USER MOD reduce.3.24.130724 H: found=0, std=0, add=720, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 713 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 48 SER OG : rot 170:sc= -0.89 USER MOD Set 1.2: A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ -117:sc= 0.0978 (180deg=0) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 18 CYS SG : rot -15:sc= -0.371 USER MOD Single : A 23 THR OG1 : rot -49:sc= 1.26 USER MOD Single : A 24 MET CE :methyl 175:sc= 0 (180deg=-0.0311) USER MOD Single : A 27 HIS : no HD1:sc= -1.92 X(o=-1.9,f=-2.3) USER MOD Single : A 32 LYS NZ :NH3+ -166:sc= -0.0851 (180deg=-0.445) USER MOD Single : A 34 GLN : amide:sc= -2.09 K(o=-2.1,f=-5.9!) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0.0294 USER MOD Single : A 44 TYR OH : rot 30:sc= 0 USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 65 HIS : no HD1:sc= -0.307 X(o=-0.31,f=-0.17) USER MOD Single : A 70 MET CE :methyl -171:sc= 0 (180deg=-0.0912) USER MOD Single : A 73 GLN : amide:sc= -0.298 K(o=-0.3,f=-4.8!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 HIS :FLIP no HD1:sc= -0.0313 F(o=-1.3,f=-0.031) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -2.954 -1.810 -0.526 1.00 24.34 N ATOM 2 CA GLY A 1 -2.283 -0.602 -0.969 1.00 54.10 C ATOM 3 C GLY A 1 -2.272 -0.466 -2.479 1.00 0.13 C ATOM 4 O GLY A 1 -2.680 -1.380 -3.194 1.00 64.50 O ATOM 0 H1 GLY A 1 -3.791 -1.556 0.037 1.00 24.34 H new ATOM 0 H2 GLY A 1 -3.249 -2.366 -1.354 1.00 24.34 H new ATOM 0 H3 GLY A 1 -2.303 -2.375 0.057 1.00 24.34 H new ATOM 0 HA2 GLY A 1 -2.778 0.266 -0.533 1.00 54.10 H new ATOM 0 HA3 GLY A 1 -1.257 -0.603 -0.600 1.00 54.10 H new ATOM 8 N ALA A 2 -1.805 0.680 -2.964 1.00 72.45 N ATOM 9 CA ALA A 2 -1.742 0.932 -4.399 1.00 32.13 C ATOM 10 C ALA A 2 -0.690 1.986 -4.725 1.00 2.20 C ATOM 11 O ALA A 2 -0.049 2.535 -3.829 1.00 63.40 O ATOM 12 CB ALA A 2 -3.105 1.365 -4.919 1.00 1.13 C ATOM 0 H ALA A 2 -1.465 1.448 -2.385 1.00 72.45 H new ATOM 0 HA ALA A 2 -1.455 0.004 -4.894 1.00 32.13 H new ATOM 0 HB1 ALA A 2 -3.043 1.550 -5.991 1.00 1.13 H new ATOM 0 HB2 ALA A 2 -3.834 0.578 -4.728 1.00 1.13 H new ATOM 0 HB3 ALA A 2 -3.415 2.278 -4.411 1.00 1.13 H new ATOM 18 N MET A 3 -0.517 2.264 -6.013 1.00 1.20 N ATOM 19 CA MET A 3 0.458 3.254 -6.457 1.00 21.34 C ATOM 20 C MET A 3 0.089 4.645 -5.952 1.00 52.11 C ATOM 21 O MET A 3 -1.043 5.096 -6.121 1.00 55.43 O ATOM 22 CB MET A 3 0.551 3.260 -7.984 1.00 3.33 C ATOM 23 CG MET A 3 0.903 1.906 -8.577 1.00 32.31 C ATOM 24 SD MET A 3 1.883 2.041 -10.084 1.00 63.30 S ATOM 25 CE MET A 3 2.572 0.390 -10.189 1.00 54.52 C ATOM 0 H MET A 3 -1.039 1.818 -6.767 1.00 1.20 H new ATOM 0 HA MET A 3 1.429 2.983 -6.043 1.00 21.34 H new ATOM 0 HB2 MET A 3 -0.402 3.591 -8.396 1.00 3.33 H new ATOM 0 HB3 MET A 3 1.302 3.988 -8.291 1.00 3.33 H new ATOM 0 HG2 MET A 3 1.456 1.324 -7.840 1.00 32.31 H new ATOM 0 HG3 MET A 3 -0.015 1.359 -8.793 1.00 32.31 H new ATOM 0 HE1 MET A 3 3.205 0.315 -11.073 1.00 54.52 H new ATOM 0 HE2 MET A 3 3.167 0.187 -9.299 1.00 54.52 H new ATOM 0 HE3 MET A 3 1.764 -0.338 -10.259 1.00 54.52 H new ATOM 35 N ALA A 4 1.051 5.320 -5.332 1.00 24.42 N ATOM 36 CA ALA A 4 0.827 6.660 -4.804 1.00 61.25 C ATOM 37 C ALA A 4 0.550 7.653 -5.928 1.00 64.33 C ATOM 38 O ALA A 4 0.351 7.263 -7.079 1.00 23.31 O ATOM 39 CB ALA A 4 2.025 7.111 -3.982 1.00 63.23 C ATOM 0 H ALA A 4 1.994 4.960 -5.183 1.00 24.42 H new ATOM 0 HA ALA A 4 -0.051 6.627 -4.158 1.00 61.25 H new ATOM 0 HB1 ALA A 4 1.844 8.113 -3.594 1.00 63.23 H new ATOM 0 HB2 ALA A 4 2.176 6.422 -3.151 1.00 63.23 H new ATOM 0 HB3 ALA A 4 2.915 7.121 -4.611 1.00 63.23 H new ATOM 45 N ARG A 5 0.539 8.937 -5.587 1.00 53.22 N ATOM 46 CA ARG A 5 0.284 9.986 -6.568 1.00 22.33 C ATOM 47 C ARG A 5 1.585 10.450 -7.217 1.00 74.22 C ATOM 48 O ARG A 5 1.601 10.846 -8.382 1.00 41.31 O ATOM 49 CB ARG A 5 -0.420 11.172 -5.906 1.00 63.03 C ATOM 50 CG ARG A 5 -1.558 10.768 -4.984 1.00 74.42 C ATOM 51 CD ARG A 5 -2.589 9.917 -5.711 1.00 4.40 C ATOM 52 NE ARG A 5 -3.947 10.186 -5.245 1.00 65.31 N ATOM 53 CZ ARG A 5 -5.036 9.729 -5.853 1.00 43.33 C ATOM 54 NH1 ARG A 5 -4.927 8.986 -6.946 1.00 22.34 N ATOM 55 NH2 ARG A 5 -6.237 10.016 -5.369 1.00 12.24 N ATOM 0 H ARG A 5 0.704 9.277 -4.639 1.00 53.22 H new ATOM 0 HA ARG A 5 -0.363 9.575 -7.343 1.00 22.33 H new ATOM 0 HB2 ARG A 5 0.311 11.746 -5.337 1.00 63.03 H new ATOM 0 HB3 ARG A 5 -0.809 11.832 -6.682 1.00 63.03 H new ATOM 0 HG2 ARG A 5 -1.160 10.213 -4.135 1.00 74.42 H new ATOM 0 HG3 ARG A 5 -2.038 11.661 -4.584 1.00 74.42 H new ATOM 0 HD2 ARG A 5 -2.528 10.110 -6.782 1.00 4.40 H new ATOM 0 HD3 ARG A 5 -2.357 8.862 -5.564 1.00 4.40 H new ATOM 0 HE ARG A 5 -4.065 10.756 -4.407 1.00 65.31 H new ATOM 0 HH11 ARG A 5 -4.005 8.764 -7.322 1.00 22.34 H new ATOM 0 HH12 ARG A 5 -5.765 8.636 -7.411 1.00 22.34 H new ATOM 0 HH21 ARG A 5 -6.325 10.588 -4.529 1.00 12.24 H new ATOM 0 HH22 ARG A 5 -7.073 9.665 -5.837 1.00 12.24 H new ATOM 69 N ALA A 6 2.672 10.398 -6.455 1.00 61.21 N ATOM 70 CA ALA A 6 3.977 10.811 -6.957 1.00 11.24 C ATOM 71 C ALA A 6 3.912 12.204 -7.573 1.00 53.32 C ATOM 72 O ALA A 6 4.620 12.501 -8.535 1.00 22.44 O ATOM 73 CB ALA A 6 4.494 9.805 -7.974 1.00 42.21 C ATOM 0 H ALA A 6 2.675 10.074 -5.488 1.00 61.21 H new ATOM 0 HA ALA A 6 4.668 10.847 -6.115 1.00 11.24 H new ATOM 0 HB1 ALA A 6 5.469 10.126 -8.340 1.00 42.21 H new ATOM 0 HB2 ALA A 6 4.588 8.827 -7.503 1.00 42.21 H new ATOM 0 HB3 ALA A 6 3.796 9.740 -8.809 1.00 42.21 H new ATOM 79 N GLU A 7 3.057 13.055 -7.014 1.00 32.22 N ATOM 80 CA GLU A 7 2.899 14.416 -7.511 1.00 41.52 C ATOM 81 C GLU A 7 4.239 15.147 -7.531 1.00 72.13 C ATOM 82 O GLU A 7 4.486 15.987 -8.395 1.00 54.34 O ATOM 83 CB GLU A 7 1.899 15.186 -6.646 1.00 51.53 C ATOM 84 CG GLU A 7 2.456 15.601 -5.295 1.00 12.13 C ATOM 85 CD GLU A 7 2.806 14.414 -4.419 1.00 34.13 C ATOM 86 OE1 GLU A 7 1.882 13.661 -4.044 1.00 10.41 O ATOM 87 OE2 GLU A 7 4.002 14.237 -4.108 1.00 10.31 O ATOM 0 H GLU A 7 2.463 12.825 -6.217 1.00 32.22 H new ATOM 0 HA GLU A 7 2.519 14.361 -8.531 1.00 41.52 H new ATOM 0 HB2 GLU A 7 1.575 16.076 -7.185 1.00 51.53 H new ATOM 0 HB3 GLU A 7 1.015 14.568 -6.491 1.00 51.53 H new ATOM 0 HG2 GLU A 7 3.346 16.212 -5.445 1.00 12.13 H new ATOM 0 HG3 GLU A 7 1.725 16.224 -4.781 1.00 12.13 H new ATOM 94 N GLU A 8 5.099 14.819 -6.572 1.00 42.42 N ATOM 95 CA GLU A 8 6.413 15.445 -6.479 1.00 51.32 C ATOM 96 C GLU A 8 7.371 14.856 -7.511 1.00 13.02 C ATOM 97 O GLU A 8 8.354 15.490 -7.895 1.00 21.12 O ATOM 98 CB GLU A 8 6.989 15.268 -5.073 1.00 34.33 C ATOM 99 CG GLU A 8 7.413 13.842 -4.764 1.00 60.33 C ATOM 100 CD GLU A 8 8.066 13.709 -3.402 1.00 73.11 C ATOM 101 OE1 GLU A 8 9.264 14.042 -3.284 1.00 15.32 O ATOM 102 OE2 GLU A 8 7.380 13.272 -2.455 1.00 34.31 O ATOM 0 H GLU A 8 4.910 14.124 -5.849 1.00 42.42 H new ATOM 0 HA GLU A 8 6.295 16.509 -6.684 1.00 51.32 H new ATOM 0 HB2 GLU A 8 7.849 15.927 -4.956 1.00 34.33 H new ATOM 0 HB3 GLU A 8 6.244 15.583 -4.342 1.00 34.33 H new ATOM 0 HG2 GLU A 8 6.541 13.190 -4.810 1.00 60.33 H new ATOM 0 HG3 GLU A 8 8.108 13.499 -5.531 1.00 60.33 H new ATOM 109 N HIS A 9 7.076 13.638 -7.955 1.00 43.32 N ATOM 110 CA HIS A 9 7.911 12.962 -8.942 1.00 54.34 C ATOM 111 C HIS A 9 7.571 13.432 -10.354 1.00 31.13 C ATOM 112 O HIS A 9 8.158 12.966 -11.331 1.00 11.40 O ATOM 113 CB HIS A 9 7.733 11.447 -8.840 1.00 12.22 C ATOM 114 CG HIS A 9 9.026 10.691 -8.843 1.00 35.12 C ATOM 115 ND1 HIS A 9 9.578 10.149 -9.984 1.00 74.41 N ATOM 116 CD2 HIS A 9 9.877 10.389 -7.835 1.00 10.12 C ATOM 117 CE1 HIS A 9 10.712 9.544 -9.678 1.00 13.53 C ATOM 118 NE2 HIS A 9 10.917 9.676 -8.380 1.00 14.25 N ATOM 0 H HIS A 9 6.266 13.100 -7.647 1.00 43.32 H new ATOM 0 HA HIS A 9 8.951 13.213 -8.735 1.00 54.34 H new ATOM 0 HB2 HIS A 9 7.188 11.214 -7.925 1.00 12.22 H new ATOM 0 HB3 HIS A 9 7.119 11.105 -9.673 1.00 12.22 H new ATOM 0 HD2 HIS A 9 9.760 10.658 -6.796 1.00 10.12 H new ATOM 0 HE1 HIS A 9 11.361 9.029 -10.371 1.00 13.53 H new ATOM 0 HE2 HIS A 9 11.717 9.308 -7.866 1.00 14.25 H new ATOM 126 N ILE A 10 6.620 14.355 -10.452 1.00 63.02 N ATOM 127 CA ILE A 10 6.203 14.887 -11.744 1.00 24.14 C ATOM 128 C ILE A 10 7.222 15.886 -12.281 1.00 42.13 C ATOM 129 O ILE A 10 7.372 16.044 -13.493 1.00 43.21 O ATOM 130 CB ILE A 10 4.827 15.573 -11.653 1.00 24.55 C ATOM 131 CG1 ILE A 10 3.798 14.620 -11.039 1.00 45.44 C ATOM 132 CG2 ILE A 10 4.374 16.036 -13.029 1.00 63.30 C ATOM 133 CD1 ILE A 10 3.563 13.373 -11.863 1.00 4.33 C ATOM 0 H ILE A 10 6.124 14.750 -9.653 1.00 63.02 H new ATOM 0 HA ILE A 10 6.133 14.040 -12.427 1.00 24.14 H new ATOM 0 HB ILE A 10 4.915 16.448 -11.008 1.00 24.55 H new ATOM 0 HG12 ILE A 10 4.132 14.330 -10.043 1.00 45.44 H new ATOM 0 HG13 ILE A 10 2.853 15.149 -10.917 1.00 45.44 H new ATOM 0 HG21 ILE A 10 3.400 16.519 -12.948 1.00 63.30 H new ATOM 0 HG22 ILE A 10 5.098 16.745 -13.431 1.00 63.30 H new ATOM 0 HG23 ILE A 10 4.299 15.177 -13.695 1.00 63.30 H new ATOM 0 HD11 ILE A 10 2.823 12.744 -11.368 1.00 4.33 H new ATOM 0 HD12 ILE A 10 3.199 13.653 -12.851 1.00 4.33 H new ATOM 0 HD13 ILE A 10 4.498 12.822 -11.964 1.00 4.33 H new ATOM 145 N TYR A 11 7.921 16.557 -11.372 1.00 61.25 N ATOM 146 CA TYR A 11 8.926 17.542 -11.755 1.00 20.40 C ATOM 147 C TYR A 11 9.979 17.698 -10.662 1.00 61.12 C ATOM 148 O TYR A 11 9.653 17.946 -9.501 1.00 60.32 O ATOM 149 CB TYR A 11 8.265 18.892 -12.039 1.00 23.41 C ATOM 150 CG TYR A 11 7.531 18.941 -13.360 1.00 24.41 C ATOM 151 CD1 TYR A 11 8.224 18.895 -14.564 1.00 10.33 C ATOM 152 CD2 TYR A 11 6.146 19.033 -13.405 1.00 11.14 C ATOM 153 CE1 TYR A 11 7.558 18.941 -15.773 1.00 71.52 C ATOM 154 CE2 TYR A 11 5.471 19.077 -14.609 1.00 44.33 C ATOM 155 CZ TYR A 11 6.182 19.031 -15.791 1.00 33.03 C ATOM 156 OH TYR A 11 5.514 19.076 -16.993 1.00 15.31 O ATOM 0 H TYR A 11 7.810 16.437 -10.365 1.00 61.25 H new ATOM 0 HA TYR A 11 9.418 17.189 -12.661 1.00 20.40 H new ATOM 0 HB2 TYR A 11 7.565 19.121 -11.235 1.00 23.41 H new ATOM 0 HB3 TYR A 11 9.028 19.670 -12.028 1.00 23.41 H new ATOM 0 HD1 TYR A 11 9.301 18.822 -14.554 1.00 10.33 H new