USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=18 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 45 MET CE :methyl -126:sc= -1.5 (180deg=0) USER MOD Set 1.2: A 50 GLN :FLIP amide:sc= -0.0679 F(o=-8.3,f=-5.7) USER MOD Set 1.3: A 60 MET CE :methyl 145:sc= -1.31 (180deg=-0.148) USER MOD Set 1.4: A 80 MET CE :methyl -143:sc= -2.86! (180deg=-5.86!) USER MOD Set 1.5: A 84 SER OG : rot -157:sc= 0 USER MOD Set 2.1: A 69 SER OG : rot 96:sc= 0.115 USER MOD Set 2.2: A 71 THR OG1 : rot 180:sc= 1.01 USER MOD Set 3.1: A 13 THR OG1 : rot -85:sc= -0.555! USER MOD Set 3.2: A 16 GLN : amide:sc= -5.8! C(o=-6.4!,f=-7.3!) USER MOD Set 3.3: A 85 MET CE :methyl -167:sc= 0 (180deg=0) 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 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= -0.0814 K(o=-0.081,f=-2.3!) USER MOD Single : A 21 LYS NZ :NH3+ 174:sc= -0.56 (180deg=-0.631) USER MOD Single : A 35 SER OG : rot 129:sc= -0.126 USER MOD Single : A 37 SER OG : rot -165:sc= -0.975! 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+ -161:sc= 0 (180deg=-0.13) USER MOD Single : A 47 MET CE :methyl -135:sc= -2.3 (180deg=-7.14!) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.119 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=-0.072) USER MOD Single : A 81 MET CE :methyl -152:sc= -0.305 (180deg=-1.85!) USER MOD ----------------------------------------------------------------- ATOM 44 N TYR A 5 70.427 12.774 1.267 1.00 0.88 N ATOM 45 CA TYR A 5 71.039 11.641 0.515 1.00 0.86 C ATOM 46 C TYR A 5 70.544 11.644 -0.932 1.00 0.78 C ATOM 47 O TYR A 5 71.215 11.175 -1.830 1.00 0.79 O ATOM 48 CB TYR A 5 70.570 10.381 1.242 1.00 1.02 C ATOM 49 CG TYR A 5 70.744 10.565 2.731 1.00 1.22 C ATOM 50 CD1 TYR A 5 72.018 10.476 3.303 1.00 1.64 C ATOM 51 CD2 TYR A 5 69.631 10.827 3.539 1.00 1.94 C ATOM 52 CE1 TYR A 5 72.180 10.647 4.683 1.00 1.80 C ATOM 53 CE2 TYR A 5 69.792 10.998 4.919 1.00 2.20 C ATOM 54 CZ TYR A 5 71.066 10.908 5.491 1.00 1.77 C ATOM 55 OH TYR A 5 71.226 11.077 6.851 1.00 2.07 O ATOM 0 HA TYR A 5 72.126 11.706 0.480 1.00 0.86 H new ATOM 0 HB2 TYR A 5 69.524 10.182 1.009 1.00 1.02 H new ATOM 0 HB3 TYR A 5 71.142 9.518 0.902 1.00 1.02 H new ATOM 0 HD1 TYR A 5 72.877 10.275 2.680 1.00 1.64 H new ATOM 0 HD2 TYR A 5 68.648 10.897 3.097 1.00 1.94 H new ATOM 0 HE1 TYR A 5 73.163 10.578 5.124 1.00 1.80 H new ATOM 0 HE2 TYR A 5 68.933 11.199 5.542 1.00 2.20 H new ATOM 0 HH TYR A 5 70.354 11.252 7.264 1.00 2.07 H new ATOM 65 N LYS A 6 69.374 12.174 -1.168 1.00 0.89 N ATOM 66 CA LYS A 6 68.838 12.211 -2.558 1.00 1.01 C ATOM 67 C LYS A 6 69.876 12.824 -3.501 1.00 0.98 C ATOM 68 O LYS A 6 69.979 12.455 -4.653 1.00 1.00 O ATOM 69 CB LYS A 6 67.594 13.097 -2.479 1.00 1.28 C ATOM 70 CG LYS A 6 66.940 13.185 -3.860 1.00 1.60 C ATOM 71 CD LYS A 6 66.526 11.785 -4.319 1.00 2.04 C ATOM 72 CE LYS A 6 65.020 11.760 -4.589 1.00 2.60 C ATOM 73 NZ LYS A 6 64.556 10.448 -4.060 1.00 3.24 N ATOM 0 H LYS A 6 68.767 12.583 -0.458 1.00 0.89 H new ATOM 0 HA LYS A 6 68.605 11.218 -2.941 1.00 1.01 H new ATOM 0 HB2 LYS A 6 66.888 12.687 -1.756 1.00 1.28 H new ATOM 0 HB3 LYS A 6 67.866 14.093 -2.130 1.00 1.28 H new ATOM 0 HG2 LYS A 6 66.069 13.839 -3.820 1.00 1.60 H new ATOM 0 HG3 LYS A 6 67.635 13.623 -4.576 1.00 1.60 H new ATOM 0 HD2 LYS A 6 67.072 11.510 -5.221 1.00 2.04 H new ATOM 0 HD3 LYS A 6 66.781 11.050 -3.556 1.00 2.04 H new ATOM 0 HE2 LYS A 6 64.516 12.588 -4.090 1.00 2.60 H new ATOM 0 HE3 LYS A 6 64.808 11.853 -5.654 1.00 2.60 H new ATOM 0 HZ1 LYS A 6 63.531 10.357 -4.209 1.00 3.24 H new ATOM 0 HZ2 LYS A 6 65.048 9.679 -4.558 1.00 3.24 H new ATOM 0 HZ3 LYS A 6 64.765 10.390 -3.043 1.00 3.24 H new ATOM 87 N ALA A 7 70.648 13.759 -3.016 1.00 1.07 N ATOM 88 CA ALA A 7 71.681 14.396 -3.881 1.00 1.20 C ATOM 89 C ALA A 7 72.626 13.331 -4.443 1.00 1.08 C ATOM 90 O ALA A 7 73.113 13.440 -5.551 1.00 1.19 O ATOM 91 CB ALA A 7 72.437 15.351 -2.955 1.00 1.36 C ATOM 0 H ALA A 7 70.608 14.109 -2.059 1.00 1.07 H new ATOM 0 HA ALA A 7 71.245 14.916 -4.734 1.00 1.20 H new ATOM 0 HB1 ALA A 7 73.218 15.861 -3.518 1.00 1.36 H new ATOM 0 HB2 ALA A 7 71.744 16.087 -2.547 1.00 1.36 H new ATOM 0 HB3 ALA A 7 72.888 14.786 -2.139 1.00 1.36 H new ATOM 97 N ALA A 8 72.890 12.302 -3.686 1.00 0.95 N ATOM 98 CA ALA A 8 73.802 11.228 -4.175 1.00 0.96 C ATOM 99 C ALA A 8 73.059 10.309 -5.147 1.00 0.90 C ATOM 100 O ALA A 8 73.542 10.002 -6.219 1.00 1.01 O ATOM 101 CB ALA A 8 74.218 10.460 -2.921 1.00 0.98 C ATOM 0 H ALA A 8 72.514 12.158 -2.749 1.00 0.95 H new ATOM 0 HA ALA A 8 74.663 11.628 -4.711 1.00 0.96 H new ATOM 0 HB1 ALA A 8 74.892 9.650 -3.198 1.00 0.98 H new ATOM 0 HB2 ALA A 8 74.726 11.135 -2.232 1.00 0.98 H new ATOM 0 HB3 ALA A 8 73.333 10.046 -2.437 1.00 0.98 H new ATOM 107 N VAL A 9 71.887 9.868 -4.783 1.00 0.83 N ATOM 108 CA VAL A 9 71.113 8.970 -5.689 1.00 0.82 C ATOM 109 C VAL A 9 70.901 9.649 -7.044 1.00 0.97 C ATOM 110 O VAL A 9 70.655 9.001 -8.043 1.00 1.02 O ATOM 111 CB VAL A 9 69.774 8.753 -4.982 1.00 0.84 C ATOM 112 CG1 VAL A 9 68.835 7.969 -5.900 1.00 1.05 C ATOM 113 CG2 VAL A 9 70.000 7.964 -3.690 1.00 0.70 C ATOM 0 H VAL A 9 71.431 10.090 -3.898 1.00 0.83 H new ATOM 0 HA VAL A 9 71.629 8.029 -5.881 1.00 0.82 H new ATOM 0 HB VAL A 9 69.328 9.719 -4.744 1.00 0.84 H new ATOM 0 HG11 VAL A 9 67.880 7.814 -5.397 1.00 1.05 H new ATOM 0 HG12 VAL A 9 68.673 8.530 -6.820 1.00 1.05 H new ATOM 0 HG13 VAL A 9 69.281 7.003 -6.138 1.00 1.05 H new ATOM 0 HG21 VAL A 9 69.046 7.810 -3.186 1.00 0.70 H new ATOM 0 HG22 VAL A 9 70.446 6.998 -3.927 1.00 0.70 H new ATOM 0 HG23 VAL A 9 70.670 8.522 -3.035 1.00 0.70 H new ATOM 123 N GLU A 10 70.998 10.950 -7.087 1.00 1.12 N ATOM 124 CA GLU A 10 70.804 11.672 -8.377 1.00 1.32 C ATOM 125 C GLU A 10 71.983 11.405 -9.316 1.00 1.37 C ATOM 126 O GLU A 10 71.841 11.397 -10.522 1.00 1.56 O ATOM 127 CB GLU A 10 70.748 13.152 -7.995 1.00 1.51 C ATOM 128 CG GLU A 10 69.450 13.767 -8.517 1.00 1.80 C ATOM 129 CD GLU A 10 69.024 14.916 -7.601 1.00 2.02 C ATOM 130 OE1 GLU A 10 68.495 14.635 -6.538 1.00 2.61 O ATOM 131 OE2 GLU A 10 69.235 16.057 -7.978 1.00 2.28 O ATOM 0 H GLU A 10 71.203 11.545 -6.284 1.00 1.12 H new ATOM 0 HA GLU A 10 69.903 11.350 -8.900 1.00 1.32 H new ATOM 0 HB2 GLU A 10 70.804 13.261 -6.912 1.00 1.51 H new ATOM 0 HB3 GLU A 10 71.606 13.679 -8.413 1.00 1.51 H new ATOM 0 HG2 GLU A 10 69.592 14.132 -9.534 1.00 1.80 H new ATOM 0 HG3 GLU A 10 68.667 13.010 -8.556 1.00 1.80 H new ATOM 138 N GLN A 11 73.148 11.186 -8.771 1.00 1.29 N ATOM 139 CA GLN A 11 74.338 10.922 -9.631 1.00 1.45 C ATOM 140 C GLN A 11 74.481 9.420 -9.891 1.00 1.35 C ATOM 141 O GLN A 11 75.505 8.954 -10.349 1.00 1.53 O ATOM 142 CB GLN A 11 75.530 11.439 -8.826 1.00 1.61 C ATOM 143 CG GLN A 11 75.889 12.850 -9.294 1.00 2.13 C ATOM 144 CD GLN A 11 76.323 13.691 -8.091 1.00 2.44 C ATOM 145 OE1 GLN A 11 77.417 13.532 -7.587 1.00 2.96 O ATOM 146 NE2 GLN A 11 75.505 14.584 -7.606 1.00 2.71 N ATOM 0 H GLN A 11 73.328 11.178 -7.767 1.00 1.29 H new ATOM 0 HA GLN A 11 74.259 11.407 -10.604 1.00 1.45 H new ATOM 0 HB2 GLN A 11 75.288 11.448 -7.763 1.00 1.61 H new ATOM 0 HB3 GLN A 11 76.384 10.774 -8.953 1.00 1.61 H new ATOM 0 HG2 GLN A 11 76.692 12.807 -10.030 1.00 2.13 H new ATOM 0 HG3 GLN A 11 75.032 13.312 -9.784 1.00 2.13 H new ATOM 0 HE21 GLN A 11 74.587 14.718 -8.029 1.00 2.71 H new ATOM 0 HE22 GLN A 11 75.784 15.149 -6.804 1.00 2.71 H new ATOM 155 N LEU A 12 73.462 8.658 -9.602 1.00 1.18 N ATOM 156 CA LEU A 12 73.543 7.187 -9.834 1.00 1.21 C ATOM 157 C LEU A 12 73.707 6.894 -11.327 1.00 1.11 C ATOM 158 O LEU A 12 74.033 7.764 -12.110 1.00 1.25 O ATOM 159 CB LEU A 12 72.214 6.631 -9.322 1.00 1.32 C ATOM 160 CG LEU A 12 72.403 6.048 -7.920 1.00 1.38 C ATOM 161 CD1 LEU A 12 71.115 5.347 -7.486 1.00 1.49 C ATOM 162 CD2 LEU A 12 73.550 5.035 -7.938 1.00 1.68 C ATOM 0 H LEU A 12 72.578 8.989 -9.216 1.00 1.18 H new ATOM 0 HA LEU A 12 74.396 6.736 -9.327 1.00 1.21 H new ATOM 0 HB2 LEU A 12 71.463 7.421 -9.299 1.00 1.32 H new ATOM 0 HB3 LEU A 12 71.846 5.861 -10.000 1.00 1.32 H new ATOM 0 HG LEU A 12 72.638 6.850 -7.221 1.00 1.38 H new ATOM 0 HD11 LEU A 12 71.246 4.930 -6.487 1.00 1.49 H new ATOM 0 HD12 LEU A 12 70.296 6.066 -7.475 1.00 1.49 H new ATOM 0 HD13 LEU A 12 70.884 4.544 -8.186 1.00 1.49 H new ATOM 0 HD21 LEU A 12 73.684 4.620 -6.939 1.00 1.68 H new ATOM 0 HD22 LEU A 12 73.315 4.232 -8.636 1.00 1.68 H new ATOM 0 HD23 LEU A 12 74.469 5.531 -8.251 1.00 1.68 H new ATOM 174 N THR A 13 73.481 5.672 -11.727 1.00 1.05 N ATOM 175 CA THR A 13 73.621 5.319 -13.168 1.00 1.13 C ATOM 176 C THR A 13 72.461 4.420 -13.605 1.00 0.94 C ATOM 177 O THR A 13 71.974 3.606 -12.846 1.00 0.87 O ATOM 178 CB THR A 13 74.948 4.566 -13.264 1.00 1.38 C ATOM 179 OG1 THR A 13 