USER MOD reduce.3.24.130724 H: found=0, std=0, add=562, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 556 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 GLN : amide:sc= -0.0266 X(o=-0.027,f=-0.027) USER MOD Single : A 1 GLN N :NH3+ -170:sc= -0.0476 (180deg=-0.161) USER MOD Single : A 7 TYR OH : rot 151:sc= 0.543 USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 CYS SG : rot 180:sc= -2.34! USER MOD Single : A 12 THR OG1 : rot -38:sc= 0.484 USER MOD Single : A 14 CYS SG : rot 180:sc= 0 USER MOD Single : A 15 HIS : no HE2:sc= 0.154 K(o=0.15,f=-3.5!) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc=-0.00471 USER MOD Single : A 26 HIS : no HE2:sc= 0.557 K(o=0.56,f=-3.4!) USER MOD Single : A 27 ASN : amide:sc= -0.403 K(o=-0.4,f=-3.2!) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000648) USER MOD Single : A 41 ASN :FLIP amide:sc= -0.537 F(o=-4.6!,f=-0.54) USER MOD Single : A 44 LYS NZ :NH3+ 144:sc= 1.09 (180deg=0.396) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ -150:sc= 0.402 (180deg=-0.446) USER MOD Single : A 48 THR OG1 : rot 80:sc= 0.476 USER MOD Single : A 51 ASN :FLIP amide:sc= 0.263 F(o=-1.7!,f=0.26) USER MOD Single : A 53 MET CE :methyl -176:sc= -2.12 (180deg=-2.24) USER MOD Single : A 58 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot -4:sc= 0.96 USER MOD Single : A 68 LYS NZ :NH3+ -142:sc= 1.08 (180deg=0.169) USER MOD Single : A 74 MET CE :methyl -151:sc=-0.00401 (180deg=-0.108) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ -155:sc= 1.25 (180deg=0.995) USER MOD Single : A 78 LYS NZ :NH3+ -117:sc= 1.82 (180deg=0.683) USER MOD ----------------------------------------------------------------- ATOM 44 N GLN A 1 7.404 -6.647 -11.267 1.00 10.00 N ATOM 45 CA GLN A 1 8.713 -7.301 -11.287 1.00 10.00 C ATOM 46 C GLN A 1 9.580 -6.896 -10.088 1.00 10.00 C ATOM 47 O GLN A 1 10.515 -7.608 -9.733 1.00 10.00 O ATOM 48 CB GLN A 1 9.424 -6.951 -12.610 1.00 10.00 C ATOM 49 CG GLN A 1 9.760 -8.200 -13.435 1.00 10.00 C ATOM 50 CD GLN A 1 10.741 -9.137 -12.739 1.00 10.00 C ATOM 51 OE1 GLN A 1 10.417 -10.274 -12.427 1.00 10.00 O ATOM 52 NE2 GLN A 1 11.967 -8.686 -12.510 1.00 10.00 N ATOM 0 H1 GLN A 1 6.792 -7.073 -11.992 1.00 10.00 H new ATOM 0 H2 GLN A 1 6.968 -6.771 -10.331 1.00 10.00 H new ATOM 0 H3 GLN A 1 7.520 -5.632 -11.464 1.00 10.00 H new ATOM 0 HA GLN A 1 8.562 -8.378 -11.215 1.00 10.00 H new ATOM 0 HB2 GLN A 1 8.788 -6.289 -13.198 1.00 10.00 H new ATOM 0 HB3 GLN A 1 10.341 -6.403 -12.394 1.00 10.00 H new ATOM 0 HG2 GLN A 1 8.840 -8.743 -13.650 1.00 10.00 H new ATOM 0 HG3 GLN A 1 10.180 -7.892 -14.393 1.00 10.00 H new ATOM 0 HE21 GLN A 1 12.219 -7.734 -12.777 1.00 10.00 H new ATOM 0 HE22 GLN A 1 12.658 -9.291 -12.066 1.00 10.00 H new ATOM 61 N ASP A 2 9.263 -5.750 -9.481 1.00 10.00 N ATOM 62 CA ASP A 2 9.851 -5.283 -8.245 1.00 10.00 C ATOM 63 C ASP A 2 8.736 -4.658 -7.396 1.00 10.00 C ATOM 64 O ASP A 2 8.068 -3.715 -7.820 1.00 10.00 O ATOM 65 CB ASP A 2 10.981 -4.301 -8.580 1.00 10.00 C ATOM 66 CG ASP A 2 11.701 -3.780 -7.350 1.00 10.00 C ATOM 67 OD1 ASP A 2 11.184 -4.008 -6.234 1.00 10.00 O ATOM 68 OD2 ASP A 2 12.745 -3.133 -7.559 1.00 10.00 O ATOM 0 H ASP A 2 8.566 -5.108 -9.857 1.00 10.00 H new ATOM 0 HA ASP A 2 10.294 -6.092 -7.664 1.00 10.00 H new ATOM 0 HB2 ASP A 2 11.701 -4.794 -9.233 1.00 10.00 H new ATOM 0 HB3 ASP A 2 10.569 -3.459 -9.137 1.00 10.00 H new ATOM 73 N ALA A 3 8.538 -5.189 -6.196 1.00 10.00 N ATOM 74 CA ALA A 3 7.714 -4.607 -5.150 1.00 10.00 C ATOM 75 C ALA A 3 7.943 -3.097 -4.962 1.00 10.00 C ATOM 76 O ALA A 3 6.979 -2.337 -4.817 1.00 10.00 O ATOM 77 CB ALA A 3 8.024 -5.394 -3.890 1.00 10.00 C ATOM 0 H ALA A 3 8.965 -6.072 -5.916 1.00 10.00 H new ATOM 0 HA ALA A 3 6.660 -4.678 -5.417 1.00 10.00 H new ATOM 0 HB1 ALA A 3 7.433 -5.003 -3.062 1.00 10.00 H new ATOM 0 HB2 ALA A 3 7.778 -6.444 -4.047 1.00 10.00 H new ATOM 0 HB3 ALA A 3 9.084 -5.301 -3.654 1.00 10.00 H new ATOM 83 N GLU A 4 9.202 -2.645 -5.018 1.00 10.00 N ATOM 84 CA GLU A 4 9.509 -1.220 -5.024 1.00 10.00 C ATOM 85 C GLU A 4 8.859 -0.527 -6.222 1.00 10.00 C ATOM 86 O GLU A 4 8.177 0.481 -6.059 1.00 10.00 O ATOM 87 CB GLU A 4 11.022 -0.973 -4.961 1.00 10.00 C ATOM 88 CG GLU A 4 11.338 0.536 -5.038 1.00 10.00 C ATOM 89 CD GLU A 4 12.749 0.915 -4.598 1.00 10.00 C ATOM 90 OE1 GLU A 4 13.553 -0.002 -4.328 1.00 10.00 O ATOM 91 OE2 GLU A 4 12.994 2.139 -4.523 1.00 10.00 O ATOM 0 H GLU A 4 10.021 -3.251 -5.060 1.00 10.00 H new ATOM 0 HA GLU A 4 9.082 -0.777 -4.124 1.00 10.00 H new ATOM 0 HB2 GLU A 4 11.424 -1.386 -4.036 1.00 10.00 H new ATOM 0 HB3 GLU A 4 11.514 -1.494 -5.782 1.00 10.00 H new ATOM 0 HG2 GLU A 4 11.189 0.873 -6.064 1.00 10.00 H new ATOM 0 HG3 GLU A 4 10.622 1.075 -4.418 1.00 10.00 H new ATOM 98 N ALA A 5 8.992 -1.098 -7.422 1.00 10.00 N ATOM 99 CA ALA A 5 8.437 -0.509 -8.635 1.00 10.00 C ATOM 100 C ALA A 5 6.908 -0.548 -8.617 1.00 10.00 C ATOM 101 O ALA A 5 6.270 0.391 -9.085 1.00 10.00 O ATOM 102 CB ALA A 5 8.998 -1.203 -9.874 1.00 10.00 C ATOM 0 H ALA A 5 9.486 -1.977 -7.576 1.00 10.00 H new ATOM 0 HA ALA A 5 8.735 0.539 -8.673 1.00 10.00 H new ATOM 0 HB1 ALA A 5 8.572 -0.750 -10.769 1.00 10.00 H new ATOM 0 HB2 ALA A 5 10.082 -1.094 -9.893 1.00 10.00 H new ATOM 0 HB3 ALA A 5 8.741 -2.262 -9.846 1.00 10.00 H new ATOM 108 N ILE A 6 6.306 -1.558 -7.979 1.00 10.00 N ATOM 109 CA ILE A 6 4.855 -1.608 -7.851 1.00 10.00 C ATOM 110 C ILE A 6 4.416 -0.420 -7.000 1.00 10.00 C ATOM 111 O ILE A 6 3.610 0.386 -7.462 1.00 10.00 O ATOM 112 CB ILE A 6 4.426 -2.928 -7.180 1.00 10.00 C ATOM 113 CG1 ILE A 6 4.487 -4.082 -8.188 1.00 10.00 C ATOM 114 CG2 ILE A 6 2.996 -2.843 -6.606 1.00 10.00 C ATOM 115 CD1 ILE A 6 4.601 -5.437 -7.483 1.00 10.00 C ATOM 0 H ILE A 6 6.799 -2.341 -7.550 1.00 10.00 H new ATOM 0 HA ILE A 6 4.388 -1.561 -8.835 1.00 10.00 H new ATOM 0 HB ILE A 6 5.120 -3.109 -6.359 1.00 10.00 H new ATOM 0 HG12 ILE A 6 3.593 -4.069 -8.812 1.00 10.00 H new ATOM 0 HG13 ILE A 6 5.341 -3.943 -8.851 1.00 10.00 H new ATOM 0 HG21 ILE A 6 2.733 -3.794 -6.142 1.00 10.00 H new ATOM 0 HG22 ILE A 6 2.950 -2.050 -5.859 1.00 10.00 H new ATOM 0 HG23 ILE A 6 2.293 -2.625 -7.410 1.00 10.00 H new ATOM 0 HD11 ILE A 6 4.642 -6.232 -8.227 1.00 10.00 H new ATOM 0 HD12 ILE A 6 5.508 -5.458 -6.879 1.00 10.00 H new ATOM 0 HD13 ILE A 6 3.734 -5.587 -6.840 1.00 10.00 H new ATOM 127 N TYR A 7 4.981 -0.227 -5.801 1.00 10.00 N ATOM 128 CA TYR A 7 4.496 0.886 -4.990 1.00 10.00 C ATOM 129 C TYR A 7 4.891 2.247 -5.582 1.00 10.00 C ATOM 130 O TYR A 7 4.078 3.163 -5.646 1.00 10.00 O ATOM 131 CB TYR A 7 4.820 0.721 -3.497 1.00 10.00 C ATOM 132 CG TYR A 7 6.072 1.419 -3.026 1.00 10.00 C ATOM 133 CD1 TYR A 7 6.073 2.815 -2.833 1.00 10.00 C ATOM 134 CD2 TYR A 7 7.244 0.682 -2.818 1.00 10.00 C ATOM 135 CE1 TYR A 7 7.282 3.488 -2.597 1.00 10.00 C ATOM 136 CE2 TYR A 7 8.450 1.357 -2.574 1.00 10.00 C ATOM 137 CZ TYR A 7 8.473 2.755 -2.488 1.00 10.00 C ATOM 138 OH TYR A 7 9.653 3.402 -2.297 1.00 10.00 O ATOM 0 H TYR A 7 5.728 -0.790 -5.394 1.00 10.00 H new ATOM 0 HA TYR A 7 3.407 0.864 -5.032 1.00 10.00 H new ATOM 0 HB2 TYR A 7 3.976 1.093 -2.916 1.00 10.00 H new ATOM 0 HB3 TYR A 7 4.913 -0.343 -3.278 1.00 10.00 H new ATOM 0 HD1 TYR A 7 5.145 3.366 -2.867 1.00 10.00 H new ATOM 0 HD2 TYR A 7 7.220 -0.397 -2.845 1.00 10.00 H new ATOM 0 HE1 TYR A 7 7.295 4.564 -2.500 1.00 10.00 H new ATOM 0 HE2 TYR A 7 9.365 0.796 -2.452 1.00 10.00 H new ATOM 0 HH TYR A 7 10.265 2.824 -1.795 1.00 10.00 H new ATOM 148 N ASN A 8 6.126 2.352 -6.067 1.00 10.00 N ATOM 149 CA ASN A 8 6.733 3.551 -6.627 1.00 10.00 C ATOM 150 C ASN A 8 6.103 3.960 -7.965 1.00 10.00 C ATOM 151 O ASN A 8 6.223 5.113 -8.362 1.00 10.00 O ATOM 152 CB ASN A 8 8.243 3.311 -6.727 1.00 10.00 C ATOM 153 CG ASN A 8 9.050 4.551 -7.082 1.00 10.00 C ATOM 154 OD1 ASN A 8 8.787 5.649 -6.609 1.00 10.00 O ATOM 155 ND2 ASN A 8 10.077 4.381 -7.903 1.00 10.00 N ATOM 0 H ASN A 8 6.764 1.556 -6.079 1.00 10.00 H new ATOM 0 HA ASN A 8 6.545 4.400 -5.970 1.00 10.00 H new ATOM 0 HB2 ASN A 8 8.601 2.919 -5.775 1.00 10.00 H new ATOM 0 HB3 ASN A 8 8.428 2.543 -7.478 