USER MOD reduce.3.24.130724 H: found=0, std=0, add=622, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 623 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 81 TYR OH : rot 70:sc= -0.715 USER MOD Set 1.2: A 91 GLN : amide:sc= -1.18 K(o=-6,f=-6.7!) USER MOD Set 1.3: A 127 ASN : amide:sc= -4.1! K(o=-6!,f=-6.7) USER MOD Single : A 79 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot -29:sc= 0.117 USER MOD Single : A 87 THR OG1 : rot -46:sc= -0.115 USER MOD Single : A 90 GLN :FLIP amide:sc= -1.13 F(o=-2.4!,f=-1.1) USER MOD Single : A 92 TYR OH : rot -91:sc= -0.872! USER MOD Single : A 93 ASN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 105 ASN :FLIP amide:sc= -3.51 F(o=-9.7!,f=-3.5) USER MOD Single : A 107 GLN : amide:sc= 0.886 K(o=0.89,f=-0.76) USER MOD Single : A 108 LYS NZ :NH3+ -155:sc= -2.34! (180deg=-4.45!) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 115 LYS NZ :NH3+ -166:sc= 1.11 (180deg=0.964) USER MOD Single : A 116 GLN :FLIP amide:sc= -1.63 F(o=-7.8!,f=-1.6) USER MOD Single : A 118 HIS : no HD1:sc= -2.06! C(o=-2.1!,f=-8.1!) USER MOD Single : A 121 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0143) USER MOD Single : A 122 LYS NZ :NH3+ 175:sc= 0.866 (180deg=0.764) USER MOD Single : A 123 GLN :FLIP amide:sc= -0.428 F(o=-1.9,f=-0.43) USER MOD Single : A 126 HIS :FLIP no HD1:sc= -0.169 F(o=-1.6,f=-0.17) USER MOD Single : A 133 THR OG1 : rot 90:sc= -5.79! USER MOD Single : A 137 MET CE :methyl -127:sc= -0.822 (180deg=-1.38) USER MOD Single : A 138 SER OG : rot 180:sc= 0 USER MOD Single : A 140 SER OG : rot -83:sc= 1.08 USER MOD Single : A 142 SER OG : rot -85:sc= 0.488 USER MOD Single : A 143 SER OG : rot 180:sc= 0 USER MOD Single : A 145 THR OG1 : rot 180:sc= 0 USER MOD Single : A 149 THR OG1 : rot -40:sc= 0.764 USER MOD Single : A 150 GLN : amide:sc= -2.4 X(o=-2.4,f=-2.7) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 77 47.145 3.915 0.507 1.00 0.00 N ATOM 2 CA GLY A 77 46.656 4.666 -0.641 1.00 0.00 C ATOM 3 C GLY A 77 46.559 3.790 -1.852 1.00 0.00 C ATOM 4 O GLY A 77 47.274 2.786 -1.949 1.00 0.00 O ATOM 0 HA2 GLY A 77 45.677 5.089 -0.414 1.00 0.00 H new ATOM 0 HA3 GLY A 77 47.325 5.502 -0.845 1.00 0.00 H new ATOM 10 N ALA A 78 45.684 4.149 -2.767 1.00 0.00 N ATOM 11 CA ALA A 78 45.459 3.376 -3.977 1.00 0.00 C ATOM 12 C ALA A 78 46.508 3.712 -5.010 1.00 0.00 C ATOM 13 O ALA A 78 47.002 4.846 -5.032 1.00 0.00 O ATOM 14 CB ALA A 78 44.086 3.675 -4.534 1.00 0.00 C ATOM 0 H ALA A 78 45.106 4.986 -2.696 1.00 0.00 H new ATOM 0 HA ALA A 78 45.525 2.316 -3.732 1.00 0.00 H new ATOM 0 HB1 ALA A 78 43.926 3.091 -5.441 1.00 0.00 H new ATOM 0 HB2 ALA A 78 43.329 3.413 -3.795 1.00 0.00 H new ATOM 0 HB3 ALA A 78 44.012 4.737 -4.768 1.00 0.00 H new ATOM 20 N MET A 79 46.837 2.734 -5.857 1.00 0.00 N ATOM 21 CA MET A 79 47.858 2.870 -6.909 1.00 0.00 C ATOM 22 C MET A 79 49.265 2.893 -6.289 1.00 0.00 C ATOM 23 O MET A 79 49.423 3.017 -5.079 1.00 0.00 O ATOM 24 CB MET A 79 47.563 4.099 -7.845 1.00 0.00 C ATOM 25 CG MET A 79 48.585 4.377 -8.953 1.00 0.00 C ATOM 26 SD MET A 79 48.898 2.945 -10.009 1.00 0.00 S ATOM 27 CE MET A 79 50.069 3.637 -11.175 1.00 0.00 C ATOM 0 H MET A 79 46.399 1.813 -5.835 1.00 0.00 H new ATOM 0 HA MET A 79 47.816 1.995 -7.558 1.00 0.00 H new ATOM 0 HB2 MET A 79 46.589 3.947 -8.310 1.00 0.00 H new ATOM 0 HB3 MET A 79 47.484 4.990 -7.223 1.00 0.00 H new ATOM 0 HG2 MET A 79 48.228 5.203 -9.568 1.00 0.00 H new ATOM 0 HG3 MET A 79 49.523 4.699 -8.501 1.00 0.00 H new ATOM 0 HE1 MET A 79 50.360 2.873 -11.896 1.00 0.00 H new ATOM 0 HE2 MET A 79 49.608 4.474 -11.700 1.00 0.00 H new ATOM 0 HE3 MET A 79 50.952 3.986 -10.640 1.00 0.00 H new ATOM 37 N SER A 80 50.265 2.702 -7.090 1.00 0.00 N ATOM 38 CA SER A 80 51.611 2.718 -6.618 1.00 0.00 C ATOM 39 C SER A 80 52.262 4.046 -6.989 1.00 0.00 C ATOM 40 O SER A 80 51.979 4.607 -8.057 1.00 0.00 O ATOM 41 CB SER A 80 52.336 1.587 -7.239 1.00 0.00 C ATOM 42 OG SER A 80 51.587 0.377 -7.088 1.00 0.00 O ATOM 0 H SER A 80 50.170 2.530 -8.091 1.00 0.00 H new ATOM 0 HA SER A 80 51.640 2.614 -5.533 1.00 0.00 H new ATOM 0 HB2 SER A 80 52.504 1.790 -8.297 1.00 0.00 H new ATOM 0 HB3 SER A 80 53.317 1.476 -6.776 1.00 0.00 H new ATOM 0 HG SER A 80 52.075 -0.364 -7.504 1.00 0.00 H new ATOM 48 N TYR A 81 53.121 4.531 -6.127 1.00 0.00 N ATOM 49 CA TYR A 81 53.718 5.856 -6.241 1.00 0.00 C ATOM 50 C TYR A 81 54.856 5.956 -5.265 1.00 0.00 C ATOM 51 O TYR A 81 55.133 4.994 -4.567 1.00 0.00 O ATOM 52 CB TYR A 81 52.658 6.917 -5.891 1.00 0.00 C ATOM 53 CG TYR A 81 51.835 6.567 -4.660 1.00 0.00 C ATOM 54 CD1 TYR A 81 52.341 6.700 -3.368 1.00 0.00 C ATOM 55 CD2 TYR A 81 50.547 6.081 -4.803 1.00 0.00 C ATOM 56 CE1 TYR A 81 51.590 6.361 -2.285 1.00 0.00 C ATOM 57 CE2 TYR A 81 49.791 5.751 -3.716 1.00 0.00 C ATOM 58 CZ TYR A 81 50.313 5.887 -2.461 1.00 0.00 C ATOM 59 OH TYR A 81 49.549 5.573 -1.366 1.00 0.00 O ATOM 0 H TYR A 81 53.437 4.012 -5.307 1.00 0.00 H new ATOM 0 HA TYR A 81 54.080 6.019 -7.256 1.00 0.00 H new ATOM 0 HB2 TYR A 81 53.153 7.874 -5.728 1.00 0.00 H new ATOM 0 HB3 TYR A 81 51.989 7.045 -6.742 1.00 0.00 H new ATOM 0 HD1 TYR A 81 53.343 7.077 -3.225 1.00 0.00 H new ATOM 0 HD2 TYR A 81 50.133 5.961 -5.793 1.00 0.00 H new ATOM 0 HE1 TYR A 81 51.997 6.464 -1.290 1.00 0.00 H new ATOM 0 HE2 TYR A 81 48.784 5.384 -3.847 1.00 0.00 H new ATOM 0 HH TYR A 81 49.301 6.395 -0.894 1.00 0.00 H new ATOM 69 N SER A 82 55.488 7.089 -5.190 1.00 0.00 N ATOM 70 CA SER A 82 56.524 7.285 -4.219 1.00 0.00 C ATOM 71 C SER A 82 55.902 7.828 -2.924 1.00 0.00 C ATOM 72 O SER A 82 54.888 8.538 -2.982 1.00 0.00 O ATOM 73 CB SER A 82 57.576 8.227 -4.765 1.00 0.00 C ATOM 74 OG SER A 82 58.138 7.712 -5.969 1.00 0.00 O ATOM 0 H SER A 82 55.305 7.893 -5.790 1.00 0.00 H new ATOM 0 HA SER A 82 57.013 6.336 -3.999 1.00 0.00 H new ATOM 0 HB2 SER A 82 57.133 9.205 -4.954 1.00 0.00 H new ATOM 0 HB3 SER A 82 58.362 8.371 -4.024 1.00 0.00 H new ATOM 0 HG SER A 82 58.814 8.335 -6.307 1.00 0.00 H new ATOM 80 N LEU A 83 56.482 7.509 -1.777 1.00 0.00 N ATOM 81 CA LEU A 83 55.871 7.888 -0.511 1.00 0.00 C ATOM 82 C LEU A 83 56.908 7.982 0.608 1.00 0.00 C ATOM 83 O LEU A 83 58.028 7.462 0.485 1.00 0.00 O ATOM 84 CB LEU A 83 54.849 6.805 -0.114 1.00 0.00 C ATOM 85 CG LEU A 83 53.934 7.116 1.079 1.00 0.00 C ATOM 86 CD1 LEU A 83 52.914 8.193 0.779 1.00 0.00 C ATOM 87 CD2 LEU A 83 53.288 5.875 1.594 1.00 0.00 C ATOM 0 H LEU A 83 57.360 6.997 -1.695 1.00 0.00 H new ATOM 0 HA LEU A 83 55.401 8.863 -0.641 1.00 0.00 H new ATOM 0 HB2 LEU A 83 54.219 6.599 -0.980 1.00 0.00 H new ATOM 0 HB3 LEU A 83 55.395 5.888 0.108 1.00 0.00 H new ATOM 0 HG LEU A 83 54.572 7.520 1.865 1.00 0.00 H new ATOM 0 HD11 LEU A 83 52.298 8.367 1.661 1.00 0.00 H new ATOM 0 HD12 LEU A 83 53.428 9.115 0.508 1.00 0.00 H new ATOM 0 HD13 LEU A 83 52.280 7.874 -0.049 1.00 0.00 H new ATOM 0 HD21 LEU A 83 52.645 6.123 2.439 1.00 0.00 H new ATOM 0 HD22 LEU A 83 52.690 5.421 0.804 1.00 0.00 H new ATOM 0 HD23 LEU A 83 54.056 5.172 1.917 1.00 0.00 H new ATOM 99 N TYR A 84 56.528 8.683 1.663 1.00 0.00 N ATOM 100 CA TYR A 84 57.231 8.697 2.934 1.00 0.00 C ATOM 101 C TYR A 84 57.121 7.357 3.535 1.00 0.00 C ATOM 102 O TYR A 84 56.004 6.888 3.829 1.00 0.00 O ATOM 103 CB TYR A 84 56.590 9.706 3.874 1.00 0.00 C ATOM 104 CG TYR A 84 57.398 10.940 4.104 1.00 0.00 C ATOM 105 CD1 TYR A 84 57.969 11.618 3.057 1.00 0.00 C ATOM 106 CD2 TYR A 84 57.593 11.416 5.379 1.00 0.00 C ATOM 107 CE1 TYR A 84 58.724 12.754 3.270 1.00 0.00 C ATOM 108 CE2 TYR A 84 58.345 12.547 5.618 1.00 0.00 C ATOM 109 CZ TYR A 84 58.911 13.213 4.557 1.00 0.00 C ATOM 110 OH TYR A 84 59.654 14.354 4.779 1.00 0.00 O ATOM 0 H TYR A 84 55.698 9.275 1.658 1.00 0.00 H new ATOM 0 HA TYR A 84 58.274 8.969 2.773 1.00 0.00 H new ATOM 0 HB2 TYR A 84 55.619 9.993 3.471 1.00 0.00 H new ATOM 0 HB3 TYR A 84 56.406 9.223 4.834 1.00 0.00 H new ATOM 0 HD1 TYR A 84 57.825 11.257 2.049 1.00 0.00 H new ATOM 0 HD2 TYR A 84 57.147 10.893 6.212 1.00 0.00 H new ATOM 0 HE1 TYR A 84 59.165 13.279 2.435 1.00 0.00 H new ATOM 0 HE2 TYR A 84 58.488 12.905 6.627 1.00 0.00 H new ATOM 0 HH TYR A 84 59.688 14.541 5.740 1.00 0.00 H new ATOM 120 N GLY A 85 58.261 6.740 3.730 1.00 0.00 N ATOM 121 CA GLY A 85 58.312 5.439 4.247 1.00 0.00 C ATOM 122 C GLY A 85 57.585 5.266 5.487 1.00 0.00 C ATOM 123 O GLY A 85 56.815 4.326 5.632 1.00 0.00 O ATOM 0 H GLY A 85 59.173 7.149 3.526 1.00 0.00 H new ATOM 0 HA2 GLY A 85 57.912 4.749 3.504 1.00 0.00 H new ATOM 0 HA3 GLY A 85 59.354 5.164 4.408 1.00 0.00 H new ATOM 127 N THR A 86 57.819 6.182 6.352 1.00 0.00 N ATOM 128 CA THR A 86 57.257 6.235 7.693 1.00 0.00 C ATOM 129 C THR A 86 55.685 6.011 7.734 1.00 0.00 C ATOM 130 O THR A 86 55.137 5.799 8.803 1.00 0.00 O ATOM 131 CB THR A 86 57.628 7.593 8.376 1.00 0.00 C ATOM 132 OG1 THR A 86 57.343 7.554 9.785 1.00 0.00 O ATOM 133 CG2 THR A 86 56.852 8.728 7.745 1.00 0.00 C ATOM 