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 118 HIS : no HE2:sc= -3.12! C(o=-5.8!,f=-11!) USER MOD Set 1.2: A 123 GLN : amide:sc= -2.63 K(o=-5.8,f=-12!) USER MOD Set 2.1: A 81 TYR OH : rot 116:sc= -1.33 USER MOD Set 2.2: A 91 GLN : amide:sc= -0.0202 K(o=-2.8,f=-4.3) USER MOD Set 2.3: A 92 TYR OH : rot -93:sc= 0.436 USER MOD Set 2.4: A 127 ASN : amide:sc= -1.84 K(o=-2.8,f=-5.5!) USER MOD Set 3.1: A 87 THR OG1 : rot -59:sc= 0.788 USER MOD Set 3.2: A 90 GLN : amide:sc= -0.519 X(o=0.27,f=0.49) USER MOD Single : A 79 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot 85:sc= 0.0798 USER MOD Single : A 82 SER OG : rot 28:sc= 1.21 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 104:sc= 0.00826 USER MOD Single : A 93 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 LYS NZ :NH3+ -175:sc= -0.536 (180deg=-0.665) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 105 ASN :FLIP amide:sc= -2.96 F(o=-7.2!,f=-3) USER MOD Single : A 107 GLN : amide:sc= -0.338 X(o=-0.34,f=0) USER MOD Single : A 108 LYS NZ :NH3+ -142:sc= 0.717! (180deg=-2.28!) USER MOD Single : A 111 SER OG : rot 138:sc= -0.114 USER MOD Single : A 115 LYS NZ :NH3+ -148:sc= 1.18 (180deg=0.611) USER MOD Single : A 116 GLN :FLIP amide:sc= -3.36 F(o=-6.2!,f=-3.4) USER MOD Single : A 121 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0574) USER MOD Single : A 122 LYS NZ :NH3+ 174:sc= 0.375 (180deg=0.333) USER MOD Single : A 126 HIS :FLIP no HD1:sc= -0.316 F(o=-3.3,f=-0.32) USER MOD Single : A 133 THR OG1 : rot 160:sc= -5.33! USER MOD Single : A 137 MET CE :methyl -159:sc= -0.562 (180deg=-1.13) USER MOD Single : A 138 SER OG : rot 180:sc= 0 USER MOD Single : A 140 SER OG : rot 80:sc= -0.533 USER MOD Single : A 142 SER OG : rot 180:sc= -0.0159 USER MOD Single : A 143 SER OG : rot 180:sc= 0.0224 USER MOD Single : A 145 THR OG1 : rot 180:sc= 0.0432 USER MOD Single : A 149 THR OG1 : rot 15:sc= 1.24 USER MOD Single : A 150 GLN : amide:sc= -4.4! C(o=-4.4!,f=-4.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 77 44.845 6.673 0.680 1.00 0.00 N ATOM 2 CA GLY A 77 45.049 6.181 -0.680 1.00 0.00 C ATOM 3 C GLY A 77 46.087 5.106 -0.685 1.00 0.00 C ATOM 4 O GLY A 77 46.708 4.864 0.350 1.00 0.00 O ATOM 0 HA2 GLY A 77 44.112 5.794 -1.080 1.00 0.00 H new ATOM 0 HA3 GLY A 77 45.359 7.000 -1.329 1.00 0.00 H new ATOM 10 N ALA A 78 46.287 4.462 -1.817 1.00 0.00 N ATOM 11 CA ALA A 78 47.249 3.385 -1.927 1.00 0.00 C ATOM 12 C ALA A 78 47.534 3.089 -3.390 1.00 0.00 C ATOM 13 O ALA A 78 47.048 3.813 -4.278 1.00 0.00 O ATOM 14 CB ALA A 78 46.717 2.130 -1.237 1.00 0.00 C ATOM 0 H ALA A 78 45.790 4.669 -2.683 1.00 0.00 H new ATOM 0 HA ALA A 78 48.174 3.691 -1.439 1.00 0.00 H new ATOM 0 HB1 ALA A 78 47.449 1.327 -1.327 1.00 0.00 H new ATOM 0 HB2 ALA A 78 46.538 2.342 -0.183 1.00 0.00 H new ATOM 0 HB3 ALA A 78 45.783 1.824 -1.709 1.00 0.00 H new ATOM 20 N MET A 79 48.378 2.085 -3.612 1.00 0.00 N ATOM 21 CA MET A 79 48.701 1.518 -4.932 1.00 0.00 C ATOM 22 C MET A 79 49.834 2.216 -5.683 1.00 0.00 C ATOM 23 O MET A 79 49.615 3.174 -6.431 1.00 0.00 O ATOM 24 CB MET A 79 47.464 1.269 -5.828 1.00 0.00 C ATOM 25 CG MET A 79 47.789 0.692 -7.202 1.00 0.00 C ATOM 26 SD MET A 79 48.675 -0.877 -7.105 1.00 0.00 S ATOM 27 CE MET A 79 48.924 -1.213 -8.844 1.00 0.00 C ATOM 0 H MET A 79 48.878 1.622 -2.853 1.00 0.00 H new ATOM 0 HA MET A 79 49.101 0.536 -4.681 1.00 0.00 H new ATOM 0 HB2 MET A 79 46.787 0.588 -5.312 1.00 0.00 H new ATOM 0 HB3 MET A 79 46.930 2.210 -5.959 1.00 0.00 H new ATOM 0 HG2 MET A 79 46.864 0.548 -7.760 1.00 0.00 H new ATOM 0 HG3 MET A 79 48.389 1.410 -7.761 1.00 0.00 H new ATOM 0 HE1 MET A 79 49.461 -2.154 -8.959 1.00 0.00 H new ATOM 0 HE2 MET A 79 47.957 -1.283 -9.343 1.00 0.00 H new ATOM 0 HE3 MET A 79 49.505 -0.406 -9.291 1.00 0.00 H new ATOM 37 N SER A 80 51.035 1.728 -5.403 1.00 0.00 N ATOM 38 CA SER A 80 52.302 2.025 -6.086 1.00 0.00 C ATOM 39 C SER A 80 52.581 3.489 -6.486 1.00 0.00 C ATOM 40 O SER A 80 52.053 4.006 -7.477 1.00 0.00 O ATOM 41 CB SER A 80 52.476 1.111 -7.262 1.00 0.00 C ATOM 42 OG SER A 80 52.250 -0.256 -6.887 1.00 0.00 O ATOM 0 H SER A 80 51.166 1.066 -4.639 1.00 0.00 H new ATOM 0 HA SER A 80 53.053 1.843 -5.317 1.00 0.00 H new ATOM 0 HB2 SER A 80 51.782 1.394 -8.054 1.00 0.00 H new ATOM 0 HB3 SER A 80 53.482 1.220 -7.666 