USER MOD reduce.3.24.130724 H: found=0, std=0, add=785, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 784 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 NoAdj-H: A 39 HIS HD1 : A 39 HIS ND1 : A 106 CUCU :(H bumps) USER MOD NoAdj-H: A 92 HIS HD1 : A 92 HIS ND1 : A 106 CUCU :(H bumps) USER MOD Set 1.1: A 61 HIS : no HE2:sc= -1.6 K(o=-1.6,f=-9.5!) USER MOD Set 1.2: A 72 THR OG1 : rot -120:sc= 0 USER MOD Set 2.1: A 67 SER OG : rot -176:sc= -0.396! USER MOD Set 2.2: A 70 GLN : amide:sc= 0.136 K(o=-0.26,f=-2.8) USER MOD Single : A 1 GLU N :NH3+ 180:sc= 0.22 (180deg=0.22) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ -151:sc= -0.0649 (180deg=-0.513) USER MOD Single : A 9 SER OG : rot -80:sc= 0.793 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0754) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -10! C(o=-10!,f=-21!) USER MOD Single : A 34 ASN : amide:sc= -0.591 X(o=-0.59,f=-0.76) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 48 ASN : amide:sc= -1.68 K(o=-1.7,f=-6.2!) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 87:sc= 1.09 USER MOD Single : A 57 LYS NZ :NH3+ 160:sc= 0 (180deg=-0.115) USER MOD Single : A 58 SER OG : rot 180:sc= 0.0155 USER MOD Single : A 60 SER OG : rot 140:sc= -0.892 USER MOD Single : A 62 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.151) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot -39:sc= -2.94! USER MOD Single : A 73 SER OG : rot 45:sc= 0.607 USER MOD Single : A 74 THR OG1 : rot -146:sc= 1.18 USER MOD Single : A 75 THR OG1 : rot -43:sc= 0.547 USER MOD Single : A 85 TYR OH : rot 69:sc= 0.191 USER MOD Single : A 86 THR OG1 : rot 180:sc= -1.27 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 MET CE :methyl 142:sc= -10.1! (180deg=-15.6!) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 5.299 15.539 4.464 1.00 0.00 N ATOM 2 CA GLU A 1 4.177 15.367 3.500 1.00 0.00 C ATOM 3 C GLU A 1 3.515 14.006 3.726 1.00 0.00 C ATOM 4 O GLU A 1 4.171 13.029 4.029 1.00 0.00 O ATOM 5 CB GLU A 1 4.716 15.441 2.071 1.00 0.00 C ATOM 6 CG GLU A 1 4.388 16.810 1.473 1.00 0.00 C ATOM 7 CD GLU A 1 5.487 17.807 1.845 1.00 0.00 C ATOM 8 OE1 GLU A 1 5.570 18.160 3.010 1.00 0.00 O ATOM 9 OE2 GLU A 1 6.228 18.200 0.958 1.00 0.00 O ATOM 0 H1 GLU A 1 5.749 16.464 4.311 1.00 0.00 H new ATOM 0 H2 GLU A 1 4.932 15.489 5.436 1.00 0.00 H new ATOM 0 H3 GLU A 1 6.000 14.784 4.319 1.00 0.00 H new ATOM 0 HA GLU A 1 3.443 16.158 3.652 1.00 0.00 H new ATOM 0 HB2 GLU A 1 5.794 15.280 2.069 1.00 0.00 H new ATOM 0 HB3 GLU A 1 4.275 14.651 1.463 1.00 0.00 H new ATOM 0 HG2 GLU A 1 4.303 16.734 0.389 1.00 0.00 H new ATOM 0 HG3 GLU A 1 3.425 17.159 1.844 1.00 0.00 H new ATOM 18 N THR A 2 2.221 13.935 3.582 1.00 0.00 N ATOM 19 CA THR A 2 1.519 12.638 3.790 1.00 0.00 C ATOM 20 C THR A 2 0.846 12.206 2.485 1.00 0.00 C ATOM 21 O THR A 2 -0.184 12.726 2.104 1.00 0.00 O ATOM 22 CB THR A 2 0.457 12.801 4.880 1.00 0.00 C ATOM 23 OG1 THR A 2 1.026 13.469 5.997 1.00 0.00 O ATOM 24 CG2 THR A 2 -0.049 11.423 5.310 1.00 0.00 C ATOM 0 H THR A 2 1.619 14.719 3.329 1.00 0.00 H new ATOM 0 HA THR A 2 2.241 11.880 4.095 1.00 0.00 H new ATOM 0 HB THR A 2 -0.376 13.387 4.492 1.00 0.00 H new ATOM 0 HG1 THR A 2 0.347 13.576 6.695 1.00 0.00 H new ATOM 0 HG21 THR A 2 -0.805 11.539 6.086 1.00 0.00 H new ATOM 0 HG22 THR A 2 -0.485 10.912 4.452 1.00 0.00 H new ATOM 0 HG23 THR A 2 0.783 10.835 5.699 1.00 0.00 H new ATOM 32 N TYR A 3 1.418 11.255 1.799 1.00 0.00 N ATOM 33 CA TYR A 3 0.809 10.789 0.522 1.00 0.00 C ATOM 34 C TYR A 3 -0.268 9.744 0.824 1.00 0.00 C ATOM 35 O TYR A 3 0.026 8.632 1.215 1.00 0.00 O ATOM 36 CB TYR A 3 1.892 10.167 -0.361 1.00 0.00 C ATOM 37 CG TYR A 3 2.818 11.250 -0.861 1.00 0.00 C ATOM 38 CD1 TYR A 3 2.289 12.414 -1.431 1.00 0.00 C ATOM 39 CD2 TYR A 3 4.205 11.090 -0.754 1.00 0.00 C ATOM 40 CE1 TYR A 3 3.147 13.419 -1.893 1.00 0.00 C ATOM 41 CE2 TYR A 3 5.063 12.095 -1.217 1.00 0.00 C ATOM 42 CZ TYR A 3 4.534 13.260 -1.786 1.00 0.00 C ATOM 43 OH TYR A 3 5.379 14.251 -2.242 1.00 0.00 O ATOM 0 H TYR A 3 2.280 10.781 2.068 1.00 0.00 H new ATOM 0 HA TYR A 3 0.359 11.635 0.002 1.00 0.00 H new ATOM 0 HB2 TYR A 3 2.455 9.425 0.205 1.00 0.00 H new ATOM 0 HB3 TYR A 3 1.435 9.647 -1.203 1.00 0.00 H new ATOM 0 HD1 TYR A 3 1.219 12.537 -1.514 1.00 0.00 H new ATOM 0 HD2 TYR A 3 4.613 10.192 -0.314 1.00 0.00 H new ATOM 0 HE1 TYR A 3 2.739 14.317 -2.332 1.00 0.00 H new ATOM 0 HE2 TYR A 3 6.133 11.972 -1.135 1.00 0.00 H new ATOM 0 HH TYR A 3 6.309 13.982 -2.091 1.00 0.00 H new ATOM 53 N THR A 4 -1.513 10.092 0.645 1.00 0.00 N ATOM 54 CA THR A 4 -2.606 9.118 0.923 1.00 0.00 C ATOM 55 C THR A 4 -3.247 8.677 -0.395 1.00 0.00 C ATOM 56 O THR A 4 -3.286 9.420 -1.356 1.00 0.00 O ATOM 57 CB THR A 4 -3.666 9.780 1.807 1.00 0.00 C ATOM 58 OG1 THR A 4 -3.052 10.286 2.984 1.00 0.00 O ATOM 59 CG2 THR A 4 -4.731 8.752 2.189 1.00 0.00 C ATOM 0 H THR A 4 -1.820 11.008 0.318 1.00 0.00 H new ATOM 0 HA THR A 4 -2.194 8.248 1.435 1.00 0.00 H new ATOM 0 HB THR A 4 -4.134 10.598 1.260 1.00 0.00 H new ATOM 0 HG1 THR A 4 -3.730 10.711 3.550 1.00 0.00 H new ATOM 0 HG21 THR A 4 -5.485 9.225 2.818 1.00 0.00 H new ATOM 0 HG22 THR A 4 -5.203 8.365 1.286 1.00 0.00 H new ATOM 0 HG23 THR A 4 -4.265 7.932 2.735 1.00 0.00 H new ATOM 67 N VAL A 5 -3.753 7.476 -0.448 1.00 0.00 N ATOM 68 CA VAL A 5 -4.394 6.992 -1.704 1.00 0.00 C ATOM 69 C VAL A 5 -5.892 6.799 -1.463 1.00 0.00 C ATOM 70 O VAL A 5 -6.339 6.692 -0.339 1.00 0.00 O ATOM 71 CB VAL A 5 -3.773 5.655 -2.127 1.00 0.00 C ATOM 72 CG1 VAL A 5 -3.724 5.580 -3.654 1.00 0.00 C ATOM 73 CG2 VAL A 5 -2.350 5.544 -1.572 1.00 0.00 C ATOM 0 H VAL A 5 -3.751 6.809 0.323 1.00 0.00 H new ATOM 0 HA VAL A 5 -4.236 7.726 -2.494 1.00 0.00 H new ATOM 0 HB VAL A 5 -4.379 4.838 -1.735 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -3.283 4.631 -3.958 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -4.735 5.655 -4.055 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -3.119 6.401 -4.039 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -1.914 4.592 -1.876 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -1.743 6.362 -1.961 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -2.379 5.599 -0.484 1.00 0.00 H new ATOM 83 N LYS A 6 -6.672 6.754 -2.508 1.00 0.00 N ATOM 84 CA LYS A 6 -8.140 6.567 -2.333 1.00 0.00 C ATOM 85 C LYS A 6 -8.605 5.370 -3.164 1.00 0.00 C ATOM 86 O LYS A 6 -8.785 5.467 -4.362 1.00 0.00 O ATOM 87 CB LYS A 6 -8.877 7.825 -2.798 1.00 0.00 C ATOM 88 CG LYS A 6 -8.803 8.895 -1.706 1.00 0.00 C ATOM 89 CD LYS A 6 -8.673 10.276 -2.352 1.00 0.00 C ATOM 90 CE LYS A 6 -10.042 10.734 -2.860 1.00 0.00 C ATOM 91 NZ LYS A 6 -10.210 10.311 -4.280 1.00 0.00 N ATOM 0 H LYS A 6 -6.357 6.839 -3.474 1.00 0.00 H new ATOM 0 HA LYS A 6 -8.358 6.387 -1.280 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -8.432 8.200 -3.720 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -9.918 7.588 -3.020 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -9.696 8.856 -1.083 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -7.951 8.705 -1.053 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -8.284 10.992 -1.628 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -7.962 10.238 -3.177 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -10.833 10.304 -2.245 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -10.128 11.818 -2.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -10.837 10.981 -4.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -9.283 10.298 -4.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -10.628 9.359 -4.312 1.00 0.00 H new ATOM 105 N LEU A 7 -8.805 4.241 -2.540 1.00 0.00 N ATOM 106 CA LEU A 7 -9.262 3.045 -3.296 1.00 0.00 C ATOM 107 C LEU A 7 -10.791 3.025 -3.332 1.00 0.00 C ATOM 108 O LEU A 7 -11.446 3.801 -2.664 1.00 0.00 O ATOM 109 CB LEU A 7 -8.751 1.770 -2.619 1.00 0.00 C ATOM 110 CG LEU A 7 -8.690 1.957 -1.102 1.00 0.00 C ATOM 111 CD1 LEU A 7 -8.954 0.616 -0.415 1.00 0.00 C ATOM 112 CD2 LEU A 7 -7.302 2.467 -0.707 1.00 0.00 C ATOM 0 H LEU A 7 -8.671 4.097 -1.539 1.00 0.00 H new ATOM 0 HA LEU A 7 -8.869 3.090 -4.312 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -9.407 0.934 -2.862 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -7.761 1.520 -3.001 1.00 0.00 H new ATOM 0 HG LEU A 7 -9.445 2.680 -0.793 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -8.911 0.746 0.666 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -9.941 0.251 -0.698 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -8.198 -0.106 -0.724 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -7.257 2.601 0.374 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -6.547 1.743 -1.015 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -7.111 3.421 -1.199 1.00 0.00 H new ATOM 124 N GLY A 8 -11.367 2.146 -4.105 1.00 0.00 N ATOM 125 CA GLY A 8 -12.854 2.083 -4.178 1.00 0.00 C ATOM 126 C GLY A 8 -13.357 3.072 -5.230 1.00 0.00 C ATOM 127 O GLY A 8 -13.846 4.138 -4.909 1.00 0.00 O ATOM 0 H GLY A 8 -10.874 1.470 -4.688 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -13.173 1.072 -4.432 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -13.286 2.319 -3.206 1.00 0.00 H new ATOM 131 N SER A 9 -13.245 2.729 -6.484 1.00 0.00 N ATOM 132 CA SER A 9 -13.722 3.652 -7.552 1.00 0.00 C ATOM 133 C SER A 9 -15.087 4.216 -7.157 1.00 0.00 C ATOM 134 O SER A 9 -15.235 5.397 -6.916 1.00 0.00 O ATOM 135 CB SER A 9 -13.846 2.890 -8.870 1.00 0.00 C ATOM 136 OG SER A 9 -14.851 1.892 -8.742 1.00 0.00 O ATOM 0 H SER A 9 -12.845 1.851 -6.815 1.00 0.00 H new ATOM 0 HA SER A 9 -13.010 4.468 -7.674 1.00 0.00 H new ATOM 0 HB2 SER A 9 -14.099 3.576 -9.678 1.00 0.00 H new ATOM 0 HB3 SER A 9 -12.892 2.431 -9.129 1.00 0.00 H new ATOM 0 HG SER A 9 -14.480 1.112 -8.280 1.00 0.00 H new ATOM 142 N ASP A 10 -16.085 3.380 -7.082 1.00 0.00 N ATOM 143 CA ASP A 10 -17.437 3.875 -6.693 1.00 0.00 C ATOM 144 C ASP A 10 -18.487 2.791 -6.949 1.00 0.00 C ATOM 145 O ASP A 10 -19.529 2.767 -6.324 1.00 0.00 O ATOM 146 CB ASP A 10 -17.781 5.118 -7.516 1.00 0.00 C ATOM 147 CG ASP A 10 -17.279 4.940 -8.950 1.00 0.00 C ATOM 148 OD1 ASP A 10 -17.957 4.275 -9.716 1.00 0.00 O ATOM 149 OD2 ASP A 10 -16.226 5.473 -9.259 1.00 0.00 O ATOM 0 H ASP A 10 -16.025 2.380 -7.272 1.00 0.00 H new ATOM 0 HA ASP A 10 -17.432 4.125 -5.632 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -18.859 5.280 -7.515 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -17.325 6.001 -7.068 1.00 0.00 H new ATOM 154 N LYS A 11 -18.231 1.898 -7.866 1.00 0.00 N ATOM 155 CA LYS A 11 -19.231 0.831 -8.155 1.00 0.00 C ATOM 156 C LYS A 11 -18.671 -0.537 -7.754 1.00 0.00 C ATOM 157 O LYS A 11 -18.719 -1.482 -8.515 1.00 0.00 O ATOM 158 CB LYS A 11 -19.557 0.829 -9.649 1.00 0.00 C ATOM 159 CG LYS A 11 -20.837 0.027 -9.890 1.00 0.00 C ATOM 160 CD LYS A 11 -20.913 -0.384 -11.362 1.00 0.00 C ATOM 161 CE LYS A 11 -21.668 -1.709 -11.485 1.00 0.00 C ATOM 162 NZ LYS A 11 -21.619 -2.179 -12.898 1.00 0.00 N ATOM 0 H LYS A 11 -17.378 1.861 -8.424 1.00 0.00 H new ATOM 0 HA LYS A 11 -20.137 1.028 -7.581 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -19.683 1.851 -10.006 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -18.731 0.394 -10.212 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -20.850 -0.858 -9.253 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -21.709 0.624 -9.623 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -21.418 0.389 -11.941 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -19.909 -0.486 -11.774 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -21.224 -2.455 -10.827 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -22.703 -1.581 -11.