USER MOD reduce.3.24.130724 H: found=0, std=0, add=622, rem=0, adj=24 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 86 THR OG1 : rot -19:sc= 0.651 USER MOD Set 1.2: A 122 LYS NZ :NH3+ 152:sc= 0.501 (180deg=-0.362) USER MOD Set 2.1: A 81 TYR OH : rot 142:sc= -0.309 USER MOD Set 2.2: A 87 THR OG1 : rot -54:sc= 0.771 USER MOD Set 2.3: A 90 GLN : amide:sc= -1.06 K(o=-1.9,f=-0.34) USER MOD Set 2.4: A 91 GLN : amide:sc= -1.28 K(o=-1.9,f=-0.34) USER MOD Single : A 79 MET CE :methyl -146:sc= -0.782 (180deg=-2.32!) USER MOD Single : A 80 SER OG : rot 180:sc= -0.0185 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 92 TYR OH : rot 176:sc= 0.747 USER MOD Single : A 93 ASN : amide:sc= -0.639 K(o=-0.64,f=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 SER OG : rot 180:sc= 0.0496 USER MOD Single : A 105 ASN : amide:sc= -11.9! C(o=-12!,f=-12!) USER MOD Single : A 107 GLN : amide:sc= 0.017 X(o=0.017,f=0) USER MOD Single : A 108 LYS NZ :NH3+ -147:sc= 0.979 (180deg=-3.7!) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 115 LYS NZ :NH3+ -150:sc= 1.21 (180deg=0.946) USER MOD Single : A 116 GLN : amide:sc= -8.56! K(o=-8.6!,f=-1.9) USER MOD Single : A 118 HIS : no HE2:sc= -3.17! C(o=-3.2!,f=-7.8!) USER MOD Single : A 121 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0149) USER MOD Single : A 123 GLN : amide:sc= -1.64 K(o=-1.6,f=-3.6!) USER MOD Single : A 126 HIS : no HE2:sc= -2.03 K(o=-2,f=-4.7!) USER MOD Single : A 127 ASN : amide:sc= -3.08 K(o=-3.1,f=-3.6!) USER MOD Single : A 133 THR OG1 : rot 40:sc= -6.21! USER MOD Single : A 137 MET CE :methyl -156:sc= -0.195 (180deg=-0.828) USER MOD Single : A 138 SER OG : rot 180:sc= 0 USER MOD Single : A 140 SER OG : rot -77:sc= -0.242 USER MOD Single : A 142 SER OG : rot 135:sc= 0.696 USER MOD Single : A 143 SER OG : rot 180:sc=1.73e-05 USER MOD Single : A 145 THR OG1 : rot 180:sc= 0 USER MOD Single : A 149 THR OG1 : rot -37:sc= 0.346 USER MOD Single : A 150 GLN : amide:sc= -1.3 K(o=-1.3,f=-0.56) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 77 46.372 2.971 -1.607 1.00 0.00 N ATOM 2 CA GLY A 77 46.751 1.589 -1.906 1.00 0.00 C ATOM 3 C GLY A 77 47.921 1.578 -2.835 1.00 0.00 C ATOM 4 O GLY A 77 48.057 2.495 -3.642 1.00 0.00 O ATOM 0 HA2 GLY A 77 47.001 1.063 -0.985 1.00 0.00 H new ATOM 0 HA3 GLY A 77 45.911 1.061 -2.357 1.00 0.00 H new ATOM 10 N ALA A 78 48.754 0.552 -2.755 1.00 0.00 N ATOM 11 CA ALA A 78 49.984 0.499 -3.528 1.00 0.00 C ATOM 12 C ALA A 78 49.754 0.260 -5.024 1.00 0.00 C ATOM 13 O ALA A 78 49.794 -0.864 -5.515 1.00 0.00 O ATOM 14 CB ALA A 78 50.956 -0.517 -2.952 1.00 0.00 C ATOM 0 H ALA A 78 48.598 -0.260 -2.158 1.00 0.00 H new ATOM 0 HA ALA A 78 50.432 1.489 -3.446 1.00 0.00 H new ATOM 0 HB1 ALA A 78 51.865 -0.532 -3.553 1.00 0.00 H new ATOM 0 HB2 ALA A 78 51.203 -0.243 -1.926 1.00 0.00 H new ATOM 0 HB3 ALA A 78 50.498 -1.506 -2.963 1.00 0.00 H new ATOM 20 N MET A 79 49.485 1.335 -5.727 1.00 0.00 N ATOM 21 CA MET A 79 49.296 1.321 -7.172 1.00 0.00 C ATOM 22 C MET A 79 50.592 1.819 -7.843 1.00 0.00 C ATOM 23 O MET A 79 50.627 2.185 -9.017 1.00 0.00 O ATOM 24 CB MET A 79 48.082 2.199 -7.541 1.00 0.00 C ATOM 25 CG MET A 79 47.626 2.193 -9.018 1.00 0.00 C ATOM 26 SD MET A 79 47.071 0.572 -9.648 1.00 0.00 S ATOM 27 CE MET A 79 48.616 -0.251 -10.082 1.00 0.00 C ATOM 0 H MET A 79 49.388 2.262 -5.312 1.00 0.00 H new ATOM 0 HA MET A 79 49.091 0.311 -7.527 1.00 0.00 H new ATOM 0 HB2 MET A 79 47.239 1.884 -6.926 1.00 0.00 H new ATOM 0 HB3 MET A 79 48.313 3.227 -7.263 1.00 0.00 H new ATOM 0 HG2 MET A 79 46.812 2.909 -9.134 1.00 0.00 H new ATOM 0 HG3 MET A 79 48.451 2.544 -9.638 1.00 0.00 H new ATOM 0 HE1 MET A 79 48.458 -0.885 -10.954 1.00 0.00 H new ATOM 0 HE2 MET A 79 49.375 0.497 -10.310 1.00 0.00 H new ATOM 0 HE3 MET A 79 48.950 -0.863 -9.244 1.00 0.00 H new ATOM 37 N SER A 80 51.649 1.776 -7.057 1.00 0.00 N ATOM 38 CA SER A 80 52.992 2.162 -7.431 1.00 0.00 C ATOM 39 C SER A 80 53.183 3.669 -7.619 1.00 0.00 C ATOM 40 O SER A 80 52.745 4.274 -8.605 1.00 0.00 O ATOM 41 CB SER A 80 53.511 1.355 -8.587 1.00 0.00 C ATOM 42 OG SER A 80 53.404 -0.045 -8.303 1.00 0.00 O ATOM 0 H SER A 80 51.590 1.454 -6.091 1.00 0.00 H new ATOM 0 HA SER A 80 53.614 1.917 -6.570 1.00 0.00 H new ATOM 0 HB2 SER A 80 52.947 1.594 -9.489 1.00 0.00 H new ATOM 0 HB3 SER A 80 54.551 1.615 -8.783 1.00 0.00 H new ATOM 0 HG SER A 80 53.744 -0.560 -9.064 1.00 0.00 H new ATOM 48 N TYR A 81 53.845 4.238 -6.654 1.00 0.00 N ATOM 49 CA TYR A 81 54.152 5.649 -6.555 1.00 0.00 C ATOM 50 C TYR A 81 55.226 5.774 -5.524 1.00 0.00 C ATOM 51 O TYR A 81 55.604 4.769 -4.926 1.00 0.00 O ATOM 52 CB TYR A 81 52.916 6.465 -6.112 1.00 0.00 C ATOM 53 CG TYR A 81 52.167 5.815 -4.968 1.00 0.00 C ATOM 54 CD1 TYR A 81 52.523 5.998 -3.611 1.00 0.00 C ATOM 55 CD2 TYR A 81 51.126 4.971 -5.257 1.00 0.00 C ATOM 56 CE1 TYR A 81 51.832 5.342 -2.621 1.00 0.00 C ATOM 57 CE2 TYR A 81 50.458 4.321 -4.290 1.00 0.00 C ATOM 58 CZ TYR A 81 50.797 4.497 -2.980 1.00 0.00 C ATOM 59 OH TYR A 81 50.115 3.812 -2.040 1.00 0.00 O ATOM 0 H TYR A 81 54.210 3.704 -5.865 1.00 0.00 H new ATOM 0 HA TYR A 81 54.465 6.037 -7.525 1.00 0.00 H new ATOM 0 HB2 TYR A 81 53.233 7.464 -5.812 1.00 0.00 H new ATOM 0 HB3 TYR A 81 52.242 6.586 -6.960 1.00 0.00 H new ATOM 0 HD1 TYR A 81 53.340 6.655 -3.353 1.00 0.00 H new ATOM 0 HD2 TYR A 81 50.836 4.825 -6.287 1.00 0.00 H new ATOM 0 HE1 TYR A 81 52.092 5.483 -1.582 1.00 0.00 H new ATOM 0 HE2 TYR A 81 49.648 3.656 -4.551 1.00 0.00 H new ATOM 0 HH TYR A 81 49.166 3.779 -2.283 1.00 0.00 H new ATOM 69 N SER A 82 55.682 6.942 -5.273 1.00 0.00 N ATOM 70 CA SER A 82 56.675 7.119 -4.280 1.00 0.00 C ATOM 71 C SER A 82 56.006 7.638 -2.994 1.00 0.00 C ATOM 72 O SER A 82 54.966 8.308 -3.063 1.00 0.00 O ATOM 73 CB SER A 82 57.741 8.072 -4.793 1.00 0.00 C ATOM 74 OG SER A 82 58.268 7.596 -6.039 1.00 0.00 O ATOM 0 H SER A 82 55.383 7.796 -5.743 1.00 0.00 H new ATOM 0 HA SER A 82 57.165 6.173 -4.050 1.00 0.00 H new ATOM 0 HB2 SER A 82 57.317 9.067 -4.925 1.00 0.00 H new ATOM 0 HB3 SER A 82 58.543 8.162 -4.060 1.00 0.00 H new ATOM 0 HG SER A 82 58.953 8.217 -6.363 1.00 0.00 H new ATOM 80 N LEU A 83 56.563 7.319 -1.838 1.00 0.00 N ATOM 81 CA LEU A 83 55.938 7.713 -0.580 1.00 0.00 C ATOM 82 C LEU A 83 56.997 7.846 0.519 1.00 0.00 C ATOM 83 O LEU A 83 58.144 7.384 0.359 1.00 0.00 O ATOM 84 CB LEU A 83 54.903 6.629 -0.154 1.00 0.00 C ATOM 85 CG LEU A 83 53.900 7.004 0.964 1.00 0.00 C ATOM 86 CD1 LEU A 83 52.821 7.944 0.488 1.00 0.00 C ATOM 87 CD2 LEU A 83 53.311 5.790 1.612 1.00 0.00 C ATOM 0 H LEU A 83 57.433 6.796 -1.741 1.00 0.00 H new ATOM 0 HA LEU A 83 55.441 8.673 -0.720 1.00 0.00 H new ATOM 0 HB2 LEU A 83 54.332 6.343 -1.037 1.00 0.00 H new ATOM 0 HB3 LEU A 83 55.454 5.746 0.170 1.00 0.00 H new ATOM 0 HG LEU A 83 54.475 7.540 1.719 1.00 0.00 H new ATOM 0 HD11 LEU A 83 52.147 8.172 1.314 1.00 0.00 H new ATOM 0 HD12 LEU A 83 53.276 8.866 0.125 1.00 0.00 H new ATOM 0 HD13 LEU A 83 52.259 7.474 -0.320 1.00 0.00 H new ATOM 0 HD21 LEU A 83 52.613 6.096 2.391 1.00 0.00 H new ATOM 0 HD22 LEU A 83 52.784 5.198 0.864 1.00 0.00 H new ATOM 0 HD23 LEU A 83 54.107 5.191 2.054 1.00 0.00 H new ATOM 99 N TYR A 84 56.621 8.522 1.580 1.00 0.00 N ATOM 100 CA TYR A 84 57.386 8.597 2.810 1.00 0.00 C ATOM 101 C TYR A 84 57.228 7.323 3.543 1.00 0.00 C ATOM 102 O TYR A 84 56.102 6.961 3.935 1.00 0.00 O ATOM 103 CB TYR A 84 56.889 9.756 3.667 1.00 0.00 C ATOM 104 CG TYR A 84 57.836 10.908 3.722 1.00 0.00 C ATOM 105 CD1 TYR A 84 58.361 11.448 2.572 1.00 0.00 C ATOM 106 CD2 TYR A 84 58.222 11.432 4.933 1.00 0.00 C ATOM 107 CE1 TYR A 84 59.268 12.494 2.629 1.00 0.00 C ATOM 108 CE2 TYR A 84 59.119 12.478 5.014 1.00 0.00 C ATOM 109 CZ TYR A 84 59.646 13.004 3.855 1.00 0.00 C ATOM 110 OH TYR A 84 60.562 14.038 3.921 1.00 0.00 O ATOM 0 H TYR A 84 55.750 9.051 1.615 1.00 0.00 H new ATOM 0 HA TYR A 84 58.438 8.765 2.580 1.00 0.00 H new ATOM 0 HB2 TYR A 84 55.932 10.102 3.276 1.00 0.00 H new ATOM 0 HB3 TYR A 84 56.708 9.396 4.680 1.00 0.00 H new ATOM 0 HD1 TYR A 84 58.063 11.052 1.612 1.00 0.00 H new ATOM 0 HD2 TYR A 84 57.814 11.016 5.842 1.00 0.00 H new ATOM 0 HE1 TYR A 84 59.677 12.908 1.719 1.00 0.00 H new ATOM 0 HE2 TYR A 84 59.404 12.879 5.975 1.00 0.00 H new ATOM 0 HH TYR A 84 60.717 14.279 4.858 1.00 0.00 H new ATOM 120 N GLY A 85 58.345 6.641 3.743 1.00 0.00 N ATOM 121 CA GLY A 85 58.341 5.371 4.367 1.00 0.00 C ATOM 122 C GLY A 85 57.654 5.322 5.645 1.00 0.00 C ATOM 123 O GLY A 85 56.887 4.421 5.891 1.00 0.00 O ATOM 0 H GLY A 85 59.270 6.972 3.469 1.00 0.00 H new ATOM 0 HA2 GLY A 85 57.876 4.652 3.693 1.00 0.00 H new ATOM 0 HA3 GLY A 85 59.373 5.050 4.513 1.00 0.00 H new ATOM 127 N THR A 86 57.930 6.294 6.426 1.00 0.00 N ATOM 128 CA THR A 86 57.407 6.478 7.778 1.00 0.00 C ATOM 129 C THR A 86 55.846 6.254 7.884 1.00 0.00 C ATOM 130 O THR A 86 55.329 6.047 8.976 1.00 0.00 O ATOM 131 CB THR A 86 57.782 