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 50 THR OG1 : rot -98:sc= 0.664 USER MOD Set 1.2: A 52 THR OG1 : rot 104:sc= 0.112 USER MOD Set 2.1: A 45 THR OG1 : rot 170:sc= -0.281 USER MOD Set 2.2: A 54 THR OG1 : rot 120:sc= 0.395 USER MOD Single : A 2 THR OG1 : rot 31:sc= 0.183 USER MOD Single : A 3 THR OG1 : rot 180:sc= -1.03 USER MOD Single : A 5 LYS NZ :NH3+ 177:sc= 0.00475 (180deg=0.00241) USER MOD Single : A 9 ASN : amide:sc= -0.803 K(o=-0.8,f=-1.4!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot -170:sc= 0.024 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 1:sc= 1.8 USER MOD Single : A 29 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.000824) USER MOD Single : A 32 LYS NZ :NH3+ -174:sc= 0.00217 (180deg=0.00095) USER MOD Single : A 33 GLN : amide:sc= -0.503 K(o=-0.5,f=0) USER MOD Single : A 34 TYR OH : rot 165:sc= -0.121 USER MOD Single : A 36 ASN : amide:sc= -0.527 K(o=-0.53,f=0) USER MOD Single : A 38 ASN : amide:sc= -0.147 X(o=-0.15,f=-0.012) USER MOD Single : A 46 TYR OH : rot 180:sc= -0.632 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 THR OG1 : rot 180:sc= -1.77! USER MOD ----------------------------------------------------------------- ATOM 20 N THR A 2 -1.928 -12.385 6.175 1.00 0.00 N ATOM 21 CA THR A 2 -1.988 -11.548 4.940 1.00 0.00 C ATOM 22 C THR A 2 -0.773 -10.614 4.873 1.00 0.00 C ATOM 23 O THR A 2 0.115 -10.796 4.062 1.00 0.00 O ATOM 24 CB THR A 2 -3.291 -10.752 5.068 1.00 0.00 C ATOM 25 OG1 THR A 2 -4.385 -11.656 5.145 1.00 0.00 O ATOM 26 CG2 THR A 2 -3.467 -9.846 3.848 1.00 0.00 C ATOM 0 HA THR A 2 -1.969 -12.145 4.028 1.00 0.00 H new ATOM 0 HB THR A 2 -3.254 -10.139 5.968 1.00 0.00 H new ATOM 0 HG1 THR A 2 -4.096 -12.482 5.587 1.00 0.00 H new ATOM 0 HG21 THR A 2 -4.395 -9.282 3.944 1.00 0.00 H new ATOM 0 HG22 THR A 2 -2.627 -9.154 3.784 1.00 0.00 H new ATOM 0 HG23 THR A 2 -3.504 -10.455 2.945 1.00 0.00 H new ATOM 34 N THR A 3 -0.728 -9.614 5.720 1.00 0.00 N ATOM 35 CA THR A 3 0.423 -8.654 5.721 1.00 0.00 C ATOM 36 C THR A 3 0.715 -8.133 4.307 1.00 0.00 C ATOM 37 O THR A 3 1.660 -8.554 3.665 1.00 0.00 O ATOM 38 CB THR A 3 1.620 -9.446 6.249 1.00 0.00 C ATOM 39 OG1 THR A 3 1.243 -10.144 7.430 1.00 0.00 O ATOM 40 CG2 THR A 3 2.769 -8.483 6.566 1.00 0.00 C ATOM 0 H THR A 3 -1.446 -9.419 6.418 1.00 0.00 H new ATOM 0 HA THR A 3 0.204 -7.781 6.336 1.00 0.00 H new ATOM 0 HB THR A 3 1.945 -10.162 5.494 1.00 0.00 H new ATOM 0 HG1 THR A 3 2.009 -10.653 7.768 1.00 0.00 H new ATOM 0 HG21 THR A 3 3.623 -9.047 6.942 1.00 0.00 H new ATOM 0 HG22 THR A 3 3.057 -7.950 5.660 1.00 0.00 H new ATOM 0 HG23 THR A 3 2.446 -7.767 7.321 1.00 0.00 H new ATOM 48 N PHE A 4 -0.085 -7.217 3.826 1.00 0.00 N ATOM 49 CA PHE A 4 0.149 -6.661 2.458 1.00 0.00 C ATOM 50 C PHE A 4 1.359 -5.727 2.482 1.00 0.00 C ATOM 51 O PHE A 4 1.593 -5.032 3.453 1.00 0.00 O ATOM 52 CB PHE A 4 -1.127 -5.891 2.116 1.00 0.00 C ATOM 53 CG PHE A 4 -2.098 -6.818 1.431 1.00 0.00 C ATOM 54 CD1 PHE A 4 -1.880 -7.198 0.103 1.00 0.00 C ATOM 55 CD2 PHE A 4 -3.213 -7.307 2.124 1.00 0.00 C ATOM 56 CE1 PHE A 4 -2.773 -8.066 -0.533 1.00 0.00 C ATOM 57 CE2 PHE A 4 -4.106 -8.174 1.484 1.00 0.00 C ATOM 58 CZ PHE A 4 -3.886 -8.555 0.158 1.00 0.00 C ATOM 0 H PHE A 4 -0.889 -6.830 4.320 1.00 0.00 H new ATOM 0 HA PHE A 4 0.357 -7.436 1.720 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -1.574 -5.483 3.023 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -0.893 -5.046 1.468 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -1.021 -6.821 -0.432 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -3.383 -7.016 3.150 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -2.603 -8.359 -1.559 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -4.967 -8.549 2.017 1.00 0.00 H new ATOM 0 HZ PHE A 4 -4.575 -9.227 -0.333 1.00 0.00 H new ATOM 68 N LYS A 5 2.130 -5.709 1.425 1.00 0.00 N ATOM 69 CA LYS A 5 3.331 -4.823 1.384 1.00 0.00 C ATOM 70 C LYS A 5 3.103 -3.670 0.402 1.00 0.00 C ATOM 71 O LYS A 5 2.031 -3.528 -0.158 1.00 0.00 O ATOM 72 CB LYS A 5 4.472 -5.722 0.905 1.00 0.00 C ATOM 73 CG LYS A 5 4.694 -6.848 1.917 1.00 0.00 C ATOM 74 CD LYS A 5 5.139 -8.115 1.184 1.00 0.00 C ATOM 75 CE LYS A 5 4.660 -9.349 1.955 1.00 0.00 C ATOM 76 NZ LYS A 5 3.399 -9.759 1.276 1.00 0.00 N ATOM 0 H LYS A 5 1.979 -6.271 0.587 1.00 0.00 H new ATOM 0 HA LYS A 5 3.548 -4.375 2.354 1.00 0.00 H new ATOM 0 HB2 LYS A 5 4.234 -6.140 -0.073 1.00 0.00 H new ATOM 0 HB3 LYS A 5 5.385 -5.138 0.789 1.00 0.00 H new ATOM 0 HG2 LYS A 5 5.449 -6.553 2.645 1.00 0.00 H new ATOM 0 HG3 LYS A 5 3.775 -7.040 2.471 1.00 0.00 H new ATOM 0 HD2 LYS A 5 4.732 -8.125 0.173 1.00 0.00 H new ATOM 0 HD3 LYS A 5 6.225 -8.131 1.090 1.00 0.00 H new ATOM 0 HE2 LYS A 5 5.402 -10.147 1.925 1.00 0.00 H new ATOM 0 HE3 LYS A 5 4.485 -9.116 3.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 3.036 -10.629 1.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 2.692 -9.002 1.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 3.588 -9.932 0.268 1.00 0.00 H new ATOM 90 N LEU A 6 4.099 -2.846 0.192 1.00 0.00 N ATOM 91 CA LEU A 6 3.939 -1.698 -0.751 1.00 0.00 C ATOM 92 C LEU A 6 5.307 -1.261 -1.292 1.00 0.00 C ATOM 93 O LEU A 6 6.171 -0.841 -0.547 1.00 0.00 O ATOM 94 CB LEU A 6 3.299 -0.589 0.099 1.00 0.00 C ATOM 95 CG LEU A 6 3.216 0.723 -0.695 1.00 0.00 C ATOM 96 CD1 LEU A 6 2.290 0.543 -1.899 1.00 0.00 C ATOM 97 CD2 LEU A 6 2.661 1.828 0.206 1.00 0.00 C ATOM 0 H LEU A 6 5.016 -2.919 0.633 1.00 0.00 H new ATOM 0 HA LEU A 6 3.330 -1.947 -1.620 1.00 0.00 H new ATOM 0 HB2 LEU A 6 2.301 -0.894 0.412 1.00 0.00 H new ATOM 0 HB3 LEU A 6 3.884 -0.435 1.006 1.00 0.00 H new ATOM 0 HG LEU A 6 4.213 0.995 -1.042 1.00 0.00 H new ATOM 0 HD11 LEU A 6 2.235 1.477 -2.458 1.00 0.00 H new ATOM 0 HD12 LEU A 6 2.681 -0.244 -2.544 1.00 0.00 H new ATOM 0 HD13 LEU A 6 1.293 0.268 -1.554 1.00 0.00 H new ATOM 0 HD21 LEU A 6 2.601 2.760 -0.356 1.00 0.00 H new ATOM 0 HD22 LEU A 6 1.666 1.549 0.553 1.00 0.00 H new ATOM 0 HD23 LEU A 6 3.320 1.963 1.064 1.00 0.00 H new ATOM 109 N ILE A 7 5.495 -1.338 -2.585 1.00 0.00 N ATOM 110 CA ILE A 7 6.792 -0.910 -3.181 1.00 0.00 C ATOM 111 C ILE A 7 6.726 0.585 -3.484 1.00 0.00 C ATOM 112 O ILE A 7 6.026 1.019 -4.388 1.00 0.00 O ATOM 113 CB ILE A 7 6.939 -1.730 -4.467 1.00 