USER MOD reduce.3.24.130724 H: found=0, std=0, add=410, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 411 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 -25:sc= 0.0883 USER MOD Set 1.2: A 52 THR OG1 : rot 180:sc= -0.0606 USER MOD Set 2.1: A 33 GLN : amide:sc= -2.37! K(o=-3.6!,f=0.72) USER MOD Set 2.2: A 36 ASN : amide:sc= -1.22! K(o=-3.6!,f=0.75) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 151:sc= 0 (180deg=-0.259) USER MOD Single : A 9 ASN : amide:sc= -0.133 K(o=-0.13,f=-1.5!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 91:sc= 1.24 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= 1.56 K(o=1.6,f=-0.048) USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.283 USER MOD Single : A 46 TYR OH : rot 173:sc= 1.22 USER MOD Single : A 51 LYS NZ :NH3+ -156:sc= 0.979 (180deg=0.596) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 18 N GLY A 2 -14.457 -0.398 -2.478 1.00 0.00 N ATOM 19 CA GLY A 2 -13.890 0.520 -3.437 1.00 0.00 C ATOM 20 C GLY A 2 -12.467 0.119 -3.751 1.00 0.00 C ATOM 21 O GLY A 2 -11.982 -0.955 -3.382 1.00 0.00 O ATOM 0 HA2 GLY A 2 -14.487 0.522 -4.349 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -13.912 1.535 -3.040 1.00 0.00 H new ATOM 25 N THR A 3 -11.836 0.957 -4.557 1.00 0.00 N ATOM 26 CA THR A 3 -10.480 0.746 -5.006 1.00 0.00 C ATOM 27 C THR A 3 -9.515 1.421 -4.050 1.00 0.00 C ATOM 28 O THR A 3 -9.764 2.530 -3.576 1.00 0.00 O ATOM 29 CB THR A 3 -10.356 1.296 -6.436 1.00 0.00 C ATOM 30 OG1 THR A 3 -11.446 0.806 -7.204 1.00 0.00 O ATOM 31 CG2 THR A 3 -9.059 0.872 -7.129 1.00 0.00 C ATOM 0 H THR A 3 -12.260 1.811 -4.919 1.00 0.00 H new ATOM 0 HA THR A 3 -10.231 -0.315 -5.018 1.00 0.00 H new ATOM 0 HB THR A 3 -10.355 2.384 -6.366 1.00 0.00 H new ATOM 0 HG1 THR A 3 -11.382 1.150 -8.119 1.00 0.00 H new ATOM 0 HG21 THR A 3 -9.030 1.291 -8.135 1.00 0.00 H new ATOM 0 HG22 THR A 3 -8.205 1.238 -6.559 1.00 0.00 H new ATOM 0 HG23 THR A 3 -9.017 -0.216 -7.188 1.00 0.00 H new ATOM 39 N TYR A 4 -8.407 0.746 -3.801 1.00 0.00 N ATOM 40 CA TYR A 4 -7.311 1.184 -2.969 1.00 0.00 C ATOM 41 C TYR A 4 -6.050 1.195 -3.842 1.00 0.00 C ATOM 42 O TYR A 4 -5.938 0.405 -4.786 1.00 0.00 O ATOM 43 CB TYR A 4 -7.192 0.233 -1.778 1.00 0.00 C ATOM 44 CG TYR A 4 -8.272 0.429 -0.740 1.00 0.00 C ATOM 45 CD1 TYR A 4 -8.095 1.391 0.271 1.00 0.00 C ATOM 46 CD2 TYR A 4 -9.428 -0.372 -0.763 1.00 0.00 C ATOM 47 CE1 TYR A 4 -9.040 1.508 1.304 1.00 0.00 C ATOM 48 CE2 TYR A 4 -10.373 -0.266 0.268 1.00 0.00 C ATOM 49 CZ TYR A 4 -10.174 0.666 1.311 1.00 0.00 C ATOM 50 OH TYR A 4 -11.100 0.790 2.298 1.00 0.00 O ATOM 0 H TYR A 4 -8.243 -0.178 -4.201 1.00 0.00 H new ATOM 0 HA TYR A 4 -7.465 2.186 -2.569 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -7.228 -0.795 -2.139 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -6.218 0.372 -1.308 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -7.232 2.040 0.253 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -9.588 -1.068 -1.573 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -8.900 2.237 2.088 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -11.251 -0.895 0.265 1.00 0.00 H new ATOM 0 HH TYR A 4 -11.818 0.138 2.157 1.00 0.00 H new ATOM 60 N LYS A 5 -5.075 2.043 -3.513 1.00 0.00 N ATOM 61 CA LYS A 5 -3.799 2.190 -4.214 1.00 0.00 C ATOM 62 C LYS A 5 -2.665 2.145 -3.208 1.00 0.00 C ATOM 63 O LYS A 5 -2.813 2.630 -2.088 1.00 0.00 O ATOM 64 CB LYS A 5 -3.773 3.520 -4.984 1.00 0.00 C ATOM 65 CG LYS A 5 -2.418 3.816 -5.658 1.00 0.00 C ATOM 66 CD LYS A 5 -2.394 5.113 -6.473 1.00 0.00 C ATOM 67 CE LYS A 5 -3.103 4.929 -7.816 1.00 0.00 C ATOM 68 NZ LYS A 5 -4.502 5.393 -7.821 1.00 0.00 N ATOM 0 H LYS A 5 -5.157 2.674 -2.716 1.00 0.00 H new ATOM 0 HA LYS A 5 -3.680 1.374 -4.926 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -4.553 3.505 -5.746 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -4.013 4.332 -4.298 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -1.646 3.868 -4.890 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -2.161 2.983 -6.313 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -2.877 5.910 -5.909 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -1.362 5.422 -6.642 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -2.549 5.468 -8.585 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -3.080 3.873 -8.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -4.762 5.702 -8.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -5.127 4.615 -7.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -4.606 6.189 -7.160 1.00 0.00 H new ATOM 82 N LEU A 6 -1.534 1.580 -3.602 1.00 0.00 N ATOM 83 CA LEU A 6 -0.337 1.478 -2.789 1.00 0.00 C ATOM 84 C LEU A 6 0.785 2.148 -3.554 1.00 0.00 C ATOM 85 O LEU A 6 0.922 1.925 -4.758 1.00 0.00 O ATOM 86 CB LEU A 6 0.009 0.012 -2.550 1.00 0.00 C ATOM 87 CG LEU A 6 1.359 -0.247 -1.846 1.00 0.00 C ATOM 88 CD1 LEU A 6 1.395 0.385 -0.446 1.00 0.00 C ATOM 89 CD2 LEU A 6 1.582 -1.763 -1.764 1.00 0.00 C ATOM 0 H LEU A 6 -1.423 1.167 -4.528 1.00 0.00 H new ATOM 0 HA LEU A 6 -0.489 1.956 -1.821 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -0.784 -0.438 -1.953 1.00 0.00 H new ATOM 0 HB3 LEU A 6 0.016 -0.503 -3.511 1.00 0.00 H new ATOM 0 HG LEU A 6 2.159 0.217 -2.423 1.00 0.00 H new ATOM 0 HD11 LEU A 6 2.359 0.183 0.020 1.00 0.00 H new ATOM 0 HD12 LEU A 6 1.251 1.462 -0.529 1.00 0.00 H new ATOM 0 HD13 LEU A 6 0.600 -0.041 0.166 1.00 0.00 H new ATOM 0 HD21 LEU A 6 2.532 -1.965 -1.269 1.00 0.00 H new ATOM 0 HD22 LEU A 6 0.772 -2.220 -1.195 1.00 0.00 H new ATOM 0 HD23 LEU A 6 1.600 -2.183 -2.770 1.00 0.00 H new ATOM 101 N ILE A 7 1.596 2.905 -2.826 1.00 0.00 N ATOM 102 CA ILE A 7 2.753 3.632 -3.316 1.00 0.00 C ATOM 103 C ILE A 7 3.943 3.140 -2.495 1.00 0.00 C ATOM 104 O ILE A 7 4.072 3.436 -1.304 1.00 0.00 O ATOM 105 CB ILE A 7 2.514 5.158 -3.261 1.00 0.00 C ATOM 106 CG1 ILE A 7 1.273 5.522 -4.110 1.00 0.00 C ATOM 107 CG2 ILE A 7 3.766 5.914 -3.749 1.00 0.00 C ATOM 108 CD1 ILE A 7 0.944 7.011 -4.188 1.00 0.00 C ATOM 0 H ILE A 7 1.454 3.033 -1.824 