USER MOD reduce.3.24.130724 H: found=0, std=0, add=605, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 608 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 83 TYR OH : rot -6:sc= 0.0571 USER MOD Set 1.2: A 118 THR OG1 : rot 24:sc= 0.373 USER MOD Set 2.1: A 103 ASN : amide:sc= -1.96! C(o=-2.2!,f=-4.9!) USER MOD Set 2.2: A 105 MET CE :methyl -109:sc= -0.243 (180deg=-0.87) USER MOD Set 3.1: A 51 GLN : amide:sc= 1.66 K(o=4.8,f=-2.6) USER MOD Set 3.2: A 54 SER OG : rot -121:sc= 1.5 USER MOD Set 3.3: A 56 LYS NZ :NH3+ -148:sc= 1.68 (180deg=-0.784) USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 GLN : amide:sc= -0.355 K(o=-0.36,f=-5.5!) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= -0.0134 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= -1.64! USER MOD Single : A 73 ASN :FLIP amide:sc= -0.109 F(o=-1.1!,f=-0.11) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 180:sc= -0.0472 USER MOD Single : A 80 LYS NZ :NH3+ -154:sc= -0.257 (180deg=-1.05) USER MOD Single : A 84 ASN :FLIP amide:sc= -0.0198 F(o=-0.77,f=-0.02) USER MOD Single : A 85 THR OG1 : rot -79:sc= 1.24 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot -2:sc= 1.27 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 ASN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : A 98 GLN :FLIP amide:sc= 0 F(o=-0.98,f=0) USER MOD Single : A 99 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0673) USER MOD Single : A 100 ASN : amide:sc= -0.492 K(o=-0.49,f=-4.2!) USER MOD Single : A 109 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 112 LYS NZ :NH3+ -163:sc= -0.0206 (180deg=-0.237) USER MOD Single : A 117 ASN : amide:sc= 0.0311 X(o=0.031,f=0.024) USER MOD Single : A 119 LYS NZ :NH3+ 177:sc= 1.62 (180deg=1.51) USER MOD Single : A 121 GLN : amide:sc= -0.547 K(o=-0.55,f=-6.9!) USER MOD Single : A 122 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 127 ASN : amide:sc= -0.527 K(o=-0.53,f=-3.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 49 -12.876 -1.022 -11.126 1.00 0.00 N ATOM 2 CA ALA A 49 -13.432 0.007 -10.219 1.00 0.00 C ATOM 3 C ALA A 49 -13.542 1.352 -10.923 1.00 0.00 C ATOM 4 O ALA A 49 -12.566 1.854 -11.484 1.00 0.00 O ATOM 5 CB ALA A 49 -12.571 0.142 -8.971 1.00 0.00 C ATOM 0 HA ALA A 49 -14.432 -0.312 -9.925 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -12.996 0.903 -8.317 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -12.540 -0.812 -8.445 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -11.560 0.432 -9.256 1.00 0.00 H new ATOM 13 N ASN A 50 -14.736 1.921 -10.908 1.00 0.00 N ATOM 14 CA ASN A 50 -14.963 3.260 -11.431 1.00 0.00 C ATOM 15 C ASN A 50 -15.932 4.009 -10.534 1.00 0.00 C ATOM 16 O ASN A 50 -17.082 4.262 -10.899 1.00 0.00 O ATOM 17 CB ASN A 50 -15.489 3.213 -12.868 1.00 0.00 C ATOM 18 CG ASN A 50 -14.416 3.560 -13.884 1.00 0.00 C ATOM 19 OD1 ASN A 50 -14.250 4.722 -14.255 1.00 0.00 O ATOM 20 ND2 ASN A 50 -13.678 2.559 -14.339 1.00 0.00 N ATOM 0 H ASN A 50 -15.572 1.471 -10.535 1.00 0.00 H new ATOM 0 HA ASN A 50 -14.010 3.788 -11.444 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -15.877 2.216 -13.078 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -16.322 3.908 -12.971 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -12.941 2.738 -15.021 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -13.846 1.609 -14.007 1.00 0.00 H new ATOM 27 N GLN A 51 -15.458 4.345 -9.346 1.00 0.00 N ATOM 28 CA GLN A 51 -16.272 5.027 -8.352 1.00 0.00 C ATOM 29 C GLN A 51 -15.756 6.440 -8.117 1.00 0.00 C ATOM 30 O GLN A 51 -14.703 6.820 -8.632 1.00 0.00 O ATOM 31 CB GLN A 51 -16.271 4.246 -7.035 1.00 0.00 C ATOM 32 CG GLN A 51 -14.879 3.923 -6.516 1.00 0.00 C ATOM 33 CD GLN A 51 -14.897 3.379 -5.102 1.00 0.00 C ATOM 34 OE1 GLN A 51 -14.792 4.136 -4.135 1.00 0.00 O ATOM 35 NE2 GLN A 51 -15.026 2.069 -4.966 1.00 0.00 N ATOM 0 H GLN A 51 -14.503 4.154 -9.044 1.00 0.00 H new ATOM 0 HA GLN A 51 -17.293 5.085 -8.728 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -16.805 4.823 -6.280 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -16.822 3.316 -7.174 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -14.409 3.194 -7.176 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -14.265 4.823 -6.547 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -15.110 1.476 -5.792 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -15.041 1.652 -4.035 1.00 0.00 H new ATOM 44 N GLN A 52 -16.499 7.214 -7.340 1.00 0.00 N ATOM 45 CA GLN A 52 -16.105 8.576 -7.025 1.00 0.00 C ATOM 46 C GLN A 52 -15.236 8.608 -5.772 1.00 0.00 C ATOM 47 O GLN A 52 -14.854 7.564 -5.234 1.00 0.00 O ATOM 48 CB GLN A 52 -17.333 9.481 -6.845 1.00 0.00 C ATOM 49 CG GLN A 52 -17.894 10.043 -8.150 1.00 0.00 C ATOM 50 CD GLN A 52 -18.862 9.112 -8.862 1.00 0.00 C ATOM 51 OE1 GLN A 52 -18.775 7.890 -8.763 1.00 0.00 O ATOM 52 NE2 GLN A 52 -19.794 9.694 -9.601 1.00 0.00 N ATOM 0 H GLN A 52 -17.379 6.920 -6.916 1.00 0.00 H new ATOM 0 HA GLN A 52 -15.523 8.957 -7.864 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -18.116 8.916 -6.340 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -17.066 10.311 -6.190 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -18.401 10.985 -7.939 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -17.066 10.270 -8.821 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -19.836 10.711 -9.660 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -20.470 9.125 -10.111 1.00 0.00 H new ATOM 61 N THR A 53 -14.924 9.811 -5.314 1.00 0.00 N ATOM 62 CA THR A 53 -14.039 10.002 -4.177 1.00 0.00 C ATOM 63 C THR A 53 -14.740 9.670 -2.858 1.00 0.00 C ATOM 64 O THR A 53 -15.214 10.556 -2.148 1.00 0.00 O ATOM 65 CB THR A 53 -13.519 11.448 -4.137 1.00 0.00 C ATOM 66 OG1 THR A 53 -13.292 11.914 -5.475 1.00 0.00 O ATOM 67 CG2 THR A 53 -12.222 11.521 -3.353 1.00 0.00 C ATOM 0 H THR A 53 -15.276 10.679 -5.719 1.00 0.00 H new ATOM 0 HA THR A 53 -13.198 9.319 -4.299 1.00 0.00 H new ATOM 0 HB THR A 53 -14.265 12.075 -3.649 1.00 0.00 H new ATOM 0 HG1 THR A 53 -12.962 12.836 -5.449 1.00 0.00 H new ATOM 0 HG21 THR A 53 -11.866 12.551 -3.333 1.00 0.00 H new ATOM 0 HG22 THR A 53 -12.394 11.177 -2.333 1.00 0.00 H new ATOM 0 HG23 THR A 53 -11.473 10.887 -3.829 1.00 0.00 H new ATOM 75 N SER A 54 -14.808 8.383 -2.548 1.00 0.00 N ATOM 76 CA SER A 54 -15.435 7.914 -1.322 1.00 0.00 C ATOM 77 C SER A 54 -14.537 8.169 -0.111 1.00 0.00 C ATOM 78 O SER A 54 -14.844 9.003 0.741 1.00 0.00 O ATOM 79 CB SER A 54 -15.744 6.424 -1.457 1.00 0.00 C ATOM 80 OG SER A 54 -14.635 5.734 -2.016 1.00 0.00 O ATOM 0 H SER A 54 -14.432 7.639 -3.136 1.00 0.00 H new ATOM 0 HA SER A 54 -16.362 8.466 -1.164 1.00 0.00 H new ATOM 0 HB2 SER A 54 -15.984 6.006 -0.479 1.00 0.00 H new ATOM 0 HB3 SER A 54 -16.622 6.284 -2.088 1.00 0.00 H new ATOM 0 HG SER A 54 -14.912 5.284 -2.842 1.00 0.00 H new ATOM 86 N GLY A 55 -13.428 7.445 -0.047 1.00 0.00 N ATOM 87 CA GLY A 55 -12.482 7.611 1.039 1.00 0.00 C ATOM 88 C GLY A 55 -11.065 7.360 0.580 1.00 0.00 C ATOM 89 O GLY A 55 -10.314 6.627 1.222 1.00 0.00 O ATOM 0 H GLY A 55 -13.165 6.739 -0.735 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -12.562 8.621 1.442 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -12.731 6.924 1.848 1.00 0.00 H new ATOM 93 N LYS A 56 -10.713 7.969 -0.543 1.00 0.00 N ATOM 94 CA LYS A 56 -9.399 7.803 -1.138 1.00 0.00 C ATOM 95 C LYS A 56 -8.314 8.430 -0.268 1.00 0.00 C ATOM 96 O LYS A 56 -8.530 9.461 0.372 1.00 0.00 O ATOM 97 CB LYS A 56 -9.391 8.403 -2.547 1.00 0.00 C ATOM 98 CG LYS A 56 -9.729 7.393 -3.635 1.00 0.00 C ATOM 99 CD LYS A 56 -10.946 6.549 -3.288 1.00 0.00 C ATOM 100 CE LYS A 56 -11.026 5.318 -4.177 1.00 0.00 C ATOM 101 NZ LYS A 56 -11.951 4.289 -3.632 1.00 0.00 N ATOM 0 H LYS A 56 -11.331 8.591 -1.065 1.00 0.00 H new ATOM 0 HA LYS A 56 -9.180 6.738 -1.208 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -10.107 9.224 -2.589 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -8.407 8.827 -2.748 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -9.911 7.920 -4.572 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -8.872 6.739 -3.799 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -10.896 6.245 -2.243 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -11.851 7.145 -3.403 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -11.359 5.612 -5.172 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -10.031 4.887 -4.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -11.609 3.342 -3.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -11.989 4.371 -2.