0.00 C ATOM 114 CG1 ILE A 7 6.999 -3.218 -4.112 1.00 0.00 C ATOM 115 CG2 ILE A 7 8.230 -1.331 -5.190 1.00 0.00 C ATOM 116 CD1 ILE A 7 6.358 -4.039 -5.232 1.00 0.00 C ATOM 0 H ILE A 7 4.804 -1.680 -3.253 1.00 0.00 H new ATOM 0 HA ILE A 7 7.642 -1.073 -2.518 1.00 0.00 H new ATOM 0 HB ILE A 7 6.086 -1.538 -5.118 1.00 0.00 H new ATOM 0 HG12 ILE A 7 8.035 -3.526 -3.968 1.00 0.00 H new ATOM 0 HG13 ILE A 7 6.479 -3.399 -3.171 1.00 0.00 H new ATOM 0 HG21 ILE A 7 8.331 -1.916 -6.104 1.00 0.00 H new ATOM 0 HG22 ILE A 7 8.194 -0.271 -5.440 1.00 0.00 H new ATOM 0 HG23 ILE A 7 9.084 -1.522 -4.541 1.00 0.00 H new ATOM 0 HD11 ILE A 7 6.402 -5.098 -4.978 1.00 0.00 H new ATOM 0 HD12 ILE A 7 5.318 -3.738 -5.354 1.00 0.00 H new ATOM 0 HD13 ILE A 7 6.897 -3.867 -6.164 1.00 0.00 H new ATOM 128 N ILE A 8 7.438 1.379 -2.728 1.00 0.00 N ATOM 129 CA ILE A 8 7.402 2.848 -2.969 1.00 0.00 C ATOM 130 C ILE A 8 8.405 3.214 -4.063 1.00 0.00 C ATOM 131 O ILE A 8 9.601 3.204 -3.841 1.00 0.00 O ATOM 132 CB ILE A 8 7.804 3.547 -1.660 1.00 0.00 C ATOM 133 CG1 ILE A 8 7.085 2.927 -0.424 1.00 0.00 C ATOM 134 CG2 ILE A 8 7.471 5.044 -1.792 1.00 0.00 C ATOM 135 CD1 ILE A 8 5.645 3.438 -0.277 1.00 0.00 C ATOM 0 H ILE A 8 8.038 1.075 -1.961 1.00 0.00 H new ATOM 0 HA ILE A 8 6.405 3.157 -3.284 1.00 0.00 H new ATOM 0 HB ILE A 8 8.873 3.410 -1.496 1.00 0.00 H new ATOM 0 HG12 ILE A 8 7.076 1.841 -0.517 1.00 0.00 H new ATOM 0 HG13 ILE A 8 7.647 3.165 0.479 1.00 0.00 H new ATOM 0 HG21 ILE A 8 7.748 5.561 -0.873 1.00 0.00 H new ATOM 0 HG22 ILE A 8 8.026 5.468 -2.629 1.00 0.00 H new ATOM 0 HG23 ILE A 8 6.402 5.165 -1.968 1.00 0.00 H new ATOM 0 HD11 ILE A 8 5.184 2.979 0.597 1.00 0.00 H new ATOM 0 HD12 ILE A 8 5.654 4.521 -0.156 1.00 0.00 H new ATOM 0 HD13 ILE A 8 5.074 3.177 -1.168 1.00 0.00 H new ATOM 147 N ASN A 9 7.930 3.543 -5.234 1.00 0.00 N ATOM 148 CA ASN A 9 8.860 3.920 -6.341 1.00 0.00 C ATOM 149 C ASN A 9 9.395 5.337 -6.120 1.00 0.00 C ATOM 150 O ASN A 9 10.478 5.681 -6.552 1.00 0.00 O ATOM 151 CB ASN A 9 8.012 3.887 -7.607 1.00 0.00 C ATOM 152 CG ASN A 9 7.922 2.466 -8.176 1.00 0.00 C ATOM 153 OD1 ASN A 9 8.371 1.521 -7.559 1.00 0.00 O ATOM 154 ND2 ASN A 9 7.352 2.276 -9.345 1.00 0.00 N ATOM 0 H ASN A 9 6.939 3.567 -5.473 1.00 0.00 H new ATOM 0 HA ASN A 9 9.716 3.247 -6.397 1.00 0.00 H new ATOM 0 HB2 ASN A 9 7.011 4.258 -7.387 1.00 0.00 H new ATOM 0 HB3 ASN A 9 8.442 4.554 -8.354 1.00 0.00 H new ATOM 0 HD21 ASN A 9 7.287 1.335 -9.734 1.00 0.00 H new ATOM 0 HD22 ASN A 9 6.975 3.069 -9.863 1.00 0.00 H new ATOM 161 N GLY A 10 8.627 6.158 -5.459 1.00 0.00 N ATOM 162 CA GLY A 10 9.049 7.570 -5.202 1.00 0.00 C ATOM 163 C GLY A 10 10.394 7.598 -4.466 1.00 0.00 C ATOM 164 O GLY A 10 10.854 6.591 -3.960 1.00 0.00 O ATOM 0 H GLY A 10 7.713 5.910 -5.080 1.00 0.00 H new ATOM 0 HA2 GLY A 10 9.132 8.109 -6.146 1.00 0.00 H new ATOM 0 HA3 GLY A 10 8.291 8.081 -4.608 1.00 0.00 H new ATOM 168 N LYS A 11 11.025 8.744 -4.412 1.00 0.00 N ATOM 169 CA LYS A 11 12.345 8.847 -3.717 1.00 0.00 C ATOM 170 C LYS A 11 12.152 9.028 -2.204 1.00 0.00 C ATOM 171 O LYS A 11 12.966 8.594 -1.412 1.00 0.00 O ATOM 172 CB LYS A 11 13.038 10.070 -4.343 1.00 0.00 C ATOM 173 CG LYS A 11 12.289 11.365 -3.983 1.00 0.00 C ATOM 174 CD LYS A 11 12.539 12.428 -5.064 1.00 0.00 C ATOM 175 CE LYS A 11 11.236 12.731 -5.809 1.00 0.00 C ATOM 176 NZ LYS A 11 10.667 13.923 -5.120 1.00 0.00 N ATOM 0 H LYS A 11 10.683 9.614 -4.820 1.00 0.00 H new ATOM 0 HA LYS A 11 12.943 7.944 -3.838 1.00 0.00 H new ATOM 0 HB2 LYS A 11 14.068 10.130 -3.991 1.00 0.00 H new ATOM 0 HB3 LYS A 11 13.078 9.956 -5.426 1.00 0.00 H new ATOM 0 HG2 LYS A 11 11.221 11.166 -3.896 1.00 0.00 H new ATOM 0 HG3 LYS A 11 12.625 11.733 -3.014 1.00 0.00 H new ATOM 0 HD2 LYS A 11 12.927 13.339 -4.608 1.00 0.00 H new ATOM 0 HD3 LYS A 11 13.295 12.075 -5.765 1.00 0.00 H new ATOM 0 HE2 LYS A 11 11.422 12.936 -6.863 1.00 0.00 H new ATOM 0 HE3 LYS A 11 10.550 11.885 -5.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 9.771 14.192 -5.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 10.494 13.696 -4.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 11.339 14.714 -5.184 1.00 0.00 H new ATOM 190 N THR A 12 11.080 9.667 -1.801 1.00 0.00 N ATOM 191 CA THR A 12 10.828 9.881 -0.338 1.00 0.00 C ATOM 192 C THR A 12 10.813 8.537 0.399 1.00 0.00 C ATOM 193 O THR A 12 11.190 8.443 1.553 1.00 0.00 O ATOM 194 CB THR A 12 9.453 10.548 -0.259 1.00 0.00 C ATOM 195 OG1 THR A 12 8.566 9.910 -1.168 1.00 0.00 O ATOM 196 CG2 THR A 12 9.582 12.028 -0.623 1.00 0.00 C ATOM 0 H THR A 12 10.367 10.050 -2.422 1.00 0.00 H new ATOM 0 HA THR A 12 11.603 10.492 0.126 1.00 0.00 H new ATOM 0 HB THR A 12 9.062 10.458 0.754 1.00 0.00 H new ATOM 0 HG1 THR A 12 7.738 10.430 -1.236 1.00 0.00 H new ATOM 0 HG21 THR A 12 8.603 12.503 -0.567 1.00 0.00 H new ATOM 0 HG22 THR A 12 10.263 12.516 0.074 1.00 0.00 H new ATOM 0 HG23 THR A 12 9.973 12.121 -1.636 1.00 0.00 H new ATOM 204 N LEU A 13 10.384 7.500 -0.269 1.00 0.00 N ATOM 205 CA LEU A 13 10.341 6.150 0.365 1.00 0.00 C ATOM 206 C LEU A 13 10.825 5.098 -0.638 1.00 0.00 C ATOM 207 O LEU A 13 10.564 5.202 -1.823 1.00 0.00 O ATOM 208 CB LEU A 13 8.866 5.918 0.707 1.00 0.00 C ATOM 209 CG LEU A 13 8.628 6.110 2.204 1.00 0.00 C ATOM 210 CD1 LEU A 13 7.121 6.100 2.476 1.00 0.00 C ATOM 211 CD2 LEU A 13 9.291 4.967 2.978 1.00 0.00 C ATOM 0 H LEU A 13 10.059 7.531 -1.235 1.00 0.00 H new ATOM 0 HA LEU A 13 10.978 6.081 1.247 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.242 6.610 0.142 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.572 4.911 0.412 1.00 0.00 H new ATOM 0 HG LEU A 13 9.055 7.060 2.525 1.00 0.00 H new ATOM 0 HD11 LEU A 13 6.943 6.237 3.543 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.646 6.910 1.922 1.00 0.00 H new ATOM 0 HD13 LEU A 13 6.700 5.147 2.157 1.00 0.00 H new ATOM 0 HD21 LEU A 13 9.121 5.104 4.046 1.00 0.00 H new ATOM 0 HD22 LEU A 13 8.862 4.016 2.661 1.00 0.00 H new ATOM 0 HD23 LEU A 13 10.363 4.966 2.778 1.00 0.00 H new ATOM 223 N LYS A 14 11.522 4.092 -0.178 1.00 0.00 N ATOM 224 CA LYS A 14 12.018 3.040 -1.102 1.00 0.00 C ATOM 225 C LYS A 14 12.035 1.678 -0.406 1.00 0.00 C ATOM 226 O LYS A 14 13.033 1.277 0.160 1.00 0.00 O ATOM 227 CB LYS A 14 13.437 3.468 -1.479 1.00 0.00 C ATOM 228 CG LYS A 14 13.397 4.837 -2.160 1.00 0.00 C ATOM 229 CD LYS A 14 14.679 5.042 -2.969 1.00 0.00 C ATOM 230 CE LYS A 14 14.536 4.364 -4.332 1.00 0.00 C ATOM 231 NZ LYS A 14 15.908 3.900 -4.678 1.00 0.00 N ATOM 0 H LYS A 14 11.768 3.957 0.803 1.00 0.00 H new ATOM 0 HA LYS A 14 11.379 2.937 -1.979 1.00 0.00 H new ATOM 0 HB2 LYS A 14 14.063 3.512 -0.588 1.00 0.00 H new ATOM 0 HB3 LYS A 14 13.884 2.732 -2.147 1.00 0.00 H new ATOM 0 HG2 LYS A 14 12.527 4.905 -2.813 1.00 0.00 H new ATOM 0 HG3 LYS A 14 13.296 5.624 -1.413 1.00 0.00 H new ATOM 0 HD2 LYS A 14 14.873 6.107 -3.099 1.00 0.00 H new ATOM 0 HD3 LYS A 14 15.531 4.626 -2.432 1.00 0.00 H new ATOM 0 HE2 LYS A 14 13.837 3.529 -4.286 1.00 0.00 H new ATOM 0 HE3 LYS A 14 14.154 5.059 -5.