USER MOD reduce.3.24.130724 H: found=0, std=0, add=425, rem=0, adj=13 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 180:sc= 0 USER MOD Set 1.2: A 52 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 45 THR OG1 : rot 180:sc= -0.602 USER MOD Set 2.2: A 54 THR OG1 : rot 112:sc= 0.456 USER MOD Set 3.1: A 9 ASN : amide:sc= -0.895 K(o=-2.5,f=-1.1) USER MOD Set 3.2: A 56 THR OG1 : rot -10:sc= -1.59 USER MOD Single : A 2 THR OG1 : rot 37:sc= 0.207 USER MOD Single : A 3 THR OG1 : rot 180:sc= -1.3 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0.0736 USER MOD Single : A 14 LYS NZ :NH3+ 167:sc= 1.28 (180deg=1.11) USER MOD Single : A 18 THR OG1 : rot -14:sc= 1.65 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ -143:sc= 1.29 (180deg=-0.661) USER MOD Single : A 33 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 34 TYR OH : rot 180:sc= -0.181 USER MOD Single : A 36 ASN : amide:sc= 0.143 X(o=0.14,f=-0.045) USER MOD Single : A 38 ASN : amide:sc= -1.83! K(o=-1.8!,f=-0.94) USER MOD Single : A 46 TYR OH : rot 180:sc= -0.4 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 20 N THR A 2 -1.498 -12.675 5.757 1.00 0.00 N ATOM 21 CA THR A 2 -1.620 -11.732 4.604 1.00 0.00 C ATOM 22 C THR A 2 -0.441 -10.749 4.593 1.00 0.00 C ATOM 23 O THR A 2 0.445 -10.844 3.766 1.00 0.00 O ATOM 24 CB THR A 2 -2.948 -11.002 4.829 1.00 0.00 C ATOM 25 OG1 THR A 2 -4.005 -11.952 4.861 1.00 0.00 O ATOM 26 CG2 THR A 2 -3.188 -10.011 3.689 1.00 0.00 C ATOM 0 HA THR A 2 -1.602 -12.245 3.642 1.00 0.00 H new ATOM 0 HB THR A 2 -2.911 -10.462 5.775 1.00 0.00 H new ATOM 0 HG1 THR A 2 -3.699 -12.767 5.311 1.00 0.00 H new ATOM 0 HG21 THR A 2 -4.133 -9.493 3.851 1.00 0.00 H new ATOM 0 HG22 THR A 2 -2.376 -9.285 3.661 1.00 0.00 H new ATOM 0 HG23 THR A 2 -3.226 -10.549 2.742 1.00 0.00 H new ATOM 34 N THR A 3 -0.424 -9.804 5.505 1.00 0.00 N ATOM 35 CA THR A 3 0.694 -8.804 5.559 1.00 0.00 C ATOM 36 C THR A 3 0.942 -8.178 4.179 1.00 0.00 C ATOM 37 O THR A 3 1.932 -8.461 3.528 1.00 0.00 O ATOM 38 CB THR A 3 1.923 -9.595 6.020 1.00 0.00 C ATOM 39 OG1 THR A 3 1.646 -10.205 7.273 1.00 0.00 O ATOM 40 CG2 THR A 3 3.126 -8.653 6.165 1.00 0.00 C ATOM 0 H THR A 3 -1.142 -9.681 6.219 1.00 0.00 H new ATOM 0 HA THR A 3 0.461 -7.980 6.233 1.00 0.00 H new ATOM 0 HB THR A 3 2.156 -10.361 5.281 1.00 0.00 H new ATOM 0 HG1 THR A 3 2.430 -10.713 7.570 1.00 0.00 H new ATOM 0 HG21 THR A 3 3.996 -9.222 6.493 1.00 0.00 H new ATOM 0 HG22 THR A 3 3.340 -8.185 5.204 1.00 0.00 H new ATOM 0 HG23 THR A 3 2.898 -7.882 6.901 1.00 0.00 H new ATOM 48 N PHE A 4 0.051 -7.330 3.735 1.00 0.00 N ATOM 49 CA PHE A 4 0.231 -6.679 2.402 1.00 0.00 C ATOM 50 C PHE A 4 1.422 -5.721 2.444 1.00 0.00 C ATOM 51 O PHE A 4 1.625 -5.015 3.414 1.00 0.00 O ATOM 52 CB PHE A 4 -1.068 -5.915 2.149 1.00 0.00 C ATOM 53 CG PHE A 4 -2.057 -6.830 1.471 1.00 0.00 C ATOM 54 CD1 PHE A 4 -1.859 -7.203 0.137 1.00 0.00 C ATOM 55 CD2 PHE A 4 -3.165 -7.312 2.175 1.00 0.00 C ATOM 56 CE1 PHE A 4 -2.769 -8.058 -0.492 1.00 0.00 C ATOM 57 CE2 PHE A 4 -4.075 -8.168 1.545 1.00 0.00 C ATOM 58 CZ PHE A 4 -3.877 -8.543 0.213 1.00 0.00 C ATOM 0 H PHE A 4 -0.794 -7.060 4.238 1.00 0.00 H new ATOM 0 HA PHE A 4 0.432 -7.403 1.612 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -1.478 -5.550 3.090 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -0.875 -5.042 1.525 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -1.003 -6.831 -0.407 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -3.318 -7.024 3.204 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -2.617 -8.344 -1.522 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -4.931 -8.539 2.088 1.00 0.00 H new ATOM 0 HZ PHE A 4 -4.578 -9.206 -0.272 1.00 0.00 H new ATOM 68 N LYS A 5 2.212 -5.694 1.400 1.00 0.00 N ATOM 69 CA LYS A 5 3.396 -4.785 1.376 1.00 0.00 C ATOM 70 C LYS A 5 3.153 -3.616 0.421 1.00 0.00 C ATOM 71 O LYS A 5 2.102 -3.499 -0.181 1.00 0.00 O ATOM 72 CB LYS A 5 4.554 -5.652 0.880 1.00 0.00 C ATOM 73 CG LYS A 5 4.823 -6.779 1.883 1.00 0.00 C ATOM 74 CD LYS A 5 4.154 -8.067 1.402 1.00 0.00 C ATOM 75 CE LYS A 5 4.465 -9.201 2.381 1.00 0.00 C ATOM 76 NZ LYS A 5 5.714 -9.825 1.863 1.00 0.00 N ATOM 0 H LYS A 5 2.087 -6.263 0.563 1.00 0.00 H new ATOM 0 HA LYS A 5 3.601 -4.353 2.356 1.00 0.00 H new ATOM 0 HB2 LYS A 5 4.314 -6.071 -0.097 1.00 0.00 H new ATOM 0 HB3 LYS A 5 5.449 -5.043 0.754 1.00 0.00 H new ATOM 0 HG2 LYS A 5 5.896 -6.934 1.991 1.00 0.00 H new ATOM 0 HG3 LYS A 5 4.440 -6.504 2.866 1.00 0.00 H new ATOM 0 HD2 LYS A 5 3.076 -7.923 1.326 1.00 0.00 H new ATOM 0 HD3 LYS A 5 4.512 -8.325 0.405 1.00 0.00 H new ATOM 0 HE2 LYS A 5 4.604 -8.822 3.393 1.00 0.00 H new ATOM 0 HE3 LYS A 5 3.650 -9.923 2.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 5.991 -10.613 2.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 5.550 -10.183 0.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 6.474 -9.116 1.843 1.00 0.00 H new ATOM 90 N LEU A 6 4.123 -2.750 0.284 1.00 0.00 N ATOM 91 CA LEU A 6 3.971 -1.577 -0.625 1.00 0.00 C ATOM 92 C LEU A 6 5.352 -1.032 -0.998 1.00 0.00 C ATOM 93 O LEU A 6 6.030 -0.436 -0.184 1.00 0.00 O ATOM 94 CB LEU A 6 3.179 -0.547 0.192 1.00 0.00 C ATOM 95 CG LEU A 6 3.002 0.751 -0.608 1.00 0.00 C ATOM 96 CD1 LEU A 6 1.837 0.603 -1.585 1.00 0.00 C ATOM 97 CD2 LEU A 6 2.708 1.905 0.354 1.00 0.00 C ATOM 0 H LEU A 6 5.020 -2.806 0.767 1.00 0.00 H new ATOM 0 HA LEU A 6 3.464 -1.827 -1.557 1.00 0.00 H new ATOM 0 HB2 LEU A 6 2.203 -0.955 0.455 1.00 0.00 H new ATOM 0 HB3 LEU A 6 3.699 -0.337 1.127 1.00 0.00 H new ATOM 0 HG LEU A 6 3.917 0.957 -1.164 1.00 0.00 H new ATOM 0 HD11 LEU A 6 1.716 1.527 -2.150 1.00 0.00 H new ATOM 0 HD12 LEU A 6 2.041 -0.218 -2.272 1.00 0.00 H new ATOM 0 HD13 LEU A 6 0.922 0.394 -1.031 1.00 0.00 H new ATOM 0 HD21 LEU A 6 2.582 2.828 -0.212 1.00 0.00 H new ATOM 0 HD22 LEU A 6 1.794 1.692 0.909 1.00 0.00 H new ATOM 0 HD23 LEU A 6 3.538 2.018 1.051 1.00 0.00 H new ATOM 109 N ILE A 7 5.760 -1.213 -2.230 1.00 0.00 N ATOM 110 CA ILE A 7 7.084 -0.683 -2.661 1.00 0.00 C ATOM 111 C ILE A 7 6.899 0.771 -3.072 1.00 0.00 C ATOM 112 O ILE A 7 6.061 1.078 -3.901 1.00 0.00 O ATOM 113 CB ILE A 7 7.504 -1.534 -3.861 1.00 0.00 C ATOM 114 CG1 ILE A 7 7.599 -3.003 -3.440 1.00 0.00 C ATOM 115 CG2 ILE A 7 8.870 -1.063 -4.363 1.00 0.00 C ATOM 116 CD1 ILE A 7 7.857 -3.872 -4.674 1.00 0.00 C ATOM 0 H ILE A 7 5.233 -1.704 -2.952 1.00 0.00 H new ATOM 0 HA ILE A 7 7.839 -0.727 -1.876 1.00 0.00 H new ATOM 0 HB ILE A 7 6.765 -1.430 -4.655 1.00 0.00 H new ATOM 0 HG12 ILE A 7 8.403 -3.134 -2.716 1.00 0.00 H new ATOM 0 HG13 ILE A 7 6.676 -3.313 -2.951 1.00 0.00 H new ATOM 0 HG21 ILE A 7 9.172 -1.668 -5.218 1.00 0.00 H new ATOM 0 HG22 ILE A 7 8.807 -0.017 -4.663 1.00 0.00 H new ATOM 0 HG23 ILE A 7 9.606 -1.168 -3.566 1.00 0.00 H new ATOM 0 HD11 ILE A 7 7.925 -4.918 -4.375 1.00 0.00 H new ATOM 0 HD12 ILE A 7 7.038 -3.750 -5.383 1.00 0.00 H new ATOM 0 HD13 ILE A 7 8.792 -3.568 -5.144 1.00 0.00 H new ATOM 128 N ILE A 8 7.647 1.670 -2.492 1.00 0.00 N ATOM 129 CA ILE A 8 7.468 3.104 -2.857 1.00 0.00 C ATOM 130 C ILE A 8 8.531 3.524 -3.876 1.00 0.00 C ATOM 131 O ILE A 8 9.711 3.542 -3.580 1.00 0.00 O ATOM 132 CB ILE A 8 7.614 3.962 -1.584 1.00 0.00 C ATOM 133 CG1 ILE A 8 7.052 3.253 -0.315 1.00 0.00 C ATOM 134 CG2 ILE A 8 6.873 5.288 -1.823 1.00 0.00 C ATOM 135 CD1 ILE A 8 5.524 3.365 -0.221 1.00 0.00 C ATOM 0 H ILE A 8 8.364 1.478 -1.792 1.00 0.00 H new ATOM 0 HA ILE A 8 6.481 3.247 -3.297 1.00 0.00 H new ATOM 0 HB ILE A 8 8.674 4.131 -1.395 1.00 0.00 H new ATOM 0 HG12 ILE A 8 7.338 2.201 -0.331 1.00 0.00 H new ATOM 0 HG13 ILE A 8 7.503 3.692 0.575 1.00 0.00 H new ATOM 0 HG21 ILE A 8 6.959 5.918 -0.937 1.00 0.00 H new ATOM 0 HG22 ILE A 8 7.313 5.802 -2.678 1.00 0.00 H new ATOM 0 HG23 ILE A 8 5.821 5.086 -2.024 1.00 0.00 H new ATOM 0 HD11 ILE A 8 5.177 2.857 0.679 1.00 0.00 H new ATOM 0 HD12 ILE A 8 5.238 4.416 -0.177 1.00 0.00 H new ATOM 0 HD13 ILE A 8 5.071 2.902 -1.097 1.00 0.00 H new ATOM 147 N ASN A 9 8.120 3.870 -5.068 1.00 0.00 N ATOM 148 CA ASN A 9 9.101 4.300 -6.111 1.00 0.00 C ATOM 149 C ASN A 9 9.249 5.828 -6.078 1.00 0.00 C ATOM 150 O ASN A 9 8.341 6.538 -5.690 1.00 0.00 O ATOM 151 CB ASN A 9 8.488 3.830 -7.437 1.00 0.00 C ATOM 152 CG ASN A 9 9.321 4.332 -8.623 1.00 0.00 C ATOM 153 OD1 ASN A 9 10.508 4.083 -8.697 1.00 0.00 O ATOM 154 ND2 ASN A 9 8.741 5.035 -9.561 1.00 0.00 N ATOM 0 H ASN A 9 7.144 3.874 -5.366 1.00 0.00 H new ATOM 0 HA ASN A 9 10.097 3.883 -5.961 1.00 0.00 H new ATOM 0 HB2 ASN A 9 8.438 2.741 -7.455 1.00 0.00 H new ATOM 0 HB3 ASN A 9 7.465 4.198 -7.522 1.00 0.00 H new ATOM 0 HD21 ASN A 9 9.285 5.374 -10.354 1.00 0.00 H new ATOM 0 HD22 ASN A 9 7.745 5.244 -9.499 1.00 0.00 H new ATOM 161 N GLY A 10 10.387 6.334 -6.481 1.00 0.00 N ATOM 162 CA GLY A 10 10.596 7.813 -6.474 1.00 0.00 C ATOM 163 C GLY A 10 11.697 8.173 -5.475 1.00 0.00 C ATOM 164 O GLY A 10 12.589 7.390 -5.213 1.00 0.00 O ATOM 0 H GLY A 10 11.180 5.786 -6.815 1.00 0.00 H new ATOM 0 HA2 GLY A 10 10.870 8.156 -7.472 1.00 0.00 H new ATOM 0 HA3 GLY A 10 9.669 8.320 -6.206 1.00 0.00 H new ATOM 168 N LYS A 11 11.641 9.360 -4.920 1.00 0.00 N ATOM 169 CA LYS A 11 12.686 9.785 -3.938 1.00 0.00 C ATOM 170 C LYS A 11 12.069 10.032 -2.555 1.00 0.00 C ATOM 171 O LYS A 11 12.745 9.951 -1.547 1.00 0.00 O ATOM 172 CB LYS A 11 13.269 11.083 -4.511 1.00 0.00 C ATOM 173 CG LYS A 11 12.160 12.127 -4.682 1.00 0.00 C ATOM 174 CD LYS A 11 12.785 13.515 -4.852 1.00 0.00 C ATOM 175 CE LYS A 11 11.682 14.583 -4.860 1.00 0.00 C ATOM 176 NZ LYS A 11 11.734 15.188 -6.220 1.00 0.00 N ATOM 0 H LYS A 11 10.916 10.053 -5.105 1.00 0.00 H new ATOM 0 HA LYS A 11 13.449 9.019 -3.802 1.00 0.00 H new ATOM 0 HB2 LYS A 11 14.042 11.468 -3.846 1.00 0.00 H new ATOM 0 HB3 LYS A 11 13.744 10.885 -5.472 1.00 0.00 H new ATOM 0 HG2 LYS A 11 11.548 11.884 -5.550 1.00 0.00 H new ATOM 0 HG3 LYS A 11 11.500 12.118 -3.814 1.00 0.00 H new ATOM 0 HD2 LYS A 11 13.487 13.710 -4.041 1.00 0.00 H new ATOM 0 HD3 LYS A 11 13.352 13.557 -5.782 1.00 0.00 H new ATOM 0 HE2 LYS A 11 10.705 14.142 -4.662 1.00 0.00 H new ATOM 0 HE3 LYS A 11 11.855 15.333 -4.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 11.007 15.927 -6.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 12.673 15.607 -6.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 11.559 14.453 -6.934 1.00 0.00 H new ATOM 190 N THR A 12 10.794 10.334 -2.499 1.00 0.00 N ATOM 191 CA THR A 12 10.135 10.589 -1.176 1.00 0.00 C ATOM 192 C THR A 12 10.267 9.363 -0.270 1.00 0.00 C ATOM 193 O THR A 12 10.847 9.429 0.797 1.00 0.00 O ATOM 194 CB THR A 12 8.663 10.857 -1.501 1.00 0.00 C ATOM 195 OG1 THR A 12 8.579 11.694 -2.645 1.00 0.00 O ATOM 196 CG2 THR A 12 7.995 11.545 -0.310 1.00 0.00 C ATOM 0 H THR A 12 10.181 10.415 -3.310 1.00 0.00 H new ATOM 0 HA THR A 12 10.593 11.426 -0.648 1.00 0.00 H new ATOM 0 HB THR A 12 8.155 9.914 -1.703 1.00 0.00 H new ATOM 0 HG1 THR A 12 7.638 11.866 -2.856 1.00 0.00 H new ATOM 0 HG21 THR A 12 6.947 11.736 -0.541 1.00 0.00 H new ATOM 0 HG22 THR A 12 8.062 10.901 0.567 1.00 0.00 H new ATOM 0 HG23 THR A 12 8.499 12.489 -0.106 1.00 0.00 H new ATOM 204 N LEU A 13 9.733 8.246 -0.693 1.00 0.00 N ATOM 205 CA LEU A 13 9.823 7.008 0.136 1.00 0.00 C ATOM 206 C LEU A 13 10.553 5.907 -0.639 1.00 0.00 C ATOM 207 O LEU A 13 10.875 6.062 -1.801 1.00 0.00 O ATOM 208 CB LEU A 13 8.371 6.599 0.399 1.00 0.00 C ATOM 209 CG LEU A 13 7.970 6.947 1.834 1.00 0.00 C ATOM 210 CD1 LEU A 13 6.501 6.570 2.050 1.00 0.00 C ATOM 211 CD2 LEU A 13 8.846 6.168 2.820 1.00 0.00 C ATOM 0 H LEU A 13 9.238 8.138 -1.578 1.00 0.00 H new ATOM 0 HA LEU A 13 10.376 7.171 1.061 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.710 7.107 -0.303 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.252 5.529 0.231 1.00 0.00 H new ATOM 0 HG LEU A 13 8.106 8.016 2.001 1.00 0.00 H new ATOM 0 HD11 LEU A 13 6.209 6.815 3.071 1.00 0.00 H new ATOM 0 HD12 LEU A 13 5.876 7.125 1.350 1.00 0.00 H new ATOM 0 HD13 LEU A 13 6.371 5.501 1.883 1.00 0.00 H new ATOM 0 HD21 LEU A 13 8.557 6.419 3.841 1.00 0.00 H new ATOM 0 HD22 LEU A 13 8.713 5.098 2.658 1.00 0.00 H new ATOM 0 HD23 LEU A 13 9.892 6.432 2.664 1.00 0.00 H new ATOM 223 N LYS A 14 10.807 4.793 0.001 1.00 0.00 N ATOM 224 CA LYS A 14 11.505 3.662 -0.677 1.00 0.00 C ATOM 225 C LYS A 14 11.568 2.454 0.261 1.00 0.00 C ATOM 226 O LYS A 14 12.601 2.154 0.831 1.00 0.00 O ATOM 227 CB LYS A 14 12.919 4.168 -1.006 1.00 0.00 C ATOM 228 CG LYS A 14 13.629 4.625 0.276 1.00 0.00 C ATOM 229 CD LYS A 14 14.419 5.906 -0.002 1.00 0.00 C ATOM 230 CE LYS A 14 13.448 7.073 -0.190 1.00 0.00 C ATOM 231 NZ LYS A 14 14.310 8.285 -0.255 1.00 0.00 N ATOM 0 H LYS A 14 10.557 4.619 0.974 1.00 0.00 H new ATOM 0 HA LYS A 14 10.983 3.346 -1.580 1.00 0.00 H new ATOM 0 HB2 LYS A 14 13.494 3.376 -1.487 1.00 0.00 H new ATOM 0 HB3 LYS A 14 12.862 4.995 -1.714 1.00 0.00 H new ATOM 0 HG2 LYS A 14 12.898 4.801 1.065 1.00 0.00 H new ATOM 0 HG3 LYS A 14 14.299 3.842 0.631 1.00 0.00 H new ATOM 0 HD2 LYS A 14 15.098 6.114 0.825 1.00 0.00 H new ATOM 0 HD3 LYS A 14 15.032 5.782 -0.895 1.00 0.00 H new ATOM 0 HE2 LYS A 14 12.862 6.956 -1.102 1.00 0.00 H new ATOM 0 HE3 LYS A 14 12.741 7.135 0.