USER MOD reduce.3.24.130724 H: found=0, std=0, add=422, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 420 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 17 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 34 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 9 ASN : amide:sc= 0.885 K(o=2.1,f=-6.3!) USER MOD Set 2.2: A 14 LYS NZ :NH3+ -133:sc= 1.2 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= -0.0981 (180deg=-0.0981) USER MOD Single : A 1 MET N :NH3+ -171:sc= 1.22 (180deg=1.11) USER MOD Single : A 3 THR OG1 : rot 180:sc= -0.0912 USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 158:sc= 0.713 (180deg=0.246) USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.0095 USER MOD Single : A 18 THR OG1 : rot 37:sc= 0.00287 USER MOD Single : A 19 THR OG1 : rot 111:sc= 0.674 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 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 X(o=0,f=-0.0062) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 38 ASN : amide:sc= 0.0846 K(o=0.085,f=-0.42) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 122:sc= 1.08 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 180:sc= -0.359 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.0061 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -15.733 3.535 5.452 1.00 0.00 N ATOM 2 CA MET A 1 -15.363 3.004 4.130 1.00 0.00 C ATOM 3 C MET A 1 -14.399 1.830 4.279 1.00 0.00 C ATOM 4 O MET A 1 -13.879 1.560 5.359 1.00 0.00 O ATOM 5 CB MET A 1 -14.795 4.095 3.213 1.00 0.00 C ATOM 6 CG MET A 1 -15.932 4.920 2.608 1.00 0.00 C ATOM 7 SD MET A 1 -15.397 6.131 1.376 1.00 0.00 S ATOM 8 CE MET A 1 -17.020 6.546 0.689 1.00 0.00 C ATOM 0 H1 MET A 1 -16.501 4.228 5.345 1.00 0.00 H new ATOM 0 H2 MET A 1 -16.052 2.756 6.062 1.00 0.00 H new ATOM 0 H3 MET A 1 -14.907 3.997 5.884 1.00 0.00 H new ATOM 0 HA MET A 1 -16.270 2.638 3.649 1.00 0.00 H new ATOM 0 HB2 MET A 1 -14.126 4.744 3.778 1.00 0.00 H new ATOM 0 HB3 MET A 1 -14.203 3.641 2.419 1.00 0.00 H new ATOM 0 HG2 MET A 1 -16.651 4.243 2.147 1.00 0.00 H new ATOM 0 HG3 MET A 1 -16.454 5.441 3.410 1.00 0.00 H new ATOM 0 HE1 MET A 1 -16.902 7.290 -0.099 1.00 0.00 H new ATOM 0 HE2 MET A 1 -17.480 5.649 0.275 1.00 0.00 H new ATOM 0 HE3 MET A 1 -17.656 6.949 1.477 1.00 0.00 H new ATOM 18 N GLY A 2 -14.176 1.103 3.184 1.00 0.00 N ATOM 19 CA GLY A 2 -13.306 -0.056 3.134 1.00 0.00 C ATOM 20 C GLY A 2 -11.865 0.307 3.459 1.00 0.00 C ATOM 21 O GLY A 2 -11.434 1.447 3.269 1.00 0.00 O ATOM 0 H GLY A 2 -14.611 1.316 2.286 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -13.660 -0.807 3.840 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -13.353 -0.504 2.141 1.00 0.00 H new ATOM 25 N THR A 3 -11.112 -0.674 3.948 1.00 0.00 N ATOM 26 CA THR A 3 -9.722 -0.511 4.339 1.00 0.00 C ATOM 27 C THR A 3 -8.888 -1.676 3.811 1.00 0.00 C ATOM 28 O THR A 3 -9.154 -2.831 4.161 1.00 0.00 O ATOM 29 CB THR A 3 -9.645 -0.447 5.880 1.00 0.00 C ATOM 30 OG1 THR A 3 -10.581 0.474 6.412 1.00 0.00 O ATOM 31 CG2 THR A 3 -8.263 -0.021 6.385 1.00 0.00 C ATOM 0 H THR A 3 -11.461 -1.622 4.085 1.00 0.00 H new ATOM 0 HA THR A 3 -9.323 0.411 3.915 1.00 0.00 H new ATOM 0 HB THR A 3 -9.864 -1.461 6.215 1.00 0.00 H new ATOM 0 HG1 THR A 3 -10.507 0.489 7.389 1.00 0.00 H new ATOM 0 HG21 THR A 3 -8.267 0.007 7.475 1.00 0.00 H new ATOM 0 HG22 THR A 3 -7.514 -0.736 6.043 1.00 0.00 H new ATOM 0 HG23 THR A 3 -8.023 0.969 5.997 1.00 0.00 H new ATOM 39 N TYR A 4 -7.955 -1.397 2.905 1.00 0.00 N ATOM 40 CA TYR A 4 -7.041 -2.393 2.365 1.00 0.00 C ATOM 41 C TYR A 4 -5.796 -2.228 3.245 1.00 0.00 C ATOM 42 O TYR A 4 -5.440 -1.105 3.628 1.00 0.00 O ATOM 43 CB TYR A 4 -6.712 -2.159 0.883 1.00 0.00 C ATOM 44 CG TYR A 4 -7.901 -1.998 -0.047 1.00 0.00 C ATOM 45 CD1 TYR A 4 -8.477 -0.724 -0.201 1.00 0.00 C ATOM 46 CD2 TYR A 4 -8.388 -3.084 -0.806 1.00 0.00 C ATOM 47 CE1 TYR A 4 -9.534 -0.530 -1.100 1.00 0.00 C ATOM 48 CE2 TYR A 4 -9.450 -2.892 -1.714 1.00 0.00 C ATOM 49 CZ TYR A 4 -10.019 -1.607 -1.867 1.00 0.00 C ATOM 50 OH TYR A 4 -11.033 -1.380 -2.741 1.00 0.00 O ATOM 0 H TYR A 4 -7.813 -0.462 2.522 1.00 0.00 H new ATOM 0 HA TYR A 4 -7.464 -3.397 2.386 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -6.093 -1.265 0.806 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -6.110 -2.996 0.529 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -8.103 0.108 0.376 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -7.947 -4.063 -0.691 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -9.978 0.449 -1.205 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -9.827 -3.724 -2.290 1.00 0.00 H new ATOM 0 HH TYR A 4 -11.262 -2.215 -3.201 1.00 0.00 H new ATOM 60 N LYS A 5 -5.162 -3.335 3.617 1.00 0.00 N ATOM 61 CA LYS A 5 -3.978 -3.325 4.464 1.00 0.00 C ATOM 62 C LYS A 5 -2.737 -3.016 3.635 1.00 0.00 C ATOM 63 O LYS A 5 -2.344 -3.845 2.817 1.00 0.00 O ATOM 64 CB LYS A 5 -3.894 -4.649 5.229 1.00 0.00 C ATOM 65 CG LYS A 5 -5.011 -4.679 6.279 1.00 0.00 C ATOM 66 CD LYS A 5 -4.790 -5.786 7.305 1.00 0.00 C ATOM 67 CE LYS A 5 -6.003 -5.809 8.241 1.00 0.00 C ATOM 68 NZ LYS A 5 -6.827 -7.010 8.029 1.00 0.00 N ATOM 0 H LYS A 5 -5.458 -4.270 3.337 1.00 0.00 H new ATOM 0 HA LYS A 5 -4.044 -2.531 5.208 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -3.997 -5.490 4.543 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -2.920 -4.747 5.709 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -5.059 -3.716 6.787 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -5.971 -4.827 5.785 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -4.673 -6.749 6.808 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -3.875 -5.606 7.870 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -5.665 -5.777 9.277 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -6.608 -4.918 8.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -7.639 -6.993 8.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -7.169 -7.027 7.