1.00 0.00 H new ATOM 0 HA ILE A 7 2.953 3.442 -4.371 1.00 0.00 H new ATOM 0 HB ILE A 7 2.326 5.458 -2.230 1.00 0.00 H new ATOM 0 HG12 ILE A 7 1.424 5.148 -5.122 1.00 0.00 H new ATOM 0 HG13 ILE A 7 0.409 4.998 -3.702 1.00 0.00 H new ATOM 0 HG21 ILE A 7 3.583 6.988 -3.705 1.00 0.00 H new ATOM 0 HG22 ILE A 7 4.614 5.664 -3.111 1.00 0.00 H new ATOM 0 HG23 ILE A 7 3.988 5.626 -4.777 1.00 0.00 H new ATOM 0 HD11 ILE A 7 0.058 7.156 -4.806 1.00 0.00 H new ATOM 0 HD12 ILE A 7 0.754 7.395 -3.186 1.00 0.00 H new ATOM 0 HD13 ILE A 7 1.785 7.547 -4.628 1.00 0.00 H new ATOM 120 N LEU A 8 4.751 2.277 -3.097 1.00 0.00 N ATOM 121 CA LEU A 8 5.939 1.714 -2.490 1.00 0.00 C ATOM 122 C LEU A 8 7.020 2.769 -2.679 1.00 0.00 C ATOM 123 O LEU A 8 7.549 2.935 -3.780 1.00 0.00 O ATOM 124 CB LEU A 8 6.330 0.414 -3.207 1.00 0.00 C ATOM 125 CG LEU A 8 5.328 -0.725 -3.101 1.00 0.00 C ATOM 126 CD1 LEU A 8 5.813 -1.883 -3.988 1.00 0.00 C ATOM 127 CD2 LEU A 8 5.168 -1.239 -1.678 1.00 0.00 C ATOM 0 H LEU A 8 4.589 1.943 -4.047 1.00 0.00 H new ATOM 0 HA LEU A 8 5.789 1.469 -1.438 1.00 0.00 H new ATOM 0 HB2 LEU A 8 6.489 0.636 -4.262 1.00 0.00 H new ATOM 0 HB3 LEU A 8 7.284 0.072 -2.806 1.00 0.00 H new ATOM 0 HG LEU A 8 4.359 -0.344 -3.423 1.00 0.00 H new ATOM 0 HD11 LEU A 8 5.106 -2.710 -3.925 1.00 0.00 H new ATOM 0 HD12 LEU A 8 5.884 -1.544 -5.022 1.00 0.00 H new ATOM 0 HD13 LEU A 8 6.793 -2.216 -3.647 1.00 0.00 H new ATOM 0 HD21 LEU A 8 4.441 -2.051 -1.664 1.00 0.00 H new ATOM 0 HD22 LEU A 8 6.128 -1.605 -1.313 1.00 0.00 H new ATOM 0 HD23 LEU A 8 4.821 -0.430 -1.036 1.00 0.00 H new ATOM 139 N ASN A 9 7.339 3.477 -1.605 1.00 0.00 N ATOM 140 CA ASN A 9 8.334 4.534 -1.552 1.00 0.00 C ATOM 141 C ASN A 9 9.580 4.042 -0.828 1.00 0.00 C ATOM 142 O ASN A 9 9.941 4.526 0.251 1.00 0.00 O ATOM 143 CB ASN A 9 7.713 5.747 -0.841 1.00 0.00 C ATOM 144 CG ASN A 9 7.122 6.749 -1.793 1.00 0.00 C ATOM 145 OD1 ASN A 9 7.078 6.571 -3.005 1.00 0.00 O ATOM 146 ND2 ASN A 9 6.722 7.868 -1.247 1.00 0.00 N ATOM 0 H ASN A 9 6.888 3.321 -0.704 1.00 0.00 H new ATOM 0 HA ASN A 9 8.636 4.826 -2.558 1.00 0.00 H new ATOM 0 HB2 ASN A 9 6.937 5.402 -0.158 1.00 0.00 H new ATOM 0 HB3 ASN A 9 8.476 6.236 -0.236 1.00 0.00 H new ATOM 0 HD21 ASN A 9 6.362 8.621 -1.833 1.00 0.00 H new ATOM 0 HD22 ASN A 9 6.770 7.988 -0.235 1.00 0.00 H new ATOM 153 N GLY A 10 10.356 3.201 -1.497 1.00 0.00 N ATOM 154 CA GLY A 10 11.561 2.673 -0.914 1.00 0.00 C ATOM 155 C GLY A 10 12.814 3.454 -1.241 1.00 0.00 C ATOM 156 O GLY A 10 12.932 4.177 -2.235 1.00 0.00 O ATOM 0 H GLY A 10 10.164 2.875 -2.444 1.00 0.00 H new ATOM 0 HA2 GLY A 10 11.441 2.641 0.169 1.00 0.00 H new ATOM 0 HA3 GLY A 10 11.692 1.645 -1.251 1.00 0.00 H new ATOM 160 N LYS A 11 13.789 3.294 -0.356 1.00 0.00 N ATOM 161 CA LYS A 11 15.103 3.910 -0.463 1.00 0.00 C ATOM 162 C LYS A 11 15.944 3.158 -1.480 1.00 0.00 C ATOM 163 O LYS A 11 16.947 3.698 -1.950 1.00 0.00 O ATOM 164 CB LYS A 11 15.804 3.852 0.907 1.00 0.00 C ATOM 165 CG LYS A 11 15.006 4.523 2.036 1.00 0.00 C ATOM 166 CD LYS A 11 14.707 6.014 1.791 1.00 0.00 C ATOM 167 CE LYS A 11 13.464 6.425 2.572 1.00 0.00 C ATOM 168 NZ LYS A 11 13.708 6.492 4.022 1.00 0.00 N ATOM 0 H LYS A 11 13.684 2.716 0.478 1.00 0.00 H new ATOM 0 HA LYS A 11 14.988 4.946 -0.781 1.00 0.00 H new ATOM 0 HB2 LYS A 11 15.983 2.810 1.170 1.00 0.00 H new ATOM 0 HB3 LYS A 11 16.779 4.333 0.827 1.00 0.00 H new ATOM 0 HG2 LYS A 11 14.064 3.991 2.167 1.00 0.00 H new ATOM 0 HG3 LYS A 11 15.561 4.423 2.969 1.00 0.00 H new ATOM 0 HD2 LYS A 11 15.559 6.621 2.099 1.00 0.00 H new ATOM 0 HD3 LYS A 11 14.555 6.194 0.727 1.00 0.00 H new ATOM 0 HE2 LYS A 11 13.122 7.398 2.219 1.00 0.00 H new ATOM 0 HE3 LYS A 11 12.662 5.714 2.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 12.834 6.775 4.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 14.009 5.558 4.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 14.454 7.190 4.217 1.00 0.00 H new ATOM 182 N THR A 12 15.516 1.965 -1.883 1.00 0.00 N ATOM 183 CA THR A 12 16.250 1.131 -2.825 1.00 0.00 C ATOM 184 C THR A 12 15.407 0.654 -4.012 1.00 0.00 C ATOM 185 O THR A 12 15.930 0.577 -5.124 1.00 0.00 O ATOM 186 CB THR A 12 16.913 0.009 -2.004 1.00 0.00 C ATOM 187 OG1 THR A 12 17.887 -0.672 -2.769 1.00 0.00 O ATOM 188 CG2 THR A 12 15.937 -0.980 -1.370 1.00 0.00 C ATOM 0 H THR A 12 14.643 1.548 -1.561 1.00 0.00 H new ATOM 0 HA THR A 12 17.024 1.711 -3.328 1.00 0.00 H new ATOM 0 HB THR A 12 17.395 0.517 -1.169 1.00 0.00 H new ATOM 0 HG1 THR A 12 18.295 -1.378 -2.226 1.00 0.00 H new ATOM 0 HG21 THR A 12 16.493 -1.733 -0.812 1.00 0.00 H new ATOM 0 HG22 THR A 12 15.268 -0.448 -0.693 1.00 0.00 H new ATOM 0 HG23 THR A 12 15.352 -1.465 -2.151 1.00 0.00 H new ATOM 196 N LEU A 13 14.128 0.329 -3.815 1.00 0.00 N ATOM 197 CA LEU A 13 13.198 -0.137 -4.846 1.00 0.00 C ATOM 198 C LEU A 13 11.899 0.611 -4.622 1.00 0.00 C ATOM 199 O LEU A 13 11.589 0.878 -3.465 1.00 0.00 O ATOM 200 CB LEU A 13 13.038 -1.662 -4.703 1.00 0.00 C ATOM 201 CG LEU A 13 11.909 -2.302 -5.541 1.00 0.00 C ATOM 202 CD1 LEU A 13 12.264 -3.756 -5.862 1.00 0.00 C ATOM 203 CD2 LEU A 13 10.550 -2.321 -4.823 1.00 0.00 C ATOM 0 H LEU A 13 13.693 0.386 -2.894 1.00 0.00 H new ATOM 0 HA LEU A 13 13.548 0.055 -5.860 1.00 0.00 H new ATOM 0 HB2 LEU A 13 13.981 -2.134 -4.978 1.00 0.00 H new ATOM 0 HB3 LEU A 13 12.860 -1.893 -3.653 1.00 0.00 H new ATOM 0 HG LEU A 13 11.821 -1.688 -6.437 1.00 0.00 H new ATOM 0 HD11 LEU A 13 11.465 -4.204 -6.453 1.00 0.00 H new ATOM 0 HD12 LEU A 13 13.195 -3.787 -6.428 1.00 0.00 H new ATOM 0 HD13 LEU A 13 12.385 -4.314 -4.934 1.00 0.00 H new ATOM 0 HD21 LEU A 13 9.804 -2.784 -5.469 1.00 0.00 H new ATOM 0 HD22 LEU A 13 10.635 -2.892 -3.899 1.00 0.00 H new ATOM 0 HD23 LEU A 13 10.246 -1.300 -4.592 1.00 0.00 H new ATOM 215 N LYS A 14 11.146 0.954 -5.670 1.00 0.00 N ATOM 216 CA LYS A 14 9.870 1.674 -5.574 1.00 0.00 C ATOM 217 C LYS A 14 8.871 1.098 -6.571 1.00 0.00 C ATOM 218 O LYS A 14 9.286 0.421 -7.518 1.00 0.00 O ATOM 219 CB LYS A 14 10.065 3.176 -5.820 1.00 0.00 C ATOM 220 CG LYS A 14 10.859 3.885 -4.713 1.00 0.00 C ATOM 221 CD LYS A 14 11.618 5.119 -5.185 1.00 0.00 C ATOM 222 CE LYS A 14 12.852 4.705 -5.993 1.00 0.00 C ATOM 223 NZ LYS A 14 13.456 5.845 -6.704 1.00 0.00 N ATOM 0 H LYS A 14 11.411 0.735 -6.630 1.00 0.00 H new ATOM 0 HA LYS A 14 9.479 1.547 -4.565 1.00 0.00 H new ATOM 0 HB2 LYS A 14 10.580 3.316 -6.771 1.00 0.00 H new ATOM 0 HB3 LYS A 14 9.088 3.650 -5.914 1.00 0.00 H new ATOM 0 HG2 LYS A 14 10.173 4.176 -3.918 1.00 0.00 H new ATOM 0 HG3 LYS A 14 11.568 3.179 -4.280 1.00 0.00 H new ATOM 0 HD2 LYS A 14 10.967 5.743 -5.797 1.00 0.00 H new ATOM 0 HD3 LYS A 14 11.921 5.719 -4.327 1.00 0.00 H new ATOM 0 HE2 LYS A 14 13.591 4.262 -5.325 1.00 0.00 H new ATOM 0 HE3 LYS A 14 12.572 3.936 -6.