 C ATOM 569 CD1 TRP A 40 -7.507 -3.086 -7.317 1.00 0.00 C ATOM 570 CD2 TRP A 40 -6.692 -1.546 -5.899 1.00 0.00 C ATOM 571 NE1 TRP A 40 -8.553 -2.384 -6.744 1.00 0.00 N ATOM 572 CE2 TRP A 40 -8.099 -1.422 -5.861 1.00 0.00 C ATOM 573 CE3 TRP A 40 -5.926 -0.687 -5.093 1.00 0.00 C ATOM 574 CZ2 TRP A 40 -8.728 -0.478 -5.048 1.00 0.00 C ATOM 575 CZ3 TRP A 40 -6.553 0.264 -4.273 1.00 0.00 C ATOM 576 CH2 TRP A 40 -7.952 0.369 -4.251 1.00 0.00 C ATOM 0 H TRP A 40 -2.719 -4.972 -6.961 1.00 0.00 H new ATOM 0 HA TRP A 40 -5.250 -4.429 -5.526 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -4.242 -2.362 -6.965 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -4.950 -3.267 -8.288 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -7.605 -3.886 -8.036 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -9.538 -2.555 -6.948 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -4.848 -0.759 -5.105 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -9.805 -0.402 -5.035 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -5.955 0.918 -3.656 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -8.429 1.103 -3.619 1.00 0.00 H new ATOM 587 N LYS A 41 -6.444 -5.873 -7.336 1.00 0.00 N ATOM 588 CA LYS A 41 -6.956 -7.019 -8.137 1.00 0.00 C ATOM 589 C LYS A 41 -7.352 -6.531 -9.533 1.00 0.00 C ATOM 590 O LYS A 41 -7.531 -5.351 -9.762 1.00 0.00 O ATOM 591 CB LYS A 41 -8.181 -7.617 -7.442 1.00 0.00 C ATOM 592 CG LYS A 41 -7.881 -7.806 -5.955 1.00 0.00 C ATOM 593 CD LYS A 41 -9.174 -7.664 -5.150 1.00 0.00 C ATOM 594 CE LYS A 41 -9.652 -9.046 -4.704 1.00 0.00 C ATOM 595 NZ LYS A 41 -9.767 -9.077 -3.219 1.00 0.00 N ATOM 0 H LYS A 41 -7.155 -5.350 -6.826 1.00 0.00 H new ATOM 0 HA LYS A 41 -6.178 -7.778 -8.224 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -9.042 -6.960 -7.570 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -8.440 -8.573 -7.896 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -7.440 -8.788 -5.784 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -7.151 -7.067 -5.624 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -9.006 -7.028 -4.281 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -9.941 -7.180 -5.755 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -10.616 -9.273 -5.159 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -8.952 -9.811 -5.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -10.092 -10.017 -2.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -8.839 -8.878 -2.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -10.451 -8.357 -2.909 1.00 0.00 H new ATOM 609 N PHE A 42 -7.497 -7.432 -10.467 1.00 0.00 N ATOM 610 CA PHE A 42 -7.888 -7.023 -11.844 1.00 0.00 C ATOM 611 C PHE A 42 -9.399 -6.806 -11.889 1.00 0.00 C ATOM 612 O PHE A 42 -9.898 -5.986 -12.633 1.00 0.00 O ATOM 613 CB PHE A 42 -7.499 -8.125 -12.833 1.00 0.00 C ATOM 614 CG PHE A 42 -7.581 -7.591 -14.243 1.00 0.00 C ATOM 615 CD1 PHE A 42 -6.548 -6.795 -14.754 1.00 0.00 C ATOM 616 CD2 PHE A 42 -8.690 -7.894 -15.041 1.00 0.00 C ATOM 617 CE1 PHE A 42 -6.624 -6.303 -16.062 1.00 0.00 C ATOM 618 CE2 PHE A 42 -8.767 -7.401 -16.349 1.00 0.00 C ATOM 619 CZ PHE A 42 -7.735 -6.606 -16.860 1.00 0.00 C ATOM 0 H PHE A 42 -7.361 -8.434 -10.334 1.00 0.00 H new ATOM 0 HA PHE A 42 -7.376 -6.100 -12.114 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -6.488 -8.475 -12.624 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -8.163 -8.982 -12.718 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -5.692 -6.561 -14.138 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -9.487 -8.508 -14.648 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -5.827 -5.690 -16.456 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -9.623 -7.634 -16.964 1.00 0.00 H new ATOM 0 HZ PHE A 42 -7.795 -6.226 -17.869 1.00 0.00 H new ATOM 629 N GLU A 43 -10.131 -7.539 -11.095 1.00 0.00 N ATOM 630 CA GLU A 43 -11.609 -7.378 -11.091 1.00 0.00 C ATOM 631 C GLU A 43 -11.973 -6.029 -10.470 1.00 0.00 C ATOM 632 O GLU A 43 -12.970 -5.427 -10.812 1.00 0.00 O ATOM 633 CB GLU A 43 -12.245 -8.507 -10.277 1.00 0.00 C ATOM 634 CG GLU A 43 -13.764 -8.476 -10.461 1.00 0.00 C ATOM 635 CD GLU A 43 -14.418 -9.442 -9.471 1.00 0.00 C ATOM 636 OE1 GLU A 43 -13.728 -9.899 -8.576 1.00 0.00 O ATOM 637 OE2 GLU A 43 -15.599 -9.706 -9.626 1.00 0.00 O ATOM 0 H GLU A 43 -9.768 -8.241 -10.450 1.00 0.00 H new ATOM 0 HA GLU A 43 -11.982 -7.418 -12.115 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -11.849 -9.470 -10.599 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -11.993 -8.396 -9.222 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -14.140 -7.465 -10.301 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -14.023 -8.755 -11.482 1.00 0.00 H new ATOM 644 N HIS A 44 -11.171 -5.548 -9.561 1.00 0.00 N ATOM 645 CA HIS A 44 -11.472 -4.237 -8.925 1.00 0.00 C ATOM 646 C HIS A 44 -10.646 -3.146 -9.608 1.00 0.00 C ATOM 647 O HIS A 44 -10.434 -2.081 -9.063 1.00 0.00 O ATOM 648 CB HIS A 44 -11.120 -4.293 -7.436 1.00 0.00 C ATOM 649 CG HIS A 44 -12.090 -5.195 -6.723 1.00 0.00 C ATOM 650 ND1 HIS A 44 -12.294 -5.123 -5.355 1.00 0.00 N ATOM 651 CD2 HIS A 44 -12.920 -6.190 -7.175 1.00 0.00 C ATOM 652 CE1 HIS A 44 -13.215 -6.049 -5.033 1.00 0.00 C ATOM 653 NE2 HIS A 44 -13.630 -6.728 -6.106 1.00 0.00 N ATOM 0 H HIS A 44 -10.321 -6.006 -9.232 1.00 0.00 H new ATOM 0 HA HIS A 44 -12.533 -4.014 -9.033 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -10.102 -4.661 -7.306 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -11.154 -3.292 -7.006 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -13.009 -6.507 -8.204 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -13.575 -6.222 -4.030 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -14.319 -7.479 -6.135 1.00 0.00 H new ATOM 661 N CYS A 45 -10.176 -3.404 -10.799 1.00 0.00 N ATOM 662 CA CYS A 45 -9.365 -2.379 -11.516 1.00 0.00 C ATOM 663 C CYS A 45 -10.263 -1.593 -12.473 1.00 0.00 C ATOM 664 O CYS A 45 -10.065 -1.598 -13.672 1.00 0.00 O ATOM 665 CB CYS A 45 -8.255 -3.071 -12.311 1.00 0.00 C ATOM 666 SG CYS A 45 -6.804 -1.992 -12.389 1.00 0.00 S ATOM 0 H CYS A 45 -10.318 -4.278 -11.305 1.00 0.00 H new ATOM 0 HA CYS A 45 -8.922 -1.696 -10.791 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -7.992 -4.018 -11.840 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -8.604 -3.302 -13.317 1.00 0.00 H new ATOM 671 N ASN A 46 -11.251 -0.917 -11.954 1.00 0.00 N ATOM 672 CA ASN A 46 -12.162 -0.131 -12.836 1.00 0.00 C ATOM 673 C ASN A 46 -12.279 1.299 -12.302 1.00 0.00 C ATOM 674 O ASN A 46 -11.658 1.658 -11.323 1.00 0.00 O ATOM 675 CB ASN A 46 -13.548 -0.784 -12.853 1.00 0.00 C ATOM 676 CG ASN A 46 -13.805 -1.487 -11.519 1.00 0.00 C ATOM 677 OD1 ASN A 46 -14.467 -0.948 -10.653 1.00 0.00 O ATOM 678 ND2 ASN A 46 -13.306 -2.675 -11.316 1.00 0.00 N ATOM 0 H ASN A 46 -11.467 -0.874 -10.958 1.00 0.00 H new ATOM 0 HA ASN A 46 -11.758 -0.110 -13.848 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -14.314 -0.029 -13.030 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -13.612 -1.501 -13.671 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -13.471 -3.153 -10.430 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -12.751 -3.126 -12.043 1.00 0.00 H new ATOM 685 N PHE A 47 -13.074 2.116 -12.938 1.00 0.00 N ATOM 686 CA PHE A 47 -13.232 3.520 -12.465 1.00 0.00 C ATOM 687 C PHE A 47 -14.321 3.570 -11.392 1.00 0.00 C ATOM 688 O PHE A 47 -15.282 4.304 -11.500 1.00 0.00 O ATOM 689 CB PHE A 47 -13.631 4.416 -13.641 1.00 0.00 C ATOM 690 CG PHE A 47 -12.949 5.756 -13.506 1.00 0.00 C ATOM 691 CD1 PHE A 47 -12.859 6.376 -12.254 1.00 0.00 C ATOM 692 CD2 PHE A 47 -12.406 6.381 -14.636 1.00 0.00 C ATOM 693 CE1 PHE A 47 -12.227 7.618 -12.131 1.00 0.00 C ATOM 694 CE2 PHE A 47 -11.774 7.624 -14.512 1.00 0.00 C ATOM 695 CZ PHE A 47 -11.684 8.242 -13.260 1.00 0.00 C ATOM 0 H PHE A 47 -13.620 1.872 -13.764 1.00 0.00 H new ATOM 0 HA PHE A 47 -12.289 3.873 -12.047 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -13.349 3.945 -14.583 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -14.713 4.547 -13.662 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -13.278 5.895 -11.382 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -12.475 5.904 -15.603 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -12.158 8.095 -11.165 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -11.356 8.106 -15.383 1.00 0.00 H new ATOM 0 HZ PHE A 47 -11.196 9.201 -13.165 1.00 0.00 H new ATOM 705 N ASN A 48 -14.177 2.789 -10.357 1.00 0.00 N ATOM 706 CA ASN A 48 -15.200 2.781 -9.276 1.00 0.00 C ATOM 707 C ASN A 48 -14.691 1.929 -8.113 1.00 0.00 C ATOM 708 O ASN A 48 -14.894 2.249 -6.959 1.00 0.00 O ATOM 709 CB ASN A 48 -16.506 2.192 -9.816 1.00 0.00 C ATOM 710 CG ASN A 48 -17.451 1.883 -8.654 1.00 0.00 C ATOM 711 OD1 ASN A 48 -18.356 2.644 -8.373 1.00 0.00 O ATOM 712 ND2 ASN A 48 -17.281 0.789 -7.964 