7.915 8.258 1.00 0.00 C ATOM 132 OG1 THR A 86 57.319 8.186 9.590 1.00 0.00 O ATOM 133 CG2 THR A 86 57.209 8.934 7.311 1.00 0.00 C ATOM 0 H THR A 86 58.563 7.044 6.148 1.00 0.00 H new ATOM 0 HA THR A 86 57.859 5.720 8.417 1.00 0.00 H new ATOM 0 HB THR A 86 58.870 7.978 8.269 1.00 0.00 H new ATOM 0 HG1 THR A 86 56.613 7.549 9.827 1.00 0.00 H new ATOM 0 HG21 THR A 86 57.474 9.935 7.650 1.00 0.00 H new ATOM 0 HG22 THR A 86 57.614 8.771 6.312 1.00 0.00 H new ATOM 0 HG23 THR A 86 56.124 8.835 7.283 1.00 0.00 H new ATOM 141 N THR A 87 55.115 6.367 6.764 1.00 0.00 N ATOM 142 CA THR A 87 53.684 6.143 6.772 1.00 0.00 C ATOM 143 C THR A 87 53.289 4.707 6.370 1.00 0.00 C ATOM 144 O THR A 87 52.169 4.331 6.543 1.00 0.00 O ATOM 145 CB THR A 87 52.928 7.141 5.867 1.00 0.00 C ATOM 146 OG1 THR A 87 53.406 7.052 4.517 1.00 0.00 O ATOM 147 CG2 THR A 87 53.095 8.557 6.362 1.00 0.00 C ATOM 0 H THR A 87 55.501 6.611 5.852 1.00 0.00 H new ATOM 0 HA THR A 87 53.389 6.302 7.809 1.00 0.00 H new ATOM 0 HB THR A 87 51.870 6.880 5.898 1.00 0.00 H new ATOM 0 HG1 THR A 87 54.378 7.177 4.505 1.00 0.00 H new ATOM 0 HG21 THR A 87 52.553 9.238 5.706 1.00 0.00 H new ATOM 0 HG22 THR A 87 52.700 8.637 7.375 1.00 0.00 H new ATOM 0 HG23 THR A 87 54.153 8.820 6.363 1.00 0.00 H new ATOM 155 N LEU A 88 54.210 3.940 5.811 1.00 0.00 N ATOM 156 CA LEU A 88 53.954 2.574 5.239 1.00 0.00 C ATOM 157 C LEU A 88 53.138 1.597 6.064 1.00 0.00 C ATOM 158 O LEU A 88 52.524 0.683 5.503 1.00 0.00 O ATOM 159 CB LEU A 88 55.237 1.937 4.836 1.00 0.00 C ATOM 160 CG LEU A 88 55.602 2.015 3.382 1.00 0.00 C ATOM 161 CD1 LEU A 88 54.791 1.043 2.616 1.00 0.00 C ATOM 162 CD2 LEU A 88 55.335 3.389 2.847 1.00 0.00 C ATOM 0 H LEU A 88 55.184 4.230 5.727 1.00 0.00 H new ATOM 0 HA LEU A 88 53.309 2.787 4.387 1.00 0.00 H new ATOM 0 HB2 LEU A 88 56.040 2.395 5.413 1.00 0.00 H new ATOM 0 HB3 LEU A 88 55.199 0.886 5.121 1.00 0.00 H new ATOM 0 HG LEU A 88 56.663 1.787 3.279 1.00 0.00 H new ATOM 0 HD11 LEU A 88 55.056 1.100 1.560 1.00 0.00 H new ATOM 0 HD12 LEU A 88 54.985 0.036 2.985 1.00 0.00 H new ATOM 0 HD13 LEU A 88 53.733 1.276 2.737 1.00 0.00 H new ATOM 0 HD21 LEU A 88 55.605 3.427 1.792 1.00 0.00 H new ATOM 0 HD22 LEU A 88 54.277 3.624 2.959 1.00 0.00 H new ATOM 0 HD23 LEU A 88 55.929 4.117 3.400 1.00 0.00 H new ATOM 174 N GLU A 89 53.110 1.761 7.346 1.00 0.00 N ATOM 175 CA GLU A 89 52.293 0.905 8.208 1.00 0.00 C ATOM 176 C GLU A 89 50.783 1.186 7.953 1.00 0.00 C ATOM 177 O GLU A 89 49.909 0.500 8.444 1.00 0.00 O ATOM 178 CB GLU A 89 52.627 1.114 9.693 1.00 0.00 C ATOM 179 CG GLU A 89 54.121 1.094 10.046 1.00 0.00 C ATOM 180 CD GLU A 89 54.773 2.417 9.754 1.00 0.00 C ATOM 181 OE1 GLU A 89 54.608 3.360 10.563 1.00 0.00 O ATOM 182 OE2 GLU A 89 55.413 2.555 8.714 1.00 0.00 O ATOM 0 H GLU A 89 53.639 2.478 7.842 1.00 0.00 H new ATOM 0 HA GLU A 89 52.517 -0.133 7.962 1.00 0.00 H new ATOM 0 HB2 GLU A 89 52.210 2.070 10.010 1.00 0.00 H new ATOM 0 HB3 GLU A 89 52.125 0.339 10.272 1.00 0.00 H new ATOM 0 HG2 GLU A 89 54.243 0.852 11.102 1.00 0.00 H new ATOM 0 HG3 GLU A 89 54.620 0.308 9.479 1.00 0.00 H new ATOM 189 N GLN A 90 50.539 2.230 7.211 1.00 0.00 N ATOM 190 CA GLN A 90 49.229 2.682 6.771 1.00 0.00 C ATOM 191 C GLN A 90 48.890 2.175 5.375 1.00 0.00 C ATOM 192 O GLN A 90 47.735 2.151 4.981 1.00 0.00 O ATOM 193 CB GLN A 90 49.281 4.224 6.825 1.00 0.00 C ATOM 194 CG GLN A 90 48.542 5.064 5.758 1.00 0.00 C ATOM 195 CD GLN A 90 49.296 5.258 4.420 1.00 0.00 C ATOM 196 OE1 GLN A 90 48.678 5.394 3.378 1.00 0.00 O ATOM 197 NE2 GLN A 90 50.617 5.298 4.443 1.00 0.00 N ATOM 0 H GLN A 90 51.289 2.832 6.871 1.00 0.00 H new ATOM 0 HA GLN A 90 48.440 2.289 7.412 1.00 0.00 H new ATOM 0 HB2 GLN A 90 48.896 4.527 7.799 1.00 0.00 H new ATOM 0 HB3 GLN A 90 50.331 4.513 6.794 1.00 0.00 H new ATOM 0 HG2 GLN A 90 47.583 4.590 5.549 1.00 0.00 H new ATOM 0 HG3 GLN A 90 48.327 6.046 6.179 1.00 0.00 H new ATOM 0 HE21 GLN A 90 51.115 5.182 5.325 1.00 0.00 H new ATOM 0 HE22 GLN A 90 51.138 5.445 3.578 1.00 0.00 H new ATOM 206 N GLN A 91 49.881 1.745 4.665 1.00 0.00 N ATOM 207 CA GLN A 91 49.710 1.492 3.243 1.00 0.00 C ATOM 208 C GLN A 91 49.298 0.054 2.823 1.00 0.00 C ATOM 209 O GLN A 91 48.234 -0.142 2.241 1.00 0.00 O ATOM 210 CB GLN A 91 50.953 1.919 2.486 1.00 0.00 C ATOM 211 CG GLN A 91 50.704 2.115 1.013 1.00 0.00 C ATOM 212 CD GLN A 91 49.618 3.145 0.787 1.00 0.00 C ATOM 213 OE1 GLN A 91 48.427 2.818 0.680 1.00 0.00 O ATOM 214 NE2 GLN A 91 50.008 4.393 0.741 1.00 0.00 N ATOM 0 H GLN A 91 50.816 1.558 5.028 1.00 0.00 H new ATOM 0 HA GLN A 91 48.844 2.098 2.975 1.00 0.00 H new ATOM 0 HB2 GLN A 91 51.331 2.848 2.912 1.00 0.00 H new ATOM 0 HB3 GLN A 91 51.731 1.167 2.621 1.00 0.00 H new ATOM 0 HG2 GLN A 91 51.624 2.435 0.523 1.00 0.00 H new ATOM 0 HG3 GLN A 91 50.414 1.168 0.559 1.00 0.00 H new ATOM 0 HE21 GLN A 91 50.998 4.622 0.833 1.00 0.00 H new ATOM 0 HE22 GLN A 91 49.322 5.137 0.613 1.00 0.00 H new ATOM 223 N TYR A 92 50.122 -0.923 3.109 1.00 0.00 N ATOM 224 CA TYR A 92 49.954 -2.268 2.521 1.00 0.00 C ATOM 225 C TYR A 92 49.089 -3.211 3.295 1.00 0.00 C ATOM 226 O TYR A 92 48.872 -4.327 2.837 1.00 0.00 O ATOM 227 CB TYR A 92 51.283 -2.953 2.399 1.00 0.00 C ATOM 228 CG TYR A 92 52.113 -2.502 1.272 1.00 0.00 C ATOM 229 CD1 TYR A 92 52.809 -1.344 1.360 1.00 0.00 C ATOM 230 CD2 TYR A 92 52.224 -3.250 0.112 1.00 0.00 C ATOM 231 CE1 TYR A 92 53.594 -0.920 0.346 1.00 0.00 C ATOM 232 CE2 TYR A 92 53.023 -2.832 -0.895 1.00 0.00 C ATOM 233 CZ TYR A 92 53.711 -1.655 -0.764 1.00 0.00 C ATOM 234 OH TYR A 92 54.529 -1.230 -1.750 1.00 0.00 O ATOM 0 H TYR A 92 50.918 -0.833 3.740 1.00 0.00 H new ATOM 0 HA TYR A 92 49.471 -2.065 1.565 1.00 0.00 H new ATOM 0 HB2 TYR A 92 51.839 -2.801 3.324 1.00 0.00 H new ATOM 0 HB3 TYR A 92 51.115 -4.025 2.300 1.00 0.00 H new ATOM 0 HD1 TYR A 92 52.735 -0.748 2.258 1.00 0.00 H new ATOM 0 HD2 TYR A 92 51.670 -4.171 0.011 1.00 0.00 H new ATOM 0 HE1 TYR A 92 54.128 0.015 0.432 1.00 0.00 H new ATOM 0 HE2 TYR A 92 53.118 -3.421 -1.795 1.00 0.00 H new ATOM 0 HH TYR A 92 54.558 -1.902 -2.463 1.00 0.00 H new ATOM 244 N ASN A 93 48.674 -2.806 4.482 1.00 0.00 N ATOM 245 CA ASN A 93 47.958 -3.694 5.474 1.00 0.00 C ATOM 246 C ASN A 93 48.998 -4.597 6.101 1.00 0.00 C ATOM 247 O ASN A 93 48.703 -5.519 6.861 1.00 0.00 O ATOM 248 CB ASN A 93 46.864 -4.589 4.842 1.00 0.00 C ATOM 249 CG ASN A 93 45.691 -3.842 4.196 1.00 0.00 C ATOM 250 OD1 ASN A 93 45.097 -4.313 3.217 1.00 0.00 O ATOM 251 ND2 ASN A 93 45.335 -2.708 4.724 1.00 0.00 N ATOM 0 H ASN A 93 48.809 -1.852 4.818 1.00 0.00 H new ATOM 0 HA ASN A 93 47.456 -3.045 6.192 1.00 0.00 H new ATOM 0 HB2 ASN A 93 47.329 -5.222 4.086 1.00 0.00 H new ATOM 0 HB3 ASN A 93 46.470 -5.250 5.614 1.00 0.00 H new ATOM 0 HD21 ASN A 93 44.551 -2.187 4.332 1.00 0.00 H new ATOM 0 HD22 ASN A 93 45.840 -2.340 5.530 1.00 0.00 H new ATOM 258 N LYS A 94 50.212 -4.305 5.755 1.00 0.00 N ATOM 259 CA LYS A 94 51.359 -4.995 6.132 1.00 0.00 C ATOM 260 C LYS A 94 52.495 -3.982 6.140 1.00 0.00 C ATOM 261 O LYS A 94 52.801 -3.379 5.110 1.00 0.00 O ATOM 262 CB LYS A 94 51.646 -6.114 5.130 1.00 0.00 C ATOM 263 CG LYS A 94 52.938 -6.791 5.409 1.00 0.00 C ATOM 264 CD LYS A 94 53.141 -8.073 4.627 1.00 0.00 C ATOM 265 CE LYS A 94 53.308 -7.855 3.161 1.00 0.00 C ATOM 266 NZ LYS A 94 53.357 -9.119 2.408 1.00 0.00 N ATOM 0 H LYS A 94 50.420 -3.509 5.152 1.00 0.00 H new ATOM 0 HA LYS A 94 51.243 -5.453 7.114 1.00 0.00 H new ATOM 0 HB2 LYS A 94 50.839 -6.846 5.162 1.00 0.00 H new ATOM 0 HB3 LYS A 94 51.663 -5.702 4.121 1.00 0.00 H new ATOM 0 HG2 LYS A 94 53.753 -6.105 5.180 1.00 0.00 H new ATOM 0 HG3 LYS A 94 52.998 -7.014 6.474 1.00 0.00 H new ATOM 0 HD2 LYS A 94 54.021 -8.589 5.012 1.00 0.00 H new ATOM 0 HD3 LYS A 94 52.287 -8.730 4.794 1.00 0.00 H new ATOM 0 HE2 LYS A 94 52.483 -7.246 2.791 1.00 0.00 H new ATOM 0 HE3 LYS A 94 54.225 -7.293 2.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 53.474 -8.915 1.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 54.160 -9.691 2.