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -22.132 -3.080 -12.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -22.062 -1.469 -13.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -20.629 -2.317 -13.184 1.00 0.00 H new ATOM 176 N GLY A 12 -18.151 -0.654 -6.563 1.00 0.00 N ATOM 177 CA GLY A 12 -17.603 -1.968 -6.117 1.00 0.00 C ATOM 178 C GLY A 12 -16.134 -2.089 -6.527 1.00 0.00 C ATOM 179 O GLY A 12 -15.322 -2.627 -5.803 1.00 0.00 O ATOM 0 H GLY A 12 -18.082 0.101 -5.880 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -17.696 -2.062 -5.035 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -18.180 -2.781 -6.558 1.00 0.00 H new ATOM 183 N LEU A 13 -15.785 -1.599 -7.685 1.00 0.00 N ATOM 184 CA LEU A 13 -14.367 -1.698 -8.133 1.00 0.00 C ATOM 185 C LEU A 13 -13.493 -0.779 -7.276 1.00 0.00 C ATOM 186 O LEU A 13 -13.676 0.422 -7.249 1.00 0.00 O ATOM 187 CB LEU A 13 -14.267 -1.282 -9.601 1.00 0.00 C ATOM 188 CG LEU A 13 -14.388 -2.521 -10.489 1.00 0.00 C ATOM 189 CD1 LEU A 13 -15.865 -2.810 -10.762 1.00 0.00 C ATOM 190 CD2 LEU A 13 -13.665 -2.272 -11.814 1.00 0.00 C ATOM 0 H LEU A 13 -16.417 -1.136 -8.338 1.00 0.00 H new ATOM 0 HA LEU A 13 -14.022 -2.726 -8.024 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -15.055 -0.569 -9.843 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -13.317 -0.781 -9.785 1.00 0.00 H new ATOM 0 HG LEU A 13 -13.937 -3.375 -9.984 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -15.952 -3.693 -11.395 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -16.381 -2.987 -9.819 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -16.316 -1.956 -11.267 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -13.751 -3.155 -12.447 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -14.116 -1.418 -12.319 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -12.612 -2.065 -11.621 1.00 0.00 H new ATOM 202 N LEU A 14 -12.544 -1.338 -6.573 1.00 0.00 N ATOM 203 CA LEU A 14 -11.657 -0.503 -5.714 1.00 0.00 C ATOM 204 C LEU A 14 -10.219 -0.592 -6.227 1.00 0.00 C ATOM 205 O LEU A 14 -9.576 -1.619 -6.137 1.00 0.00 O ATOM 206 CB LEU A 14 -11.729 -1.008 -4.272 1.00 0.00 C ATOM 207 CG LEU A 14 -13.181 -1.310 -3.916 1.00 0.00 C ATOM 208 CD1 LEU A 14 -13.309 -2.785 -3.557 1.00 0.00 C ATOM 209 CD2 LEU A 14 -13.604 -0.456 -2.718 1.00 0.00 C ATOM 0 H LEU A 14 -12.345 -2.338 -6.557 1.00 0.00 H new ATOM 0 HA LEU A 14 -11.984 0.536 -5.748 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -11.120 -1.905 -4.158 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -11.324 -0.259 -3.592 1.00 0.00 H new ATOM 0 HG LEU A 14 -13.822 -1.080 -4.767 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -14.345 -3.009 -3.301 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -13.006 -3.394 -4.408 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -12.668 -3.009 -2.704 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -14.642 -0.673 -2.465 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -12.967 -0.686 -1.864 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -13.505 0.600 -2.971 1.00 0.00 H new ATOM 221 N VAL A 15 -9.713 0.480 -6.772 1.00 0.00 N ATOM 222 CA VAL A 15 -8.321 0.468 -7.301 1.00 0.00 C ATOM 223 C VAL A 15 -7.553 1.669 -6.746 1.00 0.00 C ATOM 224 O VAL A 15 -8.039 2.783 -6.752 1.00 0.00 O ATOM 225 CB VAL A 15 -8.362 0.557 -8.828 1.00 0.00 C ATOM 226 CG1 VAL A 15 -8.549 -0.841 -9.420 1.00 0.00 C ATOM 227 CG2 VAL A 15 -9.533 1.447 -9.251 1.00 0.00 C ATOM 0 H VAL A 15 -10.206 1.367 -6.874 1.00 0.00 H new ATOM 0 HA VAL A 15 -7.824 -0.453 -6.998 1.00 0.00 H new ATOM 0 HB VAL A 15 -7.426 0.982 -9.192 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -8.578 -0.775 -10.508 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -7.718 -1.478 -9.117 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -9.484 -1.267 -9.058 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -9.566 1.513 -10.339 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -10.466 1.019 -8.885 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -9.402 2.444 -8.831 1.00 0.00 H new ATOM 237 N PHE A 16 -6.356 1.459 -6.268 1.00 0.00 N ATOM 238 CA PHE A 16 -5.568 2.598 -5.721 1.00 0.00 C ATOM 239 C PHE A 16 -5.585 3.748 -6.729 1.00 0.00 C ATOM 240 O PHE A 16 -5.740 3.542 -7.916 1.00 0.00 O ATOM 241 CB PHE A 16 -4.124 2.155 -5.476 1.00 0.00 C ATOM 242 CG PHE A 16 -4.068 1.274 -4.250 1.00 0.00 C ATOM 243 CD1 PHE A 16 -4.293 -0.103 -4.366 1.00 0.00 C ATOM 244 CD2 PHE A 16 -3.790 1.836 -2.999 1.00 0.00 C ATOM 245 CE1 PHE A 16 -4.241 -0.918 -3.228 1.00 0.00 C ATOM 246 CE2 PHE A 16 -3.738 1.021 -1.862 1.00 0.00 C ATOM 247 CZ PHE A 16 -3.963 -0.356 -1.977 1.00 0.00 C ATOM 0 H PHE A 16 -5.892 0.551 -6.233 1.00 0.00 H new ATOM 0 HA PHE A 16 -6.007 2.927 -4.779 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -3.746 1.614 -6.343 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -3.483 3.026 -5.340 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -4.506 -0.536 -5.332 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -3.616 2.898 -2.911 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -4.415 -1.980 -3.316 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -3.524 1.454 -0.896 1.00 0.00 H new ATOM 0 HZ PHE A 16 -3.922 -0.985 -1.100 1.00 0.00 H new ATOM 257 N GLU A 17 -5.430 4.958 -6.269 1.00 0.00 N ATOM 258 CA GLU A 17 -5.441 6.114 -7.209 1.00 0.00 C ATOM 259 C GLU A 17 -4.420 7.160 -6.744 1.00 0.00 C ATOM 260 O GLU A 17 -4.627 7.813 -5.741 1.00 0.00 O ATOM 261 CB GLU A 17 -6.838 6.740 -7.223 1.00 0.00 C ATOM 262 CG GLU A 17 -7.724 5.989 -8.219 1.00 0.00 C ATOM 263 CD GLU A 17 -9.097 5.739 -7.594 1.00 0.00 C ATOM 264 OE1 GLU A 17 -9.540 6.580 -6.829 1.00 0.00 O ATOM 265 OE2 GLU A 17 -9.683 4.711 -7.891 1.00 0.00 O ATOM 0 H GLU A 17 -5.297 5.196 -5.286 1.00 0.00 H new ATOM 0 HA GLU A 17 -5.181 5.773 -8.211 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -7.277 6.698 -6.226 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -6.774 7.793 -7.499 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -7.830 6.569 -9.136 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -7.259 5.042 -8.493 1.00 0.00 H new ATOM 272 N PRO A 18 -3.342 7.287 -7.481 1.00 0.00 N ATOM 273 CA PRO A 18 -3.084 6.499 -8.701 1.00 0.00 C ATOM 274 C PRO A 18 -2.627 5.083 -8.338 1.00 0.00 C ATOM 275 O PRO A 18 -2.504 4.739 -7.179 1.00 0.00 O ATOM 276 CB PRO A 18 -1.959 7.273 -9.393 1.00 0.00 C ATOM 277 CG PRO A 18 -1.262 8.107 -8.298 1.00 0.00 C ATOM 278 CD PRO A 18 -2.267 8.241 -7.145 1.00 0.00 C ATOM 0 HA PRO A 18 -3.966 6.381 -9.330 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -1.254 6.591 -9.868 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -2.357 7.917 -10.177 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -0.348 7.618 -7.961 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -0.977 9.087 -8.680 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -1.807 7.999 -6.187 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -2.649 9.259 -7.067 1.00 0.00 H new ATOM 286 N ALA A 19 -2.368 4.261 -9.319 1.00 0.00 N ATOM 287 CA ALA A 19 -1.914 2.875 -9.025 1.00 0.00 C ATOM 288 C ALA A 19 -0.499 2.930 -8.446 1.00 0.00 C ATOM 289 O ALA A 19 -0.187 2.271 -7.475 1.00 0.00 O ATOM 290 CB ALA A 19 -1.911 2.052 -10.315 1.00 0.00 C ATOM 0 H ALA A 19 -2.452 4.491 -10.309 1.00 0.00 H new ATOM 0 HA ALA A 19 -2.588 2.409 -8.307 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -1.578 1.037 -10.098 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -2.918 2.023 -10.730 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -1.234 2.509 -11.037 1.00 0.00 H new ATOM 296 N LYS A 20 0.354 3.725 -9.031 1.00 0.00 N ATOM 297 CA LYS A 20 1.745 3.843 -8.513 1.00 0.00 C ATOM 298 C LYS A 20 1.891 5.190 -7.803 1.00 0.00 C ATOM 299 O LYS A 20 1.379 6.195 -8.253 1.00 0.00 O ATOM 300 CB LYS A 20 2.734 3.766 -9.679 1.00 0.00 C ATOM 301 CG LYS A 20 2.145 4.481 -10.895 1.00 0.00 C ATOM 302 CD LYS A 20 3.280 4.998 -11.782 1.00 0.00 C ATOM 303 CE LYS A 20 3.191 4.341 -13.160 1.00 0.00 C ATOM 304 NZ LYS A 20 4.477 3.656 -13.469 1.00 0.00 N ATOM 0 H LYS A 20 0.146 4.299 -9.848 1.00 0.00 H new ATOM 0 HA LYS A 20 1.953 3.032 -7.816 1.00 0.00 H new ATOM 0 HB2 LYS A 20 3.681 4.226 -9.397 1.00 0.00 H new ATOM 0 HB3 LYS A 20 2.945 2.725 -9.923 1.00 0.00 H new ATOM 0 HG2 LYS A 20 1.510 3.798 -11.460 1.00 0.00 H new ATOM 0 HG3 LYS A 20 1.514 5.310 -10.573 1.00 0.00 H new ATOM 0 HD2 LYS A 20 3.215 6.082 -11.879 1.00 0.00 H new ATOM 0 HD3 LYS A 20 4.244 4.777 -11.323 1.00 0.00 H new ATOM 0 HE2 LYS A 20 2.371 3.623 -13.180 1.00 0.00 H new ATOM 0 HE3 LYS A 20 2.976 5.093 -13.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 4.416 3.209 -14.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 5.250 4.352 -13.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 4.664 2.928 -12.750 1.00 0.00 H new ATOM 318 N LEU A 21 2.574 5.222 -6.693 1.00 0.00 N ATOM 319 CA LEU A 21 2.731 6.511 -5.961 1.00 0.00 C ATOM 320 C LEU A 21 4.211 6.788 -5.697 1.00 0.00 C ATOM 321 O LEU A 21 4.917 5.972 -5.138 1.00 0.00 O ATOM 322 CB LEU A 21 1.983 6.431 -4.628 1.00 0.00 C ATOM 323 CG LEU A 21 0.685 7.234 -4.723 1.00 0.00 C ATOM 324 CD1 LEU A 21 -0.278 6.782 -3.624 1.00 0.00 C ATOM 325 CD2 LEU A 21 0.996 8.721 -4.547 1.00 0.00 C ATOM 0 H LEU A 21 3.028 4.417 -6.262 1.00 0.00 H new ATOM 0 HA LEU A 21 2.320 7.318 -6.567 1.00 0.00 H new ATOM 0 HB2 LEU A 21 1.763 5.392 -4.384 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.607 6.822 -3.824 1.00 0.00 H new ATOM 0 HG LEU A 21 0.225 7.069 -5.697 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -1.203 7.355 -3.692 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -0.498 5.722 -3.747 1.00 0.00 H new ATOM 0 HD13 LEU A 21 0.180 6.947 -2.649 1.00 0.00 H new ATOM 0 HD21 LEU A 21 0.073 9.296 -4.614 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.455 8.884 -3.572 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.683 9.044 -5.329 1.00 0.00 H new ATOM 337 N THR A 22 4.682 7.941 -6.086 1.00 0.00 N ATOM 338 CA THR A 22 6.112 8.282 -5.847 1.00 0.00 C ATOM 339 C THR A 22 6.234 8.954 -4.478 1.00 0.00 C ATOM 340 O THR A 22 5.989 10.134 -4.332 1.00 0.00 O ATOM 341 CB THR A 22 6.596 9.243 -6.936 1.00 0.00 C ATOM 342 OG1 THR A 22 6.235 8.732 -8.212 1.00 0.00 O ATOM 343 CG2 THR A 22 8.116 9.388 -6.852 1.00 0.00 C ATOM 0 H THR A 22 4.137 8.662 -6.559 1.00 0.00 H new ATOM 0 HA THR A 22 6.721 7.378 -5.872 1.00 0.00 H new ATOM 0 HB THR A 22 6.133 10.219 -6.792 1.00 0.00 H new ATOM 0 HG1 THR A 22 6.543 9.347 -8.910 1.00 0.00 H new ATOM 0 HG21 THR A 22 8.460 10.072 -7.628 1.00 0.00 H new ATOM 0 HG22 THR A 22 8.390 9.782 -5.873 1.00 0.00 H new ATOM 0 HG23 THR A 22 8.583 8.414 -6.995 1.00 0.00 H new ATOM 351 N ILE A 23 6.600 8.211 -3.470 1.00 0.00 N ATOM 352 CA ILE A 23 6.722 8.807 -2.114 1.00 0.00 C ATOM 353 C ILE A 23 8.182 9.123 -1.817 1.00 0.00 C ATOM 354 O ILE A 23 9.072 8.762 -2.561 1.00 0.00 O ATOM 355 CB ILE A 23 6.209 7.818 -1.069 1.00 0.00 C ATOM 356 CG1 ILE A 23 6.827 6.439 -1.328 1.00 0.00 C ATOM 357 CG2 ILE A 23 4.689 7.727 -1.166 1.00 0.00 C ATOM 358 CD1 ILE A 23 7.418 5.884 -0.027 1.00 0.00 C ATOM 0 H ILE A 23 6.820 7.217 -3.529 1.00 0.00 H new ATOM 0 HA ILE A 23 6.133 9.723 -2.078 1.00 0.00 H new ATOM 0 HB ILE A 23 6.489 8.157 -0.072 1.00 0.00 H new ATOM 0 HG12 ILE A 23 6.069 5.757 -1.714 1.00 0.00 H new ATOM 0 HG13 ILE A 23 7.604 6.515 -2.088 1.00 0.00 H new ATOM 0 HG21 ILE A 23 4.318 7.022 -0.422 1.00 0.00 H new ATOM 0 HG22 ILE A 23 4.253 8.709 -0.984 1.00 0.00 H new ATOM 0 HG23 ILE A 23 4.408 7.384 -2.162 1.00 0.00 H new ATOM 0 HD11 ILE A 23 7.856 4.904 -0.215 1.00 0.00 H new ATOM 0 HD12 ILE A 23 8.189 6.561 0.341 1.00 0.00 H new ATOM 0 HD13 ILE A 23 6.630 5.791 0.720 1.00 0.00 H new ATOM 370 N LYS A 24 8.436 9.788 -0.727 1.00 0.00 N ATOM 371 CA LYS A 24 9.839 10.115 -0.376 1.00 0.00 C ATOM 372 C LYS A 24 10.440 8.939 0.396 1.00 0.00 C ATOM 373 O LYS A 24 9.755 7.978 0.687 1.00 0.00 O ATOM 374 CB LYS A 24 9.873 11.380 0.486 1.00 0.00 C ATOM 375 CG LYS A 24 10.568 12.506 -0.284 1.00 0.00 C ATOM 376 CD LYS A 24 9.556 13.610 -0.598 1.00 0.00 C ATOM 377 CE LYS A 24 10.250 14.738 -1.365 1.00 0.00 C ATOM 378 NZ LYS A 24 10.488 14.310 -2.773 1.00 0.00 N ATOM 0 H LYS A 24 7.732 10.118 -0.066 1.00 0.00 H new ATOM 0 HA LYS A 24 10.418 10.293 -1.282 1.00 0.00 H new ATOM 0 HB2 LYS A 24 8.859 11.679 0.751 1.00 0.00 H new ATOM 0 HB3 LYS A 24 10.402 11.183 1.419 1.00 0.00 H new ATOM 0 HG2 LYS A 24 11.391 12.910 0.305 1.00 0.00 H new ATOM 0 HG3 LYS A 24 10.997 12.118 -1.208 1.00 0.00 H new ATOM 0 HD2 LYS A 24 8.734 13.207 -1.189 1.00 0.00 H new ATOM 0 HD3 LYS A 24 9.125 13.996 0.326 1.00 0.00 H new ATOM 0 HE2 LYS A 24 9.634 15.637 -1.346 1.00 0.00 H new ATOM 0 HE3 LYS A 24 11.196 14.990 -0.