USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 610 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 69 SER OG : rot -81:sc= 2.01 USER MOD Set 1.2: A 71 THR OG1 : rot -82:sc= 1.24 USER MOD Set 2.1: A 45 MET CE :methyl 162:sc= -0.0849 (180deg=0) USER MOD Set 2.2: A 50 GLN : amide:sc= -0.128 X(o=-0.21,f=-0.64) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.0415 USER MOD Single : A 16 GLN : amide:sc= -0.495 K(o=-0.49,f=-2.9!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= 0.258 X(o=0.26,f=-0.11) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 180:sc= -1.05 USER MOD Single : A 37 SER OG : rot 180:sc= 0.122 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 MET CE :methyl 176:sc= -9.13! (180deg=-9.28!) USER MOD Single : A 51 ASN : amide:sc= -0.835 K(o=-0.83,f=-0.13) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.0218 USER MOD Single : A 58 GLN : amide:sc= -0.952 K(o=-0.95,f=-2.2!) USER MOD Single : A 60 MET CE :methyl 168:sc= 0 (180deg=-0.0812) USER MOD Single : A 80 MET CE :methyl -152:sc= -6.28! (180deg=-9.18!) USER MOD Single : A 81 MET CE :methyl -153:sc= -0.748 (180deg=-2.85!) USER MOD Single : A 84 SER OG : rot 113:sc= 0.0056 USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 44 N TYR A 5 71.186 12.240 1.503 1.00 0.88 N ATOM 45 CA TYR A 5 71.542 11.143 0.556 1.00 0.86 C ATOM 46 C TYR A 5 70.734 11.278 -0.738 1.00 0.78 C ATOM 47 O TYR A 5 71.205 10.956 -1.811 1.00 0.79 O ATOM 48 CB TYR A 5 71.171 9.854 1.289 1.00 1.02 C ATOM 49 CG TYR A 5 71.738 9.890 2.687 1.00 1.22 C ATOM 50 CD1 TYR A 5 73.119 9.771 2.886 1.00 1.94 C ATOM 51 CD2 TYR A 5 70.884 10.043 3.786 1.00 1.64 C ATOM 52 CE1 TYR A 5 73.646 9.806 4.182 1.00 2.20 C ATOM 53 CE2 TYR A 5 71.411 10.077 5.083 1.00 1.80 C ATOM 54 CZ TYR A 5 72.793 9.958 5.281 1.00 1.77 C ATOM 55 OH TYR A 5 73.312 9.990 6.559 1.00 2.07 O ATOM 0 HA TYR A 5 72.595 11.164 0.275 1.00 0.86 H new ATOM 0 HB2 TYR A 5 70.087 9.744 1.327 1.00 1.02 H new ATOM 0 HB3 TYR A 5 71.560 8.991 0.749 1.00 1.02 H new ATOM 0 HD1 TYR A 5 73.778 9.652 2.039 1.00 1.94 H new ATOM 0 HD2 TYR A 5 69.819 10.135 3.633 1.00 1.64 H new ATOM 0 HE1 TYR A 5 74.711 9.716 4.334 1.00 2.20 H new ATOM 0 HE2 TYR A 5 70.752 10.195 5.931 1.00 1.80 H new ATOM 0 HH TYR A 5 72.584 10.102 7.205 1.00 2.07 H new ATOM 65 N LYS A 6 69.521 11.753 -0.646 1.00 0.89 N ATOM 66 CA LYS A 6 68.687 11.909 -1.872 1.00 1.01 C ATOM 67 C LYS A 6 69.504 12.564 -2.989 1.00 0.98 C ATOM 68 O LYS A 6 69.605 12.047 -4.083 1.00 1.00 O ATOM 69 CB LYS A 6 67.530 12.815 -1.450 1.00 1.28 C ATOM 70 CG LYS A 6 66.323 12.556 -2.354 1.00 1.60 C ATOM 71 CD LYS A 6 66.373 13.502 -3.555 1.00 2.04 C ATOM 72 CE LYS A 6 65.401 14.662 -3.333 1.00 2.60 C ATOM 73 NZ LYS A 6 65.730 15.647 -4.400 1.00 3.24 N ATOM 0 H LYS A 6 69.072 12.039 0.224 1.00 0.89 H new ATOM 0 HA LYS A 6 68.336 10.952 -2.257 1.00 1.01 H new ATOM 0 HB2 LYS A 6 67.266 12.625 -0.410 1.00 1.28 H new ATOM 0 HB3 LYS A 6 67.830 13.861 -1.517 1.00 1.28 H new ATOM 0 HG2 LYS A 6 66.325 11.520 -2.693 1.00 1.60 H new ATOM 0 HG3 LYS A 6 65.399 12.707 -1.797 1.00 1.60 H new ATOM 0 HD2 LYS A 6 67.385 13.883 -3.689 1.00 2.04 H new ATOM 0 HD3 LYS A 6 66.111 12.964 -4.466 1.00 2.04 H new ATOM 0 HE2 LYS A 6 64.366 14.330 -3.408 1.00 2.60 H new ATOM 0 HE3 LYS A 6 65.525 15.097 -2.341 1.00 2.60 H new ATOM 0 HZ1 LYS A 6 65.104 16.473 -4.314 1.00 3.24 H new ATOM 0 HZ2 LYS A 6 66.720 15.950 -4.299 1.00 3.24 H new ATOM 0 HZ3 LYS A 6 65.596 15.206 -5.332 1.00 3.24 H new ATOM 87 N ALA A 7 70.086 13.700 -2.721 1.00 1.07 N ATOM 88 CA ALA A 7 70.896 14.390 -3.766 1.00 1.20 C ATOM 89 C ALA A 7 71.807 13.385 -4.479 1.00 1.08 C ATOM 90 O ALA A 7 72.065 13.497 -5.661 1.00 1.19 O ATOM 91 CB ALA A 7 71.728 15.423 -3.005 1.00 1.36 C ATOM 0 H ALA A 7 70.036 14.181 -1.823 1.00 1.07 H new ATOM 0 HA ALA A 7 70.274 14.853 -4.532 1.00 1.20 H new ATOM 0 HB1 ALA A 7 72.354 15.975 -3.707 1.00 1.36 H new ATOM 0 HB2 ALA A 7 71.064 16.116 -2.489 1.00 1.36 H new ATOM 0 HB3 ALA A 7 72.360 14.916 -2.276 1.00 1.36 H new ATOM 97 N ALA A 8 72.296 12.406 -3.768 1.00 0.95 N ATOM 98 CA ALA A 8 73.190 11.397 -4.406 1.00 0.96 C ATOM 99 C ALA A 8 72.367 10.407 -5.234 1.00 0.90 C ATOM 100 O ALA A 8 72.655 10.157 -6.387 1.00 1.01 O ATOM 101 CB ALA A 8 73.877 10.685 -3.241 1.00 0.98 C ATOM 0 H ALA A 8 72.116 12.261 -2.775 1.00 0.95 H new ATOM 0 HA ALA A 8 73.910 11.853 -5.085 1.00 0.96 H new ATOM 0 HB1 ALA A 8 74.554 9.924 -3.628 1.00 0.98 H new ATOM 0 HB2 ALA A 8 74.442 11.409 -2.654 1.00 0.98 H new ATOM 0 HB3 ALA A 8 73.125 10.213 -2.608 1.00 0.98 H new ATOM 107 N VAL A 9 71.343 9.842 -4.654 1.00 0.83 N ATOM 108 CA VAL A 9 70.504 8.868 -5.411 1.00 0.82 C ATOM 109 C VAL A 9 69.937 9.526 -6.672 1.00 0.97 C ATOM 110 O VAL A 9 69.487 8.859 -7.582 1.00 1.02 O ATOM 111 CB VAL A 9 69.376 8.484 -4.452 1.00 0.84 C ATOM 112 CG1 VAL A 9 68.277 7.753 -5.225 1.00 1.05 C ATOM 113 CG2 VAL A 9 69.926 7.566 -3.359 1.00 0.70 C ATOM 0 H VAL A 9 71.051 10.012 -3.691 1.00 0.83 H new ATOM 0 HA VAL A 9 71.075 7.998 -5.736 1.00 0.82 H new ATOM 0 HB VAL A 9 68.964 9.385 -3.997 1.00 0.84 H new ATOM 0 HG11 VAL A 9 67.473 7.479 -4.542 1.00 1.05 H new ATOM 0 HG12 VAL A 9 67.885 8.406 -6.005 1.00 1.05 H new ATOM 0 HG13 VAL A 9 68.690 6.852 -5.680 1.00 1.05 H new ATOM 0 HG21 VAL A 9 69.122 7.292 -2.675 1.00 0.70 H new ATOM 0 HG22 VAL A 9 70.338 6.665 -3.814 1.00 0.70 H new ATOM 0 HG23 VAL A 9 70.710 8.086 -2.808 1.00 0.70 H new ATOM 123 N GLU A 10 69.959 10.830 -6.734 1.00 1.12 N ATOM 124 CA GLU A 10 69.426 11.528 -7.934 1.00 1.32 C ATOM 125 C GLU A 10 70.516 11.607 -9.012 1.00 1.37 C ATOM 126 O GLU A 10 70.233 11.664 -10.192 1.00 1.56 O ATOM 127 CB GLU A 10 69.031 12.921 -7.421 1.00 1.51 C ATOM 128 CG GLU A 10 69.215 13.969 -8.520 1.00 1.80 C ATOM 129 CD GLU A 10 68.246 13.683 -9.668 1.00 2.02 C ATOM 130 OE1 GLU A 10 67.186 13.142 -9.402 1.00 2.28 O ATOM 131 OE2 GLU A 10 68.582 14.009 -10.796 1.00 2.61 O ATOM 0 H GLU A 10 70.324 11.441 -6.003 1.00 1.12 H new ATOM 0 HA GLU A 10 68.579 11.018 -8.392 1.00 1.32 H new ATOM 0 HB2 GLU A 10 67.993 12.912 -7.089 1.00 1.51 H new ATOM 0 HB3 GLU A 10 69.640 13.182 -6.556 1.00 1.51 H new ATOM 0 HG2 GLU A 10 69.036 14.967 -8.119 1.00 1.80 H new ATOM 0 HG3 GLU A 10 70.242 13.952 -8.885 1.00 1.80 H new ATOM 138 N GLN A 11 71.759 11.608 -8.612 1.00 1.29 N ATOM 139 CA GLN A 11 72.864 11.679 -9.611 1.00 1.45 C ATOM 140 C GLN A 11 73.257 10.270 -10.063 1.00 1.35 C ATOM 141 O GLN A 11 74.158 10.091 -10.858 1.00 1.53 O ATOM 142 CB GLN A 11 74.024 12.347 -8.870 1.00 1.61 C ATOM 143 CG GLN A 11 74.222 13.767 -9.404 1.00 2.13 C ATOM 144 CD GLN A 11 74.525 14.714 -8.240 1.00 2.44 C ATOM 145 OE1 GLN A 11 75.521 14.561 -7.561 1.00 2.96 O ATOM 146 NE2 GLN A 11 73.700 15.691 -7.979 1.00 2.71 N ATOM 0 H GLN A 11 72.057 11.563 -7.638 1.00 1.29 H new ATOM 0 HA GLN A 11 72.579 12.232 -10.506 1.00 1.45 H new ATOM 0 HB2 GLN A 11 73.818 12.375 -7.800 1.00 1.61 H new ATOM 0 HB3 GLN A 11 74.937 11.767 -9.003 1.00 1.61 H new ATOM 0 HG2 GLN A 11 75.040 13.785 -10.124 1.00 2.13 H new ATOM 0 HG3 GLN A 11 73.327 14.097 -9.931 1.00 2.13 H new ATOM 0 HE21 GLN A 11 72.864 15.819 -8.549 1.00 2.71 H new ATOM 0 HE22 GLN A 11 73.891 16.327 -7.205 1.00 2.71 H new ATOM 155 N LEU A 12 72.589 9.268 -9.560 1.00 1.18 N ATOM 156 CA LEU A 12 72.925 7.871 -9.959 1.00 1.21 C ATOM 157 C LEU A 12 72.718 7.681 -11.464 1.00 1.11 C ATOM 158 O LEU A 12 71.995 8.424 -12.100 1.00 1.25 O ATOM 159 CB LEU A 12 71.952 6.988 -9.174 1.00 1.32 C ATOM 160 CG LEU A 12 72.541 6.666 -7.799 1.00 1.38 C ATOM 161 CD1 LEU A 12 71.631 5.674 -7.075 1.00 1.49 C ATOM 162 CD2 LEU A 12 73.929 6.045 -7.973 1.00 1.68 C ATOM 0 H LEU A 12 71.825 9.356 -8.890 1.00 1.18 H new ATOM 0 HA LEU A 12 73.966 7.625 -9.747 1.00 1.21 H new ATOM 0 HB2 LEU A 12 70.995 7.497 -9.060 1.00 1.32 H new ATOM 0 HB3 LEU A 12 71.759 6.066 -9.723 1.00 1.32 H new ATOM 0 HG LEU A 12 72.621 7.582 -7.214 1.00 1.38 H new ATOM 0 HD11 LEU A 12 72.050 5.444 -6.095 1.00 1.49 H new ATOM 0 HD12 LEU A 12 70.640 6.112 -6.952 1.00 1.49 H new ATOM 0 HD13 LEU A 12 71.553 4.758 -7.660 1.00 1.49 H new ATOM 0 HD21 LEU A 12 74.350 5.815 -6.994 1.00 1.68 H new ATOM 0 HD22 LEU A 12 73.847 5.128 -8.557 1.00 1.68 H new ATOM 0 HD23 LEU A 12 74.580 6.749 -8.492 1.00 1.68 H new ATOM 174 N THR A 13 73.342 6.690 -12.038 1.00 1.05 N ATOM 175 CA THR A 13 73.180 6.449 -13.500 1.00 1.13 C ATOM 176 C THR A 13 72.069 5.422 -13.741 1.00 0.94 C ATOM 177 O THR A 13 71.778 4.600 -12.896 1.00 0.87 O ATOM 178 CB THR A 13 74.529 5.900 -13.964 1.00 1.38 C ATOM 179 OG1 THR A 13 74.872 4.767 -13.178 1.00 1.89 O ATOM 180 CG2 THR A 13 75.604 6.977 -13.806 1.00 1.68 C ATOM 0 H THR A 13 73.959 6.035 -11.557 1.00 1.05 H new ATOM 0 