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 15.891 3.424 -5.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 16.550 4.717 -4.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 16.243 3.235 -3.952 1.00 0.00 H new ATOM 245 N GLY A 15 10.938 0.965 -0.452 1.00 0.00 N ATOM 246 CA GLY A 15 10.890 -0.378 0.201 1.00 0.00 C ATOM 247 C GLY A 15 9.447 -0.736 0.558 1.00 0.00 C ATOM 248 O GLY A 15 8.508 -0.133 0.072 1.00 0.00 O ATOM 0 H GLY A 15 10.075 1.254 -0.913 1.00 0.00 H new ATOM 0 HA2 GLY A 15 11.305 -1.132 -0.468 1.00 0.00 H new ATOM 0 HA3 GLY A 15 11.506 -0.376 1.100 1.00 0.00 H new ATOM 252 N GLU A 16 9.271 -1.718 1.405 1.00 0.00 N ATOM 253 CA GLU A 16 7.895 -2.136 1.810 1.00 0.00 C ATOM 254 C GLU A 16 7.742 -2.049 3.329 1.00 0.00 C ATOM 255 O GLU A 16 8.691 -2.237 4.069 1.00 0.00 O ATOM 256 CB GLU A 16 7.770 -3.585 1.339 1.00 0.00 C ATOM 257 CG GLU A 16 7.771 -3.628 -0.190 1.00 0.00 C ATOM 258 CD GLU A 16 8.306 -4.981 -0.664 1.00 0.00 C ATOM 259 OE1 GLU A 16 9.477 -5.243 -0.445 1.00 0.00 O ATOM 260 OE2 GLU A 16 7.535 -5.732 -1.238 1.00 0.00 O ATOM 0 H GLU A 16 10.026 -2.251 1.836 1.00 0.00 H new ATOM 0 HA GLU A 16 7.124 -1.498 1.378 1.00 0.00 H new ATOM 0 HB2 GLU A 16 8.597 -4.178 1.730 1.00 0.00 H new ATOM 0 HB3 GLU A 16 6.851 -4.026 1.725 1.00 0.00 H new ATOM 0 HG2 GLU A 16 6.761 -3.472 -0.569 1.00 0.00 H new ATOM 0 HG3 GLU A 16 8.389 -2.822 -0.586 1.00 0.00 H new ATOM 267 N ILE A 17 6.553 -1.768 3.798 1.00 0.00 N ATOM 268 CA ILE A 17 6.327 -1.668 5.272 1.00 0.00 C ATOM 269 C ILE A 17 5.619 -2.927 5.799 1.00 0.00 C ATOM 270 O ILE A 17 5.600 -3.164 6.987 1.00 0.00 O ATOM 271 CB ILE A 17 5.440 -0.428 5.456 1.00 0.00 C ATOM 272 CG1 ILE A 17 6.161 0.815 4.906 1.00 0.00 C ATOM 273 CG2 ILE A 17 5.132 -0.225 6.944 1.00 0.00 C ATOM 274 CD1 ILE A 17 7.486 1.038 5.649 1.00 0.00 C ATOM 0 H ILE A 17 5.727 -1.603 3.223 1.00 0.00 H new ATOM 0 HA ILE A 17 7.263 -1.585 5.825 1.00 0.00 H new ATOM 0 HB ILE A 17 4.507 -0.575 4.912 1.00 0.00 H new ATOM 0 HG12 ILE A 17 6.351 0.691 3.840 1.00 0.00 H new ATOM 0 HG13 ILE A 17 5.523 1.692 5.016 1.00 0.00 H new ATOM 0 HG21 ILE A 17 4.502 0.656 7.068 1.00 0.00 H new ATOM 0 HG22 ILE A 17 4.611 -1.101 7.330 1.00 0.00 H new ATOM 0 HG23 ILE A 17 6.063 -0.086 7.493 1.00 0.00 H new ATOM 0 HD11 ILE A 17 7.984 1.921 5.248 1.00 0.00 H new ATOM 0 HD12 ILE A 17 7.288 1.184 6.711 1.00 0.00 H new ATOM 0 HD13 ILE A 17 8.129 0.168 5.516 1.00 0.00 H new ATOM 286 N THR A 18 5.039 -3.723 4.923 1.00 0.00 N ATOM 287 CA THR A 18 4.322 -4.978 5.348 1.00 0.00 C ATOM 288 C THR A 18 3.285 -4.677 6.439 1.00 0.00 C ATOM 289 O THR A 18 3.618 -4.420 7.581 1.00 0.00 O ATOM 290 CB THR A 18 5.395 -5.962 5.859 1.00 0.00 C ATOM 291 OG1 THR A 18 5.856 -5.561 7.141 1.00 0.00 O ATOM 292 CG2 THR A 18 6.579 -6.026 4.883 1.00 0.00 C ATOM 0 H THR A 18 5.032 -3.554 3.917 1.00 0.00 H new ATOM 0 HA THR A 18 3.775 -5.410 4.510 1.00 0.00 H new ATOM 0 HB THR A 18 4.944 -6.952 5.931 1.00 0.00 H new ATOM 0 HG1 THR A 18 5.374 -4.756 7.425 1.00 0.00 H new ATOM 0 HG21 THR A 18 7.325 -6.725 5.261 1.00 0.00 H new ATOM 0 HG22 THR A 18 6.228 -6.362 3.907 1.00 0.00 H new ATOM 0 HG23 THR A 18 7.025 -5.036 4.787 1.00 0.00 H new ATOM 300 N ILE A 19 2.025 -4.716 6.089 1.00 0.00 N ATOM 301 CA ILE A 19 0.953 -4.433 7.097 1.00 0.00 C ATOM 302 C ILE A 19 -0.187 -5.449 6.976 1.00 0.00 C ATOM 303 O ILE A 19 -0.650 -5.753 5.893 1.00 0.00 O ATOM 304 CB ILE A 19 0.454 -3.014 6.780 1.00 0.00 C ATOM 305 CG1 ILE A 19 -0.121 -2.953 5.356 1.00 0.00 C ATOM 306 CG2 ILE A 19 1.617 -2.026 6.901 1.00 0.00 C ATOM 307 CD1 ILE A 19 -1.644 -3.099 5.409 1.00 0.00 C ATOM 0 H ILE A 19 1.690 -4.931 5.150 1.00 0.00 H new ATOM 0 HA ILE A 19 1.329 -4.509 8.117 1.00 0.00 H new ATOM 0 HB ILE A 19 -0.331 -2.751 7.489 1.00 0.00 H new ATOM 0 HG12 ILE A 19 0.147 -2.007 4.885 1.00 0.00 H new ATOM 0 HG13 ILE A 19 0.309 -3.747 4.745 1.00 0.00 H new ATOM 0 HG21 ILE A 19 1.264 -1.019 6.676 1.00 0.00 H new ATOM 0 HG22 ILE A 19 2.014 -2.053 7.916 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.402 -2.301 6.197 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -2.049 -3.055 4.398 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -1.902 -4.056 5.862 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -2.067 -2.290 6.004 1.00 0.00 H new ATOM 319 N GLU A 20 -0.638 -5.975 8.087 1.00 0.00 N ATOM 320 CA GLU A 20 -1.750 -6.975 8.057 1.00 0.00 C ATOM 321 C GLU A 20 -3.090 -6.270 7.822 1.00 0.00 C ATOM 322 O GLU A 20 -3.326 -5.188 8.326 1.00 0.00 O ATOM 323 CB GLU A 20 -1.729 -7.637 9.438 1.00 0.00 C ATOM 324 CG GLU A 20 -1.003 -8.983 9.357 1.00 0.00 C ATOM 325 CD GLU A 20 -0.156 -9.187 10.617 1.00 0.00 C ATOM 326 OE1 GLU A 20 0.487 -8.238 11.034 1.00 0.00 O ATOM 327 OE2 GLU A 20 -0.165 -10.289 11.142 1.00 0.00 O ATOM 0 H GLU A 20 -0.283 -5.754 9.017 1.00 0.00 H new ATOM 0 HA GLU A 20 -1.627 -7.702 7.255 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -1.229 -6.986 10.156 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -2.748 -7.784 9.797 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -1.726 -9.792 9.258 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -0.368 -9.013 8.471 1.00 0.00 H new ATOM 334 N ALA A 21 -3.966 -6.878 7.062 1.00 0.00 N ATOM 335 CA ALA A 21 -5.295 -6.251 6.792 1.00 0.00 C ATOM 336 C ALA A 21 -6.313 -7.319 6.382 1.00 0.00 C ATOM 337 O ALA A 21 -5.953 -8.406 5.972 1.00 0.00 O ATOM 338 CB ALA A 21 -5.049 -5.278 5.639 1.00 0.00 C ATOM 0 H ALA A 21 -3.817 -7.783 6.616 1.00 0.00 H new ATOM 0 HA ALA A 21 -5.698 -5.749 7.671 