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 10.802 15.126 -3.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 11.222 13.574 -2.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 9.607 13.931 -3.174 1.00 0.00 H new ATOM 392 N PRO A 25 11.706 9.043 0.697 1.00 0.00 N ATOM 393 CA PRO A 25 12.431 7.992 1.430 1.00 0.00 C ATOM 394 C PRO A 25 12.114 8.050 2.927 1.00 0.00 C ATOM 395 O PRO A 25 12.939 8.445 3.726 1.00 0.00 O ATOM 396 CB PRO A 25 13.903 8.329 1.171 1.00 0.00 C ATOM 397 CG PRO A 25 13.949 9.831 0.802 1.00 0.00 C ATOM 398 CD PRO A 25 12.532 10.214 0.338 1.00 0.00 C ATOM 0 HA PRO A 25 12.161 6.986 1.108 1.00 0.00 H new ATOM 0 HB2 PRO A 25 14.509 8.127 2.054 1.00 0.00 H new ATOM 0 HB3 PRO A 25 14.305 7.718 0.363 1.00 0.00 H new ATOM 0 HG2 PRO A 25 14.251 10.432 1.660 1.00 0.00 H new ATOM 0 HG3 PRO A 25 14.678 10.014 0.012 1.00 0.00 H new ATOM 0 HD2 PRO A 25 12.180 11.118 0.836 1.00 0.00 H new ATOM 0 HD3 PRO A 25 12.503 10.409 -0.734 1.00 0.00 H new ATOM 406 N GLY A 26 10.933 7.648 3.322 1.00 0.00 N ATOM 407 CA GLY A 26 10.602 7.679 4.776 1.00 0.00 C ATOM 408 C GLY A 26 9.272 8.397 5.010 1.00 0.00 C ATOM 409 O GLY A 26 8.738 8.377 6.101 1.00 0.00 O ATOM 0 H GLY A 26 10.193 7.304 2.709 1.00 0.00 H new ATOM 0 HA2 GLY A 26 10.545 6.662 5.163 1.00 0.00 H new ATOM 0 HA3 GLY A 26 11.396 8.185 5.325 1.00 0.00 H new ATOM 413 N ASP A 27 8.730 9.030 4.006 1.00 0.00 N ATOM 414 CA ASP A 27 7.431 9.737 4.197 1.00 0.00 C ATOM 415 C ASP A 27 6.434 8.782 4.850 1.00 0.00 C ATOM 416 O ASP A 27 6.754 7.651 5.160 1.00 0.00 O ATOM 417 CB ASP A 27 6.883 10.193 2.844 1.00 0.00 C ATOM 418 CG ASP A 27 7.391 11.602 2.533 1.00 0.00 C ATOM 419 OD1 ASP A 27 8.553 11.863 2.796 1.00 0.00 O ATOM 420 OD2 ASP A 27 6.608 12.396 2.036 1.00 0.00 O ATOM 0 H ASP A 27 9.126 9.089 3.068 1.00 0.00 H new ATOM 0 HA ASP A 27 7.583 10.609 4.834 1.00 0.00 H new ATOM 0 HB2 ASP A 27 7.196 9.502 2.062 1.00 0.00 H new ATOM 0 HB3 ASP A 27 5.793 10.184 2.860 1.00 0.00 H new ATOM 425 N THR A 28 5.226 9.220 5.062 1.00 0.00 N ATOM 426 CA THR A 28 4.222 8.330 5.694 1.00 0.00 C ATOM 427 C THR A 28 3.068 8.085 4.723 1.00 0.00 C ATOM 428 O THR A 28 2.377 9.000 4.319 1.00 0.00 O ATOM 429 CB THR A 28 3.691 8.982 6.972 1.00 0.00 C ATOM 430 OG1 THR A 28 4.784 9.393 7.781 1.00 0.00 O ATOM 431 CG2 THR A 28 2.833 7.977 7.740 1.00 0.00 C ATOM 0 H THR A 28 4.893 10.154 4.825 1.00 0.00 H new ATOM 0 HA THR A 28 4.690 7.378 5.943 1.00 0.00 H new ATOM 0 HB THR A 28 3.084 9.850 6.714 1.00 0.00 H new ATOM 0 HG1 THR A 28 4.446 9.813 8.599 1.00 0.00 H new ATOM 0 HG21 THR A 28 2.455 8.442 8.650 1.00 0.00 H new ATOM 0 HG22 THR A 28 1.995 7.664 7.118 1.00 0.00 H new ATOM 0 HG23 THR A 28 3.436 7.107 8.000 1.00 0.00 H new ATOM 439 N VAL A 29 2.856 6.856 4.344 1.00 0.00 N ATOM 440 CA VAL A 29 1.753 6.548 3.400 1.00 0.00 C ATOM 441 C VAL A 29 0.548 6.019 4.179 1.00 0.00 C ATOM 442 O VAL A 29 0.578 4.936 4.729 1.00 0.00 O ATOM 443 CB VAL A 29 2.220 5.489 2.400 1.00 0.00 C ATOM 444 CG1 VAL A 29 1.425 5.626 1.101 1.00 0.00 C ATOM 445 CG2 VAL A 29 3.709 5.689 2.111 1.00 0.00 C ATOM 0 H VAL A 29 3.402 6.051 4.650 1.00 0.00 H new ATOM 0 HA VAL A 29 1.469 7.454 2.864 1.00 0.00 H new ATOM 0 HB VAL A 29 2.059 4.496 2.819 1.00 0.00 H new ATOM 0 HG11 VAL A 29 1.758 4.871 0.389 1.00 0.00 H new ATOM 0 HG12 VAL A 29 0.364 5.487 1.307 1.00 0.00 H new ATOM 0 HG13 VAL A 29 1.585 6.618 0.679 1.00 0.00 H new ATOM 0 HG21 VAL A 29 4.046 4.936 1.399 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.868 6.682 1.691 1.00 0.00 H new ATOM 0 HG23 VAL A 29 4.276 5.591 3.037 1.00 0.00 H new ATOM 455 N GLU A 30 -0.514 6.774 4.229 1.00 0.00 N ATOM 456 CA GLU A 30 -1.716 6.315 4.969 1.00 0.00 C ATOM 457 C GLU A 30 -2.727 5.744 3.976 1.00 0.00 C ATOM 458 O GLU A 30 -3.140 6.405 3.044 1.00 0.00 O ATOM 459 CB GLU A 30 -2.340 7.494 5.718 1.00 0.00 C ATOM 460 CG GLU A 30 -1.235 8.341 6.349 1.00 0.00 C ATOM 461 CD GLU A 30 -1.732 8.925 7.672 1.00 0.00 C ATOM 462 OE1 GLU A 30 -2.832 9.452 7.688 1.00 0.00 O ATOM 463 OE2 GLU A 30 -1.005 8.836 8.648 1.00 0.00 O ATOM 0 H GLU A 30 -0.599 7.690 3.788 1.00 0.00 H new ATOM 0 HA GLU A 30 -1.433 5.545 5.687 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -2.932 8.101 5.033 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -3.019 7.130 6.489 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -0.347 7.732 6.519 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -0.945 9.144 5.671 1.00 0.00 H new ATOM 470 N PHE A 31 -3.123 4.517 4.165 1.00 0.00 N ATOM 471 CA PHE A 31 -4.101 3.898 3.229 1.00 0.00 C ATOM 472 C PHE A 31 -5.466 3.805 3.919 1.00 0.00 C ATOM 473 O PHE A 31 -5.555 3.743 5.129 1.00 0.00 O ATOM 474 CB PHE A 31 -3.612 2.498 2.840 1.00 0.00 C ATOM 475 CG PHE A 31 -2.097 2.471 2.837 1.00 0.00 C ATOM 476 CD1 PHE A 31 -1.397 2.323 4.041 1.00 0.00 C ATOM 477 CD2 PHE A 31 -1.392 2.596 1.631 1.00 0.00 C ATOM 478 CE1 PHE A 31 0.002 2.300 4.041 1.00 0.00 C ATOM 479 CE2 PHE A 31 0.008 2.572 1.633 1.00 0.00 C ATOM 480 CZ PHE A 31 0.705 2.424 2.837 1.00 0.00 C ATOM 0 H PHE A 31 -2.811 3.916 4.928 1.00 0.00 H new ATOM 0 HA PHE A 31 -4.194 4.506 2.329 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -3.997 1.759 3.542 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -3.992 2.230 1.854 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -1.938 2.226 4.971 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -1.929 2.711 0.701 1.00 0.00 H new ATOM 0 HE1 PHE A 31 0.540 2.186 4.971 1.00 0.00 H new ATOM 0 HE2 PHE A 31 0.550 2.668 0.704 1.00 0.00 H new ATOM 0 HZ PHE A 31 1.785 2.405 2.837 1.00 0.00 H new ATOM 490 N LEU A 32 -6.531 3.808 3.164 1.00 0.00 N ATOM 491 CA LEU A 32 -7.882 3.731 3.785 1.00 0.00 C ATOM 492 C LEU A 32 -8.793 2.827 2.949 1.00 0.00 C ATOM 493 O LEU A 32 -8.402 2.318 1.918 1.00 0.00 O ATOM 494 CB LEU A 32 -8.490 5.136 3.870 1.00 0.00 C ATOM 495 CG LEU A 32 -7.948 6.006 2.732 1.00 0.00 C ATOM 496 CD1 LEU A 32 -9.078 6.866 2.163 1.00 0.00 C ATOM 497 CD2 LEU A 32 -6.840 6.915 3.270 1.00 0.00 C ATOM 0 H LEU A 32 -6.523 3.860 2.145 1.00 0.00 H new ATOM 0 HA LEU A 32 -7.789 3.314 4.788 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -9.577 5.076 3.808 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -8.250 5.589 4.832 1.00 0.00 H new ATOM 0 HG LEU A 32 -7.547 5.366 1.946 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -8.692 7.485 1.353 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -9.869 6.221 1.781 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -9.479 7.506 2.949 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -6.453 7.535 2.461 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -7.243 7.554 4.056 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -6.034 6.304 3.677 1.00 0.00 H new ATOM 509 N ASN A 33 -10.007 2.623 3.391 1.00 0.00 N ATOM 510 CA ASN A 33 -10.951 1.751 2.634 1.00 0.00 C ATOM 511 C ASN A 33 -12.051 2.620 2.006 1.00 0.00 C ATOM 512 O ASN A 33 -12.179 3.788 2.316 1.00 0.00 O ATOM 513 CB ASN A 33 -11.552 0.710 3.599 1.00 0.00 C ATOM 514 CG ASN A 33 -12.843 1.212 4.243 1.00 0.00 C ATOM 515 OD1 ASN A 33 -13.125 2.391 4.252 1.00 0.00 O ATOM 516 ND2 ASN A 33 -13.637 0.346 4.802 1.00 0.00 N ATOM 0 H ASN A 33 -10.386 3.026 4.248 1.00 0.00 H new ATOM 0 HA ASN A 33 -10.429 1.227 1.834 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -11.752 -0.215 3.058 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -10.826 0.474 4.377 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -14.499 0.659 5.249 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -13.398 -0.645 4.793 1.00 0.00 H new ATOM 523 N ASN A 34 -12.851 2.063 1.137 1.00 0.00 N ATOM 524 CA ASN A 34 -13.940 2.869 0.511 1.00 0.00 C ATOM 525 C ASN A 34 -15.298 2.344 0.986 1.00 0.00 C ATOM 526 O ASN A 34 -15.961 2.958 1.798 1.00 0.00 O ATOM 527 CB ASN A 34 -13.851 2.761 -1.013 1.00 0.00 C ATOM 528 CG ASN A 34 -14.509 3.985 -1.654 1.00 0.00 C ATOM 529 OD1 ASN A 34 -14.196 5.108 -1.311 1.00 0.00 O ATOM 530 ND2 ASN A 34 -15.415 3.815 -2.578 1.00 0.00 N ATOM 0 H ASN A 34 -12.799 1.090 0.834 1.00 0.00 H new ATOM 0 HA ASN A 34 -13.832 3.914 0.803 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -12.808 2.692 -1.322 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -14.345 1.851 -1.353 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -15.860 4.624 -3.011 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -15.678 2.873 -2.867 1.00 0.00 H new ATOM 537 N LYS A 35 -15.715 1.207 0.497 1.00 0.00 N ATOM 538 CA LYS A 35 -17.024 0.642 0.931 1.00 0.00 C ATOM 539 C LYS A 35 -17.080 -0.839 0.564 1.00 0.00 C ATOM 540 O LYS A 35 -18.134 -1.401 0.343 1.00 0.00 O ATOM 541 CB LYS A 35 -18.170 1.388 0.246 1.00 0.00 C ATOM 542 CG LYS A 35 -19.491 1.030 0.931 1.00 0.00 C ATOM 543 CD LYS A 35 -20.535 2.106 0.630 1.00 0.00 C ATOM 544 CE LYS A 35 -21.106 1.890 -0.773 1.00 0.00 C ATOM 545 NZ LYS A 35 -22.582 1.699 -0.682 1.00 0.00 N ATOM 0 H LYS A 35 -15.205 0.645 -0.185 1.00 0.00 H new ATOM 0 HA LYS A 35 -17.126 0.756 2.010 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -18.001 2.464 0.298 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -18.212 1.122 -0.810 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -19.843 0.060 0.580 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -19.342 0.945 2.007 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -21.335 2.067 1.369 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -20.083 3.095 0.701 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -20.877 2.747 -1.407 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -20.643 1.019 -1.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -22.972 1.552 -1.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -22.789 0.869 -0.