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 14.287 5.520 -7.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 12.760 6.252 -7.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 13.747 6.568 -6.016 1.00 0.00 H new ATOM 237 N GLY A 15 7.579 1.333 -6.397 1.00 0.00 N ATOM 238 CA GLY A 15 6.558 0.826 -7.302 1.00 0.00 C ATOM 239 C GLY A 15 5.165 1.268 -6.878 1.00 0.00 C ATOM 240 O GLY A 15 5.009 1.963 -5.875 1.00 0.00 O ATOM 0 H GLY A 15 7.208 1.882 -5.622 1.00 0.00 H new ATOM 0 HA2 GLY A 15 6.760 1.178 -8.314 1.00 0.00 H new ATOM 0 HA3 GLY A 15 6.603 -0.263 -7.329 1.00 0.00 H new ATOM 244 N GLU A 16 4.145 0.879 -7.638 1.00 0.00 N ATOM 245 CA GLU A 16 2.757 1.215 -7.352 1.00 0.00 C ATOM 246 C GLU A 16 1.841 0.095 -7.824 1.00 0.00 C ATOM 247 O GLU A 16 2.137 -0.584 -8.813 1.00 0.00 O ATOM 248 CB GLU A 16 2.327 2.497 -8.091 1.00 0.00 C ATOM 249 CG GLU A 16 2.791 3.794 -7.426 1.00 0.00 C ATOM 250 CD GLU A 16 2.192 5.053 -8.068 1.00 0.00 C ATOM 251 OE1 GLU A 16 1.218 4.959 -8.855 1.00 0.00 O ATOM 252 OE2 GLU A 16 2.681 6.169 -7.771 1.00 0.00 O ATOM 0 H GLU A 16 4.263 0.315 -8.480 1.00 0.00 H new ATOM 0 HA GLU A 16 2.678 1.362 -6.275 1.00 0.00 H new ATOM 0 HB2 GLU A 16 2.718 2.464 -9.108 1.00 0.00 H new ATOM 0 HB3 GLU A 16 1.240 2.511 -8.167 1.00 0.00 H new ATOM 0 HG2 GLU A 16 2.521 3.770 -6.370 1.00 0.00 H new ATOM 0 HG3 GLU A 16 3.878 3.851 -7.476 1.00 0.00 H new ATOM 259 N THR A 17 0.717 -0.089 -7.141 1.00 0.00 N ATOM 260 CA THR A 17 -0.294 -1.075 -7.473 1.00 0.00 C ATOM 261 C THR A 17 -1.641 -0.582 -6.951 1.00 0.00 C ATOM 262 O THR A 17 -1.713 0.249 -6.043 1.00 0.00 O ATOM 263 CB THR A 17 0.078 -2.476 -6.938 1.00 0.00 C ATOM 264 OG1 THR A 17 -0.799 -3.405 -7.535 1.00 0.00 O ATOM 265 CG2 THR A 17 -0.006 -2.677 -5.415 1.00 0.00 C ATOM 0 H THR A 17 0.481 0.463 -6.316 1.00 0.00 H new ATOM 0 HA THR A 17 -0.359 -1.188 -8.555 1.00 0.00 H new ATOM 0 HB THR A 17 1.130 -2.610 -7.191 1.00 0.00 H new ATOM 0 HG1 THR A 17 -0.587 -4.307 -7.216 1.00 0.00 H new ATOM 0 HG21 THR A 17 0.279 -3.699 -5.167 1.00 0.00 H new ATOM 0 HG22 THR A 17 0.670 -1.981 -4.918 1.00 0.00 H new ATOM 0 HG23 THR A 17 -1.027 -2.493 -5.079 1.00 0.00 H new ATOM 273 N THR A 18 -2.719 -1.109 -7.512 1.00 0.00 N ATOM 274 CA THR A 18 -4.090 -0.823 -7.161 1.00 0.00 C ATOM 275 C THR A 18 -4.778 -2.170 -6.954 1.00 0.00 C ATOM 276 O THR A 18 -4.458 -3.150 -7.633 1.00 0.00 O ATOM 277 CB THR A 18 -4.764 0.050 -8.241 1.00 0.00 C ATOM 278 OG1 THR A 18 -4.275 -0.128 -9.563 1.00 0.00 O ATOM 279 CG2 THR A 18 -4.447 1.500 -7.915 1.00 0.00 C ATOM 0 H THR A 18 -2.649 -1.788 -8.270 1.00 0.00 H new ATOM 0 HA THR A 18 -4.161 -0.238 -6.244 1.00 0.00 H new ATOM 0 HB THR A 18 -5.817 -0.230 -8.224 1.00 0.00 H new ATOM 0 HG1 THR A 18 -4.762 0.464 -10.174 1.00 0.00 H new ATOM 0 HG21 THR A 18 -4.908 2.149 -8.659 1.00 0.00 H new ATOM 0 HG22 THR A 18 -4.838 1.745 -6.927 1.00 0.00 H new ATOM 0 HG23 THR A 18 -3.367 1.647 -7.924 1.00 0.00 H new ATOM 287 N THR A 19 -5.628 -2.273 -5.940 1.00 0.00 N ATOM 288 CA THR A 19 -6.362 -3.484 -5.631 1.00 0.00 C ATOM 289 C THR A 19 -7.720 -3.038 -5.074 1.00 0.00 C ATOM 290 O THR A 19 -7.849 -1.921 -4.564 1.00 0.00 O ATOM 291 CB THR A 19 -5.489 -4.375 -4.718 1.00 0.00 C ATOM 292 OG1 THR A 19 -5.642 -5.745 -5.025 1.00 0.00 O ATOM 293 CG2 THR A 19 -5.762 -4.162 -3.236 1.00 0.00 C ATOM 0 H THR A 19 -5.827 -1.503 -5.302 1.00 0.00 H new ATOM 0 HA THR A 19 -6.577 -4.121 -6.489 1.00 0.00 H new ATOM 0 HB THR A 19 -4.462 -4.069 -4.918 1.00 0.00 H new ATOM 0 HG1 THR A 19 -5.075 -6.279 -4.430 1.00 0.00 H new ATOM 0 HG21 THR A 19 -5.117 -4.817 -2.650 1.00 0.00 H new ATOM 0 HG22 THR A 19 -5.559 -3.124 -2.974 1.00 0.00 H new ATOM 0 HG23 THR A 19 -6.805 -4.393 -3.021 1.00 0.00 H new ATOM 301 N GLU A 20 -8.763 -3.841 -5.231 1.00 0.00 N ATOM 302 CA GLU A 20 -10.083 -3.506 -4.714 1.00 0.00 C ATOM 303 C GLU A 20 -10.265 -4.313 -3.443 1.00 0.00 C ATOM 304 O GLU A 20 -10.070 -5.530 -3.460 1.00 0.00 O ATOM 305 CB GLU A 20 -11.146 -3.803 -5.763 1.00 0.00 C ATOM 306 CG GLU A 20 -11.112 -2.708 -6.833 1.00 0.00 C ATOM 307 CD GLU A 20 -12.109 -2.977 -7.946 1.00 0.00 C ATOM 308 OE1 GLU A 20 -13.312 -3.160 -7.646 1.00 0.00 O ATOM 309 OE2 GLU A 20 -11.696 -2.953 -9.133 1.00 0.00 O ATOM 0 H GLU A 20 -8.719 -4.737 -5.717 1.00 0.00 H new ATOM 0 HA GLU A 20 -10.181 -2.445 -4.486 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -10.965 -4.778 -6.216 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -12.131 -3.845 -5.299 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -11.331 -1.744 -6.374 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -10.108 -2.641 -7.252 1.00 0.00 H new ATOM 316 N ALA A 21 -10.605 -3.645 -2.342 1.00 0.00 N ATOM 317 CA ALA A 21 -10.796 -4.287 -1.056 1.00 0.00 C ATOM 318 C ALA A 21 -12.124 -3.860 -0.439 1.00 0.00 C ATOM 319 O ALA A 21 -12.626 -2.755 -0.659 1.00 0.00 O ATOM 320 CB ALA A 21 -9.604 -3.952 -0.163 1.00 0.00 C ATOM 0 H ALA A 21 -10.755 -2.636 -2.324 1.00 0.00 H new ATOM 0 HA ALA A 21 -10.844 -5.370 -1.174 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -9.733 -4.428 0.809 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -8.688 -4.317 -0.627 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -9.539 -2.872 -0.032 1.00 0.00 H new ATOM 326 N VAL A 22 -12.679 -4.753 0.372 1.00 