ATOM 0 HD2 TYR A 11 5.587 19.071 -12.482 1.00 11.14 H new ATOM 0 HE1 TYR A 11 8.112 18.907 -16.700 1.00 71.52 H new ATOM 0 HE2 TYR A 11 4.393 19.147 -14.626 1.00 44.33 H new ATOM 0 HH TYR A 11 4.550 19.138 -16.829 1.00 15.31 H new ATOM 166 N ARG A 12 11.244 17.552 -11.043 1.00 71.13 N ATOM 167 CA ARG A 12 12.346 17.676 -10.097 1.00 41.01 C ATOM 168 C ARG A 12 12.494 19.118 -9.621 1.00 0.10 C ATOM 169 O ARG A 12 12.689 19.372 -8.433 1.00 5.01 O ATOM 170 CB ARG A 12 13.652 17.203 -10.738 1.00 21.20 C ATOM 171 CG ARG A 12 13.990 17.921 -12.034 1.00 0.40 C ATOM 172 CD ARG A 12 14.629 16.980 -13.043 1.00 33.31 C ATOM 173 NE ARG A 12 15.987 17.389 -13.390 1.00 51.11 N ATOM 174 CZ ARG A 12 16.818 16.643 -14.109 1.00 23.12 C ATOM 175 NH1 ARG A 12 16.432 15.455 -14.554 1.00 51.42 N ATOM 176 NH2 ARG A 12 18.039 17.084 -14.384 1.00 1.54 N ATOM 0 H ARG A 12 11.531 17.348 -12.000 1.00 71.13 H new ATOM 0 HA ARG A 12 12.124 17.048 -9.235 1.00 41.01 H new ATOM 0 HB2 ARG A 12 14.468 17.347 -10.029 1.00 21.20 H new ATOM 0 HB3 ARG A 12 13.584 16.133 -10.933 1.00 21.20 H new ATOM 0 HG2 ARG A 12 13.083 18.351 -12.460 1.00 0.40 H new ATOM 0 HG3 ARG A 12 14.668 18.748 -11.826 1.00 0.40 H new ATOM 0 HD2 ARG A 12 14.648 15.970 -12.635 1.00 33.31 H new ATOM 0 HD3 ARG A 12 14.019 16.948 -13.945 1.00 33.31 H new ATOM 0 HE ARG A 12 16.315 18.297 -13.062 1.00 51.11 H new ATOM 0 HH11 ARG A 12 15.495 15.112 -14.344 1.00 51.42 H new ATOM 0 HH12 ARG A 12 17.072 14.884 -15.106 1.00 51.42 H new ATOM 0 HH21 ARG A 12 18.340 17.997 -14.043 1.00 1.54 H new ATOM 0 HH22 ARG A 12 18.676 16.510 -14.936 1.00 1.54 H new ATOM 190 N GLU A 13 12.400 20.058 -10.557 1.00 32.42 N ATOM 191 CA GLU A 13 12.525 21.474 -10.232 1.00 33.31 C ATOM 192 C GLU A 13 11.484 21.888 -9.195 1.00 63.22 C ATOM 193 O GLU A 13 11.784 22.637 -8.265 1.00 52.32 O ATOM 194 CB GLU A 13 12.370 22.325 -11.494 1.00 70.20 C ATOM 195 CG GLU A 13 13.353 21.965 -12.595 1.00 62.12 C ATOM 196 CD GLU A 13 12.983 22.579 -13.931 1.00 41.03 C ATOM 197 OE1 GLU A 13 13.418 23.719 -14.200 1.00 74.34 O ATOM 198 OE2 GLU A 13 12.259 21.921 -14.707 1.00 64.13 O ATOM 0 H GLU A 13 12.238 19.864 -11.545 1.00 32.42 H new ATOM 0 HA GLU A 13 13.517 21.638 -9.811 1.00 33.31 H new ATOM 0 HB2 GLU A 13 11.355 22.214 -11.874 1.00 70.20 H new ATOM 0 HB3 GLU A 13 12.499 23.375 -11.232 1.00 70.20 H new ATOM 0 HG2 GLU A 13 14.351 22.299 -12.310 1.00 62.12 H new ATOM 0 HG3 GLU A 13 13.397 20.881 -12.697 1.00 62.12 H new ATOM 205 N ILE A 14 10.262 21.395 -9.363 1.00 52.11 N ATOM 206 CA ILE A 14 9.177 21.713 -8.442 1.00 45.25 C ATOM 207 C ILE A 14 9.554 21.362 -7.007 1.00 43.31 C ATOM 208 O ILE A 14 8.986 21.899 -6.057 1.00 3.43 O ATOM 209 CB ILE A 14 7.883 20.968 -8.818 1.00 41.13 C ATOM 210 CG1 ILE A 14 7.361 21.458 -10.171 1.00 22.13 C ATOM 211 CG2 ILE A 14 6.829 21.158 -7.737 1.00 45.44 C ATOM 212 CD1 ILE A 14 7.135 22.952 -10.226 1.00 11.53 C ATOM 0 H ILE A 14 9.998 20.774 -10.128 1.00 52.11 H new ATOM 0 HA ILE A 14 9.003 22.786 -8.517 1.00 45.25 H new ATOM 0 HB ILE A 14 8.104 19.904 -8.899 1.00 41.13 H new ATOM 0 HG12 ILE A 14 8.071 21.177 -10.949 1.00 22.13 H new ATOM 0 HG13 ILE A 14 6.424 20.948 -10.396 1.00 22.13 H new ATOM 0 HG21 ILE A 14 5.920 20.625 -8.017 1.00 45.44 H new ATOM 0 HG22 ILE A 14 7.203 20.765 -6.791 1.00 45.44 H new ATOM 0 HG23 ILE A 14 6.608 22.220 -7.627 1.00 45.44 H new ATOM 0 HD11 ILE A 14 6.765 23.228 -11.214 1.00 11.53 H new ATOM 0 HD12 ILE A 14 6.402 23.237 -9.471 1.00 11.53 H new ATOM 0 HD13 ILE A 14 8.075 23.469 -10.033 1.00 11.53 H new ATOM 224 N MET A 15 10.517 20.459 -6.858 1.00 63.40 N ATOM 225 CA MET A 15 10.972 20.038 -5.538 1.00 5.21 C ATOM 226 C MET A 15 11.234 21.246 -4.643 1.00 65.52 C ATOM 227 O MET A 15 11.080 21.171 -3.425 1.00 24.33 O ATOM 228 CB MET A 15 12.242 19.193 -5.658 1.00 32.41 C ATOM 229 CG MET A 15 12.701 18.595 -4.338 1.00 0.12 C ATOM 230 SD MET A 15 11.887 17.031 -3.963 1.00 32.40 S ATOM 231 CE MET A 15 13.227 15.876 -4.244 1.00 73.30 C ATOM 0 H MET A 15 10.997 20.005 -7.635 1.00 63.40 H new ATOM 0 HA MET A 15 10.185 19.435 -5.085 1.00 5.21 H new ATOM 0 HB2 MET A 15 12.067 18.387 -6.371 1.00 32.41 H new ATOM 0 HB3 MET A 15 13.042 19.811 -6.066 1.00 32.41 H new ATOM 0 HG2 MET A 15 13.780 18.440 -4.369 1.00 0.12 H new ATOM 0 HG3 MET A 15 12.504 19.304 -3.534 1.00 0.12 H new ATOM 0 HE1 MET A 15 12.879 14.861 -4.052 1.00 73.30 H new ATOM 0 HE2 MET A 15 13.565 15.955 -5.277 1.00 73.30 H new ATOM 0 HE3 MET A 15 14.054 16.108 -3.573 1.00 73.30 H new ATOM 241 N GLU A 16 11.631 22.356 -5.257 1.00 2.24 N ATOM 242 CA GLU A 16 11.915 23.578 -4.514 1.00 4.43 C ATOM 243 C GLU A 16 10.711 23.998 -3.675 1.00 42.05 C ATOM 244 O GLU A 16 10.832 24.245 -2.475 1.00 11.12 O ATOM 245 CB GLU A 16 12.301 24.707 -5.473 1.00 30.52 C ATOM 246 CG GLU A 16 13.644 24.496 -6.151 1.00 4.52 C ATOM 247 CD GLU A 16 14.737 24.110 -5.173 1.00 61.42 C ATOM 248 OE1 GLU A 16 15.200 24.993 -4.422 1.00 11.24 O ATOM 249 OE2 GLU A 16 15.130 22.924 -5.160 1.00 15.33 O ATOM 0 H GLU A 16 11.763 22.434 -6.265 1.00 2.24 H new ATOM 0 HA GLU A 16 12.751 23.378 -3.844 1.00 4.43 H new ATOM 0 HB2 GLU A 16 11.529 24.804 -6.237 1.00 30.52 H new ATOM 0 HB3 GLU A 16 12.325 25.648 -4.923 1.00 30.52 H new ATOM 0 HG2 GLU A 16 13.547 23.717 -6.907 1.00 4.52 H new ATOM 0 HG3 GLU A 16 13.932 25.410 -6.670 1.00 4.52 H new ATOM 256 N LEU A 17 9.550 24.077 -4.317 1.00 24.05 N ATOM 257 CA LEU A 17 8.323 24.467 -3.631 1.00 40.14 C ATOM 258 C LEU A 17 7.689 23.272 -2.927 1.00 21.01 C ATOM 259 O LEU A 17 7.361 23.340 -1.742 1.00 33.12 O ATOM 260 CB LEU A 17 7.331 25.073 -4.626 1.00 31.51 C ATOM 261 CG LEU A 17 6.251 25.977 -4.030 1.00 72.55 C ATOM 262 CD1 LEU A 17 6.527 27.433 -4.370 1.00 1.02 C ATOM 263 CD2 LEU A 17 4.874 25.563 -4.530 1.00 22.44 C ATOM 0 H LEU A 17 9.433 23.876 -5.310 1.00 24.05 H new ATOM 0 HA LEU A 17 8.577 25.214 -2.879 1.00 40.14 H new ATOM 0 HB2 LEU A 17 7.892 25.648 -5.363 1.00 31.51 H new ATOM 0 HB3 LEU A 17 6.841 24.260 -5.161 1.00 31.51 H new ATOM 0 HG LEU A 17 6.270 25.868 -2.946 1.00 72.55 H new ATOM 0 HD11 LEU A 17 5.748 28.061 -3.938 1.00 1.02 H new ATOM 0 HD12 LEU A 17 7.496 27.724 -3.964 1.00 1.02 H new ATOM 0 HD13 LEU A 17 6.535 27.559 -5.453 1.00 1.02 H new ATOM 0 HD21 LEU A 17 4.118 26.217 -4.096 1.00 22.44 H new ATOM 0 HD22 LEU A 17 4.842 25.643 -5.617 1.00 22.44 H new ATOM 0 HD23 LEU A 17 4.675 24.532 -4.236 1.00 22.44 H new ATOM 275 N CYS A 18 7.522 22.179 -3.663 1.00 22.35 N ATOM 276 CA CYS A 18 6.929 20.967 -3.108 1.00 11.12 C ATOM 277 C CYS A 18 7.568 20.613 -1.769 1.00 33.31 C ATOM 278 O CYS A 18 6.904 20.096 -0.870 1.00 10.02 O ATOM 279 CB CYS A 18 7.087 19.802 -4.086 1.00 45.54 C ATOM 280 SG CYS A 18 6.548 18.207 -3.429 1.00 13.02 S ATOM 0 H CYS A 18 7.789 22.107 -4.645 1.00 22.35 H new ATOM 0 HA CYS A 18 5.867 21.154 -2.946 1.00 11.12 H new ATOM 0 HB2 CYS A 18 6.519 20.021 -4.990 1.00 45.54 H new ATOM 0 HB3 CYS A 18 8.134 19.727 -4.378 1.00 45.54 H new ATOM 0 HG CYS A 18 6.421 18.290 -2.138 1.00 13.02 H new ATOM 286 N PHE A 19 8.861 20.892 -1.644 1.00 12.43 N ATOM 287 CA PHE A 19 9.591 20.601 -0.415 1.00 74.13 C ATOM 288 C PHE A 19 8.940 21.290 0.781 1.00 71.15 C ATOM 289 O PHE A 19 8.783 20.693 1.846 1.00 60.13 O ATOM 290 CB PHE A 19 11.048 21.048 -0.545 1.00 22.22 C ATOM 291 CG PHE A 19 11.821 20.953 0.740 1.00 74.11 C ATOM 292 CD1 PHE A 19 11.750 19.812 1.523 1.00 3.33 C ATOM 293 CD2 PHE A 19 12.617 22.005 1.164 1.00 34.43 C ATOM 294 CE1 PHE A 19 12.460 19.722 2.706 1.00 61.51 C ATOM 295 CE2 PHE A 19 13.329 21.919 2.346 1.00 50.44 C ATOM 296 CZ PHE A 19 13.250 20.777 3.118 1.00 53.10 C ATOM 0 H PHE A 19 9.425 21.319 -2.378 1.00 12.43 H new ATOM 0 HA PHE A 19 9.562 19.524 -0.251 1.00 74.13 H new ATOM 0 HB2 PHE A 19 11.541 20.438 -1.302 1.00 22.22 H new ATOM 0 HB3 PHE A 19 11.073 22.078 -0.900 1.00 22.22 H new ATOM 0 HD1 PHE A 19 11.133 18.984 1.206 1.00 3.33 H new ATOM 0 HD2 PHE A 19 12.682 22.901 0.565 1.00 34.43 H new ATOM 0 HE1 PHE A 19 12.397 18.827 3.307 1.00 61.51 H new ATOM 0 HE2 PHE A 19 13.947 22.745 2.665 1.00 50.44 H new ATOM 0 HZ PHE A 19 13.805 20.709 4.042 1.00 53.10 H new ATOM 306 N VAL A 20 8.563 22.551 0.596 1.00 3.43 N ATOM 307 CA VAL A 20 7.929 23.323 1.659 1.00 61.24 C ATOM 308 C VAL A 20 6.474 22.909 1.844 1.00 14.13 C ATOM 309 O VAL A 20 5.988 22.799 2.971 1.00 61.44 O ATOM 310 CB VAL A 20 7.989 24.834 1.367 1.00 13.00 C ATOM 311 CG1 VAL A 20 7.143 25.605 2.369 1.00 51.10 C ATOM 312 CG2 VAL A 20 9.429 25.323 1.384 1.00 10.25 C ATOM 0 H VAL A 20 8.685 23.060 -0.279 1.00 3.43 H new ATOM 0 HA VAL A 20 8.482 23.116 2.575 1.00 61.24 H new ATOM 0 HB VAL A 20 7.582 25.011 0.372 1.00 13.00 H new ATOM 0 HG11 VAL A 20 7.197 26.671 2.147 1.00 51.10 H new ATOM 0 HG12 VAL A 20 6.107 25.273 2.302 1.00 51.10 H new ATOM 0 HG13 VAL A 20 7.518 25.425 3.377 1.00 51.10 H new ATOM 0 HG21 VAL A 20 9.452 26.393 1.176 1.00 10.25 H new ATOM 0 HG22 VAL A 20 9.866 25.135 2.365 1.00 10.25 H new ATOM 0 HG23 VAL A 20 10.002 24.793 0.624 1.00 10.25 H new ATOM 322 N ILE A 21 5.783 22.681 0.733 1.00 54.35 N ATOM 323 CA ILE A 21 4.382 22.278 0.773 1.00 45.00 C ATOM 324 C ILE A 21 4.220 20.923 1.453 1.00 62.21 C ATOM 325 O ILE A 21 3.223 20.672 2.130 1.00 1.11 O ATOM 326 CB ILE A 21 3.776 22.206 -0.641 1.00 2.31 C ATOM 327 CG1 ILE A 21 4.077 23.492 -1.414 1.00 73.12 C ATOM 328 CG2 ILE A 21 2.276 21.968 -0.562 1.00 73.53 C ATOM 329 CD1 ILE A 21 3.670 24.749 -0.678 1.00 3.14 C ATOM 0 H ILE A 21 6.170 22.768 -0.207 1.00 54.35 H new ATOM 0 HA ILE A 21 3.851 23.037 1.348 1.00 45.00 H new ATOM 0 HB ILE A 21 4.229 21.370 -1.173 1.00 2.31 H new ATOM 0 HG12 ILE A 21 5.145 23.536 -1.628 1.00 73.12 H new ATOM 0 HG13 ILE A 21 3.560 23.459 -2.373 1.00 73.12 H new ATOM 0 HG21 ILE A 21 1.862 21.919 -1.569 1.00 73.53 H new ATOM 0 HG22 ILE A 21 2.083 21.028 -0.045 1.00 73.53 H new ATOM 0 HG23 ILE A 21 1.806 22.786 -0.015 1.00 73.53 H new ATOM 0 HD11 ILE A 21 3.913 25.621 -1.285 1.00 3.14 H new ATOM 0 HD12 ILE A 21 2.597 24.728 -0.487 1.00 3.14 H new ATOM 0 HD13 ILE A 21 4.206 24.806 0.269 1.00 3.14 