1.00 10.00 H new ATOM 0 HD21 ASN A 8 10.667 5.175 -8.153 1.00 10.00 H new ATOM 0 HD22 ASN A 8 10.277 3.457 -8.285 1.00 10.00 H new ATOM 162 N LYS A 9 5.452 3.034 -8.678 1.00 10.00 N ATOM 163 CA LYS A 9 4.618 3.340 -9.839 1.00 10.00 C ATOM 164 C LYS A 9 3.123 3.496 -9.492 1.00 10.00 C ATOM 165 O LYS A 9 2.411 4.203 -10.203 1.00 10.00 O ATOM 166 CB LYS A 9 4.836 2.271 -10.912 1.00 10.00 C ATOM 167 CG LYS A 9 4.420 2.758 -12.311 1.00 10.00 C ATOM 168 CD LYS A 9 5.641 2.892 -13.235 1.00 10.00 C ATOM 169 CE LYS A 9 6.319 1.523 -13.409 1.00 10.00 C ATOM 170 NZ LYS A 9 6.752 1.273 -14.797 1.00 10.00 N ATOM 0 H LYS A 9 5.492 2.038 -8.459 1.00 10.00 H new ATOM 0 HA LYS A 9 4.927 4.313 -10.222 1.00 10.00 H new ATOM 0 HB2 LYS A 9 5.887 1.983 -10.927 1.00 10.00 H new ATOM 0 HB3 LYS A 9 4.265 1.379 -10.655 1.00 10.00 H new ATOM 0 HG2 LYS A 9 3.706 2.059 -12.746 1.00 10.00 H new ATOM 0 HG3 LYS A 9 3.914 3.720 -12.229 1.00 10.00 H new ATOM 0 HD2 LYS A 9 5.332 3.281 -14.206 1.00 10.00 H new ATOM 0 HD3 LYS A 9 6.349 3.607 -12.816 1.00 10.00 H new ATOM 0 HE2 LYS A 9 7.183 1.464 -12.747 1.00 10.00 H new ATOM 0 HE3 LYS A 9 5.628 0.738 -13.102 1.00 10.00 H new ATOM 0 HZ1 LYS A 9 7.202 0.337 -14.857 1.00 10.00 H new ATOM 0 HZ2 LYS A 9 5.926 1.301 -15.429 1.00 10.00 H new ATOM 0 HZ3 LYS A 9 7.433 2.004 -15.085 1.00 10.00 H new ATOM 184 N ALA A 10 2.631 2.822 -8.444 1.00 10.00 N ATOM 185 CA ALA A 10 1.200 2.722 -8.125 1.00 10.00 C ATOM 186 C ALA A 10 0.811 3.545 -6.890 1.00 10.00 C ATOM 187 O ALA A 10 0.084 4.533 -6.998 1.00 10.00 O ATOM 188 CB ALA A 10 0.799 1.252 -7.969 1.00 10.00 C ATOM 0 H ALA A 10 3.226 2.323 -7.783 1.00 10.00 H new ATOM 0 HA ALA A 10 0.646 3.152 -8.959 1.00 10.00 H new ATOM 0 HB1 ALA A 10 -0.263 1.188 -7.733 1.00 10.00 H new ATOM 0 HB2 ALA A 10 0.996 0.720 -8.900 1.00 10.00 H new ATOM 0 HB3 ALA A 10 1.378 0.800 -7.163 1.00 10.00 H new ATOM 194 N CYS A 11 1.326 3.195 -5.705 1.00 10.00 N ATOM 195 CA CYS A 11 1.081 3.899 -4.443 1.00 10.00 C ATOM 196 C CYS A 11 1.922 5.199 -4.373 1.00 10.00 C ATOM 197 O CYS A 11 2.499 5.549 -3.346 1.00 10.00 O ATOM 198 CB CYS A 11 1.347 2.984 -3.255 1.00 10.00 C ATOM 199 SG CYS A 11 1.359 1.196 -3.575 1.00 10.00 S ATOM 0 H CYS A 11 1.943 2.390 -5.596 1.00 10.00 H new ATOM 0 HA CYS A 11 0.031 4.187 -4.401 1.00 10.00 H new ATOM 0 HB2 CYS A 11 2.311 3.258 -2.826 1.00 10.00 H new ATOM 0 HB3 CYS A 11 0.592 3.187 -2.496 1.00 10.00 H new ATOM 0 HG CYS A 11 1.600 0.559 -2.468 1.00 10.00 H new ATOM 204 N THR A 12 1.995 5.930 -5.488 1.00 10.00 N ATOM 205 CA THR A 12 2.962 7.005 -5.714 1.00 10.00 C ATOM 206 C THR A 12 2.320 8.322 -6.131 1.00 10.00 C ATOM 207 O THR A 12 3.014 9.290 -6.438 1.00 10.00 O ATOM 208 CB THR A 12 3.977 6.534 -6.759 1.00 10.00 C ATOM 209 OG1 THR A 12 5.078 7.402 -6.757 1.00 10.00 O ATOM 210 CG2 THR A 12 3.367 6.516 -8.166 1.00 10.00 C ATOM 0 H THR A 12 1.367 5.786 -6.278 1.00 10.00 H new ATOM 0 HA THR A 12 3.458 7.215 -4.766 1.00 10.00 H new ATOM 0 HB THR A 12 4.282 5.520 -6.500 1.00 10.00 H new ATOM 0 HG1 THR A 12 4.769 8.322 -6.620 1.00 10.00 H new ATOM 0 HG21 THR A 12 4.115 6.177 -8.883 1.00 10.00 H new ATOM 0 HG22 THR A 12 2.514 5.838 -8.184 1.00 10.00 H new ATOM 0 HG23 THR A 12 3.038 7.520 -8.433 1.00 10.00 H new ATOM 218 N VAL A 13 0.991 8.342 -6.151 1.00 10.00 N ATOM 219 CA VAL A 13 0.179 9.435 -6.652 1.00 10.00 C ATOM 220 C VAL A 13 -0.513 10.117 -5.465 1.00 10.00 C ATOM 221 O VAL A 13 -0.366 11.314 -5.237 1.00 10.00 O ATOM 222 CB VAL A 13 -0.814 8.844 -7.664 1.00 10.00 C ATOM 223 CG1 VAL A 13 -1.582 9.979 -8.331 1.00 10.00 C ATOM 224 CG2 VAL A 13 -0.112 8.011 -8.748 1.00 10.00 C ATOM 0 H VAL A 13 0.432 7.563 -5.803 1.00 10.00 H new ATOM 0 HA VAL A 13 0.771 10.198 -7.158 1.00 10.00 H new ATOM 0 HB VAL A 13 -1.488 8.183 -7.119 1.00 10.00 H new ATOM 0 HG11 VAL A 13 -2.289 9.566 -9.051 1.00 10.00 H new ATOM 0 HG12 VAL A 13 -2.124 10.546 -7.574 1.00 10.00 H new ATOM 0 HG13 VAL A 13 -0.883 10.638 -8.846 1.00 10.00 H new ATOM 0 HG21 VAL A 13 -0.855 7.614 -9.440 1.00 10.00 H new ATOM 0 HG22 VAL A 13 0.591 8.641 -9.293 1.00 10.00 H new ATOM 0 HG23 VAL A 13 0.426 7.186 -8.281 1.00 10.00 H new ATOM 234 N CYS A 14 -1.216 9.313 -4.666 1.00 10.00 N ATOM 235 CA CYS A 14 -1.831 9.718 -3.413 1.00 10.00 C ATOM 236 C CYS A 14 -0.779 9.769 -2.290 1.00 10.00 C ATOM 237 O CYS A 14 -0.485 10.832 -1.749 1.00 10.00 O ATOM 238 CB CYS A 14 -2.897 8.699 -3.100 1.00 10.00 C ATOM 239 SG CYS A 14 -4.466 9.025 -3.951 1.00 10.00 S ATOM 0 H CYS A 14 -1.375 8.330 -4.886 1.00 10.00 H new ATOM 0 HA CYS A 14 -2.263 10.715 -3.494 1.00 10.00 H new ATOM 0 HB2 CYS A 14 -2.538 7.709 -3.380 1.00 10.00 H new ATOM 0 HB3 CYS A 14 -3.071 8.683 -2.024 1.00 10.00 H new ATOM 0 HG CYS A 14 -5.330 8.107 -3.634 1.00 10.00 H new ATOM 244 N HIS A 15 -0.204 8.611 -1.953 1.00 10.00 N ATOM 245 CA HIS A 15 0.584 8.357 -0.745 1.00 10.00 C ATOM 246 C HIS A 15 1.992 8.975 -0.744 1.00 10.00 C ATOM 247 O HIS A 15 2.675 8.964 0.283 1.00 10.00 O ATOM 248 CB HIS A 15 0.726 6.840 -0.626 1.00 10.00 C ATOM 249 CG HIS A 15 -0.510 6.127 -0.174 1.00 10.00 C ATOM 250 ND1 HIS A 15 -0.700 5.686 1.104 1.00 10.00 N ATOM 251 CD2 HIS A 15 -1.482 5.575 -0.963 1.00 10.00 C ATOM 252 CE1 HIS A 15 -1.744 4.843 1.084 1.00 10.00 C ATOM 253 NE2 HIS A 15 -2.293 4.774 -0.142 1.00 10.00 N ATOM 0 H HIS A 15 -0.280 7.784 -2.546 1.00 10.00 H new ATOM 0 HA HIS A 15 0.059 8.823 0.089 1.00 10.00 H new ATOM 0 HB2 HIS A 15 1.025 6.440 -1.595 1.00 10.00 H new ATOM 0 HB3 HIS A 15 1.532 6.618 0.073 1.00 10.00 H new ATOM 0 HD1 HIS A 15 -0.150 5.949 1.922 1.00 10.00 H new ATOM 0 HD2 HIS A 15 -1.604 5.728 -2.025 1.00 10.00 H new ATOM 0 HE1 HIS A 15 -2.098 4.291 1.942 1.00 10.00 H new ATOM 261 N SER A 16 2.436 9.485 -1.895 1.00 10.00 N ATOM 262 CA SER A 16 3.741 10.125 -2.028 1.00 10.00 C ATOM 263 C SER A 16 3.730 11.486 -1.326 1.00 10.00 C ATOM 264 O SER A 16 4.602 11.788 -0.513 1.00 10.00 O ATOM 265 CB SER A 16 4.099 10.239 -3.514 1.00 10.00 C ATOM 266 OG SER A 16 5.466 10.568 -3.661 1.00 10.00 O ATOM 0 H SER A 16 1.898 9.464 -2.761 1.00 10.00 H new ATOM 0 HA SER A 16 4.509 9.521 -1.545 1.00 10.00 H new ATOM 0 HB2 SER A 16 3.887 9.297 -4.020 1.00 10.00 H new ATOM 0 HB3 SER A 16 3.481 11.002 -3.988 1.00 10.00 H new ATOM 0 HG SER A 16 5.685 10.637 -4.614 1.00 10.00 H new ATOM 272 N MET A 17 2.690 12.282 -1.608 1.00 10.00 N ATOM 273 CA MET A 17 2.504 13.619 -1.047 1.00 10.00 C ATOM 274 C MET A 17 1.389 13.661 0.016 1.00 10.00 C ATOM 275 O MET A 17 1.538 14.328 1.038 1.00 10.00 O ATOM 276 CB MET A 17 2.227 14.606 -2.195 1.00 10.00 C ATOM 277 CG MET A 17 2.999 15.917 -1.981 1.00 10.00 C ATOM 278 SD MET A 17 4.699 15.902 -2.612 1.00 10.00 S ATOM 279 CE MET A 17 5.358 17.376 -1.816 1.00 10.00 C ATOM 0 H MET A 17 1.943 12.006 -2.245 1.00 10.00 H new ATOM 0 HA MET A 17 3.418 13.909 -0.529 1.00 10.00 H new ATOM 0 HB2 MET A 17 2.518 14.158 -3.145 1.00 10.00 H new ATOM 0 HB3 MET A 17 1.158 14.813 -2.254 1.00 10.00 H new ATOM 0 HG2 MET A 17 2.453 16.728 -2.463 1.00 10.00 H new ATOM 0 HG3 MET A 17 3.023 16.139 -0.914 1.00 10.00 H new ATOM 0 HE1 MET A 17 6.401 17.509 -2.103 1.00 10.00 H new ATOM 0 HE2 MET A 17 4.782 18.247 -2.129 1.00 10.00 H new ATOM 0 HE3 MET A 17 5.291 17.266 -0.734 1.00 10.00 H new ATOM 289 N GLY A 18 0.275 12.960 -0.235 1.00 10.00 N ATOM 290 CA GLY A 18 -0.923 12.940 0.604 1.00 10.00 C ATOM 291 C GLY A 18 -1.999 13.925 0.123 1.00 10.00 C ATOM 292 O GLY A 18 -2.372 14.843 0.847 1.00 10.00 O ATOM 0 H GLY A 18 0.184 12.369 -1.062 1.00 10.00 H new ATOM 0 HA2 GLY A 18 -1.338 11.932 0.615 1.00 10.00 H new ATOM 0 HA3 GLY A 18 -0.647 13.182 1.630 1.00 10.00 H new ATOM 296 N VAL A 19 -2.523 13.727 -1.096 1.00 10.00 N ATOM 297 CA VAL A 19 -3.504 14.641 -1.707 1.00 10.00 C ATOM 298 C VAL A 19 -4.920 14.364 -1.224 1.00 10.00 C ATOM 299 O VAL A 19 -5.580 15.221 -0.644 1.00 10.00 O ATOM 300 CB VAL A 19 -3.412 14.609 -3.245 1.00 10.00 C ATOM 301 CG1 VAL A 19 -4.465 15.529 -3.886 1.00 10.00 C ATOM 302 CG2 VAL A 19 -2.023 15.063 -3.711 1.00 10.00 C ATOM 0 H VAL A 19 -2.280 12.931 -1.686 1.00 10.00 H new ATOM 0 HA VAL A 19 -3.252 15.650 -1.381 1.00 10.00 H new ATOM 0 HB VAL A 19 -3.593 13.580 -3.557 1.00 10.00 H new ATOM 0 HG11 VAL A 19 -4.375 15.485 -4.971 1.00 10.00 H new ATOM 0 HG12 VAL A 19 -5.462 15.202 -3.591 1.00 10.00 H new ATOM 0 HG13 VAL A 19 -4.306 16.554 -3.550 1.00 10.00 H new ATOM 0 HG21 VAL A 19 -1.977 15.034 -4.800 1.00 10.00 H new ATOM 0 HG22 VAL A 19 -1.839 16.081 -3.367 1.00 10.00 H new ATOM 0 HG23 VAL A 19 -1.265 14.397 -3.298 1.00 10.00 H new ATOM 312 N ALA A 20 -5.374 13.128 -1.395 1.00 10.00 N ATOM 313 CA ALA A 20 -6.686 12.672 -0.954 1.00 10.00 C ATOM 314 C ALA A 20 -6.665 12.283 0.532 1.00 10.00 C ATOM 315 O ALA A 20 -7.324 11.340 0.955 1.00 10.00 O ATOM 316 CB ALA A 20 -7.079 11.515 -1.863 1.00 10.00 C ATOM 0 H ALA A 20 -4.828 12.399 -1.854 1.00 10.00 H new ATOM 0 HA ALA A 20 -7.429 13.465 -1.031 1.00 10.00 H new ATOM 0 HB1 ALA A 20 -8.059 11.139 -1.570 1.00 10.00 H new ATOM 0 HB2 ALA A 20 -7.117 11.861 -2.896 1.00 10.00 H new ATOM 0 HB3 ALA A 20 -6.342 10.716 -1.775 1.00 10.00 H new ATOM 322 N GLY A 21 -5.838 12.986 1.308 1.00 10.00 N ATOM 323 CA GLY A 21 -5.567 12.692 2.714 1.00 10.00 C ATOM 324 C GLY A 21 -4.829 11.362 2.929 1.00 10.00 C ATOM 325 O GLY A 21 -4.801 10.842 4.038 1.00 10.00 O ATOM 0 H GLY A 21 -5.325 13.798 0.965 1.00 10.00 H new ATOM 0 HA2 GLY A 21 -4.973 13.501 3.139 1.00 10.00 H new ATOM 0 HA3 GLY A 21 -6.510 12.668 3.261 1.00 10.00 H new ATOM 329 N ALA A 22 -4.225 10.807 1.872 1.00 10.00 N ATOM 330 CA ALA A 22 -3.589 9.496 1.916 1.00 10.00 C ATOM 331 C ALA A 22 -2.405 9.421 2.907 1.00 10.00 C ATOM 332 O ALA A 22 -1.623 10.368 3.007 1.00 10.00 O ATOM 333 CB ALA A 22 -3.168 9.106 0.500 1.00 10.00 C ATOM 0 H ALA A 22 -4.166 11.261 0.960 1.00 10.00 H new ATOM 0 HA ALA A 22 -4.317 8.779 2.296 1.00 10.00 H new ATOM 0 HB1 ALA A 22 -2.690 8.126 0.519 1.00 10.00 H new ATOM 0 HB2 ALA A 22 -4.047 9.069 -0.144 1.00 10.00 H new ATOM 0 HB3 ALA A 22 -2.466 9.844 0.113 1.00 10.00 H new ATOM 339 N PRO A 23 -2.251 8.293 3.623 1.00 10.00 N ATOM 340 CA PRO A 23 -1.234 8.092 4.652 1.00 10.00 C ATOM 341 C PRO A 23 0.160 8.006 4.026 1.00 10.00 C ATOM 342 O PRO A 23 0.334 7.392 2.970 1.00 10.00 O ATOM 343 CB PRO A 23 -1.642 6.791 5.347 1.00 10.00 C ATOM 344 CG PRO A 23 -2.353 6.010 4.262 1.00 10.00 C ATOM 345 CD PRO A 23 -3.090 7.113 3.511 1.00 10.00 C ATOM 0 HA PRO A 23 -1.178 8.918 5.361 1.00 10.00 H new ATOM 0 HB2 PRO A 23 -0.774 6.251 5.726 1.00 10.00 H new ATOM 0 HB3 PRO A 23 -2.296 6.980 6.198 1.00 10.00 H new ATOM 0 HG2 PRO A 23 -1.654 5.475 3.619 1.00 10.00 H new ATOM 0 HG3 PRO A 23 -3.038 5.269 4.674 1.00 10.00 H new ATOM 0 HD2 PRO A 23 -3.244 6.840 2.467 1.00 10.00 H new ATOM 0 HD3 PRO A 23 -4.075 7.290 3.943 1.00 10.00 H new ATOM 353 N LYS A 24 1.163 8.634 4.647 1.00 10.00 N ATOM 354 CA LYS A 24 2.455 8.819 3.987 1.00 10.00 C ATOM 355 C LYS A 24 3.190 7.485 3.827 1.00 10.00 C ATOM 356 O LYS A 24 3.232 6.665 4.748 1.00 10.00 O ATOM 357 CB LYS A 24 3.340 9.835 4.723 1.00 10.00 C ATOM 358 CG LYS A 24 2.692 11.221 4.843 1.00 10.00 C ATOM 359 CD LYS A 24 3.514 12.132 5.774 1.00 10.00 C ATOM 360 CE LYS A 24 3.481 13.597 5.313 1.00 10.00 C ATOM 361 NZ LYS A 24 4.552 13.878 4.332 1.00 10.00 N ATOM 0 H LYS A 24 1.106 9.017 5.591 1.00 10.00 H new ATOM 0 HA LYS A 24 2.247 9.222 2.996 1.00 10.00 H new ATOM 0 HB2 LYS A 24 3.564 9.457 5.721 1.00 10.00 H new ATOM 0 HB3 LYS A 24 4.290 9.929 4.197 1.00 10.00 H new ATOM 0 HG2 LYS A 24 2.614 11.677 3.856 1.00 10.00 H new ATOM 0 HG3 LYS A 24 1.677 11.121 5.228 1.00 10.00 H new ATOM 0 HD2 LYS A 24 3.123 12.061 6.789 1.00 10.00 H new ATOM 0 HD3 LYS A 24 4.546 11.784 5.805 1.00 10.00 H new ATOM 0 HE2 LYS A 24 2.511 13.818 4.868 1.00 10.00 H new ATOM 0 HE3 LYS A 24 3.594 14.254 6.175 1.00 10.00 H new ATOM 0 HZ1 LYS A 24 4.503 14.875 4.040 1.00 10.00 H new ATOM 0 HZ2 LYS A 24 5.478 13.689 4.766 1.00 10.00 H new ATOM 0 HZ3 LYS A 24 4.429 13.267 3.499 1.00 10.00 H new ATOM 375 N SER A 25 3.814 7.286 2.659 1.00 10.00 N ATOM 376 CA SER A 25 4.646 6.111 2.386 1.00 10.00 C ATOM 377 C SER A 25 5.651 5.804 3.519 1.00 10.00 C ATOM 378 O SER A 25 5.874 4.648 3.862 1.00 10.00 O ATOM 379 CB SER A 25 5.336 6.291 1.028 1.00 10.00 C ATOM 380 OG SER A 25 5.901 5.060 0.624 1.00 10.00 O ATOM 0 H SER A 25 3.755 7.937 1.876 1.00 10.00 H new ATOM 0 HA SER A 25 3.999 5.235 2.345 1.00 10.00 H new ATOM 0 HB2 SER A 25 4.617 6.636 0.285 1.00 10.00 H new ATOM 0 HB3 SER A 25 6.111 7.054 1.099 1.00 10.00 H new ATOM 0 HG SER A 25 6.341 5.172 -0.244 1.00 10.00 H new ATOM 386 N HIS A 26 6.211 6.851 4.139 1.00 10.00 N ATOM 387 CA HIS A 26 7.171 6.776 5.243 1.00 10.00 C ATOM 388 C HIS A 26 6.642 7.476 6.515 1.00 10.00 C ATOM 389 O HIS A 26 7.095 8.559 6.879 1.00 10.00 O ATOM 390 CB HIS A 26 8.514 7.352 4.760 1.00 10.00 C ATOM 391 CG HIS A 26 8.417 8.719 4.119 1.00 10.00 C ATOM 392 ND1 HIS A 26 7.748 9.804 4.635 1.00 10.00 N ATOM 393 CD2 HIS A 26 8.938 9.097 2.910 1.00 10.00 C ATOM 394 CE1 HIS A 26 7.853 10.811 3.756 1.00 10.00 C ATOM 395 NE2 HIS A 26 8.565 10.428 2.686 1.00 10.00 N ATOM 0 H HIS A 26 5.997 7.812 3.872 1.00 10.00 H new ATOM 0 HA HIS A 26 7.319 5.736 5.532 1.00 10.00 H new ATOM 0 HB2 HIS A 26 9.196 7.410 5.608 1.00 10.00 H new ATOM 0 HB3 HIS A 26 8.955 6.659 4.043 1.00 10.00 H new ATOM 0 HD1 HIS A 26 7.258 9.837 5.529 1.00 10.00 H new ATOM 0 HD2 HIS A 26 9.529 8.480 2.249 1.00 10.00 H new ATOM 0 HE1 HIS A 26 7.424 11.793 3.891 1.00 10.00 H new ATOM 403 N ASN A 27 5.681 6.863 7.210 1.00 10.00 N ATOM 404 CA ASN A 27 5.206 7.320 8.516 1.00 10.00 C ATOM 405 C ASN A 27 5.482 6.240 9.577 1.00 10.00 C ATOM 406 O ASN A 27 5.642 5.067 9.241 1.00 10.00 O ATOM 407 CB ASN A 27 3.699 7.637 8.421 1.00 10.00 C ATOM 408 CG ASN A 27 3.345 9.109 8.222 1.00 10.00 C ATOM 409 OD1 ASN A 27 4.169 9.999 8.382 1.00 10.00 O ATOM 410 ND2 ASN A 27 2.101 9.414 7.866 1.00 10.00 N ATOM 0 H ASN A 27 5.205 6.025 6.876 1.00 10.00 H new ATOM 0 HA ASN A 27 5.735 8.226 8.813 1.00 10.00 H new ATOM 0 HB2 ASN A 27 3.277 7.066 7.594 1.00 10.00 H new ATOM 0 HB3 ASN A 27 3.214 7.285 9.332 1.00 10.00 H new ATOM 0 HD21 ASN A 27 1.835 10.389 7.727 1.00 10.00 H new ATOM 0 HD22 ASN A 27 1.413 8.673 7.732 1.00 10.00 H new ATOM 417 N THR A 28 5.503 6.625 10.857 1.00 10.00 N ATOM 418 CA THR A 28 5.601 5.667 11.969 1.00 10.00 C ATOM 419 C THR A 28 4.275 5.559 12.733 1.00 10.00 C ATOM 420 O THR A 28 3.839 4.460 13.064 1.00 10.00 O ATOM 421 CB THR A 28 6.702 6.149 12.930 1.00 10.00 C ATOM 422 OG1 THR A 28 7.919 6.316 12.236 1.00 10.00 O ATOM 423 CG2 THR A 28 6.947 5.179 14.087 1.00 10.00 C ATOM 0 H THR A 28 5.453 7.600 11.153 1.00 10.00 H new ATOM 0 HA THR A 28 5.838 4.683 11.565 1.00 10.00 H new ATOM 0 HB THR A 28 6.351 7.096 13.341 1.00 10.00 H new ATOM 0 HG1 THR A 28 8.611 6.624 12.858 1.00 10.00 H new ATOM 0 HG21 THR A 28 7.734 5.572 14.731 1.00 10.00 H new ATOM 0 HG22 THR A 28 6.030 5.062 14.664 1.00 10.00 H new ATOM 0 HG23 THR A 28 7.252 4.210 13.691 1.00 10.00 H new ATOM 431 N ALA A 29 3.550 6.673 12.872 1.00 10.00 N ATOM 432 CA ALA A 29 2.298 6.727 13.633 1.00 10.00 C ATOM 433 C ALA A 29 1.091 6.280 12.802 1.00 10.00 C ATOM 434 O ALA A 29 0.070 5.862 13.335 1.00 10.00 O ATOM 435 CB ALA A 29 2.093 8.151 14.142 1.00 10.00 C ATOM 0 H ALA A 29 3.816 7.566 12.458 1.00 10.00 H new ATOM 0 HA ALA A 29 2.376 6.032 14.469 1.00 10.00 H new ATOM 0 HB1 ALA A 29 1.164 8.204 14.710 1.00 10.00 H new ATOM 0 HB2 ALA A 29 2.928 8.432 14.784 1.00 10.00 H new ATOM 0 HB3 ALA A 29 2.040 8.836 13.296 1.00 10.00 H new ATOM 441 N ASP A 30 1.223 6.381 11.480 1.00 10.00 N ATOM 442 CA ASP A 30 0.235 5.983 10.494 1.00 10.00 C ATOM 443 C ASP A 30 0.299 4.459 10.278 1.00 10.00 C ATOM 444 O ASP A 30 -0.709 3.789 10.076 1.00 10.00 O ATOM 445 CB ASP A 30 0.628 6.790 9.254 1.00 10.00 C ATOM 446 CG ASP A 30 -0.478 7.124 8.298 1.00 10.00 C ATOM 447 OD1 ASP A 30 -1.544 6.486 8.377 1.00 10.00 O ATOM 448 OD2 ASP A 30 -0.163 8.011 7.471 1.00 10.00 O ATOM 0 H ASP A 30 2.067 6.763 11.052 1.00 10.00 H new ATOM 0 HA ASP A 30 -0.798 6.181 10.780 1.00 10.00 H new ATOM 0 HB2 ASP A 30 1.087 7.722 9.584 1.00 10.00 H new ATOM 0 HB3 ASP A 30 1.392 6.233 8.712 