USER MOD reduce.3.24.130724 H: found=0, std=0, add=710, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 707 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 71 THR OG1 : rot 130:sc= 0.776 USER MOD Set 1.2: A 73 SER OG : rot 180:sc= 0.667 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 142:sc= 0.00571 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.0909 USER MOD Single : A 12 HIS : no HE2:sc= -3.41 K(o=-3.4,f=-6.9!) USER MOD Single : A 16 LYS NZ :NH3+ -166:sc=-0.00282 (180deg=-0.146) USER MOD Single : A 18 LYS NZ :NH3+ -171:sc= 1.12 (180deg=1.06) USER MOD Single : A 21 SER OG : rot -0:sc= 1.04 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 163:sc= 1.94 (180deg=1.49) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 33 ASN : amide:sc= -0.227 X(o=-0.23,f=-0.52) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.235 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 30:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 161:sc= 0.777 (180deg=-0.706!) USER MOD Single : A 60 TYR OH : rot -156:sc= 0.106 USER MOD Single : A 61 SER OG : rot 180:sc= 0.186 USER MOD Single : A 65 SER OG : rot 180:sc= -0.0137 USER MOD Single : A 66 LYS NZ :NH3+ 129:sc= 0.982 (180deg=-0.728) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 15.706 -0.705 -10.481 1.00 0.00 N ATOM 2 CA MET A 1 14.461 -1.319 -10.016 1.00 0.00 C ATOM 3 C MET A 1 13.979 -0.557 -8.793 1.00 0.00 C ATOM 4 O MET A 1 14.732 -0.335 -7.842 1.00 0.00 O ATOM 5 CB MET A 1 14.624 -2.814 -9.708 1.00 0.00 C ATOM 6 CG MET A 1 13.268 -3.499 -9.469 1.00 0.00 C ATOM 7 SD MET A 1 13.157 -4.535 -7.979 1.00 0.00 S ATOM 8 CE MET A 1 13.246 -3.289 -6.662 1.00 0.00 C ATOM 0 H1 MET A 1 16.357 -1.446 -10.809 1.00 0.00 H new ATOM 0 H2 MET A 1 15.500 -0.053 -11.265 1.00 0.00 H new ATOM 0 H3 MET A 1 16.146 -0.178 -9.700 1.00 0.00 H new ATOM 0 HA MET A 1 13.720 -1.258 -10.813 1.00 0.00 H new ATOM 0 HB2 MET A 1 15.137 -3.302 -10.537 1.00 0.00 H new ATOM 0 HB3 MET A 1 15.254 -2.937 -8.827 1.00 0.00 H new ATOM 0 HG2 MET A 1 12.498 -2.729 -9.412 1.00 0.00 H new ATOM 0 HG3 MET A 1 13.036 -4.117 -10.336 1.00 0.00 H new ATOM 0 HE1 MET A 1 13.190 -3.781 -5.691 1.00 0.00 H new ATOM 0 HE2 MET A 1 14.187 -2.745 -6.739 1.00 0.00 H new ATOM 0 HE3 MET A 1 12.415 -2.592 -6.764 1.00 0.00 H new ATOM 18 N ALA A 2 12.708 -0.174 -8.800 1.00 0.00 N ATOM 19 CA ALA A 2 12.001 0.349 -7.655 1.00 0.00 C ATOM 20 C ALA A 2 10.562 -0.152 -7.733 1.00 0.00 C ATOM 21 O ALA A 2 10.113 -0.610 -8.791 1.00 0.00 O ATOM 22 CB ALA A 2 12.086 1.880 -7.671 1.00 0.00 C ATOM 0 H ALA A 2 12.127 -0.224 -9.637 1.00 0.00 H new ATOM 0 HA ALA A 2 12.438 0.011 -6.716 1.00 0.00 H new ATOM 0 HB1 ALA A 2 11.554 2.283 -6.809 1.00 0.00 H new ATOM 0 HB2 ALA A 2 13.131 2.187 -7.629 1.00 0.00 H new ATOM 0 HB3 ALA A 2 11.633 2.260 -8.587 1.00 0.00 H new ATOM 28 N LEU A 3 9.839 -0.043 -6.621 1.00 0.00 N ATOM 29 CA LEU A 3 8.421 -0.371 -6.543 1.00 0.00 C ATOM 30 C LEU A 3 7.704 0.969 -6.434 1.00 0.00 C ATOM 31 O LEU A 3 7.568 1.527 -5.344 1.00 0.00 O ATOM 32 CB LEU A 3 8.150 -1.364 -5.392 1.00 0.00 C ATOM 33 CG LEU A 3 8.905 -2.701 -5.573 1.00 0.00 C ATOM 34 CD1 LEU A 3 8.750 -3.587 -4.337 1.00 0.00 C ATOM 35 CD2 LEU A 3 8.427 -3.496 -6.797 1.00 0.00 C ATOM 0 H LEU A 3 10.230 0.281 -5.736 1.00 0.00 H new ATOM 0 HA LEU A 3 8.046 -0.900 -7.419 1.00 0.00 H new ATOM 0 HB2 LEU A 3 8.445 -0.909 -4.447 1.00 0.00 H new ATOM 0 HB3 LEU A 3 7.080 -1.560 -5.330 1.00 0.00 H new ATOM 0 HG LEU A 3 9.950 -2.431 -5.722 1.00 0.00 H new ATOM 0 HD11 LEU A 3 9.290 -4.521 -4.489 1.00 0.00 H new ATOM 0 HD12 LEU A 3 9.155 -3.071 -3.466 1.00 0.00 H new ATOM 0 HD13 LEU A 3 7.694 -3.801 -4.173 1.00 0.00 H new ATOM 0 HD21 LEU A 3 8.993 -4.424 -6.872 1.00 0.00 H new ATOM 0 HD22 LEU A 3 7.367 -3.725 -6.690 1.00 0.00 H new ATOM 0 HD23 LEU A 3 8.581 -2.903 -7.699 1.00 0.00 H new ATOM 47 N VAL A 4 7.354 1.538 -7.590 1.00 0.00 N ATOM 48 CA VAL A 4 6.809 2.888 -7.721 1.00 0.00 C ATOM 49 C VAL A 4 5.508 2.840 -8.530 1.00 0.00 C ATOM 50 O VAL A 4 5.219 3.687 -9.378 1.00 0.00 O ATOM 51 CB VAL A 4 7.894 3.833 -8.293 1.00 0.00 C ATOM 52 CG1 VAL A 4 7.356 5.249 -8.562 1.00 0.00 C ATOM 53 CG2 VAL A 4 9.097 3.912 -7.337 1.00 0.00 C ATOM 0 H VAL A 4 7.445 1.057 -8.485 1.00 0.00 H new ATOM 0 HA VAL A 4 6.539 3.302 -6.750 1.00 0.00 H new ATOM 0 HB VAL A 4 8.208 3.410 -9.247 1.00 0.00 H new ATOM 0 HG11 VAL A 4 8.156 5.872 -8.962 1.00 0.00 H new ATOM 0 HG12 VAL A 4 6.541 5.197 -9.284 1.00 0.00 H new ATOM 0 HG13 VAL A 4 6.990 5.682 -7.631 1.00 0.00 H new ATOM 0 HG21 VAL A 4 9.850 4.580 -7.754 1.00 0.00 H new ATOM 0 HG22 VAL A 4 8.769 4.294 -6.370 1.00 0.00 H new ATOM 0 HG23 VAL A 4 9.525 2.918 -7.208 1.00 0.00 H new ATOM 63 N LEU A 5 4.692 1.825 -8.303 1.00 0.00 N ATOM 64 CA LEU A 5 3.433 1.682 -9.002 1.00 0.00 C ATOM 65 C LEU A 5 2.610 0.595 -8.331 1.00 0.00 C ATOM 66 O LEU A 5 2.947 -0.582 -8.422 1.00 0.00 O ATOM 67 CB LEU A 5 3.629 1.393 -10.503 1.00 0.00 C ATOM 68 CG LEU A 5 4.750 0.389 -10.868 1.00 0.00 C ATOM 69 CD1 LEU A 5 4.276 -0.516 -12.005 1.00 0.00 C ATOM 70 CD2 LEU A 5 6.054 1.046 -11.345 1.00 0.00 C ATOM 0 H LEU A 5 4.885 1.082 -7.632 1.00 0.00 H new ATOM 0 HA LEU A 5 2.896 2.629 -8.944 1.00 0.00 H new ATOM 0 HB2 LEU A 5 2.688 1.016 -10.904 1.00 0.00 H new ATOM 0 HB3 LEU A 5 3.836 2.336 -11.009 1.00 0.00 H new ATOM 0 HG LEU A 5 4.958 -0.156 -9.947 1.00 0.00 H new ATOM 0 HD11 LEU A 5 5.066 -1.222 -12.261 1.00 0.00 H new ATOM 0 HD12 LEU A 5 3.388 -1.063 -11.688 1.00 0.00 H new ATOM 0 HD13 LEU A 5 4.036 0.092 -12.877 1.00 0.00 H new ATOM 0 HD21 LEU A 5 6.786 0.273 -11.580 1.00 0.00 H new ATOM 0 HD22 LEU A 5 5.856 1.642 -12.236 1.00 0.00 H new ATOM 0 HD23 LEU A 5 6.446 1.690 -10.558 1.00 0.00 H new ATOM 82 N VAL A 6 1.515 0.960 -7.667 1.00 0.00 N ATOM 83 CA VAL A 6 0.683 0.022 -6.912 1.00 0.00 C ATOM 84 C VAL A 6 -0.780 0.125 -7.357 1.00 0.00 C ATOM 85 O VAL A 6 -1.693 0.158 -6.545 1.00 0.00 O ATOM 86 CB VAL A 6 0.929 0.209 -5.398 1.00 0.00 C ATOM 87 CG1 VAL A 6 0.695 1.665 -4.971 1.00 0.00 C ATOM 88 CG2 VAL A 6 0.157 -0.766 -4.500 1.00 0.00 C ATOM 0 H VAL A 6 1.177 1.922 -7.637 1.00 0.00 H new ATOM 0 HA VAL A 6 0.965 -1.009 -7.128 1.00 0.00 H new ATOM 0 HB VAL A 6 1.980 -0.038 -5.248 1.00 0.00 H new ATOM 0 HG11 VAL A 6 0.876 1.764 -3.901 1.00 0.00 H new ATOM 0 HG12 VAL A 6 1.376 2.318 -5.516 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -0.334 1.948 -5.193 1.00 0.00 H new ATOM 0 HG21 VAL A 6 0.391 -0.561 -3.455 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -0.913 -0.641 -4.663 1.00 0.00 H new ATOM 0 HG23 VAL A 6 0.444 -1.789 -4.742 1.00 0.00 H new ATOM 98 N LYS A 7 -1.047 0.185 -8.657 1.00 0.00 N ATOM 99 CA LYS A 7 -2.416 0.272 -9.167 1.00 0.00 C ATOM 100 C LYS A 7 -2.737 -0.906 -10.082 1.00 0.00 C ATOM 101 O LYS A 7 -3.578 -0.786 -10.975 1.00 0.00 O ATOM 102 CB LYS A 7 -2.584 1.606 -9.904 1.00 0.00 C ATOM 103 CG LYS A 7 -1.647 1.767 -11.107 1.00 0.00 C ATOM 104 CD LYS A 7 -2.439 2.195 -12.344 1.00 0.00 C ATOM 105 CE LYS A 7 -1.436 2.598 -13.414 1.00 0.00 C ATOM 106 NZ LYS A 7 -2.009 2.521 -14.777 1.00 0.00 N ATOM 0 H LYS A 7 -0.331 0.175 -9.383 1.00 0.00 H new ATOM 0 HA LYS A 7 -3.117 0.228 -8.333 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -3.616 1.696 -10.244 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -2.406 2.423 -9.204 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -0.881 2.509 -10.883 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -1.132 0.827 -11.304 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -3.069 1.378 -12.697 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -3.101 3.028 -12.106 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -1.093 3.615 -13.223 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -0.562 1.950 -13.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -1.290 2.804 -15.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -2.313 1.546 -14.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -2.828 3.159 -14.846 1.00 0.00 H new ATOM 120 N TYR A 8 -2.220 -2.090 -9.754 1.00 0.00 N ATOM 121 CA TYR A 8 -2.474 -3.291 -10.545 1.00 0.00 C ATOM 122 C TYR A 8 -2.702 -4.465 -9.596 1.00 0.00 C ATOM 123 O TYR A 8 -2.373 -5.611 -9.903 1.00 0.00 O ATOM 124 CB TYR A 8 -1.237 -3.512 -11.453 1.00 0.00 C ATOM 125 CG TYR A 8 -1.552 -3.845 -12.892 1.00 0.00 C ATOM 126 CD1 TYR A 8 -2.009 -5.128 -13.246 1.00 0.00 C ATOM 127 CD2 TYR A 8 -1.375 -2.859 -13.883 1.00 0.00 C ATOM 128 CE1 TYR A 8 -2.383 -5.398 -14.573 1.00 0.00 C ATOM 129 CE2 TYR A 8 -1.724 -3.132 -15.215 1.00 0.00 C ATOM 130 CZ TYR A 8 -2.268 -4.388 -15.553 1.00 0.00 C ATOM 131 OH TYR A 8 -2.638 -4.632 -16.838 1.00 0.00 O ATOM 0 H TYR A 8 -1.621 -2.242 -8.943 1.00 0.00 H new ATOM 0 HA TYR A 8 -3.363 -3.195 -11.169 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -0.623 -2.612 -11.430 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -0.636 -4.318 -11.033 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -2.072 -5.905 -12.498 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -0.971 -1.893 -13.618 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -2.757 -6.375 -14.843 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -1.576 -2.382 -15.978 1.00 0.00 H new ATOM 0 HH TYR A 8 -2.494 -3.827 -17.378 1.00 0.00 H new ATOM 141 N GLY A 9 -3.365 -4.190 -8.468 1.00 0.00 N ATOM 142 CA GLY A 9 -3.224 -4.995 -7.272 1.00 0.00 C ATOM 143 C GLY A 9 -1.739 -5.136 -6.974 1.00 0.00 C ATOM 144 O GLY A 9 -1.072 -4.256 -6.424 1.00 0.00 O ATOM 0 H GLY A 9 -4.009 -3.405 -8.368 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -3.738 -4.525 -6.433 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -3.679 -5.975 -7.416 1.00 0.00 H new ATOM 148 N THR A 10 -1.203 -6.231 -7.449 1.00 0.00 N ATOM 149 CA THR A 10 -0.216 -7.025 -6.760 1.00 0.00 C ATOM 150 C THR A 10 1.230 -6.621 -7.080 1.00 0.00 C ATOM 151 O THR A 10 2.103 -7.464 -7.266 1.00 0.00 O ATOM 152 CB THR A 10 -0.544 -8.503 -7.002 1.00 0.00 C ATOM 153 OG1 THR A 10 -1.253 -8.713 -8.223 1.00 0.00 O ATOM 154 CG2 THR A 10 -1.469 -9.000 -5.879 1.00 0.00 C ATOM 0 H THR A 10 -1.452 -6.610 -8.363 1.00 0.00 H new ATOM 0 HA THR A 10 -0.271 -6.834 -5.688 1.00 0.00 H new ATOM 0 HB THR A 10 0.407 -9.034 -7.037 1.00 0.00 H new ATOM 0 HG1 THR A 10 -1.438 -9.669 -8.334 1.00 0.00 H new