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -5.982 -4.776 5.381 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -4.309 -4.536 5.940 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -4.681 -5.827 4.772 1.00 0.00 H new ATOM 344 N VAL A 22 -7.584 -7.014 6.491 1.00 0.00 N ATOM 345 CA VAL A 22 -8.641 -8.003 6.113 1.00 0.00 C ATOM 346 C VAL A 22 -8.427 -8.504 4.676 1.00 0.00 C ATOM 347 O VAL A 22 -8.610 -9.670 4.381 1.00 0.00 O ATOM 348 CB VAL A 22 -9.968 -7.236 6.235 1.00 0.00 C ATOM 349 CG1 VAL A 22 -9.964 -6.030 5.288 1.00 0.00 C ATOM 350 CG2 VAL A 22 -11.133 -8.163 5.877 1.00 0.00 C ATOM 0 H VAL A 22 -7.936 -6.118 6.827 1.00 0.00 H new ATOM 0 HA VAL A 22 -8.623 -8.886 6.752 1.00 0.00 H new ATOM 0 HB VAL A 22 -10.084 -6.886 7.261 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -10.907 -5.492 5.380 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -9.140 -5.366 5.549 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -9.842 -6.374 4.261 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -12.072 -7.617 5.964 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -11.014 -8.519 4.854 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -11.143 -9.014 6.558 1.00 0.00 H new ATOM 360 N ASP A 23 -8.037 -7.625 3.791 1.00 0.00 N ATOM 361 CA ASP A 23 -7.800 -8.026 2.374 1.00 0.00 C ATOM 362 C ASP A 23 -6.910 -6.986 1.692 1.00 0.00 C ATOM 363 O ASP A 23 -6.534 -5.998 2.296 1.00 0.00 O ATOM 364 CB ASP A 23 -9.187 -8.055 1.728 1.00 0.00 C ATOM 365 CG ASP A 23 -9.816 -9.435 1.926 1.00 0.00 C ATOM 366 OD1 ASP A 23 -9.262 -10.396 1.419 1.00 0.00 O ATOM 367 OD2 ASP A 23 -10.844 -9.507 2.581 1.00 0.00 O ATOM 0 H ASP A 23 -7.871 -6.639 3.991 1.00 0.00 H new ATOM 0 HA ASP A 23 -7.299 -8.990 2.289 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -9.822 -7.288 2.171 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -9.109 -7.829 0.665 1.00 0.00 H new ATOM 372 N ALA A 24 -6.569 -7.195 0.444 1.00 0.00 N ATOM 373 CA ALA A 24 -5.702 -6.204 -0.261 1.00 0.00 C ATOM 374 C ALA A 24 -6.432 -4.864 -0.373 1.00 0.00 C ATOM 375 O ALA A 24 -5.821 -3.813 -0.388 1.00 0.00 O ATOM 376 CB ALA A 24 -5.448 -6.784 -1.653 1.00 0.00 C ATOM 0 H ALA A 24 -6.851 -8.002 -0.112 1.00 0.00 H new ATOM 0 HA ALA A 24 -4.769 -6.029 0.274 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -4.816 -6.102 -2.222 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -4.949 -7.748 -1.560 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -6.398 -6.916 -2.171 1.00 0.00 H new ATOM 382 N ALA A 25 -7.741 -4.900 -0.449 1.00 0.00 N ATOM 383 CA ALA A 25 -8.528 -3.636 -0.559 1.00 0.00 C ATOM 384 C ALA A 25 -8.229 -2.732 0.637 1.00 0.00 C ATOM 385 O ALA A 25 -7.889 -1.574 0.482 1.00 0.00 O ATOM 386 CB ALA A 25 -9.996 -4.070 -0.552 1.00 0.00 C ATOM 0 H ALA A 25 -8.298 -5.755 -0.439 1.00 0.00 H new ATOM 0 HA ALA A 25 -8.281 -3.073 -1.459 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -10.636 -3.191 -0.630 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -10.184 -4.732 -1.398 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -10.215 -4.597 0.377 1.00 0.00 H new ATOM 392 N GLU A 26 -8.338 -3.265 1.826 1.00 0.00 N ATOM 393 CA GLU A 26 -8.040 -2.451 3.041 1.00 0.00 C ATOM 394 C GLU A 26 -6.557 -2.091 3.050 1.00 0.00 C ATOM 395 O GLU A 26 -6.179 -0.990 3.402 1.00 0.00 O ATOM 396 CB GLU A 26 -8.389 -3.352 4.228 1.00 0.00 C ATOM 397 CG GLU A 26 -8.161 -2.588 5.535 1.00 0.00 C ATOM 398 CD GLU A 26 -9.482 -1.982 6.012 1.00 0.00 C ATOM 399 OE1 GLU A 26 -10.488 -2.666 5.930 1.00 0.00 O ATOM 400 OE2 GLU A 26 -9.464 -0.843 6.451 1.00 0.00 O ATOM 0 H GLU A 26 -8.620 -4.228 2.008 1.00 0.00 H new ATOM 0 HA GLU A 26 -8.604 -1.519 3.075 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -9.428 -3.675 4.160 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -7.774 -4.252 4.208 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -7.762 -3.259 6.295 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -7.422 -1.801 5.384 1.00 0.00 H new ATOM 407 N ALA A 27 -5.714 -3.010 2.644 1.00 0.00 N ATOM 408 CA ALA A 27 -4.247 -2.723 2.605 1.00 0.00 C ATOM 409 C ALA A 27 -3.986 -1.543 1.672 1.00 0.00 C ATOM 410 O ALA A 27 -3.235 -0.642 1.993 1.00 0.00 O ATOM 411 CB ALA A 27 -3.592 -3.990 2.053 1.00 0.00 C ATOM 0 H ALA A 27 -5.979 -3.946 2.338 1.00 0.00 H new ATOM 0 HA ALA A 27 -3.851 -2.466 3.587 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -2.513 -3.847 1.998 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -3.814 -4.830 2.711 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -3.982 -4.196 1.056 1.00 0.00 H new ATOM 417 N GLU A 28 -4.621 -1.536 0.525 1.00 0.00 N ATOM 418 CA GLU A 28 -4.433 -0.404 -0.433 1.00 0.00 C ATOM 419 C GLU A 28 -4.845 0.906 0.240 1.00 0.00 C ATOM 420 O GLU A 28 -4.235 1.932 0.032 1.00 0.00 O ATOM 421 CB GLU A 28 -5.345 -0.711 -1.624 1.00 0.00 C ATOM 422 CG GLU A 28 -4.905 0.123 -2.834 1.00 0.00 C ATOM 423 CD GLU A 28 -6.022 0.130 -3.879 1.00 0.00 C ATOM 424 OE1 GLU A 28 -6.913 0.955 -3.760 1.00 0.00 O ATOM 425 OE2 GLU A 28 -5.966 -0.688 -4.783 1.00 0.00 O ATOM 0 H GLU A 28 -5.261 -2.266 0.212 1.00 0.00 H new ATOM 0 HA GLU A 28 -3.396 -0.298 -0.750 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.300 -1.773 -1.865 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -6.381 -0.485 -1.370 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.676 1.142 -2.523 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -3.993 -0.292 -3.263 1.00 0.00 H new ATOM 432 N LYS A 29 -5.866 0.868 1.066 1.00 0.00 N ATOM 433 CA LYS A 29 -6.302 2.110 1.775 1.00 0.00 C ATOM 434 C LYS A 29 -5.270 2.463 2.847 1.00 0.00 C ATOM 435 O LYS A 29 -4.792 3.582 2.922 1.00 0.00 O ATOM 436 CB LYS A 29 -7.651 1.764 2.414 1.00 0.00 C ATOM 437 CG LYS A 29 -8.708 1.552 1.320 1.00 0.00 C ATOM 438 CD LYS A 29 -9.963 2.369 1.641 1.00 0.00 C ATOM 439 CE LYS A 29 -9.805 3.786 1.086 1.00 0.00 C ATOM 440 NZ LYS A 29 -10.260 3.699 -0.329 1.00 0.00 N ATOM 0 H LYS A 29 -6.412 0.033 1.277 1.00 0.00 H new ATOM 0 HA LYS A 29 -6.391 2.967 1.107 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -7.556 0.863 3.020 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -7.963 2.566 3.083 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -8.307 1.851 0.352 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -8.961 0.494 1.247 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -10.841 1.892 1.206 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -10.121 2.405 2.719 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -10.405 4.500 1.650 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -8.770 4.121 1.