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 13.750 9.091 -0.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 14.679 8.500 0.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 15.104 8.112 -0.904 1.00 0.00 H new ATOM 245 N GLY A 15 10.468 1.762 0.429 1.00 0.00 N ATOM 246 CA GLY A 15 10.461 0.575 1.335 1.00 0.00 C ATOM 247 C GLY A 15 9.239 -0.296 1.043 1.00 0.00 C ATOM 248 O GLY A 15 8.477 -0.027 0.135 1.00 0.00 O ATOM 0 H GLY A 15 9.577 1.968 -0.022 1.00 0.00 H new ATOM 0 HA2 GLY A 15 11.373 -0.005 1.196 1.00 0.00 H new ATOM 0 HA3 GLY A 15 10.446 0.901 2.375 1.00 0.00 H new ATOM 252 N GLU A 16 9.055 -1.340 1.811 1.00 0.00 N ATOM 253 CA GLU A 16 7.888 -2.246 1.593 1.00 0.00 C ATOM 254 C GLU A 16 6.860 -2.073 2.718 1.00 0.00 C ATOM 255 O GLU A 16 5.682 -2.280 2.518 1.00 0.00 O ATOM 256 CB GLU A 16 8.477 -3.656 1.613 1.00 0.00 C ATOM 257 CG GLU A 16 9.426 -3.828 0.426 1.00 0.00 C ATOM 258 CD GLU A 16 10.302 -5.063 0.646 1.00 0.00 C ATOM 259 OE1 GLU A 16 9.751 -6.116 0.916 1.00 0.00 O ATOM 260 OE2 GLU A 16 11.511 -4.934 0.539 1.00 0.00 O ATOM 0 H GLU A 16 9.666 -1.604 2.583 1.00 0.00 H new ATOM 0 HA GLU A 16 7.368 -2.033 0.659 1.00 0.00 H new ATOM 0 HB2 GLU A 16 9.012 -3.825 2.548 1.00 0.00 H new ATOM 0 HB3 GLU A 16 7.678 -4.396 1.564 1.00 0.00 H new ATOM 0 HG2 GLU A 16 8.855 -3.934 -0.497 1.00 0.00 H new ATOM 0 HG3 GLU A 16 10.050 -2.942 0.315 1.00 0.00 H new ATOM 267 N ILE A 17 7.309 -1.689 3.896 1.00 0.00 N ATOM 268 CA ILE A 17 6.390 -1.483 5.076 1.00 0.00 C ATOM 269 C ILE A 17 5.752 -2.805 5.533 1.00 0.00 C ATOM 270 O ILE A 17 5.934 -3.219 6.657 1.00 0.00 O ATOM 271 CB ILE A 17 5.309 -0.476 4.640 1.00 0.00 C ATOM 272 CG1 ILE A 17 5.969 0.797 4.073 1.00 0.00 C ATOM 273 CG2 ILE A 17 4.452 -0.105 5.854 1.00 0.00 C ATOM 274 CD1 ILE A 17 5.315 1.168 2.741 1.00 0.00 C ATOM 0 H ILE A 17 8.292 -1.506 4.095 1.00 0.00 H new ATOM 0 HA ILE A 17 6.954 -1.103 5.928 1.00 0.00 H new ATOM 0 HB ILE A 17 4.687 -0.928 3.868 1.00 0.00 H new ATOM 0 HG12 ILE A 17 5.865 1.619 4.782 1.00 0.00 H new ATOM 0 HG13 ILE A 17 7.037 0.632 3.931 1.00 0.00 H new ATOM 0 HG21 ILE A 17 3.684 0.608 5.553 1.00 0.00 H new ATOM 0 HG22 ILE A 17 3.978 -1.002 6.253 1.00 0.00 H new ATOM 0 HG23 ILE A 17 5.083 0.344 6.621 1.00 0.00 H new ATOM 0 HD11 ILE A 17 5.784 2.068 2.344 1.00 0.00 H new ATOM 0 HD12 ILE A 17 5.442 0.349 2.033 1.00 0.00 H new ATOM 0 HD13 ILE A 17 4.252 1.351 2.896 1.00 0.00 H new ATOM 286 N THR A 18 5.004 -3.458 4.675 1.00 0.00 N ATOM 287 CA THR A 18 4.337 -4.759 5.043 1.00 0.00 C ATOM 288 C THR A 18 3.358 -4.552 6.203 1.00 0.00 C ATOM 289 O THR A 18 3.735 -4.160 7.290 1.00 0.00 O ATOM 290 CB THR A 18 5.443 -5.776 5.431 1.00 0.00 C ATOM 291 OG1 THR A 18 5.793 -5.625 6.800 1.00 0.00 O ATOM 292 CG2 THR A 18 6.694 -5.599 4.556 1.00 0.00 C ATOM 0 H THR A 18 4.822 -3.144 3.722 1.00 0.00 H new ATOM 0 HA THR A 18 3.765 -5.139 4.197 1.00 0.00 H new ATOM 0 HB THR A 18 5.046 -6.778 5.267 1.00 0.00 H new ATOM 0 HG1 THR A 18 5.434 -4.778 7.138 1.00 0.00 H new ATOM 0 HG21 THR A 18 7.451 -6.326 4.852 1.00 0.00 H new ATOM 0 HG22 THR A 18 6.431 -5.755 3.510 1.00 0.00 H new ATOM 0 HG23 THR A 18 7.089 -4.591 4.685 1.00 0.00 H new ATOM 300 N ILE A 19 2.097 -4.820 5.970 1.00 0.00 N ATOM 301 CA ILE A 19 1.071 -4.649 7.045 1.00 0.00 C ATOM 302 C ILE A 19 -0.063 -5.665 6.864 1.00 0.00 C ATOM 303 O ILE A 19 -0.567 -5.853 5.773 1.00 0.00 O ATOM 304 CB ILE A 19 0.542 -3.218 6.884 1.00 0.00 C ATOM 305 CG1 ILE A 19 -0.049 -3.027 5.478 1.00 0.00 C ATOM 306 CG2 ILE A 19 1.688 -2.227 7.093 1.00 0.00 C ATOM 307 CD1 ILE A 19 -1.574 -3.153 5.536 1.00 0.00 C ATOM 0 H ILE A 19 1.732 -5.152 5.077 1.00 0.00 H new ATOM 0 HA ILE A 19 1.491 -4.813 8.037 1.00 0.00 H new ATOM 0 HB ILE A 19 -0.238 -3.041 7.624 1.00 0.00 H new ATOM 0 HG12 ILE A 19 0.230 -2.049 5.086 1.00 0.00 H new ATOM 0 HG13 ILE A 19 0.361 -3.772 4.797 1.00 0.00 H new ATOM 0 HG21 ILE A 19 1.314 -1.209 6.979 1.00 0.00 H new ATOM 0 HG22 ILE A 19 2.099 -2.352 8.095 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.468 -2.412 6.355 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -1.989 -3.017 4.537 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -1.844 -4.141 5.909 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -1.977 -2.391 6.203 1.00 0.00 H new ATOM 319 N GLU A 20 -0.465 -6.315 7.926 1.00 0.00 N ATOM 320 CA GLU A 20 -1.569 -7.319 7.823 1.00 0.00 C ATOM 321 C GLU A 20 -2.923 -6.609 7.747 1.00 0.00 C ATOM 322 O GLU A 20 -3.124 -5.573 8.354 1.00 0.00 O ATOM 323 CB GLU A 20 -1.471 -8.153 9.101 1.00 0.00 C ATOM 324 CG GLU A 20 -0.204 -9.010 9.055 1.00 0.00 C ATOM 325 CD GLU A 20 0.076 -9.583 10.445 1.00 0.00 C ATOM 326 OE1 GLU A 20 0.699 -8.893 11.235 1.00 0.00 O ATOM 327 OE2 GLU A 20 -0.339 -10.703 10.697 1.00 0.00 O ATOM 0 H GLU A 20 -0.077 -6.194 8.861 1.00 0.00 H new ATOM 0 HA GLU A 20 -1.483 -7.936 6.929 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -1.450 -7.500 9.973 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -2.350 -8.790 9.201 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -0.325 -9.819 8.334 1.00 0.00 H new ATOM 0 HG3 GLU A 20 0.642 -8.409 8.721 1.00 0.00 H new ATOM 334 N ALA A 21 -3.850 -7.157 7.004 1.00 0.00 N ATOM 335 CA ALA A 21 -5.194 -6.521 6.882 1.00 0.00 C ATOM 336 C ALA A 21 -6.232 -7.558 6.449 1.00 0.00 C ATOM 337 O ALA A 21 -5.894 -8.639 6.008 1.00 0.00 O ATOM 338 CB ALA A 21 -5.027 -5.448 5.805 1.00 0.00 C ATOM 0 H ALA A 21 -3.732 -8.021 6.475 1.00 0.00 H new ATOM 0 HA ALA A 21 -5.540 -6.101 7.827 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -5.975 -4.932 5.655 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -4.270 -4.731 6.121 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -4.717 -5.916 4.871 1.00 0.00 H new ATOM 344 N VAL A 22 -7.496 -7.233 6.574 1.00 0.00 N ATOM 345 CA VAL A 22 -8.572 -8.193 6.177 1.00 0.00 C ATOM 346 C VAL A 22 -8.375 -8.649 4.721 1.00 0.00 C ATOM 347 O VAL A 22 -8.567 -9.804 4.392 1.00 0.00 O ATOM 348 CB VAL A 22 -9.886 -7.413 6.337 1.00 0.00 C ATOM 349 CG1 VAL A 22 -9.878 -6.177 5.430 1.00 0.00 C ATOM 350 CG2 VAL A 22 -11.066 -8.313 5.961 1.00 0.00 C ATOM 0 H VAL A 22 -7.830 -6.340 6.936 1.00 0.00 H new ATOM 0 HA VAL A 22 -8.564 -9.096 6.788 1.00 0.00 H new ATOM 0 HB VAL A 22 -9.985 -7.094 7.375 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -10.814 -5.631 5.551 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -9.043 -5.531 5.702 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -9.771 -6.489 4.391 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -11.997 -7.758 6.075 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -10.961 -8.637 4.926 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -11.081 -9.185 6.614 1.00 0.00 H new ATOM 360 N ASP A 23 -7.987 -7.746 3.862 1.00 0.00 N ATOM 361 CA ASP A 23 -7.762 -8.104 2.430 1.00 0.00 C ATOM 362 C ASP A 23 -6.892 -7.035 1.771 1.00 0.00 C ATOM 363 O ASP A 23 -6.537 -6.052 2.395 1.00 0.00 O ATOM 364 CB ASP A 23 -9.158 -8.142 1.792 1.00 0.00 C ATOM 365 CG ASP A 23 -9.874 -6.792 1.965 1.00 0.00 C ATOM 366 OD1 ASP A 23 -9.254 -5.857 2.452 1.00 0.00 O ATOM 367 OD2 ASP A 23 -11.037 -6.717 1.605 1.00 0.00 O ATOM 0 H ASP A 23 -7.815 -6.767 4.092 1.00 0.00 H new ATOM 0 HA ASP A 23 -7.250 -9.059 2.313 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -9.072 -8.380 0.732 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -9.750 -8.934 2.249 1.00 0.00 H new ATOM 372 N ALA A 24 -6.544 -7.212 0.521 1.00 0.00 N ATOM 373 CA ALA A 24 -5.694 -6.191 -0.162 1.00 0.00 C ATOM 374 C ALA A 24 -6.440 -4.855 -0.224 1.00 0.00 C ATOM 375 O ALA A 24 -5.840 -3.797 -0.222 1.00 0.00 O ATOM 376 CB ALA A 24 -5.443 -6.729 -1.570 1.00 0.00 C ATOM 0 H ALA A 24 -6.810 -8.013 -0.052 1.00 0.00 H new ATOM 0 HA ALA A 24 -4.757 -6.020 0.368 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -4.823 -6.024 -2.124 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -4.932 -7.689 -1.507 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -6.395 -6.858 -2.085 1.00 0.00 H new ATOM 382 N ALA A 25 -7.752 -4.900 -0.276 1.00 0.00 N ATOM 383 CA ALA A 25 -8.555 -3.641 -0.332 1.00 0.00 C ATOM 384 C ALA A 25 -8.202 -2.741 0.855 1.00 0.00 C ATOM 385 O ALA A 25 -7.865 -1.583 0.689 1.00 0.00 O ATOM 386 CB ALA A 25 -10.018 -4.086 -0.249 1.00 0.00 C ATOM 0 H ALA A 25 -8.301 -5.760 -0.282 1.00 0.00 H new ATOM 0 HA ALA A 25 -8.359 -3.070 -1.240 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -10.667 -3.211 -0.285 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -10.247 -4.742 -1.089 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -10.183 -4.622 0.686 1.00 0.00 H new ATOM 392 N GLU A 26 -8.263 -3.275 2.049 1.00 0.00 N ATOM 393 CA GLU A 26 -7.913 -2.466 3.253 1.00 0.00 C ATOM 394 C GLU A 26 -6.439 -2.077 3.182 1.00 0.00 C ATOM 395 O GLU A 26 -6.070 -0.949 3.454 1.00 0.00 O ATOM 396 CB GLU A 26 -8.173 -3.382 4.453 1.00 0.00 C ATOM 397 CG GLU A 26 -9.487 -2.985 5.131 1.00 0.00 C ATOM 398 CD GLU A 26 -9.350 -1.582 5.729 1.00 0.00 C ATOM 399 OE1 GLU A 26 -8.429 -1.377 6.502 1.00 0.00 O ATOM 400 OE2 GLU A 26 -10.168 -0.738 5.400 1.00 0.00 O ATOM 0 H GLU A 26 -8.541 -4.238 2.241 1.00 0.00 H new ATOM 0 HA GLU A 26 -8.496 -1.548 3.326 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -8.221 -4.421 4.126 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -7.350 -3.309 5.163 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -10.302 -3.006 4.408 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -9.736 -3.702 5.913 1.00 0.00 H new ATOM 407 N ALA A 27 -5.592 -3.002 2.798 1.00 0.00 N ATOM 408 CA ALA A 27 -4.131 -2.692 2.683 1.00 0.00 C ATOM 409 C ALA A 27 -3.931 -1.505 1.739 1.00 0.00 C ATOM 410 O ALA A 27 -3.243 -0.554 2.062 1.00 0.00 O ATOM 411 CB ALA A 27 -3.487 -3.948 2.096 1.00 0.00 C ATOM 0 H ALA A 27 -5.850 -3.960 2.559 1.00 0.00 H new ATOM 0 HA ALA A 27 -3.691 -2.429 3.645 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -2.414 -3.789 1.985 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -3.662 -4.792 2.763 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -3.925 -4.160 1.121 1.00 0.00 H new ATOM 417 N GLU A 28 -4.548 -1.546 0.580 1.00 0.00 N ATOM 418 CA GLU A 28 -4.414 -0.411 -0.381 1.00 0.00 C ATOM 419 C GLU A 28 -4.908 0.875 0.283 1.00 0.00 C ATOM 420 O GLU A 28 -4.340 1.925 0.097 1.00 0.00 O ATOM 421 CB GLU A 28 -5.292 -0.770 -1.583 1.00 0.00 C ATOM 422 CG GLU A 28 -4.830 0.025 -2.813 1.00 0.00 C ATOM 423 CD GLU A 28 -5.882 -0.088 -3.918 1.00 0.00 C ATOM 424 OE1 GLU A 28 -6.453 -1.157 -4.057 1.00 0.00 O ATOM 425 OE2 GLU A 28 -6.100 0.896 -4.605 1.00 0.00 O ATOM 0 H GLU A 28 -5.136 -2.316 0.262 1.00 0.00 H new ATOM 0 HA GLU A 28 -3.381 -0.250 -0.688 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.231 -1.839 -1.784 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -6.336 -0.546 -1.364 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.678 1.071 -2.547 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -3.872 -0.357 -3.167 1.00 0.00 H new ATOM 432 N LYS A 29 -5.948 0.788 1.079 1.00 0.00 N ATOM 433 CA LYS A 29 -6.458 2.007 1.778 1.00 0.00 C ATOM 434 C LYS A 29 -5.419 2.465 2.805 1.00 0.00 C ATOM 435 O LYS A 29 -4.989 3.605 2.808 1.00 0.00 O ATOM 436 CB LYS A 29 -7.750 1.570 2.472 1.00 0.00 C ATOM 437 CG LYS A 29 -8.830 1.265 1.423 1.00 0.00 C ATOM 438 CD LYS A 29 -10.105 2.052 1.742 1.00 0.00 C ATOM 439 CE LYS A 29 -10.028 3.436 1.093 1.00 0.00 C ATOM 440 NZ LYS A 29 -10.598 4.368 2.104 1.00 0.00 N ATOM 0 H LYS A 29 -6.462 -0.071 1.273 1.00 0.00 H new ATOM 0 HA LYS A 29 -6.640 2.838 1.097 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -7.564 0.686 3.083 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -8.095 2.355 3.144 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -8.469 1.529 0.429 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -9.045 0.197 1.410 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -10.979 1.514 1.373 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -10.223 2.151 2.821 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -8.999 3.700 0.848 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -10.595 3.468 0.