1.00 0.00 N ATOM 0 H ASN A 48 -13.392 2.154 -10.214 1.00 0.00 H new ATOM 0 HA ASN A 48 -15.382 3.799 -8.930 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -16.977 2.895 -10.503 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -16.300 1.283 -10.381 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -17.908 0.572 -7.189 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -16.522 0.150 -8.200 1.00 0.00 H new ATOM 719 N ASP A 49 -14.024 0.846 -8.410 1.00 0.00 N ATOM 720 CA ASP A 49 -13.494 -0.025 -7.324 1.00 0.00 C ATOM 721 C ASP A 49 -12.197 0.576 -6.781 1.00 0.00 C ATOM 722 O ASP A 49 -11.710 0.191 -5.738 1.00 0.00 O ATOM 723 CB ASP A 49 -13.217 -1.424 -7.877 1.00 0.00 C ATOM 724 CG ASP A 49 -14.224 -2.414 -7.289 1.00 0.00 C ATOM 725 OD1 ASP A 49 -14.673 -2.180 -6.179 1.00 0.00 O ATOM 726 OD2 ASP A 49 -14.528 -3.387 -7.958 1.00 0.00 O ATOM 0 H ASP A 49 -13.824 0.528 -9.358 1.00 0.00 H new ATOM 0 HA ASP A 49 -14.229 -0.094 -6.522 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -13.290 -1.418 -8.965 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -12.201 -1.731 -7.627 1.00 0.00 H new ATOM 731 N VAL A 50 -11.635 1.522 -7.485 1.00 0.00 N ATOM 732 CA VAL A 50 -10.372 2.155 -7.015 1.00 0.00 C ATOM 733 C VAL A 50 -10.666 3.587 -6.564 1.00 0.00 C ATOM 734 O VAL A 50 -10.195 4.034 -5.538 1.00 0.00 O ATOM 735 CB VAL A 50 -9.358 2.180 -8.159 1.00 0.00 C ATOM 736 CG1 VAL A 50 -8.186 3.092 -7.787 1.00 0.00 C ATOM 737 CG2 VAL A 50 -8.837 0.764 -8.409 1.00 0.00 C ATOM 0 H VAL A 50 -11.998 1.883 -8.367 1.00 0.00 H new ATOM 0 HA VAL A 50 -9.963 1.584 -6.182 1.00 0.00 H new ATOM 0 HB VAL A 50 -9.841 2.557 -9.061 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -7.464 3.108 -8.604 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -8.554 4.102 -7.607 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -7.704 2.716 -6.885 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -8.114 0.781 -9.225 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -8.356 0.388 -7.506 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -9.669 0.112 -8.675 1.00 0.00 H new ATOM 747 N THR A 51 -11.447 4.306 -7.323 1.00 0.00 N ATOM 748 CA THR A 51 -11.776 5.706 -6.936 1.00 0.00 C ATOM 749 C THR A 51 -12.593 5.688 -5.645 1.00 0.00 C ATOM 750 O THR A 51 -12.720 6.685 -4.962 1.00 0.00 O ATOM 751 CB THR A 51 -12.593 6.366 -8.050 1.00 0.00 C ATOM 752 OG1 THR A 51 -13.253 5.363 -8.809 1.00 0.00 O ATOM 753 CG2 THR A 51 -11.662 7.168 -8.962 1.00 0.00 C ATOM 0 H THR A 51 -11.871 3.984 -8.193 1.00 0.00 H new ATOM 0 HA THR A 51 -10.857 6.271 -6.781 1.00 0.00 H new ATOM 0 HB THR A 51 -13.332 7.035 -7.610 1.00 0.00 H new ATOM 0 HG1 THR A 51 -12.690 5.104 -9.568 1.00 0.00 H new ATOM 0 HG21 THR A 51 -12.245 7.637 -9.755 1.00 0.00 H new ATOM 0 HG22 THR A 51 -11.156 7.938 -8.379 1.00 0.00 H new ATOM 0 HG23 THR A 51 -10.921 6.501 -9.403 1.00 0.00 H new ATOM 761 N THR A 52 -13.146 4.557 -5.300 1.00 0.00 N ATOM 762 CA THR A 52 -13.949 4.470 -4.051 1.00 0.00 C ATOM 763 C THR A 52 -13.093 3.843 -2.951 1.00 0.00 C ATOM 764 O THR A 52 -13.053 4.321 -1.835 1.00 0.00 O ATOM 765 CB THR A 52 -15.180 3.599 -4.297 1.00 0.00 C ATOM 766 OG1 THR A 52 -16.068 4.273 -5.176 1.00 0.00 O ATOM 767 CG2 THR A 52 -15.882 3.323 -2.968 1.00 0.00 C ATOM 0 H THR A 52 -13.075 3.689 -5.831 1.00 0.00 H new ATOM 0 HA THR A 52 -14.267 5.467 -3.747 1.00 0.00 H new ATOM 0 HB THR A 52 -14.875 2.654 -4.747 1.00 0.00 H new ATOM 0 HG1 THR A 52 -16.014 3.871 -6.068 1.00 0.00 H new ATOM 0 HG21 THR A 52 -16.760 2.702 -3.143 1.00 0.00 H new ATOM 0 HG22 THR A 52 -15.198 2.804 -2.296 1.00 0.00 H new ATOM 0 HG23 THR A 52 -16.189 4.266 -2.516 1.00 0.00 H new ATOM 775 N ARG A 53 -12.402 2.780 -3.258 1.00 0.00 N ATOM 776 CA ARG A 53 -11.545 2.133 -2.229 1.00 0.00 C ATOM 777 C ARG A 53 -10.554 3.166 -1.697 1.00 0.00 C ATOM 778 O ARG A 53 -10.134 3.113 -0.558 1.00 0.00 O ATOM 779 CB ARG A 53 -10.781 0.963 -2.856 1.00 0.00 C ATOM 780 CG ARG A 53 -11.712 -0.244 -2.989 1.00 0.00 C ATOM 781 CD ARG A 53 -11.548 -1.152 -1.770 1.00 0.00 C ATOM 782 NE ARG A 53 -12.891 -1.579 -1.285 1.00 0.00 N ATOM 783 CZ ARG A 53 -12.991 -2.527 -0.393 1.00 0.00 C ATOM 784 NH1 ARG A 53 -12.633 -3.745 -0.692 1.00 0.00 N ATOM 785 NH2 ARG A 53 -13.449 -2.256 0.798 1.00 0.00 N ATOM 0 H ARG A 53 -12.395 2.333 -4.175 1.00 0.00 H new ATOM 0 HA ARG A 53 -12.164 1.757 -1.414 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -10.397 1.249 -3.835 