USER MOD reduce.3.24.130724 H: found=0, std=0, add=526, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 527 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 21 ASN : amide:sc= 1.03 K(o=3.3,f=1.6) USER MOD Set 1.2: A 22 GLN : amide:sc= 2.24 K(o=3.3,f=1.6) USER MOD Set 2.1: A 13 TYR OH : rot 149:sc= 0.429 USER MOD Set 2.2: A 34 THR OG1 : rot 74:sc= 2.07 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ -117:sc= 0.0532 (180deg=0) USER MOD Single : A 24 SER OG : rot 180:sc= -0.626 USER MOD Single : A 25 LYS NZ :NH3+ -132:sc= -0.113 (180deg=-0.857) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -0.475 X(o=-0.47,f=-0.29) USER MOD Single : A 45 THR OG1 : rot -40:sc= -0.0689 USER MOD Single : A 55 LYS NZ :NH3+ -178:sc= 1.09 (180deg=1.09) USER MOD Single : A 56 ASN : amide:sc= 2.08 K(o=2.1,f=-6.1!) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= -1.46 K(o=-1.5,f=-2) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 43:sc= 1.18 USER MOD Single : A 75 GLN : amide:sc= 0.365 X(o=0.36,f=-0.021) USER MOD ----------------------------------------------------------------- ATOM 36 N PRO A 3 -12.454 2.558 -6.036 1.00 0.00 N ATOM 37 CA PRO A 3 -11.124 2.813 -5.491 1.00 0.00 C ATOM 38 C PRO A 3 -11.162 3.457 -4.104 1.00 0.00 C ATOM 39 O PRO A 3 -10.259 3.243 -3.304 1.00 0.00 O ATOM 40 CB PRO A 3 -10.421 3.723 -6.502 1.00 0.00 C ATOM 41 CG PRO A 3 -11.091 3.342 -7.819 1.00 0.00 C ATOM 42 CD PRO A 3 -12.536 3.081 -7.395 1.00 0.00 C ATOM 0 HA PRO A 3 -10.591 1.873 -5.349 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -10.564 4.777 -6.265 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -9.346 3.545 -6.528 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -11.023 4.143 -8.555 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -10.634 2.459 -8.266 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -13.126 3.997 -7.428 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -13.018 2.366 -8.062 1.00 0.00 H new ATOM 50 N GLU A 4 -12.212 4.233 -3.813 1.00 0.00 N ATOM 51 CA GLU A 4 -12.456 4.903 -2.561 1.00 0.00 C ATOM 52 C GLU A 4 -12.307 3.939 -1.379 1.00 0.00 C ATOM 53 O GLU A 4 -11.811 4.316 -0.322 1.00 0.00 O ATOM 54 CB GLU A 4 -13.885 5.438 -2.642 1.00 0.00 C ATOM 55 CG GLU A 4 -14.099 6.488 -3.745 1.00 0.00 C ATOM 56 CD GLU A 4 -15.572 6.875 -3.843 1.00 0.00 C ATOM 57 OE1 GLU A 4 -16.336 6.040 -4.377 1.00 0.00 O ATOM 58 OE2 GLU A 4 -15.904 7.986 -3.376 1.00 0.00 O ATOM 0 H GLU A 4 -12.949 4.411 -4.495 1.00 0.00 H new ATOM 0 HA GLU A 4 -11.735 5.705 -2.399 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -14.565 4.603 -2.812 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -14.153 5.876 -1.681 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -13.499 7.373 -3.533 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -13.757 6.093 -4.702 1.00 0.00 H new ATOM 65 N GLU A 5 -12.725 2.684 -1.554 1.00 0.00 N ATOM 66 CA GLU A 5 -12.620 1.679 -0.506 1.00 0.00 C ATOM 67 C GLU A 5 -11.144 1.487 -0.160 1.00 0.00 C ATOM 68 O GLU A 5 -10.720 1.577 0.991 1.00 0.00 O ATOM 69 CB GLU A 5 -13.222 0.359 -0.998 1.00 0.00 C ATOM 70 CG GLU A 5 -14.696 0.535 -1.368 1.00 0.00 C ATOM 71 CD GLU A 5 -15.253 -0.742 -1.978 1.00 0.00 C ATOM 72 OE1 GLU A 5 -14.915 -0.987 -3.156 1.00 0.00 O ATOM 73 OE2 GLU A 5 -15.996 -1.448 -1.263 1.00 0.00 O ATOM 0 H GLU A 5 -13.142 2.342 -2.420 1.00 0.00 H new ATOM 0 HA GLU A 5 -13.165 2.002 0.381 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -12.666 0.002 -1.865 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -13.126 -0.401 -0.222 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -15.270 0.800 -0.480 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -14.803 1.358 -2.074 1.00 0.00 H new ATOM 80 N LEU A 6 -10.357 1.239 -1.204 1.00 0.00 N ATOM 81 CA LEU A 6 -8.927 1.007 -1.085 1.00 0.00 C ATOM 82 C LEU A 6 -8.239 2.294 -0.634 1.00 0.00 C ATOM 83 O LEU A 6 -7.228 2.243 0.056 1.00 0.00 O ATOM 84 CB LEU A 6 -8.367 0.407 -2.380 1.00 0.00 C ATOM 85 CG LEU A 6 -8.768 -1.079 -2.502 1.00 0.00 C ATOM 86 CD1 LEU A 6 -8.715 -1.537 -3.962 1.00 0.00 C ATOM 87 CD2 LEU A 6 -7.861 -1.990 -1.663 1.00 0.00 C ATOM 0 H LEU A 6 -10.701 1.194 -2.163 1.00 0.00 H new ATOM 0 HA LEU A 6 -8.722 0.263 -0.316 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -8.743 0.963 -3.239 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -7.281 0.499 -2.391 1.00 0.00 H new ATOM 0 HG LEU A 6 -9.787 -1.159 -2.124 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -9.001 -2.587 -4.025 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -9.404 -0.937 -4.557 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -7.702 -1.414 -4.346 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -8.179 -3.026 -1.779 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -6.830 -1.887 -2.001 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -7.929 -1.704 -0.613 1.00 0.00 H new ATOM 99 N LYS A 7 -8.790 3.454 -0.991 1.00 0.00 N ATOM 100 CA LYS A 7 -8.304 4.745 -0.537 1.00 0.00 C ATOM 101 C LYS A 7 -8.482 4.824 0.978 1.00 0.00 C ATOM 102 O LYS A 7 -7.570 5.237 1.689 1.00 0.00 O ATOM 103 CB LYS A 7 -9.057 5.866 -1.263 1.00 0.00 C ATOM 104 CG LYS A 7 -8.337 7.213 -1.125 1.00 0.00 C ATOM 105 CD LYS A 7 -9.065 8.288 -1.937 1.00 0.00 C ATOM 106 CE LYS A 7 -8.325 9.625 -1.820 1.00 0.00 C ATOM 107 NZ LYS A 7 -9.005 10.684 -2.586 1.00 0.00 N ATOM 0 H LYS A 7 -9.597 3.518 -1.612 1.00 0.00 H new ATOM 0 HA LYS A 7 -7.245 4.864 -0.768 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -9.157 5.613 -2.319 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -10.066 5.949 -0.858 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -8.295 7.505 -0.076 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -7.308 7.120 -1.471 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -9.125 7.987 -2.983 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -10.088 8.397 -1.577 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -8.260 9.916 -0.772 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -7.303 9.510 -2.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -8.480 11.576 -2.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -9.044 10.415 -3.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -9.971 10.809 -2.223 1.00 0.00 H new ATOM 121 N GLY A 8 -9.651 4.411 1.474 1.00 0.00 N ATOM 122 CA GLY A 8 -9.951 4.398 2.894 1.00 0.00 C ATOM 123 C GLY A 8 -8.940 3.506 3.603 1.00 0.00 C ATOM 124 O GLY A 8 -8.325 3.913 4.583 1.00 0.00 O ATOM 0 H GLY A 8 -10.417 4.075 0.890 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -9.909 5.410 3.297 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -10.963 4.029 3.062 1.00 0.00 H new ATOM 128 N ILE A 9 -8.758 2.288 3.093 1.00 0.00 N ATOM 129 CA ILE A 9 -7.811 1.319 3.632 1.00 0.00 C ATOM 130 C ILE A 9 -6.396 1.919 3.649 1.00 0.00 C ATOM 131 O ILE A 9 -5.741 1.948 4.689 1.00 0.00 O ATOM 132 CB ILE A 9 -7.912 0.028 2.803 1.00 0.00 C ATOM 133 CG1 ILE A 9 -9.303 -0.625 2.934 1.00 0.00 C ATOM 134 CG2 ILE A 9 -6.794 -0.964 3.134 1.00 0.00 C ATOM 135 CD1 ILE A 9 -9.497 -1.452 4.208 1.00 0.00 C ATOM 0 H ILE A 9 -9.273 1.944 2.282 1.00 0.00 H new ATOM 0 HA ILE A 9 -8.048 1.071 4.667 1.00 0.00 H new ATOM 0 HB ILE A 9 -7.780 0.316 1.760 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -10.062 0.157 2.904 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -9.472 -1.267 2.070 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -6.909 -1.859 2.523 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -5.827 -0.505 2.927 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -6.849 -1.235 4.188 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -10.502 -1.874 4.218 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -8.764 -2.259 4.233 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -9.363 -0.813 5.081 1.00 0.00 H new ATOM 147 N PHE A 10 -5.922 2.409 2.499 1.00 0.00 N ATOM 148 CA PHE A 10 -4.621 3.048 2.359 1.00 0.00 C ATOM 149 C PHE A 10 -4.469 4.109 3.447 1.00 0.00 C ATOM 150 O PHE A 10 -3.499 4.087 4.196 1.00 0.00 O ATOM 151 CB PHE A 10 -4.501 3.684 0.964 1.00 0.00 C ATOM 152 CG PHE A 10 -3.309 4.606 0.784 1.00 0.00 C ATOM 153 CD1 PHE A 10 -3.391 5.926 1.269 1.00 0.00 C ATOM 154 CD2 PHE A 10 -2.056 4.101 0.389 1.00 0.00 C ATOM 155 CE1 PHE A 10 -2.233 6.559 1.734 1.00 0.00 C ATOM 156 CE2 PHE A 10 -0.901 4.873 0.607 1.00 0.00 C ATOM 157 CZ PHE A 10 -0.980 6.038 1.388 1.00 0.00 C ATOM 0 H PHE A 10 -6.447 2.369 1.625 1.00 0.00 H new ATOM 0 HA PHE A 10 -3.829 2.307 2.468 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -4.442 2.888 0.221 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -5.412 4.246 0.757 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -4.338 6.444 1.282 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -1.982 3.130 -0.077 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -2.305 7.441 2.354 1.00 0.00 H new ATOM 0 HE2 PHE A 10 0.042 4.572 0.176 1.00 0.00 H new ATOM 0 HZ PHE A 10 -0.078 6.530 1.720 1.00 0.00 H new ATOM 167 N GLU A 11 -5.431 5.033 3.530 1.00 0.00 N ATOM 168 CA GLU A 11 -5.424 6.120 4.495 1.00 0.00 C ATOM 169 C GLU A 11 -5.348 5.571 5.920 1.00 0.00 C ATOM 170 O GLU A 11 -4.544 6.043 6.720 1.00 0.00 O ATOM 171 CB GLU A 11 -6.657 7.005 4.277 1.00 0.00 C ATOM 172 CG GLU A 11 -6.566 8.307 5.082 1.00 0.00 C ATOM 173 CD GLU A 11 -7.764 9.208 4.803 1.00 0.00 C ATOM 174 OE1 GLU A 11 -7.763 9.836 3.723 1.00 0.00 O ATOM 175 OE2 GLU A 11 -8.666 9.241 5.669 1.00 0.00 O ATOM 0 H GLU A 11 -6.246 5.041 2.916 1.00 0.00 H new ATOM 0 HA GLU A 11 -4.538 6.738 4.348 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -6.756 7.238 3.217 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -7.554 6.458 4.568 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -6.519 8.078 6.147 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -5.645 8.832 4.828 1.00 0.00 H new ATOM 182 N LYS A 12 -6.180 4.574 6.234 1.00 0.00 N ATOM 183 CA LYS A 12 -6.227 3.942 7.543 1.00 0.00 C ATOM 184 C LYS A 12 -4.817 3.540 7.970 1.00 0.00 C ATOM 185 O LYS A 12 -4.387 3.899 9.063 1.00 0.00 O ATOM 186 CB LYS A 12 -7.164 2.723 7.529 1.00 0.00 C ATOM 187 CG LYS A 12 -7.475 2.215 8.947 1.00 0.00 C ATOM 188 CD LYS A 12 -7.765 0.708 8.961 1.00 0.00 C ATOM 189 CE LYS A 12 -8.968 0.335 8.087 1.00 0.00 C ATOM 190 NZ LYS A 12 -9.204 -1.120 8.102 1.00 0.00 N ATOM 0 H LYS A 12 -6.848 4.181 5.571 1.00 0.00 H new ATOM 0 HA LYS A 12 -6.624 4.655 8.265 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -8.095 2.988 7.027 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -6.706 1.921 6.950 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -6.631 2.429 9.603 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -8.334 2.754 9.346 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -6.885 0.168 8.612 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -7.950 0.386 9.986 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -9.857 0.854 8.445 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -8.795 0.668 7.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -10.024 -1.345 7.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -8.363 -1.612 7.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -9.392 -1.431 9.076 1.00 0.00 H new ATOM 204 N TYR A 13 -4.092 2.802 7.123 1.00 0.00 N ATOM 205 CA TYR A 13 -2.743 2.398 7.482 1.00 0.00 C ATOM 206 C TYR A 13 -1.788 3.588 7.437 1.00 0.00 C ATOM 207 O TYR A 13 -1.022 3.770 8.375 1.00 0.00 O ATOM 208 CB TYR A 13 -2.285 1.186 6.674 1.00 0.00 C ATOM 209 CG TYR A 13 -2.919 -0.095 7.185 1.00 0.00 C ATOM 210 CD1 TYR A 13 -4.238 -0.409 6.817 1.00 0.00 C ATOM 211 CD2 TYR A 13 -2.223 -0.938 8.075 1.00 0.00 C ATOM 212 CE1 TYR A 13 -4.859 -1.560 7.322 1.00 0.00 C ATOM 213 CE2 TYR A 13 -2.874 -2.051 8.637 1.00 0.00 C ATOM 214 CZ TYR A 13 -4.192 -2.358 8.262 1.00 0.00 C ATOM 215 OH TYR A 13 -4.833 -3.425 8.807 1.00 0.00 O ATOM 0 H TYR A 13 -4.412 2.483 6.209 1.00 0.00 H new ATOM 0 HA TYR A 13 -2.740 2.059 8.518 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -2.544 1.328 5.625 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -1.199 1.102 6.726 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -4.776 0.240 6.142 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -1.193 -0.730 8.325 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -5.849 -1.831 6.987 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -2.360 -2.670 9.357 1.00 0.00 H new ATOM 0 HH TYR A 13 -4.181 -4.125 9.020 1.00 0.00 H new ATOM 225 N ALA A 14 -1.816 4.417 6.389 1.00 0.00 N ATOM 226 CA ALA A 14 -0.945 5.583 6.298 1.00 0.00 C ATOM 227 C ALA A 14 -1.007 6.455 7.562 1.00 0.00 C ATOM 228 O ALA A 14 -0.006 7.003 8.014 1.00 0.00 O ATOM 229 CB ALA A 14 -1.359 6.370 5.059 1.00 0.00 C ATOM 0 H ALA A 14 -2.438 4.297 5.590 1.00 0.00 H new ATOM 0 HA ALA A 14 0.092 5.259 6.215 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -0.726 7.252 4.960 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -1.248 5.742 4.175 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -2.400 6.679 5.155 1.00 0.00 H new ATOM 235 N ALA A 15 -2.199 6.579 8.148 1.00 0.00 N ATOM 236 CA ALA A 15 -2.439 7.380 9.337 1.00 0.00 C ATOM 237 C ALA A 15 -1.761 6.847 10.604 1.00 0.00 C ATOM 238 O ALA A 15 -1.739 7.569 11.596 1.00 0.00 O ATOM 239 CB ALA A 15 -3.948 7.510 9.555 1.00 0.00 C ATOM 0 H ALA A 15 -3.037 6.114 7.798 1.00 0.00 H new ATOM 0 HA ALA A 15 -1.986 8.355 9.156 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -4.137 8.110 10.445 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -4.400 7.994 8.689 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -4.383 6.519 9.686 1.00 0.00 H new ATOM 245 N LYS A 16 -1.225 5.620 10.617 1.00 0.00 N ATOM 246 CA LYS A 16 -0.603 5.073 11.820 1.00 0.00 C ATOM 247 C LYS A 16 0.568 5.942 12.296 1.00 0.00 C ATOM 248 O LYS A 16 0.549 6.439 13.419 1.00 0.00 O ATOM 249 CB LYS A 16 -0.199 3.601 11.611 1.00 0.00 C ATOM 250 CG LYS A 16 -0.757 2.669 12.695 1.00 0.00 C ATOM 251 CD LYS A 16 -2.289 2.527 12.700 1.00 0.00 C ATOM 252 CE LYS A 16 -2.826 2.089 11.336 1.00 0.00 C ATOM 253 NZ LYS A 16 -4.265 1.780 11.390 1.00 0.00 N ATOM 0 H LYS A 16 -1.211 4.994 9.812 1.00 0.00 H new ATOM 0 HA LYS A 16 -1.343 5.091 12.620 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -0.552 3.268 10.635 1.00 0.00 H new ATOM 0 HB3 LYS A 16 0.888 3.526 11.599 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -0.315 1.681 12.567 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -0.437 3.037 13.670 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -2.584 1.800 13.457 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -2.741 3.479 12.979 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -2.651 2.879 10.605 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -2.278 1.211 10.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -4.413 0.776 11.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -4.627 1.976 12.