1.00 10.00 H new ATOM 453 N TRP A 31 1.518 3.911 10.381 1.00 10.00 N ATOM 454 CA TRP A 31 1.836 2.494 10.246 1.00 10.00 C ATOM 455 C TRP A 31 1.674 1.736 11.593 1.00 10.00 C ATOM 456 O TRP A 31 1.169 0.613 11.601 1.00 10.00 O ATOM 457 CB TRP A 31 3.214 2.377 9.557 1.00 10.00 C ATOM 458 CG TRP A 31 3.275 2.874 8.123 1.00 10.00 C ATOM 459 CD1 TRP A 31 3.259 4.179 7.771 1.00 10.00 C ATOM 460 CD2 TRP A 31 3.325 2.146 6.845 1.00 10.00 C ATOM 461 NE1 TRP A 31 3.286 4.325 6.403 1.00 10.00 N ATOM 462 CE2 TRP A 31 3.314 3.102 5.782 1.00 10.00 C ATOM 463 CE3 TRP A 31 3.393 0.787 6.454 1.00 10.00 C ATOM 464 CZ2 TRP A 31 3.301 2.735 4.432 1.00 10.00 C ATOM 465 CZ3 TRP A 31 3.263 0.404 5.103 1.00 10.00 C ATOM 466 CH2 TRP A 31 3.190 1.380 4.102 1.00 10.00 C ATOM 0 H TRP A 31 2.345 4.477 10.570 1.00 10.00 H new ATOM 0 HA TRP A 31 1.121 1.982 9.602 1.00 10.00 H new ATOM 0 HB2 TRP A 31 3.943 2.933 10.147 1.00 10.00 H new ATOM 0 HB3 TRP A 31 3.521 1.331 9.574 1.00 10.00 H new ATOM 0 HD1 TRP A 31 3.229 5.000 8.472 1.00 10.00 H new ATOM 0 HE1 TRP A 31 3.285 5.221 5.916 1.00 10.00 H new ATOM 0 HE3 TRP A 31 3.548 0.028 7.206 1.00 10.00 H new ATOM 0 HZ2 TRP A 31 3.375 3.485 3.658 1.00 10.00 H new ATOM 0 HZ3 TRP A 31 3.220 -0.643 4.840 1.00 10.00 H new ATOM 0 HH2 TRP A 31 3.048 1.086 3.073 1.00 10.00 H new ATOM 477 N GLU A 32 1.985 2.348 12.750 1.00 10.00 N ATOM 478 CA GLU A 32 1.707 1.771 14.079 1.00 10.00 C ATOM 479 C GLU A 32 0.346 1.043 14.198 1.00 10.00 C ATOM 480 O GLU A 32 0.322 -0.161 14.457 1.00 10.00 O ATOM 481 CB GLU A 32 1.844 2.841 15.179 1.00 10.00 C ATOM 482 CG GLU A 32 3.104 2.654 16.038 1.00 10.00 C ATOM 483 CD GLU A 32 3.120 3.622 17.213 1.00 10.00 C ATOM 484 OE1 GLU A 32 3.263 4.834 16.944 1.00 10.00 O ATOM 485 OE2 GLU A 32 2.970 3.129 18.352 1.00 10.00 O ATOM 0 H GLU A 32 2.438 3.261 12.790 1.00 10.00 H new ATOM 0 HA GLU A 32 2.463 0.998 14.217 1.00 10.00 H new ATOM 0 HB2 GLU A 32 1.867 3.828 14.718 1.00 10.00 H new ATOM 0 HB3 GLU A 32 0.964 2.810 15.821 1.00 10.00 H new ATOM 0 HG2 GLU A 32 3.146 1.629 16.407 1.00 10.00 H new ATOM 0 HG3 GLU A 32 3.992 2.809 15.424 1.00 10.00 H new ATOM 492 N PRO A 33 -0.800 1.717 13.969 1.00 10.00 N ATOM 493 CA PRO A 33 -2.130 1.123 14.105 1.00 10.00 C ATOM 494 C PRO A 33 -2.501 0.174 12.949 1.00 10.00 C ATOM 495 O PRO A 33 -3.672 -0.154 12.767 1.00 10.00 O ATOM 496 CB PRO A 33 -3.080 2.325 14.180 1.00 10.00 C ATOM 497 CG PRO A 33 -2.383 3.366 13.308 1.00 10.00 C ATOM 498 CD PRO A 33 -0.912 3.126 13.633 1.00 10.00 C ATOM 0 HA PRO A 33 -2.184 0.485 14.987 1.00 10.00 H new ATOM 0 HB2 PRO A 33 -4.072 2.080 13.801 1.00 10.00 H new ATOM 0 HB3 PRO A 33 -3.207 2.676 15.204 1.00 10.00 H new ATOM 0 HG2 PRO A 33 -2.595 3.218 12.249 1.00 10.00 H new ATOM 0 HG3 PRO A 33 -2.695 4.380 13.557 1.00 10.00 H new ATOM 0 HD2 PRO A 33 -0.279 3.375 12.782 1.00 10.00 H new ATOM 0 HD3 PRO A 33 -0.589 3.752 14.465 1.00 10.00 H new ATOM 506 N ARG A 34 -1.520 -0.254 12.152 1.00 10.00 N ATOM 507 CA ARG A 34 -1.650 -1.185 11.043 1.00 10.00 C ATOM 508 C ARG A 34 -0.825 -2.446 11.374 1.00 10.00 C ATOM 509 O ARG A 34 -1.342 -3.567 11.359 1.00 10.00 O ATOM 510 CB ARG A 34 -1.178 -0.469 9.773 1.00 10.00 C ATOM 511 CG ARG A 34 -1.736 0.962 9.623 1.00 10.00 C ATOM 512 CD ARG A 34 -3.154 0.958 9.052 1.00 10.00 C ATOM 513 NE ARG A 34 -4.150 1.480 10.006 1.00 10.00 N ATOM 514 CZ ARG A 34 -5.369 1.898 9.646 1.00 10.00 C ATOM 515 NH1 ARG A 34 -5.791 1.674 8.413 1.00 10.00 N ATOM 516 NH2 ARG A 34 -6.163 2.527 10.501 1.00 10.00 N ATOM 0 H ARG A 34 -0.558 0.062 12.276 1.00 10.00 H new ATOM 0 HA ARG A 34 -2.679 -1.505 10.879 1.00 10.00 H new ATOM 0 HB2 ARG A 34 -0.089 -0.426 9.774 1.00 10.00 H new ATOM 0 HB3 ARG A 34 -1.473 -1.057 8.904 1.00 10.00 H new ATOM 0 HG2 ARG A 34 -1.736 1.456 10.594 1.00 10.00 H new ATOM 0 HG3 ARG A 34 -1.082 1.541 8.971 1.00 10.00 H new ATOM 0 HD2 ARG A 34 -3.177 1.559 8.143 1.00 10.00 H new ATOM 0 HD3 ARG A 34 -3.425 -0.059 8.769 1.00 10.00 H new ATOM 0 HE ARG A 34 -3.896 1.525 10.993 1.00 10.00 H new ATOM 0 HH11 ARG A 34 -5.189 1.187 7.748 1.00 10.00 H new ATOM 0 HH12 ARG A 34 -6.718 1.988 8.126 1.00 10.00 H new ATOM 0 HH21 ARG A 34 -5.848 2.701 11.456 1.00 10.00 H new ATOM 0 HH22 ARG A 34 -7.088 2.837 10.204 1.00 10.00 H new ATOM 530 N LEU A 35 0.408 -2.240 11.864 1.00 10.00 N ATOM 531 CA LEU A 35 1.306 -3.229 12.483 1.00 10.00 C ATOM 532 C LEU A 35 0.713 -3.935 13.720 1.00 10.00 C ATOM 533 O LEU A 35 1.362 -4.792 14.314 1.00 10.00 O ATOM 534 CB LEU A 35 2.616 -2.515 12.885 1.00 10.00 C ATOM 535 CG LEU A 35 3.786 -2.767 11.922 1.00 10.00 C ATOM 536 CD1 LEU A 35 4.784 -1.615 12.042 1.00 10.00 C ATOM 537 CD2 LEU A 35 4.481 -4.095 12.241 1.00 10.00 C ATOM 0 H LEU A 35 0.834 -1.313 11.836 1.00 10.00 H new ATOM 0 HA LEU A 35 1.475 -4.010 11.742 1.00 10.00 H new ATOM 0 HB2 LEU A 35 2.430 -1.442 12.942 1.00 10.00 H new ATOM 0 HB3 LEU A 35 2.904 -2.842 13.884 1.00 10.00 H new ATOM 0 HG LEU A 35 3.402 -2.824 10.904 1.00 10.00 H new ATOM 0 HD11 LEU A 35 5.619 -1.785 11.362 1.00 10.00 H new ATOM 0 HD12 LEU A 35 4.291 -0.678 11.784 1.00 10.00 H new ATOM 0 HD13 LEU A 35 5.155 -1.560 13.065 1.00 10.00 H new ATOM 0 HD21 LEU A 35 5.306 -4.250 11.545 1.00 10.00 H new ATOM 0 HD22 LEU A 35 4.866 -4.068 13.260 1.00 10.00 H new ATOM 0 HD23 LEU A 35 3.766 -4.912 12.145 1.00 10.00 H new ATOM 549 N ALA A 36 -0.522 -3.601 14.099 1.00 10.00 N ATOM 550 CA ALA A 36 -1.246 -4.193 15.210 1.00 10.00 C ATOM 551 C ALA A 36 -1.929 -5.487 14.762 1.00 10.00 C ATOM 552 O ALA A 36 -2.154 -6.387 15.565 1.00 10.00 O ATOM 553 CB ALA A 36 -2.283 -3.183 15.710 1.00 10.00 C ATOM 0 H ALA A 36 -1.061 -2.881 13.617 1.00 10.00 H new ATOM 0 HA ALA A 36 -0.556 -4.438 16.018 1.00 10.00 H new ATOM 0 HB1 ALA A 36 -2.836 -3.613 16.545 1.00 10.00 H new ATOM 0 HB2 ALA A 36 -1.778 -2.275 16.038 1.00 10.00 H new ATOM 0 HB3 ALA A 36 -2.975 -2.942 14.903 1.00 10.00 H new ATOM 559 N LYS A 37 -2.284 -5.553 13.474 1.00 10.00 N ATOM 560 CA LYS A 37 -2.954 -6.696 12.876 1.00 10.00 C ATOM 561 C LYS A 37 -1.908 -7.624 12.240 1.00 10.00 C ATOM 562 O LYS A 37 -1.714 -8.747 12.697 1.00 10.00 O ATOM 563 CB LYS A 37 -3.991 -6.175 11.876 1.00 10.00 C ATOM 564 CG LYS A 37 -5.097 -5.347 12.544 1.00 10.00 C ATOM 565 CD LYS A 37 -5.848 -4.557 11.462 1.00 10.00 C ATOM 566 CE LYS A 37 -6.912 -3.625 12.054 1.00 10.00 C ATOM 567 NZ LYS A 37 -8.020 -4.379 12.679 1.00 10.00 N ATOM 0 H LYS A 37 -2.107 -4.797 12.813 1.00 10.00 H new ATOM 0 HA LYS A 37 -3.483 -7.290 13.621 1.00 10.00 H new ATOM 0 HB2 LYS A 37 -3.490 -5.565 11.125 1.00 10.00 H new ATOM 0 HB3 LYS A 37 -4.441 -7.019 11.353 1.00 10.00 H new ATOM 0 HG2 LYS A 37 -5.785 -6.000 13.080 1.00 10.00 H new ATOM 0 HG3 LYS A 37 -4.667 -4.666 13.278 1.00 10.00 H new ATOM 0 HD2 LYS A 37 -5.135 -3.969 10.884 1.00 10.00 H new ATOM 0 HD3 LYS A 37 -6.322 -5.253 10.770 1.00 10.00 H new ATOM 0 HE2 LYS A 37 -6.451 -2.974 12.797 1.00 10.00 H new ATOM 0 HE3 LYS A 37 -7.308 -2.982 11.269 1.00 10.00 H new ATOM 0 HZ1 LYS A 37 -8.726 -3.713 13.052 1.00 10.00 H new ATOM 0 HZ2 LYS A 37 -8.466 -4.994 11.969 1.00 10.00 H new ATOM 0 HZ3 LYS A 37 -7.649 -4.961 13.457 1.00 10.00 H new ATOM 581 N GLY A 38 -1.212 -7.133 11.206 1.00 10.00 N ATOM 582 CA GLY A 38 -0.057 -7.803 10.597 1.00 10.00 C ATOM 583 C GLY A 38 -0.186 -7.905 9.075 1.00 10.00 C ATOM 584 O GLY A 38 -1.157 -8.477 8.589 1.00 10.00 O ATOM 0 H GLY A 38 -1.440 -6.244 10.762 1.00 10.00 H new ATOM 0 HA2 GLY A 38 0.852 -7.256 10.847 1.00 10.00 H new ATOM 0 HA3 GLY A 38 0.046 -8.803 11.019 1.00 10.00 H new ATOM 588 N VAL A 39 0.753 -7.319 8.326 1.00 10.00 N ATOM 589 CA VAL A 39 0.752 -7.296 6.861 1.00 10.00 C ATOM 590 C VAL A 39 0.273 -8.602 6.211 1.00 10.00 C ATOM 591 O VAL A 39 0.901 -9.642 6.377 1.00 10.00 O ATOM 592 CB VAL A 39 2.128 -6.891 6.316 1.00 10.00 C ATOM 593 CG1 VAL A 39 2.288 -5.383 6.472 1.00 10.00 C ATOM 594 CG2 VAL A 39 3.289 -7.616 7.012 1.00 10.00 C ATOM 0 H VAL A 39 1.554 -6.836 8.732 1.00 10.00 H new ATOM 0 HA VAL A 39 0.017 -6.540 6.583 1.00 10.00 H new ATOM 0 HB VAL A 39 2.169 -7.183 5.267 1.00 10.00 H new ATOM 0 HG11 VAL A 39 3.262 -5.079 6.089 1.00 10.00 H new ATOM 0 HG12 VAL A 39 1.503 -4.874 5.913 1.00 10.00 H new ATOM 0 HG13 VAL A 39 2.213 -5.116 7.526 1.00 10.00 H new ATOM 0 HG21 VAL A 39 4.234 -7.286 6.581 1.00 10.00 H new ATOM 0 HG22 VAL A 39 3.275 -7.386 8.077 1.00 10.00 H new ATOM 0 HG23 VAL A 39 3.182 -8.692 6.872 1.00 10.00 H new ATOM 604 N ASP A 40 -0.854 -8.477 5.500 1.00 10.00 N ATOM 605 CA ASP A 40 -1.717 -9.502 4.912 1.00 10.00 C ATOM 606 C ASP A 40 -3.196 -9.153 5.118 1.00 10.00 C ATOM 607 O ASP A 40 -4.035 -9.648 4.377 1.00 10.00 O ATOM 608 CB ASP A 40 -1.456 -10.923 5.428 1.00 10.00 C ATOM 609 CG ASP A 40 -0.380 -11.696 4.674 1.00 10.00 C ATOM 610 OD1 ASP A 40 -0.070 -11.301 3.527 1.00 10.00 O ATOM 611 OD2 ASP A 40 0.042 -12.736 5.222 1.00 10.00 O ATOM 0 H ASP A 40 -1.223 -7.547 5.302 1.00 10.00 H new ATOM 0 HA ASP A 40 -1.468 -9.504 3.851 1.00 10.00 H new ATOM 0 HB2 ASP A 40 -1.171 -10.865 6.479 1.00 10.00 H new ATOM 0 HB3 ASP A 40 -2.388 -11.487 5.381 1.00 10.00 H new ATOM 616 N ASN A 41 -3.540 -8.286 6.079 1.00 10.00 N ATOM 617 CA ASN A 41 -4.921 -7.797 6.199 1.00 10.00 C ATOM 618 C ASN A 41 -5.186 -6.715 5.149 1.00 10.00 C ATOM 619 O ASN A 41 -6.078 -6.829 4.313 1.00 10.00 O ATOM 620 CB ASN A 41 -5.245 -7.282 7.621 1.00 10.00 C ATOM 621 CG ASN A 41 -4.306 -7.819 8.677 1.00 10.00 C ATOM 622 OD1 ASN A 41 -3.324 -7.018 9.051 1.00 10.00 O flip ATOM 623 ND2 ASN A 41 -4.443 -8.938 9.147 1.00 10.00 N flip ATOM 0 H ASN A 41 -2.894 -7.913 6.775 1.00 10.00 H new ATOM 0 HA ASN A 41 -5.586 -8.641 6.018 1.00 10.00 H new ATOM 0 HB2 ASN A 41 -5.201 -6.193 7.625 1.00 10.00 H new ATOM 0 HB3 ASN A 41 -6.267 -7.561 7.877 1.00 10.00 H new ATOM 0 HD21 ASN A 41 -5.212 -9.531 8.836 1.00 10.00 H new ATOM 0 HD22 ASN A 41 -3.788 -9.279 9.850 1.00 10.00 H new ATOM 630 N LEU A 42 -4.385 -5.651 5.172 1.00 10.00 N ATOM 631 CA LEU A 42 -4.670 -4.448 4.409 1.00 10.00 C ATOM 632 C LEU A 42 -4.345 -4.627 2.927 1.00 10.00 C ATOM 633 O LEU A 42 -4.968 -3.996 2.075 1.00 10.00 O ATOM 634 CB LEU A 42 -3.947 -3.250 5.024 1.00 10.00 C ATOM 635 CG LEU A 42 -4.379 -3.000 6.482 1.00 10.00 C ATOM 636 CD1 LEU A 42 -3.388 -3.610 7.478 1.00 10.00 C ATOM 637 CD2 LEU A 42 -4.492 -1.501 6.759 1.00 10.00 C ATOM 0 H LEU A 42 -3.525 -5.603 5.719 1.00 10.00 H new ATOM 0 HA LEU A 42 -5.741 -4.252 4.461 1.00 10.00 H new ATOM 0 HB2 LEU A 42 -2.871 -3.419 4.989 1.00 10.00 H new ATOM 0 HB3 LEU A 42 -4.149 -2.360 4.428 1.00 10.00 H new ATOM 0 HG LEU A 42 -5.350 -3.478 6.612 1.00 10.00 H new ATOM 0 HD11 LEU A 42 -3.727 -3.413 8.495 1.00 10.00 H new ATOM 0 HD12 LEU A 42 -3.327 -4.686 7.318 1.00 10.00 H new ATOM 0 HD13 LEU A 42 -2.404 -3.165 7.331 1.00 10.00 H new ATOM 0 HD21 LEU A 42 -4.798 -1.344 7.793 1.00 10.00 H new ATOM 0 HD22 LEU A 42 -3.526 -1.026 6.591 1.00 10.00 H new ATOM 0 HD23 LEU A 42 -5.233 -1.062 6.091 1.00 10.00 H new ATOM 649 N VAL A 43 -3.443 -5.557 2.593 1.00 10.00 N ATOM 650 CA VAL A 43 -3.213 -5.937 1.204 1.00 10.00 C ATOM 651 C VAL A 43 -4.505 -6.496 0.566 1.00 10.00 C ATOM 652 O VAL A 43 -4.739 -6.356 -0.636 1.00 10.00 O ATOM 653 CB VAL A 43 -2.008 -6.889 1.147 1.00 10.00 C ATOM 654 CG1 VAL A 43 -2.395 -8.346 1.381 1.00 10.00 C ATOM 655 CG2 VAL A 43 -1.253 -6.771 -0.177 1.00 10.00 C ATOM 0 H VAL A 43 -2.864 -6.057 3.268 1.00 10.00 H new ATOM 0 HA VAL A 43 -2.960 -5.067 0.597 1.00 10.00 H new ATOM 0 HB VAL A 43 -1.353 -6.578 1.961 1.00 10.00 H new ATOM 0 HG11 VAL A 43 -1.504 -8.972 1.329 1.00 10.00 H new ATOM 0 HG12 VAL A 43 -2.853 -8.447 2.365 1.00 10.00 H new ATOM 0 HG13 VAL A 43 -3.105 -8.661 0.616 1.00 10.00 H new ATOM 0 HG21 VAL A 43 -0.409 -7.460 -0.177 1.00 10.00 H new ATOM 0 HG22 VAL A 43 -1.923 -7.018 -1.001 1.00 10.00 H new ATOM 0 HG23 VAL A 43 -0.889 -5.751 -0.298 1.00 10.00 H new ATOM 665 N LYS A 44 -5.395 -7.074 1.388 1.00 10.00 N ATOM 666 CA LYS A 44 -6.729 -7.473 0.945 1.00 10.00 C ATOM 667 C LYS A 44 -7.585 -6.237 0.608 1.00 10.00 C ATOM 668 O LYS A 44 -8.203 -6.171 -0.451 1.00 10.00 O ATOM 669 CB LYS A 44 -7.424 -8.414 1.945 1.00 10.00 C ATOM 670 CG LYS A 44 -6.531 -9.526 2.521 1.00 10.00 C ATOM 671 CD LYS A 44 -6.201 -10.729 1.609 1.00 10.00 C ATOM 672 CE LYS A 44 -4.704 -10.820 1.258 1.00 10.00 C ATOM 673 NZ LYS A 44 -4.210 -12.206 1.106 1.00 10.00 N ATOM 0 H LYS A 44 -5.207 -7.274 2.370 1.00 10.00 H new ATOM 0 HA LYS A 44 -6.611 -8.052 0.029 1.00 10.00 H new ATOM 0 HB2 LYS A 44 -7.814 -7.818 2.770 1.00 10.00 H new ATOM 0 HB3 LYS A 44 -8.280 -8.875 1.452 1.00 10.00 H new ATOM 0 HG2 LYS A 44 -5.590 -9.073 2.831 1.00 10.00 H new ATOM 0 HG3 LYS A 44 -7.012 -9.910 3.421 1.00 10.00 H new ATOM 0 HD2 LYS A 44 -6.510 -11.650 2.104 1.00 10.00 H new ATOM 0 HD3 LYS A 44 -6.781 -10.652 0.689 1.00 10.00 H new ATOM 0 HE2 LYS A 44 -4.524 -10.276 0.331 1.00 10.00 H new ATOM 0 HE3 LYS A 44 -4.127 -10.322 2.037 1.00 10.00 H new ATOM 0 HZ1 LYS A 44 -3.499 -12.240 0.348 1.00 10.00 H new ATOM 0 HZ2 LYS A 44 -3.779 -12.521 1.999 1.00 10.00 H new ATOM 0 HZ3 LYS A 44 -5.004 -12.833 0.865 1.00 10.00 H new ATOM 687 N SER A 45 -7.578 -5.214 1.471 1.00 10.00 N ATOM 688 CA SER A 45 -8.304 -3.967 1.250 1.00 10.00 C ATOM 689 C SER A 45 -7.777 -3.265 -0.004 1.00 10.00 C ATOM 690 O SER A 45 -8.536 -2.679 -0.773 1.00 10.00 O ATOM 691 CB SER A 45 -8.174 -3.054 2.476 1.00 10.00 C ATOM 692 OG SER A 45 -8.516 -3.767 3.650 1.00 10.00 O ATOM 0 H SER A 45 -7.061 -5.233 2.350 1.00 10.00 H new ATOM 0 HA SER A 45 -9.359 -4.194 1.100 1.00 10.00 H new ATOM 0 HB2 SER A 45 -7.154 -2.678 2.553 1.00 10.00 H new ATOM 0 HB3 SER A 45 -8.825 -2.187 2.365 1.00 10.00 H new ATOM 0 HG SER A 45 -8.429 -3.177 4.428 1.00 10.00 H new ATOM 698 N VAL A 46 -6.462 -3.359 -0.224 1.00 10.00 N ATOM 699 CA VAL A 46 -5.824 -2.829 -1.415 1.00 10.00 C ATOM 700 C VAL A 46 -6.407 -3.459 -2.681 1.00 10.00 C ATOM 701 O VAL A 46 -6.884 -2.760 -3.578 1.00 10.00 O ATOM 702 CB VAL A 46 -4.303 -2.996 -1.298 1.00 10.00 C ATOM 703 CG1 VAL A 46 -3.556 -2.848 -2.624 1.00 10.00 C ATOM 704 CG2 VAL A 46 -3.738 -1.978 -0.312 1.00 10.00 C ATOM 0 H VAL A 46 -5.816 -3.807 0.425 1.00 10.00 H new ATOM 0 HA VAL A 46 -6.029 -1.762 -1.498 1.00 10.00 H new ATOM 0 HB VAL A 46 -4.148 -4.017 -0.950 1.00 10.00 H new ATOM 0 HG11 VAL A 46 -2.487 -2.980 -2.456 1.00 10.00 H new ATOM 0 HG12 VAL A 46 -3.909 -3.603 -3.327 1.00 10.00 H new ATOM 0 HG13 VAL A 46 -3.739 -1.856 -3.036 1.00 10.00 H new ATOM 0 HG21 VAL A 46 -2.658 -2.105 -0.236 1.00 10.00 H new ATOM 0 HG22 VAL A 46 -3.961 -0.970 -0.662 1.00 10.00 H new ATOM 0 HG23 VAL A 46 -4.191 -2.130 0.668 1.00 10.00 H new ATOM 714 N LYS A 47 -6.404 -4.794 -2.742 1.00 10.00 N ATOM 715 CA LYS A 47 -6.970 -5.515 -3.879 1.00 10.00 C ATOM 716 C LYS A 47 -8.460 -5.200 -4.087 1.00 10.00 C ATOM 717 O LYS A 47 -8.918 -5.059 -5.218 1.00 10.00 O ATOM 718 CB LYS A 47 -6.575 -6.997 -3.814 1.00 10.00 C ATOM 719 CG LYS A 47 -7.604 -7.945 -3.190 1.00 10.00 C ATOM 720 CD LYS A 47 -6.917 -9.062 -2.385 1.00 10.00 C ATOM 721 CE LYS A 47 -6.562 -10.350 -3.152 1.00 10.00 C ATOM 722 NZ LYS A 47 -5.130 -10.445 -3.548 1.00 10.00 N ATOM 0 H LYS A 47 -6.015 -5.395 -2.015 1.00 10.00 H new ATOM 0 HA LYS A 47 -6.530 -5.153 -4.808 1.00 10.00 H new ATOM 0 HB2 LYS A 47 -6.363 -7.340 -4.827 1.00 10.00 H new ATOM 0 HB3 LYS A 47 -5.646 -7.080 -3.249 1.00 10.00 H new ATOM 0 HG2 LYS A 47 -8.272 -7.382 -2.538 1.00 10.00 H new ATOM 0 HG3 LYS A 47 -8.220 -8.385 -3.975 1.00 10.00 H new ATOM 0 HD2 LYS A 47 -6.000 -8.658 -1.956 1.00 10.00 H new ATOM 0 HD3 LYS A 47 -7.567 -9.330 -1.552 1.00 10.00 H new ATOM 0 HE2 LYS A 47 -6.815 -11.211 -2.533 1.00 10.00 H new ATOM 0 HE3 LYS A 47 -7.180 -10.409 -4.048 1.00 10.00 H new ATOM 0 HZ1 LYS A 47 -5.049 -10.996 -4.426 1.00 10.00 H new ATOM 0 HZ2 LYS A 47 -4.748 -9.490 -3.702 1.00 10.00 H new ATOM 0 HZ3 LYS A 47 -4.591 -10.916 -2.793 1.00 10.00 H new ATOM 736 N THR A 48 -9.183 -4.971 -2.988 1.00 10.00 N ATOM 737 CA THR A 48 -10.612 -4.644 -3.008 1.00 10.00 C ATOM 738 C THR A 48 -10.893 -3.230 -3.538 1.00 10.00 C ATOM 739 O THR A 48 -11.970 -2.999 -4.083 1.00 10.00 O ATOM 740 CB THR A 48 -11.180 -4.809 -1.587 1.00 10.00 C ATOM 741 OG1 THR A 48 -11.078 -6.166 -1.212 