USER MOD reduce.3.24.130724 H: found=0, std=0, add=610, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 609 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 52 LYS NZ :NH3+ -108:sc= 1.32 (180deg=-3.39!) USER MOD Set 1.2: A 80 TYR OH : rot -158:sc= -0.215 USER MOD Single : A 1 ALA N :NH3+ -138:sc= 0.726 (180deg=-1.76!) USER MOD Single : A 5 LYS NZ :NH3+ -136:sc= 0.789 (180deg=0.536) USER MOD Single : A 14 HIS : no HE2:sc= -0.408 K(o=-0.41,f=-4.9!) USER MOD Single : A 20 LYS NZ :NH3+ -142:sc= 0.3 (180deg=-2.97!) USER MOD Single : A 24 LYS NZ :NH3+ 162:sc= -0.037 (180deg=-0.436) USER MOD Single : A 30 ASN : amide:sc= 0.916 K(o=0.92,f=-0.29) USER MOD Single : A 36 CYS SG : rot -75:sc= -0.197 USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 ASN : amide:sc= -1.19 X(o=-1.2,f=-1.7) USER MOD Single : A 42 LYS NZ :NH3+ 148:sc= 0.373 (180deg=-2.31!) USER MOD Single : A 49 SER OG : rot 45:sc= -0.741 USER MOD Single : A 54 LYS NZ :NH3+ -132:sc= -4.05! (180deg=-6.85!) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 41:sc= 0.517 USER MOD Single : A 70 GLN : amide:sc= -0.0719 K(o=-0.072,f=-0.68) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.198 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 0.793 -12.743 1.721 1.00 0.00 N ATOM 2 CA ALA A 1 2.100 -12.133 1.333 1.00 0.00 C ATOM 3 C ALA A 1 2.071 -10.961 2.287 1.00 0.00 C ATOM 4 O ALA A 1 1.761 -11.180 3.440 1.00 0.00 O ATOM 5 CB ALA A 1 2.115 -11.610 -0.137 1.00 0.00 C ATOM 0 H1 ALA A 1 0.895 -13.777 1.776 1.00 0.00 H new ATOM 0 H2 ALA A 1 0.500 -12.375 2.648 1.00 0.00 H new ATOM 0 H3 ALA A 1 0.073 -12.503 1.010 1.00 0.00 H new ATOM 0 HA ALA A 1 2.953 -12.810 1.382 1.00 0.00 H new ATOM 0 HB1 ALA A 1 3.091 -11.178 -0.360 1.00 0.00 H new ATOM 0 HB2 ALA A 1 1.920 -12.437 -0.819 1.00 0.00 H new ATOM 0 HB3 ALA A 1 1.345 -10.849 -0.260 1.00 0.00 H new ATOM 13 N PHE A 2 2.407 -9.798 1.821 1.00 0.00 N ATOM 14 CA PHE A 2 2.367 -8.624 2.714 1.00 0.00 C ATOM 15 C PHE A 2 1.298 -7.887 1.917 1.00 0.00 C ATOM 16 O PHE A 2 1.600 -7.199 0.954 1.00 0.00 O ATOM 17 CB PHE A 2 3.657 -7.752 2.738 1.00 0.00 C ATOM 18 CG PHE A 2 3.522 -7.004 4.072 1.00 0.00 C ATOM 19 CD1 PHE A 2 3.872 -7.660 5.234 1.00 0.00 C ATOM 20 CD2 PHE A 2 3.025 -5.714 4.148 1.00 0.00 C ATOM 21 CE1 PHE A 2 3.728 -7.044 6.453 1.00 0.00 C ATOM 22 CE2 PHE A 2 2.880 -5.095 5.372 1.00 0.00 C ATOM 23 CZ PHE A 2 3.230 -5.762 6.527 1.00 0.00 C ATOM 0 H PHE A 2 2.706 -9.613 0.864 1.00 0.00 H new ATOM 0 HA PHE A 2 2.221 -8.859 3.768 1.00 0.00 H new ATOM 0 HB2 PHE A 2 4.560 -8.361 2.703 1.00 0.00 H new ATOM 0 HB3 PHE A 2 3.701 -7.068 1.891 1.00 0.00 H new ATOM 0 HD1 PHE A 2 4.262 -8.666 5.185 1.00 0.00 H new ATOM 0 HD2 PHE A 2 2.750 -5.190 3.245 1.00 0.00 H new ATOM 0 HE1 PHE A 2 4.006 -7.566 7.356 1.00 0.00 H new ATOM 0 HE2 PHE A 2 2.493 -4.088 5.426 1.00 0.00 H new ATOM 0 HZ PHE A 2 3.114 -5.281 7.487 1.00 0.00 H new ATOM 33 N GLU A 3 0.087 -8.110 2.339 1.00 0.00 N ATOM 34 CA GLU A 3 -1.109 -7.493 1.709 1.00 0.00 C ATOM 35 C GLU A 3 -1.117 -5.981 1.975 1.00 0.00 C ATOM 36 O GLU A 3 -0.207 -5.449 2.580 1.00 0.00 O ATOM 37 CB GLU A 3 -2.349 -8.230 2.303 1.00 0.00 C ATOM 38 CG GLU A 3 -2.496 -9.641 1.613 1.00 0.00 C ATOM 39 CD GLU A 3 -1.249 -10.510 1.705 1.00 0.00 C ATOM 40 OE1 GLU A 3 -0.820 -10.734 2.812 1.00 0.00 O ATOM 41 OE2 GLU A 3 -0.719 -10.963 0.707 1.00 0.00 O ATOM 0 H GLU A 3 -0.129 -8.720 3.127 1.00 0.00 H new ATOM 0 HA GLU A 3 -1.114 -7.601 0.624 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -2.234 -8.349 3.380 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -3.250 -7.638 2.142 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -3.331 -10.172 2.070 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -2.748 -9.496 0.563 1.00 0.00 H new ATOM 48 N PHE A 4 -2.154 -5.324 1.513 1.00 0.00 N ATOM 49 CA PHE A 4 -2.249 -3.830 1.711 1.00 0.00 C ATOM 50 C PHE A 4 -3.333 -3.370 2.691 1.00 0.00 C ATOM 51 O PHE A 4 -3.156 -2.350 3.322 1.00 0.00 O ATOM 52 CB PHE A 4 -2.495 -3.138 0.329 1.00 0.00 C ATOM 53 CG PHE A 4 -2.462 -1.589 0.455 1.00 0.00 C ATOM 54 CD1 PHE A 4 -1.325 -0.937 0.903 1.00 0.00 C ATOM 55 CD2 PHE A 4 -3.563 -0.815 0.114 1.00 0.00 C ATOM 56 CE1 PHE A 4 -1.287 0.439 1.013 1.00 0.00 C ATOM 57 CE2 PHE A 4 -3.527 0.565 0.225 1.00 0.00 C ATOM 58 CZ PHE A 4 -2.386 1.193 0.672 1.00 0.00 C ATOM 0 H PHE A 4 -2.935 -5.747 1.011 1.00 0.00 H new ATOM 0 HA PHE A 4 -1.298 -3.537 2.155 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -1.736 -3.463 -0.382 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -3.460 -3.451 -0.070 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -0.453 -1.515 1.171 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -4.461 -1.296 -0.243 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -0.391 0.925 1.368 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -4.396 1.150 -0.040 1.00 0.00 H new ATOM 0 HZ PHE A 4 -2.354 2.269 0.754 1.00 0.00 H new ATOM 68 N LYS A 5 -4.426 -4.075 2.832 1.00 0.00 N ATOM 69 CA LYS A 5 -5.477 -3.628 3.785 1.00 0.00 C ATOM 70 C LYS A 5 -5.704 -4.861 4.651 1.00 0.00 C ATOM 71 O LYS A 5 -5.274 -5.944 4.299 1.00 0.00 O ATOM 72 CB LYS A 5 -6.768 -3.298 3.064 1.00 0.00 C ATOM 73 CG LYS A 5 -6.586 -2.157 2.010 1.00 0.00 C ATOM 74 CD LYS A 5 -6.757 -0.784 2.739 1.00 0.00 C ATOM 75 CE LYS A 5 -7.177 0.311 1.713 1.00 0.00 C ATOM 76 NZ LYS A 5 -7.706 1.526 2.421 1.00 0.00 N ATOM 0 H LYS A 5 -4.633 -4.938 2.329 1.00 0.00 H new ATOM 0 HA LYS A 5 -5.182 -2.734 4.334 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -7.142 -4.193 2.566 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -7.522 -3.000 3.792 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -5.601 -2.221 1.547 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -7.321 -2.257 1.211 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -7.510 -0.869 3.522 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -5.823 -0.501 3.225 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -6.321 0.587 1.097 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -7.939 -0.085 1.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -8.566 1.860 1.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -7.931 1.283 3.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -6.987 2.277 2.405 1.00 0.00 H new ATOM 90 N LEU A 6 -6.382 -4.661 5.739 1.00 0.00 N ATOM 91 CA LEU A 6 -6.678 -5.768 6.684 1.00 0.00 C ATOM 92 C LEU A 6 -8.182 -6.042 6.538 1.00 0.00 C ATOM 93 O LEU A 6 -8.815 -5.474 5.667 1.00 0.00 O ATOM 94 CB LEU A 6 -6.301 -5.249 8.084 1.00 0.00 C ATOM 95 CG LEU A 6 -4.808 -4.775 8.123 1.00 0.00 C ATOM 96 CD1 LEU A 6 -4.470 -4.266 9.543 1.00 0.00 C ATOM 97 CD2 LEU A 6 -3.841 -5.927 7.751 1.00 0.00 C ATOM 0 H LEU A 6 -6.753 -3.754 6.021 1.00 0.00 H new ATOM 0 HA LEU A 6 -6.130 -6.693 6.502 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -6.956 -4.422 8.358 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -6.456 -6.036 8.822 1.00 0.00 H new ATOM 0 HG LEU A 6 -4.685 -3.975 7.393 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -3.432 -3.935 9.573 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -5.124 -3.431 9.796 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -4.615 -5.072 10.263 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -2.813 -5.565 7.787 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -3.963 -6.747 8.459 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -4.066 -6.280 6.745 1.00 0.00 H new ATOM 109 N PRO A 7 -8.738 -6.898 7.359 1.00 0.00 N ATOM 110 CA PRO A 7 -10.200 -6.900 7.617 1.00 0.00 C ATOM 111 C PRO A 7 -10.634 -5.488 8.065 1.00 0.00 C ATOM 112 O PRO A 7 -10.695 -5.223 9.248 1.00 0.00 O ATOM 113 CB PRO A 7 -10.390 -8.004 8.678 1.00 0.00 C ATOM 114 CG PRO A 7 -9.208 -8.972 8.367 1.00 0.00 C ATOM 115 CD PRO A 7 -8.048 -7.978 8.124 1.00 0.00 C ATOM 0 HA PRO A 7 -10.825 -7.116 6.751 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -10.335 -7.607 9.692 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -11.357 -8.498 8.582 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -9.002 -9.647 9.198 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -9.406 -9.593 7.493 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -7.620 -7.611 9.057 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -7.234 -8.428 7.555 1.00 0.00 H new ATOM 123 N ASP A 8 -10.894 -4.669 7.088 1.00 0.00 N ATOM 124 CA ASP A 8 -11.331 -3.260 7.263 1.00 0.00 C ATOM 125 C ASP A 8 -12.667 -3.254 6.522 1.00 0.00 C ATOM 126 O ASP A 8 -13.709 -3.257 7.134 1.00 0.00 O ATOM 127 CB ASP A 8 -10.274 -2.406 6.594 1.00 0.00 C ATOM 128 CG ASP A 8 -10.655 -0.932 6.517 1.00 0.00 C ATOM 129 OD1 ASP A 8 -11.576 -0.685 5.755 1.00 0.00 O ATOM 130 OD2 ASP A 8 -10.014 -0.145 7.183 1.00 0.00 O ATOM 0 H ASP A 8 -10.814 -4.943 6.109 1.00 0.00 H new ATOM 0 HA ASP A 8 -11.446 -2.889 8.281 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -9.336 -2.504 7.141 