USER MOD reduce.3.24.130724 H: found=0, std=0, add=425, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 426 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 9 ASN :FLIP amide:sc= 0.0931 F(o=-1.7,f=-0.31) USER MOD Set 1.2: A 56 THR OG1 : rot -78:sc= -0.404 USER MOD Set 2.1: A 50 THR OG1 : rot 90:sc= 0.42 USER MOD Set 2.2: A 52 THR OG1 : rot 180:sc= 0.433 USER MOD Set 3.1: A 45 THR OG1 : rot 180:sc= -0.54 USER MOD Set 3.2: A 54 THR OG1 : rot 116:sc= 0.395 USER MOD Single : A 2 THR OG1 : rot 42:sc= 0.221 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 161:sc= 0.116 (180deg=0.05) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.0634 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0.0522 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -0.0191 K(o=-0.019,f=-2.1!) USER MOD Single : A 34 TYR OH : rot 130:sc= -1.96! USER MOD Single : A 36 ASN : amide:sc= 0.112 X(o=0.11,f=-0.1) USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 TYR OH : rot 180:sc= -1.32 USER MOD Single : A 51 LYS NZ :NH3+ -123:sc= 0 (180deg=-0.0112) USER MOD ----------------------------------------------------------------- ATOM 20 N THR A 2 -3.051 -12.226 6.703 1.00 0.00 N ATOM 21 CA THR A 2 -3.184 -11.250 5.580 1.00 0.00 C ATOM 22 C THR A 2 -2.099 -10.175 5.674 1.00 0.00 C ATOM 23 O THR A 2 -2.309 -9.123 6.247 1.00 0.00 O ATOM 24 CB THR A 2 -4.569 -10.625 5.756 1.00 0.00 C ATOM 25 OG1 THR A 2 -5.555 -11.647 5.722 1.00 0.00 O ATOM 26 CG2 THR A 2 -4.828 -9.626 4.624 1.00 0.00 C ATOM 0 HA THR A 2 -3.072 -11.729 4.608 1.00 0.00 H new ATOM 0 HB THR A 2 -4.615 -10.106 6.713 1.00 0.00 H new ATOM 0 HG1 THR A 2 -5.241 -12.422 6.233 1.00 0.00 H new ATOM 0 HG21 THR A 2 -5.815 -9.181 4.750 1.00 0.00 H new ATOM 0 HG22 THR A 2 -4.071 -8.842 4.650 1.00 0.00 H new ATOM 0 HG23 THR A 2 -4.783 -10.143 3.665 1.00 0.00 H new ATOM 34 N THR A 3 -0.948 -10.426 5.104 1.00 0.00 N ATOM 35 CA THR A 3 0.145 -9.411 5.147 1.00 0.00 C ATOM 36 C THR A 3 0.347 -8.809 3.757 1.00 0.00 C ATOM 37 O THR A 3 0.638 -9.509 2.806 1.00 0.00 O ATOM 38 CB THR A 3 1.396 -10.168 5.591 1.00 0.00 C ATOM 39 OG1 THR A 3 1.089 -10.959 6.731 1.00 0.00 O ATOM 40 CG2 THR A 3 2.502 -9.167 5.944 1.00 0.00 C ATOM 0 H THR A 3 -0.719 -11.289 4.611 1.00 0.00 H new ATOM 0 HA THR A 3 -0.084 -8.591 5.827 1.00 0.00 H new ATOM 0 HB THR A 3 1.738 -10.813 4.782 1.00 0.00 H new ATOM 0 HG1 THR A 3 1.890 -11.447 7.016 1.00 0.00 H new ATOM 0 HG21 THR A 3 3.394 -9.707 6.261 1.00 0.00 H new ATOM 0 HG22 THR A 3 2.736 -8.560 5.069 1.00 0.00 H new ATOM 0 HG23 THR A 3 2.163 -8.521 6.753 1.00 0.00 H new ATOM 48 N PHE A 4 0.194 -7.516 3.634 1.00 0.00 N ATOM 49 CA PHE A 4 0.377 -6.862 2.304 1.00 0.00 C ATOM 50 C PHE A 4 1.588 -5.933 2.334 1.00 0.00 C ATOM 51 O PHE A 4 1.681 -5.055 3.167 1.00 0.00 O ATOM 52 CB PHE A 4 -0.904 -6.062 2.067 1.00 0.00 C ATOM 53 CG PHE A 4 -1.990 -6.987 1.583 1.00 0.00 C ATOM 54 CD1 PHE A 4 -1.884 -7.584 0.321 1.00 0.00 C ATOM 55 CD2 PHE A 4 -3.098 -7.258 2.396 1.00 0.00 C ATOM 56 CE1 PHE A 4 -2.885 -8.452 -0.127 1.00 0.00 C ATOM 57 CE2 PHE A 4 -4.096 -8.125 1.943 1.00 0.00 C ATOM 58 CZ PHE A 4 -3.990 -8.723 0.683 1.00 0.00 C ATOM 0 H PHE A 4 -0.050 -6.885 4.397 1.00 0.00 H new ATOM 0 HA PHE A 4 0.552 -7.590 1.512 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -1.214 -5.570 2.989 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -0.725 -5.277 1.332 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -1.030 -7.374 -0.306 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -3.181 -6.798 3.370 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -2.803 -8.913 -1.100 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -4.952 -8.334 2.568 1.00 0.00 H new ATOM 0 HZ PHE A 4 -4.762 -9.394 0.337 1.00 0.00 H new ATOM 68 N LYS A 5 2.511 -6.116 1.429 1.00 0.00 N ATOM 69 CA LYS A 5 3.716 -5.237 1.398 1.00 0.00 C ATOM 70 C LYS A 5 3.455 -4.051 0.471 1.00 0.00 C ATOM 71 O LYS A 5 2.443 -4.003 -0.204 1.00 0.00 O ATOM 72 CB LYS A 5 4.840 -6.119 0.851 1.00 0.00 C ATOM 73 CG LYS A 5 5.426 -6.976 1.982 1.00 0.00 C ATOM 74 CD LYS A 5 5.605 -8.419 1.499 1.00 0.00 C ATOM 75 CE LYS A 5 4.369 -9.240 1.874 1.00 0.00 C ATOM 76 NZ LYS A 5 4.288 -10.306 0.837 1.00 0.00 N ATOM 0 H LYS A 5 2.483 -6.837 0.708 1.00 0.00 H new ATOM 0 HA LYS A 5 3.969 -4.833 2.378 1.00 0.00 H new ATOM 0 HB2 LYS A 5 4.458 -6.761 0.057 1.00 0.00 H new ATOM 0 HB3 LYS A 5 5.620 -5.498 0.411 1.00 0.00 H new ATOM 0 HG2 LYS A 5 6.385 -6.568 2.301 1.00 0.00 H new ATOM 0 HG3 LYS A 5 4.765 -6.952 2.849 1.00 0.00 H new ATOM 0 HD2 LYS A 5 5.752 -8.437 0.419 1.00 0.00 H new ATOM 0 HD3 LYS A 5 6.496 -8.857 1.950 1.00 0.00 H new ATOM 0 HE2 LYS A 5 4.466 -9.667 2.872 1.00 0.00 H new ATOM 0 HE3 LYS A 5 3.471 -8.623 1.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 3.689 -11.083 1.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 3.876 -9.913 -0.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 5.242 -10.668 0.636 1.00 0.00 H new ATOM 90 N LEU A 6 4.349 -3.092 0.429 1.00 0.00 N ATOM 91 CA LEU A 6 4.123 -1.914 -0.462 1.00 0.00 C ATOM 92 C LEU A 6 5.445 -1.269 -0.872 1.00 0.00 C ATOM 93 O LEU A 6 6.126 -0.671 -0.061 1.00 0.00 O ATOM 94 CB LEU A 6 3.305 -0.921 0.380 1.00 0.00 C ATOM 95 CG LEU A 6 2.490 0.078 -0.491 1.00 0.00 C ATOM 96 CD1 LEU A 6 2.391 1.419 0.251 1.00 0.00 C ATOM 97 CD2 LEU A 6 3.140 0.331 -1.867 1.00 0.00 C ATOM 0 H LEU A 6 5.215 -3.075 0.967 1.00 0.00 H new ATOM 0 HA LEU A 6 3.614 -2.208 -1.380 1.00 0.00 H new ATOM 0 HB2 LEU A 6 2.623 -1.474 1.025 1.00 0.00 H new ATOM 0 HB3 LEU A 6 3.978 -0.363 1.031 1.00 0.00 H new ATOM 0 HG LEU A 6 1.507 -0.363 -0.659 1.00 0.00 H new ATOM 0 HD11 LEU A 6 1.821 2.127 -0.351 1.00 0.00 H new ATOM 0 HD12 LEU A 6 1.889 1.270 1.207 1.00 0.00 H new ATOM 0 HD13 LEU A 6 3.392 1.814 0.424 1.00 0.00 H new ATOM 0 HD21 LEU A 6 2.530 1.035 -2.433 1.00 0.00 H new ATOM 0 HD22 LEU A 6 4.138 0.746 -1.727 1.00 0.00 H new ATOM 0 HD23 LEU A 6 3.211 -0.609 -2.414 1.00 0.00 H new ATOM 109 N ILE A 7 5.786 -1.349 -2.131 1.00 0.00 N ATOM 110 CA ILE A 7 7.041 -0.702 -2.610 1.00 0.00 C ATOM 111 C ILE A 7 6.701 0.714 -3.076 1.00 0.00 C ATOM 112 O ILE A 7 5.949 0.893 -4.020 1.00 0.00 O ATOM 113 CB ILE A 7 7.523 -1.560 -3.782 1.00 0.00 C ATOM 114 CG1 ILE A 7 7.807 -2.981 -3.290 1.00 0.00 C ATOM 115 CG2 