1.00 0.00 H new ATOM 0 HG SER A 80 51.291 -0.454 -6.934 1.00 0.00 H new ATOM 48 N TYR A 81 53.462 4.107 -5.741 1.00 0.00 N ATOM 49 CA TYR A 81 53.891 5.483 -5.933 1.00 0.00 C ATOM 50 C TYR A 81 55.047 5.727 -5.011 1.00 0.00 C ATOM 51 O TYR A 81 55.437 4.831 -4.297 1.00 0.00 O ATOM 52 CB TYR A 81 52.753 6.461 -5.607 1.00 0.00 C ATOM 53 CG TYR A 81 51.995 6.095 -4.355 1.00 0.00 C ATOM 54 CD1 TYR A 81 52.531 6.269 -3.086 1.00 0.00 C ATOM 55 CD2 TYR A 81 50.749 5.546 -4.455 1.00 0.00 C ATOM 56 CE1 TYR A 81 51.828 5.906 -1.972 1.00 0.00 C ATOM 57 CE2 TYR A 81 50.043 5.191 -3.359 1.00 0.00 C ATOM 58 CZ TYR A 81 50.575 5.367 -2.116 1.00 0.00 C ATOM 59 OH TYR A 81 49.838 5.027 -1.013 1.00 0.00 O ATOM 0 H TYR A 81 53.922 3.654 -4.951 1.00 0.00 H new ATOM 0 HA TYR A 81 54.178 5.642 -6.973 1.00 0.00 H new ATOM 0 HB2 TYR A 81 53.165 7.464 -5.494 1.00 0.00 H new ATOM 0 HB3 TYR A 81 52.059 6.494 -6.447 1.00 0.00 H new ATOM 0 HD1 TYR A 81 53.517 6.697 -2.978 1.00 0.00 H new ATOM 0 HD2 TYR A 81 50.318 5.392 -5.433 1.00 0.00 H new ATOM 0 HE1 TYR A 81 52.254 6.042 -0.989 1.00 0.00 H new ATOM 0 HE2 TYR A 81 49.056 4.767 -3.468 1.00 0.00 H new ATOM 0 HH TYR A 81 49.032 5.583 -0.974 1.00 0.00 H new ATOM 69 N SER A 82 55.584 6.898 -5.006 1.00 0.00 N ATOM 70 CA SER A 82 56.622 7.203 -4.085 1.00 0.00 C ATOM 71 C SER A 82 55.960 7.759 -2.814 1.00 0.00 C ATOM 72 O SER A 82 54.929 8.444 -2.907 1.00 0.00 O ATOM 73 CB SER A 82 57.588 8.227 -4.685 1.00 0.00 C ATOM 74 OG SER A 82 58.718 8.438 -3.851 1.00 0.00 O ATOM 0 H SER A 82 55.321 7.661 -5.630 1.00 0.00 H new ATOM 0 HA SER A 82 57.202 6.310 -3.851 1.00 0.00 H new ATOM 0 HB2 SER A 82 57.919 7.884 -5.665 1.00 0.00 H new ATOM 0 HB3 SER A 82 57.067 9.172 -4.837 1.00 0.00 H new ATOM 0 HG SER A 82 58.893 7.629 -3.326 1.00 0.00 H new ATOM 80 N LEU A 83 56.517 7.471 -1.654 1.00 0.00 N ATOM 81 CA LEU A 83 55.909 7.902 -0.412 1.00 0.00 C ATOM 82 C LEU A 83 56.956 7.990 0.679 1.00 0.00 C ATOM 83 O LEU A 83 58.068 7.453 0.538 1.00 0.00 O ATOM 84 CB LEU A 83 54.860 6.863 0.022 1.00 0.00 C ATOM 85 CG LEU A 83 53.909 7.237 1.187 1.00 0.00 C ATOM 86 CD1 LEU A 83 52.909 8.287 0.789 1.00 0.00 C ATOM 87 CD2 LEU A 83 53.219 6.020 1.735 1.00 0.00 C ATOM 0 H LEU A 83 57.384 6.944 -1.546 1.00 0.00 H new ATOM 0 HA LEU A 83 55.450 8.879 -0.567 1.00 0.00 H new ATOM 0 HB2 LEU A 83 54.247 6.624 -0.847 1.00 0.00 H new ATOM 0 HB3 LEU A 83 55.388 5.951 0.301 1.00 0.00 H new ATOM 0 HG LEU A 83 54.527 7.665 1.976 1.00 0.00 H new ATOM 0 HD11 LEU A 83 52.265 8.516 1.638 1.00 0.00 H new ATOM 0 HD12 LEU A 83 53.434 9.190 0.478 1.00 0.00 H new ATOM 0 HD13 LEU A 83 52.302 7.917 -0.037 1.00 0.00 H new ATOM 0 HD21 LEU A 83 52.558 6.313 2.551 1.00 0.00 H new ATOM 0 HD22 LEU A 83 52.634 5.547 0.946 1.00 0.00 H new ATOM 0 HD23 LEU A 83 53.964 5.316 2.106 1.00 0.00 H new ATOM 99 N TYR A 84 56.603 8.692 1.724 1.00 0.00 N ATOM 100 CA TYR A 84 57.335 8.713 2.961 1.00 0.00 C ATOM 101 C TYR A 84 57.140 7.415 3.637 1.00 0.00 C ATOM 102 O TYR A 84 56.020 7.084 4.065 1.00 0.00 O ATOM 103 CB TYR A 84 56.831 9.839 3.837 1.00 0.00 C ATOM 104 CG TYR A 84 57.757 10.998 3.897 1.00 0.00 C ATOM 105 CD1 TYR A 84 58.360 11.485 2.760 1.00 0.00 C ATOM 106 CD2 TYR A 84 58.070 11.564 5.102 1.00 0.00 C ATOM 107 CE1 TYR A 84 59.263 12.532 2.831 1.00 0.00 C ATOM 108 CE2 TYR A 84 58.965 12.598 5.195 1.00 0.00 C ATOM 109 CZ TYR A 84 59.560 13.082 4.060 1.00 0.00 C ATOM 110 OH TYR A 84 60.477 14.108 4.158 1.00 0.00 O ATOM 0 H TYR A 84 55.772 9.283 1.737 1.00 0.00 H new ATOM 0 HA TYR A 84 58.396 8.876 2.769 1.00 0.00 H new ATOM 0 HB2 TYR A 84 55.864 10.175 3.464 1.00 0.00 H new ATOM 0 HB3 TYR A 84 56.669 9.460 4.846 1.00 0.00 H new ATOM 0 HD1 TYR A 84 58.126 11.046 1.802 1.00 0.00 H new ATOM 0 HD2 TYR A 84 57.602 11.188 6.000 1.00 0.00 H new ATOM 0 HE1 TYR A 84 59.729 12.913 1.935 1.00 0.00 H new ATOM 0 HE2 TYR A 84 59.200 13.029 6.157 1.00 0.00 H new ATOM 0 HH TYR A 84 60.566 14.378 5.096 1.00 0.00 H new ATOM 120 N GLY A 85 58.220 6.675 3.737 1.00 0.00 N ATOM 121 CA GLY A 85 58.176 5.371 4.269 1.00 0.00 C ATOM 122 C GLY A 85 57.613 5.271 5.588 1.00 0.00 C ATOM 123 O GLY A 85 56.893 4.341 5.872 1.00 0.00 O ATOM 0 H GLY A 85 59.148 6.980 3.445 1.00 0.00 H new ATOM 0 HA2 GLY A 85 57.598 4.739 3.595 1.00 0.00 H new ATOM 0 HA3 GLY A 85 59.189 4.970 4.291 