0 H THR A 86 58.439 6.968 6.154 1.00 0.00 H new ATOM 0 HA THR A 86 57.697 5.405 8.245 1.00 0.00 H new ATOM 0 HB THR A 86 58.696 7.756 8.234 1.00 0.00 H new ATOM 0 HG1 THR A 86 56.596 6.942 9.951 1.00 0.00 H new ATOM 0 HG21 THR A 86 57.120 9.666 8.230 1.00 0.00 H new ATOM 0 HG22 THR A 86 57.092 8.787 6.683 1.00 0.00 H new ATOM 0 HG23 THR A 86 55.784 8.550 7.866 1.00 0.00 H new ATOM 141 N THR A 87 54.975 6.140 6.598 1.00 0.00 N ATOM 142 CA THR A 87 53.537 5.881 6.565 1.00 0.00 C ATOM 143 C THR A 87 53.144 4.450 6.103 1.00 0.00 C ATOM 144 O THR A 87 52.011 4.089 6.217 1.00 0.00 O ATOM 145 CB THR A 87 52.736 6.936 5.769 1.00 0.00 C ATOM 146 OG1 THR A 87 53.263 7.053 4.452 1.00 0.00 O ATOM 147 CG2 THR A 87 52.775 8.289 6.456 1.00 0.00 C ATOM 0 H THR A 87 55.375 6.420 5.703 1.00 0.00 H new ATOM 0 HA THR A 87 53.254 5.962 7.615 1.00 0.00 H new ATOM 0 HB THR A 87 51.698 6.606 5.721 1.00 0.00 H new ATOM 0 HG1 THR A 87 54.240 7.109 4.495 1.00 0.00 H new ATOM 0 HG21 THR A 87 52.203 9.010 5.872 1.00 0.00 H new ATOM 0 HG22 THR A 87 52.342 8.204 7.453 1.00 0.00 H new ATOM 0 HG23 THR A 87 53.808 8.626 6.537 1.00 0.00 H new ATOM 155 N LEU A 88 54.080 3.671 5.558 1.00 0.00 N ATOM 156 CA LEU A 88 53.809 2.303 4.951 1.00 0.00 C ATOM 157 C LEU A 88 53.005 1.325 5.799 1.00 0.00 C ATOM 158 O LEU A 88 52.431 0.378 5.264 1.00 0.00 O ATOM 159 CB LEU A 88 55.100 1.661 4.553 1.00 0.00 C ATOM 160 CG LEU A 88 55.567 1.868 3.124 1.00 0.00 C ATOM 161 CD1 LEU A 88 54.811 0.955 2.195 1.00 0.00 C ATOM 162 CD2 LEU A 88 55.349 3.296 2.706 1.00 0.00 C ATOM 0 H LEU A 88 55.062 3.944 5.509 1.00 0.00 H new ATOM 0 HA LEU A 88 53.170 2.516 4.094 1.00 0.00 H new ATOM 0 HB2 LEU A 88 55.880 2.029 5.220 1.00 0.00 H new ATOM 0 HB3 LEU A 88 55.012 0.589 4.727 1.00 0.00 H new ATOM 0 HG LEU A 88 56.631 1.637 3.072 1.00 0.00 H new ATOM 0 HD11 LEU A 88 55.154 1.112 1.172 1.00 0.00 H new ATOM 0 HD12 LEU A 88 54.986 -0.082 2.482 1.00 0.00 H new ATOM 0 HD13 LEU A 88 53.745 1.174 2.258 1.00 0.00 H new ATOM 0 HD21 LEU A 88 55.688 3.430 1.679 1.00 0.00 H new ATOM 0 HD22 LEU A 88 54.288 3.536 2.772 1.00 0.00 H new ATOM 0 HD23 LEU A 88 55.912 3.958 3.364 1.00 0.00 H new ATOM 174 N GLU A 89 52.938 1.531 7.085 1.00 0.00 N ATOM 175 CA GLU A 89 52.125 0.688 7.945 1.00 0.00 C ATOM 176 C GLU A 89 50.614 1.020 7.736 1.00 0.00 C ATOM 177 O GLU A 89 49.724 0.409 8.324 1.00 0.00 O ATOM 178 CB GLU A 89 52.539 0.824 9.424 1.00 0.00 C ATOM 179 CG GLU A 89 54.056 0.694 9.688 1.00 0.00 C ATOM 180 CD GLU A 89 54.764 2.024 9.658 1.00 0.00 C ATOM 181 OE1 GLU A 89 54.596 2.780 8.695 1.00 0.00 O ATOM 182 OE2 GLU A 89 55.481 2.339 10.624 1.00 0.00 O ATOM 0 H GLU A 89 53.436 2.277 7.571 1.00 0.00 H new ATOM 0 HA GLU A 89 52.290 -0.353 7.669 1.00 0.00 H new ATOM 0 HB2 GLU A 89 52.202 1.793 9.793 1.00 0.00 H new ATOM 0 HB3 GLU A 89 52.017 0.063 10.004 1.00 0.00 H new ATOM 0 HG2 GLU A 89 54.213 0.224 10.659 1.00 0.00 H new ATOM 0 HG3 GLU A 89 54.496 0.035 8.940 1.00 0.00 H new ATOM 189 N GLN A 90 50.378 2.029 6.930 1.00 0.00 N ATOM 190 CA GLN A 90 49.064 2.465 6.453 1.00 0.00 C ATOM 191 C GLN A 90 48.756 1.863 5.077 1.00 0.00 C ATOM 192 O GLN A 90 47.601 1.740 4.663 1.00 0.00 O ATOM 193 CB GLN A 90 49.096 4.021 6.409 1.00 0.00 C ATOM 194 CG GLN A 90 48.392 4.753 5.244 1.00 0.00 C ATOM 195 CD GLN A 90 49.211 4.878 3.930 1.00 0.00 C ATOM 196 OE1 GLN A 90 50.532 4.976 4.023 1.00 0.00 O flip ATOM 197 NE2 GLN A 90 48.638 4.889 2.836 1.00 0.00 N flip ATOM 0 H GLN A 90 51.133 2.607 6.563 1.00 0.00 H new ATOM 0 HA GLN A 90 48.270 2.123 7.117 1.00 0.00 H new ATOM 0 HB2 GLN A 90 48.659 4.385 7.339 1.00 0.00 H new ATOM 0 HB3 GLN A 90 50.142 4.329 6.407 1.00 0.00 H new ATOM 0 HG2 GLN A 90 47.461 4.231 5.021 1.00 0.00 H new ATOM 0 HG3 GLN A 90 48.123 5.755 5.579 1.00 0.00 H new ATOM 0 HE21 GLN A 90 47.622 4.812 2.792 1.00 0.00 H new ATOM 0 HE22 GLN A 90 49.181 4.975 1.977 1.00 0.00 H new ATOM 206 N GLN A 91 49.796 1.478 4.408 1.00 0.00 N ATOM 207 CA GLN A 91 49.741 1.075 3.027 1.00 0.00 C ATOM 208 C GLN A 91 49.232 -0.329 2.729 1.00 0.00 C ATOM 209 O GLN A 91 48.134 -0.504 2.195 1.00 0.00 O ATOM 210 CB GLN A 91 51.120 1.224 2.411 1.00 0.00 C ATOM 211 CG GLN A 91 51.447 2.579 1.846 1.00 0.00 C ATOM 212 CD GLN A 91 50.600 2.943 0.640 1.00 0.00 C ATOM 213 OE1 GLN A 91 49.444 2.558 0.514 1.00 0.00 O ATOM 214 NE2 GLN A 91 51.189 3.613 -0.277 1.00 0.00 N ATOM 0 H GLN A 91 50.732 1.432 4.811 1.00 0.00 H new ATOM 0 HA GLN A 91 48.994 1.738 2.591 1.00 0.00 H new ATOM 0 HB2 GLN A 91 51.863 0.980 3.170 1.00 0.00 H new ATOM 0 HB3 GLN A 91 51.222 0.486 1.615 1.00 0.00 H new ATOM 0 HG2 GLN A 91 51.307 3.332 2.621 1.00 0.00 H new ATOM 0 HG3 GLN A 91 52.500 2.604 1.564 1.00 0.00 H new ATOM 0 HE21 GLN A 91 52.152 3.921 -0.145 1.00 0.00 H new ATOM 0 HE22 GLN A 91 50.695 3.839 -1.140 1.00 0.00 H new ATOM 223 N TYR A 92 49.996 -1.305 3.101 1.00 0.00 N ATOM 224 CA TYR A 92 49.845 -2.630 2.538 1.00 0.00 C ATOM 225 C TYR A 92 49.205 -3.635 3.393 1.00 0.00 C ATOM 226 O TYR A 92 49.205 -4.836 3.063 1.00 0.00 O ATOM 227 CB TYR A 92 51.179 -3.100 2.099 1.00 0.00 C ATOM 228 CG TYR A 92 51.625 -2.313 0.930 1.00 0.00 C ATOM 229 CD1 TYR A 92 50.821 -2.225 -0.184 1.00 0.00 C ATOM 230 CD2 TYR A 92 52.792 -1.601 0.957 1.00 0.00 C ATOM 231 CE1 TYR A 92 51.165 -1.452 -1.236 1.00 0.00 C ATOM 232 CE2 TYR A 92 53.161 -0.821 -0.108 1.00 0.00 C ATOM 233 CZ TYR A 92 52.325 -0.747 -1.209 1.00 0.00 C ATOM 234 OH TYR A 92 52.659 0.022 -2.290 1.00 0.00 O ATOM 0 H TYR A 92 50.738 -1.220 3.796 1.00 0.00 H new ATOM 0 HA TYR A 92 49.146 -2.523 1.708 1.00 0.00 H new ATOM 0 HB2 TYR A 92 51.897 -2.999 2.913 1.00 0.00 H new ATOM 0 HB3 TYR A 92 51.136 -4.158 1.842 1.00 0.00 H new ATOM 0 HD1 TYR A 92 49.898 -2.785 -0.217 1.00 0.00 H new ATOM 0 HD2 TYR A 92 53.430 -1.654 1.827 1.00 0.00 H new ATOM 0 HE1 TYR A 92 50.518 -1.394 -2.099 1.00 0.00 H new ATOM 0 HE2 TYR A 92 54.091 -0.272 -0.089 1.00 0.00 H new ATOM 0 HH TYR A 92 53.194 -0.509 -2.917 1.00 0.00 H new ATOM 244 N ASN A 93 48.701 -3.165 4.494 1.00 0.00 N ATOM 245 CA ASN A 93 48.036 -3.997 5.541 1.00 0.00 C ATOM 246 C ASN A 93 49.119 -4.823 6.206 1.00 0.00 C ATOM 247 O ASN A 93 48.872 -5.769 6.977 1.00 0.00 O ATOM 248 CB ASN A 93 46.969 -4.934 4.929 1.00 0.00 C ATOM 249 CG ASN A 93 45.875 -4.199 4.150 1.00 0.00 C ATOM 250 OD1 ASN A 93 46.016 -3.933 2.955 1.00 0.00 O ATOM 251 ND2 ASN A 93 44.778 -3.903 4.794 1.00 0.00 N ATOM 0 H ASN A 93 48.724 -2.172 4.727 1.00 0.00 H new ATOM 0 HA ASN A 93 47.526 -3.352 6.256 1.00 0.00 H new ATOM 0 HB2 ASN A 93 47.461 -5.644 4.264 1.00 0.00 H new ATOM 0 HB3 ASN A 93 46.506 -5.513 5.728 1.00 0.00 H new ATOM 0 HD21 ASN A 93 44.010 -3.440 4.308 1.00 0.00 H new ATOM 0 HD22 ASN A 93 44.689 -4.135 5.783 1.00 0.00 H new ATOM 258 N LYS A 94 50.313 -4.414 5.913 1.00 0.00 N ATOM 259 CA LYS A 94 51.504 -5.028 6.264 1.00 0.00 C ATOM 260 C LYS A 94 52.576 -3.947 6.277 1.00 0.00 C ATOM 261 O LYS A 94 52.721 -3.202 5.297 1.00 0.00 O ATOM 262 CB LYS A 94 51.834 -6.102 5.219 1.00 0.00 C ATOM 263 CG LYS A 94 53.188 -6.662 5.402 1.00 0.00 C ATOM 264 CD LYS A 94 53.401 -7.973 4.683 1.00 0.00 C ATOM 265 CE LYS A 94 53.441 -7.848 3.200 1.00 0.00 C ATOM 266 NZ LYS A 94 53.503 -9.168 2.547 1.00 0.00 N ATOM 0 H LYS A 94 50.466 -3.563 5.373 1.00 0.00 H new ATOM 0 HA LYS A 94 51.441 -5.507 7.241 1.00 0.00 H new ATOM 0 HB2 LYS A 94 51.099 -6.905 5.281 1.00 0.00 H new ATOM 0 HB3 LYS A 94 51.752 -5.672 4.221 1.00 0.00 H new ATOM 0 HG2 LYS A 94 53.922 -5.939 5.047 1.00 0.00 H new ATOM 0 HG3 LYS A 94 53.372 -6.807 6.467 1.00 0.00 H new ATOM 0 HD2 LYS A 94 54.336 -8.416 5.026 1.00 0.00 H new ATOM 0 HD3 LYS A 94 52.602 -8.661 4.958 1.00 0.00 H new ATOM 0 HE2 LYS A 94 52.557 -7.312 2.855 1.00 0.00 H new ATOM 0 HE3 LYS A 94 54.308 -7.255 2.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 53.530 -9.044 1.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 54.360 -9.669 2.