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -9.920 0.705 -2.239 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -12.747 0.089 -3.071 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -11.481 -0.796 -3.900 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -10.949 -2.025 -2.031 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -11.015 -0.624 -0.979 1.00 0.00 H new ATOM 0 HE ARG A 53 -13.732 -1.131 -1.650 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -12.275 -3.957 -1.623 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -12.711 -4.485 0.005 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -13.729 -1.304 1.032 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -13.527 -2.997 1.495 1.00 0.00 H new ATOM 799 N LEU A 54 -10.181 4.111 -2.517 1.00 0.00 N ATOM 800 CA LEU A 54 -9.222 5.154 -2.071 1.00 0.00 C ATOM 801 C LEU A 54 -9.997 6.375 -1.570 1.00 0.00 C ATOM 802 O LEU A 54 -9.477 7.194 -0.839 1.00 0.00 O ATOM 803 CB LEU A 54 -8.337 5.556 -3.249 1.00 0.00 C ATOM 804 CG LEU A 54 -7.610 4.321 -3.778 1.00 0.00 C ATOM 805 CD1 LEU A 54 -6.961 4.643 -5.125 1.00 0.00 C ATOM 806 CD2 LEU A 54 -6.532 3.902 -2.779 1.00 0.00 C ATOM 0 H LEU A 54 -10.503 4.203 -3.481 1.00 0.00 H new ATOM 0 HA LEU A 54 -8.601 4.765 -1.264 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -8.942 6.002 -4.038 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -7.616 6.311 -2.936 1.00 0.00 H new ATOM 0 HG LEU A 54 -8.324 3.508 -3.908 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -6.443 3.760 -5.500 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -7.730 4.942 -5.837 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -6.247 5.457 -4.999 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -6.011 3.021 -3.154 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -5.820 4.717 -2.650 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -6.995 3.669 -1.820 1.00 0.00 H new ATOM 818 N ARG A 55 -11.239 6.499 -1.957 1.00 0.00 N ATOM 819 CA ARG A 55 -12.055 7.661 -1.504 1.00 0.00 C ATOM 820 C ARG A 55 -11.584 8.937 -2.207 1.00 0.00 C ATOM 821 O ARG A 55 -11.445 9.978 -1.596 1.00 0.00 O ATOM 822 CB ARG A 55 -11.917 7.829 0.012 1.00 0.00 C ATOM 823 CG ARG A 55 -12.108 6.472 0.694 1.00 0.00 C ATOM 824 CD ARG A 55 -13.558 6.333 1.158 1.00 0.00 C ATOM 825 NE ARG A 55 -13.585 6.032 2.616 1.00 0.00 N ATOM 826 CZ ARG A 55 -13.610 7.007 3.482 1.00 0.00 C ATOM 827 NH1 ARG A 55 -14.745 7.568 3.800 1.00 0.00 N ATOM 828 NH2 ARG A 55 -12.501 7.425 4.026 1.00 0.00 N ATOM 0 H ARG A 55 -11.724 5.843 -2.569 1.00 0.00 H new ATOM 0 HA ARG A 55 -13.100 7.480 -1.755 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -10.936 8.236 0.256 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -12.657 8.540 0.379 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -11.858 5.667 0.003 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -11.433 6.383 1.545 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -14.106 7.253 0.955 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -14.054 5.538 0.602 1.00 0.00 H new ATOM 0 HE ARG A 55 -13.584 5.064 2.937 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -15.612 7.244 3.371 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -14.765 8.330 4.477 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -11.614 6.989 3.774 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -12.521 8.188 4.703 1.00 0.00 H new ATOM 842 N GLU A 56 -11.347 8.868 -3.489 1.00 0.00 N ATOM 843 CA GLU A 56 -10.895 10.079 -4.234 1.00 0.00 C ATOM 844 C GLU A 56 -11.528 10.080 -5.628 1.00 0.00 C ATOM 845 O GLU A 56 -12.106 9.100 -6.056 1.00 0.00 O ATOM 846 CB GLU A 56 -9.369 10.063 -4.364 1.00 0.00 C ATOM 847 CG GLU A 56 -8.773 11.197 -3.525 1.00 0.00 C ATOM 848 CD GLU A 56 -8.810 10.813 -2.044 1.00 0.00 C ATOM 849 OE1 GLU A 56 -8.053 9.937 -1.660 1.00 0.00 O ATOM 850 OE2 GLU A 56 -9.593 11.402 -1.320 1.00 0.00 O ATOM 0 H GLU A 56 -11.447 8.024 -4.054 1.00 0.00 H new ATOM 0 HA GLU A 56 -11.200 10.975 -3.693 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -8.975 9.103 -4.030 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -9.081 10.179 -5.409 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -7.746 11.392 -3.835 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -9.335 12.117 -3.687 1.00 0.00 H new ATOM 857 N ASN A 57 -11.427 11.170 -6.340 1.00 0.00 N ATOM 858 CA ASN A 57 -12.029 11.227 -7.703 1.00 0.00 C ATOM 859 C