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -6.256 -7.860 8.211 1.00 0.00 H new ATOM 82 N LEU A 6 -2.180 -1.818 3.823 1.00 0.00 N ATOM 83 CA LEU A 6 -1.006 -1.271 3.152 1.00 0.00 C ATOM 84 C LEU A 6 0.277 -1.772 3.837 1.00 0.00 C ATOM 85 O LEU A 6 0.662 -1.247 4.890 1.00 0.00 O ATOM 86 CB LEU A 6 -1.125 0.274 3.195 1.00 0.00 C ATOM 87 CG LEU A 6 -0.291 1.076 2.176 1.00 0.00 C ATOM 88 CD1 LEU A 6 1.169 0.654 2.067 1.00 0.00 C ATOM 89 CD2 LEU A 6 -0.907 1.041 0.780 1.00 0.00 C ATOM 0 H LEU A 6 -2.568 -1.159 4.498 1.00 0.00 H new ATOM 0 HA LEU A 6 -0.953 -1.600 2.114 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -2.174 0.536 3.053 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.846 0.606 4.195 1.00 0.00 H new ATOM 0 HG LEU A 6 -0.308 2.089 2.578 1.00 0.00 H new ATOM 0 HD11 LEU A 6 1.673 1.275 1.326 1.00 0.00 H new ATOM 0 HD12 LEU A 6 1.656 0.776 3.034 1.00 0.00 H new ATOM 0 HD13 LEU A 6 1.224 -0.391 1.762 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -0.287 1.619 0.094 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -0.966 0.009 0.434 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -1.908 1.470 0.813 1.00 0.00 H new ATOM 101 N ILE A 7 0.933 -2.789 3.266 1.00 0.00 N ATOM 102 CA ILE A 7 2.176 -3.383 3.770 1.00 0.00 C ATOM 103 C ILE A 7 3.299 -3.042 2.787 1.00 0.00 C ATOM 104 O ILE A 7 3.168 -3.266 1.585 1.00 0.00 O ATOM 105 CB ILE A 7 2.057 -4.921 3.970 1.00 0.00 C ATOM 106 CG1 ILE A 7 1.224 -5.320 5.208 1.00 0.00 C ATOM 107 CG2 ILE A 7 3.442 -5.578 4.179 1.00 0.00 C ATOM 108 CD1 ILE A 7 -0.288 -5.160 5.070 1.00 0.00 C ATOM 0 H ILE A 7 0.601 -3.236 2.411 1.00 0.00 H new ATOM 0 HA ILE A 7 2.394 -2.968 4.754 1.00 0.00 H new ATOM 0 HB ILE A 7 1.569 -5.266 3.058 1.00 0.00 H new ATOM 0 HG12 ILE A 7 1.440 -6.361 5.448 1.00 0.00 H new ATOM 0 HG13 ILE A 7 1.558 -4.722 6.056 1.00 0.00 H new ATOM 0 HG21 ILE A 7 3.318 -6.652 4.315 1.00 0.00 H new ATOM 0 HG22 ILE A 7 4.068 -5.393 3.306 1.00 0.00 H new ATOM 0 HG23 ILE A 7 3.917 -5.153 5.063 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -0.773 -5.469 5.996 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -0.526 -4.116 4.866 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -0.646 -5.781 4.249 1.00 0.00 H new ATOM 120 N LEU A 8 4.399 -2.502 3.306 1.00 0.00 N ATOM 121 CA LEU A 8 5.610 -2.112 2.600 1.00 0.00 C ATOM 122 C LEU A 8 6.606 -3.252 2.794 1.00 0.00 C ATOM 123 O LEU A 8 7.005 -3.518 3.928 1.00 0.00 O ATOM 124 CB LEU A 8 6.179 -0.810 3.202 1.00 0.00 C ATOM 125 CG LEU A 8 5.844 0.457 2.402 1.00 0.00 C ATOM 126 CD1 LEU A 8 4.345 0.714 2.318 1.00 0.00 C ATOM 127 CD2 LEU A 8 6.498 1.675 3.057 1.00 0.00 C ATOM 0 H LEU A 8 4.469 -2.313 4.306 1.00 0.00 H new ATOM 0 HA LEU A 8 5.411 -1.932 1.544 1.00 0.00 H new ATOM 0 HB2 LEU A 8 5.798 -0.696 4.217 1.00 0.00 H new ATOM 0 HB3 LEU A 8 7.263 -0.902 3.277 1.00 0.00 H new ATOM 0 HG LEU A 8 6.226 0.299 1.393 1.00 0.00 H new ATOM 0 HD11 LEU A 8 4.163 1.621 1.742 1.00 0.00 H new ATOM 0 HD12 LEU A 8 3.858 -0.130 1.829 1.00 0.00 H new ATOM 0 HD13 LEU A 8 3.940 0.835 3.323 1.00 0.00 H new ATOM 0 HD21 LEU A 8 6.256 2.570 2.484 1.00 0.00 H new ATOM 0 HD22 LEU A 8 6.125 1.784 4.075 1.00 0.00 H new ATOM 0 HD23 LEU A 8 7.579 1.540 3.079 1.00 0.00 H new ATOM 139 N ASN A 9 7.005 -3.931 1.719 1.00 0.00 N ATOM 140 CA ASN A 9 7.955 -5.041 1.739 1.00 0.00 C ATOM 141 C ASN A 9 9.133 -4.616 0.858 1.00 0.00 C ATOM 142 O ASN A 9 9.178 -4.935 -0.327 1.00 0.00 O ATOM 143 CB ASN A 9 7.222 -6.338 1.334 1.00 0.00 C ATOM 144 CG ASN A 9 8.118 -7.504 0.937 1.00 0.00 C ATOM 145 OD1 ASN A 9 8.505 -8.299 1.787 1.00 0.00 O ATOM 146 ND2 ASN A 9 8.418 -7.658 -0.338 1.00 0.00 N ATOM 0 H ASN A 9 6.665 -3.716 0.782 1.00 0.00 H new ATOM 0 HA ASN A 9 8.366 -5.269 2.723 1.00 0.00 H new ATOM 0 HB2 ASN A 9 6.593 -6.654 2.166 1.00 0.00 H new ATOM 0 HB3 ASN A 9 6.558 -6.113 0.500 1.00 0.00 H new ATOM 0 HD21 ASN A 9 8.984 -8.452 -0.636 1.00 0.00 H new ATOM 0 HD22 ASN A 9 8.084 -6.983 -1.026 1.00 0.00 H new ATOM 153 N GLY A 10 10.058 -3.831 1.425 1.00 0.00 N ATOM 154 CA GLY A 10 11.237 -3.318 0.732 1.00 0.00 C ATOM 155 C GLY A 10 12.520 -4.019 1.173 1.00 0.00 C ATOM 156 O GLY A 10 12.603 -4.537 2.284 1.00 0.00 O ATOM 0 H GLY A 10 10.003 -3.531 2.398 1.00 0.00 H new ATOM 0 HA2 GLY A 10 11.108 -3.445 -0.343 1.00 0.00 H new ATOM 0 HA3 GLY A 10 11.328 -2.248 0.918 1.00 0.00 H new ATOM 160 N LYS A 11 13.560 -3.931 0.337 1.00 0.00 N ATOM 161 CA LYS A 11 14.890 -4.528 0.526 1.00 0.00 C ATOM 162 C LYS A 11 15.733 -3.986 1.691 1.00 0.00 C ATOM 163 O LYS A 11 16.873 -4.437 1.864 1.00 0.00 O ATOM 164 CB LYS A 11 15.677 -4.519 -0.807 1.00 0.00 C ATOM 165 CG LYS A 11 16.076 -3.167 -1.439 1.00 0.00 C ATOM 166 CD LYS A 11 14.891 -2.322 -1.942 1.00 0.00 C ATOM 167 CE LYS A 11 15.234 -1.361 -3.091 1.00 0.00 C ATOM 168 NZ LYS A 11 15.353 -2.047 -4.397 1.00 0.00 N ATOM 0 H LYS A 11 13.494 -3.413 -0.539 1.00 0.00 H new ATOM 0 HA LYS A 11 14.686 -5.553 0.836 1.00 0.00 H new ATOM 0 HB2 LYS A 11 16.592 -5.091 -0.651 1.00 0.00 H new ATOM 0 HB3 LYS A 11 15.083 -5.062 -1.542 1.00 0.00 H new ATOM 0 HG2 LYS A 11 16.633 -2.587 -0.703 1.00 0.00 H new ATOM 0 HG3 LYS A 11 16.751 -3.356 -2.274 1.00 0.00 H new ATOM 0 HD2 LYS A 11 14.097 -2.993 -2.271 1.00 0.00 H new ATOM 0 HD3 LYS A 11 14.494 -1.743 -1.108 1.00 0.00 H new ATOM 0 HE2 LYS A 11 14.464 -0.593 -3.158 1.00 0.00 H new ATOM 0 HE3 LYS A 11 16.172 -0.853 -2.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 15.212 -1.359 -5.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 16.299 -2.471 -4.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 14.632 -2.793 -4.464 1.00 0.00 H new ATOM 182 N THR A 12 15.251 -3.016 2.468 1.00 0.00 N ATOM 183 CA THR A 12 16.034 -2.469 3.581 1.00 0.00 C ATOM 184 C THR A 12 15.196 -2.162 4.819 1.00 0.00 C ATOM 185 O THR A 12 15.722 -2.160 5.938 1.00 0.00 O ATOM 186 CB THR A 12 16.779 -1.205 3.109 1.00 0.00 C ATOM 187 OG1 THR A 12 17.239 -1.312 1.773 1.00 0.00 O ATOM 188 CG2 THR A 12 18.004 -0.937 3.981 1.00 0.00 C ATOM 0 H THR A 12 14.330 -2.594 2.351 1.00 0.00 H new ATOM 0 HA THR A 12 16.745 -3.238 3.882 1.00 0.00 H new ATOM 0 HB THR A 12 16.055 -0.394 3.183 1.00 0.00 H new ATOM 0 HG1 THR A 12 17.703 -0.487 1.520 1.00 0.00 H new ATOM 0 HG21 THR A 12 18.513 -0.040 3.628 1.00 0.00 H new ATOM 0 HG22 THR A 12 17.690 -0.793 5.015 1.00 0.00 H new ATOM 0 HG23 THR A 12 18.685 -1.787 3.923 1.00 0.00 H new ATOM 196 N LEU A 13 13.924 -1.823 4.628 1.00 0.00 N ATOM 197 CA LEU A 13 12.974 -1.489 5.671 1.00 0.00 C ATOM 198 C LEU A 13 11.594 -1.955 5.226 1.00 