ATOM 0 HG21 THR A 10 -1.708 -10.051 -6.043 1.00 0.00 H new ATOM 0 HG22 THR A 10 -0.967 -8.887 -4.918 1.00 0.00 H new ATOM 0 HG23 THR A 10 -2.388 -8.415 -5.879 1.00 0.00 H new ATOM 162 N ASP A 11 1.547 -5.325 -7.072 1.00 0.00 N ATOM 163 CA ASP A 11 2.763 -4.846 -7.730 1.00 0.00 C ATOM 164 C ASP A 11 3.674 -4.018 -6.793 1.00 0.00 C ATOM 165 O ASP A 11 4.274 -3.022 -7.202 1.00 0.00 O ATOM 166 CB ASP A 11 2.258 -4.039 -8.933 1.00 0.00 C ATOM 167 CG ASP A 11 3.268 -3.743 -10.040 1.00 0.00 C ATOM 168 OD1 ASP A 11 4.475 -4.070 -9.935 1.00 0.00 O ATOM 169 OD2 ASP A 11 2.806 -3.211 -11.073 1.00 0.00 O ATOM 0 H ASP A 11 0.988 -4.598 -6.625 1.00 0.00 H new ATOM 0 HA ASP A 11 3.406 -5.672 -8.035 1.00 0.00 H new ATOM 0 HB2 ASP A 11 1.419 -4.577 -9.374 1.00 0.00 H new ATOM 0 HB3 ASP A 11 1.870 -3.089 -8.565 1.00 0.00 H new ATOM 174 N HIS A 12 3.799 -4.407 -5.511 1.00 0.00 N ATOM 175 CA HIS A 12 4.588 -3.695 -4.486 1.00 0.00 C ATOM 176 C HIS A 12 4.716 -4.514 -3.187 1.00 0.00 C ATOM 177 O HIS A 12 4.098 -5.568 -3.089 1.00 0.00 O ATOM 178 CB HIS A 12 3.942 -2.311 -4.224 1.00 0.00 C ATOM 179 CG HIS A 12 2.922 -2.253 -3.119 1.00 0.00 C ATOM 180 ND1 HIS A 12 2.089 -3.266 -2.707 1.00 0.00 N ATOM 181 CD2 HIS A 12 2.680 -1.173 -2.319 1.00 0.00 C ATOM 182 CE1 HIS A 12 1.381 -2.811 -1.666 1.00 0.00 C ATOM 183 NE2 HIS A 12 1.690 -1.535 -1.400 1.00 0.00 N ATOM 0 H HIS A 12 3.344 -5.245 -5.149 1.00 0.00 H new ATOM 0 HA HIS A 12 5.603 -3.554 -4.858 1.00 0.00 H new ATOM 0 HB2 HIS A 12 4.736 -1.600 -3.995 1.00 0.00 H new ATOM 0 HB3 HIS A 12 3.468 -1.974 -5.146 1.00 0.00 H new ATOM 0 HD1 HIS A 12 2.022 -4.196 -3.120 1.00 0.00 H new ATOM 0 HD2 HIS A 12 3.166 -0.211 -2.384 1.00 0.00 H new ATOM 0 HE1 HIS A 12 0.658 -3.394 -1.115 1.00 0.00 H new ATOM 191 N PRO A 13 5.493 -4.096 -2.174 1.00 0.00 N ATOM 192 CA PRO A 13 5.612 -4.842 -0.923 1.00 0.00 C ATOM 193 C PRO A 13 4.394 -4.645 -0.014 1.00 0.00 C ATOM 194 O PRO A 13 3.731 -3.645 -0.166 1.00 0.00 O ATOM 195 CB PRO A 13 6.876 -4.269 -0.295 1.00 0.00 C ATOM 196 CG PRO A 13 7.057 -2.859 -0.848 1.00 0.00 C ATOM 197 CD PRO A 13 6.150 -2.801 -2.067 1.00 0.00 C ATOM 0 HA PRO A 13 5.661 -5.919 -1.082 1.00 0.00 H new ATOM 0 HB2 PRO A 13 6.790 -4.248 0.791 1.00 0.00 H new ATOM 0 HB3 PRO A 13 7.740 -4.890 -0.534 1.00 0.00 H new ATOM 0 HG2 PRO A 13 6.778 -2.106 -0.111 1.00 0.00 H new ATOM 0 HG3 PRO A 13 8.096 -2.670 -1.119 1.00 0.00 H new ATOM 0 HD2 PRO A 13 5.414 -2.003 -1.962 1.00 0.00 H new ATOM 0 HD3 PRO A 13 6.727 -2.586 -2.967 1.00 0.00 H new ATOM 205 N VAL A 14 4.138 -5.531 0.969 1.00 0.00 N ATOM 206 CA VAL A 14 3.121 -5.447 2.035 1.00 0.00 C ATOM 207 C VAL A 14 2.962 -6.826 2.683 1.00 0.00 C ATOM 208 O VAL A 14 2.751 -6.934 3.881 1.00 0.00 O ATOM 209 CB VAL A 14 1.773 -4.858 1.539 1.00 0.00 C ATOM 210 CG1 VAL A 14 0.508 -5.567 2.035 1.00 0.00 C ATOM 211 CG2 VAL A 14 1.666 -3.385 1.965 1.00 0.00 C ATOM 0 H VAL A 14 4.680 -6.392 1.044 1.00 0.00 H new ATOM 0 HA VAL A 14 3.467 -4.742 2.791 1.00 0.00 H new ATOM 0 HB VAL A 14 1.804 -4.995 0.458 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -0.372 -5.070 1.626 1.00 0.00 H new ATOM 0 HG12 VAL A 14 0.522 -6.607 1.709 1.00 0.00 H new ATOM 0 HG13 VAL A 14 0.473 -5.529 3.124 1.00 0.00 H new ATOM 0 HG21 VAL A 14 0.719 -2.973 1.616 1.00 0.00 H new ATOM 0 HG22 VAL A 14 1.713 -3.316 3.052 1.00 0.00 H new ATOM 0 HG23 VAL A 14 2.490 -2.820 1.530 1.00 0.00 H new ATOM 221 N GLU A 15 3.134 -7.894 1.913 1.00 0.00 N ATOM 222 CA GLU A 15 2.951 -9.261 2.425 1.00 0.00 C ATOM 223 C GLU A 15 4.017 -10.182 1.837 1.00 0.00 C ATOM 224 O GLU A 15 4.576 -11.028 2.518 1.00 0.00 O ATOM 225 CB GLU A 15 1.460 -9.646 2.228 1.00 0.00 C ATOM 226 CG GLU A 15 1.105 -9.958 0.786 1.00 0.00 C ATOM 227 CD GLU A 15 1.055 -11.415 0.305 1.00 0.00 C ATOM 228 OE1 GLU A 15 1.575 -12.327 0.973 1.00 0.00 O ATOM 229 OE2 GLU A 15 0.637 -11.606 -0.863 1.00 0.00 O ATOM 0 H GLU A 15 3.400 -7.847 0.929 1.00 0.00 H new ATOM 0 HA GLU A 15 3.123 -9.358 3.497 1.00 0.00 H new ATOM 0 HB2 GLU A 15 1.231 -10.514 2.847 1.00 0.00 H new ATOM 0 HB3 GLU A 15 0.831 -8.828 2.581 1.00 0.00 H new ATOM 0 HG2 GLU A 15 0.127 -9.519 0.591 1.00 0.00 H new ATOM 0 HG3 GLU A 15 1.822 -9.433 0.155 1.00 0.00 H new ATOM 236 N LYS A 16 4.477 -9.874 0.631 1.00 0.00 N ATOM 237 CA LYS A 16 5.233 -10.776 -0.205 1.00 0.00 C ATOM 238 C LYS A 16 6.416 -10.057 -0.803 1.00 0.00 C ATOM 239 O LYS A 16 7.546 -10.350 -0.441 1.00 0.00 O ATOM 240 CB LYS A 16 4.266 -11.295 -1.262 1.00 0.00 C ATOM 241 CG LYS A 16 4.708 -12.642 -1.832 1.00 0.00 C ATOM 242 CD LYS A 16 4.332 -13.769 -0.860 1.00 0.00 C ATOM 243 CE LYS A 16 4.473 -15.155 -1.481 1.00 0.00 C ATOM 244 NZ LYS A 16 3.481 -15.388 -2.560 1.00 0.00 N ATOM 0 H LYS A 16 4.326 -8.961 0.202 1.00 0.00 H new ATOM 0 HA LYS A 16 5.645 -11.614 0.358 1.00 0.00 H new ATOM 0 HB2 LYS A 16 3.272 -11.395 -0.826 1.00 0.00 H new ATOM 0 HB3 LYS A 16 4.188 -10.568 -2.070 1.00 0.00 H new ATOM 0 HG2 LYS A 16 4.234 -12.811 -2.799 1.00 0.00 H new ATOM 0 HG3 LYS A 16 5.785 -12.640 -2.001 1.00 0.00 H new ATOM 0 HD2 LYS A 16 4.965 -13.706 0.025 1.00 0.00 H new ATOM 0 HD3 LYS A 16 3.304 -13.628 -0.527 1.00 0.00 H new ATOM 0 HE2 LYS A 16 5.479 -15.271 -1.884 1.00 0.00 H new ATOM 0 HE3 LYS A 16 4.350 -15.913 -0.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 3.450 -16.402 -2.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 2.542 -15.076 -2.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 3.756 -14.850 -3.406 1.00 0.00 H new ATOM 258 N LEU A 17 6.198 -9.025 -1.620 1.00 0.00 N ATOM 259 CA LEU A 17 7.314 -8.277 -2.194 1.00 0.00 C ATOM 260 C LEU A 17 8.175 -7.637 -1.090 1.00 0.00 C ATOM 261 O LEU A 17 9.391 -7.530 -1.234 1.00 0.00 O ATOM 262 CB LEU A 17 6.795 -7.295 -3.268 1.00 0.00 C ATOM 263 CG LEU A 17 7.227 -7.737 -4.677 1.00 0.00 C ATOM 264 CD1 LEU A 17 6.440 -6.944 -5.722 1.00 0.00 C ATOM 265 CD2 LEU A 17 8.735 -7.540 -4.884 1.00 0.00 C ATOM 0 H LEU A 17 5.274 -8.693 -1.895 1.00 0.00 H new ATOM 0 HA LEU A 17 7.992 -8.953 -2.714 1.00 0.00 H new ATOM 0 HB2 LEU A 17 5.708 -7.238 -3.219 1.00 0.00 H new ATOM 0 HB3 LEU A 17 7.176 -6.294 -3.065 1.00 0.00 H new ATOM 0 HG LEU A 17 7.014 -8.800 -4.788 1.00 0.00 H new ATOM 0 HD11 LEU A 17 6.745 -7.256 -6.721 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.374 -7.130 -5.593 1.00 0.00 H new ATOM 0 HD13 LEU A 17 6.640 -5.880 -5.597 1.00 0.00 H new ATOM 0 HD21 LEU A 17 9.009 -7.861 -5.889 1.00 0.00 H new ATOM 0 HD22 LEU A 17 8.985 -6.486 -4.759 1.00 0.00 H new ATOM 0 HD23 LEU A 17 9.283 -8.132 -4.151 1.00 0.00 H new ATOM 277 N LYS A 18 7.582 -7.333 0.079 1.00 0.00 N ATOM 278 CA LYS A 18 8.329 -6.833 1.249 1.00 0.00 C ATOM 279 C LYS A 18 9.354 -7.874 1.716 1.00 0.00 C ATOM 280 O LYS A 18 10.399 -7.555 2.275 1.00 0.00 O ATOM 281 CB LYS A 18 7.390 -6.390 2.406 1.00 0.00 C ATOM 282 CG LYS A 18 7.307 -7.278 3.665 1.00 0.00 C ATOM 283 CD LYS A 18 6.428 -8.514 3.446 1.00 0.00 C ATOM 284 CE LYS A 18 6.746 -9.705 4.359 1.00 0.00 C ATOM 285 NZ LYS A 18 6.966 -9.376 5.785 1.00 0.00 N ATOM 0 H LYS A 18 6.579 -7.426 0.239 1.00 0.00 H new ATOM 0 HA LYS A 18 8.869 -5.939 0.937 1.00 0.00 H new ATOM 0 HB2 LYS A 18 7.700 -5.394 2.722 1.00 0.00 H new ATOM 0 HB3 LYS A 18 6.383 -6.296 1.999 1.00 0.00 H new ATOM 0 HG2 LYS A 18 8.310 -7.594 3.951 1.00 0.00 H new ATOM 0 HG3 LYS A 18 6.908 -6.693 4.494 1.00 0.00 H new ATOM 0 HD2 LYS A 18 5.386 -8.231 3.593 1.00 0.00 H new ATOM 0 HD3 LYS A 18 6.528 -8.834 2.409 1.00 0.00 H new ATOM 0 HE2 LYS A 18 5.926 -10.420 4.292 1.00 0.00 H new ATOM 0 HE3 LYS A 18 7.637 -10.204 3.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 7.321 -10.216 6.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 7.663 -8.608 5.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 6.068 -9.072 6.214 1.00 0.00 H new ATOM 299 N ILE A 19 9.021 -9.150 1.575 1.00 0.00 N ATOM 300 CA ILE A 19 9.806 -10.244 2.104 1.00 0.00 C ATOM 301 C ILE A 19 11.059 -10.391 1.245 1.00 0.00 C ATOM 302 O ILE A 19 12.126 -10.714 1.755 1.00 0.00 O ATOM 303 CB ILE A 19 8.894 -11.507 2.124 1.00 0.00 C ATOM 304 CG1 ILE A 19 8.830 -12.212 3.489 1.00 0.00 C ATOM 305 CG2 ILE A 19 9.150 -12.572 1.044 1.00 0.00 C ATOM 306 CD1 ILE A 19 7.443 -12.858 3.664 1.00 0.00 C ATOM 0 H ILE A 19 8.182 -9.453 1.080 1.00 0.00 H new ATOM 0 HA ILE A 19 10.148 -10.076 3.125 1.00 0.00 H new ATOM 0 HB ILE A 19 7.934 -11.047 1.890 1.00 0.00 H new ATOM 0 HG12 ILE A 19 9.609 -12.972 3.556 1.00 0.00 H new ATOM 0 HG13 ILE A 19 9.014 -11.496 4.290 1.00 0.00 H new ATOM 0 HG21 ILE A 19 8.448 -13.396 1.172 1.00 0.00 H new ATOM 0 HG22 ILE A 19 9.014 -12.129 0.057 1.00 0.00 H new ATOM 0 HG23 ILE A 19 10.169 -12.946 1.137 1.00 0.00 H new ATOM 0 HD11 ILE A 19 7.394 -13.359 4.631 1.00 0.00 H new ATOM 0 HD12 ILE A 19 6.674 -12.087 3.615 1.00 0.00 H new ATOM 0 HD13 ILE A 19 7.278 -13.586 2.870 1.00 0.00 H new ATOM 318 N ARG A 20 10.939 -10.086 -0.050 1.00 0.00 N ATOM 319 CA ARG A 20 12.029 -10.106 -0.994 1.00 0.00 C ATOM 320 C ARG A 20 12.964 -8.950 -0.695 1.00 0.00 C ATOM 321 O ARG A 20 14.178 -9.140 -0.718 1.00 0.00 O ATOM 322 CB ARG A 20 11.448 -10.060 -2.413 1.00 0.00 C ATOM 323 CG ARG A 20 10.783 -11.405 -2.765 1.00 0.00 C ATOM 324 CD ARG A 20 9.308 -11.365 -3.177 1.00 0.00 C ATOM 325 NE ARG A 20 9.010 -12.508 -4.047 1.00 0.00 N ATOM 326 CZ ARG A 20 8.849 -12.518 -5.373 1.00 0.00 C ATOM 327 NH1 ARG A 20 9.034 -11.424 -6.106 1.00 0.00 N ATOM 328 NH2 ARG A 20 8.524 -13.654 -5.971 1.00 0.00 N ATOM 0 H ARG A 20 10.050 -9.812 -0.470 1.00 0.00 H new ATOM 0 HA ARG A 20 12.617 -11.020 -0.911 1.00 0.00 H new ATOM 0 HB2 ARG A 20 10.717 -9.255 -2.488 1.00 0.00 H new ATOM 0 HB3 ARG A 20 12.239 -9.840 -3.130 1.00 0.00 H new ATOM 0 HG2 ARG A 20 11.349 -11.861 -3.577 1.00 0.00 H new ATOM 0 HG3 ARG A 20 10.876 -12.065 -1.902 1.00 0.00 H new ATOM 0 HD2 ARG A 20 8.672 -11.393 -2.292 1.00 0.00 H new ATOM 0 HD3 ARG A 20 9.090 -10.432 -3.697 1.00 0.00 H new ATOM 0 HE ARG A 20 8.913 -13.410 -3.580 1.00 0.00 H new ATOM 0 HH11 ARG A 20 9.306 -10.549 -5.657 1.00 0.00 H new ATOM 0 HH12 ARG A 20 8.904 -11.460 -7.117 1.00 0.00 H new ATOM 0 HH21 ARG A 20 8.401 -14.503 -5.420 1.00 0.00 H new ATOM 0 HH22 ARG A 20 8.397 -13.680 -6.983 1.00 0.00 H new ATOM 342 N SER A 21 12.447 -7.756 -0.403 1.00 0.00 N ATOM 343 CA SER A 21 13.252 -6.577 -0.110 1.00 0.00 