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 52.663 -9.724 2.807 1.00 0.00 H new ATOM 280 N PRO A 95 53.296 -3.804 7.376 1.00 0.00 N ATOM 281 CA PRO A 95 54.329 -2.799 7.498 1.00 0.00 C ATOM 282 C PRO A 95 55.638 -3.273 6.897 1.00 0.00 C ATOM 283 O PRO A 95 55.766 -4.431 6.516 1.00 0.00 O ATOM 284 CB PRO A 95 54.485 -2.664 9.006 1.00 0.00 C ATOM 285 CG PRO A 95 54.205 -4.031 9.529 1.00 0.00 C ATOM 286 CD PRO A 95 53.172 -4.621 8.603 1.00 0.00 C ATOM 0 HA PRO A 95 54.075 -1.872 6.983 1.00 0.00 H new ATOM 0 HB2 PRO A 95 55.488 -2.333 9.274 1.00 0.00 H new ATOM 0 HB3 PRO A 95 53.788 -1.932 9.414 1.00 0.00 H new ATOM 0 HG2 PRO A 95 55.110 -4.638 9.542 1.00 0.00 H new ATOM 0 HG3 PRO A 95 53.834 -3.990 10.553 1.00 0.00 H new ATOM 0 HD2 PRO A 95 53.367 -5.675 8.404 1.00 0.00 H new ATOM 0 HD3 PRO A 95 52.170 -4.557 9.027 1.00 0.00 H new ATOM 294 N LEU A 96 56.611 -2.386 6.868 1.00 0.00 N ATOM 295 CA LEU A 96 57.966 -2.664 6.395 1.00 0.00 C ATOM 296 C LEU A 96 58.537 -3.863 7.074 1.00 0.00 C ATOM 297 O LEU A 96 59.090 -4.702 6.425 1.00 0.00 O ATOM 298 CB LEU A 96 58.835 -1.472 6.666 1.00 0.00 C ATOM 299 CG LEU A 96 58.607 -0.297 5.770 1.00 0.00 C ATOM 300 CD1 LEU A 96 57.587 0.579 6.325 1.00 0.00 C ATOM 301 CD2 LEU A 96 59.874 0.434 5.498 1.00 0.00 C ATOM 0 H LEU A 96 56.485 -1.423 7.180 1.00 0.00 H new ATOM 0 HA LEU A 96 57.927 -2.866 5.325 1.00 0.00 H new ATOM 0 HB2 LEU A 96 58.679 -1.157 7.698 1.00 0.00 H new ATOM 0 HB3 LEU A 96 59.878 -1.777 6.580 1.00 0.00 H new ATOM 0 HG LEU A 96 58.243 -0.667 4.811 1.00 0.00 H new ATOM 0 HD11 LEU A 96 57.435 1.428 5.659 1.00 0.00 H new ATOM 0 HD12 LEU A 96 56.652 0.028 6.430 1.00 0.00 H new ATOM 0 HD13 LEU A 96 57.908 0.938 7.303 1.00 0.00 H new ATOM 0 HD21 LEU A 96 59.672 1.282 4.844 1.00 0.00 H new ATOM 0 HD22 LEU A 96 60.296 0.793 6.437 1.00 0.00 H new ATOM 0 HD23 LEU A 96 60.584 -0.236 5.014 1.00 0.00 H new ATOM 313 N SER A 97 58.299 -3.989 8.357 1.00 0.00 N ATOM 314 CA SER A 97 58.804 -5.090 9.161 1.00 0.00 C ATOM 315 C SER A 97 58.363 -6.464 8.612 1.00 0.00 C ATOM 316 O SER A 97 58.958 -7.492 8.928 1.00 0.00 O ATOM 317 CB SER A 97 58.301 -4.913 10.587 1.00 0.00 C ATOM 318 OG SER A 97 58.658 -3.628 11.089 1.00 0.00 O ATOM 0 H SER A 97 57.740 -3.321 8.887 1.00 0.00 H new ATOM 0 HA SER A 97 59.893 -5.071 9.129 1.00 0.00 H new ATOM 0 HB2 SER A 97 57.218 -5.032 10.614 1.00 0.00 H new ATOM 0 HB3 SER A 97 58.722 -5.689 11.226 1.00 0.00 H new ATOM 0 HG SER A 97 58.325 -3.531 12.006 1.00 0.00 H new ATOM 324 N ASP A 98 57.314 -6.476 7.809 1.00 0.00 N ATOM 325 CA ASP A 98 56.814 -7.709 7.265 1.00 0.00 C ATOM 326 C ASP A 98 56.786 -7.679 5.750 1.00 0.00 C ATOM 327 O ASP A 98 56.594 -8.705 5.101 1.00 0.00 O ATOM 328 CB ASP A 98 55.440 -7.944 7.789 1.00 0.00 C ATOM 329 CG ASP A 98 55.051 -9.412 7.850 1.00 0.00 C ATOM 330 OD1 ASP A 98 55.487 -10.105 8.802 1.00 0.00 O ATOM 331 OD2 ASP A 98 54.277 -9.899 6.998 1.00 0.00 O ATOM 0 H ASP A 98 56.798 -5.643 7.524 1.00 0.00 H new ATOM 0 HA ASP A 98 57.480 -8.517 7.567 1.00 0.00 H new ATOM 0 HB2 ASP A 98 55.364 -7.515 8.788 1.00 0.00 H new ATOM 0 HB3 ASP A 98 54.725 -7.414 7.160 1.00 0.00 H new ATOM 336 N LEU A 99 56.992 -6.524 5.174 1.00 0.00 N ATOM 337 CA LEU A 99 56.860 -6.393 3.759 1.00 0.00 C ATOM 338 C LEU A 99 58.201 -6.681 3.118 1.00 0.00 C ATOM 339 O LEU A 99 59.242 -6.227 3.640 1.00 0.00 O ATOM 340 CB LEU A 99 56.386 -4.967 3.438 1.00 0.00 C ATOM 341 CG LEU A 99 56.205 -4.570 1.957 1.00 0.00 C ATOM 342 CD1 LEU A 99 54.957 -5.187 1.396 1.00 0.00 C ATOM 343 CD2 LEU A 99 56.180 -3.069 1.786 1.00 0.00 C ATOM 0 H LEU A 99 57.250 -5.668 5.665 1.00 0.00 H new ATOM 0 HA LEU A 99 56.128 -7.099 3.366 1.00 0.00 H new ATOM 0 HB2 LEU A 99 55.432 -4.813 3.942 1.00 0.00 H new ATOM 0 HB3 LEU A 99 57.098 -4.272 3.883 1.00 0.00 H new ATOM 0 HG LEU A 99 57.063 -4.952 1.403 1.00 0.00 H new ATOM 0 HD11 LEU A 99 54.845 -4.897 0.351 1.00 0.00 H new ATOM 0 HD12 LEU A 99 55.025 -6.273 1.465 1.00 0.00 H new ATOM 0 HD13 LEU A 99 54.093 -4.840 1.963 1.00 0.00 H new ATOM 0 HD21 LEU A 99 56.051 -2.825 0.731 1.00 0.00 H new ATOM 0 HD22 LEU A 99 55.352 -2.651 2.359 1.00 0.00 H new ATOM 0 HD23 LEU A 99 57.119 -2.646 2.144 1.00 0.00 H new ATOM 355 N LEU A 100 58.218 -7.482 2.051 1.00 0.00 N ATOM 356 CA LEU A 100 59.453 -7.695 1.366 1.00 0.00 C ATOM 357 C LEU A 100 59.758 -6.409 0.656 1.00 0.00 C ATOM 358 O LEU A 100 59.003 -5.921 -0.178 1.00 0.00 O ATOM 359 CB LEU A 100 59.421 -8.848 0.390 1.00 0.00 C ATOM 360 CG LEU A 100 60.788 -9.591 0.133 1.00 0.00 C ATOM 361 CD1 LEU A 100 60.671 -10.557 -1.004 1.00 0.00 C ATOM 362 CD2 LEU A 100 61.955 -8.648 -0.134 1.00 0.00 C ATOM 0 H LEU A 100 57.409 -7.971 1.667 1.00 0.00 H new ATOM 0 HA LEU A 100 60.223 -7.969 2.087 1.00 0.00 H new ATOM 0 HB2 LEU A 100 58.698 -9.580 0.750 1.00 0.00 H new ATOM 0 HB3 LEU A 100 59.050 -8.476 -0.565 1.00 0.00 H new ATOM 0 HG LEU A 100 61.003 -10.124 1.059 1.00 0.00 H new ATOM 0 HD11 LEU A 100 61.628 -11.055 -1.159 1.00 0.00 H new ATOM 0 HD12 LEU A 100 59.909 -11.301 -0.773 1.00 0.00 H new ATOM 0 HD13 LEU A 100 60.391 -10.020 -1.910 1.00 0.00 H new ATOM 0 HD21 LEU A 100 62.862 -9.229 -0.302 1.00 0.00 H new ATOM 0 HD22 LEU A 100 61.741 -8.046 -1.017 1.00 0.00 H new ATOM 0 HD23 LEU A 100 62.098 -7.993 0.726 1.00 0.00 H new ATOM 374 N ILE A 101 60.820 -5.876 1.021 1.00 0.00 N ATOM 375 CA ILE A 101 61.221 -4.605 0.643 1.00 0.00 C ATOM 376 C ILE A 101 62.675 -4.677 0.215 1.00 0.00 C ATOM 377 O ILE A 101 63.439 -5.401 0.837 1.00 0.00 O ATOM 378 CB ILE A 101 61.023 -3.777 1.899 1.00 0.00 C ATOM 379 CG1 ILE A 101 59.789 -2.921 1.752 1.00 0.00 C ATOM 380 CG2 ILE A 101 62.259 -2.969 2.282 1.00 0.00 C ATOM 381 CD1 ILE A 101 59.299 -2.297 2.974 1.00 0.00 C ATOM 0 H ILE A 101 61.487 -6.342 1.636 1.00 0.00 H new ATOM 0 HA ILE A 101 60.670 -4.176 -0.194 1.00 0.00 H new ATOM 0 HB ILE A 101 60.871 -4.460 2.735 1.00 0.00 H new ATOM 0 HG12 ILE A 101 59.999 -2.136 1.025 1.00 0.00 H new ATOM 0 HG13 ILE A 101 58.991 -3.536 1.336 1.00 0.00 H new ATOM 0 HG21 ILE A 101 62.054 -2.398 3.188 1.00 0.00 H new ATOM 0 HG22 ILE A 101 63.095 -3.645 2.460 1.00 0.00 H new ATOM 0 HG23 ILE A 101 62.512 -2.285 1.472 1.00 0.00 H new ATOM 0 HD11 ILE A 101 58.410 -1.707 2.750 1.00 0.00 H new ATOM 0 HD12 ILE A 101 59.048 -3.069 3.701 1.00 0.00 H new ATOM 0 HD13 ILE A 101 60.072 -1.648 3.386 1.00 0.00 H new ATOM 393 N ARG A 102 63.067 -3.973 -0.833 1.00 0.00 N ATOM 394 CA ARG A 102 64.444 -4.082 -1.323 1.00 0.00 C ATOM 395 C ARG A 102 64.981 -2.762 -1.772 1.00 0.00 C ATOM 396 O ARG A 102 64.232 -1.851 -2.056 1.00 0.00 O ATOM 397 CB ARG A 102 64.535 -5.082 -2.496 1.00 0.00 C ATOM 398 CG ARG A 102 64.144 -6.516 -2.177 1.00 0.00 C ATOM 399 CD ARG A 102 63.877 -7.342 -3.426 1.00 0.00 C ATOM 400 NE ARG A 102 63.627 -8.762 -3.118 1.00 0.00 N ATOM 401 CZ ARG A 102 62.944 -9.620 -3.909 1.00 0.00 C ATOM 402 NH1 ARG A 102 62.375 -9.191 -5.016 1.00 0.00 N ATOM 403 NH2 ARG A 102 62.836 -10.895 -3.571 1.00 0.00 N ATOM 0 H ARG A 102 62.472 -3.331 -1.356 1.00 0.00 H new ATOM 0 HA ARG A 102 65.045 -4.439 -0.487 1.00 0.00 H new ATOM 0 HB2 ARG A 102 63.898 -4.723 -3.304 1.00 0.00 H new ATOM 0 HB3 ARG A 102 65.558 -5.080 -2.872 1.00 0.00 H new ATOM 0 HG2 ARG A 102 64.940 -6.985 -1.599 1.00 0.00 H new ATOM 0 HG3 ARG A 102 63.253 -6.515 -1.550 1.00 0.00 H new ATOM 0 HD2 ARG A 102 63.016 -6.930 -3.953 1.00 0.00 H new ATOM 0 HD3 ARG A 102 64.731 -7.264 -4.099 1.00 0.00 H new ATOM 0 HE ARG A 102 63.998 -9.125 -2.240 1.00 0.00 H new ATOM 0 HH11 ARG A 102 62.449 -8.208 -5.280 1.00 0.00 H new ATOM 0 HH12 ARG A 102 61.861 -9.841 -5.610 1.00 0.00 H new ATOM 0 HH21 ARG A 102 63.269 -11.233 -2.711 1.00 0.00 H new ATOM 0 HH22 ARG A 102 62.320 -11.539 -4.170 1.00 0.00 H new ATOM 417 N CYS A 103 66.305 -2.667 -1.779 1.00 0.00 N ATOM 418 CA CYS A 103 66.991 -1.569 -2.311 1.00 0.00 C ATOM 419 C CYS A 103 66.567 -1.386 -3.787 1.00 0.00 C ATOM 420 O CYS A 103 66.375 -2.376 -4.495 1.00 0.00 O ATOM 421 CB CYS A 103 68.455 -1.862 -2.296 1.00 0.00 C ATOM 422 SG CYS A 103 69.419 -0.327 -2.393 1.00 0.00 S ATOM 0 H CYS A 103 66.918 -3.387 -1.397 1.00 0.00 H new ATOM 0 HA CYS A 103 66.767 -0.676 -1.727 1.00 0.00 H new ATOM 0 HB2 CYS A 103 68.713 -2.402 -1.385 1.00 0.00 H new ATOM 0 HB3 CYS A 103 68.710 -2.510 -3.134 1.00 0.00 H new ATOM 427 N ILE A 104 66.488 -0.177 -4.252 1.00 0.00 N ATOM 428 CA ILE A 104 66.043 0.094 -5.593 1.00 0.00 C ATOM 429 C ILE A 104 67.140 -0.180 -6.581 1.00 0.00 C ATOM 430 O ILE A 104 66.936 -0.712 -7.658 1.00 0.00 O ATOM 431 CB ILE A 104 65.501 1.560 -5.719 1.00 0.00 C ATOM 432 CG1 ILE A 104 64.751 1.730 -7.011 1.00 0.00 C ATOM 433 CG2 ILE A 104 66.605 2.590 -5.652 1.00 0.00 C ATOM 434 CD1 ILE A 104 63.802 2.841 -6.951 1.00 0.00 C ATOM 0 H ILE A 104 66.730 0.655 -3.714 1.00 0.00 H new ATOM 0 HA ILE A 104 65.216 -0.578 -5.824 1.00 0.00 H new ATOM 0 HB ILE A 104 64.835 1.722 -4.871 1.00 0.00 H new ATOM 0 HG12 ILE A 104 65.459 1.902 -7.822 1.00 0.00 H new ATOM 0 HG13 ILE A 104 64.217 0.809 -7.244 1.00 0.00 H new ATOM 0 HG21 ILE A 104 66.177 3.588 -5.744 1.00 0.00 H new ATOM 0 HG22 ILE A 104 67.125 2.504 -4.698 1.00 0.00 H new ATOM 0 HG23 ILE A 104 67.310 2.421 -6.466 1.00 0.00 H new ATOM 0 HD11 ILE A 104 63.282 2.928 -7.905 1.00 0.00 H new ATOM 0 HD12 ILE A 104 63.077 2.658 -6.158 1.00 0.00 H new ATOM 0 HD13 ILE A 104 64.339 3.767 -6.745 1.00 0.00 H new ATOM 446 N ASN A 105 68.300 0.117 -6.142 1.00 0.00 N ATOM 447 CA ASN A 105 69.499 0.004 -6.895 1.00 0.00 C ATOM 448 C ASN A 105 70.292 -1.211 -6.520 1.00 0.00 C ATOM 449 O ASN A 105 71.215 -1.587 -7.235 1.00 0.00 O ATOM 450 CB ASN A 105 70.330 1.289 -6.791 1.00 0.00 C ATOM 451 CG ASN A 105 70.040 2.121 -5.616 1.00 0.00 C ATOM 452 OD1 ASN A 105 69.969 1.491 -4.526 1.00 0.00 O flip ATOM 453 ND2 ASN A 105 69.984 3.352 -5.687 1.00 0.00 N flip ATOM 0 H ASN A 105 68.454 0.465 -5.196 1.00 0.00 H new ATOM 0 HA ASN A 105 69.219 -0.127 -7.940 1.00 