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -4.773 2.370 10.700 1.00 0.00 H new ATOM 267 N GLU A 17 1.588 6.119 11.451 1.00 0.00 N ATOM 268 CA GLU A 17 2.761 6.929 11.758 1.00 0.00 C ATOM 269 C GLU A 17 3.215 7.753 10.552 1.00 0.00 C ATOM 270 O GLU A 17 3.427 8.956 10.665 1.00 0.00 O ATOM 271 CB GLU A 17 3.940 6.057 12.228 1.00 0.00 C ATOM 272 CG GLU A 17 3.691 5.284 13.534 1.00 0.00 C ATOM 273 CD GLU A 17 2.984 3.946 13.330 1.00 0.00 C ATOM 274 OE1 GLU A 17 3.377 3.227 12.385 1.00 0.00 O ATOM 275 OE2 GLU A 17 2.076 3.652 14.136 1.00 0.00 O ATOM 0 H GLU A 17 1.618 5.696 10.523 1.00 0.00 H new ATOM 0 HA GLU A 17 2.463 7.603 12.561 1.00 0.00 H new ATOM 0 HB2 GLU A 17 4.182 5.343 11.441 1.00 0.00 H new ATOM 0 HB3 GLU A 17 4.814 6.694 12.361 1.00 0.00 H new ATOM 0 HG2 GLU A 17 4.646 5.109 14.030 1.00 0.00 H new ATOM 0 HG3 GLU A 17 3.093 5.902 14.204 1.00 0.00 H new ATOM 282 N GLY A 18 3.390 7.116 9.394 1.00 0.00 N ATOM 283 CA GLY A 18 3.943 7.749 8.201 1.00 0.00 C ATOM 284 C GLY A 18 3.078 8.791 7.487 1.00 0.00 C ATOM 285 O GLY A 18 3.202 8.898 6.274 1.00 0.00 O ATOM 0 H GLY A 18 3.148 6.134 9.259 1.00 0.00 H new ATOM 0 HA2 GLY A 18 4.883 8.226 8.479 1.00 0.00 H new ATOM 0 HA3 GLY A 18 4.183 6.964 7.484 1.00 0.00 H new ATOM 289 N ASP A 19 2.257 9.566 8.205 1.00 0.00 N ATOM 290 CA ASP A 19 1.359 10.602 7.686 1.00 0.00 C ATOM 291 C ASP A 19 0.202 10.004 6.865 1.00 0.00 C ATOM 292 O ASP A 19 0.441 9.159 6.013 1.00 0.00 O ATOM 293 CB ASP A 19 2.133 11.660 6.881 1.00 0.00 C ATOM 294 CG ASP A 19 1.217 12.766 6.369 1.00 0.00 C ATOM 295 OD1 ASP A 19 0.501 12.498 5.378 1.00 0.00 O ATOM 296 OD2 ASP A 19 1.226 13.849 6.991 1.00 0.00 O ATOM 0 H ASP A 19 2.199 9.482 9.220 1.00 0.00 H new ATOM 0 HA ASP A 19 0.913 11.101 8.546 1.00 0.00 H new ATOM 0 HB2 ASP A 19 2.912 12.095 7.507 1.00 0.00 H new ATOM 0 HB3 ASP A 19 2.631 11.182 6.038 1.00 0.00 H new ATOM 301 N PRO A 20 -1.060 10.428 7.073 1.00 0.00 N ATOM 302 CA PRO A 20 -2.219 9.885 6.366 1.00 0.00 C ATOM 303 C PRO A 20 -2.111 9.811 4.837 1.00 0.00 C ATOM 304 O PRO A 20 -2.850 9.040 4.230 1.00 0.00 O ATOM 305 CB PRO A 20 -3.432 10.702 6.827 1.00 0.00 C ATOM 306 CG PRO A 20 -2.825 11.954 7.456 1.00 0.00 C ATOM 307 CD PRO A 20 -1.496 11.449 8.013 1.00 0.00 C ATOM 0 HA PRO A 20 -2.308 8.831 6.627 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -4.084 10.953 5.990 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -4.035 10.148 7.546 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -2.680 12.745 6.721 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -3.463 12.361 8.241 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -0.767 12.256 8.087 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -1.618 11.037 9.015 1.00 0.00 H new ATOM 315 N ASN A 21 -1.226 10.577 4.191 1.00 0.00 N ATOM 316 CA ASN A 21 -1.059 10.539 2.750 1.00 0.00 C ATOM 317 C ASN A 21 0.015 9.529 2.313 1.00 0.00 C ATOM 318 O ASN A 21 0.028 9.149 1.143 1.00 0.00 O ATOM 319 CB ASN A 21 -0.727 11.955 2.279 1.00 0.00 C ATOM 320 CG ASN A 21 -0.523 11.994 0.775 1.00 0.00 C ATOM 321 OD1 ASN A 21 -1.466 11.950 -0.003 1.00 0.00 O ATOM 322 ND2 ASN A 21 0.718 12.076 0.334 1.00 0.00 N ATOM 0 H ASN A 21 -0.608 11.239 4.661 1.00 0.00 H new ATOM 0 HA ASN A 21 -1.985 10.197 2.287 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -1.533 12.633 2.558 1.00 0.00 H new ATOM 0 HB3 ASN A 21 0.174 12.307 2.781 1.00 0.00 H new ATOM 0 HD21 ASN A 21 0.902 12.104 -0.669 1.00 0.00 H new ATOM 0 HD22 ASN A 21 1.493 12.112 0.996 1.00 0.00 H new ATOM 329 N GLN A 22 0.907 9.085 3.212 1.00 0.00 N ATOM 330 CA GLN A 22 1.994 8.167 2.876 1.00 0.00 C ATOM 331 C GLN A 22 2.018 6.874 3.708 1.00 0.00 C ATOM 332 O GLN A 22 1.709 6.854 4.889 1.00 0.00 O ATOM 333 CB GLN A 22 3.361 8.854 3.019 1.00 0.00 C ATOM 334 CG GLN A 22 3.840 9.744 1.863 1.00 0.00 C ATOM 335 CD GLN A 22 3.870 11.205 2.291 1.00 0.00 C ATOM 336 OE1 GLN A 22 2.978 11.980 1.977 1.00 0.00 O ATOM 337 NE2 GLN A 22 4.893 11.616 3.022 1.00 0.00 N ATOM 0 H GLN A 22 0.890 9.357 4.195 1.00 0.00 H new ATOM 0 HA GLN A 22 1.800 7.886 1.841 1.00 0.00 H new ATOM 0 HB2 GLN A 22 3.337 9.463 3.923 1.00 0.00 H new ATOM 0 HB3 GLN A 22 4.111 8.079 3.177 1.00 0.00 H new ATOM 0 HG2 GLN A 22 4.835 9.432 1.544 1.00 0.00 H new ATOM 0 HG3 GLN A 22 3.178 9.624 1.005 1.00 0.00 H new ATOM 0 HE21 GLN A 22 5.632 10.961 3.279 1.00 0.00 H new ATOM 0 HE22 GLN A 22 4.943 12.587 3.329 1.00 0.00 H new ATOM 346 N LEU A 23 2.427 5.777 3.068 1.00 0.00 N ATOM 347 CA LEU A 23 2.601 4.467 3.685 1.00 0.00 C ATOM 348 C LEU A 23 4.088 4.200 3.895 1.00 0.00 C ATOM 349 O LEU A 23 4.810 3.992 2.923 1.00 0.00 O ATOM 350 CB LEU A 23 2.044 3.391 2.751 1.00 0.00 C ATOM 351 CG LEU A 23 0.572 3.076 2.988 1.00 0.00 C ATOM 352 CD1 LEU A 23 0.127 2.082 1.908 1.00 0.00 C ATOM 353 CD2 LEU A 23 0.279 2.462 4.361 1.00 0.00 C ATOM 0 H LEU A 23 2.653 5.779 2.073 1.00 0.00 H new ATOM 0 HA LEU A 23 2.077 4.446 4.640 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.175 3.715 1.719 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.626 2.478 2.875 1.00 0.00 H new ATOM 0 HG LEU A 23 0.029 4.020 2.947 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.925 1.836 2.051 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.265 2.529 0.923 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.725 1.174 1.981 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.790 2.267 4.452 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.829 1.527 4.466 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.589 3.155 5.143 1.00 0.00 H new ATOM 365 N SER A 24 4.573 4.175 5.136 1.00 0.00 N ATOM 366 CA SER A 24 5.983 3.906 5.377 1.00 0.00 C ATOM 367 C SER A 24 6.208 2.400 5.203 1.00 0.00 C ATOM 368 O SER A 24 5.260 1.622 5.237 1.00 0.00 O ATOM 369 CB SER A 24 6.425 4.468 6.736 1.00 0.00 C ATOM 370 OG SER A 24 5.462 4.246 7.744 1.00 0.00 O ATOM 0 H SER A 24 4.017 4.336 5.976 1.00 0.00 H new ATOM 0 HA SER A 24 6.619 4.420 4.656 1.00 0.00 H new ATOM 0 HB2 SER A 24 7.368 4.006 7.029 1.00 0.00 H new ATOM 0 HB3 SER A 24 6.610 5.538 6.642 1.00 0.00 H new ATOM 0 HG SER A 24 5.784 4.618 8.592 1.00 0.00 H new ATOM 376 N LYS A 25 7.455 1.977 4.997 1.00 0.00 N ATOM 377 CA LYS A 25 7.820 0.580 4.782 1.00 0.00 C ATOM 378 C LYS A 25 7.122 -0.355 5.774 1.00 0.00 C ATOM 379 O LYS A 25 6.295 -1.185 5.396 1.00 0.00 O ATOM 380 CB LYS A 25 9.352 0.495 4.791 1.00 0.00 C ATOM 381 CG LYS A 25 9.861 -0.943 4.844 1.00 0.00 C ATOM 382 CD LYS A 25 11.355 -1.064 4.526 1.00 0.00 C ATOM 383 CE LYS A 25 12.273 -0.195 5.396 1.00 0.00 C ATOM 384 NZ LYS A 25 12.420 1.172 4.863 1.00 0.00 N ATOM 0 H LYS A 25 8.255 2.610 4.975 1.00 0.00 H new ATOM 0 HA LYS A 25 7.466 0.228 3.813 1.00 0.00 H new ATOM 0 HB2 LYS A 25 9.744 0.982 3.898 1.00 0.00 H new ATOM 0 HB3 LYS A 25 9.737 1.045 5.650 1.00 0.00 H new ATOM 0 HG2 LYS A 25 9.673 -1.352 5.836 1.00 0.00 H new ATOM 0 HG3 LYS A 25 9.295 -1.549 4.137 1.00 0.00 H new ATOM 0 HD2 LYS A 25 11.652 -2.107 4.638 1.00 0.00 H new ATOM 0 HD3 LYS A 25 11.512 -0.799 3.480 1.00 0.00 H new ATOM 0 HE2 LYS A 25 11.871 -0.147 6.408 1.00 0.00 H new ATOM 0 HE3 LYS A 25 13.255 -0.663 5.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 13.427 1.431 4.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 12.035 1.212 3.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 11.902 1.839 5.470 1.00 0.00 H new ATOM 398 N GLU A 26 7.449 -0.214 7.055 1.00 0.00 N ATOM 399 CA GLU A 26 6.828 -1.009 8.105 1.00 0.00 C ATOM 400 C GLU A 26 5.293 -0.888 8.078 1.00 0.00 C ATOM 401 O GLU A 26 4.593 -1.849 8.373 1.00 0.00 O ATOM 402 CB GLU A 26 7.423 -0.604 9.463 1.00 0.00 C ATOM 403 CG GLU A 26 6.968 -1.515 10.615 1.00 0.00 C ATOM 404 CD GLU A 26 7.300 -2.986 10.367 1.00 0.00 C ATOM 405 OE1 GLU A 26 8.495 -3.262 10.122 1.00 0.00 O ATOM 406 OE2 GLU A 26 6.358 -3.805 10.417 1.00 0.00 O ATOM 0 H GLU A 26 8.147 0.450 7.391 1.00 0.00 H new ATOM 0 HA GLU A 26 7.045 -2.063 7.933 1.00 0.00 H new ATOM 0 HB2 GLU A 26 8.511 -0.626 9.398 1.00 0.00 H new ATOM 0 HB3 GLU A 26 7.138 0.424 9.686 1.00 0.00 H new ATOM 0 HG2 GLU A 26 7.444 -1.190 11.540 1.00 0.00 H new ATOM 0 HG3 GLU A 26 5.892 -1.408 10.755 1.00 0.00 H new ATOM 413 N GLU A 27 4.750 0.277 7.717 1.00 0.00 N ATOM 414 CA GLU A 27 3.313 0.506 7.671 1.00 0.00 C ATOM 415 C GLU A 27 2.676 -0.353 6.575 1.00 0.00 C ATOM 416 O GLU A 27 1.642 -0.989 6.785 1.00 0.00 O ATOM 417 CB GLU A 27 3.105 2.008 7.460 1.00 0.00 C ATOM 418 CG GLU A 27 1.817 2.628 7.992 1.00 0.00 