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 52.472 -9.645 2.555 1.00 0.00 H new ATOM 280 N PRO A 95 53.103 -3.752 7.279 1.00 0.00 N ATOM 281 CA PRO A 95 54.148 -2.766 7.407 1.00 0.00 C ATOM 282 C PRO A 95 55.490 -3.304 6.947 1.00 0.00 C ATOM 283 O PRO A 95 55.625 -4.481 6.632 1.00 0.00 O ATOM 284 CB PRO A 95 54.181 -2.500 8.909 1.00 0.00 C ATOM 285 CG PRO A 95 53.785 -3.802 9.521 1.00 0.00 C ATOM 286 CD PRO A 95 52.842 -4.457 8.541 1.00 0.00 C ATOM 0 HA PRO A 95 53.962 -1.880 6.800 1.00 0.00 H new ATOM 0 HB2 PRO A 95 55.174 -2.192 9.237 1.00 0.00 H new ATOM 0 HB3 PRO A 95 53.491 -1.703 9.187 1.00 0.00 H new ATOM 0 HG2 PRO A 95 54.658 -4.430 9.700 1.00 0.00 H new ATOM 0 HG3 PRO A 95 53.300 -3.648 10.485 1.00 0.00 H new ATOM 0 HD2 PRO A 95 53.038 -5.525 8.450 1.00 0.00 H new ATOM 0 HD3 PRO A 95 51.803 -4.349 8.852 1.00 0.00 H new ATOM 294 N LEU A 96 56.479 -2.441 6.965 1.00 0.00 N ATOM 295 CA LEU A 96 57.867 -2.751 6.624 1.00 0.00 C ATOM 296 C LEU A 96 58.369 -3.931 7.408 1.00 0.00 C ATOM 297 O LEU A 96 59.089 -4.736 6.890 1.00 0.00 O ATOM 298 CB LEU A 96 58.710 -1.545 6.941 1.00 0.00 C ATOM 299 CG LEU A 96 58.474 -0.356 6.055 1.00 0.00 C ATOM 300 CD1 LEU A 96 57.554 0.582 6.687 1.00 0.00 C ATOM 301 CD2 LEU A 96 59.747 0.301 5.673 1.00 0.00 C ATOM 0 H LEU A 96 56.344 -1.464 7.226 1.00 0.00 H new ATOM 0 HA LEU A 96 57.927 -3.001 5.565 1.00 0.00 H new ATOM 0 HB2 LEU A 96 58.524 -1.252 7.974 1.00 0.00 H new ATOM 0 HB3 LEU A 96 59.761 -1.827 6.873 1.00 0.00 H new ATOM 0 HG LEU A 96 58.011 -0.710 5.134 1.00 0.00 H new ATOM 0 HD11 LEU A 96 57.396 1.436 6.029 1.00 0.00 H new ATOM 0 HD12 LEU A 96 56.601 0.087 6.874 1.00 0.00 H new ATOM 0 HD13 LEU A 96 57.976 0.925 7.632 1.00 0.00 H new ATOM 0 HD21 LEU A 96 59.537 1.157 5.032 1.00 0.00 H new ATOM 0 HD22 LEU A 96 60.266 0.638 6.570 1.00 0.00 H new ATOM 0 HD23 LEU A 96 60.376 -0.409 5.136 1.00 0.00 H new ATOM 313 N SER A 97 57.916 -4.064 8.628 1.00 0.00 N ATOM 314 CA SER A 97 58.309 -5.137 9.509 1.00 0.00 C ATOM 315 C SER A 97 57.966 -6.513 8.909 1.00 0.00 C ATOM 316 O SER A 97 58.596 -7.514 9.237 1.00 0.00 O ATOM 317 CB SER A 97 57.562 -4.942 10.810 1.00 0.00 C ATOM 318 OG SER A 97 57.603 -3.569 11.172 1.00 0.00 O ATOM 0 H SER A 97 57.249 -3.416 9.047 1.00 0.00 H new ATOM 0 HA SER A 97 59.388 -5.114 9.662 1.00 0.00 H new ATOM 0 HB2 SER A 97 56.528 -5.271 10.702 1.00 0.00 H new ATOM 0 HB3 SER A 97 58.010 -5.551 11.595 1.00 0.00 H new ATOM 0 HG SER A 97 57.119 -3.438 12.014 1.00 0.00 H new ATOM 324 N ASP A 98 56.993 -6.546 8.017 1.00 0.00 N ATOM 325 CA ASP A 98 56.557 -7.793 7.447 1.00 0.00 C ATOM 326 C ASP A 98 56.681 -7.789 5.947 1.00 0.00 C ATOM 327 O ASP A 98 56.765 -8.844 5.321 1.00 0.00 O ATOM 328 CB ASP A 98 55.133 -8.034 7.827 1.00 0.00 C ATOM 329 CG ASP A 98 54.743 -9.494 7.778 1.00 0.00 C ATOM 330 OD1 ASP A 98 54.533 -10.053 6.679 1.00 0.00 O ATOM 331 OD2 ASP A 98 54.645 -10.115 8.858 1.00 0.00 O ATOM 0 H ASP A 98 56.495 -5.723 7.677 1.00 0.00 H new ATOM 0 HA ASP A 98 57.194 -8.587 7.835 1.00 0.00 H new ATOM 0 HB2 ASP A 98 54.963 -7.653 8.834 1.00 0.00 H new ATOM 0 HB3 ASP A 98 54.484 -7.469 7.158 1.00 0.00 H new ATOM 336 N LEU A 99 56.761 -6.623 5.362 1.00 0.00 N ATOM 337 CA LEU A 99 56.716 -6.526 3.943 1.00 0.00 C ATOM 338 C LEU A 99 58.092 -6.799 3.370 1.00 0.00 C ATOM 339 O LEU A 99 59.103 -6.325 3.936 1.00 0.00 O ATOM 340 CB LEU A 99 56.251 -5.124 3.562 1.00 0.00 C ATOM 341 CG LEU A 99 56.175 -4.788 2.069 1.00 0.00 C ATOM 342 CD1 LEU A 99 54.984 -5.452 1.436 1.00 0.00 C ATOM 343 CD2 LEU A 99 56.148 -3.296 1.848 1.00 0.00 C ATOM 0 H LEU A 99 56.857 -5.734 5.853 1.00 0.00 H new ATOM 0 HA LEU A 99 56.020 -7.261 3.538 1.00 0.00 H new ATOM 0 HB2 LEU A 99 55.262 -4.968 3.993 1.00 0.00 H new ATOM 0 HB3 LEU A 99 56.921 -4.407 4.035 1.00 0.00 H new ATOM 0 HG LEU A 99 57.073 -5.176 1.588 1.00 0.00 H new ATOM 0 HD11 LEU A 99 54.948 -5.201 0.376 1.00 0.00 H new ATOM 0 HD12 LEU A 99 55.067 -6.533 1.550 1.00 0.00 H new ATOM 0 HD13 LEU A 99 54.073 -5.104 1.922 1.00 0.00 H new ATOM 0 HD21 LEU A 99 56.094 -3.087 0.780 1.00 0.00 H new ATOM 0 HD22 LEU A 99 55.277 -2.870 2.345 1.00 0.00 H new ATOM 0 HD23 LEU A 99 57.054 -2.851 2.259 1.00 0.00 H new ATOM 355 N LEU A 100 58.166 -7.596 2.310 1.00 0.00 N ATOM 356 CA LEU A 100 59.423 -7.794 1.660 1.00 0.00 C ATOM 357 C LEU A 100 59.696 -6.517 0.937 1.00 0.00 C ATOM 358 O LEU A 100 58.899 -6.034 0.134 1.00 0.00 O ATOM 359 CB LEU A 100 59.432 -8.961 0.698 1.00 0.00 C ATOM 360 CG LEU A 100 60.815 -9.691 0.482 1.00 0.00 C ATOM 361 CD1 LEU A 100 60.723 -10.709 -0.612 1.00 0.00 C ATOM 362 CD2 LEU A 100 61.950 -8.739 0.158 1.00 0.00 C ATOM 0 H LEU A 100 57.379 -8.099 1.901 1.00 0.00 H new ATOM 0 HA LEU A 100 60.188 -8.040 2.397 1.00 0.00 H new ATOM 0 HB2 LEU A 100 58.710 -9.698 1.050 1.00 0.00 H new ATOM 0 HB3 LEU A 100 59.079 -8.606 -0.271 1.00 0.00 H new ATOM 0 HG LEU A 100 61.038 -10.174 1.433 1.00 0.00 H new ATOM 0 HD11 LEU A 100 61.690 -11.196 -0.738 1.00 0.00 H new ATOM 0 HD12 LEU A 100 59.972 -11.455 -0.352 1.00 0.00 H new ATOM 0 HD13 LEU A 100 60.440 -10.218 -1.543 1.00 0.00 H new ATOM 0 HD21 LEU A 100 62.872 -9.305 0.022 1.00 0.00 H new ATOM 0 HD22 LEU A 100 61.719 -8.196 -0.758 1.00 0.00 H new ATOM 0 HD23 LEU A 100 62.077 -8.031 0.977 1.00 0.00 H new ATOM 374 N ILE A 101 60.773 -5.977 1.237 1.00 0.00 N ATOM 375 CA ILE A 101 61.108 -4.697 0.842 1.00 0.00 C ATOM 376 C ILE A 101 62.536 -4.714 0.356 1.00 0.00 C ATOM 377 O ILE A 101 63.357 -5.387 0.947 1.00 0.00 O ATOM 378 CB ILE A 101 60.912 -3.860 2.094 1.00 0.00 C ATOM 379 CG1 ILE A 101 59.671 -3.014 1.938 1.00 0.00 C ATOM 380 CG2 ILE A 101 62.139 -3.032 2.448 1.00 0.00 C ATOM 381 CD1 ILE A 101 59.155 -2.378 3.151 1.00 0.00 C ATOM 0 H ILE A 101 61.492 -6.436 1.797 1.00 0.00 H new ATOM 0 HA ILE A 101 60.511 -4.295 0.023 1.00 0.00 H new ATOM 0 HB ILE A 101 60.774 -4.533 2.940 1.00 0.00 H new ATOM 0 HG12 ILE A 101 59.881 -2.233 1.207 1.00 0.00 H new ATOM 0 HG13 ILE A 101 58.883 -3.640 1.519 1.00 0.00 H new ATOM 0 HG21 ILE A 101 61.940 -2.455 3.351 1.00 0.00 H new ATOM 0 HG22 ILE A 101 62.988 -3.694 2.620 1.00 0.00 H new ATOM 0 HG23 ILE A 101 62.369 -2.353 1.627 1.00 0.00 H new ATOM 0 HD11 ILE A 101 58.264 -1.800 2.908 1.00 0.00 H new ATOM 0 HD12 ILE A 101 58.902 -3.144 3.884 1.00 0.00 H new ATOM 0 HD13 ILE A 101 59.915 -1.716 3.566 1.00 0.00 H new ATOM 393 N ARG A 102 62.843 -4.022 -0.720 1.00 0.00 N ATOM 394 CA ARG A 102 64.186 -4.112 -1.284 1.00 0.00 C ATOM 395 C ARG A 102 64.689 -2.803 -1.766 1.00 0.00 C ATOM 396 O ARG A 102 63.926 -1.912 -2.008 1.00 0.00 O ATOM 397 CB ARG A 102 64.227 -5.107 -2.438 1.00 0.00 C ATOM 398 CG ARG A 102 63.889 -6.513 -2.065 1.00 0.00 C ATOM 399 CD ARG A 102 63.749 -7.402 -3.249 1.00 0.00 C ATOM 400 NE ARG A 102 63.544 -8.774 -2.842 1.00 0.00 N ATOM 401 CZ ARG A 102 64.250 -9.816 -3.313 1.00 0.00 C ATOM 402 NH1 ARG A 102 65.361 -9.604 -4.019 1.00 0.00 N ATOM 403 NH2 ARG A 102 63.888 -11.058 -3.017 1.00 0.00 N ATOM 0 H ARG A 102 62.203 -3.403 -1.217 1.00 0.00 H new ATOM 0 HA ARG A 102 64.831 -4.452 -0.474 1.00 0.00 H new ATOM 0 HB2 ARG A 102 63.534 -4.774 -3.211 1.00 0.00 H new ATOM 0 HB3 ARG A 102 65.225 -5.092 -2.877 1.00 0.00 H new ATOM 0 HG2 ARG A 102 64.665 -6.907 -1.409 1.00 0.00 H new ATOM 0 HG3 ARG A 102 62.958 -6.521 -1.498 1.00 0.00 H new ATOM 0 HD2 ARG A 102 62.910 -7.071 -3.861 1.00 0.00 H new ATOM 0 HD3 ARG A 102 64.643 -7.332 -3.869 1.00 0.00 H new ATOM 0 HE ARG A 102 62.816 -8.963 -2.153 1.00 0.00 H new ATOM 0 HH11 ARG A 102 65.675 -8.651 -4.202 1.00 0.00 H new ATOM 0 HH12 ARG A 102 65.897 -10.395 -4.376 1.00 0.00 H new ATOM 0 HH21 ARG A 102 63.071 -11.225 -2.430 1.00 0.00 H new ATOM 0 HH22 ARG A 102 64.427 -11.846 -3.377 1.00 0.00 H new ATOM 417 N CYS A 103 66.004 -2.699 -1.864 1.00 0.00 N ATOM 418 CA CYS A 103 66.654 -1.588 -2.414 1.00 0.00 C ATOM 419 C CYS A 103 66.142 -1.313 -3.869 1.00 0.00 C ATOM 420 O CYS A 103 65.699 -2.229 -4.565 1.00 0.00 O ATOM 421 CB CYS A 103 68.118 -1.861 -2.448 1.00 0.00 C ATOM 422 SG CYS A 103 69.069 -0.359 -2.178 1.00 0.00 S ATOM 0 H CYS A 103 66.643 -3.426 -1.543 1.00 0.00 H new ATOM 0 HA CYS A 103 66.444 -0.710 -1.802 1.00 0.00 H new ATOM 0 HB2 CYS A 103 68.371 -2.596 -1.684 1.00 0.00 H new ATOM 0 HB3 CYS A 103 68.387 -2.296 -3.411 1.00 0.00 H new ATOM 427 N ILE A 104 66.220 -0.090 -4.306 1.00 0.00 N ATOM 428 CA ILE A 104 65.711 0.310 -5.607 1.00 0.00 C ATOM 429 C ILE A 104 66.734 0.121 -6.683 1.00 0.00 C ATOM 430 O ILE A 104 66.461 -0.301 -7.796 1.00 0.00 O ATOM 431 CB ILE A 104 65.161 1.784 -5.563 1.00 0.00 C ATOM 432 CG1 ILE A 104 64.212 1.998 -6.694 1.00 0.00 C ATOM 433 CG2 ILE A 104 66.256 2.796 -5.662 1.00 0.00 C ATOM 434 CD1 ILE A 104 63.286 3.106 -6.437 1.00 0.00 C ATOM 0 H ILE A 104 66.640 0.672 -3.773 1.00 0.00 H new ATOM 0 HA ILE A 104 64.875 -0.343 -5.857 1.00 0.00 H new ATOM 0 HB ILE A 104 64.659 1.914 -4.604 1.00 0.00 H new ATOM 0 HG12 ILE A 104 64.775 2.201 -7.605 1.00 0.00 H new ATOM 0 HG13 ILE A 104 63.644 1.084 -6.867 1.00 0.00 H new ATOM 0 HG21 ILE A 104 65.829 3.798 -5.627 1.00 0.00 H new ATOM 0 HG22 ILE A 104 66.947 2.667 -4.829 1.00 0.00 H new ATOM 0 HG23 ILE A 104 66.792 2.662 -6.602 1.00 0.00 H new ATOM 0 HD11 ILE A 104 62.615 3.224 -7.288 1.00 0.00 H new ATOM 0 HD12 ILE A 104 62.703 2.892 -5.541 1.00 0.00 H new ATOM 0 HD13 ILE A 104 63.851 4.026 -6.291 1.00 0.00 H new ATOM 446 N ASN A 105 67.900 0.344 -6.276 1.00 0.00 N ATOM 447 CA ASN A 105 69.074 0.349 -7.076 1.00 0.00 C ATOM 448 C ASN A 105 69.854 -0.912 -6.891 1.00 0.00 C ATOM 449 O ASN A 105 70.687 -1.261 -7.736 1.00 0.00 O ATOM 450 CB ASN A 105 69.915 1.610 -6.749 1.00 0.00 C ATOM 451 CG ASN A 105 69.637 2.165 -5.423 1.00 0.00 C ATOM 452 OD1 ASN A 105 69.517 3.379 -5.237 1.00 0.00 O ATOM 453 ND2 ASN A 105 69.629 1.305 -4.484 1.00 0.00 N ATOM 0 H