1.00 0.00 H new ATOM 127 N THR A 86 57.940 6.223 6.378 1.00 0.00 N ATOM 128 CA THR A 86 57.490 6.374 7.752 1.00 0.00 C ATOM 129 C THR A 86 55.944 6.124 7.910 1.00 0.00 C ATOM 130 O THR A 86 55.486 5.827 9.006 1.00 0.00 O ATOM 131 CB THR A 86 57.871 7.805 8.256 1.00 0.00 C ATOM 132 OG1 THR A 86 57.530 8.008 9.627 1.00 0.00 O ATOM 133 CG2 THR A 86 57.199 8.859 7.419 1.00 0.00 C ATOM 0 H THR A 86 58.566 6.974 6.087 1.00 0.00 H new ATOM 0 HA THR A 86 57.988 5.617 8.358 1.00 0.00 H new ATOM 0 HB THR A 86 58.954 7.889 8.160 1.00 0.00 H new ATOM 0 HG1 THR A 86 58.340 7.962 10.176 1.00 0.00 H new ATOM 0 HG21 THR A 86 57.477 9.847 7.786 1.00 0.00 H new ATOM 0 HG22 THR A 86 57.515 8.755 6.381 1.00 0.00 H new ATOM 0 HG23 THR A 86 56.117 8.739 7.483 1.00 0.00 H new ATOM 141 N THR A 87 55.166 6.297 6.824 1.00 0.00 N ATOM 142 CA THR A 87 53.735 6.051 6.852 1.00 0.00 C ATOM 143 C THR A 87 53.332 4.631 6.349 1.00 0.00 C ATOM 144 O THR A 87 52.223 4.225 6.564 1.00 0.00 O ATOM 145 CB THR A 87 52.965 7.115 6.030 1.00 0.00 C ATOM 146 OG1 THR A 87 53.375 7.054 4.664 1.00 0.00 O ATOM 147 CG2 THR A 87 53.250 8.504 6.551 1.00 0.00 C ATOM 0 H THR A 87 55.519 6.608 5.919 1.00 0.00 H new ATOM 0 HA THR A 87 53.458 6.117 7.904 1.00 0.00 H new ATOM 0 HB THR A 87 51.899 6.907 6.119 1.00 0.00 H new ATOM 0 HG1 THR A 87 54.339 7.219 4.604 1.00 0.00 H new ATOM 0 HG21 THR A 87 52.699 9.235 5.959 1.00 0.00 H new ATOM 0 HG22 THR A 87 52.939 8.573 7.593 1.00 0.00 H new ATOM 0 HG23 THR A 87 54.318 8.708 6.477 1.00 0.00 H new ATOM 155 N LEU A 88 54.246 3.906 5.692 1.00 0.00 N ATOM 156 CA LEU A 88 53.972 2.616 4.959 1.00 0.00 C ATOM 157 C LEU A 88 53.110 1.577 5.658 1.00 0.00 C ATOM 158 O LEU A 88 52.399 0.818 4.975 1.00 0.00 O ATOM 159 CB LEU A 88 55.268 1.987 4.502 1.00 0.00 C ATOM 160 CG LEU A 88 55.568 2.036 3.010 1.00 0.00 C ATOM 161 CD1 LEU A 88 54.733 1.042 2.271 1.00 0.00 C ATOM 162 CD2 LEU A 88 55.273 3.397 2.467 1.00 0.00 C ATOM 0 H LEU A 88 55.225 4.187 5.641 1.00 0.00 H new ATOM 0 HA LEU A 88 53.355 2.936 4.119 1.00 0.00 H new ATOM 0 HB2 LEU A 88 56.087 2.476 5.029 1.00 0.00 H new ATOM 0 HB3 LEU A 88 55.267 0.943 4.814 1.00 0.00 H new ATOM 0 HG LEU A 88 56.624 1.800 2.875 1.00 0.00 H new ATOM 0 HD11 LEU A 88 54.963 1.093 1.207 1.00 0.00 H new ATOM 0 HD12 LEU A 88 54.948 0.039 2.641 1.00 0.00 H new ATOM 0 HD13 LEU A 88 53.678 1.267 2.426 1.00 0.00 H new ATOM 0 HD21 LEU A 88 55.492 3.418 1.399 1.00 0.00 H new ATOM 0 HD22 LEU A 88 54.221 3.632 2.626 1.00 0.00 H new ATOM 0 HD23 LEU A 88 55.891 4.135 2.979 1.00 0.00 H new ATOM 174 N GLU A 89 53.135 1.530 6.967 1.00 0.00 N ATOM 175 CA GLU A 89 52.320 0.577 7.708 1.00 0.00 C ATOM 176 C GLU A 89 50.831 0.859 7.442 1.00 0.00 C ATOM 177 O GLU A 89 49.987 -0.048 7.418 1.00 0.00 O ATOM 178 CB GLU A 89 52.625 0.628 9.217 1.00 0.00 C ATOM 179 CG GLU A 89 54.114 0.517 9.588 1.00 0.00 C ATOM 180 CD GLU A 89 54.787 1.858 9.716 1.00 0.00 C ATOM 181 OE1 GLU A 89 54.646 2.700 8.819 1.00 0.00 O ATOM 182 OE2 GLU A 89 55.421 2.109 10.766 1.00 0.00 O ATOM 0 H GLU A 89 53.710 2.139 7.550 1.00 0.00 H new ATOM 0 HA GLU A 89 52.563 -0.428 7.364 1.00 0.00 H new ATOM 0 HB2 GLU A 89 52.236 1.563 9.619 1.00 0.00 H new ATOM 0 HB3 GLU A 89 52.083 -0.180 9.709 1.00 0.00 H new ATOM 0 HG2 GLU A 89 54.209 -0.023 10.530 1.00 0.00 H new ATOM 0 HG3 GLU A 89 54.630 -0.072 8.829 1.00 0.00 H new ATOM 189 N GLN A 90 50.561 2.121 7.175 1.00 0.00 N ATOM 190 CA GLN A 90 49.255 2.650 6.847 1.00 0.00 C ATOM 191 C GLN A 90 48.768 2.187 5.482 1.00 0.00 C ATOM 192 O GLN A 90 47.568 1.996 5.277 1.00 0.00 O ATOM 193 CB GLN A 90 49.321 4.206 6.950 1.00 0.00 C ATOM 194 CG GLN A 90 48.591 5.055 5.879 1.00 0.00 C ATOM 195 CD GLN A 90 49.332 5.216 4.526 1.00 0.00 C ATOM 196 OE1 GLN A 90 48.705 5.318 3.489 1.00 0.00 O ATOM 197 NE2 GLN A 90 50.647 5.261 4.536 1.00 0.00 N ATOM 0 H GLN A 90 51.284 2.840 7.182 1.00 0.00 H new ATOM 0 HA GLN A 90 48.522 2.266 7.556 1.00 0.00 H new ATOM 0 HB2 GLN A 90 48.923 4.490 7.924 1.00 0.00 H new ATOM 0 HB3 GLN A 90 50.372 4.494 6.939 1.00 0.00 H new ATOM 0 HG2 GLN A 90 47.617 4.605 5.687 1.00 0.00 H new ATOM 0 HG3 GLN A 90 48.408 6.047 6.292 1.00 0.00 H new ATOM 0 HE21 GLN A 90 51.154 5.173 5.417 1.00 0.00 H new ATOM 0 HE22 GLN A 90 51.160 5.383 3.663 1.00 0.00 H new ATOM 206 N GLN A 91 49.681 1.976 4.571 