75.237 3.958 -12.012 1.00 1.89 O ATOM 180 CG2 THR A 13 76.066 5.544 -13.627 1.00 1.68 C ATOM 0 H THR A 13 73.205 4.902 -11.117 1.00 1.05 H new ATOM 0 HA THR A 13 73.604 6.197 -13.813 1.00 1.13 H new ATOM 0 HB THR A 13 74.876 3.798 -14.034 1.00 1.38 H new ATOM 0 HG1 THR A 13 75.681 4.607 -11.428 1.00 1.89 H new ATOM 0 HG21 THR A 13 77.012 5.006 -13.695 1.00 1.68 H new ATOM 0 HG22 THR A 13 75.844 6.011 -14.587 1.00 1.68 H new ATOM 0 HG23 THR A 13 76.140 6.313 -12.858 1.00 1.68 H new ATOM 188 N GLU A 14 72.015 4.559 -14.823 1.00 0.94 N ATOM 189 CA GLU A 14 70.888 3.710 -15.305 1.00 0.90 C ATOM 190 C GLU A 14 71.117 2.250 -14.906 1.00 0.82 C ATOM 191 O GLU A 14 70.183 1.493 -14.727 1.00 0.82 O ATOM 192 CB GLU A 14 70.901 3.860 -16.827 1.00 1.05 C ATOM 193 CG GLU A 14 69.473 4.074 -17.332 1.00 2.10 C ATOM 194 CD GLU A 14 69.142 5.566 -17.309 1.00 2.64 C ATOM 195 OE1 GLU A 14 69.203 6.151 -16.240 1.00 2.91 O ATOM 196 OE2 GLU A 14 68.831 6.100 -18.361 1.00 3.31 O ATOM 0 H GLU A 14 72.381 5.223 -15.505 1.00 0.94 H new ATOM 0 HA GLU A 14 69.932 4.009 -14.875 1.00 0.90 H new ATOM 0 HB2 GLU A 14 71.530 4.703 -17.114 1.00 1.05 H new ATOM 0 HB3 GLU A 14 71.331 2.970 -17.287 1.00 1.05 H new ATOM 0 HG2 GLU A 14 69.372 3.684 -18.345 1.00 2.10 H new ATOM 0 HG3 GLU A 14 68.769 3.525 -16.707 1.00 2.10 H new ATOM 203 N GLU A 15 72.350 1.850 -14.765 1.00 0.92 N ATOM 204 CA GLU A 15 72.635 0.439 -14.376 1.00 1.01 C ATOM 205 C GLU A 15 72.391 0.245 -12.877 1.00 0.90 C ATOM 206 O GLU A 15 72.038 -0.828 -12.430 1.00 0.89 O ATOM 207 CB GLU A 15 74.111 0.227 -14.713 1.00 1.23 C ATOM 208 CG GLU A 15 74.243 -0.867 -15.775 1.00 1.92 C ATOM 209 CD GLU A 15 73.794 -0.320 -17.132 1.00 2.37 C ATOM 210 OE1 GLU A 15 72.880 0.488 -17.149 1.00 2.80 O ATOM 211 OE2 GLU A 15 74.371 -0.719 -18.129 1.00 2.90 O ATOM 0 H GLU A 15 73.172 2.438 -14.902 1.00 0.92 H new ATOM 0 HA GLU A 15 71.993 -0.272 -14.896 1.00 1.01 H new ATOM 0 HB2 GLU A 15 74.548 1.156 -15.078 1.00 1.23 H new ATOM 0 HB3 GLU A 15 74.663 -0.054 -13.816 1.00 1.23 H new ATOM 0 HG2 GLU A 15 75.276 -1.209 -15.833 1.00 1.92 H new ATOM 0 HG3 GLU A 15 73.636 -1.730 -15.500 1.00 1.92 H new ATOM 218 N GLN A 16 72.574 1.276 -12.098 1.00 0.89 N ATOM 219 CA GLN A 16 72.350 1.148 -10.629 1.00 0.87 C ATOM 220 C GLN A 16 70.858 1.270 -10.314 1.00 0.68 C ATOM 221 O GLN A 16 70.326 0.553 -9.489 1.00 0.67 O ATOM 222 CB GLN A 16 73.128 2.307 -10.005 1.00 0.97 C ATOM 223 CG GLN A 16 74.610 1.937 -9.914 1.00 1.77 C ATOM 224 CD GLN A 16 75.366 3.038 -9.168 1.00 2.15 C ATOM 225 OE1 GLN A 16 75.960 3.904 -9.778 1.00 2.42 O ATOM 226 NE2 GLN A 16 75.370 3.041 -7.863 1.00 2.61 N ATOM 0 H GLN A 16 72.868 2.200 -12.414 1.00 0.89 H new ATOM 0 HA GLN A 16 72.680 0.184 -10.242 1.00 0.87 H new ATOM 0 HB2 GLN A 16 73.003 3.208 -10.606 1.00 0.97 H new ATOM 0 HB3 GLN A 16 72.736 2.529 -9.012 1.00 0.97 H new ATOM 0 HG2 GLN A 16 74.727 0.985 -9.395 1.00 1.77 H new ATOM 0 HG3 GLN A 16 75.026 1.809 -10.913 1.00 1.77 H new ATOM 0 HE21 GLN A 16 74.871 2.314 -7.350 1.00 2.61 H new ATOM 0 HE22 GLN A 16 75.872 3.770 -7.356 1.00 2.61 H new ATOM 235 N LYS A 17 70.174 2.167 -10.971 1.00 0.63 N ATOM 236 CA LYS A 17 68.716 2.326 -10.712 1.00 0.62 C ATOM 237 C LYS A 17 67.972 1.059 -11.137 1.00 0.60 C ATOM 238 O LYS A 17 67.253 0.458 -10.364 1.00 0.66 O ATOM 239 CB LYS A 17 68.286 3.516 -11.569 1.00 0.74 C ATOM 240 CG LYS A 17 69.140 4.736 -11.218 1.00 1.21 C ATOM 241 CD LYS A 17 68.239 5.856 -10.696 1.00 1.31 C ATOM 242 CE LYS A 17 69.014 7.175 -10.689 1.00 1.43 C ATOM 243 NZ LYS A 17 68.114 8.152 -11.364 1.00 2.06 N ATOM 0 H LYS A 17 70.562 2.795 -11.675 1.00 0.63 H new ATOM 0 HA LYS A 17 68.496 2.489 -9.657 1.00 0.62 H new ATOM 0 HB2 LYS A 17 68.396 3.274 -12.626 1.00 0.74 H new ATOM 0 HB3 LYS A 17 67.232 3.737 -11.400 1.00 0.74 H new ATOM 0 HG2 LYS A 17 69.881 4.470 -10.464 1.00 1.21 H new ATOM 0 HG3 LYS A 17 69.687 5.075 -12.097 1.00 1.21 H new ATOM 0 HD2 LYS A 17 67.353 5.946 -11.324 1.00 1.31 H new ATOM 0 HD3 LYS A 17 67.894 5.620 -9.689 1.00 1.31 H new ATOM 0 HE2 LYS A 17 69.248 7.490 -9.672 1.00 1.43 H new ATOM 0 HE3 LYS A 17 69.962 7.079 -11.219 1.00 1.43 H new ATOM 0 HZ1 LYS A 17 68.576 9.083 -11.398 1.00 2.06 H new ATOM 0 HZ2 LYS A 17 67.914 7.829 -12.332 1.00 2.06 H new ATOM 0 HZ3 LYS A 17 67.223 8.227 -10.833 1.00 2.06 H new ATOM 257 N ASN A 18 68.145 0.645 -12.363 1.00 0.70 N ATOM 258 CA ASN A 18 67.453 -0.585 -12.841 1.00 0.85 C ATOM 259 C ASN A 18 67.599 -1.705 -11.808 1.00 0.70 C ATOM 260 O ASN A 18 66.629 -2.293 -11.374 1.00 0.66 O ATOM 261 CB ASN A 18 68.167 -0.959 -14.141 1.00 1.11 C ATOM 262 CG ASN A 18 67.612 -0.114 -15.290 1.00 1.68 C ATOM 263 OD1 ASN A 18 66.535 0.438 -15.188 1.00 2.15 O ATOM 264 ND2 ASN A 18 68.309 0.012 -16.386 1.00 2.13 N ATOM 0 H ASN A 18 68.736 1.106 -13.054 1.00 0.70 H new ATOM 0 HA ASN A 18 66.385 -0.428 -12.993 1.00 0.85 H new ATOM 0 HB2 ASN A 18 69.240 -0.794 -14.040 1.00 1.11 H new ATOM 0 HB3 ASN A 18 68.026 -2.019 -14.354 1.00 1.11 H new ATOM 0 HD21 ASN A 18 67.949 0.574 -17.157 1.00 2.13 H new ATOM 0 HD22 ASN A 18 69.213 -0.452 -16.471 1.00 2.13 H new ATOM 271 N GLU A 19 68.806 -2.004 -11.412 1.00 0.76 N ATOM 272 CA GLU A 19 69.016 -3.084 -10.407 1.00 0.79 C ATOM 273 C GLU A 19 68.170 -2.820 -9.159 1.00 0.65 C ATOM 274 O GLU A 19 67.642 -3.730 -8.551 1.00 0.66 O ATOM 275 CB GLU A 19 70.506 -3.026 -10.070 1.00 0.98 C ATOM 276 CG GLU A 19 71.289 -3.878 -11.070 1.00 1.21 C ATOM 277 CD GLU A 19 71.917 -5.069 -10.344 1.00 1.82 C ATOM 278 OE1 GLU A 19 71.392 -5.453 -9.313 1.00 2.53 O ATOM 279 OE2 GLU A 19 72.914 -5.577 -10.832 1.00 2.44 O ATOM 0 H GLU A 19 69.656 -1.547 -11.741 1.00 0.76 H new ATOM 0 HA GLU A 19 68.722 -4.063 -10.785 1.00 0.79 H new ATOM 0 HB2 GLU A 19 70.857 -1.995 -10.102 1.00 0.98 H new ATOM 0 HB3 GLU A 19 70.675 -3.389 -9.056 1.00 0.98 H new ATOM 0 HG2 GLU A 19 70.627 -4.229 -11.862 1.00 1.21 H new ATOM 0 HG3 GLU A 19 72.065 -3.278 -11.546 1.00 1.21 H new ATOM 286 N PHE A 20 68.037 -1.581 -8.772 1.00 0.67 N ATOM 287 CA PHE A 20 67.223 -1.264 -7.563 1.00 0.75 C ATOM 288 C PHE A 20 65.732 -1.424 -7.873 1.00 0.66 C ATOM 289 O PHE A 20 65.005 -2.070 -7.145 1.00 0.79 O ATOM 290 CB PHE A 20 67.553 0.193 -7.235 1.00 0.97 C ATOM 291 CG PHE A 20 69.051 0.366 -7.109 1.00 1.44 C ATOM 292 CD1 PHE A 20 69.875 -0.748 -6.893 1.00 2.35 C ATOM 293 CD2 PHE A 20 69.616 1.643 -7.209 1.00 2.24 C ATOM 294 CE1 PHE A 20 71.261 -0.582 -6.777 1.00 3.36 C ATOM 295 CE2 PHE A 20 71.002 1.808 -7.093 1.00 3.29 C ATOM 296 CZ PHE A 20 71.824 0.696 -6.877 1.00 3.69 C ATOM 0 H PHE A 20 68.455 -0.776 -9.239 1.00 0.67 H new ATOM 0 HA PHE A 20 67.445 -1.929 -6.728 1.00 0.75 H new ATOM 0 HB2 PHE A 20 67.167 0.847 -8.017 1.00 0.97 H new ATOM 0 HB3 PHE A 20 67.065 0.485 -6.305 1.00 0.97 H new ATOM 0 HD1 PHE A 20 69.441 -1.734 -6.816 1.00 2.35 H new ATOM 0 HD2 PHE A 20 68.983 2.502 -7.376 1.00 2.24 H new ATOM 0 HE1 PHE A 20 71.895 -1.440 -6.610 1.00 3.36 H new ATOM 0 HE2 PHE A 20 71.437 2.794 -7.170 1.00 3.29 H new ATOM 0 HZ PHE A 20 72.893 0.824 -6.787 1.00 3.69 H new ATOM 306 N LYS A 21 65.270 -0.843 -8.947 1.00 0.60 N ATOM 307 CA LYS A 21 63.827 -0.968 -9.299 1.00 0.65 C ATOM 308 C LYS A 21 63.473 -2.436 -9.540 1.00 0.57 C ATOM 309 O LYS A 21 62.383 -2.883 -9.240 1.00 0.57 O ATOM 310 CB LYS A 21 63.656 -0.155 -10.583 1.00 0.78 C ATOM 311 CG LYS A 21 64.216 1.256 -10.380 1.00 1.27 C ATOM 312 CD LYS A 21 63.762 1.797 -9.023 1.00 1.58 C ATOM 313 CE LYS A 21 63.855 3.325 -9.022 1.00 2.42 C ATOM 314 NZ LYS A 21 65.251 3.625 -8.601 1.00 2.88 N ATOM 0 H LYS A 21 65.829 -0.288 -9.595 1.00 0.60 H new ATOM 0 HA LYS A 21 63.174 -0.608 -8.504 1.00 0.65 H new ATOM 0 HB2 LYS A 21 64.173 -0.646 -11.407 1.00 0.78 H new ATOM 0 HB3 LYS A 21 62.601 -0.103 -10.854 1.00 0.78 H new ATOM 0 HG2 LYS A 21 65.305 1.237 -10.430 1.00 1.27 H new ATOM 0 HG3 LYS A 21 63.872 1.913 -11.179 1.00 1.27 H new ATOM 0 HD2 LYS A 21 62.738 1.485 -8.820 1.00 1.58 H new ATOM 0 HD3 LYS A 21 64.384 1.384 -8.229 1.00 1.58 H new ATOM 0 HE2 LYS A 21 63.644 3.734 -10.010 1.00 2.42 H new ATOM 0 HE3 LYS A 21 63.132 3.764 -8.334 1.00 2.42 H new ATOM 0 HZ1 LYS A 21 65.423 4.648 -8.674 1.00 2.88 H new ATOM 0 HZ2 LYS A 21 65.390 3.320 -7.617 1.00 2.88 H new ATOM 0 HZ3 LYS A 21 65.916 3.117 -9.218 1.00 2.88 H new ATOM 328 N ALA A 22 64.392 -3.188 -10.074 1.00 0.59 N ATOM 329 CA ALA A 22 64.122 -4.630 -10.333 1.00 0.62 C ATOM 330 C ALA A 22 64.237 -5.420 -9.028 1.00 0.50 C ATOM 331 O ALA A 22 63.293 -6.040 -8.580 1.00 0.50 O ATOM 332 CB ALA A 22 65.204 -5.068 -11.318 1.00 0.76 C ATOM 0 H ALA A 22 65.322 -2.866 -10.343 1.00 0.59 H new ATOM 0 HA ALA A 22 63.121 -4.801 -10.729 1.00 0.62 H new ATOM 0 HB1 ALA A 22 65.072 -6.123 -11.558 1.00 0.76 H new ATOM 0 HB2 ALA A 