C ATOM 344 C SER A 21 12.379 -5.546 0.620 1.00 0.00 C ATOM 345 O SER A 21 11.627 -4.819 -0.031 1.00 0.00 O ATOM 346 CB SER A 21 13.795 -6.034 -1.441 1.00 0.00 C ATOM 347 OG SER A 21 14.786 -6.888 -1.994 1.00 0.00 O ATOM 0 H SER A 21 11.443 -7.582 -0.364 1.00 0.00 H new ATOM 0 HA SER A 21 14.095 -6.814 0.540 1.00 0.00 H new ATOM 0 HB2 SER A 21 12.975 -5.923 -2.150 1.00 0.00 H new ATOM 0 HB3 SER A 21 14.217 -5.042 -1.284 1.00 0.00 H new ATOM 0 HG SER A 21 14.924 -7.656 -1.401 1.00 0.00 H new ATOM 353 N ALA A 22 12.439 -5.543 1.960 1.00 0.00 N ATOM 354 CA ALA A 22 11.910 -4.532 2.887 1.00 0.00 C ATOM 355 C ALA A 22 12.379 -4.828 4.309 1.00 0.00 C ATOM 356 O ALA A 22 13.068 -5.832 4.529 1.00 0.00 O ATOM 357 CB ALA A 22 10.378 -4.489 2.878 1.00 0.00 C ATOM 0 H ALA A 22 12.893 -6.306 2.462 1.00 0.00 H new ATOM 0 HA ALA A 22 12.287 -3.565 2.553 1.00 0.00 H new ATOM 0 HB1 ALA A 22 10.031 -3.728 3.577 1.00 0.00 H new ATOM 0 HB2 ALA A 22 10.027 -4.247 1.875 1.00 0.00 H new ATOM 0 HB3 ALA A 22 9.985 -5.461 3.175 1.00 0.00 H new ATOM 363 N LYS A 23 12.003 -3.975 5.264 1.00 0.00 N ATOM 364 CA LYS A 23 12.239 -4.087 6.699 1.00 0.00 C ATOM 365 C LYS A 23 11.165 -3.285 7.422 1.00 0.00 C ATOM 366 O LYS A 23 10.202 -2.822 6.793 1.00 0.00 O ATOM 367 CB LYS A 23 13.679 -3.624 7.050 1.00 0.00 C ATOM 368 CG LYS A 23 14.451 -4.575 7.977 1.00 0.00 C ATOM 369 CD LYS A 23 14.658 -5.965 7.354 1.00 0.00 C ATOM 370 CE LYS A 23 15.750 -5.953 6.287 1.00 0.00 C ATOM 371 NZ LYS A 23 17.083 -6.289 6.821 1.00 0.00 N ATOM 0 H LYS A 23 11.487 -3.126 5.034 1.00 0.00 H new ATOM 0 HA LYS A 23 12.170 -5.125 7.025 1.00 0.00 H new ATOM 0 HB2 LYS A 23 14.243 -3.503 6.125 1.00 0.00 H new ATOM 0 HB3 LYS A 23 13.626 -2.643 7.521 1.00 0.00 H new ATOM 0 HG2 LYS A 23 15.421 -4.138 8.214 1.00 0.00 H new ATOM 0 HG3 LYS A 23 13.910 -4.679 8.918 1.00 0.00 H new ATOM 0 HD2 LYS A 23 14.922 -6.678 8.135 1.00 0.00 H new ATOM 0 HD3 LYS A 23 13.722 -6.308 6.912 1.00 0.00 H new ATOM 0 HE2 LYS A 23 15.490 -6.663 5.502 1.00 0.00 H new ATOM 0 HE3 LYS A 23 15.788 -4.966 5.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 17.782 -6.265 6.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 17.349 -5.598 7.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 17.060 -7.242 7.238 1.00 0.00 H new ATOM 385 N ALA A 24 11.291 -3.175 8.742 1.00 0.00 N ATOM 386 CA ALA A 24 10.316 -2.448 9.542 1.00 0.00 C ATOM 387 C ALA A 24 10.393 -0.942 9.248 1.00 0.00 C ATOM 388 O ALA A 24 9.405 -0.222 9.416 1.00 0.00 O ATOM 389 CB ALA A 24 10.560 -2.661 11.037 1.00 0.00 C ATOM 0 H ALA A 24 12.059 -3.580 9.277 1.00 0.00 H new ATOM 0 HA ALA A 24 9.330 -2.831 9.277 1.00 0.00 H new ATOM 0 HB1 ALA A 24 9.817 -2.106 11.610 1.00 0.00 H new ATOM 0 HB2 ALA A 24 10.480 -3.723 11.271 1.00 0.00 H new ATOM 0 HB3 ALA A 24 11.557 -2.306 11.297 1.00 0.00 H new ATOM 395 N GLU A 25 11.553 -0.421 8.827 1.00 0.00 N ATOM 396 CA GLU A 25 11.718 1.021 8.643 1.00 0.00 C ATOM 397 C GLU A 25 11.411 1.470 7.231 1.00 0.00 C ATOM 398 O GLU A 25 11.933 2.477 6.740 1.00 0.00 O ATOM 399 CB GLU A 25 13.122 1.461 9.062 1.00 0.00 C ATOM 400 CG GLU A 25 13.066 2.857 9.683 1.00 0.00 C ATOM 401 CD GLU A 25 14.470 3.415 9.901 1.00 0.00 C ATOM 402 OE1 GLU A 25 15.114 2.991 10.886 1.00 0.00 O ATOM 403 OE2 GLU A 25 14.896 4.249 9.066 1.00 0.00 O ATOM 0 H GLU A 25 12.382 -0.973 8.610 1.00 0.00 H new ATOM 0 HA GLU A 25 10.988 1.508 9.290 1.00 0.00 H new ATOM 0 HB2 GLU A 25 13.536 0.751 9.778 1.00 0.00 H new ATOM 0 HB3 GLU A 25 13.785 1.465 8.197 1.00 0.00 H new ATOM 0 HG2 GLU A 25 12.502 3.526 9.033 1.00 0.00 H new ATOM 0 HG3 GLU A 25 12.536 2.815 10.634 1.00 0.00 H new ATOM 410 N ASP A 26 10.403 0.844 6.642 1.00 0.00 N ATOM 411 CA ASP A 26 10.062 1.133 5.268 1.00 0.00 C ATOM 412 C ASP A 26 8.747 1.890 5.198 1.00 0.00 C ATOM 413 O ASP A 26 8.049 2.022 6.211 1.00 0.00 O ATOM 414 CB ASP A 26 10.091 -0.153 4.457 1.00 0.00 C ATOM 415 CG ASP A 26 10.758 0.122 3.108 1.00 0.00 C ATOM 416 OD1 ASP A 26 10.281 1.022 2.377 1.00 0.00 O ATOM 417 OD2 ASP A 26 11.771 -0.541 2.799 1.00 0.00 O ATOM 0 H ASP A 26 9.816 0.142 7.092 1.00 0.00 H new ATOM 0 HA ASP A 26 10.801 1.796 4.818 1.00 0.00 H new ATOM 0 HB2 ASP A 26 10.638 -0.926 4.997 1.00 0.00 H new ATOM 0 HB3 ASP A 26 9.078 -0.526 4.307 1.00 0.00 H new ATOM 422 N LYS A 27 8.413 2.421 4.029 1.00 0.00 N ATOM 423 CA LYS A 27 7.217 3.217 3.801 1.00 0.00 C ATOM 424 C LYS A 27 6.496 2.564 2.640 1.00 0.00 C ATOM 425 O LYS A 27 7.145 2.256 1.643 1.00 0.00 O ATOM 426 CB LYS A 27 7.584 4.662 3.439 1.00 0.00 C ATOM 427 CG LYS A 27 8.430 5.441 4.461 1.00 0.00 C ATOM 428 CD LYS A 27 8.639 6.857 3.904 1.00 0.00 C ATOM 429 CE LYS A 27 9.415 7.785 4.849 1.00 0.00 C ATOM 430 NZ LYS A 27 9.685 9.081 4.193 1.00 0.00 N ATOM 0 H LYS A 27 8.983 2.306 3.191 1.00 0.00 H new ATOM 0 HA LYS A 27 6.597 3.256 4.697 1.00 0.00 H new ATOM 0 HB2 LYS A 27 8.123 4.648 2.492 1.00 0.00 H new ATOM 0 HB3 LYS A 27 6.660 5.215 3.271 1.00 0.00 H new ATOM 0 HG2 LYS A 27 7.925 5.479 5.426 1.00 0.00 H new ATOM 0 HG3 LYS A 27 9.388 4.947 4.622 1.00 0.00 H new ATOM 0 HD2 LYS A 27 9.173 6.790 2.956 1.00 0.00 H new ATOM 0 HD3 LYS A 27 7.667 7.301 3.691 1.00 0.00 H new ATOM 0 HE2 LYS A 27 8.842 7.945 5.763 1.00 0.00 H new ATOM 0 HE3 LYS A 27 10.354 7.315 5.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 9.943 9.787 4.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 10.469 8.972 3.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 8.834 9.398 3.687 1.00 0.00 H new ATOM 444 N ILE A 28 5.198 2.308 2.765 1.00 0.00 N ATOM 445 CA ILE A 28 4.412 1.732 1.692 1.00 0.00 C ATOM 446 C ILE A 28 2.964 2.235 1.824 1.00 0.00 C ATOM 447 O ILE A 28 2.525 2.588 2.920 1.00 0.00 O ATOM 448 CB ILE A 28 4.499 0.184 1.743 1.00 0.00 C ATOM 449 CG1 ILE A 28 5.815 -0.507 2.213 1.00 0.00 C ATOM 450 CG2 ILE A 28 4.199 -0.318 0.327 1.00 0.00 C ATOM 451 CD1 ILE A 28 5.597 -1.984 2.530 1.00 0.00 C ATOM 0 H ILE A 28 4.666 2.496 3.615 1.00 0.00 H new ATOM 0 HA ILE A 28 4.799 2.041 0.721 1.00 0.00 H new ATOM 0 HB ILE A 28 3.791 -0.087 2.526 1.00 0.00 H new ATOM 0 HG12 ILE A 28 6.574 -0.410 1.437 1.00 0.00 H new ATOM 0 HG13 ILE A 28 6.197 0.002 3.098 1.00 0.00 H new ATOM 0 HG21 ILE A 28 4.248 -1.407 0.309 1.00 0.00 H new ATOM 0 HG22 ILE A 28 3.201 0.005 0.030 1.00 0.00 H new ATOM 0 HG23 ILE A 28 4.934 0.090 -0.367 1.00 0.00 H new ATOM 0 HD11 ILE A 28 6.538 -2.429 2.854 1.00 0.00 H new ATOM 0 HD12 ILE A 28 4.857 -2.080 3.325 1.00 0.00 H new ATOM 0 HD13 ILE A 28 5.240 -2.499 1.638 1.00 0.00 H new ATOM 463 N VAL A 29 2.225 2.226 0.713 1.00 0.00 N ATOM 464 CA VAL A 29 0.814 2.591 0.565 1.00 0.00 C ATOM 465 C VAL A 29 0.226 1.770 -0.590 1.00 0.00 C ATOM 466 O VAL A 29 0.951 1.469 -1.538 1.00 0.00 O ATOM 467 CB VAL A 29 0.677 4.102 0.274 1.00 0.00 C ATOM 468 CG1 VAL A 29 -0.763 4.548 -0.041 1.00 0.00 C ATOM 469 CG2 VAL A 29 1.147 4.925 1.472 1.00 0.00 C ATOM 0 H VAL A 29 2.630 1.940 -0.178 1.00 0.00 H new ATOM 0 HA VAL A 29 0.274 2.378 1.488 1.00 0.00 H new ATOM 0 HB VAL A 29 1.295 4.274 -0.607 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -0.778 5.621 -0.234 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -1.124 4.016 -0.921 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -1.408 4.323 0.809 1.00 0.00 H new ATOM 0 HG21 VAL A 29 1.043 5.987 1.248 1.00 0.00 H new ATOM 0 HG22 VAL A 29 0.541 4.677 2.344 1.00 0.00 H new ATOM 0 HG23 VAL A 29 2.193 4.699 1.681 1.00 0.00 H new ATOM 479 N LEU A 30 -1.078 1.467 -0.554 1.00 0.00 N ATOM 480 CA LEU A 30 -1.826 0.800 -1.630 1.00 0.00 C ATOM 481 C LEU A 30 -2.755 1.781 -2.318 1.00 0.00 C ATOM 482 O LEU A 30 -3.356 2.592 -1.612 1.00 0.00 O ATOM 483 CB LEU A 30 -2.703 -0.377 -1.138 1.00 0.00 C ATOM 484 CG LEU A 30 -2.514 -1.001 0.253 1.00 0.00 C ATOM 485 CD1 LEU A 30 -3.545 -2.109 0.476 1.00 0.00 C ATOM 486 CD2 LEU A 30 -1.140 -1.619 0.478 1.00 0.00 C ATOM 0 H LEU A 30 -1.662 1.687 0.253 1.00 0.00 H new ATOM 0 HA LEU A 30 -1.064 0.413 -2.307 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.739 -0.044 -1.196 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.586 -1.182 -1.863 1.00 0.00 H new ATOM 0 HG LEU A 30 -2.634 -0.174 0.953 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -3.403 -2.545 1.465 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -4.549 -1.691 0.405 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -3.419 -2.881 -0.283 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -1.089 -2.037 1.483 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.973 -2.410 -0.253 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.373 -0.853 0.365 1.00 0.00 H new ATOM 498 N ILE A 31 -2.942 1.664 -3.644 1.00 0.00 N ATOM 499 CA ILE A 31 -3.907 2.496 -4.356 1.00 0.00 C ATOM 500 C ILE A 31 -4.684 1.686 -5.409 1.00 0.00 C ATOM 501 O ILE A 31 -4.316 0.568 -5.725 1.00 0.00 O ATOM 502 CB ILE A 31 -3.205 3.736 -4.965 1.00 0.00 C ATOM 503 CG1 ILE A 31 -2.721 3.475 -6.409 1.00 0.00 C ATOM 504 CG2 ILE A 31 -2.083 4.342 -4.095 1.00 0.00 C ATOM 505 CD1 ILE A 31 -2.018 4.651 -7.068 1.00 0.00 C ATOM 0 H ILE A 31 -2.437 1.003 -4.235 1.00 0.00 H new ATOM 0 HA ILE A 31 -4.647 2.855 -3.641 1.00 0.00 H new ATOM 0 HB ILE A 31 -3.982 4.499 -4.994 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -2.042 2.622 -6.401 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -3.579 3.194 -7.020 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -1.653 5.204 -4.605 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -2.496 4.656 -3.136 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -1.307 3.594 -3.929 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -1.715 4.374 -8.078 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -2.698 5.502 -7.114 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -1.137 4.921 -6.486 1.00 0.00 H new ATOM 517 N GLN A 32 -5.671 2.291 -6.059 1.00 0.00 N ATOM 518 CA GLN A 32 -6.541 1.875 -7.160 1.00 0.00 C ATOM 519 C GLN A 32 -7.086 0.437 -7.125 1.00 0.00 C ATOM 520 O GLN A 32 -8.286 0.196 -6.991 1.00 0.00 O ATOM 521 CB GLN A 32 -5.856 2.129 -8.499 1.00 0.00 C ATOM 522 CG GLN A 32 -5.571 3.601 -8.796 1.00 0.00 C ATOM 523 CD GLN A 32 -6.775 4.358 -9.343 1.00 0.00 C ATOM 524 OE1 GLN A 32 -7.333 3.995 -10.375 1.00 0.00 O ATOM 525 NE2 GLN A 32 -7.150 5.459 -8.707 1.00 0.00 N ATOM 0 H GLN A 32 -5.920 