0.00 H new ATOM 0 HB2 ASN A 105 71.386 1.021 -6.776 1.00 0.00 H new ATOM 0 HB3 ASN A 105 70.165 1.884 -7.689 1.00 0.00 H new ATOM 0 HD21 ASN A 105 70.046 3.814 -6.594 1.00 0.00 H new ATOM 0 HD22 ASN A 105 69.875 3.907 -4.838 1.00 0.00 H new ATOM 460 N CYS A 106 69.967 -1.832 -5.394 1.00 0.00 N ATOM 461 CA CYS A 106 70.613 -3.101 -5.106 1.00 0.00 C ATOM 462 C CYS A 106 69.735 -4.276 -5.469 1.00 0.00 C ATOM 463 O CYS A 106 70.213 -5.263 -6.021 1.00 0.00 O ATOM 464 CB CYS A 106 71.082 -3.346 -3.663 1.00 0.00 C ATOM 465 SG CYS A 106 72.470 -2.404 -3.051 1.00 0.00 S ATOM 0 H CYS A 106 69.297 -1.500 -4.700 1.00 0.00 H new ATOM 0 HA CYS A 106 71.506 -3.022 -5.726 1.00 0.00 H new ATOM 0 HB2 CYS A 106 70.236 -3.158 -3.002 1.00 0.00 H new ATOM 0 HB3 CYS A 106 71.331 -4.403 -3.570 1.00 0.00 H new ATOM 470 N GLN A 107 68.441 -4.142 -5.133 1.00 0.00 N ATOM 471 CA GLN A 107 67.449 -5.194 -5.190 1.00 0.00 C ATOM 472 C GLN A 107 67.625 -6.159 -4.051 1.00 0.00 C ATOM 473 O GLN A 107 67.041 -7.238 -3.999 1.00 0.00 O ATOM 474 CB GLN A 107 67.364 -5.853 -6.512 1.00 0.00 C ATOM 475 CG GLN A 107 66.852 -4.909 -7.544 1.00 0.00 C ATOM 476 CD GLN A 107 67.939 -4.433 -8.492 1.00 0.00 C ATOM 477 OE1 GLN A 107 68.211 -5.049 -9.520 1.00 0.00 O ATOM 478 NE2 GLN A 107 68.543 -3.325 -8.168 1.00 0.00 N ATOM 0 H GLN A 107 68.056 -3.257 -4.803 1.00 0.00 H new ATOM 0 HA GLN A 107 66.474 -4.723 -5.064 1.00 0.00 H new ATOM 0 HB2 GLN A 107 68.348 -6.219 -6.804 1.00 0.00 H new ATOM 0 HB3 GLN A 107 66.707 -6.721 -6.449 1.00 0.00 H new ATOM 0 HG2 GLN A 107 66.063 -5.396 -8.117 1.00 0.00 H new ATOM 0 HG3 GLN A 107 66.402 -4.047 -7.051 1.00 0.00 H new ATOM 0 HE21 GLN A 107 68.291 -2.840 -7.307 1.00 0.00 H new ATOM 0 HE22 GLN A 107 69.267 -2.942 -8.776 1.00 0.00 H new ATOM 487 N LYS A 108 68.406 -5.699 -3.114 1.00 0.00 N ATOM 488 CA LYS A 108 68.682 -6.342 -1.873 1.00 0.00 C ATOM 489 C LYS A 108 67.595 -6.007 -0.926 1.00 0.00 C ATOM 490 O LYS A 108 67.312 -4.846 -0.720 1.00 0.00 O ATOM 491 CB LYS A 108 69.923 -5.741 -1.318 1.00 0.00 C ATOM 492 CG LYS A 108 70.248 -6.226 0.049 1.00 0.00 C ATOM 493 CD LYS A 108 71.180 -5.296 0.746 1.00 0.00 C ATOM 494 CE LYS A 108 70.440 -4.106 1.316 1.00 0.00 C ATOM 495 NZ LYS A 108 71.378 -3.240 2.053 1.00 0.00 N ATOM 0 H LYS A 108 68.894 -4.809 -3.209 1.00 0.00 H new ATOM 0 HA LYS A 108 68.775 -7.419 -2.014 1.00 0.00 H new ATOM 0 HB2 LYS A 108 70.757 -5.965 -1.984 1.00 0.00 H new ATOM 0 HB3 LYS A 108 69.815 -4.657 -1.296 1.00 0.00 H new ATOM 0 HG2 LYS A 108 69.331 -6.327 0.629 1.00 0.00 H new ATOM 0 HG3 LYS A 108 70.698 -7.217 -0.012 1.00 0.00 H new ATOM 0 HD2 LYS A 108 71.695 -5.826 1.548 1.00 0.00 H new ATOM 0 HD3 LYS A 108 71.944 -4.953 0.049 1.00 0.00 H new ATOM 0 HE2 LYS A 108 69.965 -3.543 0.513 1.00 0.00 H new ATOM 0 HE3 LYS A 108 69.645 -4.445 1.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 70.857 -2.695 2.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 72.098 -3.827 2.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 71.841 -2.587 1.390 1.00 0.00 H new ATOM 509 N PRO A 109 67.000 -6.981 -0.325 1.00 0.00 N ATOM 510 CA PRO A 109 65.969 -6.748 0.622 1.00 0.00 C ATOM 511 C PRO A 109 66.500 -6.058 1.892 1.00 0.00 C ATOM 512 O PRO A 109 67.346 -6.601 2.615 1.00 0.00 O ATOM 513 CB PRO A 109 65.368 -8.113 0.899 1.00 0.00 C ATOM 514 CG PRO A 109 66.142 -9.087 0.065 1.00 0.00 C ATOM 515 CD PRO A 109 67.303 -8.387 -0.513 1.00 0.00 C ATOM 0 HA PRO A 109 65.214 -6.060 0.242 1.00 0.00 H new ATOM 0 HB2 PRO A 109 65.441 -8.363 1.957 1.00 0.00 H new ATOM 0 HB3 PRO A 109 64.310 -8.133 0.639 1.00 0.00 H new ATOM 0 HG2 PRO A 109 66.472 -9.929 0.674 1.00 0.00 H new ATOM 0 HG3 PRO A 109 65.512 -9.493 -0.726 1.00 0.00 H new ATOM 0 HD2 PRO A 109 68.228 -8.666 -0.008 1.00 0.00 H new ATOM 0 HD3 PRO A 109 67.430 -8.630 -1.568 1.00 0.00 H new ATOM 523 N LEU A 110 66.025 -4.844 2.106 1.00 0.00 N ATOM 524 CA LEU A 110 66.431 -3.996 3.219 1.00 0.00 C ATOM 525 C LEU A 110 65.771 -4.479 4.440 1.00 0.00 C ATOM 526 O LEU A 110 64.571 -4.735 4.455 1.00 0.00 O ATOM 527 CB LEU A 110 66.032 -2.538 2.967 1.00 0.00 C ATOM 528 CG LEU A 110 66.317 -1.967 1.600 1.00 0.00 C ATOM 529 CD1 LEU A 110 66.062 -0.486 1.602 1.00 0.00 C ATOM 530 CD2 LEU A 110 67.725 -2.238 1.226 1.00 0.00 C ATOM 0 H LEU A 110 65.331 -4.408 1.499 1.00 0.00 H new ATOM 0 HA LEU A 110 67.515 -4.041 3.326 1.00 0.00 H new ATOM 0 HB2 LEU A 110 64.962 -2.444 3.155 1.00 0.00 H new ATOM 0 HB3 LEU A 110 66.541 -1.917 3.704 1.00 0.00 H new ATOM 0 HG LEU A 110 65.659 -2.439 0.871 1.00 0.00 H new ATOM 0 HD11 LEU A 110 66.270 -0.080 0.612 1.00 0.00 H new ATOM 0 HD12 LEU A 110 65.020 -0.297 1.861 1.00 0.00 H new ATOM 0 HD13 LEU A 110 66.711 -0.006 2.335 1.00 0.00 H new ATOM 0 HD21 LEU A 110 67.925 -1.823 0.238 1.00 0.00 H new ATOM 0 HD22 LEU A 110 68.391 -1.776 1.955 1.00 0.00 H new ATOM 0 HD23 LEU A 110 67.896 -3.314 1.209 1.00 0.00 H new ATOM 542 N SER A 111 66.543 -4.637 5.432 1.00 0.00 N ATOM 543 CA SER A 111 66.077 -5.094 6.698 1.00 0.00 C ATOM 544 C SER A 111 65.626 -3.842 7.493 1.00 0.00 C ATOM 545 O SER A 111 65.759 -2.719 6.956 1.00 0.00 O ATOM 546 CB SER A 111 67.229 -5.862 7.362 1.00 0.00 C ATOM 547 OG SER A 111 67.754 -6.836 6.466 1.00 0.00 O ATOM 0 H SER A 111 67.545 -4.451 5.401 1.00 0.00 H new ATOM 0 HA SER A 111 65.227 -5.773 6.637 1.00 0.00 H new ATOM 0 HB2 SER A 111 68.016 -5.168 7.657 1.00 0.00 H new ATOM 0 HB3 SER A 111 66.875 -6.348 8.271 1.00 0.00 H new ATOM 0 HG SER A 111 68.489 -7.318 6.900 1.00 0.00 H new ATOM 553 N PRO A 112 65.074 -3.972 8.747 1.00 0.00 N ATOM 554 CA PRO A 112 64.607 -2.812 9.547 1.00 0.00 C ATOM 555 C PRO A 112 65.637 -1.679 9.609 1.00 0.00 C ATOM 556 O PRO A 112 65.275 -0.526 9.689 1.00 0.00 O ATOM 557 CB PRO A 112 64.379 -3.410 10.930 1.00 0.00 C ATOM 558 CG PRO A 112 63.985 -4.812 10.653 1.00 0.00 C ATOM 559 CD PRO A 112 64.824 -5.244 9.479 1.00 0.00 C ATOM 0 HA PRO A 112 63.719 -2.351 9.113 1.00 0.00 H new ATOM 0 HB2 PRO A 112 65.281 -3.362 11.540 1.00 0.00 H new ATOM 0 HB3 PRO A 112 63.599 -2.876 11.472 1.00 0.00 H new ATOM 0 HG2 PRO A 112 64.166 -5.448 11.519 1.00 0.00 H new ATOM 0 HG3 PRO A 112 62.922 -4.882 10.422 1.00 0.00 H new ATOM 0 HD2 PRO A 112 65.754 -5.712 9.801 1.00 0.00 H new ATOM 0 HD3 PRO A 112 64.301 -5.970 8.856 1.00 0.00 H new ATOM 567 N GLU A 113 66.908 -2.039 9.515 1.00 0.00 N ATOM 568 CA GLU A 113 68.027 -1.095 9.479 1.00 0.00 C ATOM 569 C GLU A 113 67.849 -0.011 8.381 1.00 0.00 C ATOM 570 O GLU A 113 67.982 1.191 8.645 1.00 0.00 O ATOM 571 CB GLU A 113 69.335 -1.873 9.243 1.00 0.00 C ATOM 572 CG GLU A 113 69.294 -2.778 8.009 1.00 0.00 C ATOM 573 CD GLU A 113 70.555 -3.549 7.778 1.00 0.00 C ATOM 574 OE1 GLU A 113 71.613 -2.950 7.637 1.00 0.00 O ATOM 575 OE2 GLU A 113 70.484 -4.784 7.670 1.00 0.00 O ATOM 0 H GLU A 113 67.202 -3.014 9.460 1.00 0.00 H new ATOM 0 HA GLU A 113 68.061 -0.577 10.437 1.00 0.00 H new ATOM 0 HB2 GLU A 113 70.156 -1.164 9.136 1.00 0.00 H new ATOM 0 HB3 GLU A 113 69.551 -2.480 10.122 1.00 0.00 H new ATOM 0 HG2 GLU A 113 68.466 -3.479 8.112 1.00 0.00 H new ATOM 0 HG3 GLU A 113 69.087 -2.167 7.130 1.00 0.00 H new ATOM 582 N GLU A 114 67.519 -0.438 7.172 1.00 0.00 N ATOM 583 CA GLU A 114 67.412 0.452 6.053 1.00 0.00 C ATOM 584 C GLU A 114 65.978 0.887 5.830 1.00 0.00 C ATOM 585 O GLU A 114 65.708 1.912 5.238 1.00 0.00 O ATOM 586 CB GLU A 114 68.058 -0.238 4.899 1.00 0.00 C ATOM 587 CG GLU A 114 69.535 -0.346 5.145 1.00 0.00 C ATOM 588 CD GLU A 114 70.224 -1.430 4.390 1.00 0.00 C ATOM 589 OE1 GLU A 114 69.652 -2.520 4.199 1.00 0.00 O ATOM 590 OE2 GLU A 114 71.370 -1.222 3.973 1.00 0.00 O ATOM 0 H GLU A 114 67.320 -1.414 6.951 1.00 0.00 H new ATOM 0 HA GLU A 114 67.932 1.395 6.219 1.00 0.00 H new ATOM 0 HB2 GLU A 114 67.627 -1.230 4.767 1.00 0.00 H new ATOM 0 HB3 GLU A 114 67.871 0.316 3.979 1.00 0.00 H new ATOM 0 HG2 GLU A 114 70.001 0.606 4.890 1.00 0.00 H new ATOM 0 HG3 GLU A 114 69.699 -0.506 6.211 1.00 0.00 H new ATOM 597 N LYS A 115 65.074 0.131 6.379 1.00 0.00 N ATOM 598 CA LYS A 115 63.660 0.488 6.429 1.00 0.00 C ATOM 599 C LYS A 115 63.480 1.671 7.340 1.00 0.00 C ATOM 600 O LYS A 115 62.748 2.592 7.039 1.00 0.00 O ATOM 601 CB LYS A 115 62.900 -0.697 6.964 1.00 0.00 C ATOM 602 CG LYS A 115 62.710 -1.796 5.938 1.00 0.00 C ATOM 603 CD LYS A 115 62.097 -3.084 6.494 1.00 0.00 C ATOM 604 CE LYS A 115 61.775 -3.998 5.346 1.00 0.00 C ATOM 605 NZ LYS A 115 61.508 -5.400 5.730 1.00 0.00 N ATOM 0 H LYS A 115 65.286 -0.766 6.815 1.00 0.00 H new ATOM 0 HA LYS A 115 63.291 0.750 5.437 1.00 0.00 H new ATOM 0 HB2 LYS A 115 63.430 -1.101 7.826 1.00 0.00 H new ATOM 0 HB3 LYS A 115 61.924 -0.365 7.317 1.00 0.00 H new ATOM 0 HG2 LYS A 115 62.073 -1.422 5.137 1.00 0.00 H new ATOM 0 HG3 LYS A 115 63.677 -2.031 5.493 1.00 0.00 H new ATOM 0 HD2 LYS A 115 62.793 -3.568 7.179 1.00 0.00 H new ATOM 0 HD3 LYS A 115 61.195 -2.859 7.062 1.00 0.00 H new ATOM 0 HE2 LYS A 115 60.903 -3.607 4.821 1.00 0.00 H new ATOM 0 HE3 LYS A 115 62.606 -3.980 4.