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -23.016 2.543 -0.257 1.00 0.00 H new ATOM 559 N VAL A 36 -15.945 -1.471 0.513 1.00 0.00 N ATOM 560 CA VAL A 36 -15.901 -2.920 0.178 1.00 0.00 C ATOM 561 C VAL A 36 -14.724 -3.562 0.919 1.00 0.00 C ATOM 562 O VAL A 36 -13.835 -4.120 0.306 1.00 0.00 O ATOM 563 CB VAL A 36 -15.715 -3.093 -1.330 1.00 0.00 C ATOM 564 CG1 VAL A 36 -15.970 -4.552 -1.714 1.00 0.00 C ATOM 565 CG2 VAL A 36 -16.708 -2.193 -2.071 1.00 0.00 C ATOM 0 H VAL A 36 -15.036 -1.043 0.691 1.00 0.00 H new ATOM 0 HA VAL A 36 -16.833 -3.398 0.478 1.00 0.00 H new ATOM 0 HB VAL A 36 -14.696 -2.818 -1.603 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -15.837 -4.674 -2.789 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -15.266 -5.196 -1.186 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -16.989 -4.827 -1.441 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -16.577 -2.315 -3.146 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -17.726 -2.470 -1.796 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -16.529 -1.153 -1.799 1.00 0.00 H new ATOM 575 N PRO A 37 -14.754 -3.451 2.224 1.00 0.00 N ATOM 576 CA PRO A 37 -13.698 -3.999 3.094 1.00 0.00 C ATOM 577 C PRO A 37 -13.865 -5.513 3.259 1.00 0.00 C ATOM 578 O PRO A 37 -14.844 -6.080 2.815 1.00 0.00 O ATOM 579 CB PRO A 37 -13.935 -3.288 4.431 1.00 0.00 C ATOM 580 CG PRO A 37 -15.411 -2.829 4.427 1.00 0.00 C ATOM 581 CD PRO A 37 -15.846 -2.770 2.954 1.00 0.00 C ATOM 0 HA PRO A 37 -12.696 -3.843 2.695 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -13.739 -3.959 5.267 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -13.264 -2.436 4.542 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -16.035 -3.525 4.988 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -15.515 -1.853 4.902 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -16.801 -3.272 2.801 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -15.969 -1.741 2.616 1.00 0.00 H new ATOM 589 N PRO A 38 -12.915 -6.115 3.928 1.00 0.00 N ATOM 590 CA PRO A 38 -11.731 -5.417 4.463 1.00 0.00 C ATOM 591 C PRO A 38 -10.622 -5.347 3.410 1.00 0.00 C ATOM 592 O PRO A 38 -10.576 -6.138 2.489 1.00 0.00 O ATOM 593 CB PRO A 38 -11.289 -6.314 5.616 1.00 0.00 C ATOM 594 CG PRO A 38 -11.847 -7.728 5.307 1.00 0.00 C ATOM 595 CD PRO A 38 -12.958 -7.550 4.255 1.00 0.00 C ATOM 0 HA PRO A 38 -11.945 -4.391 4.761 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -10.202 -6.334 5.698 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -11.674 -5.943 6.566 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -11.059 -8.380 4.930 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -12.241 -8.194 6.210 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -12.775 -8.165 3.374 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -13.932 -7.840 4.650 1.00 0.00 H new ATOM 603 N HIS A 39 -9.714 -4.420 3.559 1.00 0.00 N ATOM 604 CA HIS A 39 -8.591 -4.301 2.586 1.00 0.00 C ATOM 605 C HIS A 39 -7.280 -4.637 3.297 1.00 0.00 C ATOM 606 O HIS A 39 -6.948 -4.061 4.314 1.00 0.00 O ATOM 607 CB HIS A 39 -8.528 -2.872 2.033 1.00 0.00 C ATOM 608 CG HIS A 39 -9.739 -2.623 1.178 1.00 0.00 C ATOM 609 ND1 HIS A 39 -9.695 -2.680 -0.216 1.00 0.00 N ATOM 610 CD2 HIS A 39 -11.045 -2.367 1.508 1.00 0.00 C ATOM 611 CE1 HIS A 39 -10.953 -2.468 -0.656 1.00 0.00 C ATOM 612 NE2 HIS A 39 -11.802 -2.284 0.353 1.00 0.00 N ATOM 0 H HIS A 39 -9.702 -3.737 4.317 1.00 0.00 H new ATOM 0 HA HIS A 39 -8.750 -4.992 1.758 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -8.491 -2.153 2.851 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -7.619 -2.735 1.447 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -11.424 -2.249 2.513 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -11.236 -2.450 -1.698 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -12.806 -2.116 0.288 1.00 0.00 H new ATOM 620 N ASN A 40 -6.535 -5.569 2.773 1.00 0.00 N ATOM 621 CA ASN A 40 -5.249 -5.947 3.421 1.00 0.00 C ATOM 622 C ASN A 40 -4.094 -5.264 2.688 1.00 0.00 C ATOM 623 O ASN A 40 -3.932 -5.409 1.493 1.00 0.00 O ATOM 624 CB ASN A 40 -5.074 -7.465 3.351 1.00 0.00 C ATOM 625 CG ASN A 40 -5.510 -8.096 4.674 1.00 0.00 C ATOM 626 OD1 ASN A 40 -6.668 -8.417 4.854 1.00 0.00 O ATOM 627 ND2 ASN A 40 -4.626 -8.291 5.613 1.00 0.00 N ATOM 0 H ASN A 40 -6.761 -6.086 1.923 1.00 0.00 H new ATOM 0 HA ASN A 40 -5.256 -5.630 4.464 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -5.666 -7.871 2.531 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -4.032 -7.712 3.145 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -4.907 -8.713 6.498 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -3.654 -8.022 5.462 1.00 0.00 H new ATOM 634 N VAL A 41 -3.293 -4.515 3.393 1.00 0.00 N ATOM 635 CA VAL A 41 -2.155 -3.819 2.732 1.00 0.00 C ATOM 636 C VAL A 41 -0.836 -4.486 3.127 1.00 0.00 C ATOM 637 O VAL A 41 -0.385 -4.381 4.250 1.00 0.00 O ATOM 638 CB VAL A 41 -2.135 -2.353 3.167 1.00 0.00 C ATOM 639 CG1 VAL A 41 -1.034 -1.610 2.410 1.00 0.00 C ATOM 640 CG2 VAL A 41 -3.488 -1.713 2.852 1.00 0.00 C ATOM 0 H VAL A 41 -3.377 -4.355 4.397 1.00 0.00 H new ATOM 0 HA VAL A 41 -2.276 -3.879 1.650 1.00 0.00 H new ATOM 0 HB VAL A 41 -1.942 -2.294 4.238 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.020 -0.565 2.720 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.069 -2.067 2.630 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -1.226 -1.668 1.339 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -3.477 -0.668 3.161 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -3.678 -1.773 1.780 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -4.275 -2.242 3.390 1.00 0.00 H new ATOM 650 N VAL A 42 -0.213 -5.167 2.206 1.00 0.00 N ATOM 651 CA VAL A 42 1.080 -5.836 2.517 1.00 0.00 C ATOM 652 C VAL A 42 2.064 -5.560 1.382 1.00 0.00 C ATOM 653 O VAL A 42 1.689 -5.081 0.332 1.00 0.00 O ATOM 654 CB VAL A 42 0.859 -7.346 2.660 1.00 0.00 C ATOM 655 CG1 VAL A 42 1.894 -7.929 3.625 1.00 0.00 C ATOM 656 CG2 VAL A 42 -0.545 -7.608 3.210 1.00 0.00 C ATOM 0 H VAL A 42 -0.545 -5.289 1.249 1.00 0.00 H new ATOM 0 HA VAL A 42 1.482 -5.449 3.453 1.00 0.00 H new ATOM 0 HB VAL A 42 0.965 -7.818 1.683 1.00 0.00 H new ATOM 0 HG11 VAL A 42 1.734 -9.003 3.725 1.00 0.00 H new ATOM 0 HG12 VAL A 42 2.896 -7.746 3.238 1.00 0.00 H new ATOM 0 HG13 VAL A 42 1.790 -7.455 4.601 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.701 -8.682 3.311 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -0.648 -7.133 4.185 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -1.287 -7.196 2.525 1.00 0.00 H new ATOM 666 N PHE A 43 3.321 -5.841 1.584 1.00 0.00 N ATOM 667 CA PHE A 43 4.320 -5.572 0.514 1.00 0.00 C ATOM 668 C PHE A 43 4.990 -6.881 0.088 1.00 0.00 C ATOM 669 O PHE A 43 5.802 -7.439 0.798 1.00 0.00 O ATOM 670 CB PHE A 43 5.360 -4.589 1.051 1.00 0.00 C ATOM 671 CG PHE A 43 4.641 -3.454 1.730 1.00 0.00 C ATOM 672 CD1 PHE A 43 4.067 -3.654 2.989 1.00 0.00 C ATOM 673 CD2 PHE A 43 4.540 -2.209 1.104 1.00 0.00 C ATOM 674 CE1 PHE A 43 3.394 -2.608 3.622 1.00 0.00 C ATOM 675 CE2 PHE A 43 3.866 -1.161 1.739 1.00 0.00 C ATOM 676 CZ PHE A 43 3.293 -1.362 3.000 1.00 0.00 C ATOM 0 H PHE A 43 3.699 -6.244 2.441 1.00 0.00 H new ATOM 0 HA PHE A 43 3.828 -5.140 -0.358 1.00 0.00 H new ATOM 0 HB2 PHE A 43 6.026 -5.089 1.754 1.00 0.00 H new ATOM 0 HB3 PHE A 43 5.980 -4.212 0.238 1.00 0.00 H new ATOM 0 HD1 PHE A 43 4.144 -4.617 3.471 1.00 0.00 H new ATOM 0 HD2 PHE A 43 4.982 -2.056 0.131 1.00 0.00 H new ATOM 0 HE1 PHE A 43 2.951 -2.763 4.595 1.00 0.00 H new ATOM 0 HE2 PHE A 43 3.788 -0.198 1.257 1.00 0.00 H new ATOM 0 HZ PHE A 43 2.773 -0.553 3.492 1.00 0.00 H new ATOM 686 N ASP A 44 4.645 -7.375 -1.072 1.00 0.00 N ATOM 687 CA ASP A 44 5.246 -8.650 -1.557 1.00 0.00 C ATOM 688 C ASP A 44 6.771 -8.587 -1.432 1.00 0.00 C ATOM 689 O ASP A 44 7.419 -7.757 -2.037 1.00 0.00 O ATOM 690 CB ASP A 44 4.862 -8.865 -3.023 1.00 0.00 C ATOM 691 CG ASP A 44 4.846 -10.363 -3.332 1.00 0.00 C ATOM 692 OD1 ASP A 44 5.875 -10.995 -3.159 1.00 0.00 O ATOM 693 OD2 ASP A 44 3.804 -10.853 -3.737 1.00 0.00 O ATOM 0 H ASP A 44 3.970 -6.948 -1.706 1.00 0.00 H new ATOM 0 HA ASP A 44 4.872 -9.477 -0.954 1.00 0.00 H new ATOM 0 HB2 ASP A 44 3.882 -8.432 -3.220 1.00 0.00 H new ATOM 0 HB3 ASP A 44 5.572 -8.356 -3.674 1.00 0.00 H new ATOM 698 N ALA A 45 7.345 -9.463 -0.652 1.00 0.00 N ATOM 699 CA ALA A 45 8.824 -9.461 -0.485 1.00 0.00 C ATOM 700 C ALA A 45 9.476 -10.191 -1.663 1.00 0.00 C ATOM 701 O ALA A 45 10.680 -10.349 -1.717 1.00 0.00 O ATOM 702 CB ALA A 45 9.191 -10.175 0.818 1.00 0.00 C ATOM 0 H ALA A 45 6.851 -10.181 -0.123 1.00 0.00 H new ATOM 0 HA ALA A 45 9.182 -8.432 -0.452 1.00 0.00 H new ATOM 0 HB1 ALA A 45 10.274 -10.174 0.941 1.00 0.00 H new ATOM 0 HB2 ALA A 45 8.730 -9.657 1.659 1.00 0.00 H new ATOM 0 HB3 ALA A 45 8.831 -11.203 0.783 1.00 0.00 H new ATOM 708 N ALA A 46 8.693 -10.641 -2.606 1.00 0.00 N ATOM 709 CA ALA A 46 9.274 -11.364 -3.773 1.00 0.00 C ATOM 710 C ALA A 46 9.330 -10.429 -4.986 1.00 0.00 C ATOM 711 O ALA A 46 10.003 -10.702 -5.960 1.00 0.00 O ATOM 712 CB ALA A 46 8.404 -12.579 -4.102 1.00 0.00 C ATOM 0 H ALA A 46 7.678 -10.539 -2.619 1.00 0.00 H new ATOM 0 HA ALA A 46 10.284 -11.694 -3.528 1.00 0.00 H new ATOM 0 HB1 ALA A 46 8.827 -13.109 -4.955 1.00 0.00 H new ATOM 0 HB2 ALA A 46 8.370 -13.246 -3.241 1.00 0.00 H new ATOM 0 HB3 ALA A 46 7.394 -12.248 -4.345 1.00 0.00 H new ATOM 718 N LEU A 47 8.630 -9.328 -4.936 1.00 0.00 N ATOM 719 CA LEU A 47 8.649 -8.381 -6.089 1.00 0.00 C ATOM 720 C LEU A 47 9.318 -7.073 -5.665 1.00 0.00 C ATOM 721 O LEU A 47 8.716 -6.018 -5.691 1.00 0.00 O ATOM 722 CB LEU A 47 7.215 -8.097 -6.541 1.00 0.00 C ATOM 723 CG LEU A 47 6.399 -9.389 -6.478 1.00 0.00 C ATOM 724 CD1 LEU A 47 4.909 -9.057 -6.575 1.00 0.00 C ATOM 725 CD2 LEU A 47 6.796 -10.300 -7.642 1.00 0.00 C ATOM 0 H LEU A 47 8.047 -9.043 -4.149 1.00 0.00 H new ATOM 0 HA LEU A 47 9.208 -8.825 -6.913 1.00 0.00 H new ATOM 0 HB2 LEU A 47 6.764 -7.337 -5.903 1.00 0.00 H new ATOM 0 HB3 LEU A 47 7.213 -7.702 -7.557 1.00 0.00 H new ATOM 0 HG LEU A 47 6.597 -9.898 -5.535 1.00 0.00 H new ATOM 0 HD11 LEU A 47 4.327 -9.978 -6.530 1.00 0.00 H new ATOM 0 HD12 LEU A 47 4.626 -8.408 -5.746 1.00 0.00 H new ATOM 0 HD13 LEU A 47 4.710 -8.548 -7.518 1.00 0.00 H new ATOM 0 HD21 LEU A 47 6.215 -11.221 -7.598 1.00 0.00 H new ATOM 0 HD22 LEU A 47 6.599 -9.791 -8.586 1.00 0.00 H new ATOM 0 HD23 LEU A 47 7.858 -10.537 -7.573 1.00 0.00 H new ATOM 737 N ASN A 48 10.561 -7.134 -5.271 1.00 0.00 N ATOM 738 CA ASN A 48 11.268 -5.897 -4.843 1.00 0.00 C ATOM 739 C ASN A 48 12.656 -5.854 -5.488 1.00 0.00 C ATOM 740 O ASN A 48 13.150 -6.860 -5.957 1.00 0.00 O ATOM 741 CB ASN A 48 11.413 -5.904 -3.319 1.00 0.00 C ATOM 742 CG ASN A 48 11.780 -7.312 -2.850 1.00 0.00 C ATOM 743 OD1 ASN A 48 12.472 -8.034 -3.540 1.00 0.00 O ATOM 744 ND2 ASN A 48 11.344 -7.736 -1.695 1.00 0.00 N ATOM 0 H ASN A 48 11.116 -7.988 -5.228 1.00 0.00 H new ATOM 0 HA ASN A 48 10.698 -5.021 -5.154 1.00 0.00 H new ATOM 0 HB2 ASN A 48 12.182 -5.195 -3.013 1.00 0.00 H new ATOM 0 HB3 ASN A 48 10.481 -5.585 -2.853 1.00 0.00 H new ATOM 0 HD21 ASN A 48 11.584 -8.673 -1.372 1.00 0.00 H new ATOM 0 HD22 ASN A 48 10.763 -7.130 -1.116 1.00 0.00 H new ATOM 751 N PRO A 49 13.247 -4.687 -5.483 1.00 0.00 N ATOM 752 CA PRO A 49 14.588 -4.475 -6.051 1.00 0.00 C ATOM 753 C PRO A 49 15.642 -5.005 -5.078 1.00 0.00 C ATOM 754 O PRO A 49 16.781 -5.233 -5.435 1.00 0.00 O ATOM 755 CB PRO A 49 14.680 -2.953 -6.200 1.00 0.00 C ATOM 756 CG PRO A 49 13.648 -2.357 -5.215 1.00 0.00 C ATOM 757 CD PRO A 49 12.635 -3.474 -4.906 1.00 0.00 C ATOM 0 HA PRO A 49 14.754 -4.990 -6.998 1.00 0.00 H new ATOM 0 HB2 PRO A 49 15.685 -2.600 -5.970 1.00 0.00 H new ATOM 0 HB3 PRO A 49 14.461 -2.649 -7.224 1.00 0.00 H new ATOM 0 HG2 PRO A 49 14.137 -2.015 -4.303 1.00 0.00 H new ATOM 0 HG3 PRO A 49 13.149 -1.493 -5.653 1.00 0.00 H new ATOM 0 HD2 PRO A 49 12.475 -3.581 -3.833 1.00 0.00 H new ATOM 0 HD3 PRO A 49 11.664 -3.266 -5.355 1.00 0.00 H new ATOM 765 N ALA A 50 15.255 -5.213 -3.849 1.00 0.00 N ATOM 766 CA ALA A 50 16.208 -5.742 -2.836 1.00 0.00 C ATOM 767 C ALA A 50 15.515 -6.849 -2.039 1.00 0.00 C ATOM 768 O ALA A 50 15.083 -6.641 -0.923 1.00 0.00 O ATOM 769 CB ALA A 50 16.627 -4.616 -1.888 1.00 0.00 C ATOM 0 H ALA A 50 14.312 -5.037 -3.502 1.00 0.00 H new ATOM 0 HA ALA A 50 17.093 -6.139 -3.332 1.00 0.00 H new ATOM 0 HB1 ALA A 50 17.325 -5.005 -1.147 1.00 0.00 H new ATOM 0 HB2 ALA A 50 17.109 -3.821 -2.458 1.00 0.00 H new ATOM 0 HB3 ALA A 50 15.746 -4.219 -1.384 1.00 0.00 H new ATOM 775 N LYS A 51 15.397 -8.017 -2.618 1.00 0.00 N ATOM 776 CA LYS A 51 14.723 -9.153 -1.918 1.00 0.00 C ATOM 777 C LYS A 51 15.030 -9.114 -0.419 1.00 0.00 C ATOM 778 O LYS A 51 16.044 -9.610 0.032 1.00 0.00 O ATOM 779 CB LYS A 51 15.222 -10.475 -2.502 1.00 0.00 C ATOM 780 CG LYS A 51 16.749 -10.529 -2.412 1.00 0.00 C ATOM 781 CD LYS A 51 17.348 -10.405 -3.814 1.00 0.00 C ATOM 782 CE LYS A 51 17.328 -11.772 -4.501 1.00 0.00 C ATOM 783 NZ LYS A 51 18.674 -12.061 -5.071 1.00 0.00 N ATOM 0 H LYS A 51 15.741 -8.234 -3.553 1.00 0.00 H new ATOM 0 HA LYS A 51 13.646 -9.066 -2.060 1.00 0.00 H new ATOM 0 HB2 LYS A 51 14.785 -11.313 -1.958 1.00 0.00 H new ATOM 0 HB3 LYS A 51 14.905 -10.569 -3.541 1.00 0.00 H new ATOM 0 HG2 LYS A 51 17.115 -9.723 -1.776 1.00 0.00 H new ATOM 0 HG3 LYS A 51 17.064 -11.466 -1.952 1.00 0.00 H new ATOM 0 HD2 LYS A 51 16.780 -9.683 -4.401 1.00 0.00 H new ATOM 0 HD3 LYS A 51 18.370 -10.032 -3.752 1.00 0.00 H new ATOM 0 HE2 LYS A 51 17.050 -12.546 -3.786 1.00 0.00 H new ATOM 0 HE3 LYS A 51 16.577 -11.783 -5.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 18.661 -12.990 -5.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 18.922 -11.328 -5.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 19.380 -12.067 -4.308 1.00 0.00 H new ATOM 797 N SER A 52 14.157 -8.529 0.354 1.00 0.00 N ATOM 798 CA SER A 52 14.388 -8.457 1.824 1.00 0.00 C ATOM 799 C SER A 52 13.064 -8.687 2.555 1.00 0.00 C ATOM 800 O SER A 52 12.054 -8.985 1.950 1.00 0.00 O ATOM 801 CB SER A 52 14.940 -7.078 2.187 1.00 0.00 C ATOM 802 OG SER A 52 16.016 -6.759 1.314 1.00 0.00 O ATOM 0 H SER A 52 13.292 -8.097 0.030 1.00 0.00 H new ATOM 0 HA SER A 52 15.106 -9.222 2.119 1.00 0.00 H new ATOM 0 HB2 SER A 52 14.155 -6.326 2.105 1.00 0.00 H new ATOM 0 HB3 SER A 52 15.282 -7.071 3.222 1.00 0.00 H new ATOM 0 HG SER A 52 15.665 -6.335 0.503 1.00 0.00 H new ATOM 808 N ALA A 53 13.059 -8.549 3.853 1.00 0.00 N ATOM 809 CA ALA A 53 11.797 -8.759 4.618 1.00 0.00 C ATOM 810 C ALA A 53 11.909 -8.074 5.982 1.00 0.00 C ATOM 811 O ALA A 53 11.240 -8.440 6.927 1.00 0.00 O ATOM 812 CB ALA A 53 11.566 -10.258 4.820 1.00 0.00 C ATOM 0 H ALA A 53 13.873 -8.300 4.416 1.00 0.00 H new ATOM 0 HA ALA A 53 10.961 -8.333 4.063 1.00 0.00 H new ATOM 0 HB1 ALA A 53 10.643 -10.412 5.379 1.00 0.00 H new ATOM 0 HB2 ALA A 53 11.488 -10.748 3.850 1.00 0.00 H new ATOM 0 HB3 ALA A 53 12.402 -10.683 5.375 1.00 0.00 H new ATOM 818 N ASP A 54 12.753 -7.085 6.092 1.00 0.00 N ATOM 819 CA ASP A 54 12.910 -6.382 7.392 1.00 0.00 C ATOM 820 C ASP A 54 11.913 -5.225 7.479 1.00 0.00 C ATOM 821 O ASP A 54 11.012 -5.231 8.293 1.00 0.00 O ATOM 822 CB ASP A 54 14.336 -5.838 7.512 1.00 0.00 C ATOM 823 CG ASP A 54 14.678 -5.625 8.987 1.00 0.00 C ATOM 824 OD1 ASP A 54 13.892 -4.989 9.671 1.00 0.00 O ATOM 825 OD2 ASP A 54 15.719 -6.101 9.408 1.00 0.00 O ATOM 0 H ASP A 54 13.340 -6.735 5.335 1.00 0.00 H new ATOM 0 HA ASP A 54 12.719 -7.083 8.204 1.00 0.00 H new ATOM 0 HB2 ASP A 54 15.042 -6.536 7.061 1.00 0.00 H new ATOM 0 HB3 ASP A 54 14.425 -4.898 6.968 1.00 0.00 H new ATOM 830 N LEU A 55 12.069 -4.229 6.650 1.00 0.00 N ATOM 831 CA LEU A 55 11.132 -3.072 6.692 1.00 0.00 C ATOM 832 C LEU A 55 9.727 -3.534 6.302 1.00 0.00 C ATOM 833 O LEU A 55 8.739 -2.938 6.683 1.00 0.00 O ATOM 834 CB LEU A 55 11.608 -1.991 5.717 1.00 0.00 C ATOM 835 CG LEU A 55 11.440 -2.484 4.278 1.00 0.00 C ATOM 836 CD1 LEU A 55 10.466 -1.568 3.534 1.00 0.00 C ATOM 837 CD2 LEU A 55 12.798 -2.461 3.572 1.00 0.00 C ATOM 0 H LEU A 55 12.805 -4.167 5.946 1.00 0.00 H new ATOM 0 HA LEU A 55 11.109 -2.662 7.702 1.00 0.00 H new ATOM 0 HB2 LEU A 55 11.036 -1.075 5.867 1.00 0.00 H new ATOM 0 HB3 LEU A 55 12.653 -1.749 5.909 1.00 0.00 H new ATOM 0 HG LEU A 55 11.048 -3.501 4.286 1.00 0.00 H new ATOM 0 HD11 LEU A 55 10.347 -1.920 2.509 1.00 0.00 H new ATOM 0 HD12 LEU A 55 9.499 -1.580 4.037 1.00 0.00 H new ATOM 0 HD13 LEU A 55 10.858 -0.551 3.525 1.00 0.00 H new ATOM 0 HD21 LEU A 55 12.681 -2.812 2.547 1.00 0.00 H new ATOM 0 HD22 LEU A 55 13.187 -1.443 3.565 1.00 0.00 H new ATOM 0 HD23 LEU A 55 13.494 -3.112 4.101 1.00 0.00 H new ATOM 849 N ALA A 56 9.626 -4.594 5.547 1.00 0.00 N ATOM 850 CA ALA A 56 8.282 -5.090 5.137 1.00 0.00 C ATOM 851 C ALA A 56 7.516 -5.560 6.375 1.00 0.00 C ATOM 852 O ALA A 56 6.442 -5.076 6.674 1.00 0.00 O ATOM 853 CB ALA A 56 8.443 -6.259 4.164 1.00 0.00 C ATOM 0 H ALA A 56 10.415 -5.137 5.197 1.00 0.00 H new ATOM 0 HA ALA A 56 7.731 -4.286 4.649 1.00 0.00 H new ATOM 0 HB1 ALA A 56 7.460 -6.621 3.865 1.00 0.00 H new ATOM 0 HB2 ALA A 56 8.991 -5.926 3.283 1.00 0.00 H new ATOM 0 HB3 ALA A 56 8.994 -7.064 4.651 1.00 0.00 H new ATOM 859 N LYS A 57 8.060 -6.500 7.098 1.00 0.00 N ATOM 860 CA LYS A 57 7.363 -7.000 8.316 1.00 0.00 C ATOM 861 C LYS A 57 6.842 -5.814 9.130 1.00 0.00 C ATOM 862 O LYS A 57 5.828 -5.904 9.793 1.00 0.00 O ATOM 863 CB LYS A 57 8.345 -7.809 9.166 1.00 0.00 C ATOM 864 CG LYS A 57 7.866 -9.259 9.261 1.00 0.00 C ATOM 865 CD LYS A 57 6.490 -9.300 9.927 1.00 0.00 C ATOM 866 CE LYS A 57 5.500 -10.010 9.003 1.00 0.00 C ATOM 867 NZ LYS A 57 5.882 -11.445 8.879 1.00 0.00 N ATOM 0 H LYS A 57 8.957 -6.943 6.898 1.00 0.00 H new ATOM 0 HA LYS A 57 6.526 -7.633 8.022 1.00 0.00 H new ATOM 0 HB2 LYS A 57 9.341 -7.772 8.724 1.00 0.00 H new ATOM 0 HB3 LYS A 57 8.423 -7.375 10.163 1.00 0.00 H new ATOM 0 HG2 LYS A 57 7.813 -9.702 8.266 1.00 0.00 H new ATOM 0 HG3 LYS A 57 8.578 -9.851 9.836 1.00 0.00 H new ATOM 0 HD2 LYS A 57 6.551 -9.822 10.882 1.00 0.00 H new ATOM 0 HD3 LYS A 57 6.146 -8.288 10.138 1.00 0.00 H new ATOM 0 HE2 LYS A 57 4.489 -9.924 9.400 1.00 0.00 H new ATOM 0 HE3 LYS A 57 5.498 -9.536 8.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 5.063 -11.995 8.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 6.659 -11.539 8.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 6.191 -11.803 9.805 1.00 0.00 H new ATOM 881 N SER A 58 7.528 -4.704 9.090 1.00 0.00 N ATOM 882 CA SER A 58 7.068 -3.518 9.868 1.00 0.00 C ATOM 883 C SER A 58 6.372 -2.519 8.937 1.00 0.00 C ATOM 884 O SER A 58 6.121 -1.389 9.304 1.00 0.00 O ATOM 885 CB SER A 58 8.270 -2.845 10.533 1.00 0.00 C ATOM 886 OG SER A 58 9.454 -3.557 10.195 1.00 0.00 O ATOM 0 H SER A 58 8.385 -4.567 8.554 1.00 0.00 H new ATOM 0 HA SER A 58 6.363 -3.844 10.633 1.00 0.00 H new ATOM 0 HB2 SER A 58 8.349 -1.809 10.204 1.00 0.00 H new ATOM 0 HB3 SER A 58 8.139 -2.827 11.615 1.00 0.00 H new ATOM 0 HG SER A 58 10.226 -3.127 10.618 1.00 0.00 H new ATOM 892 N LEU A 59 6.050 -2.924 7.737 1.00 0.00 N ATOM 893 CA LEU A 59 5.362 -1.989 6.800 1.00 0.00 C ATOM 894 C LEU A 59 3.905 -2.433 6.655 1.00 0.00 C ATOM 895 O LEU A 59 2.995 -1.628 6.641 1.00 0.00 O ATOM 896 CB LEU A 59 6.042 -2.041 5.423 1.00 0.00 C ATOM 897 CG LEU A 59 5.980 -0.673 4.715 1.00 0.00 C ATOM 898 CD1 LEU A 59 4.749 0.127 5.153 1.00 0.00 C ATOM 899 CD2 LEU A 59 7.240 0.123 5.056 1.00 0.00 C ATOM 0 H LEU A 59 6.233 -3.857 7.367 1.00 0.00 H new ATOM 0 HA LEU A 59 5.414 -0.972 7.188 1.00 0.00 H new ATOM 0 HB2 LEU A 59 7.082 -2.345 5.540 1.00 0.00 H new ATOM 0 HB3 LEU A 59 5.557 -2.796 4.804 1.00 0.00 H new ATOM 0 HG LEU A 59 5.912 -0.845 3.641 1.00 0.00 H new ATOM 0 HD11 LEU A 59 4.735 1.086 4.635 1.00 0.00 H new ATOM 0 HD12 LEU A 59 3.846 -0.431 4.907 1.00 0.00 H new ATOM 0 HD13 LEU A 59 4.789 0.296 6.229 1.00 0.00 H new ATOM 0 HD21 LEU A 59 7.204 1.092 4.559 1.00 0.00 H new ATOM 0 HD22 LEU A 59 7.297 0.270 6.135 1.00 0.00 H new ATOM 0 HD23 LEU A 59 8.119 -0.425 4.718 1.00 0.00 H new ATOM 911 N SER A 60 3.683 -3.716 6.535 1.00 0.00 N ATOM 912 CA SER A 60 2.291 -4.231 6.376 1.00 0.00 C ATOM 913 C SER A 60 1.574 -4.248 7.724 1.00 0.00 C ATOM 914 O SER A 60 2.151 -3.973 8.758 1.00 0.00 O ATOM 915 CB SER A 60 2.338 -5.659 5.831 1.00 0.00 C ATOM 916 OG SER A 60 3.509 -5.826 5.044 1.00 0.00 O ATOM 0 H SER A 60 4.409 -4.432 6.540 1.00 0.00 H new ATOM 0 HA SER A 60 1.754 -3.578 5.688 1.00 0.00 H new ATOM 0 HB2 SER A 60 2.334 -6.374 6.654 1.00 0.00 H new ATOM 0 HB3 SER A 60 1.451 -5.860 5.230 1.00 0.00 H new ATOM 0 HG SER A 60 3.896 -6.710 5.217 1.00 0.00 H new ATOM 922 N HIS A 61 0.311 -4.574 7.711 1.00 0.00 N ATOM 923 CA HIS A 61 -0.470 -4.618 8.979 1.00 0.00 C ATOM 924 C HIS A 61 -1.123 -5.996 9.125 1.00 0.00 C ATOM 925 O HIS A 61 -1.057 -6.821 8.235 1.00 0.00 O ATOM 926 CB HIS A 61 -1.556 -3.538 8.944 1.00 0.00 C ATOM 927 CG HIS A 61 -2.635 -3.940 7.976 1.00 0.00 C ATOM 928 ND1 HIS A 61 -3.701 -4.748 8.353 1.00 0.00 N ATOM 929 CD2 HIS A 61 -2.825 -3.658 6.646 1.00 0.00 C ATOM 930 CE1 HIS A 61 -4.476 -4.919 7.264 1.00 0.00 C ATOM 931 NE2 HIS A 61 -3.985 -4.277 6.203 1.00 0.00 N ATOM 0 H HIS A 61 -0.217 -4.813 6.871 1.00 0.00 H new ATOM 0 HA HIS A 61 0.194 -4.439 9.825 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -1.979 -3.401 9.939 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -1.124 -2.583 8.647 1.00 0.00 H new ATOM 0 HD1 HIS A 61 -3.866 -5.139 9.281 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -2.172 -3.049 6.038 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -5.384 -5.504 7.252 1.00 0.00 H new ATOM 939 N LYS A 62 -1.754 -6.253 10.239 1.00 0.00 N ATOM 940 CA LYS A 62 -2.410 -7.578 10.435 1.00 0.00 C ATOM 941 C LYS A 62 -3.886 -7.376 10.792 1.00 0.00 C ATOM 942 O LYS A 62 -4.670 -8.304 10.771 1.00 0.00 O ATOM 943 CB LYS A 62 -1.711 -8.330 11.570 1.00 0.00 C ATOM 944 CG LYS A 62 -0.404 -8.934 11.053 1.00 0.00 C ATOM 945 CD LYS A 62 0.737 -8.575 12.006 1.00 0.00 C ATOM 946 CE LYS A 62 2.060 -9.080 11.429 1.00 0.00 C ATOM 947 NZ LYS A 62 2.096 -10.568 11.501 1.00 0.00 N ATOM 0 H LYS A 62 -1.844 -5.604 11.021 1.00 0.00 H new ATOM 0 HA LYS A 62 -2.337 -8.156 9.514 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -1.508 -7.652 12.399 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -2.361 -9.117 11.954 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -0.498 -10.017 10.973 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -0.188 -8.558 10.053 1.00 0.00 H new ATOM 0 HD2 LYS A 62 0.779 -7.495 12.150 1.00 0.00 H new ATOM 0 HD3 LYS A 62 0.561 -9.020 12.985 1.00 0.00 H new ATOM 0 HE2 LYS A 62 2.167 -8.752 10.395 1.00 0.00 H new ATOM 0 HE3 LYS A 62 2.897 -8.658 11.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 3.061 -10.902 11.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 1.811 -10.877 12.