ASN A 105 68.097 0.547 -5.296 1.00 0.00 H new ATOM 0 HA ASN A 105 68.795 0.389 -8.129 1.00 0.00 H new ATOM 0 HB2 ASN A 105 70.974 1.359 -6.815 1.00 0.00 H new ATOM 0 HB3 ASN A 105 69.720 2.373 -7.503 1.00 0.00 H new ATOM 0 HD21 ASN A 105 69.519 1.608 -3.516 1.00 0.00 H new ATOM 0 HD22 ASN A 105 69.733 0.313 -4.700 1.00 0.00 H new ATOM 460 N CYS A 106 69.619 -1.628 -5.794 1.00 0.00 N ATOM 461 CA CYS A 106 70.288 -2.882 -5.709 1.00 0.00 C ATOM 462 C CYS A 106 69.362 -4.097 -5.615 1.00 0.00 C ATOM 463 O CYS A 106 69.819 -5.229 -5.747 1.00 0.00 O ATOM 464 CB CYS A 106 71.521 -2.953 -4.766 1.00 0.00 C ATOM 465 SG CYS A 106 71.231 -3.026 -2.963 1.00 0.00 S ATOM 0 H CYS A 106 69.013 -1.371 -5.015 1.00 0.00 H new ATOM 0 HA CYS A 106 70.745 -2.949 -6.697 1.00 0.00 H new ATOM 0 HB2 CYS A 106 72.102 -3.832 -5.045 1.00 0.00 H new ATOM 0 HB3 CYS A 106 72.144 -2.082 -4.967 1.00 0.00 H new ATOM 470 N GLN A 107 68.058 -3.863 -5.379 1.00 0.00 N ATOM 471 CA GLN A 107 67.053 -4.918 -5.331 1.00 0.00 C ATOM 472 C GLN A 107 67.256 -5.921 -4.210 1.00 0.00 C ATOM 473 O GLN A 107 66.631 -6.985 -4.166 1.00 0.00 O ATOM 474 CB GLN A 107 66.920 -5.579 -6.646 1.00 0.00 C ATOM 475 CG GLN A 107 66.189 -4.722 -7.628 1.00 0.00 C ATOM 476 CD GLN A 107 67.074 -4.182 -8.738 1.00 0.00 C ATOM 477 OE1 GLN A 107 67.277 -4.830 -9.761 1.00 0.00 O ATOM 478 NE2 GLN A 107 67.535 -2.967 -8.582 1.00 0.00 N ATOM 0 H GLN A 107 67.680 -2.930 -5.217 1.00 0.00 H new ATOM 0 HA GLN A 107 66.111 -4.424 -5.094 1.00 0.00 H new ATOM 0 HB2 GLN A 107 67.910 -5.814 -7.036 1.00 0.00 H new ATOM 0 HB3 GLN A 107 66.392 -6.525 -6.525 1.00 0.00 H new ATOM 0 HG2 GLN A 107 65.378 -5.301 -8.070 1.00 0.00 H new ATOM 0 HG3 GLN A 107 65.732 -3.886 -7.099 1.00 0.00 H new ATOM 0 HE21 GLN A 107 67.347 -2.457 -7.719 1.00 0.00 H new ATOM 0 HE22 GLN A 107 68.082 -2.530 -9.324 1.00 0.00 H new ATOM 487 N LYS A 108 68.096 -5.546 -3.308 1.00 0.00 N ATOM 488 CA LYS A 108 68.400 -6.278 -2.128 1.00 0.00 C ATOM 489 C LYS A 108 67.383 -5.971 -1.085 1.00 0.00 C ATOM 490 O LYS A 108 67.109 -4.828 -0.832 1.00 0.00 O ATOM 491 CB LYS A 108 69.691 -5.772 -1.634 1.00 0.00 C ATOM 492 CG LYS A 108 70.053 -6.294 -0.299 1.00 0.00 C ATOM 493 CD LYS A 108 71.007 -5.391 0.369 1.00 0.00 C ATOM 494 CE LYS A 108 70.302 -4.217 0.992 1.00 0.00 C ATOM 495 NZ LYS A 108 71.283 -3.397 1.692 1.00 0.00 N ATOM 0 H LYS A 108 68.618 -4.672 -3.378 1.00 0.00 H new ATOM 0 HA LYS A 108 68.420 -7.348 -2.335 1.00 0.00 H new ATOM 0 HB2 LYS A 108 70.473 -6.038 -2.345 1.00 0.00 H new ATOM 0 HB3 LYS A 108 69.655 -4.683 -1.593 1.00 0.00 H new ATOM 0 HG2 LYS A 108 69.156 -6.401 0.311 1.00 0.00 H new ATOM 0 HG3 LYS A 108 70.492 -7.287 -0.397 1.00 0.00 H new ATOM 0 HD2 LYS A 108 71.554 -5.939 1.136 1.00 0.00 H new ATOM 0 HD3 LYS A 108 71.742 -5.036 -0.353 1.00 0.00 H new ATOM 0 HE2 LYS A 108 69.797 -3.629 0.225 1.00 0.00 H new ATOM 0 HE3 LYS A 108 69.535 -4.562 1.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 70.841 -2.966 2.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 72.083 -3.991 1.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 71.626 -2.648 1.057 1.00 0.00 H new ATOM 509 N PRO A 109 66.832 -6.966 -0.465 1.00 0.00 N ATOM 510 CA PRO A 109 65.874 -6.765 0.583 1.00 0.00 C ATOM 511 C PRO A 109 66.470 -6.044 1.811 1.00 0.00 C ATOM 512 O PRO A 109 67.452 -6.490 2.402 1.00 0.00 O ATOM 513 CB PRO A 109 65.361 -8.148 0.922 1.00 0.00 C ATOM 514 CG PRO A 109 66.080 -9.109 0.021 1.00 0.00 C ATOM 515 CD PRO A 109 67.096 -8.368 -0.751 1.00 0.00 C ATOM 0 HA PRO A 109 65.070 -6.105 0.258 1.00 0.00 H new ATOM 0 HB2 PRO A 109 65.550 -8.385 1.969 1.00 0.00 H new ATOM 0 HB3 PRO A 109 64.283 -8.209 0.771 1.00 0.00 H new ATOM 0 HG2 PRO A 109 66.553 -9.896 0.609 1.00 0.00 H new ATOM 0 HG3 PRO A 109 65.374 -9.595 -0.653 1.00 0.00 H new ATOM 0 HD2 PRO A 109 68.105 -8.650 -0.450 1.00 0.00 H new ATOM 0 HD3 PRO A 109 67.012 -8.577 -1.818 1.00 0.00 H new ATOM 523 N LEU A 110 65.860 -4.931 2.155 1.00 0.00 N ATOM 524 CA LEU A 110 66.299 -4.058 3.234 1.00 0.00 C ATOM 525 C LEU A 110 65.694 -4.518 4.488 1.00 0.00 C ATOM 526 O LEU A 110 64.494 -4.828 4.547 1.00 0.00 O ATOM 527 CB LEU A 110 65.882 -2.618 2.945 1.00 0.00 C ATOM 528 CG LEU A 110 66.111 -2.115 1.541 1.00 0.00 C ATOM 529 CD1 LEU A 110 65.868 -0.632 1.483 1.00 0.00 C ATOM 530 CD2 LEU A 110 67.501 -2.425 1.124 1.00 0.00 C ATOM 0 H LEU A 110 65.021 -4.595 1.682 1.00 0.00 H new ATOM 0 HA LEU A 110 67.385 -4.091 3.317 1.00 0.00 H new ATOM 0 HB2 LEU A 110 64.821 -2.519 3.173 1.00 0.00 H new ATOM 0 HB3 LEU A 110 66.418 -1.964 3.632 1.00 0.00 H new ATOM 0 HG LEU A 110 65.417 -2.609 0.861 1.00 0.00 H new ATOM 0 HD11 LEU A 110 66.035 -0.275 0.467 1.00 0.00 H new ATOM 0 HD12 LEU A 110 64.840 -0.420 1.778 1.00 0.00 H new ATOM 0 HD13 LEU A 110 66.552 -0.124 2.163 1.00 0.00 H new ATOM 0 HD21 LEU A 110 67.666 -2.062 0.110 1.00 0.00 H new ATOM 0 HD22 LEU A 110 68.202 -1.938 1.803 1.00 0.00 H new ATOM 0 HD23 LEU A 110 67.658 -3.503 1.153 1.00 0.00 H new ATOM 542 N SER A 111 66.500 -4.595 5.473 1.00 0.00 N ATOM 543 CA SER A 111 66.091 -5.052 6.753 1.00 0.00 C ATOM 544 C SER A 111 65.608 -3.821 7.558 1.00 0.00 C ATOM 545 O SER A 111 65.662 -2.698 7.013 1.00 0.00 O ATOM 546 CB SER A 111 67.286 -5.778 7.378 1.00 0.00 C ATOM 547 OG SER A 111 67.727 -6.821 6.519 1.00 0.00 O ATOM 0 H SER A 111 67.486 -4.338 5.418 1.00 0.00 H new ATOM 0 HA SER A 111 65.261 -5.758 6.724 1.00 0.00 H new ATOM 0 HB2 SER A 111 68.099 -5.073 7.554 1.00 0.00 H new ATOM 0 HB3 SER A 111 67.005 -6.189 8.348 1.00 0.00 H new ATOM 0 HG SER A 111 68.492 -7.278 6.926 1.00 0.00 H new ATOM 553 N PRO A 112 65.091 -3.972 8.827 1.00 0.00 N ATOM 554 CA PRO A 112 64.607 -2.824 9.644 1.00 0.00 C ATOM 555 C PRO A 112 65.608 -1.665 9.678 1.00 0.00 C ATOM 556 O PRO A 112 65.225 -0.520 9.750 1.00 0.00 O ATOM 557 CB PRO A 112 64.435 -3.430 11.031 1.00 0.00 C ATOM 558 CG PRO A 112 64.099 -4.854 10.768 1.00 0.00 C ATOM 559 CD PRO A 112 64.908 -5.254 9.565 1.00 0.00 C ATOM 0 HA PRO A 112 63.693 -2.389 9.238 1.00 0.00 H new ATOM 0 HB2 PRO A 112 65.347 -3.338 11.621 1.00 0.00 H new ATOM 0 HB3 PRO A 112 63.643 -2.930 11.588 1.00 0.00 H new ATOM 0 HG2 PRO A 112 64.343 -5.478 11.628 1.00 0.00 H new ATOM 0 HG3 PRO A 112 63.032 -4.975 10.579 1.00 0.00 H new ATOM 0 HD2 PRO A 112 65.864 -5.692 9.852 1.00 0.00 H new ATOM 0 HD3 PRO A 112 64.387 -5.995 8.959 1.00 0.00 H new ATOM 567 N GLU A 113 66.875 -2.001 9.576 1.00 0.00 N ATOM 568 CA GLU A 113 67.973 -1.047 9.503 1.00 0.00 C ATOM 569 C GLU A 113 67.796 -0.014 8.370 1.00 0.00 C ATOM 570 O GLU A 113 67.895 1.195 8.593 1.00 0.00 O ATOM 571 CB GLU A 113 69.291 -1.816 9.337 1.00 0.00 C ATOM 572 CG GLU A 113 69.255 -2.898 8.246 1.00 0.00 C ATOM 573 CD GLU A 113 70.497 -3.735 8.244 1.00 0.00 C ATOM 574 OE1 GLU A 113 71.499 -3.349 7.628 1.00 0.00 O ATOM 575 OE2 GLU A 113 70.501 -4.787 8.915 1.00 0.00 O ATOM 0 H GLU A 113 67.185 -2.972 9.540 1.00 0.00 H new ATOM 0 HA GLU A 113 67.985 -0.476 10.432 1.00 0.00 H new ATOM 0 HB2 GLU A 113 70.086 -1.107 9.104 1.00 0.00 H new ATOM 0 HB3 GLU A 113 69.549 -2.283 10.288 1.00 0.00 H new ATOM 0 HG2 GLU A 113 68.387 -3.539 8.399 1.00 0.00 H new ATOM 0 HG3 GLU A 113 69.135 -2.426 7.271 1.00 0.00 H new ATOM 582 N GLU A 114 67.499 -0.481 7.180 1.00 0.00 N ATOM 583 CA GLU A 114 67.401 0.372 6.035 1.00 0.00 C ATOM 584 C GLU A 114 65.984 0.893 5.882 1.00 0.00 C ATOM 585 O GLU A 114 65.754 1.988 5.389 1.00 0.00 O ATOM 586 CB GLU A 114 67.860 -0.452 4.909 1.00 0.00 C ATOM 587 CG GLU A 114 69.298 -0.844 5.105 1.00 0.00 C ATOM 588 CD GLU A 114 69.643 -2.163 4.519 1.00 0.00 C ATOM 589 OE1 GLU A 114 68.911 -3.165 4.755 1.00 0.00 O ATOM 590 OE2 GLU A 114 70.668 -2.247 3.869 1.00 0.00 O ATOM 0 H GLU A 114 67.319 -1.466 6.986 1.00 0.00 H new ATOM 0 HA GLU A 114 68.012 1.271 6.109 1.00 0.00 H new ATOM 0 HB2 GLU A 114 67.240 -1.345 4.826 1.00 0.00 H new ATOM 0 HB3 GLU A 114 67.750 0.101 3.976 1.00 0.00 H new ATOM 0 HG2 GLU A 114 69.937 -0.081 4.661 1.00 0.00 H new ATOM 0 HG3 GLU A 114 69.518 -0.862 6.172 1.00 0.00 H new ATOM 597 N LYS A 115 65.053 0.113 6.368 1.00 0.00 N ATOM 598 CA LYS A 115 63.651 0.499 6.475 1.00 0.00 C ATOM 599 C LYS A 115 63.520 1.701 7.366 1.00 0.00 C ATOM 600 O LYS A 115 62.805 2.638 7.058 1.00 0.00 O ATOM 601 CB LYS A 115 62.900 -0.665 7.079 1.00 0.00 C ATOM 602 CG LYS A 115 62.639 -1.781 6.090 1.00 0.00 C ATOM 603 CD LYS A 115 62.062 -3.056 6.710 1.00 0.00 C ATOM 604 CE LYS A 115 61.677 -4.020 5.614 1.00 0.00 C ATOM 605 NZ LYS A 115 61.495 -5.416 6.080 1.00 0.00 N ATOM 0 H LYS A 115 65.242 -0.829 6.710 1.00 0.00 H new ATOM 0 HA LYS A 115 63.248 0.749 5.494 1.00 0.00 H new ATOM 0 HB2 LYS A 115 63.469 -1.059 7.921 1.00 0.00 H new ATOM 0 HB3 LYS A 115 61.949 -0.310 7.476 1.00 0.00 H new ATOM 0 HG2 LYS A 115 61.950 -1.419 5.327 1.00 0.00 H new ATOM 0 HG3 LYS A 115 63.573 -2.028 5.585 1.00 0.00 H new ATOM 0 HD2 LYS A 115 62.796 -3.516 7.372 1.00 0.00 H new ATOM 0 HD3 LYS A 115 61.191 -2.815 7.319 1.00 0.00 H new ATOM 0 HE2 LYS A 115 60.751 -3.678 5.151 1.00 0.00 H new ATOM 0 HE3 LYS A 115 62.445 -4.002 4.