ASN A 57 -10.943 11.553 -8.731 1.00 0.00 C ATOM 860 O ASN A 57 -10.674 10.780 -9.629 1.00 0.00 O ATOM 861 CB ASN A 57 -13.107 12.313 -7.740 1.00 0.00 C ATOM 862 CG ASN A 57 -14.477 11.664 -7.939 1.00 0.00 C ATOM 863 OD1 ASN A 57 -15.343 12.229 -8.578 1.00 0.00 O ATOM 864 ND2 ASN A 57 -14.714 10.492 -7.416 1.00 0.00 N ATOM 0 H ASN A 57 -10.955 12.022 -6.037 1.00 0.00 H new ATOM 0 HA ASN A 57 -12.476 10.262 -7.941 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -13.095 12.884 -6.812 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -12.904 13.015 -8.549 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -15.625 10.051 -7.544 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -13.988 10.017 -6.880 1.00 0.00 H new ATOM 871 N GLU A 58 -10.319 12.692 -8.609 1.00 0.00 N ATOM 872 CA GLU A 58 -9.254 13.065 -9.583 1.00 0.00 C ATOM 873 C GLU A 58 -8.040 12.153 -9.390 1.00 0.00 C ATOM 874 O GLU A 58 -7.115 12.479 -8.675 1.00 0.00 O ATOM 875 CB GLU A 58 -8.839 14.520 -9.352 1.00 0.00 C ATOM 876 CG GLU A 58 -9.405 15.395 -10.470 1.00 0.00 C ATOM 877 CD GLU A 58 -8.597 15.173 -11.751 1.00 0.00 C ATOM 878 OE1 GLU A 58 -7.436 14.813 -11.640 1.00 0.00 O ATOM 879 OE2 GLU A 58 -9.152 15.367 -12.819 1.00 0.00 O ATOM 0 H GLU A 58 -10.500 13.380 -7.878 1.00 0.00 H new ATOM 0 HA GLU A 58 -9.636 12.951 -10.598 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -9.205 14.865 -8.385 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -7.752 14.600 -9.328 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -10.453 15.151 -10.642 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -9.366 16.445 -10.180 1.00 0.00 H new ATOM 886 N LEU A 59 -8.038 11.012 -10.024 1.00 0.00 N ATOM 887 CA LEU A 59 -6.883 10.081 -9.878 1.00 0.00 C ATOM 888 C LEU A 59 -6.969 8.986 -10.942 1.00 0.00 C ATOM 889 O LEU A 59 -8.005 8.768 -11.539 1.00 0.00 O ATOM 890 CB LEU A 59 -6.913 9.445 -8.484 1.00 0.00 C ATOM 891 CG LEU A 59 -8.122 8.514 -8.364 1.00 0.00 C ATOM 892 CD1 LEU A 59 -7.706 7.224 -7.655 1.00 0.00 C ATOM 893 CD2 LEU A 59 -9.219 9.207 -7.553 1.00 0.00 C ATOM 0 H LEU A 59 -8.785 10.685 -10.636 1.00 0.00 H new ATOM 0 HA LEU A 59 -5.953 10.635 -10.005 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -5.994 8.886 -8.309 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.964 10.222 -7.721 1.00 0.00 H new ATOM 0 HG LEU A 59 -8.497 8.277 -9.360 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -8.567 6.562 -7.570 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -6.923 6.729 -8.230 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -7.331 7.461 -6.659 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -10.081 8.545 -7.467 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -8.842 9.443 -6.558 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -9.517 10.127 -8.056 1.00 0.00 H new ATOM 905 N THR A 60 -5.891 8.294 -11.183 1.00 0.00 N ATOM 906 CA THR A 60 -5.915 7.211 -12.206 1.00 0.00 C ATOM 907 C THR A 60 -5.539 5.883 -11.545 1.00 0.00 C ATOM 908 O THR A 60 -5.536 5.761 -10.337 1.00 0.00 O ATOM 909 CB THR A 60 -4.912 7.532 -13.316 1.00 0.00 C ATOM 910 OG1 THR A 60 -4.594 8.917 -13.279 1.00 0.00 O ATOM 911 CG2 THR A 60 -5.523 7.183 -14.673 1.00 0.00 C ATOM 0 H THR A 60 -4.994 8.431 -10.716 1.00 0.00 H new ATOM 0 HA THR A 60 -6.915 7.136 -12.634 1.00 0.00 H new ATOM 0 HB THR A 60 -4.005 6.947 -13.167 1.00 0.00 H new ATOM 0 HG1 THR A 60 -3.950 9.124 -13.988 1.00 0.00 H new ATOM 0 HG21 THR A 60 -4.808 7.412 -15.464 1.00 0.00 H new ATOM 0 HG22 THR A 60 -5.766 6.121 -14.700 1.00 0.00 H new ATOM 0 HG23 THR A 60 -6.431 7.767 -14.824 1.00 0.00 H new ATOM 919 N TYR A 61 -5.223 4.888 -12.326 1.00 0.00 N ATOM 920 CA TYR A 61 -4.850 3.572 -11.735 1.00 0.00 C ATOM 921 C TYR A 61 -4.500 2.590 -12.854 1.00 0.00 C ATOM 922 O TYR A 61 -5.330 2.244 -13.672 1.00 0.00 O ATOM 923 CB TYR A 61 -6.028 3.026 -10.926 1.00 0.00 C ATOM 924 CG TYR A 61 -7.125 2.582 -11.865 1.00 0.00 C ATOM 925 CD1 TYR A 61 -7.946 3.534 -12.483 1.00 0.00 C ATOM 926 CD2 TYR A 61 -7.318 1.220 -12.121 1.00 0.00 C ATOM 927 CE1 TYR A 61 -8.960 3.123 -13.357 1.00 0.00 C ATOM 928 CE2 TYR A 61 -8.332 0.808 -12.995 1.00 0.00 C ATOM 929 CZ TYR A 61 -9.153 1.760 -13.612 1.00 0.00 C ATOM 930 OH TYR A 61 -10.152 1.355 -14.473 1.00 0.00 O ATOM 0 H TYR A 61 -5.207 4.928 -13.345 1.00 0.00 H new ATOM 0 HA TYR A 61 -3.987 3.698 -11.081 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -5.702 2.188 -10.310 