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -10.579 5.339 1.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -11.580 4.096 2.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -10.034 4.321 2.976 1.00 0.00 H new ATOM 454 N ILE A 30 -4.993 1.567 3.662 1.00 0.00 N ATOM 455 CA ILE A 30 -3.958 1.924 4.685 1.00 0.00 C ATOM 456 C ILE A 30 -2.704 2.437 3.969 1.00 0.00 C ATOM 457 O ILE A 30 -2.082 3.395 4.387 1.00 0.00 O ATOM 458 CB ILE A 30 -3.663 0.617 5.436 1.00 0.00 C ATOM 459 CG1 ILE A 30 -4.926 0.147 6.167 1.00 0.00 C ATOM 460 CG2 ILE A 30 -2.548 0.844 6.462 1.00 0.00 C ATOM 461 CD1 ILE A 30 -4.767 -1.317 6.590 1.00 0.00 C ATOM 0 H ILE A 30 -5.318 0.601 3.697 1.00 0.00 H new ATOM 0 HA ILE A 30 -4.289 2.705 5.369 1.00 0.00 H new ATOM 0 HB ILE A 30 -3.348 -0.140 4.717 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -5.104 0.771 7.043 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -5.795 0.255 5.517 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -2.345 -0.087 6.990 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -1.645 1.176 5.950 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -2.860 1.606 7.176 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -5.667 -1.646 7.109 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -4.611 -1.936 5.707 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -3.909 -1.412 7.256 1.00 0.00 H new ATOM 473 N PHE A 31 -2.349 1.804 2.881 1.00 0.00 N ATOM 474 CA PHE A 31 -1.153 2.246 2.107 1.00 0.00 C ATOM 475 C PHE A 31 -1.465 3.563 1.387 1.00 0.00 C ATOM 476 O PHE A 31 -0.631 4.444 1.297 1.00 0.00 O ATOM 477 CB PHE A 31 -0.894 1.126 1.092 1.00 0.00 C ATOM 478 CG PHE A 31 -0.084 0.026 1.737 1.00 0.00 C ATOM 479 CD1 PHE A 31 1.115 0.331 2.394 1.00 0.00 C ATOM 480 CD2 PHE A 31 -0.531 -1.300 1.675 1.00 0.00 C ATOM 481 CE1 PHE A 31 1.866 -0.689 2.987 1.00 0.00 C ATOM 482 CE2 PHE A 31 0.221 -2.320 2.270 1.00 0.00 C ATOM 483 CZ PHE A 31 1.419 -2.015 2.926 1.00 0.00 C ATOM 0 H PHE A 31 -2.839 0.997 2.495 1.00 0.00 H new ATOM 0 HA PHE A 31 -0.285 2.420 2.743 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -1.841 0.727 0.728 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -0.362 1.523 0.227 1.00 0.00 H new ATOM 0 HD1 PHE A 31 1.459 1.353 2.443 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -1.455 -1.535 1.168 1.00 0.00 H new ATOM 0 HE1 PHE A 31 2.791 -0.454 3.492 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -0.123 -3.343 2.223 1.00 0.00 H new ATOM 0 HZ PHE A 31 1.999 -2.802 3.385 1.00 0.00 H new ATOM 493 N LYS A 32 -2.664 3.695 0.873 1.00 0.00 N ATOM 494 CA LYS A 32 -3.051 4.944 0.152 1.00 0.00 C ATOM 495 C LYS A 32 -3.282 6.108 1.126 1.00 0.00 C ATOM 496 O LYS A 32 -3.518 7.226 0.707 1.00 0.00 O ATOM 497 CB LYS A 32 -4.347 4.610 -0.588 1.00 0.00 C ATOM 498 CG LYS A 32 -4.032 3.791 -1.849 1.00 0.00 C ATOM 499 CD LYS A 32 -4.170 4.677 -3.091 1.00 0.00 C ATOM 500 CE LYS A 32 -4.329 3.796 -4.332 1.00 0.00 C ATOM 501 NZ LYS A 32 -5.785 3.483 -4.396 1.00 0.00 N ATOM 0 H LYS A 32 -3.395 2.985 0.923 1.00 0.00 H new ATOM 0 HA LYS A 32 -2.259 5.262 -0.527 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -5.014 4.047 0.065 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -4.868 5.528 -0.861 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -3.021 3.388 -1.789 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -4.710 2.941 -1.920 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -5.032 5.336 -2.987 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -3.292 5.315 -3.195 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -3.997 4.316 -5.231 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -3.733 2.887 -4.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -5.916 2.506 -4.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -6.204 3.585 -3.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -6.252 4.139 -5.054 1.00 0.00 H new ATOM 515 N GLN A 33 -3.170 5.876 2.414 1.00 0.00 N ATOM 516 CA GLN A 33 -3.333 6.993 3.395 1.00 0.00 C ATOM 517 C GLN A 33 -1.938 7.280 3.912 1.00 0.00 C ATOM 518 O GLN A 33 -1.474 8.402 3.972 1.00 0.00 O ATOM 519 CB GLN A 33 -4.235 6.448 4.502 1.00 0.00 C ATOM 520 CG GLN A 33 -5.669 6.332 3.983 1.00 0.00 C ATOM 521 CD GLN A 33 -6.555 5.708 5.063 1.00 0.00 C ATOM 522 OE1 GLN A 33 -6.095 4.914 5.860 1.00 0.00 O ATOM 523 NE2 GLN A 33 -7.817 6.036 5.124 1.00 0.00 N ATOM 0 H GLN A 33 -2.973 4.964 2.825 1.00 0.00 H new ATOM 0 HA GLN A 33 -3.771 7.904 2.987 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -3.876 5.473 4.830 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -4.203 7.108 5.369 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -6.049 7.317 3.710 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -5.692 5.721 3.081 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -8.204 6.702 4.455 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -8.416 5.626 5.840 1.00 0.00 H new ATOM 532 N TYR A 34 -1.253 6.218 4.217 1.00 0.00 N ATOM 533 CA TYR A 34 0.160 6.277 4.668 1.00 0.00 C ATOM 534 C TYR A 34 0.984 7.096 3.651 1.00 0.00 C ATOM 535 O TYR A 34 1.877 7.839 4.008 1.00 0.00 O ATOM 536 CB TYR A 34 0.530 4.779 4.655 1.00 0.00 C ATOM 537 CG TYR A 34 2.026 4.561 4.527 1.00 0.00 C ATOM 538 CD1 TYR A 34 2.639 4.627 3.269 1.00 0.00 C ATOM 539 CD2 TYR A 34 2.793 4.291 5.666 1.00 0.00 C ATOM 540 CE1 TYR A 34 4.019 4.425 3.152 1.00 0.00 C ATOM 541 CE2 TYR A 34 4.174 4.088 5.548 1.00 0.00 C ATOM 542 CZ TYR A 34 4.786 4.155 4.292 1.00 0.00 C ATOM 543 OH TYR A 34 6.147 3.957 4.177 1.00 0.00 O ATOM 0 H TYR A 34 -1.632 5.272 4.170 1.00 0.00 H new ATOM 0 HA TYR A 34 0.337 6.754 5.632 1.00 0.00 H new ATOM 0 HB2 TYR A 34 0.173 4.310 5.572 1.00 0.00 H new ATOM 0 HB3 TYR A 34 0.020 4.287 3.826 1.00 0.00 H new ATOM 0 HD1 TYR A 34 2.047 4.834 2.390 1.00 0.00 H new ATOM 0 HD2 TYR A 34 2.320 4.239 6.636 1.00 0.00 H new ATOM 0 HE1 TYR A 34 4.492 4.477 2.183 1.00 0.00 H new ATOM 0 HE2 TYR A 34 4.766 3.880 6.427 1.00 0.00 H new ATOM 0 HH TYR A 34 6.528 3.782 5.063 1.00 0.00 H new