1.00 0.00 N ATOM 207 CA GLN A 91 49.288 1.686 3.211 1.00 0.00 C ATOM 208 C GLN A 91 48.885 0.238 3.009 1.00 0.00 C ATOM 209 O GLN A 91 47.743 -0.055 2.667 1.00 0.00 O ATOM 210 CB GLN A 91 50.380 2.032 2.209 1.00 0.00 C ATOM 211 CG GLN A 91 49.872 1.961 0.776 1.00 0.00 C ATOM 212 CD GLN A 91 50.913 2.240 -0.258 1.00 0.00 C ATOM 213 OE1 GLN A 91 50.841 1.725 -1.377 1.00 0.00 O ATOM 214 NE2 GLN A 91 51.872 3.040 0.090 1.00 0.00 N ATOM 0 H GLN A 91 50.687 1.998 4.738 1.00 0.00 H new ATOM 0 HA GLN A 91 48.419 2.319 3.031 1.00 0.00 H new ATOM 0 HB2 GLN A 91 50.756 3.035 2.412 1.00 0.00 H new ATOM 0 HB3 GLN A 91 51.218 1.346 2.333 1.00 0.00 H new ATOM 0 HG2 GLN A 91 49.457 0.969 0.599 1.00 0.00 H new ATOM 0 HG3 GLN A 91 49.057 2.674 0.656 1.00 0.00 H new ATOM 0 HE21 GLN A 91 51.887 3.441 1.028 1.00 0.00 H new ATOM 0 HE22 GLN A 91 52.612 3.269 -0.574 1.00 0.00 H new ATOM 223 N TYR A 92 49.806 -0.660 3.241 1.00 0.00 N ATOM 224 CA TYR A 92 49.612 -2.044 2.871 1.00 0.00 C ATOM 225 C TYR A 92 48.808 -2.877 3.823 1.00 0.00 C ATOM 226 O TYR A 92 48.238 -3.891 3.412 1.00 0.00 O ATOM 227 CB TYR A 92 50.929 -2.703 2.567 1.00 0.00 C ATOM 228 CG TYR A 92 51.467 -2.207 1.282 1.00 0.00 C ATOM 229 CD1 TYR A 92 50.927 -2.636 0.090 1.00 0.00 C ATOM 230 CD2 TYR A 92 52.453 -1.265 1.253 1.00 0.00 C ATOM 231 CE1 TYR A 92 51.356 -2.124 -1.101 1.00 0.00 C ATOM 232 CE2 TYR A 92 52.907 -0.754 0.069 1.00 0.00 C ATOM 233 CZ TYR A 92 52.344 -1.182 -1.112 1.00 0.00 C ATOM 234 OH TYR A 92 52.750 -0.658 -2.303 1.00 0.00 O ATOM 0 H TYR A 92 50.702 -0.460 3.686 1.00 0.00 H new ATOM 0 HA TYR A 92 48.995 -1.996 1.974 1.00 0.00 H new ATOM 0 HB2 TYR A 92 51.639 -2.500 3.369 1.00 0.00 H new ATOM 0 HB3 TYR A 92 50.800 -3.784 2.522 1.00 0.00 H new ATOM 0 HD1 TYR A 92 50.153 -3.389 0.097 1.00 0.00 H new ATOM 0 HD2 TYR A 92 52.882 -0.917 2.181 1.00 0.00 H new ATOM 0 HE1 TYR A 92 50.917 -2.462 -2.028 1.00 0.00 H new ATOM 0 HE2 TYR A 92 53.700 -0.021 0.060 1.00 0.00 H new ATOM 0 HH TYR A 92 53.516 -1.168 -2.641 1.00 0.00 H new ATOM 244 N ASN A 93 48.763 -2.456 5.084 1.00 0.00 N ATOM 245 CA ASN A 93 48.145 -3.237 6.209 1.00 0.00 C ATOM 246 C ASN A 93 49.073 -4.379 6.564 1.00 0.00 C ATOM 247 O ASN A 93 48.763 -5.263 7.355 1.00 0.00 O ATOM 248 CB ASN A 93 46.708 -3.763 5.918 1.00 0.00 C ATOM 249 CG ASN A 93 45.669 -2.667 5.783 1.00 0.00 C ATOM 250 OD1 ASN A 93 45.433 -2.145 4.689 1.00 0.00 O ATOM 251 ND2 ASN A 93 45.025 -2.323 6.870 1.00 0.00 N ATOM 0 H ASN A 93 49.151 -1.560 5.380 1.00 0.00 H new ATOM 0 HA ASN A 93 48.023 -2.552 7.048 1.00 0.00 H new ATOM 0 HB2 ASN A 93 46.725 -4.349 4.999 1.00 0.00 H new ATOM 0 HB3 ASN A 93 46.409 -4.437 6.721 1.00 0.00 H new ATOM 0 HD21 ASN A 93 44.303 -1.603 6.829 1.00 0.00 H new ATOM 0 HD22 ASN A 93 45.245 -2.775 7.758 1.00 0.00 H new ATOM 258 N LYS A 94 50.216 -4.310 5.955 1.00 0.00 N ATOM 259 CA LYS A 94 51.293 -5.178 6.096 1.00 0.00 C ATOM 260 C LYS A 94 52.491 -4.218 5.995 1.00 0.00 C ATOM 261 O LYS A 94 52.721 -3.575 4.971 1.00 0.00 O ATOM 262 CB LYS A 94 51.188 -6.275 4.990 1.00 0.00 C ATOM 263 CG LYS A 94 51.917 -6.064 3.717 1.00 0.00 C ATOM 264 CD LYS A 94 53.271 -6.689 3.837 1.00 0.00 C ATOM 265 CE LYS A 94 53.297 -8.173 3.478 1.00 0.00 C ATOM 266 NZ LYS A 94 52.316 -9.019 4.201 1.00 0.00 N ATOM 0 H LYS A 94 50.414 -3.565 5.287 1.00 0.00 H new ATOM 0 HA LYS A 94 51.360 -5.753 7.019 1.00 0.00 H new ATOM 0 HB2 LYS A 94 51.536 -7.214 5.420 1.00 0.00 H new ATOM 0 HB3 LYS A 94 50.133 -6.405 4.751 1.00 0.00 H new ATOM 0 HG2 LYS A 94 51.367 -6.508 2.887 1.00 0.00 H new ATOM 0 HG3 LYS A 94 52.009 -4.999 3.505 1.00 0.00 H new ATOM 0 HD2 LYS A 94 53.966 -6.155 3.189 1.00 0.00 H new ATOM 0 HD3 LYS A 94 53.629 -6.565 4.859 1.00 0.00 H new ATOM 0 HE2 LYS A 94 53.119 -8.274 2.407 1.00 0.00 H new ATOM 0 HE3 LYS A 94 54.298 -8.559 3.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 52.469 -10.017 3.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 52.440 -8.895 5.