0.00 C ATOM 199 O LEU A 13 11.369 -2.234 4.044 1.00 0.00 O ATOM 200 CB LEU A 13 13.049 0.020 6.006 1.00 0.00 C ATOM 201 CG LEU A 13 12.466 1.061 5.022 1.00 0.00 C ATOM 202 CD1 LEU A 13 12.869 0.837 3.559 1.00 0.00 C ATOM 203 CD2 LEU A 13 10.951 1.205 5.163 1.00 0.00 C ATOM 0 H LEU A 13 13.514 -1.773 3.695 1.00 0.00 H new ATOM 0 HA LEU A 13 13.211 -2.003 6.603 1.00 0.00 H new ATOM 0 HB2 LEU A 13 12.550 0.164 6.964 1.00 0.00 H new ATOM 0 HB3 LEU A 13 14.100 0.267 6.154 1.00 0.00 H new ATOM 0 HG LEU A 13 12.924 2.006 5.315 1.00 0.00 H new ATOM 0 HD11 LEU A 13 12.419 1.609 2.935 1.00 0.00 H new ATOM 0 HD12 LEU A 13 13.954 0.885 3.469 1.00 0.00 H new ATOM 0 HD13 LEU A 13 12.521 -0.143 3.232 1.00 0.00 H new ATOM 0 HD21 LEU A 13 10.588 1.947 4.452 1.00 0.00 H new ATOM 0 HD22 LEU A 13 10.474 0.246 4.962 1.00 0.00 H new ATOM 0 HD23 LEU A 13 10.709 1.525 6.176 1.00 0.00 H new ATOM 215 N LYS A 14 10.671 -2.040 6.178 1.00 0.00 N ATOM 216 CA LYS A 14 9.293 -2.454 5.971 1.00 0.00 C ATOM 217 C LYS A 14 8.383 -1.596 6.841 1.00 0.00 C ATOM 218 O LYS A 14 8.864 -0.896 7.746 1.00 0.00 O ATOM 219 CB LYS A 14 9.126 -3.952 6.270 1.00 0.00 C ATOM 220 CG LYS A 14 9.926 -4.831 5.295 1.00 0.00 C ATOM 221 CD LYS A 14 9.412 -6.271 5.315 1.00 0.00 C ATOM 222 CE LYS A 14 10.265 -7.155 4.401 1.00 0.00 C ATOM 223 NZ LYS A 14 9.684 -8.505 4.269 1.00 0.00 N ATOM 0 H LYS A 14 10.873 -1.813 7.152 1.00 0.00 H new ATOM 0 HA LYS A 14 9.015 -2.308 4.927 1.00 0.00 H new ATOM 0 HB2 LYS A 14 9.451 -4.156 7.290 1.00 0.00 H new ATOM 0 HB3 LYS A 14 8.070 -4.217 6.213 1.00 0.00 H new ATOM 0 HG2 LYS A 14 9.848 -4.426 4.286 1.00 0.00 H new ATOM 0 HG3 LYS A 14 10.982 -4.813 5.565 1.00 0.00 H new ATOM 0 HD2 LYS A 14 9.437 -6.659 6.333 1.00 0.00 H new ATOM 0 HD3 LYS A 14 8.372 -6.297 4.990 1.00 0.00 H new ATOM 0 HE2 LYS A 14 10.346 -6.693 3.417 1.00 0.00 H new ATOM 0 HE3 LYS A 14 11.276 -7.229 4.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 10.430 -9.218 4.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 8.947 -8.638 4.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 9.265 -8.612 3.323 1.00 0.00 H new ATOM 237 N GLY A 15 7.085 -1.643 6.569 1.00 0.00 N ATOM 238 CA GLY A 15 6.078 -0.894 7.297 1.00 0.00 C ATOM 239 C GLY A 15 4.714 -1.512 7.056 1.00 0.00 C ATOM 240 O GLY A 15 4.518 -2.272 6.104 1.00 0.00 O ATOM 0 H GLY A 15 6.698 -2.216 5.819 1.00 0.00 H new ATOM 0 HA2 GLY A 15 6.307 -0.897 8.363 1.00 0.00 H new ATOM 0 HA3 GLY A 15 6.079 0.147 6.974 1.00 0.00 H new ATOM 244 N GLU A 16 3.764 -1.192 7.920 1.00 0.00 N ATOM 245 CA GLU A 16 2.401 -1.672 7.862 1.00 0.00 C ATOM 246 C GLU A 16 1.552 -0.667 8.635 1.00 0.00 C ATOM 247 O GLU A 16 1.745 -0.505 9.843 1.00 0.00 O ATOM 248 CB GLU A 16 2.350 -3.070 8.486 1.00 0.00 C ATOM 249 CG GLU A 16 0.903 -3.524 8.668 1.00 0.00 C ATOM 250 CD GLU A 16 0.787 -4.848 9.404 1.00 0.00 C ATOM 251 OE1 GLU A 16 1.425 -5.034 10.463 1.00 0.00 O ATOM 252 OE2 GLU A 16 -0.112 -5.640 9.042 1.00 0.00 O ATOM 0 H GLU A 16 3.932 -0.567 8.709 1.00 0.00 H new ATOM 0 HA GLU A 16 2.024 -1.755 6.843 1.00 0.00 H new ATOM 0 HB2 GLU A 16 2.882 -3.778 7.850 1.00 0.00 H new ATOM 0 HB3 GLU A 16 2.859 -3.063 9.450 1.00 0.00 H new ATOM 0 HG2 GLU A 16 0.354 -2.759 9.217 1.00 0.00 H new ATOM 0 HG3 GLU A 16 0.430 -3.615 7.690 1.00 0.00 H new ATOM 259 N THR A 17 0.588 -0.039 7.962 1.00 0.00 N ATOM 260 CA THR A 17 -0.308 0.964 8.532 1.00 0.00 C ATOM 261 C THR A 17 -1.707 0.793 7.920 1.00 0.00 C ATOM 262 O THR A 17 -1.849 0.029 6.955 1.00 0.00 O ATOM 263 CB THR A 17 0.288 2.364 8.247 1.00 0.00 C ATOM 264 OG1 THR A 17 0.458 2.577 6.854 1.00 0.00 O ATOM 265 CG2 THR A 17 1.670 2.580 8.875 1.00 0.00 C ATOM 0 H THR A 17 0.404 -0.221 6.975 1.00 0.00 H new ATOM 0 HA THR A 17 -0.406 0.846 9.611 1.00 0.00 H new ATOM 0 HB THR A 17 -0.430 3.057 8.685 1.00 0.00 H new ATOM 0 HG1 THR A 17 0.834 3.469 6.703 1.00 0.00 H new ATOM 0 HG21 THR A 17 2.026 3.582 8.635 1.00 0.00 H new ATOM 0 HG22 THR A 17 1.599 2.470 9.957 1.00 0.00 H new ATOM 0 HG23 THR A 17 2.368 1.842 8.480 1.00 0.00 H new ATOM 273 N THR A 18 -2.756 1.455 8.432 1.00 0.00 N ATOM 274 CA THR A 18 -4.093 1.314 7.842 1.00 0.00 C ATOM 275 C THR A 18 -4.784 2.673 7.720 1.00 0.00 C ATOM 276 O THR A 18 -4.830 3.445 8.682 1.00 0.00 O ATOM 277 CB THR A 18 -4.936 0.374 8.737 1.00 0.00 C ATOM 278 OG1 THR A 18 -4.800 0.681 10.118 1.00 0.00 O ATOM 279 CG2 THR A 18 -4.549 -1.097 8.572 1.00 0.00 C ATOM 0 H THR A 18 -2.706 2.080 9.236 1.00 0.00 H new ATOM 0 HA THR A 18 -3.998 0.894 6.841 1.00 0.00 H new ATOM 0 HB THR A 18 -5.963 0.533 8.409 1.00 0.00 H new ATOM 0 HG1 THR A 18 -4.737 1.652 10.233 1.00 0.00 H new ATOM 0 HG21 THR A 18 -5.171 -1.712 9.222 1.00 0.00 H new ATOM 0 HG22 THR A 18 -4.699 -1.399 7.535 1.00 0.00 H new ATOM 0 HG23 THR A 18 -3.501 -1.230 8.841 1.00 0.00 H new ATOM 287 N THR A 19 -5.385 2.937 6.559 1.00 0.00 N ATOM 288 CA THR A 19 -6.129 4.146 6.217 1.00 0.00 C ATOM 289 C THR A 19 -7.236 3.766 5.227 1.00 0.00 C ATOM 290 O THR A 19 -6.994 2.901 4.378 1.00 0.00 O ATOM 291 CB THR A 19 -5.206 5.239 5.652 1.00 0.00 C ATOM 292 OG1 THR A 19 -3.985 5.325 6.366 1.00 0.00 O ATOM 293 CG2 THR A 19 -5.886 6.603 5.727 1.00 0.00 C ATOM 0 H THR A 19 -5.363 2.271 5.787 1.00 0.00 H new ATOM 0 HA THR A 19 -6.577 4.568 7.117 1.00 0.00 H new ATOM 0 HB THR A 19 -4.999 4.965 4.618 1.00 0.00 H new ATOM 0 HG1 THR A 19 -3.250 5.015 5.796 1.00 0.00 H new ATOM 0 HG21 THR A 19 -5.219 7.365 5.323 1.00 0.00 H new ATOM 0 HG22 THR A 19 -6.808 6.583 5.146 1.00 0.00 H new ATOM 0 HG23 THR A 19 -6.118 6.837 6.766 1.00 0.00 H new ATOM 301 N GLU A 20 -8.444 4.315 5.355 1.00 0.00 N ATOM 302 CA GLU A 20 -9.554 4.043 4.441 1.00 0.00 C ATOM 303 C GLU A 20 -9.676 5.165 3.400 1.00 0.00 C ATOM 304 O GLU A 20 -9.202 6.289 3.608 1.00 0.00 O ATOM 305 CB GLU A 20 -10.865 3.802 5.201 1.00 0.00 C ATOM 306 CG GLU A 20 -11.220 4.817 6.287 1.00 0.00 C ATOM 307 CD GLU A 20 -12.501 4.375 6.995 1.00 0.00 C ATOM 308 OE1 GLU A 20 -12.454 3.483 7.877 1.00 0.00 O ATOM 309 OE2 GLU A 20 -13.576 4.912 6.650 1.00 0.00 O ATOM 0 H GLU A 20 -8.682 4.967 6.103 1.00 0.00 H new ATOM 0 HA GLU A 20 -9.341 3.119 3.903 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -11.680 3.778 4.477 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -10.817 