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 61.736 -6.073 5.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 62.117 -5.594 6.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 60.505 -5.561 6.362 1.00 0.00 H new ATOM 619 N GLN A 116 64.265 1.695 8.450 1.00 0.00 N ATOM 620 CA GLN A 116 64.257 2.782 9.403 1.00 0.00 C ATOM 621 C GLN A 116 64.864 4.005 8.847 1.00 0.00 C ATOM 622 O GLN A 116 64.720 5.061 9.400 1.00 0.00 O ATOM 623 CB GLN A 116 64.918 2.386 10.705 1.00 0.00 C ATOM 624 CG GLN A 116 63.953 2.300 11.893 1.00 0.00 C ATOM 625 CD GLN A 116 62.851 1.223 11.774 1.00 0.00 C ATOM 626 OE1 GLN A 116 62.374 0.711 12.779 1.00 0.00 O ATOM 627 NE2 GLN A 116 62.475 0.856 10.567 1.00 0.00 N ATOM 0 H GLN A 116 64.896 0.932 8.696 1.00 0.00 H new ATOM 0 HA GLN A 116 63.212 3.007 9.618 1.00 0.00 H new ATOM 0 HB2 GLN A 116 65.404 1.419 10.574 1.00 0.00 H new ATOM 0 HB3 GLN A 116 65.701 3.108 10.937 1.00 0.00 H new ATOM 0 HG2 GLN A 116 64.532 2.106 12.796 1.00 0.00 H new ATOM 0 HG3 GLN A 116 63.476 3.271 12.023 1.00 0.00 H new ATOM 0 HE21 GLN A 116 62.889 1.299 9.747 1.00 0.00 H new ATOM 0 HE22 GLN A 116 61.770 0.128 10.452 1.00 0.00 H new ATOM 636 N ARG A 117 65.492 3.882 7.732 1.00 0.00 N ATOM 637 CA ARG A 117 66.012 5.064 7.108 1.00 0.00 C ATOM 638 C ARG A 117 64.810 5.802 6.541 1.00 0.00 C ATOM 639 O ARG A 117 64.621 6.991 6.759 1.00 0.00 O ATOM 640 CB ARG A 117 66.994 4.778 5.974 1.00 0.00 C ATOM 641 CG ARG A 117 67.894 5.957 5.711 1.00 0.00 C ATOM 642 CD ARG A 117 68.748 5.743 4.503 1.00 0.00 C ATOM 643 NE ARG A 117 69.641 6.885 4.239 1.00 0.00 N ATOM 644 CZ ARG A 117 70.897 7.017 4.702 1.00 0.00 C ATOM 645 NH1 ARG A 117 71.384 6.160 5.599 1.00 0.00 N ATOM 646 NH2 ARG A 117 71.650 8.021 4.276 1.00 0.00 N ATOM 0 H ARG A 117 65.660 3.006 7.238 1.00 0.00 H new ATOM 0 HA ARG A 117 66.568 5.637 7.850 1.00 0.00 H new ATOM 0 HB2 ARG A 117 67.599 3.907 6.226 1.00 0.00 H new ATOM 0 HB3 ARG A 117 66.442 4.531 5.067 1.00 0.00 H new ATOM 0 HG2 ARG A 117 67.289 6.853 5.575 1.00 0.00 H new ATOM 0 HG3 ARG A 117 68.529 6.131 6.580 1.00 0.00 H new ATOM 0 HD2 ARG A 117 69.345 4.841 4.638 1.00 0.00 H new ATOM 0 HD3 ARG A 117 68.110 5.575 3.635 1.00 0.00 H new ATOM 0 HE ARG A 117 69.276 7.639 3.656 1.00 0.00 H new ATOM 0 HH11 ARG A 117 70.803 5.395 5.941 1.00 0.00 H new ATOM 0 HH12 ARG A 117 72.338 6.269 5.943 1.00 0.00 H new ATOM 0 HH21 ARG A 117 71.276 8.688 3.601 1.00 0.00 H new ATOM 0 HH22 ARG A 117 72.603 8.127 4.623 1.00 0.00 H new ATOM 660 N HIS A 118 63.949 5.040 5.903 1.00 0.00 N ATOM 661 CA HIS A 118 62.749 5.547 5.262 1.00 0.00 C ATOM 662 C HIS A 118 61.695 5.920 6.293 1.00 0.00 C ATOM 663 O HIS A 118 60.769 6.670 6.013 1.00 0.00 O ATOM 664 CB HIS A 118 62.192 4.504 4.289 1.00 0.00 C ATOM 665 CG HIS A 118 63.197 4.098 3.220 1.00 0.00 C ATOM 666 ND1 HIS A 118 63.814 4.990 2.380 1.00 0.00 N ATOM 667 CD2 HIS A 118 63.764 2.909 2.946 1.00 0.00 C ATOM 668 CE1 HIS A 118 64.731 4.330 1.677 1.00 0.00 C ATOM 669 NE2 HIS A 118 64.733 3.064 1.976 1.00 0.00 N ATOM 0 H HIS A 118 64.063 4.030 5.812 1.00 0.00 H new ATOM 0 HA HIS A 118 63.013 6.447 4.707 1.00 0.00 H new ATOM 0 HB2 HIS A 118 61.886 3.620 4.848 1.00 0.00 H new ATOM 0 HB3 HIS A 118 61.299 4.903 3.808 1.00 0.00 H new ATOM 0 HD1 HIS A 118 63.606 5.986 2.307 1.00 0.00 H new ATOM 0 HD2 HIS A 118 63.500 1.973 3.415 1.00 0.00 H new ATOM 0 HE1 HIS A 118 65.389 4.786 0.952 1.00 0.00 H new ATOM 677 N LEU A 119 61.839 5.387 7.483 1.00 0.00 N ATOM 678 CA LEU A 119 60.897 5.655 8.549 1.00 0.00 C ATOM 679 C LEU A 119 61.385 6.761 9.461 1.00 0.00 C ATOM 680 O LEU A 119 60.746 7.783 9.577 1.00 0.00 O ATOM 681 CB LEU A 119 60.615 4.405 9.360 1.00 0.00 C ATOM 682 CG LEU A 119 60.282 3.152 8.571 1.00 0.00 C ATOM 683 CD1 LEU A 119 59.786 2.054 9.466 1.00 0.00 C ATOM 684 CD2 LEU A 119 59.293 3.440 7.497 1.00 0.00 C ATOM 0 H LEU A 119 62.603 4.762 7.740 1.00 0.00 H new ATOM 0 HA LEU A 119 59.971 5.983 8.077 1.00 0.00 H new ATOM 0 HB2 LEU A 119 61.486 4.197 9.981 1.00 0.00 H new ATOM 0 HB3 LEU A 119 59.785 4.615 10.035 1.00 0.00 H new ATOM 0 HG LEU A 119 61.205 2.810 8.102 1.00 0.00 H new ATOM 0 HD11 LEU A 119 59.557 1.172 8.868 1.00 0.00 H new ATOM 0 HD12 LEU A 119 60.555 1.806 10.198 1.00 0.00 H new ATOM 0 HD13 LEU A 119 58.885 2.385 9.983 1.00 0.00 H new ATOM 0 HD21 LEU A 119 59.074 2.524 6.949 1.00 0.00 H new ATOM 0 HD22 LEU A 119 58.375 3.825 7.941 1.00 0.00 H new ATOM 0 HD23 LEU A 119 59.704 4.182 6.813 1.00 0.00 H new ATOM 696 N ASP A 120 62.524 6.544 10.098 1.00 0.00 N ATOM 697 CA ASP A 120 63.124 7.529 11.042 1.00 0.00 C ATOM 698 C ASP A 120 63.491 8.814 10.346 1.00 0.00 C ATOM 699 O ASP A 120 63.040 9.893 10.721 1.00 0.00 O ATOM 700 CB ASP A 120 64.388 6.969 11.657 1.00 0.00 C ATOM 701 CG ASP A 120 65.031 7.900 12.653 1.00 0.00 C ATOM 702 OD1 ASP A 120 64.522 8.029 13.782 1.00 0.00 O ATOM 703 OD2 ASP A 120 66.067 8.502 12.330 1.00 0.00 O ATOM 0 H ASP A 120 63.072 5.691 9.990 1.00 0.00 H new ATOM 0 HA ASP A 120 62.373 7.727 11.807 1.00 0.00 H new ATOM 0 HB2 ASP A 120 64.156 6.025 12.150 1.00 0.00 H new ATOM 0 HB3 ASP A 120 65.102 6.748 10.864 1.00 0.00 H new ATOM 708 N LYS A 121 64.305 8.691 9.312 1.00 0.00 N ATOM 709 CA LYS A 121 64.762 9.854 8.573 1.00 0.00 C ATOM 710 C LYS A 121 63.710 10.224 7.555 1.00 0.00 C ATOM 711 O LYS A 121 63.782 11.265 6.906 1.00 0.00 O ATOM 712 CB LYS A 121 66.084 9.580 7.890 1.00 0.00 C ATOM 713 CG LYS A 121 67.116 8.957 8.798 1.00 0.00 C ATOM 714 CD LYS A 121 68.460 8.860 8.111 1.00 0.00 C ATOM 715 CE LYS A 121 69.415 7.978 8.884 1.00 0.00 C ATOM 716 NZ LYS A 121 69.692 8.479 10.256 1.00 0.00 N ATOM 0 H LYS A 121 64.662 7.800 8.966 1.00 0.00 H new ATOM 0 HA LYS A 121 64.917 10.682 9.265 1.00 0.00 H new ATOM 0 HB2 LYS A 121 65.914 8.919 7.040 1.00 0.00 H new ATOM 0 HB3 LYS A 121 66.479 10.515 7.493 1.00 0.00 H new ATOM 0 HG2 LYS A 121 67.211 9.551 9.707 1.00 0.00 H new ATOM 0 HG3 LYS A 121 66.786 7.963 9.100 1.00 0.00 H new ATOM 0 HD2 LYS A 121 68.328 8.461 7.105 1.00 0.00 H new ATOM 0 HD3 LYS A 121 68.888 9.857 8.005 1.00 0.00 H new ATOM 0 HE2 LYS A 121 69.000 6.972 8.948 1.00 0.00 H new ATOM 0 HE3 LYS A 121 70.354 7.901 8.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 70.428 7.892 10.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 70.019 9.465 10.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 68.823 8.431 10.825 1.00 0.00 H new ATOM 730 N LYS A 122 62.733 9.318 7.431 1.00 0.00 N ATOM 731 CA LYS A 122 61.533 9.487 6.638 1.00 0.00 C ATOM 732 C LYS A 122 61.872 9.627 5.147 1.00 0.00 C ATOM 733 O LYS A 122 61.168 10.278 4.405 1.00 0.00 O ATOM 734 CB LYS A 122 60.748 10.692 7.174 1.00 0.00 C ATOM 735 CG LYS A 122 60.604 10.694 8.689 1.00 0.00 C ATOM 736 CD LYS A 122 59.999 11.972 9.211 1.00 0.00 C ATOM 737 CE LYS A 122 58.483 11.957 9.204 1.00 0.00 C ATOM 738 NZ LYS A 122 57.931 10.951 10.153 1.00 0.00 N ATOM 0 H LYS A 122 62.768 8.415 7.903 1.00 0.00 H new ATOM 0 HA LYS A 122 60.905 8.600 6.725 1.00 0.00 H new ATOM 0 HB2 LYS A 122 61.248 11.609 6.863 1.00 0.00 H new ATOM 0 HB3 LYS A 122 59.756 10.700 6.722 1.00 0.00 H new ATOM 0 HG2 LYS A 122 59.983 9.851 8.993 1.00 0.00 H new ATOM 0 HG3 LYS A 122 61.584 10.548 9.144 1.00 0.00 H new ATOM 0 HD2 LYS A 122 60.350 12.145 10.228 1.00 0.00 H new ATOM 0 HD3 LYS A 122 60.351 12.808 8.606 1.00 0.00 H new ATOM 0 HE2 LYS A 122 58.109 12.947 9.467 1.00 0.00 H new ATOM 0 HE3 LYS A 122 58.127 11.739 8.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 56.994 11.261 10.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 57.844 10.032 9.