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 1.441 -10.966 10.798 1.00 0.00 H new ATOM 961 N GLN A 63 -4.272 -6.173 11.121 1.00 0.00 N ATOM 962 CA GLN A 63 -5.696 -5.919 11.479 1.00 0.00 C ATOM 963 C GLN A 63 -6.471 -5.486 10.232 1.00 0.00 C ATOM 964 O GLN A 63 -6.340 -4.373 9.762 1.00 0.00 O ATOM 965 CB GLN A 63 -5.768 -4.811 12.533 1.00 0.00 C ATOM 966 CG GLN A 63 -7.204 -4.688 13.045 1.00 0.00 C ATOM 967 CD GLN A 63 -7.190 -4.199 14.495 1.00 0.00 C ATOM 968 OE1 GLN A 63 -7.330 -4.982 15.413 1.00 0.00 O ATOM 969 NE2 GLN A 63 -7.025 -2.928 14.741 1.00 0.00 N ATOM 0 H GLN A 63 -3.663 -5.356 11.157 1.00 0.00 H new ATOM 0 HA GLN A 63 -6.136 -6.833 11.879 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -5.094 -5.036 13.359 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -5.441 -3.864 12.104 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -7.765 -3.992 12.421 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -7.708 -5.652 12.980 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -6.907 -2.270 13.970 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -7.014 -2.592 15.704 1.00 0.00 H new ATOM 978 N LEU A 64 -7.281 -6.357 9.695 1.00 0.00 N ATOM 979 CA LEU A 64 -8.067 -5.997 8.482 1.00 0.00 C ATOM 980 C LEU A 64 -8.759 -4.651 8.709 1.00 0.00 C ATOM 981 O LEU A 64 -8.855 -4.174 9.822 1.00 0.00 O ATOM 982 CB LEU A 64 -9.122 -7.074 8.222 1.00 0.00 C ATOM 983 CG LEU A 64 -8.433 -8.381 7.827 1.00 0.00 C ATOM 984 CD1 LEU A 64 -8.329 -9.292 9.050 1.00 0.00 C ATOM 985 CD2 LEU A 64 -9.252 -9.082 6.741 1.00 0.00 C ATOM 0 H LEU A 64 -7.432 -7.303 10.045 1.00 0.00 H new ATOM 0 HA LEU A 64 -7.401 -5.925 7.622 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -9.729 -7.226 9.115 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -9.797 -6.753 7.429 1.00 0.00 H new ATOM 0 HG LEU A 64 -7.434 -8.164 7.448 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -7.838 -10.224 8.769 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -7.747 -8.795 9.826 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -9.328 -9.508 9.429 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -8.761 -10.014 6.459 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -10.250 -9.298 7.121 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -9.329 -8.434 5.868 1.00 0.00 H new ATOM 997 N LEU A 65 -9.243 -4.033 7.666 1.00 0.00 N ATOM 998 CA LEU A 65 -9.926 -2.720 7.837 1.00 0.00 C ATOM 999 C LEU A 65 -11.370 -2.949 8.286 1.00 0.00 C ATOM 1000 O LEU A 65 -12.056 -3.816 7.782 1.00 0.00 O ATOM 1001 CB LEU A 65 -9.928 -1.963 6.508 1.00 0.00 C ATOM 1002 CG LEU A 65 -8.595 -1.235 6.322 1.00 0.00 C ATOM 1003 CD1 LEU A 65 -7.436 -2.168 6.682 1.00 0.00 C ATOM 1004 CD2 LEU A 65 -8.459 -0.794 4.863 1.00 0.00 C ATOM 0 H LEU A 65 -9.195 -4.379 6.708 1.00 0.00 H new ATOM 0 HA LEU A 65 -9.395 -2.136 8.589 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -10.091 -2.658 5.684 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -10.749 -1.247 6.489 1.00 0.00 H new ATOM 0 HG LEU A 65 -8.567 -0.363 6.975 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -6.491 -1.643 6.547 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -7.531 -2.482 7.721 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -7.460 -3.044 6.034 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -7.510 -0.275 4.727 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -8.490 -1.669 4.214 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -9.279 -0.123 4.608 1.00 0.00 H new ATOM 1016 N MET A 66 -11.836 -2.176 9.225 1.00 0.00 N ATOM 1017 CA MET A 66 -13.236 -2.346 9.702 1.00 0.00 C ATOM 1018 C MET A 66 -13.953 -0.994 9.677 1.00 0.00 C ATOM 1019 O MET A 66 -15.127 -0.899 9.978 1.00 0.00 O ATOM 1020 CB MET A 66 -13.227 -2.897 11.129 1.00 0.00 C ATOM 1021 CG MET A 66 -13.955 -4.242 11.158 1.00 0.00 C ATOM 1022 SD MET A 66 -13.053 -5.396 12.221 1.00 0.00 S ATOM 1023 CE MET A 66 -13.781 -4.871 13.792 1.00 0.00 C ATOM 0 H MET A 66 -11.308 -1.433 9.683 1.00 0.00 H new ATOM 0 HA MET A 66 -13.759 -3.044 9.049 1.00 0.00 H new ATOM 0 HB2 MET A 66 -12.201 -3.018 11.477 1.00 0.00 H new ATOM 0 HB3 MET A 66 -13.712 -2.193 11.805 1.00 0.00 H new ATOM 0 HG2 MET A 66 -14.972 -4.109 11.528 1.00 0.00 H new ATOM 0 HG3 MET A 66 -14.034 -4.647 10.149 1.00 0.00 H new ATOM 0 HE1 MET A 66 -13.359 -5.463 14.604 1.00 0.00 H new ATOM 0 HE2 MET A 66 -13.562 -3.817 13.960 1.00 0.00 H new ATOM 0 HE3 MET A 66 -14.861 -5.017 13.759 1.00 0.00 H new ATOM 1033 N SER A 67 -13.261 0.054 9.316 1.00 0.00 N ATOM 1034 CA SER A 67 -13.909 1.396 9.268 1.00 0.00 C ATOM 1035 C SER A 67 -13.916 1.902 7.822 1.00 0.00 C ATOM 1036 O SER A 67 -12.997 1.640 7.073 1.00 0.00 O ATOM 1037 CB SER A 67 -13.131 2.374 10.147 1.00 0.00 C ATOM 1038 OG SER A 67 -13.632 3.687 9.934 1.00 0.00 O ATOM 0 H SER A 67 -12.276 0.038 9.053 1.00 0.00 H new ATOM 0 HA SER A 67 -14.933 1.319 9.635 1.00 0.00 H new ATOM 0 HB2 SER A 67 -13.231 2.098 11.197 1.00 0.00 H new ATOM 0 HB3 SER A 67 -12.069 2.333 9.907 1.00 0.00 H new ATOM 0 HG SER A 67 -13.101 4.328 10.451 1.00 0.00 H new ATOM 1044 N PRO A 68 -14.963 2.604 7.471 1.00 0.00 N ATOM 1045 CA PRO A 68 -15.134 3.152 6.114 1.00 0.00 C ATOM 1046 C PRO A 68 -14.342 4.454 5.926 1.00 0.00 C ATOM 1047 O PRO A 68 -14.888 5.535 6.032 1.00 0.00 O ATOM 1048 CB PRO A 68 -16.636 3.430 6.031 1.00 0.00 C ATOM 1049 CG PRO A 68 -17.138 3.574 7.488 1.00 0.00 C ATOM 1050 CD PRO A 68 -16.080 2.909 8.389 1.00 0.00 C ATOM 0 HA PRO A 68 -14.772 2.471 5.344 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -16.831 4.339 5.462 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -17.153 2.617 5.521 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -17.266 4.624 7.751 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -18.109 3.094 7.612 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -15.765 3.575 9.192 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -16.468 2.005 8.859 1.00 0.00 H new ATOM 1058 N GLY A 69 -13.072 4.373 5.616 1.00 0.00 N ATOM 1059 CA GLY A 69 -12.297 5.629 5.394 1.00 0.00 C ATOM 1060 C GLY A 69 -11.057 5.688 6.292 1.00 0.00 C ATOM 1061 O GLY A 69 -10.766 6.708 6.882 1.00 0.00 O ATOM 0 H GLY A 69 -12.546 3.506 5.509 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -11.994 5.691 4.349 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -12.934 6.491 5.593 1.00 0.00 H new ATOM 1065 N GLN A 70 -10.312 4.620 6.387 1.00 0.00 N ATOM 1066 CA GLN A 70 -9.083 4.648 7.234 1.00 0.00 C ATOM 1067 C GLN A 70 -8.520 3.235 7.384 1.00 0.00 C ATOM 1068 O GLN A 70 -9.157 2.357 7.933 1.00 0.00 O ATOM 1069 CB GLN A 70 -9.413 5.208 8.619 1.00 0.00 C ATOM 1070 CG GLN A 70 -10.642 4.495 9.185 1.00 0.00 C ATOM 1071 CD GLN A 70 -10.975 5.073 10.562 1.00 0.00 C ATOM 1072 OE1 GLN A 70 -12.126 5.137 10.944 1.00 0.00 O ATOM 1073 NE2 GLN A 70 -10.009 5.501 11.328 1.00 0.00 N ATOM 0 H GLN A 70 -10.499 3.734 5.918 1.00 0.00 H new ATOM 0 HA GLN A 70 -8.342 5.286 6.752 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -8.563 5.074 9.288 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -9.601 6.280 8.553 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -11.490 4.619 8.512 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -10.451 3.425 9.264 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -9.042 5.447 11.008 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -10.221 5.889 12.247 1.00 0.00 H new ATOM 1082 N SER A 71 -7.325 3.008 6.908 1.00 0.00 N ATOM 1083 CA SER A 71 -6.722 1.654 7.035 1.00 0.00 C ATOM 1084 C SER A 71 -5.485 1.739 7.933 1.00 0.00 C ATOM 1085 O SER A 71 -5.434 2.526 8.858 1.00 0.00 O ATOM 1086 CB SER A 71 -6.324 1.133 5.652 1.00 0.00 C ATOM 1087 OG SER A 71 -4.982 1.507 5.373 1.00 0.00 O ATOM 0 H SER A 71 -6.743 3.701 6.438 1.00 0.00 H new ATOM 0 HA SER A 71 -7.447 0.970 7.475 1.00 0.00 H new ATOM 0 HB2 SER A 71 -6.425 0.048 5.617 1.00 0.00 H new ATOM 0 HB3 SER A 71 -6.992 1.540 4.892 1.00 0.00 H new ATOM 0 HG SER A 71 -4.818 2.413 5.709 1.00 0.00 H new ATOM 1093 N THR A 72 -4.489 0.937 7.675 1.00 0.00 N ATOM 1094 CA THR A 72 -3.264 0.980 8.522 1.00 0.00 C ATOM 1095 C THR A 72 -2.214 1.887 7.876 1.00 0.00 C ATOM 1096 O THR A 72 -1.516 1.490 6.963 1.00 0.00 O ATOM 1097 CB THR A 72 -2.695 -0.432 8.664 1.00 0.00 C ATOM 1098 OG1 THR A 72 -3.660 -1.270 9.282 1.00 0.00 O ATOM 1099 CG2 THR A 72 -1.428 -0.388 9.519 1.00 0.00 C ATOM 0 H THR A 72 -4.470 0.255 6.916 1.00 0.00 H new ATOM 0 HA THR A 72 -3.522 1.374 9.505 1.00 0.00 H new ATOM 0 HB THR A 72 -2.451 -0.828 7.678 1.00 0.00 H new ATOM 0 HG1 THR A 72 -3.294 -1.630 10.117 1.00 0.00 H new ATOM 0 HG21 THR A 72 -1.022 -1.395 9.620 1.00 0.00 H new ATOM 0 HG22 THR A 72 -0.689 0.255 9.041 1.00 0.00 H new ATOM 0 HG23 THR A 72 -1.669 0.007 10.506 1.00 0.00 H new ATOM 1107 N SER A 73 -2.087 3.097 8.348 1.00 0.00 N ATOM 1108 CA SER A 73 -1.072 4.021 7.767 1.00 0.00 C ATOM 1109 C SER A 73 0.299 3.681 8.352 1.00 0.00 C ATOM 1110 O SER A 73 0.548 3.875 9.525 1.00 0.00 O ATOM 1111 CB SER A 73 -1.434 5.465 8.116 1.00 0.00 C ATOM 1112 OG SER A 73 -1.597 5.580 9.523 1.00 0.00 O ATOM 0 H SER A 73 -2.642 3.486 9.111 1.00 0.00 H new ATOM 0 HA SER A 73 -1.049 3.910 6.683 1.00 0.00 H new ATOM 0 HB2 SER A 73 -0.652 6.142 7.772 1.00 0.00 H new ATOM 0 HB3 SER A 73 -2.353 5.755 7.607 1.00 0.00 H new ATOM 0 HG SER A 73 -0.864 5.114 9.976 1.00 0.00 H new ATOM 1118 N THR A 74 1.188 3.167 7.549 1.00 0.00 N ATOM 1119 CA THR A 74 2.538 2.806 8.067 1.00 0.00 C ATOM 1120 C THR A 74 3.535 3.916 7.736 1.00 0.00 C ATOM 1121 O THR A 74 3.651 4.342 6.605 1.00 0.00 O ATOM 1122 CB THR A 74 3.000 1.501 7.411 1.00 0.00 C ATOM 1123 OG1 THR A 74 1.884 0.637 7.248 1.00 0.00 O ATOM 1124 CG2 THR A 74 4.046 0.825 8.299 1.00 0.00 C ATOM 0 H THR A 74 1.039 2.981 6.557 1.00 0.00 H new ATOM 0 HA THR A 74 2.486 2.679 9.148 1.00 0.00 H new ATOM 0 HB THR A 74 3.439 1.717 6.437 1.00 0.00 H new ATOM 0 HG1 THR A 74 2.171 -0.293 7.362 1.00 0.00 H new ATOM 0 HG21 THR A 74 4.374 -0.103 7.832 1.00 0.00 H new ATOM 0 HG22 THR A 74 4.901 1.490 8.425 1.00 0.00 H new ATOM 0 HG23 THR A 74 3.609 0.606 9.273 1.00 0.00 H new ATOM 1132 N THR A 75 4.269 4.379 8.712 1.00 0.00 N ATOM 1133 CA THR A 75 5.270 5.449 8.435 1.00 0.00 C ATOM 1134 C THR A 75 6.537 4.789 7.894 1.00 0.00 C ATOM 1135 O THR A 75 7.365 4.300 8.637 1.00 0.00 O ATOM 1136 CB THR A 75 5.598 6.248 9.714 1.00 0.00 C ATOM 1137 OG1 THR A 75 6.901 5.916 10.172 1.00 0.00 O ATOM 1138 CG2 THR A 75 4.583 5.936 10.815 1.00 0.00 C ATOM 0 H THR A 75 4.220 4.066 9.681 1.00 0.00 H new ATOM 0 HA THR A 75 4.860 6.147 7.705 1.00 0.00 H new ATOM 0 HB THR A 75 5.552 7.311 9.477 1.00 0.00 H new ATOM 0 HG1 THR A 75 7.032 4.947 10.112 1.00 0.00 H new ATOM 0 HG21 THR A 75 4.829 6.508 11.710 1.00 0.00 H new ATOM 0 HG22 THR A 75 3.583 6.206 10.475 1.00 0.00 H new ATOM 0 HG23 THR A 75 4.612 4.871 11.046 1.00 0.00 H new ATOM 1146 N PHE A 76 6.690 4.754 6.602 1.00 0.00 N ATOM 1147 CA PHE A 76 7.899 4.115 6.024 1.00 0.00 C ATOM 1148 C PHE A 76 9.130 4.593 6.799 1.00 0.00 C ATOM 1149 O PHE A 76 9.120 5.664 7.374 1.00 0.00 O ATOM 1150 CB PHE A 76 8.019 4.491 4.548 1.00 0.00 C ATOM 1151 CG PHE A 76 7.144 3.573 3.731 1.00 0.00 C ATOM 1152 CD1 PHE A 76 5.755 3.757 3.715 1.00 0.00 C ATOM 1153 CD2 PHE A 76 7.721 2.534 2.992 1.00 0.00 C ATOM 1154 CE1 PHE A 76 4.947 2.902 2.958 1.00 0.00 C ATOM 1155 CE2 PHE A 76 6.912 1.679 2.236 1.00 0.00 C ATOM 1156 CZ PHE A 76 5.526 1.864 2.220 1.00 0.00 C ATOM 0 H PHE A 76 6.032 5.139 5.924 1.00 0.00 H new ATOM 0 HA PHE A 76 7.824 3.030 6.101 1.00 0.00 H new ATOM 0 HB2 PHE A 76 7.718 5.528 4.399 1.00 0.00 H new ATOM 0 HB3 PHE A 76 9.056 4.410 4.223 1.00 0.00 H new ATOM 0 HD1 PHE A 76 5.309 4.558 4.286 1.00 0.00 H new ATOM 0 HD2 PHE A 76 8.792 2.392 3.005 1.00 0.00 H new ATOM 0 HE1 PHE A 76 3.876 3.043 2.943 1.00 0.00 H new ATOM 0 HE2 PHE A 76 7.357 0.877 1.666 1.00 0.00 H new ATOM 0 HZ PHE A 76 4.901 1.204 1.637 1.00 0.00 H new ATOM 1166 N PRO A 77 10.146 3.773 6.810 1.00 0.00 N ATOM 1167 CA PRO A 77 11.397 4.072 7.529 1.00 