2.814 5.660 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -10.404 4.898 7.005 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -11.357 5.805 5.847 1.00 0.00 H new ATOM 316 N ALA A 21 -10.278 4.826 2.260 1.00 0.00 N ATOM 317 CA ALA A 21 -10.540 5.676 1.102 1.00 0.00 C ATOM 318 C ALA A 21 -11.754 5.114 0.351 1.00 0.00 C ATOM 319 O ALA A 21 -12.237 4.050 0.739 1.00 0.00 O ATOM 320 CB ALA A 21 -9.308 5.674 0.189 1.00 0.00 C ATOM 0 H ALA A 21 -10.621 3.877 2.112 1.00 0.00 H new ATOM 0 HA ALA A 21 -10.746 6.699 1.416 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -9.497 6.307 -0.678 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -8.448 6.057 0.738 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -9.103 4.656 -0.143 1.00 0.00 H new ATOM 326 N VAL A 22 -12.254 5.769 -0.708 1.00 0.00 N ATOM 327 CA VAL A 22 -13.411 5.232 -1.443 1.00 0.00 C ATOM 328 C VAL A 22 -13.041 3.987 -2.254 1.00 0.00 C ATOM 329 O VAL A 22 -13.913 3.156 -2.503 1.00 0.00 O ATOM 330 CB VAL A 22 -14.075 6.317 -2.324 1.00 0.00 C ATOM 331 CG1 VAL A 22 -13.278 6.656 -3.598 1.00 0.00 C ATOM 332 CG2 VAL A 22 -15.510 5.947 -2.728 1.00 0.00 C ATOM 0 H VAL A 22 -11.887 6.650 -1.069 1.00 0.00 H new ATOM 0 HA VAL A 22 -14.149 4.920 -0.704 1.00 0.00 H new ATOM 0 HB VAL A 22 -14.090 7.201 -1.687 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -13.806 7.424 -4.164 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -12.290 7.024 -3.322 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -13.174 5.761 -4.211 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -15.930 6.741 -3.345 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -15.500 5.015 -3.293 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -16.119 5.822 -1.833 1.00 0.00 H new ATOM 342 N ASP A 23 -11.776 3.850 -2.669 1.00 0.00 N ATOM 343 CA ASP A 23 -11.317 2.717 -3.459 1.00 0.00 C ATOM 344 C ASP A 23 -9.809 2.562 -3.346 1.00 0.00 C ATOM 345 O ASP A 23 -9.101 3.505 -2.973 1.00 0.00 O ATOM 346 CB ASP A 23 -11.691 2.919 -4.943 1.00 0.00 C ATOM 347 CG ASP A 23 -12.996 2.218 -5.304 1.00 0.00 C ATOM 348 OD1 ASP A 23 -13.118 1.008 -4.998 1.00 0.00 O ATOM 349 OD2 ASP A 23 -13.861 2.856 -5.947 1.00 0.00 O ATOM 0 H ASP A 23 -11.044 4.529 -2.462 1.00 0.00 H new ATOM 0 HA ASP A 23 -11.800 1.818 -3.076 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -11.782 3.985 -5.152 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -10.888 2.538 -5.574 1.00 0.00 H new ATOM 354 N ALA A 24 -9.326 1.378 -3.737 1.00 0.00 N ATOM 355 CA ALA A 24 -7.916 1.006 -3.731 1.00 0.00 C ATOM 356 C ALA A 24 -7.090 1.990 -4.562 1.00 0.00 C ATOM 357 O ALA A 24 -5.985 2.334 -4.153 1.00 0.00 O ATOM 358 CB ALA A 24 -7.760 -0.431 -4.253 1.00 0.00 C ATOM 0 H ALA A 24 -9.930 0.630 -4.077 1.00 0.00 H new ATOM 0 HA ALA A 24 -7.541 1.048 -2.709 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -6.706 -0.708 -4.248 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -8.317 -1.114 -3.611 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -8.146 -0.492 -5.270 1.00 0.00 H new ATOM 364 N ALA A 25 -7.632 2.487 -5.678 1.00 0.00 N ATOM 365 CA ALA A 25 -6.961 3.435 -6.558 1.00 0.00 C ATOM 366 C ALA A 25 -6.664 4.745 -5.826 1.00 0.00 C ATOM 367 O ALA A 25 -5.612 5.351 -6.039 1.00 0.00 O ATOM 368 CB ALA A 25 -7.837 3.686 -7.785 1.00 0.00 C ATOM 0 H ALA A 25 -8.567 2.234 -5.997 1.00 0.00 H new ATOM 0 HA ALA A 25 -6.007 3.014 -6.876 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -7.340 4.395 -8.448 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -8.000 2.747 -8.314 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -8.797 4.095 -7.469 1.00 0.00 H new ATOM 374 N THR A 26 -7.593 5.216 -4.989 1.00 0.00 N ATOM 375 CA THR A 26 -7.365 6.438 -4.241 1.00 0.00 C ATOM 376 C THR A 26 -6.260 6.151 -3.227 1.00 0.00 C ATOM 377 O THR A 26 -5.298 6.914 -3.166 1.00 0.00 O ATOM 378 CB THR A 26 -8.667 6.931 -3.588 1.00 0.00 C ATOM 379 OG1 THR A 26 -9.504 7.457 -4.604 1.00 0.00 O ATOM 380 CG2 THR A 26 -8.425 8.011 -2.528 1.00 0.00 C ATOM 0 H THR A 26 -8.495 4.771 -4.819 1.00 0.00 H new ATOM 0 HA THR A 26 -7.045 7.249 -4.896 1.00 0.00 H new ATOM 0 HB THR A 26 -9.132 6.084 -3.084 1.00 0.00 H new ATOM 0 HG1 THR A 26 -10.341 7.775 -4.206 1.00 0.00 H new ATOM 0 HG21 THR A 26 -9.378 8.322 -2.101 1.00 0.00 H new ATOM 0 HG22 THR A 26 -7.787 7.611 -1.740 1.00 0.00 H new ATOM 0 HG23 THR A 26 -7.937 8.870 -2.989 1.00 0.00 H new ATOM 388 N ALA A 27 -6.369 5.054 -2.467 1.00 0.00 N ATOM 389 CA ALA A 27 -5.379 4.685 -1.464 1.00 0.00 C ATOM 390 C ALA A 27 -3.984 4.598 -2.094 1.00 0.00 C ATOM 391 O ALA A 27 -3.043 5.178 -1.567 1.00 0.00 O ATOM 392 CB ALA A 27 -5.801 3.384 -0.773 1.00 0.00 C ATOM 0 H ALA A 27 -7.149 4.401 -2.535 1.00 0.00 H new ATOM 0 HA ALA A 27 -5.326 5.457 -0.697 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -5.057 3.112 -0.024 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -6.768 3.526 -0.290 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -5.878 2.587 -1.513 1.00 0.00 H new ATOM 398 N GLU A 28 -3.855 3.912 -3.232 1.00 0.00 N ATOM 399 CA GLU A 28 -2.625 3.716 -3.999 1.00 0.00 C ATOM 400 C GLU A 28 -1.936 5.055 -4.274 1.00 0.00 C ATOM 401 O GLU A 28 -0.746 5.230 -4.008 1.00 0.00 O ATOM 402 CB GLU A 28 -3.028 3.011 -5.310 1.00 0.00 C ATOM 403 CG GLU A 28 -1.919 2.784 -6.345 1.00 0.00 C ATOM 404 CD GLU A 28 -2.533 2.372 -7.690 1.00 0.00 C ATOM 405 OE1 GLU A 28 -3.051 1.232 -7.787 1.00 0.00 O ATOM 406 OE2 GLU A 28 -2.560 3.204 -8.629 1.00 0.00 O ATOM 0 H GLU A 28 -4.654 3.452 -3.667 1.00 0.00 H new ATOM 0 HA GLU A 28 -1.909 3.110 -3.444 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -3.458 2.042 -5.056 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -3.817 3.597 -5.781 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -1.332 3.695 -6.467 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -1.236 2.010 -5.995 1.00 0.00 H new ATOM 413 N LYS A 29 -2.682 6.022 -4.805 1.00 0.00 N ATOM 414 CA LYS A 29 -2.145 7.335 -5.137 1.00 0.00 C ATOM 415 C LYS A 29 -1.899 8.202 -3.902 1.00 0.00 C ATOM 416 O LYS A 29 -0.928 8.963 -3.893 1.00 0.00 O ATOM 417 CB LYS A 29 -3.093 8.003 -6.134 1.00 0.00 C ATOM 418 CG LYS A 29 -3.112 7.242 -7.476 1.00 0.00 C ATOM 419 CD LYS A 29 -4.189 7.763 -8.429 1.00 0.00 C ATOM 420 CE LYS A 29 -3.896 9.218 -8.801 1.00 0.00 C ATOM 421 NZ LYS A 29 -4.962 9.813 -9.624 1.00 0.00 N ATOM 0 H LYS A 29 -3.674 5.915 -5.016 1.00 0.00 H new ATOM 0 HA LYS A 29 -1.162 7.213 -5.593 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -4.100 8.037 -5.717 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -2.782 9.034 -6.301 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -2.136 7.329 -7.953 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -3.281 6.182 -7.287 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -4.220 7.148 -9.328 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -5.170 7.689 -7.959 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -3.773 9.805 -7.891 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -2.952 9.268 -9.