USER MOD reduce.3.24.130724 H: found=0, std=0, add=683, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 684 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 22 TYR OH : rot -24:sc= 1.5 USER MOD Set 1.2: A 102 HIS :FLIP no HD1:sc= 0.016 F(o=0.19,f=2) USER MOD Set 1.3: A 105 SER OG : rot -148:sc= 0.454 USER MOD Set 2.1: A 89 HIS : no HD1:sc= 1.05 K(o=2.4,f=-4.5!) USER MOD Set 2.2: A 119 THR OG1 : rot 79:sc= 1.32 USER MOD Set 3.1: A 64 MET CE :methyl -164:sc= 0 (180deg=-0.0367) USER MOD Set 3.2: A 67 GLN : amide:sc= 1.11 K(o=1.1,f=-0.1) USER MOD Set 4.1: A 28 HIS : no HD1:sc= 1.07 K(o=2.3,f=-4.7!) USER MOD Set 4.2: A 40 SER OG : rot -94:sc= 1.26 USER MOD Single : A 21 LYS NZ :NH3+ 164:sc= 2.26 (180deg=1.81) USER MOD Single : A 29 SER OG : rot 124:sc= 0.979 USER MOD Single : A 41 LYS NZ :NH3+ 149:sc= 1.55 (180deg=0.906) USER MOD Single : A 47 TYR OH : rot -16:sc= 1.29 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 HIS : no HD1:sc= 1.09 K(o=1.1,f=-4.4!) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ -152:sc= 0.0944 (180deg=0) USER MOD Single : A 61 SER OG : rot -76:sc= 0.453 USER MOD Single : A 65 GLN : amide:sc= 1.23 K(o=1.2,f=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 CYS SG : rot 140:sc= -0.162 USER MOD Single : A 71 CYS SG : rot 67:sc= -1.63 USER MOD Single : A 73 CYS SG : rot 133:sc= 0.798 USER MOD Single : A 91 TYR OH : rot 180:sc= 0.139 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 100:sc= 0.405 USER MOD Single : A 95 MET CE :methyl -172:sc= 0 (180deg=-0.0659) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 GLN : amide:sc= -0.281 X(o=-0.28,f=-0.28) USER MOD Single : A 106 THR OG1 : rot -147:sc= 0.0795 USER MOD Single : A 108 LYS NZ :NH3+ 145:sc= 1.45 (180deg=-0.18) USER MOD Single : A 110 LYS NZ :NH3+ -172:sc= 1.31 (180deg=1.2) USER MOD ----------------------------------------------------------------- ATOM 46 N ALA A 4 -6.647 -7.973 16.031 1.00 0.00 N ATOM 47 CA ALA A 4 -6.459 -8.473 14.679 1.00 0.00 C ATOM 48 C ALA A 4 -5.173 -9.314 14.700 1.00 0.00 C ATOM 49 O ALA A 4 -4.535 -9.450 15.748 1.00 0.00 O ATOM 50 CB ALA A 4 -6.329 -7.290 13.707 1.00 0.00 C ATOM 0 HA ALA A 4 -7.304 -9.077 14.347 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -6.188 -7.666 12.694 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -7.235 -6.685 13.747 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -5.472 -6.679 13.990 1.00 0.00 H new ATOM 56 N ASP A 5 -4.759 -9.833 13.546 1.00 0.00 N ATOM 57 CA ASP A 5 -3.460 -10.472 13.354 1.00 0.00 C ATOM 58 C ASP A 5 -2.972 -10.073 11.968 1.00 0.00 C ATOM 59 O ASP A 5 -3.778 -9.956 11.042 1.00 0.00 O ATOM 60 CB ASP A 5 -3.572 -11.997 13.466 1.00 0.00 C ATOM 61 CG ASP A 5 -2.209 -12.658 13.205 1.00 0.00 C ATOM 62 OD1 ASP A 5 -1.865 -12.890 12.026 1.00 0.00 O ATOM 63 OD2 ASP A 5 -1.475 -12.928 14.181 1.00 0.00 O ATOM 0 H ASP A 5 -5.330 -9.820 12.701 1.00 0.00 H new ATOM 0 HA ASP A 5 -2.759 -10.150 14.124 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -3.931 -12.269 14.459 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -4.305 -12.367 12.750 1.00 0.00 H new ATOM 68 N LEU A 6 -1.667 -9.837 11.824 1.00 0.00 N ATOM 69 CA LEU A 6 -1.075 -9.274 10.618 1.00 0.00 C ATOM 70 C LEU A 6 -1.372 -10.107 9.370 1.00 0.00 C ATOM 71 O LEU A 6 -1.514 -9.534 8.288 1.00 0.00 O ATOM 72 CB LEU A 6 0.445 -9.125 10.807 1.00 0.00 C ATOM 73 CG LEU A 6 0.888 -8.190 11.952 1.00 0.00 C ATOM 74 CD1 LEU A 6 2.415 -8.098 11.986 1.00 0.00 C ATOM 75 CD2 LEU A 6 0.307 -6.780 11.810 1.00 0.00 C ATOM 0 H LEU A 6 -0.985 -10.036 12.555 1.00 0.00 H new ATOM 0 HA LEU A 6 -1.529 -8.296 10.460 1.00 0.00 H new ATOM 0 HB2 LEU A 6 0.869 -10.113 10.985 1.00 0.00 H new ATOM 0 HB3 LEU A 6 0.874 -8.757 9.875 1.00 0.00 H new ATOM 0 HG LEU A 6 0.509 -8.618 12.880 1.00 0.00 H new ATOM 0 HD11 LEU A 6 2.722 -7.437 12.796 1.00 0.00 H new ATOM 0 HD12 LEU A 6 2.836 -9.090 12.149 1.00 0.00 H new ATOM 0 HD13 LEU A 6 2.777 -7.701 11.037 1.00 0.00 H new ATOM 0 HD21 LEU A 6 0.648 -6.161 12.640 1.00 0.00 H new ATOM 0 HD22 LEU A 6 0.641 -6.342 10.869 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -0.782 -6.832 11.820 1.00 0.00 H new ATOM 87 N ALA A 7 -1.493 -11.433 9.492 1.00 0.00 N ATOM 88 CA ALA A 7 -1.779 -12.305 8.364 1.00 0.00 C ATOM 89 C ALA A 7 -3.202 -12.105 7.826 1.00 0.00 C ATOM 90 O ALA A 7 -3.456 -12.391 6.655 1.00 0.00 O ATOM 91 CB ALA A 7 -1.570 -13.768 8.770 1.00 0.00 C ATOM 0 H ALA A 7 -1.394 -11.926 10.380 1.00 0.00 H new ATOM 0 HA ALA A 7 -1.088 -12.044 7.562 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -1.786 -14.416 7.920 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -0.537 -13.914 9.084 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -2.239 -14.016 9.594 1.00 0.00 H new ATOM 97 N LEU A 8 -4.133 -11.634 8.664 1.00 0.00 N ATOM 98 CA LEU A 8 -5.535 -11.455 8.290 1.00 0.00 C ATOM 99 C LEU A 8 -5.737 -10.156 7.508 1.00 0.00 C ATOM 100 O LEU A 8 -6.707 -10.050 6.757 1.00 0.00 O ATOM 101 CB LEU A 8 -6.433 -11.432 9.543 1.00 0.00 C ATOM 102 CG LEU A 8 -6.390 -12.711 10.402 1.00 0.00 C ATOM 103 CD1 LEU A 8 -7.237 -12.514 11.664 1.00 0.00 C ATOM 104 CD2 LEU A 8 -6.893 -13.944 9.641 1.00 0.00 C ATOM 0 H LEU A 8 -3.930 -11.365 9.627 1.00 0.00 H new ATOM 0 HA LEU A 8 -5.813 -12.298 7.657 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -6.141 -10.586 10.165 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -7.462 -11.258 9.230 1.00 0.00 H new ATOM 0 HG LEU A 8 -5.347 -12.888 10.666 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -7.205 -13.420 12.269 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -6.841 -11.678 12.241 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -8.268 -12.304 11.381 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -6.842 -14.818 10.290 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -7.925 -13.783 9.329 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -6.270 -14.108 8.762 1.00 0.00 H new ATOM 116 N ILE A 9 -4.859 -9.163 7.690 1.00 0.00 N ATOM 117 CA ILE A 9 -5.004 -7.849 7.068 1.00 0.00 C ATOM 118 C ILE A 9 -4.825 -8.023 5.550 1.00 0.00 C ATOM 119 O ILE A 9 -3.802 -8.594 5.145 1.00 0.00 O ATOM 120 CB ILE A 9 -3.985 -6.835 7.642 1.00 0.00 C ATOM 121 CG1 ILE A 9 -4.008 -6.822 9.189 1.00 0.00 C ATOM 122 CG2 ILE A 9 -4.272 -5.425 7.088 1.00 0.00 C ATOM 123 CD1 ILE A 9 -2.957 -5.911 9.825 1.00 0.00 C ATOM 0 H ILE A 9 -4.028 -9.252 8.274 1.00 0.00 H new ATOM 0 HA ILE A 9 -5.993 -7.445 7.283 1.00 0.00 H new ATOM 0 HB ILE A 9 -2.988 -7.146 7.329 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -4.996 -6.506 9.524 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -3.858 -7.839 9.552 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -3.550 -4.719 7.498 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -4.191 -5.438 6.001 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -5.279 -5.120 7.373 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -3.042 -5.960 10.911 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -1.962 -6.238 9.523 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -3.117 -4.885 9.495 1.00 0.00 H new ATOM 135 N PRO A 10 -5.760 -7.520 4.716 1.00 0.00 N ATOM 136 CA PRO A 10 -5.610 -7.462 3.267 1.00 0.00 C ATOM 137 C PRO A 10 -4.244 -6.910 2.872 1.00 0.00 C ATOM 138 O PRO A 10 -3.852 -5.832 3.326 1.00 0.00 O ATOM 139 CB PRO A 10 -6.739 -6.553 2.773 1.00 0.00 C ATOM 140 CG PRO A 10 -7.837 -6.777 3.807 1.00 0.00 C ATOM 141 CD PRO A 10 -7.040 -6.937 5.100 1.00 0.00 C ATOM 0 HA PRO A 10 -5.670 -8.454 2.820 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -6.429 -5.509 2.734 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -7.067 -6.826 1.770 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -8.527 -5.935 3.856 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -8.431 -7.663 3.583 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -6.898 -5.975 5.592 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -7.566 -7.581 5.805 1.00 0.00 H new ATOM 149 N ASP A 11 -3.515 -7.636 2.027 1.00 0.00 N ATOM 150 CA ASP A 11 -2.117 -7.320 1.739 1.00 0.00 C ATOM 151 C ASP A 11 -2.002 -6.203 0.698 1.00 0.00 C ATOM 152 O ASP A 11 -1.163 -5.308 0.816 1.00 0.00 O ATOM 153 CB ASP A 11 -1.401 -8.597 1.285 1.00 0.00 C ATOM 154 CG ASP A 11 0.094 -8.505 1.578 1.00 0.00 C ATOM 155 OD1 ASP A 11 0.457 -8.402 2.770 1.00 0.00 O ATOM 156 OD2 ASP A 11 0.916 -8.566 0.639 1.00 0.00 O ATOM 0 H ASP A 11 -3.871 -8.451 1.528 1.00 0.00 H new ATOM 0 HA ASP A 11 -1.636 -6.949 2.644 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -1.825 -9.461 1.797 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -1.560 -8.750 0.217 1.00 0.00 H new ATOM 161 N VAL A 12 -2.939 -6.168 -0.253 1.00 0.00 N ATOM 162 CA VAL A 12 -3.086 -5.133 -1.271 1.00 0.00 C ATOM 163 C VAL A 12 -4.586 -4.871 -1.382 1.00 0.00 C ATOM 164 O VAL A 12 -5.366 -5.823 -1.478 1.00 0.00 O ATOM 165 CB VAL A 12 -2.505 -5.614 -2.618 1.00 0.00 C ATOM 166 CG1 VAL A 12 -2.613 -4.546 -3.719 1.00 0.00 C ATOM 167 CG2 VAL A 12 -1.041 -6.047 -2.507 1.00 0.00 C ATOM 0 H VAL A 12 -3.648 -6.897 -0.335 1.00 0.00 H new ATOM 0 HA VAL A 12 -2.545 -4.224 -1.006 1.00 0.00 H new ATOM 0 HB VAL A 12 -3.113 -6.476 -2.891 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -2.190 -4.935 -4.646 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -3.661 -4.291 -3.877 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.064 -3.654 -3.416 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -0.684 -6.376 -3.483 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -0.438 -5.206 -2.164 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -0.957 -6.868 -1.795 1.00 0.00 H new ATOM 177 N ASP A 13 -4.994 -3.603 -1.399 1.00 0.00 N ATOM 178 CA ASP A 13 -6.368 -3.212 -1.694 1.00 0.00 C ATOM 179 C ASP A 13 -6.329 -1.860 -2.393 1.00 0.00 C ATOM 180 O ASP A 13 -5.595 -0.963 -1.971 1.00 0.00 O ATOM 181 CB ASP A 13 -7.225 -3.129 -0.426 1.00 0.00 C ATOM 182 CG ASP A 13 -8.669 -2.756 -0.796 1.00 0.00 C ATOM 183 OD1 ASP A 13 -9.424 -3.649 -1.241 1.00 0.00 O ATOM 184 OD2 ASP A 13 -9.048 -1.574 -0.648 1.00 0.00 O ATOM 0 H ASP A 13 -4.376 -2.815 -1.207 1.00 0.00 H new ATOM 0 HA ASP A 13 -6.826 -3.967 -2.333 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -7.210 -4.085 0.097 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -6.811 -2.386 0.255 1.00 0.00 H new ATOM 189 N ILE A 14 -7.086 -1.753 -3.481 1.00 0.00 N ATOM 190 CA ILE A 14 -7.197 -0.601 -4.364 1.00 0.00 C ATOM 191 C ILE A 14 -8.643 -0.601 -4.885 1.00 0.00 C ATOM 192 O ILE A 14 -9.291 -1.653 -4.906 1.00 0.00 O ATOM 193 CB ILE A 14 -6.162 -0.683 -5.522 1.00 0.00 C ATOM 194 CG1 ILE A 14 -6.275 -1.999 -6.334 1.00 0.00 C ATOM 195 CG2 ILE A 14 -4.726 -0.500 -4.990 1.00 0.00 C ATOM 196 CD1 ILE A 14 -5.402 -2.056 -7.594 1.00 0.00 C ATOM 0 H ILE A 14 -7.679 -2.524 -3.788 1.00 0.00 H new ATOM 0 HA ILE A 14 -6.978 0.329 -3.839 1.00 0.00 H new ATOM 0 HB ILE A 14 -6.395 0.134 -6.205 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -6.007 -2.833 -5.686 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -7.316 -2.142 -6.624 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -4.020 -0.561 -5.819 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -4.637 0.474 -4.509 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -4.504 -1.283 -4.266 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -5.548 -3.013 -8.095 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -5.683 -1.247 -8.268 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -4.354 -1.949 -7.315 1.00 0.00 H new ATOM 266 N PHE A 20 -3.434 6.467 -9.964 1.00 0.00 N ATOM 267 CA PHE A 20 -3.866 6.927 -8.644 1.00 0.00 C ATOM 268 C PHE A 20 -2.714 6.833 -7.642 1.00 0.00 C ATOM 269 O PHE A 20 -1.815 6.004 -7.791 1.00 0.00 O ATOM 270 CB PHE A 20 -5.068 6.109 -8.147 1.00 0.00 C ATOM 271 CG PHE A 20 -4.864 4.603 -8.155 1.00 0.00 C ATOM 272 CD1 PHE A 20 -5.143 3.854 -9.317 1.00 0.00 C ATOM 273 CD2 PHE A 20 -4.392 3.949 -7.003 1.00 0.00 C ATOM 274 CE1 PHE A 20 -4.954 2.460 -9.321 1.00 0.00 C ATOM 275 CE2 PHE A 20 -4.205 2.557 -7.007 1.00 0.00 C ATOM 276 CZ PHE A 20 -4.483 1.812 -8.166 1.00 0.00 C ATOM 0 HA PHE A 20 -4.171 7.970 -8.732 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -5.308 6.423 -7.131 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -5.932 6.347 -8.767 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -5.502 4.352 -10.206 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -4.173 4.519 -6.112 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -5.171 1.888 -10.211 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -3.847 2.058 -6.118 1.00 0.00 H new ATOM 0 HZ PHE A 20 -4.335 0.742 -8.169 1.00 0.00 H new ATOM 286 N LYS A 21 -2.733 7.693 -6.620 1.00 0.00 N ATOM 287 CA LYS A 21 -1.707 7.735 -5.577 1.00 0.00 C ATOM 288 C LYS A 21 -1.891 6.543 -4.637 1.00 0.00 C ATOM 289 O LYS A 21 -3.011 6.062 -4.448 1.00 0.00 O ATOM 290 CB LYS A 21 -1.807 9.063 -4.803 1.00 0.00 C ATOM 291 CG LYS A 21 -1.110 10.263 -5.472 1.00 0.00 C ATOM 292 CD LYS A 21 -1.620 10.608 -6.881 1.00 0.00 C ATOM 293 CE LYS A 21 -1.019 11.924 -7.397 1.00 0.00 C ATOM 294 NZ LYS A 21 -1.734 13.114 -6.881 1.00 0.00 N ATOM 0 H LYS A 21 -3.470 8.387 -6.493 1.00 0.00 H new ATOM 0 HA LYS A 21 -0.717 7.675 -6.029 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -2.860 9.306 -4.664 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -1.379 8.921 -3.811 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -1.233 11.138 -4.833 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -0.041 10.058 -5.529 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -1.368 9.799 -7.567 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -2.707 10.686 -6.865 1.00 0.00 H new ATOM 0 HE2 LYS A 21 0.030 11.980 -7.106 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -1.048 11.931 -8.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -1.148 13.961 -7.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -2.635 13.225 -7.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -1.922 12.993 -5.865 1.00 0.00 H new ATOM 308 N TYR A 22 -0.801 6.087 -4.021 1.00 0.00 N ATOM 309 CA TYR A 22 -0.787 4.947 -3.114 1.00 0.00 C ATOM 310 C TYR A 22 0.293 5.172 -2.039 1.00 0.00 C ATOM 311 O TYR A 22 1.216 5.967 -2.244 1.00 0.00 O ATOM 312 CB TYR A 22 -0.569 3.650 -3.929 1.00 0.00 C ATOM 313 CG TYR A 22 0.820 3.077 -3.787 1.00 0.00 C ATOM 314 CD1 TYR A 22 1.887 3.631 -4.511 1.00 0.00 C ATOM 315 CD2 TYR A 22 1.059 2.120 -2.786 1.00 0.00 C ATOM 316 CE1 TYR A 22 3.205 3.281 -4.185 1.00 0.00 C ATOM 317 CE2 TYR A 22 2.372 1.767 -2.450 1.00 0.00 C ATOM 318 CZ TYR A 22 3.448 2.374 -3.131 1.00 0.00 C ATOM 319 OH TYR A 22 4.722 2.109 -2.752 1.00 0.00 O ATOM 0 H TYR A 22 0.118 6.513 -4.144 1.00 0.00 H new ATOM 0 HA TYR A 22 -1.741 4.844 -2.597 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -1.296 2.903 -3.610 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -0.763 3.855 -4.982 1.00 0.00 H new ATOM 0 HD1 TYR A 22 1.694 4.324 -5.316 1.00 0.00 H new ATOM 0 HD2 TYR A 22 0.229 1.656 -2.275 1.00 0.00 H new ATOM 0 HE1 TYR A 22 4.031 3.704 -4.738 1.00 0.00 H new ATOM 0 HE2 TYR A 22 2.559 1.037 -1.677 1.00 0.00 H new ATOM 0 HH TYR A 22 5.330 2.292 -3.498 1.00 0.00 H new ATOM 329 N VAL A 23 0.213 4.455 -0.916 1.00 0.00 N ATOM 330 CA VAL A 23 1.231 4.447 0.133 1.00 0.00 C ATOM 331 C VAL A 23 1.575 3.011 0.519 1.00 0.00 C ATOM 332 O VAL A 23 0.752 2.096 0.396 1.00 0.00 O ATOM 333 CB VAL A 23 0.807 5.276 1.365 1.00 0.00 C ATOM 334 CG1 VAL A 23 0.805 6.776 1.049 1.00 0.00 C ATOM 335 CG2 VAL A 23 -0.554 4.847 1.934 1.00 0.00 C ATOM 0 H VAL A 23 -0.581 3.850 -0.707 1.00 0.00 H new ATOM 0 HA VAL A 23 2.125 4.925 -0.267 1.00 0.00 H new ATOM 0 HB VAL A 23 1.552 5.078 2.136 1.00 0.00 H new ATOM 0 HG11 VAL A 23 0.502 7.334 1.935 1.00 0.00 H new ATOM 0 HG12 VAL A 23 1.806 7.086 0.749 1.00 0.00 H new ATOM 0 HG13 VAL A 23 0.105 6.976 0.238 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -0.798 5.465 2.798 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -1.322 4.970 1.171 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -0.508 3.801 2.238 1.00 0.00 H new ATOM 345 N LEU A 24 2.801 2.841 1.016 1.00 0.00 N ATOM 346 CA LEU A 24 3.341 1.584 1.502 1.00 0.00 C ATOM 347 C LEU A 24 3.403 1.759 3.011 1.00 0.00 C ATOM 348 O LEU A 24 4.128 2.634 3.492 1.00 0.00 O ATOM 349 CB LEU A 24 4.741 1.372 0.893 1.00 0.00 C ATOM 350 CG LEU A 24 5.306 -0.060 0.924 1.00 0.00 C ATOM 351 CD1 LEU A 24 5.350 -0.672 2.325 1.00 0.00 C ATOM 352 CD2 LEU A 24 4.527 -0.988 -0.010 1.00 0.00 C ATOM 0 H LEU A 24 3.467 3.610 1.091 1.00 0.00 H new ATOM 0 HA LEU A 24 2.745 0.713 1.231 1.00 0.00 H new ATOM 0 HB2 LEU A 24 4.713 1.703 -0.145 1.00 0.00 H new ATOM 0 HB3 LEU A 24 5.441 2.024 1.416 1.00 0.00 H new ATOM 0 HG LEU A 24 6.335 0.033 0.577 1.00 0.00 H new ATOM 0 HD11 LEU A 24 5.759 -1.681 2.269 1.00 0.00 H new ATOM 0 HD12 LEU A 24 5.981 -0.060 2.970 1.00 0.00 H new ATOM 0 HD13 LEU A 24 4.341 -0.712 2.736 1.00 0.00 H new ATOM 0 HD21 LEU A 24 4.952 -1.991 0.036 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.482 -1.022 0.299 1.00 0.00 H new ATOM 0 HD23 LEU A 24 4.591 -0.613 -1.032 1.00 0.00 H new ATOM 364 N ILE A 25 2.628 0.982 3.762 1.00 0.00 N ATOM 365 CA ILE A 25 2.492 1.163 5.201 1.00 0.00 C ATOM 366 C ILE A 25 2.972 -0.117 5.868 1.00 0.00 C ATOM 367 O ILE A 25 2.507 -1.207 5.542 1.00 0.00 O ATOM 368 CB ILE A 25 1.043 1.580 5.557 1.00 0.00 C ATOM 369 CG1 ILE A 25 0.822 3.052 5.138 1.00 0.00 C ATOM 370 CG2 ILE A 25 0.739 1.404 7.056 1.00 0.00 C ATOM 371 CD1 ILE A 25 -0.616 3.555 5.309 1.00 0.00 C ATOM 0 H ILE A 25 2.077 0.209 3.388 1.00 0.00 H new ATOM 0 HA ILE A 25 3.109 1.980 5.576 1.00 0.00 H new ATOM 0 HB ILE A 25 0.360 0.927 5.014 1.00 0.00 H new ATOM 0 HG12 ILE A 25 1.487 3.687 5.724 1.00 0.00 H new ATOM 0 HG13 ILE A 25 1.111 3.166 4.093 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -0.288 1.709 7.257 1.00 0.00 H new ATOM 0 HG22 ILE A 25 0.868 0.358 7.333 1.00 0.00 H new ATOM 0 HG23 ILE A 25 1.422 2.021 7.641 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -0.678 4.596 4.991 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -1.288 2.949 4.701 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -0.906 3.478 6.357 1.00 0.00 H new ATOM 383 N ARG A 26 3.938 0.021 6.774 1.00 0.00 N ATOM 384 CA ARG A 26 4.360 -1.044 7.666 1.00 0.00 C ATOM 385 C ARG A 26 3.332 -1.125 8.785 1.00 0.00 C ATOM 386 O ARG A 26 2.784 -0.099 9.183 1.00 0.00 O ATOM 387 CB ARG A 26 5.762 -0.728 8.206 1.00 0.00 C ATOM 388 CG ARG A 26 6.278 -1.793 9.190 1.00 0.00 C ATOM 389 CD ARG A 26 7.799 -1.722 9.364 1.00 0.00 C ATOM 390 NE ARG A 26 8.475 -2.305 8.197 1.00 0.00 N ATOM 391 CZ ARG A 26 9.728 -2.106 7.785 1.00 0.00 C ATOM 392 NH1 ARG A 26 10.545 -1.261 8.411 1.00 0.00 N ATOM 393 NH2 ARG A 26 10.128 -2.790 6.723 1.00 0.00 N ATOM 0 H ARG A 26 4.454 0.891 6.907 1.00 0.00 H new ATOM 0 HA ARG A 26 4.417 -2.004 7.154 1.00 0.00 H new ATOM 0 HB2 ARG A 26 6.457 -0.645 7.371 1.00 0.00 H new ATOM 0 HB3 ARG A 26 5.744 0.241 8.704 1.00 0.00 H new ATOM 0 HG2 ARG A 26 5.795 -1.657 10.158 1.00 0.00 H new ATOM 0 HG3 ARG A 26 6.000 -2.784 8.831 1.00 0.00 H new ATOM 0 HD2 ARG A 26 8.109 -0.685 9.491 1.00 0.00 H new ATOM 0 HD3 ARG A 26 8.094 -2.256 10.267 1.00 0.00 H new ATOM 0 HE ARG A 26 7.916 -2.942 7.630 1.00 0.00 H new ATOM 0 HH11 ARG A 26 10.217 -0.746 9.228 1.00 0.00 H new ATOM 0 HH12 ARG A 26 11.498 -1.129 8.073 1.00 0.00 H new ATOM 0 HH21 ARG A 26 9.487 -3.434 6.260 1.00 0.00 H new ATOM 0 HH22 ARG A 26 11.077 -2.673 6.369 1.00 0.00 H new ATOM 407 N VAL A 27 3.130 -2.322 9.315 1.00 0.00 N ATOM 408 CA VAL A 27 2.193 -2.651 10.372 1.00 0.00 C ATOM 409 C VAL A 27 2.978 -3.522 11.361 1.00 0.00 C ATOM 410 O VAL A 27 3.856 -4.276 10.933 1.00 0.00 O ATOM 411 CB VAL A 27 0.984 -3.413 9.774 1.00 0.00 C ATOM 412 CG1 VAL A 27 -0.180 -3.443 10.770 1.00 0.00 C ATOM 413 CG2 VAL A 27 0.456 -2.846 8.441 1.00 0.00 C ATOM 0 H VAL A 27 3.650 -3.139 8.996 1.00 0.00 H new ATOM 0 HA VAL A 27 1.793 -1.768 10.870 1.00 0.00 H new ATOM 0 HB VAL A 27 1.367 -4.413 9.570 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -1.020 -3.982 10.332 1.00 0.00 H new ATOM 0 HG12 VAL A 27 0.136 -3.945 11.684 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.486 -2.423 11.003 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.389 -3.444 8.101 