3.240 -5.780 1.00 0.00 H new ATOM 0 HA GLN A 32 -7.426 2.497 -7.028 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -4.916 1.578 -8.522 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -6.482 1.725 -9.295 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -5.231 4.088 -7.882 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -4.754 3.666 -9.515 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -6.672 5.741 -7.851 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -7.916 6.024 -9.073 1.00 0.00 H new ATOM 534 N ASN A 33 -6.203 -0.521 -7.415 1.00 0.00 N ATOM 535 CA ASN A 33 -6.444 -1.970 -7.367 1.00 0.00 C ATOM 536 C ASN A 33 -5.486 -2.607 -6.383 1.00 0.00 C ATOM 537 O ASN A 33 -5.850 -3.608 -5.785 1.00 0.00 O ATOM 538 CB ASN A 33 -6.258 -2.684 -8.720 1.00 0.00 C ATOM 539 CG ASN A 33 -7.381 -2.432 -9.714 1.00 0.00 C ATOM 540 OD1 ASN A 33 -7.998 -3.363 -10.214 1.00 0.00 O ATOM 541 ND2 ASN A 33 -7.697 -1.190 -10.039 1.00 0.00 N ATOM 0 H ASN A 33 -5.251 -0.299 -7.705 1.00 0.00 H new ATOM 0 HA ASN A 33 -7.487 -2.086 -7.071 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -5.316 -2.361 -9.163 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -6.176 -3.757 -8.545 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -8.451 -1.013 -10.703 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -7.187 -0.409 -9.626 1.00 0.00 H new ATOM 548 N GLY A 34 -4.300 -2.017 -6.186 1.00 0.00 N ATOM 549 CA GLY A 34 -3.374 -2.250 -5.079 1.00 0.00 C ATOM 550 C GLY A 34 -4.064 -2.483 -3.745 1.00 0.00 C ATOM 551 O GLY A 34 -3.588 -3.255 -2.922 1.00 0.00 O ATOM 0 H GLY A 34 -3.942 -1.320 -6.839 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -2.752 -3.114 -5.313 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -2.707 -1.393 -4.988 1.00 0.00 H new ATOM 555 N VAL A 35 -5.204 -1.844 -3.509 1.00 0.00 N ATOM 556 CA VAL A 35 -6.006 -2.093 -2.326 1.00 0.00 C ATOM 557 C VAL A 35 -6.358 -3.582 -2.101 1.00 0.00 C ATOM 558 O VAL A 35 -6.552 -3.972 -0.950 1.00 0.00 O ATOM 559 CB VAL A 35 -7.215 -1.156 -2.336 1.00 0.00 C ATOM 560 CG1 VAL A 35 -6.796 0.304 -2.127 1.00 0.00 C ATOM 561 CG2 VAL A 35 -8.065 -1.263 -3.619 1.00 0.00 C ATOM 0 H VAL A 35 -5.595 -1.140 -4.135 1.00 0.00 H new ATOM 0 HA VAL A 35 -5.403 -1.861 -1.448 1.00 0.00 H new ATOM 0 HB VAL A 35 -7.836 -1.483 -1.502 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -7.680 0.942 -2.140 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -6.291 0.404 -1.166 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -6.119 0.606 -2.926 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -8.905 -0.571 -3.558 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -7.451 -1.013 -4.484 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -8.440 -2.281 -3.723 1.00 0.00 H new ATOM 571 N PHE A 36 -6.327 -4.443 -3.131 1.00 0.00 N ATOM 572 CA PHE A 36 -6.340 -5.903 -3.021 1.00 0.00 C ATOM 573 C PHE A 36 -5.273 -6.488 -2.068 1.00 0.00 C ATOM 574 O PHE A 36 -5.400 -7.641 -1.659 1.00 0.00 O ATOM 575 CB PHE A 36 -6.133 -6.510 -4.423 1.00 0.00 C ATOM 576 CG PHE A 36 -7.286 -6.524 -5.418 1.00 0.00 C ATOM 577 CD1 PHE A 36 -8.429 -5.704 -5.291 1.00 0.00 C ATOM 578 CD2 PHE A 36 -7.190 -7.402 -6.516 1.00 0.00 C ATOM 579 CE1 PHE A 36 -9.468 -5.788 -6.236 1.00 0.00 C ATOM 580 CE2 PHE A 36 -8.217 -7.467 -7.471 1.00 0.00 C ATOM 581 CZ PHE A 36 -9.350 -6.653 -7.337 1.00 0.00 C ATOM 0 H PHE A 36 -6.291 -4.124 -4.099 1.00 0.00 H new ATOM 0 HA PHE A 36 -7.308 -6.164 -2.594 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -5.306 -5.975 -4.890 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -5.809 -7.542 -4.286 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -8.506 -5.011 -4.466 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -6.318 -8.031 -6.624 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -10.357 -5.187 -6.115 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -8.134 -8.144 -8.308 1.00 0.00 H new ATOM 0 HZ PHE A 36 -10.133 -6.691 -8.080 1.00 0.00 H new ATOM 591 N TRP A 37 -4.223 -5.744 -1.706 1.00 0.00 N ATOM 592 CA TRP A 37 -3.204 -6.228 -0.778 1.00 0.00 C ATOM 593 C TRP A 37 -3.703 -6.181 0.682 1.00 0.00 C ATOM 594 O TRP A 37 -3.128 -6.861 1.534 1.00 0.00 O ATOM 595 CB TRP A 37 -1.884 -5.445 -0.860 1.00 0.00 C ATOM 596 CG TRP A 37 -1.009 -5.555 -2.075 1.00 0.00 C ATOM 597 CD1 TRP A 37 -0.858 -4.623 -3.040 1.00 0.00 C ATOM 598 CD2 TRP A 37 -0.012 -6.574 -2.380 1.00 0.00 C ATOM 599 NE1 TRP A 37 0.088 -5.034 -3.949 1.00 0.00 N ATOM 600 CE2 TRP A 37 0.728 -6.175 -3.526 1.00 0.00 C ATOM 601 CE3 TRP A 37 0.372 -7.782 -1.780 1.00 0.00 C ATOM 602 CZ2 TRP A 37 1.829 -6.906 -3.993 1.00 0.00 C ATOM 603 CZ3 TRP A 37 1.470 -8.524 -2.251 1.00 0.00 C ATOM 604 CH2 TRP A 37 2.240 -8.060 -3.320 1.00 0.00 C ATOM 0 H TRP A 37 -4.059 -4.797 -2.047 1.00 0.00 H new ATOM 0 HA TRP A 37 -3.013 -7.257 -1.082 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -2.127 -4.390 -0.732 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -1.281 -5.739 -0.001 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -1.401 -3.691 -3.091 1.00 0.00 H new ATOM 0 HE1 TRP A 37 0.289 -4.553 -4.826 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -0.190 -8.152 -0.935 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 2.360 -6.577 -4.874 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 1.721 -9.463 -1.781 1.00 0.00 H new ATOM 0 HH2 TRP A 37 3.136 -8.583 -3.621 1.00 0.00 H new ATOM 615 N ALA A 38 -4.714 -5.370 1.034 1.00 0.00 N ATOM 616 CA ALA A 38 -5.262 -5.223 2.394 1.00 0.00 C ATOM 617 C ALA A 38 -6.215 -6.345 2.761 1.00 0.00 C ATOM 618 O ALA A 38 -7.223 -6.096 3.422 1.00 0.00 O ATOM 619 CB ALA A 38 -5.881 -3.833 2.599 1.00 0.00 C ATOM 0 H ALA A 38 -5.190 -4.776 0.355 1.00 0.00 H new ATOM 0 HA ALA A 38 -4.426 -5.307 3.088 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -6.276 -3.757 3.612 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -5.118 -3.069 2.449 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -6.689 -3.685 1.882 1.00 0.00 H new ATOM 625 N LEU A 39 -5.859 -7.563 2.349 1.00 0.00 N ATOM 626 CA LEU A 39 -6.690 -8.751 2.281 1.00 0.00 C ATOM 627 C LEU A 39 -5.860 -9.827 1.565 1.00 0.00 C ATOM 628 O LEU A 39 -6.228 -10.351 0.518 1.00 0.00 O ATOM 629 CB LEU A 39 -8.060 -8.420 1.648 1.00 0.00 C ATOM 630 CG LEU A 39 -8.061 -7.532 0.376 1.00 0.00 C ATOM 631 CD1 LEU A 39 -8.494 -8.319 -0.857 1.00 0.00 C ATOM 632 CD2 LEU A 39 -8.973 -6.305 0.532 1.00 0.00 C ATOM 0 H LEU A 39 -4.908 -7.751 2.031 1.00 0.00 H new ATOM 0 HA LEU A 39 -6.958 -9.144 3.262 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -8.554 -9.360 1.403 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -8.670 -7.926 2.404 1.00 0.00 H new ATOM 0 HG LEU A 39 -7.034 -7.192 0.243 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -8.483 -7.665 -1.729 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -7.807 -9.150 -1.018 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -9.502 -8.705 -0.706 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -8.944 -5.711 -0.382 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -9.996 -6.633 0.719 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -8.628 -5.699 1.370 1.00 0.00 H new ATOM 644 N GLU A 40 -4.689 -10.128 2.135 1.00 0.00 N ATOM 645 CA GLU A 40 -3.736 -11.155 1.698 1.00 0.00 C ATOM 646 C GLU A 40 -3.241 -11.891 2.946 1.00 0.00 C ATOM 647 O GLU A 40 -3.413 -11.394 4.056 1.00 0.00 O ATOM 648 CB GLU A 40 -2.523 -10.508 1.016 1.00 0.00 C ATOM 649 CG GLU A 40 -2.862 -9.724 -0.249 1.00 0.00 C ATOM 650 CD GLU A 40 -2.930 -10.567 -1.533 1.00 0.00 C ATOM 651 OE1 GLU A 40 -3.183 -11.791 -1.480 1.00 0.00 O ATOM 652 OE2 GLU A 40 -2.637 -10.011 -2.619 1.00 0.00 O ATOM 0 H GLU A 40 -4.361 -9.632 2.964 1.00 0.00 H new ATOM 0 HA GLU A 40 -4.225 -11.829 0.995 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -2.035 -9.839 1.725 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -1.803 -11.287 0.765 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -3.822 -9.228 -0.106 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -2.116 -8.941 -0.385 1.00 0.00 H new ATOM 659 N GLU A 41 -2.532 -13.005 2.815 1.00 0.00 N ATOM 660 CA GLU A 41 -2.285 -13.928 3.927 1.00 0.00 C ATOM 661 C GLU A 41 -0.955 -13.743 4.652 1.00 0.00 C ATOM 662 O GLU A 41 -0.294 -14.710 5.033 1.00 0.00 O ATOM 663 CB GLU A 41 -2.594 -15.373 3.507 1.00 0.00 C ATOM 664 CG GLU A 41 -1.786 -15.850 2.284 1.00 0.00 C ATOM 665 CD GLU A 41 -2.012 -17.329 1.948 1.00 0.00 C ATOM 666 OE1 GLU A 41 -2.366 -18.117 2.858 1.00 0.00 O ATOM 667 OE2 GLU A 41 -1.768 -17.728 0.789 1.00 0.00 O ATOM 0 H GLU A 41 -2.109 -13.299 1.935 1.00 0.00 H new ATOM 0 HA GLU A 41 -2.992 -13.660 4.712 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.391 -16.037 4.347 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -3.658 -15.457 3.284 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -2.055 -15.243 1.420 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -0.725 -15.685 2.471 1.00 0.00 H new ATOM 674 N LEU A 42 -0.550 -12.493 4.850 1.00 0.00 N ATOM 675 CA LEU A 42 0.772 -12.153 5.366 1.00 0.00 C ATOM 676 C LEU A 42 0.803 -10.728 5.888 1.00 0.00 C ATOM 677 O LEU A 42 -0.222 -10.063 6.020 1.00 0.00 O ATOM 678 CB LEU A 42 1.799 -12.361 4.242 1.00 0.00 C ATOM 679 CG LEU A 42 2.687 -13.610 4.457 1.00 0.00 C ATOM 680 CD1 LEU A 42 2.545 -14.560 3.264 1.00 0.00 C ATOM 681 CD2 LEU A 42 4.177 -13.306 4.632 1.00 0.00 C ATOM 0 H LEU A 42 -1.135 -11.680 4.655 1.00 0.00 H new ATOM 0 HA LEU A 42 1.019 -12.801 6.207 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.275 -12.454 3.291 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.434 -11.478 4.170 1.00 0.00 H new ATOM 0 HG LEU A 42 2.332 -14.056 5.386 1.00 0.00 H new ATOM 0 HD11 LEU A 42 3.172 -15.437 3.421 1.00 0.00 H new ATOM 0 HD12 LEU A 42 1.505 -14.870 3.168 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.857 -14.049 2.353 1.00 0.00 H new ATOM 0 HD21 LEU A 42 4.724 -14.238 4.777 1.00 0.00 H new ATOM 0 HD22 LEU A 42 4.552 -12.800 3.742 1.00 0.00 H new ATOM 0 HD23 LEU A 42 4.318 -12.664 5.501 1.00 0.00 H new ATOM 693 N GLU A 43 1.997 -10.266 6.216 1.00 0.00 N ATOM 694 CA GLU A 43 2.246 -9.092 7.007 1.00 0.00 C ATOM 695 C GLU A 43 3.515 -8.414 6.529 1.00 0.00 C ATOM 696 O