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -4.717 10.798 -9.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -5.063 9.271 -10.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -5.859 9.791 -9.099 1.00 0.00 H new ATOM 435 N VAL A 30 -2.736 8.108 -2.868 1.00 0.00 N ATOM 436 CA VAL A 30 -2.595 8.881 -1.637 1.00 0.00 C ATOM 437 C VAL A 30 -1.333 8.417 -0.907 1.00 0.00 C ATOM 438 O VAL A 30 -0.456 9.234 -0.605 1.00 0.00 O ATOM 439 CB VAL A 30 -3.881 8.757 -0.784 1.00 0.00 C ATOM 440 CG1 VAL A 30 -3.724 9.280 0.649 1.00 0.00 C ATOM 441 CG2 VAL A 30 -5.037 9.556 -1.409 1.00 0.00 C ATOM 0 H VAL A 30 -3.542 7.483 -2.864 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.476 9.943 -1.852 1.00 0.00 H new ATOM 0 HB VAL A 30 -4.087 7.687 -0.758 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -4.665 9.160 1.185 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -2.942 8.717 1.158 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -3.453 10.335 0.623 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -5.928 9.452 -0.790 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -4.760 10.608 -1.472 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -5.244 9.175 -2.409 1.00 0.00 H new ATOM 451 N PHE A 31 -1.216 7.116 -0.633 1.00 0.00 N ATOM 452 CA PHE A 31 -0.076 6.543 0.063 1.00 0.00 C ATOM 453 C PHE A 31 1.228 6.669 -0.722 1.00 0.00 C ATOM 454 O PHE A 31 2.277 6.559 -0.091 1.00 0.00 O ATOM 455 CB PHE A 31 -0.324 5.061 0.386 1.00 0.00 C ATOM 456 CG PHE A 31 -1.207 4.773 1.585 1.00 0.00 C ATOM 457 CD1 PHE A 31 -0.779 5.134 2.878 1.00 0.00 C ATOM 458 CD2 PHE A 31 -2.385 4.017 1.434 1.00 0.00 C ATOM 459 CE1 PHE A 31 -1.488 4.691 4.007 1.00 0.00 C ATOM 460 CE2 PHE A 31 -3.095 3.573 2.562 1.00 0.00 C ATOM 461 CZ PHE A 31 -2.627 3.884 3.848 1.00 0.00 C ATOM 0 H PHE A 31 -1.922 6.428 -0.894 1.00 0.00 H new ATOM 0 HA PHE A 31 0.032 7.116 0.984 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -0.772 4.590 -0.489 1.00 0.00 H new ATOM 0 HB3 PHE A 31 0.641 4.580 0.548 1.00 0.00 H new ATOM 0 HD1 PHE A 31 0.097 5.753 3.002 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -2.745 3.777 0.445 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -1.158 4.971 4.997 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -3.998 2.994 2.440 1.00 0.00 H new ATOM 0 HZ PHE A 31 -3.143 3.502 4.717 1.00 0.00 H new ATOM 471 N LYS A 32 1.215 6.975 -2.030 1.00 0.00 N ATOM 472 CA LYS A 32 2.444 7.082 -2.819 1.00 0.00 C ATOM 473 C LYS A 32 3.479 8.002 -2.188 1.00 0.00 C ATOM 474 O LYS A 32 4.662 7.662 -2.201 1.00 0.00 O ATOM 475 CB LYS A 32 2.149 7.453 -4.281 1.00 0.00 C ATOM 476 CG LYS A 32 3.455 7.359 -5.084 1.00 0.00 C ATOM 477 CD LYS A 32 3.267 7.323 -6.599 1.00 0.00 C ATOM 478 CE LYS A 32 4.664 7.144 -7.199 1.00 0.00 C ATOM 479 NZ LYS A 32 4.634 6.908 -8.650 1.00 0.00 N ATOM 0 H LYS A 32 0.362 7.152 -2.561 1.00 0.00 H new ATOM 0 HA LYS A 32 2.895 6.090 -2.822 1.00 0.00 H new ATOM 0 HB2 LYS A 32 1.399 6.780 -4.698 1.00 0.00 H new ATOM 0 HB3 LYS A 32 1.740 8.462 -4.340 1.00 0.00 H new ATOM 0 HG2 LYS A 32 4.085 8.211 -4.829 1.00 0.00 H new ATOM 0 HG3 LYS A 32 3.992 6.462 -4.776 1.00 0.00 H new ATOM 0 HD2 LYS A 32 2.610 6.503 -6.890 1.00 0.00 H new ATOM 0 HD3 LYS A 32 2.805 8.244 -6.956 1.00 0.00 H new ATOM 0 HE2 LYS A 32 5.260 8.033 -6.992 1.00 0.00 H new ATOM 0 HE3 LYS A 32 5.160 6.306 -6.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 5.605 6.794 -9.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 4.089 6.045 -8.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 4.186 7.718 -9.124 1.00 0.00 H new ATOM 493 N GLN A 33 3.049 9.145 -1.649 1.00 0.00 N ATOM 494 CA GLN A 33 3.964 10.083 -1.014 1.00 0.00 C ATOM 495 C GLN A 33 4.695 9.373 0.126 1.00 0.00 C ATOM 496 O GLN A 33 5.920 9.331 0.137 1.00 0.00 O ATOM 497 CB GLN A 33 3.218 11.318 -0.494 1.00 0.00 C ATOM 498 CG GLN A 33 2.526 12.112 -1.606 1.00 0.00 C ATOM 499 CD GLN A 33 2.135 13.503 -1.114 1.00 0.00 C ATOM 500 OE1 GLN A 33 2.986 14.340 -0.816 1.00 0.00 O ATOM 501 NE2 GLN A 33 0.857 13.811 -1.027 1.00 0.00 N ATOM 0 H GLN A 33 2.072 9.439 -1.642 1.00 0.00 H new ATOM 0 HA GLN A 33 4.688 10.428 -1.752 1.00 0.00 H new ATOM 0 HB2 GLN A 33 2.474 11.004 0.238 1.00 0.00 H new ATOM 0 HB3 GLN A 33 3.922 11.969 0.025 1.00 0.00 H new ATOM 0 HG2 GLN A 33 3.191 12.199 -2.465 1.00 0.00 H new ATOM 0 HG3 GLN A 33 1.638 11.577 -1.943 1.00 0.00 H new ATOM 0 HE21 GLN A 33 0.148 13.120 -1.273 1.00 0.00 H new ATOM 0 HE22 GLN A 33 0.577 14.740 -0.714 1.00 0.00 H new ATOM 510 N TYR A 34 3.927 8.812 1.062 1.00 0.00 N ATOM 511 CA TYR A 34 4.404 8.086 2.227 1.00 0.00 C ATOM 512 C TYR A 34 5.289 6.904 1.844 1.00 0.00 C ATOM 513 O TYR A 34 6.401 6.807 2.345 1.00 0.00 O ATOM 514 CB TYR A 34 3.194 7.642 3.071 1.00 0.00 C ATOM 515 CG TYR A 34 3.409 6.391 3.907 1.00 0.00 C ATOM 516 CD1 TYR A 34 4.146 6.449 5.104 1.00 0.00 C ATOM 517 CD2 TYR A 34 2.903 5.153 3.459 1.00 0.00 C ATOM 518 CE1 TYR A 34 4.365 5.281 5.855 1.00 0.00 C ATOM 519 CE2 TYR A 34 3.126 3.981 4.202 1.00 0.00 C ATOM 520 CZ TYR A 34 3.862 4.039 5.406 1.00 0.00 C ATOM 521 OH TYR A 34 4.111 2.912 6.125 1.00 0.00 O ATOM 0 H TYR A 34 2.909 8.857 1.021 1.00 0.00 H new ATOM 0 HA TYR A 34 5.032 8.749 2.822 1.00 0.00 H new ATOM 0 HB2 TYR A 34 2.916 8.460 3.736 1.00 0.00 H new ATOM 0 HB3 TYR A 34 2.349 7.472 2.404 1.00 0.00 H new ATOM 0 HD1 TYR A 34 4.544 7.393 5.447 1.00 0.00 H new ATOM 0 HD2 TYR A 34 2.340 5.105 2.538 1.00 