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 61.530 -6.002 4.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 62.234 -5.720 6.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 60.571 -5.465 6.176 1.00 0.00 H new ATOM 619 N GLN A 116 64.203 1.662 8.442 1.00 0.00 N ATOM 620 CA GLN A 116 64.191 2.750 9.412 1.00 0.00 C ATOM 621 C GLN A 116 64.811 3.966 8.844 1.00 0.00 C ATOM 622 O GLN A 116 64.645 5.033 9.350 1.00 0.00 O ATOM 623 CB GLN A 116 64.889 2.333 10.690 1.00 0.00 C ATOM 624 CG GLN A 116 63.970 1.975 11.879 1.00 0.00 C ATOM 625 CD GLN A 116 62.935 0.846 11.646 1.00 0.00 C ATOM 626 OE1 GLN A 116 62.416 0.719 10.455 1.00 0.00 O flip ATOM 627 NE2 GLN A 116 62.593 0.118 12.574 1.00 0.00 N flip ATOM 0 H GLN A 116 64.823 0.893 8.696 1.00 0.00 H new ATOM 0 HA GLN A 116 63.154 2.983 9.652 1.00 0.00 H new ATOM 0 HB2 GLN A 116 65.519 1.471 10.471 1.00 0.00 H new ATOM 0 HB3 GLN A 116 65.551 3.142 10.999 1.00 0.00 H new ATOM 0 HG2 GLN A 116 64.600 1.690 12.722 1.00 0.00 H new ATOM 0 HG3 GLN A 116 63.431 2.875 12.175 1.00 0.00 H new ATOM 0 HE21 GLN A 116 63.013 0.236 13.496 1.00 0.00 H new ATOM 0 HE22 GLN A 116 61.889 -0.605 12.423 1.00 0.00 H new ATOM 636 N ARG A 117 65.466 3.806 7.763 1.00 0.00 N ATOM 637 CA ARG A 117 66.018 4.945 7.084 1.00 0.00 C ATOM 638 C ARG A 117 64.861 5.713 6.472 1.00 0.00 C ATOM 639 O ARG A 117 64.767 6.927 6.579 1.00 0.00 O ATOM 640 CB ARG A 117 67.009 4.528 5.997 1.00 0.00 C ATOM 641 CG ARG A 117 67.701 5.676 5.334 1.00 0.00 C ATOM 642 CD ARG A 117 68.991 5.211 4.757 1.00 0.00 C ATOM 643 NE ARG A 117 69.911 4.793 5.842 1.00 0.00 N ATOM 644 CZ ARG A 117 71.205 5.123 5.942 1.00 0.00 C ATOM 645 NH1 ARG A 117 71.858 5.643 4.901 1.00 0.00 N ATOM 646 NH2 ARG A 117 71.862 4.845 7.064 1.00 0.00 N ATOM 0 H ARG A 117 65.642 2.906 7.316 1.00 0.00 H new ATOM 0 HA ARG A 117 66.569 5.563 7.793 1.00 0.00 H new ATOM 0 HB2 ARG A 117 67.758 3.869 6.436 1.00 0.00 H new ATOM 0 HB3 ARG A 117 66.480 3.949 5.240 1.00 0.00 H new ATOM 0 HG2 ARG A 117 67.068 6.092 4.550 1.00 0.00 H new ATOM 0 HG3 ARG A 117 67.879 6.473 6.056 1.00 0.00 H new ATOM 0 HD2 ARG A 117 68.815 4.377 4.077 1.00 0.00 H new ATOM 0 HD3 ARG A 117 69.446 6.010 4.171 1.00 0.00 H new ATOM 0 HE ARG A 117 69.524 4.202 6.577 1.00 0.00 H new ATOM 0 HH11 ARG A 117 71.372 5.793 4.017 1.00 0.00 H new ATOM 0 HH12 ARG A 117 72.844 5.890 4.989 1.00 0.00 H new ATOM 0 HH21 ARG A 117 71.380 4.385 7.837 1.00 0.00 H new ATOM 0 HH22 ARG A 117 72.848 5.091 7.152 1.00 0.00 H new ATOM 660 N HIS A 118 63.944 4.973 5.916 1.00 0.00 N ATOM 661 CA HIS A 118 62.799 5.523 5.247 1.00 0.00 C ATOM 662 C HIS A 118 61.688 5.859 6.244 1.00 0.00 C ATOM 663 O HIS A 118 60.788 6.638 5.952 1.00 0.00 O ATOM 664 CB HIS A 118 62.307 4.542 4.198 1.00 0.00 C ATOM 665 CG HIS A 118 63.398 4.147 3.174 1.00 0.00 C ATOM 666 ND1 HIS A 118 64.155 5.043 2.443 1.00 0.00 N ATOM 667 CD2 HIS A 118 63.889 2.946 2.839 1.00 0.00 C ATOM 668 CE1 HIS A 118 65.048 4.367 1.741 1.00 0.00 C ATOM 669 NE2 HIS A 118 64.928 3.090 1.935 1.00 0.00 N ATOM 0 H HIS A 118 63.972 3.953 5.915 1.00 0.00 H new ATOM 0 HA HIS A 118 63.089 6.453 4.757 1.00 0.00 H new ATOM 0 HB2 HIS A 118 61.941 3.643 4.694 1.00 0.00 H new ATOM 0 HB3 HIS A 118 61.462 4.981 3.668 1.00 0.00 H new ATOM 0 HD2 HIS A 118 63.527 2.002 3.219 1.00 0.00 H new ATOM 0 HE1 HIS A 118 65.782 4.819 1.090 1.00 0.00 H new ATOM 0 HE2 HIS A 118 65.483 2.347 1.510 1.00 0.00 H new ATOM 677 N LEU A 119 61.765 5.270 7.420 1.00 0.00 N ATOM 678 CA LEU A 119 60.776 5.504 8.469 1.00 0.00 C ATOM 679 C LEU A 119 61.215 6.581 9.426 1.00 0.00 C ATOM 680 O LEU A 119 60.500 7.534 9.642 1.00 0.00 O ATOM 681 CB LEU A 119 60.481 4.239 9.255 1.00 0.00 C ATOM 682 CG LEU A 119 60.121 3.018 8.449 1.00 0.00 C ATOM 683 CD1 LEU A 119 59.647 1.898 9.344 1.00 0.00 C ATOM 684 CD2 LEU A 119 59.090 3.353 7.441 1.00 0.00 C ATOM 0 H LEU A 119 62.506 4.620 7.681 1.00 0.00 H new ATOM 0 HA LEU A 119 59.869 5.830 7.960 1.00 0.00 H new ATOM 0 HB2 LEU A 119 61.355 4.002 9.862 1.00 0.00 H new ATOM 0 HB3 LEU A 119 59.662 4.448 9.943 1.00 0.00 H new ATOM 0 HG LEU A 119 61.017 2.676 7.930 1.00 0.00 H new ATOM 0 HD11 LEU A 119 59.394 1.029 8.736 1.00 0.00 H new ATOM 0 HD12 LEU A 119 60.438 1.633 10.045 1.00 0.00 H new ATOM 0 HD13 LEU A 119 58.766 2.223 9.898 1.00 0.00 H new ATOM 0 HD21 LEU A 119 58.840 2.461 6.866 1.00 0.00 H new ATOM 0 HD22 LEU A 119 58.196 3.723 7.944 1.00 0.00 H new ATOM 0 HD23 LEU A 119 59.473 4.122 6.770 1.00 0.00 H new ATOM 696 N ASP A 120 62.374 6.400 10.030 1.00 0.00 N ATOM 697 CA ASP A 120 62.916 7.390 10.994 1.00 0.00 C ATOM 698 C ASP A 120 63.159 8.709 10.315 1.00 0.00 C ATOM 699 O ASP A 120 62.574 9.732 10.675 1.00 0.00 O ATOM 700 CB ASP A 120 64.243 6.927 11.552 1.00 0.00 C ATOM 701 CG ASP A 120 64.791 7.851 12.619 1.00 0.00 C ATOM 702 OD1 ASP A 120 65.508 8.821 12.285 1.00 0.00 O ATOM 703 OD2 ASP A 120 64.533 7.616 13.808 1.00 0.00 O ATOM 0 H ASP A 120 62.970 5.586 9.883 1.00 0.00 H new ATOM 0 HA ASP A 120 62.181 7.494 11.792 1.00 0.00 H new ATOM 0 HB2 ASP A 120 64.126 5.927 11.970 1.00 0.00 H new ATOM 0 HB3 ASP A 120 64.966 6.850 10.740 1.00 0.00 H new ATOM 708 N LYS A 121 64.001 8.663 9.294 1.00 0.00 N ATOM 709 CA LYS A 121 64.397 9.851 8.562 1.00 0.00 C ATOM 710 C LYS A 121 63.299 10.253 7.611 1.00 0.00 C ATOM 711 O LYS A 121 63.323 11.337 7.036 1.00 0.00 O ATOM 712 CB LYS A 121 65.672 9.593 7.794 1.00 0.00 C ATOM 713 CG LYS A 121 66.793 9.010 8.632 1.00 0.00 C ATOM 714 CD LYS A 121 68.077 8.906 7.831 1.00 0.00 C ATOM 715 CE LYS A 121 69.148 8.148 8.582 1.00 0.00 C ATOM 716 NZ LYS A 121 69.534 8.814 9.845 1.00 0.00 N ATOM 0 H LYS A 121 64.427 7.802 8.952 1.00 0.00 H new ATOM 0 HA LYS A 121 64.573 10.659 9.272 1.00 0.00 H new ATOM 0 HB2 LYS A 121 65.456 8.912 6.971 1.00 0.00 H new ATOM 0 HB3 LYS A 121 66.013 10.529 7.352 1.00 0.00 H new ATOM 0 HG2 LYS A 121 66.958 9.635 9.510 1.00 0.00 H new ATOM 0 HG3 LYS A 121 66.505 8.023 8.993 1.00 0.00 H new ATOM 0 HD2 LYS A 121 67.875 8.406 6.884 1.00 0.00 H new ATOM 0 HD3 LYS A 121 68.439 9.906 7.593 1.00 0.00 H new ATOM 0 HE2 LYS A 121 68.791 7.142 8.800 1.00 0.00 H new ATOM 0 HE3 LYS A 121 70.028 8.043 7.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 70.317 8.292 10.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 69.837 9.789 9.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 68.720 8.830 10.492 1.00 0.00 H new ATOM 730 N LYS A 122 62.349 9.334 7.440 1.00 0.00 N ATOM 731 CA LYS A 122 61.128 9.546 6.677 1.00 0.00 C ATOM 732 C LYS A 122 61.434 9.852 5.206 1.00 0.00 C ATOM 733 O LYS A 122 60.830 10.722 4.604 1.00 0.00 O ATOM 734 CB LYS A 122 60.310 10.666 7.330 1.00 0.00 C ATOM 735 CG LYS A 122 60.071 10.465 8.808 1.00 0.00 C ATOM 736 CD LYS A 122 59.344 11.628 9.449 1.00 0.00 C ATOM 737 CE LYS A 122 59.200 11.410 10.950 1.00 0.00 C ATOM 738 NZ LYS A 122 60.514 11.324 11.636 1.00 0.00 N ATOM 0 H LYS A 122 62.413 8.398 7.841 1.00 0.00 H new ATOM 0 HA LYS A 122 60.538 8.629 6.688 1.00 0.00 H new ATOM 0 HB2 LYS A 122 60.826 11.614 7.181 1.00 0.00 H new ATOM 0 HB3 LYS A 122 59.348 10.743 6.823 1.00 0.00 H new ATOM 0 HG2 LYS A 122 59.492 9.554 8.957 1.00 0.00 H new ATOM 0 HG3 LYS A 122 61.028 10.320 9.310 1.00 0.00 H new ATOM 0 HD2 LYS A 122 59.890 12.553 9.261 1.00 0.00 H new ATOM 0 HD3 LYS A 122 58.359 11.742 8.997 1.00 0.00 H new ATOM 0 HE2 LYS A 122 58.621 12.228 11.380 1.00 0.00 H new ATOM 0 HE3 LYS A 122 58.638 10.493 11.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 60.366 11.261 12.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 61.023 10.479 11.