1.00 0.00 H new ATOM 0 HG22 VAL A 27 0.136 -1.814 8.586 1.00 0.00 H new ATOM 0 HG23 VAL A 27 1.248 -2.878 7.693 1.00 0.00 H new ATOM 423 N HIS A 28 2.667 -3.455 12.655 1.00 0.00 N ATOM 424 CA HIS A 28 3.349 -4.196 13.718 1.00 0.00 C ATOM 425 C HIS A 28 2.309 -4.916 14.583 1.00 0.00 C ATOM 426 O HIS A 28 1.165 -4.454 14.669 1.00 0.00 O ATOM 427 CB HIS A 28 4.136 -3.218 14.604 1.00 0.00 C ATOM 428 CG HIS A 28 5.069 -2.292 13.862 1.00 0.00 C ATOM 429 ND1 HIS A 28 6.280 -2.628 13.305 1.00 0.00 N ATOM 430 CD2 HIS A 28 4.896 -0.947 13.669 1.00 0.00 C ATOM 431 CE1 HIS A 28 6.835 -1.508 12.814 1.00 0.00 C ATOM 432 NE2 HIS A 28 6.022 -0.451 12.999 1.00 0.00 N ATOM 0 H HIS A 28 1.911 -2.866 13.004 1.00 0.00 H new ATOM 0 HA HIS A 28 4.030 -4.920 13.271 1.00 0.00 H new ATOM 0 HB2 HIS A 28 3.427 -2.616 15.172 1.00 0.00 H new ATOM 0 HB3 HIS A 28 4.717 -3.792 15.326 1.00 0.00 H new ATOM 0 HD2 HIS A 28 4.039 -0.368 13.980 1.00 0.00 H new ATOM 0 HE1 HIS A 28 7.802 -1.462 12.336 1.00 0.00 H new ATOM 0 HE2 HIS A 28 6.191 0.513 12.711 1.00 0.00 H new ATOM 440 N SER A 29 2.704 -5.994 15.270 1.00 0.00 N ATOM 441 CA SER A 29 1.873 -6.792 16.181 1.00 0.00 C ATOM 442 C SER A 29 1.469 -6.066 17.490 1.00 0.00 C ATOM 443 O SER A 29 1.517 -6.649 18.573 1.00 0.00 O ATOM 444 CB SER A 29 2.591 -8.110 16.503 1.00 0.00 C ATOM 445 OG SER A 29 2.984 -8.819 15.343 1.00 0.00 O ATOM 0 H SER A 29 3.657 -6.351 15.203 1.00 0.00 H new ATOM 0 HA SER A 29 0.936 -6.977 15.655 1.00 0.00 H new ATOM 0 HB2 SER A 29 3.471 -7.900 17.110 1.00 0.00 H new ATOM 0 HB3 SER A 29 1.933 -8.739 17.102 1.00 0.00 H new ATOM 0 HG SER A 29 3.949 -8.986 15.373 1.00 0.00 H new ATOM 451 N ALA A 30 1.047 -4.801 17.419 1.00 0.00 N ATOM 452 CA ALA A 30 0.448 -4.080 18.538 1.00 0.00 C ATOM 453 C ALA A 30 -0.998 -4.470 18.964 1.00 0.00 C ATOM 454 O ALA A 30 -1.395 -3.942 20.006 1.00 0.00 O ATOM 455 CB ALA A 30 0.527 -2.577 18.242 1.00 0.00 C ATOM 0 H ALA A 30 1.114 -4.243 16.568 1.00 0.00 H new ATOM 0 HA ALA A 30 1.038 -4.378 19.405 1.00 0.00 H new ATOM 0 HB1 ALA A 30 0.084 -2.020 19.067 1.00 0.00 H new ATOM 0 HB2 ALA A 30 1.570 -2.284 18.125 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -0.017 -2.358 17.323 1.00 0.00 H new ATOM 461 N PRO A 31 -1.811 -5.304 18.258 1.00 0.00 N ATOM 462 CA PRO A 31 -3.192 -5.623 18.647 1.00 0.00 C ATOM 463 C PRO A 31 -3.427 -5.981 20.119 1.00 0.00 C ATOM 464 O PRO A 31 -2.510 -6.381 20.840 1.00 0.00 O ATOM 465 CB PRO A 31 -3.639 -6.749 17.716 1.00 0.00 C ATOM 466 CG PRO A 31 -2.925 -6.390 16.425 1.00 0.00 C ATOM 467 CD PRO A 31 -1.579 -5.904 16.947 1.00 0.00 C ATOM 0 HA PRO A 31 -3.787 -4.715 18.543 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -3.341 -7.729 18.088 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -4.722 -6.771 17.592 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -2.822 -7.248 15.761 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -3.452 -5.616 15.866 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -0.875 -6.732 17.023 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -1.142 -5.176 16.263 1.00 0.00 H new ATOM 561 N GLU A 39 5.942 -9.259 15.579 1.00 0.00 N ATOM 562 CA GLU A 39 6.265 -9.296 14.165 1.00 0.00 C ATOM 563 C GLU A 39 5.889 -7.950 13.521 1.00 0.00 C ATOM 564 O GLU A 39 5.290 -7.073 14.159 1.00 0.00 O ATOM 565 CB GLU A 39 5.518 -10.467 13.492 1.00 0.00 C ATOM 566 CG GLU A 39 5.768 -11.843 14.134 1.00 0.00 C ATOM 567 CD GLU A 39 7.259 -12.224 14.193 1.00 0.00 C ATOM 568 OE1 GLU A 39 7.893 -12.398 13.128 1.00 0.00 O ATOM 569 OE2 GLU A 39 7.806 -12.389 15.307 1.00 0.00 O ATOM 0 HA GLU A 39 7.335 -9.455 14.030 1.00 0.00 H new ATOM 0 HB2 GLU A 39 4.448 -10.259 13.516 1.00 0.00 H new ATOM 0 HB3 GLU A 39 5.811 -10.512 12.443 1.00 0.00 H new ATOM 0 HG2 GLU A 39 5.359 -11.845 15.144 1.00 0.00 H new ATOM 0 HG3 GLU A 39 5.228 -12.603 13.570 1.00 0.00 H new ATOM 576 N SER A 40 6.207 -7.817 12.232 1.00 0.00 N ATOM 577 CA SER A 40 5.795 -6.705 11.390 1.00 0.00 C ATOM 578 C SER A 40 5.449 -7.238 9.993 1.00 0.00 C ATOM 579 O SER A 40 5.841 -8.348 9.619 1.00 0.00 O ATOM 580 CB SER A 40 6.889 -5.630 11.319 1.00 0.00 C ATOM 581 OG SER A 40 7.347 -5.218 12.600 1.00 0.00 O ATOM 0 H SER A 40 6.775 -8.503 11.736 1.00 0.00 H new ATOM 0 HA SER A 40 4.913 -6.233 11.822 1.00 0.00 H new ATOM 0 HB2 SER A 40 7.732 -6.014 10.744 1.00 0.00 H new ATOM 0 HB3 SER A 40 6.505 -4.764 10.781 1.00 0.00 H new ATOM 0 HG SER A 40 6.853 -4.421 12.883 1.00 0.00 H new ATOM 587 N LYS A 41 4.686 -6.451 9.238 1.00 0.00 N ATOM 588 CA LYS A 41 4.100 -6.768 7.935 1.00 0.00 C ATOM 589 C LYS A 41 4.007 -5.446 7.168 1.00 0.00 C ATOM 590 O LYS A 41 4.200 -4.384 7.759 1.00 0.00 O ATOM 591 CB LYS A 41 2.735 -7.443 8.200 1.00 0.00 C ATOM 592 CG LYS A 41 1.875 -7.872 6.991 1.00 0.00 C ATOM 593 CD LYS A 41 0.584 -7.038 6.905 1.00 0.00 C ATOM 594 CE LYS A 41 -0.316 -7.354 5.698 1.00 0.00 C ATOM 595 NZ LYS A 41 -0.828 -8.746 5.666 1.00 0.00 N ATOM 0 H LYS A 41 4.443 -5.508 9.541 1.00 0.00 H new ATOM 0 HA LYS A 41 4.685 -7.461 7.331 1.00 0.00 H new ATOM 0 HB2 LYS A 41 2.917 -8.329 8.808 1.00 0.00 H new ATOM 0 HB3 LYS A 41 2.139 -6.759 8.804 1.00 0.00 H new ATOM 0 HG2 LYS A 41 2.449 -7.754 6.072 1.00 0.00 H new ATOM 0 HG3 LYS A 41 1.624 -8.929 7.077 1.00 0.00 H new ATOM 0 HD2 LYS A 41 0.009 -7.192 7.818 1.00 0.00 H new ATOM 0 HD3 LYS A 41 0.853 -5.982 6.872 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -1.163 -6.668 5.702 1.00 0.00 H new ATOM 0 HE3 LYS A 41 0.244 -7.164 4.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -1.762 -8.762 5.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -0.169 -9.346 5.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -0.913 -9.107 6.638 1.00 0.00 H new ATOM 609 N GLU A 42 3.699 -5.469 5.877 1.00 0.00 N ATOM 610 CA GLU A 42 3.506 -4.269 5.073 1.00 0.00 C ATOM 611 C GLU A 42 2.226 -4.446 4.261 1.00 0.00 C ATOM 612 O GLU A 42 1.863 -5.577 3.925 1.00 0.00 O ATOM 613 CB GLU A 42 4.708 -4.019 4.142 1.00 0.00 C ATOM 614 CG GLU A 42 5.998 -3.521 4.818 1.00 0.00 C ATOM 615 CD GLU A 42 6.869 -4.593 5.503 1.00 0.00 C ATOM 616 OE1 GLU A 42 6.745 -5.806 5.219 1.00 0.00 O ATOM 617 OE2 GLU A 42 7.751 -4.192 6.296 1.00 0.00 O ATOM 0 H GLU A 42 3.575 -6.334 5.352 1.00 0.00 H new ATOM 0 HA GLU A 42 3.423 -3.400 5.726 1.00 0.00 H new ATOM 0 HB2 GLU A 42 4.933 -4.947 3.616 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.412 -3.289 3.389 1.00 0.00 H new ATOM 0 HG2 GLU A 42 6.605 -3.016 4.066 1.00 0.00 H new ATOM 0 HG3 GLU A 42 5.727 -2.773 5.563 1.00 0.00 H new ATOM 624 N ILE A 43 1.574 -3.337 3.913 1.00 0.00 N ATOM 625 CA ILE A 43 0.359 -3.285 3.109 1.00 0.00 C ATOM 626 C ILE A 43 0.499 -2.203 2.038 1.00 0.00 C ATOM 627 O ILE A 43 1.242 -1.231 2.208 1.00 0.00 O ATOM 628 CB ILE A 43 -0.901 -3.051 3.983 1.00 0.00 C ATOM 629 CG1 ILE A 43 -0.834 -1.781 4.863 1.00 0.00 C ATOM 630 CG2 ILE A 43 -1.193 -4.297 4.825 1.00 0.00 C ATOM 631 CD1 ILE A 43 -2.134 -1.450 5.613 1.00 0.00 C ATOM 0 H ILE A 43 1.894 -2.411 4.198 1.00 0.00 H new ATOM 0 HA ILE A 43 0.227 -4.251 2.622 1.00 0.00 H new ATOM 0 HB ILE A 43 -1.727 -2.873 3.294 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -0.031 -1.902 5.591 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -0.568 -0.932 4.233 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -2.079 -4.124 5.436 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -1.366 -5.148 4.167 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -0.341 -4.506 5.472 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -1.993 -0.545 6.203 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -2.939 -1.293 4.895 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -2.394 -2.277 6.274 1.00 0.00 H new ATOM 643 N VAL A 44 -0.264 -2.368 0.958 1.00 0.00 N ATOM 644 CA VAL A 44 -0.350 -1.446 -0.168 1.00 0.00 C ATOM 645 C VAL A 44 -1.797 -0.954 -0.190 1.00 0.00 C ATOM 646 O VAL A 44 -2.715 -1.774 -0.315 1.00 0.00 O ATOM 647 CB VAL A 44 0.020 -2.204 -1.466 1.00 0.00 C ATOM 648 CG1 VAL A 44 -0.089 -1.338 -2.727 1.00 0.00 C ATOM 649 CG2 VAL A 44 1.436 -2.797 -1.426 1.00 0.00 C ATOM 0 H VAL A 44 -0.864 -3.184 0.841 1.00 0.00 H new ATOM 0 HA VAL A 44 0.334 -0.602 -0.083 1.00 0.00 H new ATOM 0 HB VAL A 44 -0.715 -3.007 -1.517 1.00 0.00 H new ATOM 0 HG11 VAL A 44 0.184 -1.931 -3.600 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -1.113 -0.982 -2.836 1.00 0.00 H new ATOM 0 HG13 VAL A 44 0.585 -0.485 -2.642 1.00 0.00 H new ATOM 0 HG21 VAL A 44 1.639 -3.316 -2.362 1.00 0.00 H new ATOM 0 HG22 VAL A 44 2.162 -1.996 -1.290 1.00 0.00 H new ATOM 0 HG23 VAL A 44 1.513 -3.500 -0.597 1.00 0.00 H new ATOM 659 N ARG A 45 -2.011 0.359 -0.056 1.00 0.00 N ATOM 660 CA ARG A 45 -3.318 1.019 -0.159 1.00 0.00 C ATOM 661 C ARG A 45 -3.159 2.147 -1.171 1.00 0.00 C ATOM 662 O ARG A 45 -2.128 2.820 -1.144 1.00 0.00 O ATOM 663 CB ARG A 45 -3.736 1.645 1.192 1.00 0.00 C ATOM 664 CG ARG A 45 -3.983 0.708 2.387 1.00 0.00 C ATOM 665 CD ARG A 45 -5.147 -0.272 2.225 1.00 0.00 C ATOM 666 NE ARG A 45 -4.668 -1.527 1.644 1.00 0.00 N ATOM 667 CZ ARG A 45 -4.494 -2.691 2.271 1.00 0.00 C ATOM 668 NH1 ARG A 45 -5.015 -2.950 3.466 1.00 0.00 N ATOM 669 NH2 ARG A 45 -3.744 -3.605 1.683 1.00 0.00 N ATOM 0 H ARG A 45 -1.253 1.015 0.134 1.00 0.00 H new ATOM 0 HA ARG A 45 -4.076 0.292 -0.451 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -2.962 2.356 1.482 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -4.648 2.217 1.025 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -3.073 0.137 2.573 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -4.164 1.317 3.273 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -5.610 -0.463 3.193 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -5.914 0.165 1.586 1.00 0.00 H new ATOM 0 HE ARG A 45 -4.442 -1.509 0.649 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -5.575 -2.243 3.942 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -4.855 -3.856 3.907 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -3.318 -3.410 0.777 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -3.590 -4.506 2.135 1.00 0.00 H new ATOM 683 N GLY A 46 -4.154 2.414 -2.015 1.00 0.00 N ATOM 684 CA GLY A 46 -4.126 3.573 -2.897 1.00 