HA THR A 13 72.903 7.353 -14.042 1.00 1.13 H new ATOM 0 HB THR A 13 74.462 5.610 -15.012 1.00 1.38 H new ATOM 0 HG1 THR A 13 75.736 4.412 -13.475 1.00 1.89 H new ATOM 0 HG21 THR A 13 76.565 6.583 -14.137 1.00 1.68 H new ATOM 0 HG22 THR A 13 75.340 7.846 -14.409 1.00 1.68 H new ATOM 0 HG23 THR A 13 75.674 7.270 -12.759 1.00 1.68 H new ATOM 188 N GLU A 14 71.447 5.463 -14.887 1.00 0.94 N ATOM 189 CA GLU A 14 70.357 4.488 -15.178 1.00 0.90 C ATOM 190 C GLU A 14 70.821 3.063 -14.863 1.00 0.82 C ATOM 191 O GLU A 14 70.023 2.172 -14.650 1.00 0.82 O ATOM 192 CB GLU A 14 70.076 4.641 -16.673 1.00 1.05 C ATOM 193 CG GLU A 14 68.660 5.182 -16.876 1.00 2.10 C ATOM 194 CD GLU A 14 68.438 6.388 -15.962 1.00 2.64 C ATOM 195 OE1 GLU A 14 69.170 7.355 -16.100 1.00 2.91 O ATOM 196 OE2 GLU A 14 67.539 6.326 -15.140 1.00 3.31 O ATOM 0 H GLU A 14 71.646 6.128 -15.634 1.00 0.94 H new ATOM 0 HA GLU A 14 69.468 4.673 -14.575 1.00 0.90 H new ATOM 0 HB2 GLU A 14 70.803 5.318 -17.123 1.00 1.05 H new ATOM 0 HB3 GLU A 14 70.184 3.679 -17.174 1.00 1.05 H new ATOM 0 HG2 GLU A 14 68.515 5.470 -17.917 1.00 2.10 H new ATOM 0 HG3 GLU A 14 67.928 4.405 -16.655 1.00 2.10 H new ATOM 203 N GLU A 15 72.107 2.840 -14.836 1.00 0.92 N ATOM 204 CA GLU A 15 72.622 1.473 -14.539 1.00 1.01 C ATOM 205 C GLU A 15 72.428 1.135 -13.057 1.00 0.90 C ATOM 206 O GLU A 15 72.164 0.004 -12.699 1.00 0.89 O ATOM 207 CB GLU A 15 74.110 1.529 -14.883 1.00 1.23 C ATOM 208 CG GLU A 15 74.440 0.439 -15.905 1.00 1.92 C ATOM 209 CD GLU A 15 75.550 0.930 -16.836 1.00 2.37 C ATOM 210 OE1 GLU A 15 75.759 2.131 -16.893 1.00 2.80 O ATOM 211 OE2 GLU A 15 76.172 0.098 -17.476 1.00 2.90 O ATOM 0 H GLU A 15 72.823 3.546 -15.007 1.00 0.92 H new ATOM 0 HA GLU A 15 72.097 0.705 -15.107 1.00 1.01 H new ATOM 0 HB2 GLU A 15 74.364 2.509 -15.286 1.00 1.23 H new ATOM 0 HB3 GLU A 15 74.708 1.390 -13.982 1.00 1.23 H new ATOM 0 HG2 GLU A 15 74.756 -0.470 -15.393 1.00 1.92 H new ATOM 0 HG3 GLU A 15 73.551 0.187 -16.483 1.00 1.92 H new ATOM 218 N GLN A 16 72.556 2.105 -12.193 1.00 0.89 N ATOM 219 CA GLN A 16 72.379 1.834 -10.738 1.00 0.87 C ATOM 220 C GLN A 16 70.890 1.751 -10.389 1.00 0.68 C ATOM 221 O GLN A 16 70.458 0.866 -9.679 1.00 0.67 O ATOM 222 CB GLN A 16 73.032 3.024 -10.033 1.00 0.97 C ATOM 223 CG GLN A 16 74.301 2.560 -9.315 1.00 1.77 C ATOM 224 CD GLN A 16 75.291 2.000 -10.338 1.00 2.15 C ATOM 225 OE1 GLN A 16 75.136 0.889 -10.806 1.00 2.42 O ATOM 226 NE2 GLN A 16 76.311 2.726 -10.707 1.00 2.61 N ATOM 0 H GLN A 16 72.775 3.072 -12.431 1.00 0.89 H new ATOM 0 HA GLN A 16 72.825 0.886 -10.437 1.00 0.87 H new ATOM 0 HB2 GLN A 16 73.275 3.801 -10.758 1.00 0.97 H new ATOM 0 HB3 GLN A 16 72.336 3.462 -9.317 1.00 0.97 H new ATOM 0 HG2 GLN A 16 74.752 3.393 -8.776 1.00 1.77 H new ATOM 0 HG3 GLN A 16 74.055 1.797 -8.576 1.00 1.77 H new ATOM 0 HE21 GLN A 16 76.442 3.658 -10.315 1.00 2.61 H new ATOM 0 HE22 GLN A 16 76.977 2.361 -11.388 1.00 2.61 H new ATOM 235 N LYS A 17 70.104 2.668 -10.882 1.00 0.63 N ATOM 236 CA LYS A 17 68.643 2.641 -10.577 1.00 0.62 C ATOM 237 C LYS A 17 68.013 1.353 -11.114 1.00 0.60 C ATOM 238 O LYS A 17 67.265 0.684 -10.429 1.00 0.66 O ATOM 239 CB LYS A 17 68.066 3.861 -11.295 1.00 0.74 C ATOM 240 CG LYS A 17 68.896 5.098 -10.948 1.00 1.21 C ATOM 241 CD LYS A 17 68.058 6.356 -11.184 1.00 1.31 C ATOM 242 CE LYS A 17 68.687 7.538 -10.444 1.00 1.43 C ATOM 243 NZ LYS A 17 68.010 8.742 -11.000 1.00 2.06 N ATOM 0 H LYS A 17 70.408 3.434 -11.482 1.00 0.63 H new ATOM 0 HA LYS A 17 68.445 2.667 -9.506 1.00 0.62 H new ATOM 0 HB2 LYS A 17 68.071 3.698 -12.373 1.00 0.74 H new ATOM 0 HB3 LYS A 17 67.028 4.012 -11.000 1.00 0.74 H new ATOM 0 HG2 LYS A 17 69.219 5.053 -9.908 1.00 1.21 H new ATOM 0 HG3 LYS A 17 69.797 5.128 -11.560 1.00 1.21 H new ATOM 0 HD2 LYS A 17 68.000 6.571 -12.251 1.00 1.31 H new ATOM 0 HD3 LYS A 17 67.038 6.196 -10.835 1.00 1.31 H new ATOM 0 HE2 LYS A 17 68.531 7.459 -9.368 1.00 1.43 H new ATOM 0 HE3 LYS A 17 69.764 7.579 -10.608 1.00 1.43 H new ATOM 0 HZ1 LYS A 17 68.388 9.596 -10.541 1.00 2.06 H new ATOM 0 HZ2 LYS A 17 68.181 8.795 -12.024 1.00 2.06 H new ATOM 0 HZ3 LYS A 17 66.987 8.678 -10.823 1.00 2.06 H new ATOM 257 N ASN A 18 68.308 1.003 -12.335 1.00 0.70 N ATOM 258 CA ASN A 18 67.725 -0.240 -12.916 1.00 0.85 C ATOM 259 C ASN A 18 68.072 -1.447 -12.040 1.00 0.70 C ATOM 260 O ASN A 18 67.265 -2.334 -11.839 1.00 0.66 O ATOM 261 CB ASN A 18 68.372 -0.376 -14.294 1.00 1.11 C ATOM 262 CG ASN A 18 67.386 0.084 -15.370 1.00 1.68 C ATOM 263 OD1 ASN A 18 66.290 -0.431 -15.465 1.00 2.15 O ATOM 264 ND2 ASN A 18 67.732 1.038 -16.190 1.00 2.13 N ATOM 0 H ASN A 18 68.927 1.523 -12.956 1.00 0.70 H new ATOM 0 HA ASN A 18 66.638 -0.195 -12.979 1.00 0.85 H new ATOM 0 HB2 ASN A 18 69.282 0.222 -14.340 1.00 1.11 H new ATOM 0 HB3 ASN A 18 68.662 -1.412 -14.471 1.00 1.11 H new ATOM 0 HD21 ASN A 18 67.082 1.351 -16.911 1.00 2.13 H new ATOM 0 HD22 ASN A 18 68.652 1.470 -16.110 1.00 2.13 H new ATOM 271 N GLU A 19 69.267 -1.489 -11.518 1.00 0.76 N ATOM 272 CA GLU A 19 69.665 -2.639 -10.657 1.00 0.79 C ATOM 273 C GLU A 19 68.947 -2.568 -9.307 1.00 0.65 C ATOM 274 O GLU A 19 68.432 -3.553 -8.816 1.00 0.66 O ATOM 275 CB GLU A 19 71.176 -2.490 -10.470 1.00 0.98 C ATOM 276 CG GLU A 19 71.891 -3.654 -11.158 1.00 1.21 C ATOM 277 CD GLU A 19 73.156 -4.012 -10.375 1.00 1.82 C ATOM 278 OE1 GLU A 19 73.578 -3.201 -9.567 1.00 2.44 O ATOM 279 OE2 GLU A 19 73.682 -5.089 -10.599 1.00 2.53 O ATOM 0 H GLU A 19 69.985 -0.777 -11.650 1.00 0.76 H new ATOM 0 HA GLU A 19 69.401 -3.598 -11.104 1.00 0.79 H new ATOM 0 HB2 GLU A 19 71.514 -1.542 -10.890 1.00 0.98 H new ATOM 0 HB3 GLU A 19 71.422 -2.474 -9.408 1.00 0.98 H new ATOM 0 HG2 GLU A 19 71.229 -4.518 -11.215 1.00 1.21 H new ATOM 0 HG3 GLU A 19 72.149 -3.382 -12.182 1.00 1.21 H new ATOM 286 N PHE A 20 68.909 -1.413 -8.702 1.00 0.67 N ATOM 287 CA PHE A 20 68.222 -1.285 -7.385 1.00 0.75 C ATOM 288 C PHE A 20 66.709 -1.433 -7.563 1.00 0.66 C ATOM 289 O PHE A 20 66.113 -2.389 -7.107 1.00 0.79 O ATOM 290 CB PHE A 20 68.572 0.120 -6.887 1.00 0.97 C ATOM 291 CG PHE A 20 70.075 0.269 -6.776 1.00 1.44 C ATOM 292 CD1 PHE A 20 70.895 -0.867 -6.711 1.00 2.35 C ATOM 293 CD2 PHE A 20 70.649 1.546 -6.738 1.00 2.24 C ATOM 294 CE1 PHE A 20 72.284 -0.723 -6.607 1.00 3.36 C ATOM 295 CE2 PHE A 20 72.037 1.689 -6.635 1.00 3.29 C ATOM 296 CZ PHE A 20 72.854 0.555 -6.569 1.00 3.69 C ATOM 0 H PHE A 20 69.323 -0.553 -9.062 1.00 0.67 H new ATOM 0 HA PHE A 20 68.535 -2.054 -6.679 1.00 0.75 H new ATOM 0 HB2 PHE A 20 68.174 0.868 -7.573 1.00 0.97 H new ATOM 0 HB3 PHE A 20 68.108 0.297 -5.917 1.00 0.97 H new ATOM 0 HD1 PHE A 20 70.455 -1.853 -6.741 1.00 2.35 H new ATOM 0 HD2 PHE A 20 70.019 2.422 -6.788 1.00 2.24 H new ATOM 0 HE1 PHE A 20 72.915 -1.598 -6.556 1.00 3.36 H new ATOM 0 HE2 PHE A 20 72.478 2.675 -6.606 1.00 3.29 H new ATOM 0 HZ PHE A 20 73.925 0.666 -6.489 1.00 3.69 H new ATOM 306 N LYS A 21 66.083 -0.497 -8.223 1.00 0.60 N ATOM 307 CA LYS A 21 64.609 -0.591 -8.429 1.00 0.65 C ATOM 308 C LYS A 21 64.225 -2.018 -8.829 1.00 0.57 C ATOM 309 O LYS A 21 63.300 -2.596 -8.293 1.00 0.57 O ATOM 310 CB LYS A 21 64.304 0.384 -9.565 1.00 0.78 C ATOM 311 CG LYS A 21 64.015 1.769 -8.985 1.00 1.27 C ATOM 312 CD LYS A 21 64.995 2.785 -9.578 1.00 1.58 C ATOM 313 CE LYS A 21 64.234 3.768 -10.472 1.00 2.42 C ATOM 314 NZ LYS A 21 64.328 3.192 -11.843 1.00 2.88 N ATOM 0 H LYS A 21 66.527 0.327 -8.628 1.00 0.60 H new ATOM 0 HA LYS A 21 64.048 -0.350 -7.526 1.00 0.65 H new ATOM 0 HB2 LYS A 21 65.149 0.435 -10.252 1.00 0.78 H new ATOM 0 HB3 LYS A 21 63.447 0.033 -10.140 1.00 0.78 H new ATOM 0 HG2 LYS A 21 62.990 2.063 -9.210 1.00 1.27 H new ATOM 0 HG3 LYS A 21 64.109 1.747 -7.899 1.00 1.27 H new ATOM 0 HD2 LYS A 21 65.505 3.323 -8.779 1.00 1.58 H new ATOM 0 HD3 LYS A 21 65.763 2.271 -10.156 1.00 1.58 H new ATOM 0 HE2 LYS A 21 63.196 3.867 -10.156 1.00 2.42 H new ATOM 0 HE3 LYS A 21 64.676 4.763 -10.431 1.00 2.42 H new ATOM 0 HZ1 LYS A 21 63.829 3.810 -12.514 1.00 2.88 H new ATOM 0 HZ2 LYS A 21 65.328 3.116 -12.120 1.00 2.88 H new ATOM 0 HZ3 LYS A 21 63.893 2.247 -11.853 1.00 2.88 H new ATOM 328 N ALA A 22 64.930 -2.590 -9.766 1.00 0.59 N ATOM 329 CA ALA A 22 64.609 -3.980 -10.199 1.00 0.62 C ATOM 330 C ALA A 22 64.765 -4.944 -9.022 1.00 0.50 C ATOM 331 O ALA A 22 63.821 -5.583 -8.602 1.00 0.50 O ATOM 332 CB ALA A 22 65.628 -4.298 -11.293 1.00 0.76 C ATOM 0 H ALA A 22 65.715 -2.155 -10.251 1.00 0.59 H new ATOM 0 HA ALA A 22 63.584 -4.078 -10.558 1.00 0.62 H new ATOM 0 HB1 ALA A 22 65.458 -5.308 -11.666 1.00 0.76 H new ATOM 0 HB2 ALA A 22 65.518 -3.586 -12.111 1.00 0.76 H new ATOM 0 HB3 ALA A 22 66.636 -4.227 -10.884 1.00 0.76 H new ATOM 338 N ALA A 23 65.949 -5.052 -8.484 1.00 0.50 N ATOM 339 CA ALA A 23 66.161 -5.973 -7.331 1.00 0.53 C ATOM 340 C ALA A 23 65.035 -5.798 -6.310 1.00 0.46 C ATOM 341 O ALA A 23 64.459 -6.756 -5.835 1.00 0.52 O ATOM 342 CB ALA A 23 67.502 -5.552 -6.732 1.00 0.64 C ATOM 0 H ALA A 23 66.778 -4.543 -8.792 1.00 0.50 H new ATOM 0 HA ALA A 23 66.161 -7.022 -7.629 1.00 0.53 H new ATOM 0 HB1 ALA A 23 67.732 -6.184 -5.874 1.00 0.64 H new ATOM 0 HB2 ALA A 23 68.285 -5.659 -7.482 1.00 0.64 H new ATOM 0 HB3 ALA A 23 67.447 -4.512 -6.411 1.00 0.64 H new ATOM 348 N PHE A 24 64.717 -4.579 -5.972 1.00 0.47 N ATOM 349 CA PHE A 24 63.626 -4.339 -4.985 1.00 0.57 C ATOM 350 C PHE A 24 62.370 -5.114 -5.391 1.00 0.48 C ATOM 351 O PHE A 24 61.768 -5.800 -4.590 1.00 0.51 O ATOM 352 CB PHE A 24 63.372 -2.831 -5.041 1.00 0.77 C ATOM 353 CG PHE A 24 62.105 -2.498 -4.291 1.00 0.90 C ATOM 354 CD1 PHE A 24 60.858 -2.811 -4.846 1.00 1.54 C ATOM 355 CD2 PHE A 24 62.177 -1.872 -3.040 1.00 1.58 C ATOM 356 CE1 PHE A 24 59.684 -2.497 -4.151 1.00 1.62 C ATOM 357 CE2 PHE A 24 61.002 -1.560 -2.345 1.00 1.72 C ATOM 358 CZ PHE A 24 59.756 -1.873 -2.900 1.00 1.25 C ATOM 0 H PHE A 24 65.165 -3.738 -6.336 1.00 0.47 H new ATOM 0 HA PHE A 24 63.891 -4.670 -3.981 1.00 0.57 H new ATOM 0 HB2 PHE A 24 64.215 -2.294 -4.606 1.00 0.77 H new ATOM 0 HB3 PHE A 24 63.288 -2.505 -6.078 1.00 0.77 H new ATOM 0 HD1 PHE A 24 60.802 -3.295 -5.810 1.00 1.54 H new ATOM 0 HD2 PHE A 24 63.138 -1.630 -2.612 1.00 1.58 H new ATOM 0 HE1 PHE A 24 58.722 -2.736 -4.580 1.00 1.62 H new ATOM 0 HE2 PHE A 24 61.057 -1.078 -1.380 1.00 1.72 H new ATOM 0 HZ PHE A 24 58.850 -1.633 -2.363 1.00 1.25 H new ATOM 368 N ASP A 25 61.971 -5.009 -6.629 1.00 0.45 N ATOM 369 CA ASP A 25 60.752 -5.740 -7.084 1.00 0.53 C ATOM 370 C ASP A 25 60.959 -7.253 -6.965 1.00 0.52 C ATOM 371 O ASP A 25 60.056 -7.987 -6.614 1.00 0.60 O ATOM 372 CB ASP A 25 60.575 -5.338 -8.550 1.00 0.66 C ATOM 373 CG ASP A 25 59.142 -4.857 -8.779 1.00 0.98 C ATOM 374 OD1 ASP A 25 58.259 -5.695 -8.842 1.00 1.52 O ATOM 375 OD2 ASP A 25 58.952 -3.656 -8.888 1.00 1.55 O ATOM 0 H ASP A 25 62.435 -4.450 -7.345 1.00 0.45 H new ATOM 0 HA ASP A 25 59.877 -5.494 -6.482 1.00 0.53 H new ATOM 0 HB2 ASP A 25 61.280 -4.548 -8.809 1.00 0.66 H new ATOM 0 HB3 ASP A 25 60.793 -6.186 -9.199 1.00 0.66 H new ATOM 380 N ILE A 26 62.140 -7.726 -7.258 1.00 0.50 N ATOM 381 CA ILE A 26 62.403 -9.192 -7.165 1.00 0.63 C ATOM 382 C ILE A 26 62.330 -9.662 -5.710 1.00 0.70 C ATOM 383 O ILE A 26 62.156 -10.832 -5.436 1.00 0.94 O ATOM 384 CB ILE A 26 63.820 -9.374 -7.710 1.00 0.68 C ATOM 385 CG1 ILE A 26 63.903 -8.799 -9.125 1.00 0.72 C ATOM 386 CG2 ILE A 26 64.168 -10.862 -7.744 1.00 0.94 C ATOM 387 CD1 ILE A 26 65.348 -8.402 -9.429 1.00 0.69 C ATOM 0 H ILE A 26 62.935 -7.161 -7.558 1.00 0.50 H new ATOM 0 HA ILE A 26 61.668 -9.774 -7.721 1.00 0.63 H new ATOM 0 HB ILE A 26 64.525 -8.851 -7.064 1.00 0.68 H new ATOM 0 HG12 ILE A 26 63.557 -9.536 -9.850 1.00 0.72 H new ATOM 0 HG13 ILE A 26 63.249 -7.931 -9.216 1.00 0.72 H new ATOM 0 HG21 ILE A 26 65.178 -10.991 -8.133 1.00 0.94 H new ATOM 0 HG22 ILE A 26 64.112 -11.272 -6.736 1.00 0.94 H new ATOM 0 HG23 ILE A 26 63.462 -11.386 -8.388 1.00 0.94 H new ATOM 0 HD11 ILE A 26 65.408 -7.992 -10.437 1.00 0.69 H new ATOM 0 HD12 ILE A 26 65.678 -7.651 -8.711 1.00 0.69 H new ATOM 0 HD13 ILE A 26 65.990 -9.280 -9.355 1.00 0.69 H new ATOM 399 N PHE A 27 62.471 -8.764 -4.773 1.00 0.61 N ATOM 400 CA PHE A 27 62.416 -9.173 -3.339 1.00 0.79 C ATOM 401 C PHE A 27 61.132 -8.664 -2.679 1.00 0.76 C ATOM 402 O PHE A 27 60.698 -9.182 -1.669 1.00 1.03 O ATOM 403 CB PHE A 27 63.644 -8.528 -2.697 1.00 0.91 C ATOM 404 CG PHE A 27 64.795 -9.506 -2.730 1.00 1.45 C ATOM 405 CD1 PHE A 27 64.836 -10.572 -1.824 1.00 2.23 C ATOM 406 CD2 PHE A 27 65.821 -9.347 -3.670 1.00 2.07 C ATOM 407 CE1 PHE A 27 65.902 -11.480 -1.858 1.00 3.07 C ATOM 408 CE2 PHE A 27 66.886 -10.253 -3.704 1.00 2.83 C ATOM 409 CZ PHE A 27 66.927 -11.320 -2.798 1.00 3.21 C ATOM 0 H PHE A 27 62.621 -7.769 -4.937 1.00 0.61 H new ATOM 0 HA PHE A 27 62.414 -10.257 -3.223 1.00 0.79 H new ATOM 0 HB2 PHE A 27 63.911 -7.616 -3.231 1.00 0.91 H new ATOM 0 HB3 PHE A 27 63.423 -8.242 -1.668 1.00 0.91 H new ATOM 0 HD1 PHE A 27 64.045 -10.695 -1.098 1.00 2.23 H new ATOM 0 HD2 PHE A 27 65.790 -8.524 -4.369 1.00 2.07 H new ATOM 0 HE1 PHE A 27 65.933 -12.303 -1.159 1.00 3.07 H new ATOM 0 HE2 PHE A 27 67.677 -10.130 -4.429 1.00 2.83 H new ATOM 0 HZ PHE A 27 67.749 -12.020 -2.824 1.00 3.21 H new ATOM 419 N VAL A 28 60.516 -7.659 -3.240 1.00 0.63 N ATOM 420 CA VAL A 28 59.261 -7.132 -2.638 1.00 0.65 C ATOM 421 C VAL A 28 58.056 -7.888 -3.209 1.00 0.65 C ATOM 422 O VAL A 28 56.939 -7.721 -2.763 1.00 0.74 O ATOM 423 CB VAL A 28 59.239 -5.646 -3.020 1.00 0.68 C ATOM 424 CG1 VAL A 28 57.802 -5.165 -3.232 1.00 1.10 C ATOM 425 CG2 VAL A 28 59.877 -4.838 -1.891 1.00 1.47 C ATOM 0 H VAL A 28 60.827 -7.182 -4.086 1.00 0.63 H new ATOM 0 HA VAL A 28 59.216 -7.260 -1.556 1.00 0.65 H new ATOM 0 HB VAL A 28 59.793 -5.509 -3.948 1.00 0.68 H new ATOM 0 HG11 VAL A 28 57.808 -4.109 -3.502 1.00 1.10 H new ATOM 0 HG12 VAL A 28 57.340 -5.742 -4.033 1.00 1.10 H new ATOM 0 HG13 VAL A 28 57.233 -5.301 -2.312 1.00 1.10 H new ATOM 0 HG21 VAL A 28 59.867 -3.779 -2.151 1.00 1.47 H new ATOM 0 HG22 VAL A 28 59.313 -4.991 -0.971 1.00 1.47 H new ATOM 0 HG23 VAL A 28 60.906 -5.166 -1.745 1.00 1.47 H new ATOM 435 N LEU A 29 58.279 -8.725 -4.182 1.00 0.92 N ATOM 436 CA LEU A 29 57.151 -9.499 -4.769 1.00 0.99 C ATOM 437 C LEU A 29 56.369 -10.197 -3.657 1.00 0.99 C ATOM 438 O LEU A 29 55.175 -10.399 -3.752 1.00 1.10 O ATOM 439 CB LEU A 29 57.820 -10.532 -5.667 1.00 1.43 C ATOM 440 CG LEU A 29 57.277 -10.407 -7.091 1.00 1.74 C ATOM 441 CD1 LEU A 29 57.346 -8.946 -7.539 1.00 2.11 C ATOM 442 CD2 LEU A 29 58.120 -11.268 -8.034 1.00 2.45 C ATOM 0 H LEU A 29 59.193 -8.907 -4.596 1.00 0.92 H new ATOM 0 HA LEU A 29 56.449 -8.869 -5.315 1.00 0.99 H new ATOM 0 HB2 LEU A 29 58.900 -10.384 -5.665 1.00 1.43 H new ATOM 0 HB3 LEU A 29 57.635 -11.535 -5.284 1.00 1.43 H new ATOM 0 HG LEU A 29 56.241 -10.745 -7.115 1.00 1.74 H new ATOM 0 HD11 LEU A 29 56.959 -8.858 -8.554 1.00 2.11 H new ATOM 0 HD12 LEU A 29 56.747 -8.331 -6.868 1.00 2.11 H new ATOM 0 HD13 LEU A 29 58.382 -8.607 -7.515 1.00 2.11 H new ATOM 0 HD21 LEU A 29 57.734 -11.180 -9.050 1.00 2.45 H new ATOM 0 HD22 LEU A 29 59.156 -10.929 -8.009 1.00 2.45 H new ATOM 0 HD23 LEU A 29 58.072 -12.310 -7.717 1.00 2.45 H new ATOM 454 N GLY A 30 57.038 -10.562 -2.599 1.00 1.16 N ATOM 455 CA GLY A 30 56.344 -11.244 -1.472 1.00 1.58 C ATOM 456 C GLY A 30 56.304 -10.303 -0.269 1.00 1.39 C ATOM 457 O GLY A 30 55.929 -10.685 0.821 1.00 1.89 O ATOM 0 H GLY A 30 58.039 -10.417 -2.466 1.00 1.16 H new ATOM 0 HA2 GLY A 30 55.332 -11.522 -1.766 1.00 1.58 H new ATOM 0 HA3 GLY A 30 56.865 -12.166 -1.212 1.00 1.58 H new ATOM 461 N ALA A 31 56.692 -9.073 -0.463 1.00 0.90 N ATOM 462 CA ALA A 31 56.682 -8.097 0.665 1.00 0.95 C ATOM 463 C ALA A 31 55.312 -8.093 1.347 1.00 1.15 C ATOM 464 O ALA A 31 54.451 -8.894 1.041 1.00 1.41 O ATOM 465 CB ALA A 31 56.961 -6.742 0.016 1.00 0.97 C ATOM 0 H ALA A 31 57.016 -8.700 -1.355 1.00 0.90 H new ATOM 0 HA ALA A 31 57.418 -8.342 1.431 1.00 0.95 H new ATOM 0 HB1 ALA A 31 56.970 -5.967 0.782 1.00 0.97 H new ATOM 0 HB2 ALA A 31 57.929 -6.770 -0.483 1.00 0.97 H new ATOM 0 HB3 ALA A 31 56.183 -6.521 -0.714 1.00 0.97 H new ATOM 471 N GLU A 32 55.104 -7.197 2.273 1.00 1.35 N ATOM 472 CA GLU A 32 53.790 -7.143 2.976 1.00 1.90 C ATOM 473 C GLU A 32 53.005 -5.903 2.542 1.00 2.05 C ATOM 474 O GLU A 32 51.796 -5.934 2.422 1.00 2.79 O ATOM 475 CB GLU A 32 54.143 -7.061 4.462 1.00 2.37 C ATOM 476 CG GLU A 32 52.866 -7.177 5.297 1.00 2.44 C ATOM 477 CD GLU A 32 53.039 -6.400 6.603 1.00 2.83 C ATOM 478 OE1 GLU A 32 54.158 -6.332 7.086 1.00 3.29 O ATOM 479 OE2 GLU A 32 52.050 -5.887 7.100 1.00 3.24 O ATOM 0 H GLU A 32 55.786 -6.501 2.573 1.00 1.35 H new ATOM 0 HA GLU A 32 53.165 -8.007 2.750 1.00 1.90 H new ATOM 0 HB2 GLU A 32 54.837 -7.859 4.726 1.00 2.37 H new ATOM 0 HB3 GLU A 32 54.646 -6.118 4.676 1.00 2.37 H new ATOM 0 HG2 GLU A 32 52.016 -6.785 4.738 1.00 2.44 H new ATOM 0 HG3 GLU A 32 52.652 -8.224 5.510 1.00 2.44 H new ATOM 486 N ASP A 33 53.680 -4.811 2.308 1.00 1.80 N ATOM 487 CA ASP A 33 52.967 -3.572 1.883 1.00 2.11 C ATOM 488 C ASP A 33 53.715 -2.895 0.731 1.00 1.47 C ATOM 489 O ASP A 33 53.503 -1.734 0.439 1.00 1.80 O ATOM 490 CB ASP A 33 52.965 -2.675 3.121 1.00 3.12 C ATOM 491 CG ASP A 33 51.933 -3.193 4.125 1.00 3.68 C ATOM 492 OD1 ASP A 33 51.204 -4.108 3.777 1.00 4.09 O ATOM 493 OD2 ASP A 33 51.890 -2.668 5.225 1.00 4.12 O ATOM 0 H ASP A 33 54.693 -4.723 2.392 1.00 1.80 H new ATOM 0 HA