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -10.096 -2.782 5.586 1.00 0.00 H new ATOM 135 N ILE A 9 -12.583 -3.267 5.222 1.00 0.00 N ATOM 136 CA ILE A 9 -13.772 -3.274 4.310 1.00 0.00 C ATOM 137 C ILE A 9 -15.023 -2.555 4.866 1.00 0.00 C ATOM 138 O ILE A 9 -16.127 -3.011 4.633 1.00 0.00 O ATOM 139 CB ILE A 9 -14.151 -4.793 3.960 1.00 0.00 C ATOM 140 CG1 ILE A 9 -14.486 -5.582 5.278 1.00 0.00 C ATOM 141 CG2 ILE A 9 -12.993 -5.523 3.214 1.00 0.00 C ATOM 142 CD1 ILE A 9 -14.961 -7.017 4.951 1.00 0.00 C ATOM 0 H ILE A 9 -11.692 -3.273 4.725 1.00 0.00 H new ATOM 0 HA ILE A 9 -13.475 -2.711 3.425 1.00 0.00 H new ATOM 0 HB ILE A 9 -15.021 -4.767 3.304 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -13.604 -5.622 5.917 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -15.260 -5.056 5.836 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -13.290 -6.549 2.996 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -12.775 -5.002 2.282 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -12.102 -5.530 3.842 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -15.187 -7.545 5.877 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -15.856 -6.971 4.331 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -14.174 -7.547 4.414 1.00 0.00 H new ATOM 154 N GLY A 10 -14.840 -1.454 5.545 1.00 0.00 N ATOM 155 CA GLY A 10 -16.014 -0.734 6.097 1.00 0.00 C ATOM 156 C GLY A 10 -15.801 -0.277 7.533 1.00 0.00 C ATOM 157 O GLY A 10 -16.102 0.867 7.837 1.00 0.00 O ATOM 0 H GLY A 10 -13.934 -1.028 5.738 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -16.230 0.133 5.472 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -16.888 -1.384 6.053 1.00 0.00 H new ATOM 161 N GLU A 11 -15.310 -1.127 8.388 1.00 0.00 N ATOM 162 CA GLU A 11 -15.083 -0.746 9.802 1.00 0.00 C ATOM 163 C GLU A 11 -14.074 0.390 9.986 1.00 0.00 C ATOM 164 O GLU A 11 -12.910 0.230 10.302 1.00 0.00 O ATOM 165 CB GLU A 11 -14.611 -1.937 10.507 1.00 0.00 C ATOM 166 CG GLU A 11 -15.726 -3.004 10.765 1.00 0.00 C ATOM 167 CD GLU A 11 -16.546 -3.314 9.518 1.00 0.00 C ATOM 168 OE1 GLU A 11 -17.487 -2.569 9.308 1.00 0.00 O ATOM 169 OE2 GLU A 11 -16.177 -4.265 8.865 1.00 0.00 O ATOM 0 H GLU A 11 -15.053 -2.087 8.159 1.00 0.00 H new ATOM 0 HA GLU A 11 -16.025 -0.372 10.202 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -13.809 -2.396 9.928 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -14.182 -1.636 11.463 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -15.266 -3.923 11.130 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -16.390 -2.646 11.552 1.00 0.00 H new ATOM 176 N GLY A 12 -14.604 1.534 9.786 1.00 0.00 N ATOM 177 CA GLY A 12 -13.856 2.815 9.899 1.00 0.00 C ATOM 178 C GLY A 12 -13.806 3.442 8.517 1.00 0.00 C ATOM 179 O GLY A 12 -14.413 4.468 8.287 1.00 0.00 O ATOM 0 H GLY A 12 -15.585 1.656 9.533 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -14.347 3.484 10.605 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -12.849 2.638 10.276 1.00 0.00 H new ATOM 183 N ILE A 13 -13.085 2.820 7.633 1.00 0.00 N ATOM 184 CA ILE A 13 -12.957 3.342 6.247 1.00 0.00 C ATOM 185 C ILE A 13 -13.332 2.164 5.330 1.00 0.00 C ATOM 186 O ILE A 13 -13.795 1.141 5.793 1.00 0.00 O ATOM 187 CB ILE A 13 -11.493 3.861 6.114 1.00 0.00 C ATOM 188 CG1 ILE A 13 -11.223 5.080 7.077 1.00 0.00 C ATOM 189 CG2 ILE A 13 -11.051 4.247 4.674 1.00 0.00 C ATOM 190 CD1 ILE A 13 -12.141 6.287 6.735 1.00 0.00 C ATOM 0 H ILE A 13 -12.570 1.958 7.814 1.00 0.00 H new ATOM 0 HA ILE A 13 -13.606 4.176 5.979 1.00 0.00 H new ATOM 0 HB ILE A 13 -10.889 3.001 6.401 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -11.391 4.774 8.110 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -10.179 5.382 7.000 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -10.018 4.595 4.691 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -11.130 3.376 4.023 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -11.695 5.041 4.296 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -11.929 7.110 7.417 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -11.954 6.608 5.710 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -13.185 5.991 6.837 1.00 0.00 H new ATOM 202 N HIS A 14 -13.153 2.351 4.053 1.00 0.00 N ATOM 203 CA HIS A 14 -13.467 1.290 3.056 1.00 0.00 C ATOM 204 C HIS A 14 -12.471 1.302 1.904 1.00 0.00 C ATOM 205 O HIS A 14 -11.892 0.292 1.552 1.00 0.00 O ATOM 206 CB HIS A 14 -14.923 1.502 2.516 1.00 0.00 C ATOM 207 CG HIS A 14 -15.281 2.998 2.461 1.00 0.00 C ATOM 208 ND1 HIS A 14 -15.125 3.803 1.458 1.00 0.00 N ATOM 209 CD2 HIS A 14 -15.832 3.794 3.457 1.00 0.00 C ATOM 210 CE1 HIS A 14 -15.535 4.986 1.795 1.00 0.00 C ATOM 211 NE2 HIS A 14 -15.979 5.027 3.021 1.00 0.00 N ATOM 0 H HIS A 14 -12.793 3.216 3.649 1.00 0.00 H new ATOM 0 HA HIS A 14 -13.394 0.319 3.546 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -15.012 1.067 1.521 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -15.632 0.979 3.157 1.00 0.00 H new ATOM 0 HD1 HIS A 14 -14.741 3.547 0.548 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -16.101 3.451 4.445 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -15.512 5.841 1.135 1.00 0.00 H new ATOM 219 N GLU A 15 -12.270 2.451 1.328 1.00 0.00 N ATOM 220 CA GLU A 15 -11.317 2.541 0.183 1.00 0.00 C ATOM 221 C GLU A 15 -9.955 3.136 0.485 1.00 0.00 C ATOM 222 O GLU A 15 -9.532 3.301 1.616 1.00 0.00 O ATOM 223 CB GLU A 15 -12.090 3.322 -0.932 1.00 0.00 C ATOM 224 CG GLU A 15 -12.663 4.676 -0.421 1.00 0.00 C ATOM 225 CD GLU A 15 -13.837 5.043 -1.318 1.00 0.00 C ATOM 226 OE1 GLU A 15 -14.768 4.257 -1.256 1.00 0.00 O ATOM 227 OE2 GLU A 15 -13.732 6.048 -1.986 1.00 0.00 O ATOM 0 H GLU A 15 -12.719 3.327 1.595 1.00 0.00 H new ATOM 0 HA GLU A 15 -11.033 1.535 -0.125 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -11.421 3.508 -1.772 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -12.906 2.703 -1.306 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -12.986 4.589 0.616 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -11.899 5.452 -0.453 1.00 0.00 H new ATOM 234 N GLY A 16 -9.277 3.393 -0.577 1.00 0.00 N ATOM 235 CA GLY A 16 -7.914 3.987 -0.566 1.00 0.00 C ATOM 236 C GLY A 16 -7.767 4.866 -1.805 1.00 0.00 C ATOM 237 O GLY A 16 -7.743 4.336 -2.899 1.00 0.00 O ATOM 0 H GLY A 16 -9.629 3.206 -1.516 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -7.764 4.577 0.338 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -7.157 3.202 -0.565 1.00 0.00 H new ATOM 241 N GLU A 17 -7.672 6.154 -1.631 1.00 0.00 N ATOM 242 CA GLU A 17 -7.524 7.087 -2.771 1.00 0.00 C ATOM 243 C GLU A 17 -6.017 7.339 -2.767 1.00 0.00 C ATOM 244 O GLU A 17 -5.504 8.205 -2.084 1.00 0.00 O ATOM 245 CB GLU A 17 -8.325 8.351 -2.460 1.00 0.00 C ATOM 246 CG GLU A 17 -8.405 9.284 -3.691 1.00 0.00 C ATOM 247 CD GLU A 17 -9.270 10.489 -3.327 1.00 0.00 C ATOM 248 OE1 GLU A 17 -8.847 11.202 -2.433 1.00 0.00 O ATOM 249 OE2 GLU A 17 -10.292 10.614 -3.972 1.00 0.00 O ATOM 0 H GLU A 17 -7.692 6.607 -0.717 1.00 0.00 H new ATOM 0 HA GLU A 17 -7.882 6.729 -3.736 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -9.331 8.077 -2.143 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -7.862 8.882 -1.628 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -7.407 9.609 -3.986 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -8.832 8.753 -4.542 1.00 0.00 H new ATOM 256 N ILE A 18 -5.335 6.543 -3.523 1.00 0.00 N ATOM 257 CA ILE A 18 -3.880 6.638 -3.643 1.00 0.00 C ATOM 258 C ILE A 18 -3.658 7.699 -4.718 1.00 0.00 C ATOM 259 O ILE A 18 -3.819 7.468 -5.906 1.00 0.00 O ATOM 260 CB ILE A 18 -3.422 5.250 -4.034 1.00 0.00 C ATOM 261 CG1 ILE A 18 -3.910 4.207 -2.979 1.00 0.00 C ATOM 262 CG2 ILE A 18 -1.943 5.323 -4.076 1.00 0.00 C ATOM 263 CD1 ILE A 18 -4.611 3.060 -3.700 1.00 0.00 C ATOM 0 H ILE A 18 -5.752 5.800 -4.084 1.00 0.00 H new ATOM 0 HA ILE A 18 -3.326 6.929 -2.750 1.00 0.00 H new ATOM 0 HB ILE A 18 -3.828 4.933 -4.994 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -3.064 3.829 -2.404 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -4.591 4.679 -2.271 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -1.538 4.350 -4.354 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -1.636 6.067 -4.811 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -1.565 5.606 -3.094 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -4.955 2.327 -2.970 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -5.465 3.447 -4.255 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -3.915 2.585 -4.391 1.00 0.00 H new ATOM 275 N VAL A 19 -3.281 8.844 -4.241 1.00 0.00 N ATOM 276 CA VAL A 19 -3.025 9.990 -5.132 1.00 0.00 C ATOM 277 C VAL A 19 -1.581 9.895 -5.594 1.00 0.00 C ATOM 278 O VAL A 19 -1.273 10.027 -6.759 1.00 0.00 O ATOM 279 CB VAL A 19 -3.237 11.286 -4.335 1.00 0.00 C ATOM 280 CG1 VAL A 19 -3.283 12.506 -5.283 1.00 0.00 C ATOM 281 CG2 VAL A 19 -4.488 11.188 -3.436 