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -9.907 4.522 -0.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -9.892 2.827 -0.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -11.299 3.688 -0.359 1.00 0.00 H new ATOM 454 N ILE A 30 -4.902 1.502 3.661 1.00 0.00 N ATOM 455 CA ILE A 30 -3.874 1.759 4.720 1.00 0.00 C ATOM 456 C ILE A 30 -2.576 2.212 4.045 1.00 0.00 C ATOM 457 O ILE A 30 -1.834 3.017 4.575 1.00 0.00 O ATOM 458 CB ILE A 30 -3.677 0.412 5.434 1.00 0.00 C ATOM 459 CG1 ILE A 30 -4.992 -0.024 6.092 1.00 0.00 C ATOM 460 CG2 ILE A 30 -2.598 0.545 6.518 1.00 0.00 C ATOM 461 CD1 ILE A 30 -4.849 -1.454 6.629 1.00 0.00 C ATOM 0 H ILE A 30 -5.269 0.551 3.638 1.00 0.00 H new ATOM 0 HA ILE A 30 -4.173 2.535 5.425 1.00 0.00 H new ATOM 0 HB ILE A 30 -3.367 -0.331 4.699 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -5.247 0.657 6.904 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -5.806 0.024 5.369 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -2.465 -0.414 7.019 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -1.657 0.848 6.059 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -2.905 1.295 7.247 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -5.784 -1.762 7.096 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -4.614 -2.130 5.807 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -4.047 -1.487 7.366 1.00 0.00 H new ATOM 473 N PHE A 31 -2.316 1.705 2.867 1.00 0.00 N ATOM 474 CA PHE A 31 -1.087 2.104 2.127 1.00 0.00 C ATOM 475 C PHE A 31 -1.330 3.443 1.431 1.00 0.00 C ATOM 476 O PHE A 31 -0.458 4.289 1.372 1.00 0.00 O ATOM 477 CB PHE A 31 -0.857 0.990 1.104 1.00 0.00 C ATOM 478 CG PHE A 31 -0.013 -0.097 1.722 1.00 0.00 C ATOM 479 CD1 PHE A 31 1.211 0.222 2.324 1.00 0.00 C ATOM 480 CD2 PHE A 31 -0.451 -1.424 1.688 1.00 0.00 C ATOM 481 CE1 PHE A 31 1.996 -0.786 2.892 1.00 0.00 C ATOM 482 CE2 PHE A 31 0.334 -2.435 2.258 1.00 0.00 C ATOM 483 CZ PHE A 31 1.558 -2.114 2.859 1.00 0.00 C ATOM 0 H PHE A 31 -2.908 1.028 2.385 1.00 0.00 H new ATOM 0 HA PHE A 31 -0.222 2.229 2.778 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -1.812 0.581 0.776 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -0.362 1.391 0.220 1.00 0.00 H new ATOM 0 HD1 PHE A 31 1.549 1.248 2.349 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -1.394 -1.670 1.223 1.00 0.00 H new ATOM 0 HE1 PHE A 31 2.940 -0.539 3.356 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -0.004 -3.460 2.234 1.00 0.00 H new ATOM 0 HZ PHE A 31 2.164 -2.893 3.297 1.00 0.00 H new ATOM 493 N LYS A 32 -2.520 3.643 0.919 1.00 0.00 N ATOM 494 CA LYS A 32 -2.844 4.929 0.240 1.00 0.00 C ATOM 495 C LYS A 32 -3.090 6.048 1.263 1.00 0.00 C ATOM 496 O LYS A 32 -3.355 7.177 0.894 1.00 0.00 O ATOM 497 CB LYS A 32 -4.109 4.663 -0.573 1.00 0.00 C ATOM 498 CG LYS A 32 -3.735 3.932 -1.863 1.00 0.00 C ATOM 499 CD LYS A 32 -5.004 3.609 -2.656 1.00 0.00 C ATOM 500 CE LYS A 32 -5.572 4.895 -3.264 1.00 0.00 C ATOM 501 NZ LYS A 32 -5.133 4.875 -4.687 1.00 0.00 N ATOM 0 H LYS A 32 -3.282 2.965 0.944 1.00 0.00 H new ATOM 0 HA LYS A 32 -2.019 5.259 -0.391 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -4.810 4.064 0.008 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -4.610 5.603 -0.806 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -3.067 4.550 -2.463 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -3.196 3.014 -1.630 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -4.779 2.891 -3.444 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -5.744 3.145 -2.004 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -6.659 4.922 -3.187 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -5.194 5.777 -2.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -5.396 5.771 -5.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -4.101 4.754 -4.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -5.595 4.085 -5.182 1.00 0.00 H new ATOM 515 N GLN A 33 -2.956 5.766 2.540 1.00 0.00 N ATOM 516 CA GLN A 33 -3.128 6.833 3.571 1.00 0.00 C ATOM 517 C GLN A 33 -1.733 7.108 4.101 1.00 0.00 C ATOM 518 O GLN A 33 -1.286 8.227 4.219 1.00 0.00 O ATOM 519 CB GLN A 33 -4.027 6.231 4.653 1.00 0.00 C ATOM 520 CG GLN A 33 -5.457 6.089 4.118 1.00 0.00 C ATOM 521 CD GLN A 33 -6.324 7.234 4.649 1.00 0.00 C ATOM 522 OE1 GLN A 33 -7.344 7.002 5.268 1.00 0.00 O ATOM 523 NE2 GLN A 33 -5.960 8.469 4.432 1.00 0.00 N ATOM 0 H GLN A 33 -2.735 4.841 2.909 1.00 0.00 H new ATOM 0 HA GLN A 33 -3.574 7.758 3.205 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -3.644 5.257 4.957 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -4.021 6.866 5.539 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -5.450 6.101 3.028 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -5.876 5.131 4.424 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -5.104 8.665 3.913 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -6.531 9.238 4.782 1.00 0.00 H new ATOM 532 N TYR A 34 -1.029 6.039 4.342 1.00 0.00 N ATOM 533 CA TYR A 34 0.388 6.098 4.788 1.00 0.00 C ATOM 534 C TYR A 34 1.183 6.995 3.813 1.00 0.00 C ATOM 535 O TYR A 34 1.957 7.843 4.213 1.00 0.00 O ATOM 536 CB TYR A 34 0.784 4.618 4.676 1.00 0.00 C ATOM 537 CG TYR A 34 2.289 4.431 4.610 1.00 0.00 C ATOM 538 CD1 TYR A 34 2.971 4.626 3.403 1.00 0.00 C ATOM 539 CD2 TYR A 34 2.994 4.059 5.760 1.00 0.00 C ATOM 540 CE1 TYR A 34 4.359 4.447 3.348 1.00 0.00 C ATOM 541 CE2 TYR A 34 4.381 3.882 5.705 1.00 0.00 C ATOM 542 CZ TYR A 34 5.064 4.075 4.499 1.00 0.00 C ATOM 543 OH TYR A 34 6.431 3.897 4.444 1.00 0.00 O ATOM 0 H TYR A 34 -1.393 5.091 4.244 1.00 0.00 H new ATOM 0 HA TYR A 34 0.566 6.515 5.779 1.00 0.00 H new ATOM 0 HB2 TYR A 34 0.389 4.072 5.533 1.00 0.00 H new ATOM 0 HB3 TYR A 34 0.327 4.188 3.785 1.00 0.00 H new ATOM 0 HD1 TYR A 34 2.427 4.914 2.515 1.00 0.00 H new ATOM 0 HD2 TYR A 34 2.467 3.908 6.691 1.00 0.00 H new ATOM 0 HE1 TYR A 34 4.886 4.596 2.417 1.00 0.00 H new ATOM 0 HE2 TYR A 