0.00 N ATOM 327 CA VAL A 22 -13.955 -4.549 1.040 1.00 0.00 C ATOM 328 C VAL A 22 -13.861 -3.449 2.096 1.00 0.00 C ATOM 329 O VAL A 22 -14.771 -2.618 2.189 1.00 0.00 O ATOM 330 CB VAL A 22 -14.479 -5.882 1.623 1.00 0.00 C ATOM 331 CG1 VAL A 22 -14.542 -6.983 0.550 1.00 0.00 C ATOM 332 CG2 VAL A 22 -13.647 -6.382 2.811 1.00 0.00 C ATOM 0 H VAL A 22 -12.247 -5.652 0.586 1.00 0.00 H new ATOM 0 HA VAL A 22 -14.681 -4.207 0.303 1.00 0.00 H new ATOM 0 HB VAL A 22 -15.485 -5.667 1.982 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -14.915 -7.905 0.996 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -15.211 -6.672 -0.252 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -13.545 -7.153 0.145 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -14.063 -7.321 3.177 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -12.617 -6.541 2.492 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -13.669 -5.640 3.609 1.00 0.00 H new ATOM 342 N ASP A 23 -12.776 -3.399 2.864 1.00 0.00 N ATOM 343 CA ASP A 23 -12.521 -2.439 3.931 1.00 0.00 C ATOM 344 C ASP A 23 -11.036 -2.101 3.964 1.00 0.00 C ATOM 345 O ASP A 23 -10.222 -2.715 3.263 1.00 0.00 O ATOM 346 CB ASP A 23 -13.039 -2.946 5.296 1.00 0.00 C ATOM 347 CG ASP A 23 -12.425 -4.246 5.830 1.00 0.00 C ATOM 348 OD1 ASP A 23 -11.306 -4.617 5.412 1.00 0.00 O ATOM 349 OD2 ASP A 23 -13.093 -4.921 6.648 1.00 0.00 O ATOM 0 H ASP A 23 -12.010 -4.064 2.752 1.00 0.00 H new ATOM 0 HA ASP A 23 -13.077 -1.524 3.724 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -12.871 -2.163 6.035 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -14.117 -3.086 5.219 1.00 0.00 H new ATOM 354 N ALA A 24 -10.700 -1.089 4.766 1.00 0.00 N ATOM 355 CA ALA A 24 -9.341 -0.609 4.917 1.00 0.00 C ATOM 356 C ALA A 24 -8.424 -1.676 5.509 1.00 0.00 C ATOM 357 O ALA A 24 -7.252 -1.699 5.149 1.00 0.00 O ATOM 358 CB ALA A 24 -9.340 0.652 5.785 1.00 0.00 C ATOM 0 H ALA A 24 -11.378 -0.579 5.332 1.00 0.00 H new ATOM 0 HA ALA A 24 -8.950 -0.369 3.928 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -8.318 1.014 5.899 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -9.947 1.422 5.309 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -9.754 0.419 6.766 1.00 0.00 H new ATOM 364 N ALA A 25 -8.920 -2.547 6.396 1.00 0.00 N ATOM 365 CA ALA A 25 -8.076 -3.583 6.977 1.00 0.00 C ATOM 366 C ALA A 25 -7.635 -4.562 5.899 1.00 0.00 C ATOM 367 O ALA A 25 -6.455 -4.880 5.811 1.00 0.00 O ATOM 368 CB ALA A 25 -8.796 -4.293 8.116 1.00 0.00 C ATOM 0 H ALA A 25 -9.887 -2.552 6.720 1.00 0.00 H new ATOM 0 HA ALA A 25 -7.185 -3.117 7.397 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -8.146 -5.062 8.534 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -9.050 -3.571 8.892 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -9.708 -4.755 7.738 1.00 0.00 H new ATOM 374 N THR A 26 -8.567 -5.037 5.076 1.00 0.00 N ATOM 375 CA THR A 26 -8.276 -5.958 3.986 1.00 0.00 C ATOM 376 C THR A 26 -7.259 -5.294 3.062 1.00 0.00 C ATOM 377 O THR A 26 -6.277 -5.912 2.669 1.00 0.00 O ATOM 378 CB THR A 26 -9.570 -6.254 3.218 1.00 0.00 C ATOM 379 OG1 THR A 26 -10.589 -6.713 4.088 1.00 0.00 O ATOM 380 CG2 THR A 26 -9.397 -7.284 2.100 1.00 0.00 C ATOM 0 H THR A 26 -9.554 -4.790 5.150 1.00 0.00 H new ATOM 0 HA THR A 26 -7.872 -6.895 4.369 1.00 0.00 H new ATOM 0 HB THR A 26 -9.850 -5.304 2.764 1.00 0.00 H new ATOM 0 HG1 THR A 26 -11.107 -5.949 4.417 1.00 0.00 H new ATOM 0 HG21 THR A 26 -10.353 -7.443 1.601 1.00 0.00 H new ATOM 0 HG22 THR A 26 -8.667 -6.918 1.378 1.00 0.00 H new ATOM 0 HG23 THR A 26 -9.048 -8.226 2.524 1.00 0.00 H new ATOM 388 N ALA A 27 -7.494 -4.014 2.737 1.00 0.00 N ATOM 389 CA ALA A 27 -6.618 -3.272 1.860 1.00 0.00 C ATOM 390 C ALA A 27 -5.199 -3.221 2.417 1.00 0.00 C ATOM 391 O ALA A 27 -4.243 -3.574 1.724 1.00 0.00 O ATOM 392 CB ALA A 27 -7.173 -1.850 1.675 1.00 0.00 C ATOM 0 H ALA A 27 -8.293 -3.481 3.079 1.00 0.00 H new ATOM 0 HA ALA A 27 -6.576 -3.776 0.894 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -6.515 -1.286 1.014 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -8.170 -1.903 1.237 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -7.228 -1.352 2.643 1.00 0.00 H new ATOM 398 N GLU A 28 -5.076 -2.832 3.679 1.00 0.00 N ATOM 399 CA GLU A 28 -3.820 -2.713 4.385 1.00 0.00 C ATOM 400 C GLU A 28 -3.103 -4.059 4.477 1.00 0.00 C ATOM 401 O GLU A 28 -1.887 -4.096 4.328 1.00 0.00 O ATOM 402 CB GLU A 28 -4.111 -2.094 5.754 1.00 0.00 C ATOM 403 CG GLU A 28 -2.853 -1.609 6.472 1.00 0.00 C ATOM 404 CD GLU A 28 -3.260 -1.075 7.847 1.00 0.00 C ATOM 405 OE1 GLU A 28 -3.334 -1.886 8.800 1.00 0.00 O ATOM 406 OE2 GLU A 28 -3.527 0.147 7.959 1.00 0.00 O ATOM 0 H GLU A 28 -5.881 -2.583 4.254 1.00 0.00 H new ATOM 0 HA GLU A 28 -3.134 -2.063 3.842 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -4.797 -1.256 5.629 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -4.618 -2.830 6.378 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -2.138 -2.425 6.578 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -2.362 -0.828 5.892 1.00 0.00 H new ATOM 413 N LYS A 29 -3.815 -5.168 4.703 1.00 0.00 N ATOM 414 CA LYS A 29 -3.214 -6.502 4.788 1.00 0.00 C ATOM 415 C LYS A 29 -2.659 -6.893 3.425 1.00 0.00 C ATOM 416 O LYS A 29 -1.485 -7.264 3.330 1.00 0.00 O ATOM 417 CB LYS A 29 -4.268 -7.542 5.195 1.00 0.00 C ATOM 418 CG LYS A 29 -4.724 -7.396 6.648 1.00 0.00 C ATOM 419 CD LYS A 29 -6.089 -8.054 6.873 1.00 0.00 C ATOM 420 CE LYS A 29 -6.700 -7.461 8.139 1.00 0.00 C ATOM 421 NZ LYS A 29 -8.079 -7.938 8.372 1.00 0.00 N ATOM 0 H LYS A 29 -4.827 -5.165 4.832 1.00 0.00 H new ATOM 0 HA LYS A 29 -2.420 -6.476 5.534 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -5.133 -7.451 4.538 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -3.860 -8.542 5.047 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -3.986 -7.849 7.310 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -4.780 -6.339 6.909 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -6.741 -7.879 6.018 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -5.979 -9.134 6.974 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -6.078 -7.721 8.996 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -6.702 -6.374 8.