1.00 0.00 C ATOM 0 H VAL A 19 -3.137 9.034 -3.249 1.00 0.00 H new ATOM 0 HA VAL A 19 -3.695 9.986 -5.991 1.00 0.00 H new ATOM 0 HB VAL A 19 -2.386 11.429 -3.669 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -3.434 13.414 -4.700 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -2.343 12.578 -5.830 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -4.105 12.387 -5.989 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -4.613 12.119 -2.884 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -5.368 11.012 -4.055 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -4.368 10.363 -2.734 1.00 0.00 H new ATOM 291 N LYS A 20 -0.725 9.671 -4.641 1.00 0.00 N ATOM 292 CA LYS A 20 0.738 9.565 -4.933 1.00 0.00 C ATOM 293 C LYS A 20 1.366 8.284 -4.411 1.00 0.00 C ATOM 294 O LYS A 20 0.983 7.777 -3.371 1.00 0.00 O ATOM 295 CB LYS A 20 1.389 10.816 -4.285 1.00 0.00 C ATOM 296 CG LYS A 20 2.950 10.837 -4.160 1.00 0.00 C ATOM 297 CD LYS A 20 3.238 11.687 -2.903 1.00 0.00 C ATOM 298 CE LYS A 20 4.697 11.892 -2.574 1.00 0.00 C ATOM 299 NZ LYS A 20 4.753 12.811 -1.400 1.00 0.00 N ATOM 0 H LYS A 20 -0.974 9.555 -3.659 1.00 0.00 H new ATOM 0 HA LYS A 20 0.902 9.527 -6.010 1.00 0.00 H new ATOM 0 HB2 LYS A 20 1.086 11.690 -4.862 1.00 0.00 H new ATOM 0 HB3 LYS A 20 0.970 10.933 -3.286 1.00 0.00 H new ATOM 0 HG2 LYS A 20 3.351 9.829 -4.055 1.00 0.00 H new ATOM 0 HG3 LYS A 20 3.411 11.273 -5.046 1.00 0.00 H new ATOM 0 HD2 LYS A 20 2.773 12.664 -3.033 1.00 0.00 H new ATOM 0 HD3 LYS A 20 2.754 11.214 -2.048 1.00 0.00 H new ATOM 0 HE2 LYS A 20 5.178 10.941 -2.343 1.00 0.00 H new ATOM 0 HE3 LYS A 20 5.228 12.320 -3.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 5.555 13.464 -1.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 3.869 13.355 -1.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 4.875 12.255 -0.529 1.00 0.00 H new ATOM 313 N TRP A 21 2.325 7.827 -5.161 1.00 0.00 N ATOM 314 CA TRP A 21 3.077 6.598 -4.818 1.00 0.00 C ATOM 315 C TRP A 21 4.513 7.065 -4.730 1.00 0.00 C ATOM 316 O TRP A 21 4.821 8.214 -4.986 1.00 0.00 O ATOM 317 CB TRP A 21 3.011 5.523 -5.902 1.00 0.00 C ATOM 318 CG TRP A 21 2.079 4.404 -5.451 1.00 0.00 C ATOM 319 CD1 TRP A 21 0.826 4.260 -5.938 1.00 0.00 C ATOM 320 CD2 TRP A 21 2.347 3.412 -4.555 1.00 0.00 C ATOM 321 NE1 TRP A 21 0.402 3.186 -5.314 1.00 0.00 N ATOM 322 CE2 TRP A 21 1.228 2.606 -4.470 1.00 0.00 C ATOM 323 CE3 TRP A 21 3.439 3.091 -3.759 1.00 0.00 C ATOM 324 CZ2 TRP A 21 1.192 1.511 -3.643 1.00 0.00 C ATOM 325 CZ3 TRP A 21 3.403 2.000 -2.926 1.00 0.00 C ATOM 326 CH2 TRP A 21 2.287 1.206 -2.866 1.00 0.00 C ATOM 0 H TRP A 21 2.627 8.273 -6.027 1.00 0.00 H new ATOM 0 HA TRP A 21 2.668 6.151 -3.912 1.00 0.00 H new ATOM 0 HB2 TRP A 21 2.653 5.955 -6.836 1.00 0.00 H new ATOM 0 HB3 TRP A 21 4.007 5.125 -6.096 1.00 0.00 H new ATOM 0 HD1 TRP A 21 0.306 4.874 -6.658 1.00 0.00 H new ATOM 0 HE1 TRP A 21 -0.534 2.815 -5.477 1.00 0.00 H new ATOM 0 HE3 TRP A 21 4.326 3.706 -3.796 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 0.308 0.891 -3.602 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 4.261 1.765 -2.313 1.00 0.00 H new ATOM 0 HH2 TRP A 21 2.267 0.346 -2.213 1.00 0.00 H new ATOM 337 N PHE A 22 5.318 6.120 -4.368 1.00 0.00 N ATOM 338 CA PHE A 22 6.778 6.322 -4.198 1.00 0.00 C ATOM 339 C PHE A 22 7.590 5.368 -5.048 1.00 0.00 C ATOM 340 O PHE A 22 8.649 5.707 -5.532 1.00 0.00 O ATOM 341 CB PHE A 22 7.117 6.109 -2.739 1.00 0.00 C ATOM 342 CG PHE A 22 6.513 7.262 -1.929 1.00 0.00 C ATOM 343 CD1 PHE A 22 5.147 7.476 -1.796 1.00 0.00 C ATOM 344 CD2 PHE A 22 7.378 8.114 -1.312 1.00 0.00 C ATOM 345 CE1 PHE A 22 4.664 8.538 -1.052 1.00 0.00 C ATOM 346 CE2 PHE A 22 6.920 9.159 -0.569 1.00 0.00 C ATOM 347 CZ PHE A 22 5.560 9.383 -0.433 1.00 0.00 C ATOM 0 H PHE A 22 5.010 5.167 -4.173 1.00 0.00 H new ATOM 0 HA PHE A 22 7.027 7.333 -4.519 1.00 0.00 H new ATOM 0 HB2 PHE A 22 6.721 5.154 -2.393 1.00 0.00 H new ATOM 0 HB3 PHE A 22 8.198 6.074 -2.602 1.00 0.00 H new ATOM 0 HD1 PHE A 22 4.453 6.805 -2.280 1.00 0.00 H new ATOM 0 HD2 PHE A 22 8.442 7.959 -1.413 1.00 0.00 H new ATOM 0 HE1 PHE A 22 3.601 8.702 -0.958 1.00 0.00 H new ATOM 0 HE2 PHE A 22 7.623 9.819 -0.082 1.00 0.00 H new ATOM 0 HZ PHE A 22 5.203 10.216 0.155 1.00 0.00 H new ATOM 357 N VAL A 23 7.082 4.180 -5.200 1.00 0.00 N ATOM 358 CA VAL A 23 7.800 3.165 -6.008 1.00 0.00 C ATOM 359 C VAL A 23 7.172 2.981 -7.377 1.00 0.00 C ATOM 360 O VAL A 23 6.150 3.567 -7.675 1.00 0.00 O ATOM 361 CB VAL A 23 7.784 1.870 -5.232 1.00 0.00 C ATOM 362 CG1 VAL A 23 8.305 2.232 -3.842 1.00 0.00 C ATOM 363 CG2 VAL A 23 6.380 1.238 -5.150 1.00 0.00 C ATOM 0 H VAL A 23 6.198 3.869 -4.798 1.00 0.00 H new ATOM 0 HA VAL A 23 8.823 3.497 -6.184 1.00 0.00 H new ATOM 0 HB VAL A 23 8.399 1.117 -5.726 1.00 0.00 H new ATOM 0 HG11 VAL A 23 8.323 1.340 -3.216 1.00 0.00 H new ATOM 0 HG12 VAL A 23 9.313 2.637 -3.926 1.00 0.00 H new ATOM 0 HG13 VAL A 23 7.651 2.978 -3.391 1.00 0.00 H new ATOM 0 HG21 VAL A 23 6.431 0.310 -4.581 1.00 0.00 H new ATOM 0 HG22 VAL A 23 5.698 1.930 -4.656 1.00 0.00 H new ATOM 0 HG23 VAL A 23 6.017 1.027 -6.156 1.00 0.00 H new ATOM 373 N LYS A 24 7.818 2.148 -8.144 1.00 0.00 N ATOM 374 CA LYS A 24 7.329 1.873 -9.526 1.00 0.00 C ATOM 375 C LYS A 24 7.418 0.422 -10.050 1.00 0.00 C ATOM 376 O LYS A 24 8.092 0.174 -11.027 1.00 0.00 O ATOM 377 CB LYS A 24 8.100 2.878 -10.469 1.00 0.00 C ATOM 378 CG LYS A 24 9.628 3.010 -10.113 1.00 0.00 C ATOM 379 CD LYS A 24 10.380 1.683 -10.431 1.00 0.00 C ATOM 380 CE LYS A 24 11.856 1.787 -10.043 1.00 0.00 C ATOM 381 NZ LYS A 24 11.959 1.960 -8.560 1.00 0.00 N ATOM 0 H LYS A 24 8.664 1.645 -7.875 1.00 0.00 H new ATOM 0 HA LYS A 24 6.249 2.019 -9.514 1.00 0.00 H new ATOM 0 HB2 LYS A 24 8.001 2.546 -11.502 1.00 0.00 H new ATOM 0 HB3 LYS A 24 7.632 3.860 -10.404 1.00 0.00 H new ATOM 0 HG2 LYS A 24 10.070 3.830 -10.680 1.00 0.00 H new ATOM 0 HG3 LYS A 24 9.741 3.255 -9.057 1.00 0.00 H new ATOM 0 HD2 LYS A 24 9.915 0.858 -9.891 1.00 0.00 H new ATOM 0 HD3 LYS A 24 10.294 1.457 -11.494 1.00 0.00 H new ATOM 0 HE2 LYS A 24 12.391 0.891 -10.356 1.00 0.00 H new ATOM 0 HE3 LYS A 24 12.321 2.630 -10.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 12.924 1.729 -8.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 11.741 2.946 -8.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 11.283 1.325 -8.089 1.00 0.00 H new ATOM 395 N PRO A 25 6.762 -0.520 -9.432 1.00 0.00 N ATOM 396 CA PRO A 25 6.897 -0.956 -8.028 1.00 0.00 C ATOM 397 C PRO A 25 8.180 -0.656 -7.265 1.00 0.00 C ATOM 398 O PRO A 25 9.145 -0.066 -7.726 1.00 0.00 O ATOM 399 CB PRO A 25 6.561 -2.484 -8.108 1.00 0.00 C ATOM 400 CG PRO A 25 6.066 -2.738 -9.584 1.00 0.00 C ATOM 401 CD PRO A 25 5.742 -1.340 -10.129 1.00 0.00 C ATOM 0 HA PRO A 25 6.231 -0.357 -7.407 1.00 0.00 H new ATOM 0 HB2 PRO A 25 7.438 -3.090 -7.880 1.00 0.00 H new ATOM 0 HB3 PRO A 25 5.791 -2.753 -7.385 1.00 0.00 H new ATOM 0 HG2 PRO A 25 6.835 -3.228 -10.181 1.00 0.00 H new ATOM 0 HG3 PRO A 25 5.188 -3.384 -9.602 1.00 0.00 H new ATOM 0 HD2 PRO A 25 5.841 -1.287 -11.213 1.00 0.00 H new ATOM 0 HD3 PRO A 25 4.726 -1.028 -9.886 1.00 0.00 H new ATOM 409 N GLY A 26 8.134 -1.118 -6.052 1.00 0.00 N ATOM 410 CA GLY A 26 9.281 -0.946 -5.106 1.00 0.00 C ATOM 411 C GLY A 26 10.163 -2.150 -5.217 1.00 0.00 C ATOM 412 O GLY A 26 10.815 -2.500 -4.260 1.00 0.00 O ATOM 0 H GLY A 26 7.336 -1.619 -5.662 1.00 0.00 H new ATOM 0 HA2 GLY A 26 9.840 -0.042 -5.347 1.00 0.00 H new ATOM 0 HA3 GLY A 26 8.918 -0.834 -4.084 1.00 0.00 H new ATOM 416 N ASP A 27 10.105 -2.693 -6.407 1.00 0.00 N ATOM 417 CA ASP A 27 10.869 -3.887 -6.834 1.00 0.00 C ATOM 418 C ASP A 27 11.589 -4.522 -5.653 1.00 0.00 C ATOM 419 O ASP A 27 10.941 -5.290 -4.965 1.00 0.00 O ATOM 420 CB ASP A 27 11.783 -3.350 -7.931 1.00 0.00 C ATOM 421 CG ASP A 27 12.886 -4.368 -8.227 1.00 0.00 C ATOM 422 OD1 ASP A 27 12.559 -5.546 -8.252 1.00 0.00 O ATOM 423 OD2 ASP A 27 13.975 -3.871 -8.415 1.00 0.00 O ATOM 0 H ASP A 27 9.510 -2.319 -7.147 1.00 0.00 H new ATOM 0 HA ASP A 27 10.256 -4.704 -7.215 1.00 0.00 H new ATOM 0 HB2 ASP A 27 11.206 -3.152 -8.834 1.00 0.00 H new ATOM 0 HB3 ASP A 27 12.223 -2.403 -7.620 1.00 0.00 H new ATOM 428 N GLU A 28 12.832 -4.200 -5.449 1.00 0.00 N ATOM 429 CA GLU A 28 13.601 -4.763 -4.314 1.00 0.00 C ATOM 430 C GLU A 28 13.493 -3.626 -3.303 1.00 0.00 C ATOM 431 O GLU A 28 13.939 -2.528 -3.593 1.00 0.00 O ATOM 432 CB GLU A 28 15.077 -4.960 -4.710 1.00 0.00 C ATOM 433 CG GLU A 28 15.290 -6.112 -5.715 1.00 0.00 C ATOM 434 CD GLU A 28 15.785 -7.315 -4.921 1.00 0.00 C ATOM 435 OE1 GLU A 28 16.961 -7.379 -4.646 1.00 0.00 O ATOM 436 OE2 GLU A 28 14.946 -8.132 -4.600 1.00 0.00 O ATOM 0 H GLU A 28 13.358 -3.554 -6.037 1.00 0.00 H new ATOM 0 HA GLU A 28 13.243 -5.732 -3.964 1.00 0.00 H new ATOM 0 HB2 GLU A 28 15.457 -4.034 -5.143 1.00 0.00 H new ATOM 0 HB3 GLU A 28 15.664 -5.157 -3.813 1.00 0.00 H new ATOM 