ILE A 7 8.805 -0.959 -4.362 1.00 0.00 C ATOM 116 CD1 ILE A 7 8.078 -3.893 -4.488 1.00 0.00 C ATOM 0 H ILE A 7 5.248 -1.835 -2.849 1.00 0.00 H new ATOM 0 HA ILE A 7 7.810 -0.632 -1.841 1.00 0.00 H new ATOM 0 HB ILE A 7 6.752 -1.587 -4.552 1.00 0.00 H new ATOM 0 HG12 ILE A 7 8.666 -2.980 -2.619 1.00 0.00 H new ATOM 0 HG13 ILE A 7 6.957 -3.356 -2.719 1.00 0.00 H new ATOM 0 HG21 ILE A 7 9.148 -1.570 -5.197 1.00 0.00 H new ATOM 0 HG22 ILE A 7 8.606 0.054 -4.712 1.00 0.00 H new ATOM 0 HG23 ILE A 7 9.575 -0.932 -3.591 1.00 0.00 H new ATOM 0 HD11 ILE A 7 8.280 -4.905 -4.137 1.00 0.00 H new ATOM 0 HD12 ILE A 7 7.206 -3.903 -5.142 1.00 0.00 H new ATOM 0 HD13 ILE A 7 8.941 -3.521 -5.040 1.00 0.00 H new ATOM 128 N ILE A 8 7.226 1.719 -2.421 1.00 0.00 N ATOM 129 CA ILE A 8 6.900 3.112 -2.840 1.00 0.00 C ATOM 130 C ILE A 8 7.886 3.563 -3.924 1.00 0.00 C ATOM 131 O ILE A 8 9.074 3.665 -3.682 1.00 0.00 O ATOM 132 CB ILE A 8 7.028 4.005 -1.592 1.00 0.00 C ATOM 133 CG1 ILE A 8 5.950 3.648 -0.564 1.00 0.00 C ATOM 134 CG2 ILE A 8 6.819 5.470 -1.989 1.00 0.00 C ATOM 135 CD1 ILE A 8 6.310 2.349 0.135 1.00 0.00 C ATOM 0 H ILE A 8 7.858 1.636 -1.625 1.00 0.00 H new ATOM 0 HA ILE A 8 5.892 3.176 -3.250 1.00 0.00 H new ATOM 0 HB ILE A 8 8.019 3.851 -1.164 1.00 0.00 H new ATOM 0 HG12 ILE A 8 5.854 4.450 0.168 1.00 0.00 H new ATOM 0 HG13 ILE A 8 4.983 3.549 -1.058 1.00 0.00 H new ATOM 0 HG21 ILE A 8 6.909 6.103 -1.106 1.00 0.00 H new ATOM 0 HG22 ILE A 8 7.572 5.759 -2.722 1.00 0.00 H new ATOM 0 HG23 ILE A 8 5.826 5.591 -2.422 1.00 0.00 H new ATOM 0 HD11 ILE A 8 5.538 2.102 0.864 1.00 0.00 H new ATOM 0 HD12 ILE A 8 6.383 1.548 -0.601 1.00 0.00 H new ATOM 0 HD13 ILE A 8 7.267 2.463 0.644 1.00 0.00 H new ATOM 147 N ASN A 9 7.407 3.838 -5.108 1.00 0.00 N ATOM 148 CA ASN A 9 8.323 4.289 -6.196 1.00 0.00 C ATOM 149 C ASN A 9 8.349 5.820 -6.259 1.00 0.00 C ATOM 150 O ASN A 9 7.997 6.417 -7.259 1.00 0.00 O ATOM 151 CB ASN A 9 7.737 3.700 -7.480 1.00 0.00 C ATOM 152 CG ASN A 9 8.685 3.977 -8.649 1.00 0.00 C ATOM 153 OD1 ASN A 9 8.467 5.007 -9.419 1.00 0.00 O flip ATOM 154 ND2 ASN A 9 9.633 3.248 -8.863 1.00 0.00 N flip ATOM 0 H ASN A 9 6.423 3.770 -5.368 1.00 0.00 H new ATOM 0 HA ASN A 9 9.351 3.962 -6.037 1.00 0.00 H new ATOM 0 HB2 ASN A 9 7.588 2.626 -7.365 1.00 0.00 H new ATOM 0 HB3 ASN A 9 6.759 4.138 -7.680 1.00 0.00 H new ATOM 0 HD21 ASN A 9 9.803 2.443 -8.261 1.00 0.00 H new ATOM 0 HD22 ASN A 9 10.259 3.441 -9.645 1.00 0.00 H new ATOM 161 N GLY A 10 8.763 6.457 -5.191 1.00 0.00 N ATOM 162 CA GLY A 10 8.814 7.951 -5.172 1.00 0.00 C ATOM 163 C GLY A 10 10.128 8.415 -4.539 1.00 0.00 C ATOM 164 O GLY A 10 11.161 7.796 -4.709 1.00 0.00 O ATOM 0 H GLY A 10 9.069 6.005 -4.329 1.00 0.00 H new ATOM 0 HA2 GLY A 10 8.731 8.340 -6.187 1.00 0.00 H new ATOM 0 HA3 GLY A 10 7.969 8.346 -4.609 1.00 0.00 H new ATOM 168 N LYS A 11 10.096 9.506 -3.812 1.00 0.00 N ATOM 169 CA LYS A 11 11.341 10.022 -3.166 1.00 0.00 C ATOM 170 C LYS A 11 11.098 10.318 -1.681 1.00 0.00 C ATOM 171 O LYS A 11 11.752 11.159 -1.093 1.00 0.00 O ATOM 172 CB LYS A 11 11.686 11.310 -3.926 1.00 0.00 C ATOM 173 CG LYS A 11 10.519 12.300 -3.843 1.00 0.00 C ATOM 174 CD LYS A 11 11.030 13.715 -4.119 1.00 0.00 C ATOM 175 CE LYS A 11 11.630 14.303 -2.838 1.00 0.00 C ATOM 176 NZ LYS A 11 12.893 14.963 -3.271 1.00 0.00 N ATOM 0 H LYS A 11 9.258 10.062 -3.639 1.00 0.00 H new ATOM 0 HA LYS A 11 12.152 9.295 -3.209 1.00 0.00 H new ATOM 0 HB2 LYS A 11 12.585 11.760 -3.505 1.00 0.00 H new ATOM 0 HB3 LYS A 11 11.903 11.079 -4.969 1.00 0.00 H new ATOM 0 HG2 LYS A 11 9.749 12.032 -4.567 1.00 0.00 H new ATOM 0 HG3 LYS A 11 10.059 12.254 -2.856 1.00 0.00 H new ATOM 0 HD2 LYS A 11 11.781 13.694 -4.908 1.00 0.00 H new ATOM 0 HD3 LYS A 11 10.214 14.345 -4.473 1.00 0.00 H new ATOM 0 HE2 LYS A 11 10.950 15.018 -2.376 1.00 0.00 H new ATOM 0 HE3 LYS A 11 11.824 13.525 -2.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 13.362 15.390 -2.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 13.524 14.257 -3.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 12.676 15.704 -3.968 1.00 0.00 H new ATOM 190 N THR A 12 10.163 9.631 -1.074 1.00 0.00 N ATOM 191 CA THR A 12 9.874 9.864 0.374 1.00 0.00 C ATOM 192 C THR A 12 9.606 8.536 1.078 1.00 0.00 C ATOM 193 O THR A 12 8.903 8.481 2.070 1.00 0.00 O ATOM 194 CB THR A 12 8.628 10.750 0.394 1.00 0.00 C ATOM 195 OG1 THR A 12 8.769 11.781 -0.573 1.00 0.00 O ATOM 196 CG2 THR A 12 8.460 11.366 1.783 1.00 0.00 C ATOM 0 H THR A 12 9.586 8.917 -1.520 1.00 0.00 H new ATOM 0 HA THR A 12 10.710 10.332 0.893 1.00 0.00 H new ATOM 0 HB THR A 12 7.749 10.150 0.159 1.00 0.00 H new ATOM 0 HG1 THR A 12 7.971 12.350 -0.564 1.00 0.00 H new ATOM 0 HG21 THR A 12 7.572 11.997 1.796 1.00 0.00 H new ATOM 0 HG22 THR A 12 8.352 10.572 2.522 1.00 0.00 H new ATOM 0 HG23 THR A 12 9.336 11.968 2.022 1.00 0.00 H new ATOM 204 N LEU A 13 10.167 7.464 0.575 1.00 0.00 N ATOM 205 CA LEU A 13 9.958 6.130 1.212 1.00 0.00 C ATOM 206 C LEU A 13 10.839 5.080 0.530 1.00 0.00 C ATOM 207 O LEU A 13 11.837 4.650 1.074 1.00 0.00 O ATOM 208 CB LEU A 13 8.468 5.809 1.012 1.00 0.00 C ATOM 209 CG LEU A 13 7.783 5.720 2.371 1.00 0.00 C ATOM 210 CD1 LEU A 13 6.296 6.044 2.223 1.00 0.00 C ATOM 211 CD2 LEU A 13 7.942 4.301 2.924 1.00 0.00 C ATOM 0 H LEU A 13 10.763 7.457 -0.253 1.00 0.00 H new ATOM 0 HA LEU A 13 10.226 6.131 2.269 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.996 6.582 0.405 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.356 4.868 0.474 1.00 0.00 H new ATOM 0 HG LEU A 13 8.240 6.436 3.055 1.00 0.00 H new ATOM 0 HD11 LEU A 13 5.811 5.979 3.197 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.181 7.053 1.827 1.00 0.00 H new ATOM 0 HD13 LEU A 13 5.835 5.331 1.540 1.00 0.00 H new ATOM 0 HD21 LEU A 13 7.454 4.232 3.896 1.00 0.00 H new ATOM 0 HD22 LEU A 13 7.484 3.589 2.237 1.00 0.00 H new ATOM 0 HD23 LEU A 13 9.002 4.070 3.033 1.00 0.00 H new ATOM 223 N LYS A 14 10.476 4.661 -0.661 1.00 0.00 N ATOM 224 CA LYS A 14 11.289 3.632 -1.393 1.00 0.00 C ATOM 225 C LYS A 14 11.546 2.410 -0.501 1.00 0.00 C ATOM 226 O LYS A 14 12.675 2.003 -0.301 1.00 0.00 O ATOM 227 CB LYS A 14 12.607 4.333 -1.740 1.00 0.00 C ATOM 228 CG LYS A 14 12.396 5.253 -2.944 1.00 0.00 C ATOM 229 CD LYS A 14 13.753 5.700 -3.490 1.00 0.00 C ATOM 230 CE LYS A 14 14.500 4.491 -4.056 1.00 0.00 C ATOM 231 NZ LYS A 14 15.213 5.008 -5.257 1.00 0.00 N ATOM 0 H LYS A 14 9.649 4.988 -1.160 1.00 0.00 H new ATOM 0 HA LYS A 14 10.776 3.266 -2.282 1.00 0.00 H new ATOM 0 HB2 LYS A 14 12.960 4.910 -0.885 1.00 0.00 H new ATOM 0 HB3 LYS A 14 13.376 3.594 -1.964 1.00 0.00 H new ATOM 0 HG2 LYS A 14 11.834 4.732 -3.719 1.00 0.00 H new ATOM 0 HG3 LYS A 14 11.806 6.122 -2.652 1.00 0.00 H new ATOM 0 HD2 LYS A 14 13.614 6.451 -4.267 1.00 0.00 H new ATOM 0 HD3 LYS A 14 14.340 6.165 -2.698 1.00 0.00 H new ATOM 0 HE2 LYS A 14 15.200 4.082 -3.327 1.00 0.00 H new ATOM 0 HE3 LYS A 14 13.811 3.689 -4.