0.00 H new ATOM 0 HE1 TYR A 34 4.920 5.333 6.780 1.00 0.00 H new ATOM 0 HE2 TYR A 34 2.735 3.037 3.853 1.00 0.00 H new ATOM 0 HH TYR A 34 3.695 2.143 5.682 1.00 0.00 H new ATOM 531 N ALA A 35 4.819 6.016 0.965 1.00 0.00 N ATOM 532 CA ALA A 35 5.555 4.835 0.547 1.00 0.00 C ATOM 533 C ALA A 35 6.924 5.187 -0.022 1.00 0.00 C ATOM 534 O ALA A 35 7.944 4.684 0.456 1.00 0.00 O ATOM 535 CB ALA A 35 4.721 4.036 -0.459 1.00 0.00 C ATOM 0 H ALA A 35 3.905 6.104 0.522 1.00 0.00 H new ATOM 0 HA ALA A 35 5.736 4.217 1.426 1.00 0.00 H new ATOM 0 HB1 ALA A 35 5.276 3.151 -0.770 1.00 0.00 H new ATOM 0 HB2 ALA A 35 3.784 3.731 0.006 1.00 0.00 H new ATOM 0 HB3 ALA A 35 4.509 4.656 -1.330 1.00 0.00 H new ATOM 541 N ASN A 36 6.939 6.074 -1.020 1.00 0.00 N ATOM 542 CA ASN A 36 8.174 6.496 -1.661 1.00 0.00 C ATOM 543 C ASN A 36 9.075 7.236 -0.674 1.00 0.00 C ATOM 544 O ASN A 36 10.292 7.079 -0.733 1.00 0.00 O ATOM 545 CB ASN A 36 7.871 7.360 -2.885 1.00 0.00 C ATOM 546 CG ASN A 36 9.158 7.616 -3.651 1.00 0.00 C ATOM 547 OD1 ASN A 36 9.763 6.686 -4.171 1.00 0.00 O ATOM 548 ND2 ASN A 36 9.585 8.860 -3.767 1.00 0.00 N ATOM 0 H ASN A 36 6.100 6.513 -1.399 1.00 0.00 H new ATOM 0 HA ASN A 36 8.710 5.608 -1.996 1.00 0.00 H new ATOM 0 HB2 ASN A 36 7.146 6.860 -3.527 1.00 0.00 H new ATOM 0 HB3 ASN A 36 7.424 8.305 -2.576 1.00 0.00 H new ATOM 0 HD21 ASN A 36 10.433 9.061 -4.297 1.00 0.00 H new ATOM 0 HD22 ASN A 36 9.067 9.620 -3.326 1.00 0.00 H new ATOM 555 N ASP A 37 8.497 8.037 0.232 1.00 0.00 N ATOM 556 CA ASP A 37 9.253 8.779 1.244 1.00 0.00 C ATOM 557 C ASP A 37 9.927 7.821 2.216 1.00 0.00 C ATOM 558 O ASP A 37 11.041 8.083 2.666 1.00 0.00 O ATOM 559 CB ASP A 37 8.352 9.738 2.029 1.00 0.00 C ATOM 560 CG ASP A 37 9.157 10.539 3.047 1.00 0.00 C ATOM 561 OD1 ASP A 37 9.850 11.490 2.608 1.00 0.00 O ATOM 562 OD2 ASP A 37 9.002 10.308 4.269 1.00 0.00 O ATOM 0 H ASP A 37 7.489 8.187 0.282 1.00 0.00 H new ATOM 0 HA ASP A 37 10.009 9.362 0.718 1.00 0.00 H new ATOM 0 HB2 ASP A 37 7.852 10.418 1.340 1.00 0.00 H new ATOM 0 HB3 ASP A 37 7.573 9.173 2.540 1.00 0.00 H new ATOM 567 N ASN A 38 9.260 6.704 2.516 1.00 0.00 N ATOM 568 CA ASN A 38 9.765 5.670 3.405 1.00 0.00 C ATOM 569 C ASN A 38 10.898 4.893 2.726 1.00 0.00 C ATOM 570 O ASN A 38 11.589 4.120 3.384 1.00 0.00 O ATOM 571 CB ASN A 38 8.636 4.699 3.810 1.00 0.00 C ATOM 572 CG ASN A 38 8.642 4.389 5.299 1.00 0.00 C ATOM 573 OD1 ASN A 38 9.674 4.386 5.957 1.00 0.00 O ATOM 574 ND2 ASN A 38 7.478 4.136 5.881 1.00 0.00 N ATOM 0 H ASN A 38 8.336 6.495 2.137 1.00 0.00 H new ATOM 0 HA ASN A 38 10.150 6.152 4.303 1.00 0.00 H new ATOM 0 HB2 ASN A 38 7.674 5.131 3.536 1.00 0.00 H new ATOM 0 HB3 ASN A 38 8.740 3.771 3.248 1.00 0.00 H new ATOM 0 HD21 ASN A 38 7.440 3.938 6.881 1.00 0.00 H new ATOM 0 HD22 ASN A 38 6.620 4.140 5.329 1.00 0.00 H new ATOM 581 N GLY A 39 11.110 5.076 1.417 1.00 0.00 N ATOM 582 CA GLY A 39 12.148 4.409 0.648 1.00 0.00 C ATOM 583 C GLY A 39 11.716 3.038 0.135 1.00 0.00 C ATOM 584 O GLY A 39 12.586 2.220 -0.163 1.00 0.00 O ATOM 0 H GLY A 39 10.544 5.712 0.855 1.00 0.00 H new ATOM 0 HA2 GLY A 39 12.427 5.037 -0.198 1.00 0.00 H new ATOM 0 HA3 GLY A 39 13.037 4.296 1.268 1.00 0.00 H new ATOM 588 N VAL A 40 10.412 2.750 0.058 1.00 0.00 N ATOM 589 CA VAL A 40 9.912 1.468 -0.427 1.00 0.00 C ATOM 590 C VAL A 40 9.131 1.716 -1.707 1.00 0.00 C ATOM 591 O VAL A 40 8.349 2.666 -1.837 1.00 0.00 O ATOM 592 CB VAL A 40 9.084 0.734 0.642 1.00 0.00 C ATOM 593 CG1 VAL A 40 8.595 -0.637 0.144 1.00 0.00 C ATOM 594 CG2 VAL A 40 9.922 0.498 1.900 1.00 0.00 C ATOM 0 H VAL A 40 9.677 3.402 0.331 1.00 0.00 H new ATOM 0 HA VAL A 40 10.748 0.803 -0.645 1.00 0.00 H new ATOM 0 HB VAL A 40 8.226 1.369 0.861 1.00 0.00 H new ATOM 0 HG11 VAL A 40 8.014 -1.123 0.928 1.00 0.00 H new ATOM 0 HG12 VAL A 40 7.970 -0.502 -0.739 1.00 0.00 H new ATOM 0 HG13 VAL A 40 9.453 -1.259 -0.110 1.00 0.00 H new ATOM 0 HG21 VAL A 40 9.321 -0.022 2.646 1.00 0.00 H new ATOM 0 HG22 VAL A 40 10.793 -0.108 1.649 1.00 0.00 H new ATOM 0 HG23 VAL A 40 10.251 1.456 2.303 1.00 0.00 H new ATOM 604 N ASP A 41 9.365 0.842 -2.673 1.00 0.00 N ATOM 605 CA ASP A 41 8.738 0.885 -3.973 1.00 0.00 C ATOM 606 C ASP A 41 8.666 -0.541 -4.519 1.00 0.00 C ATOM 607 O ASP A 41 9.293 -1.441 -3.952 1.00 0.00 O ATOM 608 CB ASP A 41 9.552 1.836 -4.852 1.00 0.00 C ATOM 609 CG ASP A 41 8.868 2.059 -6.186 1.00 0.00 C ATOM 610 OD1 ASP A 41 7.618 2.180 -6.169 1.00 0.00 O ATOM 611 OD2 ASP A 41 9.590 2.122 -7.205 1.00 0.00 O ATOM 0 H ASP A 41 10.015 0.064 -2.566 1.00 0.00 H new ATOM 0 HA ASP A 41 7.717 1.264 -3.938 1.00 0.00 H new ATOM 0 HB2 ASP A 41 9.680 2.790 -4.341 1.00 0.00 H new ATOM 0 HB3 ASP A 41 10.548 1.425 -5.014 1.00 0.00 H new ATOM 616 N GLY A 42 7.900 -0.770 -5.583 1.00 0.00 N ATOM 617 CA GLY A 42 7.740 -2.086 -6.170 1.00 0.00 C ATOM 618 C GLY A 42 6.537 -2.103 -7.098 1.00 0.00 C ATOM 619 O GLY A 42 6.181 -1.073 -7.673 1.00 0.00 O ATOM 0 H GLY A 42 7.372 -0.039 -6.061 1.00 0.00 H new ATOM 0 HA2 GLY A 42 8.639 -2.357 -6.723 1.00 0.00 H new ATOM 0 HA3 GLY A 42 7.613 -2.830 -5.384 1.00 0.00 H new ATOM 623 N GLU A 43 5.982 -3.285 -7.331 1.00 0.00 N ATOM 624 CA GLU A 43 4.821 -3.547 -8.167 1.00 0.00 C ATOM 625 C GLU A 43 3.586 -3.270 -7.296 1.00 0.00 C ATOM 626 O GLU A 43 3.455 -3.855 -6.214 1.00 0.00 O ATOM 627 CB GLU A 43 4.900 -5.011 -8.634 1.00 0.00 C ATOM 628 CG GLU A 43 4.376 -5.236 -10.058 1.00 0.00 C ATOM 629 CD GLU A 43 5.492 -5.734 -10.981 1.00 0.00 C ATOM 630 OE1 GLU A 43 6.018 -6.847 -10.756 1.00 0.00 O ATOM 631 OE2 GLU A 43 5.836 -5.034 -11.960 1.00 0.00 O ATOM 0 H GLU A 43 6.355 -4.138 -6.915 1.00 0.00 H new ATOM 0 HA GLU A 43 4.772 -2.919 -9.057 1.00 0.00 H new ATOM 0 HB2 GLU A 43 5.937 -5.344 -8.582 1.00 0.00 H new ATOM 0 HB3 GLU A 43 4.330 -5.634 -7.945 1.00 0.00 H new ATOM 0 HG2 GLU A 43 3.563 -5.962 -10.040 1.00 0.00 H new ATOM 0 HG3 GLU A 43 3.964 -4.306 -10.449 1.00 0.00 H new ATOM 638 N TRP A 44 2.685 -2.393 -7.749 1.00 0.00 N ATOM 639 CA TRP A 44 1.487 -2.008 -7.008 1.00 0.00 C ATOM 640 C TRP A 44 0.219 -2.697 -7.509 1.00 0.00 C ATOM 641 O TRP A 44 -0.393 -2.246 -8.482 1.00 0.00 O ATOM 642 CB TRP A 44 1.363 -0.480 -7.018 1.00 0.00 C ATOM 643 CG TRP A 44 2.429 0.201 -6.213 1.00 0.00 C ATOM 644 CD1 TRP A 44 3.684 