GLU A 43 4.340 -8.993 5.834 1.00 0.00 O ATOM 697 CB GLU A 43 2.374 -9.524 8.473 1.00 0.00 C ATOM 698 CG GLU A 43 3.496 -10.543 8.722 1.00 0.00 C ATOM 699 CD GLU A 43 3.282 -11.286 10.037 1.00 0.00 C ATOM 700 OE1 GLU A 43 2.326 -12.098 10.111 1.00 0.00 O ATOM 701 OE2 GLU A 43 4.099 -11.104 10.968 1.00 0.00 O ATOM 0 H GLU A 43 2.856 -10.729 5.919 1.00 0.00 H new ATOM 0 HA GLU A 43 1.428 -8.379 6.908 1.00 0.00 H new ATOM 0 HB2 GLU A 43 2.554 -8.642 9.088 1.00 0.00 H new ATOM 0 HB3 GLU A 43 1.427 -9.953 8.800 1.00 0.00 H new ATOM 0 HG2 GLU A 43 3.532 -11.257 7.899 1.00 0.00 H new ATOM 0 HG3 GLU A 43 4.458 -10.031 8.742 1.00 0.00 H new ATOM 708 N THR A 44 3.666 -7.193 6.986 1.00 0.00 N ATOM 709 CA THR A 44 4.759 -6.233 6.865 1.00 0.00 C ATOM 710 C THR A 44 4.960 -5.532 8.212 1.00 0.00 C ATOM 711 O THR A 44 3.984 -5.057 8.803 1.00 0.00 O ATOM 712 CB THR A 44 4.447 -5.229 5.750 1.00 0.00 C ATOM 713 OG1 THR A 44 5.442 -4.227 5.634 1.00 0.00 O ATOM 714 CG2 THR A 44 3.073 -4.580 5.917 1.00 0.00 C ATOM 0 H THR A 44 2.912 -6.782 7.537 1.00 0.00 H new ATOM 0 HA THR A 44 5.684 -6.746 6.601 1.00 0.00 H new ATOM 0 HB THR A 44 4.438 -5.811 4.828 1.00 0.00 H new ATOM 0 HG1 THR A 44 5.203 -3.611 4.911 1.00 0.00 H new ATOM 0 HG21 THR A 44 2.901 -3.877 5.102 1.00 0.00 H new ATOM 0 HG22 THR A 44 2.302 -5.351 5.901 1.00 0.00 H new ATOM 0 HG23 THR A 44 3.035 -4.049 6.868 1.00 0.00 H new ATOM 722 N PRO A 45 6.216 -5.392 8.668 1.00 0.00 N ATOM 723 CA PRO A 45 6.539 -4.538 9.787 1.00 0.00 C ATOM 724 C PRO A 45 6.670 -3.054 9.404 1.00 0.00 C ATOM 725 O PRO A 45 6.939 -2.248 10.296 1.00 0.00 O ATOM 726 CB PRO A 45 7.851 -5.101 10.323 1.00 0.00 C ATOM 727 CG PRO A 45 8.551 -5.743 9.136 1.00 0.00 C ATOM 728 CD PRO A 45 7.406 -6.091 8.198 1.00 0.00 C ATOM 0 HA PRO A 45 5.741 -4.543 10.530 1.00 0.00 H new ATOM 0 HB2 PRO A 45 8.465 -4.312 10.757 1.00 0.00 H new ATOM 0 HB3 PRO A 45 7.668 -5.833 11.110 1.00 0.00 H new ATOM 0 HG2 PRO A 45 9.259 -5.059 8.669 1.00 0.00 H new ATOM 0 HG3 PRO A 45 9.112 -6.630 9.432 1.00 0.00 H new ATOM 0 HD2 PRO A 45 7.645 -5.794 7.177 1.00 0.00 H new ATOM 0 HD3 PRO A 45 7.236 -7.168 8.185 1.00 0.00 H new ATOM 736 N ALA A 46 6.520 -2.685 8.120 1.00 0.00 N ATOM 737 CA ALA A 46 6.660 -1.302 7.662 1.00 0.00 C ATOM 738 C ALA A 46 5.393 -0.509 7.990 1.00 0.00 C ATOM 739 O ALA A 46 4.383 -1.092 8.395 1.00 0.00 O ATOM 740 CB ALA A 46 6.904 -1.281 6.149 1.00 0.00 C ATOM 0 H ALA A 46 6.298 -3.343 7.373 1.00 0.00 H new ATOM 0 HA ALA A 46 7.508 -0.844 8.172 1.00 0.00 H new ATOM 0 HB1 ALA A 46 7.008 -0.250 5.811 1.00 0.00 H new ATOM 0 HB2 ALA A 46 7.817 -1.831 5.920 1.00 0.00 H new ATOM 0 HB3 ALA A 46 6.061 -1.747 5.638 1.00 0.00 H new ATOM 746 N LYS A 47 5.395 0.819 7.805 1.00 0.00 N ATOM 747 CA LYS A 47 4.173 1.583 7.907 1.00 0.00 C ATOM 748 C LYS A 47 3.494 1.375 6.563 1.00 0.00 C ATOM 749 O LYS A 47 4.142 1.477 5.514 1.00 0.00 O ATOM 750 CB LYS A 47 4.509 3.028 8.267 1.00 0.00 C ATOM 751 CG LYS A 47 5.055 3.782 7.065 1.00 0.00 C ATOM 752 CD LYS A 47 5.710 5.122 7.280 1.00 0.00 C ATOM 753 CE LYS A 47 4.967 5.960 8.305 1.00 0.00 C ATOM 754 NZ LYS A 47 5.694 7.198 8.648 1.00 0.00 N ATOM 0 H LYS A 47 6.226 1.369 7.587 1.00 0.00 H new ATOM 0 HA LYS A 47 3.491 1.274 8.699 1.00 0.00 H new ATOM 0 HB2 LYS A 47 3.616 3.530 8.639 1.00 0.00 H new ATOM 0 HB3 LYS A 47 5.243 3.043 9.073 1.00 0.00 H new ATOM 0 HG2 LYS A 47 5.782 3.135 6.573 1.00 0.00 H new ATOM 0 HG3 LYS A 47 4.232 3.926 6.365 1.00 0.00 H new ATOM 0 HD2 LYS A 47 6.738 4.974 7.609 1.00 0.00 H new ATOM 0 HD3 LYS A 47 5.753 5.661 6.333 1.00 0.00 H new ATOM 0 HE2 LYS A 47 3.981 6.216 7.917 1.00 0.00 H new ATOM 0 HE3 LYS A 47 4.811 5.371 9.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 5.149 7.737 9.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 6.625 6.956 9.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 5.821 7.774 7.792 1.00 0.00 H new ATOM 768 N VAL A 48 2.242 0.960 6.585 1.00 0.00 N ATOM 769 CA VAL A 48 1.501 0.529 5.453 1.00 0.00 C ATOM 770 C VAL A 48 0.126 1.091 5.654 1.00 0.00 C ATOM 771 O VAL A 48 -0.340 1.227 6.782 1.00 0.00 O ATOM 772 CB VAL A 48 1.494 -0.993 5.452 1.00 0.00 C ATOM 773 CG1 VAL A 48 2.884 -1.489 5.021 1.00 0.00 C ATOM 774 CG2 VAL A 48 1.038 -1.627 6.771 1.00 0.00 C ATOM 0 H VAL A 48 1.700 0.919 7.448 1.00 0.00 H new ATOM 0 HA VAL A 48 1.911 0.859 4.499 1.00 0.00 H new ATOM 0 HB VAL A 48 0.740 -1.318 4.735 1.00 0.00 H new ATOM 0 HG11 VAL A 48 2.896 -2.579 5.015 1.00 0.00 H new ATOM 0 HG12 VAL A 48 3.109 -1.118 4.021 1.00 0.00 H new ATOM 0 HG13 VAL A 48 3.635 -1.122 5.721 1.00 0.00 H new ATOM 0 HG21 VAL A 48 1.064 -2.713 6.681 1.00 0.00 H new ATOM 0 HG22 VAL A 48 1.704 -1.314 7.575 1.00 0.00 H new ATOM 0 HG23 VAL A 48 0.021 -1.306 6.997 1.00 0.00 H new ATOM 784 N TYR A 49 -0.510 1.422 4.552 1.00 0.00 N ATOM 785 CA TYR A 49 -1.713 2.208 4.534 1.00 0.00 C ATOM 786 C TYR A 49 -2.373 1.954 3.182 1.00 0.00 C ATOM 787 O TYR A 49 -1.703 1.517 2.248 1.00 0.00 O ATOM 788 CB TYR A 49 -1.316 3.681 4.656 1.00 0.00 C ATOM 789 CG TYR A 49 -0.498 4.112 5.869 1.00 0.00 C ATOM 790 CD1 TYR A 49 -1.115 4.209 7.128 1.00 0.00 C ATOM 791 CD2 TYR A 49 0.865 4.458 5.749 1.00 0.00 C ATOM 792 CE1 TYR A 49 -0.393 4.619 8.262 1.00 0.00 C ATOM 793 CE2 TYR A 49 1.579 4.915 6.865 1.00 0.00 C ATOM 794 CZ TYR A 49 0.966 4.972 8.132 1.00 0.00 C ATOM 795 OH TYR A 49 1.706 5.348 9.208 1.00 0.00 O ATOM 0 H TYR A 49 -0.193 1.143 3.624 1.00 0.00 H new ATOM 0 HA TYR A 49 -2.393 1.953 5.347 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -0.752 3.948 3.763 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -2.231 4.274 4.644 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -2.162 3.964 7.226 1.00 0.00 H new ATOM 0 HD2 TYR A 49 1.360 4.370 4.793 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -0.876 4.663 9.227 1.00 0.00 H new ATOM 0 HE2 TYR A 49 2.607 5.226 6.753 1.00 0.00 H new ATOM 0 HH TYR A 49 1.367 4.900 10.011 1.00 0.00 H new ATOM 805 N ALA A 50 -3.655 2.256 3.033 1.00 0.00 N ATOM 806 CA ALA A 50 -4.376 2.161 1.765 1.00 0.00 C ATOM 807 C ALA A 50 -5.058 3.502 1.522 1.00 0.00 C ATOM 808 O ALA A 50 -5.408 4.183 2.491 1.00 0.00 O ATOM 809 CB ALA A 50 -5.411 1.040 1.866 1.00 0.00 C ATOM 0 H ALA A 50 -4.238 2.581 3.804 1.00 0.00 H new ATOM 0 HA ALA A 50 -3.702 1.935 0.939 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -5.955 0.961 0.925 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -4.906 0.097 2.074 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -6.111 1.262 2.672 1.00 0.00 H new ATOM 815 N ILE A 51 -5.309 3.857 0.260 1.00 0.00 N ATOM 816 CA ILE A 51 -6.078 5.040 -0.057 1.00 0.00 C ATOM 817 C ILE A 51 -7.531 4.657 0.140 1.00 0.00 C ATOM 818 O ILE A 51 -8.076 3.792 -0.550 1.00 0.00 O ATOM 819 CB ILE A 51 -5.718 5.551 -1.472 1.00 0.00 C ATOM 820 CG1 ILE A 51 -4.352 6.235 -1.544 1.00 0.00 C ATOM 821 CG2 ILE A 51 -6.795 6.520 -1.997 1.00 0.00 C ATOM 822 CD1 ILE A 51 -4.034 7.264 -0.457 1.00 0.00 C ATOM 0 H ILE A 51 -4.986 3.334 -0.554 1.00 0.00 H new ATOM 0 HA ILE A 51 -5.855 5.888 0.591 1.00 0.00 H new ATOM 0 HB ILE A 51 -5.672 4.662 -2.100 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -3.584 5.462 -1.514 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -4.271 6.729 -2.512 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -6.519 6.865 -2.993 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -7.755 6.006 -2.044 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -6.874 7.375 -1.325 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -3.037 7.673 -0.624 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -4.768 8.069 -0.493 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -4.070 6.783 0.521 1.00 0.00 H new ATOM 834 N LYS A 52 -8.142 5.324 1.122 1.00 0.00 N ATOM 835 CA LYS A 52 -9.543 5.175 1.442 1.00 0.00 C ATOM 836 C LYS A 52 -10.383 5.314 0.187 1.00 0.00 C ATOM 837 O LYS A 52 -11.125 4.401 -0.148 1.00 0.00 O ATOM 838 CB LYS A 52 -9.925 6.174 2.546 1.00 0.00 C ATOM 839 CG LYS A 52 -11.375 5.975 3.012 1.00 0.00 C ATOM 840 CD LYS A 52 -11.497 5.725 4.514 1.00 0.00 C ATOM 841 CE LYS A 52 -11.328 6.969 5.373 1.00 0.00 C ATOM 842 NZ LYS A 52 -11.587 6.692 6.799 1.00 0.00 N ATOM 0 H LYS A 52 -7.658 5.992 1.722 1.00 0.00 H new ATOM 0 HA LYS A 52 -9.741 4.177 1.833 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -9.250 6.056 3.394 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -9.797 7.192 2.177 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -11.958 6.857 2.749 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -11.810 5.133 2.474 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -12.474 5.286 4.719 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -10.749 4.989 4.810 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -10.316 7.356 5.256 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -12.008 7.746 5.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -11.163 7.443 7.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -12.613 6.662 6.