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 15.749 4.236 -5.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 14.521 5.385 -5.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 15.867 5.765 -4.973 1.00 0.00 H new ATOM 245 N GLY A 15 10.503 1.829 0.034 1.00 0.00 N ATOM 246 CA GLY A 15 10.675 0.638 0.917 1.00 0.00 C ATOM 247 C GLY A 15 9.481 -0.304 0.752 1.00 0.00 C ATOM 248 O GLY A 15 8.486 0.046 0.146 1.00 0.00 O ATOM 0 H GLY A 15 9.538 2.129 -0.103 1.00 0.00 H new ATOM 0 HA2 GLY A 15 11.599 0.117 0.665 1.00 0.00 H new ATOM 0 HA3 GLY A 15 10.760 0.954 1.957 1.00 0.00 H new ATOM 252 N GLU A 16 9.580 -1.494 1.287 1.00 0.00 N ATOM 253 CA GLU A 16 8.461 -2.480 1.171 1.00 0.00 C ATOM 254 C GLU A 16 7.824 -2.723 2.542 1.00 0.00 C ATOM 255 O GLU A 16 7.877 -3.815 3.078 1.00 0.00 O ATOM 256 CB GLU A 16 9.122 -3.757 0.650 1.00 0.00 C ATOM 257 CG GLU A 16 8.138 -4.519 -0.238 1.00 0.00 C ATOM 258 CD GLU A 16 8.907 -5.261 -1.332 1.00 0.00 C ATOM 259 OE1 GLU A 16 9.860 -4.697 -1.846 1.00 0.00 O ATOM 260 OE2 GLU A 16 8.533 -6.381 -1.637 1.00 0.00 O ATOM 0 H GLU A 16 10.394 -1.828 1.803 1.00 0.00 H new ATOM 0 HA GLU A 16 7.665 -2.132 0.513 1.00 0.00 H new ATOM 0 HB2 GLU A 16 10.020 -3.509 0.085 1.00 0.00 H new ATOM 0 HB3 GLU A 16 9.434 -4.384 1.485 1.00 0.00 H new ATOM 0 HG2 GLU A 16 7.564 -5.226 0.361 1.00 0.00 H new ATOM 0 HG3 GLU A 16 7.425 -3.827 -0.686 1.00 0.00 H new ATOM 267 N ILE A 17 7.215 -1.712 3.111 1.00 0.00 N ATOM 268 CA ILE A 17 6.565 -1.881 4.447 1.00 0.00 C ATOM 269 C ILE A 17 5.458 -2.938 4.355 1.00 0.00 C ATOM 270 O ILE A 17 4.772 -3.043 3.356 1.00 0.00 O ATOM 271 CB ILE A 17 5.992 -0.500 4.801 1.00 0.00 C ATOM 272 CG1 ILE A 17 5.284 -0.569 6.157 1.00 0.00 C ATOM 273 CG2 ILE A 17 4.993 -0.053 3.730 1.00 0.00 C ATOM 274 CD1 ILE A 17 4.992 0.849 6.652 1.00 0.00 C ATOM 0 H ILE A 17 7.140 -0.778 2.708 1.00 0.00 H new ATOM 0 HA ILE A 17 7.263 -2.222 5.212 1.00 0.00 H new ATOM 0 HB ILE A 17 6.810 0.219 4.850 1.00 0.00 H new ATOM 0 HG12 ILE A 17 4.355 -1.133 6.066 1.00 0.00 H new ATOM 0 HG13 ILE A 17 5.908 -1.096 6.879 1.00 0.00 H new ATOM 0 HG21 ILE A 17 4.593 0.927 3.991 1.00 0.00 H new ATOM 0 HG22 ILE A 17 5.496 0.006 2.765 1.00 0.00 H new ATOM 0 HG23 ILE A 17 4.177 -0.773 3.670 1.00 0.00 H new ATOM 0 HD11 ILE A 17 4.488 0.801 7.617 1.00 0.00 H new ATOM 0 HD12 ILE A 17 5.928 1.397 6.758 1.00 0.00 H new ATOM 0 HD13 ILE A 17 4.352 1.361 5.933 1.00 0.00 H new ATOM 286 N THR A 18 5.290 -3.727 5.386 1.00 0.00 N ATOM 287 CA THR A 18 4.237 -4.785 5.359 1.00 0.00 C ATOM 288 C THR A 18 2.993 -4.313 6.113 1.00 0.00 C ATOM 289 O THR A 18 3.077 -3.514 7.028 1.00 0.00 O ATOM 290 CB THR A 18 4.876 -5.991 6.047 1.00 0.00 C ATOM 291 OG1 THR A 18 5.478 -5.576 7.265 1.00 0.00 O ATOM 292 CG2 THR A 18 5.943 -6.601 5.128 1.00 0.00 C ATOM 0 H THR A 18 5.837 -3.683 6.246 1.00 0.00 H new ATOM 0 HA THR A 18 3.911 -5.025 4.347 1.00 0.00 H new ATOM 0 HB THR A 18 4.110 -6.738 6.256 1.00 0.00 H new ATOM 0 HG1 THR A 18 5.887 -6.349 7.708 1.00 0.00 H new ATOM 0 HG21 THR A 18 6.398 -7.461 5.620 1.00 0.00 H new ATOM 0 HG22 THR A 18 5.480 -6.920 4.194 1.00 0.00 H new ATOM 0 HG23 THR A 18 6.710 -5.856 4.917 1.00 0.00 H new ATOM 300 N ILE A 19 1.838 -4.790 5.721 1.00 0.00 N ATOM 301 CA ILE A 19 0.579 -4.356 6.403 1.00 0.00 C ATOM 302 C ILE A 19 -0.103 -5.541 7.104 1.00 0.00 C ATOM 303 O ILE A 19 0.199 -6.692 6.866 1.00 0.00 O ATOM 304 CB ILE A 19 -0.316 -3.758 5.266 1.00 0.00 C ATOM 305 CG1 ILE A 19 -0.557 -2.252 5.554 1.00 0.00 C ATOM 306 CG2 ILE A 19 -1.672 -4.503 5.141 1.00 0.00 C ATOM 307 CD1 ILE A 19 -1.770 -1.712 4.767 1.00 0.00 C ATOM 0 H ILE A 19 1.712 -5.459 4.961 1.00 0.00 H new ATOM 0 HA ILE A 19 0.767 -3.622 7.187 1.00 0.00 H new ATOM 0 HB ILE A 19 0.206 -3.882 4.317 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -0.721 -2.106 6.622 1.00 0.00 H new ATOM 0 HG13 ILE A 19 0.333 -1.683 5.288 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -2.261 -4.055 4.340 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -1.490 -5.553 4.914 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -2.218 -4.424 6.081 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -1.909 -0.655 4.993 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -1.594 -1.834 3.698 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -2.665 -2.265 5.053 1.00 0.00 H new ATOM 319 N GLU A 20 -1.072 -5.228 7.913 1.00 0.00 N ATOM 320 CA GLU A 20 -1.876 -6.264 8.611 1.00 0.00 C ATOM 321 C GLU A 20 -3.338 -5.873 8.413 1.00 0.00 C ATOM 322 O GLU A 20 -3.952 -5.267 9.271 1.00 0.00 O ATOM 323 CB GLU A 20 -1.473 -6.177 10.084 1.00 0.00 C ATOM 324 CG GLU A 20 -1.965 -7.422 10.824 1.00 0.00 C ATOM 325 CD GLU A 20 -0.887 -8.506 10.770 1.00 0.00 C ATOM 326 OE1 GLU A 20 -0.899 -9.281 9.828 1.00 0.00 O ATOM 327 OE2 GLU A 20 -0.066 -8.543 11.672 1.00 0.00 O ATOM 0 H GLU A 20 -1.348 -4.269 8.125 1.00 0.00 H new ATOM 0 HA GLU A 20 -1.722 -7.279 8.246 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -0.390 -6.094 10.171 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -1.899 -5.281 10.536 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -2.196 -7.175 11.860 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -2.886 -7.787 10.371 1.00 0.00 H new ATOM 334 N ALA A 21 -3.881 -6.170 7.259 1.00 0.00 N ATOM 335 CA ALA A 21 -5.278 -5.773 6.958 1.00 0.00 C ATOM 336 C ALA A 21 -6.143 -7.002 6.728 1.00 0.00 C ATOM 337 O ALA A 21 -5.669 -8.122 6.749 1.00 0.00 O ATOM 338 CB ALA A 21 -5.160 -4.949 5.671 1.00 0.00 C ATOM 0 H ALA A 21 -3.407 -6.675 6.510 1.00 0.00 H new ATOM 0 HA ALA A 21 -5.743 -5.217 7.772 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -6.149 -4.608 5.366 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -4.517 -4.087 5.849 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -4.730 -5.566 4.882 1.00 0.00 H new ATOM 344 N VAL A 22 -7.412 -6.796 6.519 1.00 0.00 N ATOM 345 CA VAL A 22 -8.327 -7.939 6.295 1.00 0.00 C ATOM 346 C VAL A 22 -8.137 -8.503 4.881 1.00 0.00 C ATOM 347 O VAL A 22 -8.126 -9.701 4.673 1.00 0.00 O ATOM 348 CB VAL A 22 -9.744 -7.373 6.489 1.00 0.00 C ATOM 349 CG1 VAL A 22 -10.055 -6.313 5.418 1.00 0.00 C ATOM 350 CG2 VAL A 22 -10.760 -8.512 6.380 1.00 0.00 C ATOM 0 H VAL A 22 -7.854 -5.877 6.494 1.00 0.00 H new ATOM 0 HA VAL A 22 -8.135 -8.763 6.983 1.00 0.00 H new ATOM 0 HB VAL A 22 -9.805 -6.907 7.472 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -11.062 -5.925 5.572 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -9.336 -5.497 5.494 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -9.988 -6.765 4.428 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -11.766 -8.116 6.517 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -10.683 -8.975 5.396 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -10.555 -9.257 7.149 1.00 0.00 H new ATOM 360 N ASP A 23 -7.976 -7.639 3.917 1.00 0.00 N ATOM 361 CA ASP A 23 -7.770 -8.088 2.511 1.00 0.00 C ATOM 362 C ASP A 23 -6.899 -7.061 1.796 1.00 0.00 C ATOM 363 O ASP A 23 -6.603 -6.013 2.342 1.00 0.00 O ATOM 364 CB ASP A 23 -9.166 -8.166 1.876 1.00 0.00 C ATOM 365 CG ASP A 23 -9.906 -6.830 2.027 1.00 0.00 C ATOM 366 OD1 ASP A 23 -9.301 -5.802 1.773 1.00 0.00 O ATOM 367 OD2 ASP A 23 -11.070 -6.862 2.390 1.00 0.00 O ATOM 0 H ASP A 23 -7.978 -6.627 4.046 1.00 0.00 H new ATOM 0 HA ASP A 23 -7.272 -9.055 2.447 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -9.077 -8.421 0.820 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -9.742 -8.962 2.348 1.00 0.00 H new ATOM 372 N ALA A 24 -6.476 -7.343 0.591 1.00 0.00 N ATOM 373 CA ALA A 24 -5.612 -6.362 -0.131 1.00 0.00 C ATOM 374 C ALA A 24 -6.371 -5.049 -0.330 1.00 0.00 C ATOM 375 O ALA A 24 -5.791 -3.980 -0.344 1.00 0.00 O ATOM 376 CB ALA A 24 -5.281 -7.008 -1.477 1.00 0.00 C ATOM 0 H ALA A 24 -6.688 -8.200 0.080 1.00 0.00 H new ATOM 0 HA ALA A 24 -4.705 -6.128 0.426 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -4.647 -6.337 -2.057 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -4.756 -7.948 -1.310 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -6.203 -7.200 -2.025 1.00 0.00 H new ATOM 382 N ALA A 25 -7.674 -5.124 -0.472 1.00 0.00 N ATOM 383 CA ALA A 25 -8.489 -3.886 -0.660 1.00 0.00 C ATOM 384 C ALA A 25 -8.236 -2.912 0.494 1.00 0.00 C ATOM 385 O ALA A 25 -7.874 -1.771 0.285 1.00 0.00 O ATOM 386 CB ALA A 25 -9.949 -4.354 -0.664 1.00 0.00 C ATOM 0 H ALA A 25 -8.207 -5.993 -0.465 1.00 0.00 H new ATOM 0 HA ALA A 25 -8.235 -3.363 -1.582 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -10.606 -3.495 -0.798 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -10.103 -5.060 -1.481 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -10.178 -4.841 0.284 1.00 0.00 H new ATOM 392 N GLU A 26 -8.410 -3.366 1.712 1.00 0.00 N ATOM 393 CA GLU A 26 -8.167 -2.477 2.888 1.00 0.00 C ATOM 394 C GLU A 26 -6.699 -2.048 2.907 1.00 0.00 C ATOM 395 O GLU A 26 -6.388 -0.888 3.098 1.00 0.00 O ATOM 396 CB GLU A 26 -8.502 -3.324 4.119 1.00 0.00 C ATOM 397 CG GLU A 26 -9.870 -2.912 4.675 1.00 0.00 C ATOM 398 CD GLU A 26 -9.821 -2.888 6.205 1.00 0.00 C ATOM 399 OE1 GLU A 26 -9.958 -3.944 6.799 1.00 0.00 O ATOM 400 OE2 GLU A 26 -9.646 -1.814 6.757 1.00 0.00 O ATOM 0 H GLU A 26 -8.710 -4.314 1.941 1.00 0.00 H new ATOM 0 HA GLU A 26 -8.771 -1.570 2.857 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -8.510 -4.381 3.853 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -7.735 -3.193 4.882 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -10.146 -1.928 4.295 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -10.636 -3.610 4.337 1.00 0.00 H new ATOM 407 N ALA A 27 -5.787 -2.975 2.701 1.00 0.00 N ATOM 408 CA ALA A 27 -4.326 -2.614 2.694 1.00 0.00 C ATOM 409 C ALA A 27 -4.074 -1.432 1.756 1.00 0.00 C ATOM 410 O ALA A 27 -3.383 -0.493 2.104 1.00 0.00 O ATOM 411 CB ALA A 27 -3.584 -3.847 2.171 1.00 0.00 C ATOM 0 H ALA A 27 -5.989 -3.961 2.538 1.00 0.00 H new ATOM 0 HA ALA A 27 -3.989 -2.328 3.690 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -2.514 -3.643 2.144 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -3.775 -4.694 2.830 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -3.934 -4.083 1.166 1.00 0.00 H new ATOM 417 N GLU A 28 -4.644 -1.466 0.573 1.00 0.00 N ATOM 418 CA GLU A 28 -4.449 -0.336 -0.383 1.00 0.00 C ATOM 419 C GLU A 28 -4.993 0.953 0.236 1.00 0.00 C ATOM 420 O GLU A 28 -4.442 2.012 0.044 1.00 0.00 O ATOM 421 CB GLU A 28 -5.227 -0.712 -1.646 1.00 0.00 C ATOM 422 CG GLU A 28 -4.664 0.068 -2.842 1.00 0.00 C ATOM 423 CD GLU A 28 -5.762 0.259 -3.890 1.00 0.00 C ATOM 424 OE1 GLU A 28 -6.577 -0.637 -4.035 1.00 0.00 O ATOM 425 OE2 GLU A 28 -5.770 1.298 -4.529 1.00 0.00 O ATOM 0 H GLU A 28 -5.233 -2.226 0.232 1.00 0.00 H new ATOM 0 HA GLU A 28 -3.398 -0.167 -0.615 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.150 -1.784 -1.828 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -6.285 -0.486 -1.516 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.288 1.037 -2.513 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -3.822 -0.470 -3.277 1.00 0.00 H new ATOM 432 N LYS A 29 -6.054 0.864 1.003 1.00 0.00 N ATOM 433 CA LYS A 29 -6.604 2.090 1.662 1.00 0.00 C ATOM 434 C LYS A 29 -5.606 2.561 2.721 1.00 0.00 C ATOM 435 O LYS A 29 -5.166 3.698 2.726 1.00 0.00 O ATOM 436 CB LYS A 29 -7.917 1.660 2.321 1.00 0.00 C ATOM 437 CG LYS A 29 -8.875 1.106 1.263 1.00 0.00 C ATOM 438 CD LYS A 29 -9.348 2.238 0.349 1.00 0.00 C ATOM 439 CE LYS A 29 -10.156 3.256 1.158 1.00 0.00 C ATOM 440 NZ LYS A 29 -10.753 4.168 0.143 1.00 0.00 N ATOM 0 H LYS A 29 -6.560 0.000 1.200 1.00 0.00 H new ATOM 0 HA LYS A 29 -6.771 2.906 0.959 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -7.722 0.902 3.080 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -8.374 2.509 2.829 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -8.376 0.336 0.675 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -9.731 0.634 1.746 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -8.490 2.726 -0.114 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -9.959 1.834 -0.458 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -10.928 2.766 1.751 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -9.519 3.802 1.