1.00 10.00 O ATOM 742 CG2 THR A 48 -12.649 -4.405 -1.444 1.00 10.00 C ATOM 0 H THR A 48 -8.789 -5.008 -2.048 1.00 10.00 H new ATOM 0 HA THR A 48 -11.104 -5.331 -3.697 1.00 10.00 H new ATOM 0 HB THR A 48 -10.595 -4.144 -0.951 1.00 10.00 H new ATOM 0 HG1 THR A 48 -10.161 -6.357 -0.923 1.00 10.00 H new ATOM 0 HG21 THR A 48 -12.968 -4.553 -0.412 1.00 10.00 H new ATOM 0 HG22 THR A 48 -12.766 -3.355 -1.713 1.00 10.00 H new ATOM 0 HG23 THR A 48 -13.261 -5.019 -2.105 1.00 10.00 H new ATOM 750 N GLY A 49 -9.960 -2.280 -3.399 1.00 10.00 N ATOM 751 CA GLY A 49 -10.216 -0.890 -3.769 1.00 10.00 C ATOM 752 C GLY A 49 -11.072 -0.162 -2.731 1.00 10.00 C ATOM 753 O GLY A 49 -12.299 -0.177 -2.788 1.00 10.00 O ATOM 0 H GLY A 49 -9.024 -2.452 -3.033 1.00 10.00 H new ATOM 0 HA2 GLY A 49 -9.267 -0.367 -3.886 1.00 10.00 H new ATOM 0 HA3 GLY A 49 -10.718 -0.860 -4.736 1.00 10.00 H new ATOM 757 N LEU A 50 -10.417 0.491 -1.770 1.00 10.00 N ATOM 758 CA LEU A 50 -11.084 1.375 -0.819 1.00 10.00 C ATOM 759 C LEU A 50 -11.819 2.521 -1.537 1.00 10.00 C ATOM 760 O LEU A 50 -11.610 2.791 -2.710 1.00 10.00 O ATOM 761 CB LEU A 50 -10.034 1.932 0.149 1.00 10.00 C ATOM 762 CG LEU A 50 -10.551 2.243 1.564 1.00 10.00 C ATOM 763 CD1 LEU A 50 -9.998 1.211 2.553 1.00 10.00 C ATOM 764 CD2 LEU A 50 -10.109 3.649 1.984 1.00 10.00 C ATOM 0 H LEU A 50 -9.409 0.420 -1.631 1.00 10.00 H new ATOM 0 HA LEU A 50 -11.835 0.807 -0.269 1.00 10.00 H new ATOM 0 HB2 LEU A 50 -9.217 1.214 0.227 1.00 10.00 H new ATOM 0 HB3 LEU A 50 -9.617 2.844 -0.277 1.00 10.00 H new ATOM 0 HG LEU A 50 -11.640 2.197 1.565 1.00 10.00 H new ATOM 0 HD11 LEU A 50 -10.366 1.434 3.555 1.00 10.00 H new ATOM 0 HD12 LEU A 50 -10.326 0.214 2.259 1.00 10.00 H new ATOM 0 HD13 LEU A 50 -8.909 1.251 2.549 1.00 10.00 H new ATOM 0 HD21 LEU A 50 -10.479 3.862 2.987 1.00 10.00 H new ATOM 0 HD22 LEU A 50 -9.020 3.705 1.979 1.00 10.00 H new ATOM 0 HD23 LEU A 50 -10.513 4.381 1.285 1.00 10.00 H new ATOM 776 N ASN A 51 -12.662 3.250 -0.818 1.00 10.00 N ATOM 777 CA ASN A 51 -13.557 4.272 -1.383 1.00 10.00 C ATOM 778 C ASN A 51 -12.807 5.302 -2.224 1.00 10.00 C ATOM 779 O ASN A 51 -13.094 5.531 -3.394 1.00 10.00 O ATOM 780 CB ASN A 51 -14.317 4.991 -0.259 1.00 10.00 C ATOM 781 CG ASN A 51 -14.873 3.957 0.693 1.00 10.00 C ATOM 782 OD1 ASN A 51 -14.056 3.609 1.675 1.00 10.00 O flip ATOM 783 ND2 ASN A 51 -15.928 3.376 0.481 1.00 10.00 N flip ATOM 0 H ASN A 51 -12.751 3.152 0.193 1.00 10.00 H new ATOM 0 HA ASN A 51 -14.257 3.753 -2.037 1.00 10.00 H new ATOM 0 HB2 ASN A 51 -13.651 5.672 0.271 1.00 10.00 H new ATOM 0 HB3 ASN A 51 -15.124 5.594 -0.675 1.00 10.00 H new ATOM 0 HD21 ASN A 51 -16.530 3.675 -0.286 1.00 10.00 H new ATOM 0 HD22 ASN A 51 -16.206 2.592 1.071 1.00 10.00 H new ATOM 790 N ALA A 52 -11.813 5.904 -1.577 1.00 10.00 N ATOM 791 CA ALA A 52 -10.876 6.842 -2.172 1.00 10.00 C ATOM 792 C ALA A 52 -9.659 6.140 -2.808 1.00 10.00 C ATOM 793 O ALA A 52 -8.626 6.784 -2.993 1.00 10.00 O ATOM 794 CB ALA A 52 -10.472 7.829 -1.071 1.00 10.00 C ATOM 0 H ALA A 52 -11.634 5.743 -0.586 1.00 10.00 H new ATOM 0 HA ALA A 52 -11.348 7.371 -3.000 1.00 10.00 H new ATOM 0 HB1 ALA A 52 -9.766 8.555 -1.474 1.00 10.00 H new ATOM 0 HB2 ALA A 52 -11.358 8.349 -0.705 1.00 10.00 H new ATOM 0 HB3 ALA A 52 -10.005 7.286 -0.249 1.00 10.00 H new ATOM 800 N MET A 53 -9.755 4.836 -3.123 1.00 10.00 N ATOM 801 CA MET A 53 -8.620 4.062 -3.651 1.00 10.00 C ATOM 802 C MET A 53 -8.965 3.135 -4.839 1.00 10.00 C ATOM 803 O MET A 53 -9.951 2.406 -4.794 1.00 10.00 O ATOM 804 CB MET A 53 -8.056 3.263 -2.480 1.00 10.00 C ATOM 805 CG MET A 53 -6.590 2.876 -2.630 1.00 10.00 C ATOM 806 SD MET A 53 -5.894 2.529 -1.003 1.00 10.00 S ATOM 807 CE MET A 53 -5.829 0.733 -1.049 1.00 10.00 C ATOM 0 H MET A 53 -10.613 4.294 -3.020 1.00 10.00 H new ATOM 0 HA MET A 53 -7.892 4.758 -4.068 1.00 10.00 H new ATOM 0 HB2 MET A 53 -8.173 3.847 -1.567 1.00 10.00 H new ATOM 0 HB3 MET A 53 -8.648 2.356 -2.356 1.00 10.00 H new ATOM 0 HG2 MET A 53 -6.497 2.000 -3.272 1.00 10.00 H new ATOM 0 HG3 MET A 53 -6.037 3.683 -3.110 1.00 10.00 H new ATOM 0 HE1 MET A 53 -5.487 0.357 -0.085 1.00 10.00 H new ATOM 0 HE2 MET A 53 -6.823 0.338 -1.260 1.00 10.00 H new ATOM 0 HE3 MET A 53 -5.138 0.414 -1.829 1.00 10.00 H new ATOM 817 N PRO A 54 -8.158 3.096 -5.914 1.00 10.00 N ATOM 818 CA PRO A 54 -8.472 2.248 -7.057 1.00 10.00 C ATOM 819 C PRO A 54 -8.350 0.752 -6.703 1.00 10.00 C ATOM 820 O PRO A 54 -7.515 0.375 -5.876 1.00 10.00 O ATOM 821 CB PRO A 54 -7.510 2.681 -8.167 1.00 10.00 C ATOM 822 CG PRO A 54 -6.319 3.266 -7.411 1.00 10.00 C ATOM 823 CD PRO A 54 -6.923 3.834 -6.129 1.00 10.00 C ATOM 0 HA PRO A 54 -9.506 2.366 -7.381 1.00 10.00 H new ATOM 0 HB2 PRO A 54 -7.213 1.837 -8.790 1.00 10.00 H new ATOM 0 HB3 PRO A 54 -7.967 3.419 -8.826 1.00 10.00 H new ATOM 0 HG2 PRO A 54 -5.573 2.502 -7.194 1.00 10.00 H new ATOM 0 HG3 PRO A 54 -5.821 4.042 -7.993 1.00 10.00 H new ATOM 0 HD2 PRO A 54 -6.242 3.710 -5.287 1.00 10.00 H new ATOM 0 HD3 PRO A 54 -7.117 4.902 -6.228 1.00 10.00 H new ATOM 831 N PRO A 55 -9.173 -0.115 -7.319 1.00 10.00 N ATOM 832 CA PRO A 55 -9.136 -1.555 -7.088 1.00 10.00 C ATOM 833 C PRO A 55 -7.773 -2.111 -7.496 1.00 10.00 C ATOM 834 O PRO A 55 -7.240 -1.732 -8.538 1.00 10.00 O ATOM 835 CB PRO A 55 -10.299 -2.130 -7.902 1.00 10.00 C ATOM 836 CG PRO A 55 -10.481 -1.119 -9.035 1.00 10.00 C ATOM 837 CD PRO A 55 -10.113 0.212 -8.380 1.00 10.00 C ATOM 0 HA PRO A 55 -9.254 -1.826 -6.039 1.00 10.00 H new ATOM 0 HB2 PRO A 55 -10.067 -3.124 -8.285 1.00 10.00 H new ATOM 0 HB3 PRO A 55 -11.202 -2.223 -7.299 1.00 10.00 H new ATOM 0 HG2 PRO A 55 -9.833 -1.343 -9.882 1.00 10.00 H new ATOM 0 HG3 PRO A 55 -11.505 -1.114 -9.409 1.00 10.00 H new ATOM 0 HD2 PRO A 55 -9.665 0.893 -9.103 1.00 10.00 H new ATOM 0 HD3 PRO A 55 -10.997 0.709 -7.980 1.00 10.00 H new ATOM 845 N GLY A 56 -7.152 -2.938 -6.644 1.00 10.00 N ATOM 846 CA GLY A 56 -5.787 -3.360 -6.915 1.00 10.00 C ATOM 847 C GLY A 56 -4.756 -2.273 -6.595 1.00 10.00 C ATOM 848 O GLY A 56 -3.610 -2.367 -7.034 1.00 10.00 O ATOM 0 H GLY A 56 -7.564 -3.314 -5.790 1.00 10.00 H new ATOM 0 HA2 GLY A 56 -5.563 -4.251 -6.328 1.00 10.00 H new ATOM 0 HA3 GLY A 56 -5.700 -3.640 -7.965 1.00 10.00 H new ATOM 852 N GLY A 57 -5.141 -1.232 -5.847 1.00 10.00 N ATOM 853 CA GLY A 57 -4.285 -0.094 -5.515 1.00 10.00 C ATOM 854 C GLY A 57 -3.511 0.468 -6.716 1.00 10.00 C ATOM 855 O GLY A 57 -2.383 0.925 -6.552 1.00 10.00 O ATOM 0 H GLY A 57 -6.077 -1.159 -5.449 1.00 10.00 H new ATOM 0 HA2 GLY A 57 -4.899 0.698 -5.087 1.00 10.00 H new ATOM 0 HA3 GLY A 57 -3.575 -0.397 -4.746 1.00 10.00 H new ATOM 859 N MET A 58 -4.125 0.439 -7.906 1.00 10.00 N ATOM 860 CA MET A 58 -3.559 0.881 -9.184 1.00 10.00 C ATOM 861 C MET A 58 -2.560 -0.128 -9.801 1.00 10.00 C ATOM 862 O MET A 58 -1.569 0.258 -10.417 1.00 10.00 O ATOM 863 CB MET A 58 -3.043 2.337 -9.083 1.00 10.00 C ATOM 864 CG MET A 58 -3.685 3.248 -10.140 1.00 10.00 C ATOM 865 SD MET A 58 -3.293 2.934 -11.880 1.00 10.00 S ATOM 866 CE MET A 58 -1.695 3.756 -12.014 1.00 10.00 C ATOM 0 H MET A 58 -5.078 0.089 -8.007 1.00 10.00 H new ATOM 0 HA MET A 58 -4.366 0.898 -9.917 1.00 10.00 H new ATOM 0 HB2 MET A 58 -3.256 2.729 -8.089 1.00 10.00 H new ATOM 0 HB3 MET A 58 -1.960 2.347 -9.205 1.00 10.00 H new ATOM 0 HG2 MET A 58 -4.767 3.184 -10.024 1.00 10.00 H new ATOM 0 HG3 MET A 58 -3.400 4.275 -9.913 1.00 10.00 H new ATOM 0 HE1 MET A 58 -1.317 3.653 -13.031 1.00 10.00 H new ATOM 0 HE2 MET A 58 -1.808 4.813 -11.775 1.00 10.00 H new ATOM 0 HE3 MET A 58 -0.992 3.300 -11.317 1.00 10.00 H new ATOM 876 N CYS A 59 -2.846 -1.432 -9.671 1.00 10.00 N ATOM 877 CA CYS A 59 -2.153 -2.527 -10.358 1.00 10.00 C ATOM 878 C CYS A 59 -3.140 -3.434 -11.124 1.00 10.00 C ATOM 879 O CYS A 59 -4.342 -3.388 -10.879 1.00 10.00 O ATOM 880 CB CYS A 59 -1.359 -3.329 -9.324 1.00 10.00 C ATOM 881 SG CYS A 59 -0.087 -4.429 -9.989 1.00 10.00 S ATOM 0 H CYS A 59 -3.594 -1.763 -9.062 1.00 10.00 H new ATOM 0 HA CYS A 59 -1.473 -2.109 -11.100 1.00 10.00 H new ATOM 0 HB2 CYS A 59 -0.884 -2.629 -8.636 1.00 10.00 H new ATOM 0 HB3 