34 4.924 3.596 6.594 1.00 0.00 H new ATOM 0 HH TYR A 34 6.795 3.878 5.354 1.00 0.00 H new ATOM 553 N ALA A 35 0.953 6.816 2.535 1.00 0.00 N ATOM 554 CA ALA A 35 1.640 7.656 1.504 1.00 0.00 C ATOM 555 C ALA A 35 1.225 9.120 1.708 1.00 0.00 C ATOM 556 O ALA A 35 2.043 9.992 1.929 1.00 0.00 O ATOM 557 CB ALA A 35 1.111 7.151 0.149 1.00 0.00 C ATOM 0 H ALA A 35 0.313 6.117 2.159 1.00 0.00 H new ATOM 0 HA ALA A 35 2.726 7.591 1.563 1.00 0.00 H new ATOM 0 HB1 ALA A 35 1.572 7.722 -0.657 1.00 0.00 H new ATOM 0 HB2 ALA A 35 1.357 6.096 0.033 1.00 0.00 H new ATOM 0 HB3 ALA A 35 0.029 7.278 0.111 1.00 0.00 H new ATOM 563 N ASN A 36 -0.056 9.382 1.621 1.00 0.00 N ATOM 564 CA ASN A 36 -0.572 10.778 1.792 1.00 0.00 C ATOM 565 C ASN A 36 -0.143 11.356 3.140 1.00 0.00 C ATOM 566 O ASN A 36 0.274 12.494 3.232 1.00 0.00 O ATOM 567 CB ASN A 36 -2.092 10.645 1.748 1.00 0.00 C ATOM 568 CG ASN A 36 -2.579 10.696 0.297 1.00 0.00 C ATOM 569 OD1 ASN A 36 -3.463 11.462 -0.031 1.00 0.00 O ATOM 570 ND2 ASN A 36 -2.039 9.907 -0.594 1.00 0.00 N ATOM 0 H ASN A 36 -0.774 8.682 1.437 1.00 0.00 H new ATOM 0 HA ASN A 36 -0.186 11.446 1.022 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -2.397 9.706 2.210 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -2.553 11.448 2.324 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -2.360 9.935 -1.562 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -1.297 9.263 -0.322 1.00 0.00 H new ATOM 577 N ASP A 37 -0.253 10.576 4.187 1.00 0.00 N ATOM 578 CA ASP A 37 0.140 11.059 5.556 1.00 0.00 C ATOM 579 C ASP A 37 1.518 11.722 5.526 1.00 0.00 C ATOM 580 O ASP A 37 1.813 12.608 6.307 1.00 0.00 O ATOM 581 CB ASP A 37 0.165 9.805 6.433 1.00 0.00 C ATOM 582 CG ASP A 37 -1.247 9.510 6.943 1.00 0.00 C ATOM 583 OD1 ASP A 37 -1.844 10.399 7.526 1.00 0.00 O ATOM 584 OD2 ASP A 37 -1.707 8.398 6.741 1.00 0.00 O ATOM 0 H ASP A 37 -0.600 9.617 4.156 1.00 0.00 H new ATOM 0 HA ASP A 37 -0.555 11.808 5.934 1.00 0.00 H new ATOM 0 HB2 ASP A 37 0.541 8.956 5.862 1.00 0.00 H new ATOM 0 HB3 ASP A 37 0.844 9.950 7.273 1.00 0.00 H new ATOM 589 N ASN A 38 2.346 11.304 4.615 1.00 0.00 N ATOM 590 CA ASN A 38 3.698 11.899 4.492 1.00 0.00 C ATOM 591 C ASN A 38 3.727 12.877 3.315 1.00 0.00 C ATOM 592 O ASN A 38 4.272 13.961 3.401 1.00 0.00 O ATOM 593 CB ASN A 38 4.635 10.717 4.238 1.00 0.00 C ATOM 594 CG ASN A 38 6.072 11.124 4.571 1.00 0.00 C ATOM 595 OD1 ASN A 38 6.958 10.995 3.750 1.00 0.00 O ATOM 596 ND2 ASN A 38 6.342 11.615 5.750 1.00 0.00 N ATOM 0 H ASN A 38 2.139 10.566 3.942 1.00 0.00 H new ATOM 0 HA ASN A 38 3.991 12.457 5.381 1.00 0.00 H new ATOM 0 HB2 ASN A 38 4.336 9.865 4.849 1.00 0.00 H new ATOM 0 HB3 ASN A 38 4.567 10.402 3.197 1.00 0.00 H new ATOM 0 HD21 ASN A 38 7.297 11.890 5.981 1.00 0.00 H new ATOM 0 HD22 ASN A 38 5.598 11.724 6.440 1.00 0.00 H new ATOM 603 N GLY A 39 3.148 12.487 2.211 1.00 0.00 N ATOM 604 CA GLY A 39 3.129 13.358 1.000 1.00 0.00 C ATOM 605 C GLY A 39 3.594 12.512 -0.176 1.00 0.00 C ATOM 606 O GLY A 39 4.602 12.787 -0.798 1.00 0.00 O ATOM 0 H GLY A 39 2.680 11.588 2.096 1.00 0.00 H new ATOM 0 HA2 GLY A 39 2.126 13.745 0.821 1.00 0.00 H new ATOM 0 HA3 GLY A 39 3.783 14.219 1.136 1.00 0.00 H new ATOM 610 N ILE A 40 2.888 11.447 -0.441 1.00 0.00 N ATOM 611 CA ILE A 40 3.290 10.516 -1.525 1.00 0.00 C ATOM 612 C ILE A 40 2.164 10.420 -2.564 1.00 0.00 C ATOM 613 O ILE A 40 1.023 10.719 -2.272 1.00 0.00 O ATOM 614 CB ILE A 40 3.430 9.201 -0.777 1.00 0.00 C ATOM 615 CG1 ILE A 40 4.450 9.358 0.398 1.00 0.00 C ATOM 616 CG2 ILE A 40 3.793 8.065 -1.743 1.00 0.00 C ATOM 617 CD1 ILE A 40 5.719 8.542 0.186 1.00 0.00 C ATOM 0 H ILE A 40 2.038 11.182 0.057 1.00 0.00 H new ATOM 0 HA ILE A 40 4.190 10.813 -2.063 1.00 0.00 H new ATOM 0 HB ILE A 40 2.473 8.930 -0.332 1.00 0.00 H new ATOM 0 HG12 ILE A 40 4.713 10.410 0.507 1.00 0.00 H new ATOM 0 HG13 ILE A 40 3.976 9.049 1.330 1.00 0.00 H new ATOM 0 HG21 ILE A 40 3.889 7.132 -1.188 1.00 0.00 H new ATOM 0 HG22 ILE A 40 3.010 7.962 -2.494 1.00 0.00 H new ATOM 0 HG23 ILE A 40 4.739 8.293 -2.234 1.00 0.00 H new ATOM 0 HD11 ILE A 40 6.391 8.688 1.031 1.00 0.00 H new ATOM 0 HD12 ILE A 40 5.463 7.486 0.105 1.00 0.00 H new ATOM 0 HD13 ILE A 40 6.212 8.867 -0.730 1.00 0.00 H new ATOM 629 N ASP A 41 2.472 9.995 -3.764 1.00 0.00 N ATOM 630 CA ASP A 41 1.417 9.866 -4.822 1.00 0.00 C ATOM 631 C ASP A 41 2.026 9.275 -6.091 1.00 0.00 C ATOM 632 O ASP A 41 3.133 8.771 -6.079 1.00 0.00 O ATOM 633 CB ASP A 41 0.911 11.295 -5.091 1.00 0.00 C ATOM 634 CG ASP A 41 2.082 12.199 -5.492 1.00 0.00 C ATOM 635 OD1 ASP A 41 2.399 12.238 -6.669 1.00 0.00 O ATOM 636 OD2 ASP A 41 2.642 12.834 -4.613 1.00 0.00 O ATOM 0 H ASP A 41 3.412 9.730 -4.060 1.00 0.00 H new ATOM 0 HA ASP A 41 0.606 9.209 -4.507 1.00 0.00 H new ATOM 0 HB2 ASP A 41 0.163 11.282 -5.884 1.00 0.00 H new ATOM 0 HB3 ASP A 41 0.424 11.691 -4.200 1.00 0.00 H new ATOM 641 N GLY A 42 1.321 9.356 -7.188 1.00 0.00 N ATOM 642 CA GLY A 42 1.863 8.835 -8.472 1.00 0.00 C ATOM 643 C GLY A 42 1.074 7.627 -8.985 1.00 0.00 C ATOM 644 O GLY A 42 -0.126 7.677 -9.168 1.00 0.00 O ATOM 0 H GLY A 42 0.388 9.763 -7.248 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.841 9.626 -9.221 1.00 0.00 H new ATOM 0 HA3 GLY A 42 2.907 8.554 -8.336 1.00 0.00 H new ATOM 648 N GLU A 43 1.772 6.555 -9.257 1.00 0.00 N ATOM 649 CA GLU A 43 1.122 5.327 -9.810 1.00 0.00 C ATOM 650 C GLU A 43 0.800 4.309 -8.717 1.00 0.00 C ATOM 651 O GLU A 43 1.688 3.668 -8.189 1.00 0.00 O ATOM 652 CB GLU A 43 2.170 4.737 -10.757 1.00 0.00 C ATOM 653 CG GLU A 43 1.568 3.553 -11.515 1.00 0.00 C ATOM 654 CD GLU A 43 2.621 2.953 -12.448 1.00 0.00 C ATOM 655 OE1 GLU A 43 3.619 2.464 -11.944 1.00 0.00 O ATOM 656 OE2 GLU A 43 2.414 2.992 -13.649 1.00 0.00 O ATOM 0 H GLU A 43 2.779 6.477 -9.118 1.00 0.00 H new ATOM 0 HA GLU A 43 0.176 5.567 -10.296 1.00 0.00 H new ATOM 0 HB2 GLU A 43 2.509 5.498 -11.460 1.00 0.00 H new ATOM 0 HB3 GLU A 43 3.044 4.414 -10.192 1.00 0.00 H new ATOM 0 HG2 GLU A 43 1.218 2.798 -10.811 1.00 0.00 H new ATOM 0 HG3 GLU A 43 0.701 3.879 -12.090 1.00 0.00 H new ATOM 663 N TRP A 44 -0.461 4.129 -8.408 1.00 0.00 N ATOM 664 CA TRP A 44 -0.843 3.120 -7.376 1.00 0.00 C ATOM 665 C TRP A 44 -1.258 1.828 -8.058 1.00 0.00 C ATOM 666 O TRP A 44 -2.207 1.788 -8.818 1.00 0.00 