0.468 -6.631 1.00 0.00 C ATOM 645 CD2 TRP A 44 2.384 0.615 -4.818 1.00 0.00 C ATOM 646 NE1 TRP A 44 4.432 0.981 -5.591 1.00 0.00 N ATOM 647 CE2 TRP A 44 3.689 1.044 -4.431 1.00 0.00 C ATOM 648 CE3 TRP A 44 1.379 0.636 -3.830 1.00 0.00 C ATOM 649 CZ2 TRP A 44 3.982 1.443 -3.118 1.00 0.00 C ATOM 650 CZ3 TRP A 44 1.654 1.055 -2.519 1.00 0.00 C ATOM 651 CH2 TRP A 44 2.950 1.467 -2.165 1.00 0.00 C ATOM 0 H TRP A 44 2.771 -1.927 -8.652 1.00 0.00 H new ATOM 0 HA TRP A 44 1.598 -2.352 -5.980 1.00 0.00 H new ATOM 0 HB2 TRP A 44 1.410 -0.124 -8.047 1.00 0.00 H new ATOM 0 HB3 TRP A 44 0.385 -0.198 -6.628 1.00 0.00 H new ATOM 0 HD1 TRP A 44 4.050 0.304 -7.634 1.00 0.00 H new ATOM 0 HE1 TRP A 44 5.406 1.275 -5.670 1.00 0.00 H new ATOM 0 HE3 TRP A 44 0.378 0.324 -4.087 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 4.987 1.728 -2.844 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 0.867 1.061 -1.780 1.00 0.00 H new ATOM 0 HH2 TRP A 44 3.153 1.803 -1.159 1.00 0.00 H new ATOM 662 N THR A 45 -0.197 -3.742 -6.794 1.00 0.00 N ATOM 663 CA THR A 45 -1.380 -4.559 -7.051 1.00 0.00 C ATOM 664 C THR A 45 -2.102 -4.792 -5.710 1.00 0.00 C ATOM 665 O THR A 45 -1.462 -4.845 -4.654 1.00 0.00 O ATOM 666 CB THR A 45 -0.941 -5.869 -7.731 1.00 0.00 C ATOM 667 OG1 THR A 45 -0.034 -5.599 -8.781 1.00 0.00 O ATOM 668 CG2 THR A 45 -2.104 -6.625 -8.366 1.00 0.00 C ATOM 0 H THR A 45 0.315 -4.059 -5.970 1.00 0.00 H new ATOM 0 HA THR A 45 -2.079 -4.065 -7.726 1.00 0.00 H new ATOM 0 HB THR A 45 -0.494 -6.471 -6.940 1.00 0.00 H new ATOM 0 HG1 THR A 45 0.238 -6.441 -9.203 1.00 0.00 H new ATOM 0 HG21 THR A 45 -1.734 -7.539 -8.830 1.00 0.00 H new ATOM 0 HG22 THR A 45 -2.836 -6.878 -7.599 1.00 0.00 H new ATOM 0 HG23 THR A 45 -2.575 -5.999 -9.124 1.00 0.00 H new ATOM 676 N TYR A 46 -3.429 -4.956 -5.733 1.00 0.00 N ATOM 677 CA TYR A 46 -4.278 -5.166 -4.560 1.00 0.00 C ATOM 678 C TYR A 46 -5.068 -6.473 -4.649 1.00 0.00 C ATOM 679 O TYR A 46 -5.365 -6.978 -5.736 1.00 0.00 O ATOM 680 CB TYR A 46 -5.183 -3.951 -4.316 1.00 0.00 C ATOM 681 CG TYR A 46 -6.269 -3.742 -5.350 1.00 0.00 C ATOM 682 CD1 TYR A 46 -5.997 -2.994 -6.511 1.00 0.00 C ATOM 683 CD2 TYR A 46 -7.529 -4.348 -5.178 1.00 0.00 C ATOM 684 CE1 TYR A 46 -6.956 -2.910 -7.533 1.00 0.00 C ATOM 685 CE2 TYR A 46 -8.503 -4.244 -6.185 1.00 0.00 C ATOM 686 CZ TYR A 46 -8.207 -3.543 -7.376 1.00 0.00 C ATOM 687 OH TYR A 46 -9.130 -3.446 -8.367 1.00 0.00 O ATOM 0 H TYR A 46 -3.960 -4.945 -6.604 1.00 0.00 H new ATOM 0 HA TYR A 46 -3.627 -5.266 -3.692 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -5.650 -4.056 -3.337 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -4.562 -3.056 -4.278 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -5.050 -2.485 -6.616 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -7.746 -4.893 -4.271 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -6.736 -2.362 -8.437 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -9.474 -4.698 -6.050 1.00 0.00 H new ATOM 0 HH TYR A 46 -9.939 -3.936 -8.110 1.00 0.00 H new ATOM 697 N ASP A 47 -5.346 -7.049 -3.483 1.00 0.00 N ATOM 698 CA ASP A 47 -6.071 -8.291 -3.238 1.00 0.00 C ATOM 699 C ASP A 47 -7.309 -7.917 -2.424 1.00 0.00 C ATOM 700 O ASP A 47 -7.222 -7.615 -1.231 1.00 0.00 O ATOM 701 CB ASP A 47 -5.111 -9.252 -2.525 1.00 0.00 C ATOM 702 CG ASP A 47 -5.716 -10.492 -1.864 1.00 0.00 C ATOM 703 OD1 ASP A 47 -6.949 -10.694 -1.850 1.00 0.00 O ATOM 704 OD2 ASP A 47 -4.901 -11.264 -1.299 1.00 0.00 O ATOM 0 H ASP A 47 -5.043 -6.620 -2.609 1.00 0.00 H new ATOM 0 HA ASP A 47 -6.411 -8.801 -4.139 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -4.369 -9.586 -3.250 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -4.578 -8.689 -1.759 1.00 0.00 H new ATOM 709 N ASP A 48 -8.464 -7.832 -3.093 1.00 0.00 N ATOM 710 CA ASP A 48 -9.730 -7.469 -2.453 1.00 0.00 C ATOM 711 C ASP A 48 -10.221 -8.525 -1.463 1.00 0.00 C ATOM 712 O ASP A 48 -10.746 -8.152 -0.418 1.00 0.00 O ATOM 713 CB ASP A 48 -10.845 -7.163 -3.480 1.00 0.00 C ATOM 714 CG ASP A 48 -11.864 -8.307 -3.619 1.00 0.00 C ATOM 715 OD1 ASP A 48 -11.558 -9.259 -4.365 1.00 0.00 O ATOM 716 OD2 ASP A 48 -12.903 -8.294 -2.912 1.00 0.00 O ATOM 0 H ASP A 48 -8.546 -8.013 -4.093 1.00 0.00 H new ATOM 0 HA ASP A 48 -9.512 -6.558 -1.896 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -11.366 -6.253 -3.182 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -10.392 -6.967 -4.452 1.00 0.00 H new ATOM 721 N ALA A 49 -10.064 -9.817 -1.756 1.00 0.00 N ATOM 722 CA ALA A 49 -10.526 -10.902 -0.900 1.00 0.00 C ATOM 723 C ALA A 49 -9.840 -10.867 0.463 1.00 0.00 C ATOM 724 O ALA A 49 -10.511 -10.860 1.503 1.00 0.00 O ATOM 725 CB ALA A 49 -10.316 -12.231 -1.621 1.00 0.00 C ATOM 0 H ALA A 49 -9.605 -10.140 -2.608 1.00 0.00 H new ATOM 0 HA ALA A 49 -11.591 -10.781 -0.704 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -10.660 -13.048 -0.986 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -10.882 -12.233 -2.553 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -9.256 -12.363 -1.840 1.00 0.00 H new ATOM 731 N THR A 50 -8.509 -10.846 0.471 1.00 0.00 N ATOM 732 CA THR A 50 -7.750 -10.791 1.710 1.00 0.00 C ATOM 733 C THR A 50 -7.734 -9.348 2.245 1.00 0.00 C ATOM 734 O THR A 50 -7.518 -9.156 3.443 1.00 0.00 O ATOM 735 CB THR A 50 -6.328 -11.315 1.461 1.00 0.00 C ATOM 736 OG1 THR A 50 -6.340 -12.489 0.666 1.00 0.00 O ATOM 737 CG2 THR A 50 -5.572 -11.617 2.758 1.00 0.00 C ATOM 0 H THR A 50 -7.935 -10.866 -0.372 1.00 0.00 H new ATOM 0 HA THR A 50 -8.219 -11.423 2.464 1.00 0.00 H new ATOM 0 HB THR A 50 -5.811 -10.513 0.935 1.00 0.00 H new ATOM 0 HG1 THR A 50 -5.803 -12.343 -0.141 1.00 0.00 H new ATOM 0 HG21 THR A 50 -4.574 -11.984 2.520 1.00 0.00 H new ATOM 0 HG22 THR A 50 -5.492 -10.707 3.353 1.00 0.00 H new ATOM 0 HG23 THR A 50 -6.112 -12.375 3.326 1.00 0.00 H new ATOM 745 N LYS A 51 -8.110 -8.351 1.426 1.00 0.00 N ATOM 746 CA LYS A 51 -8.169 -6.917 1.733 1.00 0.00 C ATOM 747 C LYS A 51 -6.756 -6.453 2.085 1.00 0.00 C ATOM 748 O LYS A 51 -6.539 -5.835 3.130 1.00 0.00 O ATOM 749 CB LYS A 51 -9.257 -6.616 2.796 1.00 0.00 C ATOM 750 CG LYS A 51 -10.620 -7.230 2.437 1.00 0.00 C ATOM 751 CD LYS A 51 -11.602 -7.358 3.599 1.00 0.00 C ATOM 752 CE LYS A 51 -12.722 -8.278 3.096 1.00 0.00 C ATOM 753 NZ LYS A 51 -13.737 -8.537 4.128 1.00 0.00 N ATOM 0 H LYS A 51 -8.400 -8.542 0.467 1.00 0.00 H new ATOM 0 HA LYS A 51 -8.490 -6.332 0.871 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -8.932 -7.002 3.762 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -9.366 -5.537 2.904 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -11.081 -6.622 1.658 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -10.454 -8.220 2.012 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -11.115 -7.779 4.479 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -11.996 -6.384 3.888 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -13.198 -7.825 2.227 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -12.292 -9.224 2.