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -6.404 3.793 -10.249 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -7.797 4.585 -12.285 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -6.685 0.486 -11.645 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -9.593 3.857 -13.834 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -8.481 -0.243 -13.193 1.00 0.00 H new ATOM 0 HH TYR A 61 -9.946 0.460 -14.815 1.00 0.00 H new ATOM 940 N TYR A 62 -3.278 2.133 -12.900 1.00 0.00 N ATOM 941 CA TYR A 62 -2.888 1.172 -13.969 1.00 0.00 C ATOM 942 C TYR A 62 -2.522 -0.176 -13.342 1.00 0.00 C ATOM 943 O TYR A 62 -1.538 -0.298 -12.639 1.00 0.00 O ATOM 944 CB TYR A 62 -1.683 1.719 -14.735 1.00 0.00 C ATOM 945 CG TYR A 62 -1.400 0.833 -15.925 1.00 0.00 C ATOM 946 CD1 TYR A 62 -2.292 0.803 -17.005 1.00 0.00 C ATOM 947 CD2 TYR A 62 -0.248 0.039 -15.947 1.00 0.00 C ATOM 948 CE1 TYR A 62 -2.030 -0.020 -18.107 1.00 0.00 C ATOM 949 CE2 TYR A 62 0.014 -0.785 -17.049 1.00 0.00 C ATOM 950 CZ TYR A 62 -0.877 -0.815 -18.128 1.00 0.00 C ATOM 951 OH TYR A 62 -0.620 -1.627 -19.214 1.00 0.00 O ATOM 0 H TYR A 62 -2.536 2.383 -12.246 1.00 0.00 H new ATOM 0 HA TYR A 62 -3.725 1.038 -14.654 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -1.881 2.739 -15.066 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -0.811 1.759 -14.082 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -3.182 1.415 -16.987 1.00 0.00 H new ATOM 0 HD2 TYR A 62 0.439 0.062 -15.114 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -2.717 -0.042 -18.940 1.00 0.00 H new ATOM 0 HE2 TYR A 62 0.904 -1.397 -17.066 1.00 0.00 H new ATOM 0 HH TYR A 62 0.220 -2.111 -19.069 1.00 0.00 H new ATOM 961 N CYS A 63 -3.303 -1.190 -13.595 1.00 0.00 N ATOM 962 CA CYS A 63 -2.996 -2.530 -13.021 1.00 0.00 C ATOM 963 C CYS A 63 -1.852 -3.163 -13.812 1.00 0.00 C ATOM 964 O CYS A 63 -1.628 -2.842 -14.961 1.00 0.00 O ATOM 965 CB CYS A 63 -4.235 -3.422 -13.110 1.00 0.00 C ATOM 966 SG CYS A 63 -5.297 -3.130 -11.672 1.00 0.00 S ATOM 0 H CYS A 63 -4.141 -1.148 -14.175 1.00 0.00 H new ATOM 0 HA CYS A 63 -2.705 -2.423 -11.976 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -4.783 -3.211 -14.028 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -3.939 -4.470 -13.150 1.00 0.00 H new ATOM 971 N CYS A 64 -1.122 -4.058 -13.207 1.00 0.00 N ATOM 972 CA CYS A 64 0.010 -4.703 -13.933 1.00 0.00 C ATOM 973 C CYS A 64 0.096 -6.183 -13.555 1.00 0.00 C ATOM 974 O CYS A 64 -0.459 -6.616 -12.565 1.00 0.00 O ATOM 975 CB CYS A 64 1.318 -4.002 -13.562 1.00 0.00 C ATOM 976 SG CYS A 64 1.848 -2.955 -14.940 1.00 0.00 S ATOM 0 H CYS A 64 -1.258 -4.370 -12.246 1.00 0.00 H new ATOM 0 HA CYS A 64 -0.158 -4.619 -15.007 1.00 0.00 H new ATOM 0 HB2 CYS A 64 1.179 -3.399 -12.665 1.00 0.00 H new ATOM 0 HB3 CYS A 64 2.087 -4.740 -13.334 1.00 0.00 H new ATOM 981 N LYS A 65 0.791 -6.964 -14.340 1.00 0.00 N ATOM 982 CA LYS A 65 0.914 -8.417 -14.033 1.00 0.00 C ATOM 983 C LYS A 65 2.392 -8.815 -14.013 1.00 0.00 C ATOM 984 O LYS A 65 2.730 -9.981 -14.074 1.00 0.00 O ATOM 985 CB LYS A 65 0.187 -9.226 -15.109 1.00 0.00 C ATOM 986 CG LYS A 65 -1.324 -9.092 -14.921 1.00 0.00 C ATOM 987 CD LYS A 65 -1.988 -10.449 -15.161 1.00 0.00 C ATOM 988 CE LYS A 65 -3.509 -10.287 -15.128 1.00 0.00 C ATOM 989 NZ LYS A 65 -4.147 -11.628 -15.004 1.00 0.00 N ATOM 0 H LYS A 65 1.279 -6.656 -15.181 1.00 0.00 H new ATOM 0 HA LYS A 65 0.470 -8.620 -13.058 1.00 0.00 H new ATOM 0 HB2 LYS A 65 0.473 -8.872 -16.099 1.00 0.00 H new ATOM 0 HB3 LYS A 65 0.479 -10.274 -15.049 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -1.546 -8.739 -13.914 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -1.724 -8.352 -15.614 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -1.676 -10.853 -16.124 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -1.671 -11.161 -14.399 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -3.800 -9.655 -14.289 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -3.853 -9.791 -16.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -5.181 -11.520 -14.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -3.878 -12.217 -15.