H new ATOM 341 N ARG A 22 5.208 20.053 1.269 1.00 73.40 N ATOM 342 CA ARG A 22 5.175 18.723 1.865 1.00 20.41 C ATOM 343 C ARG A 22 5.276 18.806 3.385 1.00 35.44 C ATOM 344 O ARG A 22 4.851 17.895 4.098 1.00 51.22 O ATOM 345 CB ARG A 22 6.316 17.865 1.314 1.00 52.20 C ATOM 346 CG ARG A 22 6.514 16.559 2.065 1.00 32.15 C ATOM 347 CD ARG A 22 7.589 15.701 1.417 1.00 21.13 C ATOM 348 NE ARG A 22 8.926 16.254 1.618 1.00 13.21 N ATOM 349 CZ ARG A 22 10.044 15.600 1.323 1.00 13.31 C ATOM 350 NH1 ARG A 22 9.986 14.376 0.817 1.00 52.45 N ATOM 351 NH2 ARG A 22 11.223 16.171 1.534 1.00 31.13 N ATOM 0 H ARG A 22 6.041 20.245 0.712 1.00 73.40 H new ATOM 0 HA ARG A 22 4.223 18.260 1.606 1.00 20.41 H new ATOM 0 HB2 ARG A 22 6.119 17.645 0.265 1.00 52.20 H new ATOM 0 HB3 ARG A 22 7.242 18.439 1.351 1.00 52.20 H new ATOM 0 HG2 ARG A 22 6.789 16.770 3.098 1.00 32.15 H new ATOM 0 HG3 ARG A 22 5.574 16.008 2.092 1.00 32.15 H new ATOM 0 HD2 ARG A 22 7.547 14.694 1.831 1.00 21.13 H new ATOM 0 HD3 ARG A 22 7.389 15.615 0.349 1.00 21.13 H new ATOM 0 HE ARG A 22 9.006 17.194 2.006 1.00 13.21 H new ATOM 0 HH11 ARG A 22 9.081 13.934 0.653 1.00 52.45 H new ATOM 0 HH12 ARG A 22 10.846 13.876 0.591 1.00 52.45 H new ATOM 0 HH21 ARG A 22 11.271 17.113 1.923 1.00 31.13 H new ATOM 0 HH22 ARG A 22 12.081 15.668 1.307 1.00 31.13 H new ATOM 365 N THR A 23 5.841 19.904 3.877 1.00 20.10 N ATOM 366 CA THR A 23 5.999 20.105 5.312 1.00 41.53 C ATOM 367 C THR A 23 4.693 20.565 5.950 1.00 61.34 C ATOM 368 O THR A 23 4.446 20.315 7.129 1.00 22.11 O ATOM 369 CB THR A 23 7.098 21.141 5.616 1.00 52.43 C ATOM 370 OG1 THR A 23 6.576 22.467 5.466 1.00 24.32 O ATOM 371 CG2 THR A 23 8.290 20.953 4.690 1.00 24.22 C ATOM 0 H THR A 23 6.197 20.668 3.303 1.00 20.10 H new ATOM 0 HA THR A 23 6.288 19.143 5.736 1.00 41.53 H new ATOM 0 HB THR A 23 7.430 20.995 6.644 1.00 52.43 H new ATOM 0 HG1 THR A 23 6.100 22.536 4.612 1.00 24.32 H new ATOM 0 HG21 THR A 23 9.053 21.696 4.924 1.00 24.22 H new ATOM 0 HG22 THR A 23 8.703 19.953 4.827 1.00 24.22 H new ATOM 0 HG23 THR A 23 7.970 21.075 3.655 1.00 24.22 H new ATOM 379 N MET A 24 3.860 21.237 5.162 1.00 34.23 N ATOM 380 CA MET A 24 2.577 21.729 5.651 1.00 11.12 C ATOM 381 C MET A 24 1.501 20.654 5.533 1.00 2.04 C ATOM 382 O MET A 24 0.764 20.394 6.484 1.00 62.42 O ATOM 383 CB MET A 24 2.155 22.977 4.873 1.00 71.34 C ATOM 384 CG MET A 24 2.964 24.215 5.223 1.00 24.43 C ATOM 385 SD MET A 24 1.997 25.448 6.115 1.00 72.43 S ATOM 386 CE MET A 24 2.283 24.942 7.809 1.00 1.41 C ATOM 0 H MET A 24 4.050 21.453 4.183 1.00 34.23 H new ATOM 0 HA MET A 24 2.693 21.988 6.704 1.00 11.12 H new ATOM 0 HB2 MET A 24 2.252 22.780 3.805 1.00 71.34 H new ATOM 0 HB3 MET A 24 1.101 23.176 5.066 1.00 71.34 H new ATOM 0 HG2 MET A 24 3.822 23.924 5.829 1.00 24.43 H new ATOM 0 HG3 MET A 24 3.356 24.659 4.308 1.00 24.43 H new ATOM 0 HE1 MET A 24 1.822 25.661 8.486 1.00 1.41 H new ATOM 0 HE2 MET A 24 1.846 23.957 7.973 1.00 1.41 H new ATOM 0 HE3 MET A 24 3.355 24.899 8.000 1.00 1.41 H new ATOM 396 N ALA A 25 1.417 20.033 4.361 1.00 0.42 N ATOM 397 CA ALA A 25 0.433 18.986 4.121 1.00 73.45 C ATOM 398 C ALA A 25 1.057 17.602 4.266 1.00 70.04 C ATOM 399 O ALA A 25 2.272 17.443 4.147 1.00 1.54 O ATOM 400 CB ALA A 25 -0.183 19.147 2.738 1.00 25.13 C ATOM 0 H ALA A 25 2.019 20.237 3.563 1.00 0.42 H new ATOM 0 HA ALA A 25 -0.353 19.082 4.870 1.00 73.45 H new ATOM 0 HB1 ALA A 25 -0.916 18.358 2.572 1.00 25.13 H new ATOM 0 HB2 ALA A 25 -0.673 20.118 2.669 1.00 25.13 H new ATOM 0 HB3 ALA A 25 0.599 19.080 1.981 1.00 25.13 H new ATOM 406 N ARG A 26 0.218 16.604 4.523 1.00 64.40 N ATOM 407 CA ARG A 26 0.689 15.233 4.686 1.00 1.42 C ATOM 408 C ARG A 26 0.425 14.414 3.426 1.00 3.21 C ATOM 409 O ARG A 26 -0.364 13.469 3.441 1.00 11.12 O ATOM 410 CB ARG A 26 0.006 14.576 5.887 1.00 54.42 C ATOM 411 CG ARG A 26 0.691 14.867 7.212 1.00 64.51 C ATOM 412 CD ARG A 26 -0.308 14.921 8.356 1.00 15.33 C ATOM 413 NE ARG A 26 0.321 14.655 9.647 1.00 45.23 N ATOM 414 CZ ARG A 26 -0.252 14.924 10.814 1.00 14.21 C ATOM 415 NH1 ARG A 26 -1.463 15.464 10.853 1.00 70.42 N ATOM 416 NH2 ARG A 26 0.385 14.653 11.946 1.00 14.11 N ATOM 0 H ARG A 26 -0.791 16.718 4.623 1.00 64.40 H new ATOM 0 HA ARG A 26 1.765 15.263 4.860 1.00 1.42 H new ATOM 0 HB2 ARG A 26 -1.027 14.919 5.939 1.00 54.42 H new ATOM 0 HB3 ARG A 26 -0.024 13.497 5.732 1.00 54.42 H new ATOM 0 HG2 ARG A 26 1.436 14.097 7.414 1.00 64.51 H new ATOM 0 HG3 ARG A 26 1.223 15.816 7.147 1.00 64.51 H new ATOM 0 HD2 ARG A 26 -0.780 15.903 8.379 1.00 15.33 H new ATOM 0 HD3 ARG A 26 -1.099 14.191 8.181 1.00 15.33 H new ATOM 0 HE ARG A 26 1.252 14.239 9.652 1.00 45.23 H new ATOM 0 HH11 ARG A 26 -1.956 15.674 9.985 1.00 70.42 H new ATOM 0 HH12 ARG A 26 -1.901 15.670 11.751 1.00 70.42 H new ATOM 0 HH21 ARG A 26 1.316 14.237 11.920 1.00 14.11 H new ATOM 0 HH22 ARG A 26 -0.056 14.860 12.842 1.00 14.11 H new ATOM 430 N HIS A 27 1.091 14.783 2.336 1.00 12.52 N ATOM 431 CA HIS A 27 0.928 14.083 1.067 1.00 24.12 C ATOM 432 C HIS A 27 1.164 12.585 1.239 1.00 5.53 C ATOM 433 O HIS A 27 0.674 11.776 0.452 1.00 25.40 O ATOM 434 CB HIS A 27 1.892 14.646 0.023 1.00 41.35 C ATOM 435 CG HIS A 27 3.292 14.131 0.159 1.00 73.30 C ATOM 436 ND1 HIS A 27 3.977 14.123 1.355 1.00 24.53 N ATOM 437 CD2 HIS A 27 4.134 13.602 -0.759 1.00 51.13 C ATOM 438 CE1 HIS A 27 5.181 13.613 1.167 1.00 64.24 C ATOM 439 NE2 HIS A 27 5.301 13.288 -0.108 1.00 45.52 N ATOM 0 H HIS A 27 1.748 15.562 2.306 1.00 12.52 H new ATOM 0 HA HIS A 27 -0.096 14.235 0.725 1.00 24.12 H new ATOM 0 HB2 HIS A 27 1.519 14.402 -0.972 1.00 41.35 H new ATOM 0 HB3 HIS A 27 1.905 15.733 0.101 1.00 41.35 H new ATOM 0 HD2 HIS A 27 3.926 13.454 -1.809 1.00 51.13 H new ATOM 0 HE1 HIS A 27 5.938 13.484 1.926 1.00 64.24 H new ATOM 0 HE2 HIS A 27 6.127 12.872 -0.539 1.00 45.52 H new ATOM 447 N ARG A 28 1.918 12.225 2.273 1.00 44.03 N ATOM 448 CA ARG A 28 2.221 10.825 2.546 1.00 11.43 C ATOM 449 C ARG A 28 0.950 9.980 2.526 1.00 44.52 C ATOM 450 O ARG A 28 0.950 8.855 2.027 1.00 32.23 O ATOM 451 CB ARG A 28 2.916 10.687 3.902 1.00 0.41 C ATOM 452 CG ARG A 28 4.009 9.631 3.921 1.00 1.44 C ATOM 453 CD ARG A 28 5.017 9.893 5.030 1.00 51.14 C ATOM 454 NE ARG A 28 5.788 8.698 5.361 1.00 4.22 N ATOM 455 CZ ARG A 28 5.320 7.704 6.108 1.00 54.43 C ATOM 456 NH1 ARG A 28 4.089 7.762 6.597 1.00 13.21 N ATOM 457 NH2 ARG A 28 6.082 6.650 6.366 1.00 64.25 N ATOM 0 H ARG A 28 2.330 12.883 2.935 1.00 44.03 H new ATOM 0 HA ARG A 28 2.889 10.464 1.764 1.00 11.43 H new ATOM 0 HB2 ARG A 28 3.347 11.649 4.180 1.00 0.41 H new ATOM 0 HB3 ARG A 28 2.171 10.441 4.659 1.00 0.41 H new ATOM 0 HG2 ARG A 28 3.563 8.646 4.059 1.00 1.44 H new ATOM 0 HG3 ARG A 28 4.520 9.618 2.959 1.00 1.44 H new ATOM 0 HD2 ARG A 28 5.696 10.689 4.723 1.00 51.14 H new ATOM 0 HD3 ARG A 28 4.494 10.245 5.919 1.00 51.14 H new ATOM 0 HE ARG A 28 6.738 8.622 4.999 1.00 4.22 H new ATOM 0 HH11 ARG A 28 3.500 8.571 6.400 1.00 13.21 H new ATOM 0 HH12 ARG A 28 3.731 6.998 7.170 1.00 13.21 H new ATOM 0 HH21 ARG A 28 7.029 6.601 5.991 1.00 64.25 H new ATOM 0 HH22 ARG A 28 5.721 5.888 6.940 1.00 64.25 H new ATOM 471 N ARG A 29 -0.129 10.531 3.071 1.00 12.20 N ATOM 472 CA ARG A 29 -1.405 9.828 3.117 1.00 74.21 C ATOM 473 C ARG A 29 -2.520 10.686 2.526 1.00 74.52 C ATOM 474 O ARG A 29 -3.670 10.254 2.441 1.00 53.11 O ATOM 475 CB ARG A 29 -1.750 9.446 4.558 1.00 51.24 C ATOM 476 CG ARG A 29 -1.389 8.013 4.911 1.00 21.31 C ATOM 477 CD ARG A 29 -2.623 7.199 5.267 1.00 71.32 C ATOM 478 NE ARG A 29 -2.855 7.157 6.708 1.00 3.21 N ATOM 479 CZ ARG A 29 -3.926 6.603 7.265 1.00 52.43 C ATOM 480 NH1 ARG A 29 -4.859 6.047 6.505 1.00 53.03 N ATOM 481 NH2 ARG A 29 -4.066 6.605 8.584 1.00 3.12 N ATOM 0 H ARG A 29 -0.145 11.462 3.487 1.00 12.20 H new ATOM 0 HA ARG A 29 -1.313 8.921 2.520 1.00 74.21 H new ATOM 0 HB2 ARG A 29 -1.230 10.121 5.238 1.00 51.24 H new ATOM 0 HB3 ARG A 29 -2.818 9.593 4.718 1.00 51.24 H new ATOM 0 HG2 ARG A 29 -0.876 7.548 4.069 1.00 21.31 H new ATOM 0 HG3 ARG A 29 -0.694 8.008 5.751 1.00 21.31 H new ATOM 0 HD2 ARG A 29 -3.495 7.627 4.772 1.00 71.32 H new ATOM 0 HD3 ARG A 29 -2.509 6.183 4.889 1.00 71.32 H new ATOM 0 HE ARG A 29 -2.156 7.576 7.321 1.00 3.21 H new ATOM 0 HH11 ARG A 29 -4.755 6.044 5.490 1.00 53.03 H new ATOM 0 HH12 ARG A 29 -5.681 5.622 6.935 1.00 53.03 H new ATOM 0 HH21 ARG A 29 -3.351 7.032 9.172 1.00 3.12 H new ATOM 0 HH22 ARG A 29 -4.889 6.179 9.010 1.00 3.12 H new ATOM 495 N ASP A 30 -2.172 11.901 2.120 1.00 52.44 N ATOM 496 CA ASP A 30 -3.143 12.820 1.536 1.00 30.11 C ATOM 497 C ASP A 30 -2.932 12.950 0.031 1.00 64.11 C ATOM 498 O ASP A 30 -3.400 13.902 -0.592 1.00 71.41 O ATOM 499 CB ASP A 30 -3.039 14.194 2.199 1.00 51.42 C ATOM 500 CG ASP A 30 -4.391 14.858 2.371 1.00 73.12 C ATOM 501 OD1 ASP A 30 -5.358 14.151 2.723 1.00 31.14 O ATOM 502 OD2 ASP A 30 -4.483 16.084 2.152 1.00 50.22 O ATOM 0 H ASP A 30 -1.225 12.273 2.184 1.00 52.44 H new ATOM 0 HA ASP A 30 -4.140 12.415 1.711 1.00 30.11 H new ATOM 0 HB2 ASP A 30 -2.563 14.089 3.174 1.00 51.42 H new ATOM 0 HB3 ASP A 30 -2.396 14.837 1.598 1.00 51.42 H new ATOM 507 N GLY A 31 -2.221 11.986 -0.547 1.00 51.14 N ATOM 508 CA GLY A 31 -1.959 12.012 -1.975 1.00 2.35 C ATOM 509 C GLY A 31 -1.397 13.342 -2.436 1.00 53.34 C ATOM 510 O GLY A 31 -0.218 13.632 -2.233 1.00 30.33 O ATOM 0 H GLY A 31 -1.822 11.188 -0.052 1.00 51.14 H new ATOM 0 HA2 GLY A 31 -1.257 11.217 -2.227 1.00 2.35 H new ATOM 0 HA3 GLY A 31 -2.883 11.804 -2.515 1.00 2.35 H new ATOM 514 N LYS A 32 -2.242 14.154 -3.062 1.00 55.33 N ATOM 515 CA LYS A 32 -1.825 15.461 -3.556 1.00 11.34 C ATOM 516 C LYS A 32 -1.631 16.441 -2.403 1.00 40.40 C ATOM 517 O LYS A 32 -2.254 16.306 -1.349 1.00 64.43 O ATOM 518 CB LYS A 32 -2.860 16.013 -4.539 1.00 31.50 C ATOM 519 CG LYS A 32 -3.321 14.997 -5.570 1.00 21.21 C ATOM 520 CD LYS A 32 -2.148 14.411 -6.338 1.00 72.50 C ATOM 521 CE LYS A 32 -1.406 15.481 -7.123 1.00 65.44 C ATOM 522 NZ LYS A 32 -2.332 16.312 -7.940 1.00 41.44 N ATOM 0 H LYS A 32 -3.221 13.930 -3.239 1.00 55.33 H new ATOM 