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -8.452 -7.509 9.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -8.680 -7.668 7.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -8.076 -8.973 8.470 1.00 0.00 H new ATOM 435 N VAL A 30 -3.482 -6.760 2.378 1.00 0.00 N ATOM 436 CA VAL A 30 -3.089 -7.106 1.018 1.00 0.00 C ATOM 437 C VAL A 30 -1.849 -6.308 0.637 1.00 0.00 C ATOM 438 O VAL A 30 -0.846 -6.884 0.209 1.00 0.00 O ATOM 439 CB VAL A 30 -4.288 -6.906 0.070 1.00 0.00 C ATOM 440 CG1 VAL A 30 -3.934 -6.900 -1.422 1.00 0.00 C ATOM 441 CG2 VAL A 30 -5.267 -8.056 0.307 1.00 0.00 C ATOM 0 H VAL A 30 -4.437 -6.409 2.456 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.814 -8.158 0.938 1.00 0.00 H new ATOM 0 HB VAL A 30 -4.700 -5.923 0.297 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -4.840 -6.754 -2.010 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -3.234 -6.090 -1.627 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -3.476 -7.852 -1.691 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -6.128 -7.942 -0.351 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -4.772 -9.004 0.096 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -5.599 -8.043 1.345 1.00 0.00 H new ATOM 451 N PHE A 31 -1.892 -4.992 0.827 1.00 0.00 N ATOM 452 CA PHE A 31 -0.775 -4.125 0.513 1.00 0.00 C ATOM 453 C PHE A 31 0.432 -4.430 1.380 1.00 0.00 C ATOM 454 O PHE A 31 1.532 -4.450 0.835 1.00 0.00 O ATOM 455 CB PHE A 31 -1.214 -2.669 0.612 1.00 0.00 C ATOM 456 CG PHE A 31 -2.091 -2.167 -0.522 1.00 0.00 C ATOM 457 CD1 PHE A 31 -2.162 -2.825 -1.774 1.00 0.00 C ATOM 458 CD2 PHE A 31 -2.783 -0.957 -0.343 1.00 0.00 C ATOM 459 CE1 PHE A 31 -2.891 -2.271 -2.834 1.00 0.00 C ATOM 460 CE2 PHE A 31 -3.508 -0.402 -1.412 1.00 0.00 C ATOM 461 CZ PHE A 31 -3.556 -1.054 -2.657 1.00 0.00 C ATOM 0 H PHE A 31 -2.704 -4.503 1.203 1.00 0.00 H new ATOM 0 HA PHE A 31 -0.458 -4.312 -0.513 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -1.752 -2.534 1.550 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -0.323 -2.043 0.663 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -1.648 -3.765 -1.913 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -2.758 -0.455 0.613 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -2.939 -2.782 -3.784 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -4.032 0.532 -1.276 1.00 0.00 H new ATOM 0 HZ PHE A 31 -4.106 -0.615 -3.476 1.00 0.00 H new ATOM 471 N LYS A 32 0.277 -4.710 2.679 1.00 0.00 N ATOM 472 CA LYS A 32 1.416 -5.038 3.536 1.00 0.00 C ATOM 473 C LYS A 32 2.145 -6.224 2.953 1.00 0.00 C ATOM 474 O LYS A 32 3.366 -6.196 2.836 1.00 0.00 O ATOM 475 CB LYS A 32 0.999 -5.337 4.984 1.00 0.00 C ATOM 476 CG LYS A 32 1.162 -4.099 5.880 1.00 0.00 C ATOM 477 CD LYS A 32 1.892 -4.469 7.173 1.00 0.00 C ATOM 478 CE LYS A 32 2.337 -3.188 7.885 1.00 0.00 C ATOM 479 NZ LYS A 32 3.196 -3.463 9.050 1.00 0.00 N ATOM 0 H LYS A 32 -0.624 -4.715 3.156 1.00 0.00 H new ATOM 0 HA LYS A 32 2.070 -4.166 3.570 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -0.039 -5.669 5.004 1.00 0.00 H new ATOM 0 HB3 LYS A 32 1.603 -6.155 5.377 1.00 0.00 H new ATOM 0 HG2 LYS A 32 1.719 -3.328 5.348 1.00 0.00 H new ATOM 0 HG3 LYS A 32 0.183 -3.680 6.114 1.00 0.00 H new ATOM 0 HD2 LYS A 32 1.236 -5.050 7.821 1.00 0.00 H new ATOM 0 HD3 LYS A 32 2.756 -5.095 6.950 1.00 0.00 H new ATOM 0 HE2 LYS A 32 2.876 -2.553 7.182 1.00 0.00 H new ATOM 0 HE3 LYS A 32 1.458 -2.631 8.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 3.471 -2.566 9.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 2.675 -4.047 9.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 4.049 -3.971 8.740 1.00 0.00 H new ATOM 493 N GLN A 33 1.397 -7.263 2.598 1.00 0.00 N ATOM 494 CA GLN A 33 1.981 -8.448 2.021 1.00 0.00 C ATOM 495 C GLN A 33 2.655 -8.083 0.703 1.00 0.00 C ATOM 496 O GLN A 33 3.763 -8.550 0.457 1.00 0.00 O ATOM 497 CB GLN A 33 0.903 -9.519 1.822 1.00 0.00 C ATOM 498 CG GLN A 33 1.515 -10.894 1.530 1.00 0.00 C ATOM 499 CD GLN A 33 1.880 -11.613 2.824 1.00 0.00 C ATOM 500 OE1 GLN A 33 1.056 -12.324 3.392 1.00 0.00 O ATOM 501 NE2 GLN A 33 3.062 -11.399 3.369 1.00 0.00 N ATOM 0 H GLN A 33 0.383 -7.300 2.704 1.00 0.00 H new ATOM 0 HA GLN A 33 2.735 -8.858 2.693 1.00 0.00 H new ATOM 0 HB2 GLN A 33 0.282 -9.580 2.715 1.00 0.00 H new ATOM 0 HB3 GLN A 33 0.250 -9.229 0.999 1.00 0.00 H new ATOM 0 HG2 GLN A 33 0.808 -11.498 0.961 1.00 0.00 H new ATOM 0 HG3 GLN A 33 2.405 -10.777 0.911 1.00 0.00 H new ATOM 0 HE21 GLN A 33 3.743 -10.808 2.893 1.00 0.00 H new ATOM 0 HE22 GLN A 33 3.295 -11.825 4.266 1.00 0.00 H new ATOM 510 N TYR A 34 2.022 -7.236 -0.114 1.00 0.00 N ATOM 511 CA TYR A 34 2.583 -6.852 -1.403 1.00 0.00 C ATOM 512 C TYR A 34 3.924 -6.148 -1.229 1.00 0.00 C ATOM 513 O TYR A 34 4.901 -6.444 -1.906 1.00 0.00 O ATOM 514 CB TYR A 34 1.596 -5.957 -2.168 1.00 0.00 C ATOM 515 CG TYR A 34 1.902 -5.886 -3.649 1.00 0.00 C ATOM 516 CD1 TYR A 34 2.830 -4.955 -4.158 1.00 0.00 C ATOM 517 CD2 TYR A 34 1.304 -6.821 -4.509 1.00 0.00 C ATOM 518 CE1 TYR A 34 3.166 -4.967 -5.526 1.00 0.00 C ATOM 519 CE2 TYR A 34 1.634 -6.840 -5.871 1.00 0.00 C ATOM 520 CZ TYR A 34 2.563 -5.911 -6.388 1.00 0.00 C ATOM 521 OH TYR A 34 2.824 -5.924 -7.724 1.00 0.00 O ATOM 0 H TYR A 34 1.122 -6.806 0.098 1.00 0.00 H new ATOM 0 HA TYR A 34 2.754 -7.758 -1.984 1.00 0.00 H new ATOM 0 HB2 TYR A 34 0.584 -6.336 -2.028 1.00 0.00 H new ATOM 0 HB3 TYR A 34 1.621 -4.952 -1.747 1.00 0.00 H new ATOM 0 HD1 TYR A 34 3.284 -4.231 -3.498 1.00 0.00 H new ATOM 0 HD2 TYR A 34 0.587 -7.528 -4.119 1.00 0.00 H new ATOM 0 HE1 TYR A 34 3.882 -4.258 -5.915 1.00 0.00 H new ATOM 0 HE2 TYR A 34 1.177 -7.567 -6.526 1.00 0.00 H new ATOM 0 HH TYR A 34 2.316 -6.646 -8.149 1.00 0.00 H new ATOM 531 N ALA A 35 3.991 -5.193 -0.313 1.00 0.00 N ATOM 532 CA ALA A 35 5.203 -4.430 -0.060 1.00 