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -11.167 5.776 7.056 1.00 0.00 H new ATOM 856 N ASP A 53 -10.257 6.437 -0.513 1.00 0.00 N ATOM 857 CA ASP A 53 -11.198 6.777 -1.567 1.00 0.00 C ATOM 858 C ASP A 53 -11.201 5.746 -2.680 1.00 0.00 C ATOM 859 O ASP A 53 -12.283 5.339 -3.091 1.00 0.00 O ATOM 860 CB ASP A 53 -10.953 8.184 -2.108 1.00 0.00 C ATOM 861 CG ASP A 53 -11.533 9.228 -1.158 1.00 0.00 C ATOM 862 OD1 ASP A 53 -12.719 9.108 -0.765 1.00 0.00 O ATOM 863 OD2 ASP A 53 -10.802 10.172 -0.789 1.00 0.00 O ATOM 0 H ASP A 53 -9.515 7.122 -0.368 1.00 0.00 H new ATOM 0 HA ASP A 53 -12.192 6.767 -1.120 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -9.883 8.351 -2.233 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -11.409 8.286 -3.093 1.00 0.00 H new ATOM 868 N ASP A 54 -10.049 5.273 -3.171 1.00 0.00 N ATOM 869 CA ASP A 54 -10.110 4.233 -4.196 1.00 0.00 C ATOM 870 C ASP A 54 -10.557 2.862 -3.668 1.00 0.00 C ATOM 871 O ASP A 54 -11.129 2.092 -4.438 1.00 0.00 O ATOM 872 CB ASP A 54 -8.814 4.152 -4.984 1.00 0.00 C ATOM 873 CG ASP A 54 -7.744 3.312 -4.340 1.00 0.00 C ATOM 874 OD1 ASP A 54 -7.895 2.073 -4.311 1.00 0.00 O ATOM 875 OD2 ASP A 54 -6.678 3.904 -4.092 1.00 0.00 O ATOM 0 H ASP A 54 -9.115 5.574 -2.893 1.00 0.00 H new ATOM 0 HA ASP A 54 -10.899 4.539 -4.883 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -9.029 3.748 -5.973 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -8.428 5.161 -5.129 1.00 0.00 H new ATOM 880 N PHE A 55 -10.401 2.566 -2.372 1.00 0.00 N ATOM 881 CA PHE A 55 -10.915 1.325 -1.791 1.00 0.00 C ATOM 882 C PHE A 55 -12.438 1.346 -1.759 1.00 0.00 C ATOM 883 O PHE A 55 -13.099 0.361 -2.094 1.00 0.00 O ATOM 884 CB PHE A 55 -10.380 1.137 -0.366 1.00 0.00 C ATOM 885 CG PHE A 55 -10.515 -0.265 0.210 1.00 0.00 C ATOM 886 CD1 PHE A 55 -10.118 -1.392 -0.531 1.00 0.00 C ATOM 887 CD2 PHE A 55 -10.996 -0.459 1.515 1.00 0.00 C ATOM 888 CE1 PHE A 55 -10.055 -2.666 0.058 1.00 0.00 C ATOM 889 CE2 PHE A 55 -11.058 -1.752 2.060 1.00 0.00 C ATOM 890 CZ PHE A 55 -10.531 -2.852 1.363 1.00 0.00 C ATOM 0 H PHE A 55 -9.921 3.172 -1.706 1.00 0.00 H new ATOM 0 HA PHE A 55 -10.579 0.495 -2.412 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -9.326 1.415 -0.354 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -10.901 1.832 0.293 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -9.857 -1.276 -1.572 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -11.319 0.388 2.101 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -9.642 -3.498 -0.492 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -11.516 -1.902 3.026 1.00 0.00 H new ATOM 0 HZ PHE A 55 -10.493 -3.827 1.826 1.00 0.00 H new ATOM 900 N LEU A 56 -12.992 2.498 -1.389 1.00 0.00 N ATOM 901 CA LEU A 56 -14.412 2.791 -1.433 1.00 0.00 C ATOM 902 C LEU A 56 -14.892 2.742 -2.878 1.00 0.00 C ATOM 903 O LEU A 56 -15.941 2.163 -3.162 1.00 0.00 O ATOM 904 CB LEU A 56 -14.655 4.169 -0.805 1.00 0.00 C ATOM 905 CG LEU A 56 -14.242 4.280 0.677 1.00 0.00 C ATOM 906 CD1 LEU A 56 -14.287 5.759 1.077 1.00 0.00 C ATOM 907 CD2 LEU A 56 -15.187 3.493 1.596 1.00 0.00 C ATOM 0 H LEU A 56 -12.438 3.279 -1.038 1.00 0.00 H new ATOM 0 HA LEU A 56 -14.976 2.050 -0.866 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -14.107 4.917 -1.378 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -15.714 4.412 -0.893 1.00 0.00 H new ATOM 0 HG LEU A 56 -13.241 3.863 0.788 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -13.998 5.862 2.123 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -13.597 6.326 0.452 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -15.298 6.142 0.940 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -14.860 3.598 2.630 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -16.200 3.882 1.495 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -15.173 2.440 1.316 1.00 0.00 H new ATOM 919 N ALA A 57 -14.092 3.255 -3.817 1.00 0.00 N ATOM 920 CA ALA A 57 -14.353 3.123 -5.243 1.00 0.00 C ATOM 921 C ALA A 57 -14.228 1.670 -5.725 1.00 0.00 C ATOM 922 O ALA A 57 -14.655 1.353 -6.841 1.00 0.00 O ATOM 923 CB ALA A 57 -13.415 4.028 -6.049 1.00 0.00 C ATOM 0 H ALA A 57 -13.242 3.776 -3.602 1.00 0.00 H new ATOM 0 HA ALA A 57 -15.384 3.436 -5.408 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -13.626 3.915 -7.113 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -13.571 5.066 -5.756 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -12.380 3.747 -5.852 1.00 0.00 H new ATOM 929 N ARG A 58 -13.699 0.761 -4.898 1.00 0.00 N ATOM 930 CA ARG A 58 -13.660 -0.668 -5.194 1.00 0.00 C ATOM 931 C ARG A 58 -14.613 -1.395 -4.244 1.00 0.00 C ATOM 932 O ARG A 58 -14.389 -2.559 -3.934 1.00 0.00 O ATOM 933 CB ARG A 58 -12.184 -1.120 -5.076 1.00 0.00 C ATOM 934 CG ARG A 58 -11.816 -2.371 -5.894 1.00 0.00 C ATOM 935 CD ARG A 58 -10.364 -2.358 -6.393 1.00 0.00 C ATOM 936 NE ARG A 58 -10.303 -2.804 -7.796 1.00 0.00 N ATOM 937 CZ ARG A 58 -10.575 -2.025 -8.850 1.00 0.00 C ATOM 938 NH1 ARG A 58 -10.556 -0.700 -8.731 1.00 0.00 N ATOM 939 NH2 ARG A 58 -10.860 -2.584 -10.019 1.00 0.00 N ATOM 0 H ARG A 58 -13.284 1.003 -3.998 1.00 0.00 H new ATOM 0 HA ARG A 58 -14.000 -0.905 -6.202 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -11.542 -0.297 -5.391 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -11.962 -1.313 -4.026 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -11.976 -3.258 -5.281 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -12.487 -2.449 -6.749 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -9.951 -1.353 -6.305 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -9.752 -3.010 -5.770 1.00 0.00 H new ATOM 0 HE ARG A 58 -10.035 -3.772 -7.976 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -10.333 -0.272 -7.832 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -10.764 -0.112 -9.538 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -10.871 -3.600 -10.109 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -11.068 -1.998 -10.827 1.00 0.00 H new ATOM 953 N GLY A 59 -15.756 -0.780 -3.925 1.00 0.00 N ATOM 954 CA GLY A 59 -16.879 -1.396 -3.227 1.00 0.00 C ATOM 955 C GLY A 59 -16.593 -1.899 -1.809 1.00 0.00 C ATOM 956 O GLY A 59 -17.492 -2.503 -1.221 1.00 0.00 O ATOM 0 H GLY A 59 -15.927 0.199 -4.157 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -17.692 -0.672 -3.177 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -17.236 -2.235 -3.824 1.00 0.00 H new ATOM 960 N TYR A 60 -15.400 -1.683 -1.250 1.00 0.00 N ATOM 961 CA TYR A 60 -15.021 -2.148 0.070 1.00 0.00 C ATOM 962 C TYR A 60 -15.403 -1.077 1.103 1.00 0.00 C ATOM 963 O TYR A 60 -15.832 0.027 0.756 1.00 0.00 O ATOM 964 CB TYR A 60 -13.514 -2.413 0.109 1.00 0.00 C ATOM 965 CG TYR A 60 -12.923 -3.535 -0.739 1.00 0.00 C ATOM 966 CD1 TYR A 60 -12.772 -4.828 -0.199 1.00 0.00 C ATOM 967 CD2 TYR A 60 -12.323 -3.251 -1.978 1.00 0.00 C ATOM 968 CE1 TYR A 60 -12.127 -5.852 -0.917 1.00 0.00 C ATOM 969 CE2 TYR A 60 -11.620 -4.252 -2.673 1.00 0.00 C ATOM 970 CZ TYR A 60 -11.551 -5.565 -2.172 1.00 0.00 C ATOM 971 OH TYR A 60 -10.872 -6.508 -2.882 1.00 0.00 O ATOM 0 H TYR A 60 -14.658 -1.166 -1.722 1.00 0.00 H new ATOM 0 HA TYR A 60 -15.542 -3.076 0.304 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -13.013 -1.489 -0.179 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -13.245 -2.612 1.146 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -13.160 -5.037 0.787 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -12.402 -2.259 -2.399 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -12.073 -6.851 -0.510 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -11.127 -4.010 -3.603 1.00 0.00 H new ATOM 0 HH TYR A 60 -10.245 -6.068 -3.494 1.00 0.00 H new ATOM 981 N SER A 61 -15.232 -1.385 2.384 1.00 0.00 N ATOM 982 CA SER A 61 -15.639 -0.557 3.510 1.00 0.00 C ATOM 983 C SER A 61 -14.423 -0.163 4.352 1.00 0.00 C ATOM 984 O SER A 61 -13.289 -0.289 3.880 1.00 0.00 O ATOM 985 CB SER A 61 -16.665 -1.380 4.270 1.00 0.00 C ATOM 986 OG SER A 61 -16.024 -2.432 4.974 1.00 0.00 O ATOM 0 H SER A 61 -14.787 -2.255 2.677 1.00 0.00 H new ATOM 0 HA SER A 61 -16.082 0.390 3.203 1.00 0.00 H new ATOM 0 HB2 SER A 61 -17.208 -0.743 4.968 1.00 0.00 H new ATOM 0 HB3 SER A 61 -17.399 -1.791 3.576 1.00 0.00 H new ATOM 0 HG SER A 61 -16.694 -2.955 5.462 1.00 0.00 H new ATOM 992 N GLU A 62 -14.615 0.327 5.583 1.00 0.00 N ATOM 993 CA GLU A 62 -13.481 0.585 6.468 1.00 0.00 C ATOM 994 C GLU A 62 -13.051 -0.638 7.276 1.00 0.00 C ATOM 995 O GLU A 62 -11.969 -0.655 7.869 1.00 0.00 O ATOM 996 CB GLU A 62 -13.716 1.775 7.389 1.00 0.00 C ATOM 997 CG GLU A 62 -13.935 3.056 6.581 1.00 0.00 C ATOM 998 CD GLU A 62 -13.379 4.301 7.268 1.00 0.00 C ATOM 999 OE1 GLU A 62 -12.258 4.250 7.837 1.00 0.00 O ATOM 1000 OE2 GLU A 62 -13.964 5.389 7.091 1.00 0.00 O ATOM 0 H GLU A 62 -15.528 0.548 5.980 1.00 0.00 H new ATOM 0 HA GLU A 62 -12.658 0.833 5.798 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -14.584 1.586 8.020 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -12.861 1.901 8.053 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -13.464 2.947 5.604 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -15.003 3.191 6.407 1.00 0.00 H new ATOM 1007 N GLU A 63 -13.876 -1.681 7.301 1.00 0.00 N ATOM 1008 CA GLU A 63 -13.636 -2.886 8.079 1.00 0.00 C ATOM 1009 C GLU A 63 -13.341 -4.079 7.166 1.00 0.00 C ATOM 1010 O GLU A 63 -12.871 -5.118 7.630 1.00 0.00 O ATOM 1011 CB GLU A 63 -14.824 -3.079 9.010 1.00 0.00 C ATOM 1012 CG GLU A 63 -14.698 -2.122 10.202 1.00 0.00 C ATOM 1013 CD GLU A 63 -15.904 -2.163 11.133 1.00 0.00 C ATOM 1014 OE1 GLU A 63 -16.973 -1.650 10.737 1.00 0.00 O ATOM 1015 OE2 GLU A 63 -15.731 -2.582 12.303 1.00 0.00 O ATOM 0 H GLU A 63 -14.746 -1.710 6.770 1.00 0.00 H new ATOM 0 HA GLU A 63 -12.742 -2.794 8.696 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -15.754 -2.890 8.474 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -14.862 -4.111 9.360 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -13.801 -2.373 10.768 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -14.567 -1.105 9.832 1.00 0.00 H new ATOM 1022 N ASP A 64 -13.512 -3.911 5.854 1.00 0.00 N ATOM 1023 CA ASP A 64 -12.991 -4.840 4.866 1.00 0.00 C ATOM 1024 C ASP A 64 -11.480 -4.676 4.658 1.00 0.00 C ATOM 1025 O ASP A 64 -10.870 -5.576 4.076 1.00 0.00 O ATOM 1026 CB ASP A 64 -13.658 -4.621 3.507 1.00 0.00 C ATOM 1027 CG ASP A 64 -15.073 -5.160 3.377 1.00 0.00 C ATOM 1028 OD1 ASP A 64 -15.364 -6.283 3.837 1.00 0.00 O ATOM 1029 OD2 ASP A 64 -15.927 -4.465 2.774 1.00 0.00 O ATOM 0 H ASP A 64 -14.018 -3.122 5.451 1.00 0.00 H new ATOM 0 HA ASP A 64 -13.204 -5.837 5.252 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -13.675 -3.551 3.299 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -13.039 -5.085 2.739 1.00 0.00 H new ATOM 1034 N SER A 65 -10.866 -3.550 5.051 1.00 0.00 N ATOM 1035 CA SER A 65 -9.434 -3.347 4.848 1.00 0.00 C ATOM 1036 C SER A 65 -8.713 -3.795 6.110 1.00 0.00 C ATOM 1037 O SER A 65 -9.015 -3.278 7.194 1.00 0.00 O ATOM 1038 CB SER A 65 -9.049 -1.870 4.659 1.00 0.00 C ATOM 1039 OG SER A 65 -7.707 -1.757 4.222 1.00 0.00 O ATOM 0 H SER A 65 -11.341 -2.772 5.509 1.00 0.00 H new ATOM 0 HA SER A 65 -9.163 -3.905 3.952 1.00 0.00 H new ATOM 0 HB2 SER A 65 -9.714 -1.405 3.931 1.00 0.00 H new ATOM 0 HB3 SER A 65 -9.178 -1.332 5.598 1.00 0.00 H new ATOM 0 HG SER A 65 -7.480 -0.811 4.105 1.00 0.00 H new ATOM 1045 N LYS A 66 -7.680 -4.630 5.966 1.00 0.00 N ATOM 1046 CA LYS A 66 -6.776 -4.910 7.078 1.00 0.00 C ATOM 1047 C LYS A 66 -5.515 -4.059 7.068 1.00 0.00 C ATOM 1048 O LYS A 66 -4.456 -4.533 7.494 1.00 0.00 O ATOM 1049 CB LYS A 66 -6.498 -6.413 7.127 1.00 0.00 C ATOM 1050 CG LYS A 66 -5.700 -6.991 5.952 1.00 0.00 C ATOM 1051 CD LYS A 66 -4.689 -8.011 6.450 1.00 0.00 C ATOM 1052 CE LYS A 66 -3.999 -8.732 5.295 1.00 0.00 C ATOM 1053 NZ LYS A 66 -2.851 -9.482 5.813 1.00 0.00 N ATOM 0 H LYS A 66 -7.453 -5.118 5.099 1.00 0.00 H new ATOM 0 HA LYS A 66 -7.269 -4.618 8.005 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -5.959 -6.632 8.049 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -7.452 -6.937 7.184 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -6.378 -7.460 5.239 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -5.186 -6.188 5.423 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -3.941 -7.511 7.066 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -5.191 -8.740 7.086 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -4.698 -9.408 4.803 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -3.670 -8.012 4.