0.00 C ATOM 1168 C PRO A 77 12.258 5.077 6.759 1.00 0.00 C ATOM 1169 O PRO A 77 12.050 5.325 5.588 1.00 0.00 O ATOM 1170 CB PRO A 77 12.098 2.713 7.606 1.00 0.00 C ATOM 1171 CG PRO A 77 11.505 1.849 6.469 1.00 0.00 C ATOM 1172 CD PRO A 77 10.145 2.475 6.105 1.00 0.00 C ATOM 0 HA PRO A 77 11.219 4.523 8.505 1.00 0.00 H new ATOM 0 HB2 PRO A 77 13.176 2.825 7.487 1.00 0.00 H new ATOM 0 HB3 PRO A 77 11.932 2.245 8.576 1.00 0.00 H new ATOM 0 HG2 PRO A 77 12.169 1.836 5.605 1.00 0.00 H new ATOM 0 HG3 PRO A 77 11.382 0.815 6.792 1.00 0.00 H new ATOM 0 HD2 PRO A 77 10.042 2.606 5.028 1.00 0.00 H new ATOM 0 HD3 PRO A 77 9.317 1.845 6.430 1.00 0.00 H new ATOM 1180 N ALA A 78 13.238 5.644 7.413 1.00 0.00 N ATOM 1181 CA ALA A 78 14.130 6.625 6.733 1.00 0.00 C ATOM 1182 C ALA A 78 15.158 5.877 5.881 1.00 0.00 C ATOM 1183 O ALA A 78 16.077 6.463 5.346 1.00 0.00 O ATOM 1184 CB ALA A 78 14.859 7.467 7.783 1.00 0.00 C ATOM 0 H ALA A 78 13.459 5.468 8.393 1.00 0.00 H new ATOM 0 HA ALA A 78 13.532 7.275 6.095 1.00 0.00 H new ATOM 0 HB1 ALA A 78 15.511 8.184 7.285 1.00 0.00 H new ATOM 0 HB2 ALA A 78 14.129 8.001 8.391 1.00 0.00 H new ATOM 0 HB3 ALA A 78 15.456 6.816 8.421 1.00 0.00 H new ATOM 1190 N ASP A 79 15.012 4.587 5.745 1.00 0.00 N ATOM 1191 CA ASP A 79 15.980 3.815 4.923 1.00 0.00 C ATOM 1192 C ASP A 79 15.379 3.578 3.538 1.00 0.00 C ATOM 1193 O ASP A 79 16.068 3.176 2.624 1.00 0.00 O ATOM 1194 CB ASP A 79 16.269 2.470 5.595 1.00 0.00 C ATOM 1195 CG ASP A 79 16.349 2.664 7.110 1.00 0.00 C ATOM 1196 OD1 ASP A 79 16.844 3.697 7.530 1.00 0.00 O ATOM 1197 OD2 ASP A 79 15.915 1.775 7.825 1.00 0.00 O ATOM 0 H ASP A 79 14.264 4.037 6.168 1.00 0.00 H new ATOM 0 HA ASP A 79 16.911 4.374 4.830 1.00 0.00 H new ATOM 0 HB2 ASP A 79 15.485 1.753 5.350 1.00 0.00 H new ATOM 0 HB3 ASP A 79 17.206 2.058 5.220 1.00 0.00 H new ATOM 1202 N ALA A 80 14.098 3.835 3.387 1.00 0.00 N ATOM 1203 CA ALA A 80 13.422 3.643 2.062 1.00 0.00 C ATOM 1204 C ALA A 80 14.407 3.945 0.927 1.00 0.00 C ATOM 1205 O ALA A 80 14.563 5.083 0.530 1.00 0.00 O ATOM 1206 CB ALA A 80 12.232 4.600 1.962 1.00 0.00 C ATOM 0 H ALA A 80 13.488 4.172 4.132 1.00 0.00 H new ATOM 0 HA ALA A 80 13.079 2.612 1.978 1.00 0.00 H new ATOM 0 HB1 ALA A 80 11.736 4.465 1.001 1.00 0.00 H new ATOM 0 HB2 ALA A 80 11.527 4.389 2.766 1.00 0.00 H new ATOM 0 HB3 ALA A 80 12.584 5.628 2.048 1.00 0.00 H new ATOM 1212 N PRO A 81 15.056 2.913 0.449 1.00 0.00 N ATOM 1213 CA PRO A 81 16.050 3.032 -0.631 1.00 0.00 C ATOM 1214 C PRO A 81 15.361 3.157 -1.992 1.00 0.00 C ATOM 1215 O PRO A 81 14.191 2.866 -2.136 1.00 0.00 O ATOM 1216 CB PRO A 81 16.839 1.723 -0.536 1.00 0.00 C ATOM 1217 CG PRO A 81 15.918 0.708 0.183 1.00 0.00 C ATOM 1218 CD PRO A 81 14.857 1.531 0.938 1.00 0.00 C ATOM 0 HA PRO A 81 16.681 3.915 -0.534 1.00 0.00 H new ATOM 0 HB2 PRO A 81 17.114 1.363 -1.527 1.00 0.00 H new ATOM 0 HB3 PRO A 81 17.766 1.868 0.019 1.00 0.00 H new ATOM 0 HG2 PRO A 81 15.448 0.036 -0.535 1.00 0.00 H new ATOM 0 HG3 PRO A 81 16.490 0.088 0.873 1.00 0.00 H new ATOM 0 HD2 PRO A 81 13.850 1.174 0.724 1.00 0.00 H new ATOM 0 HD3 PRO A 81 14.996 1.466 2.017 1.00 0.00 H new ATOM 1226 N ALA A 82 16.082 3.589 -2.990 1.00 0.00 N ATOM 1227 CA ALA A 82 15.473 3.734 -4.341 1.00 0.00 C ATOM 1228 C ALA A 82 15.069 2.355 -4.864 1.00 0.00 C ATOM 1229 O ALA A 82 15.903 1.513 -5.132 1.00 0.00 O ATOM 1230 CB ALA A 82 16.490 4.364 -5.295 1.00 0.00 C ATOM 0 H ALA A 82 17.067 3.848 -2.928 1.00 0.00 H new ATOM 0 HA ALA A 82 14.592 4.373 -4.278 1.00 0.00 H new ATOM 0 HB1 ALA A 82 16.044 4.470 -6.284 1.00 0.00 H new ATOM 0 HB2 ALA A 82 16.780 5.346 -4.921 1.00 0.00 H new ATOM 0 HB3 ALA A 82 17.371 3.726 -5.361 1.00 0.00 H new ATOM 1236 N GLY A 83 13.795 2.115 -5.009 1.00 0.00 N ATOM 1237 CA GLY A 83 13.342 0.789 -5.511 1.00 0.00 C ATOM 1238 C GLY A 83 11.826 0.805 -5.720 1.00 0.00 C ATOM 1239 O GLY A 83 11.112 1.580 -5.115 1.00 0.00 O ATOM 0 H GLY A 83 13.049 2.779 -4.802 1.00 0.00 H new ATOM 0 HA2 GLY A 83 13.845 0.553 -6.449 1.00 0.00 H new ATOM 0 HA3 GLY A 83 13.612 0.009 -4.799 1.00 0.00 H new ATOM 1243 N GLU A 84 11.331 -0.047 -6.576 1.00 0.00 N ATOM 1244 CA GLU A 84 9.864 -0.085 -6.831 1.00 0.00 C ATOM 1245 C GLU A 84 9.199 -1.075 -5.872 1.00 0.00 C ATOM 1246 O GLU A 84 9.289 -2.275 -6.043 1.00 0.00 O ATOM 1247 CB GLU A 84 9.610 -0.530 -8.273 1.00 0.00 C ATOM 1248 CG GLU A 84 10.229 -1.912 -8.497 1.00 0.00 C ATOM 1249 CD GLU A 84 9.127 -2.973 -8.514 1.00 0.00 C ATOM 1250 OE1 GLU A 84 8.166 -2.788 -9.242 1.00 0.00 O ATOM 1251 OE2 GLU A 84 9.264 -3.952 -7.799 1.00 0.00 O ATOM 0 H GLU A 84 11.881 -0.719 -7.110 1.00 0.00 H new ATOM 0 HA GLU A 84 9.445 0.909 -6.674 1.00 0.00 H new ATOM 0 HB2 GLU A 84 8.539 -0.563 -8.471 1.00 0.00 H new ATOM 0 HB3 GLU A 84 10.041 0.190 -8.968 1.00 0.00 H new ATOM 0 HG2 GLU A 84 10.777 -1.928 -9.439 1.00 0.00 H new ATOM 0 HG3 GLU A 84 10.947 -2.132 -7.707 1.00 0.00 H new ATOM 1258 N TYR A 85 8.525 -0.584 -4.869 1.00 0.00 N ATOM 1259 CA TYR A 85 7.847 -1.498 -3.908 1.00 0.00 C ATOM 1260 C TYR A 85 6.517 -1.951 -4.511 1.00 0.00 C ATOM 1261 O TYR A 85 6.059 -1.403 -5.494 1.00 0.00 O ATOM 1262 CB TYR A 85 7.593 -0.757 -2.594 1.00 0.00 C ATOM 1263 CG TYR A 85 8.870 -0.092 -2.137 1.00 0.00 C ATOM 1264 CD1 TYR A 85 10.112 -0.628 -2.503 1.00 0.00 C ATOM 1265 CD2 TYR A 85 8.813 1.062 -1.347 1.00 0.00 C ATOM 1266 CE1 TYR A 85 11.294 -0.009 -2.079 1.00 0.00 C ATOM 1267 CE2 TYR A 85 9.995 1.680 -0.923 1.00 0.00 C ATOM 1268 CZ TYR A 85 11.236 1.145 -1.289 1.00 0.00 C ATOM 1269 OH TYR A 85 12.401 1.755 -0.872 1.00 0.00 O ATOM 0 H TYR A 85 8.415 0.411 -4.673 1.00 0.00 H new ATOM 0 HA TYR A 85 8.476 -2.366 -3.712 1.00 0.00 H new ATOM 0 HB2 TYR A 85 6.810 -0.011 -2.730 1.00 0.00 H new ATOM 0 HB3 TYR A 85 7.241 -1.454 -1.833 1.00 0.00 H new ATOM 0 HD1 TYR A 85 10.157 -1.519 -3.112 1.00 0.00 H new ATOM 0 HD2 TYR A 85 7.856 1.476 -1.064 1.00 0.00 H new ATOM 0 HE1 TYR A 85 12.251 -0.422 -2.362 1.00 0.00 H new ATOM 0 HE2 TYR A 85 9.950 2.570 -0.313 1.00 0.00 H new ATOM 0 HH TYR A 85 12.857 2.152 -1.644 1.00 0.00 H new ATOM 1279 N THR A 86 5.891 -2.946 -3.945 1.00 0.00 N ATOM 1280 CA THR A 86 4.597 -3.412 -4.517 1.00 0.00 C ATOM 1281 C THR A 86 3.718 -4.027 -3.427 1.00 0.00 C ATOM 1282 O THR A 86 4.040 -5.050 -2.856 1.00 0.00 O ATOM 1283 CB THR A 86 4.867 -4.457 -5.602 1.00 0.00 C ATOM 1284 OG1 THR A 86 5.654 -3.875 -6.631 1.00 0.00 O ATOM 1285 CG2 THR A 86 3.539 -4.941 -6.184 1.00 0.00 C ATOM 0 H THR A 86 6.215 -3.452 -3.120 1.00 0.00 H new ATOM 0 HA THR A 86 4.076 -2.557 -4.947 1.00 0.00 H new ATOM 0 HB THR A 86 5.402 -5.303 -5.170 1.00 0.00 H new ATOM 0 HG1 THR A 86 5.829 -4.543 -7.326 1.00 0.00 H new ATOM 0 HG21 THR A 86 3.730 -5.685 -6.957 1.00 0.00 H new ATOM 0 HG22 THR A 86 2.936 -5.386 -5.393 1.00 0.00 H new ATOM 0 HG23 THR A 86 3.003 -4.097 -6.618 1.00 0.00 H new ATOM 1293 N PHE A 87 2.597 -3.418 -3.152 1.00 0.00 N ATOM 1294 CA PHE A 87 1.678 -3.967 -2.123 1.00 0.00 C ATOM 1295 C PHE A 87 0.357 -4.335 -2.796 1.00 0.00 C ATOM 1296 O PHE A 87 0.119 -3.982 -3.934 1.00 0.00 O ATOM 1297 CB PHE A 87 1.429 -2.926 -1.034 1.00 0.00 C ATOM 1298 CG PHE A 87 1.419 -1.562 -1.659 1.00 0.00 C ATOM 1299 CD1 PHE A 87 2.618 -0.867 -1.829 1.00 0.00 C ATOM 1300 CD2 PHE A 87 0.213 -0.999 -2.081 1.00 0.00 C ATOM 1301 CE1 PHE A 87 2.613 0.397 -2.421 1.00 0.00 C ATOM 1302 CE2 PHE A 87 0.203 0.264 -2.674 1.00 0.00 C ATOM 1303 CZ PHE A 87 1.405 0.966 -2.845 1.00 0.00 C ATOM 0 H PHE A 87 2.279 -2.559 -3.600 1.00 0.00 H new ATOM 0 HA PHE A 87 2.124 -4.850 -1.665 1.00 0.00 H new ATOM 0 HB2 PHE A 87 0.478 -3.120 -0.537 1.00 0.00 H new ATOM 0 HB3 PHE A 87 2.205 -2.985 -0.271 1.00 0.00 H new ATOM 0 HD1 PHE A 87 3.549 -1.307 -1.503 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -0.712 -1.541 -1.948 1.00 0.00 H new ATOM 0 HE1 PHE A 87 3.540 0.936 -2.552 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -0.729 0.700 -3.001 1.00 0.00 H new ATOM 0 HZ PHE A 87 1.399 1.944 -3.303 1.00 0.00 H new ATOM 1313 N TYR A 88 -0.508 -5.040 -2.121 1.00 0.00 N ATOM 1314 CA TYR A 88 -1.797 -5.410 -2.760 1.00 0.00 C ATOM 1315 C TYR A 88 -2.833 -5.789 -1.703 1.00 0.00 C ATOM 1316 O TYR A 88 -2.699 -5.470 -0.538 1.00 0.00 O ATOM 1317 CB TYR A 88 -1.575 -6.595 -3.699 1.00 0.00 C ATOM 1318 CG TYR A 88 -1.179 -7.802 -2.885 1.00 0.00 C ATOM 1319 CD1 TYR A 88 0.130 -7.920 -2.404 1.00 0.00 C ATOM 1320 CD2 TYR A 88 -2.121 -8.798 -2.606 1.00 0.00 C ATOM 1321 CE1 TYR A 88 0.497 -9.034 -1.643 1.00 0.00 C ATOM 1322 CE2 TYR A 88 -1.754 -9.914 -1.846 1.00 0.00 C ATOM 1323 CZ TYR A 88 -0.445 -10.032 -1.363 1.00 0.00 C ATOM 1324 OH TYR A 88 -0.083 -11.131 -0.611 1.00 0.00 O ATOM 0 H TYR A 88 -0.379 -5.372 -1.165 1.00 0.00 H new ATOM 0 HA TYR A 88 -2.168 -4.553 -3.322 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -2.484 -6.803 -4.263 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -0.797 -6.359 -4.425 1.00 0.00 H new ATOM 0 HD1 TYR A 88 0.856 -7.151 -2.621 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -3.131 -8.706 -2.977 1.00 0.00 H new ATOM 0 HE1 TYR A 88 1.507 -9.125 -1.271 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -2.480 -10.684 -1.632 1.00 0.00 H new ATOM 0 HH TYR A 88 -0.855 -11.726 -0.509 1.00 0.00 H new ATOM 1334 N CYS A 89 -3.872 -6.462 -2.114 1.00 0.00 N ATOM 1335 CA CYS A 89 -4.936 -6.862 -1.155 1.00 0.00 C ATOM 1336 C CYS A 89 -5.049 -8.386 -1.116 1.00 0.00 C ATOM 1337 O CYS A 89 -5.048 -9.043 -2.138 1.00 0.00 O ATOM 1338 CB CYS A 89 -6.272 -6.286 -1.621 1.00 0.00 C ATOM 1339 SG CYS A 89 -6.610 -4.730 -0.767 1.00 0.00 S ATOM 0 H CYS A 89 -4.029 -6.753 -3.079 1.00 0.00 H new ATOM 0 HA CYS A 89 -4.686 -6.485 -0.163 1.00 0.00 H new ATOM 0 HB2 CYS A 89 -6.250 -6.121 -2.698 1.00 0.00 H new ATOM 0 HB3 CYS A 89 -7.073 -6.999 -1.424 1.00 0.00 H new ATOM 1344 N GLU A 90 -5.169 -8.951 0.051 1.00 0.00 N ATOM 1345 CA GLU A 90 -5.309 -10.428 0.149 1.00 0.00 C ATOM 1346 C GLU A 90 -6.713 -10.849 -0.315 1.00 0.00 C ATOM 1347 O GLU A 90 -6.845 -11.797 -1.063 1.00 0.00 O ATOM 1348 CB GLU A 90 -5.090 -10.879 1.596 1.00 0.00 C ATOM 1349 CG GLU A 90 -4.704 -12.360 1.611 1.00 0.00 C ATOM 1350 CD GLU A 90 -5.893 -13.191 2.096 1.00 0.00 C ATOM 1351 OE1 GLU A 90 -6.777 -13.447 1.295 1.00 0.00 O ATOM 1352 OE2 GLU A 90 -5.900 -13.558 3.259 1.00 0.00 O ATOM 0 H GLU A 90 -5.176 -8.453 0.941 1.00 0.00 H new ATOM 0 HA GLU A 90 -4.561 -10.898 -0.490 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -4.305 -10.282 2.060 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -5.997 -10.722 2.179 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -4.406 -12.680 0.612 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -3.846 -12.517 2.265 1.00 0.00 H new ATOM 1359 N PRO A 91 -7.727 -10.139 0.137 1.00 0.00 N ATOM 1360 CA PRO A 91 -9.120 -10.443 -0.235 1.00 0.00 C ATOM 1361 C PRO A 91 -9.428 -9.916 -1.641 1.00 0.00 C ATOM 1362 O PRO A 91 -9.761 -10.671 -2.532 1.00 0.00 O ATOM 1363 CB PRO A 91 -9.947 -9.710 0.824 1.00 0.00 C ATOM 1364 CG PRO A 91 -9.043 -8.590 1.387 1.00 0.00 C ATOM 1365 CD PRO A 91 -7.592 -8.980 1.048 1.00 0.00 C ATOM 0 HA PRO A 91 -9.332 -11.512 -0.263 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -10.855 -9.294 0.388 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -10.258 -10.393 1.615 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -9.298 -7.627 0.944 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -9.175 -8.491 2.464 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -7.061 -8.158 0.569 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -7.031 -9.242 1.945 1.00 0.00 H new ATOM 1373 N HIS A 92 -9.315 -8.630 -1.854 1.00 0.00 N ATOM 1374 CA HIS A 92 -9.599 -8.082 -3.213 1.00 0.00 C ATOM 1375 C HIS A 92 -8.462 -8.472 -4.160 1.00 0.00 C ATOM 1376 O HIS A 92 -7.827 -7.628 -4.761 1.00 0.00 O ATOM 1377 CB HIS A 92 -9.700 -6.553 -3.162 1.00 0.00 C ATOM 1378 CG HIS A 92 -10.463 -6.117 -1.939 1.00 0.00 C ATOM 1379 ND1 HIS A 92 -9.839 -5.469 -0.877 1.00 0.00 N ATOM 1380 CD2 HIS A 92 -11.789 -6.224 -1.594 1.00 0.00 C ATOM 1381 CE1 HIS A 92 -10.792 -5.225 0.047 1.00 0.00 C ATOM 1382 NE2 HIS A 92 -11.983 -5.664 -0.345 1.00 0.00 N ATOM 0 H HIS A 92 -9.041 -7.942 -1.153 1.00 0.00 H new ATOM 0 HA HIS A 92 -10.545 -8.491 -3.567 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -8.701 -6.117 -3.150 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -10.198 -6.185 -4.059 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -12.559 -6.675 -2.203 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -10.609 -4.733 0.991 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -12.861 -5.601 0.170 1.00 0.00 H new ATOM 1390 N ARG A 93 -8.196 -9.742 -4.298 1.00 0.00 N ATOM 1391 CA ARG A 93 -7.097 -10.178 -5.205 1.00 0.00 C ATOM 1392 C ARG A 93 -7.673 -10.488 -6.587 1.00 0.00 C ATOM 1393 O ARG A 93 -7.061 -11.166 -7.388 1.00 0.00 O ATOM 1394 CB ARG A 93 -6.432 -11.433 -4.634 1.00 0.00 C ATOM 1395 CG ARG A 93 -5.036 -11.590 -5.238 1.00 0.00 C ATOM 1396 CD ARG A 93 -4.067 -12.086 -4.162 1.00 0.00 C ATOM 1397 NE ARG A 93 -3.184 -13.140 -4.736 1.00 0.00 N ATOM 1398 CZ ARG A 93 -2.355 -12.843 -5.699 1.00 0.00 C ATOM 1399 NH1 ARG A 93 -2.758 -12.872 -6.940 1.00 0.00 N ATOM 1400 NH2 ARG A 93 -1.123 -12.516 -5.420 1.00 0.00 N ATOM 0 H ARG A 93 -8.692 -10.496 -3.822 1.00 0.00 H new ATOM 0 HA ARG A 93 -6.356 -9.383 -5.290 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -6.364 -11.360 -3.549 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -7.037 -12.312 -4.857 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -5.065 -12.295 -6.069 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -4.693 -10.637 -5.640 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -3.466 -11.257 -3.789 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -4.623 -12.485 -3.313 1.00 0.00 H new ATOM 0 HE ARG A 93 -3.228 -14.093 -4.376 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -3.721 -13.127 -7.158 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -2.110 -12.640 -7.692 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -0.809 -12.493 -4.450 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -0.474 -12.284 -6.172 1.00 0.00 H new ATOM 1414 N GLY A 94 -8.848 -9.997 -6.873 1.00 0.00 N ATOM 1415 CA GLY A 94 -9.465 -10.264 -8.203 1.00 0.00 C ATOM 1416 C GLY A 94 -9.460 -8.983 -9.039 1.00 0.00 C ATOM 1417 O GLY A 94 -9.319 -9.020 -10.246 1.00 0.00 O ATOM 0 H GLY A 94 -9.407 -9.422 -6.243 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -8.913 -11.049 -8.720 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -10.486 -10.623 -8.076 1.00 0.00 H new ATOM 1421 N ALA A 95 -9.616 -7.847 -8.411 1.00 0.00 N ATOM 1422 CA ALA A 95 -9.622 -6.568 -9.179 1.00 0.00 C ATOM 1423 C ALA A 95 -8.204 -5.999 -9.241 1.00 0.00 C ATOM 1424 O ALA A 95 -8.004 -4.800 -9.236 1.00 0.00 O ATOM 1425 CB ALA A 95 -10.547 -5.561 -8.493 1.00 0.00 C ATOM 0 H ALA A 95 -9.739 -7.750 -7.403 1.00 0.00 H new ATOM 0 HA ALA A 95 -9.980 -6.758 -10.191 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -10.550 -4.627 -9.056 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -11.559 -5.964 -8.454 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -10.192 -5.373 -7.480 1.00 0.00 H new ATOM 1431 N GLY A 96 -7.222 -6.852 -9.309 1.00 0.00 N ATOM 1432 CA GLY A 96 -5.811 -6.371 -9.382 1.00 0.00 C ATOM 1433 C GLY A 96 -5.606 -5.198 -8.420 1.00 0.00 C ATOM 1434 O GLY A 96 -5.278 -4.101 -8.827 1.00 0.00 O ATOM 0 H GLY A 96 -7.334 -7.866 -9.317 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -5.128 -7.182 -9.130 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -5.576 -6.062 -10.400 1.00 0.00 H new ATOM 1438 N MET A 97 -5.789 -5.419 -7.147 1.00 0.00 N ATOM 1439 CA MET A 97 -5.596 -4.313 -6.167 1.00 0.00 C ATOM 1440 C MET A 97 -4.150 -4.326 -5.666 1.00 0.00 C ATOM 1441 O MET A 97 -3.892 -4.547 -4.500 1.00 0.00 O ATOM 1442 CB MET A 97 -6.546 -4.507 -4.981 1.00 0.00 C ATOM 1443 CG MET A 97 -7.993 -4.381 -5.460 1.00 0.00 C ATOM 1444 SD MET A 97 -8.998 -3.603 -4.170 1.00 0.00 S ATOM 1445 CE MET A 97 -10.612 -4.067 -4.846 1.00 0.00 C ATOM 0 H MET A 97 -6.063 -6.315 -6.744 1.00 0.00 H new ATOM 0 HA MET A 97 -5.808 -3.359 -6.650 1.00 0.00 H new ATOM 0 HB2 MET A 97 -6.385 -5.486 -4.529 1.00 0.00 H new ATOM 0 HB3 MET A 97 -6.340 -3.763 -4.211 1.00 0.00 H new ATOM 0 HG2 MET A 97 -8.033 -3.787 -6.373 1.00 0.00 H new ATOM 0 HG3 MET A 97 -8.393 -5.366 -5.702 1.00 0.00 H new ATOM 0 HE1 MET A 97 -11.289 -4.322 -4.030 1.00 0.00 H new ATOM 0 HE2 MET A 97 -11.024 -3.231 -5.411 1.00 0.00 H new ATOM 0 HE3 MET A 97 -10.497 -4.928 -5.504 1.00 0.00 H new ATOM 1455 N VAL A 98 -3.203 -4.094 -6.537 1.00 0.00 N ATOM 1456 CA VAL A 98 -1.774 -4.097 -6.105 1.00 0.00 C ATOM 1457 C VAL A 98 -1.095 -2.801 -6.553 1.00 0.00 C ATOM 1458 O VAL A 98 -0.646 -2.678 -7.674 1.00 0.00 O ATOM 1459 CB VAL A 98 -1.054 -5.297 -6.724 1.00 0.00 C ATOM 1460 CG1 VAL A 98 -1.251 -5.288 -8.239 1.00 0.00 C ATOM 1461 CG2 VAL A 98 0.441 -5.215 -6.406 1.00 0.00 C ATOM 0 H VAL A 98 -3.357 -3.903 -7.527 1.00 0.00 H new ATOM 0 HA VAL A 98 -1.727 -4.168 -5.018 1.00 0.00 H new ATOM 0 HB VAL A 98 -1.466 -6.218 -6.310 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -0.737 -6.143 -8.678 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -2.315 -5.347 -8.468 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -0.841 -4.367 -8.654 1.00 0.00 H new ATOM 0 HG21 VAL A 98 0.954 -6.070 -6.847 1.00 0.00 H new ATOM 0 HG22 VAL A 98 0.851 -4.293 -6.819 1.00 0.00 H new ATOM 0 HG23 VAL A 98 0.584 -5.224 -5.325 1.00 0.00 H new ATOM 1471 N GLY A 99 -1.016 -1.832 -5.680 1.00 0.00 N ATOM 1472 CA GLY A 99 -0.368 -0.543 -6.049 1.00 0.00 C ATOM 1473 C GLY A 99 1.152 -0.714 -6.047 1.00 0.00 C ATOM 1474 O GLY A 99 1.661 -1.817 -6.049 1.00 0.00 O ATOM 0 H GLY A 99 -1.373 -1.879 -4.726 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -0.707 -0.223 -7.034 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -0.657 0.236 -5.344 1.00 0.00 H new ATOM 1478 N LYS A 100 1.882 0.369 -6.040 1.00 0.00 N ATOM 1479 CA LYS A 100 3.369 0.265 -6.038 1.00 0.00 C ATOM 1480 C LYS A 100 3.978 1.605 -5.619 1.00 0.00 C ATOM 1481 O LYS A 100 3.768 2.618 -6.257 1.00 0.00 O ATOM 1482 CB LYS A 100 3.856 -0.096 -7.443 1.00 0.00 C ATOM 1483 CG LYS A 100 3.846 -1.616 -7.611 1.00 0.00 C ATOM 1484 CD LYS A 100 4.693 -2.004 -8.822 1.00 0.00 C ATOM 1485 CE LYS A 100 3.874 -1.812 -10.100 1.00 0.00 C ATOM 1486 NZ LYS A 100 4.794 -1.715 -11.267 1.00 0.00 N ATOM 0 H LYS A 100 1.513 1.320 -6.036 1.00 0.00 H new ATOM 0 HA LYS A 100 3.676 -0.509 -5.334 1.00 0.00 H new ATOM 0 HB2 LYS A 100 3.214 0.368 -8.192 1.00 0.00 H new ATOM 0 HB3 LYS A 100 4.862 0.292 -7.601 1.00 0.00 H new ATOM 0 HG2 LYS A 100 4.237 -2.094 -6.713 1.00 0.00 H new ATOM 0 HG3 LYS A 100 2.824 -1.971 -7.741 1.00 0.00 H new ATOM 0 HD2 LYS A 100 5.594 -1.392 -8.860 1.00 0.00 H new ATOM 0 HD3 LYS A 100 5.015 -3.042 -8.736 1.00 0.00 H new ATOM 0 HE2 LYS A 100 3.186 -2.647 -10.233 1.00 0.00 H new ATOM 0 HE3 LYS A 100 3.268 -0.909 -10.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 4.239 -1.584 -12.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 5.433 -0.904 -11.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 5.354 -2.588 -11.341 1.00 0.00 H new ATOM 1500 N ILE A 101 4.737 1.621 -4.556 1.00 0.00 N ATOM 1501 CA ILE A 101 5.361 2.898 -4.109 1.00 0.00 C ATOM 1502 C ILE A 101 6.639 3.137 -4.921 1.00 0.00 C ATOM 1503 O ILE A 101 7.415 2.233 -5.159 1.00 0.00 O ATOM 1504 CB ILE A 101 5.683 2.819 -2.596 1.00 0.00 C ATOM 1505 CG1 ILE A 101 4.673 3.676 -1.822 1.00 0.00 C ATOM 1506 CG2 ILE A 101 7.100 3.336 -2.309 1.00 0.00 C ATOM 1507 CD1 ILE A 101 5.160 3.896 -0.381 1.00 0.00 C ATOM 0 H ILE A 101 4.951 0.807 -3.980 1.00 0.00 H new ATOM 0 HA ILE A 101 4.674 3.728 -4.271 1.00 0.00 H new ATOM 0 HB ILE A 101 5.621 1.777 -2.282 1.00 0.00 H new ATOM 0 HG12 ILE A 101 4.542 4.637 -2.320 1.00 0.00 H new ATOM 0 HG13 ILE A 101 3.699 3.186 -1.814 1.00 0.00 H new ATOM 0 HG21 ILE A 101 7.302 3.270 -1.240 1.00 0.00 H new ATOM 0 HG22 ILE A 101 7.825 2.731 -2.853 1.00 0.00 H new ATOM 0 HG23 ILE A 101 7.180 4.375 -2.630 1.00 0.00 H new ATOM 0 HD11 ILE A 101 4.435 4.506 0.159 1.00 0.00 H new ATOM 0 HD12 ILE A 101 5.267 2.933 0.118 1.00 0.00 H new ATOM 0 HD13 ILE A 101 6.123 4.406 -0.396 1.00 0.00 H new ATOM 1519 N THR A 102 6.871 4.353 -5.325 1.00 0.00 N ATOM 1520 CA THR A 102 8.106 4.659 -6.095 1.00 0.00 C ATOM 1521 C THR A 102 8.942 5.657 -5.295 1.00 0.00 C ATOM 1522 O THR A 102 8.742 6.853 -5.373 1.00 0.00 O ATOM 1523 CB THR A 102 7.739 5.264 -7.452 1.00 0.00 C ATOM 1524 OG1 THR A 102 6.699 4.500 -8.045 1.00 0.00 O ATOM 1525 CG2 THR A 102 8.969 5.251 -8.361 1.00 0.00 C ATOM 0 H THR A 102 6.257 5.150 -5.155 1.00 0.00 H new ATOM 0 HA THR A 102 8.674 3.744 -6.263 1.00 0.00 H new ATOM 0 HB THR A 102 7.399 6.291 -7.316 1.00 0.00 H new ATOM 0 HG1 THR A 102 6.462 4.888 -8.913 1.00 0.00 H new ATOM 0 HG21 THR A 102 8.711 5.681 -9.329 1.00 0.00 H new ATOM 0 HG22 THR A 102 9.766 5.838 -7.904 1.00 0.00 H new ATOM 0 HG23 THR A 102 9.308 4.224 -8.499 1.00 0.00 H new ATOM 1533 N VAL A 103 9.869 5.176 -4.514 1.00 0.00 N ATOM 1534 CA VAL A 103 10.705 6.098 -3.698 1.00 0.00 C ATOM 1535 C VAL A 103 12.048 6.323 -4.393 1.00 0.00 C ATOM 1536 O VAL A 103 12.810 5.403 -4.608 1.00 0.00 O ATOM 1537 CB VAL A 103 10.938 5.480 -2.317 1.00 0.00 C ATOM 1538 CG1 VAL A 103 11.198 6.589 -1.298 1.00 0.00 C ATOM 1539 CG2 VAL A 103 9.697 4.687 -1.898 1.00 0.00 C ATOM 0 H VAL A 103 10.083 4.185 -4.406 1.00 0.00 H new ATOM 0 HA VAL A 103 10.193 7.054 -3.588 1.00 0.00 H new ATOM 0 HB VAL A 103 11.800 4.815 -2.359 1.00 0.00 H new ATOM 0 HG11 VAL A 103 11.364 6.148 -0.315 1.00 0.00 H new ATOM 0 HG12 VAL A 103 12.080 7.156 -1.595 1.00 0.00 H new ATOM 0 HG13 VAL A 103 10.336 7.254 -1.257 1.00 0.00 H new ATOM 0 HG21 VAL A 103 9.862 4.246 -0.915 1.00 0.00 H new ATOM 0 HG22 VAL A 103 8.836 5.354 -1.857 1.00 0.00 H new ATOM 0 HG23 VAL A 103 9.509 3.895 -2.623 1.00 0.00 H new ATOM 1549 N ALA A 104 12.340 7.543 -4.751 1.00 0.00 N ATOM 1550 CA ALA A 104 13.630 7.832 -5.436 1.00 0.00 C ATOM 1551 C ALA A 104 14.683 8.234 -4.401 1.00 0.00 C ATOM 1552 O ALA A 104 14.381 8.856 -3.403 1.00 0.00 O ATOM 1553 CB ALA A 104 13.431 8.976 -6.431 1.00 0.00 C ATOM 0 H ALA A 104 11.739 8.353 -4.598 1.00 0.00 H new ATOM 0 HA ALA A 104 13.966 6.941 -5.966 1.00 0.00 H new ATOM 0 HB1 ALA A 104 14.374 9.189 -6.934 1.00 0.00 H new ATOM 0 HB2 ALA A 104 12.683 8.689 -7.170 1.00 0.00 H new ATOM 0 HB3 ALA A 104 13.094 9.866 -5.900 1.00 0.00 H new ATOM 1559 N GLY A 105 15.920 7.885 -4.635 1.00 0.00 N ATOM 1560 CA GLY A 105 16.993 8.249 -3.666 1.00 0.00 C ATOM 1561 C GLY A 105 17.256 7.073 -2.724 1.00 0.00 C ATOM 1562 O GLY A 105 16.577 6.984 -1.715 1.00 0.00 O ATOM 1563 OXT GLY A 105 18.134 6.281 -3.027 1.00 0.00 O ATOM 0 H GLY A 105 16.233 7.364 -5.454 1.00 0.00 H new ATOM 0 HA2 GLY A 105 17.906 8.511 -4.201 1.00 0.00 H new ATOM 0 HA3 GLY A 105 16.696 9.127 -3.093 1.00 0.00 H new TER 1567 GLY A 105 HETATM 1568 CU CU A 106 -8.498 -3.960 -1.289 1.00 0.00 CU