ASP A 33 51.958 -3.779 1.525 1.00 2.11 H new ATOM 0 HB2 ASP A 33 53.956 -2.662 3.576 1.00 3.12 H new ATOM 0 HB3 ASP A 33 52.730 -1.649 2.839 1.00 3.12 H new ATOM 498 N GLY A 34 54.586 -3.610 0.073 1.00 1.10 N ATOM 499 CA GLY A 34 55.342 -3.005 -1.060 1.00 1.40 C ATOM 500 C GLY A 34 56.602 -2.319 -0.531 1.00 1.17 C ATOM 501 O GLY A 34 56.989 -1.265 -0.996 1.00 1.39 O ATOM 0 H GLY A 34 54.807 -4.586 0.271 1.00 1.10 H new ATOM 0 HA2 GLY A 34 55.612 -3.775 -1.782 1.00 1.40 H new ATOM 0 HA3 GLY A 34 54.716 -2.283 -1.583 1.00 1.40 H new ATOM 505 N SER A 35 57.248 -2.907 0.439 1.00 0.84 N ATOM 506 CA SER A 35 58.485 -2.288 0.995 1.00 0.70 C ATOM 507 C SER A 35 59.396 -3.368 1.585 1.00 0.67 C ATOM 508 O SER A 35 58.999 -4.503 1.756 1.00 0.80 O ATOM 509 CB SER A 35 57.997 -1.342 2.091 1.00 0.75 C ATOM 510 OG SER A 35 58.945 -0.297 2.266 1.00 1.04 O ATOM 0 H SER A 35 56.973 -3.789 0.870 1.00 0.84 H new ATOM 0 HA SER A 35 59.063 -1.765 0.233 1.00 0.70 H new ATOM 0 HB2 SER A 35 57.026 -0.926 1.823 1.00 0.75 H new ATOM 0 HB3 SER A 35 57.863 -1.887 3.025 1.00 0.75 H new ATOM 0 HG SER A 35 58.634 0.313 2.968 1.00 1.04 H new ATOM 516 N ILE A 36 60.616 -3.024 1.896 1.00 0.69 N ATOM 517 CA ILE A 36 61.552 -4.034 2.477 1.00 0.78 C ATOM 518 C ILE A 36 62.159 -3.506 3.776 1.00 0.71 C ATOM 519 O ILE A 36 62.982 -2.611 3.772 1.00 0.98 O ATOM 520 CB ILE A 36 62.653 -4.262 1.427 1.00 1.00 C ATOM 521 CG1 ILE A 36 62.775 -3.050 0.491 1.00 1.09 C ATOM 522 CG2 ILE A 36 62.317 -5.504 0.604 1.00 1.36 C ATOM 523 CD1 ILE A 36 63.763 -3.369 -0.633 1.00 1.22 C ATOM 0 H ILE A 36 61.006 -2.090 1.774 1.00 0.69 H new ATOM 0 HA ILE A 36 61.034 -4.964 2.712 1.00 0.78 H new ATOM 0 HB ILE A 36 63.603 -4.400 1.944 1.00 1.00 H new ATOM 0 HG12 ILE A 36 61.800 -2.801 0.072 1.00 1.09 H new ATOM 0 HG13 ILE A 36 63.114 -2.178 1.050 1.00 1.09 H new ATOM 0 HG21 ILE A 36 63.095 -5.668 -0.141 1.00 1.36 H new ATOM 0 HG22 ILE A 36 62.256 -6.371 1.262 1.00 1.36 H new ATOM 0 HG23 ILE A 36 61.360 -5.360 0.103 1.00 1.36 H new ATOM 0 HD11 ILE A 36 63.849 -2.509 -1.297 1.00 1.22 H new ATOM 0 HD12 ILE A 36 64.739 -3.597 -0.205 1.00 1.22 H new ATOM 0 HD13 ILE A 36 63.405 -4.229 -1.199 1.00 1.22 H new ATOM 535 N SER A 37 61.763 -4.054 4.890 1.00 0.87 N ATOM 536 CA SER A 37 62.318 -3.587 6.192 1.00 0.87 C ATOM 537 C SER A 37 63.571 -4.391 6.546 1.00 0.76 C ATOM 538 O SER A 37 63.962 -5.296 5.836 1.00 0.87 O ATOM 539 CB SER A 37 61.204 -3.841 7.209 1.00 1.12 C ATOM 540 OG SER A 37 61.668 -4.739 8.210 1.00 1.52 O ATOM 0 H SER A 37 61.078 -4.807 4.956 1.00 0.87 H new ATOM 0 HA SER A 37 62.612 -2.538 6.168 1.00 0.87 H new ATOM 0 HB2 SER A 37 60.893 -2.901 7.665 1.00 1.12 H new ATOM 0 HB3 SER A 37 60.330 -4.258 6.709 1.00 1.12 H new ATOM 0 HG SER A 37 60.954 -4.900 8.862 1.00 1.52 H new ATOM 546 N THR A 38 64.204 -4.068 7.641 1.00 0.71 N ATOM 547 CA THR A 38 65.431 -4.816 8.042 1.00 0.65 C ATOM 548 C THR A 38 65.230 -6.320 7.829 1.00 0.70 C ATOM 549 O THR A 38 66.174 -7.058 7.630 1.00 1.37 O ATOM 550 CB THR A 38 65.634 -4.502 9.527 1.00 0.76 C ATOM 551 OG1 THR A 38 66.457 -5.502 10.111 1.00 1.55 O ATOM 552 CG2 THR A 38 64.282 -4.474 10.236 1.00 1.00 C ATOM 0 H THR A 38 63.925 -3.319 8.275 1.00 0.71 H new ATOM 0 HA THR A 38 66.298 -4.525 7.449 1.00 0.65 H new ATOM 0 HB THR A 38 66.114 -3.529 9.630 1.00 0.76 H new ATOM 0 HG1 THR A 38 66.590 -5.303 11.061 1.00 1.55 H new ATOM 0 HG21 THR A 38 64.430 -4.250 11.293 1.00 1.00 H new ATOM 0 HG22 THR A 38 63.652 -3.706 9.787 1.00 1.00 H new ATOM 0 HG23 THR A 38 63.798 -5.445 10.135 1.00 1.00 H new ATOM 560 N LYS A 39 64.008 -6.781 7.868 1.00 0.60 N ATOM 561 CA LYS A 39 63.754 -8.236 7.666 1.00 0.66 C ATOM 562 C LYS A 39 63.694 -8.565 6.169 1.00 0.64 C ATOM 563 O LYS A 39 63.986 -9.669 5.756 1.00 0.87 O ATOM 564 CB LYS A 39 62.401 -8.500 8.326 1.00 0.81 C ATOM 565 CG LYS A 39 61.918 -9.903 7.958 1.00 1.42 C ATOM 566 CD LYS A 39 62.963 -10.934 8.391 1.00 1.58 C ATOM 567 CE LYS A 39 62.485 -12.337 8.015 1.00 2.15 C ATOM 568 NZ LYS A 39 62.507 -13.106 9.290 1.00 2.80 N ATOM 0 H LYS A 39 63.176 -6.213 8.031 1.00 0.60 H new ATOM 0 HA LYS A 39 64.544 -8.853 8.094 1.00 0.66 H new ATOM 0 HB2 LYS A 39 62.488 -8.406 9.408 1.00 0.81 H new ATOM 0 HB3 LYS A 39 61.674 -7.756 7.999 1.00 0.81 H new ATOM 0 HG2 LYS A 39 60.965 -10.110 8.444 1.00 1.42 H new ATOM 0 HG3 LYS A 39 61.749 -9.970 6.883 1.00 1.42 H new ATOM 0 HD2 LYS A 39 63.918 -10.723 7.910 1.00 1.58 H new ATOM 0 HD3 LYS A 39 63.127 -10.871 9.467 1.00 1.58 H new ATOM 0 HE2 LYS A 39 61.483 -12.311 7.587 1.00 2.15 H new ATOM 0 HE3 LYS A 39 63.138 -12.790 7.269 1.00 2.15 H new ATOM 0 HZ1 LYS A 39 62.191 -14.081 9.113 1.00 2.80 H new ATOM 0 HZ2 LYS A 39 63.475 -13.119 9.671 1.00 2.80 H new ATOM 0 HZ3 LYS A 39 61.871 -12.655 9.978 1.00 2.80 H new ATOM 582 N GLU A 40 63.313 -7.617 5.356 1.00 0.63 N ATOM 583 CA GLU A 40 63.230 -7.880 3.893 1.00 0.68 C ATOM 584 C GLU A 40 64.409 -7.223 3.169 1.00 0.66 C ATOM 585 O GLU A 40 64.750 -7.586 2.061 1.00 0.83 O ATOM 586 CB GLU A 40 61.909 -7.245 3.460 1.00 0.86 C ATOM 587 CG GLU A 40 60.953 -8.335 2.978 1.00 1.05 C ATOM 588 CD GLU A 40 61.643 -9.184 1.909 1.00 1.54 C ATOM 589 OE1 GLU A 40 62.535 -8.668 1.257 1.00 2.32 O ATOM 590 OE2 GLU A 40 61.266 -10.335 1.761 1.00 1.92 O ATOM 0 H GLU A 40 63.056 -6.672 5.643 1.00 0.63 H new ATOM 0 HA GLU A 40 63.270 -8.943 3.657 1.00 0.68 H new ATOM 0 HB2 GLU A 40 61.465 -6.700 4.293 1.00 0.86 H new ATOM 0 HB3 GLU A 40 62.085 -6.522 2.663 1.00 0.86 H new ATOM 0 HG2 GLU A 40 60.649 -8.963 3.815 1.00 1.05 H new ATOM 0 HG3 GLU A 40 60.047 -7.885 2.571 1.00 1.05 H new ATOM 597 N LEU A 41 65.035 -6.259 3.788 1.00 0.73 N ATOM 598 CA LEU A 41 66.192 -5.582 3.134 1.00 0.80 C ATOM 599 C LEU A 41 67.456 -6.433 3.287 1.00 0.72 C ATOM 600 O LEU A 41 68.319 -6.440 2.430 1.00 0.81 O ATOM 601 CB LEU A 41 66.349 -4.254 3.876 1.00 1.10 C ATOM 602 CG LEU A 41 66.855 -3.184 2.907 1.00 1.23 C ATOM 603 CD1 LEU A 41 68.212 -3.606 2.340 1.00 1.94 C ATOM 604 CD2 LEU A 41 65.855 -3.021 1.760 1.00 1.83 C ATOM 0 H LEU A 41 64.796 -5.911 4.717 1.00 0.73 H new ATOM 0 HA LEU A 41 66.033 -5.435 2.066 1.00 0.80 H new ATOM 0 HB2 LEU A 41 65.394 -3.949 4.304 1.00 1.10 H new ATOM 0 HB3 LEU A 41 67.048 -4.369 4.705 1.00 1.10 H new ATOM 0 HG LEU A 41 66.961 -2.237 3.437 1.00 1.23 H new ATOM 0 HD11 LEU A 41 68.571 -2.843 1.650 1.00 1.94 H new ATOM 0 HD12 LEU A 41 68.926 -3.723 3.155 1.00 1.94 H new ATOM 0 HD13 LEU A 41 68.107 -4.553 1.811 1.00 1.94 H new ATOM 0 HD21 LEU A 41 66.215 -2.259 1.069 1.00 1.83 H new ATOM 0 HD22 LEU A 41 65.749 -3.969 1.232 1.00 1.83 H new ATOM 0 HD23 LEU A 41 64.887 -2.719 2.161 1.00 1.83 H new ATOM 616 N GLY A 42 67.571 -7.150 4.370 1.00 0.72 N ATOM 617 CA GLY A 42 68.778 -8.000 4.578 1.00 0.91 C ATOM 618 C GLY A 42 69.039 -8.834 3.323 1.00 0.78 C ATOM 619 O GLY A 42 70.050 -8.686 2.667 1.00 0.84 O ATOM 0 H GLY A 42 66.881 -7.185 5.121 1.00 0.72 H new ATOM 0 HA2 GLY A 42 69.643 -7.374 4.798 1.00 0.91 H new ATOM 0 HA3 GLY A 42 68.631 -8.654 5.438 1.00 0.91 H new ATOM 623 N LYS A 43 68.133 -9.709 2.983 1.00 0.77 N ATOM 624 CA LYS A 43 68.330 -10.552 1.768 1.00 0.86 C ATOM 625 C LYS A 43 68.505 -9.665 0.533 1.00 0.79 C ATOM 626 O LYS A 43 69.014 -10.092 -0.484 1.00 0.99 O ATOM 627 CB LYS A 43 67.054 -11.386 1.653 1.00 0.95 C ATOM 628 CG LYS A 43 67.255 -12.730 2.360 1.00 1.34 C ATOM 629 CD LYS A 43 65.906 -13.248 2.860 1.00 2.13 C ATOM 630 CE LYS A 43 66.028 -14.731 3.220 1.00 2.65 C ATOM 631 NZ LYS A 43 65.104 -14.925 4.372 1.00 2.98 N ATOM 0 H LYS A 43 67.266 -9.877 3.493 1.00 0.77 H new ATOM 0 HA LYS A 43 69.220 -11.177 1.839 1.00 0.86 H new ATOM 0 HB2 LYS A 43 66.216 -10.851 2.099 1.00 0.95 H new ATOM 0 HB3 LYS A 43 66.807 -11.549 0.604 1.00 0.95 H new ATOM 0 HG2 LYS A 43 67.702 -13.450 1.675 1.00 1.34 H new ATOM 0 HG3 LYS A 43 67.945 -12.614 3.196 1.00 1.34 H new ATOM 0 HD2 LYS A 43 65.586 -12.677 3.731 1.00 2.13 H new ATOM 0 HD3 LYS A 43 65.145 -13.111 2.092 1.00 2.13 H new ATOM 0 HE2 LYS A 43 65.749 -15.366 2.379 1.00 2.65 H new ATOM 0 HE3 LYS A 43 67.053 -14.989 3.488 1.00 2.65 H new ATOM 0 HZ1 LYS A 43 65.132 -15.919 4.676 1.00 2.98 H new ATOM 0 HZ2 LYS A 43 65.398 -14.313 5.160 1.00 2.98 H new ATOM 0 HZ3 LYS A 43 64.135 -14.678 4.085 1.00 2.98 H new ATOM 645 N VAL A 44 68.086 -8.431 0.613 1.00 0.72 N ATOM 646 CA VAL A 44 68.229 -7.517 -0.557 1.00 0.93 C ATOM 647 C VAL A 44 69.626 -6.892 -0.571 1.00 0.89 C ATOM 648 O VAL A 44 70.104 -6.439 -1.591 1.00 1.06 O ATOM 649 CB VAL A 44 67.162 -6.441 -0.350 1.00 1.18 C ATOM 650 CG1 VAL A 44 67.454 -5.249 -1.263 1.00 1.72 C ATOM 651 CG2 VAL A 44 65.787 -7.016 -0.691 1.00 1.80 C ATOM 0 H VAL A 44 67.651 -8.016 1.437 1.00 0.72 H new ATOM 0 HA VAL A 44 68.105 -8.037 -1.507 1.00 0.93 H new ATOM 0 HB VAL A 44 67.174 -6.114 0.690 1.00 1.18 H new ATOM 0 HG11 VAL A 44 66.693 -4.482 -1.115 1.00 1.72 H new ATOM 0 HG12 VAL A 44 68.435 -4.838 -1.023 1.00 1.72 H new ATOM 0 HG13 VAL A 44 67.442 -5.576 -2.303 1.00 1.72 H new ATOM 0 HG21 VAL A 44 65.026 -6.250 -0.544 1.00 1.80 H new ATOM 0 HG22 VAL A 44 65.777 -7.343 -1.731 1.00 1.80 H new ATOM 0 HG23 VAL A 44 65.577 -7.866 -0.042 1.00 1.80 H new ATOM 661 N MET A 45 70.282 -6.862 0.556 1.00 0.86 N ATOM 662 CA MET A 45 71.647 -6.265 0.608 1.00 1.06 C ATOM 663 C MET A 45 72.685 -7.271 0.104 1.00 1.08 C ATOM 664 O MET A 45 73.644 -6.912 -0.552 1.00 1.14 O ATOM 665 CB MET A 45 71.881 -5.950 2.085 1.00 1.34 C ATOM 666 CG MET A 45 71.746 -4.444 2.313 1.00 1.88 C ATOM 667 SD MET A 45 73.391 -3.692 2.363 1.00 2.45 S ATOM 668 CE MET A 45 73.207 -2.645 0.899 1.00 3.35 C ATOM 0 H MET A 45 69.933 -7.225 1.443 1.00 0.86 H new ATOM 0 HA MET A 45 71.735 -5.378 -0.019 1.00 1.06 H new ATOM 0 HB2 MET A 45 71.160 -6.488 2.701 1.00 1.34 H new ATOM 0 HB3 MET A 45 72.873 -6.287 2.387 1.00 1.34 H new ATOM 0 HG2 MET A 45 71.154 -3.996 1.515 1.00 1.88 H new ATOM 0 HG3 MET A 45 71.218 -4.253 3.247 1.00 1.88 H new ATOM 0 HE1 MET A 45 73.965 -1.862 0.914 1.00 3.35 H new ATOM 0 HE2 MET A 45 73.328 -3.251 0.001 1.00 3.35 H new ATOM 0 HE3 MET A 45 72.216 -2.190 0.899 1.00 3.35 H new ATOM 678 N ARG A 46 72.504 -8.526 0.409 1.00 1.20 N ATOM 679 CA ARG A 46 73.482 -9.554 -0.049 1.00 1.46 C ATOM 680 C ARG A 46 73.203 -9.952 -1.501 1.00 1.52 C ATOM 681 O ARG A 46 73.950 -10.696 -2.104 1.00 1.73 O ATOM 682 CB ARG A 46 73.264 -10.746 0.884 1.00 1.74 C ATOM 683 CG ARG A 46 74.603 -11.435 1.156 1.00 1.93 C ATOM 684 CD ARG A 46 74.982 -11.251 2.627 1.00 2.48 C ATOM 685 NE ARG A 46 75.286 -12.623 3.121 1.00 2.64 N ATOM 686 CZ ARG A 46 74.380 -13.560 3.046 1.00 3.08 C ATOM 687 NH1 ARG A 46 73.137 -13.246 2.805 1.00 3.41 N ATOM 688 NH2 ARG A 46 74.717 -14.809 3.213 1.00 3.64 N ATOM 0 H ARG A 46 71.721 -8.885 0.956 1.00 1.20 H new ATOM 0 HA ARG A 46 74.508 -9.188 -0.017 1.00 1.46 H new ATOM 0 HB2 ARG A 46 72.819 -10.411 1.821 1.00 1.74 H new ATOM 0 HB3 ARG A 46 72.565 -11.451 0.433 1.00 1.74 H new ATOM 0 HG2 ARG A 46 74.533 -12.496 0.917 1.00 1.93 H new ATOM 0 HG3 ARG A 46 75.377 -11.014 0.515 1.00 1.93 H new ATOM 0 HD2 ARG A 46 75.845 -10.593 2.733 1.00 2.48 H new ATOM 0 HD3 ARG A 46 74.166 -10.800 3.191 1.00 2.48 H new ATOM 0 HE ARG A 46 76.202 -12.831 3.518 1.00 2.64 H new ATOM 0 HH11 ARG A 46 72.874 -12.269 2.675 1.00 3.41 H new ATOM 0 HH12 ARG A 46 72.428 -13.977 2.746 1.00 3.41 H new ATOM 0 HH21 ARG A 46 75.689 -15.054 3.402 1.00 3.64 H new ATOM 0 HH22 ARG A 46 74.009 -15.541 3.154 1.00 3.64 H new ATOM 702 N MET A 47 72.133 -9.465 -2.068 1.00 1.46 N ATOM 703 CA MET A 47 71.814 -9.822 -3.481 1.00 1.73 C ATOM 704 C MET A 47 72.653 -8.974 -4.445 1.00 1.75 C ATOM 705 O MET A 47 73.052 -9.425 -5.501 1.00 2.01 O ATOM 706 CB MET A 47 70.314 -9.524 -3.639 1.00 1.70 C ATOM 707 CG MET A 47 70.103 -8.069 -4.071 1.00 1.96 C ATOM 708 SD MET A 47 68.335 -7.690 -4.104 1.00 1.94 S ATOM 709 CE MET A 47 68.024 -8.225 -5.805 1.00 1.52 C ATOM 0 H MET A 47 71.468 -8.838 -1.616 1.00 1.46 H new ATOM 0 HA MET A 47 72.041 -10.863 -3.709 1.00 1.73 H new ATOM 0 HB2 MET A 47 69.879 -10.197 -4.378 1.00 1.70 H new ATOM 0 HB3 MET A 47 69.798 -9.709 -2.697 1.00 1.70 H new ATOM 0 HG2 MET A 47 70.615 -7.398 -3.382 1.00 1.96 H new ATOM 0 HG3 MET A 47 70.538 -7.906 -5.057 1.00 1.96 H new ATOM 0 HE1 MET A 47 66.959 -8.145 -6.023 1.00 1.52 H new ATOM 0 HE2 MET A 47 68.584 -7.592 -6.494 1.00 1.52 H new ATOM 0 HE3 MET A 47 68.342 -9.261 -5.924 1.00 1.52 H new ATOM 719 N LEU A 48 72.917 -7.746 -4.089 1.00 1.60 N ATOM 720 CA LEU A 48 73.724 -6.865 -4.983 1.00 1.69 C ATOM 721 C LEU A 48 75.214 -7.190 -4.841 1.00 1.68 C ATOM 722 O LEU A 48 75.873 -7.550 -5.796 1.00 1.99 O ATOM 723 CB LEU A 48 73.438 -5.438 -4.506 1.00 1.73 C ATOM 724 CG LEU A 48 71.936 -5.255 -4.261 1.00 1.75 C ATOM 725 CD1 LEU A 48 71.639 -3.777 -4.003 1.00 1.86 C ATOM 726 CD2 LEU A 48 71.149 -5.719 -5.491 1.00 2.15 C ATOM 0 H LEU A 48 72.609 -7.314 -3.218 1.00 1.60 H new ATOM 0 HA LEU A 48 73.467 -7.000 -6.034 1.00 1.69 H new ATOM 0 HB2 LEU A 48 73.991 -5.235 -3.589 1.00 1.73 H new ATOM 0 HB3 LEU A 48 73.783 -4.721 -5.251 1.00 1.73 H new ATOM 0 HG LEU A 48 71.640 -5.848 -3.396 1.00 1.75 H new ATOM 0 HD11 LEU A 48 70.571 -3.646 -3.829 1.00 1.86 H new ATOM 0 HD12 LEU A 48 72.194 -3.442 -3.127 1.00 1.86 H new ATOM 0 HD13 LEU A 48 71.940 -3.189 -4.870 1.00 1.86 H new ATOM 0 HD21 LEU A 48 70.082 -5.587 -5.311 1.00 2.15 H new ATOM 0 HD22 LEU A 48 71.447 -5.129 -6.358 1.00 2.15 H new ATOM 0 HD23 LEU A 48 71.357 -6.772 -5.680 1.00 2.15 H new ATOM 738 N GLY A 49 75.747 -7.066 -3.657 1.00 1.63 N ATOM 739 CA GLY A 49 77.194 -7.368 -3.457 1.00 1.87 C ATOM 740 C GLY A 49 77.660 -6.774 -2.127 1.00 1.54 C ATOM 741 O GLY A 49 78.626 -6.040 -2.068 1.00 1.53 O ATOM 0 H GLY A 49 75.245 -6.769 -2.820 1.00 1.63 H new ATOM 0 HA2 GLY A 49 77.356 -8.446 -3.463 1.00 1.87 H new ATOM 0 HA3 GLY A 49 77.780 -6.954 -4.278 1.00 1.87 H new ATOM 745 N GLN A 50 76.981 -7.087 -1.057 1.00 1.37 N ATOM 746 CA GLN A 50 77.388 -6.540 0.270 1.00 1.17 C ATOM 747 C GLN A 50 77.431 -7.659 1.314 1.00 1.24 C ATOM 748 O GLN A 50 77.384 -8.828 0.987 1.00 1.75 O ATOM 749 CB GLN A 50 76.309 -5.518 0.627 1.00 1.29 C ATOM 750 CG GLN A 50 76.327 -4.378 -0.393 1.00 1.28 C ATOM 751 CD GLN A 50 76.935 -3.129 0.245 1.00 1.41 C ATOM 752 OE1 GLN A 50 77.849 -3.223 1.042 1.00 1.89 O ATOM 753 NE2 GLN A 50 76.464 -1.953 -0.070 1.00 1.85 N ATOM 0 H GLN A 50 76.163 -7.697 -1.044 1.00 1.37 H new ATOM 0 HA GLN A 50 78.381 -6.092 0.243 1.00 1.17 H new ATOM 0 HB2 GLN A 50 75.329 -5.996 0.636 1.00 1.29 H new ATOM 0 HB3 GLN A 50 76.482 -5.126 1.629 1.00 1.29 H new ATOM 0 HG2 GLN A 50 76.906 -4.670 -1.269 1.00 1.28 H new ATOM 0 HG3 GLN A 50 75.314 -4.167 -0.736 1.00 1.28 H new ATOM 0 HE21 GLN A 50 75.698 -1.873 -0.738 1.00 1.85 H new ATOM 0 HE22 GLN A 50 76.862 -1.114 0.352 1.00 1.85 H new ATOM 762 N ASN A 51 77.520 -7.309 2.566 1.00 1.18 N ATOM 763 CA ASN A 51 77.566 -8.350 3.631 1.00 1.29 C ATOM 764 C ASN A 51 77.425 -7.699 5.009 1.00 1.07 C ATOM 765 O ASN A 51 78.320 -7.771 5.827 1.00 1.45 O ATOM 766 CB ASN A 51 78.941 -9.005 3.483 1.00 1.96 C ATOM 767 CG ASN A 51 78.803 -10.520 3.635 1.00 2.61 C ATOM 768 OD1 ASN A 51 79.575 -11.272 3.073 1.00 3.07 O ATOM 769 ND2 ASN A 51 77.845 -11.004 4.377 1.00 3.29 N ATOM 0 H ASN A 51 77.563 -6.346 2.899 1.00 1.18 H new ATOM 0 HA ASN A 51 76.758 -9.075 3.538 1.00 1.29 H new ATOM 0 HB2 ASN A 51 79.368 -8.764 2.509 1.00 1.96 H new ATOM 0 HB3 ASN A 51 79.625 -8.614 4.236 1.00 1.96 H new ATOM 0 HD21 ASN A 51 77.744 -12.013 4.485 1.00 3.29 H new ATOM 0 HD22 ASN A 51 77.197 -10.373 4.849 1.00 3.29 H new ATOM 776 N PRO A 52 76.293 -7.083 5.217 1.00 1.47 N ATOM 777 CA PRO A 52 76.018 -6.405 6.508 1.00 2.11 C ATOM 778 C PRO A 52 75.790 -7.435 7.618 1.00 1.79 C ATOM 779 O PRO A 52 75.949 -8.624 7.417 1.00 2.07 O ATOM 780 CB PRO A 52 74.744 -5.611 6.231 1.00 2.97 C ATOM 781 CG PRO A 52 74.079 -6.332 5.102 1.00 2.97 C ATOM 782 CD PRO A 52 75.174 -6.959 4.279 1.00 2.03 C ATOM 0 HA PRO A 52 76.842 -5.776 6.845 1.00 2.11 H new ATOM 0 HB2 PRO A 52 74.101 -5.576 7.111 1.00 2.97 H new ATOM 0 HB3 PRO A 52 74.972 -4.580 5.962 1.00 2.97 H new ATOM 0 HG2 PRO A 52 73.395 -7.093 5.479 1.00 2.97 H new ATOM 0 HG3 PRO A 52 73.488 -5.643 4.498 1.00 2.97 H new ATOM 0 HD2 PRO A 52 74.872 -7.930 3.886 1.00 2.03 H new ATOM 0 HD3 PRO A 52 75.437 -6.337 3.423 1.00 2.03 H new ATOM 790 N THR A 53 75.420 -6.991 8.787 1.00 1.42 N ATOM 791 CA THR A 53 75.186 -7.945 9.908 1.00 1.16 C ATOM 792 C THR A 53 73.740 -7.840 10.401 1.00 0.98 C ATOM 793 O THR A 53 73.052 -6.882 10.107 1.00 0.92 O ATOM 794 CB THR A 53 76.159 -7.515 11.006 1.00 1.19 C ATOM 795 OG1 THR A 53 76.243 -6.096 11.031 1.00 1.40 O ATOM 796 CG2 THR A 53 77.542 -8.105 10.727 1.00 1.36 C ATOM 0 H THR A 53 75.269 -6.008 9.015 1.00 1.42 H new ATOM 0 HA THR A 53 75.344 -8.981 9.607 1.00 1.16 H new ATOM 0 HB THR A 53 75.802 -7.876 11.970 1.00 1.19 H new ATOM 0 HG1 THR A 53 76.865 -5.817 11.735 1.00 1.40 H new ATOM 0 HG21 THR A 53 78.234 -7.797 11.511 1.00 1.36 H new ATOM 0 HG22 THR A 53 77.476 -9.193 10.708 1.00 1.36 H new ATOM 0 HG23 THR A 53 77.903 -7.746 9.763 1.00 1.36 H new ATOM 804 N PRO A 54 73.330 -8.835 11.138 1.00 0.99 N ATOM 805 CA PRO A 54 71.951 -8.863 11.684 1.00 1.04 C ATOM 806 C PRO A 54 71.803 -7.840 12.813 1.00 0.93 C ATOM 807 O PRO A 54 70.712 -7.419 13.144 1.00 0.94 O ATOM 808 CB PRO A 54 71.806 -10.286 12.214 1.00 1.19 C ATOM 809 CG PRO A 54 73.203 -10.739 12.498 1.00 1.18 C ATOM 810 CD PRO A 54 74.105 -10.017 