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 51.351 -8.739 3.932 1.00 0.00 H new ATOM 280 N PRO A 95 53.134 -3.964 7.112 1.00 0.00 N ATOM 281 CA PRO A 95 54.174 -2.941 7.206 1.00 0.00 C ATOM 282 C PRO A 95 55.485 -3.380 6.611 1.00 0.00 C ATOM 283 O PRO A 95 55.604 -4.474 6.149 1.00 0.00 O ATOM 284 CB PRO A 95 54.338 -2.763 8.705 1.00 0.00 C ATOM 285 CG PRO A 95 53.985 -4.091 9.282 1.00 0.00 C ATOM 286 CD PRO A 95 52.918 -4.656 8.388 1.00 0.00 C ATOM 0 HA PRO A 95 53.898 -2.038 6.661 1.00 0.00 H new ATOM 0 HB2 PRO A 95 55.358 -2.478 8.961 1.00 0.00 H new ATOM 0 HB3 PRO A 95 53.683 -1.979 9.085 1.00 0.00 H new ATOM 0 HG2 PRO A 95 54.855 -4.747 9.315 1.00 0.00 H new ATOM 0 HG3 PRO A 95 53.624 -3.989 10.305 1.00 0.00 H new ATOM 0 HD2 PRO A 95 53.016 -5.736 8.280 1.00 0.00 H new ATOM 0 HD3 PRO A 95 51.921 -4.465 8.784 1.00 0.00 H new ATOM 294 N LEU A 96 56.479 -2.515 6.679 1.00 0.00 N ATOM 295 CA LEU A 96 57.848 -2.813 6.248 1.00 0.00 C ATOM 296 C LEU A 96 58.356 -4.016 6.974 1.00 0.00 C ATOM 297 O LEU A 96 58.968 -4.866 6.389 1.00 0.00 O ATOM 298 CB LEU A 96 58.738 -1.637 6.541 1.00 0.00 C ATOM 299 CG LEU A 96 58.469 -0.395 5.736 1.00 0.00 C ATOM 300 CD1 LEU A 96 57.542 0.497 6.448 1.00 0.00 C ATOM 301 CD2 LEU A 96 59.740 0.295 5.399 1.00 0.00 C ATOM 0 H LEU A 96 56.365 -1.568 7.040 1.00 0.00 H new ATOM 0 HA LEU A 96 57.850 -3.011 5.176 1.00 0.00 H new ATOM 0 HB2 LEU A 96 58.644 -1.389 7.598 1.00 0.00 H new ATOM 0 HB3 LEU A 96 59.772 -1.938 6.375 1.00 0.00 H new ATOM 0 HG LEU A 96 57.992 -0.685 4.800 1.00 0.00 H new ATOM 0 HD11 LEU A 96 57.362 1.389 5.848 1.00 0.00 H new ATOM 0 HD12 LEU A 96 56.599 -0.021 6.620 1.00 0.00 H new ATOM 0 HD13 LEU A 96 57.977 0.786 7.405 1.00 0.00 H new ATOM 0 HD21 LEU A 96 59.524 1.191 4.817 1.00 0.00 H new ATOM 0 HD22 LEU A 96 60.257 0.575 6.317 1.00 0.00 H new ATOM 0 HD23 LEU A 96 60.373 -0.373 4.815 1.00 0.00 H new ATOM 313 N SER A 97 58.004 -4.123 8.234 1.00 0.00 N ATOM 314 CA SER A 97 58.373 -5.249 9.074 1.00 0.00 C ATOM 315 C SER A 97 57.784 -6.585 8.519 1.00 0.00 C ATOM 316 O SER A 97 58.186 -7.675 8.921 1.00 0.00 O ATOM 317 CB SER A 97 57.870 -4.972 10.514 1.00 0.00 C ATOM 318 OG SER A 97 58.261 -5.976 11.431 1.00 0.00 O ATOM 0 H SER A 97 57.444 -3.420 8.717 1.00 0.00 H new ATOM 0 HA SER A 97 59.457 -5.361 9.079 1.00 0.00 H new ATOM 0 HB2 SER A 97 58.255 -4.009 10.850 1.00 0.00 H new ATOM 0 HB3 SER A 97 56.783 -4.896 10.506 1.00 0.00 H new ATOM 0 HG SER A 97 57.921 -5.755 12.323 1.00 0.00 H new ATOM 324 N ASP A 98 56.838 -6.485 7.605 1.00 0.00 N ATOM 325 CA ASP A 98 56.179 -7.649 7.050 1.00 0.00 C ATOM 326 C ASP A 98 56.331 -7.705 5.513 1.00 0.00 C ATOM 327 O ASP A 98 56.189 -8.760 4.906 1.00 0.00 O ATOM 328 CB ASP A 98 54.702 -7.573 7.420 1.00 0.00 C ATOM 329 CG ASP A 98 53.906 -8.828 7.139 1.00 0.00 C ATOM 330 OD1 ASP A 98 54.425 -9.950 7.308 1.00 0.00 O ATOM 331 OD2 ASP A 98 52.732 -8.704 6.756 1.00 0.00 O ATOM 0 H ASP A 98 56.506 -5.597 7.228 1.00 0.00 H new ATOM 0 HA ASP A 98 56.637 -8.551 7.457 1.00 0.00 H new ATOM 0 HB2 ASP A 98 54.621 -7.340 8.482 1.00 0.00 H new ATOM 0 HB3 ASP A 98 54.249 -6.744 6.876 1.00 0.00 H new ATOM 336 N LEU A 99 56.656 -6.571 4.899 1.00 0.00 N ATOM 337 CA LEU A 99 56.650 -6.429 3.450 1.00 0.00 C ATOM 338 C LEU A 99 58.031 -6.709 2.914 1.00 0.00 C ATOM 339 O LEU A 99 59.018 -6.230 3.497 1.00 0.00 O ATOM 340 CB LEU A 99 56.239 -4.967 3.129 1.00 0.00 C ATOM 341 CG LEU A 99 56.016 -4.552 1.661 1.00 0.00 C ATOM 342 CD1 LEU A 99 54.728 -5.118 1.126 1.00 0.00 C ATOM 343 CD2 LEU A 99 56.029 -3.048 1.533 1.00 0.00 C ATOM 0 H LEU A 99 56.931 -5.724 5.395 1.00 0.00 H new ATOM 0 HA LEU A 99 55.953 -7.129 2.990 1.00 0.00 H new ATOM 0 HB2 LEU A 99 55.317 -4.759 3.672 1.00 0.00 H new ATOM 0 HB3 LEU A 99 57.007 -4.313 3.542 1.00 0.00 H new ATOM 0 HG LEU A 99 56.833 -4.960 1.066 1.00 0.00 H new ATOM 0 HD11 LEU A 99 54.598 -4.809 0.089 1.00 0.00 H new ATOM 0 HD12 LEU A 99 54.759 -6.206 1.179 1.00 0.00 H new ATOM 0 HD13 LEU A 99 53.893 -4.749 1.722 1.00 0.00 H new ATOM 0 HD21 LEU A 99 55.870 -2.770 0.491 1.00 0.00 H new ATOM 0 HD22 LEU A 99 55.234 -2.624 2.147 1.00 0.00 H new ATOM 0 HD23 LEU A 99 56.992 -2.663 1.869 1.00 0.00 H new ATOM 355 N LEU A 100 58.132 -7.520 1.855 1.00 0.00 N ATOM 356 CA LEU A 100 59.418 -7.735 1.240 1.00 0.00 C ATOM 357 C LEU A 100 59.772 -6.423 0.616 1.00 0.00 C ATOM 358 O LEU A 100 59.017 -5.855 -0.153 1.00 0.00 O ATOM 359 CB LEU A 100 59.398 -8.821 0.179 1.00 0.00 C ATOM 360 CG LEU A 100 60.744 -9.568 -0.116 1.00 0.00 C ATOM 361 CD1 LEU A 100 60.590 -10.492 -1.294 1.00 0.00 C ATOM 362 CD2 LEU A 100 61.917 -8.631 -0.365 1.00 0.00 C ATOM 0 H LEU A 100 57.354 -8.020 1.425 