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 61.075 12.172 11.419 1.00 0.00 H new ATOM 752 N GLN A 123 62.378 9.117 4.654 1.00 0.00 N ATOM 753 CA GLN A 123 62.771 9.246 3.238 1.00 0.00 C ATOM 754 C GLN A 123 61.581 8.931 2.297 1.00 0.00 C ATOM 755 O GLN A 123 60.556 8.352 2.720 1.00 0.00 O ATOM 756 CB GLN A 123 63.831 8.222 2.881 1.00 0.00 C ATOM 757 CG GLN A 123 65.066 8.100 3.759 1.00 0.00 C ATOM 758 CD GLN A 123 66.018 9.262 3.736 1.00 0.00 C ATOM 759 OE1 GLN A 123 66.779 9.378 4.793 1.00 0.00 O flip ATOM 760 NE2 GLN A 123 66.118 9.989 2.764 1.00 0.00 N flip ATOM 0 H GLN A 123 62.904 8.407 5.164 1.00 0.00 H new ATOM 0 HA GLN A 123 63.126 10.269 3.114 1.00 0.00 H new ATOM 0 HB2 GLN A 123 63.348 7.245 2.855 1.00 0.00 H new ATOM 0 HB3 GLN A 123 64.168 8.438 1.867 1.00 0.00 H new ATOM 0 HG2 GLN A 123 64.740 7.945 4.788 1.00 0.00 H new ATOM 0 HG3 GLN A 123 65.611 7.205 3.459 1.00 0.00 H new ATOM 0 HE21 GLN A 123 65.500 9.858 1.963 1.00 0.00 H new ATOM 0 HE22 GLN A 123 66.820 10.729 2.751 1.00 0.00 H new ATOM 769 N ARG A 124 61.769 9.239 1.027 1.00 0.00 N ATOM 770 CA ARG A 124 60.793 8.975 -0.002 1.00 0.00 C ATOM 771 C ARG A 124 61.276 7.949 -1.006 1.00 0.00 C ATOM 772 O ARG A 124 62.088 8.243 -1.883 1.00 0.00 O ATOM 773 CB ARG A 124 60.389 10.237 -0.728 1.00 0.00 C ATOM 774 CG ARG A 124 59.419 11.097 0.031 1.00 0.00 C ATOM 775 CD ARG A 124 59.027 12.305 -0.780 1.00 0.00 C ATOM 776 NE ARG A 124 58.669 11.924 -2.151 1.00 0.00 N ATOM 777 CZ ARG A 124 57.442 11.891 -2.664 1.00 0.00 C ATOM 778 NH1 ARG A 124 56.374 12.154 -1.918 1.00 0.00 N ATOM 779 NH2 ARG A 124 57.293 11.565 -3.928 1.00 0.00 N ATOM 0 H ARG A 124 62.618 9.686 0.681 1.00 0.00 H new ATOM 0 HA ARG A 124 59.923 8.568 0.512 1.00 0.00 H new ATOM 0 HB2 ARG A 124 61.283 10.821 -0.945 1.00 0.00 H new ATOM 0 HB3 ARG A 124 59.945 9.966 -1.686 1.00 0.00 H new ATOM 0 HG2 ARG A 124 58.530 10.517 0.281 1.00 0.00 H new ATOM 0 HG3 ARG A 124 59.867 11.415 0.972 1.00 0.00 H new ATOM 0 HD2 ARG A 124 58.184 12.807 -0.306 1.00 0.00 H new ATOM 0 HD3 ARG A 124 59.852 13.017 -0.800 1.00 0.00 H new ATOM 0 HE ARG A 124 59.435 11.659 -2.770 1.00 0.00 H new ATOM 0 HH11 ARG A 124 56.486 12.387 -0.931 1.00 0.00 H new ATOM 0 HH12 ARG A 124 55.442 12.123 -2.332 1.00 0.00 H new ATOM 0 HH21 ARG A 124 58.110 11.343 -4.497 1.00 0.00 H new ATOM 0 HH22 ARG A 124 56.361 11.534 -4.340 1.00 0.00 H new ATOM 793 N PHE A 125 60.764 6.768 -0.873 1.00 0.00 N ATOM 794 CA PHE A 125 61.052 5.653 -1.774 1.00 0.00 C ATOM 795 C PHE A 125 59.848 5.445 -2.670 1.00 0.00 C ATOM 796 O PHE A 125 58.919 6.258 -2.657 1.00 0.00 O ATOM 797 CB PHE A 125 61.353 4.336 -0.978 1.00 0.00 C ATOM 798 CG PHE A 125 60.375 4.006 0.133 1.00 0.00 C ATOM 799 CD1 PHE A 125 59.084 4.471 0.101 1.00 0.00 C ATOM 800 CD2 PHE A 125 60.743 3.231 1.202 1.00 0.00 C ATOM 801 CE1 PHE A 125 58.212 4.183 1.068 1.00 0.00 C ATOM 802 CE2 PHE A 125 59.832 2.952 2.187 1.00 0.00 C ATOM 803 CZ PHE A 125 58.590 3.423 2.108 1.00 0.00 C ATOM 0 H PHE A 125 60.116 6.526 -0.123 1.00 0.00 H new ATOM 0 HA PHE A 125 61.937 5.891 -2.364 1.00 0.00 H new ATOM 0 HB2 PHE A 125 61.371 3.503 -1.681 1.00 0.00 H new ATOM 0 HB3 PHE A 125 62.352 4.412 -0.548 1.00 0.00 H new ATOM 0 HD1 PHE A 125 58.766 5.086 -0.728 1.00 0.00 H new ATOM 0 HD2 PHE A 125 61.748 2.841 1.268 1.00 0.00 H new ATOM 0 HE1 PHE A 125 57.202 4.561 1.014 1.00 0.00 H new ATOM 0 HE2 PHE A 125 60.124 2.346 3.032 1.00 0.00 H new ATOM 0 HZ PHE A 125 57.879 3.192 2.888 1.00 0.00 H new ATOM 813 N HIS A 126 59.824 4.364 -3.381 1.00 0.00 N ATOM 814 CA HIS A 126 58.701 4.048 -4.195 1.00 0.00 C ATOM 815 C HIS A 126 57.894 2.933 -3.505 1.00 0.00 C ATOM 816 O HIS A 126 58.462 2.114 -2.821 1.00 0.00 O ATOM 817 CB HIS A 126 59.164 3.619 -5.592 1.00 0.00 C ATOM 818 CG HIS A 126 58.050 3.610 -6.581 1.00 0.00 C ATOM 819 ND1 HIS A 126 56.936 2.866 -6.601 1.00 0.00 N flip ATOM 820 CD2 HIS A 126 57.977 4.438 -7.665 1.00 0.00 C flip ATOM 821 CE1 HIS A 126 56.159 3.223 -7.692 1.00 0.00 C flip ATOM 822 NE2 HIS A 126 56.836 4.185 -8.298 1.00 0.00 N flip ATOM 0 H HIS A 126 60.580 3.680 -3.412 1.00 0.00 H new ATOM 0 HA HIS A 126 58.065 4.925 -4.317 1.00 0.00 H new ATOM 0 HB2 HIS A 126 59.946 4.295 -5.936 1.00 0.00 H new ATOM 0 HB3 HIS A 126 59.605 2.624 -5.536 1.00 0.00 H new ATOM 0 HD2 HIS A 126 58.716 5.169 -7.956 1.00 0.00 H new ATOM 0 HE1 HIS A 126 55.207 2.806 -7.984 1.00 0.00 H new ATOM 0 HE2 HIS A 126 56.523 4.669 -9.140 1.00 0.00 H new ATOM 830 N ASN A 127 56.575 2.967 -3.643 1.00 0.00 N ATOM 831 CA ASN A 127 55.638 1.946 -3.113 1.00 0.00 C ATOM 832 C ASN A 127 55.136 1.085 -4.233 1.00 0.00 C ATOM 833 O ASN A 127 54.517 1.581 -5.158 1.00 0.00 O ATOM 834 CB ASN A 127 54.437 2.612 -2.432 1.00 0.00 C ATOM 835 CG ASN A 127 54.752 3.116 -1.067 1.00 0.00 C ATOM 836 OD1 ASN A 127 53.886 3.247 -0.229 1.00 0.00 O ATOM 837 ND2 ASN A 127 55.983 3.354 -0.818 1.00 0.00 N ATOM 0 H ASN A 127 56.099 3.721 -4.139 1.00 0.00 H new ATOM 0 HA ASN A 127 56.176 1.340 -2.384 1.00 0.00 H new ATOM 0 HB2 ASN A 127 54.089 3.441 -3.049 1.00 0.00 H new ATOM 0 HB3 ASN A 127 53.618 1.896 -2.369 1.00 0.00 H new ATOM 0 HD21 ASN A 127 56.264 3.665 0.112 1.00 0.00 H new ATOM 0 HD22 ASN A 127 56.684 3.232 -1.549 1.00 0.00 H new ATOM 844 N ILE A 128 55.404 -0.198 -4.161 1.00 0.00 N ATOM 845 CA ILE A 128 55.045 -1.115 -5.208 1.00 0.00 C ATOM 846 C ILE A 128 54.005 -2.046 -4.640 1.00 0.00 C ATOM 847 O ILE A 128 53.870 -2.128 -3.425 1.00 0.00 O ATOM 848 CB ILE A 128 56.328 -1.870 -5.770 1.00 0.00 C ATOM 849 CG1 ILE A 128 57.303 -0.839 -6.315 1.00 0.00 C ATOM 850 CG2 ILE A 128 55.986 -2.862 -6.874 1.00 0.00 C ATOM 851 CD1 ILE A 128 58.128 -0.120 -5.315 1.00 0.00 C ATOM 0 H ILE A 128 55.879 -0.633 -3.370 1.00 0.00 H new ATOM 0 HA ILE A 128 54.626 -0.595 -6.069 1.00 0.00 H new ATOM 0 HB ILE A 128 56.767 -2.435 -4.947 1.00 0.00 H new ATOM 0 HG12 ILE A 128 57.973 -1.338 -7.015 1.00 0.00 H new ATOM 0 HG13 ILE A 128 56.738 -0.102 -6.885 1.00 0.00 H new ATOM 0 HG21 ILE A 128 56.897 -3.349 -7.221 1.00 0.00 H new ATOM 0 HG22 ILE A 128 55.298 -3.614 -6.487 1.00 0.00 H new ATOM 0 HG23 ILE A 128 55.517 -2.334 -7.705 1.00 0.00 H new ATOM 0 HD11 ILE A 128 58.783 0.587 -5.824 1.00 0.00 H new ATOM 0 HD12 ILE A 128 57.477 0.419 -4.626 1.00 0.00 H new ATOM 0 HD13 ILE A 128 58.732 -0.837 -4.758 1.00 0.00 H new ATOM 863 N ARG A 129 53.251 -2.707 -5.452 1.00 0.00 N ATOM 864 CA ARG A 129 52.178 -3.477 -4.921 1.00 0.00 C ATOM 865 C ARG A 129 52.585 -4.820 -4.375 1.00 0.00 C ATOM 866 O ARG A 129 52.692 -5.808 -5.091 1.00 0.00 O ATOM 867 CB ARG A 129 50.984 -3.531 -5.846 1.00 0.00 C ATOM 868 CG ARG A 129 49.697 -3.138 -5.148 1.00 0.00 C ATOM 869 CD ARG A 129 49.804 -1.723 -4.592 1.00 0.00 C ATOM 870 NE ARG A 129 48.616 -1.312 -3.862 1.00 0.00 N ATOM 871 CZ ARG A 129 48.451 -0.118 -3.273 1.00 0.00 C ATOM 872 NH1 ARG A 129 49.465 0.743 -3.185 1.00 0.00 N ATOM 873 NH2 ARG A 129 47.300 0.185 -2.721 1.00 0.00 N ATOM 0 H ARG A 129 53.354 -2.731 -6.467 1.00 0.00 H new ATOM 0 HA ARG A 129 51.846 -2.929 -4.039 1.00 0.00 H new ATOM 0 HB2 ARG A 129 51.153 -2.866 -6.693 1.00 0.00 H new ATOM 0 HB3 ARG A 129 50.884 -4.539 -6.248 1.00 0.00 H new ATOM 0 HG2 ARG A 129 48.863 -3.198 -5.848 1.00 0.00 H new ATOM 0 HG3 ARG A 129 49.486 -3.838 -4.340 1.00 0.00 H new ATOM 0 HD2 ARG A 129 50.669 -1.662 -3.932 1.00 0.00 H new ATOM 0 HD3 ARG A 129 49.979 -1.028 -5.413 1.00 0.00 H new ATOM 0 HE ARG A 129 47.850 -1.982 -3.792 1.00 0.00 H new ATOM 0 HH11 ARG A 129 50.378 0.497 -3.568 1.00 0.00 H new ATOM 0 HH12 ARG A 129 49.328 1.648 -2.735 1.00 0.00 H new ATOM 0 HH21 ARG A 129 46.533 -0.487 -2.740 1.00 0.00 H new ATOM 0 HH22 ARG A 129 47.173 1.092 -2.273 1.00 0.00 H new ATOM 887 N GLY A 130 52.836 -4.812 -3.093 1.00 0.00 N ATOM 888 CA GLY A 130 53.148 -5.996 -2.364 1.00 0.00 C ATOM 889 C GLY A 130 54.598 -6.044 -1.931 1.00 0.00 C ATOM 890 O GLY A 130 54.997 -6.914 -1.165 1.00 0.00 O ATOM 0 H GLY A 130 52.827 -3.966 -2.524 1.00 0.00 H new ATOM 0 HA2 GLY A 130 52.507 -6.057 -1.484 1.00 0.00 H new ATOM 0 HA3 GLY A 130 52.927 -6.867 -2.980 1.00 0.00 H new ATOM 894 N ARG A 131 55.393 -5.153 -2.473 1.00 0.00 N ATOM 895 CA ARG A 131 56.797 -5.017 -2.116 1.00 0.00 C ATOM 896 C ARG A 131 57.185 -3.595 -2.385 1.00 0.00 C ATOM 897 O ARG A 131 56.365 -2.840 -2.869 1.00 0.00 O ATOM 898 CB ARG A 131 57.649 -5.893 -3.022 1.00 0.00 C ATOM 899 CG ARG A 131 57.611 -5.453 -4.477 1.00 0.00 C ATOM 900 CD ARG A 131 59.002 -5.230 -5.004 1.00 0.00 C ATOM 901 NE ARG A 131 59.012 -4.856 -6.420 1.00 0.00 N ATOM 902 CZ ARG A 131 60.005 -4.188 -7.026 1.00 0.00 C ATOM 903 NH1 ARG A 131 61.077 -3.805 -6.329 1.00 0.00 N ATOM 904 NH2 ARG A 131 59.935 -3.924 -8.327 1.00 0.00 N ATOM 0 H ARG A 131 55.085 -4.490 -3.185 1.00 0.00 H new ATOM 0 HA ARG A 131 56.946 -5.302 -1.075 1.00 0.00 H new ATOM 0 HB2 ARG A 131 58.680 -5.877 -2.670 1.00 0.00 H new ATOM 0 HB3 ARG A 131 57.304 -6.925 -2.951 1.00 0.00 H new ATOM 0 HG2 ARG A 131 57.107 -6.210 -5.078 1.00 0.00 H new ATOM 0 HG3 ARG A 131 57.031 -4.535 -4.569 1.00 0.00 H new ATOM 0 HD2 ARG A 131 59.487 -4.447 -4.421 1.00 0.00 H new ATOM 0 HD3 ARG A 131 59.589 -6.138 -4.867 1.00 0.00 H new ATOM 0 HE ARG A 131 58.206 -5.123 -6.986 1.00 0.00 H new ATOM 0 HH11 ARG A 131 61.142 -4.020 -5.334 1.00 0.00 H new ATOM 0 HH12 ARG A 131 61.831 -3.297 -6.791 1.00 0.00 H new ATOM 0 HH21 ARG A 131 59.125 -4.229 -8.867 1.00 0.00 H new ATOM 0 HH22 ARG A 131 60.691 -3.416 -8.786 1.00 0.00 H new ATOM 918 N TRP A 132 58.393 -3.202 -2.092 1.00 0.00 N ATOM 919 CA TRP A 132 58.845 -2.011 -2.703 1.00 0.00 C ATOM 920 C TRP A 132 60.308 -2.003 -3.100 1.00 0.00 C ATOM 921 O TRP A 132 60.980 -3.042 -3.067 1.00 0.00 O ATOM 922 CB TRP A 132 58.397 -0.749 -2.010 1.00 0.00 C ATOM 923 CG TRP A 132 58.790 -0.424 -0.667 1.00 0.00 C ATOM 924 CD1 TRP A 132 57.996 -0.060 0.289 1.00 0.00 C ATOM 925 CD2 TRP A 132 60.126 -0.329 -0.159 1.00 0.00 C ATOM 926 NE1 TRP A 132 58.717 0.250 1.386 1.00 0.00 N ATOM 927 CE2 TRP A 132 60.060 0.076 1.109 1.00 0.00 C ATOM 928 CE3 TRP A 132 61.331 -0.577 -0.672 1.00 0.00 C ATOM 929 CZ2 TRP A 132 61.232 0.253 1.898 1.00 0.00 C ATOM 930 CZ3 TRP A 132 62.450 -0.428 