11.530 1.00 1.10 C ATOM 0 HA PRO A 54 71.191 -8.610 10.945 1.00 1.04 H new ATOM 0 HB2 PRO A 54 71.193 -10.311 13.115 1.00 1.19 H new ATOM 0 HB3 PRO A 54 71.323 -10.933 11.481 1.00 1.19 H new ATOM 0 HG2 PRO A 54 73.481 -10.511 13.527 1.00 1.18 H new ATOM 0 HG3 PRO A 54 73.291 -11.819 12.375 1.00 1.18 H new ATOM 0 HD2 PRO A 54 75.050 -9.738 11.997 1.00 1.10 H new ATOM 0 HD3 PRO A 54 74.346 -10.640 10.669 1.00 1.10 H new ATOM 818 N GLU A 55 72.893 -7.438 13.408 1.00 0.98 N ATOM 819 CA GLU A 55 72.815 -6.441 14.516 1.00 1.08 C ATOM 820 C GLU A 55 72.749 -5.021 13.945 1.00 0.97 C ATOM 821 O GLU A 55 72.012 -4.183 14.424 1.00 1.01 O ATOM 822 CB GLU A 55 74.101 -6.638 15.316 1.00 1.28 C ATOM 823 CG GLU A 55 75.298 -6.179 14.481 1.00 2.15 C ATOM 824 CD GLU A 55 76.594 -6.627 15.157 1.00 2.57 C ATOM 825 OE1 GLU A 55 76.556 -6.897 16.346 1.00 2.81 O ATOM 826 OE2 GLU A 55 77.604 -6.693 14.474 1.00 3.14 O ATOM 0 H GLU A 55 73.834 -7.756 13.176 1.00 0.98 H new ATOM 0 HA GLU A 55 71.927 -6.577 15.133 1.00 1.08 H new ATOM 0 HB2 GLU A 55 74.054 -6.071 16.246 1.00 1.28 H new ATOM 0 HB3 GLU A 55 74.215 -7.687 15.588 1.00 1.28 H new ATOM 0 HG2 GLU A 55 75.236 -6.598 13.476 1.00 2.15 H new ATOM 0 HG3 GLU A 55 75.287 -5.094 14.376 1.00 2.15 H new ATOM 833 N GLU A 56 73.517 -4.747 12.925 1.00 0.92 N ATOM 834 CA GLU A 56 73.498 -3.381 12.325 1.00 0.94 C ATOM 835 C GLU A 56 72.335 -3.254 11.338 1.00 0.84 C ATOM 836 O GLU A 56 71.892 -2.168 11.024 1.00 0.94 O ATOM 837 CB GLU A 56 74.836 -3.253 11.595 1.00 1.06 C ATOM 838 CG GLU A 56 75.021 -1.811 11.121 1.00 1.60 C ATOM 839 CD GLU A 56 76.498 -1.563 10.809 1.00 1.83 C ATOM 840 OE1 GLU A 56 77.221 -1.189 11.718 1.00 2.08 O ATOM 841 OE2 GLU A 56 76.881 -1.749 9.666 1.00 2.50 O ATOM 0 H GLU A 56 74.155 -5.408 12.482 1.00 0.92 H new ATOM 0 HA GLU A 56 73.365 -2.601 13.075 1.00 0.94 H new ATOM 0 HB2 GLU A 56 75.653 -3.537 12.258 1.00 1.06 H new ATOM 0 HB3 GLU A 56 74.865 -3.934 10.744 1.00 1.06 H new ATOM 0 HG2 GLU A 56 74.415 -1.628 10.234 1.00 1.60 H new ATOM 0 HG3 GLU A 56 74.679 -1.118 11.889 1.00 1.60 H new ATOM 848 N LEU A 57 71.839 -4.356 10.847 1.00 0.73 N ATOM 849 CA LEU A 57 70.705 -4.298 9.880 1.00 0.78 C ATOM 850 C LEU A 57 69.609 -3.369 10.406 1.00 0.80 C ATOM 851 O LEU A 57 69.129 -2.500 9.704 1.00 0.89 O ATOM 852 CB LEU A 57 70.190 -5.735 9.787 1.00 0.85 C ATOM 853 CG LEU A 57 70.188 -6.184 8.325 1.00 0.84 C ATOM 854 CD1 LEU A 57 69.973 -7.697 8.255 1.00 1.30 C ATOM 855 CD2 LEU A 57 69.056 -5.475 7.577 1.00 1.10 C ATOM 0 H LEU A 57 72.169 -5.294 11.073 1.00 0.73 H new ATOM 0 HA LEU A 57 71.010 -3.910 8.908 1.00 0.78 H new ATOM 0 HB2 LEU A 57 70.820 -6.397 10.381 1.00 0.85 H new ATOM 0 HB3 LEU A 57 69.183 -5.799 10.199 1.00 0.85 H new ATOM 0 HG LEU A 57 71.144 -5.931 7.866 1.00 0.84 H new ATOM 0 HD11 LEU A 57 69.972 -8.016 7.213 1.00 1.30 H new ATOM 0 HD12 LEU A 57 70.777 -8.204 8.789 1.00 1.30 H new ATOM 0 HD13 LEU A 57 69.017 -7.950 8.713 1.00 1.30 H new ATOM 0 HD21 LEU A 57 69.053 -5.794 6.535 1.00 1.10 H new ATOM 0 HD22 LEU A 57 68.101 -5.729 8.037 1.00 1.10 H new ATOM 0 HD23 LEU A 57 69.207 -4.397 7.626 1.00 1.10 H new ATOM 867 N GLN A 58 69.208 -3.544 11.635 1.00 0.81 N ATOM 868 CA GLN A 58 68.142 -2.669 12.203 1.00 0.95 C ATOM 869 C GLN A 58 68.733 -1.323 12.629 1.00 0.99 C ATOM 870 O GLN A 58 68.062 -0.310 12.627 1.00 1.13 O ATOM 871 CB GLN A 58 67.608 -3.429 13.417 1.00 1.09 C ATOM 872 CG GLN A 58 66.573 -2.566 14.142 1.00 1.25 C ATOM 873 CD GLN A 58 65.407 -2.266 13.197 1.00 1.41 C ATOM 874 OE1 GLN A 58 64.445 -3.006 13.145 1.00 1.97 O ATOM 875 NE2 GLN A 58 65.453 -1.202 12.441 1.00 1.74 N ATOM 0 H GLN A 58 69.572 -4.254 12.271 1.00 0.81 H new ATOM 0 HA GLN A 58 67.356 -2.455 11.479 1.00 0.95 H new ATOM 0 HB2 GLN A 58 67.157 -4.370 13.101 1.00 1.09 H new ATOM 0 HB3 GLN A 58 68.426 -3.679 14.092 1.00 1.09 H new ATOM 0 HG2 GLN A 58 66.211 -3.083 15.031 1.00 1.25 H new ATOM 0 HG3 GLN A 58 67.031 -1.636 14.479 1.00 1.25 H new ATOM 0 HE21 GLN A 58 66.260 -0.580 12.484 1.00 1.74 H new ATOM 0 HE22 GLN A 58 64.681 -0.993 11.807 1.00 1.74 H new ATOM 884 N GLU A 59 69.986 -1.305 12.993 1.00 0.97 N ATOM 885 CA GLU A 59 70.619 -0.023 13.419 1.00 1.14 C ATOM 886 C GLU A 59 70.930 0.843 12.195 1.00 1.11 C ATOM 887 O GLU A 59 70.779 2.049 12.222 1.00 1.18 O ATOM 888 CB GLU A 59 71.910 -0.434 14.129 1.00 1.23 C ATOM 889 CG GLU A 59 72.609 0.810 14.677 1.00 1.60 C ATOM 890 CD GLU A 59 74.112 0.547 14.787 1.00 2.19 C ATOM 891 OE1 GLU A 59 74.583 -0.366 14.127 1.00 2.77 O ATOM 892 OE2 GLU A 59 74.767 1.262 15.526 1.00 2.75 O ATOM 0 H GLU A 59 70.598 -2.120 13.014 1.00 0.97 H new ATOM 0 HA GLU A 59 69.969 0.564 14.067 1.00 1.14 H new ATOM 0 HB2 GLU A 59 71.686 -1.126 14.941 1.00 1.23 H new ATOM 0 HB3 GLU A 59 72.568 -0.958 13.436 1.00 1.23 H new ATOM 0 HG2 GLU A 59 72.425 1.661 14.021 1.00 1.60 H new ATOM 0 HG3 GLU A 59 72.202 1.067 15.655 1.00 1.60 H new ATOM 899 N MET A 60 71.365 0.239 11.123 1.00 1.11 N ATOM 900 CA MET A 60 71.684 1.031 9.900 1.00 1.18 C ATOM 901 C MET A 60 70.420 1.716 9.371 1.00 1.13 C ATOM 902 O MET A 60 70.423 2.891 9.066 1.00 1.25 O ATOM 903 CB MET A 60 72.207 0.010 8.890 1.00 1.22 C ATOM 904 CG MET A 60 73.108 0.713 7.872 1.00 1.62 C ATOM 905 SD MET A 60 72.444 0.466 6.205 1.00 1.82 S ATOM 906 CE MET A 60 73.704 1.415 5.317 1.00 2.02 C ATOM 0 H MET A 60 71.513 -0.767 11.041 1.00 1.11 H new ATOM 0 HA MET A 60 72.413 1.818 10.095 1.00 1.18 H new ATOM 0 HB2 MET A 60 72.764 -0.773 9.404 1.00 1.22 H new ATOM 0 HB3 MET A 60 71.373 -0.473 8.381 1.00 1.22 H new ATOM 0 HG2 MET A 60 73.167 1.778 8.097 1.00 1.62 H new ATOM 0 HG3 MET A 60 74.122 0.317 7.933 1.00 1.62 H new ATOM 0 HE1 MET A 60 73.616 1.225 4.247 1.00 2.02 H new ATOM 0 HE2 MET A 60 73.561 2.478 5.509 1.00 2.02 H new ATOM 0 HE3 MET A 60 74.694 1.114 5.659 1.00 2.02 H new ATOM 916 N ILE A 61 69.339 0.990 9.263 1.00 1.04 N ATOM 917 CA ILE A 61 68.078 1.606 8.758 1.00 1.11 C ATOM 918 C ILE A 61 67.638 2.735 9.700 1.00 1.23 C ATOM 919 O ILE A 61 67.391 3.847 9.278 1.00 1.40 O ATOM 920 CB ILE A 61 67.060 0.455 8.735 1.00 1.13 C ATOM 921 CG1 ILE A 61 67.043 -0.166 7.338 1.00 1.17 C ATOM 922 CG2 ILE A 61 65.654 0.967 9.072 1.00 1.36 C ATOM 923 CD1 ILE A 61 67.180 -1.682 7.452 1.00 1.14 C ATOM 0 H ILE A 61 69.275 0.000 9.502 1.00 1.04 H new ATOM 0 HA ILE A 61 68.187 2.055 7.771 1.00 1.11 H new ATOM 0 HB ILE A 61 67.351 -0.286 9.479 1.00 1.13 H new ATOM 0 HG12 ILE A 61 66.114 0.088 6.827 1.00 1.17 H new ATOM 0 HG13 ILE A 61 67.858 0.239 6.739 1.00 1.17 H new ATOM 0 HG21 ILE A 61 64.949 0.136 9.050 1.00 1.36 H new ATOM 0 HG22 ILE A 61 65.658 1.413 10.066 1.00 1.36 H new ATOM 0 HG23 ILE A 61 65.354 1.716 8.339 1.00 1.36 H new ATOM 0 HD11 ILE A 61 67.168 -2.124 6.456 1.00 1.14 H new ATOM 0 HD12 ILE A 61 68.120 -1.926 7.946 1.00 1.14 H new ATOM 0 HD13 ILE A 61 66.350 -2.079 8.036 1.00 1.14 H new ATOM 935 N ASP A 62 67.537 2.454 10.970 1.00 1.23 N ATOM 936 CA ASP A 62 67.112 3.507 11.936 1.00 1.43 C ATOM 937 C ASP A 62 67.811 4.831 11.617 1.00 1.48 C ATOM 938 O ASP A 62 67.258 5.897 11.800 1.00 1.67 O ATOM 939 CB ASP A 62 67.548 2.987 13.305 1.00 1.51 C ATOM 940 CG ASP A 62 66.414 2.174 13.929 1.00 1.54 C ATOM 941 OD1 ASP A 62 65.511 1.797 13.201 1.00 1.79 O ATOM 942 OD2 ASP A 62 66.466 1.943 15.126 1.00 2.13 O ATOM 0 H ASP A 62 67.730 1.541 11.381 1.00 1.23 H new ATOM 0 HA ASP A 62 66.039 3.697 11.895 1.00 1.43 H new ATOM 0 HB2 ASP A 62 68.440 2.368 13.203 1.00 1.51 H new ATOM 0 HB3 ASP A 62 67.812 3.821 13.955 1.00 1.51 H new ATOM 947 N GLU A 63 69.024 4.771 11.139 1.00 1.41 N ATOM 948 CA GLU A 63 69.756 6.027 10.808 1.00 1.52 C ATOM 949 C GLU A 63 69.276 6.576 9.462 1.00 1.47 C ATOM 950 O GLU A 63 68.703 7.644 9.387 1.00 1.80 O ATOM 951 CB GLU A 63 71.227 5.617 10.726 1.00 1.55 C ATOM 952 CG GLU A 63 72.058 6.524 11.635 1.00 2.11 C ATOM 953 CD GLU A 63 73.123 5.692 12.351 1.00 2.26 C ATOM 954 OE1 GLU A 63 74.026 5.218 11.682 1.00 2.93 O ATOM 955 OE2 GLU A 63 73.017 5.543 13.558 1.00 2.32 O ATOM 0 H GLU A 63 69.539 3.908 10.964 1.00 1.41 H new ATOM 0 HA GLU A 63 69.592 6.810 11.548 1.00 1.52 H new ATOM 0 HB2 GLU A 63 71.343 4.576 11.028 1.00 1.55 H new ATOM 0 HB3 GLU A 63 71.580 5.692 9.698 1.00 1.55 H new ATOM 0 HG2 GLU A 63 72.531 7.311 11.047 1.00 2.11 H new ATOM 0 HG3 GLU A 63 71.413 7.014 12.364 1.00 2.11 H new ATOM 962 N VAL A 64 69.502 5.852 8.400 1.00 1.33 N ATOM 963 CA VAL A 64 69.056 6.334 7.062 1.00 1.29 C ATOM 964 C VAL A 64 67.531 6.461 7.032 1.00 1.21 C ATOM 965 O VAL A 64 66.969 7.123 6.182 1.00 1.50 O ATOM 966 CB VAL A 64 69.527 5.265 6.076 1.00 1.40 C ATOM 967 CG1 VAL A 64 70.992 4.923 6.354 1.00 1.69 C ATOM 968 CG2 VAL A 64 68.671 4.006 6.241 1.00 1.31 C ATOM 0 H VAL A 64 