1.00 0.00 H new ATOM 0 HA LEU A 100 60.140 -8.071 1.984 1.00 0.00 H new ATOM 0 HB2 LEU A 100 58.658 -9.565 0.473 1.00 0.00 H new ATOM 0 HB3 LEU A 100 59.049 -8.375 -0.753 1.00 0.00 H new ATOM 0 HG LEU A 100 60.970 -10.137 0.786 1.00 0.00 H new ATOM 0 HD11 LEU A 100 61.535 -11.001 -1.483 1.00 0.00 H new ATOM 0 HD12 LEU A 100 59.817 -11.230 -1.079 1.00 0.00 H new ATOM 0 HD13 LEU A 100 60.306 -9.915 -2.174 1.00 0.00 H new ATOM 0 HD21 LEU A 100 62.815 -9.217 -0.562 1.00 0.00 H new ATOM 0 HD22 LEU A 100 61.701 -7.998 -1.225 1.00 0.00 H new ATOM 0 HD23 LEU A 100 62.077 -8.007 0.514 1.00 0.00 H new ATOM 374 N ILE A 101 60.858 -5.938 0.968 1.00 0.00 N ATOM 375 CA ILE A 101 61.225 -4.650 0.615 1.00 0.00 C ATOM 376 C ILE A 101 62.681 -4.653 0.169 1.00 0.00 C ATOM 377 O ILE A 101 63.479 -5.329 0.766 1.00 0.00 O ATOM 378 CB ILE A 101 60.959 -3.833 1.862 1.00 0.00 C ATOM 379 CG1 ILE A 101 59.710 -3.010 1.664 1.00 0.00 C ATOM 380 CG2 ILE A 101 62.152 -3.001 2.296 1.00 0.00 C ATOM 381 CD1 ILE A 101 59.179 -2.373 2.866 1.00 0.00 C ATOM 0 H ILE A 101 61.549 -6.435 1.530 1.00 0.00 H new ATOM 0 HA ILE A 101 60.673 -4.230 -0.226 1.00 0.00 H new ATOM 0 HB ILE A 101 60.793 -4.520 2.692 1.00 0.00 H new ATOM 0 HG12 ILE A 101 59.919 -2.236 0.926 1.00 0.00 H new ATOM 0 HG13 ILE A 101 58.936 -3.652 1.242 1.00 0.00 H new ATOM 0 HG21 ILE A 101 61.896 -2.439 3.195 1.00 0.00 H new ATOM 0 HG22 ILE A 101 62.996 -3.658 2.506 1.00 0.00 H new ATOM 0 HG23 ILE A 101 62.421 -2.308 1.499 1.00 0.00 H new ATOM 0 HD11 ILE A 101 58.283 -1.807 2.612 1.00 0.00 H new ATOM 0 HD12 ILE A 101 58.930 -3.137 3.603 1.00 0.00 H new ATOM 0 HD13 ILE A 101 59.928 -1.699 3.282 1.00 0.00 H new ATOM 393 N ARG A 102 63.025 -3.939 -0.899 1.00 0.00 N ATOM 394 CA ARG A 102 64.402 -4.013 -1.433 1.00 0.00 C ATOM 395 C ARG A 102 64.909 -2.687 -1.872 1.00 0.00 C ATOM 396 O ARG A 102 64.144 -1.807 -2.165 1.00 0.00 O ATOM 397 CB ARG A 102 64.490 -4.990 -2.631 1.00 0.00 C ATOM 398 CG ARG A 102 64.126 -6.424 -2.319 1.00 0.00 C ATOM 399 CD ARG A 102 63.959 -7.298 -3.550 1.00 0.00 C ATOM 400 NE ARG A 102 63.700 -8.696 -3.169 1.00 0.00 N ATOM 401 CZ ARG A 102 63.199 -9.650 -3.967 1.00 0.00 C ATOM 402 NH1 ARG A 102 62.824 -9.372 -5.207 1.00 0.00 N ATOM 403 NH2 ARG A 102 63.076 -10.892 -3.505 1.00 0.00 N ATOM 0 H ARG A 102 62.397 -3.316 -1.407 1.00 0.00 H new ATOM 0 HA ARG A 102 65.021 -4.374 -0.611 1.00 0.00 H new ATOM 0 HB2 ARG A 102 63.834 -4.629 -3.423 1.00 0.00 H new ATOM 0 HB3 ARG A 102 65.506 -4.967 -3.024 1.00 0.00 H new ATOM 0 HG2 ARG A 102 64.899 -6.854 -1.682 1.00 0.00 H new ATOM 0 HG3 ARG A 102 63.198 -6.437 -1.748 1.00 0.00 H new ATOM 0 HD2 ARG A 102 63.135 -6.924 -4.158 1.00 0.00 H new ATOM 0 HD3 ARG A 102 64.858 -7.245 -4.164 1.00 0.00 H new ATOM 0 HE ARG A 102 63.922 -8.964 -2.210 1.00 0.00 H new ATOM 0 HH11 ARG A 102 62.915 -8.422 -5.566 1.00 0.00 H new ATOM 0 HH12 ARG A 102 62.445 -10.108 -5.802 1.00 0.00 H new ATOM 0 HH21 ARG A 102 63.362 -11.112 -2.551 1.00 0.00 H new ATOM 0 HH22 ARG A 102 62.696 -11.624 -4.105 1.00 0.00 H new ATOM 417 N CYS A 103 66.233 -2.565 -1.887 1.00 0.00 N ATOM 418 CA CYS A 103 66.896 -1.443 -2.417 1.00 0.00 C ATOM 419 C CYS A 103 66.446 -1.231 -3.896 1.00 0.00 C ATOM 420 O CYS A 103 66.092 -2.190 -4.582 1.00 0.00 O ATOM 421 CB CYS A 103 68.373 -1.691 -2.410 1.00 0.00 C ATOM 422 SG CYS A 103 69.315 -0.117 -2.411 1.00 0.00 S ATOM 0 H CYS A 103 66.863 -3.276 -1.515 1.00 0.00 H new ATOM 0 HA CYS A 103 66.656 -0.566 -1.816 1.00 0.00 H new ATOM 0 HB2 CYS A 103 68.641 -2.277 -1.531 1.00 0.00 H new ATOM 0 HB3 CYS A 103 68.648 -2.282 -3.283 1.00 0.00 H new ATOM 427 N ILE A 104 66.496 -0.032 -4.371 1.00 0.00 N ATOM 428 CA ILE A 104 66.043 0.281 -5.703 1.00 0.00 C ATOM 429 C ILE A 104 67.155 0.104 -6.700 1.00 0.00 C ATOM 430 O ILE A 104 66.967 -0.370 -7.816 1.00 0.00 O ATOM 431 CB ILE A 104 65.424 1.708 -5.743 1.00 0.00 C ATOM 432 CG1 ILE A 104 64.618 1.895 -6.992 1.00 0.00 C ATOM 433 CG2 ILE A 104 66.462 2.778 -5.648 1.00 0.00 C ATOM 434 CD1 ILE A 104 63.622 2.964 -6.843 1.00 0.00 C ATOM 0 H ILE A 104 66.853 0.770 -3.851 1.00 0.00 H new ATOM 0 HA ILE A 104 65.256 -0.418 -5.986 1.00 0.00 H new ATOM 0 HB ILE A 104 64.775 1.797 -4.872 1.00 0.00 H new ATOM 0 HG12 ILE A 104 65.284 2.131 -7.822 1.00 0.00 H new ATOM 0 HG13 ILE A 104 64.115 0.961 -7.243 