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -14.473 -9.163 3.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -13.289 -8.994 4.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -14.168 -7.638 4.425 1.00 0.00 H new ATOM 767 N THR A 52 -5.799 -6.724 1.207 1.00 0.00 N ATOM 768 CA THR A 52 -4.379 -6.420 1.354 1.00 0.00 C ATOM 769 C THR A 52 -3.817 -5.744 0.100 1.00 0.00 C ATOM 770 O THR A 52 -4.351 -5.883 -1.004 1.00 0.00 O ATOM 771 CB THR A 52 -3.638 -7.735 1.672 1.00 0.00 C ATOM 772 OG1 THR A 52 -4.186 -8.784 0.902 1.00 0.00 O ATOM 773 CG2 THR A 52 -3.785 -8.142 3.141 1.00 0.00 C ATOM 0 H THR A 52 -6.003 -7.188 0.322 1.00 0.00 H new ATOM 0 HA THR A 52 -4.235 -5.712 2.170 1.00 0.00 H new ATOM 0 HB THR A 52 -2.586 -7.565 1.445 1.00 0.00 H new ATOM 0 HG1 THR A 52 -3.714 -9.619 1.103 1.00 0.00 H new ATOM 0 HG21 THR A 52 -3.246 -9.073 3.316 1.00 0.00 H new ATOM 0 HG22 THR A 52 -3.373 -7.359 3.778 1.00 0.00 H new ATOM 0 HG23 THR A 52 -4.840 -8.283 3.376 1.00 0.00 H new ATOM 781 N PHE A 53 -2.744 -4.980 0.292 1.00 0.00 N ATOM 782 CA PHE A 53 -2.011 -4.233 -0.711 1.00 0.00 C ATOM 783 C PHE A 53 -0.545 -4.380 -0.260 1.00 0.00 C ATOM 784 O PHE A 53 -0.137 -3.709 0.690 1.00 0.00 O ATOM 785 CB PHE A 53 -2.557 -2.778 -0.687 1.00 0.00 C ATOM 786 CG PHE A 53 -2.665 -2.060 -2.020 1.00 0.00 C ATOM 787 CD1 PHE A 53 -1.596 -2.089 -2.926 1.00 0.00 C ATOM 788 CD2 PHE A 53 -3.821 -1.324 -2.348 1.00 0.00 C ATOM 789 CE1 PHE A 53 -1.692 -1.451 -4.173 1.00 0.00 C ATOM 790 CE2 PHE A 53 -3.898 -0.635 -3.575 1.00 0.00 C ATOM 791 CZ PHE A 53 -2.844 -0.719 -4.500 1.00 0.00 C ATOM 0 H PHE A 53 -2.340 -4.863 1.221 1.00 0.00 H new ATOM 0 HA PHE A 53 -2.109 -4.569 -1.743 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -3.547 -2.795 -0.230 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -1.915 -2.186 -0.035 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -0.687 -2.609 -2.662 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -4.650 -1.288 -1.657 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -0.879 -1.524 -4.881 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -4.770 -0.041 -3.805 1.00 0.00 H new ATOM 0 HZ PHE A 53 -2.920 -0.223 -5.457 1.00 0.00 H new ATOM 801 N THR A 54 0.261 -5.251 -0.881 1.00 0.00 N ATOM 802 CA THR A 54 1.663 -5.453 -0.487 1.00 0.00 C ATOM 803 C THR A 54 2.597 -4.899 -1.559 1.00 0.00 C ATOM 804 O THR A 54 2.547 -5.347 -2.706 1.00 0.00 O ATOM 805 CB THR A 54 1.955 -6.944 -0.221 1.00 0.00 C ATOM 806 OG1 THR A 54 1.130 -7.453 0.815 1.00 0.00 O ATOM 807 CG2 THR A 54 3.403 -7.166 0.243 1.00 0.00 C ATOM 0 H THR A 54 -0.037 -5.832 -1.665 1.00 0.00 H new ATOM 0 HA THR A 54 1.840 -4.910 0.442 1.00 0.00 H new ATOM 0 HB THR A 54 1.766 -7.453 -1.166 1.00 0.00 H new ATOM 0 HG1 THR A 54 1.335 -8.400 0.961 1.00 0.00 H new ATOM 0 HG21 THR A 54 3.569 -8.229 0.420 1.00 0.00 H new ATOM 0 HG22 THR A 54 4.090 -6.814 -0.527 1.00 0.00 H new ATOM 0 HG23 THR A 54 3.578 -6.613 1.166 1.00 0.00 H new ATOM 815 N VAL A 55 3.530 -4.024 -1.181 1.00 0.00 N ATOM 816 CA VAL A 55 4.477 -3.435 -2.121 1.00 0.00 C ATOM 817 C VAL A 55 5.538 -4.508 -2.260 1.00 0.00 C ATOM 818 O VAL A 55 6.349 -4.709 -1.359 1.00 0.00 O ATOM 819 CB VAL A 55 5.095 -2.131 -1.578 1.00 0.00 C ATOM 820 CG1 VAL A 55 5.885 -1.433 -2.693 1.00 0.00 C ATOM 821 CG2 VAL A 55 4.026 -1.183 -1.049 1.00 0.00 C ATOM 0 H VAL A 55 3.648 -3.707 -0.219 1.00 0.00 H new ATOM 0 HA VAL A 55 4.006 -3.158 -3.064 1.00 0.00 H new ATOM 0 HB VAL A 55 5.758 -2.392 -0.753 1.00 0.00 H new ATOM 0 HG11 VAL A 55 6.321 -0.511 -2.308 1.00 0.00 H new ATOM 0 HG12 VAL A 55 6.680 -2.092 -3.043 1.00 0.00 H new ATOM 0 HG13 VAL A 55 5.216 -1.199 -3.521 1.00 0.00 H new ATOM 0 HG21 VAL A 55 4.498 -0.275 -0.674 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.336 -0.928 -1.853 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.478 -1.667 -0.240 1.00 0.00 H new ATOM 831 N THR A 56 5.451 -5.247 -3.356 1.00 0.00 N ATOM 832 CA THR A 56 6.335 -6.348 -3.671 1.00 0.00 C ATOM 833 C THR A 56 7.105 -5.935 -4.906 1.00 0.00 C ATOM 834 O THR A 56 6.506 -5.685 -5.948 1.00 0.00 O ATOM 835 CB THR A 56 5.489 -7.609 -3.880 1.00 0.00 C ATOM 836 OG1 THR A 56 4.466 -7.658 -2.895 1.00 0.00 O ATOM 837 CG2 THR A 56 6.327 -8.880 -3.766 1.00 0.00 C ATOM 0 H THR A 56 4.740 -5.088 -4.070 1.00 0.00 H new ATOM 0 HA THR A 56 7.043 -6.577 -2.875 1.00 0.00 H new ATOM 0 HB THR A 56 5.066 -7.560 -4.883 1.00 0.00 H new ATOM 0 HG1 THR A 56 3.923 -8.463 -3.028 1.00 0.00 H new ATOM 0 HG21 THR A 56 5.690 -9.751 -3.920 1.00 0.00 H new ATOM 0 HG22 THR A 56 7.113 -8.867 -4.521 1.00 0.00 H new ATOM 0 HG23 THR A 56 6.777 -8.931 -2.775 1.00 0.00 H new ATOM 845 N GLU A 57 8.403 -5.716 -4.748 1.00 0.00 N ATOM 846 CA GLU A 57 9.270 -5.323 -5.838 1.00 0.00 C ATOM 847 C GLU A 57 9.402 -6.481 -6.812 1.00 0.00 C ATOM 848 O GLU A 57 9.416 -7.647 -6.347 1.00 0.00 O ATOM 849 CB GLU A 57 10.606 -4.868 -5.251 1.00 0.00 C ATOM 850 CG GLU A 57 11.360 -3.988 -6.246 1.00 0.00 C ATOM 851 CD GLU A 57 12.723 -3.564 -5.713 1.00 0.00 C ATOM 852 OE1 GLU A 57 12.844 -3.169 -4.529 1.00 0.00 O ATOM 853 OE2 GLU A 57 13.709 -3.654 -6.481 1.00 0.00 O ATOM 0 H GLU A 57 8.882 -5.808 -3.852 1.00 0.00 H new ATOM 0 HA GLU A 57 8.859 -4.486 -6.402 1.00 0.00 H new ATOM 0 HB2 GLU A 57 10.434 -4.316 -4.327 1.00 0.00 H new ATOM 0 HB3 GLU A 57 11.212 -5.737 -4.995 1.00 0.00 H new ATOM 0 HG2 GLU A 57 11.489 -4.529 -7.183 1.00 0.00 H new ATOM 0 HG3 GLU A 57 10.766 -3.102 -6.469 1.00 0.00 H new TER 860 GLU A 57