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -11.323 4.895 0.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -9.994 4.626 -0.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -11.360 3.621 -0.501 1.00 0.00 H new ATOM 454 N ILE A 30 -5.229 1.672 3.606 1.00 0.00 N ATOM 455 CA ILE A 30 -4.239 2.024 4.668 1.00 0.00 C ATOM 456 C ILE A 30 -2.931 2.471 4.010 1.00 0.00 C ATOM 457 O ILE A 30 -2.227 3.326 4.514 1.00 0.00 O ATOM 458 CB ILE A 30 -4.030 0.729 5.465 1.00 0.00 C ATOM 459 CG1 ILE A 30 -5.356 0.300 6.098 1.00 0.00 C ATOM 460 CG2 ILE A 30 -2.995 0.959 6.570 1.00 0.00 C ATOM 461 CD1 ILE A 30 -5.394 -1.225 6.223 1.00 0.00 C ATOM 0 H ILE A 30 -5.568 0.710 3.638 1.00 0.00 H new ATOM 0 HA ILE A 30 -4.578 2.837 5.310 1.00 0.00 H new ATOM 0 HB ILE A 30 -3.673 -0.051 4.792 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -5.467 0.759 7.081 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -6.191 0.646 5.488 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -2.851 0.036 7.132 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -2.048 1.263 6.124 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -3.348 1.742 7.242 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -6.338 -1.530 6.674 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -5.303 -1.674 5.234 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -4.568 -1.559 6.851 1.00 0.00 H new ATOM 473 N PHE A 31 -2.619 1.902 2.875 1.00 0.00 N ATOM 474 CA PHE A 31 -1.373 2.287 2.156 1.00 0.00 C ATOM 475 C PHE A 31 -1.605 3.604 1.414 1.00 0.00 C ATOM 476 O PHE A 31 -0.741 4.458 1.351 1.00 0.00 O ATOM 477 CB PHE A 31 -1.115 1.150 1.157 1.00 0.00 C ATOM 478 CG PHE A 31 -0.318 0.034 1.803 1.00 0.00 C ATOM 479 CD1 PHE A 31 0.803 0.321 2.594 1.00 0.00 C ATOM 480 CD2 PHE A 31 -0.697 -1.298 1.588 1.00 0.00 C ATOM 481 CE1 PHE A 31 1.538 -0.720 3.172 1.00 0.00 C ATOM 482 CE2 PHE A 31 0.045 -2.338 2.163 1.00 0.00 C ATOM 483 CZ PHE A 31 1.159 -2.046 2.956 1.00 0.00 C ATOM 0 H PHE A 31 -3.178 1.184 2.415 1.00 0.00 H new ATOM 0 HA PHE A 31 -0.527 2.429 2.829 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -2.065 0.760 0.791 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -0.574 1.535 0.293 1.00 0.00 H new ATOM 0 HD1 PHE A 31 1.100 1.346 2.757 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -1.560 -1.523 0.979 1.00 0.00 H new ATOM 0 HE1 PHE A 31 2.399 -0.498 3.785 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -0.243 -3.365 1.994 1.00 0.00 H new ATOM 0 HZ PHE A 31 1.728 -2.848 3.402 1.00 0.00 H new ATOM 493 N LYS A 32 -2.775 3.765 0.853 1.00 0.00 N ATOM 494 CA LYS A 32 -3.100 5.013 0.105 1.00 0.00 C ATOM 495 C LYS A 32 -3.313 6.198 1.057 1.00 0.00 C ATOM 496 O LYS A 32 -3.468 7.323 0.619 1.00 0.00 O ATOM 497 CB LYS A 32 -4.382 4.704 -0.669 1.00 0.00 C ATOM 498 CG LYS A 32 -4.053 3.853 -1.906 1.00 0.00 C ATOM 499 CD LYS A 32 -4.188 4.706 -3.172 1.00 0.00 C ATOM 500 CE LYS A 32 -5.652 4.738 -3.615 1.00 0.00 C ATOM 501 NZ LYS A 32 -5.606 5.071 -5.065 1.00 0.00 N ATOM 0 H LYS A 32 -3.527 3.076 0.882 1.00 0.00 H new ATOM 0 HA LYS A 32 -2.283 5.300 -0.557 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -5.085 4.173 -0.028 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -4.866 5.632 -0.973 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -3.040 3.458 -1.828 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -4.726 2.997 -1.959 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -3.833 5.719 -2.980 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -3.566 4.296 -3.967 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -6.137 3.777 -3.446 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -6.218 5.483 -3.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -6.574 5.112 -5.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -5.145 5.994 -5.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -5.067 4.340 -5.572 1.00 0.00 H new ATOM 515 N GLN A 33 -3.272 5.974 2.350 1.00 0.00 N ATOM 516 CA GLN A 33 -3.415 7.111 3.313 1.00 0.00 C ATOM 517 C GLN A 33 -2.032 7.317 3.905 1.00 0.00 C ATOM 518 O GLN A 33 -1.505 8.408 3.984 1.00 0.00 O ATOM 519 CB GLN A 33 -4.408 6.639 4.373 1.00 0.00 C ATOM 520 CG GLN A 33 -5.830 6.729 3.816 1.00 0.00 C ATOM 521 CD GLN A 33 -6.404 8.117 4.109 1.00 0.00 C ATOM 522 OE1 GLN A 33 -5.678 9.090 4.159 1.00 0.00 O ATOM 523 NE2 GLN A 33 -7.688 8.250 4.305 1.00 0.00 N ATOM 0 H GLN A 33 -3.146 5.057 2.778 1.00 0.00 H new ATOM 0 HA GLN A 33 -3.771 8.043 2.873 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -4.185 5.613 4.665 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -4.318 7.252 5.270 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -5.824 6.545 2.742 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -6.458 5.961 4.267 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -8.298 7.433 4.263 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -8.081 9.171 4.500 1.00 0.00 H new ATOM 532 N TYR A 34 -1.431 6.216 4.251 1.00 0.00 N ATOM 533 CA TYR A 34 -0.044 6.190 4.777 1.00 0.00 C ATOM 534 C TYR A 34 0.884 6.945 3.800 1.00 0.00 C ATOM 535 O TYR A 34 1.829 7.598 4.197 1.00 0.00 O ATOM 536 CB TYR A 34 0.226 4.676 4.793 1.00 0.00 C ATOM 537 CG TYR A 34 1.708 4.359 4.817 1.00 0.00 C ATOM 538 CD1 TYR A 34 2.407 4.380 6.030 1.00 0.00 C ATOM 539 CD2 TYR A 34 2.376 4.039 3.629 1.00 0.00 C ATOM 540 CE1 TYR A 34 3.773 4.080 6.056 1.00 0.00 C ATOM 541 CE2 TYR A 34 3.744 3.741 3.654 1.00 0.00 C ATOM 542 CZ TYR A 34 4.442 3.761 4.868 1.00 0.00 C ATOM 543 OH TYR A 34 5.789 3.465 4.894 1.00 0.00 O ATOM 0 H TYR A 34 -1.866 5.295 4.187 1.00 0.00 H new ATOM 0 HA TYR A 34 0.113 6.664 5.746 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -0.253 4.232 5.666 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -0.228 4.218 3.914 1.00 0.00 H new ATOM 0 HD1 TYR A 34 1.891 4.628 6.946 1.00 0.00 H new ATOM 0 HD2 TYR A 34 1.836 4.022 2.694 1.00 0.00 H new ATOM 0 HE1 TYR A 34 4.311 4.094 6.992 1.00 0.00 H new ATOM 0 HE2 TYR A 34 4.260 3.496 