0 HG2 GLU A 28 14.360 -6.348 -6.232 1.00 0.00 H new ATOM 0 HG3 GLU A 28 16.016 -5.829 -6.477 1.00 0.00 H new ATOM 443 N VAL A 29 12.921 -3.880 -2.160 1.00 0.00 N ATOM 444 CA VAL A 29 12.797 -2.795 -1.152 1.00 0.00 C ATOM 445 C VAL A 29 13.528 -3.209 0.125 1.00 0.00 C ATOM 446 O VAL A 29 13.896 -4.352 0.322 1.00 0.00 O ATOM 447 CB VAL A 29 11.267 -2.536 -0.927 1.00 0.00 C ATOM 448 CG1 VAL A 29 10.526 -3.817 -0.490 1.00 0.00 C ATOM 449 CG2 VAL A 29 10.986 -1.397 0.077 1.00 0.00 C ATOM 0 H VAL A 29 12.538 -4.784 -1.883 1.00 0.00 H new ATOM 0 HA VAL A 29 13.258 -1.865 -1.486 1.00 0.00 H new ATOM 0 HB VAL A 29 10.882 -2.220 -1.897 1.00 0.00 H new ATOM 0 HG11 VAL A 29 9.469 -3.594 -0.345 1.00 0.00 H new ATOM 0 HG12 VAL A 29 10.633 -4.580 -1.261 1.00 0.00 H new ATOM 0 HG13 VAL A 29 10.951 -4.183 0.445 1.00 0.00 H new ATOM 0 HG21 VAL A 29 9.909 -1.268 0.189 1.00 0.00 H new ATOM 0 HG22 VAL A 29 11.423 -1.648 1.043 1.00 0.00 H new ATOM 0 HG23 VAL A 29 11.426 -0.470 -0.291 1.00 0.00 H new ATOM 459 N ASN A 30 13.676 -2.221 0.957 1.00 0.00 N ATOM 460 CA ASN A 30 14.360 -2.342 2.275 1.00 0.00 C ATOM 461 C ASN A 30 13.288 -2.471 3.342 1.00 0.00 C ATOM 462 O ASN A 30 12.134 -2.660 3.013 1.00 0.00 O ATOM 463 CB ASN A 30 15.158 -1.100 2.536 1.00 0.00 C ATOM 464 CG ASN A 30 16.156 -0.691 1.468 1.00 0.00 C ATOM 465 OD1 ASN A 30 16.555 -1.465 0.623 1.00 0.00 O ATOM 466 ND2 ASN A 30 16.596 0.531 1.470 1.00 0.00 N ATOM 0 H ASN A 30 13.331 -1.281 0.765 1.00 0.00 H new ATOM 0 HA ASN A 30 15.024 -3.207 2.283 1.00 0.00 H new ATOM 0 HB2 ASN A 30 14.462 -0.274 2.685 1.00 0.00 H new ATOM 0 HB3 ASN A 30 15.699 -1.234 3.473 1.00 0.00 H new ATOM 0 HD21 ASN A 30 17.270 0.831 0.766 1.00 0.00 H new ATOM 0 HD22 ASN A 30 16.267 1.190 2.176 1.00 0.00 H new ATOM 473 N GLU A 31 13.677 -2.349 4.574 1.00 0.00 N ATOM 474 CA GLU A 31 12.732 -2.459 5.726 1.00 0.00 C ATOM 475 C GLU A 31 12.967 -1.048 6.328 1.00 0.00 C ATOM 476 O GLU A 31 13.245 -0.883 7.502 1.00 0.00 O ATOM 477 CB GLU A 31 13.274 -3.686 6.561 1.00 0.00 C ATOM 478 CG GLU A 31 12.343 -4.357 7.640 1.00 0.00 C ATOM 479 CD GLU A 31 12.496 -5.910 7.661 1.00 0.00 C ATOM 480 OE1 GLU A 31 13.566 -6.361 8.007 1.00 0.00 O ATOM 481 OE2 GLU A 31 11.595 -6.668 7.322 1.00 0.00 O ATOM 0 H GLU A 31 14.644 -2.171 4.845 1.00 0.00 H new ATOM 0 HA GLU A 31 11.668 -2.654 5.589 1.00 0.00 H new ATOM 0 HB2 GLU A 31 13.565 -4.461 5.852 1.00 0.00 H new ATOM 0 HB3 GLU A 31 14.182 -3.361 7.069 1.00 0.00 H new ATOM 0 HG2 GLU A 31 12.582 -3.956 8.625 1.00 0.00 H new ATOM 0 HG3 GLU A 31 11.304 -4.098 7.434 1.00 0.00 H new ATOM 488 N ASP A 32 12.819 -0.110 5.422 1.00 0.00 N ATOM 489 CA ASP A 32 12.983 1.358 5.660 1.00 0.00 C ATOM 490 C ASP A 32 12.531 2.187 4.442 1.00 0.00 C ATOM 491 O ASP A 32 13.110 3.210 4.133 1.00 0.00 O ATOM 492 CB ASP A 32 14.486 1.682 5.964 1.00 0.00 C ATOM 493 CG ASP A 32 15.376 1.050 4.911 1.00 0.00 C ATOM 494 OD1 ASP A 32 15.449 1.563 3.814 1.00 0.00 O ATOM 495 OD2 ASP A 32 15.953 0.034 5.250 1.00 0.00 O ATOM 0 H ASP A 32 12.572 -0.326 4.456 1.00 0.00 H new ATOM 0 HA ASP A 32 12.356 1.624 6.511 1.00 0.00 H new ATOM 0 HB2 ASP A 32 14.638 2.761 5.980 1.00 0.00 H new ATOM 0 HB3 ASP A 32 14.755 1.307 6.952 1.00 0.00 H new ATOM 500 N ASP A 33 11.492 1.763 3.773 1.00 0.00 N ATOM 501 CA ASP A 33 10.992 2.505 2.571 1.00 0.00 C ATOM 502 C ASP A 33 9.621 3.095 2.883 1.00 0.00 C ATOM 503 O ASP A 33 9.118 2.960 3.987 1.00 0.00 O ATOM 504 CB ASP A 33 10.927 1.504 1.414 1.00 0.00 C ATOM 505 CG ASP A 33 10.278 2.107 0.179 1.00 0.00 C ATOM 506 OD1 ASP A 33 10.782 3.122 -0.259 1.00 0.00 O ATOM 507 OD2 ASP A 33 9.311 1.530 -0.265 1.00 0.00 O ATOM 0 H ASP A 33 10.960 0.925 4.008 1.00 0.00 H new ATOM 0 HA ASP A 33 11.650 3.330 2.299 1.00 0.00 H new ATOM 0 HB2 ASP A 33 11.934 1.168 1.168 1.00 0.00 H new ATOM 0 HB3 ASP A 33 10.365 0.624 1.726 1.00 0.00 H new ATOM 512 N VAL A 34 9.024 3.748 1.932 1.00 0.00 N ATOM 513 CA VAL A 34 7.722 4.351 2.094 1.00 0.00 C ATOM 514 C VAL A 34 6.526 3.486 1.876 1.00 0.00 C ATOM 515 O VAL A 34 6.494 2.273 1.826 1.00 0.00 O ATOM 516 CB VAL A 34 7.754 5.610 1.145 1.00 0.00 C ATOM 517 CG1 VAL A 34 7.721 6.809 2.005 1.00 0.00 C ATOM 518 CG2 VAL A 34 9.102 5.841 0.408 1.00 0.00 C ATOM 0 H VAL A 34 9.428 3.883 1.005 1.00 0.00 H new ATOM 0 HA VAL A 34 7.575 4.594 3.146 1.00 0.00 H new ATOM 0 HB VAL A 34 6.937 5.449 0.442 1.00 0.00 H new ATOM 0 HG11 VAL A 34 7.742 7.704 1.383 1.00 0.00 H new ATOM 0 HG12 VAL A 34 6.809 6.803 2.602 1.00 0.00 H new ATOM 0 HG13 VAL A 34 8.588 6.807 2.666 1.00 0.00 H new ATOM 0 HG21 VAL A 34 9.026 6.729 -0.220 1.00 0.00 H new ATOM 0 HG22 VAL A 34 9.897 5.981 1.140 1.00 0.00 H new ATOM 0 HG23 VAL A 34 9.330 4.975 -0.214 1.00 0.00 H new ATOM 528 N LEU A 35 5.565 4.328 1.788 1.00 0.00 N ATOM 529 CA LEU A 35 4.176 4.031 1.584 1.00 0.00 C ATOM 530 C LEU A 35 3.751 4.596 0.240 1.00 0.00 C ATOM 531 O LEU A 35 4.478 4.736 -0.726 1.00 0.00 O ATOM 532 CB LEU A 35 3.473 4.685 2.790 1.00 0.00 C ATOM 533 CG LEU A 35 3.858 6.186 3.101 1.00 0.00 C ATOM 534 CD1 LEU A 35 4.988 6.245 4.161 1.00 0.00 C ATOM 535 CD2 LEU A 35 4.177 7.105 1.886 1.00 0.00 C ATOM 0 H LEU A 35 5.733 5.331 1.862 1.00 0.00 H new ATOM 0 HA LEU A 35 3.931 2.970 1.542 1.00 0.00 H new ATOM 0 HB2 LEU A 35 2.397 4.636 2.625 1.00 0.00 H new ATOM 0 HB3 LEU A 35 3.688 4.087 3.676 1.00 0.00 H new ATOM 0 HG LEU A 35 2.936 6.615 3.493 1.00 0.00 H new ATOM 0 HD11 LEU A 35 5.242 7.285 4.364 1.00 0.00 H new ATOM 0 HD12 LEU A 35 4.650 5.768 5.081 1.00 0.00 H new ATOM 0 HD13 LEU A 35 5.868 5.724 3.784 1.00 0.00 H new ATOM 0 HD21 LEU A 35 4.425 8.105 2.241 1.00 0.00 H new ATOM 0 HD22 LEU A 35 5.023 6.697 1.333 1.00 0.00 H new ATOM 0 HD23 LEU A 35 3.307 7.158 1.231 1.00 0.00 H new ATOM 547 N CYS A 36 2.504 4.886 0.331 1.00 0.00 N ATOM 548 CA CYS A 36 1.652 5.475 -0.707 1.00 0.00 C ATOM 549 C CYS A 36 1.117 6.633 0.126 1.00 0.00 C ATOM 550 O CYS A 36 1.122 6.575 1.346 1.00 0.00 O ATOM 551 CB CYS A 36 0.443 4.650 -1.069 1.00 0.00 C ATOM 552 SG CYS A 36 0.539 2.849 -0.954 1.00 0.00 S ATOM 0 H CYS A 36 1.986 4.714 1.192 1.00 0.00 H new ATOM 0 HA CYS A 36 2.180 5.649 -1.644 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -0.379 4.976 -0.432 1.00 0.00 H new ATOM 0 HB3 CYS A 36 0.171 4.899 -2.095 1.00 0.00 H new ATOM 0 HG CYS A 36 1.228 2.386 -1.954 1.00 0.00 H new ATOM 558 N GLU A 37 0.648 7.620 -0.547 1.00 0.00 N ATOM 559 CA GLU A 37 0.099 8.802 0.161 1.00 0.00 C ATOM 560 C GLU A 37 -1.377 8.712 -0.248 1.00 0.00 C ATOM 561 O GLU A 37 -1.734 8.947 -1.395 1.00 0.00 O ATOM 562 CB GLU A 37 0.866 10.077 -0.366 1.00 0.00 C ATOM 563 CG GLU A 37 1.890 10.490 0.740 1.00 0.00 C ATOM 564 CD GLU A 37 2.661 11.771 0.395 1.00 0.00 C ATOM 565 OE1 GLU A 37 2.145 12.599 -0.328 1.00 0.00 O ATOM 566 OE2 GLU A 37 3.785 11.944 0.828 1.00 0.00 O ATOM 0 H GLU A 37 0.616 7.669 -1.565 1.00 0.00 H new ATOM 0 HA GLU A 37 0.206 8.850 1.245 1.00 0.00 H new ATOM 0 HB2 GLU A 37 1.379 9.858 -1.303 1.00 0.00 H new ATOM 0 HB3 GLU A 37 0.168 10.890 -0.567 1.00 0.00 H new ATOM 0 HG2 GLU A 37 1.361 10.634 1.682 1.00 0.00 H new ATOM 0 HG3 GLU A 37 2.599 9.676 0.893 1.00 0.00 H new ATOM 573 N VAL A 38 -2.191 8.353 0.708 1.00 0.00 N ATOM 574 CA VAL A 38 -3.661 8.206 0.487 1.00 0.00 C ATOM 575 C VAL A 38 -4.313 9.309 1.306 1.00 0.00 C ATOM 576 O VAL A 38 -3.802 9.657 2.354 1.00 0.00 O ATOM 577 CB VAL A 38 -4.088 6.796 0.996 1.00 0.00 C ATOM 578 CG1 VAL A 38 -5.586 6.500 0.763 1.00 0.00 C ATOM 579 CG2 VAL A 38 -3.247 5.692 0.311 1.00 0.00 C ATOM 0 H VAL A 38 -1.890 8.149 1.661 1.00 0.00 H new ATOM 0 HA VAL A 38 -3.952 8.290 -0.560 1.00 0.00 H new ATOM 0 HB VAL A 38 -3.910 6.796 2.071 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -5.823 5.504 1.138 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -6.189 7.239 1.290 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -5.805 6.547 -0.304 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -3.560 4.715 0.679 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -3.396 5.738 -0.768 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -2.192 5.845 0.538 1.00 0.00 H new ATOM 589 N GLN A 39 -5.413 9.823 0.842 1.00 0.00 N ATOM 590 CA GLN A 39 -6.083 10.907 1.607 1.00 0.00 C ATOM 591 C GLN A 39 -7.415 10.388 2.134 1.00 0.00 C ATOM 592 O GLN A 39 -7.985 9.456 1.598 1.00 0.00 O ATOM 593 CB GLN A 39 -6.257 12.089 0.640 1.00 0.00 C ATOM 594 CG GLN A 39 -6.695 13.366 1.393 1.00 0.00 C ATOM 595 CD GLN A 39 -6.774 14.509 0.391 1.00 0.00 C ATOM 596 OE1 GLN A 39 -5.796 14.872 -0.229 1.00 0.00 O ATOM 597 NE2 GLN A 39 -7.907 15.108 0.184 1.00 0.00 N ATOM 0 H GLN A 39 -5.874 9.544 -0.024 1.00 0.00 H new ATOM 0 HA GLN A 39 -5.502 11.233 2.470 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -5.319 12.276 0.117 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -7.000 11.837 -0.117 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -7.663 13.212 1.870 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -5.984 