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 58.569 10.857 10.969 1.00 0.00 H new ATOM 752 N GLN A 123 62.942 8.942 4.723 1.00 0.00 N ATOM 753 CA GLN A 123 63.411 8.989 3.322 1.00 0.00 C ATOM 754 C GLN A 123 62.319 8.489 2.363 1.00 0.00 C ATOM 755 O GLN A 123 61.414 7.726 2.752 1.00 0.00 O ATOM 756 CB GLN A 123 64.646 8.104 3.102 1.00 0.00 C ATOM 757 CG GLN A 123 65.723 8.152 4.156 1.00 0.00 C ATOM 758 CD GLN A 123 66.429 9.464 4.360 1.00 0.00 C ATOM 759 OE1 GLN A 123 65.882 10.541 4.142 1.00 0.00 O ATOM 760 NE2 GLN A 123 67.656 9.359 4.826 1.00 0.00 N ATOM 0 H GLN A 123 63.505 8.345 5.329 1.00 0.00 H new ATOM 0 HA GLN A 123 63.660 10.031 3.121 1.00 0.00 H new ATOM 0 HB2 GLN A 123 64.310 7.071 3.009 1.00 0.00 H new ATOM 0 HB3 GLN A 123 65.094 8.380 2.148 1.00 0.00 H new ATOM 0 HG2 GLN A 123 65.279 7.857 5.106 1.00 0.00 H new ATOM 0 HG3 GLN A 123 66.472 7.401 3.907 1.00 0.00 H new ATOM 0 HE21 GLN A 123 68.062 8.438 4.989 1.00 0.00 H new ATOM 0 HE22 GLN A 123 68.200 10.199 5.024 1.00 0.00 H new ATOM 769 N ARG A 124 62.455 8.851 1.113 1.00 0.00 N ATOM 770 CA ARG A 124 61.467 8.516 0.118 1.00 0.00 C ATOM 771 C ARG A 124 61.876 7.254 -0.607 1.00 0.00 C ATOM 772 O ARG A 124 63.070 6.983 -0.780 1.00 0.00 O ATOM 773 CB ARG A 124 61.278 9.645 -0.927 1.00 0.00 C ATOM 774 CG ARG A 124 60.841 11.013 -0.390 1.00 0.00 C ATOM 775 CD ARG A 124 61.966 11.760 0.323 1.00 0.00 C ATOM 776 NE ARG A 124 63.092 12.069 -0.575 1.00 0.00 N ATOM 777 CZ ARG A 124 64.219 12.708 -0.212 1.00 0.00 C ATOM 778 NH1 ARG A 124 64.396 13.095 1.036 1.00 0.00 N ATOM 779 NH2 ARG A 124 65.168 12.942 -1.110 1.00 0.00 N ATOM 0 H ARG A 124 63.249 9.383 0.757 1.00 0.00 H new ATOM 0 HA ARG A 124 60.523 8.373 0.643 1.00 0.00 H new ATOM 0 HB2 ARG A 124 62.219 9.774 -1.463 1.00 0.00 H new ATOM 0 HB3 ARG A 124 60.539 9.314 -1.656 1.00 0.00 H new ATOM 0 HG2 ARG A 124 60.475 11.622 -1.217 1.00 0.00 H new ATOM 0 HG3 ARG A 124 60.008 10.877 0.300 1.00 0.00 H new ATOM 0 HD2 ARG A 124 61.574 12.687 0.742 1.00 0.00 H new ATOM 0 HD3 ARG A 124 62.325 11.159 1.158 1.00 0.00 H new ATOM 0 HE ARG A 124 63.011 11.775 -1.548 1.00 0.00 H new ATOM 0 HH11 ARG A 124 63.676 12.910 1.734 1.00 0.00 H new ATOM 0 HH12 ARG A 124 65.253 13.579 1.303 1.00 0.00 H new ATOM 0 HH21 ARG A 124 65.043 12.637 -2.075 1.00 0.00 H new ATOM 0 HH22 ARG A 124 66.022 13.426 -0.835 1.00 0.00 H new ATOM 793 N PHE A 125 60.917 6.485 -0.986 1.00 0.00 N ATOM 794 CA PHE A 125 61.129 5.304 -1.795 1.00 0.00 C ATOM 795 C PHE A 125 59.936 5.141 -2.715 1.00 0.00 C ATOM 796 O PHE A 125 59.121 6.054 -2.822 1.00 0.00 O ATOM 797 CB PHE A 125 61.326 4.045 -0.913 1.00 0.00 C ATOM 798 CG PHE A 125 60.292 3.825 0.152 1.00 0.00 C ATOM 799 CD1 PHE A 125 59.019 4.311 0.018 1.00 0.00 C ATOM 800 CD2 PHE A 125 60.594 3.127 1.288 1.00 0.00 C ATOM 801 CE1 PHE A 125 58.105 4.117 0.954 1.00 0.00 C ATOM 802 CE2 PHE A 125 59.648 2.940 2.237 1.00 0.00 C ATOM 803 CZ PHE A 125 58.426 3.432 2.061 1.00 0.00 C ATOM 0 H PHE A 125 59.939 6.649 -0.746 1.00 0.00 H new ATOM 0 HA PHE A 125 62.039 5.421 -2.383 1.00 0.00 H new ATOM 0 HB2 PHE A 125 61.344 3.169 -1.562 1.00 0.00 H new ATOM 0 HB3 PHE A 125 62.304 4.108 -0.436 1.00 0.00 H new ATOM 0 HD1 PHE A 125 58.756 4.865 -0.871 1.00 0.00 H new ATOM 0 HD2 PHE A 125 61.587 2.725 1.428 1.00 0.00 H new ATOM 0 HE1 PHE A 125 57.106 4.508 0.827 1.00 0.00 H new ATOM 0 HE2 PHE A 125 59.886 2.392 3.137 1.00 0.00 H new ATOM 0 HZ PHE A 125 57.677 3.277 2.824 1.00 0.00 H new ATOM 813 N HIS A 126 59.809 4.007 -3.321 1.00 0.00 N ATOM 814 CA HIS A 126 58.704 3.722 -4.176 1.00 0.00 C ATOM 815 C HIS A 126 57.895 2.573 -3.541 1.00 0.00 C ATOM 816 O HIS A 126 58.471 1.740 -2.896 1.00 0.00 O ATOM 817 CB HIS A 126 59.246 3.325 -5.549 1.00 0.00 C ATOM 818 CG HIS A 126 58.208 3.287 -6.594 1.00 0.00 C ATOM 819 ND1 HIS A 126 58.231 4.053 -7.721 1.00 0.00 N ATOM 820 CD2 HIS A 126 57.094 2.560 -6.652 1.00 0.00 C ATOM 821 CE1 HIS A 126 57.143 3.779 -8.416 1.00 0.00 C ATOM 822 NE2 HIS A 126 56.411 2.861 -7.815 1.00 0.00 N ATOM 0 H HIS A 126 60.478 3.242 -3.235 1.00 0.00 H new ATOM 0 HA HIS A 126 58.053 4.588 -4.298 1.00 0.00 H new ATOM 0 HB2 HIS A 126 60.023 4.030 -5.843 1.00 0.00 H new ATOM 0 HB3 HIS A 126 59.716 2.344 -5.477 1.00 0.00 H new ATOM 0 HD1 HIS A 126 58.959 4.719 -7.981 1.00 0.00 H new ATOM 0 HD2 HIS A 126 56.774 1.847 -5.907 1.00 0.00 H new ATOM 0 HE1 HIS A 126 56.885 4.246 -9.355 1.00 0.00 H new ATOM 830 N ASN A 127 56.566 2.589 -3.691 1.00 0.00 N ATOM 831 CA ASN A 127 55.632 1.527 -3.192 1.00 0.00 C ATOM 832 C ASN A 127 55.112 0.700 -4.345 1.00 0.00 C ATOM 833 O ASN A 127 54.518 1.241 -5.250 1.00 0.00 O ATOM 834 CB ASN A 127 54.439 2.154 -2.451 1.00 0.00 C ATOM 835 CG ASN A 127 54.755 2.514 -1.026 1.00 0.00 C ATOM 836 OD1 ASN A 127 53.872 2.608 -0.185 1.00 0.00 O ATOM 837 ND2 ASN A 127 56.008 2.660 -0.732 1.00 0.00 N ATOM 0 H ASN A 127 56.082 3.348 -4.170 1.00 0.00 H new ATOM 0 HA ASN A 127 56.189 0.890 -2.504 1.00 0.00 H new ATOM 0 HB2 ASN A 127 54.118 3.049 -2.983 1.00 0.00 H new ATOM 0 HB3 ASN A 127 53.602 1.456 -2.466 1.00 0.00 H new ATOM 0 HD21 ASN A 127 56.286 2.861 0.229 1.00 0.00 H new ATOM 0 HD22 ASN A 127 56.716 2.574 -1.461 1.00 0.00 H new ATOM 844 N ILE A 128 55.324 -0.606 -4.310 1.00 0.00 N ATOM 845 CA ILE A 128 54.981 -1.484 -5.403 1.00 0.00 C ATOM 846 C ILE A 128 53.912 -2.467 -4.934 1.00 0.00 C ATOM 847 O ILE A 128 53.566 -2.476 -3.791 1.00 0.00 O ATOM 848 CB ILE A 128 56.292 -2.196 -5.976 1.00 0.00 C ATOM 849 CG1 ILE A 128 57.228 -1.116 -6.457 1.00 0.00 C ATOM 850 CG2 ILE A 128 55.994 -3.149 -7.133 1.00 0.00 C ATOM 851 CD1 ILE A 128 58.092 -0.497 -5.443 1.00 0.00 C ATOM 0 H ILE A 128 55.743 -1.085 -3.513 1.00 0.00 H new ATOM 0 HA ILE A 128 54.560 -0.918 -6.234 1.00 0.00 H new ATOM 0 HB ILE A 128 56.731 -2.795 -5.178 1.00 0.00 H new ATOM 0 HG12 ILE A 128 57.864 -1.538 -7.235 1.00 0.00 H new ATOM 0 HG13 ILE A 128 56.632 -0.331 -6.923 1.00 0.00 H new ATOM 0 HG21 ILE A 128 56.923 -3.602 -7.480 1.00 0.00 H new ATOM 0 HG22 ILE A 128 55.313 -3.930 -6.795 1.00 0.00 H new ATOM 0 HG23 ILE A 128 55.533 -2.595 -7.951 1.00 0.00 H new ATOM 0 HD11 ILE A 128 58.717 0.263 -5.912 1.00 0.00 H new ATOM 0 HD12 ILE A 128 57.475 -0.034 -4.673 1.00 0.00 H new ATOM 0 HD13 ILE A 128 58.726 -1.260 -4.990 1.00 0.00 H new ATOM 863 N ARG A 129 53.360 -3.229 -5.798 1.00 0.00 N ATOM 864 CA ARG A 129 52.336 -4.142 -5.421 1.00 0.00 C ATOM 865 C ARG A 129 52.958 -5.412 -4.861 1.00 0.00 C ATOM 866 O ARG A 129 53.550 -6.201 -5.599 1.00 0.00 O ATOM 867 CB ARG A 129 51.486 -4.427 -6.638 1.00 0.00 C ATOM 868 CG ARG A 129 50.145 -5.053 -6.358 1.00 0.00 C ATOM 869 CD ARG A 129 49.371 -4.192 -5.393 1.00 0.00 C ATOM 870 NE ARG A 129 47.943 -4.513 -5.388 1.00 0.00 N ATOM 871 CZ ARG A 129 47.118 -4.387 -4.344 1.00 0.00 C ATOM 872 NH1 ARG A 129 47.600 -4.104 -3.141 1.00 0.00 N ATOM 873 NH2 ARG A 129 45.809 -4.566 -4.510 1.00 0.00 N ATOM 0 H ARG A 129 53.600 -3.243 -6.789 1.00 0.00 H new ATOM 0 HA ARG A 129 51.706 -3.717 -4.640 1.00 0.00 H new ATOM 0 HB2 ARG A 129 51.326 -3.492 -7.176 1.00 0.00 H new ATOM 0 HB3 ARG A 129 52.044 -5.086 -7.303 1.00 0.00 H new ATOM 0 HG2 ARG A 129 49.586 -5.167 -7.287 1.00 0.00 H new ATOM 0 HG3 ARG A 129 50.279 -6.051 -5.942 1.00 0.00 H new ATOM 0 HD2 ARG A 129 49.774 -4.322 -4.389 1.00 0.00 H new ATOM 0 HD3 ARG A 129 49.505 -3.143 -5.657 1.00 0.00 H new ATOM 0 HE ARG A 129 47.542 -4.864 -6.258 1.00 0.00 H new ATOM 0 HH11 ARG A 129 48.604 -3.982 -3.010 1.00 0.00 H new ATOM 0 HH12 ARG A 129 46.967 -4.009 -2.347 1.00 0.00 H new ATOM 0 HH21 ARG A 129 45.439 -4.798 -5.432 1.00 0.00 H new ATOM 0 HH22 ARG A 129 45.176 -4.471 -3.716 1.00 0.00 H new ATOM 887 N GLY A 130 52.902 -5.534 -3.554 1.00 0.00 N ATOM 888 CA GLY A 130 53.371 -6.721 -2.878 1.00 0.00 C ATOM 889 C GLY A 130 54.692 -6.516 -2.177 1.00 0.00 C ATOM 890 O GLY A 130 54.999 -7.201 -1.201 1.00 0.00 O ATOM 0 H GLY A 130 52.531 -4.816 -2.932 1.00 0.00 H new ATOM 0 HA2 GLY A 130 52.624 -7.037 -2.149 1.00 0.00 H new ATOM 0 HA3 GLY A 130 53.472 -7.529 -3.602 1.00 0.00 H new ATOM 894 N ARG A 131 55.483 -5.602 -2.685 1.00 0.00 N ATOM 895 CA ARG A 131 56.802 -5.312 -2.150 1.00 0.00 C ATOM 896 C ARG A 131 57.109 -3.892 -2.473 1.00 0.00 C ATOM 897 O ARG A 131 56.305 -3.247 -3.131 1.00 0.00 O ATOM 898 CB ARG A 131 57.838 -6.163 -2.878 1.00 0.00 C ATOM 899 CG ARG A 131 57.968 -5.807 -4.362 1.00 0.00 C ATOM 900 CD ARG A 131 59.386 -5.432 -4.700 1.00 0.00 C ATOM 901 NE ARG A 131 59.620 -5.283 -6.135 1.00 0.00 N ATOM 902 CZ ARG A 131 60.660 -4.615 -6.659 1.00 0.00 C ATOM 903 NH1 ARG A 131 61.491 -3.935 -5.865 1.00 0.00 N ATOM 904 NH2 ARG A 131 60.865 -4.612 -7.966 1.00 0.00 N ATOM 0 H ARG A 131 55.231 -5.029 -3.491 1.00 0.00 H new ATOM 0 HA ARG A 131 56.825 -5.510 -1.078 1.00 0.00 H new ATOM 0 HB2 ARG A 131 58.807 -6.039 -2.394 1.00 0.00 H new ATOM 0 HB3 ARG A 131 57.567 -7.215 -2.785 1.00 0.00 H new ATOM 0 HG2 ARG A 131 57.656 -6.654 -4.972 1.00 0.00 H new ATOM 0 HG3 ARG A 131 57.301 -4.979 -4.602 1.00 0.00 H new ATOM 0 HD2 ARG A 131 59.636 -4.497 -4.199 1.00 0.00 H new ATOM 0 HD3 ARG A 131 60.059 -6.194 -4.307 1.00 0.00 H new ATOM 0 HE ARG A 131 58.953 -5.712 -6.777 1.00 0.00 H new ATOM 0 HH11 ARG A 131 61.337 -3.922 -4.857 1.00 0.00 H new ATOM 0 HH12 ARG A 131 62.280 -3.429 -6.267 1.00 0.00 H new ATOM 0 HH21 ARG A 131 60.231 -5.119 -8.583 1.00 0.00 H new ATOM 0 HH22 ARG A 131 61.657 -4.102 -8.357 1.00 0.00 H new ATOM 918 N TRP A 132 58.255 -3.384 -2.058 1.00 0.00 N ATOM 919 CA TRP A 132 58.671 -2.181 -2.647 1.00 0.00 C ATOM 920 C TRP A 132 60.151 -2.110 -3.026 1.00 0.00 C ATOM 921 O TRP A 132 60.866 -3.131 -3.021 1.00 0.00 O ATOM 922 CB TRP A 132 58.178 -0.965 -1.930 1.00 0.00 C ATOM 923 CG TRP A 132 58.561 -0.612 -0.571 1.00 0.00 C ATOM 924 CD1 TRP A 132 57.754 -0.236 0.375 1.00 0.00 C ATOM 925 CD2 TRP A 132 59.894 -0.486 -0.050 1.00 0.00 C ATOM 926 NE1 TRP A 132 58.470 0.120 1.479 1.00 0.00 N ATOM 927 CE2 TRP A 132 59.811 -0.041 1.213 1.00 0.00 C ATOM 928 CE3 TRP A 132 61.106 -0.736 -0.547 1.00 0.00 C ATOM 929 CZ2 TRP A 132 60.977 0.174 2.005 1.00 0.00 C ATOM 