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -2.899 -10.465 5.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -1.970 -9.044 5.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -2.869 -9.470 6.853 1.00 0.00 H new ATOM 1067 N VAL A 67 -5.613 -2.784 6.687 1.00 0.00 N ATOM 1068 CA VAL A 67 -4.541 -1.810 6.867 1.00 0.00 C ATOM 1069 C VAL A 67 -5.217 -0.498 7.258 1.00 0.00 C ATOM 1070 O VAL A 67 -6.435 -0.370 7.119 1.00 0.00 O ATOM 1071 CB VAL A 67 -3.606 -1.740 5.632 1.00 0.00 C ATOM 1072 CG1 VAL A 67 -3.262 -3.128 5.068 1.00 0.00 C ATOM 1073 CG2 VAL A 67 -4.117 -0.855 4.497 1.00 0.00 C ATOM 0 H VAL A 67 -6.446 -2.398 6.242 1.00 0.00 H new ATOM 0 HA VAL A 67 -3.853 -2.094 7.663 1.00 0.00 H new ATOM 0 HB VAL A 67 -2.704 -1.274 6.028 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -2.605 -3.018 4.205 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -2.759 -3.718 5.834 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -4.178 -3.635 4.764 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -3.400 -0.866 3.676 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -5.077 -1.233 4.145 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -4.239 0.166 4.859 1.00 0.00 H new ATOM 1083 N PRO A 68 -4.472 0.460 7.812 1.00 0.00 N ATOM 1084 CA PRO A 68 -5.002 1.753 8.164 1.00 0.00 C ATOM 1085 C PRO A 68 -5.337 2.522 6.896 1.00 0.00 C ATOM 1086 O PRO A 68 -4.484 2.781 6.041 1.00 0.00 O ATOM 1087 CB PRO A 68 -3.958 2.387 9.073 1.00 0.00 C ATOM 1088 CG PRO A 68 -2.680 1.566 8.940 1.00 0.00 C ATOM 1089 CD PRO A 68 -3.044 0.414 8.014 1.00 0.00 C ATOM 0 HA PRO A 68 -5.946 1.725 8.709 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -3.780 3.424 8.788 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -4.303 2.395 10.107 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -1.869 2.164 8.525 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -2.343 1.201 9.910 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -2.518 0.504 7.063 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -2.748 -0.539 8.452 1.00 0.00 H new ATOM 1097 N LEU A 69 -6.623 2.807 6.744 1.00 0.00 N ATOM 1098 CA LEU A 69 -7.154 3.536 5.616 1.00 0.00 C ATOM 1099 C LEU A 69 -6.911 5.005 5.872 1.00 0.00 C ATOM 1100 O LEU A 69 -7.446 5.600 6.814 1.00 0.00 O ATOM 1101 CB LEU A 69 -8.642 3.248 5.445 1.00 0.00 C ATOM 1102 CG LEU A 69 -8.941 1.789 5.085 1.00 0.00 C ATOM 1103 CD1 LEU A 69 -10.352 1.450 5.546 1.00 0.00 C ATOM 1104 CD2 LEU A 69 -8.823 1.587 3.572 1.00 0.00 C ATOM 0 H LEU A 69 -7.335 2.529 7.419 1.00 0.00 H new ATOM 0 HA LEU A 69 -6.662 3.229 4.693 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -9.162 3.501 6.369 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -9.043 3.896 4.666 1.00 0.00 H new ATOM 0 HG LEU A 69 -8.223 1.134 5.579 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -10.577 0.413 5.295 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -10.425 1.587 6.625 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -11.065 2.107 5.048 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -9.037 0.547 3.326 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -9.536 2.235 3.062 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -7.812 1.835 3.250 1.00 0.00 H new ATOM 1116 N ILE A 70 -6.057 5.577 5.045 1.00 0.00 N ATOM 1117 CA ILE A 70 -5.654 6.966 5.137 1.00 0.00 C ATOM 1118 C ILE A 70 -6.252 7.742 3.961 1.00 0.00 C ATOM 1119 O ILE A 70 -6.781 7.151 3.010 1.00 0.00 O ATOM 1120 CB ILE A 70 -4.122 7.058 5.257 1.00 0.00 C ATOM 1121 CG1 ILE A 70 -3.392 6.748 3.929 1.00 0.00 C ATOM 1122 CG2 ILE A 70 -3.634 6.214 6.450 1.00 0.00 C ATOM 1123 CD1 ILE A 70 -1.875 6.970 3.963 1.00 0.00 C ATOM 0 H ILE A 70 -5.615 5.077 4.274 1.00 0.00 H new ATOM 0 HA ILE A 70 -6.045 7.435 6.040 1.00 0.00 H new ATOM 0 HB ILE A 70 -3.857 8.095 5.465 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -3.587 5.711 3.657 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -3.819 7.370 3.142 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -2.549 6.285 6.527 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -4.088 6.586 7.369 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -3.919 5.173 6.300 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -1.450 6.727 2.989 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -1.665 8.013 4.201 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -1.430 6.328 4.723 1.00 0.00 H new ATOM 1135 N THR A 71 -6.185 9.069 4.023 1.00 0.00 N ATOM 1136 CA THR A 71 -6.571 9.886 2.890 1.00 0.00 C ATOM 1137 C THR A 71 -5.427 9.930 1.869 1.00 0.00 C ATOM 1138 O THR A 71 -4.278 9.607 2.187 1.00 0.00 O ATOM 1139 CB THR A 71 -6.846 11.325 3.354 1.00 0.00 C ATOM 1140 OG1 THR A 71 -5.797 11.835 4.171 1.00 0.00 O ATOM 1141 CG2 THR A 71 -8.172 11.414 4.098 1.00 0.00 C ATOM 0 H THR A 71 -5.870 9.592 4.840 1.00 0.00 H new ATOM 0 HA THR A 71 -7.466 9.455 2.441 1.00 0.00 H new ATOM 0 HB THR A 71 -6.899 11.939 2.455 1.00 0.00 H new ATOM 0 HG1 THR A 71 -5.522 12.715 3.839 1.00 0.00 H new ATOM 0 HG21 THR A 71 -8.343 12.443 4.416 1.00 0.00 H new ATOM 0 HG22 THR A 71 -8.981 11.099 3.439 1.00 0.00 H new ATOM 0 HG23 THR A 71 -8.143 10.764 4.973 1.00 0.00 H new ATOM 1149 N TYR A 72 -5.690 10.491 0.688 1.00 0.00 N ATOM 1150 CA TYR A 72 -4.621 10.883 -0.226 1.00 0.00 C ATOM 1151 C TYR A 72 -3.583 11.813 0.421 1.00 0.00 C ATOM 1152 O TYR A 72 -2.409 11.698 0.097 1.00 0.00 O ATOM 1153 CB TYR A 72 -5.210 11.514 -1.493 1.00 0.00 C ATOM 1154 CG TYR A 72 -5.788 10.538 -2.506 1.00 0.00 C ATOM 1155 CD1 TYR A 72 -4.942 9.592 -3.114 1.00 0.00 C ATOM 1156 CD2 TYR A 72 -7.134 10.629 -2.911 1.00 0.00 C ATOM 1157 CE1 TYR A 72 -5.411 8.803 -4.177 1.00 0.00 C ATOM 1158 CE2 TYR A 72 -7.624 9.812 -3.947 1.00 0.00 C ATOM 1159 CZ TYR A 72 -6.756 8.909 -4.600 1.00 0.00 C ATOM 1160 OH TYR A 72 -7.226 8.132 -5.615 1.00 0.00 O ATOM 0 H TYR A 72 -6.631 10.683 0.344 1.00 0.00 H new ATOM 0 HA TYR A 72 -4.085 9.973 -0.494 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -5.994 12.211 -1.199 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -4.431 12.098 -1.982 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -3.928 9.472 -2.762 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -7.795 11.331 -2.423 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -4.743 8.114 -4.672 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -8.661 9.875 -4.242 1.00 0.00 H new ATOM 0 HH TYR A 72 -8.171 8.336 -5.772 1.00 0.00 H new ATOM 1170 N SER A 73 -3.964 12.714 1.332 1.00 0.00 N ATOM 1171 CA SER A 73 -3.004 13.667 1.885 1.00 0.00 C ATOM 1172 C SER A 73 -2.038 13.042 2.886 1.00 0.00 C ATOM 1173 O SER A 73 -0.856 13.373 2.907 1.00 0.00 O ATOM 1174 CB SER A 73 -3.748 14.829 2.517 1.00 0.00 C ATOM 1175 OG SER A 73 -4.862 14.454 3.325 1.00 0.00 O ATOM 0 H SER A 73 -4.913 12.801 1.695 1.00 0.00 H new ATOM 0 HA SER A 73 -2.391 14.021 1.056 1.00 0.00 H new ATOM 0 HB2 SER A 73 -3.050 15.401 3.128 1.00 0.00 H new ATOM 0 HB3 SER A 73 -4.097 15.493 1.726 1.00 0.00 H new ATOM 0 HG SER A 73 -5.283 15.258 3.695 1.00 0.00 H new ATOM 1181 N GLU A 74 -2.537 12.130 3.713 1.00 0.00 N ATOM 1182 CA GLU A 74 -1.726 11.360 4.651 1.00 0.00 C ATOM 1183 C GLU A 74 -0.654 10.593 3.886 1.00 0.00 C ATOM 1184 O GLU A 74 0.467 10.481 4.368 1.00 0.00 O ATOM 1185 CB GLU A 74 -2.622 10.373 5.402 1.00 0.00 C ATOM 1186 CG GLU A 74 -3.308 10.962 6.632 1.00 0.00 C ATOM 1187 CD GLU A 74 -2.498 10.768 7.916 1.00 0.00 C ATOM 1188 OE1 GLU A 74 -1.282 11.072 7.941 1.00 0.00 O ATOM 1189 OE2 GLU A 74 -3.091 10.312 8.921 1.00 0.00 O ATOM 0 H GLU A 74 -3.530 11.901 3.752 1.00 0.00 H new ATOM 0 HA GLU A 74 -1.250 12.035 5.362 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -3.384 9.999 4.719 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -2.022 9.516 5.710 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -3.477 12.027 6.472 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -4.287 10.498 6.753 1.00 0.00 H new ATOM 1196 N PHE A 75 -0.986 10.087 2.694 1.00 0.00 N ATOM 1197 CA PHE A 75 -0.029 9.452 1.804 1.00 0.00 C ATOM 1198 C PHE A 75 1.047 10.456 1.399 1.00 0.00 C ATOM 1199 O PHE A 75 2.213 10.103 1.520 1.00 0.00 O ATOM 1200 CB PHE A 75 -0.783 8.827 0.621 1.00 0.00 C ATOM 1201 CG PHE A 75 -0.004 8.488 -0.640 1.00 0.00 C ATOM 1202 CD1 PHE A 75 1.229 7.811 -0.584 1.00 0.00 C ATOM 1203 CD2 PHE A 75 -0.566 8.793 -1.895 1.00 0.00 C ATOM 1204 CE1 PHE A 75 1.856 7.383 -1.766 1.00 0.00 C ATOM 1205 CE2 PHE A 75 0.060 8.362 -3.077 1.00 0.00 C ATOM 1206 CZ PHE A 75 1.264 7.641 -3.014 1.00 0.00 C ATOM 0 H PHE A 75 -1.936 10.111 2.324 1.00 0.00 H new ATOM 0 HA PHE A 75 0.497 8.639 2.304 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -1.254 7.910 0.976 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -1.585 9.510 0.341 1.00 0.00 H new ATOM 0 HD1 PHE A 75 1.695 7.620 0.371 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -1.483 9.361 -1.949 1.00 0.00 H new ATOM 0 HE1 PHE A 75 2.796 6.854 -1.715 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -0.385 8.585 -4.035 1.00 0.00 H new ATOM 0 HZ PHE A 75 1.732 7.287 -3.920 1.00 0.00 H new ATOM 1216 N ILE A 76 0.701 11.680 0.980 1.00 0.00 N ATOM 1217 CA ILE A 76 1.689 12.694 0.600 1.00 0.00 C ATOM 1218 C ILE A 76 2.677 12.949 1.733 