ATOM 553 N ALA A 35 0.667 6.956 2.387 1.00 0.00 N ATOM 554 CA ALA A 35 1.400 7.712 1.325 1.00 0.00 C ATOM 555 C ALA A 35 1.092 9.209 1.432 1.00 0.00 C ATOM 556 O ALA A 35 1.985 10.035 1.456 1.00 0.00 O ATOM 557 CB ALA A 35 0.868 7.165 -0.004 1.00 0.00 C ATOM 0 H ALA A 35 -0.074 6.345 2.043 1.00 0.00 H new ATOM 0 HA ALA A 35 2.480 7.593 1.416 1.00 0.00 H new ATOM 0 HB1 ALA A 35 1.362 7.675 -0.831 1.00 0.00 H new ATOM 0 HB2 ALA A 35 1.070 6.096 -0.064 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -0.207 7.335 -0.063 1.00 0.00 H new ATOM 563 N ASN A 36 -0.169 9.560 1.488 1.00 0.00 N ATOM 564 CA ASN A 36 -0.555 11.005 1.583 1.00 0.00 C ATOM 565 C ASN A 36 0.106 11.669 2.796 1.00 0.00 C ATOM 566 O ASN A 36 0.706 12.722 2.685 1.00 0.00 O ATOM 567 CB ASN A 36 -2.075 11.006 1.740 1.00 0.00 C ATOM 568 CG ASN A 36 -2.732 10.880 0.364 1.00 0.00 C ATOM 569 OD1 ASN A 36 -3.179 11.859 -0.200 1.00 0.00 O ATOM 570 ND2 ASN A 36 -2.810 9.707 -0.203 1.00 0.00 N ATOM 0 H ASN A 36 -0.952 8.906 1.472 1.00 0.00 H new ATOM 0 HA ASN A 36 -0.232 11.565 0.706 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -2.385 10.180 2.380 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -2.400 11.925 2.227 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -3.246 9.612 -1.120 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -2.435 8.885 0.271 1.00 0.00 H new ATOM 577 N ASP A 37 -0.002 11.064 3.952 1.00 0.00 N ATOM 578 CA ASP A 37 0.618 11.661 5.181 1.00 0.00 C ATOM 579 C ASP A 37 2.119 11.889 4.977 1.00 0.00 C ATOM 580 O ASP A 37 2.724 12.721 5.626 1.00 0.00 O ATOM 581 CB ASP A 37 0.377 10.639 6.294 1.00 0.00 C ATOM 582 CG ASP A 37 -1.055 10.778 6.814 1.00 0.00 C ATOM 583 OD1 ASP A 37 -1.930 10.128 6.266 1.00 0.00 O ATOM 584 OD2 ASP A 37 -1.253 11.533 7.752 1.00 0.00 O ATOM 0 H ASP A 37 -0.492 10.182 4.101 1.00 0.00 H new ATOM 0 HA ASP A 37 0.185 12.632 5.419 1.00 0.00 H new ATOM 0 HB2 ASP A 37 0.542 9.630 5.917 1.00 0.00 H new ATOM 0 HB3 ASP A 37 1.087 10.796 7.106 1.00 0.00 H new ATOM 589 N ASN A 38 2.713 11.153 4.081 1.00 0.00 N ATOM 590 CA ASN A 38 4.165 11.305 3.817 1.00 0.00 C ATOM 591 C ASN A 38 4.394 12.172 2.574 1.00 0.00 C ATOM 592 O ASN A 38 5.417 12.816 2.437 1.00 0.00 O ATOM 593 CB ASN A 38 4.675 9.883 3.581 1.00 0.00 C ATOM 594 CG ASN A 38 5.158 9.288 4.906 1.00 0.00 C ATOM 595 OD1 ASN A 38 4.642 9.613 5.956 1.00 0.00 O ATOM 596 ND2 ASN A 38 6.136 8.425 4.900 1.00 0.00 N ATOM 0 H ASN A 38 2.246 10.445 3.515 1.00 0.00 H new ATOM 0 HA ASN A 38 4.684 11.794 4.641 1.00 0.00 H new ATOM 0 HB2 ASN A 38 3.881 9.266 3.161 1.00 0.00 H new ATOM 0 HB3 ASN A 38 5.489 9.893 2.856 1.00 0.00 H new ATOM 0 HD21 ASN A 38 6.467 8.023 5.777 1.00 0.00 H new ATOM 0 HD22 ASN A 38 6.570 8.152 4.018 1.00 0.00 H new ATOM 603 N GLY A 39 3.448 12.187 1.667 1.00 0.00 N ATOM 604 CA GLY A 39 3.603 13.004 0.427 1.00 0.00 C ATOM 605 C GLY A 39 3.833 12.075 -0.767 1.00 0.00 C ATOM 606 O GLY A 39 4.495 12.431 -1.724 1.00 0.00 O ATOM 0 H GLY A 39 2.573 11.667 1.734 1.00 0.00 H new ATOM 0 HA2 GLY A 39 2.712 13.610 0.264 1.00 0.00 H new ATOM 0 HA3 GLY A 39 4.442 13.692 0.534 1.00 0.00 H new ATOM 610 N ILE A 40 3.291 10.885 -0.713 1.00 0.00 N ATOM 611 CA ILE A 40 3.468 9.916 -1.833 1.00 0.00 C ATOM 612 C ILE A 40 2.249 9.996 -2.760 1.00 0.00 C ATOM 613 O ILE A 40 1.164 9.562 -2.424 1.00 0.00 O ATOM 614 CB ILE A 40 3.609 8.557 -1.113 1.00 0.00 C ATOM 615 CG1 ILE A 40 5.077 8.340 -0.761 1.00 0.00 C ATOM 616 CG2 ILE A 40 3.134 7.374 -1.963 1.00 0.00 C ATOM 617 CD1 ILE A 40 5.478 9.356 0.299 1.00 0.00 C ATOM 0 H ILE A 40 2.729 10.542 0.066 1.00 0.00 H new ATOM 0 HA ILE A 40 4.329 10.103 -2.475 1.00 0.00 H new ATOM 0 HB ILE A 40 2.978 8.596 -0.225 1.00 0.00 H new ATOM 0 HG12 ILE A 40 5.231 7.326 -0.391 1.00 0.00 H new ATOM 0 HG13 ILE A 40 5.700 8.454 -1.648 1.00 0.00 H new ATOM 0 HG21 ILE A 40 3.259 6.449 -1.401 1.00 0.00 H new ATOM 0 HG22 ILE A 40 2.082 7.506 -2.215 1.00 0.00 H new ATOM 0 HG23 ILE A 40 3.723 7.324 -2.879 1.00 0.00 H new ATOM 0 HD11 ILE A 40 6.526 9.213 0.562 1.00 0.00 H new ATOM 0 HD12 ILE A 40 5.335 10.364 -0.091 1.00 0.00 H new ATOM 0 HD13 ILE A 40 4.860 9.219 1.186 1.00 0.00 H new ATOM 629 N ASP A 41 2.435 10.562 -3.920 1.00 0.00 N ATOM 630 CA ASP A 41 1.303 10.693 -4.887 1.00 0.00 C ATOM 631 C ASP A 41 1.823 10.709 -6.329 1.00 0.00 C ATOM 632 O ASP A 41 2.300 11.719 -6.812 1.00 0.00 O ATOM 633 CB ASP A 41 0.640 12.027 -4.542 1.00 0.00 C ATOM 634 CG ASP A 41 -0.873 11.908 -4.729 1.00 0.00 C ATOM 635 OD1 ASP A 41 -1.475 11.104 -4.037 1.00 0.00 O ATOM 636 OD2 ASP A 41 -1.405 12.625 -5.561 1.00 0.00 O ATOM 0 H ASP A 41 3.325 10.942 -4.243 1.00 0.00 H new ATOM 0 HA ASP A 41 0.606 9.858 -4.816 1.00 0.00 H new ATOM 0 HB2 ASP A 41 0.869 12.304 -3.513 1.00 0.00 H new ATOM 0 HB3 ASP A 41 1.035 12.817 -5.180 1.00 0.00 H new ATOM 641 N GLY A 42 1.733 9.596 -7.011 1.00 0.00 N ATOM 642 CA GLY A 42 2.219 9.533 -8.421 1.00 0.00 C ATOM 643 C GLY A 42 1.594 8.329 -9.137 1.00 0.00 C ATOM 644 O GLY A 42 0.981 8.471 -10.178 1.00 0.00 O ATOM 0 H GLY A 42 1.342 8.726 -6.650 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.960 10.453 -8.945 1.00 0.00 H new ATOM 0 HA3 GLY A 42 3.306 9.452 -8.437 1.00 0.00 H new ATOM 648 N GLU A 43 1.752 7.147 -8.591 1.00 0.00 N ATOM 649 CA GLU A 43 1.174 5.930 -9.247 1.00 0.00 C ATOM 650 C GLU A 43 0.707 4.920 -8.191 1.00 0.00 C ATOM 651 O GLU A 43 0.996 5.065 -7.025 1.00 0.00 O ATOM 652 CB GLU A 43 2.328 5.351 -10.070 1.00 0.00 C ATOM 653 CG GLU A 43 1.817 4.197 -10.934 1.00 0.00 C ATOM 654 CD GLU A 43 2.875 3.834 -11.978 1.00 0.00 C ATOM 655 OE1 GLU A 43 3.224 4.698 -12.766 1.00 0.00 O ATOM 656 OE2 GLU A 43 3.319 2.697 -11.971 1.00 0.00 O ATOM 0 H GLU A 43 2.255 6.972 -7.721 1.00 0.00 H new ATOM 0 HA GLU A 43 0.304 6.164 -9.860 1.00 0.00 H new ATOM 0 HB2 GLU A 43 2.762 6.126 -10.701 1.00 0.00 H new ATOM 0 HB3 GLU A 43 3.119 5.000 -9.408 1.00 0.00 H new ATOM 0 HG2 GLU A 43 1.595 3.332 -10.309 1.00 0.00 H new ATOM 0 HG3 GLU A 43 0.887 4.481 -11.427 1.00 0.00 H new ATOM 663 N TRP A 44 -0.010 3.900 -8.606 1.00 0.00 N ATOM 664 CA TRP A 44 -0.508 2.856 -7.647 1.00 0.00 C ATOM 665 C TRP A 44 -0.857 1.580 -8.411 1.00 0.00 C ATOM 666 O TRP A 44 -1.639 1.602 -9.343 1.00 0.00 O ATOM 667 CB TRP A 44 -1.783 3.432 -7.022 1.00 0.00 