0.00 C ATOM 533 C ALA A 35 6.312 -5.329 0.457 1.00 0.00 C ATOM 534 O ALA A 35 7.408 -5.319 -0.098 1.00 0.00 O ATOM 535 CB ALA A 35 4.894 -3.311 0.909 1.00 0.00 C ATOM 0 H ALA A 35 3.203 -4.925 0.277 1.00 0.00 H new ATOM 0 HA ALA A 35 5.558 -3.994 -0.994 1.00 0.00 H new ATOM 0 HB1 ALA A 35 5.800 -2.736 1.102 1.00 0.00 H new ATOM 0 HB2 ALA A 35 4.134 -2.658 0.480 1.00 0.00 H new ATOM 0 HB3 ALA A 35 4.525 -3.731 1.845 1.00 0.00 H new ATOM 541 N ASN A 36 6.012 -6.143 1.470 1.00 0.00 N ATOM 542 CA ASN A 36 6.976 -7.077 2.043 1.00 0.00 C ATOM 543 C ASN A 36 7.463 -8.039 0.954 1.00 0.00 C ATOM 544 O ASN A 36 8.617 -8.454 0.981 1.00 0.00 O ATOM 545 CB ASN A 36 6.382 -7.805 3.266 1.00 0.00 C ATOM 546 CG ASN A 36 6.323 -9.325 3.158 1.00 0.00 C ATOM 547 OD1 ASN A 36 6.987 -10.040 3.896 1.00 0.00 O ATOM 548 ND2 ASN A 36 5.462 -9.857 2.309 1.00 0.00 N ATOM 0 H ASN A 36 5.094 -6.172 1.914 1.00 0.00 H new ATOM 0 HA ASN A 36 7.843 -6.529 2.413 1.00 0.00 H new ATOM 0 HB2 ASN A 36 6.971 -7.543 4.145 1.00 0.00 H new ATOM 0 HB3 ASN A 36 5.373 -7.430 3.435 1.00 0.00 H new ATOM 0 HD21 ASN A 36 5.348 -10.870 2.266 1.00 0.00 H new ATOM 0 HD22 ASN A 36 4.912 -9.255 1.697 1.00 0.00 H new ATOM 555 N ASP A 37 6.616 -8.374 -0.027 1.00 0.00 N ATOM 556 CA ASP A 37 6.989 -9.270 -1.120 1.00 0.00 C ATOM 557 C ASP A 37 8.067 -8.613 -1.980 1.00 0.00 C ATOM 558 O ASP A 37 8.948 -9.305 -2.481 1.00 0.00 O ATOM 559 CB ASP A 37 5.789 -9.655 -1.984 1.00 0.00 C ATOM 560 CG ASP A 37 6.173 -10.695 -3.042 1.00 0.00 C ATOM 561 OD1 ASP A 37 6.868 -11.689 -2.741 1.00 0.00 O ATOM 562 OD2 ASP A 37 5.716 -10.551 -4.199 1.00 0.00 O ATOM 0 H ASP A 37 5.657 -8.031 -0.082 1.00 0.00 H new ATOM 0 HA ASP A 37 7.377 -10.188 -0.678 1.00 0.00 H new ATOM 0 HB2 ASP A 37 4.996 -10.053 -1.351 1.00 0.00 H new ATOM 0 HB3 ASP A 37 5.391 -8.766 -2.473 1.00 0.00 H new ATOM 567 N ASN A 38 7.998 -7.287 -2.142 1.00 0.00 N ATOM 568 CA ASN A 38 8.961 -6.475 -2.891 1.00 0.00 C ATOM 569 C ASN A 38 10.141 -6.096 -1.972 1.00 0.00 C ATOM 570 O ASN A 38 11.070 -5.416 -2.409 1.00 0.00 O ATOM 571 CB ASN A 38 8.313 -5.170 -3.397 1.00 0.00 C ATOM 572 CG ASN A 38 7.334 -5.351 -4.541 1.00 0.00 C ATOM 573 OD1 ASN A 38 7.679 -5.190 -5.708 1.00 0.00 O ATOM 574 ND2 ASN A 38 6.086 -5.631 -4.226 1.00 0.00 N ATOM 0 H ASN A 38 7.243 -6.731 -1.741 1.00 0.00 H new ATOM 0 HA ASN A 38 9.303 -7.063 -3.743 1.00 0.00 H new ATOM 0 HB2 ASN A 38 7.795 -4.691 -2.566 1.00 0.00 H new ATOM 0 HB3 ASN A 38 9.102 -4.489 -3.716 1.00 0.00 H new ATOM 0 HD21 ASN A 38 5.382 -5.718 -4.959 1.00 0.00 H new ATOM 0 HD22 ASN A 38 5.823 -5.760 -3.249 1.00 0.00 H new ATOM 581 N GLY A 39 10.113 -6.483 -0.692 1.00 0.00 N ATOM 582 CA GLY A 39 11.141 -6.192 0.293 1.00 0.00 C ATOM 583 C GLY A 39 11.096 -4.736 0.726 1.00 0.00 C ATOM 584 O GLY A 39 12.153 -4.137 0.933 1.00 0.00 O ATOM 0 H GLY A 39 9.341 -7.028 -0.307 1.00 0.00 H new ATOM 0 HA2 GLY A 39 11.007 -6.836 1.162 1.00 0.00 H new ATOM 0 HA3 GLY A 39 12.122 -6.419 -0.124 1.00 0.00 H new ATOM 588 N VAL A 40 9.897 -4.164 0.832 1.00 0.00 N ATOM 589 CA VAL A 40 9.653 -2.797 1.239 1.00 0.00 C ATOM 590 C VAL A 40 8.895 -2.861 2.549 1.00 0.00 C ATOM 591 O VAL A 40 7.819 -3.458 2.619 1.00 0.00 O ATOM 592 CB VAL A 40 8.773 -2.053 0.222 1.00 0.00 C ATOM 593 CG1 VAL A 40 8.550 -0.590 0.640 1.00 0.00 C ATOM 594 CG2 VAL A 40 9.333 -2.123 -1.203 1.00 0.00 C ATOM 0 H VAL A 40 9.036 -4.671 0.625 1.00 0.00 H new ATOM 0 HA VAL A 40 10.603 -2.269 1.321 1.00 0.00 H new ATOM 0 HB VAL A 40 7.811 -2.565 0.217 1.00 0.00 H new ATOM 0 HG11 VAL A 40 7.924 -0.092 -0.100 1.00 0.00 H new ATOM 0 HG12 VAL A 40 8.057 -0.560 1.612 1.00 0.00 H new ATOM 0 HG13 VAL A 40 9.511 -0.080 0.705 1.00 0.00 H new ATOM 0 HG21 VAL A 40 8.673 -1.581 -1.880 1.00 0.00 H new ATOM 0 HG22 VAL A 40 10.325 -1.673 -1.226 1.00 0.00 H new ATOM 0 HG23 VAL A 40 9.400 -3.165 -1.517 1.00 0.00 H new ATOM 604 N ASP A 41 9.456 -2.248 3.579 1.00 0.00 N ATOM 605 CA ASP A 41 8.822 -2.191 4.877 1.00 0.00 C ATOM 606 C ASP A 41 9.324 -0.926 5.547 1.00 0.00 C ATOM 607 O ASP A 41 10.489 -0.833 5.945 1.00 0.00 O ATOM 608 CB ASP A 41 9.083 -3.444 5.692 1.00 0.00 C ATOM 609 CG ASP A 41 8.352 -3.344 7.028 1.00 0.00 C ATOM 610 OD1 ASP A 41 7.210 -2.825 7.056 1.00 0.00 O ATOM 611 OD2 ASP A 41 8.929 -3.816 8.034 1.00 0.00 O ATOM 0 H ASP A 41 10.361 -1.779 3.535 1.00 0.00 H new ATOM 0 HA ASP A 41 7.737 -2.155 4.784 1.00 0.00 H new ATOM 0 HB2 ASP A 41 8.744 -4.324 5.145 1.00 0.00 H new ATOM 0 HB3 ASP A 41 10.153 -3.566 5.859 1.00 0.00 H new ATOM 616 N GLY A 42 8.469 0.087 5.558 1.00 0.00 N ATOM 617 CA GLY A 42 8.739 1.385 6.125 1.00 0.00 C ATOM 618 C GLY A 42 7.535 1.963 6.845 1.00 0.00 C ATOM 619 O GLY A 42 6.666 1.238 7.312 1.00 0.00 O ATOM 0 H GLY A 42 7.535 0.016 5.155 1.00 0.00 H new ATOM 0 HA2 GLY A 42 9.573 1.308 6.822 1.00 0.00 H new ATOM 0 HA3 GLY A 42 9.048 2.067 5.333 1.00 0.00 H new ATOM 623 N GLU A 43 7.511 3.284 6.973 1.00 0.00 N ATOM 624 CA GLU A 43 6.436 4.026 7.614 1.00 0.00 C ATOM 625 C GLU A 43 5.244 4.053 6.661 1.00 0.00 C ATOM 626 O GLU A 43 5.329 4.654 5.585 1.00 0.00 O ATOM 627 CB GLU A 43 6.870 5.453 7.989 1.00 0.00 C ATOM 628 CG GLU A 43 5.684 6.207 8.623 1.00 0.00 C ATOM 629 CD GLU A 43 6.108 7.477 9.357 1.00 0.00 C ATOM 630 OE1 GLU A 43 6.432 8.488 8.692 1.00 0.00 O ATOM 631 OE2 GLU A 43 6.118 7.453 10.611 1.00 0.00 O ATOM 0 H GLU A 43 8.259 3.883 6.624 1.00 0.00 H new ATOM 0 HA GLU A 43 6.163 3.531 8.546 1.00 0.00 H new ATOM 0 HB2 GLU A 43 7.706 5.417 8.687 1.00 0.00 H new ATOM 0 HB3 GLU A 43 7.218 5.983 7.102 1.00 0.00 H new ATOM 0 HG2 GLU A 43 4.967 6.466 7.844 1.00 0.00 H new ATOM 0 HG3 GLU A 43 5.171 5.545 9.321 1.00 0.00 H new ATOM 638 N TRP A 44 4.158 3.388 7.052 1.00 0.00 N ATOM 639 CA TRP A 44 2.932 3.312 6.280 1.00 0.00 C ATOM 640 C TRP A 44 2.026 4.498 6.615 1.00 0.00 C ATOM 641 O TRP A 44 1.745 4.754 7.788 1.00 0.00 O ATOM 642 CB TRP A 44 2.196 2.006 6.594 1.00 0.00 C ATOM 643 CG TRP A 44 2.865 0.745 6.131 1.00 0.00 C ATOM 644 CD1 TRP A 44 3.941 0.156 6.700 1.00 0.00 C ATOM 645 CD2 TRP A 44 2.563 -0.068 4.961 1.00 0.00 C ATOM 646 NE1 TRP A 44 4.362 -0.916 5.944 1.00 0.00 N ATOM 647 CE2 TRP A 44 3.543 -1.099 4.857 1.00 0.00 C ATOM 648 CE3 TRP A 44 1.583 -0.014 3.950 1.00 0.00 C ATOM 649 CZ2 TRP A 44 3.560 -2.012 3.800 1.00 0.00 C ATOM 650 CZ3 TRP A 44 1.585 -0.929 2.887 1.00 0.00 C ATOM 651 CH2 TRP A 44 2.570 -1.920 2.807 1.00 0.00 C ATOM 0 H TRP A 44 4.111 2.878 7.934 1.00 0.00 H new ATOM 0 HA TRP A 44 3.185 3.340 5.220 1.00 0.00 H new ATOM 0 HB2 TRP A 44 2.054 1.943 7.673 1.00 0.00 H new ATOM 0 HB3 TRP A 44 1.204 2.054 6.144 1.00 0.00 H new ATOM 0 HD1 TRP A 44 4.406 0.481 7.619 1.00 0.00 H new ATOM 0 HE1 TRP A 44 5.173 -1.495 6.162 1.00 0.00 H new ATOM 0 HE3 TRP A 44 0.817 0.746 3.994 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 4.321 -2.776 3.747 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 0.822 -0.868 2.125 1.00 0.00 H new ATOM 0 HH2 TRP A 44 2.569 -2.615 1.981 1.00 0.00 H new ATOM 662 N THR A 45 1.500 5.158 5.591 1.00 0.00 N ATOM 663 CA THR A 45 0.600 6.303 5.664 1.00 0.00 C ATOM 664 C THR A 45 -0.692 5.985 4.893 1.00 0.00 C ATOM 665 O THR A 45 -0.737 4.982 4.174 1.00 0.00 O ATOM 666 CB THR A 45 1.312 7.561 5.135 1.00 0.00 C ATOM 667 OG1 THR A 45 1.426 7.510 3.729 1.00 0.00 O ATOM 668 CG2 THR A 45 2.730 7.750 5.690 1.00 0.00 C ATOM 0 H THR A 45 1.703 4.892 4.627 1.00 0.00 H new ATOM 0 HA THR A 45 0.323 6.505 6.699 1.00 0.00 H new ATOM 0 HB THR A 45 0.693 8.395 5.467 1.00 0.00 H new ATOM 0 HG1 THR A 45 1.879 8.317 3.408 1.00 0.00 H new ATOM 0 HG21 THR A 45 3.167 8.657 5.272 1.00 0.00 H new ATOM 0 HG22 THR A 45 2.687 7.835 6.776 1.00 0.00 H new ATOM 0 HG23 THR A 45 3.345 6.892 5.417 1.00 0.00 H new ATOM 676 N TYR A 46 -1.742 6.803 4.994 1.00 0.00 N ATOM 677 CA TYR A 46 -3.007 6.590 4.305 1.00 0.00 C ATOM 678 C TYR A 46 -3.631 7.943 3.964 1.00 0.00 C ATOM 679 O TYR A 46 -3.518 8.897 4.736 1.00 0.00 O ATOM 680 CB TYR A 46 -3.932 5.755 5.204 1.00 0.00 C ATOM 681 CG TYR A 46 -5.326 5.515 4.652 1.00 0.00 C ATOM 682 CD1 TYR A 46 -5.499 4.784 3.461 1.00 0.00 C ATOM 683 CD2 TYR A 46 -6.451 6.027 5.326 1.00 0.00 C ATOM 684 CE1 TYR A 46 -6.787 4.556 2.946 1.00 0.00 C ATOM 685 CE2 TYR A 46 -7.743 5.793 4.825 1.00 0.00 C ATOM 686 CZ TYR A 46 -7.915 5.051 3.636 1.00 0.00 C ATOM 687 OH TYR A 46 -9.166 4.809 3.157 1.00 0.00 O ATOM 0 H TYR A 46 -1.732 7.646 5.568 1.00 0.00 H new ATOM 0 HA TYR A 46 -2.849 6.046 3.374 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -3.460 4.790 5.387 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -4.022 6.254 6.169 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -4.636 4.396 2.940 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -6.321 6.602 6.231 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -6.913 4.004 2.026 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -8.604 6.181 5.349 1.00 0.00 H new ATOM 0 HH TYR A 46 -9.831 5.120 3.806 1.00 0.00 H new ATOM 697 N ASP A 47 -4.346 8.001 2.842 1.00 0.00 N ATOM 698 CA ASP A 47 -5.023 9.174 2.313 1.00 0.00 C ATOM 699 C ASP A 47 -6.375 8.698 1.783 1.00 0.00 C ATOM 700 O ASP A 47 -6.481 8.296 0.622 1.00 0.00 O ATOM 701 CB ASP A 47 -4.217 9.818 1.166 1.00 0.00 C ATOM 702 CG ASP A 47 -2.966 10.591 1.579 1.00 0.00 C ATOM 703 OD1 ASP A 47 -1.974 9.978 2.044 1.00 0.00 O ATOM 704 OD2 ASP A 47 -2.911 11.813 1.314 1.00 0.00 O ATOM 0 H ASP A 47 -4.473 7.182 2.247 1.00 0.00 H new ATOM 0 HA ASP A 47 -5.134 9.927 3.093 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -3.922 9.033 0.470 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -4.875 10.495 0.621 1.00 0.00 H new ATOM 709 N ASP A 48 -7.427 8.730 2.606 1.00 0.00 N ATOM 710 CA ASP A 48 -8.775 8.293 2.210 1.00 0.00 C ATOM 711 C ASP A 48 -9.307 9.100 1.032 1.00 0.00 C ATOM 712 O ASP A 48 -10.000 8.574 0.162 1.00 0.00 O ATOM 713 CB ASP A 48 -9.765 8.433 3.366 1.00 0.00 C ATOM 714 CG ASP A 48 -10.906 7.426 3.218 1.00 0.00 C ATOM 715 OD1 ASP A 48 -11.744 7.521 2.290 1.00 0.00 O ATOM 716 OD2 ASP A 48 -10.937 6.480 4.036 1.00 0.00 O ATOM 0 H ASP A 48 -7.371 9.060 3.569 1.00 0.00 H new ATOM 0 HA ASP A 48 -8.683 7.246 1.922 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -9.251 8.273 4.314 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -10.167 9.446 3.388 1.00 0.00 H new ATOM 721 N ALA A 49 -8.908 10.369 0.964 1.00 0.00 N ATOM 722 CA ALA A 49 -9.283 11.337 -0.066 1.00 0.00 C ATOM 723 C ALA A 49 -9.027 10.837 -1.493 1.00 0.00 C ATOM 724 O ALA A 49 -9.636 11.312 -2.455 1.00 0.00 O ATOM 725 CB ALA A 49 -8.436 12.574 0.173 1.00 0.00 C ATOM 0 H ALA A 49 -8.282 10.771 1.662 1.00 0.00 H new ATOM 0 HA ALA A 49 -10.354 11.526 0.009 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -8.679 13.331 -0.573 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -8.640 12.968 1.169 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -7.381 12.313 0.095 1.00 0.00 H new ATOM 731 N THR A 50 -8.095 9.905 -1.643 1.00 0.00 N ATOM 732 CA THR A 50 -7.714 9.277 -2.904 1.00 0.00 C ATOM 733 C THR A 50 -7.589 7.747 -2.729 1.00 0.00 C ATOM 734 O THR A 50 -7.321 7.029 -3.691 1.00 0.00 O ATOM 735 CB THR A 50 -6.459 10.008 -3.432 1.00 0.00 C ATOM 736 OG1 THR A 50 -6.060 9.562 -4.708 1.00 0.00 O ATOM 737 CG2 THR A 50 -5.260 9.898 -2.485 1.00 0.00 C ATOM 0 H THR A 50 -7.558 9.549 -0.852 1.00 0.00 H new ATOM 0 HA THR A 50 -8.479 9.382 -3.673 1.00 0.00 H new ATOM 0 HB THR A 50 -6.766 11.052 -3.498 1.00 0.00 H new ATOM 0 HG1 THR A 50 -6.372 8.643 -4.846 1.00 0.00 H new ATOM 0 HG21 THR A 50 -4.410 10.431 -2.911 1.00 0.00 H new ATOM 0 HG22 THR A 50 -5.517 10.336 -1.520 1.00 0.00 H new ATOM 0 HG23 THR A 50 -4.999 8.849 -2.349 1.00 0.00 H new ATOM 745 N LYS A 51 -7.890 7.239 -1.526 1.00 0.00 N ATOM 746 CA LYS A 51 -7.821 5.848 -1.085 1.00 0.00 C ATOM 747 C LYS A 51 -6.470 5.260 -1.458 1.00 0.00 C ATOM 748 O LYS A 51 -6.384 4.232 -2.130 1.00 0.00 O ATOM 749 CB LYS A 51 -9.019 5.028 -1.569 1.00 0.00 C ATOM 750 CG LYS A 51 -10.306 5.504 -0.889 1.00 0.00 C ATOM 751 CD LYS A 51 -11.352 4.397 -0.983 1.00 0.00 C ATOM 752 CE LYS A 51 -12.646 4.715 -0.230 1.00 0.00 C ATOM 753 NZ LYS A 51 -12.459 5.003 1.213 1.00 0.00 N ATOM 0 H LYS A 51 -8.216 7.848 -0.775 1.00 0.00 H new ATOM 0 HA LYS A 51 -7.895 5.811 0.002 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -9.117 5.120 -2.651 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -8.856 3.972 -1.353 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -10.112 5.752 0.155 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -10.673 6.411 -1.369 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -11.586 4.217 -2.032 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -10.929 3.473 -0.588 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -13.124 5.574 -0.701 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -13.330 3.872 -0.