0.048 1.00 0.00 C ATOM 931 CH2 TRP A 132 62.410 -0.014 1.311 1.00 0.00 C ATOM 0 H TRP A 132 59.046 -3.670 -1.464 1.00 0.00 H new ATOM 0 HA TRP A 132 58.318 -2.010 -3.657 1.00 0.00 H new ATOM 0 HB2 TRP A 132 58.717 0.082 -2.638 1.00 0.00 H new ATOM 0 HB3 TRP A 132 57.307 -0.757 -2.023 1.00 0.00 H new ATOM 0 HD1 TRP A 132 56.919 -0.012 0.219 1.00 0.00 H new ATOM 0 HE1 TRP A 132 58.333 0.563 2.278 1.00 0.00 H new ATOM 0 HE3 TRP A 132 61.407 -0.907 -1.697 1.00 0.00 H new ATOM 0 HZ2 TRP A 132 61.176 0.587 2.923 1.00 0.00 H new ATOM 0 HZ3 TRP A 132 63.405 -0.649 -0.406 1.00 0.00 H new ATOM 0 HH2 TRP A 132 63.328 0.108 1.867 1.00 0.00 H new ATOM 942 N THR A 133 60.794 -0.815 -3.485 1.00 0.00 N ATOM 943 CA THR A 133 62.129 -0.607 -3.851 1.00 0.00 C ATOM 944 C THR A 133 62.536 0.795 -3.210 1.00 0.00 C ATOM 945 O THR A 133 61.846 1.816 -3.381 1.00 0.00 O ATOM 946 CB THR A 133 62.164 -0.647 -5.401 1.00 0.00 C ATOM 947 OG1 THR A 133 63.432 -0.749 -5.932 1.00 0.00 O ATOM 948 CG2 THR A 133 61.387 0.486 -6.005 1.00 0.00 C ATOM 0 H THR A 133 60.222 0.028 -3.539 1.00 0.00 H new ATOM 0 HA THR A 133 62.842 -1.351 -3.496 1.00 0.00 H new ATOM 0 HB THR A 133 61.665 -1.575 -5.679 1.00 0.00 H new ATOM 0 HG1 THR A 133 63.669 -1.694 -6.034 1.00 0.00 H new ATOM 0 HG21 THR A 133 61.436 0.422 -7.092 1.00 0.00 H new ATOM 0 HG22 THR A 133 60.347 0.425 -5.685 1.00 0.00 H new ATOM 0 HG23 THR A 133 61.813 1.434 -5.678 1.00 0.00 H new ATOM 956 N GLY A 134 63.571 0.763 -2.398 1.00 0.00 N ATOM 957 CA GLY A 134 64.038 1.880 -1.580 1.00 0.00 C ATOM 958 C GLY A 134 65.496 2.132 -1.799 1.00 0.00 C ATOM 959 O GLY A 134 65.967 1.957 -2.857 1.00 0.00 O ATOM 0 H GLY A 134 64.140 -0.075 -2.279 1.00 0.00 H new ATOM 0 HA2 GLY A 134 63.469 2.777 -1.825 1.00 0.00 H new ATOM 0 HA3 GLY A 134 63.857 1.665 -0.527 1.00 0.00 H new ATOM 963 N ARG A 135 66.222 2.513 -0.813 1.00 0.00 N ATOM 964 CA ARG A 135 67.668 2.669 -0.970 1.00 0.00 C ATOM 965 C ARG A 135 68.318 2.233 0.275 1.00 0.00 C ATOM 966 O ARG A 135 68.078 2.827 1.335 1.00 0.00 O ATOM 967 CB ARG A 135 68.141 4.119 -1.260 1.00 0.00 C ATOM 968 CG ARG A 135 67.762 4.747 -2.594 1.00 0.00 C ATOM 969 CD ARG A 135 66.330 5.213 -2.623 1.00 0.00 C ATOM 970 NE ARG A 135 65.991 5.853 -3.887 1.00 0.00 N ATOM 971 CZ ARG A 135 64.990 6.719 -4.048 1.00 0.00 C ATOM 972 NH1 ARG A 135 64.279 7.112 -3.001 1.00 0.00 N ATOM 973 NH2 ARG A 135 64.713 7.192 -5.248 1.00 0.00 N ATOM 0 H ARG A 135 65.865 2.728 0.118 1.00 0.00 H new ATOM 0 HA ARG A 135 67.942 2.069 -1.838 1.00 0.00 H new ATOM 0 HB2 ARG A 135 67.753 4.760 -0.468 1.00 0.00 H new ATOM 0 HB3 ARG A 135 69.228 4.137 -1.181 1.00 0.00 H new ATOM 0 HG2 ARG A 135 68.420 5.592 -2.795 1.00 0.00 H new ATOM 0 HG3 ARG A 135 67.922 4.022 -3.392 1.00 0.00 H new ATOM 0 HD2 ARG A 135 65.668 4.363 -2.458 1.00 0.00 H new ATOM 0 HD3 ARG A 135 66.160 5.913 -1.805 1.00 0.00 H new ATOM 0 HE ARG A 135 66.557 5.623 -4.704 1.00 0.00 H new ATOM 0 HH11 ARG A 135 64.498 6.752 -2.072 1.00 0.00 H new ATOM 0 HH12 ARG A 135 63.513 7.774 -3.124 1.00 0.00 H new ATOM 0 HH21 ARG A 135 65.265 6.895 -6.053 1.00 0.00 H new ATOM 0 HH22 ARG A 135 63.947 7.854 -5.371 1.00 0.00 H new ATOM 987 N CYS A 136 69.106 1.183 0.199 1.00 0.00 N ATOM 988 CA CYS A 136 69.843 0.780 1.367 1.00 0.00 C ATOM 989 C CYS A 136 70.858 1.858 1.758 1.00 0.00 C ATOM 990 O CYS A 136 71.051 2.806 1.032 1.00 0.00 O ATOM 991 CB CYS A 136 70.569 -0.522 1.132 1.00 0.00 C ATOM 992 SG CYS A 136 72.123 -0.487 0.181 1.00 0.00 S ATOM 0 H CYS A 136 69.248 0.611 -0.633 1.00 0.00 H new ATOM 0 HA CYS A 136 69.126 0.642 2.176 1.00 0.00 H new ATOM 0 HB2 CYS A 136 70.785 -0.962 2.105 1.00 0.00 H new ATOM 0 HB3 CYS A 136 69.883 -1.198 0.622 1.00 0.00 H new ATOM 997 N MET A 137 71.509 1.686 2.882 1.00 0.00 N ATOM 998 CA MET A 137 72.552 2.632 3.380 1.00 0.00 C ATOM 999 C MET A 137 73.526 3.044 2.317 1.00 0.00 C ATOM 1000 O MET A 137 73.796 4.209 2.159 1.00 0.00 O ATOM 1001 CB MET A 137 73.325 2.020 4.521 1.00 0.00 C ATOM 1002 CG MET A 137 72.476 1.626 5.667 1.00 0.00 C ATOM 1003 SD MET A 137 73.385 0.765 6.959 1.00 0.00 S ATOM 1004 CE MET A 137 73.854 -0.714 6.057 1.00 0.00 C ATOM 0 H MET A 137 71.350 0.891 3.501 1.00 0.00 H new ATOM 0 HA MET A 137 72.013 3.520 3.712 1.00 0.00 H new ATOM 0 HB2 MET A 137 73.860 1.143 4.157 1.00 0.00 H new ATOM 0 HB3 MET A 137 74.076 2.732 4.864 1.00 0.00 H new ATOM 0 HG2 MET A 137 72.012 2.517 6.090 1.00 0.00 H new ATOM 0 HG3 MET A 137 71.670 0.985 5.310 1.00 0.00 H new ATOM 0 HE1 MET A 137 73.546 -1.596 6.619 1.00 0.00 H new ATOM 0 HE2 MET A 137 73.366 -0.716 5.082 1.00 0.00 H new ATOM 0 HE3 MET A 137 74.935 -0.730 5.921 1.00 0.00 H new ATOM 1014 N SER A 138 74.007 2.105 1.597 1.00 0.00 N ATOM 1015 CA SER A 138 74.990 2.365 0.569 1.00 0.00 C ATOM 1016 C SER A 138 74.403 3.293 -0.532 1.00 0.00 C ATOM 1017 O SER A 138 75.045 4.263 -0.970 1.00 0.00 O ATOM 1018 CB SER A 138 75.480 1.023 -0.028 1.00 0.00 C ATOM 1019 OG SER A 138 76.549 1.192 -0.954 1.00 0.00 O ATOM 0 H SER A 138 73.742 1.124 1.689 1.00 0.00 H new ATOM 0 HA SER A 138 75.842 2.882 1.009 1.00 0.00 H new ATOM 0 HB2 SER A 138 75.805 0.367 0.780 1.00 0.00 H new ATOM 0 HB3 SER A 138 74.648 0.526 -0.527 1.00 0.00 H new ATOM 0 HG SER A 138 76.823 0.317 -1.301 1.00 0.00 H new ATOM 1025 N CYS A 139 73.162 3.048 -0.870 1.00 0.00 N ATOM 1026 CA CYS A 139 72.521 3.647 -1.961 1.00 0.00 C ATOM 1027 C CYS A 139 71.709 4.889 -1.615 1.00 0.00 C ATOM 1028 O CYS A 139 71.398 5.699 -2.470 1.00 0.00 O ATOM 1029 CB CYS A 139 71.705 2.595 -2.517 1.00 0.00 C ATOM 1030 SG CYS A 139 72.674 1.165 -3.006 1.00 0.00 S ATOM 0 H CYS A 139 72.567 2.397 -0.358 1.00 0.00 H new ATOM 0 HA CYS A 139 73.252 4.037 -2.669 1.00 0.00 H new ATOM 0 HB2 CYS A 139 70.959 2.291 -1.783 1.00 0.00 H new ATOM 0 HB3 CYS A 139 71.164 2.977 -3.383 1.00 0.00 H new ATOM 1035 N SER A 140 71.358 5.013 -0.378 1.00 0.00 N ATOM 1036 CA SER A 140 70.646 6.139 0.115 1.00 0.00 C ATOM 1037 C SER A 140 71.614 7.315 0.250 1.00 0.00 C ATOM 1038 O SER A 140 71.224 8.488 0.295 1.00 0.00 O ATOM 1039 CB SER A 140 70.014 5.738 1.441 1.00 0.00 C ATOM 1040 OG SER A 140 70.983 5.205 2.321 1.00 0.00 O ATOM 0 H SER A 140 71.565 4.314 0.335 1.00 0.00 H new ATOM 0 HA SER A 140 69.852 6.456 -0.561 1.00 0.00 H new ATOM 0 HB2 SER A 140 69.539 6.606 1.899 1.00 0.00 H new ATOM 0 HB3 SER A 140 69.230 5.001 1.267 1.00 0.00 H new ATOM 0 HG SER A 140 71.125 4.257 2.116 1.00 0.00 H new ATOM 1046 N ARG A 141 72.880 6.970 0.312 1.00 0.00 N ATOM 1047 CA ARG A 141 73.942 7.916 0.336 1.00 0.00 C ATOM 1048 C ARG A 141 74.334 8.216 -1.103 1.00 0.00 C ATOM 1049 O ARG A 141 74.100 9.314 -1.607 1.00 0.00 O ATOM 1050 CB ARG A 141 75.140 7.337 1.065 1.00 0.00 C ATOM 1051 CG ARG A 141 74.902 6.942 2.504 1.00 0.00 C ATOM 1052 CD ARG A 141 76.153 6.299 3.062 1.00 0.00 C ATOM 1053 NE ARG A 141 75.951 5.779 4.410 1.00 0.00 N ATOM 1054 CZ ARG A 141 76.247 4.540 4.806 1.00 0.00 C ATOM 1055 NH1 ARG A 141 76.699 3.639 3.930 1.00 0.00 N ATOM 1056 NH2 ARG A 141 76.061 4.194 6.071 1.00 0.00 N ATOM 0 H ARG A 141 73.194 6.000 0.347 1.00 0.00 H new ATOM 0 HA ARG A 141 73.621 8.822 0.850 1.00 0.00 H new ATOM 0 HB2 ARG A 141 75.485 6.459 0.519 1.00 0.00 H new ATOM 0 HB3 ARG A 141 75.948 8.068 1.037 1.00 0.00 H new ATOM 0 HG2 ARG A 141 74.636 7.819 3.094 1.00 0.00 H new ATOM 0 HG3 ARG A 141 74.064 6.248 2.568 1.00 0.00 H new ATOM 0 HD2 ARG A 141 76.467 5.488 2.405 1.00 0.00 H new ATOM 0 HD3 ARG A 141 76.961 7.030 3.074 1.00 0.00 H new ATOM 0 HE ARG A 141 75.553 6.412 5.104 1.00 0.00 H new ATOM 0 HH11 ARG A 141 76.820 3.896 2.950 1.00 0.00 H new ATOM 0 HH12 ARG A 141 76.923 2.694 4.241 1.00 0.00 H new ATOM 0 HH21 ARG A 141 75.693 4.874 6.737 1.00 0.00 H new ATOM 0 HH22 ARG A 141 76.286 3.248 6.379 1.00 0.00 H new ATOM 1070 N SER A 142 74.873 7.211 -1.775 1.00 0.00 N ATOM 1071 CA SER A 142 75.298 7.345 -3.137 1.00 0.00 C ATOM 1072 C SER A 142 74.148 6.914 -4.042 1.00 0.00 C ATOM 1073 O SER A 142 74.034 5.756 -4.410 1.00 0.00 O ATOM 1074 CB SER A 142 76.553 6.489 -3.374 1.00 0.00 C ATOM 1075 OG SER A 142 77.148 6.713 -4.653 1.00 0.00 O ATOM 0 H SER A 142 75.023 6.283 -1.380 1.00 0.00 H new ATOM 0 HA SER A 142 75.558 8.379 -3.362 1.00 0.00 H new ATOM 0 HB2 SER A 142 77.285 6.705 -2.596 1.00 0.00 H new ATOM 0 HB3 SER A 142 76.290 5.435 -3.281 1.00 0.00 H new ATOM 0 HG SER A 142 76.702 6.154 -5.323 1.00 0.00 H new ATOM 1081 N SER A 143 73.273 7.842 -4.339 1.00 0.00 N ATOM 1082 CA SER A 143 72.079 7.540 -5.088 1.00 0.00 C ATOM 1083 C SER A 143 72.237 7.892 -6.563 1.00 0.00 C ATOM 1084 O SER A 143 71.531 7.347 -7.419 1.00 0.00 O ATOM 1085 CB SER A 143 70.887 8.293 -4.470 1.00 0.00 C ATOM 1086 OG SER A 143 69.646 7.988 -5.115 1.00 0.00 O ATOM 0 H SER A 143 73.367 8.822 -4.071 1.00 0.00 H new ATOM 0 HA SER A 143 71.897 6.467 -5.034 1.00 0.00 H new ATOM 0 HB2 SER A 143 70.813 8.042 -3.412 1.00 0.00 H new ATOM 0 HB3 SER A 143 71.069 9.366 -4.531 