22 65.127 -4.476 -12.230 1.00 0.76 H new ATOM 0 HB3 ALA A 22 66.186 -4.918 -10.870 1.00 0.76 H new ATOM 338 N ALA A 23 65.385 -5.393 -8.408 1.00 0.50 N ATOM 339 CA ALA A 23 65.553 -6.133 -7.128 1.00 0.53 C ATOM 340 C ALA A 23 64.383 -5.808 -6.201 1.00 0.46 C ATOM 341 O ALA A 23 63.731 -6.686 -5.672 1.00 0.52 O ATOM 342 CB ALA A 23 66.868 -5.622 -6.540 1.00 0.64 C ATOM 0 H ALA A 23 66.212 -4.891 -8.733 1.00 0.50 H new ATOM 0 HA ALA A 23 65.572 -7.214 -7.264 1.00 0.53 H new ATOM 0 HB1 ALA A 23 67.061 -6.123 -5.591 1.00 0.64 H new ATOM 0 HB2 ALA A 23 67.682 -5.831 -7.234 1.00 0.64 H new ATOM 0 HB3 ALA A 23 66.799 -4.547 -6.375 1.00 0.64 H new ATOM 348 N PHE A 24 64.104 -4.548 -6.016 1.00 0.47 N ATOM 349 CA PHE A 24 62.966 -4.157 -5.139 1.00 0.57 C ATOM 350 C PHE A 24 61.720 -4.949 -5.540 1.00 0.48 C ATOM 351 O PHE A 24 61.265 -5.814 -4.822 1.00 0.51 O ATOM 352 CB PHE A 24 62.768 -2.663 -5.407 1.00 0.77 C ATOM 353 CG PHE A 24 61.649 -2.129 -4.544 1.00 0.90 C ATOM 354 CD1 PHE A 24 60.317 -2.424 -4.858 1.00 1.54 C ATOM 355 CD2 PHE A 24 61.946 -1.331 -3.433 1.00 1.58 C ATOM 356 CE1 PHE A 24 59.283 -1.922 -4.060 1.00 1.62 C ATOM 357 CE2 PHE A 24 60.911 -0.829 -2.636 1.00 1.72 C ATOM 358 CZ PHE A 24 59.580 -1.126 -2.950 1.00 1.25 C ATOM 0 H PHE A 24 64.616 -3.771 -6.435 1.00 0.47 H new ATOM 0 HA PHE A 24 63.151 -4.358 -4.084 1.00 0.57 H new ATOM 0 HB2 PHE A 24 63.691 -2.122 -5.197 1.00 0.77 H new ATOM 0 HB3 PHE A 24 62.536 -2.501 -6.460 1.00 0.77 H new ATOM 0 HD1 PHE A 24 60.088 -3.039 -5.716 1.00 1.54 H new ATOM 0 HD2 PHE A 24 62.973 -1.103 -3.191 1.00 1.58 H new ATOM 0 HE1 PHE A 24 58.255 -2.150 -4.302 1.00 1.62 H new ATOM 0 HE2 PHE A 24 61.139 -0.213 -1.779 1.00 1.72 H new ATOM 0 HZ PHE A 24 58.781 -0.740 -2.334 1.00 1.25 H new ATOM 368 N ASP A 25 61.170 -4.664 -6.686 1.00 0.45 N ATOM 369 CA ASP A 25 59.956 -5.403 -7.137 1.00 0.53 C ATOM 370 C ASP A 25 60.127 -6.905 -6.886 1.00 0.52 C ATOM 371 O ASP A 25 59.167 -7.629 -6.713 1.00 0.60 O ATOM 372 CB ASP A 25 59.853 -5.118 -8.636 1.00 0.66 C ATOM 373 CG ASP A 25 58.391 -4.868 -9.011 1.00 0.98 C ATOM 374 OD1 ASP A 25 57.528 -5.422 -8.349 1.00 1.52 O ATOM 375 OD2 ASP A 25 58.159 -4.128 -9.952 1.00 1.55 O ATOM 0 H ASP A 25 61.508 -3.950 -7.332 1.00 0.45 H new ATOM 0 HA ASP A 25 59.060 -5.092 -6.600 1.00 0.53 H new ATOM 0 HB2 ASP A 25 60.459 -4.249 -8.894 1.00 0.66 H new ATOM 0 HB3 ASP A 25 60.246 -5.961 -9.205 1.00 0.66 H new ATOM 380 N ILE A 26 61.343 -7.378 -6.863 1.00 0.50 N ATOM 381 CA ILE A 26 61.577 -8.831 -6.621 1.00 0.63 C ATOM 382 C ILE A 26 61.635 -9.111 -5.117 1.00 0.70 C ATOM 383 O ILE A 26 61.028 -10.040 -4.624 1.00 0.94 O ATOM 384 CB ILE A 26 62.927 -9.126 -7.275 1.00 0.68 C ATOM 385 CG1 ILE A 26 62.843 -8.827 -8.773 1.00 0.72 C ATOM 386 CG2 ILE A 26 63.284 -10.600 -7.070 1.00 0.94 C ATOM 387 CD1 ILE A 26 64.254 -8.756 -9.361 1.00 0.69 C ATOM 0 H ILE A 26 62.186 -6.821 -7.001 1.00 0.50 H new ATOM 0 HA ILE A 26 60.781 -9.454 -7.030 1.00 0.63 H new ATOM 0 HB ILE A 26 63.695 -8.500 -6.820 1.00 0.68 H new ATOM 0 HG12 ILE A 26 62.266 -9.602 -9.277 1.00 0.72 H new ATOM 0 HG13 ILE A 26 62.321 -7.884 -8.937 1.00 0.72 H new ATOM 0 HG21 ILE A 26 64.247 -10.810 -7.537 1.00 0.94 H new ATOM 0 HG22 ILE A 26 63.343 -10.815 -6.003 1.00 0.94 H new ATOM 0 HG23 ILE A 26 62.517 -11.227 -7.524 1.00 0.94 H new ATOM 0 HD11 ILE A 26 64.193 -8.543 -10.428 1.00 0.69 H new ATOM 0 HD12 ILE A 26 64.816 -7.965 -8.864 1.00 0.69 H new ATOM 0 HD13 ILE A 26 64.760 -9.710 -9.210 1.00 0.69 H new ATOM 399 N PHE A 27 62.364 -8.313 -4.385 1.00 0.61 N ATOM 400 CA PHE A 27 62.464 -8.529 -2.914 1.00 0.79 C ATOM 401 C PHE A 27 61.247 -7.928 -2.208 1.00 0.76 C ATOM 402 O PHE A 27 60.910 -8.298 -1.101 1.00 1.03 O ATOM 403 CB PHE A 27 63.738 -7.796 -2.499 1.00 0.91 C ATOM 404 CG PHE A 27 64.942 -8.558 -2.998 1.00 1.45 C ATOM 405 CD1 PHE A 27 65.056 -9.930 -2.748 1.00 2.23 C ATOM 406 CD2 PHE A 27 65.943 -7.890 -3.711 1.00 2.07 C ATOM 407 CE1 PHE A 27 66.172 -10.635 -3.213 1.00 3.07 C ATOM 408 CE2 PHE A 27 67.059 -8.594 -4.175 1.00 2.83 C ATOM 409 CZ PHE A 27 67.174 -9.967 -3.927 1.00 3.21 C ATOM 0 H PHE A 27 62.895 -7.520 -4.743 1.00 0.61 H new ATOM 0 HA PHE A 27 62.494 -9.586 -2.650 1.00 0.79 H new ATOM 0 HB2 PHE A 27 63.739 -6.786 -2.908 1.00 0.91 H new ATOM 0 HB3 PHE A 27 63.779 -7.701 -1.414 1.00 0.91 H new ATOM 0 HD1 PHE A 27 64.283 -10.445 -2.196 1.00 2.23 H new ATOM 0 HD2 PHE A 27 65.854 -6.831 -3.903 1.00 2.07 H new ATOM 0 HE1 PHE A 27 66.260 -11.694 -3.021 1.00 3.07 H new ATOM 0 HE2 PHE A 27 67.832 -8.078 -4.725 1.00 2.83 H new ATOM 0 HZ PHE A 27 68.035 -10.511 -4.286 1.00 3.21 H new ATOM 419 N VAL A 28 60.589 -6.998 -2.843 1.00 0.63 N ATOM 420 CA VAL A 28 59.397 -6.363 -2.218 1.00 0.65 C ATOM 421 C VAL A 28 58.222 -7.351 -2.202 1.00 0.65 C ATOM 422 O VAL A 28 57.224 -7.137 -1.544 1.00 0.74 O ATOM 423 CB VAL A 28 59.099 -5.145 -3.104 1.00 0.68 C ATOM 424 CG1 VAL A 28 58.180 -5.536 -4.267 1.00 1.10 C ATOM 425 CG2 VAL A 28 58.421 -4.062 -2.269 1.00 1.47 C ATOM 0 H VAL A 28 60.827 -6.650 -3.772 1.00 0.63 H new ATOM 0 HA VAL A 28 59.564 -6.072 -1.181 1.00 0.65 H new ATOM 0 HB VAL A 28 60.039 -4.770 -3.508 1.00 0.68 H new ATOM 0 HG11 VAL A 28 57.980 -4.660 -4.883 1.00 1.10 H new ATOM 0 HG12 VAL A 28 58.665 -6.302 -4.872 1.00 1.10 H new ATOM 0 HG13 VAL A 28 57.241 -5.925 -3.874 1.00 1.10 H new ATOM 0 HG21 VAL A 28 58.209 -3.197 -2.898 1.00 1.47 H new ATOM 0 HG22 VAL A 28 57.488 -4.449 -1.859 1.00 1.47 H new ATOM 0 HG23 VAL A 28 59.080 -3.765 -1.454 1.00 1.47 H new ATOM 435 N LEU A 29 58.340 -8.430 -2.927 1.00 0.92 N ATOM 436 CA LEU A 29 57.239 -9.434 -2.963 1.00 0.99 C ATOM 437 C LEU A 29 56.897 -9.898 -1.546 1.00 0.99 C ATOM 438 O LEU A 29 57.704 -10.502 -0.867 1.00 1.10 O ATOM 439 CB LEU A 29 57.796 -10.596 -3.784 1.00 1.43 C ATOM 440 CG LEU A 29 57.190 -10.577 -5.191 1.00 1.74 C ATOM 441 CD1 LEU A 29 57.198 -9.147 -5.738 1.00 2.11 C ATOM 442 CD2 LEU A 29 58.018 -11.474 -6.113 1.00 2.45 C ATOM 0 H LEU A 29 59.154 -8.660 -3.497 1.00 0.92 H new ATOM 0 HA LEU A 29 56.323 -9.028 -3.393 1.00 0.99 H new ATOM 0 HB2 LEU A 29 58.882 -10.522 -3.845 1.00 1.43 H new ATOM 0 HB3 LEU A 29 57.568 -11.542 -3.293 1.00 1.43 H new ATOM 0 HG LEU A 29 56.164 -10.942 -5.146 1.00 1.74 H new ATOM 0 HD11 LEU A 29 56.766 -9.138 -6.739 1.00 2.11 H new ATOM 0 HD12 LEU A 29 56.610 -8.504 -5.083 1.00 2.11 H new ATOM 0 HD13 LEU A 29 58.223 -8.780 -5.782 1.00 2.11 H new ATOM 0 HD21 LEU A 29 57.588 -11.462 -7.115 1.00 2.45 H new ATOM 0 HD22 LEU A 29 59.043 -11.106 -6.154 1.00 2.45 H new ATOM 0 HD23 LEU A 29 58.013 -12.494 -5.729 1.00 2.45 H new ATOM 454 N GLY A 30 55.706 -9.621 -1.093 1.00 1.16 N ATOM 455 CA GLY A 30 55.316 -10.045 0.280 1.00 1.58 C ATOM 456 C GLY A 30 55.913 -9.073 1.298 1.00 1.39 C ATOM 457 O GLY A 30 55.694 -9.195 2.488 1.00 1.89 O ATOM 0 H GLY A 30 54.987 -9.120 -1.614 1.00 1.16 H new ATOM 0 HA2 GLY A 30 54.230 -10.065 0.372 1.00 1.58 H new ATOM 0 HA3 GLY A 30 55.671 -11.057 0.475 1.00 1.58 H new ATOM 461 N ALA A 31 56.664 -8.108 0.840 1.00 0.90 N ATOM 462 CA ALA A 31 57.275 -7.125 1.782 1.00 0.95 C ATOM 463 C ALA A 31 56.238 -6.661 2.809 1.00 1.15 C ATOM 464 O ALA A 31 55.067 -6.972 2.711 1.00 1.41 O ATOM 465 CB ALA A 31 57.715 -5.956 0.901 1.00 0.97 C ATOM 0 H ALA A 31 56.881 -7.957 -0.145 1.00 0.90 H new ATOM 0 HA ALA A 31 58.107 -7.551 2.342 1.00 0.95 H new ATOM 0 HB1 ALA A 31 58.176 -5.187 1.521 1.00 0.97 H new ATOM 0 HB2 ALA A 31 58.436 -6.308 0.163 1.00 0.97 H new ATOM 0 HB3 ALA A 31 56.847 -5.538 0.390 1.00 0.97 H new ATOM 471 N GLU A 32 56.658 -5.914 3.791 1.00 1.35 N ATOM 472 CA GLU A 32 55.695 -5.430 4.821 1.00 1.90 C ATOM 473 C GLU A 32 54.575 -4.628 4.156 1.00 2.05 C ATOM 474 O GLU A 32 53.408 -4.824 4.432 1.00 2.79 O ATOM 475 CB GLU A 32 56.521 -4.533 5.745 1.00 2.37 C ATOM 476 CG GLU A 32 56.064 -4.732 7.192 1.00 2.44 C ATOM 477 CD GLU A 32 57.241 -4.485 8.136 1.00 2.83 C ATOM 478 OE1 GLU A 32 58.357 -4.399 7.652 1.00 3.24 O ATOM 479 OE2 GLU A 32 57.007 -4.386 9.329 1.00 3.29 O ATOM 0 H GLU A 32 57.625 -5.618 3.926 1.00 1.35 H new ATOM 0 HA GLU A 32 55.223 -6.248 5.364 1.00 1.90 H new ATOM 0 HB2 GLU A 32 57.580 -4.773 5.651 1.00 2.37 H new ATOM 0 HB3 GLU A 32 56.404 -3.489 5.456 1.00 2.37 H new ATOM 0 HG2 GLU A 32 55.248 -4.048 7.424 1.00 2.44 H new ATOM 0 HG3 GLU A 32 55.681 -5.743 7.328 1.00 2.44 H new ATOM 486 N ASP A 33 54.923 -3.726 3.281 1.00 1.80 N ATOM 487 CA ASP A 33 53.881 -2.910 2.594 1.00 2.11 C ATOM 488 C ASP A 33 54.412 -2.410 1.248 1.00 1.47 C ATOM 489 O ASP A 33 54.510 -1.223 1.010 1.00 1.80 O ATOM 490 CB ASP A 33 53.611 -1.736 3.535 1.00 3.12 C ATOM 491 CG ASP A 33 54.931 -1.051 3.891 1.00 3.68 C ATOM 492 OD1 ASP A 33 55.525 -0.457 3.007 1.00 4.09 O ATOM 493 OD2 ASP A 33 55.326 -1.132 5.042 1.00 4.12 O ATOM 0 H ASP A 33 55.884 -3.518 3.011 1.00 1.80 H new ATOM 0 HA ASP A 33 52.975 -3.481 2.389 1.00 2.11 H new ATOM 0 HB2 ASP A 33 52.936 -1.024 3.060 1.00 3.12 H new ATOM 0 HB3 ASP A 33 53.117 -2.088 4.440 1.00 3.12 H new ATOM 498 N GLY A 34 54.759 -3.308 0.366 1.00 1.10 N ATOM 499 CA GLY A 34 55.287 -2.884 -0.960 1.00 1.40 C ATOM 500 C GLY A 34 56.626 -2.170 -0.767 1.00 1.17 C ATOM 501 O GLY A 34 56.834 -1.078 -1.256 1.00 1.39 O ATOM 0 H GLY A 34 54.699 -4.316 0.507 1.00 1.10 H new ATOM 0 HA2 GLY A 34 55.415 -3.751 -1.608 1.00 1.40 H new ATOM 0 HA3 GLY A 34 54.576 -2.221 -1.452 1.00 1.40 H new ATOM 505 N SER A 35 57.537 -2.780 -0.056 1.00 0.84 N ATOM 506 CA SER A 35 58.861 -2.133 0.168 1.00 0.70 C ATOM 507 C SER A 35 59.912 -3.185 0.522 1.00 0.67 C ATOM 508 O SER A 35 59.800 -4.338 0.154 1.00 0.80 O ATOM 509 CB SER A 35 58.642 -1.175 1.339 1.00 0.75 C ATOM 510 OG SER A 35 57.481 -0.393 1.094 1.00 1.04 O ATOM 0 H SER A 35 57.421 -3.696 0.378 1.00 0.84 H new ATOM 0 HA SER A 35 59.221 -1.614 -0.720 1.00 0.70 H new ATOM 0 HB2 SER A 35 58.528 -1.736 2.267 1.00 0.75 H new ATOM 0 HB3 SER A 35 59.511 -0.528 1.462 1.00 0.75 H new ATOM 0 HG SER A 35 56.890 -0.431 1.875 1.00 1.04 H new ATOM 516 N ILE A 36 60.937 -2.798 1.228 1.00 0.69 N ATOM 517 CA ILE A 36 61.997 -3.781 1.596 1.00 0.78 C ATOM 518 C ILE A 36 62.452 -3.547 3.039 1.00 0.71 C ATOM 519 O ILE A 36 63.325 -2.744 3.302 1.00 0.98 O ATOM 520 CB ILE A 36 63.164 -3.539 0.624 1.00 1.00 C ATOM 521 CG1 ILE A 36 62.667 -2.882 -0.670 1.00 1.09 C ATOM 522 CG2 ILE A 36 63.814 -4.878 0.279 1.00 1.36 C ATOM 523 CD1 ILE A 36 63.822 -2.789 -1.670 1.00 1.22 C ATOM 0 H ILE A 36 61.088 -1.847 1.566 1.00 0.69 H new ATOM 0 HA ILE A 36 61.632 -4.806 1.529 1.00 0.78 H new ATOM 0 HB ILE A 36 63.884 -2.876 1.103 1.00 1.00 H new ATOM 0 HG12 ILE A 36 61.849 -3.464 -1.095 1.00 1.09 H new ATOM 0 HG13 ILE A 36 62.274 -1.888 -0.458 1.00 1.09 H new ATOM 0 HG21 ILE A 36 64.642 -4.713 -0.410 1.00 1.36 H new ATOM 0 HG22 ILE A 36 64.187 -5.347 1.190 1.00 1.36 H new ATOM 0 HG23 ILE A 36 63.077 -5.530 -0.189 1.00 1.36 H new ATOM 0 HD11 ILE A 36 63.470 -2.322 -2.590 1.00 1.22 H new ATOM 0 HD12 ILE A 36 64.626 -2.189 -1.243 1.00 1.22 H new ATOM 0 HD13 ILE A 36 64.194 -3.790 -1.890 1.00 1.22 H new ATOM 535 N SER A 37 61.866 -4.242 3.975 1.00 0.87 N ATOM 536 CA SER A 37 62.265 -4.058 5.400 1.00 0.87 C ATOM 537 C SER A 37 63.546 -4.843 5.695 1.00 0.76 C ATOM 538 O SER A 37 63.928 -5.728 4.956 1.00 0.87 O ATOM 539 CB SER A 37 61.098 -4.616 6.211 1.00 1.12 C ATOM 540 OG SER A 37 59.929 -3.861 5.930 1.00 1.52 O ATOM 0 H SER A 37 61.129 -4.929 3.815 1.00 0.87 H new ATOM 0 HA SER A 37 62.468 -3.015 5.641 1.00 0.87 H new ATOM 0 HB2 SER A 37 60.936 -5.665 5.963 1.00 1.12 H new ATOM 0 HB3 SER A 37 61.326 -4.572 7.276 1.00 1.12 H new ATOM 0 HG SER A 37 59.248 -4.047 6.610 1.00 1.52 H new ATOM 546 N THR A 38 64.212 -4.525 6.772 1.00 0.71 N ATOM 547 CA THR A 38 65.469 -5.254 7.114 1.00 0.65 C ATOM 548 C THR A 38 65.283 -6.761 6.907 1.00 0.70 C ATOM 549 O THR A 38 66.231 -7.484 6.671 1.00 1.37 O ATOM 550 CB THR A 38 65.740 -4.944 8.591 1.00 0.76 C ATOM 551 OG1 THR A 38 66.561 -5.965 9.142 1.00 1.55 O ATOM 552 CG2 THR A 38 64.421 -4.881 9.359 1.00 1.00 C ATOM 0 H THR A 38 63.941 -3.793 7.429 1.00 0.71 H new ATOM 0 HA THR A 38 66.300 -4.944 6.481 1.00 0.65 H new ATOM 0 HB THR A 38 66.246 -3.982 8.671 1.00 0.76 H new ATOM 0 HG1 THR A 38 66.737 -5.769 10.086 1.00 1.55 H new ATOM 0 HG21 THR A 38 64.621 -4.660 10.408 1.00 1.00 H new ATOM 0 HG22 THR A 38 63.791 -4.098 8.937 1.00 1.00 H new ATOM 0 HG23 THR A 38 63.908 -5.840 9.281 1.00 1.00 H new ATOM 560 N LYS A 39 64.072 -7.240 6.992 1.00 0.60 N ATOM 561 CA LYS A 39 63.834 -8.701 6.797 1.00 0.66 C ATOM 562 C LYS A 39 63.869 -9.049 5.307 1.00 0.64 C ATOM 563 O LYS A 39 64.113 -10.177 4.928 1.00 0.87 O ATOM 564 CB LYS A 39 62.443 -8.957 7.378 1.00 0.81 C ATOM 565 CG LYS A 39 62.450 -10.275 8.158 1.00 1.42 C ATOM 566 CD LYS A 39 62.426 -11.449 7.177 1.00 1.58 C ATOM 567 CE LYS A 39 62.176 -12.750 7.944 1.00 2.15 C ATOM 568 NZ LYS A 39 63.530 -13.243 8.321 1.00 2.80 N ATOM 0 H LYS A 39 63.238 -6.686 7.187 1.00 0.60 H new ATOM 0 HA LYS A 39 64.595 -9.312 7.282 1.00 0.66 H new ATOM 0 HB2 LYS A 39 62.154 -8.136 8.034 1.00 0.81 H new ATOM 0 HB3 LYS A 39 61.705 -9.000 6.577 1.00 0.81 H new ATOM 0 HG2 LYS A 39 63.337 -10.332 8.788 1.00 1.42 H new ATOM 0 HG3 LYS A 39 61.585 -10.323 8.820 1.00 1.42 H new ATOM 0 HD2 LYS A 39 61.645 -11.298 6.432 1.00 1.58 H new ATOM 0 HD3 LYS A 39 63.373 -11.507 6.640 1.00 1.58 H new ATOM 0 HE2 LYS A 39 61.560 -12.576 8.826 1.00 2.15 H new ATOM 0 HE3 LYS A 39 61.649 -13.477 7.326 1.00 2.15 H new ATOM 0 HZ1 LYS A 39 63.440 -14.133 8.851 1.00 2.80 H new ATOM 0 HZ2 LYS A 39 64.092 -13.407 7.461 1.00 2.80 H new ATOM 0 HZ3 LYS A 39 64.005 -12.533 8.915 1.00 2.80 H new ATOM 582 N GLU A 40 63.631 -8.087 4.456 1.00 0.63 N ATOM 583 CA GLU A 40 63.653 -8.365 2.991 1.00 0.68 C ATOM 584 C GLU A 40 64.956 -7.847 2.375 1.00 0.66 C ATOM 585 O GLU A 40 65.384 -8.300 1.332 1.00 0.83 O ATOM 586 CB GLU A 40 62.454 -7.604 2.423 1.00 0.86 C ATOM 587 CG GLU A 40 61.164 -8.354 2.759 1.00 1.05 C ATOM 588 CD GLU A 40 61.051 -9.598 1.875 1.00 1.54 C ATOM 589 OE1 GLU A 40 61.725 -10.572 2.168 1.00 2.32 O ATOM 590 OE2 GLU A 40 60.294 -9.555 0.920 1.00 1.92 O ATOM 0 H GLU A 40 63.423 -7.122 4.712 1.00 0.63 H new ATOM 0 HA GLU A 40 63.599 -9.432 2.773 1.00 0.68 H new ATOM 0 HB2 GLU A 40 62.420 -6.597 2.838 1.00 0.86 H new ATOM 0 HB3 GLU A 40 62.555 -7.500 1.343 1.00 0.86 H new ATOM 0 HG2 GLU A 40 61.161 -8.641 3.811 1.00 1.05 H new ATOM 0 HG3 GLU A 40 60.302 -7.705 2.603 1.00 1.05 H new ATOM 597 N LEU A 41 65.588 -6.899 3.012 1.00 0.73 N ATOM 598 CA LEU A 41 66.861 -6.351 2.462 1.00 0.80 C ATOM 599 C LEU A 41 67.976 -7.395 2.561 1.00 0.72 C ATOM 600 O LEU A 41 68.998 -7.291 1.911 1.00 0.81 O ATOM 601 CB LEU A 41 67.182 -5.138 3.337 1.00 1.10 C ATOM 602 CG LEU A 41 67.441 -3.921 2.449 1.00 1.23 C ATOM 603 CD1 LEU A 41 68.663 -4.182 1.567 1.00 1.94 C ATOM 604 CD2 LEU A 41 66.219 -3.670 1.563 1.00 1.83 C ATOM 0 H LEU A 41 65.278 -6.480 3.889 1.00 0.73 H new ATOM 0 HA LEU A 41 66.772 -6.082 1.409 1.00 0.80 H new ATOM 0 HB2 LEU A 41 66.353 -4.936 4.015 1.00 1.10 H new ATOM 0 HB3 LEU A 41 68.056 -5.343 3.955 1.00 1.10 H new ATOM 0 HG LEU A 41 67.625 -3.047 3.074 1.00 1.23 H new ATOM 0 HD11 LEU A 41 68.847 -3.314 0.934 1.00 1.94 H new ATOM 0 HD12 LEU A 41 69.534 -4.363 2.197 1.00 1.94 H new ATOM 0 HD13 LEU A 41 68.480 -5.055 0.941 1.00 1.94 H new ATOM 0 HD21 LEU A 41 66.401 -2.802 0.929 1.00 1.83 H new ATOM 0 HD22 LEU A 41 66.037 -4.544 0.938 1.00 1.83 H new ATOM 0 HD23 LEU A 41 65.347 -3.484 2.190 1.00 1.83 H new ATOM 616 N GLY A 42 67.790 -8.402 3.370 1.00 0.72 N ATOM 617 CA GLY A 42 68.839 -9.450 3.508 1.00 0.91 C ATOM 618 C GLY A 42 69.244 -9.952 2.121 1.00 0.78 C ATOM 619 O GLY A 42 70.403 -9.935 1.758 1.00 0.84 O ATOM 0 H GLY A 42 66.957 -8.544 3.941 1.00 0.72 H new ATOM 0 HA2 GLY A 42 69.707 -9.044 4.027 1.00 0.91 H new ATOM 0 HA3 GLY A 42 68.465 -10.277 4.111 1.00 0.91 H new ATOM 623 N LYS A 43 68.296 -10.397 1.342 1.00 0.77 N ATOM 624 CA LYS A 43 68.628 -10.898 -0.022 1.00 0.86 C ATOM 625 C LYS A 43 68.969 -9.725 -0.944 1.00 0.79 C ATOM 626 O LYS A 43 69.520 -9.902 -2.012 1.00 0.99 O ATOM 627 CB LYS A 43 67.364 -11.610 -0.502 1.00 0.95 C ATOM 628 CG LYS A 43 67.207 -12.932 0.251 1.00 1.34 C ATOM 629 CD LYS A 43 66.610 -13.985 -0.684 1.00 2.13 C ATOM 630 CE LYS A 43 65.454 -14.697 0.020 1.00 2.65 C ATOM 631 NZ LYS A 43 66.099 -15.517 1.082 1.00 2.98 N ATOM 0 H LYS A 43 67.307 -10.435 1.591 1.00 0.77 H new ATOM 0 HA LYS A 43 69.492 -11.563 -0.020 1.00 0.86 H new ATOM 0 HB2 LYS A 43 66.492 -10.978 -0.335 1.00 0.95 H new ATOM 0 HB3 LYS A 43 67.423 -11.795 -1.575 1.00 0.95 H new ATOM 0 HG2 LYS A 43 68.175 -13.268 0.623 1.00 1.34 H new ATOM 0 HG3 LYS A 43 66.562 -12.794 1.119 1.00 1.34 H new ATOM 0 HD2 LYS A 43 66.256 -13.514 -1.601 1.00 2.13 H new ATOM 0 HD3 LYS A 43 67.375 -14.707 -0.971 1.00 2.13 H new ATOM 0 HE2 LYS A 43 64.750 -13.982 0.446 1.00 2.65 H new ATOM 0 HE3 LYS A 43 64.893 -15.321 -0.675 1.00 2.65 H new ATOM 0 HZ1 LYS A 43 65.443 -16.263 1.391 1.00 2.98 H new ATOM 0 HZ2 LYS A 43 66.966 -15.952 0.706 1.00 2.98 H new ATOM 0 HZ3 LYS A 43 66.339 -14.910 1.892 1.00 2.98 H new ATOM 645 N VAL A 44 68.646 -8.527 -0.541 1.00 0.72 N ATOM 646 CA VAL A 44 68.956 -7.345 -1.394 1.00 0.93 C ATOM 647 C VAL A 44 70.389 -6.875 -1.135 1.00 0.89 C ATOM 648 O VAL A 44 71.023 -6.284 -1.987 1.00 1.06 O ATOM 649 CB VAL A 44 67.955 -6.273 -0.963 1.00 1.18 C ATOM 650 CG1 VAL A 44 68.186 -4.999 -1.776 1.00 1.72 C ATOM 651 CG2 VAL A 44 66.531 -6.779 -1.206 1.00 1.80 C ATOM 