2.738 1.00 0.00 H new ATOM 0 HH TYR A 34 5.949 2.627 4.411 1.00 0.00 H new ATOM 553 N ALA A 35 0.593 6.858 2.524 1.00 0.00 N ATOM 554 CA ALA A 35 1.421 7.567 1.497 1.00 0.00 C ATOM 555 C ALA A 35 1.268 9.081 1.658 1.00 0.00 C ATOM 556 O ALA A 35 2.239 9.811 1.711 1.00 0.00 O ATOM 557 CB ALA A 35 0.848 7.128 0.144 1.00 0.00 C ATOM 0 H ALA A 35 -0.189 6.322 2.147 1.00 0.00 H new ATOM 0 HA ALA A 35 2.481 7.330 1.591 1.00 0.00 H new ATOM 0 HB1 ALA A 35 1.405 7.608 -0.660 1.00 0.00 H new ATOM 0 HB2 ALA A 35 0.932 6.046 0.047 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -0.201 7.418 0.082 1.00 0.00 H new ATOM 563 N ASN A 36 0.049 9.552 1.733 1.00 0.00 N ATOM 564 CA ASN A 36 -0.191 11.022 1.886 1.00 0.00 C ATOM 565 C ASN A 36 0.502 11.552 3.142 1.00 0.00 C ATOM 566 O ASN A 36 1.158 12.576 3.114 1.00 0.00 O ATOM 567 CB ASN A 36 -1.706 11.169 2.011 1.00 0.00 C ATOM 568 CG ASN A 36 -2.351 11.032 0.629 1.00 0.00 C ATOM 569 OD1 ASN A 36 -2.611 12.020 -0.030 1.00 0.00 O ATOM 570 ND2 ASN A 36 -2.621 9.845 0.159 1.00 0.00 N ATOM 0 H ASN A 36 -0.795 8.980 1.695 1.00 0.00 H new ATOM 0 HA ASN A 36 0.207 11.589 1.044 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -2.101 10.409 2.685 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -1.953 12.138 2.444 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -3.050 9.746 -0.761 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -2.403 9.016 0.712 1.00 0.00 H new ATOM 577 N ASP A 37 0.359 10.862 4.247 1.00 0.00 N ATOM 578 CA ASP A 37 1.011 11.322 5.518 1.00 0.00 C ATOM 579 C ASP A 37 2.520 11.499 5.321 1.00 0.00 C ATOM 580 O ASP A 37 3.166 12.241 6.038 1.00 0.00 O ATOM 581 CB ASP A 37 0.729 10.217 6.538 1.00 0.00 C ATOM 582 CG ASP A 37 0.844 10.788 7.953 1.00 0.00 C ATOM 583 OD1 ASP A 37 1.954 10.859 8.455 1.00 0.00 O ATOM 584 OD2 ASP A 37 -0.180 11.144 8.512 1.00 0.00 O ATOM 0 H ASP A 37 -0.180 10.000 4.326 1.00 0.00 H new ATOM 0 HA ASP A 37 0.624 12.287 5.844 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -0.268 9.807 6.380 1.00 0.00 H new ATOM 0 HB3 ASP A 37 1.435 9.397 6.407 1.00 0.00 H new ATOM 589 N ASN A 38 3.076 10.823 4.356 1.00 0.00 N ATOM 590 CA ASN A 38 4.532 10.935 4.091 1.00 0.00 C ATOM 591 C ASN A 38 4.787 11.825 2.871 1.00 0.00 C ATOM 592 O ASN A 38 5.832 12.436 2.746 1.00 0.00 O ATOM 593 CB ASN A 38 4.999 9.504 3.820 1.00 0.00 C ATOM 594 CG ASN A 38 5.536 8.885 5.111 1.00 0.00 C ATOM 595 OD1 ASN A 38 6.713 8.606 5.221 1.00 0.00 O ATOM 596 ND2 ASN A 38 4.717 8.658 6.102 1.00 0.00 N ATOM 0 H ASN A 38 2.575 10.190 3.733 1.00 0.00 H new ATOM 0 HA ASN A 38 5.067 11.387 4.926 1.00 0.00 H new ATOM 0 HB2 ASN A 38 4.171 8.908 3.436 1.00 0.00 H new ATOM 0 HB3 ASN A 38 5.775 9.503 3.054 1.00 0.00 H new ATOM 0 HD21 ASN A 38 5.066 8.247 6.968 1.00 0.00 H new ATOM 0 HD22 ASN A 38 3.728 8.892 6.010 1.00 0.00 H new ATOM 603 N GLY A 39 3.839 11.898 1.970 1.00 0.00 N ATOM 604 CA GLY A 39 4.017 12.742 0.751 1.00 0.00 C ATOM 605 C GLY A 39 4.144 11.839 -0.479 1.00 0.00 C ATOM 606 O GLY A 39 4.798 12.180 -1.445 1.00 0.00 O ATOM 0 H GLY A 39 2.947 11.407 2.028 1.00 0.00 H new ATOM 0 HA2 GLY A 39 3.168 13.416 0.635 1.00 0.00 H new ATOM 0 HA3 GLY A 39 4.906 13.364 0.853 1.00 0.00 H new ATOM 610 N ILE A 40 3.520 10.689 -0.444 1.00 0.00 N ATOM 611 CA ILE A 40 3.592 9.750 -1.599 1.00 0.00 C ATOM 612 C ILE A 40 2.346 9.940 -2.470 1.00 0.00 C ATOM 613 O ILE A 40 1.251 9.555 -2.104 1.00 0.00 O ATOM 614 CB ILE A 40 3.672 8.361 -0.930 1.00 0.00 C ATOM 615 CG1 ILE A 40 5.130 8.053 -0.628 1.00 0.00 C ATOM 616 CG2 ILE A 40 3.116 7.240 -1.809 1.00 0.00 C ATOM 617 CD1 ILE A 40 5.592 8.973 0.488 1.00 0.00 C ATOM 0 H ILE A 40 2.960 10.360 0.342 1.00 0.00 H new ATOM 0 HA ILE A 40 4.439 9.902 -2.268 1.00 0.00 H new ATOM 0 HB ILE A 40 3.065 8.401 -0.026 1.00 0.00 H new ATOM 0 HG12 ILE A 40 5.244 7.010 -0.332 1.00 0.00 H new ATOM 0 HG13 ILE A 40 5.741 8.200 -1.518 1.00 0.00 H new ATOM 0 HG21 ILE A 40 3.201 6.289 -1.283 1.00 0.00 H new ATOM 0 HG22 ILE A 40 2.068 7.439 -2.033 1.00 0.00 H new ATOM 0 HG23 ILE A 40 3.683 7.192 -2.739 1.00 0.00 H new ATOM 0 HD11 ILE A 40 6.637 8.767 0.720 1.00 0.00 H new ATOM 0 HD12 ILE A 40 5.488 10.011 0.171 1.00 0.00 H new ATOM 0 HD13 ILE A 40 4.983 8.802 1.376 1.00 0.00 H new ATOM 629 N ASP A 41 2.517 10.550 -3.607 1.00 0.00 N ATOM 630 CA ASP A 41 1.351 10.794 -4.513 1.00 0.00 C ATOM 631 C ASP A 41 1.751 10.663 -5.988 1.00 0.00 C ATOM 632 O ASP A 41 2.346 11.555 -6.561 1.00 0.00 O ATOM 633 CB ASP A 41 0.911 12.224 -4.207 1.00 0.00 C ATOM 634 CG ASP A 41 -0.358 12.550 -4.998 1.00 0.00 C ATOM 635 OD1 ASP A 41 -1.210 11.684 -5.096 1.00 0.00 O ATOM 636 OD2 ASP A 41 -0.455 13.662 -5.491 1.00 0.00 O ATOM 0 H ASP A 41 3.413 10.893 -3.953 1.00 0.00 H new ATOM 0 HA ASP A 41 0.556 10.067 -4.348 1.00 0.00 H new ATOM 0 HB2 ASP A 41 0.725 12.338 -3.139 1.00 0.00 H new ATOM 0 HB3 ASP A 41 1.705 12.924 -4.469 1.00 0.00 H new ATOM 641 N GLY A 42 1.412 9.558 -6.606 1.00 0.00 N ATOM 642 CA GLY A 42 1.746 9.357 -8.048 1.00 0.00 C ATOM 643 C GLY A 42 0.879 8.227 -8.614 1.00 0.00 C ATOM 644 O GLY A 42 -0.302 8.403 -8.847 1.00 0.00 O ATOM 0 H GLY A 42 0.915 8.782 -6.169 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.573 10.278 -8.605 1.00 0.00 H new ATOM 0 HA3 GLY A 42 2.802 9.111 -8.158 1.00 0.00 H new ATOM 648 N GLU A 43 1.455 7.069 -8.837 1.00 0.00 N ATOM 649 CA GLU A 43 0.656 5.925 -9.392 1.00 0.00 C ATOM 650 C GLU A 43 0.376 4.881 -8.302 1.00 0.00 C ATOM 651 O GLU A 43 0.785 5.038 -7.175 1.00 0.00 O ATOM 652 CB GLU A 43 1.528 5.326 -10.496 1.00 0.00 C ATOM 653 CG GLU A 43 0.646 4.902 -11.674 1.00 0.00 C ATOM 654 CD GLU A 43 1.396 5.141 -12.985 1.00 0.00 C ATOM 655 OE1 GLU A 43 1.888 6.242 -13.172 1.00 0.00 O ATOM 656 OE2 GLU A 43 1.465 4.220 -13.782 1.00 0.00 O ATOM 0 H GLU A 43 2.439 6.865 -8.660 1.00 0.00 H new ATOM 0 HA GLU A 43 -0.313 6.252 -9.769 1.00 0.00 H new ATOM 0 HB2 GLU A 43 2.267 6.056 -10.826 1.00 0.00 H new ATOM 0 HB3 GLU A 43 2.078 4.467 -10.113 1.00 0.00 H new ATOM 0 HG2 GLU A 43 0.379 3.849 -11.582 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -0.285 5.468 -11.667 1.00 0.00 H new ATOM 663 N TRP A 44 -0.322 3.820 -8.641 1.00 0.00 N ATOM 664 CA TRP A 44 -0.646 2.745 -7.639 1.00 0.00 C ATOM 665 C TRP A 44 -0.936 1.433 -8.365 1.00 0.00 C ATOM 666 O TRP A 