69.976 4.949 8.401 1.00 1.33 H new ATOM 0 HA VAL A 64 69.462 7.316 6.818 1.00 1.29 H new ATOM 0 HB VAL A 64 69.428 5.642 5.058 1.00 1.40 H new ATOM 0 HG11 VAL A 64 71.327 4.161 5.651 1.00 1.69 H new ATOM 0 HG12 VAL A 64 71.603 5.818 6.238 1.00 1.69 H new ATOM 0 HG13 VAL A 64 71.091 4.546 7.372 1.00 1.69 H new ATOM 0 HG21 VAL A 64 69.006 3.243 5.538 1.00 1.31 H new ATOM 0 HG22 VAL A 64 68.770 3.630 7.259 1.00 1.31 H new ATOM 0 HG23 VAL A 64 67.627 4.248 6.043 1.00 1.31 H new ATOM 978 N ASP A 65 66.857 5.831 7.955 1.00 1.27 N ATOM 979 CA ASP A 65 65.368 5.915 7.981 1.00 1.38 C ATOM 980 C ASP A 65 64.927 7.284 8.503 1.00 2.07 C ATOM 981 O ASP A 65 65.346 7.724 9.555 1.00 2.61 O ATOM 982 CB ASP A 65 64.927 4.807 8.939 1.00 1.38 C ATOM 983 CG ASP A 65 63.405 4.670 8.894 1.00 1.66 C ATOM 984 OD1 ASP A 65 62.757 5.609 8.459 1.00 1.47 O ATOM 985 OD2 ASP A 65 62.911 3.629 9.294 1.00 2.59 O ATOM 0 H ASP A 65 67.272 5.262 8.692 1.00 1.27 H new ATOM 0 HA ASP A 65 64.928 5.796 6.991 1.00 1.38 H new ATOM 0 HB2 ASP A 65 65.396 3.863 8.661 1.00 1.38 H new ATOM 0 HB3 ASP A 65 65.252 5.038 9.953 1.00 1.38 H new ATOM 990 N GLU A 66 64.083 7.964 7.775 1.00 2.65 N ATOM 991 CA GLU A 66 63.616 9.305 8.229 1.00 3.74 C ATOM 992 C GLU A 66 62.478 9.155 9.243 1.00 4.00 C ATOM 993 O GLU A 66 61.968 10.125 9.765 1.00 4.93 O ATOM 994 CB GLU A 66 63.116 10.001 6.963 1.00 4.58 C ATOM 995 CG GLU A 66 64.205 9.951 5.889 1.00 5.25 C ATOM 996 CD GLU A 66 63.687 10.606 4.608 1.00 6.17 C ATOM 997 OE1 GLU A 66 63.326 11.770 4.666 1.00 6.61 O ATOM 998 OE2 GLU A 66 63.661 9.933 3.590 1.00 6.67 O ATOM 0 H GLU A 66 63.697 7.649 6.885 1.00 2.65 H new ATOM 0 HA GLU A 66 64.407 9.872 8.721 1.00 3.74 H new ATOM 0 HB2 GLU A 66 62.211 9.514 6.601 1.00 4.58 H new ATOM 0 HB3 GLU A 66 62.855 11.036 7.183 1.00 4.58 H new ATOM 0 HG2 GLU A 66 65.099 10.467 6.238 1.00 5.25 H new ATOM 0 HG3 GLU A 66 64.490 8.917 5.692 1.00 5.25 H new ATOM 1005 N ASP A 67 62.079 7.945 9.525 1.00 3.32 N ATOM 1006 CA ASP A 67 60.975 7.734 10.505 1.00 3.69 C ATOM 1007 C ASP A 67 61.333 6.600 11.468 1.00 3.25 C ATOM 1008 O ASP A 67 60.539 6.203 12.298 1.00 3.49 O ATOM 1009 CB ASP A 67 59.760 7.357 9.657 1.00 3.68 C ATOM 1010 CG ASP A 67 60.116 6.182 8.746 1.00 3.08 C ATOM 1011 OD1 ASP A 67 60.528 5.158 9.267 1.00 3.83 O ATOM 1012 OD2 ASP A 67 59.973 6.325 7.544 1.00 2.33 O ATOM 0 H ASP A 67 62.469 7.094 9.120 1.00 3.32 H new ATOM 0 HA ASP A 67 60.787 8.618 11.114 1.00 3.69 H new ATOM 0 HB2 ASP A 67 58.923 7.090 10.302 1.00 3.68 H new ATOM 0 HB3 ASP A 67 59.442 8.211 9.059 1.00 3.68 H new ATOM 1017 N GLY A 68 62.524 6.074 11.365 1.00 2.98 N ATOM 1018 CA GLY A 68 62.932 4.967 12.275 1.00 3.17 C ATOM 1019 C GLY A 68 61.807 3.936 12.362 1.00 2.42 C ATOM 1020 O GLY A 68 61.296 3.649 13.426 1.00 3.05 O ATOM 0 H GLY A 68 63.231 6.364 10.690 1.00 2.98 H new ATOM 0 HA2 GLY A 68 63.843 4.496 11.906 1.00 3.17 H new ATOM 0 HA3 GLY A 68 63.156 5.361 13.266 1.00 3.17 H new ATOM 1024 N SER A 69 61.415 3.376 11.250 1.00 1.46 N ATOM 1025 CA SER A 69 60.319 2.365 11.271 1.00 1.52 C ATOM 1026 C SER A 69 60.863 0.981 10.900 1.00 1.64 C ATOM 1027 O SER A 69 60.157 -0.006 10.951 1.00 2.49 O ATOM 1028 CB SER A 69 59.317 2.846 10.223 1.00 2.44 C ATOM 1029 OG SER A 69 59.940 2.852 8.945 1.00 2.71 O ATOM 0 H SER A 69 61.806 3.574 10.329 1.00 1.46 H new ATOM 0 HA SER A 69 59.865 2.271 12.257 1.00 1.52 H new ATOM 0 HB2 SER A 69 58.444 2.194 10.212 1.00 2.44 H new ATOM 0 HB3 SER A 69 58.964 3.847 10.473 1.00 2.44 H new ATOM 0 HG SER A 69 60.473 3.668 8.845 1.00 2.71 H new ATOM 1035 N GLY A 70 62.112 0.900 10.530 1.00 1.28 N ATOM 1036 CA GLY A 70 62.696 -0.421 10.162 1.00 1.43 C ATOM 1037 C GLY A 70 62.256 -0.804 8.747 1.00 1.29 C ATOM 1038 O GLY A 70 62.634 -1.836 8.230 1.00 1.59 O ATOM 0 H GLY A 70 62.753 1.691 10.467 1.00 1.28 H new ATOM 0 HA2 GLY A 70 63.784 -0.376 10.215 1.00 1.43 H new ATOM 0 HA3 GLY A 70 62.373 -1.182 10.872 1.00 1.43 H new ATOM 1042 N THR A 71 61.458 0.015 8.117 1.00 0.89 N ATOM 1043 CA THR A 71 60.996 -0.313 6.736 1.00 0.79 C ATOM 1044 C THR A 71 61.736 0.547 5.708 1.00 0.76 C ATOM 1045 O THR A 71 62.226 1.616 6.015 1.00 0.83 O ATOM 1046 CB THR A 71 59.501 0.012 6.729 1.00 0.84 C ATOM 1047 OG1 THR A 71 59.323 1.412 6.880 1.00 1.45 O ATOM 1048 CG2 THR A 71 58.811 -0.720 7.881 1.00 1.08 C ATOM 0 H THR A 71 61.107 0.894 8.496 1.00 0.89 H new ATOM 0 HA THR A 71 61.189 -1.354 6.475 1.00 0.79 H new ATOM 0 HB THR A 71 59.063 -0.311 5.784 1.00 0.84 H new ATOM 0 HG1 THR A 71 59.382 1.649 7.829 1.00 1.45 H new ATOM 0 HG21 THR A 71 57.746 -0.487 7.874 1.00 1.08 H new ATOM 0 HG22 THR A 71 58.948 -1.795 7.763 1.00 1.08 H new ATOM 0 HG23 THR A 71 59.246 -0.400 8.828 1.00 1.08 H new ATOM 1056 N VAL A 72 61.817 0.089 4.490 1.00 0.73 N ATOM 1057 CA VAL A 72 62.522 0.879 3.439 1.00 0.77 C ATOM 1058 C VAL A 72 61.844 0.677 2.081 1.00 0.80 C ATOM 1059 O VAL A 72 62.122 -0.269 1.372 1.00 1.00 O ATOM 1060 CB VAL A 72 63.946 0.323 3.417 1.00 0.85 C ATOM 1061 CG1 VAL A 72 64.651 0.768 2.135 1.00 1.13 C ATOM 1062 CG2 VAL A 72 64.715 0.850 4.631 1.00 1.13 C ATOM 0 H VAL A 72 61.426 -0.799 4.175 1.00 0.73 H new ATOM 0 HA VAL A 72 62.505 1.949 3.644 1.00 0.77 H new ATOM 0 HB VAL A 72 63.911 -0.766 3.451 1.00 0.85 H new ATOM 0 HG11 VAL A 72 65.666 0.371 2.121 1.00 1.13 H new ATOM 0 HG12 VAL A 72 64.103 0.394 1.270 1.00 1.13 H new ATOM 0 HG13 VAL A 72 64.687 1.857 2.099 1.00 1.13 H new ATOM 0 HG21 VAL A 72 65.731 0.455 4.618 1.00 1.13 H new ATOM 0 HG22 VAL A 72 64.749 1.939 4.596 1.00 1.13 H new ATOM 0 HG23 VAL A 72 64.214 0.532 5.545 1.00 1.13 H new ATOM 1072 N ASP A 73 60.955 1.560 1.714 1.00 0.77 N ATOM 1073 CA ASP A 73 60.261 1.418 0.401 1.00 0.83 C ATOM 1074 C ASP A 73 61.092 2.066 -0.709 1.00 0.87 C ATOM 1075 O ASP A 73 62.300 2.162 -0.616 1.00 0.87 O ATOM 1076 CB ASP A 73 58.930 2.152 0.576 1.00 0.85 C ATOM 1077 CG ASP A 73 57.819 1.369 -0.127 1.00 1.80 C ATOM 1078 OD1 ASP A 73 58.033 0.960 -1.256 1.00 2.57 O ATOM 1079 OD2 ASP A 73 56.774 1.192 0.477 1.00 2.47 O ATOM 0 H ASP A 73 60.679 2.373 2.265 1.00 0.77 H new ATOM 0 HA ASP A 73 60.117 0.375 0.120 1.00 0.83 H new ATOM 0 HB2 ASP A 73 58.699 2.260 1.636 1.00 0.85 H new ATOM 0 HB3 ASP A 73 59.000 3.157 0.161 1.00 0.85 H new ATOM 1084 N PHE A 74 60.457 2.510 -1.759 1.00 0.94 N ATOM 1085 CA PHE A 74 61.217 3.150 -2.872 1.00 0.98 C ATOM 1086 C PHE A 74 61.786 4.496 -2.416 1.00 0.86 C ATOM 1087 O PHE A 74 61.459 5.535 -2.953 1.00 0.83 O ATOM 1088 CB PHE A 74 60.194 3.346 -3.991 1.00 1.12 C ATOM 1089 CG PHE A 74 60.809 4.171 -5.096 1.00 1.33 C ATOM 1090 CD1 PHE A 74 62.097 3.875 -5.557 1.00 2.22 C ATOM 1091 CD2 PHE A 74 60.091 5.233 -5.659 1.00 1.97 C ATOM 1092 CE1 PHE A 74 62.668 4.640 -6.581 1.00 3.01 C ATOM 1093 CE2 PHE A 74 60.661 5.998 -6.684 1.00 2.84 C ATOM 1094 CZ PHE A 74 61.949 5.702 -7.145 1.00 3.18 C ATOM 0 H PHE A 74 59.447 2.458 -1.895 1.00 0.94 H new ATOM 0 HA PHE A 74 62.062 2.544 -3.199 1.00 0.98 H new ATOM 0 HB2 PHE A 74 59.874 2.379 -4.379 1.00 1.12 H new ATOM 0 HB3 PHE A 74 59.305 3.843 -3.603 1.00 1.12 H new ATOM 0 HD1 PHE A 74 62.651 3.056 -5.122 1.00 2.22 H new ATOM 0 HD2 PHE A 74 59.098 5.462 -5.303 1.00 1.97 H new ATOM 0 HE1 PHE A 74 63.662 4.412 -6.936 1.00 3.01 H new ATOM 0 HE2 PHE A 74 60.107 6.817 -7.119 1.00 2.84 H new ATOM 0 HZ PHE A 74 62.389 6.292 -7.935 1.00 3.18 H new ATOM 1104 N ASP A 75 62.638 4.478 -1.430 1.00 0.83 N ATOM 1105 CA ASP A 75 63.239 5.748 -0.932 1.00 0.76 C ATOM 1106 C ASP A 75 64.416 5.428 -0.010 1.00 0.69 C ATOM 1107 O ASP A 75 65.563 5.599 -0.371 1.00 0.65 O ATOM 1108 CB ASP A 75 62.118 6.444 -0.159 1.00 0.81 C ATOM 1109 CG ASP A 75 61.735 7.741 -0.873 1.00 0.99 C ATOM 1110 OD1 ASP A 75 62.628 8.403 -1.378 1.00 1.57 O ATOM 1111 OD2 ASP A 75 60.556 8.052 -0.903 1.00 1.49 O ATOM 0 H ASP A 75 62.946 3.635 -0.945 1.00 0.83 H new ATOM 0 HA ASP A 75 63.620 6.378 -1.736 1.00 0.76 H new ATOM 0 HB2 ASP A 75 61.251 5.788 -0.085 1.00 0.81 H new ATOM 0 HB3 ASP A 75 62.443 6.659 0.859 1.00 0.81 H new ATOM 1116 N GLU A 76 64.141 4.952 1.172 1.00 0.77 N ATOM 1117 CA GLU A 76 65.248 4.606 2.106 1.00 0.78 C ATOM 1118 C GLU A 76 66.182 3.600 1.433 1.00 0.70 C ATOM 1119 O GLU A 76 67.354 3.519 1.741 1.00 0.70 O ATOM 1120 CB GLU A 76 64.562 3.981 3.321 1.00 0.95 C ATOM 1121 CG GLU A 76 63.476 4.929 3.837 1.00 1.51 C ATOM 1122 CD GLU A 76 63.330 4.764 5.350 1.00 1.45 C ATOM 1123 OE1 GLU A 76 63.645 3.694 5.843 1.00 1.94 O ATOM 1124 OE2 GLU A 76 62.905 5.711 5.992 1.00 1.72 O ATOM 0 H GLU A 76 63.200 4.788 1.531 1.00 0.77 H new ATOM 0 HA GLU A 76 65.850 5.470 2.388 1.00 0.78 H new ATOM 0 HB2 GLU A 76 64.123 3.021 3.050 1.00 0.95 H new ATOM 0 HB3 GLU A 76 65.294 3.787 4.106 1.00 0.95 H new ATOM 0 HG2 GLU A 76 63.735 