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -12.902 4.434 -4.026 1.00 0.00 H new ATOM 115 N VAL A 57 -7.153 7.796 -0.260 1.00 0.00 N ATOM 116 CA VAL A 57 -6.052 8.188 0.608 1.00 0.00 C ATOM 117 C VAL A 57 -5.081 9.095 -0.123 1.00 0.00 C ATOM 118 O VAL A 57 -4.682 8.804 -1.248 1.00 0.00 O ATOM 119 CB VAL A 57 -5.274 6.956 1.109 1.00 0.00 C ATOM 120 CG1 VAL A 57 -4.315 7.325 2.230 1.00 0.00 C ATOM 121 CG2 VAL A 57 -6.226 5.856 1.534 1.00 0.00 C ATOM 0 H VAL A 57 -6.946 6.994 -0.855 1.00 0.00 H new ATOM 0 HA VAL A 57 -6.489 8.717 1.455 1.00 0.00 H new ATOM 0 HB VAL A 57 -4.674 6.578 0.282 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -3.782 6.434 2.561 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -3.599 8.063 1.868 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -4.876 7.743 3.066 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -5.655 4.996 1.884 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -6.865 6.219 2.339 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -6.843 5.561 0.685 1.00 0.00 H new ATOM 131 N LEU A 58 -4.691 10.181 0.517 1.00 0.00 N ATOM 132 CA LEU A 58 -3.719 11.087 -0.061 1.00 0.00 C ATOM 133 C LEU A 58 -2.333 10.758 0.465 1.00 0.00 C ATOM 134 O LEU A 58 -2.048 10.955 1.646 1.00 0.00 O ATOM 135 CB LEU A 58 -4.071 12.537 0.283 1.00 0.00 C ATOM 136 CG LEU A 58 -3.117 13.597 -0.273 1.00 0.00 C ATOM 137 CD1 LEU A 58 -3.477 13.905 -1.710 1.00 0.00 C ATOM 138 CD2 LEU A 58 -3.160 14.856 0.575 1.00 0.00 C ATOM 0 H LEU A 58 -5.033 10.457 1.438 1.00 0.00 H new ATOM 0 HA LEU A 58 -3.732 10.970 -1.145 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -5.074 12.746 -0.087 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -4.104 12.637 1.368 1.00 0.00 H new ATOM 0 HG LEU A 58 -2.099 13.208 -0.241 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -2.796 14.660 -2.102 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -3.396 12.997 -2.308 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -4.499 14.280 -1.757 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.475 15.596 0.162 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -4.173 15.260 0.576 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.864 14.617 1.596 1.00 0.00 H new ATOM 150 N TYR A 59 -1.474 10.248 -0.403 1.00 0.00 N ATOM 151 CA TYR A 59 -0.096 10.017 -0.027 1.00 0.00 C ATOM 152 C TYR A 59 0.748 11.163 -0.559 1.00 0.00 C ATOM 153 O TYR A 59 0.864 11.357 -1.773 1.00 0.00 O ATOM 154 CB TYR A 59 0.416 8.650 -0.532 1.00 0.00 C ATOM 155 CG TYR A 59 0.753 8.592 -2.008 1.00 0.00 C ATOM 156 CD1 TYR A 59 -0.244 8.565 -2.973 1.00 0.00 C ATOM 157 CD2 TYR A 59 2.079 8.572 -2.433 1.00 0.00 C ATOM 158 CE1 TYR A 59 0.069 8.527 -4.318 1.00 0.00 C ATOM 159 CE2 TYR A 59 2.397 8.532 -3.777 1.00 0.00 C ATOM 160 CZ TYR A 59 1.388 8.508 -4.715 1.00 0.00 C ATOM 161 OH TYR A 59 1.696 8.473 -6.055 1.00 0.00 O ATOM 0 H TYR A 59 -1.707 9.990 -1.362 1.00 0.00 H new ATOM 0 HA TYR A 59 -0.020 9.984 1.060 1.00 0.00 H new ATOM 0 HB2 TYR A 59 1.305 8.380 0.038 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -0.341 7.895 -0.319 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -1.280 8.574 -2.668 1.00 0.00 H new ATOM 0 HD2 TYR A 59 2.872 8.588 -1.700 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -0.719 8.512 -5.057 1.00 0.00 H new ATOM 0 HE2 TYR A 59 3.430 8.520 -4.090 1.00 0.00 H new ATOM 0 HH TYR A 59 2.670 8.465 -6.167 1.00 0.00 H new ATOM 171 N GLU A 60 1.310 11.928 0.374 1.00 0.00 N ATOM 172 CA GLU A 60 2.126 13.106 0.075 1.00 0.00 C ATOM 173 C GLU A 60 1.344 14.185 -0.687 1.00 0.00 C ATOM 174 O GLU A 60 1.130 15.287 -0.173 1.00 0.00 O ATOM 175 CB GLU A 60 3.391 12.700 -0.672 1.00 0.00 C ATOM 176 CG GLU A 60 4.209 11.677 0.097 1.00 0.00 C ATOM 177 CD GLU A 60 4.638 12.176 1.466 1.00 0.00 C ATOM 178 OE1 GLU A 60 5.443 13.130 1.533 1.00 0.00 O ATOM 179 OE2 GLU A 60 4.174 11.615 2.483 1.00 0.00 O ATOM 0 H GLU A 60 1.211 11.746 1.373 1.00 0.00 H new ATOM 0 HA GLU A 60 2.414 13.554 1.026 1.00 0.00 H new ATOM 0 HB2 GLU A 60 3.120 12.289 -1.645 1.00 0.00 H new ATOM 0 HB3 GLU A 60 4.001 13.584 -0.858 1.00 0.00 H new ATOM 0 HG2 GLU A 60 3.624 10.765 0.215 1.00 0.00 H new ATOM 0 HG3 GLU A 60 5.094 11.416 -0.483 1.00 0.00 H new ATOM 186 N GLY A 61 0.915 13.866 -1.895 1.00 0.00 N ATOM 187 CA GLY A 61 0.163 14.811 -2.700 1.00 0.00 C ATOM 188 C GLY A 61 -0.690 14.163 -3.789 1.00 0.00 C ATOM 189 O GLY A 61 -1.277 14.865 -4.611 1.00 0.00 O ATOM 0 H GLY A 61 1.074 12.962 -2.339 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -0.484 15.395 -2.046 1.00 0.00 H new ATOM 0 HA3 GLY A 61 0.858 15.509 -3.166 1.00 0.00 H new ATOM 193 N LYS A 62 -0.763 12.834 -3.818 1.00 0.00 N ATOM 194 CA LYS A 62 -1.631 12.146 -4.775 1.00 0.00 C ATOM 195 C LYS A 62 -2.650 11.298 -4.027 1.00 0.00 C ATOM 196 O LYS A 62 -2.403 10.886 -2.900 1.00 0.00 O ATOM 197 CB LYS A 62 -0.823 11.259 -5.719 1.00 0.00 C ATOM 198 CG LYS A 62 -1.640 10.747 -6.894 1.00 0.00 C ATOM 199 CD LYS A 62 -0.912 9.668 -7.675 1.00 0.00 C ATOM 200 CE LYS A 62 0.322 10.204 -8.383 1.00 0.00 C ATOM 201 NZ LYS A 62 1.003 9.144 -9.174 1.00 0.00 N ATOM 0 H LYS A 62 -0.239 12.217 -3.198 1.00 0.00 H new ATOM 0 HA LYS A 62 -2.143 12.902 -5.371 1.00 0.00 H new ATOM 0 HB2 LYS A 62 0.032 11.821 -6.095 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -0.426 10.410 -5.162 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -2.588 10.352 -6.530 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -1.876 11.578 -7.559 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -0.620 8.866 -6.997 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -1.590 9.234 -8.410 1.00 0.00 H new ATOM 0 HE2 LYS A 62 0.037 11.024 -9.042 1.00 0.00 H new ATOM 0 HE3 LYS A 62 1.015 10.612 -7.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 1.840 9.545 -9.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 1.297 8.373 -8.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 0.349 8.772 -9.892 1.00 0.00 H new ATOM 215 N GLU A 63 -3.781 11.027 -4.655 1.00 0.00 N ATOM 216 CA GLU A 63 -4.832 10.244 -4.016 1.00 0.00 C ATOM 217 C GLU A 63 -4.969 8.865 -4.650 1.00 0.00 C ATOM 218 O GLU A 63 -4.937 8.713 -5.873 1.00 0.00 O ATOM 219 CB GLU A 63 -6.161 10.989 -4.067 1.00 0.00 C ATOM 220 CG GLU A 63 -6.208 12.187 -3.134 1.00 0.00 C ATOM 221 CD GLU A 63 -7.522 12.932 -3.192 1.00 0.00 C ATOM 222 OE1 GLU A 63 -8.512 12.443 -2.611 1.00 0.00 O ATOM 223 OE2 GLU A 63 -7.562 14.022 -3.797 1.00 0.00 O ATOM 0 H GLU A 63 -3.998 11.335 -5.603 1.00 0.00 H new ATOM 0 HA GLU A 63 -4.549 10.102 -2.973 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -6.344 11.324 -5.088 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -6.966 10.302 -3.807 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -6.032 11.851 -2.112 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -5.398 12.870 -3.389 1.00 0.00 H new ATOM 230 N PHE A 64 -5.122 7.865 -3.798 1.00 0.00 N ATOM 231 CA PHE A 64 -5.235 6.482 -4.225 1.00 0.00 C ATOM 232 C PHE A 64 -6.333 5.766 -3.452 1.00 0.00 C ATOM 233 O PHE A 64 -6.907 6.338 -2.531 1.00 0.00 O ATOM 234 CB PHE A 64 -3.907 5.763 -4.017 1.00 0.00 C ATOM 235 CG PHE A 64 -3.259 5.324 -5.296 1.00 0.00 C ATOM 236 CD1 PHE A 64 -3.698 4.192 -5.960 1.00 0.00 C ATOM 237 CD2 PHE A 64 -2.216 6.053 -5.838 1.00 0.00 C ATOM 238 CE1 PHE A 64 -3.106 3.794 -7.143 1.00 0.00 C ATOM 239 CE2 PHE A 64 -1.618 5.660 -7.019 1.00 0.00 C ATOM 240 CZ PHE A 64 -2.065 4.529 -7.674 1.00 0.00 C ATOM 0 H PHE A 64 -5.171 7.991 -2.787 1.00 0.00 H new ATOM 0 HA PHE A 64 -5.492 6.470 -5.284 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -3.225 6.423 -3.481 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -4.070 4.891 -3.383 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -4.512 3.614 -5.549 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -1.865 6.940 -5.332 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -3.457 2.909 -7.652 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -0.802 6.236 -7.430 1.00 0.00 H new ATOM 0 HZ PHE A 64 -1.601 4.220 -8.599 1.00 0.00 H new ATOM 250 N ASP A 65 -6.615 4.517 -3.825 1.00 0.00 N ATOM 251 CA ASP A 65 -7.669 3.733 -3.173 1.00 0.00 C ATOM 252 C ASP A 65 -7.386 3.658 -1.682 1.00 0.00 C ATOM 253 O ASP A 65 -8.112 4.217 -0.861 1.00 0.00 O ATOM 254 CB ASP A 65 -7.711 2.302 -3.733 1.00 0.00 C ATOM 255 CG ASP A 65 -9.084 1.853 -4.192 1.00 0.00 C ATOM 256 OD1 ASP A 65 -10.097 2.386 -3.694 1.00 0.00 O ATOM 257 OD2 ASP A 65 -9.143 0.944 -5.051 1.00 0.00 O ATOM 0 H ASP A 65 -6.129 4.025 -4.575 1.00 0.00 H new ATOM 0 HA ASP A 65 -8.626 4.219 -3.361 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -7.019 2.232 -4.572 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -7.353 1.614 -2.967 1.00 0.00 H new ATOM 262 N TYR A 66 -6.299 2.974 -1.362 1.00 0.00 N ATOM 263 CA TYR A 66 -5.845 2.801 0.008 1.00 0.00 C ATOM 264 C TYR A 66 -4.324 2.797 0.022 1.00 0.00 C ATOM 265 O TYR A 66 -3.716 2.014 -0.694 1.00 0.00 O ATOM 266 CB TYR A 66 -6.355 1.468 0.575 1.00 0.00 C ATOM 267 CG TYR A 66 -7.861 1.354 0.669 1.00 0.00 C ATOM 268 CD1 TYR A 66 -8.606 0.861 -0.395 1.00 0.00 C ATOM 269 CD2 TYR A 66 -8.535 1.726 1.825 1.00 0.00 C ATOM 270 CE1 TYR A 66 -9.981 0.746 -0.313 1.00 0.00 C ATOM 271 CE2 TYR A 66 -9.910 1.610 1.918 1.00 0.00 C ATOM 272 CZ TYR A 66 -10.629 1.120 0.845 1.00 0.00 C ATOM 273 OH TYR A 66 -12.000 0.996 0.931 1.00 0.00 O ATOM 0 H TYR A 66 -5.702 2.519 -2.053 1.00 0.00 H new ATOM 0 HA TYR A 66 -6.231 3.616 0.620 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -5.981 0.657 -0.050 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -5.931 1.326 1.569 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -8.102 