0 H VAL A 44 68.181 -8.315 0.342 1.00 0.72 H new ATOM 0 HA VAL A 44 68.879 -7.569 -2.458 1.00 0.93 H new ATOM 0 HB VAL A 44 68.091 -6.057 0.097 1.00 1.18 H new ATOM 0 HG11 VAL A 44 67.471 -4.236 -1.467 1.00 1.72 H new ATOM 0 HG12 VAL A 44 69.200 -4.637 -1.605 1.00 1.72 H new ATOM 0 HG13 VAL A 44 68.052 -5.214 -2.836 1.00 1.72 H new ATOM 0 HG21 VAL A 44 65.816 -6.015 -0.899 1.00 1.80 H new ATOM 0 HG22 VAL A 44 66.398 -6.996 -2.266 1.00 1.80 H new ATOM 0 HG23 VAL A 44 66.364 -7.687 -0.626 1.00 1.80 H new ATOM 661 N MET A 45 70.901 -7.132 0.037 1.00 0.86 N ATOM 662 CA MET A 45 72.291 -6.698 0.359 1.00 1.06 C ATOM 663 C MET A 45 73.310 -7.682 -0.227 1.00 1.08 C ATOM 664 O MET A 45 74.249 -7.296 -0.893 1.00 1.14 O ATOM 665 CB MET A 45 72.360 -6.707 1.885 1.00 1.34 C ATOM 666 CG MET A 45 71.739 -5.419 2.433 1.00 1.88 C ATOM 667 SD MET A 45 72.681 -4.863 3.875 1.00 2.45 S ATOM 668 CE MET A 45 72.339 -3.094 3.702 1.00 3.35 C ATOM 0 H MET A 45 70.416 -7.625 0.787 1.00 0.86 H new ATOM 0 HA MET A 45 72.523 -5.718 -0.059 1.00 1.06 H new ATOM 0 HB2 MET A 45 71.830 -7.575 2.278 1.00 1.34 H new ATOM 0 HB3 MET A 45 73.396 -6.791 2.212 1.00 1.34 H new ATOM 0 HG2 MET A 45 71.740 -4.646 1.664 1.00 1.88 H new ATOM 0 HG3 MET A 45 70.699 -5.593 2.709 1.00 1.88 H new ATOM 0 HE1 MET A 45 73.279 -2.542 3.685 1.00 3.35 H new ATOM 0 HE2 MET A 45 71.797 -2.917 2.773 1.00 3.35 H new ATOM 0 HE3 MET A 45 71.735 -2.756 4.544 1.00 3.35 H new ATOM 678 N ARG A 46 73.136 -8.951 0.027 1.00 1.20 N ATOM 679 CA ARG A 46 74.101 -9.959 -0.505 1.00 1.46 C ATOM 680 C ARG A 46 73.992 -10.065 -2.029 1.00 1.52 C ATOM 681 O ARG A 46 74.934 -10.435 -2.700 1.00 1.73 O ATOM 682 CB ARG A 46 73.694 -11.279 0.152 1.00 1.74 C ATOM 683 CG ARG A 46 74.792 -12.321 -0.074 1.00 1.93 C ATOM 684 CD ARG A 46 74.317 -13.351 -1.101 1.00 2.48 C ATOM 685 NE ARG A 46 75.106 -14.578 -0.807 1.00 2.64 N ATOM 686 CZ ARG A 46 74.848 -15.689 -1.441 1.00 3.08 C ATOM 687 NH1 ARG A 46 75.453 -15.954 -2.567 1.00 3.64 N ATOM 688 NH2 ARG A 46 73.984 -16.535 -0.951 1.00 3.41 N ATOM 0 H ARG A 46 72.369 -9.334 0.579 1.00 1.20 H new ATOM 0 HA ARG A 46 75.134 -9.689 -0.285 1.00 1.46 H new ATOM 0 HB2 ARG A 46 73.532 -11.131 1.220 1.00 1.74 H new ATOM 0 HB3 ARG A 46 72.752 -11.631 -0.268 1.00 1.74 H new ATOM 0 HG2 ARG A 46 75.702 -11.835 -0.425 1.00 1.93 H new ATOM 0 HG3 ARG A 46 75.037 -12.816 0.866 1.00 1.93 H new ATOM 0 HD2 ARG A 46 73.247 -13.538 -1.007 1.00 2.48 H new ATOM 0 HD3 ARG A 46 74.492 -13.003 -2.119 1.00 2.48 H new ATOM 0 HE ARG A 46 75.849 -14.551 -0.109 1.00 2.64 H new ATOM 0 HH11 ARG A 46 76.128 -15.293 -2.951 1.00 3.64 H new ATOM 0 HH12 ARG A 46 75.251 -16.823 -3.062 1.00 3.64 H new ATOM 0 HH21 ARG A 46 73.510 -16.328 -0.072 1.00 3.41 H new ATOM 0 HH22 ARG A 46 73.783 -17.403 -1.447 1.00 3.41 H new ATOM 702 N MET A 47 72.853 -9.752 -2.582 1.00 1.46 N ATOM 703 CA MET A 47 72.698 -9.848 -4.063 1.00 1.73 C ATOM 704 C MET A 47 73.311 -8.620 -4.747 1.00 1.75 C ATOM 705 O MET A 47 73.743 -8.682 -5.882 1.00 2.01 O ATOM 706 CB MET A 47 71.188 -9.913 -4.305 1.00 1.70 C ATOM 707 CG MET A 47 70.579 -8.517 -4.166 1.00 1.96 C ATOM 708 SD MET A 47 70.609 -7.685 -5.774 1.00 1.94 S ATOM 709 CE MET A 47 69.228 -8.583 -6.521 1.00 1.52 C ATOM 0 H MET A 47 72.026 -9.435 -2.076 1.00 1.46 H new ATOM 0 HA MET A 47 73.209 -10.719 -4.474 1.00 1.73 H new ATOM 0 HB2 MET A 47 70.987 -10.310 -5.300 1.00 1.70 H new ATOM 0 HB3 MET A 47 70.725 -10.594 -3.591 1.00 1.70 H new ATOM 0 HG2 MET A 47 69.555 -8.590 -3.801 1.00 1.96 H new ATOM 0 HG3 MET A 47 71.138 -7.936 -3.433 1.00 1.96 H new ATOM 0 HE1 MET A 47 69.495 -8.883 -7.534 1.00 1.52 H new ATOM 0 HE2 MET A 47 69.006 -9.469 -5.927 1.00 1.52 H new ATOM 0 HE3 MET A 47 68.350 -7.938 -6.553 1.00 1.52 H new ATOM 719 N LEU A 48 73.351 -7.506 -4.070 1.00 1.60 N ATOM 720 CA LEU A 48 73.936 -6.280 -4.686 1.00 1.69 C ATOM 721 C LEU A 48 75.454 -6.262 -4.490 1.00 1.68 C ATOM 722 O LEU A 48 76.187 -5.710 -5.287 1.00 1.99 O ATOM 723 CB LEU A 48 73.286 -5.112 -3.943 1.00 1.73 C ATOM 724 CG LEU A 48 71.795 -5.060 -4.281 1.00 1.75 C ATOM 725 CD1 LEU A 48 71.123 -3.961 -3.454 1.00 1.86 C ATOM 726 CD2 LEU A 48 71.621 -4.756 -5.770 1.00 2.15 C ATOM 0 H LEU A 48 73.004 -7.391 -3.118 1.00 1.60 H new ATOM 0 HA LEU A 48 73.754 -6.231 -5.760 1.00 1.69 H new ATOM 0 HB2 LEU A 48 73.422 -5.230 -2.868 1.00 1.73 H new ATOM 0 HB3 LEU A 48 73.767 -4.175 -4.225 1.00 1.73 H new ATOM 0 HG LEU A 48 71.336 -6.021 -4.050 1.00 1.75 H new ATOM 0 HD11 LEU A 48 70.060 -3.923 -3.694 1.00 1.86 H new ATOM 0 HD12 LEU A 48 71.248 -4.176 -2.393 1.00 1.86 H new ATOM 0 HD13 LEU A 48 71.582 -3.000 -3.685 1.00 1.86 H new ATOM 0 HD21 LEU A 48 70.559 -4.719 -6.012 1.00 2.15 H new ATOM 0 HD22 LEU A 48 72.080 -3.795 -6.001 1.00 2.15 H new ATOM 0 HD23 LEU A 48 72.100 -5.538 -6.359 1.00 2.15 H new ATOM 738 N GLY A 49 75.931 -6.859 -3.432 1.00 1.63 N ATOM 739 CA GLY A 49 77.400 -6.875 -3.183 1.00 1.87 C ATOM 740 C GLY A 49 77.674 -6.435 -1.745 1.00 1.54 C ATOM 741 O GLY A 49 78.623 -5.728 -1.471 1.00 1.53 O ATOM 0 H GLY A 49 75.367 -7.336 -2.729 1.00 1.63 H new ATOM 0 HA2 GLY A 49 77.798 -7.876 -3.351 1.00 1.87 H new ATOM 0 HA3 GLY A 49 77.906 -6.209 -3.882 1.00 1.87 H new ATOM 745 N GLN A 50 76.847 -6.846 -0.823 1.00 1.37 N ATOM 746 CA GLN A 50 77.057 -6.448 0.598 1.00 1.17 C ATOM 747 C GLN A 50 76.980 -7.676 1.509 1.00 1.24 C ATOM 748 O GLN A 50 76.197 -8.578 1.287 1.00 1.75 O ATOM 749 CB GLN A 50 75.916 -5.480 0.911 1.00 1.29 C ATOM 750 CG GLN A 50 76.229 -4.111 0.306 1.00 1.28 C ATOM 751 CD GLN A 50 76.180 -3.047 1.404 1.00 1.41 C ATOM 752 OE1 GLN A 50 75.032 -2.730 1.936 1.00 1.89 O flip ATOM 753 NE2 GLN A 50 77.198 -2.500 1.780 1.00 1.85 N flip ATOM 0 H GLN A 50 76.035 -7.440 -0.992 1.00 1.37 H new ATOM 0 HA GLN A 50 78.035 -5.993 0.758 1.00 1.17 H new ATOM 0 HB2 GLN A 50 74.979 -5.863 0.507 1.00 1.29 H new ATOM 0 HB3 GLN A 50 75.785 -5.392 1.990 1.00 1.29 H new ATOM 0 HG2 GLN A 50 77.214 -4.124 -0.160 1.00 1.28 H new ATOM 0 HG3 GLN A 50 75.509 -3.874 -0.478 1.00 1.28 H new ATOM 0 HE21 GLN A 50 78.095 -2.749 1.363 1.00 1.85 H new ATOM 0 HE22 GLN A 50 77.156 -1.792 2.513 1.00 1.85 H new ATOM 762 N ASN A 51 77.785 -7.713 2.534 1.00 1.18 N ATOM 763 CA ASN A 51 77.757 -8.879 3.463 1.00 1.29 C ATOM 764 C ASN A 51 77.878 -8.398 4.911 1.00 1.07 C ATOM 765 O ASN A 51 78.666 -8.920 5.676 1.00 1.45 O ATOM 766 CB ASN A 51 78.971 -9.722 3.074 1.00 1.96 C ATOM 767 CG ASN A 51 78.566 -11.196 3.003 1.00 2.61 C ATOM 768 OD1 ASN A 51 78.107 -11.664 1.981 1.00 3.07 O ATOM 769 ND2 ASN A 51 78.719 -11.953 4.055 1.00 3.29 N ATOM 0 H ASN A 51 78.461 -6.987 2.769 1.00 1.18 H new ATOM 0 HA ASN A 51 76.829 -9.446 3.392 1.00 1.29 H new ATOM 0 HB2 ASN A 51 79.361 -9.394 2.111 1.00 1.96 H new ATOM 0 HB3 ASN A 51 79.769 -9.588 3.804 1.00 1.96 H new ATOM 0 HD21 ASN A 51 78.453 -12.937 4.018 1.00 3.29 H new ATOM 0 HD22 ASN A 51 79.105 -11.561 4.914 1.00 3.29 H new ATOM 776 N PRO A 52 77.087 -7.413 5.239 1.00 1.47 N ATOM 777 CA PRO A 52 77.099 -6.847 6.610 1.00 2.11 C ATOM 778 C PRO A 52 76.473 -7.830 7.603 1.00 1.79 C ATOM 779 O PRO A 52 76.224 -8.976 7.284 1.00 2.07 O ATOM 780 CB PRO A 52 76.251 -5.584 6.485 1.00 2.97 C ATOM 781 CG PRO A 52 75.358 -5.836 5.312 1.00 2.97 C ATOM 782 CD PRO A 52 76.114 -6.739 4.373 1.00 2.03 C ATOM 0 HA PRO A 52 78.104 -6.644 6.980 1.00 2.11 H new ATOM 0 HB2 PRO A 52 75.672 -5.405 7.391 1.00 2.97 H new ATOM 0 HB3 PRO A 52 76.874 -4.704 6.326 1.00 2.97 H new ATOM 0 HG2 PRO A 52 74.426 -6.303 5.630 1.00 2.97 H new ATOM 0 HG3 PRO A 52 75.094 -4.900 4.819 1.00 2.97 H new ATOM 0 HD2 PRO A 52 75.451 -7.454 3.885 1.00 2.03 H new ATOM 0 HD3 PRO A 52 76.607 -6.172 3.584 1.00 2.03 H new ATOM 790 N THR A 53 76.218 -7.391 8.805 1.00 1.42 N ATOM 791 CA THR A 53 75.609 -8.299 9.819 1.00 1.16 C ATOM 792 C THR A 53 74.131 -7.953 10.021 1.00 0.98 C ATOM 793 O THR A 53 73.677 -6.902 9.611 1.00 0.92 O ATOM 794 CB THR A 53 76.399 -8.044 11.103 1.00 1.19 C ATOM 795 OG1 THR A 53 77.004 -6.760 11.036 1.00 1.40 O ATOM 796 CG2 THR A 53 77.482 -9.114 11.258 1.00 1.36 C ATOM 0 H THR A 53 76.405 -6.442 9.129 1.00 1.42 H new ATOM 0 HA THR A 53 75.651 -9.345 9.514 1.00 1.16 H new ATOM 0 HB THR A 53 75.726 -8.085 11.960 1.00 1.19 H new ATOM 0 HG1 THR A 53 77.510 -6.593 11.859 1.00 1.40 H new ATOM 0 HG21 THR A 53 78.045 -8.932 12.173 1.00 1.36 H new ATOM 0 HG22 THR A 53 77.016 -10.098 11.308 1.00 1.36 H new ATOM 0 HG23 THR A 53 78.157 -9.075 10.403 1.00 1.36 H new ATOM 804 N PRO A 54 73.429 -8.856 10.649 1.00 0.99 N ATOM 805 CA PRO A 54 71.985 -8.653 10.914 1.00 1.04 C ATOM 806 C PRO A 54 71.785 -7.613 12.021 1.00 0.93 C ATOM 807 O PRO A 54 70.739 -7.005 12.132 1.00 0.94 O ATOM 808 CB PRO A 54 71.508 -10.030 11.368 1.00 1.19 C ATOM 809 CG