930 CZ3 TRP A 132 62.218 -0.551 0.178 1.00 0.00 C ATOM 931 CH2 TRP A 132 62.166 -0.096 1.429 1.00 0.00 C ATOM 0 H TRP A 132 58.870 -3.782 -1.348 1.00 0.00 H new ATOM 0 HA TRP A 132 58.165 -2.184 -3.613 1.00 0.00 H new ATOM 0 HB2 TRP A 132 58.448 -0.113 -2.554 1.00 0.00 H new ATOM 0 HB3 TRP A 132 57.090 -1.030 -1.933 1.00 0.00 H new ATOM 0 HD1 TRP A 132 56.677 -0.209 0.298 1.00 0.00 H new ATOM 0 HE1 TRP A 132 58.076 0.452 2.359 1.00 0.00 H new ATOM 0 HE3 TRP A 132 61.194 -1.097 -1.561 1.00 0.00 H new ATOM 0 HZ2 TRP A 132 60.911 0.537 3.020 1.00 0.00 H new ATOM 0 HZ3 TRP A 132 63.178 -0.776 -0.262 1.00 0.00 H new ATOM 0 HH2 TRP A 132 63.080 0.057 1.984 1.00 0.00 H new ATOM 942 N THR A 133 60.609 -0.896 -3.368 1.00 0.00 N ATOM 943 CA THR A 133 61.940 -0.644 -3.715 1.00 0.00 C ATOM 944 C THR A 133 62.334 0.752 -3.054 1.00 0.00 C ATOM 945 O THR A 133 61.643 1.774 -3.201 1.00 0.00 O ATOM 946 CB THR A 133 61.996 -0.691 -5.248 1.00 0.00 C ATOM 947 OG1 THR A 133 63.258 -0.836 -5.758 1.00 0.00 O ATOM 948 CG2 THR A 133 61.263 0.444 -5.856 1.00 0.00 C ATOM 0 H THR A 133 60.016 -0.067 -3.399 1.00 0.00 H new ATOM 0 HA THR A 133 62.668 -1.368 -3.349 1.00 0.00 H new ATOM 0 HB THR A 133 61.478 -1.606 -5.534 1.00 0.00 H new ATOM 0 HG1 THR A 133 63.764 -1.467 -5.204 1.00 0.00 H new ATOM 0 HG21 THR A 133 61.325 0.377 -6.942 1.00 0.00 H new ATOM 0 HG22 THR A 133 60.218 0.408 -5.549 1.00 0.00 H new ATOM 0 HG23 THR A 133 61.707 1.383 -5.525 1.00 0.00 H new ATOM 956 N GLY A 134 63.374 0.692 -2.244 1.00 0.00 N ATOM 957 CA GLY A 134 63.857 1.772 -1.404 1.00 0.00 C ATOM 958 C GLY A 134 65.298 2.030 -1.652 1.00 0.00 C ATOM 959 O GLY A 134 65.739 1.857 -2.725 1.00 0.00 O ATOM 0 H GLY A 134 63.934 -0.155 -2.149 1.00 0.00 H new ATOM 0 HA2 GLY A 134 63.282 2.677 -1.601 1.00 0.00 H new ATOM 0 HA3 GLY A 134 63.704 1.519 -0.355 1.00 0.00 H new ATOM 963 N ARG A 135 66.043 2.410 -0.677 1.00 0.00 N ATOM 964 CA ARG A 135 67.476 2.623 -0.861 1.00 0.00 C ATOM 965 C ARG A 135 68.176 2.268 0.366 1.00 0.00 C ATOM 966 O ARG A 135 68.044 2.961 1.384 1.00 0.00 O ATOM 967 CB ARG A 135 67.818 4.064 -1.310 1.00 0.00 C ATOM 968 CG ARG A 135 67.267 4.348 -2.677 1.00 0.00 C ATOM 969 CD ARG A 135 67.764 5.584 -3.334 1.00 0.00 C ATOM 970 NE ARG A 135 67.497 6.819 -2.585 1.00 0.00 N ATOM 971 CZ ARG A 135 68.318 7.877 -2.535 1.00 0.00 C ATOM 972 NH1 ARG A 135 69.576 7.775 -2.973 1.00 0.00 N ATOM 973 NH2 ARG A 135 67.905 9.014 -1.986 1.00 0.00 N ATOM 0 H ARG A 135 65.704 2.587 0.269 1.00 0.00 H new ATOM 0 HA ARG A 135 67.810 1.976 -1.672 1.00 0.00 H new ATOM 0 HB2 ARG A 135 67.410 4.778 -0.594 1.00 0.00 H new ATOM 0 HB3 ARG A 135 68.899 4.200 -1.315 1.00 0.00 H new ATOM 0 HG2 ARG A 135 67.495 3.500 -3.323 1.00 0.00 H new ATOM 0 HG3 ARG A 135 66.181 4.410 -2.604 1.00 0.00 H new ATOM 0 HD2 ARG A 135 68.839 5.492 -3.488 1.00 0.00 H new ATOM 0 HD3 ARG A 135 67.307 5.666 -4.320 1.00 0.00 H new ATOM 0 HE ARG A 135 66.622 6.876 -2.064 1.00 0.00 H new ATOM 0 HH11 ARG A 135 69.915 6.889 -3.348 1.00 0.00 H new ATOM 0 HH12 ARG A 135 70.197 8.583 -2.933 1.00 0.00 H new ATOM 0 HH21 ARG A 135 66.962 9.082 -1.602 1.00 0.00 H new ATOM 0 HH22 ARG A 135 68.530 9.819 -1.948 1.00 0.00 H new ATOM 987 N CYS A 136 68.877 1.139 0.323 1.00 0.00 N ATOM 988 CA CYS A 136 69.634 0.721 1.456 1.00 0.00 C ATOM 989 C CYS A 136 70.708 1.732 1.758 1.00 0.00 C ATOM 990 O CYS A 136 70.983 2.583 0.947 1.00 0.00 O ATOM 991 CB CYS A 136 70.267 -0.643 1.254 1.00 0.00 C ATOM 992 SG CYS A 136 71.784 -0.786 0.237 1.00 0.00 S ATOM 0 H CYS A 136 68.925 0.516 -0.483 1.00 0.00 H new ATOM 0 HA CYS A 136 68.943 0.645 2.295 1.00 0.00 H new ATOM 0 HB2 CYS A 136 70.494 -1.048 2.240 1.00 0.00 H new ATOM 0 HB3 CYS A 136 69.512 -1.292 0.809 1.00 0.00 H new ATOM 997 N MET A 137 71.326 1.602 2.893 1.00 0.00 N ATOM 998 CA MET A 137 72.392 2.522 3.358 1.00 0.00 C ATOM 999 C MET A 137 73.417 2.824 2.281 1.00 0.00 C ATOM 1000 O MET A 137 73.760 3.973 2.037 1.00 0.00 O ATOM 1001 CB MET A 137 73.082 1.932 4.564 1.00 0.00 C ATOM 1002 CG MET A 137 72.158 1.720 5.721 1.00 0.00 C ATOM 1003 SD MET A 137 72.917 0.812 7.085 1.00 0.00 S ATOM 1004 CE MET A 137 73.181 -0.782 6.283 1.00 0.00 C ATOM 0 H MET A 137 71.121 0.851 3.553 1.00 0.00 H new ATOM 0 HA MET A 137 71.912 3.465 3.619 1.00 0.00 H new ATOM 0 HB2 MET A 137 73.533 0.979 4.287 1.00 0.00 H new ATOM 0 HB3 MET A 137 73.893 2.592 4.870 1.00 0.00 H new ATOM 0 HG2 MET A 137 71.815 2.688 6.085 1.00 0.00 H new ATOM 0 HG3 MET A 137 71.277 1.178 5.379 1.00 0.00 H new ATOM 0 HE1 MET A 137 73.233 -1.566 7.039 1.00 0.00 H new ATOM 0 HE2 MET A 137 72.355 -0.988 5.603 1.00 0.00 H new ATOM 0 HE3 MET A 137 74.115 -0.757 5.722 1.00 0.00 H new ATOM 1014 N SER A 138 73.835 1.810 1.622 1.00 0.00 N ATOM 1015 CA SER A 138 74.827 1.922 0.571 1.00 0.00 C ATOM 1016 C SER A 138 74.325 2.793 -0.606 1.00 0.00 C ATOM 1017 O SER A 138 75.092 3.587 -1.182 1.00 0.00 O ATOM 1018 CB SER A 138 75.161 0.537 0.061 1.00 0.00 C ATOM 1019 OG SER A 138 75.488 -0.347 1.133 1.00 0.00 O ATOM 0 H SER A 138 73.506 0.858 1.784 1.00 0.00 H new ATOM 0 HA SER A 138 75.711 2.404 0.989 1.00 0.00 H new ATOM 0 HB2 SER A 138 74.313 0.138 -0.496 1.00 0.00 H new ATOM 0 HB3 SER A 138 75.999 0.595 -0.633 1.00 0.00 H new ATOM 0 HG SER A 138 75.697 -1.234 0.773 1.00 0.00 H new ATOM 1025 N CYS A 139 73.054 2.662 -0.921 1.00 0.00 N ATOM 1026 CA CYS A 139 72.466 3.268 -2.035 1.00 0.00 C ATOM 1027 C CYS A 139 71.790 4.610 -1.728 1.00 0.00 C ATOM 1028 O CYS A 139 71.720 5.492 -2.577 1.00 0.00 O ATOM 1029 CB CYS A 139 71.517 2.287 -2.561 1.00 0.00 C ATOM 1030 SG CYS A 139 72.280 0.754 -3.188 1.00 0.00 S ATOM 0 H CYS A 139 72.401 2.104 -0.370 1.00 0.00 H new ATOM 0 HA CYS A 139 73.232 3.530 -2.765 1.00 0.00 H new ATOM 0 HB2 CYS A 139 70.808 2.029 -1.775 1.00 0.00 H new ATOM 0 HB3 CYS A 139 70.946 2.749 -3.366 1.00 0.00 H new ATOM 1035 N SER A 140 71.308 4.743 -0.532 1.00 0.00 N ATOM 1036 CA SER A 140 70.623 5.913 -0.079 1.00 0.00 C ATOM 1037 C SER A 140 71.582 7.087 0.104 1.00 0.00 C ATOM 1038 O SER A 140 71.196 8.255 -0.037 1.00 0.00 O ATOM 1039 CB SER A 140 69.933 5.562 1.214 1.00 0.00 C ATOM 1040 OG SER A 140 70.853 4.996 2.125 1.00 0.00 O ATOM 0 H SER A 140 71.383 4.016 0.179 1.00 0.00 H new ATOM 0 HA SER A 140 69.892 6.231 -0.823 1.00 0.00 H new ATOM 0 HB2 SER A 140 69.484 6.455 1.648 1.00 0.00 H new ATOM 0 HB3 SER A 140 69.122 4.859 1.022 1.00 0.00 H new ATOM 0 HG SER A 140 71.032 4.066 1.874 1.00 0.00 H new ATOM 1046 N ARG A 141 72.826 6.774 0.417 1.00 0.00 N ATOM 1047 CA ARG A 141 73.849 7.780 0.564 1.00 0.00 C ATOM 1048 C ARG A 141 74.301 8.284 -0.803 1.00 0.00 C ATOM 1049 O ARG A 141 74.779 9.406 -0.935 1.00 0.00 O ATOM 1050 CB ARG A 141 75.031 7.232 1.368 1.00 0.00 C ATOM 1051 CG ARG A 141 74.681 6.880 2.810 1.00 0.00 C ATOM 1052 CD ARG A 141 75.878 6.341 3.589 1.00 0.00 C ATOM 1053 NE ARG A 141 76.422 5.091 3.026 1.00 0.00 N ATOM 1054 CZ ARG A 141 76.665 3.967 3.727 1.00 0.00 C ATOM 1055 NH1 ARG A 141 76.285 3.862 4.997 1.00 0.00 N ATOM 1056 NH2 ARG A 141 77.255 2.936 3.138 1.00 0.00 N ATOM 0 H ARG A 141 73.149 5.820 0.575 1.00 0.00 H new ATOM 0 HA ARG A 141 73.431 8.623 1.114 1.00 0.00 H new ATOM 0 HB2 ARG A 141 75.417 6.343 0.870 1.00 0.00 H new ATOM 0 HB3 ARG A 141 75.833 7.971 1.368 1.00 0.00 H new ATOM 0 HG2 ARG A 141 74.294 7.766 3.313 1.00 0.00 H new ATOM 0 HG3 ARG A 141 73.884 6.137 2.816 1.00 0.00 H new ATOM 0 HD2 ARG A 141 76.663 7.097 3.605 1.00 0.00 H new ATOM 0 HD3 ARG A 141 75.582 6.167 4.624 1.00 0.00 H new ATOM 0 HE ARG A 141 76.630 5.077 2.028 1.00 0.00 H new ATOM 0 HH11 ARG A 141 75.804 4.638 5.451 1.00 0.00 H new ATOM 0 HH12 ARG A 141 76.475 3.005 5.517 1.00 0.00 H new ATOM 0 HH21 ARG A 141 77.524 2.995 2.156 1.00 0.00 H new ATOM 0 HH22 ARG A 141 77.440 2.084 3.667 1.00 0.00 H new ATOM 1070 N SER A 142 74.096 7.474 -1.817 1.00 0.00 N ATOM 1071 CA SER A 142 74.486 7.819 -3.149 1.00 0.00 C ATOM 1072 C SER A 142 73.353 8.598 -3.830 1.00 0.00 C ATOM 1073 O SER A 142 72.256 8.077 -4.041 1.00 0.00 O ATOM 1074 CB SER A 142 74.829 6.552 -3.931 1.00 0.00 C ATOM 1075 OG SER A 142 75.391 6.846 -5.209 1.00 0.00 O ATOM 0 H SER A 142 73.653 6.559 -1.733 1.00 0.00 H new ATOM 0 HA SER A 142 75.372 8.453 -3.122 1.00 0.00 H new ATOM 0 HB2 SER A 142 75.533 5.951 -3.356 1.00 0.00 H new ATOM 0 HB3 SER A 142 73.929 5.952 -4.061 1.00 0.00 H new ATOM 0 HG SER A 142 76.173 6.275 -5.362 1.00 0.00 H new ATOM 1081 N SER A 143 73.588 9.854 -4.090 1.00 0.00 N ATOM 1082 CA SER A 143 72.619 10.685 -4.765 1.00 0.00 C ATOM 1083 C SER A 143 72.975 10.873 -6.248 1.00 0.00 C ATOM 1084 O SER A 143 72.139 11.301 -7.066 1.00 0.00 O ATOM 1085 CB SER A 143 72.511 12.028 -4.038 1.00 0.00 C ATOM 1086 OG SER A 143 73.800 12.572 -3.777 1.00 0.00 O ATOM 0 H SER A 143 74.453 10.334 -3.842 1.00 0.00 H new ATOM 0 HA SER A 143 71.648 10.190 -4.738 1.00 0.00 H new ATOM 0 HB2 SER A 143 71.933 12.727 -4.642 1.00 0.00 H new