0.562 -1.302 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -7.976 2.112 2.665 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -10.545 0.365 -1.152 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -10.419 1.901 2.825 1.00 0.00 H new ATOM 0 HH TYR A 66 -12.301 1.301 1.812 1.00 0.00 H new ATOM 283 N VAL A 67 -3.696 3.670 0.794 1.00 0.00 N ATOM 284 CA VAL A 67 -2.246 3.640 0.890 1.00 0.00 C ATOM 285 C VAL A 67 -1.824 3.233 2.294 1.00 0.00 C ATOM 286 O VAL A 67 -2.498 3.546 3.276 1.00 0.00 O ATOM 287 CB VAL A 67 -1.561 4.979 0.500 1.00 0.00 C ATOM 288 CG1 VAL A 67 -2.374 5.724 -0.545 1.00 0.00 C ATOM 289 CG2 VAL A 67 -1.281 5.861 1.711 1.00 0.00 C ATOM 0 H VAL A 67 -4.154 4.392 1.351 1.00 0.00 H new ATOM 0 HA VAL A 67 -1.910 2.901 0.162 1.00 0.00 H new ATOM 0 HB VAL A 67 -0.595 4.726 0.064 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -1.872 6.657 -0.799 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -2.469 5.108 -1.439 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -3.365 5.942 -0.147 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -0.802 6.784 1.386 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -2.219 6.096 2.214 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -0.622 5.334 2.400 1.00 0.00 H new ATOM 299 N PHE A 68 -0.722 2.518 2.369 1.00 0.00 N ATOM 300 CA PHE A 68 -0.175 2.071 3.636 1.00 0.00 C ATOM 301 C PHE A 68 0.888 3.055 4.111 1.00 0.00 C ATOM 302 O PHE A 68 1.503 3.750 3.308 1.00 0.00 O ATOM 303 CB PHE A 68 0.420 0.669 3.463 1.00 0.00 C ATOM 304 CG PHE A 68 1.020 0.075 4.710 1.00 0.00 C ATOM 305 CD1 PHE A 68 0.326 0.083 5.909 1.00 0.00 C ATOM 306 CD2 PHE A 68 2.283 -0.488 4.678 1.00 0.00 C ATOM 307 CE1 PHE A 68 0.884 -0.461 7.051 1.00 0.00 C ATOM 308 CE2 PHE A 68 2.846 -1.034 5.816 1.00 0.00 C ATOM 309 CZ PHE A 68 2.145 -1.021 7.003 1.00 0.00 C ATOM 0 H PHE A 68 -0.179 2.229 1.555 1.00 0.00 H new ATOM 0 HA PHE A 68 -0.964 2.028 4.387 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -0.361 0.001 3.100 1.00 0.00 H new ATOM 0 HB3 PHE A 68 1.189 0.709 2.691 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -0.661 0.519 5.952 1.00 0.00 H new ATOM 0 HD2 PHE A 68 2.837 -0.501 3.751 1.00 0.00 H new ATOM 0 HE1 PHE A 68 0.334 -0.448 7.980 1.00 0.00 H new ATOM 0 HE2 PHE A 68 3.833 -1.470 5.775 1.00 0.00 H new ATOM 0 HZ PHE A 68 2.581 -1.448 7.894 1.00 0.00 H new ATOM 319 N SER A 69 1.091 3.121 5.409 1.00 0.00 N ATOM 320 CA SER A 69 2.121 3.973 5.971 1.00 0.00 C ATOM 321 C SER A 69 3.319 3.114 6.339 1.00 0.00 C ATOM 322 O SER A 69 3.210 2.200 7.156 1.00 0.00 O ATOM 323 CB SER A 69 1.581 4.708 7.193 1.00 0.00 C ATOM 324 OG SER A 69 0.363 5.365 6.892 1.00 0.00 O ATOM 0 H SER A 69 0.555 2.594 6.098 1.00 0.00 H new ATOM 0 HA SER A 69 2.429 4.721 5.240 1.00 0.00 H new ATOM 0 HB2 SER A 69 1.425 4.001 8.008 1.00 0.00 H new ATOM 0 HB3 SER A 69 2.315 5.436 7.538 1.00 0.00 H new ATOM 0 HG SER A 69 0.035 5.828 7.691 1.00 0.00 H new ATOM 330 N ILE A 70 4.454 3.398 5.725 1.00 0.00 N ATOM 331 CA ILE A 70 5.616 2.542 5.846 1.00 0.00 C ATOM 332 C ILE A 70 6.760 3.235 6.568 1.00 0.00 C ATOM 333 O ILE A 70 7.333 4.215 6.083 1.00 0.00 O ATOM 334 CB ILE A 70 6.090 2.091 4.447 1.00 0.00 C ATOM 335 CG1 ILE A 70 4.993 1.277 3.764 1.00 0.00 C ATOM 336 CG2 ILE A 70 7.385 1.301 4.532 1.00 0.00 C ATOM 337 CD1 ILE A 70 5.376 0.743 2.403 1.00 0.00 C ATOM 0 H ILE A 70 4.594 4.219 5.136 1.00 0.00 H new ATOM 0 HA ILE A 70 5.321 1.675 6.437 1.00 0.00 H new ATOM 0 HB ILE A 70 6.292 2.978 3.847 1.00 0.00 H new ATOM 0 HG12 ILE A 70 4.723 0.440 4.408 1.00 0.00 H new ATOM 0 HG13 ILE A 70 4.104 1.900 3.661 1.00 0.00 H new ATOM 0 HG21 ILE A 70 7.693 0.998 3.531 1.00 0.00 H new ATOM 0 HG22 ILE A 70 8.162 1.922 4.978 1.00 0.00 H new ATOM 0 HG23 ILE A 70 7.231 0.415 5.148 1.00 0.00 H new ATOM 0 HD11 ILE A 70 4.543 0.177 1.987 1.00 0.00 H new ATOM 0 HD12 ILE A 70 5.617 1.574 1.741 1.00 0.00 H new ATOM 0 HD13 ILE A 70 6.245 0.092 2.499 1.00 0.00 H new ATOM 349 N ASP A 71 7.072 2.719 7.739 1.00 0.00 N ATOM 350 CA ASP A 71 8.276 3.087 8.455 1.00 0.00 C ATOM 351 C ASP A 71 9.278 1.953 8.319 1.00 0.00 C ATOM 352 O ASP A 71 8.938 0.798 8.580 1.00 0.00 O ATOM 353 CB ASP A 71 7.989 3.324 9.942 1.00 0.00 C ATOM 354 CG ASP A 71 7.052 4.486 10.203 1.00 0.00 C ATOM 355 OD1 ASP A 71 5.820 4.300 10.100 1.00 0.00 O ATOM 356 OD2 ASP A 71 7.542 5.584 10.544 1.00 0.00 O ATOM 0 H ASP A 71 6.496 2.030 8.223 1.00 0.00 H new ATOM 0 HA ASP A 71 8.669 4.012 8.033 1.00 0.00 H new ATOM 0 HB2 ASP A 71 7.558 2.418 10.369 1.00 0.00 H new ATOM 0 HB3 ASP A 71 8.931 3.504 10.461 1.00 0.00 H new ATOM 361 N VAL A 72 10.498 2.259 7.900 1.00 0.00 N ATOM 362 CA VAL A 72 11.551 1.251 7.901 1.00 0.00 C ATOM 363 C VAL A 72 11.893 0.890 9.341 1.00 0.00 C ATOM 364 O VAL A 72 12.106 -0.280 9.663 1.00 0.00 O ATOM 365 CB VAL A 72 12.817 1.717 7.146 1.00 0.00 C ATOM 366 CG1 VAL A 72 12.570 1.702 5.648 1.00 0.00 C ATOM 367 CG2 VAL A 72 13.253 3.108 7.595 1.00 0.00 C ATOM 0 H VAL A 72 10.781 3.178 7.561 1.00 0.00 H new ATOM 0 HA VAL A 72 11.179 0.374 7.372 1.00 0.00 H new ATOM 0 HB VAL A 72 13.623 1.022 7.382 1.00 0.00 H new ATOM 0 HG11 VAL A 72 13.469 2.032 5.128 1.00 0.00 H new ATOM 0 HG12 VAL A 72 12.318 0.690 5.331 1.00 0.00 H new ATOM 0 HG13 VAL A 72 11.745 2.373 5.409 1.00 0.00 H new ATOM 0 HG21 VAL A 72 14.146 3.405 7.044 1.00 0.00 H new ATOM 0 HG22 VAL A 72 12.452 3.821 7.400 1.00 0.00 H new ATOM 0 HG23 VAL A 72 13.473 3.093 8.662 1.00 0.00 H new ATOM 377 N ASN A 73 11.920 1.928 10.180 1.00 0.00 N ATOM 378 CA ASN A 73 12.040 1.827 11.639 1.00 0.00 C ATOM 379 C ASN A 73 12.573 3.147 12.141 1.00 0.00 C ATOM 380 O ASN A 73 12.034 3.738 13.077 1.00 0.00 O ATOM 381 CB ASN A 73 12.976 0.699 12.095 1.00 0.00 C ATOM 382 CG ASN A 73 12.758 0.290 13.546 1.00 0.00 C ATOM 383 OD1 ASN A 73 12.304 1.213 14.383 1.00 0.00 O flip ATOM 384 ND2 ASN A 73 12.993 -0.859 13.914 1.00 0.00 N flip ATOM 0 H ASN A 73 11.857 2.892 9.854 1.00 0.00 H new ATOM 0 HA ASN A 73 11.056 1.594 12.046 1.00 0.00 H new ATOM 0 HB2 ASN A 73 12.828 -0.169 11.453 1.00 0.00 H new ATOM 0 HB3 ASN A 73 14.010 1.019 11.965 1.00 0.00 H new ATOM 0 HD21 ASN A 73 13.342 -1.547 13.247 1.00 0.00 H new ATOM 0 HD22 ASN A 73 12.839 -1.124 14.887 1.00 0.00 H new ATOM 391 N GLU A 74 13.641 3.595 11.503 1.00 0.00 N ATOM 392 CA GLU A 74 14.159 4.930 11.715 1.00 0.00 C ATOM 393 C GLU A 74 13.065 5.938 11.401 1.00 0.00 C ATOM 394 O GLU A 74 12.316 5.758 10.433 1.00 0.00 O ATOM 395 CB GLU A 74 15.364 5.172 10.807 1.00 0.00 C ATOM 396 CG GLU A 74 16.414 4.077 10.889 1.00 0.00 C ATOM 397 CD GLU A 74 17.536 4.273 9.896 1.00 0.00 C ATOM 398 OE1 GLU A 74 17.317 4.035 8.690 1.00 0.00 O ATOM 399 OE2 GLU A 74 18.642 4.669 10.317 1.00 0.00 O ATOM 0 H GLU A 74 14.169 3.044 10.827 1.00 0.00 H new ATOM 0 HA GLU A 74 14.475 5.040 12.752 1.00 0.00 H new ATOM 0 HB2 GLU A 74 15.021 5.259 9.776 1.00 0.00 H new ATOM 0 HB3 GLU A 74 15.823 6.125 11.071 1.00 0.00 H new ATOM 0 HG2 GLU A 74 16.827 4.049 11.897 1.00 0.00 H new ATOM 0 HG3 GLU A 74 15.941 3.111 10.711 1.00 0.00 H new ATOM 406 N GLY A 75 12.951 6.968 12.223 1.00 0.00 N ATOM 407 CA GLY A 75 11.924 7.973 12.023 1.00 0.00 C ATOM 408 C GLY A 75 12.231 8.884 10.851 1.00 0.00 C ATOM 409 O GLY A 75 12.299 10.105 11.000 1.00 0.00 O ATOM 0 H GLY A 75 13.554 7.129 13.030 1.00 0.00 H new ATOM 0 HA2 GLY A 75 10.965 7.482 11.857 1.00 0.00 H new ATOM 0 HA3 GLY A 75 11.823 8.571 12.929 1.00 0.00 H new ATOM 413 N GLY A 76 12.421 8.286 9.688 1.00 0.00 N ATOM 414 CA GLY A 76 12.748 9.049 8.504 1.00 0.00 C ATOM 415 C GLY A 76 13.619 8.270 7.538 1.00 0.00 C ATOM 416 O GLY A 76 14.583 7.621 7.952 1.00 0.00 O ATOM 0 H GLY A 76 12.354 7.279 9.542 1.00 0.00 H new ATOM 0 HA2 GLY A 76 11.828 9.346 8.001 1.00 0.00 H new ATOM 0 HA3 GLY A 76 13.262 9.965 8.795 1.00 0.00 H new ATOM 420 N PRO A 77 13.296 8.306 6.240 1.00 0.00 N ATOM 421 CA PRO A 77 12.146 9.030 5.733 1.00 0.00 C ATOM 422 C PRO A 77 10.874 8.191 5.779 1.00 0.00 C ATOM 423 O PRO A 77 10.922 6.962 5.697 1.00 0.00 O ATOM 424 CB PRO A 77 12.542 9.354 4.293 1.00 0.00 C ATOM 425 CG PRO A 77 13.538 8.310 3.899 1.00 0.00 C ATOM 426 CD PRO A 77 14.029 7.638 5.162 1.00 0.00 C ATOM 0 HA PRO A 77 11.916 9.914 6.327 1.00 0.00 H new ATOM 0 HB2 PRO A 77 11.673 9.334 3.635 1.00 0.00 H new ATOM 0 HB3 PRO A 77 12.973 10.353 4.221 1.00 0.00 H new ATOM 0 HG2 PRO A 77 13.082 7.580 3.231 1.00 0.00 H new ATOM 0 HG3 PRO A 77 14.370 8.761 3.358 1.00 0.00 H new ATOM 0 HD2 PRO A 77 13.825 6.567 5.147 1.00 0.00 H new ATOM 0 HD3 PRO A 77 15.106 7.756 5.282 1.00 0.00 H new ATOM 434 N SER A 78 9.742 8.857 5.930 1.00 0.00 N ATOM 435 CA SER A 78 8.465 8.174 6.008 1.00 0.00 C ATOM 436 C SER A 78 7.972 7.814 4.613 1.00 0.00 C ATOM 437 O SER A 78 7.903 8.671 3.725 1.00 0.00 O ATOM 438 CB SER A 78 7.448 9.056 6.729 1.00 0.00 C ATOM 439 OG SER A 78 7.969 9.515 7.967 1.00 0.00 O ATOM 0 H SER A 78 9.683 9.873 6.001 1.00 0.00 H new ATOM 0 HA SER A 78 8.589 7.251 6.574 1.00 0.00 H new ATOM 0 HB2 SER A 78 7.188 9.908 6.100 1.00 0.00 H new ATOM 0 HB3 SER A 78 6.530 8.494 6.901 1.00 0.00 H new ATOM 0 HG SER A 78 7.304 10.080 8.413 