C ATOM 668 CG TRP A 44 -1.440 4.237 -5.822 1.00 0.00 C ATOM 669 CD1 TRP A 44 -1.337 5.585 -5.772 1.00 0.00 C ATOM 670 CD2 TRP A 44 -1.170 3.751 -4.489 1.00 0.00 C ATOM 671 NE1 TRP A 44 -0.989 5.952 -4.485 1.00 0.00 N ATOM 672 CE2 TRP A 44 -0.877 4.852 -3.656 1.00 0.00 C ATOM 673 CE3 TRP A 44 -1.144 2.463 -3.937 1.00 0.00 C ATOM 674 CZ2 TRP A 44 -0.564 4.682 -2.310 1.00 0.00 C ATOM 675 CZ3 TRP A 44 -0.832 2.286 -2.580 1.00 0.00 C ATOM 676 CH2 TRP A 44 -0.539 3.394 -1.770 1.00 0.00 C ATOM 0 H TRP A 44 -0.275 3.744 -9.579 1.00 0.00 H new ATOM 0 HA TRP A 44 0.243 2.614 -6.895 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -2.306 4.053 -7.749 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -2.460 2.624 -6.747 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -1.499 6.261 -6.598 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -0.834 6.915 -4.185 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -1.364 1.606 -4.556 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -0.343 5.538 -1.689 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -0.817 1.292 -2.157 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -0.294 3.251 -0.728 1.00 0.00 H new ATOM 687 N THR A 45 -0.296 0.468 -8.016 1.00 0.00 N ATOM 688 CA THR A 45 -0.607 -0.819 -8.712 1.00 0.00 C ATOM 689 C THR A 45 -0.591 -1.954 -7.703 1.00 0.00 C ATOM 690 O THR A 45 0.333 -2.084 -6.926 1.00 0.00 O ATOM 691 CB THR A 45 0.493 -1.042 -9.761 1.00 0.00 C ATOM 692 OG1 THR A 45 1.689 -1.454 -9.116 1.00 0.00 O ATOM 693 CG2 THR A 45 0.752 0.243 -10.545 1.00 0.00 C ATOM 0 H THR A 45 0.364 0.393 -7.242 1.00 0.00 H new ATOM 0 HA THR A 45 -1.590 -0.785 -9.182 1.00 0.00 H new ATOM 0 HB THR A 45 0.164 -1.816 -10.454 1.00 0.00 H new ATOM 0 HG1 THR A 45 2.389 -1.597 -9.786 1.00 0.00 H new ATOM 0 HG21 THR A 45 1.534 0.067 -11.284 1.00 0.00 H new ATOM 0 HG22 THR A 45 -0.163 0.551 -11.051 1.00 0.00 H new ATOM 0 HG23 THR A 45 1.070 1.029 -9.860 1.00 0.00 H new ATOM 701 N TYR A 46 -1.600 -2.777 -7.716 1.00 0.00 N ATOM 702 CA TYR A 46 -1.645 -3.917 -6.757 1.00 0.00 C ATOM 703 C TYR A 46 -1.120 -5.188 -7.439 1.00 0.00 C ATOM 704 O TYR A 46 -1.241 -5.357 -8.639 1.00 0.00 O ATOM 705 CB TYR A 46 -3.124 -4.061 -6.363 1.00 0.00 C ATOM 706 CG TYR A 46 -3.315 -5.331 -5.559 1.00 0.00 C ATOM 707 CD1 TYR A 46 -2.570 -5.534 -4.394 1.00 0.00 C ATOM 708 CD2 TYR A 46 -4.215 -6.311 -5.994 1.00 0.00 C ATOM 709 CE1 TYR A 46 -2.727 -6.712 -3.658 1.00 0.00 C ATOM 710 CE2 TYR A 46 -4.371 -7.492 -5.258 1.00 0.00 C ATOM 711 CZ TYR A 46 -3.627 -7.692 -4.090 1.00 0.00 C ATOM 712 OH TYR A 46 -3.779 -8.856 -3.366 1.00 0.00 O ATOM 0 H TYR A 46 -2.397 -2.711 -8.349 1.00 0.00 H new ATOM 0 HA TYR A 46 -1.022 -3.751 -5.878 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -3.441 -3.197 -5.778 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -3.748 -4.087 -7.256 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -1.872 -4.780 -4.062 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -4.788 -6.156 -6.896 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -2.153 -6.866 -2.756 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -5.066 -8.249 -5.592 1.00 0.00 H new ATOM 0 HH TYR A 46 -4.443 -9.429 -3.803 1.00 0.00 H new ATOM 722 N ASP A 47 -0.554 -6.084 -6.673 1.00 0.00 N ATOM 723 CA ASP A 47 -0.032 -7.355 -7.254 1.00 0.00 C ATOM 724 C ASP A 47 -0.662 -8.547 -6.530 1.00 0.00 C ATOM 725 O ASP A 47 -0.239 -8.925 -5.454 1.00 0.00 O ATOM 726 CB ASP A 47 1.478 -7.315 -7.019 1.00 0.00 C ATOM 727 CG ASP A 47 2.080 -6.120 -7.759 1.00 0.00 C ATOM 728 OD1 ASP A 47 2.017 -6.111 -8.978 1.00 0.00 O ATOM 729 OD2 ASP A 47 2.592 -5.234 -7.097 1.00 0.00 O ATOM 0 H ASP A 47 -0.431 -5.989 -5.665 1.00 0.00 H new ATOM 0 HA ASP A 47 -0.268 -7.458 -8.313 1.00 0.00 H new ATOM 0 HB2 ASP A 47 1.688 -7.239 -5.952 1.00 0.00 H new ATOM 0 HB3 ASP A 47 1.935 -8.240 -7.369 1.00 0.00 H new ATOM 734 N ASP A 48 -1.672 -9.140 -7.119 1.00 0.00 N ATOM 735 CA ASP A 48 -2.344 -10.313 -6.473 1.00 0.00 C ATOM 736 C ASP A 48 -1.443 -11.561 -6.492 1.00 0.00 C ATOM 737 O ASP A 48 -1.792 -12.587 -5.937 1.00 0.00 O ATOM 738 CB ASP A 48 -3.615 -10.555 -7.296 1.00 0.00 C ATOM 739 CG ASP A 48 -3.248 -10.834 -8.757 1.00 0.00 C ATOM 740 OD1 ASP A 48 -2.708 -9.944 -9.392 1.00 0.00 O ATOM 741 OD2 ASP A 48 -3.514 -11.934 -9.214 1.00 0.00 O ATOM 0 H ASP A 48 -2.061 -8.863 -8.020 1.00 0.00 H new ATOM 0 HA ASP A 48 -2.563 -10.114 -5.424 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -4.170 -11.398 -6.884 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -4.268 -9.684 -7.236 1.00 0.00 H new ATOM 746 N ALA A 49 -0.293 -11.483 -7.115 1.00 0.00 N ATOM 747 CA ALA A 49 0.625 -12.657 -7.160 1.00 0.00 C ATOM 748 C ALA A 49 1.569 -12.618 -5.959 1.00 0.00 C ATOM 749 O ALA A 49 2.028 -13.641 -5.485 1.00 0.00 O ATOM 750 CB ALA A 49 1.406 -12.501 -8.465 1.00 0.00 C ATOM 0 H ALA A 49 0.049 -10.651 -7.596 1.00 0.00 H new ATOM 0 HA ALA A 49 0.092 -13.607 -7.121 1.00 0.00 H new ATOM 0 HB1 ALA A 49 2.106 -13.330 -8.572 1.00 0.00 H new ATOM 0 HB2 ALA A 49 0.713 -12.501 -9.306 1.00 0.00 H new ATOM 0 HB3 ALA A 49 1.957 -11.561 -8.449 1.00 0.00 H new ATOM 756 N THR A 50 1.851 -11.442 -5.453 1.00 0.00 N ATOM 757 CA THR A 50 2.749 -11.327 -4.270 1.00 0.00 C ATOM 758 C THR A 50 2.075 -10.487 -3.177 1.00 0.00 C ATOM 759 O THR A 50 2.686 -10.153 -2.180 1.00 0.00 O ATOM 760 CB THR A 50 4.004 -10.624 -4.790 1.00 0.00 C ATOM 761 OG1 THR A 50 3.647 -9.367 -5.346 1.00 0.00 O ATOM 762 CG2 THR A 50 4.663 -11.491 -5.864 1.00 0.00 C ATOM 0 H THR A 50 1.495 -10.556 -5.812 1.00 0.00 H new ATOM 0 HA THR A 50 2.980 -12.297 -3.830 1.00 0.00 H new ATOM 0 HB THR A 50 4.703 -10.470 -3.968 1.00 0.00 H new ATOM 0 HG1 THR A 50 4.451 -8.916 -5.678 1.00 0.00 H new ATOM 0 HG21 THR A 50 5.558 -10.992 -6.236 1.00 0.00 H new ATOM 0 HG22 THR A 50 4.937 -12.455 -5.436 1.00 0.00 H new ATOM 0 HG23 THR A 50 3.965 -11.645 -6.687 1.00 0.00 H new ATOM 770 N LYS A 51 0.814 -10.139 -3.354 1.00 0.00 N ATOM 771 CA LYS A 51 0.093 -9.317 -2.328 1.00 0.00 C ATOM 772 C LYS A 51 0.869 -8.029 -2.042 1.00 0.00 C ATOM 773 O LYS A 51 1.008 -7.619 -0.904 1.00 0.00 O ATOM 774 CB LYS A 51 0.016 -10.190 -1.067 1.00 0.00 C ATOM 775 CG LYS A 51 -0.687 -11.513 -1.390 1.00 0.00 C ATOM 776 CD LYS A 51 -2.185 -11.265 -1.580 1.00 0.00 C ATOM 777 CE LYS A 51 -2.745 -12.265 -2.594 1.00 0.00 C ATOM 778 NZ LYS A 51 -3.344 -13.351 -1.773 1.00 0.00 N ATOM 0 H LYS A 51 0.256 -10.392 -4.169 1.00 0.00 H new ATOM 0 HA LYS A 51 -0.900 -9.026 -2.671 1.00 0.00 H new ATOM 0 HB2 LYS A 51 1.019 -10.384 -0.687 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -0.526 -9.663 -0.282 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -0.263 -11.951 -2.294 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -0.526 -12.228 -0.584 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -2.705 -11.368 -0.627 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -2.354 -10.246 -1.927 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -3.492 -11.799 -3.237 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -1.959 -12.649 -3.