CYS A 59 -2.059 -3.926 -8.739 1.00 10.00 H new ATOM 886 N THR A 60 -2.622 -4.267 -12.038 1.00 10.00 N ATOM 887 CA THR A 60 -3.409 -5.181 -12.878 1.00 10.00 C ATOM 888 C THR A 60 -3.328 -6.627 -12.370 1.00 10.00 C ATOM 889 O THR A 60 -4.337 -7.196 -11.968 1.00 10.00 O ATOM 890 CB THR A 60 -2.927 -5.083 -14.336 1.00 10.00 C ATOM 891 OG1 THR A 60 -2.990 -3.740 -14.767 1.00 10.00 O ATOM 892 CG2 THR A 60 -3.759 -5.937 -15.296 1.00 10.00 C ATOM 0 H THR A 60 -1.620 -4.325 -12.218 1.00 10.00 H new ATOM 0 HA THR A 60 -4.456 -4.883 -12.826 1.00 10.00 H new ATOM 0 HB THR A 60 -1.903 -5.457 -14.353 1.00 10.00 H new ATOM 0 HG1 THR A 60 -2.681 -3.679 -15.695 1.00 10.00 H new ATOM 0 HG21 THR A 60 -3.372 -5.827 -16.309 1.00 10.00 H new ATOM 0 HG22 THR A 60 -3.700 -6.983 -14.996 1.00 10.00 H new ATOM 0 HG23 THR A 60 -4.798 -5.609 -15.267 1.00 10.00 H new ATOM 900 N ASP A 61 -2.125 -7.217 -12.399 1.00 10.00 N ATOM 901 CA ASP A 61 -1.865 -8.605 -12.021 1.00 10.00 C ATOM 902 C ASP A 61 -0.815 -8.671 -10.893 1.00 10.00 C ATOM 903 O ASP A 61 0.147 -9.433 -10.934 1.00 10.00 O ATOM 904 CB ASP A 61 -1.463 -9.366 -13.296 1.00 10.00 C ATOM 905 CG ASP A 61 -1.362 -10.870 -13.080 1.00 10.00 C ATOM 906 OD1 ASP A 61 -2.252 -11.403 -12.385 1.00 10.00 O ATOM 907 OD2 ASP A 61 -0.413 -11.455 -13.645 1.00 10.00 O ATOM 0 H ASP A 61 -1.283 -6.723 -12.696 1.00 10.00 H new ATOM 0 HA ASP A 61 -2.753 -9.084 -11.607 1.00 10.00 H new ATOM 0 HB2 ASP A 61 -2.194 -9.165 -14.079 1.00 10.00 H new ATOM 0 HB3 ASP A 61 -0.504 -8.990 -13.651 1.00 10.00 H new ATOM 912 N CYS A 62 -0.983 -7.835 -9.864 1.00 10.00 N ATOM 913 CA CYS A 62 -0.150 -7.909 -8.667 1.00 10.00 C ATOM 914 C CYS A 62 -0.516 -9.153 -7.847 1.00 10.00 C ATOM 915 O CYS A 62 -1.622 -9.254 -7.319 1.00 10.00 O ATOM 916 CB CYS A 62 -0.298 -6.645 -7.817 1.00 10.00 C ATOM 917 SG CYS A 62 0.769 -5.256 -8.252 1.00 10.00 S ATOM 0 H CYS A 62 -1.690 -7.100 -9.839 1.00 10.00 H new ATOM 0 HA CYS A 62 0.892 -7.985 -8.978 1.00 10.00 H new ATOM 0 HB2 CYS A 62 -1.334 -6.312 -7.878 1.00 10.00 H new ATOM 0 HB3 CYS A 62 -0.108 -6.909 -6.777 1.00 10.00 H new ATOM 922 N THR A 63 0.426 -10.088 -7.709 1.00 10.00 N ATOM 923 CA THR A 63 0.279 -11.252 -6.838 1.00 10.00 C ATOM 924 C THR A 63 0.690 -10.882 -5.414 1.00 10.00 C ATOM 925 O THR A 63 1.686 -10.181 -5.233 1.00 10.00 O ATOM 926 CB THR A 63 1.115 -12.434 -7.356 1.00 10.00 C ATOM 927 OG1 THR A 63 1.211 -13.405 -6.333 1.00 10.00 O ATOM 928 CG2 THR A 63 2.533 -12.051 -7.794 1.00 10.00 C ATOM 0 H THR A 63 1.318 -10.057 -8.203 1.00 10.00 H new ATOM 0 HA THR A 63 -0.766 -11.561 -6.837 1.00 10.00 H new ATOM 0 HB THR A 63 0.602 -12.813 -8.240 1.00 10.00 H new ATOM 0 HG1 THR A 63 1.741 -14.165 -6.652 1.00 10.00 H new ATOM 0 HG21 THR A 63 3.057 -12.939 -8.146 1.00 10.00 H new ATOM 0 HG22 THR A 63 2.480 -11.318 -8.599 1.00 10.00 H new ATOM 0 HG23 THR A 63 3.072 -11.623 -6.949 1.00 10.00 H new ATOM 936 N ASP A 64 -0.061 -11.355 -4.409 1.00 10.00 N ATOM 937 CA ASP A 64 0.218 -11.227 -2.983 1.00 10.00 C ATOM 938 C ASP A 64 1.730 -11.333 -2.664 1.00 10.00 C ATOM 939 O ASP A 64 2.241 -10.547 -1.870 1.00 10.00 O ATOM 940 CB ASP A 64 -0.658 -12.256 -2.253 1.00 10.00 C ATOM 941 CG ASP A 64 -2.087 -11.786 -1.947 1.00 10.00 C ATOM 942 OD1 ASP A 64 -2.806 -11.304 -2.856 1.00 10.00 O ATOM 943 OD2 ASP A 64 -2.490 -11.939 -0.774 1.00 10.00 O ATOM 0 H ASP A 64 -0.927 -11.865 -4.586 1.00 10.00 H new ATOM 0 HA ASP A 64 -0.041 -10.230 -2.625 1.00 10.00 H new ATOM 0 HB2 ASP A 64 -0.710 -13.161 -2.858 1.00 10.00 H new ATOM 0 HB3 ASP A 64 -0.171 -12.526 -1.316 1.00 10.00 H new ATOM 948 N GLU A 65 2.458 -12.239 -3.329 1.00 10.00 N ATOM 949 CA GLU A 65 3.922 -12.327 -3.297 1.00 10.00 C ATOM 950 C GLU A 65 4.634 -10.965 -3.376 1.00 10.00 C ATOM 951 O GLU A 65 5.426 -10.630 -2.494 1.00 10.00 O ATOM 952 CB GLU A 65 4.392 -13.259 -4.428 1.00 10.00 C ATOM 953 CG GLU A 65 4.035 -14.732 -4.161 1.00 10.00 C ATOM 954 CD GLU A 65 4.959 -15.402 -3.149 1.00 10.00 C ATOM 955 OE1 GLU A 65 4.880 -15.017 -1.959 1.00 10.00 O ATOM 956 OE2 GLU A 65 5.729 -16.288 -3.572 1.00 10.00 O ATOM 0 H GLU A 65 2.031 -12.951 -3.921 1.00 10.00 H new ATOM 0 HA GLU A 65 4.199 -12.735 -2.325 1.00 10.00 H new ATOM 0 HB2 GLU A 65 3.939 -12.943 -5.368 1.00 10.00 H new ATOM 0 HB3 GLU A 65 5.471 -13.165 -4.547 1.00 10.00 H new ATOM 0 HG2 GLU A 65 3.008 -14.790 -3.800 1.00 10.00 H new ATOM 0 HG3 GLU A 65 4.074 -15.284 -5.100 1.00 10.00 H new ATOM 963 N ASP A 66 4.339 -10.172 -4.407 1.00 10.00 N ATOM 964 CA ASP A 66 4.913 -8.844 -4.578 1.00 10.00 C ATOM 965 C ASP A 66 4.054 -7.771 -3.886 1.00 10.00 C ATOM 966 O ASP A 66 4.580 -6.812 -3.321 1.00 10.00 O ATOM 967 CB ASP A 66 5.125 -8.595 -6.073 1.00 10.00 C ATOM 968 CG ASP A 66 6.248 -9.462 -6.612 1.00 10.00 C ATOM 969 OD1 ASP A 66 7.404 -9.005 -6.486 1.00 10.00 O ATOM 970 OD2 ASP A 66 5.923 -10.564 -7.104 1.00 10.00 O ATOM 0 H ASP A 66 3.691 -10.438 -5.149 1.00 10.00 H new ATOM 0 HA ASP A 66 5.885 -8.782 -4.088 1.00 10.00 H new ATOM 0 HB2 ASP A 66 4.204 -8.807 -6.615 1.00 10.00 H new ATOM 0 HB3 ASP A 66 5.359 -7.544 -6.241 1.00 10.00 H new ATOM 975 N TYR A 67 2.729 -7.952 -3.864 1.00 10.00 N ATOM 976 CA TYR A 67 1.783 -7.062 -3.187 1.00 10.00 C ATOM 977 C TYR A 67 2.179 -6.834 -1.718 1.00 10.00 C ATOM 978 O TYR A 67 2.151 -5.708 -1.228 1.00 10.00 O ATOM 979 CB TYR A 67 0.370 -7.672 -3.274 1.00 10.00 C ATOM 980 CG TYR A 67 -0.742 -6.881 -3.931 1.00 10.00 C ATOM 981 CD1 TYR A 67 -0.751 -5.472 -3.955 1.00 10.00 C ATOM 982 CD2 TYR A 67 -1.765 -7.594 -4.585 1.00 10.00 C ATOM 983 CE1 TYR A 67 -1.642 -4.798 -4.807 1.00 10.00 C ATOM 984 CE2 TYR A 67 -2.693 -6.913 -5.387 1.00 10.00 C ATOM 985 CZ TYR A 67 -2.574 -5.530 -5.558 1.00 10.00 C ATOM 986 OH TYR A 67 -3.224 -4.949 -6.594 1.00 10.00 O ATOM 0 H TYR A 67 2.276 -8.740 -4.327 1.00 10.00 H new ATOM 0 HA TYR A 67 1.798 -6.091 -3.682 1.00 10.00 H new ATOM 0 HB2 TYR A 67 0.455 -8.620 -3.805 1.00 10.00 H new ATOM 0 HB3 TYR A 67 0.051 -7.904 -2.258 1.00 10.00 H new ATOM 0 HD1 TYR A 67 -0.077 -4.914 -3.322 1.00 10.00 H new ATOM 0 HD2 TYR A 67 -1.835 -8.665 -4.469 1.00 10.00 H new ATOM 0 HE1 TYR A 67 -1.610 -3.721 -4.883 1.00 10.00 H new ATOM 0 HE2 TYR A 67 -3.494 -7.453 -5.869 1.00 10.00 H new ATOM 0 HH TYR A 67 -2.983 -4.000 -6.641 1.00 10.00 H new ATOM 996 N LYS A 68 2.565 -7.909 -1.023 1.00 10.00 N ATOM 997 CA LYS A 68 2.974 -7.894 0.379 1.00 10.00 C ATOM 998 C LYS A 68 4.354 -7.240 0.520 1.00 10.00 C ATOM 999 O LYS A 68 4.556 -6.365 1.355 1.00 10.00 O ATOM 1000 CB LYS A 68 2.904 -9.312 0.983 1.00 10.00 C ATOM 1001 CG LYS A 68 4.118 -10.192 0.642 1.00 10.00 C ATOM 1002 CD LYS A 68 3.858 -11.690 0.843 1.00 10.00 C ATOM 1003 CE LYS A 68 5.180 -12.450 0.639 1.00 10.00 C ATOM 1004 NZ LYS A 68 4.973 -13.879 0.318 1.00 10.00 N ATOM 0 H LYS A 68 2.601 -8.841 -1.437 1.00 10.00 H new ATOM 0 HA LYS A 68 2.278 -7.285 0.956 1.00 10.00 H new ATOM 0 HB2 LYS A 68 2.818 -9.231 2.067 1.00 10.00 H new ATOM 0 HB3 LYS A 68 1.999 -9.804 0.627 1.00 10.00 H new ATOM 0 HG2 LYS A 68 4.405 -10.016 -0.395 1.00 10.00 H new ATOM 0 HG3 LYS A 68 4.962 -9.891 1.262 1.00 10.00 H new ATOM 0 HD2 LYS A 68 3.466 -11.875 1.843 1.00 10.00 H new ATOM 0 HD3 LYS A 68 3.107 -12.042 0.136 1.00 10.00 H new ATOM 0 HE2 LYS A 68 5.745 -11.979 -0.166 1.00 10.00 H new ATOM 0 HE3 LYS A 68 5.784 -12.369 1.542 1.00 10.00 H new ATOM 0 HZ1 LYS A 68 5.703 -14.450 0.790 1.00 10.00 H new ATOM 0 HZ2 LYS A 68 4.033 -14.176 0.649 1.00 10.00 H new ATOM 0 HZ3 LYS A 68 5.038 -14.017 -0.711 1.00 10.00 H new ATOM 1018 N ALA A 69 5.301 -7.606 -0.349 1.00 10.00 N ATOM 1019 CA ALA A 69 6.612 -6.973 -0.400 1.00 10.00 C ATOM 1020 C ALA A 69 6.500 -5.462 -0.642 1.00 10.00 C ATOM 1021 O ALA A 69 7.307 -4.688 -0.139 1.00 10.00 O ATOM 1022 CB ALA A 69 7.435 -7.645 -1.493 1.00 10.00 C ATOM 0 H ALA A 69 5.175 -8.350 -1.035 1.00 10.00 H new ATOM 0 HA ALA A 69 7.108 -7.098 0.562 1.00 10.00 H new ATOM 0 HB1 ALA A 69 8.420 -7.182 -1.544 1.00 10.00 H new ATOM 0 HB2 ALA A 69 7.544 -8.706 -1.266 1.00 10.00 H new ATOM 0 HB3 ALA A 69 6.930 -7.529 -2.452 1.00 10.00 H new ATOM 1028 N ALA A 70 5.494 -5.036 -1.409 1.00 10.00 N ATOM 1029 CA ALA A 70 5.289 -3.642 -1.787 1.00 10.00 C ATOM 1030 C ALA A 70 5.011 -2.785 -0.550 1.00 10.00 C ATOM 1031 O ALA A 70 5.635 -1.746 -0.372 1.00 10.00 O ATOM 1032 CB ALA A 70 4.184 -3.535 -2.844 1.00 10.00 C ATOM 0 H ALA A 70 4.787 -5.665 -1.790 1.00 10.00 H new ATOM 0 HA ALA A 70 6.201 -3.252 -2.239 1.00 10.00 H new ATOM 0 HB1 ALA A 70 4.042 -2.489 -3.117 1.00 10.00 H new ATOM 0 HB2 ALA A 70 4.470 -4.105 -3.728 1.00 10.00 H new ATOM 0 HB3 ALA A 70 3.254 -3.934 -2.440 1.00 10.00 H new ATOM 1038 N ILE A 71 4.122 -3.245 0.333 1.00 10.00 N ATOM 1039 CA ILE A 71 3.832 -2.605 1.604 1.00 10.00 C ATOM 1040 C ILE A 71 4.925 -2.865 2.649 1.00 10.00 C ATOM 1041 O ILE A 71 5.290 -1.961 3.404 1.00 10.00 O ATOM 1042 CB ILE A 71 2.438 -3.043 2.077 1.00 10.00 C ATOM 1043 CG1 ILE A 71 2.202 -4.561 2.105 1.00 10.00 C ATOM 1044 CG2 ILE A 71 1.395 -2.315 1.227 1.00 10.00 C ATOM 1045 CD1 ILE A 71 0.898 -4.972 2.790 1.00 10.00 C ATOM 0 H ILE A 71 3.575 -4.092 0.175 1.00 10.00 H new ATOM 0 HA ILE A 71 3.827 -1.524 1.466 1.00 10.00 H new ATOM 0 HB ILE A 71 2.348 -2.761 3.126 1.00 10.00 H new ATOM 0 HG12 ILE A 71 2.198 -4.937 1.082 1.00 10.00 H new ATOM 0 HG13 ILE A 71 3.037 -5.039 2.617 1.00 10.00 H new ATOM 0 HG21 ILE A 71 0.395 -2.611 1.545 1.00 10.00 H new ATOM 0 HG22 ILE A 71 1.512 -1.238 1.351 1.00 10.00 H new ATOM 0 HG23 ILE A 71 1.534 -2.576 0.178 1.00 10.00 H new ATOM 0 HD11 ILE A 71 0.803 -6.058 2.770 1.00 10.00 H new ATOM 0 HD12 ILE A 71 0.906 -4.628 3.824 1.00 10.00 H new ATOM 0 HD13 ILE A 71 0.054 -4.524 2.265 1.00 10.00 H new ATOM 1057 N GLU A 72 5.490 -4.077 2.673 1.00 10.00 N ATOM 1058 CA GLU A 72 6.636 -4.370 3.538 1.00 10.00 C ATOM 1059 C GLU A 72 7.824 -3.456 3.256 1.00 10.00 C ATOM 1060 O GLU A 72 8.494 -3.020 4.192 1.00 10.00 O ATOM 1061 CB GLU A 72 7.034 -5.855 3.597 1.00 10.00 C ATOM 1062 CG GLU A 72 6.113 -6.688 4.514 1.00 10.00 C ATOM 1063 CD GLU A 72 6.856 -7.685 5.418 1.00 10.00 C ATOM 1064 OE1 GLU A 72 7.437 -8.626 4.843 1.00 10.00 O ATOM 1065 OE2 GLU A 72 6.845 -7.511 6.665 1.00 10.00 O ATOM 0 H GLU A 72 5.175 -4.865 2.107 1.00 10.00 H new ATOM 0 HA GLU A 72 6.287 -4.143 4.545 1.00 10.00 H new ATOM 0 HB2 GLU A 72 7.010 -6.273 2.590 1.00 10.00 H new ATOM 0 HB3 GLU A 72 8.061 -5.937 3.952 1.00 10.00 H new ATOM 0 HG2 GLU A 72 5.533 -6.010 5.140 1.00 10.00 H new ATOM 0 HG3 GLU A 72 5.403 -7.236 3.895 1.00 10.00 H new ATOM 1072 N PHE A 73 8.045 -3.113 1.986 1.00 10.00 N ATOM 1073 CA PHE A 73 9.078 -2.147 1.616 1.00 10.00 C ATOM 1074 C PHE A 73 8.976 -0.840 2.423 1.00 10.00 C ATOM 1075 O PHE A 73 9.987 -0.318 2.886 1.00 10.00 O ATOM 1076 CB PHE A 73 9.026 -1.872 0.109 1.00 10.00 C ATOM 1077 CG PHE A 73 10.201 -1.052 -0.387 1.00 10.00 C ATOM 1078 CD1 PHE A 73 10.255 0.334 -0.142 1.00 10.00 C ATOM 1079 CD2 PHE A 73 11.268 -1.682 -1.053 1.00 10.00 C ATOM 1080 CE1 PHE A 73 11.345 1.091 -0.599 1.00 10.00 C ATOM 1081 CE2 PHE A 73 12.360 -0.923 -1.505 1.00 10.00 C ATOM 1082 CZ PHE A 73 12.392 0.465 -1.294 1.00 10.00 C ATOM 0 H PHE A 73 7.521 -3.491 1.196 1.00 10.00 H new ATOM 0 HA PHE A 73 10.044 -2.587 1.863 1.00 10.00 H new ATOM 0 HB2 PHE A 73 9.001 -2.821 -0.427 1.00 10.00 H new ATOM 0 HB3 PHE A 73 8.100 -1.348 -0.127 1.00 10.00 H new ATOM 0 HD1 PHE A 73 9.455 0.816 0.400 1.00 10.00 H new ATOM 0 HD2 PHE A 73 11.248 -2.749 -1.217 1.00 10.00 H new ATOM 0 HE1 PHE A 73 11.378 2.155 -0.416 1.00 10.00 H new ATOM 0 HE2 PHE A 73 13.178 -1.409 -2.017 1.00 10.00 H new ATOM 0 HZ PHE A 73 13.220 1.050 -1.666 1.00 10.00 H new ATOM 1092 N MET A 74 7.762 -0.297 2.577 1.00 10.00 N ATOM 1093 CA MET A 74 7.551 0.973 3.266 1.00 10.00 C ATOM 1094 C MET A 74 7.855 0.887 4.771 1.00 10.00 C ATOM 1095 O MET A 74 8.849 1.432 5.246 1.00 10.00 O ATOM 1096 CB MET A 74 6.109 1.453 3.050 1.00 10.00 C ATOM 1097 CG MET A 74 5.857 2.183 1.724 1.00 10.00 C ATOM 1098 SD MET A 74 5.310 1.185 0.318 1.00 10.00 S ATOM 1099 CE MET A 74 3.578 1.680 0.136 1.00 10.00 C ATOM 0 H MET A 74 6.905 -0.726 2.228 1.00 10.00 H new ATOM 0 HA MET A 74 8.250 1.691 2.837 1.00 10.00 H new ATOM 0 HB2 MET A 74 5.444 0.591 3.104 1.00 10.00 H new ATOM 0 HB3 MET A 74 5.837 2.118 3.870 1.00 10.00 H new ATOM 0 HG2 MET A 74 5.108 2.955 1.901 1.00 10.00 H new ATOM 0 HG3 MET A 74 6.778 2.692 1.439 1.00 10.00 H new ATOM 0 HE1 MET A 74 3.006 0.853 -0.284 1.00 10.00 H new ATOM 0 HE2 MET A 74 3.171 1.944 1.112 1.00 10.00 H new ATOM 0 HE3 MET A 74 3.514 2.541 -0.529 1.00 10.00 H new ATOM 1109 N SER A 75 6.954 0.263 5.536 1.00 10.00 N ATOM 1110 CA SER A 75 7.098 0.120 6.991 1.00 10.00 C ATOM 1111 C SER A 75 6.349 -1.112 7.519 1.00 10.00 C ATOM 1112 O SER A 75 5.938 -1.154 8.674 1.00 10.00 O ATOM 1113 CB SER A 75 6.640 1.414 7.688 1.00 10.00 C ATOM 1114 OG SER A 75 7.361 1.634 8.885 1.00 10.00 O ATOM 0 H SER A 75 6.102 -0.158 5.165 1.00 10.00 H new ATOM 0 HA SER A 75 8.151 -0.042 7.222 1.00 10.00 H new ATOM 0 HB2 SER A 75 6.779 2.261 7.016 1.00 10.00 H new ATOM 0 HB3 SER A 75 5.574 1.354 7.908 1.00 10.00 H new ATOM 0 HG SER A 75 7.051 2.463 9.306 1.00 10.00 H new ATOM 1120 N LYS A 76 6.154 -2.114 6.652 1.00 10.00 N ATOM 1121 CA LYS A 76 5.499 -3.391 6.921 1.00 10.00 C ATOM 1122 C LYS A 76 4.342 -3.345 7.917 1.00 10.00 C ATOM 1123 O LYS A 76 4.353 -4.027 8.940 1.00 10.00 O ATOM 1124 CB LYS A 76 6.544 -4.455 7.260 1.00 10.00 C ATOM 1125 CG LYS A 76 7.482 -4.051 8.404 1.00 10.00 C ATOM 1126 CD LYS A 76 8.174 -5.316 8.913 1.00 10.00 C ATOM 1127 CE LYS A 76 7.192 -6.148 9.751 1.00 10.00 C ATOM 1128 NZ LYS A 76 7.220 -7.562 9.326 1.00 10.00 N ATOM 0 H LYS A 76 6.471 -2.045 5.685 1.00 10.00 H new ATOM 0 HA LYS A 76 4.996 -3.672 5.995 1.00 10.00 H new ATOM 0 HB2 LYS A 76 6.034 -5.380 7.529 1.00 10.00 H new ATOM 0 HB3 LYS A 76 7.138 -4.665 6.371 1.00 10.00 H new ATOM 0 HG2 LYS A 76 8.219 -3.327 8.056 1.00 10.00 H new ATOM 0 HG3 LYS A 76 6.921 -3.574 9.207 1.00 10.00 H new ATOM 0 HD2 LYS A 76 8.538 -5.906 8.072 1.00 10.00 H new ATOM 0 HD3 LYS A 76 9.043 -5.049 9.514 1.00 10.00 H new ATOM 0 HE2 LYS A 76 7.452 -6.074 10.807 1.00 10.00 H new ATOM 0 HE3 LYS A 76 6.183 -5.749 9.643 1.00 10.00 H new ATOM 0 HZ1 LYS A 76 6.314 -8.014 9.564 1.00 10.00 H new ATOM 0 HZ2 LYS A 76 7.373 -7.613 8.299 1.00 10.00 H new ATOM 0 HZ3 LYS A 76 7.993 -8.057 9.816 1.00 10.00 H new ATOM 1142 N ALA A 77 3.310 -2.578 7.558 1.00 10.00 N ATOM 1143 CA ALA A 77 2.157 -2.349 8.413 1.00 10.00 C ATOM 1144 C ALA A 77 0.848 -2.280 7.630 1.00 10.00 C ATOM 1145 O ALA A 77 -0.077 -3.031 7.923 1.00 10.00 O ATOM 1146 CB ALA A 77 2.406 -1.090 9.241 1.00 10.00 C ATOM 0 H ALA A 77 3.256 -2.098 6.659 1.00 10.00 H new ATOM 0 HA ALA A 77 2.039 -3.201 9.082 1.00 10.00 H new ATOM 0 HB1 ALA A 77 1.549 -0.905 9.888 1.00 10.00 H new ATOM 0 HB2 ALA A 77 3.299 -1.227 9.851 1.00 10.00 H new ATOM 0 HB3 ALA A 77 2.548 -0.239 8.575 1.00 10.00 H new ATOM 1152 N LYS A 78 0.783 -1.365 6.659 1.00 10.00 N ATOM 1153 CA LYS A 78 -0.388 -1.105 5.825 1.00 10.00 C ATOM 1154 C LYS A 78 -0.126 -1.362 4.333 1.00 10.00 C ATOM 1155 O LYS A 78 -0.674 -2.365 3.834 1.00 10.00 O ATOM 1156 CB LYS A 78 -0.962 0.288 6.143 1.00 10.00 C ATOM 1157 CG LYS A 78 -0.092 1.504 5.795 1.00 10.00 C ATOM 1158 CD LYS A 78 -0.811 2.505 4.868 1.00 10.00 C ATOM 1159 CE LYS A 78 0.114 3.001 3.756 1.00 10.00 C ATOM 1160 NZ LYS A 78 0.463 1.919 2.809 1.00 10.00 N ATOM 1161 OXT LYS A 78 0.532 -0.514 3.685 1.00 10.00 O ATOM 0 H LYS A 78 1.574 -0.765 6.426 1.00 10.00 H new ATOM 0 HA LYS A 78 -1.163 -1.829 6.076 1.00 10.00 H new ATOM 0 HB2 LYS A 78 -1.911 0.390 5.616 1.00 10.00 H new ATOM 0 HB3 LYS A 78 -1.184 0.326 7.210 1.00 10.00 H new ATOM 0 HG2 LYS A 78 0.200 2.012 6.714 1.00 10.00 H new ATOM 0 HG3 LYS A 78 0.825 1.164 5.314 1.00 10.00 H new ATOM 0 HD2 LYS A 78 -1.688 2.030 4.429 1.00 10.00 H new ATOM 0 HD3 LYS A 78 -1.167 3.353 5.453 1.00 10.00 H new ATOM 0 HE2 LYS A 78 -0.370 3.815 3.216 1.00 10.00 H new ATOM 0 HE3 LYS A 78 1.025 3.408 4.195 1.00 10.00 H new ATOM 0 HZ1 LYS A 78 1.488 1.748 2.840 1.00 10.00 H new ATOM 0 HZ2 LYS A 78 -0.042 1.049 3.074 1.00 10.00 H new ATOM 0 HZ3 LYS A 78 0.188 2.199 1.846 1.00 10.00 H new