1.00 0.00 H new ATOM 445 N TYR A 79 7.640 6.545 4.422 1.00 0.00 N ATOM 446 CA TYR A 79 7.204 6.054 3.128 1.00 0.00 C ATOM 447 C TYR A 79 5.712 5.787 3.159 1.00 0.00 C ATOM 448 O TYR A 79 5.155 5.535 4.221 1.00 0.00 O ATOM 449 CB TYR A 79 7.939 4.759 2.780 1.00 0.00 C ATOM 450 CG TYR A 79 9.444 4.882 2.787 1.00 0.00 C ATOM 451 CD1 TYR A 79 10.103 5.638 1.827 1.00 0.00 C ATOM 452 CD2 TYR A 79 10.204 4.237 3.751 1.00 0.00 C ATOM 453 CE1 TYR A 79 11.479 5.748 1.833 1.00 0.00 C ATOM 454 CE2 TYR A 79 11.580 4.342 3.761 1.00 0.00 C ATOM 455 CZ TYR A 79 12.213 5.097 2.799 1.00 0.00 C ATOM 456 OH TYR A 79 13.583 5.197 2.805 1.00 0.00 O ATOM 0 H TYR A 79 7.666 5.835 5.154 1.00 0.00 H new ATOM 0 HA TYR A 79 7.428 6.808 2.374 1.00 0.00 H new ATOM 0 HB2 TYR A 79 7.645 3.985 3.490 1.00 0.00 H new ATOM 0 HB3 TYR A 79 7.617 4.425 1.793 1.00 0.00 H new ATOM 0 HD1 TYR A 79 9.531 6.147 1.065 1.00 0.00 H new ATOM 0 HD2 TYR A 79 9.711 3.643 4.506 1.00 0.00 H new ATOM 0 HE1 TYR A 79 11.978 6.343 1.082 1.00 0.00 H new ATOM 0 HE2 TYR A 79 12.157 3.835 4.520 1.00 0.00 H new ATOM 0 HH TYR A 79 13.946 4.678 3.553 1.00 0.00 H new ATOM 466 N LYS A 80 5.066 5.854 2.008 1.00 0.00 N ATOM 467 CA LYS A 80 3.663 5.472 1.898 1.00 0.00 C ATOM 468 C LYS A 80 3.491 4.550 0.694 1.00 0.00 C ATOM 469 O LYS A 80 4.163 4.719 -0.322 1.00 0.00 O ATOM 470 CB LYS A 80 2.735 6.696 1.764 1.00 0.00 C ATOM 471 CG LYS A 80 2.936 7.753 2.844 1.00 0.00 C ATOM 472 CD LYS A 80 2.749 7.188 4.247 1.00 0.00 C ATOM 473 CE LYS A 80 1.308 7.244 4.721 1.00 0.00 C ATOM 474 NZ LYS A 80 0.736 8.612 4.607 1.00 0.00 N ATOM 0 H LYS A 80 5.488 6.169 1.134 1.00 0.00 H new ATOM 0 HA LYS A 80 3.379 4.955 2.815 1.00 0.00 H new ATOM 0 HB2 LYS A 80 2.895 7.154 0.788 1.00 0.00 H new ATOM 0 HB3 LYS A 80 1.699 6.357 1.791 1.00 0.00 H new ATOM 0 HG2 LYS A 80 3.937 8.175 2.755 1.00 0.00 H new ATOM 0 HG3 LYS A 80 2.231 8.569 2.686 1.00 0.00 H new ATOM 0 HD2 LYS A 80 3.092 6.153 4.265 1.00 0.00 H new ATOM 0 HD3 LYS A 80 3.377 7.744 4.943 1.00 0.00 H new ATOM 0 HE2 LYS A 80 0.706 6.550 4.135 1.00 0.00 H new ATOM 0 HE3 LYS A 80 1.255 6.914 5.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -0.028 8.728 5.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 1.480 9.316 4.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 0.356 8.751 3.649 1.00 0.00 H new ATOM 488 N LEU A 81 2.597 3.583 0.810 1.00 0.00 N ATOM 489 CA LEU A 81 2.411 2.576 -0.228 1.00 0.00 C ATOM 490 C LEU A 81 1.003 2.675 -0.806 1.00 0.00 C ATOM 491 O LEU A 81 0.069 2.090 -0.265 1.00 0.00 O ATOM 492 CB LEU A 81 2.611 1.178 0.358 1.00 0.00 C ATOM 493 CG LEU A 81 3.202 0.122 -0.579 1.00 0.00 C ATOM 494 CD1 LEU A 81 2.646 -1.242 -0.236 1.00 0.00 C ATOM 495 CD2 LEU A 81 2.939 0.449 -2.039 1.00 0.00 C ATOM 0 H LEU A 81 1.983 3.471 1.617 1.00 0.00 H new ATOM 0 HA LEU A 81 3.143 2.751 -1.017 1.00 0.00 H new ATOM 0 HB2 LEU A 81 3.261 1.263 1.229 1.00 0.00 H new ATOM 0 HB3 LEU A 81 1.646 0.816 0.714 1.00 0.00 H new ATOM 0 HG LEU A 81 4.283 0.118 -0.437 1.00 0.00 H new ATOM 0 HD11 LEU A 81 3.072 -1.988 -0.907 1.00 0.00 H new ATOM 0 HD12 LEU A 81 2.903 -1.491 0.793 1.00 0.00 H new ATOM 0 HD13 LEU A 81 1.562 -1.231 -0.346 1.00 0.00 H new ATOM 0 HD21 LEU A 81 3.375 -0.326 -2.670 1.00 0.00 H new ATOM 0 HD22 LEU A 81 1.864 0.496 -2.213 1.00 0.00 H new ATOM 0 HD23 LEU A 81 3.389 1.411 -2.283 1.00 0.00 H new ATOM 507 N PRO A 82 0.828 3.433 -1.892 1.00 0.00 N ATOM 508 CA PRO A 82 -0.465 3.572 -2.569 1.00 0.00 C ATOM 509 C PRO A 82 -0.918 2.279 -3.228 1.00 0.00 C ATOM 510 O PRO A 82 -0.157 1.646 -3.953 1.00 0.00 O ATOM 511 CB PRO A 82 -0.195 4.627 -3.641 1.00 0.00 C ATOM 512 CG PRO A 82 1.047 5.304 -3.198 1.00 0.00 C ATOM 513 CD PRO A 82 1.864 4.233 -2.547 1.00 0.00 C ATOM 0 HA PRO A 82 -1.257 3.837 -1.868 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -0.069 4.171 -4.623 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -1.023 5.331 -3.721 1.00 0.00 H new ATOM 0 HG2 PRO A 82 1.577 5.746 -4.041 1.00 0.00 H new ATOM 0 HG3 PRO A 82 0.828 6.112 -2.500 1.00 0.00 H new ATOM 0 HD2 PRO A 82 2.433 3.652 -3.273 1.00 0.00 H new ATOM 0 HD3 PRO A 82 2.580 4.640 -1.833 1.00 0.00 H new ATOM 521 N TYR A 83 -2.165 1.911 -2.995 1.00 0.00 N ATOM 522 CA TYR A 83 -2.714 0.681 -3.525 1.00 0.00 C ATOM 523 C TYR A 83 -4.052 0.954 -4.182 1.00 0.00 C ATOM 524 O TYR A 83 -4.879 1.682 -3.637 1.00 0.00 O ATOM 525 CB TYR A 83 -2.873 -0.356 -2.402 1.00 0.00 C ATOM 526 CG TYR A 83 -3.648 -1.592 -2.807 1.00 0.00 C ATOM 527 CD1 TYR A 83 -3.288 -2.327 -3.927 1.00 0.00 C ATOM 528 CD2 TYR A 83 -4.736 -2.025 -2.058 1.00 0.00 C ATOM 529 CE1 TYR A 83 -3.992 -3.458 -4.294 1.00 0.00 C ATOM 530 CE2 TYR A 83 -5.444 -3.154 -2.419 1.00 0.00 C ATOM 531 CZ TYR A 83 -5.069 -3.865 -3.538 1.00 0.00 C ATOM 532 OH TYR A 83 -5.771 -4.992 -3.900 1.00 0.00 O ATOM 0 H TYR A 83 -2.821 2.455 -2.435 1.00 0.00 H new ATOM 0 HA TYR A 83 -2.030 0.281 -4.273 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -1.884 -0.657 -2.058 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -3.375 0.114 -1.557 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -2.444 -2.010 -4.522 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -5.032 -1.470 -1.180 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -3.699 -4.020 -5.169 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -6.287 -3.478 -1.827 1.00 0.00 H new ATOM 0 HH TYR A 83 -5.441 -5.320 -4.763 1.00 0.00 H new ATOM 542 N ASN A 84 -4.242 0.400 -5.367 1.00 0.00 N ATOM 543 CA ASN A 84 -5.534 0.434 -6.031 1.00 0.00 C ATOM 544 C ASN A 84 -6.092 -0.977 -6.002 1.00 0.00 C ATOM 545 O ASN A 84 -5.425 -1.906 -6.446 1.00 0.00 O ATOM 546 CB ASN A 84 -5.394 0.917 -7.477 1.00 0.00 C ATOM 547 CG ASN A 84 -6.577 1.747 -7.960 1.00 0.00 C ATOM 548 OD1 ASN A 84 -7.764 1.500 -7.428 1.00 0.00 O flip ATOM 549 ND2 ASN A 84 -6.416 2.626 -8.806 1.00 0.00 N flip ATOM 0 H ASN A 84 -3.512 -0.082 -5.892 1.00 0.00 H new ATOM 0 HA ASN A 84 -6.202 1.128 -5.521 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -4.484 1.510 -7.567 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -5.277 0.052 -8.130 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -5.489 2.793 -9.198 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -7.209 3.187 -9.115 1.00 0.00 H new ATOM 556 N THR A 85 -7.301 -1.137 -5.487 1.00 0.00 N ATOM 557 CA THR A 85 -7.843 -2.461 -5.176 1.00 0.00 C ATOM 558 C THR A 85 -7.968 -3.370 -6.407 1.00 0.00 C ATOM 559 O THR A 85 -8.202 -4.572 -6.278 1.00 0.00 O ATOM 560 CB THR A 85 -9.208 -2.336 -4.475 1.00 0.00 C ATOM 561 OG1 THR A 85 -10.105 -1.565 -5.289 1.00 0.00 O ATOM 562 CG2 THR A 85 -9.050 -1.658 -3.121 1.00 0.00 C ATOM 0 H THR A 85 -7.932 -0.365 -5.273 1.00 0.00 H new ATOM 0 HA THR A 85 -7.125 -2.933 -4.505 1.00 0.00 H new ATOM 0 HB THR A 85 -9.614 -3.337 -4.327 1.00 0.00 H new ATOM 0 HG1 THR A 85 -9.908 -0.611 -5.180 1.00 0.00 H new ATOM 0 HG21 THR A 85 -10.024 -1.577 -2.639 1.00 0.00 H new ATOM 0 HG22 THR A 85 -8.382 -2.249 -2.494 1.00 0.00 H new ATOM 0 HG23 THR A 85 -8.630 -0.662 -3.260 1.00 0.00 H new ATOM 570 N SER A 86 -7.808 -2.799 -7.594 1.00 0.00 N ATOM 571 CA SER A 86 -7.884 -3.569 -8.827 1.00 0.00 C ATOM 572 C SER A 86 -6.537 -4.212 -9.181 1.00 0.00 C ATOM 573 O SER A 86 -6.452 -5.002 -10.120 1.00 0.00 O ATOM 574 CB SER A 86 -8.331 -2.660 -9.967 1.00 0.00 C ATOM 575 OG SER A 86 -9.460 -1.884 -9.594 1.00 0.00 O ATOM 0 H SER A 86 -7.625 -1.805 -7.728 1.00 0.00 H new ATOM 0 HA SER A 86 -8.608 -4.370 -8.678 1.00 0.00 H new ATOM 0 HB2 SER A 86 -7.511 -2.000 -10.252 1.00 0.00 H new ATOM 0 HB3 SER A 86 -8.574 -3.263 -10.842 1.00 0.00 H new ATOM 0 HG SER A 86 -9.724 -1.309 -10.343 1.00 0.00 H new ATOM 581 N ASP A 87 -5.491 -3.880 -8.432 1.00 0.00 N ATOM 582 CA ASP A 87 -4.145 -4.353 -8.754 1.00 0.00 C ATOM 583 C ASP A 87 -3.690 -5.419 -7.757 1.00 0.00 C ATOM 584 O ASP A 87 -4.318 -5.621 -6.712 1.00 0.00 O ATOM 585 CB ASP A 87 -3.161 -3.176 -8.772 1.00 0.00 C ATOM 586 CG ASP A 87 -1.810 -3.547 -9.364 1.00 0.00 C ATOM 587 OD1 ASP A 87 -1.783 -4.125 -10.474 1.00 0.00 O ATOM 588 OD2 ASP A 87 -0.775 -3.243 -8.738 1.00 0.00 O ATOM 0 H ASP A 87 -5.546 -3.289 -7.602 1.00 0.00 H new ATOM 0 HA ASP A 87 -4.167 -4.806 -9.745 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -3.592 -2.357 -9.347 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -3.019 -2.811 -7.755 1.00 0.00 H new ATOM 593 N ASP A 88 -2.602 -6.106 -8.090 1.00 0.00 N ATOM 594 CA ASP A 88 -2.101 -7.205 -7.273 1.00 0.00 C ATOM 595 C ASP A 88 -1.154 -6.710 -6.193 1.00 0.00 C ATOM 596 O ASP A 88 -0.435 -5.736 -6.399 1.00 0.00 O ATOM 597 CB ASP A 88 -1.354 -8.232 -8.125 1.00 0.00 C ATOM 598 CG ASP A 88 -2.232 -8.922 -9.145 1.00 0.00 C ATOM 599 OD1 ASP A 88 -2.435 -8.366 -10.243 1.00 0.00 O ATOM 600 OD2 ASP A 88 -2.709 -10.040 -8.857 1.00 0.00 O ATOM 0 H ASP A 88 -2.048 -5.919 -8.925 1.00 0.00 H new ATOM 0 HA ASP A 88 -2.973 -7.668 -6.811 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -0.532 -7.736 -8.641 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -0.912 -8.983 -7.470 1.00 0.00 H new ATOM 605 N PRO A 89 -1.118 -7.391 -5.041 1.00 0.00 N ATOM 606 