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -3.749 -14.076 -2.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -2.609 -13.781 -1.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -4.093 -12.957 -1.169 1.00 0.00 H new ATOM 792 N THR A 52 1.383 -7.397 -3.066 1.00 0.00 N ATOM 793 CA THR A 52 2.161 -6.136 -2.854 1.00 0.00 C ATOM 794 C THR A 52 1.668 -5.025 -3.789 1.00 0.00 C ATOM 795 O THR A 52 1.347 -5.265 -4.937 1.00 0.00 O ATOM 796 CB THR A 52 3.608 -6.509 -3.184 1.00 0.00 C ATOM 797 OG1 THR A 52 3.999 -7.627 -2.397 1.00 0.00 O ATOM 798 CG2 THR A 52 4.525 -5.324 -2.881 1.00 0.00 C ATOM 0 H THR A 52 1.299 -7.697 -4.037 1.00 0.00 H new ATOM 0 HA THR A 52 2.051 -5.756 -1.838 1.00 0.00 H new ATOM 0 HB THR A 52 3.685 -6.763 -4.241 1.00 0.00 H new ATOM 0 HG1 THR A 52 4.925 -7.868 -2.608 1.00 0.00 H new ATOM 0 HG21 THR A 52 5.555 -5.591 -3.117 1.00 0.00 H new ATOM 0 HG22 THR A 52 4.225 -4.468 -3.485 1.00 0.00 H new ATOM 0 HG23 THR A 52 4.450 -5.066 -1.825 1.00 0.00 H new ATOM 806 N PHE A 53 1.621 -3.807 -3.304 1.00 0.00 N ATOM 807 CA PHE A 53 1.166 -2.670 -4.161 1.00 0.00 C ATOM 808 C PHE A 53 2.397 -1.931 -4.712 1.00 0.00 C ATOM 809 O PHE A 53 3.516 -2.369 -4.509 1.00 0.00 O ATOM 810 CB PHE A 53 0.346 -1.769 -3.232 1.00 0.00 C ATOM 811 CG PHE A 53 -0.950 -2.458 -2.857 1.00 0.00 C ATOM 812 CD1 PHE A 53 -0.954 -3.447 -1.863 1.00 0.00 C ATOM 813 CD2 PHE A 53 -2.148 -2.107 -3.497 1.00 0.00 C ATOM 814 CE1 PHE A 53 -2.153 -4.082 -1.508 1.00 0.00 C ATOM 815 CE2 PHE A 53 -3.342 -2.746 -3.141 1.00 0.00 C ATOM 816 CZ PHE A 53 -3.346 -3.730 -2.148 1.00 0.00 C ATOM 0 H PHE A 53 1.879 -3.553 -2.350 1.00 0.00 H new ATOM 0 HA PHE A 53 0.572 -2.991 -5.017 1.00 0.00 H new ATOM 0 HB2 PHE A 53 0.919 -1.540 -2.334 1.00 0.00 H new ATOM 0 HB3 PHE A 53 0.134 -0.820 -3.725 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -0.033 -3.720 -1.370 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -2.149 -1.345 -4.263 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -2.155 -4.842 -0.741 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -4.264 -2.478 -3.636 1.00 0.00 H new ATOM 0 HZ PHE A 53 -4.270 -4.218 -1.875 1.00 0.00 H new ATOM 826 N THR A 54 2.220 -0.818 -5.398 1.00 0.00 N ATOM 827 CA THR A 54 3.403 -0.087 -5.937 1.00 0.00 C ATOM 828 C THR A 54 3.030 1.374 -6.121 1.00 0.00 C ATOM 829 O THR A 54 2.342 1.733 -7.060 1.00 0.00 O ATOM 830 CB THR A 54 3.727 -0.732 -7.290 1.00 0.00 C ATOM 831 OG1 THR A 54 3.344 -2.103 -7.283 1.00 0.00 O ATOM 832 CG2 THR A 54 5.229 -0.626 -7.555 1.00 0.00 C ATOM 0 H THR A 54 1.315 -0.395 -5.602 1.00 0.00 H new ATOM 0 HA THR A 54 4.263 -0.140 -5.270 1.00 0.00 H new ATOM 0 HB THR A 54 3.176 -0.212 -8.074 1.00 0.00 H new ATOM 0 HG1 THR A 54 2.593 -2.236 -7.899 1.00 0.00 H new ATOM 0 HG21 THR A 54 5.462 -1.084 -8.516 1.00 0.00 H new ATOM 0 HG22 THR A 54 5.522 0.424 -7.572 1.00 0.00 H new ATOM 0 HG23 THR A 54 5.775 -1.142 -6.765 1.00 0.00 H new ATOM 840 N VAL A 55 3.456 2.213 -5.221 1.00 0.00 N ATOM 841 CA VAL A 55 3.104 3.652 -5.327 1.00 0.00 C ATOM 842 C VAL A 55 4.352 4.513 -5.507 1.00 0.00 C ATOM 843 O VAL A 55 5.407 4.225 -4.976 1.00 0.00 O ATOM 844 CB VAL A 55 2.376 3.988 -4.017 1.00 0.00 C ATOM 845 CG1 VAL A 55 3.270 3.657 -2.822 1.00 0.00 C ATOM 846 CG2 VAL A 55 2.021 5.478 -3.986 1.00 0.00 C ATOM 0 H VAL A 55 4.032 1.964 -4.417 1.00 0.00 H new ATOM 0 HA VAL A 55 2.478 3.853 -6.197 1.00 0.00 H new ATOM 0 HB VAL A 55 1.463 3.395 -3.961 1.00 0.00 H new ATOM 0 HG11 VAL A 55 2.746 3.898 -1.897 1.00 0.00 H new ATOM 0 HG12 VAL A 55 3.515 2.595 -2.834 1.00 0.00 H new ATOM 0 HG13 VAL A 55 4.188 4.241 -2.882 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.505 5.710 -3.054 1.00 0.00 H new ATOM 0 HG22 VAL A 55 2.933 6.071 -4.053 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.372 5.715 -4.829 1.00 0.00 H new ATOM 856 N THR A 56 4.218 5.578 -6.251 1.00 0.00 N ATOM 857 CA THR A 56 5.371 6.488 -6.478 1.00 0.00 C ATOM 858 C THR A 56 4.896 7.946 -6.392 1.00 0.00 C ATOM 859 O THR A 56 3.724 8.204 -6.202 1.00 0.00 O ATOM 860 CB THR A 56 5.911 6.106 -7.877 1.00 0.00 C ATOM 861 OG1 THR A 56 7.291 6.436 -7.952 1.00 0.00 O ATOM 862 CG2 THR A 56 5.155 6.822 -9.008 1.00 0.00 C ATOM 0 H THR A 56 3.352 5.856 -6.713 1.00 0.00 H new ATOM 0 HA THR A 56 6.160 6.391 -5.732 1.00 0.00 H new ATOM 0 HB THR A 56 5.763 5.034 -8.008 1.00 0.00 H new ATOM 0 HG1 THR A 56 7.544 6.964 -7.166 1.00 0.00 H new ATOM 0 HG21 THR A 56 5.570 6.522 -9.970 1.00 0.00 H new ATOM 0 HG22 THR A 56 4.100 6.552 -8.968 1.00 0.00 H new ATOM 0 HG23 THR A 56 5.258 7.901 -8.889 1.00 0.00 H new ATOM 870 N GLU A 57 5.791 8.890 -6.526 1.00 0.00 N ATOM 871 CA GLU A 57 5.380 10.324 -6.450 1.00 0.00 C ATOM 872 C GLU A 57 5.917 11.094 -7.661 1.00 0.00 C ATOM 873 O GLU A 57 7.100 11.395 -7.670 1.00 0.00 O ATOM 874 CB GLU A 57 6.008 10.848 -5.158 1.00 0.00 C ATOM 875 CG GLU A 57 5.589 12.303 -4.938 1.00 0.00 C ATOM 876 CD GLU A 57 6.647 13.236 -5.531 1.00 0.00 C ATOM 877 OE1 GLU A 57 7.820 12.922 -5.411 1.00 0.00 O ATOM 878 OE2 GLU A 57 6.265 14.247 -6.097 1.00 0.00 O ATOM 879 OXT GLU A 57 5.137 11.368 -8.557 1.00 0.00 O ATOM 0 H GLU A 57 6.786 8.731 -6.684 1.00 0.00 H new ATOM 0 HA GLU A 57 4.297 10.444 -6.454 1.00 0.00 H new ATOM 0 HB2 GLU A 57 5.691 10.236 -4.313 1.00 0.00 H new ATOM 0 HB3 GLU A 57 7.094 10.776 -5.214 1.00 0.00 H new ATOM 0 HG2 GLU A 57 4.622 12.489 -5.406 1.00 0.00 H new ATOM 0 HG3 GLU A 57 5.471 12.501 -3.873 1.00 0.00 H new