5.960 3.596 1.00 1.51 H new ATOM 0 HG3 GLU A 76 62.528 4.715 3.344 1.00 1.51 H new ATOM 1131 N PHE A 77 65.667 2.836 0.505 1.00 0.72 N ATOM 1132 CA PHE A 77 66.521 1.840 -0.201 1.00 0.73 C ATOM 1133 C PHE A 77 67.620 2.564 -0.980 1.00 0.67 C ATOM 1134 O PHE A 77 68.795 2.386 -0.728 1.00 0.69 O ATOM 1135 CB PHE A 77 65.579 1.105 -1.156 1.00 0.84 C ATOM 1136 CG PHE A 77 66.306 -0.065 -1.772 1.00 0.97 C ATOM 1137 CD1 PHE A 77 67.047 -0.934 -0.961 1.00 1.83 C ATOM 1138 CD2 PHE A 77 66.241 -0.283 -3.154 1.00 1.32 C ATOM 1139 CE1 PHE A 77 67.723 -2.019 -1.532 1.00 2.03 C ATOM 1140 CE2 PHE A 77 66.919 -1.369 -3.725 1.00 1.48 C ATOM 1141 CZ PHE A 77 67.659 -2.236 -2.913 1.00 1.46 C ATOM 0 H PHE A 77 64.692 2.860 0.207 1.00 0.72 H new ATOM 0 HA PHE A 77 67.011 1.151 0.487 1.00 0.73 H new ATOM 0 HB2 PHE A 77 64.697 0.757 -0.619 1.00 0.84 H new ATOM 0 HB3 PHE A 77 65.231 1.783 -1.935 1.00 0.84 H new ATOM 0 HD1 PHE A 77 67.097 -0.767 0.105 1.00 1.83 H new ATOM 0 HD2 PHE A 77 65.669 0.386 -3.780 1.00 1.32 H new ATOM 0 HE1 PHE A 77 68.294 -2.689 -0.906 1.00 2.03 H new ATOM 0 HE2 PHE A 77 66.870 -1.537 -4.791 1.00 1.48 H new ATOM 0 HZ PHE A 77 68.181 -3.073 -3.352 1.00 1.46 H new ATOM 1151 N LEU A 78 67.247 3.394 -1.918 1.00 0.66 N ATOM 1152 CA LEU A 78 68.275 4.138 -2.700 1.00 0.68 C ATOM 1153 C LEU A 78 69.178 4.910 -1.739 1.00 0.62 C ATOM 1154 O LEU A 78 70.284 5.287 -2.071 1.00 0.64 O ATOM 1155 CB LEU A 78 67.484 5.096 -3.594 1.00 0.77 C ATOM 1156 CG LEU A 78 66.484 4.305 -4.438 1.00 0.96 C ATOM 1157 CD1 LEU A 78 65.887 5.217 -5.511 1.00 1.55 C ATOM 1158 CD2 LEU A 78 67.201 3.132 -5.111 1.00 1.41 C ATOM 0 H LEU A 78 66.279 3.588 -2.175 1.00 0.66 H new ATOM 0 HA LEU A 78 68.914 3.482 -3.291 1.00 0.68 H new ATOM 0 HB2 LEU A 78 66.959 5.829 -2.982 1.00 0.77 H new ATOM 0 HB3 LEU A 78 68.164 5.649 -4.242 1.00 0.77 H new ATOM 0 HG LEU A 78 65.687 3.927 -3.797 1.00 0.96 H new ATOM 0 HD11 LEU A 78 65.174 4.653 -6.113 1.00 1.55 H new ATOM 0 HD12 LEU A 78 65.377 6.054 -5.034 1.00 1.55 H new ATOM 0 HD13 LEU A 78 66.684 5.595 -6.152 1.00 1.55 H new ATOM 0 HD21 LEU A 78 66.489 2.567 -5.713 1.00 1.41 H new ATOM 0 HD22 LEU A 78 67.997 3.511 -5.752 1.00 1.41 H new ATOM 0 HD23 LEU A 78 67.628 2.481 -4.348 1.00 1.41 H new ATOM 1170 N VAL A 79 68.712 5.133 -0.542 1.00 0.59 N ATOM 1171 CA VAL A 79 69.533 5.866 0.459 1.00 0.61 C ATOM 1172 C VAL A 79 70.474 4.889 1.166 1.00 0.63 C ATOM 1173 O VAL A 79 71.480 5.272 1.730 1.00 0.68 O ATOM 1174 CB VAL A 79 68.520 6.447 1.444 1.00 0.63 C ATOM 1175 CG1 VAL A 79 69.258 7.170 2.572 1.00 0.73 C ATOM 1176 CG2 VAL A 79 67.615 7.436 0.711 1.00 0.70 C ATOM 0 H VAL A 79 67.793 4.837 -0.213 1.00 0.59 H new ATOM 0 HA VAL A 79 70.153 6.642 0.010 1.00 0.61 H new ATOM 0 HB VAL A 79 67.918 5.642 1.865 1.00 0.63 H new ATOM 0 HG11 VAL A 79 68.534 7.584 3.274 1.00 0.73 H new ATOM 0 HG12 VAL A 79 69.906 6.465 3.093 1.00 0.73 H new ATOM 0 HG13 VAL A 79 69.860 7.977 2.154 1.00 0.73 H new ATOM 0 HG21 VAL A 79 66.890 7.853 1.410 1.00 0.70 H new ATOM 0 HG22 VAL A 79 68.219 8.240 0.292 1.00 0.70 H new ATOM 0 HG23 VAL A 79 67.089 6.921 -0.093 1.00 0.70 H new ATOM 1186 N MET A 80 70.151 3.625 1.134 1.00 0.65 N ATOM 1187 CA MET A 80 71.019 2.611 1.798 1.00 0.72 C ATOM 1188 C MET A 80 72.278 2.361 0.964 1.00 0.71 C ATOM 1189 O MET A 80 73.211 1.721 1.408 1.00 0.76 O ATOM 1190 CB MET A 80 70.162 1.346 1.872 1.00 0.80 C ATOM 1191 CG MET A 80 70.431 0.621 3.192 1.00 1.12 C ATOM 1192 SD MET A 80 69.116 1.012 4.373 1.00 2.17 S ATOM 1193 CE MET A 80 68.390 -0.643 4.460 1.00 2.77 C ATOM 0 H MET A 80 69.321 3.250 0.675 1.00 0.65 H new ATOM 0 HA MET A 80 71.354 2.935 2.783 1.00 0.72 H new ATOM 0 HB2 MET A 80 69.106 1.605 1.796 1.00 0.80 H new ATOM 0 HB3 MET A 80 70.390 0.690 1.032 1.00 0.80 H new ATOM 0 HG2 MET A 80 70.477 -0.455 3.025 1.00 1.12 H new ATOM 0 HG3 MET A 80 71.398 0.923 3.595 1.00 1.12 H new ATOM 0 HE1 MET A 80 67.330 -0.563 4.703 1.00 2.77 H new ATOM 0 HE2 MET A 80 68.505 -1.142 3.498 1.00 2.77 H new ATOM 0 HE3 MET A 80 68.897 -1.223 5.232 1.00 2.77 H new ATOM 1203 N MET A 81 72.320 2.872 -0.238 1.00 0.69 N ATOM 1204 CA MET A 81 73.533 2.667 -1.089 1.00 0.74 C ATOM 1205 C MET A 81 74.363 3.952 -1.121 1.00 0.75 C ATOM 1206 O MET A 81 75.554 3.926 -1.357 1.00 0.82 O ATOM 1207 CB MET A 81 73.058 2.302 -2.514 1.00 0.73 C ATOM 1208 CG MET A 81 71.527 2.254 -2.621 1.00 0.89 C ATOM 1209 SD MET A 81 70.893 0.875 -1.633 1.00 1.41 S ATOM 1210 CE MET A 81 71.958 -0.411 -2.333 1.00 1.21 C ATOM 0 H MET A 81 71.573 3.419 -0.667 1.00 0.69 H new ATOM 0 HA MET A 81 74.154 1.868 -0.685 1.00 0.74 H new ATOM 0 HB2 MET A 81 73.447 3.033 -3.223 1.00 0.73 H new ATOM 0 HB3 MET A 81 73.471 1.333 -2.796 1.00 0.73 H new ATOM 0 HG2 MET A 81 71.098 3.193 -2.271 1.00 0.89 H new ATOM 0 HG3 MET A 81 71.229 2.136 -3.663 1.00 0.89 H new ATOM 0 HE1 MET A 81 71.461 -1.378 -2.254 1.00 1.21 H new ATOM 0 HE2 MET A 81 72.155 -0.189 -3.382 1.00 1.21 H new ATOM 0 HE3 MET A 81 72.900 -0.441 -1.785 1.00 1.21 H new ATOM 1220 N VAL A 82 73.744 5.075 -0.878 1.00 0.72 N ATOM 1221 CA VAL A 82 74.503 6.359 -0.888 1.00 0.78 C ATOM 1222 C VAL A 82 75.466 6.402 0.301 1.00 0.81 C ATOM 1223 O VAL A 82 76.589 6.852 0.188 1.00 0.93 O ATOM 1224 CB VAL A 82 73.438 7.447 -0.758 1.00 0.80 C ATOM 1225 CG1 VAL A 82 74.110 8.791 -0.475 1.00 1.08 C ATOM 1226 CG2 VAL A 82 72.644 7.540 -2.061 1.00 1.36 C ATOM 0 H VAL A 82 72.748 5.160 -0.673 1.00 0.72 H new ATOM 0 HA VAL A 82 75.102 6.484 -1.790 1.00 0.78 H new ATOM 0 HB VAL A 82 72.765 7.199 0.063 1.00 0.80 H new ATOM 0 HG11 VAL A 82 73.349 9.566 -0.383 1.00 1.08 H new ATOM 0 HG12 VAL A 82 74.677 8.726 0.454 1.00 1.08 H new ATOM 0 HG13 VAL A 82 74.784 9.040 -1.294 1.00 1.08 H new ATOM 0 HG21 VAL A 82 71.884 8.316 -1.969 1.00 1.36 H new ATOM 0 HG22 VAL A 82 73.318 7.787 -2.881 1.00 1.36 H new ATOM 0 HG23 VAL A 82 72.163 6.583 -2.263 1.00 1.36 H new ATOM 1236 N ARG A 83 75.033 5.934 1.439 1.00 0.79 N ATOM 1237 CA ARG A 83 75.919 5.942 2.637 1.00 0.85 C ATOM 1238 C ARG A 83 77.018 4.888 2.485 1.00 0.90 C ATOM 1239 O ARG A 83 78.114 5.040 2.988 1.00 1.00 O ATOM 1240 CB ARG A 83 75.000 5.594 3.808 1.00 0.87 C ATOM 1241 CG ARG A 83 75.694 5.937 5.127 1.00 1.07 C ATOM 1242 CD ARG A 83 74.649 6.034 6.241 1.00 0.92 C ATOM 1243 NE ARG A 83 75.434 6.032 7.505 1.00 1.62 N ATOM 1244 CZ ARG A 83 75.417 7.077 8.286 1.00 1.83 C ATOM 1245 NH1 ARG A 83 74.408 7.273 9.091 1.00 2.14 N ATOM 1246 NH2 ARG A 83 76.406 7.926 8.262 1.00 2.49 N ATOM 0 H ARG A 83 74.102 5.546 1.591 1.00 0.79 H new ATOM 0 HA ARG A 83 76.416 6.901 2.780 1.00 0.85 H new ATOM 0 HB2 ARG A 83 74.064 6.146 3.724 1.00 0.87 H new ATOM 0 HB3 ARG A 83 74.749 4.534 3.783 1.00 0.87 H new ATOM 0 HG2 ARG A 83 76.432 5.173 5.371 1.00 1.07 H new ATOM 0 HG3 ARG A 83 76.231 6.881 5.034 1.00 1.07 H new ATOM 0 HD2 ARG A 83 74.055 6.943 6.147 1.00 0.92 H new ATOM 0 HD3 ARG A 83 73.955 5.194 6.206 1.00 0.92 H new ATOM 0 HE ARG A 83 75.986 5.213 7.761 1.00 1.62 H new ATOM 0 HH11 ARG A 83 73.634 6.609 9.109 1.00 2.14 H new ATOM 0 HH12 ARG A 83 74.394 8.090 9.702 1.00 2.14 H new ATOM 0 HH21 ARG A 83 77.194 7.774 7.632 1.00 2.49 H new ATOM 0 HH22 ARG A 83 76.392 8.743 8.873 1.00 2.49 H new ATOM 1260 N SER A 84 76.734 3.819 1.793 1.00 0.92 N ATOM 1261 CA SER A 84 77.761 2.754 1.607 1.00 1.01 C ATOM 1262 C SER A 84 78.625 3.062 0.381 1.00 1.06 C ATOM 1263 O SER A 84 79.780 2.690 0.314 1.00 1.38 O ATOM 1264 CB SER A 84 76.964 1.467 1.389 1.00 1.04 C ATOM 1265 OG SER A 84 76.251 1.151 2.577 1.00 1.52 O ATOM 0 H SER A 84 75.835 3.636 1.348 1.00 0.92 H new ATOM 0 HA SER A 84 78.434 2.677 2.461 1.00 1.01 H new ATOM 0 HB2 SER A 84 76.271 1.591 0.557 1.00 1.04 H new ATOM 0 HB3 SER A 84 77.635 0.650 1.125 1.00 1.04 H new ATOM 0 HG SER A 84 75.289 1.236 2.413 1.00 1.52 H new ATOM 1271 N MET A 85 78.075 3.740 -0.588 1.00 0.00 N ATOM 1272 CA MET A 85 78.865 4.073 -1.808 1.00 0.00 C ATOM 1273 C MET A 85 79.677 5.351 -1.580 1.00 0.00 C ATOM 1274 O MET A 85 79.541 6.321 -2.298 1.00 0.00 O ATOM 1275 CB MET A 85 77.824 4.288 -2.908 1.00 0.00 C ATOM 1276 CG MET A 85 77.278 2.934 -3.366 1.00 0.00 C ATOM 1277 SD MET A 85 77.776 2.633 -5.080 1.00 0.00 S ATOM 1278 CE MET A 85 76.245 3.196 -5.863 1.00 0.00 C ATOM 0 H MET A 85 77.113 4.078 -0.588 1.00 0.00 H new ATOM 0 HA MET A 85 79.575 3.288 -2.067 1.00 0.00 H new ATOM 0 HB2 MET A 85 77.012 4.913 -2.537 1.00 0.00 H new ATOM 0 HB3 MET A 85 78.273 4.815 -3.750 1.00 0.00 H new ATOM 0 HG2 MET A 85 77.656 2.140 -2.721 1.00 0.00 H new ATOM 0 HG3 MET A 85 76.191 2.921 -3.284 1.00 0.00 H new ATOM 0 HE1 MET A 85 76.332 3.097 -6.945 1.00 0.00 H new ATOM 0 HE2 MET A 85 75.411 2.590 -5.509 1.00 0.00 H new ATOM 0 HE3 MET A 85 76.069 4.241 -5.608 1.00 0.00 H new