44 -1.712 1.396 -9.303 1.00 0.00 O ATOM 667 CB TRP A 44 -1.917 3.219 -6.927 1.00 0.00 C ATOM 668 CG TRP A 44 -1.560 4.068 -5.760 1.00 0.00 C ATOM 669 CD1 TRP A 44 -1.478 5.418 -5.759 1.00 0.00 C ATOM 670 CD2 TRP A 44 -1.254 3.634 -4.415 1.00 0.00 C ATOM 671 NE1 TRP A 44 -1.112 5.837 -4.492 1.00 0.00 N ATOM 672 CE2 TRP A 44 -0.965 4.770 -3.627 1.00 0.00 C ATOM 673 CE3 TRP A 44 -1.194 2.370 -3.814 1.00 0.00 C ATOM 674 CZ2 TRP A 44 -0.622 4.655 -2.282 1.00 0.00 C ATOM 675 CZ3 TRP A 44 -0.854 2.249 -2.458 1.00 0.00 C ATOM 676 CH2 TRP A 44 -0.566 3.389 -1.695 1.00 0.00 C ATOM 0 H TRP A 44 -0.686 3.650 -9.579 1.00 0.00 H new ATOM 0 HA TRP A 44 0.178 2.576 -6.946 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -2.543 3.782 -7.619 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -2.501 2.360 -6.597 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -1.667 6.061 -6.606 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -0.969 6.812 -4.229 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -1.410 1.486 -4.396 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -0.401 5.537 -1.698 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -0.814 1.272 -2.000 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -0.301 3.288 -0.653 1.00 0.00 H new ATOM 687 N THR A 45 -0.326 0.358 -7.938 1.00 0.00 N ATOM 688 CA THR A 45 -0.575 -0.960 -8.603 1.00 0.00 C ATOM 689 C THR A 45 -0.506 -2.073 -7.569 1.00 0.00 C ATOM 690 O THR A 45 0.423 -2.140 -6.790 1.00 0.00 O ATOM 691 CB THR A 45 0.536 -1.158 -9.647 1.00 0.00 C ATOM 692 OG1 THR A 45 1.743 -1.529 -8.995 1.00 0.00 O ATOM 693 CG2 THR A 45 0.764 0.128 -10.439 1.00 0.00 C ATOM 0 H THR A 45 0.333 0.333 -7.160 1.00 0.00 H new ATOM 0 HA THR A 45 -1.559 -0.981 -9.072 1.00 0.00 H new ATOM 0 HB THR A 45 0.230 -1.946 -10.335 1.00 0.00 H new ATOM 0 HG1 THR A 45 2.449 -1.656 -9.662 1.00 0.00 H new ATOM 0 HG21 THR A 45 1.554 -0.032 -11.173 1.00 0.00 H new ATOM 0 HG22 THR A 45 -0.156 0.408 -10.952 1.00 0.00 H new ATOM 0 HG23 THR A 45 1.057 0.927 -9.758 1.00 0.00 H new ATOM 701 N TYR A 46 -1.468 -2.951 -7.571 1.00 0.00 N ATOM 702 CA TYR A 46 -1.450 -4.076 -6.593 1.00 0.00 C ATOM 703 C TYR A 46 -0.871 -5.331 -7.260 1.00 0.00 C ATOM 704 O TYR A 46 -1.393 -5.816 -8.247 1.00 0.00 O ATOM 705 CB TYR A 46 -2.915 -4.291 -6.174 1.00 0.00 C ATOM 706 CG TYR A 46 -3.036 -5.594 -5.408 1.00 0.00 C ATOM 707 CD1 TYR A 46 -2.245 -5.813 -4.273 1.00 0.00 C ATOM 708 CD2 TYR A 46 -3.910 -6.591 -5.855 1.00 0.00 C ATOM 709 CE1 TYR A 46 -2.332 -7.028 -3.583 1.00 0.00 C ATOM 710 CE2 TYR A 46 -3.994 -7.807 -5.167 1.00 0.00 C ATOM 711 CZ TYR A 46 -3.207 -8.025 -4.032 1.00 0.00 C ATOM 712 OH TYR A 46 -3.297 -9.222 -3.357 1.00 0.00 O ATOM 0 H TYR A 46 -2.266 -2.940 -8.206 1.00 0.00 H new ATOM 0 HA TYR A 46 -0.827 -3.861 -5.725 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -3.253 -3.460 -5.555 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -3.557 -4.314 -7.055 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -1.568 -5.045 -3.930 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -4.520 -6.422 -6.730 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -1.725 -7.196 -2.706 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -4.667 -8.577 -5.513 1.00 0.00 H new ATOM 0 HH TYR A 46 -3.952 -9.800 -3.802 1.00 0.00 H new ATOM 722 N ASP A 47 0.184 -5.867 -6.707 1.00 0.00 N ATOM 723 CA ASP A 47 0.781 -7.104 -7.280 1.00 0.00 C ATOM 724 C ASP A 47 0.112 -8.319 -6.637 1.00 0.00 C ATOM 725 O ASP A 47 0.454 -8.716 -5.539 1.00 0.00 O ATOM 726 CB ASP A 47 2.265 -7.046 -6.915 1.00 0.00 C ATOM 727 CG ASP A 47 2.979 -6.052 -7.833 1.00 0.00 C ATOM 728 OD1 ASP A 47 3.310 -6.434 -8.943 1.00 0.00 O ATOM 729 OD2 ASP A 47 3.182 -4.926 -7.411 1.00 0.00 O ATOM 0 H ASP A 47 0.658 -5.500 -5.882 1.00 0.00 H new ATOM 0 HA ASP A 47 0.645 -7.181 -8.359 1.00 0.00 H new ATOM 0 HB2 ASP A 47 2.383 -6.745 -5.874 1.00 0.00 H new ATOM 0 HB3 ASP A 47 2.713 -8.035 -7.013 1.00 0.00 H new ATOM 734 N ASP A 48 -0.847 -8.907 -7.312 1.00 0.00 N ATOM 735 CA ASP A 48 -1.560 -10.098 -6.744 1.00 0.00 C ATOM 736 C ASP A 48 -0.654 -11.343 -6.723 1.00 0.00 C ATOM 737 O ASP A 48 -1.048 -12.386 -6.234 1.00 0.00 O ATOM 738 CB ASP A 48 -2.763 -10.319 -7.668 1.00 0.00 C ATOM 739 CG ASP A 48 -3.599 -11.495 -7.156 1.00 0.00 C ATOM 740 OD1 ASP A 48 -4.451 -11.268 -6.312 1.00 0.00 O ATOM 741 OD2 ASP A 48 -3.374 -12.602 -7.616 1.00 0.00 O ATOM 0 H ASP A 48 -1.168 -8.613 -8.234 1.00 0.00 H new ATOM 0 HA ASP A 48 -1.858 -9.928 -5.709 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -3.373 -9.417 -7.708 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -2.422 -10.518 -8.684 1.00 0.00 H new ATOM 746 N ALA A 49 0.548 -11.246 -7.233 1.00 0.00 N ATOM 747 CA ALA A 49 1.470 -12.418 -7.225 1.00 0.00 C ATOM 748 C ALA A 49 2.261 -12.433 -5.918 1.00 0.00 C ATOM 749 O ALA A 49 2.655 -13.476 -5.431 1.00 0.00 O ATOM 750 CB ALA A 49 2.403 -12.200 -8.417 1.00 0.00 C ATOM 0 H ALA A 49 0.930 -10.400 -7.656 1.00 0.00 H new ATOM 0 HA ALA A 49 0.943 -13.369 -7.298 1.00 0.00 H new ATOM 0 HB1 ALA A 49 3.114 -13.024 -8.478 1.00 0.00 H new ATOM 0 HB2 ALA A 49 1.817 -12.157 -9.335 1.00 0.00 H new ATOM 0 HB3 ALA A 49 2.945 -11.263 -8.288 1.00 0.00 H new ATOM 756 N THR A 50 2.482 -11.278 -5.342 1.00 0.00 N ATOM 757 CA THR A 50 3.231 -11.205 -4.057 1.00 0.00 C ATOM 758 C THR A 50 2.540 -10.227 -3.102 1.00 0.00 C ATOM 759 O THR A 50 3.107 -9.819 -2.107 1.00 0.00 O ATOM 760 CB THR A 50 4.620 -10.693 -4.437 1.00 0.00 C ATOM 761 OG1 THR A 50 4.499 -9.430 -5.075 1.00 0.00 O ATOM 762 CG2 THR A 50 5.284 -11.687 -5.388 1.00 0.00 C ATOM 0 H THR A 50 2.173 -10.379 -5.711 1.00 0.00 H new ATOM 0 HA THR A 50 3.278 -12.168 -3.549 1.00 0.00 H new ATOM 0 HB THR A 50 5.230 -10.588 -3.540 1.00 0.00 H new ATOM 0 HG1 THR A 50 4.533 -8.719 -4.402 1.00 0.00 H new ATOM 0 HG21 THR A 50 6.275 -11.324 -5.660 1.00 0.00 H new ATOM 0 HG22 THR A 50 5.375 -12.656 -4.896 1.00 0.00 H new ATOM 0 HG23 THR A 50 4.676 -11.792 -6.287 1.00 0.00 H new ATOM 770 N LYS A 51 1.309 -9.851 -3.392 1.00 0.00 N ATOM 771 CA LYS A 51 0.566 -8.906 -2.505 1.00 0.00 C ATOM 772 C LYS A 51 1.410 -7.675 -2.175 1.00 0.00 C ATOM 773 O LYS A 51 1.456 -7.222 -1.047 1.00 0.00 O ATOM 774 CB LYS A 51 0.248 -9.725 -1.260 1.00 0.00 C ATOM 775 CG LYS A 51 -0.937 -10.627 -1.586 1.00 0.00 C ATOM 776 CD LYS A 51 -0.472 -11.812 -2.428 1.00 0.00 C ATOM 777 CE LYS A 51 -1.232 -13.074 -2.011 1.00 0.00 C ATOM 778 NZ LYS A 51 -2.578 -12.935 -2.630 1.00 0.00 N ATOM 0 H LYS A 51 0.790 -10.164 -4.212 1.00 0.00 H new ATOM 0 HA LYS A 51 -0.336 -8.515 -2.976 1.00 0.00 H new ATOM 0 HB2 LYS A 51 1.111 -10.321 -0.964 1.00 0.00 H new ATOM 0 HB3 LYS A 51 0.010 -9.070 -0.422 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -1.398 -10.983 -0.665 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -1.697 -10.062 -2.126 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -0.641 -11.607 -3.485 1.00 0.00 H new ATOM 0 HD3 LYS A 51 0.600 -11.963 -2.300 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -0.727 -13.973 -2.363 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -1.303 -13.152 -0.