C ATOM 419 CD GLU A 27 2.024 4.141 8.077 1.00 0.00 C ATOM 420 OE1 GLU A 27 2.670 4.684 7.152 1.00 0.00 O ATOM 421 OE2 GLU A 27 1.643 4.720 9.112 1.00 0.00 O ATOM 0 H GLU A 27 5.303 1.090 7.447 1.00 0.00 H new ATOM 0 HA GLU A 27 2.822 0.210 8.598 1.00 0.00 H new ATOM 0 HB2 GLU A 27 3.944 2.530 7.920 1.00 0.00 H new ATOM 0 HB3 GLU A 27 3.155 2.206 6.389 1.00 0.00 H new ATOM 0 HG2 GLU A 27 0.980 2.394 7.334 1.00 0.00 H new ATOM 0 HG3 GLU A 27 1.574 2.220 8.973 1.00 0.00 H new ATOM 428 N LEU A 28 3.310 -0.388 5.399 1.00 0.00 N ATOM 429 CA LEU A 28 2.852 -1.200 4.286 1.00 0.00 C ATOM 430 C LEU A 28 2.780 -2.658 4.735 1.00 0.00 C ATOM 431 O LEU A 28 1.828 -3.356 4.405 1.00 0.00 O ATOM 432 CB LEU A 28 3.823 -1.042 3.107 1.00 0.00 C ATOM 433 CG LEU A 28 3.420 -1.840 1.854 1.00 0.00 C ATOM 434 CD1 LEU A 28 2.153 -1.283 1.195 1.00 0.00 C ATOM 435 CD2 LEU A 28 4.571 -1.819 0.846 1.00 0.00 C ATOM 0 H LEU A 28 4.154 0.149 5.200 1.00 0.00 H new ATOM 0 HA LEU A 28 1.862 -0.878 3.964 1.00 0.00 H new ATOM 0 HB2 LEU A 28 3.893 0.014 2.846 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.817 -1.359 3.423 1.00 0.00 H new ATOM 0 HG LEU A 28 3.206 -2.862 2.167 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.908 -1.879 0.315 1.00 0.00 H new ATOM 0 HD12 LEU A 28 1.326 -1.325 1.903 1.00 0.00 H new ATOM 0 HD13 LEU A 28 2.323 -0.248 0.897 1.00 0.00 H new ATOM 0 HD21 LEU A 28 4.287 -2.384 -0.042 1.00 0.00 H new ATOM 0 HD22 LEU A 28 4.791 -0.789 0.566 1.00 0.00 H new ATOM 0 HD23 LEU A 28 5.456 -2.270 1.295 1.00 0.00 H new ATOM 447 N LYS A 29 3.782 -3.119 5.491 1.00 0.00 N ATOM 448 CA LYS A 29 3.827 -4.502 5.960 1.00 0.00 C ATOM 449 C LYS A 29 2.504 -4.884 6.623 1.00 0.00 C ATOM 450 O LYS A 29 1.782 -5.744 6.124 1.00 0.00 O ATOM 451 CB LYS A 29 5.011 -4.714 6.911 1.00 0.00 C ATOM 452 CG LYS A 29 5.145 -6.167 7.375 1.00 0.00 C ATOM 453 CD LYS A 29 5.711 -7.054 6.261 1.00 0.00 C ATOM 454 CE LYS A 29 5.857 -8.510 6.709 1.00 0.00 C ATOM 455 NZ LYS A 29 6.537 -9.320 5.683 1.00 0.00 N ATOM 0 H LYS A 29 4.574 -2.550 5.790 1.00 0.00 H new ATOM 0 HA LYS A 29 3.973 -5.157 5.101 1.00 0.00 H new ATOM 0 HB2 LYS A 29 5.931 -4.410 6.412 1.00 0.00 H new ATOM 0 HB3 LYS A 29 4.892 -4.069 7.781 1.00 0.00 H new ATOM 0 HG2 LYS A 29 5.796 -6.214 8.248 1.00 0.00 H new ATOM 0 HG3 LYS A 29 4.170 -6.544 7.684 1.00 0.00 H new ATOM 0 HD2 LYS A 29 5.056 -7.006 5.391 1.00 0.00 H new ATOM 0 HD3 LYS A 29 6.683 -6.671 5.950 1.00 0.00 H new ATOM 0 HE2 LYS A 29 6.421 -8.551 7.641 1.00 0.00 H new ATOM 0 HE3 LYS A 29 4.872 -8.930 6.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 6.621 -10.302 6.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 5.985 -9.299 4.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 7.486 -8.932 5.507 1.00 0.00 H new ATOM 469 N LEU A 30 2.188 -4.245 7.753 1.00 0.00 N ATOM 470 CA LEU A 30 0.940 -4.454 8.472 1.00 0.00 C ATOM 471 C LEU A 30 -0.261 -4.403 7.518 1.00 0.00 C ATOM 472 O LEU A 30 -1.151 -5.249 7.602 1.00 0.00 O ATOM 473 CB LEU A 30 0.757 -3.485 9.656 1.00 0.00 C ATOM 474 CG LEU A 30 1.858 -2.463 9.969 1.00 0.00 C ATOM 475 CD1 LEU A 30 1.297 -1.364 10.880 1.00 0.00 C ATOM 476 CD2 LEU A 30 3.032 -3.138 10.687 1.00 0.00 C ATOM 0 H LEU A 30 2.803 -3.561 8.195 1.00 0.00 H new ATOM 0 HA LEU A 30 0.994 -5.454 8.903 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -0.166 -2.930 9.485 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.606 -4.088 10.552 1.00 0.00 H new ATOM 0 HG LEU A 30 2.206 -2.036 9.028 1.00 0.00 H new ATOM 0 HD11 LEU A 30 2.081 -0.639 11.101 1.00 0.00 H new ATOM 0 HD12 LEU A 30 0.470 -0.862 10.378 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.941 -1.808 11.810 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.802 -2.397 10.900 1.00 0.00 H new ATOM 0 HD22 LEU A 30 2.683 -3.578 11.621 1.00 0.00 H new ATOM 0 HD23 LEU A 30 3.447 -3.920 10.051 1.00 0.00 H new ATOM 488 N LEU A 31 -0.286 -3.422 6.611 1.00 0.00 N ATOM 489 CA LEU A 31 -1.357 -3.271 5.635 1.00 0.00 C ATOM 490 C LEU A 31 -1.562 -4.579 4.872 1.00 0.00 C ATOM 491 O LEU A 31 -2.627 -5.194 4.933 1.00 0.00 O ATOM 492 CB LEU A 31 -1.017 -2.126 4.667 1.00 0.00 C ATOM 493 CG LEU A 31 -2.230 -1.447 4.023 1.00 0.00 C ATOM 494 CD1 LEU A 31 -1.756 -0.509 2.925 1.00 0.00 C ATOM 495 CD2 LEU A 31 -3.280 -2.398 3.460 1.00 0.00 C ATOM 0 H LEU A 31 0.441 -2.710 6.537 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.285 -3.029 6.153 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.440 -1.374 5.205 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -0.375 -2.515 3.877 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.728 -0.907 4.829 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.617 -0.024 2.464 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -1.098 0.248 3.352 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -1.213 -1.078 2.170 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.097 -1.822 3.026 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.829 -3.024 2.690 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -3.666 -3.029 4.261 1.00 0.00 H new ATOM 507 N LEU A 32 -0.525 -5.004 4.153 1.00 0.00 N ATOM 508 CA LEU A 32 -0.582 -6.205 3.338 1.00 0.00 C ATOM 509 C LEU A 32 -0.920 -7.409 4.199 1.00 0.00 C ATOM 510 O LEU A 32 -1.755 -8.220 3.816 1.00 0.00 O ATOM 511 CB LEU A 32 0.728 -6.447 2.581 1.00 0.00 C ATOM 512 CG LEU A 32 1.166 -5.256 1.717 1.00 0.00 C ATOM 513 CD1 LEU A 32 2.522 -5.550 1.080 1.00 0.00 C ATOM 514 CD2 LEU A 32 0.145 -4.923 0.628 1.00 0.00 C ATOM 0 H LEU A 32 0.374 -4.523 4.122 1.00 0.00 H new ATOM 0 HA LEU A 32 -1.367 -6.060 2.596 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.516 -6.674 3.299 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.614 -7.325 1.945 1.00 0.00 H new ATOM 0 HG LEU A 32 1.241 -4.388 2.372 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.828 -4.702 0.468 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.262 -5.719 1.862 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.445 -6.439 0.455 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.500 -4.074 0.044 1.00 0.00 H new ATOM 0 HD22 LEU A 32 0.017 -5.785 -0.026 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.810 -4.672 1.089 1.00 0.00 H new ATOM 526 N GLN A 33 -0.287 -7.531 5.365 1.00 0.00 N ATOM 527 CA GLN A 33 -0.514 -8.629 6.268 1.00 0.00 C ATOM 528 C GLN A 33 -1.984 -8.717 6.676 1.00 0.00 C ATOM 529 O GLN A 33 -2.520 -9.817 6.779 1.00 0.00 O ATOM 530 CB GLN A 33 0.395 -8.428 7.475 1.00 0.00 C ATOM 531 CG GLN A 33 1.830 -8.901 7.211 1.00 0.00 C ATOM 532 CD GLN A 33 2.650 -8.979 8.495 1.00 0.00 C ATOM 533 OE1 GLN A 33 3.325 -9.964 8.756 1.00 0.00 O ATOM 534 NE2 GLN A 33 2.621 -7.949 9.328 1.00 0.00 N ATOM 0 H GLN A 33 0.402 -6.858 5.701 1.00 0.00 H new ATOM 0 HA GLN A 33 -0.279 -9.575 5.780 1.00 0.00 H new ATOM 0 HB2 GLN A 33 0.407 -7.372 7.745 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -0.013 -8.971 8.328 1.00 0.00 H new ATOM 0 HG2 GLN A 33 1.807 -9.881 6.735 1.00 0.00 H new ATOM 0 HG3 GLN A 33 2.314 -8.219 6.512 1.00 0.00 H new ATOM 0 HE21 GLN A 33 2.056 -7.129 9.106 1.00 0.00 H new ATOM 0 HE22 GLN A 33 3.163 -7.976 10.191 1.00 0.00 H new ATOM 543 N THR A 34 -2.642 -7.580 6.911 1.00 0.00 N ATOM 544 CA THR A 34 -4.044 -7.595 7.303 1.00 0.00 C ATOM 545 C THR A 34 -4.957 -7.870 6.104 1.00 0.00 C ATOM 546 O THR A 34 -5.869 -8.688 6.191 1.00 0.00 O ATOM 547 CB THR A 34 -4.455 -6.267 7.963 1.00 0.00 C ATOM 548 OG1 THR A 34 -3.502 -5.821 8.913 1.00 0.00 O ATOM 549 CG2 THR A 34 -5.802 -6.442 8.678 1.00 0.00 C ATOM 0 H THR A 34 -2.229 -6.650 6.837 1.00 0.00 H new ATOM 0 HA THR A 34 -4.160 -8.401 8.027 1.00 0.00 H new ATOM 0 HB THR A 34 -4.524 -5.523 7.169 1.00 0.00 H new ATOM 0 HG1 THR A 34 -2.710 -5.480 8.447 1.00 0.00 H new ATOM 0 HG21 THR A 34 -6.091 -5.500 9.145 1.00 