13.603 2.184 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -8.739 14.816 0.696 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -7.965 15.871 -0.491 1.00 0.00 H new ATOM 606 N ASN A 40 -7.849 11.012 3.188 1.00 0.00 N ATOM 607 CA ASN A 40 -9.136 10.663 3.853 1.00 0.00 C ATOM 608 C ASN A 40 -9.744 12.006 4.248 1.00 0.00 C ATOM 609 O ASN A 40 -9.269 13.034 3.802 1.00 0.00 O ATOM 610 CB ASN A 40 -8.886 9.744 5.105 1.00 0.00 C ATOM 611 CG ASN A 40 -8.363 10.496 6.336 1.00 0.00 C ATOM 612 OD1 ASN A 40 -7.409 11.243 6.276 1.00 0.00 O ATOM 613 ND2 ASN A 40 -8.962 10.311 7.471 1.00 0.00 N ATOM 0 H ASN A 40 -7.347 11.779 3.634 1.00 0.00 H new ATOM 0 HA ASN A 40 -9.803 10.097 3.203 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -9.818 9.243 5.367 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -8.171 8.967 4.836 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -8.631 10.792 8.307 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -9.765 9.684 7.528 1.00 0.00 H new ATOM 620 N ASP A 41 -10.770 11.910 5.046 1.00 0.00 N ATOM 621 CA ASP A 41 -11.550 13.075 5.575 1.00 0.00 C ATOM 622 C ASP A 41 -10.920 14.441 5.339 1.00 0.00 C ATOM 623 O ASP A 41 -11.493 15.260 4.647 1.00 0.00 O ATOM 624 CB ASP A 41 -11.821 12.874 7.128 1.00 0.00 C ATOM 625 CG ASP A 41 -10.713 13.336 8.079 1.00 0.00 C ATOM 626 OD1 ASP A 41 -9.652 12.763 8.030 1.00 0.00 O ATOM 627 OD2 ASP A 41 -10.996 14.262 8.816 1.00 0.00 O ATOM 0 H ASP A 41 -11.124 11.012 5.375 1.00 0.00 H new ATOM 0 HA ASP A 41 -12.479 13.083 5.004 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -12.737 13.406 7.386 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -12.006 11.815 7.308 1.00 0.00 H new ATOM 632 N LYS A 42 -9.786 14.654 5.926 1.00 0.00 N ATOM 633 CA LYS A 42 -9.064 15.950 5.778 1.00 0.00 C ATOM 634 C LYS A 42 -7.559 15.721 5.759 1.00 0.00 C ATOM 635 O LYS A 42 -6.821 16.559 5.273 1.00 0.00 O ATOM 636 CB LYS A 42 -9.406 16.887 6.957 1.00 0.00 C ATOM 637 CG LYS A 42 -10.929 17.244 6.960 1.00 0.00 C ATOM 638 CD LYS A 42 -11.266 17.946 8.316 1.00 0.00 C ATOM 639 CE LYS A 42 -12.690 17.550 8.799 1.00 0.00 C ATOM 640 NZ LYS A 42 -12.786 16.074 8.674 1.00 0.00 N ATOM 0 H LYS A 42 -9.313 13.971 6.518 1.00 0.00 H new ATOM 0 HA LYS A 42 -9.376 16.406 4.839 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -9.139 16.407 7.898 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -8.814 17.800 6.885 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -11.167 17.901 6.123 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -11.530 16.343 6.839 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -10.530 17.666 9.069 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -11.204 19.028 8.197 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -12.850 17.862 9.831 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -13.454 18.040 8.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -13.408 15.702 9.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -13.178 15.829 7.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -11.839 15.655 8.772 1.00 0.00 H new ATOM 654 N ALA A 43 -7.136 14.611 6.294 1.00 0.00 N ATOM 655 CA ALA A 43 -5.687 14.297 6.342 1.00 0.00 C ATOM 656 C ALA A 43 -5.275 13.285 5.277 1.00 0.00 C ATOM 657 O ALA A 43 -6.049 12.863 4.439 1.00 0.00 O ATOM 658 CB ALA A 43 -5.412 13.767 7.741 1.00 0.00 C ATOM 0 H ALA A 43 -7.742 13.901 6.704 1.00 0.00 H new ATOM 0 HA ALA A 43 -5.100 15.190 6.130 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -4.355 13.518 7.835 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -5.672 14.529 8.476 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -6.012 12.874 7.916 1.00 0.00 H new ATOM 664 N VAL A 44 -4.023 12.945 5.358 1.00 0.00 N ATOM 665 CA VAL A 44 -3.402 11.976 4.431 1.00 0.00 C ATOM 666 C VAL A 44 -2.781 10.935 5.369 1.00 0.00 C ATOM 667 O VAL A 44 -2.200 11.326 6.367 1.00 0.00 O ATOM 668 CB VAL A 44 -2.337 12.734 3.617 1.00 0.00 C ATOM 669 CG1 VAL A 44 -1.716 11.845 2.518 1.00 0.00 C ATOM 670 CG2 VAL A 44 -2.964 13.996 2.985 1.00 0.00 C ATOM 0 H VAL A 44 -3.383 13.317 6.059 1.00 0.00 H new ATOM 0 HA VAL A 44 -4.080 11.506 3.719 1.00 0.00 H new ATOM 0 HB VAL A 44 -1.537 13.023 4.299 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -0.970 12.416 1.966 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -1.242 10.977 2.977 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -2.497 11.513 1.834 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -2.207 14.529 2.410 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -3.782 13.705 2.326 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -3.346 14.646 3.772 1.00 0.00 H new ATOM 680 N VAL A 45 -2.911 9.680 5.052 1.00 0.00 N ATOM 681 CA VAL A 45 -2.325 8.617 5.916 1.00 0.00 C ATOM 682 C VAL A 45 -1.202 7.975 5.147 1.00 0.00 C ATOM 683 O VAL A 45 -1.143 8.018 3.929 1.00 0.00 O ATOM 684 CB VAL A 45 -3.400 7.563 6.247 1.00 0.00 C ATOM 685 CG1 VAL A 45 -2.923 6.536 7.321 1.00 0.00 C ATOM 686 CG2 VAL A 45 -4.538 8.360 6.792 1.00 0.00 C ATOM 0 H VAL A 45 -3.402 9.340 4.225 1.00 0.00 H new ATOM 0 HA VAL A 45 -1.958 9.040 6.851 1.00 0.00 H new ATOM 0 HB VAL A 45 -3.653 6.974 5.365 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -3.719 5.817 7.516 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -2.041 6.010 6.955 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -2.676 7.062 8.243 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -5.357 7.691 7.058 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -4.210 8.903 7.679 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -4.879 9.069 6.038 1.00 0.00 H new ATOM 696 N GLU A 46 -0.360 7.392 5.934 1.00 0.00 N ATOM 697 CA GLU A 46 0.826 6.691 5.405 1.00 0.00 C ATOM 698 C GLU A 46 0.782 5.208 5.808 1.00 0.00 C ATOM 699 O GLU A 46 0.369 4.862 6.900 1.00 0.00 O ATOM 700 CB GLU A 46 2.060 7.373 5.982 1.00 0.00 C ATOM 701 CG GLU A 46 2.166 7.281 7.521 1.00 0.00 C ATOM 702 CD GLU A 46 3.644 7.487 7.865 1.00 0.00 C ATOM 703 OE1 GLU A 46 4.393 6.588 7.509 1.00 0.00 O ATOM 704 OE2 GLU A 46 3.924 8.515 8.445 1.00 0.00 O ATOM 0 H GLU A 46 -0.447 7.371 6.950 1.00 0.00 H new ATOM 0 HA GLU A 46 0.850 6.737 4.316 1.00 0.00 H new ATOM 0 HB2 GLU A 46 2.950 6.926 5.539 1.00 0.00 H new ATOM 0 HB3 GLU A 46 2.052 8.423 5.691 1.00 0.00 H new ATOM 0 HG2 GLU A 46 1.546 8.040 7.999 1.00 0.00 H new ATOM 0 HG3 GLU A 46 1.816 6.312 7.877 1.00 0.00 H new ATOM 711 N ILE A 47 1.188 4.365 4.910 1.00 0.00 N ATOM 712 CA ILE A 47 1.228 2.917 5.110 1.00 0.00 C ATOM 713 C ILE A 47 2.726 2.591 4.755 1.00 0.00 C ATOM 714 O ILE A 47 2.933 2.089 3.666 1.00 0.00 O ATOM 715 CB ILE A 47 0.246 2.240 4.106 1.00 0.00 C ATOM 716 CG1 ILE A 47 -1.261 2.627 4.203 1.00 0.00 C ATOM 717 CG2 ILE A 47 0.355 0.764 4.307 1.00 0.00 C ATOM 718 CD1 ILE A 47 -1.484 4.085 3.820 1.00 0.00 C ATOM 0 H ILE A 47 1.513 4.655 3.988 1.00 0.00 H new ATOM 0 HA ILE A 47 0.937 2.573 6.103 1.00 0.00 H new ATOM 0 HB ILE A 47 0.554 2.597 3.123 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -1.847 1.983 3.547 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -1.618 2.457 5.219 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -0.319 0.252 3.620 1.00 0.00 H new ATOM 0 HG22 ILE A 47 1.379 0.445 4.114 1.00 0.00 H new ATOM 0 HG23 ILE A 47 0.085 0.516 5.333 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -2.545 4.323 3.898 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -0.917 4.729 4.493 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -1.150 4.247 2.795 1.00 0.00 H new ATOM 730 N PRO A 48 3.733 2.864 5.563 1.00 0.00 N ATOM 731 CA PRO A 48 5.176 2.608 5.192 1.00 0.00 C ATOM 732 C PRO A 48 5.353 1.097 4.969 1.00 0.00 C ATOM 733 O PRO A 48 4.426 0.311 4.986 1.00 0.00 O ATOM 734 CB PRO A 48 5.967 3.175 6.377 1.00 0.00 C ATOM 735 CG PRO A 48 5.007 2.882 7.519 1.00 0.00 C ATOM 736 CD PRO A 48 3.648 3.423 6.941 1.00 0.00 C ATOM 0 HA PRO A 48 5.518 3.077 4.269 1.00 0.00 H new ATOM 0 HB2 PRO A 48 6.929 2.680 6.507 1.00 0.00 H new ATOM 0 HB3 PRO A 48 6.169 4.241 6.268 1.00 0.00 H new ATOM 0 HG2 PRO A 48 4.959 1.818 7.750 1.00 0.00 H new ATOM 0 HG3 PRO A 48 5.294 3.395 8.437 1.00 0.00 H new ATOM 0 HD2 PRO A 48 2.782 3.055 7.491 1.00 0.00 H new ATOM 0 HD3 PRO A 48 3.592 4.512 6.950 1.00 0.00 H new ATOM 744 N SER A 49 6.581 0.756 4.800 1.00 0.00 N ATOM 745 CA SER A 49 6.963 -0.665 4.557 1.00 0.00 C ATOM 746 C SER A 49 7.596 -1.299 5.801 1.00 0.00 C ATOM 747 O SER A 49 8.800 -1.312 5.942 1.00 0.00 O ATOM 748 CB SER A 49 7.937 -0.709 3.360 1.00 0.00 C ATOM 749 OG SER A 49 8.829 0.384 3.560 1.00 0.00 O ATOM 0 H SER A 49 7.364 1.409 4.818 1.00 0.00 H new ATOM 0 HA SER A 49 6.068 -1.245 4.331 1.00 0.00 H new ATOM 0 HB2 SER A 49 8.476 -1.656 3.327 1.00 0.00 H new ATOM 0 HB3 SER A 49 7.403 -0.613 2.415 1.00 0.00 H new ATOM 0 HG SER A 49 9.118 0.404 4.496 1.00 0.00 H new ATOM 755 N PRO A 50 6.777 -1.809 6.698 1.00 