0.00 C ATOM 685 C GLY A 46 -5.445 3.749 -3.621 1.00 0.00 C ATOM 686 O GLY A 46 -6.049 2.760 -4.042 1.00 0.00 O ATOM 0 H GLY A 46 -4.992 1.839 -2.105 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -3.906 4.469 -2.316 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -3.322 3.459 -3.624 1.00 0.00 H new ATOM 690 N TYR A 47 -5.888 5.004 -3.752 1.00 0.00 N ATOM 691 CA TYR A 47 -7.216 5.345 -4.249 1.00 0.00 C ATOM 692 C TYR A 47 -7.200 6.750 -4.856 1.00 0.00 C ATOM 693 O TYR A 47 -6.377 7.579 -4.465 1.00 0.00 O ATOM 694 CB TYR A 47 -8.250 5.306 -3.113 1.00 0.00 C ATOM 695 CG TYR A 47 -8.202 4.061 -2.248 1.00 0.00 C ATOM 696 CD1 TYR A 47 -8.911 2.901 -2.613 1.00 0.00 C ATOM 697 CD2 TYR A 47 -7.406 4.064 -1.089 1.00 0.00 C ATOM 698 CE1 TYR A 47 -8.825 1.741 -1.821 1.00 0.00 C ATOM 699 CE2 TYR A 47 -7.329 2.917 -0.283 1.00 0.00 C ATOM 700 CZ TYR A 47 -8.033 1.747 -0.648 1.00 0.00 C ATOM 701 OH TYR A 47 -7.945 0.650 0.148 1.00 0.00 O ATOM 0 H TYR A 47 -5.323 5.819 -3.511 1.00 0.00 H new ATOM 0 HA TYR A 47 -7.492 4.613 -5.008 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -8.102 6.179 -2.477 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -9.247 5.392 -3.546 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -9.523 2.901 -3.503 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -6.852 4.951 -0.818 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -9.362 0.849 -2.107 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -6.731 2.929 0.617 1.00 0.00 H new ATOM 0 HH TYR A 47 -8.671 0.029 -0.070 1.00 0.00 H new ATOM 711 N LYS A 48 -8.140 7.053 -5.762 1.00 0.00 N ATOM 712 CA LYS A 48 -8.283 8.397 -6.328 1.00 0.00 C ATOM 713 C LYS A 48 -8.753 9.391 -5.267 1.00 0.00 C ATOM 714 O LYS A 48 -8.375 10.560 -5.341 1.00 0.00 O ATOM 715 CB LYS A 48 -9.260 8.385 -7.520 1.00 0.00 C ATOM 716 CG LYS A 48 -8.547 8.144 -8.861 1.00 0.00 C ATOM 717 CD LYS A 48 -9.553 8.056 -10.022 1.00 0.00 C ATOM 718 CE LYS A 48 -8.978 8.495 -11.378 1.00 0.00 C ATOM 719 NZ LYS A 48 -7.846 7.666 -11.864 1.00 0.00 N ATOM 0 H LYS A 48 -8.816 6.378 -6.119 1.00 0.00 H new ATOM 0 HA LYS A 48 -7.303 8.716 -6.685 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -10.008 7.608 -7.365 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -9.791 9.336 -7.560 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -7.840 8.952 -9.050 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -7.969 7.221 -8.807 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -9.909 7.029 -10.105 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -10.419 8.676 -9.788 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -9.775 8.471 -12.121 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -8.646 9.530 -11.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -7.519 8.029 -12.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -7.066 7.707 -11.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -8.159 6.680 -11.974 1.00 0.00 H new ATOM 733 N TRP A 49 -9.558 8.955 -4.287 1.00 0.00 N ATOM 734 CA TRP A 49 -10.041 9.849 -3.238 1.00 0.00 C ATOM 735 C TRP A 49 -8.886 10.411 -2.400 1.00 0.00 C ATOM 736 O TRP A 49 -8.964 11.559 -1.959 1.00 0.00 O ATOM 737 CB TRP A 49 -11.151 9.195 -2.394 1.00 0.00 C ATOM 738 CG TRP A 49 -10.958 7.805 -1.844 1.00 0.00 C ATOM 739 CD1 TRP A 49 -11.608 6.701 -2.280 1.00 0.00 C ATOM 740 CD2 TRP A 49 -10.155 7.350 -0.707 1.00 0.00 C ATOM 741 NE1 TRP A 49 -11.280 5.615 -1.495 1.00 0.00 N ATOM 742 CE2 TRP A 49 -10.388 5.956 -0.502 1.00 0.00 C ATOM 743 CE3 TRP A 49 -9.257 7.973 0.183 1.00 0.00 C ATOM 744 CZ2 TRP A 49 -9.756 5.227 0.520 1.00 0.00 C ATOM 745 CZ3 TRP A 49 -8.567 7.239 1.165 1.00 0.00 C ATOM 746 CH2 TRP A 49 -8.801 5.863 1.329 1.00 0.00 C ATOM 0 H TRP A 49 -9.884 7.992 -4.204 1.00 0.00 H new ATOM 0 HA TRP A 49 -10.507 10.708 -3.720 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -11.346 9.854 -1.548 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -12.055 9.180 -3.002 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -12.285 6.674 -3.121 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -11.652 4.675 -1.633 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -9.095 9.038 0.109 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -10.003 4.188 0.681 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -7.850 7.738 1.800 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -8.252 5.301 2.070 1.00 0.00 H new ATOM 757 N ALA A 50 -7.792 9.659 -2.235 1.00 0.00 N ATOM 758 CA ALA A 50 -6.572 10.148 -1.613 1.00 0.00 C ATOM 759 C ALA A 50 -5.650 10.728 -2.686 1.00 0.00 C ATOM 760 O ALA A 50 -4.620 10.149 -3.025 1.00 0.00 O ATOM 761 CB ALA A 50 -5.895 9.055 -0.798 1.00 0.00 C ATOM 0 H ALA A 50 -7.735 8.686 -2.535 1.00 0.00 H new ATOM 0 HA ALA A 50 -6.818 10.945 -0.911 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -4.986 9.450 -0.345 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -6.572 8.713 -0.015 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -5.642 8.219 -1.450 1.00 0.00 H new ATOM 767 N GLU A 51 -6.034 11.880 -3.234 1.00 0.00 N ATOM 768 CA GLU A 51 -5.236 12.612 -4.216 1.00 0.00 C ATOM 769 C GLU A 51 -3.869 13.042 -3.628 1.00 0.00 C ATOM 770 O GLU A 51 -2.933 13.321 -4.378 1.00 0.00 O ATOM 771 CB GLU A 51 -6.075 13.817 -4.686 1.00 0.00 C ATOM 772 CG GLU A 51 -5.514 14.595 -5.885 1.00 0.00 C ATOM 773 CD GLU A 51 -5.475 13.754 -7.172 1.00 0.00 C ATOM 774 OE1 GLU A 51 -6.477 13.733 -7.922 1.00 0.00 O ATOM 775 OE2 GLU A 51 -4.423 13.137 -7.454 1.00 0.00 O ATOM 0 H GLU A 51 -6.917 12.336 -3.006 1.00 0.00 H new ATOM 0 HA GLU A 51 -4.999 11.975 -5.068 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -7.074 13.463 -4.942 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -6.186 14.507 -3.849 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -6.123 15.483 -6.054 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -4.507 14.940 -5.650 1.00 0.00 H new ATOM 782 N TYR A 52 -3.731 13.055 -2.297 1.00 0.00 N ATOM 783 CA TYR A 52 -2.511 13.357 -1.554 1.00 0.00 C ATOM 784 C TYR A 52 -2.232 12.180 -0.616 1.00 0.00 C ATOM 785 O TYR A 52 -3.167 11.527 -0.136 1.00 0.00 O ATOM 786 CB TYR A 52 -2.611 14.700 -0.809 1.00 0.00 C ATOM 787 CG TYR A 52 -3.989 15.129 -0.340 1.00 0.00 C ATOM 788 CD1 TYR A 52 -4.892 15.669 -1.272 1.00 0.00 C ATOM 789 CD2 TYR A 52 -4.354 15.031 1.015 1.00 0.00 C ATOM 790 CE1 TYR A 52 -6.170 16.088 -0.865 1.00 0.00 C ATOM 791 CE2 TYR A 52 -5.627 15.459 1.436 1.00 0.00 C ATOM 792 CZ TYR A 52 -6.544 15.984 0.496 1.00 0.00 C ATOM 793 OH TYR A 52 -7.784 16.397 0.884 1.00 0.00 O ATOM 0 H TYR A 52 -4.514 12.843 -1.679 1.00 0.00 H new ATOM 0 HA TYR A 52 -1.673 13.477 -2.240 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -1.957 14.654 0.061 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -2.218 15.479 -1.462 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -4.602 15.763 -2.308 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -3.656 14.627 1.733 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -6.865 16.488 -1.589 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -5.904 15.386 2.477 1.00 0.00 H new ATOM 0 HH TYR A 52 -7.888 16.259 1.849 1.00 0.00 H new ATOM 803 N HIS A 53 -0.958 11.881 -0.363 1.00 0.00 N ATOM 804 CA HIS A 53 -0.553 10.664 0.331 1.00 0.00 C ATOM 805 C HIS A 53 -0.886 10.761 1.811 1.00 0.00 C ATOM 806 O HIS A 53 -1.236 9.748 2.423 1.00 0.00 O ATOM 807 CB HIS A 53 0.945 10.414 0.134 1.00 0.00 C ATOM 808 CG HIS A 53 1.315 10.216 -1.313 1.00 0.00 C ATOM 809 ND1 HIS A 53 1.953 11.142 -2.144 1.00 0.00 N ATOM 810 CD2 HIS A 53 1.049 9.092 -2.031 1.00 0.00 C ATOM 811 CE1 HIS A 53 2.079 10.541 -3.336 1.00 0.00 C ATOM 812 NE2 HIS A 53 1.543 9.313 -3.292 1.00 0.00 N ATOM 0 H HIS A 53 -0.178 12.479 -0.635 1.00 0.00 H new ATOM 0 HA HIS A 53 -1.104 9.823 -0.091 1.00 0.00 H new ATOM 0 HB2 HIS A 53 1.506 11.257 0.536 1.00 0.00 H new ATOM 0 HB3 HIS A 53 1.241 9.533 0.704 1.00 0.00 H new ATOM 0 HD2 HIS A 53 0.548 8.202 -1.679 1.00 0.00 H new ATOM 0 HE1 HIS A 53 2.545 10.982 -4.205 1.00 0.00 H new ATOM 0 HE2 HIS A 53 1.508 8.652 -4.068 1.00 0.00 H new ATOM 820 N ALA A 54 -0.849 11.973 2.373 1.00 0.00 N ATOM 821 CA ALA A 54 -1.305 12.215 3.734 1.00 0.00 C ATOM 822 C ALA A 54 -2.737 11.720 3.967 1.00 0.00 C ATOM 823 O ALA A 54 -3.046 11.316 5.088 1.00 0.00 O ATOM 824 CB ALA A 54 -1.190 13.704 4.074 1.00 0.00 C ATOM 0 H ALA A 54 -0.503 12.806 1.896 1.00 0.00 H new ATOM 0 HA ALA A 54 -0.658 11.643 4.399 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -1.534 13.872 5.095 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.150 14.018 3.985 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -1.804 14.283 3.384 1.00 0.00 H new ATOM 830 N ASP A 55 -3.609 11.729 2.948 1.00 0.00 N ATOM 831 CA ASP A 55 -5.007 11.341 3.140 1.00 0.00 C ATOM 832 C ASP A 55 -5.129 9.844 3.412 1.00 0.00 C ATOM 833 O ASP A 55 -5.758 9.447 4.395 1.00 0.00 O ATOM 834 CB ASP A 55 -5.867 11.697 1.926 1.00 0.00 C ATOM 835 CG ASP A 55 -7.354 11.599 2.295 1.00 0.00 C ATOM 836 OD1 ASP A 55 -7.864 12.507 2.991 1.00 0.00 O ATOM 837 OD2 ASP A 55 -8.018 10.627 1.884 1.00 0.00 O ATOM 0 H ASP A 55 -3.371 11.998 1.993 1.00 0.00 H new ATOM 0 HA ASP A 55 -5.369 11.899 4.003 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -5.633 12.706 1.586 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -5.643 11.022 1.100 1.00 0.00 H new ATOM 842 N ILE A 56 -4.483 9.010 2.582 1.00 0.00 N ATOM 843 CA ILE A 56 -4.450 7.570 2.806 1.00 0.00 C ATOM 844 C ILE A 56 -3.676 7.267 4.079 1.00 0.00 C ATOM 845 O ILE A 56 -4.122 6.397 4.820 1.00 0.00 O ATOM 846 CB ILE A 56 -3.896 6.725 1.625 1.00 0.00 C ATOM 847 CG1 ILE A 56 -2.920 7.453 0.664 1.00 0.00 C ATOM 848 CG2 ILE A 56 -5.062 5.982 0.953 1.00 0.00 C ATOM 849 CD1 ILE A 56 -2.727 6.785 -0.706 1.00 0.00 C ATOM 0 H ILE A 56 -3.978 9.316 1.750 1.00 0.00 H new ATOM 0 HA ILE A 56 -5.493 7.267 2.900 1.00 0.00 H new ATOM 0 HB ILE A 56 -3.215 5.982 2.041 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -3.282 8.469 0.507 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -1.948 7.532 1.151 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -4.683 5.386 0.123 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -5.543 