0.00 H new ATOM 0 HG22 THR A 34 -6.562 -6.737 7.955 1.00 0.00 H new ATOM 0 HG23 THR A 34 -5.710 -7.213 9.443 1.00 0.00 H new ATOM 557 N GLU A 35 -4.739 -7.156 4.997 1.00 0.00 N ATOM 558 CA GLU A 35 -5.619 -7.209 3.838 1.00 0.00 C ATOM 559 C GLU A 35 -5.382 -8.379 2.885 1.00 0.00 C ATOM 560 O GLU A 35 -6.344 -9.010 2.454 1.00 0.00 O ATOM 561 CB GLU A 35 -5.542 -5.876 3.084 1.00 0.00 C ATOM 562 CG GLU A 35 -5.886 -4.677 3.979 1.00 0.00 C ATOM 563 CD GLU A 35 -7.287 -4.757 4.576 1.00 0.00 C ATOM 564 OE1 GLU A 35 -8.236 -4.913 3.778 1.00 0.00 O ATOM 565 OE2 GLU A 35 -7.382 -4.652 5.819 1.00 0.00 O ATOM 0 H GLU A 35 -3.945 -6.526 4.884 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.620 -7.382 4.233 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -4.538 -5.748 2.680 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -6.226 -5.901 2.236 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -5.157 -4.613 4.787 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -5.798 -3.760 3.397 1.00 0.00 H new ATOM 572 N PHE A 36 -4.134 -8.670 2.517 1.00 0.00 N ATOM 573 CA PHE A 36 -3.874 -9.722 1.544 1.00 0.00 C ATOM 574 C PHE A 36 -2.387 -10.100 1.644 1.00 0.00 C ATOM 575 O PHE A 36 -1.588 -9.656 0.816 1.00 0.00 O ATOM 576 CB PHE A 36 -4.206 -9.221 0.121 1.00 0.00 C ATOM 577 CG PHE A 36 -4.406 -7.722 -0.057 1.00 0.00 C ATOM 578 CD1 PHE A 36 -3.278 -6.889 0.019 1.00 0.00 C ATOM 579 CD2 PHE A 36 -5.665 -7.161 -0.356 1.00 0.00 C ATOM 580 CE1 PHE A 36 -3.385 -5.520 -0.265 1.00 0.00 C ATOM 581 CE2 PHE A 36 -5.779 -5.780 -0.600 1.00 0.00 C ATOM 582 CZ PHE A 36 -4.637 -4.961 -0.571 1.00 0.00 C ATOM 0 H PHE A 36 -3.302 -8.199 2.873 1.00 0.00 H new ATOM 0 HA PHE A 36 -4.498 -10.592 1.748 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -3.403 -9.537 -0.545 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -5.113 -9.725 -0.212 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -2.321 -7.306 0.298 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -6.541 -7.791 -0.398 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -2.504 -4.895 -0.248 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -6.746 -5.348 -0.810 1.00 0.00 H new ATOM 0 HZ PHE A 36 -4.722 -3.905 -0.783 1.00 0.00 H new ATOM 592 N PRO A 37 -1.982 -10.915 2.633 1.00 0.00 N ATOM 593 CA PRO A 37 -0.591 -11.321 2.803 1.00 0.00 C ATOM 594 C PRO A 37 -0.008 -11.907 1.513 1.00 0.00 C ATOM 595 O PRO A 37 1.179 -11.755 1.243 1.00 0.00 O ATOM 596 CB PRO A 37 -0.570 -12.310 3.973 1.00 0.00 C ATOM 597 CG PRO A 37 -2.031 -12.730 4.147 1.00 0.00 C ATOM 598 CD PRO A 37 -2.809 -11.505 3.672 1.00 0.00 C ATOM 0 HA PRO A 37 0.047 -10.466 3.025 1.00 0.00 H new ATOM 0 HB2 PRO A 37 0.066 -13.168 3.756 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -0.180 -11.845 4.879 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -2.269 -13.613 3.553 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -2.259 -12.973 5.185 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -3.789 -11.785 3.285 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -2.977 -10.803 4.489 1.00 0.00 H new ATOM 702 N THR A 45 10.709 -9.725 -0.627 1.00 0.00 N ATOM 703 CA THR A 45 11.062 -8.944 0.549 1.00 0.00 C ATOM 704 C THR A 45 10.262 -7.643 0.564 1.00 0.00 C ATOM 705 O THR A 45 10.043 -7.009 -0.470 1.00 0.00 O ATOM 706 CB THR A 45 12.568 -8.683 0.670 1.00 0.00 C ATOM 707 OG1 THR A 45 12.976 -7.766 -0.309 1.00 0.00 O ATOM 708 CG2 THR A 45 13.390 -9.971 0.559 1.00 0.00 C ATOM 0 HA THR A 45 10.799 -9.536 1.426 1.00 0.00 H new ATOM 0 HB THR A 45 12.748 -8.267 1.661 1.00 0.00 H new ATOM 0 HG1 THR A 45 12.513 -7.958 -1.151 1.00 0.00 H new ATOM 0 HG21 THR A 45 14.450 -9.735 0.651 1.00 0.00 H new ATOM 0 HG22 THR A 45 13.101 -10.657 1.355 1.00 0.00 H new ATOM 0 HG23 THR A 45 13.205 -10.439 -0.408 1.00 0.00 H new ATOM 716 N LEU A 46 9.848 -7.236 1.765 1.00 0.00 N ATOM 717 CA LEU A 46 9.125 -5.997 1.993 1.00 0.00 C ATOM 718 C LEU A 46 9.844 -4.841 1.302 1.00 0.00 C ATOM 719 O LEU A 46 9.204 -3.969 0.730 1.00 0.00 O ATOM 720 CB LEU A 46 9.075 -5.737 3.504 1.00 0.00 C ATOM 721 CG LEU A 46 8.362 -4.428 3.889 1.00 0.00 C ATOM 722 CD1 LEU A 46 6.868 -4.464 3.544 1.00 0.00 C ATOM 723 CD2 LEU A 46 8.573 -4.167 5.385 1.00 0.00 C ATOM 0 H LEU A 46 10.012 -7.772 2.617 1.00 0.00 H new ATOM 0 HA LEU A 46 8.116 -6.076 1.588 1.00 0.00 H new ATOM 0 HB2 LEU A 46 8.569 -6.571 3.990 1.00 0.00 H new ATOM 0 HB3 LEU A 46 10.093 -5.712 3.892 1.00 0.00 H new ATOM 0 HG LEU A 46 8.795 -3.613 3.309 1.00 0.00 H new ATOM 0 HD11 LEU A 46 6.405 -3.520 3.833 1.00 0.00 H new ATOM 0 HD12 LEU A 46 6.746 -4.615 2.471 1.00 0.00 H new ATOM 0 HD13 LEU A 46 6.390 -5.282 4.082 1.00 0.00 H new ATOM 0 HD21 LEU A 46 8.071 -3.241 5.667 1.00 0.00 H new ATOM 0 HD22 LEU A 46 8.158 -4.995 5.961 1.00 0.00 H new ATOM 0 HD23 LEU A 46 9.640 -4.079 5.592 1.00 0.00 H new ATOM 735 N ASP A 47 11.177 -4.851 1.369 1.00 0.00 N ATOM 736 CA ASP A 47 12.056 -3.838 0.834 1.00 0.00 C ATOM 737 C ASP A 47 11.831 -3.756 -0.661 1.00 0.00 C ATOM 738 O ASP A 47 11.485 -2.696 -1.152 1.00 0.00 O ATOM 739 CB ASP A 47 13.515 -4.165 1.176 1.00 0.00 C ATOM 740 CG ASP A 47 13.719 -4.248 2.684 1.00 0.00 C ATOM 741 OD1 ASP A 47 13.489 -5.356 3.217 1.00 0.00 O ATOM 742 OD2 ASP A 47 14.062 -3.203 3.277 1.00 0.00 O ATOM 0 H ASP A 47 11.687 -5.609 1.823 1.00 0.00 H new ATOM 0 HA ASP A 47 11.837 -2.867 1.278 1.00 0.00 H new ATOM 0 HB2 ASP A 47 13.797 -5.112 0.715 1.00 0.00 H new ATOM 0 HB3 ASP A 47 14.170 -3.400 0.759 1.00 0.00 H new ATOM 747 N GLU A 48 12.006 -4.863 -1.382 1.00 0.00 N ATOM 748 CA GLU A 48 11.802 -4.904 -2.824 1.00 0.00 C ATOM 749 C GLU A 48 10.438 -4.319 -3.192 1.00 0.00 C ATOM 750 O GLU A 48 10.327 -3.430 -4.035 1.00 0.00 O ATOM 751 CB GLU A 48 11.882 -6.361 -3.289 1.00 0.00 C ATOM 752 CG GLU A 48 13.319 -6.885 -3.224 1.00 0.00 C ATOM 753 CD GLU A 48 13.350 -8.395 -3.453 1.00 0.00 C ATOM 754 OE1 GLU A 48 12.632 -9.091 -2.697 1.00 0.00 O ATOM 755 OE2 GLU A 48 14.078 -8.827 -4.373 1.00 0.00 O ATOM 0 H GLU A 48 12.293 -5.755 -0.980 1.00 0.00 H new ATOM 0 HA GLU A 48 12.572 -4.309 -3.314 1.00 0.00 H new ATOM 0 HB2 GLU A 48 11.238 -6.980 -2.665 1.00 0.00 H new ATOM 0 HB3 GLU A 48 11.509 -6.441 -4.310 1.00 0.00 H new ATOM 0 HG2 GLU A 48 13.929 -6.385 -3.976 1.00 0.00 H new ATOM 0 HG3 GLU A 48 13.754 -6.650 -2.253 1.00 0.00 H new ATOM 762 N LEU A 49 9.393 -4.835 -2.547 1.00 0.00 N ATOM 763 CA LEU A 49 8.029 -4.429 -2.816 1.00 0.00 C ATOM 764 C LEU A 49 7.822 -2.936 -2.569 1.00 0.00 C ATOM 765 O LEU A 49 7.479 -2.186 -3.482 1.00 0.00 O ATOM 766 CB LEU A 49 7.097 -5.322 -1.994 1.00 0.00 C ATOM 767 CG LEU A 49 5.628 -4.914 -2.088 1.00 0.00 C ATOM 768 CD1 LEU A 49 5.139 -4.806 -3.539 1.00 0.00 C ATOM 769 CD2 LEU A 49 4.782 -5.964 -1.365 1.00 0.00 C ATOM 0 H LEU A 49 9.477 -5.548 -1.822 1.00 0.00 H new ATOM 0 HA LEU A 49 7.794 -4.565 -3.872 1.00 0.00 H new ATOM 0 HB2 LEU A 49 7.202 -6.353 -2.332 1.00 0.00 H new ATOM 0 HB3 LEU A 49 7.408 -5.295 -0.950 1.00 0.00 H new ATOM 0 HG LEU A 49 5.527 -3.930 -1.630 1.00 0.00 H new ATOM 0 HD11 LEU A 49 4.089 -4.513 -3.548 1.00 0.00 H new ATOM 0 HD12 LEU A 49 5.729 -4.057 -4.067 1.00 0.00 H new ATOM 0 HD13 LEU A 49 5.251 -5.771 -4.033 1.00 0.00 H new ATOM 0 HD21 LEU A 49 3.730 -5.686 -1.423 1.00 0.00 H new ATOM 0 HD22 LEU A 49 4.928 -6.936 -1.836 1.00 0.00 H new ATOM 0 HD23 LEU A 49 5.085 -6.019 -0.319 1.00 0.00 H new ATOM 781 N PHE A 50 8.044 -2.492 -1.336 1.00 0.00 N ATOM 782 CA PHE A 50 7.927 -1.108 -0.941 1.00 0.00 C ATOM 783 C PHE A 50 8.791 -0.245 -1.847 1.00 0.00 C ATOM 784 O PHE A 50 8.385 0.851 -2.201 1.00 0.00 O ATOM 785 CB PHE A 50 8.417 -1.006 0.505 1.00 0.00 C ATOM 786 CG PHE A 50 8.841 0.373 0.930 1.00 0.00 C ATOM 787 CD1 PHE A 50 7.906 1.263 1.468 1.00 0.00 C ATOM 788 CD2 PHE A 50 10.185 0.755 0.783 1.00 0.00 C