0 HA LYS A 32 -0.873 15.339 -4.072 1.00 11.34 H new ATOM 0 HB2 LYS A 32 -3.725 16.370 -3.980 1.00 31.50 H new ATOM 0 HB3 LYS A 32 -2.436 16.875 -5.055 1.00 31.50 H new ATOM 0 HG2 LYS A 32 -3.869 14.196 -5.073 1.00 21.21 H new ATOM 0 HG3 LYS A 32 -4.012 15.472 -6.266 1.00 21.21 H new ATOM 0 HD2 LYS A 32 -1.462 13.927 -5.643 1.00 72.50 H new ATOM 0 HD3 LYS A 32 -2.507 13.641 -7.020 1.00 72.50 H new ATOM 0 HE2 LYS A 32 -0.856 16.121 -6.433 1.00 65.44 H new ATOM 0 HE3 LYS A 32 -0.671 15.009 -7.775 1.00 65.44 H new ATOM 0 HZ1 LYS A 32 -1.785 16.863 -8.632 1.00 41.44 H new ATOM 0 HZ2 LYS A 32 -3.002 15.694 -8.441 1.00 41.44 H new ATOM 0 HZ3 LYS A 32 -2.857 16.960 -7.318 1.00 41.44 H new ATOM 536 N ILE A 33 -0.766 17.428 -2.611 1.00 3.12 N ATOM 537 CA ILE A 33 -0.493 18.432 -1.590 1.00 23.34 C ATOM 538 C ILE A 33 -1.234 19.731 -1.884 1.00 12.31 C ATOM 539 O ILE A 33 -1.250 20.204 -3.020 1.00 3.21 O ATOM 540 CB ILE A 33 1.015 18.727 -1.480 1.00 13.53 C ATOM 541 CG1 ILE A 33 1.827 17.577 -2.078 1.00 42.54 C ATOM 542 CG2 ILE A 33 1.405 18.959 -0.027 1.00 74.24 C ATOM 543 CD1 ILE A 33 3.322 17.745 -1.916 1.00 32.11 C ATOM 0 H ILE A 33 -0.242 17.554 -3.477 1.00 3.12 H new ATOM 0 HA ILE A 33 -0.845 18.023 -0.643 1.00 23.34 H new ATOM 0 HB ILE A 33 1.235 19.633 -2.044 1.00 13.53 H new ATOM 0 HG12 ILE A 33 1.521 16.643 -1.606 1.00 42.54 H new ATOM 0 HG13 ILE A 33 1.592 17.490 -3.139 1.00 42.54 H new ATOM 0 HG21 ILE A 33 2.473 19.166 0.034 1.00 74.24 H new ATOM 0 HG22 ILE A 33 0.847 19.808 0.368 1.00 74.24 H new ATOM 0 HG23 ILE A 33 1.174 18.069 0.558 1.00 74.24 H new ATOM 0 HD11 ILE A 33 3.834 16.893 -2.363 1.00 32.11 H new ATOM 0 HD12 ILE A 33 3.641 18.662 -2.412 1.00 32.11 H new ATOM 0 HD13 ILE A 33 3.569 17.801 -0.856 1.00 32.11 H new ATOM 555 N GLN A 34 -1.846 20.304 -0.852 1.00 60.21 N ATOM 556 CA GLN A 34 -2.588 21.550 -1.000 1.00 74.14 C ATOM 557 C GLN A 34 -2.474 22.405 0.258 1.00 75.54 C ATOM 558 O GLN A 34 -2.522 21.891 1.376 1.00 53.43 O ATOM 559 CB GLN A 34 -4.060 21.259 -1.302 1.00 64.11 C ATOM 560 CG GLN A 34 -4.278 20.530 -2.618 1.00 31.21 C ATOM 561 CD GLN A 34 -4.365 19.026 -2.445 1.00 11.34 C ATOM 562 OE1 GLN A 34 -3.766 18.460 -1.530 1.00 33.50 O ATOM 563 NE2 GLN A 34 -5.113 18.371 -3.324 1.00 74.02 N ATOM 0 H GLN A 34 -1.842 19.925 0.095 1.00 60.21 H new ATOM 0 HA GLN A 34 -2.156 22.104 -1.833 1.00 74.14 H new ATOM 0 HB2 GLN A 34 -4.477 20.661 -0.492 1.00 64.11 H new ATOM 0 HB3 GLN A 34 -4.611 22.199 -1.321 1.00 64.11 H new ATOM 0 HG2 GLN A 34 -5.195 20.892 -3.082 1.00 31.21 H new ATOM 0 HG3 GLN A 34 -3.461 20.767 -3.300 1.00 31.21 H new ATOM 0 HE21 GLN A 34 -5.592 18.881 -4.066 1.00 74.02 H new ATOM 0 HE22 GLN A 34 -5.209 17.358 -3.257 1.00 74.02 H new ATOM 572 N VAL A 35 -2.323 23.711 0.068 1.00 51.44 N ATOM 573 CA VAL A 35 -2.203 24.638 1.187 1.00 21.21 C ATOM 574 C VAL A 35 -2.630 26.045 0.784 1.00 24.12 C ATOM 575 O VAL A 35 -2.432 26.463 -0.357 1.00 54.22 O ATOM 576 CB VAL A 35 -0.760 24.685 1.724 1.00 32.24 C ATOM 577 CG1 VAL A 35 -0.478 23.475 2.602 1.00 4.34 C ATOM 578 CG2 VAL A 35 0.234 24.764 0.575 1.00 35.43 C ATOM 0 H VAL A 35 -2.281 24.152 -0.851 1.00 51.44 H new ATOM 0 HA VAL A 35 -2.864 24.273 1.973 1.00 21.21 H new ATOM 0 HB VAL A 35 -0.646 25.581 2.334 1.00 32.24 H new ATOM 0 HG11 VAL A 35 0.546 23.525 2.972 1.00 4.34 H new ATOM 0 HG12 VAL A 35 -1.169 23.468 3.445 1.00 4.34 H new ATOM 0 HG13 VAL A 35 -0.609 22.564 2.018 1.00 4.34 H new ATOM 0 HG21 VAL A 35 1.248 24.796 0.973 1.00 35.43 H new ATOM 0 HG22 VAL A 35 0.123 23.888 -0.063 1.00 35.43 H new ATOM 0 HG23 VAL A 35 0.044 25.665 -0.009 1.00 35.43 H new ATOM 588 N THR A 36 -3.216 26.773 1.729 1.00 3.25 N ATOM 589 CA THR A 36 -3.671 28.134 1.474 1.00 73.33 C ATOM 590 C THR A 36 -2.517 29.125 1.559 1.00 43.42 C ATOM 591 O THR A 36 -1.516 28.873 2.231 1.00 75.22 O ATOM 592 CB THR A 36 -4.769 28.555 2.469 1.00 72.13 C ATOM 593 OG1 THR A 36 -4.447 28.084 3.782 1.00 72.31 O ATOM 594 CG2 THR A 36 -6.123 28.006 2.045 1.00 31.41 C ATOM 0 H THR A 36 -3.387 26.442 2.679 1.00 3.25 H new ATOM 0 HA THR A 36 -4.082 28.146 0.464 1.00 73.33 H new ATOM 0 HB THR A 36 -4.823 29.644 2.477 1.00 72.13 H new ATOM 0 HG1 THR A 36 -5.149 28.357 4.409 1.00 72.31 H new ATOM 0 HG21 THR A 36 -6.882 28.316 2.763 1.00 31.41 H new ATOM 0 HG22 THR A 36 -6.378 28.390 1.058 1.00 31.41 H new ATOM 0 HG23 THR A 36 -6.080 26.917 2.011 1.00 31.41 H new ATOM 602 N PHE A 37 -2.661 30.255 0.874 1.00 14.00 N ATOM 603 CA PHE A 37 -1.630 31.285 0.872 1.00 5.53 C ATOM 604 C PHE A 37 -1.223 31.651 2.297 1.00 73.20 C ATOM 605 O PHE A 37 -0.038 31.692 2.625 1.00 14.21 O ATOM 606 CB PHE A 37 -2.125 32.532 0.136 1.00 63.34 C ATOM 607 CG PHE A 37 -1.309 33.760 0.420 1.00 1.24 C ATOM 608 CD1 PHE A 37 0.075 33.712 0.387 1.00 64.11 C ATOM 609 CD2 PHE A 37 -1.926 34.963 0.722 1.00 14.43 C ATOM 610 CE1 PHE A 37 0.829 34.841 0.648 1.00 22.32 C ATOM 611 CE2 PHE A 37 -1.178 36.095 0.984 1.00 1.40 C ATOM 612 CZ PHE A 37 0.201 36.034 0.948 1.00 25.32 C ATOM 0 H PHE A 37 -3.483 30.480 0.313 1.00 14.00 H new ATOM 0 HA PHE A 37 -0.757 30.888 0.354 1.00 5.53 H new ATOM 0 HB2 PHE A 37 -2.115 32.339 -0.937 1.00 63.34 H new ATOM 0 HB3 PHE A 37 -3.161 32.722 0.416 1.00 63.34 H new ATOM 0 HD1 PHE A 37 0.571 32.781 0.155 1.00 64.11 H new ATOM 0 HD2 PHE A 37 -3.004 35.017 0.753 1.00 14.43 H new ATOM 0 HE1 PHE A 37 1.907 34.790 0.617 1.00 22.32 H new ATOM 0 HE2 PHE A 37 -1.672 37.027 1.217 1.00 1.40 H new ATOM 0 HZ PHE A 37 0.787 36.917 1.154 1.00 25.32 H new ATOM 622 N GLY A 38 -2.217 31.916 3.140 1.00 41.01 N ATOM 623 CA GLY A 38 -1.944 32.275 4.519 1.00 3.31 C ATOM 624 C GLY A 38 -1.023 31.286 5.205 1.00 64.45 C ATOM 625 O GLY A 38 -0.058 31.678 5.860 1.00 32.14 O ATOM 0 H GLY A 38 -3.206 31.888 2.892 1.00 41.01 H new ATOM 0 HA2 GLY A 38 -1.494 33.267 4.550 1.00 3.31 H new ATOM 0 HA3 GLY A 38 -2.883 32.333 5.069 1.00 3.31 H new ATOM 629 N GLU A 39 -1.321 29.999 5.054 1.00 53.03 N ATOM 630 CA GLU A 39 -0.513 28.951 5.666 1.00 13.12 C ATOM 631 C GLU A 39 0.886 28.918 5.059 1.00 43.30 C ATOM 632 O GLU A 39 1.887 28.932 5.777 1.00 64.14 O ATOM 633 CB GLU A 39 -1.188 27.589 5.493 1.00 73.11 C ATOM 634 CG GLU A 39 -2.142 27.234 6.622 1.00 63.05 C ATOM 635 CD GLU A 39 -1.475 27.275 7.983 1.00 51.21 C ATOM 636 OE1 GLU A 39 -0.627 26.400 8.254 1.00 21.42 O ATOM 637 OE2 GLU A 39 -1.801 28.182 8.777 1.00 55.13 O ATOM 0 H GLU A 39 -2.116 29.658 4.513 1.00 53.03 H new ATOM 0 HA GLU A 39 -0.424 29.172 6.730 1.00 13.12 H new ATOM 0 HB2 GLU A 39 -1.735 27.581 4.550 1.00 73.11 H new ATOM 0 HB3 GLU A 39 -0.420 26.819 5.422 1.00 73.11 H new ATOM 0 HG2 GLU A 39 -2.984 27.927 6.613 1.00 63.05 H new ATOM 0 HG3 GLU A 39 -2.548 26.237 6.450 1.00 63.05 H new ATOM 644 N LEU A 40 0.948 28.875 3.733 1.00 63.52 N ATOM 645 CA LEU A 40 2.225 28.839 3.027 1.00 12.23 C ATOM 646 C LEU A 40 3.119 29.996 3.462 1.00 63.22 C ATOM 647 O LEU A 40 4.277 29.795 3.830 1.00 72.31 O ATOM 648 CB LEU A 40 1.996 28.896 1.516 1.00 42.22 C ATOM 649 CG LEU A 40 2.470 27.680 0.719 1.00 1.20 C ATOM 650 CD1 LEU A 40 2.168 27.861 -0.760 1.00 73.44 C ATOM 651 CD2 LEU A 40 3.958 27.447 0.937 1.00 60.24 C ATOM 0 H LEU A 40 0.129 28.864 3.125 1.00 63.52 H new ATOM 0 HA LEU A 40 2.725 27.903 3.277 1.00 12.23 H new ATOM 0 HB2 LEU A 40 0.930 29.031 1.335 1.00 42.22 H new ATOM 0 HB3 LEU A 40 2.500 29.780 1.125 1.00 42.22 H new ATOM 0 HG LEU A 40 1.929 26.803 1.074 1.00 1.20 H new ATOM 0 HD11 LEU A 40 2.512 26.986 -1.311 1.00 73.44 H new ATOM 0 HD12 LEU A 40 1.093 27.979 -0.900 1.00 73.44 H new ATOM 0 HD13 LEU A 40 2.681 28.748 -1.130 1.00 73.44 H new ATOM 0 HD21 LEU A 40 4.278 26.578 0.362 1.00 60.24 H new ATOM 0 HD22 LEU A 40 4.516 28.324 0.609 1.00 60.24 H new ATOM 0 HD23 LEU A 40 4.148 27.272 1.996 1.00 60.24 H new ATOM 663 N PHE A 41 2.574 31.207 3.418 1.00 4.04 N ATOM 664 CA PHE A 41 3.323 32.396 3.809 1.00 55.32 C ATOM 665 C PHE A 41 3.806 32.286 5.252 1.00 74.50 C ATOM 666 O PHE A 41 4.987 32.481 5.539 1.00 14.43 O ATOM 667 CB PHE A 41 2.456 33.647 3.644 1.00 63.33 C ATOM 668 CG PHE A 41 3.246 34.924 3.623 1.00 53.43 C ATOM 669 CD1 PHE A 41 3.813 35.384 2.445 1.00 11.42 C ATOM 670 CD2 PHE A 41 3.420 35.666 4.780 1.00 20.42 C ATOM 671 CE1 PHE A 41 4.540 36.559 2.424 1.00 44.35 C ATOM 672 CE2 PHE A 41 4.146 36.842 4.765 1.00 62.44 C ATOM 673 CZ PHE A 41 4.706 37.289 3.584 1.00 2.42 C ATOM 0 H PHE A 41 1.617 31.391 3.116 1.00 4.04 H new ATOM 0 HA PHE A 41 4.194 32.476 3.159 1.00 55.32 H new ATOM 0 HB2 PHE A 41 1.887 33.566 2.718 1.00 63.33 H new ATOM 0 HB3 PHE A 41 1.734 33.689 4.459 1.00 63.33 H new ATOM 0 HD1 PHE A 41 3.685 34.818 1.534 1.00 11.42 H new ATOM 0 HD2 PHE A 41 2.983 35.321 5.705 1.00 20.42 H new ATOM 0 HE1 PHE A 41 4.978 36.906 1.500 1.00 44.35 H new ATOM 0 HE2 PHE A 41 4.275 37.410 5.674 1.00 62.44 H new ATOM 0 HZ PHE A 41 5.273 38.208 3.568 1.00 2.42 H new ATOM 683 N ASP A 42 2.884 31.971 6.155 1.00 31.14 N ATOM 684 CA ASP A 42 3.215 31.833 7.569 1.00 15.30 C ATOM 685 C ASP A 42 4.284 30.765 7.776 1.00 52.04 C ATOM 686 O ASP A 42 4.938 30.721 8.818 1.00 73.43 O ATOM 687 CB ASP A 42 1.963 31.483 8.376 1.00 62.24 C ATOM 688 CG ASP A 42 1.410 32.674 9.133 1.00 70.02 C ATOM 689 OD1 ASP A 42 0.691 33.487 8.515 1.00 1.15 O ATOM 690 OD2 ASP A 42 1.697 32.794 10.343 1.00 74.44 O ATOM 0 H ASP A 42 1.902 31.806 5.934 1.00 31.14 H new ATOM 0 HA ASP A 42 3.609 32.787 7.919 1.00 15.30 H new ATOM 0 HB2 ASP A 42 1.197 31.096 7.704 1.00 62.24 H new ATOM 0 HB3 ASP A 42 2.200 30.686 9.081 1.00 62.24 H new ATOM 695 N ARG A 43 4.455 29.906 6.776 1.00 21.44 N ATOM 696 CA ARG A 43 5.443 28.836 6.850 1.00 41.04 C ATOM 697 C ARG A 43 6.759 29.266 6.208 1.00 52.45 C ATOM 698 O ARG A 43 7.837 28.872 6.652 1.00 32.45 O ATOM 699 CB ARG A 43 4.915 27.577 6.160 1.00 32.32 C ATOM 700 CG ARG A 43 5.970 26.499 5.968 1.00 14.43 C ATOM 701 CD ARG A 43 6.572 26.067 7.296 1.00 43.11 C ATOM 702 NE ARG A 43 8.025 26.216 7.312 1.00 61.55 N ATOM 703 CZ ARG A 43 8.767 26.065 8.403 1.00 45.32 C ATOM 704 NH1 ARG A 43 8.196 25.764 9.561 1.00 64.53 N ATOM 705 NH2 ARG A 43 10.084 