PRO A 54 72.729 -10.706 11.908 1.00 1.18 C ATOM 810 CD PRO A 54 73.913 -10.141 11.167 1.00 1.10 C ATOM 0 HA PRO A 54 71.438 -8.282 10.047 1.00 1.04 H new ATOM 0 HB2 PRO A 54 70.733 -9.947 12.130 1.00 1.19 H new ATOM 0 HB3 PRO A 54 71.080 -10.593 10.538 1.00 1.19 H new ATOM 0 HG2 PRO A 54 72.825 -10.529 12.979 1.00 1.18 H new ATOM 0 HG3 PRO A 54 72.666 -11.785 11.767 1.00 1.18 H new ATOM 0 HD2 PRO A 54 74.770 -10.008 11.827 1.00 1.10 H new ATOM 0 HD3 PRO A 54 74.231 -10.802 10.361 1.00 1.10 H new ATOM 818 N GLU A 55 72.780 -7.405 12.839 1.00 0.98 N ATOM 819 CA GLU A 55 72.646 -6.404 13.936 1.00 1.08 C ATOM 820 C GLU A 55 72.900 -4.993 13.400 1.00 0.97 C ATOM 821 O GLU A 55 72.422 -4.016 13.943 1.00 1.01 O ATOM 822 CB GLU A 55 73.719 -6.790 14.956 1.00 1.28 C ATOM 823 CG GLU A 55 73.107 -6.810 16.359 1.00 2.15 C ATOM 824 CD GLU A 55 73.895 -7.776 17.246 1.00 2.57 C ATOM 825 OE1 GLU A 55 74.955 -8.207 16.823 1.00 2.81 O ATOM 826 OE2 GLU A 55 73.426 -8.067 18.334 1.00 3.14 O ATOM 0 H GLU A 55 73.679 -7.884 12.796 1.00 0.98 H new ATOM 0 HA GLU A 55 71.648 -6.402 14.373 1.00 1.08 H new ATOM 0 HB2 GLU A 55 74.131 -7.770 14.713 1.00 1.28 H new ATOM 0 HB3 GLU A 55 74.544 -6.079 14.918 1.00 1.28 H new ATOM 0 HG2 GLU A 55 73.124 -5.809 16.789 1.00 2.15 H new ATOM 0 HG3 GLU A 55 72.062 -7.117 16.307 1.00 2.15 H new ATOM 833 N GLU A 56 73.651 -4.877 12.339 1.00 0.92 N ATOM 834 CA GLU A 56 73.935 -3.529 11.770 1.00 0.94 C ATOM 835 C GLU A 56 72.762 -3.060 10.905 1.00 0.84 C ATOM 836 O GLU A 56 72.403 -1.900 10.904 1.00 0.94 O ATOM 837 CB GLU A 56 75.189 -3.715 10.916 1.00 1.06 C ATOM 838 CG GLU A 56 75.749 -2.346 10.524 1.00 1.60 C ATOM 839 CD GLU A 56 76.681 -2.501 9.321 1.00 1.83 C ATOM 840 OE1 GLU A 56 76.494 -3.444 8.569 1.00 2.08 O ATOM 841 OE2 GLU A 56 77.565 -1.672 9.171 1.00 2.50 O ATOM 0 H GLU A 56 74.080 -5.657 11.842 1.00 0.92 H new ATOM 0 HA GLU A 56 74.077 -2.777 12.546 1.00 0.94 H new ATOM 0 HB2 GLU A 56 75.938 -4.281 11.470 1.00 1.06 H new ATOM 0 HB3 GLU A 56 74.951 -4.291 10.022 1.00 1.06 H new ATOM 0 HG2 GLU A 56 74.934 -1.664 10.281 1.00 1.60 H new ATOM 0 HG3 GLU A 56 76.290 -1.909 11.363 1.00 1.60 H new ATOM 848 N LEU A 57 72.161 -3.955 10.169 1.00 0.73 N ATOM 849 CA LEU A 57 71.012 -3.559 9.305 1.00 0.78 C ATOM 850 C LEU A 57 70.044 -2.667 10.087 1.00 0.80 C ATOM 851 O LEU A 57 69.807 -1.530 9.731 1.00 0.89 O ATOM 852 CB LEU A 57 70.335 -4.874 8.919 1.00 0.85 C ATOM 853 CG LEU A 57 70.622 -5.183 7.449 1.00 0.84 C ATOM 854 CD1 LEU A 57 71.208 -6.590 7.328 1.00 1.30 C ATOM 855 CD2 LEU A 57 69.319 -5.103 6.649 1.00 1.10 C ATOM 0 H LEU A 57 72.415 -4.942 10.128 1.00 0.73 H new ATOM 0 HA LEU A 57 71.330 -2.992 8.430 1.00 0.78 H new ATOM 0 HB2 LEU A 57 70.702 -5.683 9.550 1.00 0.85 H new ATOM 0 HB3 LEU A 57 69.260 -4.804 9.084 1.00 0.85 H new ATOM 0 HG LEU A 57 71.336 -4.458 7.058 1.00 0.84 H new ATOM 0 HD11 LEU A 57 71.412 -6.810 6.280 1.00 1.30 H new ATOM 0 HD12 LEU A 57 72.135 -6.648 7.899 1.00 1.30 H new ATOM 0 HD13 LEU A 57 70.495 -7.316 7.719 1.00 1.30 H new ATOM 0 HD21 LEU A 57 69.522 -5.323 5.601 1.00 1.10 H new ATOM 0 HD22 LEU A 57 68.606 -5.829 7.041 1.00 1.10 H new ATOM 0 HD23 LEU A 57 68.900 -4.100 6.735 1.00 1.10 H new ATOM 867 N GLN A 58 69.481 -3.173 11.151 1.00 0.81 N ATOM 868 CA GLN A 58 68.528 -2.354 11.953 1.00 0.95 C ATOM 869 C GLN A 58 69.125 -0.974 12.243 1.00 0.99 C ATOM 870 O GLN A 58 68.425 0.019 12.286 1.00 1.13 O ATOM 871 CB GLN A 58 68.329 -3.135 13.253 1.00 1.09 C ATOM 872 CG GLN A 58 67.003 -2.723 13.897 1.00 1.25 C ATOM 873 CD GLN A 58 65.858 -3.513 13.261 1.00 1.41 C ATOM 874 OE1 GLN A 58 65.855 -4.727 13.287 1.00 1.97 O ATOM 875 NE2 GLN A 58 64.878 -2.870 12.688 1.00 1.74 N ATOM 0 H GLN A 58 69.640 -4.118 11.499 1.00 0.81 H new ATOM 0 HA GLN A 58 67.587 -2.188 11.428 1.00 0.95 H new ATOM 0 HB2 GLN A 58 68.330 -4.206 13.050 1.00 1.09 H new ATOM 0 HB3 GLN A 58 69.154 -2.939 13.937 1.00 1.09 H new ATOM 0 HG2 GLN A 58 67.035 -2.909 14.970 1.00 1.25 H new ATOM 0 HG3 GLN A 58 66.839 -1.654 13.764 1.00 1.25 H new ATOM 0 HE21 GLN A 58 64.881 -1.850 12.666 1.00 1.74 H new ATOM 0 HE22 GLN A 58 64.109 -3.387 12.262 1.00 1.74 H new ATOM 884 N GLU A 59 70.413 -0.902 12.444 1.00 0.97 N ATOM 885 CA GLU A 59 71.049 0.416 12.732 1.00 1.14 C ATOM 886 C GLU A 59 70.945 1.332 11.509 1.00 1.11 C ATOM 887 O GLU A 59 70.338 2.383 11.559 1.00 1.18 O ATOM 888 CB GLU A 59 72.511 0.092 13.037 1.00 1.23 C ATOM 889 CG GLU A 59 72.579 -0.940 14.165 1.00 1.60 C ATOM 890 CD GLU A 59 73.569 -0.466 15.231 1.00 2.19 C ATOM 891 OE1 GLU A 59 73.865 0.717 15.253 1.00 2.75 O ATOM 892 OE2 GLU A 59 74.015 -1.295 16.006 1.00 2.77 O ATOM 0 H GLU A 59 71.052 -1.697 12.421 1.00 0.97 H new ATOM 0 HA GLU A 59 70.566 0.936 13.559 1.00 1.14 H new ATOM 0 HB2 GLU A 59 73.003 -0.296 12.145 1.00 1.23 H new ATOM 0 HB3 GLU A 59 73.043 0.998 13.326 1.00 1.23 H new ATOM 0 HG2 GLU A 59 71.592 -1.078 14.606 1.00 1.60 H new ATOM 0 HG3 GLU A 59 72.889 -1.907 13.769 1.00 1.60 H new ATOM 899 N MET A 60 71.534 0.943 10.412 1.00 1.11 N ATOM 900 CA MET A 60 71.469 1.794 9.189 1.00 1.18 C ATOM 901 C MET A 60 70.051 2.339 8.997 1.00 1.13 C ATOM 902 O MET A 60 69.852 3.521 8.800 1.00 1.25 O ATOM 903 CB MET A 60 71.847 0.863 8.037 1.00 1.22 C ATOM 904 CG MET A 60 73.272 1.172 7.576 1.00 1.62 C ATOM 905 SD MET A 60 73.988 -0.298 6.800 1.00 1.82 S ATOM 906 CE MET A 60 72.969 -0.281 5.305 1.00 2.02 C ATOM 0 H MET A 60 72.057 0.074 10.309 1.00 1.11 H new ATOM 0 HA MET A 60 72.134 2.656 9.251 1.00 1.18 H new ATOM 0 HB2 MET A 60 71.775 -0.176 8.357 1.00 1.22 H new ATOM 0 HB3 MET A 60 71.150 0.991 7.209 1.00 1.22 H new ATOM 0 HG2 MET A 60 73.265 2.002 6.870 1.00 1.62 H new ATOM 0 HG3 MET A 60 73.881 1.481 8.425 1.00 1.62 H new ATOM 0 HE1 MET A 60 73.560 -0.630 4.458 1.00 2.02 H new ATOM 0 HE2 MET A 60 72.110 -0.937 5.443 1.00 2.02 H new ATOM 0 HE3 MET A 60 72.623 0.734 5.112 1.00 2.02 H new ATOM 916 N ILE A 61 69.063 1.487 9.056 1.00 1.04 N ATOM 917 CA ILE A 61 67.660 1.961 8.877 1.00 1.11 C ATOM 918 C ILE A 61 67.288 2.933 10.004 1.00 1.23 C ATOM 919 O ILE A 61 66.929 4.069 9.761 1.00 1.40 O ATOM 920 CB ILE A 61 66.806 0.686 8.929 1.00 1.13 C ATOM 921 CG1 ILE A 61 66.664 0.123 7.514 1.00 1.17 C ATOM 922 CG2 ILE A 61 65.411 0.997 9.481 1.00 1.36 C ATOM 923 CD1 ILE A 61 67.120 -1.336 7.497 1.00 1.14 C ATOM 0 H ILE A 61 69.166 0.486 9.220 1.00 1.04 H new ATOM 0 HA ILE A 61 67.511 2.502 7.943 1.00 1.11 H new ATOM 0 HB ILE A 61 67.293 -0.039 9.581 1.00 1.13 H new ATOM 0 HG12 ILE A 61 65.627 0.195 7.185 1.00 1.17 H new ATOM 0 HG13 ILE A 61 67.261 0.710 6.816 1.00 1.17 H new ATOM 0 HG21 ILE A 61 64.819 0.082 9.511 1.00 1.36 H new ATOM 0 HG22 ILE A 61 65.501 1.404 10.488 1.00 1.36 H new ATOM 0 HG23 ILE A 61 64.919 1.726 8.837 1.00 1.36 H new ATOM 0 HD11 ILE A 61 67.019 -1.737 6.489 1.00 1.14 H new ATOM 0 HD12 ILE A 61 68.163 -1.395 7.808 1.00 1.14 H new ATOM 0 HD13 ILE A 61 66.504 -1.918 8.182 1.00 1.14 H new ATOM 935 N ASP A 62 67.369 2.497 11.231 1.00 1.23 N ATOM 936 CA ASP A 62 67.016 3.395 12.369 1.00 1.43 C ATOM 937 C ASP A 62 67.581 4.798 12.133 1.00 1.48 C ATOM 938 O ASP A 62 67.034 5.782 12.592 1.00 1.67 O ATOM 939 CB ASP A 62 67.665 2.755 13.597 1.00 1.51 C ATOM 940 CG ASP A 62 67.377 3.614 14.830 1.00 1.54 C ATOM 941 OD1 ASP A 62 66.812 4.682 14.666 1.00 2.13 O ATOM 942 OD2 ASP A 62 67.729 3.188 15.918 1.00 1.79 O ATOM 0 H ASP A 62 67.664 1.557 11.496 1.00 1.23 H new ATOM 0 HA ASP A 62 65.938 3.504 12.488 1.00 1.43 H new ATOM 0 HB2 ASP A 62 67.277 1.747 13.744 1.00 1.51 H new ATOM 0 HB3 ASP A 62 68.741 2.663 13.447 1.00 1.51 H new ATOM 947 N GLU A 63 68.669 4.898 11.421 1.00 1.41 N ATOM 948 CA GLU A 63 69.267 6.239 11.157 1.00 1.52 C ATOM 949 C GLU A 63 68.541 6.923 9.996 1.00 1.47 C ATOM 950 O GLU A 63 67.933 7.963 10.157 1.00 1.80 O ATOM 951 CB GLU A 63 70.723 5.955 10.786 1.00 1.55 C ATOM 952 CG GLU A 63 71.650 6.672 11.770 1.00 2.11 C ATOM 953 CD GLU A 63 72.754 5.715 12.222 1.00 2.26 C ATOM 954 OE1 GLU A 63 73.426 5.169 11.363 1.00 2.32 O ATOM 955 OE2 GLU A 63 72.909 5.543 13.420 1.00 2.93 O ATOM 0 H GLU A 63 69.170 4.110 11.010 1.00 1.41 H new ATOM 0 HA GLU A 63 69.187 6.904 12.017 1.00 1.52 H new ATOM 0 HB2 GLU A 63 70.912 4.882 10.808 1.00 1.55 H new ATOM 0 HB3 GLU A 63 70.923 6.293 9.769 1.00 1.55 H new ATOM 0 HG2 GLU A 63 72.088 7.552 11.298 1.00 2.11 H new ATOM 0 HG3 GLU A 63 71.082 7.022 12.632 1.00 2.11 H new ATOM 962 N VAL A 64 68.601 6.350 8.825 1.00 1.33 N ATOM 963 CA VAL A 64 67.917 6.968 7.654 1.00 1.29 C ATOM 964 C VAL A 64 66.399 6.962 7.859 1.00 1.21 C ATOM 965 O VAL A 64 65.712 7.898 7.504 1.00 1.50 O ATOM 966 CB VAL A 64 68.301 6.089 6.464 1.00 1.40 C ATOM 967 CG1 VAL A 64 69.812 5.843 6.476 1.00 1.69 C ATOM 968 CG2 VAL A 64 