5.327 1.680 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -5.787 6.705 0.580 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -2.027 7.371 -1.301 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -2.331 5.779 -0.568 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -3.685 6.730 -1.222 1.00 0.00 H new ATOM 861 N TYR A 57 -2.563 7.956 4.359 1.00 0.00 N ATOM 862 CA TYR A 57 -1.828 7.658 5.577 1.00 0.00 C ATOM 863 C TYR A 57 -2.722 7.887 6.795 1.00 0.00 C ATOM 864 O TYR A 57 -2.863 6.969 7.595 1.00 0.00 O ATOM 865 CB TYR A 57 -0.509 8.430 5.690 1.00 0.00 C ATOM 866 CG TYR A 57 0.206 8.122 6.998 1.00 0.00 C ATOM 867 CD1 TYR A 57 0.516 6.788 7.335 1.00 0.00 C ATOM 868 CD2 TYR A 57 0.478 9.151 7.920 1.00 0.00 C ATOM 869 CE1 TYR A 57 1.084 6.475 8.582 1.00 0.00 C ATOM 870 CE2 TYR A 57 1.054 8.850 9.168 1.00 0.00 C ATOM 871 CZ TYR A 57 1.353 7.510 9.509 1.00 0.00 C ATOM 872 OH TYR A 57 1.874 7.232 10.738 1.00 0.00 O ATOM 0 H TYR A 57 -2.169 8.696 3.778 1.00 0.00 H new ATOM 0 HA TYR A 57 -1.546 6.606 5.537 1.00 0.00 H new ATOM 0 HB2 TYR A 57 0.138 8.173 4.851 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -0.706 9.500 5.625 1.00 0.00 H new ATOM 0 HD1 TYR A 57 0.315 5.998 6.627 1.00 0.00 H new ATOM 0 HD2 TYR A 57 0.244 10.175 7.668 1.00 0.00 H new ATOM 0 HE1 TYR A 57 1.314 5.450 8.832 1.00 0.00 H new ATOM 0 HE2 TYR A 57 1.268 9.644 9.868 1.00 0.00 H new ATOM 0 HH TYR A 57 1.993 8.066 11.239 1.00 0.00 H new ATOM 882 N ASP A 58 -3.382 9.045 6.908 1.00 0.00 N ATOM 883 CA ASP A 58 -4.234 9.358 8.055 1.00 0.00 C ATOM 884 C ASP A 58 -5.398 8.372 8.192 1.00 0.00 C ATOM 885 O ASP A 58 -5.667 7.873 9.288 1.00 0.00 O ATOM 886 CB ASP A 58 -4.779 10.785 7.936 1.00 0.00 C ATOM 887 CG ASP A 58 -5.736 11.100 9.097 1.00 0.00 C ATOM 888 OD1 ASP A 58 -5.258 11.357 10.225 1.00 0.00 O ATOM 889 OD2 ASP A 58 -6.968 11.123 8.883 1.00 0.00 O ATOM 0 H ASP A 58 -3.339 9.787 6.209 1.00 0.00 H new ATOM 0 HA ASP A 58 -3.617 9.273 8.949 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -3.953 11.496 7.936 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -5.301 10.902 6.986 1.00 0.00 H new ATOM 894 N LYS A 59 -6.076 8.061 7.081 1.00 0.00 N ATOM 895 CA LYS A 59 -7.190 7.114 7.069 1.00 0.00 C ATOM 896 C LYS A 59 -6.723 5.732 7.511 1.00 0.00 C ATOM 897 O LYS A 59 -7.354 5.117 8.371 1.00 0.00 O ATOM 898 CB LYS A 59 -7.809 7.110 5.661 1.00 0.00 C ATOM 899 CG LYS A 59 -8.896 6.039 5.454 1.00 0.00 C ATOM 900 CD LYS A 59 -10.018 6.586 4.564 1.00 0.00 C ATOM 901 CE LYS A 59 -10.975 5.467 4.132 1.00 0.00 C ATOM 902 NZ LYS A 59 -11.993 5.949 3.166 1.00 0.00 N ATOM 0 H LYS A 59 -5.865 8.460 6.166 1.00 0.00 H new ATOM 0 HA LYS A 59 -7.958 7.416 7.781 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -8.239 8.092 5.462 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -7.017 6.955 4.928 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -8.459 5.151 4.996 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -9.303 5.733 6.418 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -10.572 7.355 5.103 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -9.588 7.062 3.683 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -10.404 4.655 3.682 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -11.474 5.057 5.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -12.855 5.373 3.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -12.219 6.944 3.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -11.619 5.868 2.199 1.00 0.00 H new ATOM 916 N VAL A 60 -5.632 5.233 6.937 1.00 0.00 N ATOM 917 CA VAL A 60 -5.227 3.853 7.131 1.00 0.00 C ATOM 918 C VAL A 60 -4.537 3.698 8.483 1.00 0.00 C ATOM 919 O VAL A 60 -4.814 2.708 9.155 1.00 0.00 O ATOM 920 CB VAL A 60 -4.365 3.383 5.946 1.00 0.00 C ATOM 921 CG1 VAL A 60 -3.874 1.940 6.160 1.00 0.00 C ATOM 922 CG2 VAL A 60 -5.167 3.451 4.630 1.00 0.00 C ATOM 0 H VAL A 60 -5.012 5.771 6.331 1.00 0.00 H new ATOM 0 HA VAL A 60 -6.102 3.204 7.152 1.00 0.00 H new ATOM 0 HB VAL A 60 -3.504 4.048 5.883 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -3.267 1.632 5.308 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.275 1.891 7.069 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -4.732 1.274 6.254 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -4.540 3.115 3.804 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -6.044 2.808 4.705 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -5.484 4.478 4.450 1.00 0.00 H new ATOM 932 N SER A 61 -3.701 4.640 8.937 1.00 0.00 N ATOM 933 CA SER A 61 -3.129 4.545 10.274 1.00 0.00 C ATOM 934 C SER A 61 -4.257 4.569 11.304 1.00 0.00 C ATOM 935 O SER A 61 -4.224 3.778 12.244 1.00 0.00 O ATOM 936 CB SER A 61 -2.076 5.635 10.519 1.00 0.00 C ATOM 937 OG SER A 61 -2.632 6.937 10.528 1.00 0.00 O ATOM 0 H SER A 61 -3.413 5.461 8.405 1.00 0.00 H new ATOM 0 HA SER A 61 -2.597 3.599 10.374 1.00 0.00 H new ATOM 0 HB2 SER A 61 -1.581 5.449 11.472 1.00 0.00 H new ATOM 0 HB3 SER A 61 -1.311 5.576 9.745 1.00 0.00 H new ATOM 0 HG SER A 61 -2.819 7.219 9.608 1.00 0.00 H new ATOM 943 N GLY A 62 -5.288 5.394 11.082 1.00 0.00 N ATOM 944 CA GLY A 62 -6.497 5.414 11.884 1.00 0.00 C ATOM 945 C GLY A 62 -7.172 4.046 11.906 1.00 0.00 C ATOM 946 O GLY A 62 -7.445 3.528 12.984 1.00 0.00 O ATOM 0 H GLY A 62 -5.296 6.076 10.323 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -6.255 5.719 12.902 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -7.188 6.156 11.485 1.00 0.00 H new ATOM 950 N ASP A 63 -7.423 3.430 10.747 1.00 0.00 N ATOM 951 CA ASP A 63 -8.078 2.122 10.680 1.00 0.00 C ATOM 952 C ASP A 63 -7.257 1.044 11.381 1.00 0.00 C ATOM 953 O ASP A 63 -7.792 0.297 12.199 1.00 0.00 O ATOM 954 CB ASP A 63 -8.353 1.701 9.236 1.00 0.00 C ATOM 955 CG ASP A 63 -9.137 0.377 9.225 1.00 0.00 C ATOM 956 OD1 ASP A 63 -10.387 0.422 9.270 1.00 0.00 O ATOM 957 OD2 ASP A 63 -8.512 -0.704 9.166 1.00 0.00 O ATOM 0 H ASP A 63 -7.180 3.820 9.837 1.00 0.00 H new ATOM 0 HA ASP A 63 -9.031 2.227 11.199 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -8.922 2.476 8.722 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -7.414 1.584 8.696 1.00 0.00 H new ATOM 962 N MET A 64 -5.950 0.996 11.122 1.00 0.00 N ATOM 963 CA MET A 64 -5.043 0.051 11.756 1.00 0.00 C ATOM 964 C MET A 64 -5.057 0.233 13.273 1.00 0.00 C ATOM 965 O MET A 64 -5.224 -0.743 14.003 1.00 0.00 O ATOM 966 CB MET A 64 -3.632 0.246 11.189 1.00 0.00 C ATOM 967 CG MET A 64 -3.540 -0.144 9.705 1.00 0.00 C ATOM 968 SD MET A 64 -3.633 -1.921 9.379 1.00 0.00 S ATOM 969 CE MET A 64 -5.312 -1.968 8.710 1.00 0.00 C ATOM 0 H MET A 64 -5.491 1.620 10.459 1.00 0.00 H new ATOM 0 HA MET A 64 -5.370 -0.967 11.543 1.00 0.00 H new ATOM 0 HB2 MET A 64 -3.336 1.288 11.307 1.00 0.00 H new ATOM 0 HB3 MET A 64 -2.926 -0.353 11.764 1.00 0.00 H new ATOM 0 HG2 MET A 64 -4.345 0.353 9.163 1.00 0.00 H new ATOM 0 HG3 MET A 64 -2.602 0.236 9.302 1.00 0.00 H new ATOM 0 HE1 MET A 64 -5.674 -2.996 8.708 1.00 0.00 H new ATOM 0 HE2 MET A 64 -5.967 -1.354 9.328 1.00 0.00 H new ATOM 0 HE3 MET A 64 -5.308 -1.583 7.690 1.00 0.00 H new ATOM 979 N GLN A 65 -4.949 1.469 13.758 1.00 0.00 N ATOM 980 CA GLN A 65 -5.003 1.789 15.175 1.00 0.00 C ATOM 981 C GLN A 65 -6.364 1.421 15.777 1.00 0.00 C ATOM 982 O GLN A 65 -6.403 0.925 16.902 1.00 0.00 O ATOM 983 CB GLN A 65 -4.662 3.275 15.360 1.00 0.00 C ATOM 984 CG GLN A 65 -3.157 3.574 15.189 1.00 0.00 C ATOM 985 CD GLN A 65 -2.413 3.545 16.526 1.00 0.00 C ATOM 986 OE1 GLN A 65 -2.240 4.573 17.177 1.00 0.00 O ATOM 987 NE2 GLN A 65 -1.973 2.385 16.985 1.00 0.00 N ATOM 0 H GLN A 65 -4.819 2.287 13.163 1.00 0.00 H new ATOM 0 HA GLN A 65 -4.267 1.195 15.716 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -5.228 3.865 14.639 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -4.980 3.594 16.353 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -2.716 2.842 14.512 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -3.032 4.552 14.725 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -2.118 1.534 16.442 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -1.489 2.342 17.882 1.00 0.00 H new ATOM 996 N LYS A 66 -7.469 1.576 15.038 1.00 0.00 N ATOM 997 CA LYS A 66 -8.784 1.110 15.476 1.00 0.00 C ATOM 998 C LYS A 66 -8.834 -0.418 15.557 1.00 0.00 C ATOM 999 O LYS A 66 -9.466 -0.927 16.479 1.00 0.00 O ATOM 1000 CB LYS A 66 -9.900 1.674 14.578 1.00 0.00 C ATOM 1001 CG LYS A 66 -10.169 3.161 14.878 1.00 0.00 C ATOM 1002 CD LYS A 66 -11.252 3.790 13.986 1.00 0.00 C ATOM 1003 CE LYS A 66 -10.821 3.926 12.516 1.00 0.00 C ATOM 1004 NZ LYS A 66 -11.859 4.598 11.692 1.00 0.00 N ATOM 0 H LYS A 66 -7.474 2.027 14.123 1.00 0.00 H new ATOM 0 HA LYS A 66 -8.956 1.490 16.483 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -9.620 1.558 13.531 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -10.814 1.100 14.729 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -10.467 3.263 15.921 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -9.241 3.720 14.755 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -12.155 3.182 14.038 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -11.508 4.775 14.376 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -9.892 4.493 12.462 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -10.616 2.937 12.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -11.529 4.670 10.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -12.739 4.044 11.