26.216 8.337 1.00 1.41 N ATOM 0 H ARG A 43 3.923 29.930 5.906 1.00 21.44 H new ATOM 0 HA ARG A 43 5.626 28.617 7.902 1.00 41.04 H new ATOM 0 HB2 ARG A 43 4.093 27.168 6.748 1.00 32.32 H new ATOM 0 HB3 ARG A 43 4.506 27.850 5.187 1.00 32.32 H new ATOM 0 HG2 ARG A 43 5.525 25.637 5.471 1.00 14.43 H new ATOM 0 HG3 ARG A 43 6.758 26.872 5.314 1.00 14.43 H new ATOM 0 HD2 ARG A 43 6.138 26.660 8.101 1.00 43.11 H new ATOM 0 HD3 ARG A 43 6.312 25.027 7.491 1.00 43.11 H new ATOM 0 HE ARG A 43 8.495 26.449 6.437 1.00 61.55 H new ATOM 0 HH11 ARG A 43 7.184 25.648 9.616 1.00 64.53 H new ATOM 0 HH12 ARG A 43 8.769 25.649 10.397 1.00 64.53 H new ATOM 0 HH21 ARG A 43 10.527 26.448 7.448 1.00 1.41 H new ATOM 0 HH22 ARG A 43 10.653 26.100 9.175 1.00 1.41 H new ATOM 719 N TYR A 44 6.662 30.077 5.160 1.00 62.14 N ATOM 720 CA TYR A 44 7.844 30.558 4.454 1.00 0.43 C ATOM 721 C TYR A 44 8.505 31.703 5.217 1.00 73.04 C ATOM 722 O TYR A 44 9.708 31.933 5.095 1.00 70.13 O ATOM 723 CB TYR A 44 7.470 31.019 3.044 1.00 20.34 C ATOM 724 CG TYR A 44 8.007 30.121 1.952 1.00 12.42 C ATOM 725 CD1 TYR A 44 7.334 28.963 1.585 1.00 73.42 C ATOM 726 CD2 TYR A 44 9.187 30.432 1.288 1.00 22.53 C ATOM 727 CE1 TYR A 44 7.821 28.139 0.588 1.00 55.30 C ATOM 728 CE2 TYR A 44 9.681 29.615 0.289 1.00 34.13 C ATOM 729 CZ TYR A 44 8.994 28.470 -0.057 1.00 70.10 C ATOM 730 OH TYR A 44 9.483 27.653 -1.051 1.00 0.14 O ATOM 0 H TYR A 44 5.777 30.415 4.781 1.00 62.14 H new ATOM 0 HA TYR A 44 8.554 29.734 4.383 1.00 0.43 H new ATOM 0 HB2 TYR A 44 6.384 31.067 2.962 1.00 20.34 H new ATOM 0 HB3 TYR A 44 7.846 32.030 2.889 1.00 20.34 H new ATOM 0 HD1 TYR A 44 6.414 28.702 2.087 1.00 73.42 H new ATOM 0 HD2 TYR A 44 9.727 31.327 1.557 1.00 22.53 H new ATOM 0 HE1 TYR A 44 7.286 27.241 0.316 1.00 55.30 H new ATOM 0 HE2 TYR A 44 10.600 29.871 -0.218 1.00 34.13 H new ATOM 0 HH TYR A 44 8.738 27.203 -1.501 1.00 0.14 H new ATOM 740 N VAL A 45 7.708 32.418 6.004 1.00 10.34 N ATOM 741 CA VAL A 45 8.214 33.538 6.789 1.00 52.30 C ATOM 742 C VAL A 45 9.357 33.101 7.698 1.00 34.32 C ATOM 743 O VAL A 45 10.224 33.900 8.050 1.00 64.12 O ATOM 744 CB VAL A 45 7.102 34.169 7.648 1.00 51.41 C ATOM 745 CG1 VAL A 45 6.044 34.812 6.764 1.00 72.20 C ATOM 746 CG2 VAL A 45 6.481 33.126 8.565 1.00 51.51 C ATOM 0 H VAL A 45 6.709 32.242 6.115 1.00 10.34 H new ATOM 0 HA VAL A 45 8.581 34.280 6.080 1.00 52.30 H new ATOM 0 HB VAL A 45 7.544 34.948 8.269 1.00 51.41 H new ATOM 0 HG11 VAL A 45 5.267 35.252 7.388 1.00 72.20 H new ATOM 0 HG12 VAL A 45 6.503 35.590 6.154 1.00 72.20 H new ATOM 0 HG13 VAL A 45 5.603 34.055 6.115 1.00 72.20 H new ATOM 0 HG21 VAL A 45 5.697 33.589 9.165 1.00 51.51 H new ATOM 0 HG22 VAL A 45 6.052 32.323 7.965 1.00 51.51 H new ATOM 0 HG23 VAL A 45 7.248 32.717 9.223 1.00 51.51 H new ATOM 756 N ARG A 46 9.351 31.826 8.075 1.00 12.31 N ATOM 757 CA ARG A 46 10.387 31.282 8.944 1.00 31.13 C ATOM 758 C ARG A 46 11.545 30.722 8.124 1.00 25.34 C ATOM 759 O ARG A 46 12.425 30.045 8.657 1.00 22.41 O ATOM 760 CB ARG A 46 9.807 30.187 9.841 1.00 34.03 C ATOM 761 CG ARG A 46 8.923 30.719 10.958 1.00 70.03 C ATOM 762 CD ARG A 46 7.937 29.666 11.437 1.00 34.34 C ATOM 763 NE ARG A 46 6.823 30.255 12.177 1.00 63.43 N ATOM 764 CZ ARG A 46 6.023 29.559 12.977 1.00 52.31 C ATOM 765 NH1 ARG A 46 6.212 28.257 13.141 1.00 52.34 N ATOM 766 NH2 ARG A 46 5.031 30.167 13.616 1.00 61.31 N ATOM 0 H ARG A 46 8.640 31.151 7.792 1.00 12.31 H new ATOM 0 HA ARG A 46 10.764 32.092 9.569 1.00 31.13 H new ATOM 0 HB2 ARG A 46 9.228 29.496 9.228 1.00 34.03 H new ATOM 0 HB3 ARG A 46 10.626 29.616 10.278 1.00 34.03 H new ATOM 0 HG2 ARG A 46 9.545 31.043 11.792 1.00 70.03 H new ATOM 0 HG3 ARG A 46 8.379 31.596 10.607 1.00 70.03 H new ATOM 0 HD2 ARG A 46 7.551 29.114 10.580 1.00 34.34 H new ATOM 0 HD3 ARG A 46 8.454 28.947 12.072 1.00 34.34 H new ATOM 0 HE ARG A 46 6.650 31.255 12.074 1.00 63.43 H new ATOM 0 HH11 ARG A 46 6.974 27.787 12.652 1.00 52.34 H new ATOM 0 HH12 ARG A 46 5.596 27.726 13.756 1.00 52.34 H new ATOM 0 HH21 ARG A 46 4.883 31.169 13.493 1.00 61.31 H new ATOM 0 HH22 ARG A 46 4.417 29.633 14.230 1.00 61.31 H new ATOM 780 N ILE A 47 11.538 31.008 6.827 1.00 3.40 N ATOM 781 CA ILE A 47 12.588 30.534 5.934 1.00 24.25 C ATOM 782 C ILE A 47 13.119 31.664 5.059 1.00 13.44 C ATOM 783 O ILE A 47 14.242 32.131 5.244 1.00 5.42 O ATOM 784 CB ILE A 47 12.086 29.393 5.031 1.00 72.44 C ATOM 785 CG1 ILE A 47 11.614 28.210 5.880 1.00 43.25 C ATOM 786 CG2 ILE A 47 13.181 28.958 4.068 1.00 21.54 C ATOM 787 CD1 ILE A 47 11.094 27.049 5.062 1.00 73.11 C ATOM 0 H ILE A 47 10.816 31.566 6.371 1.00 3.40 H new ATOM 0 HA ILE A 47 13.393 30.159 6.566 1.00 24.25 H new ATOM 0 HB ILE A 47 11.240 29.757 4.448 1.00 72.44 H new ATOM 0 HG12 ILE A 47 12.441 27.865 6.500 1.00 43.25 H new ATOM 0 HG13 ILE A 47 10.829 28.549 6.556 1.00 43.25 H new ATOM 0 HG21 ILE A 47 12.810 28.151 3.436 1.00 21.54 H new ATOM 0 HG22 ILE A 47 13.473 29.802 3.444 1.00 21.54 H new ATOM 0 HG23 ILE A 47 14.045 28.609 4.633 1.00 21.54 H new ATOM 0 HD11 ILE A 47 10.777 26.247 5.729 1.00 73.11 H new ATOM 0 HD12 ILE A 47 10.246 27.378 4.462 1.00 73.11 H new ATOM 0 HD13 ILE A 47 11.884 26.684 4.405 1.00 73.11 H new ATOM 799 N SER A 48 12.301 32.101 4.107 1.00 41.32 N ATOM 800 CA SER A 48 12.688 33.177 3.201 1.00 23.41 C ATOM 801 C SER A 48 11.649 34.294 3.209 1.00 65.11 C ATOM 802 O SER A 48 11.985 35.469 3.061 1.00 12.32 O ATOM 803 CB SER A 48 12.863 32.637 1.780 1.00 11.01 C ATOM 804 OG SER A 48 13.968 33.247 1.135 1.00 34.23 O ATOM 0 H SER A 48 11.366 31.727 3.943 1.00 41.32 H new ATOM 0 HA SER A 48 13.638 33.586 3.546 1.00 23.41 H new ATOM 0 HB2 SER A 48 13.008 31.557 1.813 1.00 11.01 H new ATOM 0 HB3 SER A 48 11.956 32.819 1.204 1.00 11.01 H new ATOM 0 HG SER A 48 14.158 32.776 0.297 1.00 34.23 H new ATOM 810 N ASP A 49 10.387 33.918 3.382 1.00 2.11 N ATOM 811 CA ASP A 49 9.298 34.887 3.410 1.00 11.25 C ATOM 812 C ASP A 49 9.082 35.503 2.032 1.00 43.05 C ATOM 813 O ASP A 49 9.265 36.706 1.841 1.00 30.40 O ATOM 814 CB ASP A 49 9.591 35.986 4.433 1.00 11.02 C ATOM 815 CG ASP A 49 8.330 36.666 4.930 1.00 61.20 C ATOM 816 OD1 ASP A 49 7.227 36.233 4.535 1.00 61.21 O ATOM 817 OD2 ASP A 49 8.446 37.630 5.714 1.00 3.25 O ATOM 0 H ASP A 49 10.093 32.949 3.505 1.00 2.11 H new ATOM 0 HA ASP A 49 8.387 34.364 3.701 1.00 11.25 H new ATOM 0 HB2 ASP A 49 10.127 35.557 5.280 1.00 11.02 H new ATOM 0 HB3 ASP A 49 10.249 36.730 3.984 1.00 11.02 H new ATOM 822 N LYS A 50 8.694 34.670 1.072 1.00 53.53 N ATOM 823 CA LYS A 50 8.453 35.132 -0.290 1.00 73.54 C ATOM 824 C LYS A 50 7.898 34.005 -1.156 1.00 73.10 C ATOM 825 O LYS A 50 8.215 33.905 -2.341 1.00 50.23 O ATOM 826 CB LYS A 50 9.746 35.671 -0.905 1.00 25.23 C ATOM 827 CG LYS A 50 10.779 34.594 -1.190 1.00 41.24 C ATOM 828 CD LYS A 50 12.073 34.847 -0.434 1.00 54.54 C ATOM 829 CE LYS A 50 12.700 36.174 -0.833 1.00 4.30 C ATOM 830 NZ LYS A 50 14.187 36.130 -0.755 1.00 51.22 N ATOM 0 H LYS A 50 8.540 33.672 1.212 1.00 53.53 H new ATOM 0 HA LYS A 50 7.716 35.934 -0.249 1.00 73.54 H new ATOM 0 HB2 LYS A 50 9.508 36.189 -1.834 1.00 25.23 H new ATOM 0 HB3 LYS A 50 10.179 36.409 -0.230 1.00 25.23 H new ATOM 0 HG2 LYS A 50 10.377 33.620 -0.910 1.00 41.24 H new ATOM 0 HG3 LYS A 50 10.983 34.558 -2.260 1.00 41.24 H new ATOM 0 HD2 LYS A 50 11.876 34.844 0.638 1.00 54.54 H new ATOM 0 HD3 LYS A 50 12.775 34.037 -0.631 1.00 54.54 H new ATOM 0 HE2 LYS A 50 12.397 36.428 -1.849 1.00 4.30 H new ATOM 0 HE3 LYS A 50 12.325 36.963 -0.181 1.00 4.30 H new ATOM 0 HZ1 LYS A 50 14.577 37.053 -1.034 1.00 51.22 H new ATOM 0 HZ2 LYS A 50 14.477 35.912 0.220 1.00 51.22 H new ATOM 0 HZ3 LYS A 50 14.547 35.394 -1.396 1.00 51.22 H new ATOM 844 N VAL A 51 7.066 33.159 -0.556 1.00 60.34 N ATOM 845 CA VAL A 51 6.465 32.041 -1.273 1.00 73.34 C ATOM 846 C VAL A 51 5.745 32.517 -2.530 1.00 42.03 C ATOM 847 O VAL A 51 5.891 31.929 -3.602 1.00 55.53 O ATOM 848 CB VAL A 51 5.468 31.274 -0.384 1.00 12.42 C ATOM 849 CG1 VAL A 51 4.436 32.225 0.203 1.00 14.12 C ATOM 850 CG2 VAL A 51 4.793 30.164 -1.175 1.00 21.13 C ATOM 0 H VAL A 51 6.793 33.227 0.424 1.00 60.34 H new ATOM 0 HA VAL A 51 7.279 31.372 -1.554 1.00 73.34 H new ATOM 0 HB VAL A 51 6.018 30.819 0.440 1.00 12.42 H new ATOM 0 HG11 VAL A 51 3.740 31.666 0.828 1.00 14.12 H new ATOM 0 HG12 VAL A 51 4.939 32.981 0.806 1.00 14.12 H new ATOM 0 HG13 VAL A 51 3.888 32.711 -0.604 1.00 14.12 H new ATOM 0 HG21 VAL A 51 4.092 29.633 -0.531 1.00 21.13 H new ATOM 0 HG22 VAL A 51 4.255 30.594 -2.020 1.00 21.13 H new ATOM 0 HG23 VAL A 51 5.547 29.468 -1.542 1.00 21.13 H new ATOM 860 N VAL A 52 4.968 33.587 -2.391 1.00 63.44 N ATOM 861 CA VAL A 52 4.227 34.144 -3.516 1.00 54.01 C ATOM 862 C VAL A 52 5.151 34.439 -4.692 1.00 0.11 C ATOM 863 O VAL A 52 4.771 34.274 -5.850 1.00 64.24 O ATOM 864 CB VAL A 52 3.492 35.438 -3.118 1.00 35.31 C ATOM 865 CG1 VAL A 52 2.906 36.119 -4.345 1.00 71.24 C ATOM 866 CG2 VAL A 52 2.406 35.140 -2.094 1.00 62.25 C ATOM 0 H VAL A 52 4.836 34.085 -1.511 1.00 63.44 H new ATOM 0 HA VAL A 52 3.494 33.394 -3.814 1.00 54.01 H new ATOM 0 HB VAL A 52 4.212 36.119 -2.664 1.00 35.31 H new ATOM 0 HG11 VAL A 52 2.391 37.031 -4.044 1.00 71.24 H new ATOM 0 HG12 VAL A 52 3.707 36.368 -5.041 1.00 71.24 H new ATOM 0 HG13 VAL A 52 2.199 35.447 -4.831 1.00 71.24 H new ATOM 0 HG21 VAL A 52 1.897 36.065 -1.824 1.00 62.25 H new ATOM 0 HG22 VAL A 52 1.686 34.441 -2.520 1.00 62.25 H new ATOM 0 HG23 VAL A 52 2.856 34.700 -1.204 1.00 62.25 H new ATOM 876 N GLY A 53 6.368 34.877 -4.385 1.00 44.32 N ATOM 877 CA GLY A 53 7.329 35.188 -5.427 1.00 42.34 C ATOM 878 C GLY A 53 7.831 33.949 -6.142 1.00 4.23 C ATOM 879 O GLY A 53 8.120 33.989 -7.338 1.00 63.30 O ATOM 0 H GLY A 53 6.706 35.022 -3.433 1.00 44.32 H new ATOM 0 HA2 GLY A 53 6.870 35.861 -6.151 1.00 42.34 H new ATOM 0 HA3 GLY A 53 8.175 35.719 -4.990 1.00 42.34 H new ATOM 883 N ILE A 54 7.937 32.847 -5.407 1.00 43.03 N ATOM 884 CA ILE A 54 8.409 31.592 -5.978 1.00 72.43 C ATOM 885 C ILE A 54 7.317 30.918 -6.802 1.00 74.11 C ATOM 886 O ILE A 54 7.598 