67.568 4.748 6.564 1.00 1.31 C ATOM 0 H VAL A 64 69.095 5.479 8.629 1.00 1.33 H new ATOM 0 HA VAL A 64 68.211 8.007 7.507 1.00 1.29 H new ATOM 0 HB VAL A 64 68.021 6.591 5.538 1.00 1.40 H new ATOM 0 HG11 VAL A 64 70.085 5.216 5.627 1.00 1.69 H new ATOM 0 HG12 VAL A 64 70.336 6.796 6.407 1.00 1.69 H new ATOM 0 HG13 VAL A 64 70.092 5.341 7.402 1.00 1.69 H new ATOM 0 HG21 VAL A 64 67.841 4.120 5.716 1.00 1.31 H new ATOM 0 HG22 VAL A 64 67.849 4.248 7.491 1.00 1.31 H new ATOM 0 HG23 VAL A 64 66.492 4.920 6.556 1.00 1.31 H new ATOM 978 N ASP A 65 65.870 5.913 8.429 1.00 1.27 N ATOM 979 CA ASP A 65 64.397 5.850 8.656 1.00 1.38 C ATOM 980 C ASP A 65 63.923 7.097 9.407 1.00 2.07 C ATOM 981 O ASP A 65 64.467 7.461 10.430 1.00 2.61 O ATOM 982 CB ASP A 65 64.181 4.596 9.506 1.00 1.38 C ATOM 983 CG ASP A 65 62.774 4.047 9.261 1.00 1.66 C ATOM 984 OD1 ASP A 65 62.037 4.669 8.515 1.00 1.47 O ATOM 985 OD2 ASP A 65 62.457 3.011 9.826 1.00 2.59 O ATOM 0 H ASP A 65 66.393 5.097 8.747 1.00 1.27 H new ATOM 0 HA ASP A 65 63.836 5.811 7.722 1.00 1.38 H new ATOM 0 HB2 ASP A 65 64.926 3.841 9.255 1.00 1.38 H new ATOM 0 HB3 ASP A 65 64.311 4.833 10.562 1.00 1.38 H new ATOM 990 N GLU A 66 62.912 7.754 8.908 1.00 2.65 N ATOM 991 CA GLU A 66 62.404 8.976 9.596 1.00 3.74 C ATOM 992 C GLU A 66 61.318 8.603 10.607 1.00 4.00 C ATOM 993 O GLU A 66 60.815 9.439 11.330 1.00 4.93 O ATOM 994 CB GLU A 66 61.823 9.846 8.481 1.00 4.58 C ATOM 995 CG GLU A 66 60.511 9.232 7.987 1.00 5.25 C ATOM 996 CD GLU A 66 60.582 9.025 6.473 1.00 6.17 C ATOM 997 OE1 GLU A 66 60.280 9.962 5.752 1.00 6.61 O ATOM 998 OE2 GLU A 66 60.937 7.934 6.061 1.00 6.67 O ATOM 0 H GLU A 66 62.416 7.498 8.054 1.00 2.65 H new ATOM 0 HA GLU A 66 63.188 9.493 10.150 1.00 3.74 H new ATOM 0 HB2 GLU A 66 61.648 10.857 8.848 1.00 4.58 H new ATOM 0 HB3 GLU A 66 62.533 9.924 7.658 1.00 4.58 H new ATOM 0 HG2 GLU A 66 60.332 8.280 8.487 1.00 5.25 H new ATOM 0 HG3 GLU A 66 59.675 9.885 8.237 1.00 5.25 H new ATOM 1005 N ASP A 67 60.951 7.351 10.661 1.00 3.32 N ATOM 1006 CA ASP A 67 59.896 6.925 11.626 1.00 3.69 C ATOM 1007 C ASP A 67 60.321 5.638 12.337 1.00 3.25 C ATOM 1008 O ASP A 67 59.538 5.006 13.019 1.00 3.49 O ATOM 1009 CB ASP A 67 58.652 6.682 10.771 1.00 3.68 C ATOM 1010 CG ASP A 67 58.895 5.496 9.835 1.00 3.08 C ATOM 1011 OD1 ASP A 67 59.957 5.445 9.237 1.00 2.33 O ATOM 1012 OD2 ASP A 67 58.013 4.659 9.731 1.00 3.83 O ATOM 0 H ASP A 67 61.335 6.606 10.080 1.00 3.32 H new ATOM 0 HA ASP A 67 59.717 7.671 12.400 1.00 3.69 H new ATOM 0 HB2 ASP A 67 57.792 6.483 11.411 1.00 3.68 H new ATOM 0 HB3 ASP A 67 58.418 7.574 10.190 1.00 3.68 H new ATOM 1017 N GLY A 68 61.556 5.245 12.183 1.00 2.98 N ATOM 1018 CA GLY A 68 62.030 3.999 12.849 1.00 3.17 C ATOM 1019 C GLY A 68 60.980 2.898 12.686 1.00 2.42 C ATOM 1020 O GLY A 68 60.411 2.424 13.649 1.00 3.05 O ATOM 0 H GLY A 68 62.257 5.733 11.625 1.00 2.98 H new ATOM 0 HA2 GLY A 68 62.977 3.680 12.414 1.00 3.17 H new ATOM 0 HA3 GLY A 68 62.213 4.187 13.907 1.00 3.17 H new ATOM 1024 N SER A 69 60.721 2.487 11.476 1.00 1.46 N ATOM 1025 CA SER A 69 59.711 1.414 11.255 1.00 1.52 C ATOM 1026 C SER A 69 60.381 0.176 10.655 1.00 1.64 C ATOM 1027 O SER A 69 59.725 -0.776 10.280 1.00 2.49 O ATOM 1028 CB SER A 69 58.704 2.011 10.272 1.00 2.44 C ATOM 1029 OG SER A 69 59.403 2.688 9.236 1.00 2.71 O ATOM 0 H SER A 69 61.164 2.847 10.631 1.00 1.46 H new ATOM 0 HA SER A 69 59.233 1.099 12.182 1.00 1.52 H new ATOM 0 HB2 SER A 69 58.079 1.223 9.850 1.00 2.44 H new ATOM 0 HB3 SER A 69 58.039 2.702 10.790 1.00 2.44 H new ATOM 0 HG SER A 69 59.505 2.091 8.466 1.00 2.71 H new ATOM 1035 N GLY A 70 61.683 0.179 10.561 1.00 1.28 N ATOM 1036 CA GLY A 70 62.392 -0.998 9.988 1.00 1.43 C ATOM 1037 C GLY A 70 61.846 -1.287 8.589 1.00 1.29 C ATOM 1038 O GLY A 70 61.636 -2.426 8.218 1.00 1.59 O ATOM 0 H GLY A 70 62.286 0.947 10.857 1.00 1.28 H new ATOM 0 HA2 GLY A 70 63.463 -0.803 9.939 1.00 1.43 H new ATOM 0 HA3 GLY A 70 62.255 -1.868 10.631 1.00 1.43 H new ATOM 1042 N THR A 71 61.611 -0.267 7.811 1.00 0.89 N ATOM 1043 CA THR A 71 61.073 -0.488 6.438 1.00 0.79 C ATOM 1044 C THR A 71 61.749 0.458 5.442 1.00 0.76 C ATOM 1045 O THR A 71 62.045 1.596 5.750 1.00 0.83 O ATOM 1046 CB THR A 71 59.579 -0.178 6.542 1.00 0.84 C ATOM 1047 OG1 THR A 71 59.402 1.110 7.117 1.00 1.45 O ATOM 1048 CG2 THR A 71 58.895 -1.228 7.418 1.00 1.08 C ATOM 0 H THR A 71 61.768 0.708 8.065 1.00 0.89 H new ATOM 0 HA THR A 71 61.256 -1.503 6.084 1.00 0.79 H new ATOM 0 HB THR A 71 59.136 -0.196 5.546 1.00 0.84 H new ATOM 0 HG1 THR A 71 58.445 1.310 7.183 1.00 1.45 H new ATOM 0 HG21 THR A 71 57.831 -1.004 7.490 1.00 1.08 H new ATOM 0 HG22 THR A 71 59.029 -2.215 6.975 1.00 1.08 H new ATOM 0 HG23 THR A 71 59.337 -1.214 8.414 1.00 1.08 H new ATOM 1056 N VAL A 72 61.992 -0.006 4.247 1.00 0.73 N ATOM 1057 CA VAL A 72 62.646 0.860 3.224 1.00 0.77 C ATOM 1058 C VAL A 72 61.942 0.690 1.875 1.00 0.80 C ATOM 1059 O VAL A 72 61.782 -0.409 1.382 1.00 1.00 O ATOM 1060 CB VAL A 72 64.088 0.357 3.150 1.00 0.85 C ATOM 1061 CG1 VAL A 72 64.804 1.010 1.966 1.00 1.13 C ATOM 1062 CG2 VAL A 72 64.815 0.718 4.448 1.00 1.13 C ATOM 0 H VAL A 72 61.765 -0.950 3.934 1.00 0.73 H new ATOM 0 HA VAL A 72 62.600 1.919 3.477 1.00 0.77 H new ATOM 0 HB VAL A 72 64.088 -0.725 3.016 1.00 0.85 H new ATOM 0 HG11 VAL A 72 65.831 0.648 1.918 1.00 1.13 H new ATOM 0 HG12 VAL A 72 64.286 0.755 1.042 1.00 1.13 H new ATOM 0 HG13 VAL A 72 64.806 2.092 2.094 1.00 1.13 H new ATOM 0 HG21 VAL A 72 65.844 0.361 4.400 1.00 1.13 H new ATOM 0 HG22 VAL A 72 64.812 1.800 4.578 1.00 1.13 H new ATOM 0 HG23 VAL A 72 64.308 0.250 5.292 1.00 1.13 H new ATOM 1072 N ASP A 73 61.509 1.767 1.278 1.00 0.77 N ATOM 1073 CA ASP A 73 60.807 1.656 -0.033 1.00 0.83 C ATOM 1074 C ASP A 73 61.680 2.206 -1.165 1.00 0.87 C ATOM 1075 O ASP A 73 62.891 2.231 -1.077 1.00 0.87 O ATOM 1076 CB ASP A 73 59.537 2.497 0.125 1.00 0.85 C ATOM 1077 CG ASP A 73 59.890 3.983 0.050 1.00 1.80 C ATOM 1078 OD1 ASP A 73 60.880 4.368 0.649 1.00 2.47 O ATOM 1079 OD2 ASP A 73 59.164 4.712 -0.605 1.00 2.57 O ATOM 0 H ASP A 73 61.610 2.715 1.639 1.00 0.77 H new ATOM 0 HA ASP A 73 60.584 0.620 -0.289 1.00 0.83 H new ATOM 0 HB2 ASP A 73 58.822 2.243 -0.657 1.00 0.85 H new ATOM 0 HB3 ASP A 73 59.058 2.275 1.079 1.00 0.85 H new ATOM 1084 N PHE A 74 61.066 2.644 -2.230 1.00 0.94 N ATOM 1085 CA PHE A 74 61.843 3.193 -3.381 1.00 0.98 C ATOM 1086 C PHE A 74 62.765 4.324 -2.916 1.00 0.86 C ATOM 1087 O PHE A 74 63.822 4.543 -3.474 1.00 0.83 O ATOM 1088 CB PHE A 74 60.778 3.720 -4.349 1.00 1.12 C ATOM 1089 CG PHE A 74 61.395 4.708 -5.311 1.00 1.33 C ATOM 1090 CD1 PHE A 74 62.693 4.499 -5.793 1.00 1.97 C ATOM 1091 CD2 PHE A 74 60.668 5.832 -5.719 1.00 2.22 C ATOM 1092 CE1 PHE A 74 63.264 5.417 -6.685 1.00 2.84 C ATOM 1093 CE2 PHE A 74 61.239 6.750 -6.611 1.00 3.01 C ATOM 1094 CZ PHE A 74 62.537 6.541 -7.093 1.00 3.18 C ATOM 0 H PHE A 74 60.054 2.646 -2.354 1.00 0.94 H new ATOM 0 HA PHE A 74 62.485 2.444 -3.845 1.00 0.98 H new ATOM 0 HB2 PHE A 74 60.335 2.891 -4.901 1.00 1.12 H new ATOM 0 HB3 PHE A 74 59.973 4.198 -3.791 1.00 1.12 H new ATOM 0 HD1 PHE A 74 63.254 3.631 -5.478 1.00 1.97 H new ATOM 0 HD2 PHE A 74 59.667 5.992 -5.347 1.00 2.22 H new ATOM 0 HE1 PHE A 74 64.265 5.257 -7.057 1.00 2.84 H new ATOM 0 HE2 PHE A 74 60.678 7.618 -6.926 1.00 3.01 H new ATOM 0 HZ PHE A 74 62.978 7.248 -7.780 1.00 3.18 H new ATOM 1104 N ASP A 75 62.375 5.050 -1.905 1.00 0.83 N ATOM 1105 CA ASP A 75 63.233 6.169 -1.419 1.00 0.76 C ATOM 1106 C ASP A 75 64.233 5.663 -0.377 1.00 0.69 C ATOM 1107 O ASP A 75 65.431 5.745 -0.562 1.00 0.65 O ATOM 1108 CB ASP A 75 62.262 7.168 -0.790 1.00 0.81 C ATOM 1109 CG ASP A 75 61.232 7.603 -1.833 1.00 0.99 C ATOM 1110 OD1 ASP A 75 61.616 7.782 -2.978 1.00 1.57 O ATOM 1111 OD2 ASP A 75 60.076 7.750 -1.470 1.00 1.49 O ATOM 0 H ASP A 75 61.502 4.918 -1.395 1.00 0.83 H new ATOM 0 HA ASP A 75 63.817 6.617 -2.223 1.00 0.76 H new ATOM 0 HB2 ASP A 75 61.760 6.715 0.065 1.00 0.81 H new ATOM 0 HB3 ASP A 75 62.807 8.035 -0.417 1.00 0.81 H new ATOM 1116 N GLU A 76 63.754 5.142 0.719 1.00 0.77 N ATOM 1117 CA GLU A 76 64.682 4.636 1.771 1.00 0.78 C ATOM 1118 C GLU A 76 65.776 3.767 1.143 1.00 0.70 C ATOM 1119 O GLU A 76 66.899 3.740 1.603 1.00 0.70 O ATOM 1120 CB GLU A 76 63.807 3.804 2.708 1.00 0.95 C ATOM 1121 CG GLU A 76 62.643 4.656 3.216 1.00 1.51 C ATOM 1122 CD GLU A 76 62.170 4.119 4.568 1.00 1.45 C ATOM 1123 OE1 GLU A 76 62.881 4.308 5.540 1.00 1.94 O ATOM 1124 OE2 GLU A 76 61.105 3.525 4.607 1.00 1.72 O ATOM 0 H GLU A 76 62.761 5.045 0.932 1.00 0.77 H new ATOM 0 HA GLU A 76 65.186 5.446 2.298 1.00 0.78 H new ATOM 0 HB2 GLU A 76 63.427 2.927 2.184 1.00 0.95 H new ATOM 0 HB3 GLU A 76 64.399 3.441 3.548 1.00 0.95 