1.00 0.00 H new ATOM 0 HG21 ILE A 104 65.981 3.756 -5.680 1.00 0.00 H new ATOM 0 HG22 ILE A 104 67.008 2.673 -4.711 1.00 0.00 H new ATOM 0 HG23 ILE A 104 67.156 2.687 -6.484 1.00 0.00 H new ATOM 0 HD11 ILE A 104 63.058 3.068 -7.770 1.00 0.00 H new ATOM 0 HD12 ILE A 104 62.940 2.715 -6.030 1.00 0.00 H new ATOM 0 HD13 ILE A 104 64.127 3.903 -6.618 1.00 0.00 H new ATOM 446 N ASN A 105 68.323 0.424 -6.239 1.00 0.00 N ATOM 447 CA ASN A 105 69.540 0.306 -6.987 1.00 0.00 C ATOM 448 C ASN A 105 70.216 -0.991 -6.636 1.00 0.00 C ATOM 449 O ASN A 105 71.011 -1.493 -7.425 1.00 0.00 O ATOM 450 CB ASN A 105 70.499 1.477 -6.687 1.00 0.00 C ATOM 451 CG ASN A 105 70.025 2.309 -5.604 1.00 0.00 C ATOM 452 OD1 ASN A 105 70.098 1.742 -4.493 1.00 0.00 O flip ATOM 453 ND2 ASN A 105 69.503 3.412 -5.777 1.00 0.00 N flip ATOM 0 H ASN A 105 68.463 0.788 -5.297 1.00 0.00 H new ATOM 0 HA ASN A 105 69.292 0.330 -8.048 1.00 0.00 H new ATOM 0 HB2 ASN A 105 71.483 1.082 -6.435 1.00 0.00 H new ATOM 0 HB3 ASN A 105 70.619 2.085 -7.584 1.00 0.00 H new ATOM 0 HD21 ASN A 105 69.475 3.822 -6.710 1.00 0.00 H new ATOM 0 HD22 ASN A 105 69.099 3.915 -4.987 1.00 0.00 H new ATOM 460 N CYS A 106 69.921 -1.569 -5.442 1.00 0.00 N ATOM 461 CA CYS A 106 70.529 -2.852 -5.139 1.00 0.00 C ATOM 462 C CYS A 106 69.651 -4.022 -5.498 1.00 0.00 C ATOM 463 O CYS A 106 70.151 -5.046 -5.916 1.00 0.00 O ATOM 464 CB CYS A 106 70.995 -3.091 -3.688 1.00 0.00 C ATOM 465 SG CYS A 106 72.382 -2.143 -3.064 1.00 0.00 S ATOM 0 H CYS A 106 69.304 -1.183 -4.727 1.00 0.00 H new ATOM 0 HA CYS A 106 71.418 -2.791 -5.766 1.00 0.00 H new ATOM 0 HB2 CYS A 106 70.145 -2.904 -3.032 1.00 0.00 H new ATOM 0 HB3 CYS A 106 71.246 -4.147 -3.591 1.00 0.00 H new ATOM 470 N GLN A 107 68.341 -3.874 -5.264 1.00 0.00 N ATOM 471 CA GLN A 107 67.367 -4.953 -5.371 1.00 0.00 C ATOM 472 C GLN A 107 67.580 -5.976 -4.277 1.00 0.00 C ATOM 473 O GLN A 107 67.109 -7.120 -4.321 1.00 0.00 O ATOM 474 CB GLN A 107 67.346 -5.570 -6.707 1.00 0.00 C ATOM 475 CG GLN A 107 66.874 -4.616 -7.733 1.00 0.00 C ATOM 476 CD GLN A 107 67.998 -4.174 -8.650 1.00 0.00 C ATOM 477 OE1 GLN A 107 68.281 -4.803 -9.656 1.00 0.00 O ATOM 478 NE2 GLN A 107 68.606 -3.076 -8.328 1.00 0.00 N ATOM 0 H GLN A 107 67.927 -2.983 -4.991 1.00 0.00 H new ATOM 0 HA GLN A 107 66.380 -4.512 -5.233 1.00 0.00 H new ATOM 0 HB2 GLN A 107 68.346 -5.919 -6.964 1.00 0.00 H new ATOM 0 HB3 GLN A 107 66.697 -6.445 -6.695 1.00 0.00 H new ATOM 0 HG2 GLN A 107 66.084 -5.079 -8.324 1.00 0.00 H new ATOM 0 HG3 GLN A 107 66.438 -3.744 -7.245 1.00 0.00 H new ATOM 0 HE21 GLN A 107 68.342 -2.577 -7.478 1.00 0.00 H new ATOM 0 HE22 GLN A 107 69.349 -2.711 -8.924 1.00 0.00 H new ATOM 487 N LYS A 108 68.266 -5.512 -3.285 1.00 0.00 N ATOM 488 CA LYS A 108 68.580 -6.213 -2.097 1.00 0.00 C ATOM 489 C LYS A 108 67.526 -5.918 -1.107 1.00 0.00 C ATOM 490 O LYS A 108 67.251 -4.768 -0.850 1.00 0.00 O ATOM 491 CB LYS A 108 69.836 -5.638 -1.570 1.00 0.00 C ATOM 492 CG LYS A 108 70.208 -6.159 -0.240 1.00 0.00 C ATOM 493 CD LYS A 108 71.174 -5.256 0.424 1.00 0.00 C ATOM 494 CE LYS A 108 70.475 -4.061 1.027 1.00 0.00 C ATOM 495 NZ LYS A 108 71.457 -3.215 1.712 1.00 0.00 N ATOM 0 H LYS A 108 68.646 -4.565 -3.290 1.00 0.00 H new ATOM 0 HA LYS A 108 68.666 -7.284 -2.282 1.00 0.00 H new ATOM 0 HB2 LYS A 108 70.644 -5.845 -2.272 1.00 0.00 H new ATOM 0 HB3 LYS A 108 69.734 -4.554 -1.512 1.00 0.00 H new ATOM 0 HG2 LYS A 108 69.316 -6.263 0.378 1.00 0.00 H new ATOM 0 HG3 LYS A 108 70.643 -7.153 -0.342 1.00 0.00 H new ATOM 0 HD2 LYS A 108 71.709 -5.800 1.203 1.00 0.00 H new ATOM 0 HD3 LYS A 108 71.918 -4.920 -0.298 1.00 0.00 H new ATOM 0 HE2 LYS A 108 69.969 -3.491 0.248 1.00 0.00 H new ATOM 0 HE3 LYS A 108 69.710 -4.390 1.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 71.038 -2.834 2.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 72.297 -3.781 1.