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -13.344 4.809 1.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -11.701 4.400 1.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -12.200 6.003 1.337 1.00 0.00 H new ATOM 767 N THR A 52 -5.420 5.897 -0.954 1.00 0.00 N ATOM 768 CA THR A 52 -4.062 5.484 -1.228 1.00 0.00 C ATOM 769 C THR A 52 -3.285 5.310 0.065 1.00 0.00 C ATOM 770 O THR A 52 -3.550 5.984 1.057 1.00 0.00 O ATOM 771 CB THR A 52 -3.434 6.523 -2.168 1.00 0.00 C ATOM 772 OG1 THR A 52 -4.249 6.615 -3.319 1.00 0.00 O ATOM 773 CG2 THR A 52 -2.022 6.173 -2.622 1.00 0.00 C ATOM 0 H THR A 52 -5.493 6.712 -0.346 1.00 0.00 H new ATOM 0 HA THR A 52 -4.041 4.512 -1.720 1.00 0.00 H new ATOM 0 HB THR A 52 -3.368 7.458 -1.612 1.00 0.00 H new ATOM 0 HG1 THR A 52 -3.870 7.275 -3.936 1.00 0.00 H new ATOM 0 HG21 THR A 52 -1.648 6.955 -3.283 1.00 0.00 H new ATOM 0 HG22 THR A 52 -1.370 6.090 -1.752 1.00 0.00 H new ATOM 0 HG23 THR A 52 -2.037 5.223 -3.156 1.00 0.00 H new ATOM 781 N PHE A 53 -2.319 4.403 0.034 1.00 0.00 N ATOM 782 CA PHE A 53 -1.407 4.056 1.100 1.00 0.00 C ATOM 783 C PHE A 53 -0.007 4.284 0.546 1.00 0.00 C ATOM 784 O PHE A 53 0.224 3.988 -0.628 1.00 0.00 O ATOM 785 CB PHE A 53 -1.573 2.573 1.440 1.00 0.00 C ATOM 786 CG PHE A 53 -2.796 2.233 2.256 1.00 0.00 C ATOM 787 CD1 PHE A 53 -2.747 2.261 3.661 1.00 0.00 C ATOM 788 CD2 PHE A 53 -3.951 1.784 1.601 1.00 0.00 C ATOM 789 CE1 PHE A 53 -3.844 1.801 4.412 1.00 0.00 C ATOM 790 CE2 PHE A 53 -5.042 1.306 2.349 1.00 0.00 C ATOM 791 CZ PHE A 53 -4.987 1.310 3.756 1.00 0.00 C ATOM 0 H PHE A 53 -2.144 3.851 -0.806 1.00 0.00 H new ATOM 0 HA PHE A 53 -1.591 4.647 1.997 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -1.607 2.005 0.510 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -0.689 2.240 1.984 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -1.867 2.636 4.163 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -4.003 1.805 0.522 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -3.808 1.825 5.491 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -5.922 0.936 1.844 1.00 0.00 H new ATOM 0 HZ PHE A 53 -5.822 0.936 4.331 1.00 0.00 H new ATOM 801 N THR A 54 0.918 4.800 1.349 1.00 0.00 N ATOM 802 CA THR A 54 2.290 5.029 0.919 1.00 0.00 C ATOM 803 C THR A 54 3.188 4.439 2.000 1.00 0.00 C ATOM 804 O THR A 54 2.940 4.687 3.180 1.00 0.00 O ATOM 805 CB THR A 54 2.566 6.523 0.680 1.00 0.00 C ATOM 806 OG1 THR A 54 1.606 7.109 -0.182 1.00 0.00 O ATOM 807 CG2 THR A 54 3.939 6.726 0.044 1.00 0.00 C ATOM 0 H THR A 54 0.736 5.071 2.316 1.00 0.00 H new ATOM 0 HA THR A 54 2.486 4.547 -0.039 1.00 0.00 H new ATOM 0 HB THR A 54 2.518 7.001 1.658 1.00 0.00 H new ATOM 0 HG1 THR A 54 1.815 8.058 -0.307 1.00 0.00 H new ATOM 0 HG21 THR A 54 4.112 7.790 -0.116 1.00 0.00 H new ATOM 0 HG22 THR A 54 4.709 6.328 0.705 1.00 0.00 H new ATOM 0 HG23 THR A 54 3.978 6.205 -0.912 1.00 0.00 H new ATOM 815 N VAL A 55 4.173 3.620 1.639 1.00 0.00 N ATOM 816 CA VAL A 55 5.099 3.016 2.596 1.00 0.00 C ATOM 817 C VAL A 55 6.482 3.597 2.316 1.00 0.00 C ATOM 818 O VAL A 55 7.063 3.337 1.262 1.00 0.00 O ATOM 819 CB VAL A 55 4.996 1.481 2.601 1.00 0.00 C ATOM 820 CG1 VAL A 55 5.111 0.825 1.227 1.00 0.00 C ATOM 821 CG2 VAL A 55 6.038 0.872 3.549 1.00 0.00 C ATOM 0 H VAL A 55 4.353 3.355 0.671 1.00 0.00 H new ATOM 0 HA VAL A 55 4.845 3.268 3.626 1.00 0.00 H new ATOM 0 HB VAL A 55 3.986 1.270 2.952 1.00 0.00 H new ATOM 0 HG11 VAL A 55 5.027 -0.257 1.332 1.00 0.00 H new ATOM 0 HG12 VAL A 55 4.312 1.190 0.581 1.00 0.00 H new ATOM 0 HG13 VAL A 55 6.076 1.072 0.785 1.00 0.00 H new ATOM 0 HG21 VAL A 55 5.949 -0.214 3.538 1.00 0.00 H new ATOM 0 HG22 VAL A 55 7.038 1.157 3.222 1.00 0.00 H new ATOM 0 HG23 VAL A 55 5.868 1.240 4.561 1.00 0.00 H new ATOM 831 N THR A 56 6.972 4.438 3.223 1.00 0.00 N ATOM 832 CA THR A 56 8.266 5.098 3.114 1.00 0.00 C ATOM 833 C THR A 56 9.299 4.228 3.841 1.00 0.00 C ATOM 834 O THR A 56 9.339 4.244 5.071 1.00 0.00 O ATOM 835 CB THR A 56 8.228 6.513 3.718 1.00 0.00 C ATOM 836 OG1 THR A 56 6.915 7.055 3.755 1.00 0.00 O ATOM 837 CG2 THR A 56 9.139 7.426 2.890 1.00 0.00 C ATOM 0 H THR A 56 6.466 4.684 4.074 1.00 0.00 H new ATOM 0 HA THR A 56 8.533 5.211 2.063 1.00 0.00 H new ATOM 0 HB THR A 56 8.575 6.447 4.749 1.00 0.00 H new ATOM 0 HG1 THR A 56 6.943 7.952 4.148 1.00 0.00 H new ATOM 0 HG21 THR A 56 9.121 8.433 3.307 1.00 0.00 H new ATOM 0 HG22 THR A 56 10.158 7.041 2.914 1.00 0.00 H new ATOM 0 HG23 THR A 56 8.786 7.454 1.859 1.00 0.00 H new ATOM 845 N GLU A 57 10.058 3.414 3.106 1.00 0.00 N ATOM 846 CA GLU A 57 11.094 2.496 3.602 1.00 0.00 C ATOM 847 C GLU A 57 12.236 3.227 4.313 1.00 0.00 C ATOM 848 O GLU A 57 13.272 2.598 4.615 1.00 0.00 O ATOM 849 CB GLU A 57 11.620 1.713 2.401 1.00 0.00 C ATOM 850 CG GLU A 57 12.320 0.374 2.652 1.00 0.00 C ATOM 851 CD GLU A 57 13.480 0.186 1.643 1.00 0.00 C ATOM 852 OE1 GLU A 57 13.350 0.609 0.468 1.00 0.00 O ATOM 853 OE2 GLU A 57 14.567 -0.288 2.062 1.00 0.00 O ATOM 0 H GLU A 57 9.964 3.372 2.091 1.00 0.00 H new ATOM 0 HA GLU A 57 10.658 1.830 4.347 1.00 0.00 H new ATOM 0 HB2 GLU A 57 10.780 1.528 1.732 1.00 0.00 H new ATOM 0 HB3 GLU A 57 12.318 2.357 1.865 1.00 0.00 H new ATOM 0 HG2 GLU A 57 12.705 0.341 3.671 1.00 0.00 H new ATOM 0 HG3 GLU A 57 11.606 -0.443 2.554 1.00 0.00 H new