H new ATOM 0 HG2 GLU A 76 62.955 5.696 3.315 1.00 1.51 H new ATOM 0 HG3 GLU A 76 61.823 4.636 2.498 1.00 1.51 H new ATOM 1131 N PHE A 77 65.457 3.052 0.097 1.00 0.72 N ATOM 1132 CA PHE A 77 66.485 2.185 -0.551 1.00 0.73 C ATOM 1133 C PHE A 77 67.602 3.044 -1.149 1.00 0.67 C ATOM 1134 O PHE A 77 68.714 3.054 -0.661 1.00 0.69 O ATOM 1135 CB PHE A 77 65.739 1.429 -1.652 1.00 0.84 C ATOM 1136 CG PHE A 77 66.520 0.191 -2.026 1.00 0.97 C ATOM 1137 CD1 PHE A 77 67.052 -0.631 -1.025 1.00 1.83 C ATOM 1138 CD2 PHE A 77 66.711 -0.135 -3.375 1.00 1.32 C ATOM 1139 CE1 PHE A 77 67.776 -1.777 -1.372 1.00 2.03 C ATOM 1140 CE2 PHE A 77 67.436 -1.283 -3.722 1.00 1.48 C ATOM 1141 CZ PHE A 77 67.968 -2.104 -2.721 1.00 1.46 C ATOM 0 H PHE A 77 64.533 3.030 -0.335 1.00 0.72 H new ATOM 0 HA PHE A 77 66.954 1.504 0.159 1.00 0.73 H new ATOM 0 HB2 PHE A 77 64.742 1.154 -1.308 1.00 0.84 H new ATOM 0 HB3 PHE A 77 65.610 2.069 -2.525 1.00 0.84 H new ATOM 0 HD1 PHE A 77 66.903 -0.380 0.015 1.00 1.83 H new ATOM 0 HD2 PHE A 77 66.300 0.498 -4.147 1.00 1.32 H new ATOM 0 HE1 PHE A 77 68.187 -2.410 -0.600 1.00 2.03 H new ATOM 0 HE2 PHE A 77 67.584 -1.534 -4.762 1.00 1.48 H new ATOM 0 HZ PHE A 77 68.526 -2.989 -2.988 1.00 1.46 H new ATOM 1151 N LEU A 78 67.321 3.766 -2.199 1.00 0.66 N ATOM 1152 CA LEU A 78 68.376 4.618 -2.816 1.00 0.68 C ATOM 1153 C LEU A 78 69.109 5.404 -1.729 1.00 0.62 C ATOM 1154 O LEU A 78 70.278 5.711 -1.851 1.00 0.64 O ATOM 1155 CB LEU A 78 67.630 5.563 -3.762 1.00 0.77 C ATOM 1156 CG LEU A 78 66.807 4.747 -4.766 1.00 0.96 C ATOM 1157 CD1 LEU A 78 66.364 5.652 -5.916 1.00 1.55 C ATOM 1158 CD2 LEU A 78 67.659 3.604 -5.324 1.00 1.41 C ATOM 0 H LEU A 78 66.409 3.803 -2.655 1.00 0.66 H new ATOM 0 HA LEU A 78 69.126 4.032 -3.347 1.00 0.68 H new ATOM 0 HB2 LEU A 78 66.976 6.222 -3.191 1.00 0.77 H new ATOM 0 HB3 LEU A 78 68.340 6.199 -4.291 1.00 0.77 H new ATOM 0 HG LEU A 78 65.932 4.336 -4.263 1.00 0.96 H new ATOM 0 HD11 LEU A 78 65.779 5.073 -6.630 1.00 1.55 H new ATOM 0 HD12 LEU A 78 65.755 6.467 -5.524 1.00 1.55 H new ATOM 0 HD13 LEU A 78 67.242 6.063 -6.415 1.00 1.55 H new ATOM 0 HD21 LEU A 78 67.071 3.026 -6.037 1.00 1.41 H new ATOM 0 HD22 LEU A 78 68.536 4.015 -5.825 1.00 1.41 H new ATOM 0 HD23 LEU A 78 67.978 2.956 -4.508 1.00 1.41 H new ATOM 1170 N VAL A 79 68.435 5.722 -0.659 1.00 0.59 N ATOM 1171 CA VAL A 79 69.099 6.475 0.441 1.00 0.61 C ATOM 1172 C VAL A 79 69.845 5.501 1.354 1.00 0.63 C ATOM 1173 O VAL A 79 70.745 5.875 2.080 1.00 0.68 O ATOM 1174 CB VAL A 79 67.962 7.162 1.196 1.00 0.63 C ATOM 1175 CG1 VAL A 79 68.536 7.965 2.365 1.00 0.73 C ATOM 1176 CG2 VAL A 79 67.222 8.105 0.245 1.00 0.70 C ATOM 0 H VAL A 79 67.454 5.493 -0.499 1.00 0.59 H new ATOM 0 HA VAL A 79 69.830 7.196 0.074 1.00 0.61 H new ATOM 0 HB VAL A 79 67.271 6.410 1.578 1.00 0.63 H new ATOM 0 HG11 VAL A 79 67.725 8.455 2.903 1.00 0.73 H new ATOM 0 HG12 VAL A 79 69.067 7.295 3.041 1.00 0.73 H new ATOM 0 HG13 VAL A 79 69.226 8.718 1.985 1.00 0.73 H new ATOM 0 HG21 VAL A 79 66.410 8.597 0.780 1.00 0.70 H new ATOM 0 HG22 VAL A 79 67.915 8.856 -0.134 1.00 0.70 H new ATOM 0 HG23 VAL A 79 66.814 7.534 -0.589 1.00 0.70 H new ATOM 1186 N MET A 80 69.477 4.248 1.317 1.00 0.65 N ATOM 1187 CA MET A 80 70.165 3.242 2.174 1.00 0.72 C ATOM 1188 C MET A 80 71.565 2.958 1.627 1.00 0.71 C ATOM 1189 O MET A 80 72.407 2.403 2.305 1.00 0.76 O ATOM 1190 CB MET A 80 69.291 1.989 2.094 1.00 0.80 C ATOM 1191 CG MET A 80 70.029 0.809 2.729 1.00 1.12 C ATOM 1192 SD MET A 80 69.222 -0.737 2.242 1.00 2.17 S ATOM 1193 CE MET A 80 69.179 -1.496 3.884 1.00 2.77 C ATOM 0 H MET A 80 68.729 3.879 0.730 1.00 0.65 H new ATOM 0 HA MET A 80 70.288 3.586 3.201 1.00 0.72 H new ATOM 0 HB2 MET A 80 68.345 2.159 2.608 1.00 0.80 H new ATOM 0 HB3 MET A 80 69.052 1.765 1.054 1.00 0.80 H new ATOM 0 HG2 MET A 80 71.071 0.804 2.411 1.00 1.12 H new ATOM 0 HG3 MET A 80 70.028 0.907 3.815 1.00 1.12 H new ATOM 0 HE1 MET A 80 69.357 -2.568 3.794 1.00 2.77 H new ATOM 0 HE2 MET A 80 69.951 -1.051 4.511 1.00 2.77 H new ATOM 0 HE3 MET A 80 68.202 -1.328 4.337 1.00 2.77 H new ATOM 1203 N MET A 81 71.827 3.351 0.410 1.00 0.69 N ATOM 1204 CA MET A 81 73.185 3.115 -0.169 1.00 0.74 C ATOM 1205 C MET A 81 73.989 4.414 -0.122 1.00 0.75 C ATOM 1206 O MET A 81 75.202 4.405 -0.075 1.00 0.82 O ATOM 1207 CB MET A 81 73.008 2.645 -1.632 1.00 0.73 C ATOM 1208 CG MET A 81 71.529 2.557 -2.040 1.00 0.89 C ATOM 1209 SD MET A 81 70.718 1.240 -1.096 1.00 1.41 S ATOM 1210 CE MET A 81 71.677 -0.142 -1.763 1.00 1.21 C ATOM 0 H MET A 81 71.166 3.823 -0.207 1.00 0.69 H new ATOM 0 HA MET A 81 73.721 2.356 0.400 1.00 0.74 H new ATOM 0 HB2 MET A 81 73.526 3.335 -2.298 1.00 0.73 H new ATOM 0 HB3 MET A 81 73.476 1.669 -1.757 1.00 0.73 H new ATOM 0 HG2 MET A 81 71.033 3.510 -1.855 1.00 0.89 H new ATOM 0 HG3 MET A 81 71.447 2.357 -3.108 1.00 0.89 H new ATOM 0 HE1 MET A 81 71.076 -1.051 -1.732 1.00 1.21 H new ATOM 0 HE2 MET A 81 71.956 0.073 -2.794 1.00 1.21 H new ATOM 0 HE3 MET A 81 72.577 -0.282 -1.165 1.00 1.21 H new ATOM 1220 N VAL A 82 73.321 5.535 -0.125 1.00 0.72 N ATOM 1221 CA VAL A 82 74.048 6.833 -0.069 1.00 0.78 C ATOM 1222 C VAL A 82 74.756 6.972 1.280 1.00 0.81 C ATOM 1223 O VAL A 82 75.853 7.487 1.368 1.00 0.93 O ATOM 1224 CB VAL A 82 72.968 7.902 -0.221 1.00 0.80 C ATOM 1225 CG1 VAL A 82 73.621 9.284 -0.269 1.00 1.08 C ATOM 1226 CG2 VAL A 82 72.191 7.662 -1.517 1.00 1.36 C ATOM 0 H VAL A 82 72.304 5.607 -0.164 1.00 0.72 H new ATOM 0 HA VAL A 82 74.810 6.917 -0.844 1.00 0.78 H new ATOM 0 HB VAL A 82 72.286 7.851 0.627 1.00 0.80 H new ATOM 0 HG11 VAL A 82 72.850 10.047 -0.378 1.00 1.08 H new ATOM 0 HG12 VAL A 82 74.175 9.457 0.653 1.00 1.08 H new ATOM 0 HG13 VAL A 82 74.304 9.335 -1.117 1.00 1.08 H new ATOM 0 HG21 VAL A 82 71.420 8.425 -1.626 1.00 1.36 H new ATOM 0 HG22 VAL A 82 72.874 7.713 -2.365 1.00 1.36 H new ATOM 0 HG23 VAL A 82 71.725 6.677 -1.485 1.00 1.36 H new ATOM 1236 N ARG A 83 74.137 6.508 2.332 1.00 0.79 N ATOM 1237 CA ARG A 83 74.772 6.605 3.677 1.00 0.85 C ATOM 1238 C ARG A 83 75.735 5.435 3.886 1.00 0.90 C ATOM 1239 O ARG A 83 76.634 5.495 4.702 1.00 1.00 O ATOM 1240 CB ARG A 83 73.612 6.531 4.670 1.00 0.87 C ATOM 1241 CG ARG A 83 73.776 7.622 5.729 1.00 1.07 C ATOM 1242 CD ARG A 83 72.860 7.324 6.919 1.00 0.92 C ATOM 1243 NE ARG A 83 73.585 7.857 8.105 1.00 1.62 N ATOM 1244 CZ ARG A 83 74.103 7.037 8.977 1.00 1.83 C ATOM 1245 NH1 ARG A 83 74.623 5.907 8.582 1.00 2.14 N ATOM 1246 NH2 ARG A 83 74.102 7.347 10.245 1.00 2.49 N ATOM 0 H ARG A 83 73.218 6.066 2.318 1.00 0.79 H new ATOM 0 HA ARG A 83 75.351 7.521 3.798 1.00 0.85 H new ATOM 0 HB2 ARG A 83 72.664 6.656 4.147 1.00 0.87 H new ATOM 0 HB3 ARG A 83 73.587 5.550 5.144 1.00 0.87 H new ATOM 0 HG2 ARG A 83 74.814 7.670 6.059 1.00 1.07 H new ATOM 0 HG3 ARG A 83 73.532 8.595 5.304 1.00 1.07 H new ATOM 0 HD2 ARG A 83 71.889 7.805 6.800 1.00 0.92 H new ATOM 0 HD3 ARG A 83 72.675 6.254 7.017 1.00 0.92 H new ATOM 0 HE ARG A 83 73.677 8.864 8.236 1.00 1.62 H new ATOM 0 HH11 ARG A 83 74.624 5.665 7.591 1.00 2.14 H new ATOM 0 HH12 ARG A 83 75.028 5.266 9.264 1.00 2.14 H new ATOM 0 HH21 ARG A 83 73.696 8.230 10.554 1.00 2.49 H new ATOM 0 HH22 ARG A 83 74.507 6.706 10.927 1.00 2.49 H new ATOM 1260 N SER A 84 75.555 4.371 3.151 1.00 0.92 N ATOM 1261 CA SER A 84 76.461 3.197 3.303 1.00 1.01 C ATOM 1262 C SER A 84 77.485 3.173 2.166 1.00 1.06 C ATOM 1263 O SER A 84 78.403 2.377 2.160 1.00 1.38 O ATOM 1264 CB SER A 84 75.544 1.977 3.226 1.00 1.04 C ATOM 1265 OG SER A 84 75.823 1.110 4.317 1.00 1.52 O ATOM 0 H SER A 84 74.820 4.264 2.452 1.00 0.92 H new ATOM 0 HA SER A 84 77.023 3.225 4.237 1.00 1.01 H new ATOM 0 HB2 SER A 84 74.500 2.290 3.253 1.00 1.04 H new ATOM 0 HB3 SER A 84 75.695 1.453 2.282 1.00 1.04 H new ATOM 0 HG SER A 84 75.533 0.201 4.095 1.00 1.52 H new ATOM 1271 N MET A 85 77.334 4.040 1.202 1.00 0.00 N ATOM 1272 CA MET A 85 78.297 4.069 0.065 1.00 0.00 C ATOM 1273 C MET A 85 79.614 4.713 0.507 1.00 0.00 C ATOM 1274 O MET A 85 80.686 4.218 0.218 1.00 0.00 O ATOM 1275 CB MET A 85 77.616 4.920 -1.008 1.00 0.00 C ATOM 1276 CG MET A 85 76.873 4.009 -1.986 1.00 0.00 C ATOM 1277 SD MET A 85 77.819 3.873 -3.523 1.00 0.00 S ATOM 1278 CE MET A 85 76.443 3.395 -4.596 1.00 0.00 C ATOM 0 H MET A 85 76.584 4.730 1.153 1.00 0.00 H new ATOM 0 HA MET A 85 78.538 3.071 -0.300 1.00 0.00 H new ATOM 0 HB2 MET A 85 76.920 5.619 -0.545 1.00 0.00 H new ATOM 0 HB3 MET A 85 78.358 5.515 -1.541 1.00 0.00 H new ATOM 0 HG2 MET A 85 76.732 3.022 -1.545 1.00 0.00 H new ATOM 0 HG3 MET A 85 75.881 4.411 -2.192 1.00 0.00 H new ATOM 0 HE1 MET A 85 76.832 3.034 -5.548 1.00 0.00 H new ATOM 0 HE2 MET A 85 75.865 2.605 -4.117 1.00 0.00 H new ATOM 0 HE3 MET A 85 75.801 4.258 -4.771 1.00 0.00 H new