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -3.828 -12.085 -14.126 1.00 0.00 H new ATOM 1003 N LYS A 66 3.275 -7.858 -13.931 1.00 0.00 N ATOM 1004 CA LYS A 66 4.728 -8.190 -13.911 1.00 0.00 C ATOM 1005 C LYS A 66 5.275 -8.011 -12.492 1.00 0.00 C ATOM 1006 O LYS A 66 4.879 -7.118 -11.771 1.00 0.00 O ATOM 1007 CB LYS A 66 5.476 -7.259 -14.869 1.00 0.00 C ATOM 1008 CG LYS A 66 6.710 -7.977 -15.420 1.00 0.00 C ATOM 1009 CD LYS A 66 6.446 -8.406 -16.866 1.00 0.00 C ATOM 1010 CE LYS A 66 6.179 -9.912 -16.912 1.00 0.00 C ATOM 1011 NZ LYS A 66 5.539 -10.264 -18.211 1.00 0.00 N ATOM 0 H LYS A 66 3.055 -6.864 -13.877 1.00 0.00 H new ATOM 0 HA LYS A 66 4.869 -9.224 -14.225 1.00 0.00 H new ATOM 0 HB2 LYS A 66 4.821 -6.959 -15.687 1.00 0.00 H new ATOM 0 HB3 LYS A 66 5.774 -6.348 -14.349 1.00 0.00 H new ATOM 0 HG2 LYS A 66 7.577 -7.318 -15.377 1.00 0.00 H new ATOM 0 HG3 LYS A 66 6.941 -8.848 -14.807 1.00 0.00 H new ATOM 0 HD2 LYS A 66 5.591 -7.862 -17.267 1.00 0.00 H new ATOM 0 HD3 LYS A 66 7.303 -8.159 -17.492 1.00 0.00 H new ATOM 0 HE2 LYS A 66 7.113 -10.461 -16.794 1.00 0.00 H new ATOM 0 HE3 LYS A 66 5.531 -10.203 -16.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 5.357 -11.288 -18.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 4.640 -9.750 -18.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 6.172 -10.001 -18.993 1.00 0.00 H new ATOM 1025 N ASP A 67 6.185 -8.856 -12.087 1.00 0.00 N ATOM 1026 CA ASP A 67 6.759 -8.735 -10.717 1.00 0.00 C ATOM 1027 C ASP A 67 7.328 -7.328 -10.524 1.00 0.00 C ATOM 1028 O ASP A 67 8.399 -7.010 -11.001 1.00 0.00 O ATOM 1029 CB ASP A 67 7.874 -9.767 -10.539 1.00 0.00 C ATOM 1030 CG ASP A 67 8.676 -9.885 -11.837 1.00 0.00 C ATOM 1031 OD1 ASP A 67 9.193 -8.874 -12.283 1.00 0.00 O ATOM 1032 OD2 ASP A 67 8.759 -10.984 -12.361 1.00 0.00 O ATOM 0 H ASP A 67 6.555 -9.625 -12.646 1.00 0.00 H new ATOM 0 HA ASP A 67 5.978 -8.914 -9.978 1.00 0.00 H new ATOM 0 HB2 ASP A 67 8.530 -9.471 -9.720 1.00 0.00 H new ATOM 0 HB3 ASP A 67 7.449 -10.735 -10.273 1.00 0.00 H new ATOM 1037 N LEU A 68 6.611 -6.487 -9.830 1.00 0.00 N ATOM 1038 CA LEU A 68 7.086 -5.096 -9.594 1.00 0.00 C ATOM 1039 C LEU A 68 6.940 -4.280 -10.877 1.00 0.00 C ATOM 1040 O LEU A 68 7.911 -3.856 -11.474 1.00 0.00 O ATOM 1041 CB LEU A 68 8.550 -5.114 -9.149 1.00 0.00 C ATOM 1042 CG LEU A 68 8.720 -6.129 -8.018 1.00 0.00 C ATOM 1043 CD1 LEU A 68 10.201 -6.250 -7.654 1.00 0.00 C ATOM 1044 CD2 LEU A 68 7.932 -5.660 -6.792 1.00 0.00 C ATOM 0 H LEU A 68 5.707 -6.708 -9.412 1.00 0.00 H new ATOM 0 HA LEU A 68 6.484 -4.639 -8.809 1.00 0.00 H new ATOM 0 HB2 LEU A 68 9.194 -5.376 -9.988 1.00 0.00 H new ATOM 0 HB3 LEU A 68 8.852 -4.122 -8.812 1.00 0.00 H new ATOM 0 HG LEU A 68 8.347 -7.100 -8.344 1.00 0.00 H new ATOM 0 HD11 LEU A 68 10.320 -6.974 -6.848 1.00 0.00 H new ATOM 0 HD12 LEU A 68 10.764 -6.583 -8.526 1.00 0.00 H new ATOM 0 HD13 LEU A 68 10.576 -5.280 -7.328 1.00 0.00 H new ATOM 0 HD21 LEU A 68 8.052 -6.382 -5.984 1.00 0.00 H new ATOM 0 HD22 LEU A 68 8.306 -4.689 -6.469 1.00 0.00 H new ATOM 0 HD23 LEU A 68 6.876 -5.575 -7.049 1.00 0.00 H new ATOM 1056 N CYS A 69 5.728 -4.053 -11.304 1.00 0.00 N ATOM 1057 CA CYS A 69 5.503 -3.260 -12.543 1.00 0.00 C ATOM 1058 C CYS A 69 5.379 -1.779 -12.179 1.00 0.00 C ATOM 1059 O CYS A 69 5.737 -0.908 -12.946 1.00 0.00 O ATOM 1060 CB CYS A 69 4.213 -3.732 -13.220 1.00 0.00 C ATOM 1061 SG CYS A 69 3.811 -2.627 -14.593 1.00 0.00 S ATOM 0 H CYS A 69 4.880 -4.385 -10.844 1.00 0.00 H new ATOM 0 HA CYS A 69 6.342 -3.398 -13.225 1.00 0.00 H new ATOM 0 HB2 CYS A 69 4.334 -4.752 -13.584 1.00 0.00 H new ATOM 0 HB3 CYS A 69 3.396 -3.745 -12.499 1.00 0.00 H new ATOM 1066 N ASN A 70 4.875 -1.490 -11.010 1.00 0.00 N ATOM 1067 CA ASN A 70 4.728 -0.067 -10.590 1.00 0.00 C ATOM 1068 C ASN A 70 6.074 0.453 -10.078 1.00 0.00 C ATOM 1069 O ASN A 70 6.322 0.498 -8.890 1.00 0.00 O ATOM 1070 CB ASN A 70 3.686 0.031 -9.473 1.00 0.00 C ATOM 1071 CG ASN A 70 3.672 1.452 -8.908 1.00 0.00 C ATOM 1072 OD1 ASN A 70 4.335 2.330 -9.425 1.00 0.00 O ATOM 1073 ND2 ASN A 70 2.938 1.718 -7.862 1.00 0.00 N ATOM 0 H ASN A 70 4.558 -2.178 -10.327 1.00 0.00 H new ATOM 0 HA ASN A 70 4.405 0.532 -11.441 1.00 0.00 H new ATOM 0 HB2 ASN A 70 2.700 -0.228 -9.858 1.00 0.00 H new ATOM 0 HB3 ASN A 70 3.917 -0.683 -8.683 1.00 0.00 H new ATOM 0 HD21 ASN A 70 2.921 2.663 -7.478 1.00 0.00 H new ATOM 0 HD22 ASN A 70 2.382 0.981 -7.428 1.00 0.00 H new ATOM 1080 N PHE A 71 6.946 0.844 -10.967 1.00 0.00 N ATOM 1081 CA PHE A 71 8.275 1.358 -10.533 1.00 0.00 C ATOM 1082 C PHE A 71 8.416 2.826 -10.941 1.00 0.00 C ATOM 1083 O PHE A 71 9.481 3.275 -11.317 1.00 0.00 O ATOM 1084 CB PHE A 71 9.377 0.535 -11.202 1.00 0.00 C ATOM 1085 CG PHE A 71 9.122 0.468 -12.688 1.00 0.00 C