CA PRO A 89 -0.210 -7.057 -3.941 1.00 0.00 C ATOM 607 C PRO A 89 1.222 -6.911 -4.414 1.00 0.00 C ATOM 608 O PRO A 89 1.835 -5.849 -4.293 1.00 0.00 O ATOM 609 CB PRO A 89 -0.312 -8.267 -2.998 1.00 0.00 C ATOM 610 CG PRO A 89 -1.102 -9.295 -3.741 1.00 0.00 C ATOM 611 CD PRO A 89 -1.956 -8.545 -4.711 1.00 0.00 C ATOM 0 HA PRO A 89 -0.478 -6.108 -3.476 1.00 0.00 H new ATOM 0 HB2 PRO A 89 0.677 -8.645 -2.739 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -0.804 -7.995 -2.064 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -0.443 -9.992 -4.260 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -1.714 -9.884 -3.058 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -2.190 -9.142 -5.592 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -2.906 -8.244 -4.268 1.00 0.00 H new ATOM 619 N TRP A 90 1.726 -7.996 -4.966 1.00 0.00 N ATOM 620 CA TRP A 90 3.099 -8.092 -5.419 1.00 0.00 C ATOM 621 C TRP A 90 3.426 -6.987 -6.424 1.00 0.00 C ATOM 622 O TRP A 90 4.502 -6.406 -6.380 1.00 0.00 O ATOM 623 CB TRP A 90 3.290 -9.480 -6.029 1.00 0.00 C ATOM 624 CG TRP A 90 4.670 -9.784 -6.528 1.00 0.00 C ATOM 625 CD1 TRP A 90 5.762 -10.079 -5.772 1.00 0.00 C ATOM 626 CD2 TRP A 90 5.096 -9.861 -7.896 1.00 0.00 C ATOM 627 NE1 TRP A 90 6.845 -10.323 -6.581 1.00 0.00 N ATOM 628 CE2 TRP A 90 6.463 -10.193 -7.887 1.00 0.00 C ATOM 629 CE3 TRP A 90 4.459 -9.678 -9.125 1.00 0.00 C ATOM 630 CZ2 TRP A 90 7.202 -10.346 -9.057 1.00 0.00 C ATOM 631 CZ3 TRP A 90 5.194 -9.829 -10.286 1.00 0.00 C ATOM 632 CH2 TRP A 90 6.552 -10.158 -10.244 1.00 0.00 C ATOM 0 H TRP A 90 1.186 -8.848 -5.115 1.00 0.00 H new ATOM 0 HA TRP A 90 3.784 -7.958 -4.582 1.00 0.00 H new ATOM 0 HB2 TRP A 90 3.021 -10.226 -5.281 1.00 0.00 H new ATOM 0 HB3 TRP A 90 2.591 -9.592 -6.857 1.00 0.00 H new ATOM 0 HD1 TRP A 90 5.775 -10.116 -4.693 1.00 0.00 H new ATOM 0 HE1 TRP A 90 7.783 -10.563 -6.259 1.00 0.00 H new ATOM 0 HE3 TRP A 90 3.410 -9.423 -9.168 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 8.250 -10.604 -9.027 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 4.711 -9.690 -11.242 1.00 0.00 H new ATOM 0 HH2 TRP A 90 7.099 -10.266 -11.169 1.00 0.00 H new ATOM 643 N LEU A 91 2.482 -6.678 -7.305 1.00 0.00 N ATOM 644 CA LEU A 91 2.699 -5.653 -8.324 1.00 0.00 C ATOM 645 C LEU A 91 2.703 -4.255 -7.720 1.00 0.00 C ATOM 646 O LEU A 91 3.596 -3.456 -8.002 1.00 0.00 O ATOM 647 CB LEU A 91 1.610 -5.731 -9.391 1.00 0.00 C ATOM 648 CG LEU A 91 1.593 -7.007 -10.221 1.00 0.00 C ATOM 649 CD1 LEU A 91 0.455 -6.969 -11.225 1.00 0.00 C ATOM 650 CD2 LEU A 91 2.925 -7.183 -10.926 1.00 0.00 C ATOM 0 H LEU A 91 1.563 -7.119 -7.336 1.00 0.00 H new ATOM 0 HA LEU A 91 3.675 -5.841 -8.772 1.00 0.00 H new ATOM 0 HB2 LEU A 91 0.641 -5.623 -8.904 1.00 0.00 H new ATOM 0 HB3 LEU A 91 1.725 -4.882 -10.065 1.00 0.00 H new ATOM 0 HG LEU A 91 1.434 -7.858 -9.559 1.00 0.00 H new ATOM 0 HD11 LEU A 91 0.456 -7.888 -11.811 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -0.494 -6.877 -10.696 1.00 0.00 H new ATOM 0 HD13 LEU A 91 0.585 -6.115 -11.890 1.00 0.00 H new ATOM 0 HD21 LEU A 91 2.905 -8.098 -11.518 1.00 0.00 H new ATOM 0 HD22 LEU A 91 3.105 -6.331 -11.581 1.00 0.00 H new ATOM 0 HD23 LEU A 91 3.723 -7.247 -10.186 1.00 0.00 H new ATOM 662 N THR A 92 1.715 -3.972 -6.879 1.00 0.00 N ATOM 663 CA THR A 92 1.622 -2.680 -6.212 1.00 0.00 C ATOM 664 C THR A 92 2.854 -2.444 -5.349 1.00 0.00 C ATOM 665 O THR A 92 3.479 -1.379 -5.391 1.00 0.00 O ATOM 666 CB THR A 92 0.359 -2.600 -5.329 1.00 0.00 C ATOM 667 OG1 THR A 92 -0.820 -2.739 -6.136 1.00 0.00 O ATOM 668 CG2 THR A 92 0.306 -1.288 -4.564 1.00 0.00 C ATOM 0 H THR A 92 0.965 -4.622 -6.643 1.00 0.00 H new ATOM 0 HA THR A 92 1.560 -1.911 -6.982 1.00 0.00 H new ATOM 0 HB THR A 92 0.402 -3.416 -4.608 1.00 0.00 H new ATOM 0 HG1 THR A 92 -0.563 -2.825 -7.078 1.00 0.00 H new ATOM 0 HG21 THR A 92 -0.595 -1.261 -3.951 1.00 0.00 H new ATOM 0 HG22 THR A 92 1.184 -1.205 -3.923 1.00 0.00 H new ATOM 0 HG23 THR A 92 0.291 -0.456 -5.268 1.00 0.00 H new ATOM 676 N ALA A 93 3.208 -3.470 -4.591 1.00 0.00 N ATOM 677 CA ALA A 93 4.351 -3.426 -3.711 1.00 0.00 C ATOM 678 C ALA A 93 5.640 -3.279 -4.500 1.00 0.00 C ATOM 679 O ALA A 93 6.512 -2.492 -4.134 1.00 0.00 O ATOM 680 CB ALA A 93 4.382 -4.692 -2.881 1.00 0.00 C ATOM 0 H ALA A 93 2.705 -4.357 -4.573 1.00 0.00 H new ATOM 0 HA ALA A 93 4.264 -2.559 -3.056 1.00 0.00 H new ATOM 0 HB1 ALA A 93 5.243 -4.668 -2.213 1.00 0.00 H new ATOM 0 HB2 ALA A 93 3.467 -4.764 -2.292 1.00 0.00 H new ATOM 0 HB3 ALA A 93 4.458 -5.557 -3.540 1.00 0.00 H new ATOM 686 N TYR A 94 5.750 -4.021 -5.597 1.00 0.00 N ATOM 687 CA TYR A 94 6.946 -3.986 -6.418 1.00 0.00 C ATOM 688 C TYR A 94 7.090 -2.608 -7.043 1.00 0.00 C ATOM 689 O TYR A 94 8.190 -2.076 -7.142 1.00 0.00 O ATOM 690 CB TYR A 94 6.881 -5.044 -7.523 1.00 0.00 C ATOM 691 CG TYR A 94 8.238 -5.392 -8.094 1.00 0.00 C ATOM 692 CD1 TYR A 94 8.863 -4.535 -8.981 1.00 0.00 C ATOM 693 CD2 TYR A 94 8.894 -6.561 -7.737 1.00 0.00 C ATOM 694 CE1 TYR A 94 10.109 -4.827 -9.501 1.00 0.00 C ATOM 695 CE2 TYR A 94 10.141 -6.865 -8.251 1.00 0.00 C ATOM 696 CZ TYR A 94 10.744 -5.994 -9.133 1.00 0.00 C ATOM 697 OH TYR A 94 11.990 -6.286 -9.642 1.00 0.00 O ATOM 0 H TYR A 94 5.024 -4.652 -5.935 1.00 0.00 H new ATOM 0 HA TYR A 94 7.807 -4.200 -5.785 1.00 0.00 H new ATOM 0 HB2 TYR A 94 6.418 -5.947 -7.126 1.00 0.00 H new ATOM 0 HB3 TYR A 94 6.238 -4.683 -8.326 1.00 0.00 H new ATOM 0 HD1 TYR A 94 8.368 -3.621 -9.273 1.00 0.00 H new ATOM 0 HD2 TYR A 94 8.423 -7.245 -7.046 1.00 0.00 H new ATOM 0 HE1 TYR A 94 10.583 -4.145 -10.192 1.00 0.00 H new ATOM 0 HE2 TYR A 94 10.639 -7.779 -7.963 1.00 0.00 H new ATOM 0 HH TYR A 94 12.298 -7.144 -9.282 1.00 0.00 H new ATOM 707 N ASN A 95 5.961 -2.041 -7.451 1.00 0.00 N ATOM 708 CA ASN A 95 5.938 -0.724 -8.081 1.00 0.00 C ATOM 709 C ASN A 95 6.519 0.332 -7.148 1.00 0.00 C ATOM 710 O ASN A 95 7.370 1.122 -7.547 1.00 0.00 O ATOM 711 CB ASN A 95 4.505 -0.345 -8.463 1.00 0.00 C ATOM 712 CG ASN A 95 4.441 0.880 -9.358 1.00 0.00 C ATOM 713 OD1 ASN A 95 5.332 1.116 -10.174 1.00 0.00 O ATOM 714 ND2 ASN A 95 3.387 1.668 -9.213 1.00 0.00 N ATOM 0 H ASN A 95 5.043 -2.475 -7.356 1.00 0.00 H new ATOM 0 HA ASN A 95 6.550 -0.768 -8.982 1.00 0.00 H new ATOM 0 HB2 ASN A 95 4.034 -1.186 -8.972 1.00 0.00 H new ATOM 0 HB3 ASN A 95 3.929 -0.158 -7.557 1.00 0.00 H new ATOM 0 HD21 ASN A 95 3.293 2.505 -9.789 1.00 0.00 H new ATOM 0 HD22 ASN A 95 2.669 1.438 -8.525 1.00 0.00 H new ATOM 721 N PHE A 96 6.078 0.326 -5.895 1.00 0.00 N ATOM 722 CA PHE A 96 6.604 1.252 -4.899 1.00 0.00 C ATOM 723 C PHE A 96 8.048 0.902 -4.556 1.00 0.00 C ATOM 724 O PHE A 96 8.892 1.789 -4.409 1.00 0.00 O ATOM 725 CB PHE A 96 5.734 1.239 -3.638 1.00 0.00 C ATOM 726 CG PHE A 96 6.313 2.033 -2.498 1.00 0.00 C ATOM 727 CD1 PHE A 96 6.516 3.396 -2.628 1.00 0.00 C ATOM 728 CD2 PHE A 96 6.664 1.418 -1.305 1.00 0.00 C ATOM 729 CE1 PHE A 96 7.054 4.134 -1.592 1.00 0.00 C ATOM 730 CE2 PHE A 96 7.203 2.152 -0.266 1.00 0.00 C ATOM 731 CZ PHE A 96 7.398 3.511 -0.410 1.00 0.00 C ATOM 0 H PHE A 96 5.359 -0.308 -5.545 1.00 0.00 H new ATOM 0 HA PHE A 96 6.583 2.257 -5.319 1.00 0.00 H new ATOM 0 HB2 PHE A 96 4.749 1.636 -3.882 1.00 0.00 H new ATOM 0 HB3 PHE A 96 5.591 0.208 -3.316 1.00 0.00 H new ATOM 0 HD1 PHE A 96 6.250 3.889 -3.552 1.00 0.00 H new ATOM 0 HD2 PHE A 96 6.514 0.355 -1.187 1.00 0.00 H new ATOM 0 HE1 PHE A 96 7.205 5.197 -1.707 1.00 0.00 H new ATOM 0 HE2 PHE A 96 7.472 1.663 0.659 1.00 0.00 H new ATOM 0 HZ PHE A 96 7.819 4.086 0.402 1.00 0.00 H new ATOM 741 N LEU A 97 8.331 -0.392 -4.456 1.00 0.00 N ATOM 742 CA LEU A 97 9.665 -0.859 -4.098 1.00 0.00 C ATOM 743 C LEU A 97 10.707 -0.419 -5.120 1.00 0.00 C ATOM 744 O LEU A 97 11.744 0.119 -4.758 1.00 0.00 O ATOM 745 CB LEU A 97 9.677 -2.378 -3.989 1.00 0.00 C ATOM 746 CG LEU A 97 10.335 -2.922 -2.732 1.00 0.00 C ATOM 747 CD1 LEU A 97 9.488 -2.575 -1.521 1.00 0.00 C ATOM 748 CD2 LEU A 97 10.523 -4.420 -2.843 1.00 0.00 C ATOM 0 H LEU A 97 7.653 -1.137 -4.618 1.00 0.00 H new ATOM 0 HA LEU A 97 9.920 -0.416 -3.135 1.00 0.00 H new ATOM 0 HB2 LEU A 97 8.649 -2.739 -4.030 1.00 0.00 H new ATOM 0 HB3 LEU A 97 10.193 -2.786 -4.858 1.00 0.00 H new ATOM 0 HG LEU A 97 11.318 -2.465 -2.615 1.00 0.00 H new ATOM 0 HD11 LEU A 97 9.962 -2.966 -0.621 1.00 0.00 H new ATOM 0 HD12 LEU A 97 9.395 -1.492 -1.440 1.00 0.00 H new ATOM 0 HD13 LEU A 97 8.498 -3.017 -1.631 1.00 0.00 H new ATOM 0 HD21 LEU A 97 10.995 -4.796 -1.935 1.00 0.00 H new ATOM 0 HD22 LEU A 97 9.553 -4.900 -2.972 1.00 0.00 H new ATOM 0 HD23 LEU A 97 11.156 -4.645 -3.701 1.00 0.00 H new ATOM 760 N GLN A 98 10.414 -0.626 -6.395 1.00 0.00 N ATOM 761 CA GLN A 98 11.336 -0.246 -7.460 1.00 0.00 C ATOM 762 C GLN A 98 11.426 1.270 -7.556 1.00 0.00 C ATOM 763 O GLN A 98 12.493 1.827 -7.830 1.00 0.00 O ATOM 764 CB GLN A 98 10.908 -0.836 -8.810 1.00 0.00 C ATOM 765 CG GLN A 98 9.587 -0.292 -9.314 1.00 0.00 C ATOM 766 CD GLN A 98 9.250 -0.737 -10.724 1.00 0.00 C ATOM 767 OE1 GLN A 98 9.706 -1.916 -11.107 1.00 0.00 O flip ATOM 768 NE2 GLN A 98 8.583 -0.018 -11.467 1.00 0.00 N flip ATOM 0 H GLN A 98 9.547 -1.054 -6.719 1.00 0.00 H new ATOM 0 HA GLN A 98 12.318 -0.651 -7.214 1.00 0.00 H new ATOM 0 HB2 GLN A 98 11.682 -0.631 -9.549 1.00 0.00 H new ATOM 0 HB3 GLN A 98 10.834 -1.920 -8.717 1.00 0.00 H new ATOM 0 HG2 GLN A 98 8.791 -0.610 -8.641 1.00 0.00 H new ATOM 0 HG3 GLN A 98 9.615 0.797 -9.282 1.00 0.00 H new ATOM 0 HE21 GLN A 98 8.248 0.887 -11.135 1.00 0.00 H new ATOM 0 HE22 GLN A 98 8.365 -0.327 -12.414 1.00 0.00 H new ATOM 777 N LYS A 99 10.294 1.925 -7.328 1.00 0.00 N ATOM 778 CA LYS A 99 10.187 3.370 -7.453 1.00 0.00 C ATOM 779 C LYS A 99 11.039 4.073 -6.401 1.00 0.00 C ATOM 780 O LYS A 99 11.764 5.016 -6.713 1.00 0.00 O ATOM 781 CB LYS A 99 8.710 3.775 -7.325 1.00 0.00 C ATOM 782 CG LYS A 99 8.426 5.262 -7.480 1.00 0.00 C ATOM 783 CD LYS A 99 8.648 6.017 -6.181 1.00 0.00 C ATOM 784 CE LYS A 99 8.222 7.475 -6.307 1.00 0.00 C ATOM 785 NZ LYS A 99 9.030 8.208 -7.323 1.00 0.00 N ATOM 0 H LYS A 99 9.425 1.468 -7.051 1.00 0.00 H new ATOM 0 HA LYS A 99 10.561 3.676 -8.430 1.00 0.00 H new ATOM 0 HB2 LYS A 99 8.135 3.232 -8.076 1.00 0.00 H new ATOM 0 HB3 LYS A 99 8.345 3.452 -6.350 1.00 0.00 H new ATOM 0 HG2 LYS A 99 9.070 5.676 -8.256 1.00 0.00 H new ATOM 0 HG3 LYS A 99 7.397 5.403 -7.811 1.00 0.00 H new ATOM 0 HD2 LYS A 99 8.084 5.539 -5.380 1.00 0.00 H new ATOM 0 HD3 LYS A 99 9.701 5.966 -5.904 1.00 0.00 H new ATOM 0 HE2 LYS A 99 7.168 7.522 -6.580 1.00 0.00 H new ATOM 0 HE3 LYS A 99 8.323 7.967 -5.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 8.790 9.220 -7.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 10.042 8.086 -7.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 8.822 7.831 -8.270 1.00 0.00 H new ATOM 799 N ASN A 100 10.969 3.597 -5.162 1.00 0.00 N ATOM 800 CA ASN A 100 11.713 4.224 -4.074 1.00 0.00 C ATOM 801 C ASN A 100 13.091 3.589 -3.940 1.00 0.00 C ATOM 802 O ASN A 100 13.935 4.051 -3.169 1.00 0.00 O ATOM 803 CB ASN A 100 10.956 4.102 -2.749 1.00 0.00 C ATOM 804 CG ASN A 100 11.436 5.107 -1.715 1.00 0.00 C ATOM 805 OD1 ASN A 100 12.351 4.834 -0.942 1.00 0.00 O ATOM 806 ND2 ASN A 100 10.828 6.280 -1.699 1.00 0.00 N ATOM 0 H ASN A 100 10.411 2.788 -4.887 1.00 0.00 H new ATOM 0 HA ASN A 100 11.827 5.282 -4.312 1.00 0.00 H new ATOM 0 HB2 ASN A 100 9.891 4.248 -2.927 1.00 0.00 H new ATOM 0 HB3 ASN A 100 11.078 3.093 -2.355 1.00 0.00 H new ATOM 0 HD21 ASN A 100 11.115 6.994 -1.030 1.00 0.00 H new ATOM 0 HD22 ASN A 100 10.072 6.471 -2.356 1.00 0.00 H new ATOM 813 N ASP A 101 13.293 2.523 -4.712 1.00 0.00 N ATOM 814 CA ASP A 101 14.540 1.756 -4.715 1.00 0.00 C ATOM 815 C ASP A 101 14.727 1.033 -3.382 1.00 0.00 C ATOM 816 O ASP A 101 15.810 1.030 -2.794 1.00 0.00 O ATOM 817 CB ASP A 101 15.735 2.659 -5.035 1.00 0.00 C ATOM 818 CG ASP A 101 16.998 1.880 -5.354 1.00 0.00 C ATOM 819 OD1 ASP A 101 17.051 1.237 -6.423 1.00 0.00 O ATOM 820 OD2 ASP A 101 17.950 1.921 -4.545 1.00 0.00 O ATOM 0 H ASP A 101 12.591 2.163 -5.359 1.00 0.00 H new ATOM 0 HA ASP A 101 14.480 1.001 -5.499 1.00 0.00 H new ATOM 0 HB2 ASP A 101 15.485 3.297 -5.882 1.00 0.00 H new ATOM 0 HB3 ASP A 101 15.925 3.316 -4.186 1.00 0.00 H new ATOM 825 N LEU A 102 13.647 0.429 -2.900 1.00 0.00 N ATOM 826 CA LEU A 102 13.689 -0.352 -1.677 1.00 0.00 C ATOM 827 C LEU A 102 14.296 -1.719 -1.941 1.00 0.00 C ATOM 828 O LEU A 102 14.522 -2.106 -3.088 1.00 0.00 O ATOM 829 CB LEU A 102 12.290 -0.551 -1.080 1.00 0.00 C ATOM 830 CG LEU A 102 11.583 0.695 -0.544 1.00 0.00 C ATOM 831 CD1 LEU A 102 12.551 1.843 -0.341 1.00 0.00 C ATOM 832 CD2 LEU A 102 10.442 1.087 -1.458 1.00 0.00 C ATOM 0 H LEU A 102 12.729 0.468 -3.343 1.00 0.00 H new ATOM 0 HA LEU A 102 14.301 0.204 -0.967 1.00 0.00 H new ATOM 0 HB2 LEU A 102 11.655 -0.999 -1.845 1.00 0.00 H new ATOM 0 HB3 LEU A 102 12.367 -1.273 -0.267 1.00 0.00 H new ATOM 0 HG LEU A 102 11.169 0.454 0.435 1.00 0.00 H new ATOM 0 HD11 LEU A 102 12.012 2.710 0.040 1.00 0.00 H new ATOM 0 HD12 LEU A 102 13.319 1.549 0.375 1.00 0.00 H new ATOM 0 HD13 LEU A 102 13.019 2.096 -1.292 1.00 0.00 H new ATOM 0 HD21 LEU A 102 9.948 1.975 -1.064 1.00 0.00 H new ATOM 0 HD22 LEU A 102 10.830 1.300 -2.454 1.00 0.00 H new ATOM 0 HD23 LEU A 102 9.724 0.269 -1.516 1.00 0.00 H new ATOM 844 N ASN A 103 14.541 -2.447 -0.869 1.00 0.00 N ATOM 845 CA ASN A 103 15.043 -3.806 -0.959 1.00 0.00 C ATOM 846 C ASN A 103 13.890 -4.749 -1.272 1.00 0.00 C ATOM 847 O ASN A 103 12.830 -4.666 -0.649 1.00 0.00 O ATOM 848 CB ASN A 103 15.674 -4.204 0.373 1.00 0.00 C ATOM 849 CG ASN A 103 16.547 -5.442 0.293 1.00 0.00 C ATOM 850 OD1 ASN A 103 17.165 -5.724 -0.726 1.00 0.00 O ATOM 851 ND2 ASN A 103 16.606 -6.185 1.384 1.00 0.00 N ATOM 0 H ASN A 103 14.399 -2.116 0.085 1.00 0.00 H new ATOM 0 HA ASN A 103 15.791 -3.867 -1.749 1.00 0.00 H new ATOM 0 HB2 ASN A 103 16.273 -3.372 0.743 1.00 0.00 H new ATOM 0 HB3 ASN A 103 14.882 -4.376 1.102 1.00 0.00 H new ATOM 0 HD21 ASN A 103 17.181 -7.027 1.397 1.00 0.00 H new ATOM 0 HD22 ASN A 103 16.076 -5.916 2.213 1.00 0.00 H new ATOM 858 N PRO A 104 14.085 -5.663 -2.232 1.00 0.00 N ATOM 859 CA PRO A 104 13.058 -6.625 -2.662 1.00 0.00 C ATOM 860 C PRO A 104 12.566 -7.508 -1.520 1.00 0.00 C ATOM 861 O PRO A 104 11.562 -8.202 -1.645 1.00 0.00 O ATOM 862 CB PRO A 104 13.771 -7.462 -3.728 1.00 0.00 C ATOM 863 CG PRO A 104 14.893 -6.599 -4.196 1.00 0.00 C ATOM 864 CD PRO A 104 15.329 -5.822 -2.991 1.00 0.00 C ATOM 0 HA PRO A 104 12.163 -6.123 -3.029 1.00 0.00 H new ATOM 0 HB2 PRO A 104 14.139 -8.401 -3.314 1.00 0.00 H new ATOM 0 HB3 PRO A 104 13.099 -7.717 -4.547 1.00 0.00 H new ATOM 0 HG2 PRO A 104 15.711 -7.200 -4.593 1.00 0.00 H new ATOM 0 HG3 PRO A 104 14.569 -5.933 -4.996 1.00 0.00 H new ATOM 0 HD2 PRO A 104 16.086 -6.358 -2.418 1.00 0.00 H new ATOM 0 HD3 PRO A 104 15.760 -4.859 -3.266 1.00 0.00 H new ATOM 872 N MET A 105 13.275 -7.459 -0.401 1.00 0.00 N ATOM 873 CA MET A 105 12.871 -8.167 0.803 1.00 0.00 C ATOM 874 C MET A 105 11.605 -7.544 1.394 1.00 0.00 C ATOM 875 O MET A 105 10.832 -8.212 2.084 1.00 0.00 O ATOM 876 CB MET A 105 14.002 -8.121 1.828 1.00 0.00 C ATOM 877 CG MET A 105 13.706 -8.870 3.115 1.00 0.00 C ATOM 878 SD MET A 105 14.993 -8.645 4.357 1.00 0.00 S ATOM 879 CE MET A 105 14.868 -6.884 4.664 1.00 0.00 C ATOM 0 H MET A 105 14.142 -6.930 -0.303 1.00 0.00 H new ATOM 0 HA MET A 105 12.657 -9.204 0.545 1.00 0.00 H new ATOM 0 HB2 MET A 105 14.903 -8.537 1.377 1.00 0.00 H new ATOM 0 HB3 MET A 105 14.218 -7.080 2.068 1.00 0.00 H new ATOM 0 HG2 MET A 105 12.753 -8.529 3.519 1.00 0.00 H new ATOM 0 HG3 MET A 105 13.598 -9.932 2.897 1.00 0.00 H new ATOM 0 HE1 MET A 105 15.739 -6.379 4.247 1.00 0.00 H new ATOM 0 HE2 MET A 105 13.964 -6.496 4.194 1.00 0.00 H new ATOM 0 HE3 MET A 105 14.824 -6.704 5.738 1.00 0.00 H new ATOM 889 N PHE A 106 11.379 -6.265 1.091 1.00 0.00 N ATOM 890 CA PHE A 106 10.244 -5.545 1.648 1.00 0.00 C ATOM 891 C PHE A 106 8.996 -5.883 0.859 1.00 0.00 C ATOM 892 O PHE A 106 7.884 -5.749 1.358 1.00 0.00 O ATOM 893 CB PHE A 106 10.475 -4.030 1.613 1.00 0.00 C ATOM 894 CG PHE A 106 11.592 -3.543 2.495 1.00 0.00 C ATOM 895 CD1 PHE A 106 11.492 -3.639 3.873 1.00 0.00 C ATOM 896 CD2 PHE A 106 12.736 -2.979 1.949 1.00 0.00 C ATOM 897 CE1 PHE A 106 12.510 -3.188 4.691 1.00 0.00 C ATOM 898 CE2 PHE A 106 13.757 -2.525 2.765 1.00 0.00 C ATOM 899 CZ PHE A 106 13.644 -2.630 4.136 1.00 0.00 C ATOM 0 H PHE A 106 11.966 -5.713 0.466 1.00 0.00 H new ATOM 0 HA PHE A 106 10.124 -5.848 2.688 1.00 0.00 H new ATOM 0 HB2 PHE A 106 10.685 -3.732 0.586 1.00 0.00 H new ATOM 0 HB3 PHE A 106 9.553 -3.529 1.908 1.00 0.00 H new ATOM 0 HD1 PHE A 106 10.606 -4.072 4.314 1.00 0.00 H new ATOM 0 HD2 PHE A 106 12.830 -2.894 0.877 1.00 0.00 H new ATOM 0 HE1 PHE A 106 12.419 -3.272 5.764 1.00 0.00 H new ATOM 0 HE2 PHE A 106 14.643 -2.088 2.328 1.00 0.00 H new ATOM 0 HZ PHE A 106 14.441 -2.276 4.773 1.00 0.00 H new ATOM 909 N LEU A 107 9.211 -6.353 -0.365 1.00 0.00 N ATOM 910 CA LEU A 107 8.137 -6.646 -1.308 1.00 0.00 C ATOM 911 C LEU A 107 7.087 -7.564 -0.699 1.00 0.00 C ATOM 912 O LEU A 107 5.887 -7.338 -0.861 1.00 0.00 O ATOM 913 CB LEU A 107 8.735 -7.267 -2.571 1.00 0.00 C ATOM 914 CG LEU A 107 7.751 -7.813 -3.600 1.00 0.00 C ATOM 915 CD1 LEU A 107 6.776 -6.738 -4.021 1.00 0.00 C ATOM 916 CD2 LEU A 107 8.514 -8.315 -4.806 1.00 0.00 C ATOM 0 H LEU A 107 10.143 -6.543 -0.734 1.00 0.00 H new ATOM 0 HA LEU A 107 7.633 -5.714 -1.562 1.00 0.00 H new ATOM 0 HB2 LEU A 107 9.355 -6.515 -3.059 1.00 0.00 H new ATOM 0 HB3 LEU A 107 9.397 -8.079 -2.270 1.00 0.00 H new ATOM 0 HG LEU A 107 7.190 -8.634 -3.154 1.00 0.00 H new ATOM 0 HD11 LEU A 107 6.081 -7.145 -4.756 1.00 0.00 H new ATOM 0 HD12 LEU A 107 6.221 -6.389 -3.150 1.00 0.00 H new ATOM 0 HD13 LEU A 107 7.322 -5.904 -4.461 1.00 0.00 H new ATOM 0 HD21 LEU A 107 7.813 -8.706 -5.543 1.00 0.00 H new ATOM 0 HD22 LEU A 107 9.082 -7.495 -5.245 1.00 0.00 H new ATOM 0 HD23 LEU A 107 9.198 -9.107 -4.500 1.00 0.00 H new ATOM 928 N ASP A 108 7.536 -8.581 0.016 1.00 0.00 N ATOM 929 CA ASP A 108 6.618 -9.518 0.641 1.00 0.00 C ATOM 930 C ASP A 108 5.781 -8.833 1.715 1.00 0.00 C ATOM 931 O ASP A 108 4.564 -8.984 1.751 1.00 0.00 O ATOM 932 CB ASP A 108 7.385 -10.689 1.255 1.00 0.00 C ATOM 933 CG ASP A 108 6.468 -11.768 1.803 1.00 0.00 C ATOM 934 OD1 ASP A 108 6.007 -12.616 1.010 1.00 0.00 O ATOM 935 OD2 ASP A 108 6.215 -11.779 3.025 1.00 0.00 O ATOM 0 H ASP A 108 8.524 -8.779 0.178 1.00 0.00 H new ATOM 0 HA ASP A 108 5.949 -9.894 -0.133 1.00 0.00 H new ATOM 0 HB2 ASP A 108 8.041 -11.124 0.501 1.00 0.00 H new ATOM 0 HB3 ASP A 108 8.024 -10.319 2.057 1.00 0.00 H new ATOM 940 N GLN A 109 6.430 -8.032 2.554 1.00 0.00 N ATOM 941 CA GLN A 109 5.753 -7.434 3.696 1.00 0.00 C ATOM 942 C GLN A 109 4.706 -6.419 3.235 1.00 0.00 C ATOM 943 O GLN A 109 3.603 -6.358 3.787 1.00 0.00 O ATOM 944 CB GLN A 109 6.764 -6.785 4.657 1.00 0.00 C ATOM 945 CG GLN A 109 7.152 -5.364 4.293 1.00 0.00 C ATOM 946 CD GLN A 109 8.054 -4.710 5.324 1.00 0.00 C ATOM 947 OE1 GLN A 109 8.846 -5.376 5.989 1.00 0.00 O ATOM 948 NE2 GLN A 109 7.938 -3.399 5.464 1.00 0.00 N ATOM 0 H GLN A 109 7.415 -7.784 2.465 1.00 0.00 H new ATOM 0 HA GLN A 109 5.239 -8.227 4.238 1.00 0.00 H new ATOM 0 HB2 GLN A 109 6.344 -6.788 5.663 1.00 0.00 H new ATOM 0 HB3 GLN A 109 7.665 -7.398 4.686 1.00 0.00 H new ATOM 0 HG2 GLN A 109 7.657 -5.368 3.327 1.00 0.00 H new ATOM 0 HG3 GLN A 109 6.248 -4.765 4.178 1.00 0.00 H new ATOM 0 HE21 GLN A 109 7.269 -2.882 4.893 1.00 0.00 H new ATOM 0 HE22 GLN A 109 8.518 -2.905 6.143 1.00 0.00 H new ATOM 957 N VAL A 110 5.045 -5.630 2.221 1.00 0.00 N ATOM 958 CA VAL A 110 4.115 -4.650 1.693 1.00 0.00 C ATOM 959 C VAL A 110 2.963 -5.321 0.951 1.00 0.00 C ATOM 960 O VAL A 110 1.804 -4.982 1.176 1.00 0.00 O ATOM 961 CB VAL A 110 4.798 -3.615 0.774 1.00 0.00 C ATOM 962 CG1 VAL A 110 5.431 -2.523 1.596 1.00 0.00 C ATOM 963 CG2 VAL A 110 5.854 -4.250 -0.099 1.00 0.00 C ATOM 0 H VAL A 110 5.951 -5.652 1.754 1.00 0.00 H new ATOM 0 HA VAL A 110 3.720 -4.115 2.556 1.00 0.00 H new ATOM 0 HB VAL A 110 4.024 -3.197 0.130 1.00 0.00 H new ATOM 0 HG11 VAL A 110 5.909 -1.800 0.935 1.00 0.00 H new ATOM 0 HG12 VAL A 110 4.665 -2.022 2.188 1.00 0.00 H new ATOM 0 HG13 VAL A 110 6.178 -2.955 2.262 1.00 0.00 H new ATOM 0 HG21 VAL A 110 6.311 -3.488 -0.731 1.00 0.00 H new ATOM 0 HG22 VAL A 110 6.619 -4.707 0.529 1.00 0.00 H new ATOM 0 HG23 VAL A 110 5.396 -5.014 -0.727 1.00 0.00 H new ATOM 973 N ALA A 111 3.276 -6.296 0.096 1.00 0.00 N ATOM 974 CA ALA A 111 2.251 -6.979 -0.692 1.00 0.00 C ATOM 975 C ALA A 111 1.264 -7.712 0.209 1.00 0.00 C ATOM 976 O ALA A 111 0.057 -7.659 -0.015 1.00 0.00 O ATOM 977 CB ALA A 111 2.873 -7.957 -1.682 1.00 0.00 C ATOM 0 H ALA A 111 4.226 -6.629 -0.067 1.00 0.00 H new ATOM 0 HA ALA A 111 1.713 -6.215 -1.252 1.00 0.00 H new ATOM 0 HB1 ALA A 111 2.085 -8.448 -2.252 1.00 0.00 H new ATOM 0 HB2 ALA A 111 3.530 -7.417 -2.363 1.00 0.00 H new ATOM 0 HB3 ALA A 111 3.449 -8.706 -1.140 1.00 0.00 H new ATOM 983 N LYS A 112 1.774 -8.389 1.229 1.00 0.00 N ATOM 984 CA LYS A 112 0.920 -9.139 2.143 1.00 0.00 C ATOM 985 C LYS A 112 -0.015 -8.207 2.909 1.00 0.00 C ATOM 986 O LYS A 112 -1.176 -8.542 3.138 1.00 0.00 O ATOM 987 CB LYS A 112 1.762 -9.983 3.102 1.00 0.00 C ATOM 988 CG LYS A 112 2.534 -11.096 2.403 1.00 0.00 C ATOM 989 CD LYS A 112 1.607 -12.127 1.773 1.00 0.00 C ATOM 990 CE LYS A 112 0.936 -12.990 2.829 1.00 0.00 C ATOM 991 NZ LYS A 112 1.911 -13.876 3.523 1.00 0.00 N ATOM 0 H LYS A 112 2.770 -8.435 1.445 1.00 0.00 H new ATOM 0 HA LYS A 112 0.303 -9.815 1.551 1.00 0.00 H new ATOM 0 HB2 LYS A 112 2.465 -9.335 3.624 1.00 0.00 H new ATOM 0 HB3 LYS A 112 1.110 -10.421 3.858 1.00 0.00 H new ATOM 0 HG2 LYS A 112 3.173 -10.665 1.632 1.00 0.00 H new ATOM 0 HG3 LYS A 112 3.189 -11.589 3.121 1.00 0.00 H new ATOM 0 HD2 LYS A 112 0.847 -11.620 1.179 1.00 0.00 H new ATOM 0 HD3 LYS A 112 2.175 -12.760 1.091 1.00 0.00 H new ATOM 0 HE2 LYS A 112 0.442 -12.350 3.560 1.00 0.00 H new ATOM 0 HE3 LYS A 112 0.161 -13.598 2.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 1.400 -14.636 4.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 2.561 -14.291 2.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 2.454 -13.320 4.214 1.00 0.00 H new ATOM 1005 N PHE A 113 0.475 -7.025 3.276 1.00 0.00 N ATOM 1006 CA PHE A 113 -0.376 -6.044 3.946 1.00 0.00 C ATOM 1007 C PHE A 113 -1.419 -5.509 2.966 1.00 0.00 C ATOM 1008 O PHE A 113 -2.569 -5.267 3.334 1.00 0.00 O ATOM 1009 CB PHE A 113 0.448 -4.892 4.520 1.00 0.00 C ATOM 1010 CG PHE A 113 -0.241 -4.197 5.662 1.00 0.00 C ATOM 1011 CD1 PHE A 113 -1.258 -3.284 5.431 1.00 0.00 C ATOM 1012 CD2 PHE A 113 0.126 -4.469 6.968 1.00 0.00 C ATOM 1013 CE1 PHE A 113 -1.897 -2.657 6.485 1.00 0.00 C ATOM 1014 CE2 PHE A 113 -0.505 -3.844 8.025 1.00 0.00 C ATOM 1015 CZ PHE A 113 -1.518 -2.938 7.784 1.00 0.00 C ATOM 0 H PHE A 113 1.439 -6.726 3.125 1.00 0.00 H new ATOM 0 HA PHE A 113 -0.879 -6.540 4.776 1.00 0.00 H new ATOM 0 HB2 PHE A 113 1.411 -5.274 4.860 1.00 0.00 H new ATOM 0 HB3 PHE A 113 0.653 -4.169 3.731 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -1.555 -3.060 4.417 1.00 0.00 H new ATOM 0 HD2 PHE A 113 0.916 -5.179 7.163 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -2.690 -1.950 6.294 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -0.206 -4.064 9.039 1.00 0.00 H new ATOM 0 HZ PHE A 113 -2.014 -2.449 8.610 1.00 0.00 H new ATOM 1025 N ILE A 114 -1.002 -5.334 1.713 1.00 0.00 N ATOM 1026 CA ILE A 114 -1.911 -4.959 0.640 1.00 0.00 C ATOM 1027 C ILE A 114 -3.044 -5.975 0.531 1.00 0.00 C ATOM 1028 O ILE A 114 -4.214 -5.617 0.370 1.00 0.00 O ATOM 1029 CB ILE A 114 -1.161 -4.911 -0.701 1.00 0.00 C ATOM 1030 CG1 ILE A 114 -0.201 -3.726 -0.738 1.00 0.00 C ATOM 1031 CG2 ILE A 114 -2.138 -4.843 -1.859 1.00 0.00 C ATOM 1032 CD1 ILE A 114 0.904 -3.897 -1.753 1.00 0.00 C ATOM 0 H ILE A 114 -0.032 -5.448 1.418 1.00 0.00 H new ATOM 0 HA ILE A 114 -2.319 -3.974 0.868 1.00 0.00 H new ATOM 0 HB ILE A 114 -0.578 -5.827 -0.799 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -0.760 -2.819 -0.966 1.00 0.00 H new ATOM 0 HG13 ILE A 114 0.238 -3.589 0.250 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -1.587 -4.810 -2.799 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -2.780 -5.724 -1.846 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -2.751 -3.946 -1.766 1.00 0.00 H new ATOM 0 HD11 ILE A 114 1.555 -3.023 -1.733 1.00 0.00 H new ATOM 0 HD12 ILE A 114 1.485 -4.787 -1.512 1.00 0.00 H new ATOM 0 HD13 ILE A 114 0.471 -4.005 -2.748 1.00 0.00 H new ATOM 1044 N ILE A 115 -2.674 -7.244 0.626 1.00 0.00 N ATOM 1045 CA ILE A 115 -3.636 -8.327 0.592 1.00 0.00 C ATOM 1046 C ILE A 115 -4.603 -8.215 1.755 1.00 0.00 C ATOM 1047 O ILE A 115 -5.808 -8.309 1.565 1.00 0.00 O ATOM 1048 CB ILE A 115 -2.937 -9.697 0.636 1.00 0.00 C ATOM 1049 CG1 ILE A 115 -2.262 -9.971 -0.706 1.00 0.00 C ATOM 1050 CG2 ILE A 115 -3.935 -10.796 0.994 1.00 0.00 C ATOM 1051 CD1 ILE A 115 -1.161 -10.999 -0.637 1.00 0.00 C ATOM 0 H ILE A 115 -1.705 -7.547 0.728 1.00 0.00 H new ATOM 0 HA ILE A 115 -4.186 -8.248 -0.346 1.00 0.00 H new ATOM 0 HB ILE A 115 -2.170 -9.687 1.411 1.00 0.00 H new ATOM 0 HG12 ILE A 115 -3.015 -10.307 -1.419 1.00 0.00 H new ATOM 0 HG13 ILE A 115 -1.851 -9.038 -1.092 1.00 0.00 H new ATOM 0 HG21 ILE A 115 -3.423 -11.758 1.020 1.00 0.00 H new ATOM 0 HG22 ILE A 115 -4.369 -10.589 1.972 1.00 0.00 H new ATOM 0 HG23 ILE A 115 -4.726 -10.827 0.245 1.00 0.00 H new ATOM 0 HD11 ILE A 115 -0.731 -11.139 -1.629 1.00 0.00 H new ATOM 0 HD12 ILE A 115 -0.387 -10.657 0.050 1.00 0.00 H new ATOM 0 HD13 ILE A 115 -1.569 -11.945 -0.282 1.00 0.00 H new ATOM 1063 N ASP A 116 -4.067 -7.992 2.950 1.00 0.00 N ATOM 1064 CA ASP A 116 -4.887 -7.859 4.154 1.00 0.00 C ATOM 1065 C ASP A 116 -5.982 -6.810 3.974 1.00 0.00 C ATOM 1066 O ASP A 116 -7.102 -6.984 4.453 1.00 0.00 O ATOM 1067 CB ASP A 116 -4.020 -7.499 5.367 1.00 0.00 C ATOM 1068 CG ASP A 116 -3.543 -8.718 6.134 1.00 0.00 C ATOM 1069 OD1 ASP A 116 -4.367 -9.346 6.833 1.00 0.00 O ATOM 1070 OD2 ASP A 116 -2.343 -9.050 6.054 1.00 0.00 O ATOM 0 H ASP A 116 -3.064 -7.899 3.113 1.00 0.00 H new ATOM 0 HA ASP A 116 -5.362 -8.824 4.328 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -3.156 -6.925 5.032 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -4.590 -6.855 6.036 1.00 0.00 H new ATOM 1075 N ASN A 117 -5.659 -5.736 3.261 1.00 0.00 N ATOM 1076 CA ASN A 117 -6.616 -4.657 2.997 1.00 0.00 C ATOM 1077 C ASN A 117 -7.804 -5.150 2.157 1.00 0.00 C ATOM 1078 O ASN A 117 -8.878 -4.551 2.169 1.00 0.00 O ATOM 1079 CB ASN A 117 -5.909 -3.486 2.300 1.00 0.00 C ATOM 1080 CG ASN A 117 -6.847 -2.337 1.955 1.00 0.00 C ATOM 1081 OD1 ASN A 117 -7.115 -1.470 2.783 1.00 0.00 O ATOM 1082 ND2 ASN A 117 -7.330 -2.311 0.722 1.00 0.00 N ATOM 0 H ASN A 117 -4.737 -5.585 2.852 1.00 0.00 H new ATOM 0 HA ASN A 117 -7.012 -4.314 3.953 1.00 0.00 H new ATOM 0 HB2 ASN A 117 -5.113 -3.115 2.945 1.00 0.00 H new ATOM 0 HB3 ASN A 117 -5.437 -3.847 1.387 1.00 0.00 H new ATOM 0 HD21 ASN A 117 -7.947 -1.553 0.432 1.00 0.00 H new ATOM 0 HD22 ASN A 117 -7.085 -3.049 0.062 1.00 0.00 H new ATOM 1089 N THR A 118 -7.614 -6.242 1.429 1.00 0.00 N ATOM 1090 CA THR A 118 -8.684 -6.830 0.631 1.00 0.00 C ATOM 1091 C THR A 118 -9.047 -8.230 1.139 1.00 0.00 C ATOM 1092 