ATOM 789 CE1 PHE A 50 8.347 2.475 2.021 1.00 0.00 C ATOM 790 CE2 PHE A 50 10.629 1.970 1.334 1.00 0.00 C ATOM 791 CZ PHE A 50 9.718 2.792 2.024 1.00 0.00 C ATOM 0 H PHE A 50 8.317 -3.108 -0.570 1.00 0.00 H new ATOM 0 HA PHE A 50 6.896 -0.763 -1.021 1.00 0.00 H new ATOM 0 HB2 PHE A 50 7.622 -1.347 1.168 1.00 0.00 H new ATOM 0 HB3 PHE A 50 9.258 -1.687 0.638 1.00 0.00 H new ATOM 0 HD1 PHE A 50 6.854 1.020 1.458 1.00 0.00 H new ATOM 0 HD2 PHE A 50 10.874 0.118 0.249 1.00 0.00 H new ATOM 0 HE1 PHE A 50 7.633 3.166 2.445 1.00 0.00 H new ATOM 0 HE2 PHE A 50 11.661 2.270 1.229 1.00 0.00 H new ATOM 0 HZ PHE A 50 10.071 3.664 2.555 1.00 0.00 H new ATOM 801 N GLU A 51 9.980 -0.716 -2.222 1.00 0.00 N ATOM 802 CA GLU A 51 10.865 0.087 -3.053 1.00 0.00 C ATOM 803 C GLU A 51 10.281 0.253 -4.452 1.00 0.00 C ATOM 804 O GLU A 51 10.364 1.338 -5.015 1.00 0.00 O ATOM 805 CB GLU A 51 12.295 -0.467 -3.049 1.00 0.00 C ATOM 806 CG GLU A 51 13.308 0.638 -3.354 1.00 0.00 C ATOM 807 CD GLU A 51 14.725 0.080 -3.440 1.00 0.00 C ATOM 808 OE1 GLU A 51 15.218 -0.378 -2.386 1.00 0.00 O ATOM 809 OE2 GLU A 51 15.284 0.109 -4.557 1.00 0.00 O ATOM 0 H GLU A 51 10.345 -1.634 -1.967 1.00 0.00 H new ATOM 0 HA GLU A 51 10.938 1.087 -2.625 1.00 0.00 H new ATOM 0 HB2 GLU A 51 12.515 -0.910 -2.078 1.00 0.00 H new ATOM 0 HB3 GLU A 51 12.384 -1.262 -3.789 1.00 0.00 H new ATOM 0 HG2 GLU A 51 13.048 1.124 -4.295 1.00 0.00 H new ATOM 0 HG3 GLU A 51 13.262 1.402 -2.578 1.00 0.00 H new ATOM 816 N GLU A 52 9.667 -0.793 -5.013 1.00 0.00 N ATOM 817 CA GLU A 52 9.015 -0.667 -6.311 1.00 0.00 C ATOM 818 C GLU A 52 7.898 0.368 -6.162 1.00 0.00 C ATOM 819 O GLU A 52 7.722 1.261 -6.985 1.00 0.00 O ATOM 820 CB GLU A 52 8.448 -2.035 -6.729 1.00 0.00 C ATOM 821 CG GLU A 52 7.399 -1.950 -7.852 1.00 0.00 C ATOM 822 CD GLU A 52 7.943 -1.355 -9.149 1.00 0.00 C ATOM 823 OE1 GLU A 52 9.136 -1.591 -9.434 1.00 0.00 O ATOM 824 OE2 GLU A 52 7.143 -0.694 -9.846 1.00 0.00 O ATOM 0 H GLU A 52 9.610 -1.721 -4.593 1.00 0.00 H new ATOM 0 HA GLU A 52 9.716 -0.345 -7.081 1.00 0.00 H new ATOM 0 HB2 GLU A 52 9.268 -2.674 -7.057 1.00 0.00 H new ATOM 0 HB3 GLU A 52 7.999 -2.514 -5.859 1.00 0.00 H new ATOM 0 HG2 GLU A 52 7.012 -2.949 -8.054 1.00 0.00 H new ATOM 0 HG3 GLU A 52 6.559 -1.346 -7.509 1.00 0.00 H new ATOM 831 N LEU A 53 7.131 0.203 -5.090 1.00 0.00 N ATOM 832 CA LEU A 53 5.990 1.026 -4.750 1.00 0.00 C ATOM 833 C LEU A 53 6.339 2.488 -4.433 1.00 0.00 C ATOM 834 O LEU A 53 5.550 3.376 -4.735 1.00 0.00 O ATOM 835 CB LEU A 53 5.296 0.358 -3.555 1.00 0.00 C ATOM 836 CG LEU A 53 4.300 -0.723 -3.988 1.00 0.00 C ATOM 837 CD1 LEU A 53 3.979 -1.578 -2.763 1.00 0.00 C ATOM 838 CD2 LEU A 53 3.002 -0.128 -4.551 1.00 0.00 C ATOM 0 H LEU A 53 7.299 -0.539 -4.411 1.00 0.00 H new ATOM 0 HA LEU A 53 5.336 1.086 -5.620 1.00 0.00 H new ATOM 0 HB2 LEU A 53 6.048 -0.085 -2.903 1.00 0.00 H new ATOM 0 HB3 LEU A 53 4.774 1.116 -2.971 1.00 0.00 H new ATOM 0 HG LEU A 53 4.750 -1.315 -4.784 1.00 0.00 H new ATOM 0 HD11 LEU A 53 3.270 -2.359 -3.040 1.00 0.00 H new ATOM 0 HD12 LEU A 53 4.895 -2.035 -2.388 1.00 0.00 H new ATOM 0 HD13 LEU A 53 3.542 -0.951 -1.986 1.00 0.00 H new ATOM 0 HD21 LEU A 53 2.329 -0.934 -4.844 1.00 0.00 H new ATOM 0 HD22 LEU A 53 2.523 0.486 -3.789 1.00 0.00 H new ATOM 0 HD23 LEU A 53 3.231 0.487 -5.421 1.00 0.00 H new ATOM 850 N ASP A 54 7.485 2.756 -3.806 1.00 0.00 N ATOM 851 CA ASP A 54 7.920 4.081 -3.394 1.00 0.00 C ATOM 852 C ASP A 54 8.819 4.672 -4.474 1.00 0.00 C ATOM 853 O ASP A 54 9.977 4.291 -4.574 1.00 0.00 O ATOM 854 CB ASP A 54 8.673 3.967 -2.052 1.00 0.00 C ATOM 855 CG ASP A 54 9.290 5.280 -1.558 1.00 0.00 C ATOM 856 OD1 ASP A 54 9.180 6.299 -2.277 1.00 0.00 O ATOM 857 OD2 ASP A 54 9.909 5.232 -0.473 1.00 0.00 O ATOM 0 H ASP A 54 8.156 2.027 -3.565 1.00 0.00 H new ATOM 0 HA ASP A 54 7.062 4.739 -3.259 1.00 0.00 H new ATOM 0 HB2 ASP A 54 7.984 3.596 -1.293 1.00 0.00 H new ATOM 0 HB3 ASP A 54 9.464 3.224 -2.155 1.00 0.00 H new ATOM 862 N LYS A 55 8.310 5.625 -5.255 1.00 0.00 N ATOM 863 CA LYS A 55 9.068 6.332 -6.288 1.00 0.00 C ATOM 864 C LYS A 55 10.458 6.796 -5.819 1.00 0.00 C ATOM 865 O LYS A 55 11.408 6.799 -6.596 1.00 0.00 O ATOM 866 CB LYS A 55 8.250 7.524 -6.816 1.00 0.00 C ATOM 867 CG LYS A 55 7.928 8.576 -5.737 1.00 0.00 C ATOM 868 CD LYS A 55 7.201 9.801 -6.306 1.00 0.00 C ATOM 869 CE LYS A 55 5.769 9.493 -6.749 1.00 0.00 C ATOM 870 NZ LYS A 55 5.088 10.717 -7.202 1.00 0.00 N ATOM 0 H LYS A 55 7.340 5.933 -5.186 1.00 0.00 H new ATOM 0 HA LYS A 55 9.244 5.618 -7.092 1.00 0.00 H new ATOM 0 HB2 LYS A 55 8.801 8.003 -7.625 1.00 0.00 H new ATOM 0 HB3 LYS A 55 7.317 7.154 -7.241 1.00 0.00 H new ATOM 0 HG2 LYS A 55 7.312 8.120 -4.962 1.00 0.00 H new ATOM 0 HG3 LYS A 55 8.854 8.897 -5.260 1.00 0.00 H new ATOM 0 HD2 LYS A 55 7.181 10.588 -5.552 1.00 0.00 H new ATOM 0 HD3 LYS A 55 7.763 10.188 -7.156 1.00 0.00 H new ATOM 0 HE2 LYS A 55 5.783 8.759 -7.555 1.00 0.00 H new ATOM 0 HE3 LYS A 55 5.215 9.048 -5.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 4.108 10.491 -7.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 5.087 11.418 -6.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 5.587 11.107 -8.027 1.00 0.00 H new ATOM 884 N ASN A 56 10.576 7.201 -4.550 1.00 0.00 N ATOM 885 CA ASN A 56 11.810 7.694 -3.941 1.00 0.00 C ATOM 886 C ASN A 56 12.616 6.550 -3.305 1.00 0.00 C ATOM 887 O ASN A 56 13.792 6.718 -2.999 1.00 0.00 O ATOM 888 CB ASN A 56 11.464 8.825 -2.952 1.00 0.00 C ATOM 889 CG ASN A 56 12.029 8.602 -1.554 1.00 0.00 C ATOM 890 OD1 ASN A 56 11.498 7.816 -0.783 1.00 0.00 O ATOM 891 ND2 ASN A 56 13.104 9.283 -1.193 1.00 0.00 N ATOM 0 H ASN A 56 9.789 7.193 -3.901 1.00 0.00 H new ATOM 0 HA ASN A 56 12.463 8.111 -4.707 1.00 0.00 H new ATOM 0 HB2 ASN A 56 11.845 9.768 -3.343 1.00 0.00 H new ATOM 0 HB3 ASN A 56 10.380 8.921 -2.887 1.00 0.00 H new ATOM 0 HD21 ASN A 56 13.500 9.155 -0.262 1.00 0.00 H new ATOM 0 HD22 ASN A 56 13.537 9.936 -1.846 1.00 0.00 H new ATOM 898 N GLY A 57 11.985 5.393 -3.116 1.00 0.00 N ATOM 899 CA GLY A 57 12.544 4.184 -2.545 1.00 0.00 C ATOM 900 C GLY A 57 13.293 4.398 -1.237 1.00 0.00 C ATOM 901 O GLY A 57 14.415 3.915 -1.108 1.00 0.00 O ATOM 0 H GLY A 57 11.006 5.274 -3.377 1.00 0.00 H new ATOM 0 HA2 GLY A 57 11.738 3.469 -2.376 1.00 0.00 H new ATOM 0 HA3 GLY A 57 13.223 3.734 -3.269 1.00 0.00 H new ATOM 905 N ASP A 58 12.704 5.093 -0.254 1.00 0.00 N ATOM 906 CA ASP A 58 13.410 5.292 1.007 1.00 0.00 C ATOM 907 C ASP A 58 12.479 5.787 2.109 1.00 0.00 C ATOM 908 O ASP A 58 12.577 5.326 3.242 1.00 0.00 O ATOM 909 CB ASP A 58 14.634 6.219 0.815 1.00 0.00 C ATOM 910 CG ASP A 58 14.636 7.459 1.710 1.00 0.00 C ATOM 911 OD1 ASP A 58 15.185 7.351 2.827 1.00 0.00 O ATOM 912 OD2 ASP A 58 14.093 8.492 1.261 1.00 0.00 O ATOM 0 H ASP A 58 11.775 5.511 -0.307 1.00 0.00 H new ATOM 0 HA ASP A 58 13.784 4.322 1.335 1.00 0.00 H new ATOM 0 HB2 ASP A 58 15.541 5.646 1.007 1.00 0.00 H new ATOM 0 HB3 ASP A 58 14.673 6.538 -0.227 1.00 0.00 H new ATOM 917 N GLY A 59 11.591 6.727 1.788 1.00 0.00 N ATOM 918 CA GLY A 59 10.721 7.334 2.763 1.00 0.00 C ATOM 919 C GLY A 59 9.441 6.536 2.864 1.00 0.00 C ATOM 920 O GLY A 59 9.279 5.726 3.775 1.00 0.00 O ATOM 0 H GLY A 59 11.464 7.081 0.840 1.00 0.00 H new ATOM 0 HA2 GLY A 59 11.216 7.372 3.734 1.00 0.00 H new ATOM 0 HA3 GLY A 59 10.499 8.362 2.478 1.00 0.00 H new ATOM 924 N GLU A 60 8.522 6.776 1.926 1.00 0.00 N ATOM 925 CA GLU A 60 7.221 6.145 1.968 1.00 0.00 C ATOM 926 C GLU A 60 6.578 6.028 0.586 1.00 0.00 C ATOM 927 O GLU A 60 7.009 6.656 -0.375 1.00 0.00 O ATOM 928 CB GLU A 60 6.280 6.988 2.833 1.00 0.00 C ATOM 929 CG GLU A 60 6.723 7.475 4.223 1.00 0.00 C ATOM 930 CD GLU A 60 7.487 8.796 4.174 1.00 0.00 C ATOM 931 OE1 GLU A 60 6.892 9.776 3.672 1.00 0.00 O ATOM 932 OE2 GLU A 60 8.643 8.811 4.648 