1.00 0.00 C ATOM 1219 O ILE A 76 3.865 13.031 1.443 1.00 0.00 O ATOM 1220 CB ILE A 76 1.039 14.009 0.111 1.00 0.00 C ATOM 1221 CG1 ILE A 76 0.060 13.791 -1.058 1.00 0.00 C ATOM 1222 CG2 ILE A 76 2.106 15.038 -0.307 1.00 0.00 C ATOM 1223 CD1 ILE A 76 0.622 12.967 -2.229 1.00 0.00 C ATOM 0 H ILE A 76 -0.266 11.993 0.896 1.00 0.00 H new ATOM 0 HA ILE A 76 2.241 12.291 -0.249 1.00 0.00 H new ATOM 0 HB ILE A 76 0.472 14.394 0.959 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -0.832 13.293 -0.678 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -0.255 14.764 -1.436 1.00 0.00 H new ATOM 0 HG21 ILE A 76 1.617 15.952 -0.646 1.00 0.00 H new ATOM 0 HG22 ILE A 76 2.747 15.264 0.545 1.00 0.00 H new ATOM 0 HG23 ILE A 76 2.710 14.628 -1.116 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -0.140 12.867 -3.002 1.00 0.00 H new ATOM 0 HD12 ILE A 76 1.495 13.471 -2.643 1.00 0.00 H new ATOM 0 HD13 ILE A 76 0.909 11.978 -1.873 1.00 0.00 H new ATOM 1235 N ASP A 77 2.235 13.002 2.995 1.00 0.00 N ATOM 1236 CA ASP A 77 3.146 13.236 4.124 1.00 0.00 C ATOM 1237 C ASP A 77 4.282 12.215 4.154 1.00 0.00 C ATOM 1238 O ASP A 77 5.400 12.525 4.574 1.00 0.00 O ATOM 1239 CB ASP A 77 2.399 13.206 5.462 1.00 0.00 C ATOM 1240 CG ASP A 77 3.394 13.206 6.636 1.00 0.00 C ATOM 1241 OD1 ASP A 77 3.849 14.301 7.043 1.00 0.00 O ATOM 1242 OD2 ASP A 77 3.763 12.136 7.167 1.00 0.00 O ATOM 0 H ASP A 77 1.257 12.887 3.260 1.00 0.00 H new ATOM 0 HA ASP A 77 3.572 14.229 3.978 1.00 0.00 H new ATOM 0 HB2 ASP A 77 1.740 14.071 5.536 1.00 0.00 H new ATOM 0 HB3 ASP A 77 1.768 12.319 5.513 1.00 0.00 H new ATOM 1247 N LEU A 78 4.001 10.997 3.691 1.00 0.00 N ATOM 1248 CA LEU A 78 4.960 9.918 3.712 1.00 0.00 C ATOM 1249 C LEU A 78 6.100 10.168 2.730 1.00 0.00 C ATOM 1250 O LEU A 78 7.191 9.648 2.971 1.00 0.00 O ATOM 1251 CB LEU A 78 4.286 8.569 3.406 1.00 0.00 C ATOM 1252 CG LEU A 78 3.085 8.229 4.304 1.00 0.00 C ATOM 1253 CD1 LEU A 78 2.425 6.953 3.794 1.00 0.00 C ATOM 1254 CD2 LEU A 78 3.454 8.052 5.777 1.00 0.00 C ATOM 0 H LEU A 78 3.098 10.741 3.292 1.00 0.00 H new ATOM 0 HA LEU A 78 5.377 9.877 4.718 1.00 0.00 H new ATOM 0 HB2 LEU A 78 3.956 8.571 2.367 1.00 0.00 H new ATOM 0 HB3 LEU A 78 5.029 7.778 3.502 1.00 0.00 H new ATOM 0 HG LEU A 78 2.402 9.077 4.252 1.00 0.00 H new ATOM 0 HD11 LEU A 78 1.572 6.706 4.427 1.00 0.00 H new ATOM 0 HD12 LEU A 78 2.085 7.104 2.769 1.00 0.00 H new ATOM 0 HD13 LEU A 78 3.145 6.135 3.821 1.00 0.00 H new ATOM 0 HD21 LEU A 78 2.558 7.814 6.350 1.00 0.00 H new ATOM 0 HD22 LEU A 78 4.175 7.241 5.877 1.00 0.00 H new ATOM 0 HD23 LEU A 78 3.892 8.975 6.156 1.00 0.00 H new ATOM 1266 N LEU A 79 5.852 10.889 1.629 1.00 0.00 N ATOM 1267 CA LEU A 79 6.820 11.200 0.592 1.00 0.00 C ATOM 1268 C LEU A 79 7.789 12.232 1.150 1.00 0.00 C ATOM 1269 O LEU A 79 8.858 11.871 1.638 1.00 0.00 O ATOM 1270 CB LEU A 79 6.126 11.747 -0.674 1.00 0.00 C ATOM 1271 CG LEU A 79 5.344 10.767 -1.548 1.00 0.00 C ATOM 1272 CD1 LEU A 79 6.262 9.795 -2.267 1.00 0.00 C ATOM 1273 CD2 LEU A 79 4.253 9.968 -0.848 1.00 0.00 C ATOM 0 H LEU A 79 4.931 11.283 1.437 1.00 0.00 H new ATOM 0 HA LEU A 79 7.351 10.293 0.303 1.00 0.00 H new ATOM 0 HB2 LEU A 79 5.441 12.536 -0.364 1.00 0.00 H new ATOM 0 HB3 LEU A 79 6.889 12.213 -1.297 1.00 0.00 H new ATOM 0 HG LEU A 79 4.839 11.428 -2.252 1.00 0.00 H new ATOM 0 HD11 LEU A 79 5.667 9.116 -2.877 1.00 0.00 H new ATOM 0 HD12 LEU A 79 6.950 10.349 -2.906 1.00 0.00 H new ATOM 0 HD13 LEU A 79 6.830 9.221 -1.535 1.00 0.00 H new ATOM 0 HD21 LEU A 79 3.768 9.308 -1.567 1.00 0.00 H new ATOM 0 HD22 LEU A 79 4.694 9.373 -0.049 1.00 0.00 H new ATOM 0 HD23 LEU A 79 3.515 10.651 -0.427 1.00 0.00 H new ATOM 1285 N GLU A 80 7.390 13.504 1.072 1.00 0.00 N ATOM 1286 CA GLU A 80 8.068 14.702 1.542 1.00 0.00 C ATOM 1287 C GLU A 80 9.588 14.559 1.389 1.00 0.00 C ATOM 1288 O GLU A 80 10.329 14.553 2.378 1.00 0.00 O ATOM 1289 CB GLU A 80 7.582 15.004 2.968 1.00 0.00 C ATOM 1290 CG GLU A 80 6.077 15.332 3.014 1.00 0.00 C ATOM 1291 CD GLU A 80 5.770 16.799 2.720 1.00 0.00 C ATOM 1292 OE1 GLU A 80 6.186 17.658 3.530 1.00 0.00 O ATOM 1293 OE2 GLU A 80 5.088 17.116 1.720 1.00 0.00 O ATOM 0 H GLU A 80 6.498 13.737 0.635 1.00 0.00 H new ATOM 0 HA GLU A 80 7.817 15.570 0.933 1.00 0.00 H new ATOM 0 HB2 GLU A 80 7.785 14.145 3.608 1.00 0.00 H new ATOM 0 HB3 GLU A 80 8.147 15.844 3.372 1.00 0.00 H new ATOM 0 HG2 GLU A 80 5.553 14.706 2.291 1.00 0.00 H new ATOM 0 HG3 GLU A 80 5.686 15.076 3.999 1.00 0.00 H new ATOM 1300 N GLY A 81 10.045 14.405 0.138 1.00 0.00 N ATOM 1301 CA GLY A 81 11.459 14.344 -0.218 1.00 0.00 C ATOM 1302 C GLY A 81 12.005 12.923 -0.387 1.00 0.00 C ATOM 1303 O GLY A 81 13.227 12.757 -0.373 1.00 0.00 O ATOM 0 H GLY A 81 9.425 14.318 -0.667 1.00 0.00 H new ATOM 0 HA2 GLY A 81 11.612 14.892 -1.148 1.00 0.00 H new ATOM 0 HA3 GLY A 81 12.038 14.854 0.552 1.00 0.00 H new ATOM 1307 N GLU A 82 11.146 11.915 -0.563 1.00 0.00 N ATOM 1308 CA GLU A 82 11.508 10.543 -0.900 1.00 0.00 C ATOM 1309 C GLU A 82 10.810 10.124 -2.189 1.00 0.00 C ATOM 1310 O GLU A 82 9.661 10.506 -2.405 1.00 0.00 O ATOM 1311 CB GLU A 82 11.089 9.579 0.212 1.00 0.00 C ATOM 1312 CG GLU A 82 12.056 9.539 1.397 1.00 0.00 C ATOM 1313 CD GLU A 82 12.274 8.092 1.846 1.00 0.00 C ATOM 1314 OE1 GLU A 82 12.965 7.319 1.128 1.00 0.00 O ATOM 1315 OE2 GLU A 82 11.698 7.682 2.873 1.00 0.00 O ATOM 0 H GLU A 82 10.138 12.042 -0.470 1.00 0.00 H new ATOM 0 HA GLU A 82 12.590 10.503 -1.024 1.00 0.00 H new ATOM 0 HB2 GLU A 82 10.100 9.864 0.572 1.00 0.00 H new ATOM 0 HB3 GLU A 82 11.000 8.576 -0.205 1.00 0.00 H new ATOM 0 HG2 GLU A 82 13.008 9.988 1.115 1.00 0.00 H new ATOM 0 HG3 GLU A 82 11.657 10.128 2.223 1.00 0.00 H new ATOM 1322 N GLU A 83 11.467 9.305 -3.019 1.00 0.00 N ATOM 1323 CA GLU A 83 10.990 8.949 -4.358 1.00 0.00 C ATOM 1324 C GLU A 83 11.454 7.559 -4.790 1.00 0.00 C ATOM 1325 O GLU A 83 12.053 7.383 -5.855 1.00 0.00 O ATOM 1326 CB GLU A 83 11.323 10.079 -5.362 1.00 0.00 C ATOM 1327 CG GLU A 83 10.063 10.905 -5.646 1.00 0.00 C ATOM 1328 CD GLU A 83 10.329 12.123 -6.529 1.00 0.00 C ATOM 1329 OE1 GLU A 83 11.237 12.915 -6.198 1.00 0.00 O ATOM 1330 OE2 GLU A 83 9.598 12.317 -7.529 1.00 0.00 O ATOM 0 H GLU A 83 12.355 8.866 -2.775 1.00 0.00 H new ATOM 0 HA GLU A 83 9.903 8.868 -4.335 1.00 0.00 H new ATOM 0 HB2 GLU A 83 12.106 10.720 -4.957 1.00 0.00 H new ATOM 0 HB3 GLU A 83 11.707 9.654 -6.289 1.00 0.00 H new ATOM 0 HG2 GLU A 83 9.321 10.269 -6.129 1.00 0.00 H new ATOM 0 HG3 GLU A 83 9.633 11.236 -4.701 1.00 0.00 H new ATOM 1337 N LYS A 84 11.137 6.540 -3.979 1.00 0.00 N ATOM 1338 CA LYS A 84 11.399 5.142 -4.335 1.00 0.00 C ATOM 1339 C LYS A 84 10.486 4.134 -3.634 1.00 0.00 C ATOM 1340 O LYS A 84 10.958 3.064 -3.253 1.00 0.00 O ATOM 1341 CB LYS A 84 12.906 4.865 -4.132 1.00 0.00 C ATOM 1342 CG LYS A 84 13.565 5.267 -2.796 1.00 0.00 C ATOM 1343 CD LYS A 84 13.329 4.405 -1.539 1.00 0.00 C ATOM 1344 CE LYS A 84 12.104 4.849 -0.728 1.00 0.00 C ATOM 1345 NZ LYS A 84 11.982 4.140 0.570 1.00 0.00 N ATOM 0 H LYS A 84 10.696 6.661 -3.067 1.00 0.00 H new ATOM 0 HA LYS A 84 11.147 4.996 -5.385 1.00 0.00 H new ATOM 0 HB2 LYS A 84 13.066 3.796 -4.270 1.00 0.00 H new ATOM 0 HB3 LYS A 84 13.445 5.373 -4.931 1.00 0.00 H new ATOM 0 HG2 LYS A 84 14.641 5.311 -2.964 1.00 0.00 H new ATOM 0 HG3 LYS A 84 13.237 6.280 -2.563 1.00 0.00 H new ATOM 0 HD2 LYS A 84 13.202 3.364 -1.838 1.00 0.00 H new ATOM 0 HD3 LYS A 84 14.214 4.449 -0.904 1.00 0.00 H new ATOM 0 HE2 LYS A 84 12.165 5.922 -0.546 1.00 0.00 H new ATOM 0 HE3 LYS A 84 11.203 4.676 -1.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 11.138 4.480 1.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 11.895 3.118 0.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 12.827 4.325 1.147 1.00 0.00 H new ATOM 1359 N PHE A 85 9.197 4.446 -3.457 1.00 0.00 N ATOM 1360 CA PHE A 85 8.247 3.524 -2.828 1.00 0.00 C ATOM 1361 C PHE A 85 6.790 3.836 -3.163 1.00 0.00 C ATOM 1362 O PHE A 85 5.893 3.613 -2.357 1.00 0.00 O ATOM 1363 CB PHE A 85 8.441 3.607 -1.302 1.00 0.00 C ATOM 1364 CG PHE A 85 7.990 4.904 -0.637 1.00 0.00 C ATOM 1365 CD1 PHE A 85 8.731 6.096 -0.762 1.00 0.00 C ATOM 1366 CD2 PHE A 85 6.779 4.925 0.081 1.00 0.00 C ATOM 1367 CE1 PHE A 85 8.246 7.287 -0.198 1.00 0.00 C ATOM 1368 CE2 PHE A 85 6.293 6.114 0.641 1.00 0.00 C ATOM 1369 CZ PHE A 85 7.032 7.295 0.506 1.00 0.00 C ATOM 0 H PHE A 85 8.787 5.335 -3.743 1.00 0.00 H new ATOM 0 HA PHE A 85 8.450 2.525 -3.213 1.00 0.00 H new ATOM 0 HB2 PHE A 85 7.900 2.780 -0.842 1.00 0.00 H new ATOM 0 HB3 PHE A 85 9.498 3.458 -1.082 1.00 0.00 H new ATOM 0 HD1 PHE A 85 9.672 6.094 -1.292 1.00 0.00 H new ATOM 0 HD2 PHE A 85 6.216 4.011 0.202 1.00 0.00 H new ATOM 0 HE1 PHE A 85 8.810 8.202 -0.307 1.00 0.00 H new ATOM 0 HE2 PHE A 85 5.354 6.119 1.174 1.00 0.00 H new ATOM 0 HZ PHE A 85 6.668 8.213 0.944 1.00 0.00 H new ATOM 1379 N ILE A 86 6.497 4.256 -4.381 1.00 0.00 N ATOM 1380 CA ILE A 86 5.306 5.057 -4.642 1.00 0.00 C ATOM 1381 C ILE A 86 4.237 4.215 -5.358 1.00 0.00 C ATOM 1382 O ILE A 86 4.410 3.014 -5.570 1.00 0.00 O ATOM 1383 CB ILE A 86 5.692 6.342 -5.410 1.00 0.00 C ATOM 1384 CG1 ILE A 86 7.168 6.804 -5.279 1.00 0.00 C ATOM 1385 CG2 ILE A 86 4.787 7.501 -4.980 1.00 0.00 C ATOM 1386 CD1 ILE A 86 7.592 7.337 -3.903 1.00 0.00 C ATOM 0 H ILE A 86 7.064 4.058 -5.206 1.00 0.00 H new ATOM 0 HA ILE A 86 4.860 5.376 -3.700 1.00 0.00 H new ATOM 0 HB ILE A 86 5.558 6.071 -6.457 1.00 0.00 H new ATOM 0 HG12 ILE A 86 7.814 5.964 -5.535 1.00 0.00 H new ATOM 0 HG13 ILE A 86 7.350 7.583 -6.019 1.00 0.00 H new ATOM 0 HG21 ILE A 86 5.066 8.402 -5.526 1.00 0.00 H new ATOM 0 HG22 ILE A 86 3.748 7.252 -5.198 1.00 0.00 H new ATOM 0 HG23 ILE A 86 4.902 7.675 -3.910 1.00 0.00 H new ATOM 0 HD11 ILE A 86 8.642 7.629 -3.933 1.00 0.00 H new ATOM 0 HD12 ILE A 86 6.982 8.203 -3.644 1.00 0.00 H new ATOM 0 HD13 ILE A 86 7.453 6.559 -3.153 1.00 0.00 H new ATOM 1398 N GLY A 87 3.156 4.840 -5.815 1.00 0.00 N ATOM 1399 CA GLY A 87 2.569 4.502 -7.095 1.00 0.00 C ATOM 1400 C GLY A 87 1.927 5.733 -7.681 1.00 0.00 C ATOM 1401 O GLY A 87 1.885 6.776 -6.989 1.00 0.00 O ATOM 0 H GLY A 87 2.672 5.584 -5.312 1.00 0.00 H new ATOM 0 HA2 GLY A 87 3.334 4.119 -7.770 1.00 0.00 H new ATOM 0 HA3 GLY A 87 1.827 3.713 -6.972 1.00 0.00 H new TER 1405 GLY A 87