1.00 0.00 H new ATOM 0 HG SER A 143 68.922 8.489 -4.685 1.00 0.00 H new ATOM 1092 N ARG A 144 73.145 8.787 -6.869 1.00 0.00 N ATOM 1093 CA ARG A 144 73.317 9.207 -8.233 1.00 0.00 C ATOM 1094 C ARG A 144 74.214 8.221 -8.965 1.00 0.00 C ATOM 1095 O ARG A 144 73.769 7.514 -9.868 1.00 0.00 O ATOM 1096 CB ARG A 144 73.863 10.639 -8.302 1.00 0.00 C ATOM 1097 CG ARG A 144 73.983 11.214 -9.712 1.00 0.00 C ATOM 1098 CD ARG A 144 72.621 11.477 -10.403 1.00 0.00 C ATOM 1099 NE ARG A 144 71.805 10.262 -10.607 1.00 0.00 N ATOM 1100 CZ ARG A 144 71.932 9.406 -11.648 1.00 0.00 C ATOM 1101 NH1 ARG A 144 72.892 9.581 -12.554 1.00 0.00 N ATOM 1102 NH2 ARG A 144 71.107 8.371 -11.761 1.00 0.00 N ATOM 0 H ARG A 144 73.769 9.233 -6.197 1.00 0.00 H new ATOM 0 HA ARG A 144 72.347 9.215 -8.729 1.00 0.00 H new ATOM 0 HB2 ARG A 144 73.214 11.288 -7.714 1.00 0.00 H new ATOM 0 HB3 ARG A 144 74.846 10.661 -7.832 1.00 0.00 H new ATOM 0 HG2 ARG A 144 74.542 12.149 -9.666 1.00 0.00 H new ATOM 0 HG3 ARG A 144 74.563 10.525 -10.326 1.00 0.00 H new ATOM 0 HD2 ARG A 144 72.052 12.187 -9.803 1.00 0.00 H new ATOM 0 HD3 ARG A 144 72.801 11.948 -11.369 1.00 0.00 H new ATOM 0 HE ARG A 144 71.091 10.052 -9.910 1.00 0.00 H new ATOM 0 HH11 ARG A 144 73.539 10.365 -12.467 1.00 0.00 H new ATOM 0 HH12 ARG A 144 72.981 8.931 -13.335 1.00 0.00 H new ATOM 0 HH21 ARG A 144 70.378 8.221 -11.063 1.00 0.00 H new ATOM 0 HH22 ARG A 144 71.203 7.726 -12.545 1.00 0.00 H new ATOM 1116 N THR A 145 75.448 8.151 -8.560 1.00 0.00 N ATOM 1117 CA THR A 145 76.349 7.204 -9.112 1.00 0.00 C ATOM 1118 C THR A 145 76.137 5.892 -8.379 1.00 0.00 C ATOM 1119 O THR A 145 76.677 5.665 -7.282 1.00 0.00 O ATOM 1120 CB THR A 145 77.798 7.679 -8.969 1.00 0.00 C ATOM 1121 OG1 THR A 145 77.883 9.027 -9.473 1.00 0.00 O ATOM 1122 CG2 THR A 145 78.722 6.787 -9.782 1.00 0.00 C ATOM 0 H THR A 145 75.850 8.751 -7.839 1.00 0.00 H new ATOM 0 HA THR A 145 76.160 7.079 -10.178 1.00 0.00 H new ATOM 0 HB THR A 145 78.097 7.638 -7.922 1.00 0.00 H new ATOM 0 HG1 THR A 145 78.804 9.350 -9.388 1.00 0.00 H new ATOM 0 HG21 THR A 145 79.750 7.133 -9.674 1.00 0.00 H new ATOM 0 HG22 THR A 145 78.645 5.761 -9.424 1.00 0.00 H new ATOM 0 HG23 THR A 145 78.435 6.827 -10.833 1.00 0.00 H new ATOM 1130 N ARG A 146 75.269 5.096 -8.930 1.00 0.00 N ATOM 1131 CA ARG A 146 74.878 3.865 -8.342 1.00 0.00 C ATOM 1132 C ARG A 146 74.367 2.991 -9.458 1.00 0.00 C ATOM 1133 O ARG A 146 73.707 3.501 -10.381 1.00 0.00 O ATOM 1134 CB ARG A 146 73.753 4.149 -7.350 1.00 0.00 C ATOM 1135 CG ARG A 146 73.393 3.022 -6.400 1.00 0.00 C ATOM 1136 CD ARG A 146 74.432 2.803 -5.298 1.00 0.00 C ATOM 1137 NE ARG A 146 75.683 2.171 -5.748 1.00 0.00 N ATOM 1138 CZ ARG A 146 76.172 1.040 -5.236 1.00 0.00 C ATOM 1139 NH1 ARG A 146 75.504 0.390 -4.284 1.00 0.00 N ATOM 1140 NH2 ARG A 146 77.327 0.569 -5.669 1.00 0.00 N ATOM 0 H ARG A 146 74.808 5.295 -9.818 1.00 0.00 H new ATOM 0 HA ARG A 146 75.702 3.377 -7.822 1.00 0.00 H new ATOM 0 HB2 ARG A 146 74.032 5.020 -6.757 1.00 0.00 H new ATOM 0 HB3 ARG A 146 72.860 4.419 -7.914 1.00 0.00 H new ATOM 0 HG2 ARG A 146 72.428 3.237 -5.942 1.00 0.00 H new ATOM 0 HG3 ARG A 146 73.277 2.100 -6.969 1.00 0.00 H new ATOM 0 HD2 ARG A 146 74.670 3.766 -4.845 1.00 0.00 H new ATOM 0 HD3 ARG A 146 73.989 2.184 -4.518 1.00 0.00 H new ATOM 0 HE ARG A 146 76.207 2.625 -6.496 1.00 0.00 H new ATOM 0 HH11 ARG A 146 74.615 0.757 -3.944 1.00 0.00 H new ATOM 0 HH12 ARG A 146 75.882 -0.474 -3.895 1.00 0.00 H new ATOM 0 HH21 ARG A 146 77.843 1.069 -6.393 1.00 0.00 H new ATOM 0 HH22 ARG A 146 77.704 -0.295 -5.280 1.00 0.00 H new ATOM 1154 N ARG A 147 74.680 1.712 -9.420 1.00 0.00 N ATOM 1155 CA ARG A 147 74.235 0.816 -10.437 1.00 0.00 C ATOM 1156 C ARG A 147 72.796 0.452 -10.332 1.00 0.00 C ATOM 1157 O ARG A 147 72.146 0.668 -9.315 1.00 0.00 O ATOM 1158 CB ARG A 147 75.060 -0.409 -10.523 1.00 0.00 C ATOM 1159 CG ARG A 147 76.149 -0.292 -11.532 1.00 0.00 C ATOM 1160 CD ARG A 147 76.592 -1.628 -11.934 1.00 0.00 C ATOM 1161 NE ARG A 147 77.277 -2.317 -10.832 1.00 0.00 N ATOM 1162 CZ ARG A 147 78.175 -3.309 -10.937 1.00 0.00 C ATOM 1163 NH1 ARG A 147 78.565 -3.767 -12.128 1.00 0.00 N ATOM 1164 NH2 ARG A 147 78.668 -3.851 -9.830 1.00 0.00 N ATOM 0 H ARG A 147 75.244 1.280 -8.688 1.00 0.00 H new ATOM 0 HA ARG A 147 74.359 1.382 -11.360 1.00 0.00 H new ATOM 0 HB2 ARG A 147 75.495 -0.620 -9.546 1.00 0.00 H new ATOM 0 HB3 ARG A 147 74.422 -1.256 -10.777 1.00 0.00 H new ATOM 0 HG2 ARG A 147 75.795 0.262 -12.402 1.00 0.00 H new ATOM 0 HG3 ARG A 147 76.985 0.269 -11.116 1.00 0.00 H new ATOM 0 HD2 ARG A 147 75.733 -2.217 -12.256 1.00 0.00 H new ATOM 0 HD3 ARG A 147 77.263 -1.549 -12.789 1.00 0.00 H new ATOM 0 HE ARG A 147 77.046 -2.009 -9.888 1.00 0.00 H new ATOM 0 HH11 ARG A 147 78.179 -3.362 -12.981 1.00 0.00 H new ATOM 0 HH12 ARG A 147 79.249 -4.522 -12.185 1.00 0.00 H new ATOM 0 HH21 ARG A 147 78.364 -3.513 -8.917 1.00 0.00 H new ATOM 0 HH22 ARG A 147 79.351 -4.606 -9.892 1.00 0.00 H new ATOM 1178 N GLU A 148 72.321 -0.126 -11.389 1.00 0.00 N ATOM 1179 CA GLU A 148 70.965 -0.480 -11.571 1.00 0.00 C ATOM 1180 C GLU A 148 70.701 -1.871 -11.076 1.00 0.00 C ATOM 1181 O GLU A 148 69.830 -2.100 -10.257 1.00 0.00 O ATOM 1182 CB GLU A 148 70.711 -0.446 -13.059 1.00 0.00 C ATOM 1183 CG GLU A 148 70.343 0.921 -13.645 1.00 0.00 C ATOM 1184 CD GLU A 148 71.343 2.008 -13.369 1.00 0.00 C ATOM 1185 OE1 GLU A 148 72.395 2.043 -14.024 1.00 0.00 O ATOM 1186 OE2 GLU A 148 71.091 2.841 -12.488 1.00 0.00 O ATOM 0 H GLU A 148 72.907 -0.373 -12.186 1.00 0.00 H new ATOM 0 HA GLU A 148 70.321 0.205 -11.020 1.00 0.00 H new ATOM 0 HB2 GLU A 148 71.603 -0.810 -13.569 1.00 0.00 H new ATOM 0 HB3 GLU A 148 69.907 -1.146 -13.287 1.00 0.00 H new ATOM 0 HG2 GLU A 148 70.224 0.819 -14.724 1.00 0.00 H new ATOM 0 HG3 GLU A 148 69.376 1.225 -13.245 1.00 0.00 H new ATOM 1193 N THR A 149 71.473 -2.784 -11.578 1.00 0.00 N ATOM 1194 CA THR A 149 71.257 -4.182 -11.357 1.00 0.00 C ATOM 1195 C THR A 149 72.604 -4.889 -11.310 1.00 0.00 C ATOM 1196 O THR A 149 72.723 -6.080 -11.595 1.00 0.00 O ATOM 1197 CB THR A 149 70.399 -4.700 -12.525 1.00 0.00 C ATOM 1198 OG1 THR A 149 70.146 -6.123 -12.440 1.00 0.00 O ATOM 1199 CG2 THR A 149 71.068 -4.347 -13.837 1.00 0.00 C ATOM 0 H THR A 149 72.283 -2.577 -12.162 1.00 0.00 H new ATOM 0 HA THR A 149 70.745 -4.370 -10.413 1.00 0.00 H new ATOM 0 HB THR A 149 69.426 -4.212 -12.468 1.00 0.00 H new ATOM 0 HG1 THR A 149 70.957 -6.582 -12.137 1.00 0.00 H new ATOM 0 HG21 THR A 149 70.461 -4.713 -14.665 1.00 0.00 H new ATOM 0 HG22 THR A 149 71.171 -3.265 -13.913 1.00 0.00 H new ATOM 0 HG23 THR A 149 72.055 -4.809 -13.878 1.00 0.00 H new ATOM 1207 N GLN A 150 73.598 -4.126 -10.906 1.00 0.00 N ATOM 1208 CA GLN A 150 74.982 -4.587 -10.726 1.00 0.00 C ATOM 1209 C GLN A 150 75.573 -5.138 -12.013 1.00 0.00 C ATOM 1210 O GLN A 150 76.445 -6.002 -11.995 1.00 0.00 O ATOM 1211 CB GLN A 150 75.134 -5.602 -9.569 1.00 0.00 C ATOM 1212 CG GLN A 150 74.739 -5.068 -8.200 1.00 0.00 C ATOM 1213 CD GLN A 150 73.247 -4.965 -8.027 1.00 0.00 C ATOM 1214 OE1 GLN A 150 72.484 -5.788 -8.516 1.00 0.00 O ATOM 1215 NE2 GLN A 150 72.821 -3.917 -7.456 1.00 0.00 N ATOM 0 H GLN A 150 73.474 -3.138 -10.684 1.00 0.00 H new ATOM 0 HA GLN A 150 75.553 -3.701 -10.448 1.00 0.00 H new ATOM 0 HB2 GLN A 150 74.526 -6.479 -9.791 1.00 0.00 H new ATOM 0 HB3 GLN A 150 76.171 -5.934 -9.529 1.00 0.00 H new ATOM 0 HG2 GLN A 150 75.146 -5.721 -7.428 1.00 0.00 H new ATOM 0 HG3 GLN A 150 75.187 -4.085 -8.055 1.00 0.00 H new ATOM 0 HE21 GLN A 150 73.481 -3.249 -7.058 1.00 0.00 H new ATOM 0 HE22 GLN A 150 71.818 -3.741 -7.395 1.00 0.00 H new ATOM 1224 N LEU A 151 75.130 -4.605 -13.099 1.00 0.00 N ATOM 1225 CA LEU A 151 75.663 -4.925 -14.369 1.00 0.00 C ATOM 1226 C LEU A 151 76.399 -3.698 -14.838 1.00 0.00 C ATOM 1227 O LEU A 151 77.626 -3.630 -14.681 1.00 0.00 O ATOM 1228 CB LEU A 151 74.556 -5.289 -15.333 1.00 0.00 C ATOM 1229 CG LEU A 151 75.027 -5.821 -16.678 1.00 0.00 C ATOM 1230 CD1 LEU A 151 75.854 -7.095 -16.510 1.00 0.00 C ATOM 1231 CD2 LEU A 151 73.850 -6.084 -17.550 1.00 0.00 C ATOM 1232 OXT LEU A 151 75.733 -2.731 -15.210 1.00 0.00 O ATOM 0 H LEU A 151 74.373 -3.922 -13.125 1.00 0.00 H new ATOM 0 HA LEU A 151 76.330 -5.786 -14.314 1.00 0.00 H new ATOM 0 HB2 LEU A 151 73.919 -6.039 -14.865 1.00 0.00 H new ATOM 0 HB3 LEU A 151 73.938 -4.407 -15.504 1.00 0.00 H new ATOM 0 HG LEU A 151 75.664 -5.069 -17.143 1.00 0.00 H new ATOM 0 HD11 LEU A 151 76.176 -7.451 -17.488 1.00 0.00 H new ATOM 0 HD12 LEU A 151 76.729 -6.883 -15.895 1.00 0.00 H new ATOM 0 HD13 LEU A 151 75.248 -7.861 -16.027 1.00 0.00 H new ATOM 0 HD21 LEU A 151 74.189 -6.465 -18.513 1.00 0.00 H new ATOM 0 HD22 LEU A 151 73.203 -6.822 -17.075 1.00 0.00 H new ATOM 0 HD23 LEU A 151 73.295 -5.158 -17.701 1.00 0.00 H new TER 1244 LEU A 151 HETATM 1245 ZN ZN A 201 71.684 -0.561 -2.035 1.00 0.00 ZN