O ATOM 667 CB TRP A 44 -2.017 3.725 -6.605 1.00 0.00 C ATOM 668 CG TRP A 44 -1.480 4.444 -5.423 1.00 0.00 C ATOM 669 CD1 TRP A 44 -1.229 5.771 -5.348 1.00 0.00 C ATOM 670 CD2 TRP A 44 -1.104 3.876 -4.148 1.00 0.00 C ATOM 671 NE1 TRP A 44 -0.716 6.050 -4.094 1.00 0.00 N ATOM 672 CE2 TRP A 44 -0.621 4.911 -3.318 1.00 0.00 C ATOM 673 CE3 TRP A 44 -1.141 2.568 -3.643 1.00 0.00 C ATOM 674 CZ2 TRP A 44 -0.180 4.655 -2.023 1.00 0.00 C ATOM 675 CZ3 TRP A 44 -0.698 2.306 -2.337 1.00 0.00 C ATOM 676 CH2 TRP A 44 -0.217 3.350 -1.529 1.00 0.00 C ATOM 0 H TRP A 44 -1.240 4.637 -8.826 1.00 0.00 H new ATOM 0 HA TRP A 44 -0.016 2.887 -6.706 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -2.577 4.409 -7.243 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -2.708 2.943 -6.291 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -1.400 6.491 -6.134 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -0.442 6.981 -3.781 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -1.511 1.762 -4.259 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 0.188 5.460 -1.405 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -0.727 1.298 -1.952 1.00 0.00 H new ATOM 0 HH2 TRP A 44 0.124 3.143 -0.525 1.00 0.00 H new ATOM 687 N THR A 45 -0.540 0.773 -7.795 1.00 0.00 N ATOM 688 CA THR A 45 -0.872 -0.535 -8.435 1.00 0.00 C ATOM 689 C THR A 45 -0.900 -1.623 -7.372 1.00 0.00 C ATOM 690 O THR A 45 -0.356 -1.457 -6.300 1.00 0.00 O ATOM 691 CB THR A 45 0.255 -0.818 -9.453 1.00 0.00 C ATOM 692 OG1 THR A 45 1.411 -1.276 -8.766 1.00 0.00 O ATOM 693 CG2 THR A 45 0.608 0.451 -10.239 1.00 0.00 C ATOM 0 H THR A 45 0.262 0.757 -7.165 1.00 0.00 H new ATOM 0 HA THR A 45 -1.846 -0.511 -8.924 1.00 0.00 H new ATOM 0 HB THR A 45 -0.093 -1.580 -10.151 1.00 0.00 H new ATOM 0 HG1 THR A 45 2.067 -1.607 -9.414 1.00 0.00 H new ATOM 0 HG21 THR A 45 1.404 0.229 -10.950 1.00 0.00 H new ATOM 0 HG22 THR A 45 -0.272 0.802 -10.777 1.00 0.00 H new ATOM 0 HG23 THR A 45 0.944 1.225 -9.549 1.00 0.00 H new ATOM 701 N TYR A 46 -1.511 -2.736 -7.669 1.00 0.00 N ATOM 702 CA TYR A 46 -1.555 -3.852 -6.685 1.00 0.00 C ATOM 703 C TYR A 46 -0.966 -5.113 -7.332 1.00 0.00 C ATOM 704 O TYR A 46 -1.254 -5.427 -8.473 1.00 0.00 O ATOM 705 CB TYR A 46 -3.041 -4.039 -6.335 1.00 0.00 C ATOM 706 CG TYR A 46 -3.218 -5.330 -5.561 1.00 0.00 C ATOM 707 CD1 TYR A 46 -2.498 -5.534 -4.382 1.00 0.00 C ATOM 708 CD2 TYR A 46 -4.075 -6.328 -6.041 1.00 0.00 C ATOM 709 CE1 TYR A 46 -2.635 -6.730 -3.674 1.00 0.00 C ATOM 710 CE2 TYR A 46 -4.211 -7.530 -5.334 1.00 0.00 C ATOM 711 CZ TYR A 46 -3.492 -7.730 -4.150 1.00 0.00 C ATOM 712 OH TYR A 46 -3.627 -8.915 -3.455 1.00 0.00 O ATOM 0 H TYR A 46 -1.983 -2.921 -8.554 1.00 0.00 H new ATOM 0 HA TYR A 46 -0.974 -3.649 -5.786 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -3.395 -3.196 -5.742 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -3.640 -4.063 -7.245 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -1.834 -4.765 -4.017 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -4.630 -6.172 -6.954 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -2.080 -6.884 -2.760 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -4.870 -8.302 -5.703 1.00 0.00 H new ATOM 0 HH TYR A 46 -4.261 -9.498 -3.923 1.00 0.00 H new ATOM 722 N ASP A 47 -0.162 -5.839 -6.604 1.00 0.00 N ATOM 723 CA ASP A 47 0.433 -7.087 -7.162 1.00 0.00 C ATOM 724 C ASP A 47 -0.230 -8.303 -6.512 1.00 0.00 C ATOM 725 O ASP A 47 0.101 -8.685 -5.405 1.00 0.00 O ATOM 726 CB ASP A 47 1.919 -7.021 -6.805 1.00 0.00 C ATOM 727 CG ASP A 47 2.684 -8.068 -7.616 1.00 0.00 C ATOM 728 OD1 ASP A 47 2.724 -9.209 -7.186 1.00 0.00 O ATOM 729 OD2 ASP A 47 3.217 -7.711 -8.654 1.00 0.00 O ATOM 0 H ASP A 47 0.109 -5.621 -5.645 1.00 0.00 H new ATOM 0 HA ASP A 47 0.288 -7.176 -8.239 1.00 0.00 H new ATOM 0 HB2 ASP A 47 2.311 -6.026 -7.014 1.00 0.00 H new ATOM 0 HB3 ASP A 47 2.056 -7.200 -5.739 1.00 0.00 H new ATOM 734 N ASP A 48 -1.166 -8.911 -7.199 1.00 0.00 N ATOM 735 CA ASP A 48 -1.869 -10.107 -6.633 1.00 0.00 C ATOM 736 C ASP A 48 -0.943 -11.337 -6.587 1.00 0.00 C ATOM 737 O ASP A 48 -1.324 -12.382 -6.092 1.00 0.00 O ATOM 738 CB ASP A 48 -3.053 -10.363 -7.574 1.00 0.00 C ATOM 739 CG ASP A 48 -2.546 -10.614 -8.998 1.00 0.00 C ATOM 740 OD1 ASP A 48 -2.022 -9.687 -9.591 1.00 0.00 O ATOM 741 OD2 ASP A 48 -2.691 -11.730 -9.469 1.00 0.00 O ATOM 0 H ASP A 48 -1.475 -8.631 -8.130 1.00 0.00 H new ATOM 0 HA ASP A 48 -2.188 -9.928 -5.606 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -3.625 -11.223 -7.226 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -3.727 -9.507 -7.565 1.00 0.00 H new ATOM 746 N ALA A 49 0.263 -11.224 -7.089 1.00 0.00 N ATOM 747 CA ALA A 49 1.205 -12.380 -7.066 1.00 0.00 C ATOM 748 C ALA A 49 2.076 -12.312 -5.810 1.00 0.00 C ATOM 749 O ALA A 49 2.548 -13.318 -5.319 1.00 0.00 O ATOM 750 CB ALA A 49 2.060 -12.220 -8.323 1.00 0.00 C ATOM 0 H ALA A 49 0.634 -10.375 -7.515 1.00 0.00 H new ATOM 0 HA ALA A 49 0.689 -13.340 -7.049 1.00 0.00 H new ATOM 0 HB1 ALA A 49 2.781 -13.035 -8.379 1.00 0.00 H new ATOM 0 HB2 ALA A 49 1.419 -12.242 -9.204 1.00 0.00 H new ATOM 0 HB3 ALA A 49 2.591 -11.269 -8.284 1.00 0.00 H new ATOM 756 N THR A 50 2.280 -11.129 -5.283 1.00 0.00 N ATOM 757 CA THR A 50 3.106 -10.986 -4.052 1.00 0.00 C ATOM 758 C THR A 50 2.355 -10.151 -3.006 1.00 0.00 C ATOM 759 O THR A 50 2.909 -9.782 -1.988 1.00 0.00 O ATOM 760 CB THR A 50 4.374 -10.261 -4.505 1.00 0.00 C ATOM 761 OG1 THR A 50 4.023 -9.007 -5.073 1.00 0.00 O ATOM 762 CG2 THR A 50 5.105 -11.109 -5.545 1.00 0.00 C ATOM 0 H THR A 50 1.907 -10.256 -5.656 1.00 0.00 H new ATOM 0 HA THR A 50 3.330 -11.948 -3.592 1.00 0.00 H new ATOM 0 HB THR A 50 5.028 -10.101 -3.648 1.00 0.00 H new ATOM 0 HG1 THR A 50 3.998 -9.086 -6.050 1.00 0.00 H new ATOM 0 HG21 THR A 50 6.008 -10.591 -5.867 1.00 0.00 H new ATOM 0 HG22 THR A 50 5.374 -12.070 -5.107 1.00 0.00 H new ATOM 0 HG23 THR A 50 4.454 -11.272 -6.404 1.00 0.00 H new ATOM 770 N LYS A 51 1.095 -9.842 -3.249 1.00 0.00 N ATOM 771 CA LYS A 51 0.306 -9.022 -2.271 1.00 0.00 C ATOM 772 C LYS A 51 1.042 -7.715 -1.963 1.00 0.00 C ATOM 773 O LYS A 51 1.110 -7.278 -0.831 1.00 0.00 O ATOM 774 CB LYS A 51 0.177 -9.889 -1.013 1.00 0.00 C ATOM 775 CG LYS A 51 -0.566 -11.183 -1.354 1.00 0.00 C ATOM 776 CD LYS A 51 -2.070 -10.974 -1.173 1.00 0.00 C ATOM 777 CE LYS A 51 -2.793 -12.317 -1.294 1.00 0.00 C ATOM 778 NZ LYS A 51 -3.905 -12.247 -0.306 1.00 0.00 N ATOM 0 H LYS A 51 0.582 -10.124 -4.084 1.00 0.00 H new ATOM 0 HA LYS A 51 -0.673 -8.748 -2.664 1.00 0.00 H new ATOM 0 HB2 LYS A 51 1.165 -10.119 -0.615 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -0.360 -9.344 -0.237 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -0.351 -11.478 -2.381 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -0.221 -11.993 -0.711 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -2.271 -10.528 -0.199 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -2.444 -10.279 -1.925 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -3.172 -12.472 -2.304 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -2.122 -13.148 -1.