30.243 -7.794 1.00 2.44 O ATOM 887 CB ILE A 54 8.884 30.618 -4.883 1.00 42.53 C ATOM 888 CG1 ILE A 54 10.021 31.244 -4.073 1.00 1.42 C ATOM 889 CG2 ILE A 54 9.330 29.302 -5.502 1.00 31.11 C ATOM 890 CD1 ILE A 54 10.017 30.841 -2.615 1.00 21.10 C ATOM 0 H ILE A 54 7.703 32.798 -4.416 1.00 43.03 H new ATOM 0 HA ILE A 54 9.251 31.837 -6.625 1.00 72.43 H new ATOM 0 HB ILE A 54 8.051 30.416 -4.210 1.00 42.53 H new ATOM 0 HG12 ILE A 54 10.974 30.958 -4.518 1.00 1.42 H new ATOM 0 HG13 ILE A 54 9.950 32.330 -4.142 1.00 1.42 H new ATOM 0 HG21 ILE A 54 9.663 28.624 -4.716 1.00 31.11 H new ATOM 0 HG22 ILE A 54 8.496 28.852 -6.040 1.00 31.11 H new ATOM 0 HG23 ILE A 54 10.152 29.486 -6.194 1.00 31.11 H new ATOM 0 HD11 ILE A 54 10.850 31.322 -2.102 1.00 21.10 H new ATOM 0 HD12 ILE A 54 9.079 31.152 -2.154 1.00 21.10 H new ATOM 0 HD13 ILE A 54 10.119 29.759 -2.536 1.00 21.10 H new ATOM 902 N LEU A 55 6.069 31.106 -6.387 1.00 10.14 N ATOM 903 CA LEU A 55 4.932 30.518 -7.087 1.00 44.21 C ATOM 904 C LEU A 55 4.981 30.847 -8.576 1.00 21.41 C ATOM 905 O LEU A 55 4.534 30.060 -9.410 1.00 32.02 O ATOM 906 CB LEU A 55 3.620 31.023 -6.485 1.00 1.04 C ATOM 907 CG LEU A 55 3.296 30.531 -5.074 1.00 22.34 C ATOM 908 CD1 LEU A 55 1.918 31.009 -4.645 1.00 33.22 C ATOM 909 CD2 LEU A 55 3.381 29.013 -5.006 1.00 23.13 C ATOM 0 H LEU A 55 5.819 31.661 -5.569 1.00 10.14 H new ATOM 0 HA LEU A 55 4.985 29.436 -6.970 1.00 44.21 H new ATOM 0 HB2 LEU A 55 3.645 32.113 -6.471 1.00 1.04 H new ATOM 0 HB3 LEU A 55 2.804 30.731 -7.146 1.00 1.04 H new ATOM 0 HG LEU A 55 4.032 30.948 -4.387 1.00 22.34 H new ATOM 0 HD11 LEU A 55 1.705 30.649 -3.638 1.00 33.22 H new ATOM 0 HD12 LEU A 55 1.892 32.099 -4.654 1.00 33.22 H new ATOM 0 HD13 LEU A 55 1.168 30.622 -5.335 1.00 33.22 H new ATOM 0 HD21 LEU A 55 3.147 28.680 -3.995 1.00 23.13 H new ATOM 0 HD22 LEU A 55 2.668 28.577 -5.705 1.00 23.13 H new ATOM 0 HD23 LEU A 55 4.389 28.693 -5.269 1.00 23.13 H new ATOM 921 N MET A 56 5.529 32.013 -8.902 1.00 23.43 N ATOM 922 CA MET A 56 5.640 32.443 -10.291 1.00 13.14 C ATOM 923 C MET A 56 6.449 31.441 -11.108 1.00 1.13 C ATOM 924 O MET A 56 6.184 31.233 -12.292 1.00 12.52 O ATOM 925 CB MET A 56 6.290 33.826 -10.368 1.00 60.32 C ATOM 926 CG MET A 56 5.570 34.883 -9.546 1.00 65.23 C ATOM 927 SD MET A 56 6.326 36.513 -9.696 1.00 65.22 S ATOM 928 CE MET A 56 5.215 37.296 -10.862 1.00 71.42 C ATOM 0 H MET A 56 5.903 32.677 -8.224 1.00 23.43 H new ATOM 0 HA MET A 56 4.635 32.498 -10.710 1.00 13.14 H new ATOM 0 HB2 MET A 56 7.322 33.753 -10.026 1.00 60.32 H new ATOM 0 HB3 MET A 56 6.321 34.146 -11.409 1.00 60.32 H new ATOM 0 HG2 MET A 56 4.529 34.939 -9.865 1.00 65.23 H new ATOM 0 HG3 MET A 56 5.567 34.583 -8.498 1.00 65.23 H new ATOM 0 HE1 MET A 56 5.551 38.314 -11.057 1.00 71.42 H new ATOM 0 HE2 MET A 56 5.209 36.731 -11.794 1.00 71.42 H new ATOM 0 HE3 MET A 56 4.208 37.320 -10.445 1.00 71.42 H new ATOM 938 N ARG A 57 7.437 30.823 -10.468 1.00 54.21 N ATOM 939 CA ARG A 57 8.285 29.844 -11.137 1.00 3.24 C ATOM 940 C ARG A 57 7.496 28.583 -11.477 1.00 4.11 C ATOM 941 O ARG A 57 7.507 28.121 -12.618 1.00 12.55 O ATOM 942 CB ARG A 57 9.482 29.487 -10.253 1.00 41.22 C ATOM 943 CG ARG A 57 10.284 28.301 -10.764 1.00 12.21 C ATOM 944 CD ARG A 57 11.421 27.949 -9.818 1.00 44.02 C ATOM 945 NE ARG A 57 12.545 27.333 -10.519 1.00 31.00 N ATOM 946 CZ ARG A 57 13.365 28.001 -11.323 1.00 30.22 C ATOM 947 NH1 ARG A 57 13.188 29.299 -11.526 1.00 31.11 N ATOM 948 NH2 ARG A 57 14.365 27.370 -11.925 1.00 21.11 N ATOM 0 H ARG A 57 7.669 30.983 -9.488 1.00 54.21 H new ATOM 0 HA ARG A 57 8.646 30.287 -12.065 1.00 3.24 H new ATOM 0 HB2 ARG A 57 10.139 30.354 -10.178 1.00 41.22 H new ATOM 0 HB3 ARG A 57 9.127 29.268 -9.246 1.00 41.22 H new ATOM 0 HG2 ARG A 57 9.627 27.439 -10.881 1.00 12.21 H new ATOM 0 HG3 ARG A 57 10.688 28.531 -11.750 1.00 12.21 H new ATOM 0 HD2 ARG A 57 11.761 28.851 -9.309 1.00 44.02 H new ATOM 0 HD3 ARG A 57 11.056 27.268 -9.050 1.00 44.02 H new ATOM 0 HE ARG A 57 12.709 26.335 -10.384 1.00 31.00 H new ATOM 0 HH11 ARG A 57 12.421 29.787 -11.064 1.00 31.11 H new ATOM 0 HH12 ARG A 57 13.819 29.809 -12.144 1.00 31.11 H new ATOM 0 HH21 ARG A 57 14.505 26.371 -11.771 1.00 21.11 H new ATOM 0 HH22 ARG A 57 14.994 27.883 -12.542 1.00 21.11 H new ATOM 962 N ALA A 58 6.814 28.031 -10.479 1.00 22.11 N ATOM 963 CA ALA A 58 6.019 26.825 -10.673 1.00 21.33 C ATOM 964 C ALA A 58 4.879 27.071 -11.654 1.00 75.24 C ATOM 965 O ALA A 58 4.460 26.164 -12.375 1.00 3.05 O ATOM 966 CB ALA A 58 5.474 26.332 -9.340 1.00 42.12 C ATOM 0 H ALA A 58 6.796 28.400 -9.528 1.00 22.11 H new ATOM 0 HA ALA A 58 6.667 26.057 -11.095 1.00 21.33 H new ATOM 0 HB1 ALA A 58 4.882 25.431 -9.500 1.00 42.12 H new ATOM 0 HB2 ALA A 58 6.303 26.108 -8.669 1.00 42.12 H new ATOM 0 HB3 ALA A 58 4.846 27.104 -8.896 1.00 42.12 H new ATOM 972 N ARG A 59 4.379 28.302 -11.677 1.00 40.14 N ATOM 973 CA ARG A 59 3.285 28.666 -12.570 1.00 1.33 C ATOM 974 C ARG A 59 3.705 28.526 -14.030 1.00 10.11 C ATOM 975 O ARG A 59 2.874 28.287 -14.906 1.00 52.23 O ATOM 976 CB ARG A 59 2.830 30.101 -12.294 1.00 60.42 C ATOM 977 CG ARG A 59 1.490 30.446 -12.923 1.00 61.12 C ATOM 978 CD ARG A 59 1.556 31.757 -13.690 1.00 41.15 C ATOM 979 NE ARG A 59 0.252 32.410 -13.772 1.00 62.34 N ATOM 980 CZ ARG A 59 0.021 33.502 -14.492 1.00 72.34 C ATOM 981 NH1 ARG A 59 1.001 34.060 -15.189 1.00 53.24 N ATOM 982 NH2 ARG A 59 -1.193 34.037 -14.517 1.00 11.04 N ATOM 0 H ARG A 59 4.714 29.064 -11.088 1.00 40.14 H new ATOM 0 HA ARG A 59 2.454 27.986 -12.383 1.00 1.33 H new ATOM 0 HB2 ARG A 59 2.766 30.252 -11.216 1.00 60.42 H new ATOM 0 HB3 ARG A 59 3.586 30.791 -12.668 1.00 60.42 H new ATOM 0 HG2 ARG A 59 1.186 29.644 -13.596 1.00 61.12 H new ATOM 0 HG3 ARG A 59 0.729 30.516 -12.146 1.00 61.12 H new ATOM 0 HD2 ARG A 59 2.266 32.426 -13.204 1.00 41.15 H new ATOM 0 HD3 ARG A 59 1.931 31.570 -14.696 1.00 41.15 H new ATOM 0 HE ARG A 59 -0.524 32.005 -13.248 1.00 62.34 H new ATOM 0 HH11 ARG A 59 1.935 33.651 -15.173 1.00 53.24 H new ATOM 0 HH12 ARG A 59 0.821 34.899 -15.741 1.00 53.24 H new ATOM 0 HH21 ARG A 59 -1.950 33.610 -13.983 1.00 11.04 H new ATOM 0 HH22 ARG A 59 -1.369 34.876 -15.070 1.00 11.04 H new ATOM 996 N LYS A 60 5.000 28.677 -14.285 1.00 23.22 N ATOM 997 CA LYS A 60 5.532 28.567 -15.638 1.00 23.42 C ATOM 998 C LYS A 60 5.095 27.259 -16.290 1.00 30.45 C ATOM 999 O LYS A 60 4.924 27.187 -17.507 1.00 23.30 O ATOM 1000 CB LYS A 60 7.060 28.652 -15.616 1.00 21.12 C ATOM 1001 CG LYS A 60 7.590 29.905 -14.940 1.00 74.11 C ATOM 1002 CD LYS A 60 7.988 30.961 -15.957 1.00 62.13 C ATOM 1003 CE LYS A 60 6.832 31.899 -16.269 1.00 23.00 C ATOM 1004 NZ LYS A 60 6.504 31.911 -17.721 1.00 73.24 N ATOM 0 H LYS A 60 5.701 28.876 -13.572 1.00 23.22 H new ATOM 0 HA LYS A 60 5.136 29.396 -16.225 1.00 23.42 H new ATOM 0 HB2 LYS A 60 7.457 27.777 -15.102 1.00 21.12 H new ATOM 0 HB3 LYS A 60 7.432 28.617 -16.640 1.00 21.12 H new ATOM 0 HG2 LYS A 60 6.829 30.309 -14.273 1.00 74.11 H new ATOM 0 HG3 LYS A 60 8.451 29.650 -14.323 1.00 74.11 H new ATOM 0 HD2 LYS A 60 8.831 31.536 -15.575 1.00 62.13 H new ATOM 0 HD3 LYS A 60 8.322 30.476 -16.874 1.00 62.13 H new ATOM 0 HE2 LYS A 60 5.953 31.594 -15.701 1.00 23.00 H new ATOM 0 HE3 LYS A 60 7.086 32.908 -15.946 1.00 23.00 H new ATOM 0 HZ1 LYS A 60 5.711 32.562 -17.892 1.00 73.24 H new ATOM 0 HZ2 LYS A 60 7.334 32.226 -18.262 1.00 73.24 H new ATOM 0 HZ3 LYS A 60 6.237 30.953 -18.024 1.00 73.24 H new ATOM 1018 N HIS A 61 4.914 26.227 -15.471 1.00 72.45 N ATOM 1019 CA HIS A 61 4.494 24.921 -15.969 1.00 11.31 C ATOM 1020 C HIS A 61 3.084 24.586 -15.492 1.00 52.23 C ATOM 1021 O HIS A 61 2.705 23.418 -15.417 1.00 14.33 O ATOM 1022 CB HIS A 61 5.471 23.839 -15.510 1.00 31.45 C ATOM 1023 CG HIS A 61 6.866 24.036 -16.018 1.00 73.42 C ATOM 1024 ND1 HIS A 61 7.258 23.688 -17.294 1.00 13.52 N ATOM 1025 CD2 HIS A 61 7.964 24.549 -15.416 1.00 14.05 C ATOM 1026 CE1 HIS A 61 8.537 23.978 -17.453 1.00 53.23 C ATOM 1027 NE2 HIS A 61 8.989 24.502 -16.328 1.00 54.11 N ATOM 0 H HIS A 61 5.051 26.270 -14.461 1.00 72.45 H new ATOM 0 HA HIS A 61 4.491 24.958 -17.058 1.00 11.31 H new ATOM 0 HB2 HIS A 61 5.490 23.817 -14.420 1.00 31.45 H new ATOM 0 HB3 HIS A 61 5.106 22.867 -15.842 1.00 31.45 H new ATOM 0 HD2 HIS A 61 8.023 24.926 -14.405 1.00 14.05 H new ATOM 0 HE1 HIS A 61 9.115 23.814 -18.351 1.00 53.23 H new ATOM 0 HE2 HIS A 61 9.944 24.820 -16.164 1.00 54.11 H new ATOM 1035 N GLY A 62 2.311 25.620 -15.171 1.00 24.20 N ATOM 1036 CA GLY A 62 0.953 25.414 -14.705 1.00 34.31 C ATOM 1037 C GLY A 62 0.877 24.427 -13.557 1.00 72.51 C ATOM 1038 O GLY A 62 0.308 23.343 -13.697 1.00 25.31 O ATOM 0 H GLY A 62 2.602 26.596 -15.226 1.00 24.20 H new ATOM 0 HA2 GLY A 62 0.532 26.368 -14.388 1.00 34.31 H new ATOM 0 HA3 GLY A 62 0.340 25.054 -15.531 1.00 34.31 H new ATOM 1042 N LEU A 63 1.452 24.800 -12.419 1.00 70.53 N ATOM 1043 CA LEU A 63 1.449 23.938 -11.242 1.00 12.00 C ATOM 1044 C LEU A 63 0.624 24.556 -10.117 1.00 62.13 C ATOM 1045 O LEU A 63 0.217 23.867 -9.182 1.00 13.44 O ATOM 1046 CB LEU A 63 2.880 23.690 -10.763 1.00 63.03 C ATOM 1047 CG LEU A 63 3.030 23.176 -9.331 1.00 15.31 C ATOM 1048 CD1 LEU A 63 4.221 22.238 -9.222 1.00 23.13 C ATOM 1049 CD2 LEU A 63 3.173 24.339 -8.360 1.00 21.14 C ATOM 0 H LEU A 63 1.926 25.693 -12.286 1.00 70.53 H new ATOM 0 HA LEU A 63 0.996 22.987 -11.520 1.00 12.00 H new ATOM 0 HB2 LEU A 63 3.348 22.971 -11.436 1.00 63.03 H new ATOM 0 HB3 LEU A 63 3.438 24.622 -10.853 1.00 63.03 H new ATOM 0 HG LEU A 63 2.131 22.618 -9.069 1.00 15.31 H new ATOM 0 HD11 LEU A 63 4.311 21.883 -8.196 1.00 23.13 H new ATOM 0 HD12 LEU A 63 4.077 21.388 -9.889 1.00 23.13 H new ATOM 0 HD13 LEU A 63 5.130 22.770 -9.503 1.00 23.13 H new ATOM 0 HD21 LEU A 63 3.279 23.955 -7.345 1.00 21.14 H new ATOM 0 HD22 LEU A 63 4.055 24.924 -8.620 1.00 21.14 H new ATOM 0 HD23 LEU A 63 2.288 24.972 -8.418 1.00 21.14 H new ATOM 1061 N VAL A 64 0.380 25.859 -10.216 1.00 61.24 N ATOM 1062 CA VAL A 64 -0.399 26.569 -9.209 1.00 40.44 C ATOM 1063 C VAL A 64 -1.727 