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -12.037 5.551 12.068 1.00 0.00 H new ATOM 1018 N GLN A 67 -8.159 -1.159 14.665 1.00 0.00 N ATOM 1019 CA GLN A 67 -8.004 -2.611 14.808 1.00 0.00 C ATOM 1020 C GLN A 67 -7.037 -2.983 15.950 1.00 0.00 C ATOM 1021 O GLN A 67 -7.044 -4.127 16.407 1.00 0.00 O ATOM 1022 CB GLN A 67 -7.536 -3.249 13.486 1.00 0.00 C ATOM 1023 CG GLN A 67 -8.578 -3.131 12.359 1.00 0.00 C ATOM 1024 CD GLN A 67 -8.197 -3.960 11.128 1.00 0.00 C ATOM 1025 OE1 GLN A 67 -7.979 -5.166 11.215 1.00 0.00 O ATOM 1026 NE2 GLN A 67 -8.125 -3.364 9.949 1.00 0.00 N ATOM 0 H GLN A 67 -7.711 -0.772 13.834 1.00 0.00 H new ATOM 0 HA GLN A 67 -8.986 -3.009 15.064 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -6.609 -2.773 13.167 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -7.311 -4.302 13.657 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -9.549 -3.459 12.729 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -8.683 -2.085 12.072 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -8.305 -2.363 9.872 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -7.889 -3.906 9.117 1.00 0.00 H new ATOM 1035 N GLY A 68 -6.209 -2.043 16.414 1.00 0.00 N ATOM 1036 CA GLY A 68 -5.250 -2.214 17.501 1.00 0.00 C ATOM 1037 C GLY A 68 -3.803 -2.294 17.001 1.00 0.00 C ATOM 1038 O GLY A 68 -2.884 -2.291 17.816 1.00 0.00 O ATOM 0 H GLY A 68 -6.191 -1.101 16.023 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -5.344 -1.382 18.199 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -5.491 -3.122 18.054 1.00 0.00 H new ATOM 1042 N CYS A 69 -3.584 -2.379 15.687 1.00 0.00 N ATOM 1043 CA CYS A 69 -2.263 -2.378 15.071 1.00 0.00 C ATOM 1044 C CYS A 69 -1.566 -1.028 15.276 1.00 0.00 C ATOM 1045 O CYS A 69 -2.209 -0.024 15.578 1.00 0.00 O ATOM 1046 CB CYS A 69 -2.425 -2.663 13.574 1.00 0.00 C ATOM 1047 SG CYS A 69 -2.984 -4.369 13.314 1.00 0.00 S ATOM 0 H CYS A 69 -4.342 -2.452 15.008 1.00 0.00 H new ATOM 0 HA CYS A 69 -1.646 -3.146 15.537 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -3.144 -1.968 13.140 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -1.477 -2.502 13.062 1.00 0.00 H new ATOM 0 HG CYS A 69 -3.867 -4.396 12.361 1.00 0.00 H new ATOM 1053 N ASP A 70 -0.257 -0.982 15.033 1.00 0.00 N ATOM 1054 CA ASP A 70 0.536 0.248 14.982 1.00 0.00 C ATOM 1055 C ASP A 70 1.246 0.258 13.635 1.00 0.00 C ATOM 1056 O ASP A 70 1.580 -0.820 13.131 1.00 0.00 O ATOM 1057 CB ASP A 70 1.530 0.310 16.145 1.00 0.00 C ATOM 1058 CG ASP A 70 2.419 1.561 16.048 1.00 0.00 C ATOM 1059 OD1 ASP A 70 1.885 2.671 15.829 1.00 0.00 O ATOM 1060 OD2 ASP A 70 3.654 1.438 16.207 1.00 0.00 O ATOM 0 H ASP A 70 0.297 -1.821 14.861 1.00 0.00 H new ATOM 0 HA ASP A 70 -0.100 1.127 15.082 1.00 0.00 H new ATOM 0 HB2 ASP A 70 0.988 0.318 17.091 1.00 0.00 H new ATOM 0 HB3 ASP A 70 2.154 -0.584 16.142 1.00 0.00 H new ATOM 1065 N CYS A 71 1.482 1.443 13.064 1.00 0.00 N ATOM 1066 CA CYS A 71 1.923 1.595 11.683 1.00 0.00 C ATOM 1067 C CYS A 71 2.883 2.761 11.448 1.00 0.00 C ATOM 1068 O CYS A 71 2.959 3.690 12.254 1.00 0.00 O ATOM 1069 CB CYS A 71 0.671 1.858 10.835 1.00 0.00 C ATOM 1070 SG CYS A 71 -0.299 0.347 10.672 1.00 0.00 S ATOM 0 H CYS A 71 1.370 2.329 13.556 1.00 0.00 H new ATOM 0 HA CYS A 71 2.461 0.685 11.418 1.00 0.00 H new ATOM 0 HB2 CYS A 71 0.067 2.639 11.298 1.00 0.00 H new ATOM 0 HB3 CYS A 71 0.960 2.221 9.849 1.00 0.00 H new ATOM 0 HG CYS A 71 -0.785 0.016 11.832 1.00 0.00 H new ATOM 1076 N GLU A 72 3.539 2.749 10.282 1.00 0.00 N ATOM 1077 CA GLU A 72 4.337 3.838 9.744 1.00 0.00 C ATOM 1078 C GLU A 72 4.237 3.752 8.215 1.00 0.00 C ATOM 1079 O GLU A 72 4.307 2.650 7.668 1.00 0.00 O ATOM 1080 CB GLU A 72 5.784 3.642 10.231 1.00 0.00 C ATOM 1081 CG GLU A 72 6.799 4.585 9.580 1.00 0.00 C ATOM 1082 CD GLU A 72 6.571 6.063 9.951 1.00 0.00 C ATOM 1083 OE1 GLU A 72 5.558 6.654 9.518 1.00 0.00 O ATOM 1084 OE2 GLU A 72 7.412 6.643 10.677 1.00 0.00 O ATOM 0 H GLU A 72 3.522 1.937 9.664 1.00 0.00 H new ATOM 0 HA GLU A 72 3.994 4.820 10.070 1.00 0.00 H new ATOM 0 HB2 GLU A 72 5.814 3.784 11.311 1.00 0.00 H new ATOM 0 HB3 GLU A 72 6.085 2.613 10.036 1.00 0.00 H new ATOM 0 HG2 GLU A 72 7.805 4.291 9.881 1.00 0.00 H new ATOM 0 HG3 GLU A 72 6.746 4.476 8.497 1.00 0.00 H new ATOM 1091 N CYS A 73 4.076 4.874 7.508 1.00 0.00 N ATOM 1092 CA CYS A 73 4.196 4.888 6.053 1.00 0.00 C ATOM 1093 C CYS A 73 5.693 4.861 5.726 1.00 0.00 C ATOM 1094 O CYS A 73 6.430 5.793 6.058 1.00 0.00 O ATOM 1095 CB CYS A 73 3.460 6.084 5.415 1.00 0.00 C ATOM 1096 SG CYS A 73 3.741 7.623 6.336 1.00 0.00 S ATOM 0 H CYS A 73 3.863 5.782 7.922 1.00 0.00 H new ATOM 0 HA CYS A 73 3.708 4.014 5.621 1.00 0.00 H new ATOM 0 HB2 CYS A 73 3.797 6.210 4.386 1.00 0.00 H new ATOM 0 HB3 CYS A 73 2.391 5.874 5.377 1.00 0.00 H new ATOM 0 HG CYS A 73 4.039 8.578 5.505 1.00 0.00 H new ATOM 1102 N LEU A 74 6.158 3.785 5.084 1.00 0.00 N ATOM 1103 CA LEU A 74 7.537 3.696 4.609 1.00 0.00 C ATOM 1104 C LEU A 74 7.768 4.694 3.467 1.00 0.00 C ATOM 1105 O LEU A 74 8.901 5.121 3.247 1.00 0.00 O ATOM 1106 CB LEU A 74 7.884 2.263 4.165 1.00 0.00 C ATOM 1107 CG LEU A 74 7.750 1.177 5.254 1.00 0.00 C ATOM 1108 CD1 LEU A 74 8.345 -0.144 4.749 1.00 0.00 C ATOM 1109 CD2 LEU A 74 8.440 1.554 6.573 1.00 0.00 C ATOM 0 H LEU A 74 5.593 2.960 4.882 1.00 0.00 H new ATOM 0 HA LEU A 74 8.200 3.952 5.435 1.00 0.00 H new ATOM 0 HB2 LEU A 74 7.239 1.995 3.328 1.00 0.00 H new ATOM 0 HB3 LEU A 74 8.909 2.255 3.793 1.00 0.00 H new ATOM 0 HG LEU A 74 6.684 1.075 5.457 1.00 0.00 H new ATOM 0 HD11 LEU A 74 8.247 -0.906 5.522 1.00 0.00 H new ATOM 0 HD12 LEU A 74 7.812 -0.465 3.854 1.00 0.00 H new ATOM 0 HD13 LEU A 74 9.399 -0.001 4.512 1.00 0.00 H new ATOM 0 HD21 LEU A 74 8.308 0.749 7.296 1.00 0.00 H new ATOM 0 HD22 LEU A 74 9.504 1.712 6.395 1.00 0.00 H new ATOM 0 HD23 LEU A 74 7.998 2.470 6.966 1.00 0.00 H new ATOM 1121 N GLY A 75 6.703 5.083 2.760 1.00 0.00 N ATOM 1122 CA GLY A 75 6.695 6.151 1.777 1.00 0.00 C ATOM 1123 C GLY A 75 5.407 6.077 0.967 1.00 0.00 C ATOM 1124 O GLY A 75 4.475 5.349 1.330 1.00 0.00 O ATOM 0 H GLY A 75 5.791 4.640 2.867 1.00 0.00 H new ATOM 0 HA2 GLY A 75 6.772 7.119 2.273 1.00 0.00 H new ATOM 0 HA3 GLY A 75 7.559 6.061 1.118 1.00 0.00 H new ATOM 1128 N GLY A 76 5.372 6.790 -0.155 1.00 0.00 N ATOM 1129 CA GLY A 76 4.288 6.703 -1.118 1.00 0.00 C ATOM 1130 C GLY A 76 4.797 6.931 -2.531 1.00 0.00 C ATOM 1131 O GLY A 76 5.988 7.173 -2.741 1.00 0.00 O ATOM 0 H GLY A 76 6.104 7.449 -0.420 1.00 0.00 H new ATOM 0 HA2 GLY A 76 3.815 5.723 -1.051 1.00 0.00 H new ATOM 0 HA3 GLY A 76 3.524 7.443 -0.879 1.00 0.00 H new ATOM 1135 N GLY A 77 3.877 6.846 -3.485 1.00 0.00 N ATOM 1136 CA GLY A 77 4.110 6.959 -4.915 1.00 0.00 C ATOM 1137 C GLY A 77 2.755 6.890 -5.608 1.00 0.00 C ATOM 1138 O GLY A 77 1.721 7.144 -4.984 1.00 0.00 O ATOM 0 H GLY A 77 2.894 6.687 -3.266 1.00 0.00 H new ATOM 0 HA2 GLY A 77 4.612 7.898 -5.148 1.00 0.00 H new ATOM 0 HA3 GLY A 77 4.759 6.155 -5.262 1.00 0.00 H new ATOM 1142 N ARG A 78 2.703 6.529 -6.882 1.00 0.00 N ATOM 1143 CA ARG A 78 1.441 6.301 -7.571 1.00 0.00 C ATOM 1144 C ARG A 78 1.565 5.048 -8.417 1.00 0.00 C ATOM 1145 O ARG A 78 2.669 4.618 -8.760 1.00 0.00 O ATOM 1146 CB ARG A 78 1.013 7.555 -8.356 1.00 0.00 C ATOM 1147 CG ARG A 78 1.989 7.949 -9.465 1.00 0.00 C ATOM 1148 CD ARG A 78 1.506 9.222 -10.174 1.00 0.00 C ATOM 1149 NE ARG A 78 2.521 9.755 -11.098 1.00 0.00 N ATOM 1150 CZ ARG A 78 3.535 10.567 -10.770 1.00 0.00 C ATOM 1151 NH1 ARG A 78 3.723 10.974 -9.518 1.00 0.00 N ATOM 1152 NH2 ARG A 78 4.382 10.984 -11.700 1.00 0.00 N ATOM 0 H ARG A 78 3.528 6.387 -7.464 1.00 0.00 H new ATOM 0 HA ARG A 78 0.636 6.127 -6.858 1.00 0.00 H new ATOM 0 HB2 ARG A 78 0.030 7.381 -8.794 1.00 0.00 H new ATOM 0 HB3 ARG A 78 0.909 8.389 -7.662 1.00 0.00 H new ATOM 0 HG2 ARG A 78 2.981 8.113 -9.044 1.00 0.00 H new ATOM 0 HG3 ARG A 78 2.079 7.136 -10.185 1.00 0.00 H new ATOM 0 HD2 ARG A 78 0.591 9.005 -10.726 1.00 0.00 H new ATOM 0 HD3 ARG A 78 1.258 9.980 -9.431 1.00 0.00 H new ATOM 0 HE ARG A 78 2.445 9.481 -12.078 1.00 0.00 H new ATOM 0 HH11 ARG A 78 3.087 10.668 -8.781 1.00 0.00 H new ATOM 0 HH12 ARG A 78 4.503 11.592 -9.294 1.00 0.00 H new ATOM 0 HH21 ARG A 78 4.263 10.687 -12.668 1.00 0.00 H new ATOM 0 HH22 ARG A 78 5.153 11.602 -11.447 1.00 0.00 H new ATOM 1166 N ILE A 79 0.415 4.470 -8.720 1.00 0.00 N ATOM 1167 CA ILE A 79 0.251 3.241 -9.468 1.00 0.00 C ATOM 1168 C ILE A 79 -0.457 3.667 -10.750 1.00 0.00 C ATOM 1169 O ILE A 79 -1.345 4.525 -10.704 1.00 0.00 O ATOM 1170 CB ILE A 79 -0.566 2.216 -8.638 1.00 0.00 C ATOM 1171 CG1 ILE A 79 0.206 1.803 -7.362 1.00 0.00 C ATOM 1172 CG2 ILE A 79 -0.910 0.965 -9.472 1.00 0.00 C ATOM 1173 CD1 ILE A 79 -0.600 0.954 -6.368 1.00 0.00 C ATOM 0 H ILE A 79 -0.478 4.871 -8.433 1.00 0.00 H new ATOM 0 HA ILE A 79 1.192 2.740 -9.694 1.00 0.00 H new ATOM 0 HB ILE A 79 -1.498 2.701 -8.346 1.00 0.00 H new ATOM 0 HG12 ILE A 79 1.095 1.246 -7.657 1.00 0.00 H new ATOM 0 HG13 ILE A 79 0.549 2.704 -6.854 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -1.482 0.267 -8.861 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -1.501 1.257 -10.340 1.00 0.00 H new ATOM 0 HG23 ILE A 79 0.010 0.485 -9.805 1.00 0.00 H new ATOM 0 HD11 ILE A 79 0.023 0.713 -5.506 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -1.475 1.513 -6.038 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -0.920 0.032 -6.853 1.00 0.00 H new ATOM 1333 N HIS A 89 2.354 -0.301 -13.379 1.00 0.00 N ATOM 1334 CA HIS A 89 3.602 0.348 -13.007 1.00 0.00 C ATOM 1335 C HIS A 89 3.424 1.080 -11.682 1.00 0.00 C ATOM 1336 O HIS A 89 2.305 1.467 -11.342 1.00 0.00 O ATOM 1337 CB HIS A 89 4.047 1.296 -14.128 1.00 0.00 C ATOM 1338 CG HIS A 89 5.526 1.576 -14.090 1.00 0.00 C ATOM 1339 ND1 HIS A 89 6.519 0.681 -14.416 1.00 0.00 N ATOM 1340 CD2 HIS A 89 6.138 2.752 -13.747 1.00 0.00 C ATOM 1341 CE1 HIS A 89 7.700 1.306 -14.291 1.00 0.00 C ATOM 1342 NE2 HIS A 89 7.522 2.573 -13.875 1.00 0.00 N ATOM 0 HA HIS A 89 4.385 -0.398 -12.873 1.00 0.00 H new ATOM 0 HB2 HIS A 89 3.787 0.861 -15.093 1.00 0.00 H new ATOM 0 HB3 HIS A 89 3.500 2.235 -14.044 1.00 0.00 H new ATOM 0 HD2 HIS A 89 5.641 3.658 -13.433 1.00 0.00 H new ATOM 0 HE1 HIS A 89 8.660 0.855 -14.496 1.00 0.00 H new ATOM 0 HE2 HIS A 89 8.249 3.265 -13.690 1.00 0.00 H new ATOM 1350 N VAL A 90 4.521 1.294 -10.956 1.00 0.00 N ATOM 1351 CA VAL A 90 4.548 1.968 -9.665 1.00 0.00 C ATOM 1352 C VAL A 90 5.759 2.903 -9.690 1.00 0.00 C ATOM 1353 O VAL A 90 6.867 2.463 -9.995 1.00 0.00 O ATOM 1354 CB VAL A 90 4.641 0.942 -8.511 1.00 0.00 C ATOM 1355 CG1 VAL A 90 4.314 1.625 -7.177 1.00 0.00 C ATOM 1356 CG2 VAL A 90 3.707 -0.270 -8.671 1.00 0.00 C ATOM 0 H VAL A 90 5.445 0.991 -11.264 1.00 0.00 H new ATOM 0 HA VAL A 90 3.632 2.534 -9.493 1.00 0.00 H new ATOM 0 HB VAL A 90 5.665 0.569 -8.534 1.00 0.00 H new ATOM 0 HG11 VAL A 90 4.381 0.896 -6.369 1.00 0.00 H new ATOM 0 HG12 VAL A 