1.00 0.00 O ATOM 0 H GLU A 60 8.664 7.403 1.134 1.00 0.00 H new ATOM 0 HA GLU A 60 7.370 5.144 2.373 1.00 0.00 H new ATOM 0 HB2 GLU A 60 6.014 7.871 2.252 1.00 0.00 H new ATOM 0 HB3 GLU A 60 5.366 6.410 2.971 1.00 0.00 H new ATOM 0 HG2 GLU A 60 5.845 7.592 4.858 1.00 0.00 H new ATOM 0 HG3 GLU A 60 7.352 6.714 4.686 1.00 0.00 H new ATOM 939 N VAL A 61 5.503 5.245 0.537 1.00 0.00 N ATOM 940 CA VAL A 61 4.621 5.006 -0.595 1.00 0.00 C ATOM 941 C VAL A 61 3.473 6.004 -0.393 1.00 0.00 C ATOM 942 O VAL A 61 3.431 6.675 0.632 1.00 0.00 O ATOM 943 CB VAL A 61 4.146 3.532 -0.557 1.00 0.00 C ATOM 944 CG1 VAL A 61 3.187 3.160 -1.698 1.00 0.00 C ATOM 945 CG2 VAL A 61 5.352 2.588 -0.620 1.00 0.00 C ATOM 0 H VAL A 61 5.205 4.719 1.358 1.00 0.00 H new ATOM 0 HA VAL A 61 5.089 5.149 -1.569 1.00 0.00 H new ATOM 0 HB VAL A 61 3.602 3.423 0.381 1.00 0.00 H new ATOM 0 HG11 VAL A 61 2.898 2.113 -1.604 1.00 0.00 H new ATOM 0 HG12 VAL A 61 2.297 3.788 -1.645 1.00 0.00 H new ATOM 0 HG13 VAL A 61 3.684 3.315 -2.656 1.00 0.00 H new ATOM 0 HG21 VAL A 61 5.007 1.554 -0.593 1.00 0.00 H new ATOM 0 HG22 VAL A 61 5.903 2.762 -1.544 1.00 0.00 H new ATOM 0 HG23 VAL A 61 6.005 2.775 0.232 1.00 0.00 H new ATOM 955 N SER A 62 2.517 6.124 -1.311 1.00 0.00 N ATOM 956 CA SER A 62 1.363 7.005 -1.164 1.00 0.00 C ATOM 957 C SER A 62 0.231 6.426 -1.999 1.00 0.00 C ATOM 958 O SER A 62 0.495 5.596 -2.869 1.00 0.00 O ATOM 959 CB SER A 62 1.685 8.443 -1.583 1.00 0.00 C ATOM 960 OG SER A 62 1.988 8.485 -2.959 1.00 0.00 O ATOM 0 H SER A 62 2.523 5.605 -2.189 1.00 0.00 H new ATOM 0 HA SER A 62 1.071 7.057 -0.115 1.00 0.00 H new ATOM 0 HB2 SER A 62 0.836 9.092 -1.369 1.00 0.00 H new ATOM 0 HB3 SER A 62 2.528 8.820 -1.004 1.00 0.00 H new ATOM 0 HG SER A 62 2.191 9.407 -3.221 1.00 0.00 H new ATOM 966 N PHE A 63 -1.013 6.851 -1.748 1.00 0.00 N ATOM 967 CA PHE A 63 -2.167 6.370 -2.502 1.00 0.00 C ATOM 968 C PHE A 63 -1.887 6.454 -4.005 1.00 0.00 C ATOM 969 O PHE A 63 -2.209 5.533 -4.751 1.00 0.00 O ATOM 970 CB PHE A 63 -3.446 7.102 -2.095 1.00 0.00 C ATOM 971 CG PHE A 63 -4.652 6.725 -2.935 1.00 0.00 C ATOM 972 CD1 PHE A 63 -5.388 5.577 -2.595 1.00 0.00 C ATOM 973 CD2 PHE A 63 -4.916 7.382 -4.153 1.00 0.00 C ATOM 974 CE1 PHE A 63 -6.516 5.214 -3.356 1.00 0.00 C ATOM 975 CE2 PHE A 63 -5.947 6.918 -4.990 1.00 0.00 C ATOM 976 CZ PHE A 63 -6.823 5.919 -4.531 1.00 0.00 C ATOM 0 H PHE A 63 -1.242 7.531 -1.023 1.00 0.00 H new ATOM 0 HA PHE A 63 -2.333 5.320 -2.260 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -3.661 6.887 -1.048 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -3.281 8.177 -2.173 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -5.089 4.974 -1.751 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -4.328 8.240 -4.443 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -7.144 4.395 -3.037 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -6.065 7.328 -5.982 1.00 0.00 H new ATOM 0 HZ PHE A 63 -7.727 5.695 -5.079 1.00 0.00 H new ATOM 986 N GLU A 64 -1.262 7.557 -4.423 1.00 0.00 N ATOM 987 CA GLU A 64 -0.870 7.842 -5.794 1.00 0.00 C ATOM 988 C GLU A 64 -0.269 6.611 -6.478 1.00 0.00 C ATOM 989 O GLU A 64 -0.759 6.134 -7.497 1.00 0.00 O ATOM 990 CB GLU A 64 0.175 8.975 -5.775 1.00 0.00 C ATOM 991 CG GLU A 64 0.328 9.575 -7.178 1.00 0.00 C ATOM 992 CD GLU A 64 1.409 10.649 -7.216 1.00 0.00 C ATOM 993 OE1 GLU A 64 1.266 11.630 -6.454 1.00 0.00 O ATOM 994 OE2 GLU A 64 2.365 10.463 -8.000 1.00 0.00 O ATOM 0 H GLU A 64 -1.006 8.307 -3.781 1.00 0.00 H new ATOM 0 HA GLU A 64 -1.756 8.135 -6.357 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -0.130 9.749 -5.071 1.00 0.00 H new ATOM 0 HB3 GLU A 64 1.134 8.590 -5.429 1.00 0.00 H new ATOM 0 HG2 GLU A 64 0.575 8.785 -7.887 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -0.622 10.003 -7.496 1.00 0.00 H new ATOM 1001 N GLU A 65 0.818 6.114 -5.895 1.00 0.00 N ATOM 1002 CA GLU A 65 1.591 4.995 -6.414 1.00 0.00 C ATOM 1003 C GLU A 65 0.882 3.696 -6.055 1.00 0.00 C ATOM 1004 O GLU A 65 0.932 2.724 -6.804 1.00 0.00 O ATOM 1005 CB GLU A 65 3.044 5.020 -5.902 1.00 0.00 C ATOM 1006 CG GLU A 65 3.335 6.184 -4.945 1.00 0.00 C ATOM 1007 CD GLU A 65 4.806 6.388 -4.625 1.00 0.00 C ATOM 1008 OE1 GLU A 65 5.630 6.211 -5.545 1.00 0.00 O ATOM 1009 OE2 GLU A 65 5.073 6.783 -3.470 1.00 0.00 O ATOM 0 H GLU A 65 1.194 6.490 -5.025 1.00 0.00 H new ATOM 0 HA GLU A 65 1.654 5.075 -7.499 1.00 0.00 H new ATOM 0 HB2 GLU A 65 3.258 4.080 -5.394 1.00 0.00 H new ATOM 0 HB3 GLU A 65 3.720 5.083 -6.754 1.00 0.00 H new ATOM 0 HG2 GLU A 65 2.941 7.102 -5.381 1.00 0.00 H new ATOM 0 HG3 GLU A 65 2.794 6.015 -4.014 1.00 0.00 H new ATOM 1016 N PHE A 66 0.201 3.688 -4.907 1.00 0.00 N ATOM 1017 CA PHE A 66 -0.571 2.538 -4.452 1.00 0.00 C ATOM 1018 C PHE A 66 -1.556 2.075 -5.535 1.00 0.00 C ATOM 1019 O PHE A 66 -1.943 0.913 -5.551 1.00 0.00 O ATOM 1020 CB PHE A 66 -1.293 2.863 -3.144 1.00 0.00 C ATOM 1021 CG PHE A 66 -1.962 1.684 -2.476 1.00 0.00 C ATOM 1022 CD1 PHE A 66 -1.238 0.865 -1.593 1.00 0.00 C ATOM 1023 CD2 PHE A 66 -3.317 1.409 -2.742 1.00 0.00 C ATOM 1024 CE1 PHE A 66 -1.871 -0.219 -0.963 1.00 0.00 C ATOM 1025 CE2 PHE A 66 -3.926 0.281 -2.167 1.00 0.00 C ATOM 1026 CZ PHE A 66 -3.211 -0.519 -1.259 1.00 0.00 C ATOM 0 H PHE A 66 0.172 4.482 -4.268 1.00 0.00 H new ATOM 0 HA PHE A 66 0.117 1.714 -4.261 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -0.575 3.297 -2.448 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -2.046 3.626 -3.342 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -0.195 1.069 -1.399 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -3.886 2.063 -3.386 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -1.327 -0.822 -0.251 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -4.944 0.028 -2.423 1.00 0.00 H new ATOM 0 HZ PHE A 66 -3.692 -1.364 -0.789 1.00 0.00 H new ATOM 1036 N GLN A 67 -1.966 2.940 -6.469 1.00 0.00 N ATOM 1037 CA GLN A 67 -2.845 2.506 -7.551 1.00 0.00 C ATOM 1038 C GLN A 67 -2.227 1.356 -8.360 1.00 0.00 C ATOM 1039 O GLN A 67 -2.950 0.545 -8.934 1.00 0.00 O ATOM 1040 CB GLN A 67 -3.396 3.685 -8.369 1.00 0.00 C ATOM 1041 CG GLN A 67 -3.982 4.775 -7.470 1.00 0.00 C ATOM 1042 CD GLN A 67 -4.955 4.179 -6.465 1.00 0.00 C ATOM 1043 OE1 GLN A 67 -6.090 3.852 -6.783 1.00 0.00 O ATOM 1044 NE2 GLN A 67 -4.516 4.021 -5.229 1.00 0.00 N ATOM 0 H GLN A 67 -1.707 3.926 -6.496 1.00 0.00 H new ATOM 0 HA GLN A 67 -3.741 2.068 -7.110 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -2.599 4.108 -8.980 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -4.165 3.325 -9.053 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -3.178 5.290 -6.944 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -4.493 5.520 -8.080 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -3.566 4.301 -4.986 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -5.127 3.619 -4.518 1.00 0.00 H new ATOM 1053 N VAL A 68 -0.897 1.230 -8.371 1.00 0.00 N ATOM 1054 CA VAL A 68 -0.238 0.090 -8.995 1.00 0.00 C ATOM 1055 C VAL A 68 -0.667 -1.162 -8.212 1.00 0.00 C ATOM 1056 O VAL A 68 -1.006 -2.187 -8.794 1.00 0.00 O ATOM 1057 CB VAL A 68 1.289 0.287 -8.993 1.00 0.00 C ATOM 1058 CG1 VAL A 68 2.007 -0.943 -9.561 1.00 0.00 C ATOM 1059 CG2 VAL A 68 1.678 1.511 -9.833 1.00 0.00 C ATOM 0 H VAL A 68 -0.259 1.907 -7.953 1.00 0.00 H new ATOM 0 HA VAL A 68 -0.528 -0.017 -10.040 1.00 0.00 H new ATOM 0 HB VAL A 68 1.593 0.436 -7.957 1.00 0.00 H new ATOM 0 HG11 VAL A 68 3.084 -0.775 -9.547 1.00 0.00 H new ATOM 0 HG12 VAL A 68 1.768 -1.816 -8.954 1.00 0.00 H new ATOM 0 HG13 VAL A 68 1.680 -1.114 -10.587 1.00 0.00 H new ATOM 0 HG21 VAL A 68 2.761 1.633 -9.819 1.00 0.00 H new ATOM 0 HG22 VAL A 68 1.342 1.369 -10.860 1.00 0.00 H new ATOM 0 HG23 VAL A 68 1.207 2.402 -9.417 1.00 0.00 H new ATOM 1069 N LEU A 69 -0.691 -1.074 -6.879 1.00 0.00 N ATOM 1070 CA LEU A 69 -1.116 -2.149 -5.993 1.00 0.00 C ATOM 1071 C LEU A 69 -2.578 -2.467 -6.328 1.00 0.00 C ATOM 1072 O LEU A 69 -2.935 -3.628 -6.524 1.00 0.00 O ATOM 1073 CB LEU A 69 -0.904 -1.711 -4.530 1.00 0.00 C ATOM 1074 CG LEU A 69 -0.819 -2.824 -3.478 1.00 0.00 C ATOM 1075 CD1 LEU A 69 -2.140 -3.580 -3.351 1.00 0.00 C ATOM 1076 CD2 LEU A 69 0.345 -3.791 -3.726 1.00 0.00 C ATOM 0 H LEU A 69 -0.408 -0.231 -6.379 1.00 0.00 H new ATOM 0 HA LEU A 69 -0.531 -3.058 -6.129 1.00 0.00 H new ATOM 0 HB2 LEU A 69 0.015 -1.127 -4.481 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.721 -1.045 -4.254 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.619 -2.327 -2.529 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -2.041 -4.361 -2.597 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -2.929 -2.888 -3.056 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -2.394 -4.032 -4.310 1.00 0.00 H new ATOM 0 HD21 LEU A 69 0.354 -4.556 -2.950 1.00 0.00 H new ATOM 0 HD22 LEU A 69 0.224 -4.264 -4.701 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.286 -3.241 -3.704 1.00 0.00 H new ATOM 1088 N VAL A 70 -3.420 -1.430 -6.430 1.00 0.00 N ATOM 1089 CA VAL A 70 -4.822 -1.590 -6.818 1.00 0.00 C ATOM 1090 C VAL A 70 -4.895 -2.371 -8.138 1.00 0.00 C ATOM 1091 O VAL A 70 -5.713 -3.270 -8.288 1.00 0.00 O ATOM 1092 CB VAL A 70 -5.559 -0.241 -6.901 1.00 0.00 C ATOM 1093 CG1 VAL A 70 -7.025 -0.432 -7.316 1.00 0.00 C ATOM 1094 CG2 VAL A 70 -5.521 0.481 -5.549 1.00 0.00 C ATOM 0 H VAL A 70 -3.148 -0.464 -6.247 1.00 0.00 H new ATOM 0 HA VAL A 70 -5.337 -2.159 -6.044 1.00 0.00 H new ATOM 0 HB VAL A 70 -5.048 0.359 -7.654 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -7.518 0.539 -7.366 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -7.067 -0.911 -8.294 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -7.532 -1.060 -6.583 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -6.047 1.432 -5.630 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -6.003 -0.138 -4.792 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -4.485 0.663 -5.263 1.00 0.00 H new ATOM 1104 N LYS A 71 -4.035 -2.053 -9.106 1.00 0.00 N ATOM 1105 CA LYS A 71 -4.001 -2.784 -10.362 1.00 0.00 C ATOM 1106 C LYS A 71 -3.567 -4.241 -10.130 1.00 0.00 C ATOM 1107 O LYS A 71 -4.084 -5.145 -10.793 1.00 0.00 O ATOM 1108 CB LYS A 71 -3.101 -2.057 -11.372 1.00 0.00 C ATOM 1109 CG LYS A 71 -3.049 -2.792 -12.716 1.00 0.00 C ATOM 1110 CD LYS A 71 -2.250 -1.981 -13.742 1.00 0.00 C ATOM 1111 CE LYS A 71 -2.180 -2.737 -15.074 1.00 0.00 C ATOM 1112 NZ LYS A 71 -1.411 -1.984 -16.079 1.00 0.00 N ATOM 0 H LYS A 71 -3.356 -1.295 -9.040 1.00 0.00 H new ATOM 0 HA LYS A 71 -5.004 -2.818 -10.786 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -3.471 -1.043 -11.526 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -2.093 -1.970 -10.965 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -2.592 -3.773 -12.583 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -4.061 -2.959 -13.085 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -2.718 -1.008 -13.892 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -1.243 -1.796 -13.367 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -1.719 -3.712 -14.917 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -3.189 -2.917 -15.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -1.382 -2.522 -16.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -1.865 -1.063 -16.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -0.442 -1.834 -15.734 1.00 0.00 H new ATOM 1126 N LYS A 72 -2.615 -4.490 -9.220 1.00 0.00 N ATOM 1127 CA LYS A 72 -2.114 -5.806 -8.948 1.00 0.00 C ATOM 1128 C LYS A 72 -3.083 -6.731 -8.198 1.00 0.00 C ATOM 1129 O LYS A 72 -3.019 -7.942 -8.391 1.00 0.00 O ATOM 1130 CB LYS A 72 -0.765 -5.778 -8.262 1.00 0.00 C ATOM 1131 CG LYS A 72 0.311 -4.910 -8.931 1.00 0.00 C ATOM 1132 CD LYS A 72 1.615 -5.702 -9.078 1.00 0.00 C ATOM 1133 CE LYS A 72 2.738 -4.806 -9.608 1.00 0.00 C ATOM 1134 NZ LYS A 72 3.990 -5.563 -9.786 1.00 0.00 N ATOM 0 H LYS A 72 -2.179 -3.761 -8.656 1.00 0.00 H new ATOM 0 HA LYS A 72 -1.996 -6.245 -9.939 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -0.906 -5.424 -7.241 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -0.391 -6.800 -8.197 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -0.035 -4.580 -9.911 1.00 0.00 H new ATOM 0 HG3 LYS A 72 0.487 -4.013 -8.336 1.00 0.00 H new ATOM 0 HD2 LYS A 72 1.902 -6.121 -8.114 1.00 0.00 H new ATOM 0 HD3 LYS A 72 1.462 -6.541 -9.757 1.00 0.00 H new ATOM 0 HE2 LYS A 72 2.437 -4.368 -10.560 1.00 0.00 H new ATOM 0 HE3 LYS A 72 2.905 -3.981 -8.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 4.731 -4.928 -10.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 4.288 -5.961 -8.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 3.835 -6.335 -10.465 1.00 0.00 H new ATOM 1148 N ILE A 73 -3.982 -6.222 -7.347 1.00 0.00 N ATOM 1149 CA ILE A 73 -4.914 -7.127 -6.657 1.00 0.00 C ATOM 1150 C ILE A 73 -5.767 -7.862 -7.697 1.00 0.00 C ATOM 1151 O ILE A 73 -6.063 -9.043 -7.542 1.00 0.00 O ATOM 1152 CB ILE A 73 -5.783 -6.419 -5.605 1.00 0.00 C ATOM 1153 CG1 ILE A 73 -6.398 -5.135 -6.162 1.00 0.00 C ATOM 1154 CG2 ILE A 73 -4.958 -6.106 -4.353 1.00 0.00 C ATOM 1155 CD1 ILE A 73 -7.627 -4.681 -5.390 1.00 0.00 C ATOM 0 H ILE A 73 -4.085 -5.232 -7.124 1.00 0.00 H new ATOM 0 HA ILE A 73 -4.322 -7.850 -6.095 1.00 0.00 H new ATOM 0 HB ILE A 73 -6.595 -7.095 -5.337 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -5.650 -4.342 -6.142 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -6.669 -5.292 -7.206 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -5.588 -5.605 -3.618 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -4.574 -7.034 -3.929 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -4.124 -5.456 -4.620 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -8.017 -3.765 -5.834 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -8.390 -5.458 -5.431 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -7.355 -4.494 -4.351 1.00 0.00 H new ATOM 1167 N SER A 74 -6.123 -7.184 -8.789 1.00 0.00 N ATOM 1168 CA SER A 74 -6.849 -7.747 -9.917 1.00 0.00 C ATOM 1169 C SER A 74 -5.874 -8.438 -10.888 1.00 0.00 C ATOM 1170 O SER A 74 -6.208 -8.651 -12.049 1.00 0.00 O ATOM 1171 CB SER A 74 -7.581 -6.582 -10.600 1.00 0.00 C ATOM 1172 OG SER A 74 -6.805 -5.394 -10.526 1.00 0.00 O ATOM 0 H SER A 74 -5.904 -6.195 -8.912 1.00 0.00 H new ATOM 0 HA SER A 74 -7.562 -8.504 -9.591 1.00 0.00 H new ATOM 0 HB2 SER A 74 -7.778 -6.830 -11.643 1.00 0.00 H new ATOM 0 HB3 SER A 74 -8.548 -6.422 -10.122 1.00 0.00 H new ATOM 0 HG SER A 74 -5.868 -5.603 -10.721 1.00 0.00 H new ATOM 1178 N GLN A 75 -4.665 -8.766 -10.424 1.00 0.00 N ATOM 1179 CA GLN A 75 -3.577 -9.348 -11.195 1.00 0.00 C ATOM 1180 C GLN A 75 -3.065 -10.608 -10.504 1.00 0.00 C ATOM 1181 O GLN A 75 -2.004 -11.123 -10.854 1.00 0.00 O ATOM 1182 CB GLN A 75 -2.485 -8.268 -11.296 1.00 0.00 C ATOM 1183 CG GLN A 75 -1.870 -8.106 -12.688 1.00 0.00 C ATOM 1184 CD GLN A 75 -2.856 -7.527 -13.708 1.00 0.00 C ATOM 1185 OE1 GLN A 75 -2.930 -7.992 -14.836 1.00 0.00 O ATOM 1186 NE2 GLN A 75 -3.636 -6.507 -13.364 1.00 0.00 N ATOM 0 H GLN A 75 -4.411 -8.622 -9.447 1.00 0.00 H new ATOM 0 HA GLN A 75 -3.900 -9.648 -12.192 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -2.909 -7.312 -10.988 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -1.691 -8.507 -10.589 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -0.998 -7.455 -12.622 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -1.518 -9.076 -13.040 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -3.578 -6.115 -12.424 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -4.292 -6.116 -14.040 1.00 0.00 H new