27.053 -9.782 1.00 23.30 C ATOM 1064 O VAL A 64 -1.758 27.875 -10.698 1.00 45.11 O ATOM 1065 CB VAL A 64 0.376 27.777 -8.649 1.00 60.13 C ATOM 1066 CG1 VAL A 64 1.444 27.318 -7.669 1.00 24.32 C ATOM 1067 CG2 VAL A 64 0.992 28.586 -9.781 1.00 75.20 C ATOM 0 H VAL A 64 0.711 26.444 -10.983 1.00 61.24 H new ATOM 0 HA VAL A 64 -0.591 25.863 -8.401 1.00 40.44 H new ATOM 0 HB VAL A 64 -0.323 28.419 -8.113 1.00 60.13 H new ATOM 0 HG11 VAL A 64 1.981 28.185 -7.284 1.00 24.32 H new ATOM 0 HG12 VAL A 64 0.974 26.785 -6.842 1.00 24.32 H new ATOM 0 HG13 VAL A 64 2.143 26.654 -8.178 1.00 24.32 H new ATOM 0 HG21 VAL A 64 1.536 29.435 -9.367 1.00 75.20 H new ATOM 0 HG22 VAL A 64 1.679 27.956 -10.346 1.00 75.20 H new ATOM 0 HG23 VAL A 64 0.203 28.947 -10.441 1.00 75.20 H new ATOM 1077 N HIS A 65 -2.823 26.537 -9.236 1.00 33.13 N ATOM 1078 CA HIS A 65 -4.156 26.917 -9.691 1.00 63.14 C ATOM 1079 C HIS A 65 -4.597 28.228 -9.048 1.00 22.03 C ATOM 1080 O HIS A 65 -5.699 28.715 -9.299 1.00 72.04 O ATOM 1081 CB HIS A 65 -5.163 25.813 -9.368 1.00 65.52 C ATOM 1082 CG HIS A 65 -6.307 25.745 -10.332 1.00 32.23 C ATOM 1083 ND1 HIS A 65 -7.368 24.877 -10.180 1.00 13.41 N ATOM 1084 CD2 HIS A 65 -6.554 26.444 -11.464 1.00 11.52 C ATOM 1085 CE1 HIS A 65 -8.217 25.045 -11.178 1.00 15.21 C ATOM 1086 NE2 HIS A 65 -7.747 25.991 -11.971 1.00 21.11 N ATOM 0 H HIS A 65 -2.815 25.855 -8.478 1.00 33.13 H new ATOM 0 HA HIS A 65 -4.117 27.058 -10.771 1.00 63.14 H new ATOM 0 HB2 HIS A 65 -4.647 24.853 -9.361 1.00 65.52 H new ATOM 0 HB3 HIS A 65 -5.554 25.972 -8.363 1.00 65.52 H new ATOM 0 HD2 HIS A 65 -5.929 27.215 -11.890 1.00 11.52 H new ATOM 0 HE1 HIS A 65 -9.139 24.501 -11.321 1.00 15.21 H new ATOM 0 HE2 HIS A 65 -8.197 26.330 -12.821 1.00 21.11 H new ATOM 1094 N PHE A 66 -3.729 28.794 -8.215 1.00 52.14 N ATOM 1095 CA PHE A 66 -4.030 30.048 -7.534 1.00 61.11 C ATOM 1096 C PHE A 66 -4.355 31.149 -8.539 1.00 64.14 C ATOM 1097 O PHE A 66 -4.021 31.044 -9.719 1.00 74.42 O ATOM 1098 CB PHE A 66 -2.849 30.473 -6.659 1.00 13.14 C ATOM 1099 CG PHE A 66 -1.794 31.238 -7.405 1.00 71.14 C ATOM 1100 CD1 PHE A 66 -1.291 30.759 -8.604 1.00 43.13 C ATOM 1101 CD2 PHE A 66 -1.306 32.436 -6.909 1.00 21.32 C ATOM 1102 CE1 PHE A 66 -0.319 31.461 -9.293 1.00 32.51 C ATOM 1103 CE2 PHE A 66 -0.335 33.142 -7.593 1.00 64.23 C ATOM 1104 CZ PHE A 66 0.159 32.654 -8.788 1.00 34.15 C ATOM 0 H PHE A 66 -2.812 28.404 -7.996 1.00 52.14 H new ATOM 0 HA PHE A 66 -4.904 29.889 -6.902 1.00 61.11 H new ATOM 0 HB2 PHE A 66 -3.218 31.087 -5.837 1.00 13.14 H new ATOM 0 HB3 PHE A 66 -2.398 29.585 -6.216 1.00 13.14 H new ATOM 0 HD1 PHE A 66 -1.662 29.827 -9.005 1.00 43.13 H new ATOM 0 HD2 PHE A 66 -1.689 32.823 -5.976 1.00 21.32 H new ATOM 0 HE1 PHE A 66 0.066 31.076 -10.226 1.00 32.51 H new ATOM 0 HE2 PHE A 66 0.037 34.074 -7.194 1.00 64.23 H new ATOM 0 HZ PHE A 66 0.917 33.204 -9.325 1.00 34.15 H new ATOM 1114 N GLU A 67 -5.008 32.204 -8.062 1.00 63.03 N ATOM 1115 CA GLU A 67 -5.379 33.324 -8.920 1.00 22.45 C ATOM 1116 C GLU A 67 -4.158 33.881 -9.646 1.00 22.04 C ATOM 1117 O GLU A 67 -3.031 33.448 -9.410 1.00 24.00 O ATOM 1118 CB GLU A 67 -6.043 34.428 -8.095 1.00 34.22 C ATOM 1119 CG GLU A 67 -5.283 34.782 -6.828 1.00 14.42 C ATOM 1120 CD GLU A 67 -5.570 36.193 -6.351 1.00 42.11 C ATOM 1121 OE1 GLU A 67 -4.909 37.131 -6.845 1.00 11.02 O ATOM 1122 OE2 GLU A 67 -6.454 36.359 -5.485 1.00 4.41 O ATOM 0 H GLU A 67 -5.291 32.307 -7.087 1.00 63.03 H new ATOM 0 HA GLU A 67 -6.087 32.960 -9.664 1.00 22.45 H new ATOM 0 HB2 GLU A 67 -6.141 35.322 -8.711 1.00 34.22 H new ATOM 0 HB3 GLU A 67 -7.052 34.113 -7.828 1.00 34.22 H new ATOM 0 HG2 GLU A 67 -5.547 34.076 -6.041 1.00 14.42 H new ATOM 0 HG3 GLU A 67 -4.213 34.674 -7.008 1.00 14.42 H new ATOM 1129 N GLY A 68 -4.392 34.845 -10.531 1.00 62.00 N ATOM 1130 CA GLY A 68 -3.303 35.446 -11.279 1.00 22.32 C ATOM 1131 C GLY A 68 -3.221 36.946 -11.080 1.00 11.23 C ATOM 1132 O GLY A 68 -3.186 37.706 -12.047 1.00 63.52 O ATOM 0 H GLY A 68 -5.316 35.221 -10.743 1.00 62.00 H new ATOM 0 HA2 GLY A 68 -2.361 34.990 -10.973 1.00 22.32 H new ATOM 0 HA3 GLY A 68 -3.432 35.230 -12.340 1.00 22.32 H new ATOM 1136 N GLU A 69 -3.193 37.374 -9.821 1.00 62.03 N ATOM 1137 CA GLU A 69 -3.118 38.794 -9.500 1.00 4.24 C ATOM 1138 C GLU A 69 -2.430 39.012 -8.155 1.00 24.21 C ATOM 1139 O GLU A 69 -2.770 39.933 -7.413 1.00 74.24 O ATOM 1140 CB GLU A 69 -4.519 39.409 -9.473 1.00 64.13 C ATOM 1141 CG GLU A 69 -5.252 39.310 -10.801 1.00 23.45 C ATOM 1142 CD GLU A 69 -6.617 39.969 -10.764 1.00 22.24 C ATOM 1143 OE1 GLU A 69 -6.725 41.075 -10.194 1.00 54.01 O ATOM 1144 OE2 GLU A 69 -7.576 39.379 -11.304 1.00 2.24 O ATOM 0 H GLU A 69 -3.221 36.758 -9.008 1.00 62.03 H new ATOM 0 HA GLU A 69 -2.529 39.284 -10.275 1.00 4.24 H new ATOM 0 HB2 GLU A 69 -5.110 38.913 -8.703 1.00 64.13 H new ATOM 0 HB3 GLU A 69 -4.441 40.458 -9.188 1.00 64.13 H new ATOM 0 HG2 GLU A 69 -4.649 39.776 -11.580 1.00 23.45 H new ATOM 0 HG3 GLU A 69 -5.367 38.260 -11.071 1.00 23.45 H new ATOM 1151 N MET A 70 -1.460 38.156 -7.848 1.00 2.50 N ATOM 1152 CA MET A 70 -0.723 38.255 -6.593 1.00 52.22 C ATOM 1153 C MET A 70 -1.649 38.037 -5.401 1.00 21.43 C ATOM 1154 O MET A 70 -2.870 38.143 -5.522 1.00 71.53 O ATOM 1155 CB MET A 70 -0.043 39.621 -6.482 1.00 54.33 C ATOM 1156 CG MET A 70 0.511 40.133 -7.802 1.00 15.40 C ATOM 1157 SD MET A 70 1.698 38.997 -8.545 1.00 14.44 S ATOM 1158 CE MET A 70 3.096 39.201 -7.444 1.00 14.04 C ATOM 0 H MET A 70 -1.166 37.387 -8.450 1.00 2.50 H new ATOM 0 HA MET A 70 0.040 37.476 -6.586 1.00 52.22 H new ATOM 0 HB2 MET A 70 -0.760 40.344 -6.093 1.00 54.33 H new ATOM 0 HB3 MET A 70 0.769 39.556 -5.757 1.00 54.33 H new ATOM 0 HG2 MET A 70 -0.312 40.298 -8.497 1.00 15.40 H new ATOM 0 HG3 MET A 70 0.990 41.099 -7.640 1.00 15.40 H new ATOM 0 HE1 MET A 70 3.964 38.688 -7.859 1.00 14.04 H new ATOM 0 HE2 MET A 70 3.320 40.262 -7.333 1.00 14.04 H new ATOM 0 HE3 MET A 70 2.856 38.777 -6.469 1.00 14.04 H new ATOM 1168 N LEU A 71 -1.061 37.731 -4.249 1.00 40.04 N ATOM 1169 CA LEU A 71 -1.833 37.497 -3.034 1.00 55.12 C ATOM 1170 C LEU A 71 -1.344 38.389 -1.898 1.00 22.34 C ATOM 1171 O LEU A 71 -0.174 38.340 -1.517 1.00 72.41 O ATOM 1172 CB LEU A 71 -1.739 36.027 -2.621 1.00 52.24 C ATOM 1173 CG LEU A 71 -1.800 35.006 -3.758 1.00 20.34 C ATOM 1174 CD1 LEU A 71 -1.926 33.596 -3.202 1.00 31.23 C ATOM 1175 CD2 LEU A 71 -2.958 35.318 -4.694 1.00 35.52 C ATOM 0 H LEU A 71 -0.052 37.639 -4.131 1.00 40.04 H new ATOM 0 HA LEU A 71 -2.874 37.743 -3.242 1.00 55.12 H new ATOM 0 HB2 LEU A 71 -0.805 35.882 -2.078 1.00 52.24 H new ATOM 0 HB3 LEU A 71 -2.549 35.814 -1.924 1.00 52.24 H new ATOM 0 HG LEU A 71 -0.873 35.069 -4.327 1.00 20.34 H new ATOM 0 HD11 LEU A 71 -1.968 32.883 -4.025 1.00 31.23 H new ATOM 0 HD12 LEU A 71 -1.064 33.374 -2.573 1.00 31.23 H new ATOM 0 HD13 LEU A 71 -2.837 33.519 -2.608 1.00 31.23 H new ATOM 0 HD21 LEU A 71 -2.986 34.581 -5.497 1.00 35.52 H new ATOM 0 HD22 LEU A 71 -3.895 35.284 -4.138 1.00 35.52 H new ATOM 0 HD23 LEU A 71 -2.824 36.313 -5.119 1.00 35.52 H new ATOM 1187 N TRP A 72 -2.246 39.200 -1.359 1.00 14.41 N ATOM 1188 CA TRP A 72 -1.906 40.102 -0.264 1.00 34.34 C ATOM 1189 C TRP A 72 -2.198 39.453 1.085 1.00 11.42 C ATOM 1190 O TRP A 72 -3.333 39.069 1.366 1.00 61.34 O ATOM 1191 CB TRP A 72 -2.686 41.411 -0.393 1.00 43.41 C ATOM 1192 CG TRP A 72 -2.462 42.109 -1.701 1.00 34.31 C ATOM 1193 CD1 TRP A 72 -3.420 42.553 -2.567 1.00 34.01 C ATOM 1194 CD2 TRP A 72 -1.201 42.439 -2.291 1.00 44.42 C ATOM 1195 NE1 TRP A 72 -2.830 43.140 -3.660 1.00 51.01 N ATOM 1196 CE2 TRP A 72 -1.469 43.084 -3.515 1.00 32.14 C ATOM 1197 CE3 TRP A 72 0.130 42.256 -1.905 1.00 34.14 C ATOM 1198 CZ2 TRP A 72 -0.456 43.543 -4.352 1.00 20.10 C ATOM 1199 CZ3 TRP A 72 1.134 42.712 -2.737 1.00 21.21 C ATOM 1200 CH2 TRP A 72 0.837 43.350 -3.949 1.00 23.24 C ATOM 0 H TRP A 72 -3.219 39.252 -1.662 1.00 14.41 H new ATOM 0 HA TRP A 72 -0.839 40.316 -0.321 1.00 34.34 H new ATOM 0 HB2 TRP A 72 -3.750 41.205 -0.277 1.00 43.41 H new ATOM 0 HB3 TRP A 72 -2.400 42.078 0.420 1.00 43.41 H new ATOM 0 HD1 TRP A 72 -4.485 42.457 -2.415 1.00 34.01 H new ATOM 0 HE1 TRP A 72 -3.325 43.551 -4.451 1.00 51.01 H new ATOM 0 HE3 TRP A 72 0.369 41.767 -0.972 1.00 34.14 H new ATOM 0 HZ2 TRP A 72 -0.683 44.034 -5.287 1.00 20.10 H new ATOM 0 HZ3 TRP A 72 2.166 42.574 -2.449 1.00 21.21 H new ATOM 0 HH2 TRP A 72 1.645 43.696 -4.577 1.00 23.24 H new ATOM 1211 N GLN A 73 -1.167 39.336 1.916 1.00 52.11 N ATOM 1212 CA GLN A 73 -1.315 38.734 3.235 1.00 22.54 C ATOM 1213 C GLN A 73 -2.459 39.384 4.006 1.00 3.21 C ATOM 1214 O GLN A 73 -2.490 40.602 4.179 1.00 33.25 O ATOM 1215 CB GLN A 73 -0.012 38.863 4.027 1.00 72.21 C ATOM 1216 CG GLN A 73 0.074 37.919 5.215 1.00 32.32 C ATOM 1217 CD GLN A 73 -0.241 38.605 6.530 1.00 62.01 C ATOM 1218 OE1 GLN A 73 -1.310 39.192 6.697 1.00 75.42 O ATOM 1219 NE2 GLN A 73 0.692 38.535 7.473 1.00 52.05 N ATOM 0 H GLN A 73 -0.221 39.650 1.699 1.00 52.11 H new ATOM 0 HA GLN A 73 -1.547 37.678 3.100 1.00 22.54 H new ATOM 0 HB2 GLN A 73 0.829 38.672 3.360 1.00 72.21 H new ATOM 0 HB3 GLN A 73 0.088 39.889 4.381 1.00 72.21 H new ATOM 0 HG2 GLN A 73 -0.619 37.091 5.067 1.00 32.32 H new ATOM 0 HG3 GLN A 73 1.076 37.492 5.263 1.00 32.32 H new ATOM 0 HE21 GLN A 73 1.564 38.038 7.292 1.00 52.05 H new ATOM 0 HE22 GLN A 73 0.536 38.978 8.378 1.00 52.05 H new ATOM 1228 N GLY A 74 -3.398 38.563 4.467 1.00 40.42 N ATOM 1229 CA GLY A 74 -4.531 39.078 5.213 1.00 34.41 C ATOM 1230 C GLY A 74 -5.723 39.377 4.325 1.00 22.21 C ATOM 1231 O GLY A 74 -6.820 39.646 4.815 1.00 41.34 O ATOM 0 H GLY A 74 -3.394 37.551 4.337 1.00 40.42 H new ATOM 0 HA2 GLY A 74 -4.821 38.353 5.973 1.00 34.41 H new ATOM 0 HA3 GLY A 74 -4.235 39.987 5.736 1.00 34.41 H new ATOM 1235 N LYS A 75 -5.508 39.331 3.015 1.00 52.34 N ATOM 1236 CA LYS A 75 -6.572 39.600 2.055 1.00 73.13 C ATOM 1237 C LYS A 75 -6.773 38.412 1.119 1.00 54.32 C ATOM 1238 O LYS A 75 -7.880 37.886 0.997 1.00 23.15 O ATOM 1239 CB LYS A 75 -6.248 40.855 1.241 1.00 34.11 C ATOM 1240 CG LYS