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -3.307 -12.986 -1.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -2.643 -12.019 -3.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -2.726 -13.703 -3.315 1.00 0.00 H new ATOM 792 N THR A 52 2.072 -7.133 -3.163 1.00 0.00 N ATOM 793 CA THR A 52 2.917 -5.925 -2.930 1.00 0.00 C ATOM 794 C THR A 52 2.426 -4.759 -3.794 1.00 0.00 C ATOM 795 O THR A 52 2.678 -4.713 -4.983 1.00 0.00 O ATOM 796 CB THR A 52 4.328 -6.345 -3.346 1.00 0.00 C ATOM 797 OG1 THR A 52 4.650 -7.585 -2.733 1.00 0.00 O ATOM 798 CG2 THR A 52 5.332 -5.279 -2.903 1.00 0.00 C ATOM 0 H THR A 52 2.064 -7.476 -4.124 1.00 0.00 H new ATOM 0 HA THR A 52 2.880 -5.588 -1.894 1.00 0.00 H new ATOM 0 HB THR A 52 4.371 -6.452 -4.430 1.00 0.00 H new ATOM 0 HG1 THR A 52 5.553 -7.857 -3.000 1.00 0.00 H new ATOM 0 HG21 THR A 52 6.337 -5.580 -3.200 1.00 0.00 H new ATOM 0 HG22 THR A 52 5.084 -4.328 -3.374 1.00 0.00 H new ATOM 0 HG23 THR A 52 5.292 -5.169 -1.819 1.00 0.00 H new ATOM 806 N PHE A 53 1.733 -3.816 -3.204 1.00 0.00 N ATOM 807 CA PHE A 53 1.232 -2.648 -3.994 1.00 0.00 C ATOM 808 C PHE A 53 2.431 -1.871 -4.563 1.00 0.00 C ATOM 809 O PHE A 53 3.563 -2.282 -4.383 1.00 0.00 O ATOM 810 CB PHE A 53 0.415 -1.809 -3.003 1.00 0.00 C ATOM 811 CG PHE A 53 -0.894 -2.519 -2.694 1.00 0.00 C ATOM 812 CD1 PHE A 53 -0.955 -3.489 -1.679 1.00 0.00 C ATOM 813 CD2 PHE A 53 -2.053 -2.201 -3.419 1.00 0.00 C ATOM 814 CE1 PHE A 53 -2.168 -4.135 -1.395 1.00 0.00 C ATOM 815 CE2 PHE A 53 -3.259 -2.851 -3.133 1.00 0.00 C ATOM 816 CZ PHE A 53 -3.316 -3.816 -2.124 1.00 0.00 C ATOM 0 H PHE A 53 1.493 -3.804 -2.213 1.00 0.00 H new ATOM 0 HA PHE A 53 0.616 -2.936 -4.846 1.00 0.00 H new ATOM 0 HB2 PHE A 53 0.983 -1.656 -2.085 1.00 0.00 H new ATOM 0 HB3 PHE A 53 0.216 -0.823 -3.423 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -0.067 -3.738 -1.117 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -2.014 -1.454 -4.198 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -2.214 -4.879 -0.613 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -4.149 -2.606 -3.694 1.00 0.00 H new ATOM 0 HZ PHE A 53 -4.249 -4.316 -1.908 1.00 0.00 H new ATOM 826 N THR A 54 2.216 -0.764 -5.247 1.00 0.00 N ATOM 827 CA THR A 54 3.367 -0.003 -5.812 1.00 0.00 C ATOM 828 C THR A 54 2.912 1.422 -6.037 1.00 0.00 C ATOM 829 O THR A 54 2.203 1.709 -6.984 1.00 0.00 O ATOM 830 CB THR A 54 3.716 -0.669 -7.150 1.00 0.00 C ATOM 831 OG1 THR A 54 3.388 -2.053 -7.112 1.00 0.00 O ATOM 832 CG2 THR A 54 5.212 -0.511 -7.421 1.00 0.00 C ATOM 0 H THR A 54 1.297 -0.363 -5.433 1.00 0.00 H new ATOM 0 HA THR A 54 4.235 -0.001 -5.153 1.00 0.00 H new ATOM 0 HB THR A 54 3.143 -0.190 -7.944 1.00 0.00 H new ATOM 0 HG1 THR A 54 2.689 -2.242 -7.772 1.00 0.00 H new ATOM 0 HG21 THR A 54 5.462 -0.984 -8.371 1.00 0.00 H new ATOM 0 HG22 THR A 54 5.464 0.549 -7.466 1.00 0.00 H new ATOM 0 HG23 THR A 54 5.779 -0.985 -6.620 1.00 0.00 H new ATOM 840 N VAL A 55 3.280 2.308 -5.160 1.00 0.00 N ATOM 841 CA VAL A 55 2.826 3.714 -5.311 1.00 0.00 C ATOM 842 C VAL A 55 3.961 4.625 -5.787 1.00 0.00 C ATOM 843 O VAL A 55 4.938 4.853 -5.103 1.00 0.00 O ATOM 844 CB VAL A 55 2.269 4.128 -3.934 1.00 0.00 C ATOM 845 CG1 VAL A 55 3.293 3.881 -2.823 1.00 0.00 C ATOM 846 CG2 VAL A 55 1.883 5.608 -3.958 1.00 0.00 C ATOM 0 H VAL A 55 3.872 2.122 -4.350 1.00 0.00 H new ATOM 0 HA VAL A 55 2.057 3.807 -6.078 1.00 0.00 H new ATOM 0 HB VAL A 55 1.389 3.519 -3.727 1.00 0.00 H new ATOM 0 HG11 VAL A 55 2.870 4.183 -1.865 1.00 0.00 H new ATOM 0 HG12 VAL A 55 3.546 2.821 -2.790 1.00 0.00 H new ATOM 0 HG13 VAL A 55 4.193 4.463 -3.022 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.490 5.897 -2.983 1.00 0.00 H new ATOM 0 HG22 VAL A 55 2.762 6.210 -4.188 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.121 5.773 -4.720 1.00 0.00 H new ATOM 856 N THR A 56 3.802 5.160 -6.966 1.00 0.00 N ATOM 857 CA THR A 56 4.818 6.084 -7.532 1.00 0.00 C ATOM 858 C THR A 56 4.454 7.512 -7.098 1.00 0.00 C ATOM 859 O THR A 56 3.399 7.738 -6.535 1.00 0.00 O ATOM 860 CB THR A 56 4.703 5.864 -9.061 1.00 0.00 C ATOM 861 OG1 THR A 56 5.585 4.819 -9.445 1.00 0.00 O ATOM 862 CG2 THR A 56 5.057 7.129 -9.855 1.00 0.00 C ATOM 0 H THR A 56 2.997 4.991 -7.569 1.00 0.00 H new ATOM 0 HA THR A 56 5.842 5.914 -7.199 1.00 0.00 H new ATOM 0 HB THR A 56 3.668 5.606 -9.284 1.00 0.00 H new ATOM 0 HG1 THR A 56 6.501 5.164 -9.490 1.00 0.00 H new ATOM 0 HG21 THR A 56 4.962 6.927 -10.922 1.00 0.00 H new ATOM 0 HG22 THR A 56 4.378 7.935 -9.576 1.00 0.00 H new ATOM 0 HG23 THR A 56 6.082 7.424 -9.631 1.00 0.00 H new ATOM 870 N GLU A 57 5.313 8.465 -7.353 1.00 0.00 N ATOM 871 CA GLU A 57 5.013 9.873 -6.955 1.00 0.00 C ATOM 872 C GLU A 57 4.937 10.768 -8.194 1.00 0.00 C ATOM 873 O GLU A 57 5.384 10.334 -9.242 1.00 0.00 O ATOM 874 CB GLU A 57 6.183 10.289 -6.062 1.00 0.00 C ATOM 875 CG GLU A 57 5.930 11.694 -5.511 1.00 0.00 C ATOM 876 CD GLU A 57 6.854 11.947 -4.319 1.00 0.00 C ATOM 877 OE1 GLU A 57 6.760 11.208 -3.353 1.00 0.00 O ATOM 878 OE2 GLU A 57 7.640 12.877 -4.391 1.00 0.00 O ATOM 879 OXT GLU A 57 4.433 11.872 -8.072 1.00 0.00 O ATOM 0 H GLU A 57 6.210 8.329 -7.820 1.00 0.00 H new ATOM 0 HA GLU A 57 4.056 9.963 -6.441 1.00 0.00 H new ATOM 0 HB2 GLU A 57 6.298 9.580 -5.242 1.00 0.00 H new ATOM 0 HB3 GLU A 57 7.113 10.272 -6.631 1.00 0.00 H new ATOM 0 HG2 GLU A 57 6.108 12.438 -6.287 1.00 0.00 H new ATOM 0 HG3 GLU A 57 4.889 11.795 -5.206 1.00 0.00 H new