90 5.024 2.432 -6.998 1.00 0.00 H new ATOM 0 HG13 VAL A 90 3.304 2.032 -7.215 1.00 0.00 H new ATOM 0 HG21 VAL A 90 3.833 -0.941 -7.821 1.00 0.00 H new ATOM 0 HG22 VAL A 90 2.673 0.071 -8.714 1.00 0.00 H new ATOM 0 HG23 VAL A 90 3.953 -0.800 -9.591 1.00 0.00 H new ATOM 1366 N TYR A 91 5.571 4.196 -9.434 1.00 0.00 N ATOM 1367 CA TYR A 91 6.621 5.205 -9.579 1.00 0.00 C ATOM 1368 C TYR A 91 6.212 6.491 -8.855 1.00 0.00 C ATOM 1369 O TYR A 91 5.134 6.552 -8.262 1.00 0.00 O ATOM 1370 CB TYR A 91 6.930 5.463 -11.072 1.00 0.00 C ATOM 1371 CG TYR A 91 5.954 6.320 -11.870 1.00 0.00 C ATOM 1372 CD1 TYR A 91 4.558 6.212 -11.701 1.00 0.00 C ATOM 1373 CD2 TYR A 91 6.463 7.242 -12.807 1.00 0.00 C ATOM 1374 CE1 TYR A 91 3.691 7.047 -12.419 1.00 0.00 C ATOM 1375 CE2 TYR A 91 5.599 8.084 -13.529 1.00 0.00 C ATOM 1376 CZ TYR A 91 4.204 7.996 -13.328 1.00 0.00 C ATOM 1377 OH TYR A 91 3.344 8.840 -13.967 1.00 0.00 O ATOM 0 H TYR A 91 4.679 4.577 -9.118 1.00 0.00 H new ATOM 0 HA TYR A 91 7.537 4.835 -9.119 1.00 0.00 H new ATOM 0 HB2 TYR A 91 7.912 5.932 -11.133 1.00 0.00 H new ATOM 0 HB3 TYR A 91 7.007 4.496 -11.568 1.00 0.00 H new ATOM 0 HD1 TYR A 91 4.155 5.482 -11.015 1.00 0.00 H new ATOM 0 HD2 TYR A 91 7.529 7.302 -12.972 1.00 0.00 H new ATOM 0 HE1 TYR A 91 2.624 6.963 -12.275 1.00 0.00 H new ATOM 0 HE2 TYR A 91 6.001 8.796 -14.235 1.00 0.00 H new ATOM 0 HH TYR A 91 3.849 9.435 -14.559 1.00 0.00 H new ATOM 1387 N GLY A 92 7.048 7.529 -8.919 1.00 0.00 N ATOM 1388 CA GLY A 92 6.784 8.792 -8.239 1.00 0.00 C ATOM 1389 C GLY A 92 7.135 8.694 -6.756 1.00 0.00 C ATOM 1390 O GLY A 92 7.701 7.692 -6.307 1.00 0.00 O ATOM 0 H GLY A 92 7.923 7.515 -9.443 1.00 0.00 H new ATOM 0 HA2 GLY A 92 7.366 9.588 -8.703 1.00 0.00 H new ATOM 0 HA3 GLY A 92 5.733 9.058 -8.352 1.00 0.00 H new ATOM 1394 N TYR A 93 6.824 9.746 -5.995 1.00 0.00 N ATOM 1395 CA TYR A 93 7.098 9.801 -4.564 1.00 0.00 C ATOM 1396 C TYR A 93 6.192 10.800 -3.847 1.00 0.00 C ATOM 1397 O TYR A 93 5.682 11.740 -4.464 1.00 0.00 O ATOM 1398 CB TYR A 93 8.578 10.145 -4.313 1.00 0.00 C ATOM 1399 CG TYR A 93 9.186 11.313 -5.077 1.00 0.00 C ATOM 1400 CD1 TYR A 93 8.849 12.643 -4.754 1.00 0.00 C ATOM 1401 CD2 TYR A 93 10.158 11.068 -6.067 1.00 0.00 C ATOM 1402 CE1 TYR A 93 9.471 13.718 -5.413 1.00 0.00 C ATOM 1403 CE2 TYR A 93 10.796 12.137 -6.720 1.00 0.00 C ATOM 1404 CZ TYR A 93 10.455 13.470 -6.398 1.00 0.00 C ATOM 1405 OH TYR A 93 11.079 14.499 -7.037 1.00 0.00 O ATOM 0 H TYR A 93 6.373 10.585 -6.359 1.00 0.00 H new ATOM 0 HA TYR A 93 6.886 8.814 -4.154 1.00 0.00 H new ATOM 0 HB2 TYR A 93 8.697 10.346 -3.248 1.00 0.00 H new ATOM 0 HB3 TYR A 93 9.169 9.257 -4.538 1.00 0.00 H new ATOM 0 HD1 TYR A 93 8.107 12.838 -3.994 1.00 0.00 H new ATOM 0 HD2 TYR A 93 10.415 10.051 -6.326 1.00 0.00 H new ATOM 0 HE1 TYR A 93 9.197 14.733 -5.167 1.00 0.00 H new ATOM 0 HE2 TYR A 93 11.548 11.939 -7.469 1.00 0.00 H new ATOM 0 HH TYR A 93 11.726 14.141 -7.680 1.00 0.00 H new ATOM 1415 N SER A 94 5.995 10.586 -2.544 1.00 0.00 N ATOM 1416 CA SER A 94 5.369 11.558 -1.652 1.00 0.00 C ATOM 1417 C SER A 94 6.413 12.648 -1.366 1.00 0.00 C ATOM 1418 O SER A 94 7.611 12.420 -1.567 1.00 0.00 O ATOM 1419 CB SER A 94 4.922 10.826 -0.376 1.00 0.00 C ATOM 1420 OG SER A 94 4.708 11.690 0.717 1.00 0.00 O ATOM 0 H SER A 94 6.270 9.722 -2.076 1.00 0.00 H new ATOM 0 HA SER A 94 4.486 12.025 -2.089 1.00 0.00 H new ATOM 0 HB2 SER A 94 4.002 10.279 -0.583 1.00 0.00 H new ATOM 0 HB3 SER A 94 5.678 10.089 -0.105 1.00 0.00 H new ATOM 0 HG SER A 94 3.748 11.865 0.813 1.00 0.00 H new ATOM 1426 N MET A 95 5.998 13.802 -0.834 1.00 0.00 N ATOM 1427 CA MET A 95 6.931 14.814 -0.345 1.00 0.00 C ATOM 1428 C MET A 95 6.913 14.888 1.182 1.00 0.00 C ATOM 1429 O MET A 95 7.961 15.166 1.770 1.00 0.00 O ATOM 1430 CB MET A 95 6.678 16.179 -0.998 1.00 0.00 C ATOM 1431 CG MET A 95 5.312 16.778 -0.649 1.00 0.00 C ATOM 1432 SD MET A 95 5.003 18.424 -1.359 1.00 0.00 S ATOM 1433 CE MET A 95 6.132 19.444 -0.367 1.00 0.00 C ATOM 0 H MET A 95 5.016 14.056 -0.732 1.00 0.00 H new ATOM 0 HA MET A 95 7.936 14.512 -0.639 1.00 0.00 H new ATOM 0 HB2 MET A 95 7.460 16.872 -0.688 1.00 0.00 H new ATOM 0 HB3 MET A 95 6.755 16.075 -2.080 1.00 0.00 H new ATOM 0 HG2 MET A 95 4.533 16.097 -0.992 1.00 0.00 H new ATOM 0 HG3 MET A 95 5.225 16.842 0.436 1.00 0.00 H new ATOM 0 HE1 MET A 95 5.956 20.498 -0.584 1.00 0.00 H new ATOM 0 HE2 MET A 95 5.955 19.257 0.692 1.00 0.00 H new ATOM 0 HE3 MET A 95 7.163 19.190 -0.613 1.00 0.00 H new ATOM 1443 N ALA A 96 5.785 14.600 1.844 1.00 0.00 N ATOM 1444 CA ALA A 96 5.760 14.520 3.301 1.00 0.00 C ATOM 1445 C ALA A 96 6.435 13.236 3.804 1.00 0.00 C ATOM 1446 O ALA A 96 6.951 13.229 4.925 1.00 0.00 O ATOM 1447 CB ALA A 96 4.322 14.611 3.813 1.00 0.00 C ATOM 0 H ALA A 96 4.887 14.421 1.394 1.00 0.00 H new ATOM 0 HA ALA A 96 6.326 15.365 3.694 1.00 0.00 H new ATOM 0 HB1 ALA A 96 4.319 14.550 4.901 1.00 0.00 H new ATOM 0 HB2 ALA A 96 3.884 15.559 3.501 1.00 0.00 H new ATOM 0 HB3 ALA A 96 3.737 13.789 3.402 1.00 0.00 H new ATOM 1453 N TYR A 97 6.462 12.172 2.991 1.00 0.00 N ATOM 1454 CA TYR A 97 6.876 10.833 3.412 1.00 0.00 C ATOM 1455 C TYR A 97 7.884 10.185 2.449 1.00 0.00 C ATOM 1456 O TYR A 97 8.453 9.145 2.783 1.00 0.00 O ATOM 1457 CB TYR A 97 5.627 9.951 3.582 1.00 0.00 C ATOM 1458 CG TYR A 97 4.494 10.599 4.365 1.00 0.00 C ATOM 1459 CD1 TYR A 97 4.584 10.741 5.763 1.00 0.00 C ATOM 1460 CD2 TYR A 97 3.364 11.098 3.690 1.00 0.00 C ATOM 1461 CE1 TYR A 97 3.538 11.340 6.489 1.00 0.00 C ATOM 1462 CE2 TYR A 97 2.313 11.687 4.406 1.00 0.00 C ATOM 1463 CZ TYR A 97 2.389 11.811 5.811 1.00 0.00 C ATOM 1464 OH TYR A 97 1.366 12.407 6.487 1.00 0.00 O ATOM 0 H TYR A 97 6.192 12.221 2.009 1.00 0.00 H new ATOM 0 HA TYR A 97 7.397 10.928 4.365 1.00 0.00 H new ATOM 0 HB2 TYR A 97 5.257 9.674 2.595 1.00 0.00 H new ATOM 0 HB3 TYR A 97 5.916 9.028 4.084 1.00 0.00 H new ATOM 0 HD1 TYR A 97 5.463 10.387 6.282 1.00 0.00 H new ATOM 0 HD2 TYR A 97 3.307 11.027 2.614 1.00 0.00 H new ATOM 0 HE1 TYR A 97 3.612 11.440 7.562 1.00 0.00 H new ATOM 0 HE2 TYR A 97 1.441 12.048 3.881 1.00 0.00 H new ATOM 0 HH TYR A 97 0.663 12.666 5.855 1.00 0.00 H new ATOM 1474 N GLY A 98 8.157 10.803 1.294 1.00 0.00 N ATOM 1475 CA GLY A 98 9.215 10.375 0.382 1.00 0.00 C ATOM 1476 C GLY A 98 8.846 9.140 -0.451 1.00 0.00 C ATOM 1477 O GLY A 98 7.713 8.650 -0.380 1.00 0.00 O ATOM 0 H GLY A 98 7.643 11.621 0.967 1.00 0.00 H new ATOM 0 HA2 GLY A 98 9.458 11.197 -0.291 1.00 0.00 H new ATOM 0 HA3 GLY A 98 10.114 10.159 0.958 1.00 0.00 H new ATOM 1481 N PRO A 99 9.784 8.639 -1.277 1.00 0.00 N ATOM 1482 CA PRO A 99 9.588 7.427 -2.061 1.00 0.00 C ATOM 1483 C PRO A 99 9.492 6.208 -1.143 1.00 0.00 C ATOM 1484 O PRO A 99 10.291 6.046 -0.216 1.00 0.00 O ATOM 1485 CB PRO A 99 10.811 7.313 -2.981 1.00 0.00 C ATOM 1486 CG PRO A 99 11.894 8.115 -2.261 1.00 0.00 C ATOM 1487 CD PRO A 99 11.112 9.191 -1.508 1.00 0.00 C ATOM 0 HA PRO A 99 8.663 7.469 -2.635 1.00 0.00 H new ATOM 0 HB2 PRO A 99 11.110 6.274 -3.120 1.00 0.00 H new ATOM 0 HB3 PRO A 99 10.605 7.720 -3.971 1.00 0.00 H new ATOM 0 HG2 PRO A 99 12.469 7.488 -1.580 1.00 0.00 H new ATOM 0 HG3 PRO A 99 12.601 8.554 -2.965 1.00 0.00 H new ATOM 0 HD2 PRO A 99 11.600 9.439 -0.566 1.00 0.00 H new ATOM 0 HD3 PRO A 99 11.056 10.111 -2.090 1.00 0.00 H new ATOM 1495 N ALA A 100 8.526 5.336 -1.421 1.00 0.00 N ATOM 1496 CA ALA A 100 8.444 4.027 -0.793 1.00 0.00 C ATOM 1497 C ALA A 100 9.483 3.082 -1.406 1.00 0.00 C ATOM 1498 O ALA A 100 10.052 3.360 -2.466 1.00 0.00 O ATOM 1499 CB ALA A 100 7.058 3.448 -1.065 1.00 0.00 C ATOM 0 H ALA A 100 7.778 5.521 -2.090 1.00 0.00 H new ATOM 0 HA ALA A 100 8.628 4.128 0.277 1.00 0.00 H new ATOM 0 HB1 ALA A 100 6.977 2.465 -0.601 1.00 0.00 H new ATOM 0 HB2 ALA A 100 6.299 4.110 -0.648 1.00 0.00 H new ATOM 0 HB3 ALA A 100 6.907 3.355 -2.141 1.00 0.00 H new ATOM 1505 N GLN A 101 9.693 1.929 -0.763 1.00 0.00 N ATOM 1506 CA GLN A 101 10.458 0.837 -1.348 1.00 0.00 C ATOM 1507 C GLN A 101 9.509 0.141 -2.320 1.00 0.00 C ATOM 1508 O GLN A 101 8.875 -0.855 -1.970 1.00 0.00 O ATOM 1509 CB GLN A 101 10.977 -0.142 -0.281 1.00 0.00 C ATOM 1510 CG GLN A 101 12.074 0.450 0.606 1.00 0.00 C ATOM 1511 CD GLN A 101 13.302 0.911 -0.185 1.00 0.00 C ATOM 1512 OE1 GLN A 101 13.938 0.133 -0.892 1.00 0.00 O ATOM 1513 NE2 GLN A 101 13.658 2.183 -0.105 1.00 0.00 N ATOM 0 H GLN A 101 9.337 1.732 0.173 1.00 0.00 H new ATOM 0 HA GLN A 101 11.348 1.213 -1.852 1.00 0.00 H new ATOM 0 HB2 GLN A 101 10.144 -0.458 0.347 1.00 0.00 H new ATOM 0 HB3 GLN A 101 11.361 -1.035 -0.774 1.00 0.00 H new ATOM 0 HG2 GLN A 101 11.668 1.296 1.160 1.00 0.00 H new ATOM 0 HG3 GLN A 101 12.381 -0.295 1.340 1.00 0.00 H new ATOM 0 HE21 GLN A 101 13.127 2.825 0.483 1.00 0.00 H new ATOM 0 HE22 GLN A 101 14.463 2.521 -0.632 1.00 0.00 H new ATOM 1522 N HIS A 102 9.385 0.682 -3.533 1.00 0.00 N ATOM 1523 CA HIS A 102 8.463 0.185 -4.551 1.00 0.00 C ATOM 1524 C HIS A 102 8.688 -1.290 -4.915 1.00 0.00 C ATOM 1525 O HIS A 102 7.796 -1.914 -5.485 1.00 0.00 O ATOM 1526 CB HIS A 102 8.503 1.101 -5.778 1.00 0.00 C ATOM 1527 CG HIS A 102 8.011 2.492 -5.462 1.00 0.00 C ATOM 1528 ND1 HIS A 102 6.756 2.810 -5.020 1.00 0.00 N flip ATOM 1529 CD2 HIS A 102 8.749 3.656 -5.443 1.00 0.00 C flip ATOM 1530 CE1 HIS A 102 6.716 4.179 -4.745 1.00 0.00 C flip ATOM 1531 NE2 HIS A 102 7.950 4.642 -4.997 1.00 0.00 N flip ATOM 0 H HIS A 102 9.930 1.488 -3.838 1.00 0.00 H new ATOM 0 HA HIS A 102 7.460 0.213 -4.125 1.00 0.00 H new ATOM 0 HB2 HIS A 102 9.524 1.155 -6.157 1.00 0.00 H new ATOM 0 HB3 HIS A 102 7.891 0.671 -6.571 1.00 0.00 H new ATOM 0 HD2 HIS A 102 9.784 3.758 -5.734 1.00 0.00 H new ATOM 0 HE1 HIS A 102 5.866 4.748 -4.400 1.00 0.00 H new ATOM 0 HE2 HIS A 102 8.243 5.611 -4.868 1.00 0.00 H new ATOM 1539 N ALA A 103 9.838 -1.855 -4.531 1.00 0.00 N ATOM 1540 CA ALA A 103 10.138 -3.277 -4.599 1.00 0.00 C ATOM 1541 C ALA A 103 9.099 -4.101 -3.828 1.00 0.00 C ATOM 1542 O ALA A 103 8.642 -5.139 -4.309 1.00 0.00 O ATOM 1543 CB ALA A 103 11.535 -3.496 -3.996 1.00 0.00 C ATOM 0 H ALA A 103 10.610 -1.308 -4.151 1.00 0.00 H new ATOM 0 HA ALA A 103 10.110 -3.606 -5.638 1.00 0.00 H new ATOM 0 HB1 ALA A 103 11.786 -4.556 -4.034 1.00 0.00 H new ATOM 0 HB2 ALA A 103 12.270 -2.928 -4.566 1.00 0.00 H new ATOM 0 HB3 ALA A 103 11.541 -3.159 -2.959 1.00 0.00 H new ATOM 1549 N ILE A 104 8.726 -3.648 -2.625 1.00 0.00 N ATOM 1550 CA ILE A 104 7.722 -4.309 -1.804 1.00 0.00 C ATOM 1551 C ILE A 104 6.389 -4.227 -2.555 1.00 0.00 C ATOM 1552 O ILE A 104 5.701 -5.239 -2.700 1.00 0.00 O ATOM 1553 CB ILE A 104 7.660 -3.651 -0.400 1.00 0.00 C ATOM 1554 CG1 ILE A 104 9.045 -3.645 0.291 1.00 0.00 C ATOM 1555 CG2 ILE A 104 6.627 -4.375 0.485 1.00 0.00 C ATOM 1556 CD1 ILE A 104 9.065 -2.895 1.628 1.00 0.00 C ATOM 0 H ILE A 104 9.118 -2.809 -2.198 1.00 0.00 H new ATOM 0 HA ILE A 104 7.970 -5.357 -1.636 1.00 0.00 H new ATOM 0 HB ILE A 104 7.352 -2.614 -0.535 1.00 0.00 H new ATOM 0 HG12 ILE A 104 9.362 -4.674 0.458 1.00 0.00 H new ATOM 0 HG13 ILE A 104 9.774 -3.191 -0.381 1.00 0.00 H new ATOM 0 HG21 ILE A 104 6.594 -3.903 1.467 1.00 0.00 H new ATOM 0 HG22 ILE A 104 5.643 -4.314 0.020 1.00 0.00 H new ATOM 0 HG23 ILE A 104 6.912 -5.421 0.595 1.00 0.00 H new ATOM 0 HD11 ILE A 104 10.068 -2.934 2.052 1.00 0.00 H new ATOM 0 HD12 ILE A 104 8.779 -1.856 1.466 1.00 0.00 H new ATOM 0 HD13 ILE A 104 8.361 -3.362 2.317 1.00 0.00 H new ATOM 1568 N SER A 105 6.044 -3.041 -3.063 1.00 0.00 N ATOM 1569 CA SER A 105 4.782 -2.786 -3.730 1.00 0.00 C ATOM 1570 C SER A 105 4.599 -3.716 -4.921 1.00 0.00 C ATOM 1571 O SER A 105 3.564 -4.371 -5.015 1.00 0.00 O ATOM 1572 CB SER A 105 4.710 -1.323 -4.179 1.00 0.00 C ATOM 1573 OG SER A 105 5.394 -0.501 -3.254 1.00 0.00 O ATOM 0 H SER A 105 6.650 -2.222 -3.017 1.00 0.00 H new ATOM 0 HA SER A 105 3.975 -2.979 -3.023 1.00 0.00 H new ATOM 0 HB2 SER A 105 5.151 -1.216 -5.170 1.00 0.00 H new ATOM 0 HB3 SER A 105 3.669 -1.009 -4.258 1.00 0.00 H new ATOM 0 HG SER A 105 4.963 0.379 -3.217 1.00 0.00 H new ATOM 1579 N THR A 106 5.582 -3.811 -5.819 1.00 0.00 N ATOM 1580 CA THR A 106 5.418 -4.596 -7.027 1.00 0.00 C ATOM 1581 C THR A 106 5.260 -6.068 -6.690 1.00 0.00 C ATOM 1582 O THR A 106 4.321 -6.680 -7.189 1.00 0.00 O ATOM 1583 CB THR A 106 6.572 -4.352 -8.005 1.00 0.00 C ATOM 1584 OG1 THR A 106 7.823 -4.378 -7.347 1.00 0.00 O ATOM 1585 CG2 THR A 106 6.371 -2.992 -8.663 1.00 0.00 C ATOM 0 H THR A 106 6.490 -3.355 -5.727 1.00 0.00 H new ATOM 0 HA THR A 106 4.504 -4.274 -7.527 1.00 0.00 H new ATOM 0 HB THR A 106 6.572 -5.146 -8.752 1.00 0.00 H new ATOM 0 HG1 THR A 106 8.435 -3.750 -7.784 1.00 0.00 H new ATOM 0 HG21 THR A 106 7.185 -2.803 -9.363 1.00 0.00 H new ATOM 0 HG22 THR A 106 5.422 -2.984 -9.199 1.00 0.00 H new ATOM 0 HG23 THR A 106 6.362 -2.215 -7.898 1.00 0.00 H new ATOM 1593 N GLU A 107 6.100 -6.633 -5.820 1.00 0.00 N ATOM 1594 CA GLU A 107 5.993 -8.046 -5.482 1.00 0.00 C ATOM 1595 C GLU A 107 4.620 -8.352 -4.871 1.00 0.00 C ATOM 1596 O GLU A 107 3.998 -9.355 -5.231 1.00 0.00 O ATOM 1597 CB GLU A 107 7.146 -8.467 -4.559 1.00 0.00 C ATOM 1598 CG GLU A 107 8.521 -8.420 -5.251 1.00 0.00 C ATOM 1599 CD GLU A 107 8.619 -9.366 -6.460 1.00 0.00 C ATOM 1600 OE1 GLU A 107 8.750 -10.597 -6.266 1.00 0.00 O ATOM 1601 OE2 GLU A 107 8.584 -8.880 -7.613 1.00 0.00 O ATOM 0 H GLU A 107 6.853 -6.137 -5.343 1.00 0.00 H new ATOM 0 HA GLU A 107 6.077 -8.636 -6.395 1.00 0.00 H new ATOM 0 HB2 GLU A 107 7.162 -7.814 -3.687 1.00 0.00 H new ATOM 0 HB3 GLU A 107 6.963 -9.478 -4.196 1.00 0.00 H new ATOM 0 HG2 GLU A 107 8.722 -7.400 -5.578 1.00 0.00 H new ATOM 0 HG3 GLU A 107 9.294 -8.682 -4.529 1.00 0.00 H new ATOM 1608 N LYS A 108 4.098 -7.467 -4.013 1.00 0.00 N ATOM 1609 CA LYS A 108 2.766 -7.636 -3.441 1.00 0.00 C ATOM 1610 C LYS A 108 1.680 -7.522 -4.510 1.00 0.00 C ATOM 1611 O LYS A 108 0.795 -8.374 -4.554 1.00 0.00 O ATOM 1612 CB LYS A 108 2.540 -6.620 -2.313 1.00 0.00 C ATOM 1613 CG LYS A 108 3.348 -6.964 -1.056 1.00 0.00 C ATOM 1614 CD LYS A 108 3.053 -5.957 0.064 1.00 0.00 C ATOM 1615 CE LYS A 108 3.754 -6.376 1.359 1.00 0.00 C ATOM 1616 NZ LYS A 108 3.005 -7.425 2.087 1.00 0.00 N ATOM 0 H LYS A 108 4.583 -6.626 -3.702 1.00 0.00 H new ATOM 0 HA LYS A 108 2.702 -8.640 -3.021 1.00 0.00 H new ATOM 0 HB2 LYS A 108 2.818 -5.625 -2.661 1.00 0.00 H new ATOM 0 HB3 LYS A 108 1.479 -6.586 -2.064 1.00 0.00 H new ATOM 0 HG2 LYS A 108 3.101 -7.972 -0.722 1.00 0.00 H new ATOM 0 HG3 LYS A 108 4.413 -6.958 -1.288 1.00 0.00 H new ATOM 0 HD2 LYS A 108 3.389 -4.964 -0.234 1.00 0.00 H new ATOM 0 HD3 LYS A 108 1.978 -5.893 0.230 1.00 0.00 H new ATOM 0 HE2 LYS A 108 4.754 -6.741 1.127 1.00 0.00 H new ATOM 0 HE3 LYS A 108 3.874 -5.505 2.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 3.675 -8.073 2.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 2.399 -6.982 2.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 2.414 -7.958 1.417 1.00 0.00 H new ATOM 1630 N ILE A 109 1.718 -6.506 -5.377 1.00 0.00 N ATOM 1631 CA ILE A 109 0.685 -6.303 -6.395 1.00 0.00 C ATOM 1632 C ILE A 109 0.715 -7.482 -7.387 1.00 0.00 C ATOM 1633 O ILE A 109 -0.349 -7.991 -7.741 1.00 0.00 O ATOM 1634 CB ILE A 109 0.829 -4.905 -7.059 1.00 0.00 C ATOM 1635 CG1 ILE A 109 0.649 -3.755 -6.032 1.00 0.00 C ATOM 1636 CG2 ILE A 109 -0.230 -4.683 -8.163 1.00 0.00 C ATOM 1637 CD1 ILE A 109 1.240 -2.424 -6.521 1.00 0.00 C ATOM 0 H ILE A 109 2.460 -5.806 -5.393 1.00 0.00 H new ATOM 0 HA ILE A 109 -0.305 -6.298 -5.940 1.00 0.00 H new ATOM 0 HB ILE A 109 1.834 -4.888 -7.480 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -0.413 -3.622 -5.825 1.00 0.00 H new ATOM 0 HG13 ILE A 109 1.125 -4.035 -5.092 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -0.096 -3.695 -8.602 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -0.114 -5.443 -8.936 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -1.228 -4.755 -7.730 1.00 0.00 H new ATOM 0 HD11 ILE A 109 1.085 -1.657 -5.763 1.00 0.00 H new ATOM 0 HD12 ILE A 109 2.308 -2.545 -6.702 1.00 0.00 H new ATOM 0 HD13 ILE A 109 0.747 -2.125 -7.446 1.00 0.00 H new ATOM 1649 N LYS A 110 1.897 -7.981 -7.784 1.00 0.00 N ATOM 1650 CA LYS A 110 2.013 -9.170 -8.638 1.00 0.00 C ATOM 1651 C LYS A 110 1.338 -10.359 -7.954 1.00 0.00 C ATOM 1652 O LYS A 110 0.551 -11.056 -8.590 1.00 0.00 O ATOM 1653 CB LYS A 110 3.484 -9.529 -8.925 1.00 0.00 C ATOM 1654 CG LYS A 110 4.285 -8.553 -9.804 1.00 0.00 C ATOM 1655 CD LYS A 110 5.768 -8.952 -9.752 1.00 0.00 C ATOM 1656 CE LYS A 110 6.681 -7.942 -10.454 1.00 0.00 C ATOM 1657 NZ LYS A 110 8.111 -8.292 -10.280 1.00 0.00 N ATOM 0 H LYS A 110 2.794 -7.572 -7.522 1.00 0.00 H new ATOM 0 HA LYS A 110 1.525 -8.944 -9.586 1.00 0.00 H new ATOM 0 HB2 LYS A 110 4.001 -9.627 -7.970 1.00 0.00 H new ATOM 0 HB3 LYS A 110 3.506 -10.509 -9.401 1.00 0.00 H new ATOM 0 HG2 LYS A 110 3.921 -8.583 -10.831 1.00 0.00 H new ATOM 0 HG3 LYS A 110 4.155 -7.531 -9.449 1.00 0.00 H new ATOM 0 HD2 LYS A 110 6.076 -9.051 -8.711 1.00 0.00 H new ATOM 0 HD3 LYS A 110 5.892 -9.931 -10.216 1.00 0.00 H new ATOM 0 HE2 LYS A 110 6.440 -7.909 -11.516 1.00 0.00 H new ATOM 0 HE3 LYS A 110 6.498 -6.945 -10.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 8.704 -7.521 -10.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 8.314 -8.433 -9.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 8.320 -9.168 -10.800 1.00 0.00 H new ATOM 1786 N VAL A 118 3.620 -6.286 -13.008 1.00 0.00 N ATOM 1787 CA VAL A 118 3.815 -4.984 -12.392 1.00 0.00 C ATOM 1788 C VAL A 118 5.312 -4.679 -12.438 1.00 0.00 C ATOM 1789 O VAL A 118 6.119 -5.583 -12.208 1.00 0.00 O ATOM 1790 CB VAL A 118 3.312 -4.998 -10.928 1.00 0.00 C ATOM 1791 CG1 VAL A 118 3.023 -3.576 -10.429 1.00 0.00 C ATOM 1792 CG2 VAL A 118 2.049 -5.842 -10.685 1.00 0.00 C ATOM 0 HA VAL A 118 3.251 -4.219 -12.925 1.00 0.00 H new ATOM 0 HB VAL A 118 4.130 -5.461 -10.375 1.00 0.00 H new ATOM 0 HG11 VAL A 118 2.671 -3.617 -9.398 1.00 0.00 H new ATOM 0 HG12 VAL A 118 3.935 -2.981 -10.478 1.00 0.00 H new ATOM 0 HG13 VAL A 118 2.257 -3.119 -11.056 1.00 0.00 H new ATOM 0 HG21 VAL A 118 1.774 -5.790 -9.632 1.00 0.00 H new ATOM 0 HG22 VAL A 118 1.231 -5.456 -11.293 1.00 0.00 H new ATOM 0 HG23 VAL A 118 2.246 -6.879 -10.958 1.00 0.00 H new ATOM 1802 N THR A 119 5.690 -3.427 -12.678 1.00 0.00 N ATOM 1803 CA THR A 119 7.077 -2.970 -12.690 1.00 0.00 C ATOM 1804 C THR A 119 7.188 -1.658 -11.903 1.00 0.00 C ATOM 1805 O THR A 119 6.172 -1.083 -11.500 1.00 0.00 O ATOM 1806 CB THR A 119 7.560 -2.841 -14.150 1.00 0.00 C ATOM 1807 OG1 THR A 119 6.600 -2.175 -14.956 1.00 0.00 O ATOM 1808 CG2 THR A 119 7.837 -4.221 -14.752 1.00 0.00 C ATOM 0 H THR A 119 5.022 -2.682 -12.875 1.00 0.00 H new ATOM 0 HA THR A 119 7.729 -3.693 -12.199 1.00 0.00 H new ATOM 0 HB THR A 119 8.479 -2.255 -14.133 1.00 0.00 H new ATOM 0 HG1 THR A 119 6.657 -1.209 -14.802 1.00 0.00 H new ATOM 0 HG21 THR A 119 8.176 -4.107 -15.782 1.00 0.00 H new ATOM 0 HG22 THR A 119 8.608 -4.724 -14.169 1.00 0.00 H new ATOM 0 HG23 THR A 119 6.924 -4.816 -14.735 1.00 0.00 H new ATOM 1816 N TRP A 120 8.409 -1.177 -11.659 1.00 0.00 N ATOM 1817 CA TRP A 120 8.629 0.121 -11.035 1.00 0.00 C ATOM 1818 C TRP A 120 9.855 0.802 -11.627 1.00 0.00 C ATOM 1819 O TRP A 120 10.694 0.151 -12.256 1.00 0.00 O ATOM 1820 CB TRP A 120 8.748 0.005 -9.504 1.00 0.00 C ATOM 1821 CG TRP A 120 9.925 -0.735 -8.941 1.00 0.00 C ATOM 1822 CD1 TRP A 120 10.086 -2.077 -8.928 1.00 0.00 C ATOM 1823 CD2 TRP A 120 11.096 -0.194 -8.250 1.00 0.00 C ATOM 1824 NE1 TRP A 120 11.252 -2.406 -8.271 1.00 0.00 N ATOM 1825 CE2 TRP A 120 11.905 -1.285 -7.808 1.00 0.00 C ATOM 1826 CE3 TRP A 120 11.548 1.107 -7.931 1.00 0.00 C ATOM 1827 CZ2 TRP A 120 13.084 -1.097 -7.070 1.00 0.00 C ATOM 1828 CZ3 TRP A 120 12.724 1.304 -7.181 1.00 0.00 C ATOM 1829 CH2 TRP A 120 13.491 0.208 -6.751 1.00 0.00 C ATOM 0 H TRP A 120 9.268 -1.677 -11.889 1.00 0.00 H new ATOM 0 HA TRP A 120 7.757 0.740 -11.246 1.00 0.00 H new ATOM 0 HB2 TRP A 120 8.761 1.015 -9.093 1.00 0.00 H new ATOM 0 HB3 TRP A 120 7.843 -0.478 -9.135 1.00 0.00 H new ATOM 0 HD1 TRP A 120 9.401 -2.787 -9.368 1.00 0.00 H new ATOM 0 HE1 TRP A 120 11.589 -3.360 -8.144 1.00 0.00 H new ATOM 0 HE3 TRP A 120 10.983 1.963 -8.268 1.00 0.00 H new ATOM 0 HZ2 TRP A 120 13.671 -1.946 -6.752 1.00 0.00 H new ATOM 0 HZ3 TRP A 120 13.039 2.307 -6.934 1.00 0.00 H new ATOM 0 HH2 TRP A 120 14.391 0.369 -6.177 1.00 0.00 H new