0.00 N ATOM 756 CA PRO A 50 7.283 -2.516 7.898 1.00 0.00 C ATOM 757 C PRO A 50 8.389 -3.525 7.574 1.00 0.00 C ATOM 758 O PRO A 50 9.235 -3.738 8.414 1.00 0.00 O ATOM 759 CB PRO A 50 6.033 -3.170 8.530 1.00 0.00 C ATOM 760 CG PRO A 50 5.001 -3.160 7.368 1.00 0.00 C ATOM 761 CD PRO A 50 5.285 -1.812 6.678 1.00 0.00 C ATOM 0 HA PRO A 50 7.768 -1.830 8.593 1.00 0.00 H new ATOM 0 HB2 PRO A 50 6.240 -4.183 8.876 1.00 0.00 H new ATOM 0 HB3 PRO A 50 5.675 -2.606 9.391 1.00 0.00 H new ATOM 0 HG2 PRO A 50 5.146 -4.001 6.690 1.00 0.00 H new ATOM 0 HG3 PRO A 50 3.976 -3.220 7.735 1.00 0.00 H new ATOM 0 HD2 PRO A 50 4.883 -1.771 5.666 1.00 0.00 H new ATOM 0 HD3 PRO A 50 4.861 -0.969 7.223 1.00 0.00 H new ATOM 769 N VAL A 51 8.323 -4.118 6.407 1.00 0.00 N ATOM 770 CA VAL A 51 9.342 -5.105 6.011 1.00 0.00 C ATOM 771 C VAL A 51 9.954 -4.916 4.628 1.00 0.00 C ATOM 772 O VAL A 51 9.452 -4.156 3.821 1.00 0.00 O ATOM 773 CB VAL A 51 8.671 -6.499 6.179 1.00 0.00 C ATOM 774 CG1 VAL A 51 7.127 -6.487 6.030 1.00 0.00 C ATOM 775 CG2 VAL A 51 9.230 -7.549 5.293 1.00 0.00 C ATOM 0 H VAL A 51 7.594 -3.950 5.713 1.00 0.00 H new ATOM 0 HA VAL A 51 10.215 -4.982 6.653 1.00 0.00 H new ATOM 0 HB VAL A 51 8.912 -6.751 7.212 1.00 0.00 H new ATOM 0 HG11 VAL A 51 6.741 -7.498 6.161 1.00 0.00 H new ATOM 0 HG12 VAL A 51 6.694 -5.832 6.786 1.00 0.00 H new ATOM 0 HG13 VAL A 51 6.860 -6.123 5.038 1.00 0.00 H new ATOM 0 HG21 VAL A 51 8.709 -8.490 5.471 1.00 0.00 H new ATOM 0 HG22 VAL A 51 9.100 -7.254 4.252 1.00 0.00 H new ATOM 0 HG23 VAL A 51 10.292 -7.676 5.504 1.00 0.00 H new ATOM 785 N LYS A 52 11.019 -5.662 4.457 1.00 0.00 N ATOM 786 CA LYS A 52 11.802 -5.676 3.183 1.00 0.00 C ATOM 787 C LYS A 52 11.443 -6.928 2.427 1.00 0.00 C ATOM 788 O LYS A 52 10.908 -7.873 2.989 1.00 0.00 O ATOM 789 CB LYS A 52 13.349 -5.748 3.368 1.00 0.00 C ATOM 790 CG LYS A 52 13.966 -7.172 3.768 1.00 0.00 C ATOM 791 CD LYS A 52 13.707 -7.411 5.245 1.00 0.00 C ATOM 792 CE LYS A 52 13.344 -8.887 5.680 1.00 0.00 C ATOM 793 NZ LYS A 52 12.047 -9.416 5.122 1.00 0.00 N ATOM 0 H LYS A 52 11.389 -6.284 5.176 1.00 0.00 H new ATOM 0 HA LYS A 52 11.555 -4.742 2.679 1.00 0.00 H new ATOM 0 HB2 LYS A 52 13.817 -5.425 2.438 1.00 0.00 H new ATOM 0 HB3 LYS A 52 13.633 -5.028 4.135 1.00 0.00 H new ATOM 0 HG2 LYS A 52 13.512 -7.963 3.171 1.00 0.00 H new ATOM 0 HG3 LYS A 52 15.036 -7.192 3.563 1.00 0.00 H new ATOM 0 HD2 LYS A 52 14.594 -7.103 5.799 1.00 0.00 H new ATOM 0 HD3 LYS A 52 12.893 -6.756 5.557 1.00 0.00 H new ATOM 0 HE2 LYS A 52 14.152 -9.550 5.371 1.00 0.00 H new ATOM 0 HE3 LYS A 52 13.297 -8.928 6.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 11.338 -9.469 5.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 11.706 -8.779 4.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 12.201 -10.365 4.725 1.00 0.00 H new ATOM 807 N GLY A 53 11.817 -6.905 1.189 1.00 0.00 N ATOM 808 CA GLY A 53 11.536 -8.055 0.299 1.00 0.00 C ATOM 809 C GLY A 53 11.340 -7.483 -1.078 1.00 0.00 C ATOM 810 O GLY A 53 12.064 -6.579 -1.454 1.00 0.00 O ATOM 0 H GLY A 53 12.312 -6.130 0.748 1.00 0.00 H new ATOM 0 HA2 GLY A 53 12.361 -8.767 0.311 1.00 0.00 H new ATOM 0 HA3 GLY A 53 10.647 -8.593 0.627 1.00 0.00 H new ATOM 814 N LYS A 54 10.398 -7.989 -1.806 1.00 0.00 N ATOM 815 CA LYS A 54 10.141 -7.495 -3.178 1.00 0.00 C ATOM 816 C LYS A 54 8.786 -6.798 -3.128 1.00 0.00 C ATOM 817 O LYS A 54 8.045 -6.911 -2.174 1.00 0.00 O ATOM 818 CB LYS A 54 10.114 -8.720 -4.119 1.00 0.00 C ATOM 819 CG LYS A 54 10.282 -8.380 -5.638 1.00 0.00 C ATOM 820 CD LYS A 54 11.718 -7.917 -6.114 1.00 0.00 C ATOM 821 CE LYS A 54 12.695 -9.102 -6.029 1.00 0.00 C ATOM 822 NZ LYS A 54 12.859 -9.531 -4.605 1.00 0.00 N ATOM 0 H LYS A 54 9.780 -8.742 -1.502 1.00 0.00 H new ATOM 0 HA LYS A 54 10.900 -6.802 -3.541 1.00 0.00 H new ATOM 0 HB2 LYS A 54 10.908 -9.406 -3.824 1.00 0.00 H new ATOM 0 HB3 LYS A 54 9.170 -9.247 -3.981 1.00 0.00 H new ATOM 0 HG2 LYS A 54 10.001 -9.261 -6.216 1.00 0.00 H new ATOM 0 HG3 LYS A 54 9.571 -7.593 -5.890 1.00 0.00 H new ATOM 0 HD2 LYS A 54 11.671 -7.544 -7.137 1.00 0.00 H new ATOM 0 HD3 LYS A 54 12.072 -7.095 -5.491 1.00 0.00 H new ATOM 0 HE2 LYS A 54 12.323 -9.934 -6.627 1.00 0.00 H new ATOM 0 HE3 LYS A 54 13.661 -8.817 -6.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 13.871 -9.636 -4.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 12.443 -8.815 -3.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 12.378 -10.441 -4.459 1.00 0.00 H new ATOM 836 N VAL A 55 8.508 -6.114 -4.189 1.00 0.00 N ATOM 837 CA VAL A 55 7.236 -5.365 -4.339 1.00 0.00 C ATOM 838 C VAL A 55 6.755 -5.883 -5.694 1.00 0.00 C ATOM 839 O VAL A 55 6.608 -5.161 -6.658 1.00 0.00 O ATOM 840 CB VAL A 55 7.538 -3.883 -4.338 1.00 0.00 C ATOM 841 CG1 VAL A 55 6.161 -3.209 -4.344 1.00 0.00 C ATOM 842 CG2 VAL A 55 8.202 -3.618 -2.992 1.00 0.00 C ATOM 0 H VAL A 55 9.133 -6.038 -4.992 1.00 0.00 H new ATOM 0 HA VAL A 55 6.493 -5.501 -3.553 1.00 0.00 H new ATOM 0 HB VAL A 55 8.160 -3.539 -5.164 1.00 0.00 H new ATOM 0 HG11 VAL A 55 6.286 -2.126 -4.344 1.00 0.00 H new ATOM 0 HG12 VAL A 55 5.612 -3.511 -5.236 1.00 0.00 H new ATOM 0 HG13 VAL A 55 5.605 -3.510 -3.456 1.00 0.00 H new ATOM 0 HG21 VAL A 55 8.453 -2.560 -2.912 1.00 0.00 H new ATOM 0 HG22 VAL A 55 7.517 -3.890 -2.189 1.00 0.00 H new ATOM 0 HG23 VAL A 55 9.111 -4.214 -2.911 1.00 0.00 H new ATOM 852 N LEU A 56 6.555 -7.171 -5.654 1.00 0.00 N ATOM 853 CA LEU A 56 6.085 -7.991 -6.814 1.00 0.00 C ATOM 854 C LEU A 56 5.160 -7.240 -7.783 1.00 0.00 C ATOM 855 O LEU A 56 5.569 -6.881 -8.868 1.00 0.00 O ATOM 856 CB LEU A 56 5.357 -9.254 -6.255 1.00 0.00 C ATOM 857 CG LEU A 56 6.271 -10.051 -5.258 1.00 0.00 C ATOM 858 CD1 LEU A 56 5.438 -11.127 -4.533 1.00 0.00 C ATOM 859 CD2 LEU A 56 7.442 -10.733 -6.004 1.00 0.00 C ATOM 0 H LEU A 56 6.708 -7.723 -4.810 1.00 0.00 H new ATOM 0 HA LEU A 56 6.965 -8.257 -7.400 1.00 0.00 H new ATOM 0 HB2 LEU A 56 4.440 -8.952 -5.748 1.00 0.00 H new ATOM 0 HB3 LEU A 56 5.066 -9.903 -7.081 1.00 0.00 H new ATOM 0 HG LEU A 56 6.680 -9.345 -4.535 1.00 0.00 H new ATOM 0 HD11 LEU A 56 6.077 -11.677 -3.842 1.00 0.00 H new ATOM 0 HD12 LEU A 56 4.630 -10.649 -3.978 1.00 0.00 H new ATOM 0 HD13 LEU A 56 5.017 -11.816 -5.265 1.00 0.00 H new ATOM 0 HD21 LEU A 56 8.060 -11.278 -5.290 1.00 0.00 H new ATOM 0 HD22 LEU A 56 7.046 -11.427 -6.746 1.00 0.00 H new ATOM 0 HD23 LEU A 56 8.047 -9.975 -6.502 1.00 0.00 H new ATOM 871 N GLU A 57 3.941 -7.029 -7.363 1.00 0.00 N ATOM 872 CA GLU A 57 2.969 -6.310 -8.230 1.00 0.00 C ATOM 873 C GLU A 57 2.092 -5.305 -7.485 1.00 0.00 C ATOM 874 O GLU A 57 1.988 -5.327 -6.268 1.00 0.00 O ATOM 875 CB GLU A 57 2.095 -7.378 -8.915 1.00 0.00 C ATOM 876 CG GLU A 57 1.526 -8.384 -7.884 1.00 0.00 C ATOM 877 CD GLU A 57 0.742 -9.421 -8.683 1.00 0.00 C ATOM 878 OE1 GLU A 57 1.413 -10.157 -9.387 1.00 0.00 O ATOM 879 OE2 GLU A 57 -0.464 -9.399 -8.537 1.00 0.00 O ATOM 0 H GLU A 57 3.578 -7.324 -6.457 1.00 0.00 H new ATOM 0 HA GLU A 57 3.530 -5.714 -8.950 1.00 0.00 H new ATOM 0 HB2 GLU A 57 1.275 -6.894 -9.446 1.00 0.00 H new ATOM 0 HB3 GLU A 57 2.686 -7.912 -9.660 1.00 0.00 H new ATOM 0 HG2 GLU A 57 2.329 -8.856 -7.318 1.00 0.00 H new ATOM 0 HG3 GLU A 57 0.882 -7.880 -7.164 1.00 0.00 H new ATOM 886 N ILE A 58 1.500 -4.461 -8.278 1.00 0.00 N ATOM 887 CA ILE A 58 0.593 -3.390 -7.819 1.00 0.00 C ATOM 888 C ILE A 58 -0.533 -3.526 -8.861 1.00 0.00 C ATOM 889 O ILE A 58 -0.224 -3.678 -10.028 1.00 0.00 O ATOM 890 CB ILE A 58 1.330 -2.039 -7.932 1.00 0.00 C ATOM 891 CG1 ILE A 58 2.678 -2.097 -7.146 1.00 0.00 C ATOM 892 CG2 ILE A 58 0.424 -0.932 -7.334 1.00 0.00 C ATOM 893 CD1 ILE A 58 3.461 -0.766 -7.276 1.00 0.00 C ATOM 0 H ILE A 58 1.622 -4.479 -9.291 1.00 0.00 H new ATOM 0 HA ILE A 58 0.243 -3.450 -6.789 1.00 0.00 H new ATOM 0 HB ILE A 58 1.546 -1.823 -8.978 1.00 0.00 H new ATOM 0 HG12 ILE A 58 2.480 -2.304 -6.094 1.00 0.00 H new ATOM 0 HG13 ILE A 58 3.287 -2.918 -7.524 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.930 0.031 -7.406 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.514 -0.891 -7.888 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.218 -1.156 -6.287 1.00 0.00 H new ATOM 0 HD11 ILE A 58 4.395 -0.837 -6.718 1.00 0.00 H new ATOM 0 HD12 ILE A 58 3.680 -0.574 -8.326 1.00 0.00 H new ATOM 0 HD13 ILE A 58 2.860 0.050 -6.875 1.00 0.00 H new ATOM 905 N LEU A 59 -1.764 -3.461 -8.446 1.00 0.00 N ATOM 906 CA LEU A 59 -2.914 -3.583 -9.386 1.00 0.00 C ATOM 907 C LEU A 59 -3.385 -2.199 -9.837 1.00 0.00 C ATOM 908 O LEU A 59 -3.318 -1.849 -10.996 1.00 0.00 O ATOM 909 CB LEU A 59 -4.110 -4.292 -8.691 1.00 0.00 C ATOM 910 CG LEU A 59 -3.696 -5.486 -7.781 1.00 0.00 C ATOM 911 CD1 LEU A 59 -4.965 -6.248 -7.322 1.00 0.00 C ATOM 912 CD2 LEU A 59 -2.757 -6.437 -8.533 1.00 0.00 C ATOM 0 H LEU A 59 -2.030 -3.325 -7.471 1.00 0.00 H new ATOM 0 HA LEU A 59 -2.579 -4.165 -10.245 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -4.653 -3.562 -8.091 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -4.799 -4.652 -9.455 1.00 0.00 H new ATOM 0 HG LEU A 59 -3.167 -5.100 -6.910 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -4.677 -7.084 -6.685 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -5.613 -5.573 -6.763 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -5.499 -6.624 -8.195 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -2.479 -7.265 -7.881 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -3.264 -6.826 -9.416 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -1.860 -5.898 -8.837 1.00 0.00 H new ATOM 924 N VAL A 60 -3.853 -1.438 -8.892 1.00 0.00 N ATOM 925 CA VAL A 60 -4.357 -0.065 -9.184 1.00 0.00 C ATOM 926 C VAL A 60 -3.421 0.905 -8.432 1.00 0.00 C ATOM 927 O VAL A 60 -3.826 1.437 -7.423 1.00 0.00 O ATOM 928 CB VAL A 60 -5.834 0.031 -8.672 1.00 0.00 C ATOM 929 CG1 VAL A 60 -6.469 1.330 -9.177 1.00 0.00 C ATOM 930 CG2 VAL A 60 -6.690 -1.166 -9.162 1.00 0.00 C ATOM 0 H VAL A 60 -3.910 -1.712 -7.911 1.00 0.00 H new ATOM 0 HA VAL A 60 -4.358 0.178 -10.247 1.00 0.00 H new ATOM 0 HB VAL A 60 -5.808 0.014 -7.582 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -7.497 1.395 -8.820 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -5.900 2.182 -8.804 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -6.462 1.338 -10.267 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -7.708 -1.063 -8.786 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -6.705 -1.180 -10.252 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -6.259 -2.097 -8.793 1.00 0.00 H new ATOM 940 N PRO A 61 -2.212 1.097 -8.911 1.00 0.00 N ATOM 941 CA PRO A 61 -1.190 1.903 -8.182 1.00 0.00 C ATOM 942 C PRO A 61 -1.737 3.228 -7.637 1.00 0.00 C ATOM 943 O PRO A 61 -1.996 3.340 -6.450 1.00 0.00 O ATOM 944 CB PRO A 61 -0.042 2.068 -9.216 1.00 0.00 C ATOM 945 CG PRO A 61 -0.714 1.729 -10.580 1.00 0.00 C ATOM 946 CD PRO A 61 -1.691 0.602 -10.218 1.00 0.00 C ATOM 0 HA PRO A 61 -0.845 1.413 -7.272 1.00 0.00 H new ATOM 0 HB2 PRO A 61 0.359 3.082 -9.209 1.00 0.00 H new ATOM 0 HB3 PRO A 61 0.788 1.395 -9.002 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -1.232 2.592 -10.999 1.00 0.00 H new ATOM 0 HG3 PRO A 61 0.018 1.405 -11.320 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -2.480 0.484 -10.960 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -1.193 -0.363 -10.126 1.00 0.00 H new ATOM 954 N GLU A 62 -1.873 4.171 -8.510 1.00 0.00 N ATOM 955 CA GLU A 62 -2.384 5.515 -8.176 1.00 0.00 C ATOM 956 C GLU A 62 -3.333 5.912 -9.301 1.00 0.00 C ATOM 957 O GLU A 62 -3.643 5.160 -10.209 1.00 0.00 O ATOM 958 CB GLU A 62 -1.155 6.477 -8.044 1.00 0.00 C ATOM 959 CG GLU A 62 0.139 6.040 -8.827 1.00 0.00 C ATOM 960 CD GLU A 62 -0.090 6.079 -10.336 1.00 0.00 C ATOM 961 OE1 GLU A 62 -0.785 5.190 -10.791 1.00 0.00 O ATOM 962 OE2 GLU A 62 0.450 6.996 -10.919 1.00 0.00 O ATOM 0 H GLU A 62 -1.637 4.056 -9.496 1.00 0.00 H new ATOM 0 HA GLU A 62 -2.929 5.553 -7.233 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -1.452 7.466 -8.392 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -0.904 6.573 -6.988 1.00 0.00 H new ATOM 0 HG2 GLU A 62 0.966 6.700 -8.565 1.00 0.00 H new ATOM 0 HG3 GLU A 62 0.427 5.033 -8.526 1.00 0.00 H new ATOM 969 N GLY A 63 -3.822 7.103 -9.179 1.00 0.00 N ATOM 970 CA GLY A 63 -4.753 7.624 -10.222 1.00 0.00 C ATOM 971 C GLY A 63 -6.192 7.199 -9.998 1.00 0.00 C ATOM 972 O GLY A 63 -7.079 8.027 -10.029 1.00 0.00 O ATOM 0 H GLY A 63 -3.624 7.742 -8.409 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -4.700 8.713 -10.238 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -4.425 7.275 -11.201 1.00 0.00 H new ATOM 976 N THR A 64 -6.405 5.934 -9.786 1.00 0.00 N ATOM 977 CA THR A 64 -7.804 5.450 -9.562 1.00 0.00 C ATOM 978 C THR A 64 -7.958 5.191 -8.042 1.00 0.00 C ATOM 979 O THR A 64 -7.038 5.454 -7.293 1.00 0.00 O ATOM 980 CB THR A 64 -7.985 4.167 -10.410 1.00 0.00 C ATOM 981 OG1 THR A 64 -7.392 4.444 -11.675 1.00 0.00 O ATOM 982 CG2 THR A 64 -9.455 3.882 -10.799 1.00 0.00 C ATOM 0 H THR A 64 -5.682 5.215 -9.757 1.00 0.00 H new ATOM 0 HA THR A 64 -8.569 6.166 -9.864 1.00 0.00 H new ATOM 0 HB THR A 64 -7.575 3.342 -9.828 1.00 0.00 H new ATOM 0 HG1 THR A 64 -7.477 3.659 -12.255 1.00 0.00 H new ATOM 0 HG21 THR A 64 -9.504 2.968 -11.392 1.00 0.00 H new ATOM 0 HG22 THR A 64 -10.053 3.761 -9.896 1.00 0.00 H new ATOM 0 HG23 THR A 64 -9.845 4.715 -11.384 1.00 0.00 H new ATOM 990 N VAL A 65 -9.088 4.686 -7.619 1.00 0.00 N ATOM 991 CA VAL A 65 -9.321 4.414 -6.169 1.00 0.00 C ATOM 992 C VAL A 65 -9.301 2.887 -5.987 1.00 0.00 C ATOM 993 O VAL A 65 -9.667 2.172 -6.901 1.00 0.00 O ATOM 994 CB VAL A 65 -10.704 4.997 -5.799 1.00 0.00 C ATOM 995 CG1 VAL A 65 -10.965 4.935 -4.273 1.00 0.00 C ATOM 996 CG2 VAL A 65 -10.856 6.458 -6.297 1.00 0.00 C ATOM 0 H VAL A 65 -9.871 4.447 -8.227 1.00 0.00 H new ATOM 0 HA VAL A 65 -8.564 4.867 -5.529 1.00 0.00 H new ATOM 0 HB VAL A 65 -11.447 4.377 -6.301 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -11.947 5.354 -4.055 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -10.931 3.898 -3.940 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -10.201 5.509 -3.750 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -11.840 6.836 -6.020 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -10.086 7.080 -5.840 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -10.749 6.486 -7.381 1.00 0.00 H new ATOM 1006 N ALA A 66 -8.888 2.445 -4.832 1.00 0.00 N ATOM 1007 CA ALA A 66 -8.817 0.997 -4.505 1.00 0.00 C ATOM 1008 C ALA A 66 -9.642 0.780 -3.255 1.00 0.00 C ATOM 1009 O ALA A 66 -9.896 1.717 -2.527 1.00 0.00 O ATOM 1010 CB ALA A 66 -7.381 0.679 -4.270 1.00 0.00 C ATOM 0 H ALA A 66 -8.585 3.055 -4.073 1.00 0.00 H new ATOM 0 HA ALA A 66 -9.202 0.356 -5.298 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -7.278 -0.378 -4.025 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -6.807 0.901 -5.170 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -7.006 1.281 -3.443 1.00 0.00 H new ATOM 1016 N THR A 67 -10.023 -0.434 -3.025 1.00 0.00 N ATOM 1017 CA THR A 67 -10.838 -0.737 -1.824 1.00 0.00 C ATOM 1018 C THR A 67 -9.995 -1.650 -0.920 1.00 0.00 C ATOM 1019 O THR A 67 -8.783 -1.731 -1.024 1.00 0.00 O ATOM 1020 CB THR A 67 -12.164 -1.372 -2.388 1.00 0.00 C ATOM 1021 OG1 THR A 67 -13.005 -1.640 -1.273 1.00 0.00 O ATOM 1022 CG2 THR A 67 -11.930 -2.714 -3.102 1.00 0.00 C ATOM 0 H THR A 67 -9.806 -1.235 -3.617 1.00 0.00 H new ATOM 0 HA THR A 67 -11.113 0.114 -1.201 1.00 0.00 H new ATOM 0 HB THR A 67 -12.592 -0.674 -3.108 1.00 0.00 H new ATOM 0 HG1 THR A 67 -12.953 -0.896 -0.638 1.00 0.00 H new ATOM 0 HG21 THR A 67 -12.880 -3.102 -3.469 1.00 0.00 H new ATOM 0 HG22 THR A 67 -11.251 -2.566 -3.941 1.00 0.00 H new ATOM 0 HG23 THR A 67 -11.493 -3.427 -2.403 1.00 0.00 H new ATOM 1030 N VAL A 68 -10.698 -2.291 -0.048 1.00 0.00 N ATOM 1031 CA VAL A 68 -10.152 -3.259 0.929 1.00 0.00 C ATOM 1032 C VAL A 68 -10.992 -4.440 0.432 1.00 0.00 C ATOM 1033 O VAL A 68 -12.068 -4.271 -0.120 1.00 0.00 O ATOM 1034 CB VAL A 68 -10.576 -3.006 2.334 1.00 0.00 C ATOM 1035 CG1 VAL A 68 -10.087 -4.186 3.249 1.00 0.00 C ATOM 1036 CG2 VAL A 68 -9.857 -1.784 2.688 1.00 0.00 C ATOM 0 H VAL A 68 -11.708 -2.173 0.032 1.00 0.00 H new ATOM 0 HA VAL A 68 -9.064 -3.307 0.966 1.00 0.00 H new ATOM 0 HB VAL A 68 -11.656 -2.922 2.452 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -10.397 -4.001 4.278 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -10.524 -5.122 2.901 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -9.000 -4.255 3.204 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -10.098 -1.504 3.713 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -8.784 -1.955 2.602 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -10.152 -0.980 2.013 1.00 0.00 H new ATOM 1046 N GLY A 69 -10.486 -5.615 0.642 1.00 0.00 N ATOM 1047 CA GLY A 69 -11.238 -6.820 0.184 1.00 0.00 C ATOM 1048 C GLY A 69 -10.470 -7.195 -1.086 1.00 0.00 C ATOM 1049 O GLY A 69 -10.252 -8.345 -1.400 1.00 0.00 O ATOM 0 H GLY A 69 -9.596 -5.799 1.105 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -11.221 -7.620 0.924 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -12.285 -6.597 -0.021 1.00 0.00 H new ATOM 1053 N GLN A 70 -10.079 -6.156 -1.772 1.00 0.00 N ATOM 1054 CA GLN A 70 -9.313 -6.240 -3.034 1.00 0.00 C ATOM 1055 C GLN A 70 -7.898 -6.031 -2.520 1.00 0.00 C ATOM 1056 O GLN A 70 -7.692 -5.495 -1.442 1.00 0.00 O ATOM 1057 CB GLN A 70 -9.661 -5.060 -3.956 1.00 0.00 C ATOM 1058 CG GLN A 70 -9.195 -5.276 -5.408 1.00 0.00 C ATOM 1059 CD GLN A 70 -9.477 -3.981 -6.166 1.00 0.00 C ATOM 1060 OE1 GLN A 70 -10.578 -3.474 -6.148 1.00 0.00 O ATOM 1061 NE2 GLN A 70 -8.536 -3.398 -6.838 1.00 0.00 N ATOM 0 H GLN A 70 -10.276 -5.198 -1.483 1.00 0.00 H new ATOM 0 HA GLN A 70 -9.491 -7.156 -3.598 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -10.740 -4.903 -3.945 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -9.203 -4.152 -3.564 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -8.133 -5.518 -5.440 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -9.726 -6.112 -5.863 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -7.602 -3.807 -6.867 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -8.729 -2.530 -7.338 1.00 0.00 H new ATOM 1070 N THR A 71 -6.965 -6.452 -3.302 1.00 0.00 N ATOM 1071 CA THR A 71 -5.568 -6.282 -2.900 1.00 0.00 C ATOM 1072 C THR A 71 -5.223 -4.984 -3.653 1.00 0.00 C ATOM 1073 O THR A 71 -6.027 -4.413 -4.373 1.00 0.00 O ATOM 1074 CB THR A 71 -4.758 -7.435 -3.431 1.00 0.00 C ATOM 1075 OG1 THR A 71 -5.632 -8.561 -3.436 1.00 0.00 O ATOM 1076 CG2 THR A 71 -3.573 -7.820 -2.517 1.00 0.00 C ATOM 0 H THR A 71 -7.112 -6.907 -4.203 1.00 0.00 H new ATOM 0 HA THR A 71 -5.383 -6.245 -1.826 1.00 0.00 H new ATOM 0 HB THR A 71 -4.360 -7.152 -4.405 1.00 0.00 H new ATOM 0 HG1 THR A 71 -5.153 -9.345 -3.777 1.00 0.00 H new ATOM 0 HG21 THR A 71 -3.031 -8.657 -2.957 1.00 0.00 H new ATOM 0 HG22 THR A 71 -2.902 -6.967 -2.413 1.00 0.00 H new ATOM 0 HG23 THR A 71 -3.949 -8.108 -1.535 1.00 0.00 H new ATOM 1084 N LEU A 72 -4.010 -4.576 -3.461 1.00 0.00 N ATOM 1085 CA LEU A 72 -3.530 -3.337 -4.117 1.00 0.00 C ATOM 1086 C LEU A 72 -2.131 -3.636 -4.583 1.00 0.00 C ATOM 1087 O LEU A 72 -1.852 -3.700 -5.758 1.00 0.00 O ATOM 1088 CB LEU A 72 -3.498 -2.141 -3.110 1.00 0.00 C ATOM 1089 CG LEU A 72 -2.969 -0.873 -3.856 1.00 0.00 C ATOM 1090 CD1 LEU A 72 -4.000 -0.427 -4.910 1.00 0.00 C ATOM 1091 CD2 LEU A 72 -2.759 0.295 -2.876 1.00 0.00 C ATOM 0 H LEU A 72 -3.323 -5.050 -2.874 1.00 0.00 H new ATOM 0 HA LEU A 72 -4.190 -3.052 -4.936 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -4.495 -1.956 -2.711 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -2.854 -2.377 -2.263 1.00 0.00 H new ATOM 0 HG LEU A 72 -2.019 -1.132 -4.324 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -3.630 0.457 -5.429 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -4.157 -1.231 -5.629 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -4.944 -0.191 -4.419 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -2.391 1.165 -3.420 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -3.706 0.542 -2.396 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -2.031 0.007 -2.117 1.00 0.00 H new ATOM 1103 N ILE A 73 -1.280 -3.812 -3.627 1.00 0.00 N ATOM 1104 CA ILE A 73 0.146 -4.114 -3.897 1.00 0.00 C ATOM 1105 C ILE A 73 0.451 -5.219 -2.923 1.00 0.00 C ATOM 1106 O ILE A 73 -0.304 -5.402 -1.980 1.00 0.00 O ATOM 1107 CB ILE A 73 0.960 -2.784 -3.641 1.00 0.00 C ATOM 1108 CG1 ILE A 73 2.515 -2.995 -3.555 1.00 0.00 C ATOM 1109 CG2 ILE A 73 0.419 -2.040 -2.379 1.00 0.00 C ATOM 1110 CD1 ILE A 73 2.994 -3.372 -2.122 1.00 0.00 C ATOM 0 H ILE A 73 -1.518 -3.758 -2.637 1.00 0.00 H new ATOM 0 HA ILE A 73 0.395 -4.431 -4.910 1.00 0.00 H new ATOM 0 HB ILE A 73 0.800 -2.158 -4.519 1.00 0.00 H new ATOM 0 HG12 ILE A 73 2.809 -3.781 -4.250 1.00 0.00 H new ATOM 0 HG13 ILE A 73 3.019 -2.083 -3.873 1.00 0.00 H new ATOM 0 HG21 ILE A 73 0.993 -1.127 -2.221 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -0.631 -1.787 -2.528 1.00 0.00 H new ATOM 0 HG23 ILE A 73 0.516 -2.686 -1.506 1.00 0.00 H new ATOM 0 HD11 ILE A 73 4.076 -3.505 -2.123 1.00 0.00 H new ATOM 0 HD12 ILE A 73 2.727 -2.575 -1.428 1.00 0.00 H new ATOM 0 HD13 ILE A 73 2.515 -4.300 -1.810 1.00 0.00 H new ATOM 1122 N THR A 74 1.510 -5.904 -3.199 1.00 0.00 N ATOM 1123 CA THR A 74 1.930 -7.010 -2.317 1.00 0.00 C ATOM 1124 C THR A 74 3.442 -6.878 -2.181 1.00 0.00 C ATOM 1125 O THR A 74 4.130 -6.304 -3.011 1.00 0.00 O ATOM 1126 CB THR A 74 1.525 -8.357 -2.959 1.00 0.00 C ATOM 1127 OG1 THR A 74 2.190 -9.349 -2.176 1.00 0.00 O ATOM 1128 CG2 THR A 74 2.087 -8.510 -4.366 1.00 0.00 C ATOM 0 H THR A 74 2.111 -5.744 -4.008 1.00 0.00 H new ATOM 0 HA THR A 74 1.457 -6.973 -1.336 1.00 0.00 H new ATOM 0 HB THR A 74 0.438 -8.432 -2.998 1.00 0.00 H new ATOM 0 HG1 THR A 74 1.977 -10.239 -2.526 1.00 0.00 H new ATOM 0 HG21 THR A 74 1.778 -9.470 -4.779 1.00 0.00 H new ATOM 0 HG22 THR A 74 1.711 -7.705 -4.998 1.00 0.00 H new ATOM 0 HG23 THR A 74 3.175 -8.464 -4.330 1.00 0.00 H new ATOM 1136 N LEU A 75 3.878 -7.452 -1.116 1.00 0.00 N ATOM 1137 CA LEU A 75 5.305 -7.492 -0.712 1.00 0.00 C ATOM 1138 C LEU A 75 5.520 -8.916 -0.231 1.00 0.00 C ATOM 1139 O LEU A 75 4.583 -9.539 0.252 1.00 0.00 O ATOM 1140 CB LEU A 75 5.487 -6.483 0.395 1.00 0.00 C ATOM 1141 CG LEU A 75 6.767 -5.626 0.318 1.00 0.00 C ATOM 1142 CD1 LEU A 75 6.580 -4.385 1.224 1.00 0.00 C ATOM 1143 CD2 LEU A 75 8.000 -6.424 0.801 1.00 0.00 C ATOM 0 H LEU A 75 3.262 -7.931 -0.459 1.00 0.00 H new ATOM 0 HA LEU A 75 6.015 -7.246 -1.502 1.00 0.00 H new ATOM 0 HB2 LEU A 75 4.625 -5.816 0.398 1.00 0.00 H new ATOM 0 HB3 LEU A 75 5.484 -7.012 1.348 1.00 0.00 H new ATOM 0 HG LEU A 75 6.934 -5.331 -0.718 1.00 0.00 H new ATOM 0 HD11 LEU A 75 7.476 -3.766 1.183 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.723 -3.807 0.877 1.00 0.00 H new ATOM 0 HD13 LEU A 75 6.409 -4.707 2.251 1.00 0.00 H new ATOM 0 HD21 LEU A 75 8.888 -5.796 0.736 1.00 0.00 H new ATOM 0 HD22 LEU A 75 7.850 -6.735 1.835 1.00 0.00 H new ATOM 0 HD23 LEU A 75 8.132 -7.305 0.173 1.00 0.00 H new ATOM 1155 N ASP A 76 6.715 -9.400 -0.367 1.00 0.00 N ATOM 1156 CA ASP A 76 7.028 -10.787 0.089 1.00 0.00 C ATOM 1157 C ASP A 76 7.999 -10.451 1.213 1.00 0.00 C ATOM 1158 O ASP A 76 8.656 -9.429 1.165 1.00 0.00 O ATOM 1159 CB ASP A 76 7.668 -11.588 -1.087 1.00 0.00 C ATOM 1160 CG ASP A 76 9.185 -11.477 -1.181 1.00 0.00 C ATOM 1161 OD1 ASP A 76 9.660 -10.564 -1.832 1.00 0.00 O ATOM 1162 OD2 ASP A 76 9.788 -12.339 -0.581 1.00 0.00 O ATOM 0 H ASP A 76 7.500 -8.895 -0.778 1.00 0.00 H new ATOM 0 HA ASP A 76 6.198 -11.417 0.407 1.00 0.00 H new ATOM 0 HB2 ASP A 76 7.400 -12.639 -0.981 1.00 0.00 H new ATOM 0 HB3 ASP A 76 7.233 -11.241 -2.024 1.00 0.00 H new ATOM 1167 N ALA A 77 8.063 -11.289 2.199 1.00 0.00 N ATOM 1168 CA ALA A 77 8.994 -11.013 3.343 1.00 0.00 C ATOM 1169 C ALA A 77 10.063 -12.071 3.495 1.00 0.00 C ATOM 1170 O ALA A 77 11.176 -11.726 3.855 1.00 0.00 O ATOM 1171 CB ALA A 77 8.169 -10.895 4.662 1.00 0.00 C ATOM 0 H ALA A 77 7.520 -12.150 2.273 1.00 0.00 H new ATOM 0 HA ALA A 77 9.507 -10.075 3.130 1.00 0.00 H new ATOM 0 HB1 ALA A 77 8.842 -10.694 5.496 1.00 0.00 H new ATOM 0 HB2 ALA A 77 7.452 -10.079 4.571 1.00 0.00 H new ATOM 0 HB3 ALA A 77 7.636 -11.829 4.843 1.00 0.00 H new ATOM 1177 N PRO A 78 9.688 -13.302 3.241 1.00 0.00 N ATOM 1178 CA PRO A 78 8.648 -14.046 4.005 1.00 0.00 C ATOM 1179 C PRO A 78 9.163 -14.220 5.448 1.00 0.00 C ATOM 1180 O PRO A 78 10.240 -13.762 5.769 1.00 0.00 O ATOM 1181 CB PRO A 78 8.471 -15.356 3.193 1.00 0.00 C ATOM 1182 CG PRO A 78 9.003 -14.960 1.767 1.00 0.00 C ATOM 1183 CD PRO A 78 10.240 -14.103 2.121 1.00 0.00 C ATOM 0 HA PRO A 78 7.677 -13.562 4.111 1.00 0.00 H new ATOM 0 HB2 PRO A 78 9.042 -16.178 3.623 1.00 0.00 H new ATOM 0 HB3 PRO A 78 7.429 -15.674 3.161 1.00 0.00 H new ATOM 0 HG2 PRO A 78 9.267 -15.834 1.171 1.00 0.00 H new ATOM 0 HG3 PRO A 78 8.265 -14.397 1.196 1.00 0.00 H new ATOM 0 HD2 PRO A 78 11.094 -14.709 2.424 1.00 0.00 H new ATOM 0 HD3 PRO A 78 10.569 -13.482 1.288 1.00 0.00 H new ATOM 1191 N GLY A 79 8.411 -14.868 6.282 1.00 0.00 N ATOM 1192 CA GLY A 79 8.846 -15.071 7.703 1.00 0.00 C ATOM 1193 C GLY A 79 7.670 -14.512 8.473 1.00 0.00 C ATOM 1194 O GLY A 79 7.273 -15.044 9.491 1.00 0.00 O ATOM 0 H GLY A 79 7.505 -15.273 6.048 1.00 0.00 H new ATOM 0 HA2 GLY A 79 9.020 -16.123 7.930 1.00 0.00 H new ATOM 0 HA3 GLY A 79 9.771 -14.539 7.927 1.00 0.00 H new ATOM 1198 N TYR A 80 7.184 -13.441 7.920 1.00 0.00 N ATOM 1199 CA TYR A 80 6.025 -12.690 8.445 1.00 0.00 C ATOM 1200 C TYR A 80 5.065 -12.717 7.231 1.00 0.00 C ATOM 1201 O TYR A 80 5.484 -13.159 6.161 1.00 0.00 O ATOM 1202 CB TYR A 80 6.351 -11.192 8.760 1.00 0.00 C ATOM 1203 CG TYR A 80 7.847 -10.816 8.730 1.00 0.00 C ATOM 1204 CD1 TYR A 80 8.810 -11.545 9.411 1.00 0.00 C ATOM 1205 CD2 TYR A 80 8.251 -9.707 8.012 1.00 0.00 C ATOM 1206 CE1 TYR A 80 10.144 -11.162 9.364 1.00 0.00 C ATOM 1207 CE2 TYR A 80 9.575 -9.340 7.976 1.00 0.00 C ATOM 1208 CZ TYR A 80 10.529 -10.046 8.638 1.00 0.00 C ATOM 1209 OH TYR A 80 11.832 -9.602 8.523 1.00 0.00 O ATOM 1210 OXT TYR A 80 3.956 -12.275 7.449 1.00 0.00 O ATOM 0 H TYR A 80 7.574 -13.035 7.070 1.00 0.00 H new ATOM 0 HA TYR A 80 5.655 -13.118 9.377 1.00 0.00 H new ATOM 0 HB2 TYR A 80 5.822 -10.565 8.042 1.00 0.00 H new ATOM 0 HB3 TYR A 80 5.954 -10.952 9.746 1.00 0.00 H new ATOM 0 HD1 TYR A 80 8.521 -12.416 9.981 1.00 0.00 H new ATOM 0 HD2 TYR A 80 7.519 -9.123 7.474 1.00 0.00 H new ATOM 0 HE1 TYR A 80 10.886 -11.738 9.897 1.00 0.00 H new ATOM 0 HE2 TYR A 80 9.865 -8.469 7.407 1.00 0.00 H new ATOM 0 HH TYR A 80 11.834 -8.652 8.281 1.00 0.00 H new TER 1220 TYR A 80