O THR A 118 -9.887 -8.925 0.561 1.00 0.00 O ATOM 1093 CB THR A 118 -8.290 -6.902 -0.859 1.00 0.00 C ATOM 1094 OG1 THR A 118 -6.905 -7.261 -0.983 1.00 0.00 O ATOM 1095 CG2 THR A 118 -8.545 -5.574 -1.561 1.00 0.00 C ATOM 0 H THR A 118 -6.726 -6.741 1.374 1.00 0.00 H new ATOM 0 HA THR A 118 -9.556 -6.184 0.732 1.00 0.00 H new ATOM 0 HB THR A 118 -8.907 -7.663 -1.336 1.00 0.00 H new ATOM 0 HG1 THR A 118 -6.619 -7.745 -0.180 1.00 0.00 H new ATOM 0 HG21 THR A 118 -8.258 -5.656 -2.609 1.00 0.00 H new ATOM 0 HG22 THR A 118 -9.604 -5.324 -1.493 1.00 0.00 H new ATOM 0 HG23 THR A 118 -7.956 -4.791 -1.083 1.00 0.00 H new ATOM 1103 N LYS A 119 -8.409 -8.628 2.229 1.00 0.00 N ATOM 1104 CA LYS A 119 -8.575 -9.965 2.786 1.00 0.00 C ATOM 1105 C LYS A 119 -9.309 -9.884 4.130 1.00 0.00 C ATOM 1106 O LYS A 119 -9.599 -8.787 4.621 1.00 0.00 O ATOM 1107 CB LYS A 119 -7.188 -10.629 2.947 1.00 0.00 C ATOM 1108 CG LYS A 119 -7.209 -12.048 3.496 1.00 0.00 C ATOM 1109 CD LYS A 119 -5.805 -12.596 3.712 1.00 0.00 C ATOM 1110 CE LYS A 119 -4.970 -11.683 4.600 1.00 0.00 C ATOM 1111 NZ LYS A 119 -5.605 -11.440 5.924 1.00 0.00 N ATOM 0 H LYS A 119 -7.763 -8.037 2.752 1.00 0.00 H new ATOM 0 HA LYS A 119 -9.175 -10.575 2.111 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -6.693 -10.639 1.976 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -6.581 -10.010 3.608 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -7.754 -12.064 4.440 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -7.749 -12.696 2.806 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -5.867 -13.585 4.165 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -5.310 -12.717 2.748 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -3.986 -12.127 4.749 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -4.817 -10.730 4.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -4.975 -10.855 6.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -6.510 -10.946 5.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -5.774 -12.349 6.400 1.00 0.00 H new ATOM 1125 N GLY A 120 -9.631 -11.034 4.710 1.00 0.00 N ATOM 1126 CA GLY A 120 -10.199 -11.067 6.042 1.00 0.00 C ATOM 1127 C GLY A 120 -9.224 -10.557 7.090 1.00 0.00 C ATOM 1128 O GLY A 120 -8.116 -10.123 6.754 1.00 0.00 O ATOM 0 H GLY A 120 -9.507 -11.949 4.277 1.00 0.00 H new ATOM 0 HA2 GLY A 120 -11.105 -10.461 6.065 1.00 0.00 H new ATOM 0 HA3 GLY A 120 -10.492 -12.088 6.286 1.00 0.00 H new ATOM 1132 N GLN A 121 -9.637 -10.623 8.354 1.00 0.00 N ATOM 1133 CA GLN A 121 -8.864 -10.109 9.484 1.00 0.00 C ATOM 1134 C GLN A 121 -8.820 -8.581 9.458 1.00 0.00 C ATOM 1135 O GLN A 121 -9.404 -7.929 10.321 1.00 0.00 O ATOM 1136 CB GLN A 121 -7.446 -10.710 9.506 1.00 0.00 C ATOM 1137 CG GLN A 121 -6.769 -10.668 10.870 1.00 0.00 C ATOM 1138 CD GLN A 121 -5.912 -9.432 11.101 1.00 0.00 C ATOM 1139 OE1 GLN A 121 -6.165 -8.360 10.558 1.00 0.00 O ATOM 1140 NE2 GLN A 121 -4.887 -9.575 11.921 1.00 0.00 N ATOM 0 H GLN A 121 -10.528 -11.039 8.626 1.00 0.00 H new ATOM 0 HA GLN A 121 -9.363 -10.415 10.404 1.00 0.00 H new ATOM 0 HB2 GLN A 121 -7.498 -11.746 9.171 1.00 0.00 H new ATOM 0 HB3 GLN A 121 -6.825 -10.173 8.789 1.00 0.00 H new ATOM 0 HG2 GLN A 121 -7.534 -10.716 11.645 1.00 0.00 H new ATOM 0 HG3 GLN A 121 -6.146 -11.555 10.982 1.00 0.00 H new ATOM 0 HE21 GLN A 121 -4.704 -10.479 12.356 1.00 0.00 H new ATOM 0 HE22 GLN A 121 -4.278 -8.781 12.119 1.00 0.00 H new ATOM 1149 N MET A 122 -8.161 -8.015 8.456 1.00 0.00 N ATOM 1150 CA MET A 122 -7.961 -6.571 8.392 1.00 0.00 C ATOM 1151 C MET A 122 -9.193 -5.854 7.845 1.00 0.00 C ATOM 1152 O MET A 122 -9.620 -4.839 8.394 1.00 0.00 O ATOM 1153 CB MET A 122 -6.738 -6.251 7.530 1.00 0.00 C ATOM 1154 CG MET A 122 -6.464 -4.763 7.366 1.00 0.00 C ATOM 1155 SD MET A 122 -6.141 -3.933 8.935 1.00 0.00 S ATOM 1156 CE MET A 122 -5.796 -2.268 8.365 1.00 0.00 C ATOM 0 H MET A 122 -7.755 -8.532 7.676 1.00 0.00 H new ATOM 0 HA MET A 122 -7.794 -6.211 9.407 1.00 0.00 H new ATOM 0 HB2 MET A 122 -5.861 -6.724 7.973 1.00 0.00 H new ATOM 0 HB3 MET A 122 -6.876 -6.695 6.544 1.00 0.00 H new ATOM 0 HG2 MET A 122 -5.608 -4.627 6.705 1.00 0.00 H new ATOM 0 HG3 MET A 122 -7.319 -4.292 6.881 1.00 0.00 H new ATOM 0 HE1 MET A 122 -5.576 -1.629 9.220 1.00 0.00 H new ATOM 0 HE2 MET A 122 -4.938 -2.284 7.694 1.00 0.00 H new ATOM 0 HE3 MET A 122 -6.664 -1.878 7.834 1.00 0.00 H new ATOM 1166 N LEU A 123 -9.770 -6.384 6.777 1.00 0.00 N ATOM 1167 CA LEU A 123 -10.926 -5.747 6.156 1.00 0.00 C ATOM 1168 C LEU A 123 -12.179 -6.580 6.382 1.00 0.00 C ATOM 1169 O LEU A 123 -13.208 -6.074 6.826 1.00 0.00 O ATOM 1170 CB LEU A 123 -10.683 -5.568 4.654 1.00 0.00 C ATOM 1171 CG LEU A 123 -11.351 -4.345 4.006 1.00 0.00 C ATOM 1172 CD1 LEU A 123 -12.868 -4.427 4.091 1.00 0.00 C ATOM 1173 CD2 LEU A 123 -10.846 -3.068 4.658 1.00 0.00 C ATOM 0 H LEU A 123 -9.462 -7.245 6.324 1.00 0.00 H new ATOM 0 HA LEU A 123 -11.070 -4.769 6.614 1.00 0.00 H new ATOM 0 HB2 LEU A 123 -9.608 -5.503 4.485 1.00 0.00 H new ATOM 0 HB3 LEU A 123 -11.033 -6.463 4.140 1.00 0.00 H new ATOM 0 HG LEU A 123 -11.083 -4.334 2.950 1.00 0.00 H new ATOM 0 HD11 LEU A 123 -13.307 -3.546 3.623 1.00 0.00 H new ATOM 0 HD12 LEU A 123 -13.214 -5.322 3.574 1.00 0.00 H new ATOM 0 HD13 LEU A 123 -13.172 -4.472 5.137 1.00 0.00 H new ATOM 0 HD21 LEU A 123 -11.325 -2.207 4.192 1.00 0.00 H new ATOM 0 HD22 LEU A 123 -11.084 -3.084 5.722 1.00 0.00 H new ATOM 0 HD23 LEU A 123 -9.766 -2.996 4.529 1.00 0.00 H new ATOM 1185 N GLY A 124 -12.086 -7.860 6.065 1.00 0.00 N ATOM 1186 CA GLY A 124 -13.227 -8.741 6.216 1.00 0.00 C ATOM 1187 C GLY A 124 -13.440 -9.188 7.650 1.00 0.00 C ATOM 1188 O GLY A 124 -14.504 -9.705 7.985 1.00 0.00 O ATOM 0 H GLY A 124 -11.242 -8.307 5.706 1.00 0.00 H new ATOM 0 HA2 GLY A 124 -14.123 -8.231 5.863 1.00 0.00 H new ATOM 0 HA3 GLY A 124 -13.089 -9.618 5.584 1.00 0.00 H new ATOM 1192 N LEU A 125 -12.431 -8.963 8.494 1.00 0.00 N ATOM 1193 CA LEU A 125 -12.455 -9.395 9.895 1.00 0.00 C ATOM 1194 C LEU A 125 -12.655 -10.904 10.018 1.00 0.00 C ATOM 1195 O LEU A 125 -11.687 -11.664 10.009 1.00 0.00 O ATOM 1196 CB LEU A 125 -13.528 -8.650 10.701 1.00 0.00 C ATOM 1197 CG LEU A 125 -13.169 -7.221 11.120 1.00 0.00 C ATOM 1198 CD1 LEU A 125 -13.245 -6.263 9.944 1.00 0.00 C ATOM 1199 CD2 LEU A 125 -14.078 -6.760 12.247 1.00 0.00 C ATOM 0 H LEU A 125 -11.575 -8.477 8.227 1.00 0.00 H new ATOM 0 HA LEU A 125 -11.480 -9.146 10.314 1.00 0.00 H new ATOM 0 HB2 LEU A 125 -14.443 -8.617 10.110 1.00 0.00 H new ATOM 0 HB3 LEU A 125 -13.749 -9.228 11.598 1.00 0.00 H new ATOM 0 HG LEU A 125 -12.139 -7.223 11.477 1.00 0.00 H new ATOM 0 HD11 LEU A 125 -12.984 -5.258 10.276 1.00 0.00 H new ATOM 0 HD12 LEU A 125 -12.547 -6.582 9.169 1.00 0.00 H new ATOM 0 HD13 LEU A 125 -14.258 -6.261 9.541 1.00 0.00 H new ATOM 0 HD21 LEU A 125 -13.813 -5.743 12.536 1.00 0.00 H new ATOM 0 HD22 LEU A 125 -15.115 -6.783 11.911 1.00 0.00 H new ATOM 0 HD23 LEU A 125 -13.960 -7.423 13.104 1.00 0.00 H new ATOM 1211 N GLY A 126 -13.903 -11.337 10.103 1.00 0.00 N ATOM 1212 CA GLY A 126 -14.183 -12.741 10.296 1.00 0.00 C ATOM 1213 C GLY A 126 -14.136 -13.116 11.758 1.00 0.00 C ATOM 1214 O GLY A 126 -13.482 -14.087 12.145 1.00 0.00 O ATOM 0 H GLY A 126 -14.727 -10.739 10.042 1.00 0.00 H new ATOM 0 HA2 GLY A 126 -15.167 -12.977 9.890 1.00 0.00 H new ATOM 0 HA3 GLY A 126 -13.458 -13.338 9.742 1.00 0.00 H new ATOM 1218 N ASN A 127 -14.820 -12.327 12.573 1.00 0.00 N ATOM 1219 CA ASN A 127 -14.839 -12.538 14.010 1.00 0.00 C ATOM 1220 C ASN A 127 -16.176 -13.112 14.450 1.00 0.00 C ATOM 1221 O ASN A 127 -17.211 -12.456 14.327 1.00 0.00 O ATOM 1222 CB ASN A 127 -14.577 -11.223 14.754 1.00 0.00 C ATOM 1223 CG ASN A 127 -13.162 -10.710 14.567 1.00 0.00 C ATOM 1224 OD1 ASN A 127 -12.872 -9.990 13.614 1.00 0.00 O ATOM 1225 ND2 ASN A 127 -12.279 -11.063 15.488 1.00 0.00 N ATOM 0 H ASN A 127 -15.373 -11.529 12.259 1.00 0.00 H new ATOM 0 HA ASN A 127 -14.049 -13.248 14.254 1.00 0.00 H new ATOM 0 HB2 ASN A 127 -15.281 -10.468 14.405 1.00 0.00 H new ATOM 0 HB3 ASN A 127 -14.767 -11.369 15.817 1.00 0.00 H new ATOM 0 HD21 ASN A 127 -11.315 -10.735 15.423 1.00 0.00 H new ATOM 0 HD22 ASN A 127 -12.562 -11.663 16.263 1.00 0.00 H new ATOM 1232 N PRO A 128 -16.178 -14.359 14.934 1.00 0.00 N ATOM 1233 CA PRO A 128 -17.365 -14.981 15.514 1.00 0.00 C ATOM 1234 C PRO A 128 -17.667 -14.418 16.903 1.00 0.00 C ATOM 1235 O PRO A 128 -17.113 -14.937 17.895 1.00 0.00 O ATOM 1236 CB PRO A 128 -16.997 -16.473 15.598 1.00 0.00 C ATOM 1237 CG PRO A 128 -15.711 -16.615 14.846 1.00 0.00 C ATOM 1238 CD PRO A 128 -15.039 -15.279 14.929 1.00 0.00 C ATOM 1239 OXT PRO A 128 -18.442 -13.445 16.995 1.00 0.00 O ATOM 0 HA PRO A 128 -18.261 -14.797 14.921 1.00 0.00 H new ATOM 0 HB2 PRO A 128 -16.882 -16.790 16.634 1.00 0.00 H new ATOM 0 HB3 PRO A 128 -17.778 -17.094 15.159 1.00 0.00 H new ATOM 0 HG2 PRO A 128 -15.087 -17.394 15.283 1.00 0.00 H new ATOM 0 HG3 PRO A 128 -15.894 -16.897 13.809 1.00 0.00 H new ATOM 0 HD2 PRO A 128 -14.434 -15.183 15.831 1.00 0.00 H new ATOM 0 HD3 PRO A 128 -14.377 -15.103 14.081 1.00 0.00 H new TER 1247 PRO A 128