A 75 -5.755 42.017 2.086 1.00 55.02 C ATOM 1241 CD LYS A 75 -6.824 42.495 3.054 1.00 14.51 C ATOM 1242 CE LYS A 75 -6.394 43.762 3.779 1.00 64.44 C ATOM 1243 NZ LYS A 75 -7.169 44.950 3.328 1.00 74.15 N ATOM 0 H LYS A 75 -4.606 39.110 2.593 1.00 52.34 H new ATOM 0 HA LYS A 75 -7.496 39.763 2.610 1.00 73.13 H new ATOM 0 HB2 LYS A 75 -5.490 40.610 0.497 1.00 34.11 H new ATOM 0 HB3 LYS A 75 -7.140 41.165 0.697 1.00 34.11 H new ATOM 0 HG2 LYS A 75 -4.868 41.713 2.643 1.00 55.02 H new ATOM 0 HG3 LYS A 75 -5.457 42.840 1.436 1.00 55.02 H new ATOM 0 HD2 LYS A 75 -7.751 42.682 2.511 1.00 14.51 H new ATOM 0 HD3 LYS A 75 -7.034 41.711 3.782 1.00 14.51 H new ATOM 0 HE2 LYS A 75 -6.526 43.629 4.853 1.00 64.44 H new ATOM 0 HE3 LYS A 75 -5.332 43.935 3.608 1.00 64.44 H new ATOM 0 HZ1 LYS A 75 -6.846 45.792 3.846 1.00 74.15 H new ATOM 0 HZ2 LYS A 75 -7.023 45.093 2.308 1.00 74.15 H new ATOM 0 HZ3 LYS A 75 -8.180 44.796 3.514 1.00 74.15 H new ATOM 1257 N ASP A 76 -5.698 37.995 0.461 1.00 65.21 N ATOM 1258 CA ASP A 76 -5.756 36.867 -0.462 1.00 45.42 C ATOM 1259 C ASP A 76 -5.416 35.563 0.251 1.00 24.34 C ATOM 1260 O ASP A 76 -5.153 34.544 -0.388 1.00 61.00 O ATOM 1261 CB ASP A 76 -4.795 37.089 -1.632 1.00 33.50 C ATOM 1262 CG ASP A 76 -5.243 38.213 -2.544 1.00 54.42 C ATOM 1263 OD1 ASP A 76 -5.731 39.239 -2.025 1.00 40.13 O ATOM 1264 OD2 ASP A 76 -5.107 38.068 -3.777 1.00 75.33 O ATOM 0 H ASP A 76 -4.775 38.421 0.549 1.00 65.21 H new ATOM 0 HA ASP A 76 -6.774 36.795 -0.846 1.00 45.42 H new ATOM 0 HB2 ASP A 76 -3.801 37.314 -1.244 1.00 33.50 H new ATOM 0 HB3 ASP A 76 -4.711 36.168 -2.209 1.00 33.50 H new ATOM 1269 N ASP A 77 -5.421 35.602 1.579 1.00 35.22 N ATOM 1270 CA ASP A 77 -5.114 34.423 2.380 1.00 23.23 C ATOM 1271 C ASP A 77 -6.062 33.275 2.045 1.00 5.40 C ATOM 1272 O ASP A 77 -5.720 32.104 2.214 1.00 43.43 O ATOM 1273 CB ASP A 77 -5.202 34.755 3.871 1.00 54.14 C ATOM 1274 CG ASP A 77 -6.635 34.892 4.349 1.00 25.41 C ATOM 1275 OD1 ASP A 77 -7.350 35.775 3.833 1.00 75.54 O ATOM 1276 OD2 ASP A 77 -7.039 34.116 5.241 1.00 51.03 O ATOM 0 H ASP A 77 -5.634 36.438 2.124 1.00 35.22 H new ATOM 0 HA ASP A 77 -4.097 34.110 2.145 1.00 23.23 H new ATOM 0 HB2 ASP A 77 -4.704 33.973 4.445 1.00 54.14 H new ATOM 0 HB3 ASP A 77 -4.666 35.684 4.066 1.00 54.14 H new ATOM 1281 N HIS A 78 -7.255 33.620 1.570 1.00 25.42 N ATOM 1282 CA HIS A 78 -8.252 32.618 1.212 1.00 55.14 C ATOM 1283 C HIS A 78 -7.800 31.811 -0.001 1.00 73.53 C ATOM 1284 O HIS A 78 -8.271 30.696 -0.228 1.00 61.24 O ATOM 1285 CB HIS A 78 -9.596 33.288 0.921 1.00 30.41 C ATOM 1286 CG HIS A 78 -9.626 34.031 -0.379 1.00 11.02 C ATOM 1287 ND1 HIS A 78 -8.700 34.824 -0.967 1.00 52.54 N flip ATOM 1288 CD2 HIS A 78 -10.707 34.007 -1.234 1.00 21.21 C flip ATOM 1289 CE1 HIS A 78 -9.232 35.259 -2.155 1.00 50.14 C flip ATOM 1290 NE2 HIS A 78 -10.444 34.752 -2.293 1.00 53.34 N flip ATOM 0 H HIS A 78 -7.554 34.584 1.424 1.00 25.42 H new ATOM 0 HA HIS A 78 -8.368 31.938 2.056 1.00 55.14 H new ATOM 0 HB2 HIS A 78 -10.377 32.528 0.914 1.00 30.41 H new ATOM 0 HB3 HIS A 78 -9.831 33.979 1.731 1.00 30.41 H new ATOM 0 HD2 HIS A 78 -11.625 33.464 -1.065 1.00 21.21 H new ATOM 0 HE1 HIS A 78 -8.740 35.910 -2.862 1.00 50.14 H new ATOM 0 HE2 HIS A 78 -11.070 34.909 -3.083 1.00 53.34 H new ATOM 1298 N VAL A 79 -6.885 32.381 -0.778 1.00 61.03 N ATOM 1299 CA VAL A 79 -6.369 31.714 -1.968 1.00 1.22 C ATOM 1300 C VAL A 79 -5.799 30.342 -1.625 1.00 43.52 C ATOM 1301 O VAL A 79 -4.804 30.233 -0.908 1.00 41.04 O ATOM 1302 CB VAL A 79 -5.276 32.556 -2.653 1.00 60.33 C ATOM 1303 CG1 VAL A 79 -4.672 31.795 -3.824 1.00 25.14 C ATOM 1304 CG2 VAL A 79 -5.841 33.892 -3.110 1.00 52.03 C ATOM 0 H VAL A 79 -6.485 33.303 -0.605 1.00 61.03 H new ATOM 0 HA VAL A 79 -7.208 31.594 -2.654 1.00 1.22 H new ATOM 0 HB VAL A 79 -4.484 32.751 -1.929 1.00 60.33 H new ATOM 0 HG11 VAL A 79 -3.902 32.405 -4.296 1.00 25.14 H new ATOM 0 HG12 VAL A 79 -4.230 30.866 -3.465 1.00 25.14 H new ATOM 0 HG13 VAL A 79 -5.451 31.568 -4.551 1.00 25.14 H new ATOM 0 HG21 VAL A 79 -5.055 34.474 -3.592 1.00 52.03 H new ATOM 0 HG22 VAL A 79 -6.652 33.721 -3.818 1.00 52.03 H new ATOM 0 HG23 VAL A 79 -6.222 34.440 -2.248 1.00 52.03 H new ATOM 1314 N VAL A 80 -6.436 29.297 -2.143 1.00 23.22 N ATOM 1315 CA VAL A 80 -5.991 27.931 -1.893 1.00 72.24 C ATOM 1316 C VAL A 80 -5.052 27.449 -2.993 1.00 44.11 C ATOM 1317 O VAL A 80 -5.426 27.399 -4.165 1.00 61.21 O ATOM 1318 CB VAL A 80 -7.184 26.962 -1.792 1.00 54.01 C ATOM 1319 CG1 VAL A 80 -6.698 25.528 -1.649 1.00 44.12 C ATOM 1320 CG2 VAL A 80 -8.085 27.347 -0.628 1.00 21.51 C ATOM 0 H VAL A 80 -7.261 29.370 -2.738 1.00 23.22 H new ATOM 0 HA VAL A 80 -5.458 27.941 -0.942 1.00 72.24 H new ATOM 0 HB VAL A 80 -7.765 27.032 -2.711 1.00 54.01 H new ATOM 0 HG11 VAL A 80 -7.555 24.859 -1.579 1.00 44.12 H new ATOM 0 HG12 VAL A 80 -6.097 25.259 -2.518 1.00 44.12 H new ATOM 0 HG13 VAL A 80 -6.092 25.437 -0.747 1.00 44.12 H new ATOM 0 HG21 VAL A 80 -8.923 26.652 -0.571 1.00 21.51 H new ATOM 0 HG22 VAL A 80 -7.516 27.307 0.301 1.00 21.51 H new ATOM 0 HG23 VAL A 80 -8.462 28.358 -0.779 1.00 21.51 H new ATOM 1330 N ILE A 81 -3.830 27.096 -2.607 1.00 73.52 N ATOM 1331 CA ILE A 81 -2.837 26.616 -3.561 1.00 14.15 C ATOM 1332 C ILE A 81 -2.797 25.092 -3.593 1.00 12.13 C ATOM 1333 O ILE A 81 -2.341 24.451 -2.645 1.00 54.20 O ATOM 1334 CB ILE A 81 -1.432 27.149 -3.225 1.00 63.50 C ATOM 1335 CG1 ILE A 81 -1.427 28.679 -3.230 1.00 74.43 C ATOM 1336 CG2 ILE A 81 -0.410 26.607 -4.214 1.00 13.10 C ATOM 1337 CD1 ILE A 81 -1.761 29.288 -1.887 1.00 3.42 C ATOM 0 H ILE A 81 -3.504 27.133 -1.641 1.00 73.52 H new ATOM 0 HA ILE A 81 -3.134 26.989 -4.541 1.00 14.15 H new ATOM 0 HB ILE A 81 -1.160 26.808 -2.226 1.00 63.50 H new ATOM 0 HG12 ILE A 81 -0.444 29.030 -3.545 1.00 74.43 H new ATOM 0 HG13 ILE A 81 -2.145 29.034 -3.970 1.00 74.43 H new ATOM 0 HG21 ILE A 81 0.578 26.992 -3.964 1.00 13.10 H new ATOM 0 HG22 ILE A 81 -0.398 25.518 -4.165 1.00 13.10 H new ATOM 0 HG23 ILE A 81 -0.677 26.922 -5.223 1.00 13.10 H new ATOM 0 HD11 ILE A 81 -1.739 30.375 -1.965 1.00 3.42 H new ATOM 0 HD12 ILE A 81 -2.756 28.966 -1.579 1.00 3.42 H new ATOM 0 HD13 ILE A 81 -1.029 28.962 -1.148 1.00 3.42 H new ATOM 1349 N THR A 82 -3.276 24.516 -4.691 1.00 71.20 N ATOM 1350 CA THR A 82 -3.295 23.067 -4.848 1.00 44.00 C ATOM 1351 C THR A 82 -2.216 22.606 -5.822 1.00 31.35 C ATOM 1352 O THR A 82 -2.291 22.877 -7.021 1.00 25.12 O ATOM 1353 CB THR A 82 -4.666 22.574 -5.347 1.00 63.51 C ATOM 1354 OG1 THR A 82 -4.580 21.198 -5.736 1.00 5.03 O ATOM 1355 CG2 THR A 82 -5.146 23.409 -6.524 1.00 11.20 C ATOM 0 H THR A 82 -3.656 25.031 -5.485 1.00 71.20 H new ATOM 0 HA THR A 82 -3.100 22.639 -3.865 1.00 44.00 H new ATOM 0 HB THR A 82 -5.383 22.677 -4.532 1.00 63.51 H new ATOM 0 HG1 THR A 82 -5.456 20.892 -6.051 1.00 5.03 H new ATOM 0 HG21 THR A 82 -6.116 23.042 -6.859 1.00 11.20 H new ATOM 0 HG22 THR A 82 -5.238 24.451 -6.217 1.00 11.20 H new ATOM 0 HG23 THR A 82 -4.428 23.334 -7.341 1.00 11.20 H new ATOM 1363 N LEU A 83 -1.214 21.907 -5.299 1.00 73.24 N ATOM 1364 CA LEU A 83 -0.119 21.406 -6.123 1.00 54.34 C ATOM 1365 C LEU A 83 -0.652 20.686 -7.358 1.00 32.02 C ATOM 1366 O LEU A 83 -1.148 19.562 -7.268 1.00 70.14 O ATOM 1367 CB LEU A 83 0.766 20.461 -5.310 1.00 23.11 C ATOM 1368 CG LEU A 83 2.269 20.553 -5.577 1.00 61.23 C ATOM 1369 CD1 LEU A 83 2.802 21.917 -5.168 1.00 55.44 C ATOM 1370 CD2 LEU A 83 3.010 19.446 -4.841 1.00 4.50 C ATOM 0 H LEU A 83 -1.137 21.674 -4.309 1.00 73.24 H new ATOM 0 HA LEU A 83 0.476 22.259 -6.451 1.00 54.34 H new ATOM 0 HB2 LEU A 83 0.593 20.654 -4.251 1.00 23.11 H new ATOM 0 HB3 LEU A 83 0.445 19.438 -5.504 1.00 23.11 H new ATOM 0 HG LEU A 83 2.437 20.427 -6.647 1.00 61.23 H new ATOM 0 HD11 LEU A 83 3.873 21.963 -5.365 1.00 55.44 H new ATOM 0 HD12 LEU A 83 2.294 22.693 -5.740 1.00 55.44 H new ATOM 0 HD13 LEU A 83 2.622 22.074 -4.104 1.00 55.44 H new ATOM 0 HD21 LEU A 83 4.078 19.527 -5.042 1.00 4.50 H new ATOM 0 HD22 LEU A 83 2.835 19.541 -3.769 1.00 4.50 H new ATOM 0 HD23 LEU A 83 2.649 18.476 -5.183 1.00 4.50 H new ATOM 1382 N LEU A 84 -0.545 21.339 -8.510 1.00 0.04 N ATOM 1383 CA LEU A 84 -1.014 20.760 -9.764 1.00 1.21 C ATOM 1384 C LEU A 84 0.118 20.036 -10.486 1.00 52.01 C ATOM 1385 O LEU A 84 0.782 20.608 -11.350 1.00 13.44 O ATOM 1386 CB LEU A 84 -1.595 21.851 -10.666 1.00 64.40 C ATOM 1387 CG LEU A 84 -2.868 22.531 -10.162 1.00 60.23 C ATOM 1388 CD1 LEU A 84 -3.408 23.495 -11.208 1.00 25.35 C ATOM 1389 CD2 LEU A 84 -3.919 21.492 -9.799 1.00 12.44 C ATOM 0 H LEU A 84 -0.138 22.270 -8.602 1.00 0.04 H new ATOM 0 HA LEU A 84 -1.794 20.035 -9.532 1.00 1.21 H new ATOM 0 HB2 LEU A 84 -0.833 22.616 -10.814 1.00 64.40 H new ATOM 0 HB3 LEU A 84 -1.803 21.414 -11.643 1.00 64.40 H new ATOM 0 HG LEU A 84 -2.623 23.100 -9.265 1.00 60.23 H new ATOM 0 HD11 LEU A 84 -4.314 23.970 -10.832 1.00 25.35 H new ATOM 0 HD12 LEU A 84 -2.660 24.259 -11.420 1.00 25.35 H new ATOM 0 HD13 LEU A 84 -3.638 22.948 -12.123 1.00 25.35 H new ATOM 0 HD21 LEU A 84 -4.819 21.994 -9.442 1.00 12.44 H new ATOM 0 HD22 LEU A 84 -4.161 20.896 -10.679 1.00 12.44 H new ATOM 0 HD23 LEU A 84 -3.532 20.841 -9.015 1.00 12.44 H new ATOM 1401 N GLU A 85 0.330 18.774 -10.127 1.00 73.44 N ATOM 1402 CA GLU A 85 1.380 17.971 -10.743 1.00 3.41 C ATOM 1403 C GLU A 85 0.838 16.618 -11.194 1.00 51.32 C ATOM 1404 O GLU A 85 0.292 15.860 -10.394 1.00 73.31 O ATOM 1405 CB GLU A 85 2.538 17.768 -9.763 1.00 53.00 C ATOM 1406 CG GLU A 85 3.410 19.000 -9.587 1.00 70.33 C ATOM 1407 CD GLU A 85 4.827 18.656 -9.170 1.00 12.52 C ATOM 1408 OE1 GLU A 85 5.075 18.544 -7.951 1.00 35.51 O ATOM 1409 OE2 GLU A 85 5.687 18.501 -10.061 1.00 44.21 O ATOM 0 H GLU A 85 -0.211 18.286 -9.413 1.00 73.44 H new ATOM 0 HA GLU A 85 1.744 18.507 -11.620 1.00 3.41 H new ATOM 0 HB2 GLU A 85 2.135 17.477 -8.793 1.00 53.00 H new ATOM 0 HB3 GLU A 85 3.157 16.942 -10.112 1.00 53.00 H new ATOM 0 HG2 GLU A 85 3.436 19.559 -10.522 1.00 70.33 H new ATOM 0 HG3 GLU A 85 2.963 19.653 -8.838 1.00 70.33 H new TER 1416 GLU A 85