ATOM 1086 CD1 PHE A 71 8.333 -0.561 -13.218 1.00 0.00 C ATOM 1087 CD2 PHE A 71 9.669 1.437 -13.537 1.00 0.00 C ATOM 1088 CE1 PHE A 71 8.095 -0.622 -14.597 1.00 0.00 C ATOM 1089 CE2 PHE A 71 9.431 1.377 -14.915 1.00 0.00 C ATOM 1090 CZ PHE A 71 8.644 0.347 -15.445 1.00 0.00 C ATOM 0 H PHE A 71 6.795 0.829 -11.976 1.00 0.00 H new ATOM 0 HA PHE A 71 8.362 1.275 -9.450 1.00 0.00 H new ATOM 0 HB2 PHE A 71 10.350 0.986 -11.009 1.00 0.00 H new ATOM 0 HB3 PHE A 71 9.402 -0.470 -10.781 1.00 0.00 H new ATOM 0 HD1 PHE A 71 7.908 -1.307 -12.563 1.00 0.00 H new ATOM 0 HD2 PHE A 71 10.275 2.232 -13.128 1.00 0.00 H new ATOM 0 HE1 PHE A 71 7.488 -1.416 -15.006 1.00 0.00 H new ATOM 0 HE2 PHE A 71 9.854 2.125 -15.569 1.00 0.00 H new ATOM 0 HZ PHE A 71 8.461 0.300 -16.508 1.00 0.00 H new ATOM 1100 N ASN A 72 7.352 3.579 -10.869 1.00 0.00 N ATOM 1101 CA ASN A 72 7.431 5.016 -11.253 1.00 0.00 C ATOM 1102 C ASN A 72 7.813 5.131 -12.730 1.00 0.00 C ATOM 1103 O ASN A 72 8.859 5.648 -13.072 1.00 0.00 O ATOM 1104 CB ASN A 72 8.490 5.714 -10.396 1.00 0.00 C ATOM 1105 CG ASN A 72 8.329 7.230 -10.515 1.00 0.00 C ATOM 1106 OD1 ASN A 72 8.870 7.842 -11.416 1.00 0.00 O ATOM 1107 ND2 ASN A 72 7.603 7.868 -9.639 1.00 0.00 N ATOM 0 H ASN A 72 6.433 3.261 -10.561 1.00 0.00 H new ATOM 0 HA ASN A 72 6.462 5.489 -11.092 1.00 0.00 H new ATOM 0 HB2 ASN A 72 8.389 5.408 -9.355 1.00 0.00 H new ATOM 0 HB3 ASN A 72 9.488 5.418 -10.720 1.00 0.00 H new ATOM 0 HD21 ASN A 72 7.489 8.879 -9.710 1.00 0.00 H new ATOM 0 HD22 ASN A 72 7.149 7.356 -8.883 1.00 0.00 H new ATOM 1114 N GLU A 73 6.976 4.652 -13.608 1.00 0.00 N ATOM 1115 CA GLU A 73 7.292 4.734 -15.062 1.00 0.00 C ATOM 1116 C GLU A 73 6.300 3.877 -15.849 1.00 0.00 C ATOM 1117 O GLU A 73 6.646 2.845 -16.387 1.00 0.00 O ATOM 1118 CB GLU A 73 8.714 4.222 -15.304 1.00 0.00 C ATOM 1119 CG GLU A 73 9.625 5.394 -15.669 1.00 0.00 C ATOM 1120 CD GLU A 73 11.073 5.043 -15.325 1.00 0.00 C ATOM 1121 OE1 GLU A 73 11.395 5.033 -14.147 1.00 0.00 O ATOM 1122 OE2 GLU A 73 11.836 4.788 -16.242 1.00 0.00 O ATOM 0 H GLU A 73 6.086 4.207 -13.382 1.00 0.00 H new ATOM 0 HA GLU A 73 7.218 5.770 -15.392 1.00 0.00 H new ATOM 0 HB2 GLU A 73 9.088 3.722 -14.411 1.00 0.00 H new ATOM 0 HB3 GLU A 73 8.714 3.484 -16.106 1.00 0.00 H new ATOM 0 HG2 GLU A 73 9.537 5.619 -16.732 1.00 0.00 H new ATOM 0 HG3 GLU A 73 9.318 6.289 -15.127 1.00 0.00 H new ATOM 1129 N GLN A 74 5.066 4.296 -15.920 1.00 0.00 N ATOM 1130 CA GLN A 74 4.053 3.506 -16.672 1.00 0.00 C ATOM 1131 C GLN A 74 3.150 4.456 -17.462 1.00 0.00 C ATOM 1132 O GLN A 74 3.152 4.461 -18.677 1.00 0.00 O ATOM 1133 CB GLN A 74 3.204 2.697 -15.688 1.00 0.00 C ATOM 1134 CG GLN A 74 2.799 1.371 -16.334 1.00 0.00 C ATOM 1135 CD GLN A 74 4.050 0.533 -16.604 1.00 0.00 C ATOM 1136 OE1 GLN A 74 4.470 -0.239 -15.766 1.00 0.00 O ATOM 1137 NE2 GLN A 74 4.669 0.653 -17.747 1.00 0.00 N ATOM 0 H GLN A 74 4.716 5.152 -15.489 1.00 0.00 H new ATOM 0 HA GLN A 74 4.558 2.828 -17.360 1.00 0.00 H new ATOM 0 HB2 GLN A 74 3.767 2.511 -14.773 1.00 0.00 H new ATOM 0 HB3 GLN A 74 2.316 3.263 -15.407 1.00 0.00 H new ATOM 0 HG2 GLN A 74 2.119 0.828 -15.678 1.00 0.00 H new ATOM 0 HG3 GLN A 74 2.264 1.556 -17.266 1.00 0.00 H new ATOM 0 HE21 GLN A 74 4.317 1.301 -18.452 1.00 0.00 H new ATOM 0 HE22 GLN A 74 5.504 0.099 -17.935 1.00 0.00 H new ATOM 1146 N LEU A 75 2.381 5.260 -16.782 1.00 0.00 N ATOM 1147 CA LEU A 75 1.481 6.209 -17.495 1.00 0.00 C ATOM 1148 C LEU A 75 2.320 7.309 -18.152 1.00 0.00 C ATOM 1149 O LEU A 75 1.972 7.831 -19.192 1.00 0.00 O ATOM 1150 CB LEU A 75 0.507 6.838 -16.495 1.00 0.00 C ATOM 1151 CG LEU A 75 -0.547 5.807 -16.088 1.00 0.00 C ATOM 1152 CD1 LEU A 75 0.082 4.778 -15.145 1.00 0.00 C ATOM 1153 CD2 LEU A 75 -1.701 6.513 -15.372 1.00 0.00 C ATOM 0 H LEU A 75 2.337 5.301 -15.764 1.00 0.00 H new ATOM 0 HA LEU A 75 0.919 5.673 -18.260 1.00 0.00 H new ATOM 0 HB2 LEU A 75 1.048 7.187 -15.615 1.00 0.00 H new ATOM 0 HB3 LEU A 75 0.026 7.709 -16.939 1.00 0.00 H new ATOM 0 HG LEU A 75 -0.924 5.303 -16.978 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -0.669 4.043 -14.855 1.00 0.00 H new ATOM 0 HD12 LEU A 75 0.905 4.275 -15.652 1.00 0.00 H new ATOM 0 HD13 LEU A 75 0.459 5.282 -14.255 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -2.453 5.779 -15.082 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -1.323 7.017 -14.482 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -2.150 7.247 -16.041 1.00 0.00 H new