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -4.447 -13.134 -0.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -3.514 -12.106 0.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -4.531 -11.452 -0.544 1.00 0.00 H new ATOM 792 N THR A 52 1.599 -7.097 -2.973 1.00 0.00 N ATOM 793 CA THR A 52 2.342 -5.816 -2.761 1.00 0.00 C ATOM 794 C THR A 52 1.804 -4.726 -3.696 1.00 0.00 C ATOM 795 O THR A 52 1.543 -4.972 -4.858 1.00 0.00 O ATOM 796 CB THR A 52 3.797 -6.141 -3.105 1.00 0.00 C ATOM 797 OG1 THR A 52 4.152 -7.391 -2.530 1.00 0.00 O ATOM 798 CG2 THR A 52 4.710 -5.044 -2.556 1.00 0.00 C ATOM 0 H THR A 52 1.572 -7.425 -3.939 1.00 0.00 H new ATOM 0 HA THR A 52 2.234 -5.443 -1.743 1.00 0.00 H new ATOM 0 HB THR A 52 3.911 -6.196 -4.188 1.00 0.00 H new ATOM 0 HG1 THR A 52 4.164 -8.080 -3.227 1.00 0.00 H new ATOM 0 HG21 THR A 52 5.746 -5.276 -2.802 1.00 0.00 H new ATOM 0 HG22 THR A 52 4.437 -4.087 -3.001 1.00 0.00 H new ATOM 0 HG23 THR A 52 4.598 -4.985 -1.473 1.00 0.00 H new ATOM 806 N PHE A 53 1.640 -3.524 -3.197 1.00 0.00 N ATOM 807 CA PHE A 53 1.122 -2.415 -4.058 1.00 0.00 C ATOM 808 C PHE A 53 2.293 -1.578 -4.599 1.00 0.00 C ATOM 809 O PHE A 53 3.434 -1.995 -4.525 1.00 0.00 O ATOM 810 CB PHE A 53 0.232 -1.578 -3.136 1.00 0.00 C ATOM 811 CG PHE A 53 -1.051 -2.320 -2.836 1.00 0.00 C ATOM 812 CD1 PHE A 53 -1.070 -3.326 -1.858 1.00 0.00 C ATOM 813 CD2 PHE A 53 -2.227 -1.996 -3.525 1.00 0.00 C ATOM 814 CE1 PHE A 53 -2.263 -4.004 -1.570 1.00 0.00 C ATOM 815 CE2 PHE A 53 -3.417 -2.675 -3.236 1.00 0.00 C ATOM 816 CZ PHE A 53 -3.435 -3.677 -2.259 1.00 0.00 C ATOM 0 H PHE A 53 1.842 -3.264 -2.232 1.00 0.00 H new ATOM 0 HA PHE A 53 0.570 -2.782 -4.924 1.00 0.00 H new ATOM 0 HB2 PHE A 53 0.760 -1.360 -2.208 1.00 0.00 H new ATOM 0 HB3 PHE A 53 0.006 -0.621 -3.607 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -0.164 -3.578 -1.326 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -2.216 -1.223 -4.279 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -2.277 -4.778 -0.817 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -4.323 -2.425 -3.768 1.00 0.00 H new ATOM 0 HZ PHE A 53 -4.355 -4.198 -2.037 1.00 0.00 H new ATOM 826 N THR A 54 2.033 -0.400 -5.136 1.00 0.00 N ATOM 827 CA THR A 54 3.142 0.439 -5.663 1.00 0.00 C ATOM 828 C THR A 54 2.711 1.899 -5.633 1.00 0.00 C ATOM 829 O THR A 54 1.542 2.192 -5.512 1.00 0.00 O ATOM 830 CB THR A 54 3.356 -0.035 -7.101 1.00 0.00 C ATOM 831 OG1 THR A 54 3.352 -1.456 -7.135 1.00 0.00 O ATOM 832 CG2 THR A 54 4.699 0.487 -7.616 1.00 0.00 C ATOM 0 H THR A 54 1.101 0.005 -5.227 1.00 0.00 H new ATOM 0 HA THR A 54 4.058 0.352 -5.079 1.00 0.00 H new ATOM 0 HB THR A 54 2.554 0.345 -7.734 1.00 0.00 H new ATOM 0 HG1 THR A 54 2.623 -1.767 -7.711 1.00 0.00 H new ATOM 0 HG21 THR A 54 4.852 0.149 -8.641 1.00 0.00 H new ATOM 0 HG22 THR A 54 4.700 1.577 -7.589 1.00 0.00 H new ATOM 0 HG23 THR A 54 5.503 0.107 -6.985 1.00 0.00 H new ATOM 840 N VAL A 55 3.641 2.810 -5.727 1.00 0.00 N ATOM 841 CA VAL A 55 3.279 4.266 -5.691 1.00 0.00 C ATOM 842 C VAL A 55 4.462 5.102 -6.203 1.00 0.00 C ATOM 843 O VAL A 55 5.389 5.396 -5.473 1.00 0.00 O ATOM 844 CB VAL A 55 2.922 4.559 -4.212 1.00 0.00 C ATOM 845 CG1 VAL A 55 4.002 4.015 -3.273 1.00 0.00 C ATOM 846 CG2 VAL A 55 2.756 6.067 -3.976 1.00 0.00 C ATOM 0 H VAL A 55 4.637 2.614 -5.827 1.00 0.00 H new ATOM 0 HA VAL A 55 2.437 4.521 -6.335 1.00 0.00 H new ATOM 0 HB VAL A 55 1.977 4.059 -3.998 1.00 0.00 H new ATOM 0 HG11 VAL A 55 3.730 4.233 -2.240 1.00 0.00 H new ATOM 0 HG12 VAL A 55 4.090 2.937 -3.406 1.00 0.00 H new ATOM 0 HG13 VAL A 55 4.957 4.488 -3.504 1.00 0.00 H new ATOM 0 HG21 VAL A 55 2.506 6.246 -2.930 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.688 6.578 -4.219 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.957 6.449 -4.611 1.00 0.00 H new ATOM 856 N THR A 56 4.441 5.463 -7.472 1.00 0.00 N ATOM 857 CA THR A 56 5.577 6.258 -8.048 1.00 0.00 C ATOM 858 C THR A 56 5.149 7.700 -8.386 1.00 0.00 C ATOM 859 O THR A 56 4.667 7.999 -9.460 1.00 0.00 O ATOM 860 CB THR A 56 6.050 5.452 -9.281 1.00 0.00 C ATOM 861 OG1 THR A 56 7.365 5.850 -9.626 1.00 0.00 O ATOM 862 CG2 THR A 56 5.163 5.622 -10.506 1.00 0.00 C ATOM 0 H THR A 56 3.691 5.242 -8.127 1.00 0.00 H new ATOM 0 HA THR A 56 6.394 6.387 -7.338 1.00 0.00 H new ATOM 0 HB THR A 56 6.004 4.402 -8.992 1.00 0.00 H new ATOM 0 HG1 THR A 56 7.667 5.339 -10.406 1.00 0.00 H new ATOM 0 HG21 THR A 56 5.560 5.026 -11.328 1.00 0.00 H new ATOM 0 HG22 THR A 56 4.152 5.289 -10.272 1.00 0.00 H new ATOM 0 HG23 THR A 56 5.141 6.672 -10.797 1.00 0.00 H new ATOM 870 N GLU A 57 5.326 8.606 -7.450 1.00 0.00 N ATOM 871 CA GLU A 57 4.932 10.039 -7.684 1.00 0.00 C ATOM 872 C GLU A 57 5.546 10.567 -8.988 1.00 0.00 C ATOM 873 O GLU A 57 6.733 10.848 -8.991 1.00 0.00 O ATOM 874 CB GLU A 57 5.496 10.806 -6.479 1.00 0.00 C ATOM 875 CG GLU A 57 5.145 12.299 -6.592 1.00 0.00 C ATOM 876 CD GLU A 57 6.429 13.131 -6.669 1.00 0.00 C ATOM 877 OE1 GLU A 57 7.368 12.801 -5.963 1.00 0.00 O ATOM 878 OE2 GLU A 57 6.450 14.083 -7.431 1.00 0.00 O ATOM 879 OXT GLU A 57 4.815 10.683 -9.959 1.00 0.00 O ATOM 0 H GLU A 57 5.727 8.416 -6.532 1.00 0.00 H new ATOM 0 HA GLU A 57 3.852 10.153 -7.779 1.00 0.00 H new ATOM 0 HB2 GLU A 57 5.088 10.397 -5.555 1.00 0.00 H new ATOM 0 HB3 GLU A 57 6.578 10.681 -6.432 1.00 0.00 H new ATOM 0 HG2 GLU A 57 4.535 12.472 -7.479 1.00 0.00 H new ATOM 0 HG3 GLU A 57 4.552 12.608 -5.732 1.00 0.00 H new