ATOM 0 HB3 SER A 143 71.972 11.896 -3.100 1.00 0.00 H new ATOM 0 HG SER A 143 73.705 13.430 -3.314 1.00 0.00 H new ATOM 1092 N ARG A 144 74.204 10.545 -6.602 1.00 0.00 N ATOM 1093 CA ARG A 144 74.661 10.750 -7.959 1.00 0.00 C ATOM 1094 C ARG A 144 74.583 9.473 -8.772 1.00 0.00 C ATOM 1095 O ARG A 144 73.762 9.350 -9.678 1.00 0.00 O ATOM 1096 CB ARG A 144 76.104 11.270 -7.998 1.00 0.00 C ATOM 1097 CG ARG A 144 76.366 12.518 -7.179 1.00 0.00 C ATOM 1098 CD ARG A 144 77.816 12.952 -7.309 1.00 0.00 C ATOM 1099 NE ARG A 144 78.143 13.442 -8.659 1.00 0.00 N ATOM 1100 CZ ARG A 144 79.245 13.113 -9.358 1.00 0.00 C ATOM 1101 NH1 ARG A 144 80.036 12.134 -8.940 1.00 0.00 N ATOM 1102 NH2 ARG A 144 79.528 13.737 -10.490 1.00 0.00 N ATOM 0 H ARG A 144 74.897 10.139 -5.973 1.00 0.00 H new ATOM 0 HA ARG A 144 73.998 11.497 -8.395 1.00 0.00 H new ATOM 0 HB2 ARG A 144 76.767 10.479 -7.647 1.00 0.00 H new ATOM 0 HB3 ARG A 144 76.371 11.473 -9.035 1.00 0.00 H new ATOM 0 HG2 ARG A 144 75.710 13.322 -7.512 1.00 0.00 H new ATOM 0 HG3 ARG A 144 76.131 12.328 -6.132 1.00 0.00 H new ATOM 0 HD2 ARG A 144 78.023 13.737 -6.582 1.00 0.00 H new ATOM 0 HD3 ARG A 144 78.466 12.112 -7.064 1.00 0.00 H new ATOM 0 HE ARG A 144 77.482 14.082 -9.099 1.00 0.00 H new ATOM 0 HH11 ARG A 144 79.810 11.626 -8.085 1.00 0.00 H new ATOM 0 HH12 ARG A 144 80.870 11.889 -9.474 1.00 0.00 H new ATOM 0 HH21 ARG A 144 78.910 14.471 -10.836 1.00 0.00 H new ATOM 0 HH22 ARG A 144 80.364 13.484 -11.016 1.00 0.00 H new ATOM 1116 N THR A 145 75.413 8.526 -8.421 1.00 0.00 N ATOM 1117 CA THR A 145 75.584 7.336 -9.211 1.00 0.00 C ATOM 1118 C THR A 145 74.550 6.242 -8.905 1.00 0.00 C ATOM 1119 O THR A 145 73.714 5.920 -9.770 1.00 0.00 O ATOM 1120 CB THR A 145 77.024 6.804 -9.032 1.00 0.00 C ATOM 1121 OG1 THR A 145 77.942 7.898 -9.244 1.00 0.00 O ATOM 1122 CG2 THR A 145 77.340 5.697 -10.035 1.00 0.00 C ATOM 0 H THR A 145 75.989 8.558 -7.580 1.00 0.00 H new ATOM 0 HA THR A 145 75.416 7.612 -10.252 1.00 0.00 H new ATOM 0 HB THR A 145 77.121 6.392 -8.027 1.00 0.00 H new ATOM 0 HG1 THR A 145 78.862 7.579 -9.133 1.00 0.00 H new ATOM 0 HG21 THR A 145 78.360 5.346 -9.880 1.00 0.00 H new ATOM 0 HG22 THR A 145 76.646 4.868 -9.893 1.00 0.00 H new ATOM 0 HG23 THR A 145 77.239 6.085 -11.049 1.00 0.00 H new ATOM 1130 N ARG A 146 74.589 5.700 -7.678 1.00 0.00 N ATOM 1131 CA ARG A 146 73.771 4.540 -7.269 1.00 0.00 C ATOM 1132 C ARG A 146 74.077 3.334 -8.175 1.00 0.00 C ATOM 1133 O ARG A 146 75.055 3.349 -8.944 1.00 0.00 O ATOM 1134 CB ARG A 146 72.267 4.864 -7.277 1.00 0.00 C ATOM 1135 CG ARG A 146 71.883 6.030 -6.386 1.00 0.00 C ATOM 1136 CD ARG A 146 70.382 6.226 -6.334 1.00 0.00 C ATOM 1137 NE ARG A 146 69.794 6.519 -7.647 1.00 0.00 N ATOM 1138 CZ ARG A 146 68.729 5.889 -8.172 1.00 0.00 C ATOM 1139 NH1 ARG A 146 68.178 4.864 -7.534 1.00 0.00 N ATOM 1140 NH2 ARG A 146 68.236 6.277 -9.340 1.00 0.00 N ATOM 0 H ARG A 146 75.191 6.054 -6.935 1.00 0.00 H new ATOM 0 HA ARG A 146 74.036 4.290 -6.242 1.00 0.00 H new ATOM 0 HB2 ARG A 146 71.958 5.084 -8.299 1.00 0.00 H new ATOM 0 HB3 ARG A 146 71.714 3.980 -6.960 1.00 0.00 H new ATOM 0 HG2 ARG A 146 72.263 5.858 -5.379 1.00 0.00 H new ATOM 0 HG3 ARG A 146 72.356 6.940 -6.754 1.00 0.00 H new ATOM 0 HD2 ARG A 146 69.918 5.328 -5.927 1.00 0.00 H new ATOM 0 HD3 ARG A 146 70.152 7.042 -5.649 1.00 0.00 H new ATOM 0 HE ARG A 146 70.227 7.257 -8.203 1.00 0.00 H new ATOM 0 HH11 ARG A 146 68.563 4.552 -6.642 1.00 0.00 H new ATOM 0 HH12 ARG A 146 67.370 4.388 -7.935 1.00 0.00 H new ATOM 0 HH21 ARG A 146 68.665 7.055 -9.842 1.00 0.00 H new ATOM 0 HH22 ARG A 146 67.428 5.798 -9.737 1.00 0.00 H new ATOM 1154 N ARG A 147 73.309 2.276 -8.071 1.00 0.00 N ATOM 1155 CA ARG A 147 73.490 1.168 -8.920 1.00 0.00 C ATOM 1156 C ARG A 147 72.302 0.861 -9.740 1.00 0.00 C ATOM 1157 O ARG A 147 71.199 1.201 -9.405 1.00 0.00 O ATOM 1158 CB ARG A 147 73.937 -0.052 -8.181 1.00 0.00 C ATOM 1159 CG ARG A 147 75.430 -0.123 -7.920 1.00 0.00 C ATOM 1160 CD ARG A 147 76.218 -0.164 -9.233 1.00 0.00 C ATOM 1161 NE ARG A 147 76.290 1.126 -9.937 1.00 0.00 N ATOM 1162 CZ ARG A 147 76.754 1.272 -11.180 1.00 0.00 C ATOM 1163 NH1 ARG A 147 77.481 0.295 -11.741 1.00 0.00 N ATOM 1164 NH2 ARG A 147 76.555 2.415 -11.832 1.00 0.00 N ATOM 0 H ARG A 147 72.552 2.178 -7.395 1.00 0.00 H new ATOM 0 HA ARG A 147 74.287 1.466 -9.601 1.00 0.00 H new ATOM 0 HB2 ARG A 147 73.413 -0.095 -7.226 1.00 0.00 H new ATOM 0 HB3 ARG A 147 73.639 -0.934 -8.748 1.00 0.00 H new ATOM 0 HG2 ARG A 147 75.741 0.741 -7.332 1.00 0.00 H new ATOM 0 HG3 ARG A 147 75.657 -1.010 -7.328 1.00 0.00 H new ATOM 0 HD2 ARG A 147 77.231 -0.508 -9.024 1.00 0.00 H new ATOM 0 HD3 ARG A 147 75.761 -0.900 -9.894 1.00 0.00 H new ATOM 0 HE ARG A 147 75.966 1.959 -9.446 1.00 0.00 H new ATOM 0 HH11 ARG A 147 77.679 -0.558 -11.218 1.00 0.00 H new ATOM 0 HH12 ARG A 147 77.836 0.405 -12.691 1.00 0.00 H new ATOM 0 HH21 ARG A 147 76.049 3.177 -11.382 1.00 0.00 H new ATOM 0 HH22 ARG A 147 76.909 2.529 -12.782 1.00 0.00 H new ATOM 1178 N GLU A 148 72.569 0.272 -10.842 1.00 0.00 N ATOM 1179 CA GLU A 148 71.590 -0.164 -11.754 1.00 0.00 C ATOM 1180 C GLU A 148 71.568 -1.676 -11.818 1.00 0.00 C ATOM 1181 O GLU A 148 70.527 -2.306 -11.752 1.00 0.00 O ATOM 1182 CB GLU A 148 72.023 0.362 -13.078 1.00 0.00 C ATOM 1183 CG GLU A 148 71.710 1.826 -13.308 1.00 0.00 C ATOM 1184 CD GLU A 148 70.221 2.095 -13.411 1.00 0.00 C ATOM 1185 OE1 GLU A 148 69.563 2.329 -12.377 1.00 0.00 O ATOM 1186 OE2 GLU A 148 69.685 2.088 -14.534 1.00 0.00 O ATOM 0 H GLU A 148 73.522 0.072 -11.145 1.00 0.00 H new ATOM 0 HA GLU A 148 70.597 0.179 -11.464 1.00 0.00 H new ATOM 0 HB2 GLU A 148 73.098 0.214 -13.179 1.00 0.00 H new ATOM 0 HB3 GLU A 148 71.545 -0.226 -13.862 1.00 0.00 H new ATOM 0 HG2 GLU A 148 72.126 2.415 -12.491 1.00 0.00 H new ATOM 0 HG3 GLU A 148 72.200 2.159 -14.223 1.00 0.00 H new ATOM 1193 N THR A 149 72.747 -2.243 -11.867 1.00 0.00 N ATOM 1194 CA THR A 149 72.905 -3.648 -12.166 1.00 0.00 C ATOM 1195 C THR A 149 73.691 -4.348 -11.059 1.00 0.00 C ATOM 1196 O THR A 149 74.164 -5.466 -11.206 1.00 0.00 O ATOM 1197 CB THR A 149 73.595 -3.778 -13.555 1.00 0.00 C ATOM 1198 OG1 THR A 149 73.681 -5.134 -14.008 1.00 0.00 O ATOM 1199 CG2 THR A 149 74.978 -3.141 -13.543 1.00 0.00 C ATOM 0 H THR A 149 73.623 -1.748 -11.702 1.00 0.00 H new ATOM 0 HA THR A 149 71.934 -4.141 -12.211 1.00 0.00 H new ATOM 0 HB THR A 149 72.961 -3.241 -14.260 1.00 0.00 H new ATOM 0 HG1 THR A 149 73.856 -5.723 -13.245 1.00 0.00 H new ATOM 0 HG21 THR A 149 75.436 -3.247 -14.526 1.00 0.00 H new ATOM 0 HG22 THR A 149 74.889 -2.083 -13.296 1.00 0.00 H new ATOM 0 HG23 THR A 149 75.600 -3.636 -12.798 1.00 0.00 H new ATOM 1207 N GLN A 150 73.789 -3.660 -9.931 1.00 0.00 N ATOM 1208 CA GLN A 150 74.440 -4.176 -8.704 1.00 0.00 C ATOM 1209 C GLN A 150 75.934 -4.461 -8.893 1.00 0.00 C ATOM 1210 O GLN A 150 76.556 -5.137 -8.080 1.00 0.00 O ATOM 1211 CB GLN A 150 73.738 -5.442 -8.173 1.00 0.00 C ATOM 1212 CG GLN A 150 72.282 -5.307 -7.703 1.00 0.00 C ATOM 1213 CD GLN A 150 71.261 -5.003 -8.796 1.00 0.00 C ATOM 1214 OE1 GLN A 150 70.731 -5.905 -9.437 1.00 0.00 O ATOM 1215 NE2 GLN A 150 70.916 -3.752 -8.959 1.00 0.00 N ATOM 0 H GLN A 150 73.419 -2.715 -9.826 1.00 0.00 H new ATOM 0 HA GLN A 150 74.343 -3.378 -7.968 1.00 0.00 H new ATOM 0 HB2 GLN A 150 73.768 -6.197 -8.959 1.00 0.00 H new ATOM 0 HB3 GLN A 150 74.325 -5.826 -7.339 1.00 0.00 H new ATOM 0 HG2 GLN A 150 71.992 -6.233 -7.207 1.00 0.00 H new ATOM 0 HG3 GLN A 150 72.233 -4.516 -6.955 1.00 0.00 H new ATOM 0 HE21 GLN A 150 71.373 -3.022 -8.413 1.00 0.00 H new ATOM 0 HE22 GLN A 150 70.190 -3.507 -9.632 1.00 0.00 H new ATOM 1224 N LEU A 151 76.495 -3.905 -9.906 1.00 0.00 N ATOM 1225 CA LEU A 151 77.884 -4.143 -10.239 1.00 0.00 C ATOM 1226 C LEU A 151 78.730 -2.964 -9.825 1.00 0.00 C ATOM 1227 O LEU A 151 79.581 -3.120 -8.920 1.00 0.00 O ATOM 1228 CB LEU A 151 78.057 -4.468 -11.726 1.00 0.00 C ATOM 1229 CG LEU A 151 77.333 -5.733 -12.209 1.00 0.00 C ATOM 1230 CD1 LEU A 151 77.500 -5.923 -13.708 1.00 0.00 C ATOM 1231 CD2 LEU A 151 77.831 -6.968 -11.470 1.00 0.00 C ATOM 1232 OXT LEU A 151 78.479 -1.845 -10.315 1.00 0.00 O ATOM 0 H LEU A 151 76.015 -3.266 -10.540 1.00 0.00 H new ATOM 0 HA LEU A 151 78.224 -5.017 -9.683 1.00 0.00 H new ATOM 0 HB2 LEU A 151 77.701 -3.620 -12.310 1.00 0.00 H new ATOM 0 HB3 LEU A 151 79.121 -4.575 -11.936 1.00 0.00 H new ATOM 0 HG LEU A 151 76.273 -5.602 -11.992 1.00 0.00 H new ATOM 0 HD11 LEU A 151 76.977 -6.827 -14.021 1.00 0.00 H new ATOM 0 HD12 LEU A 151 77.084 -5.063 -14.232 1.00 0.00 H new ATOM 0 HD13 LEU A 151 78.559 -6.016 -13.947 1.00 0.00 H new ATOM 0 HD21 LEU A 151 77.300 -7.848 -11.833 1.00 0.00 H new ATOM 0 HD22 LEU A 151 78.900 -7.091 -11.645 1.00 0.00 H new ATOM 0 HD23 LEU A 151 77.650 -6.850 -10.402 1.00 0.00 H new TER 1244 LEU A 151 HETATM 1245 ZN ZN A 201 71.259 -0.916 -2.021 1.00 0.00 ZN