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 71.734 -2.430 1.089 1.00 0.00 H new ATOM 509 N PRO A 109 66.941 -6.918 -0.537 1.00 0.00 N ATOM 510 CA PRO A 109 65.928 -6.731 0.442 1.00 0.00 C ATOM 511 C PRO A 109 66.463 -6.095 1.735 1.00 0.00 C ATOM 512 O PRO A 109 67.302 -6.659 2.429 1.00 0.00 O ATOM 513 CB PRO A 109 65.329 -8.104 0.667 1.00 0.00 C ATOM 514 CG PRO A 109 66.109 -9.049 -0.200 1.00 0.00 C ATOM 515 CD PRO A 109 67.237 -8.309 -0.799 1.00 0.00 C ATOM 0 HA PRO A 109 65.173 -6.023 0.101 1.00 0.00 H new ATOM 0 HB2 PRO A 109 65.398 -8.391 1.716 1.00 0.00 H new ATOM 0 HB3 PRO A 109 64.272 -8.116 0.402 1.00 0.00 H new ATOM 0 HG2 PRO A 109 66.477 -9.889 0.390 1.00 0.00 H new ATOM 0 HG3 PRO A 109 65.470 -9.463 -0.980 1.00 0.00 H new ATOM 0 HD2 PRO A 109 68.186 -8.603 -0.352 1.00 0.00 H new ATOM 0 HD3 PRO A 109 67.315 -8.503 -1.869 1.00 0.00 H new ATOM 523 N LEU A 110 65.964 -4.918 2.011 1.00 0.00 N ATOM 524 CA LEU A 110 66.363 -4.097 3.137 1.00 0.00 C ATOM 525 C LEU A 110 65.676 -4.592 4.348 1.00 0.00 C ATOM 526 O LEU A 110 64.481 -4.914 4.326 1.00 0.00 O ATOM 527 CB LEU A 110 65.968 -2.641 2.870 1.00 0.00 C ATOM 528 CG LEU A 110 66.272 -2.089 1.496 1.00 0.00 C ATOM 529 CD1 LEU A 110 66.009 -0.612 1.467 1.00 0.00 C ATOM 530 CD2 LEU A 110 67.688 -2.355 1.149 1.00 0.00 C ATOM 0 H LEU A 110 65.240 -4.484 1.438 1.00 0.00 H new ATOM 0 HA LEU A 110 67.442 -4.150 3.279 1.00 0.00 H new ATOM 0 HB2 LEU A 110 64.897 -2.543 3.045 1.00 0.00 H new ATOM 0 HB3 LEU A 110 66.470 -2.013 3.606 1.00 0.00 H new ATOM 0 HG LEU A 110 65.627 -2.579 0.766 1.00 0.00 H new ATOM 0 HD11 LEU A 110 66.231 -0.222 0.473 1.00 0.00 H new ATOM 0 HD12 LEU A 110 64.962 -0.424 1.705 1.00 0.00 H new ATOM 0 HD13 LEU A 110 66.643 -0.115 2.201 1.00 0.00 H new ATOM 0 HD21 LEU A 110 67.901 -1.955 0.158 1.00 0.00 H new ATOM 0 HD22 LEU A 110 68.338 -1.876 1.881 1.00 0.00 H new ATOM 0 HD23 LEU A 110 67.868 -3.430 1.153 1.00 0.00 H new ATOM 542 N SER A 111 66.423 -4.706 5.365 1.00 0.00 N ATOM 543 CA SER A 111 65.947 -5.132 6.631 1.00 0.00 C ATOM 544 C SER A 111 65.552 -3.876 7.425 1.00 0.00 C ATOM 545 O SER A 111 65.701 -2.758 6.875 1.00 0.00 O ATOM 546 CB SER A 111 67.047 -5.996 7.278 1.00 0.00 C ATOM 547 OG SER A 111 68.327 -5.478 6.983 1.00 0.00 O ATOM 0 H SER A 111 67.422 -4.500 5.350 1.00 0.00 H new ATOM 0 HA SER A 111 65.056 -5.758 6.582 1.00 0.00 H new ATOM 0 HB2 SER A 111 66.903 -6.029 8.358 1.00 0.00 H new ATOM 0 HB3 SER A 111 66.972 -7.021 6.915 1.00 0.00 H new ATOM 0 HG SER A 111 68.886 -5.510 7.787 1.00 0.00 H new ATOM 553 N PRO A 112 65.000 -3.991 8.683 1.00 0.00 N ATOM 554 CA PRO A 112 64.578 -2.822 9.487 1.00 0.00 C ATOM 555 C PRO A 112 65.610 -1.697 9.503 1.00 0.00 C ATOM 556 O PRO A 112 65.240 -0.545 9.548 1.00 0.00 O ATOM 557 CB PRO A 112 64.392 -3.407 10.880 1.00 0.00 C ATOM 558 CG PRO A 112 63.922 -4.787 10.615 1.00 0.00 C ATOM 559 CD PRO A 112 64.697 -5.256 9.414 1.00 0.00 C ATOM 0 HA PRO A 112 63.682 -2.355 9.078 1.00 0.00 H new ATOM 0 HB2 PRO A 112 65.324 -3.402 11.445 1.00 0.00 H new ATOM 0 HB3 PRO A 112 63.664 -2.839 11.460 1.00 0.00 H new ATOM 0 HG2 PRO A 112 64.101 -5.434 11.474 1.00 0.00 H new ATOM 0 HG3 PRO A 112 62.850 -4.805 10.421 1.00 0.00 H new ATOM 0 HD2 PRO A 112 65.607 -5.781 9.703 1.00 0.00 H new ATOM 0 HD3 PRO A 112 64.113 -5.944 8.802 1.00 0.00 H new ATOM 567 N GLU A 113 66.885 -2.054 9.402 1.00 0.00 N ATOM 568 CA GLU A 113 67.987 -1.092 9.349 1.00 0.00 C ATOM 569 C GLU A 113 67.804 -0.064 8.229 1.00 0.00 C ATOM 570 O GLU A 113 67.903 1.139 8.452 1.00 0.00 O ATOM 571 CB GLU A 113 69.325 -1.832 9.188 1.00 0.00 C ATOM 572 CG GLU A 113 69.376 -2.826 8.016 1.00 0.00 C ATOM 573 CD GLU A 113 70.599 -3.691 8.064 1.00 0.00 C ATOM 574 OE1 GLU A 113 71.665 -3.298 7.559 1.00 0.00 O ATOM 575 OE2 GLU A 113 70.508 -4.799 8.638 1.00 0.00 O ATOM 0 H GLU A 113 67.189 -3.027 9.354 1.00 0.00 H new ATOM 0 HA GLU A 113 67.989 -0.542 10.290 1.00 0.00 H new ATOM 0 HB2 GLU A 113 70.118 -1.096 9.056 1.00 0.00 H new ATOM 0 HB3 GLU A 113 69.540 -2.370 10.111 1.00 0.00 H new ATOM 0 HG2 GLU A 113 68.486 -3.455 8.036 1.00 0.00 H new ATOM 0 HG3 GLU A 113 69.357 -2.277 7.074 1.00 0.00 H new ATOM 582 N GLU A 114 67.494 -0.532 7.049 1.00 0.00 N ATOM 583 CA GLU A 114 67.388 0.320 5.914 1.00 0.00 C ATOM 584 C GLU A 114 65.967 0.812 5.730 1.00 0.00 C ATOM 585 O GLU A 114 65.736 1.904 5.246 1.00 0.00 O ATOM 586 CB GLU A 114 67.948 -0.446 4.777 1.00 0.00 C ATOM 587 CG GLU A 114 69.426 -0.615 4.955 1.00 0.00 C ATOM 588 CD GLU A 114 70.016 -1.786 4.261 1.00 0.00 C ATOM 589 OE1 GLU A 114 69.373 -2.833 4.157 1.00 0.00 O ATOM 590 OE2 GLU A 114 71.169 -1.679 3.811 1.00 0.00 O ATOM 0 H GLU A 114 67.309 -1.517 6.857 1.00 0.00 H new ATOM 0 HA GLU A 114 67.955 1.245 6.021 1.00 0.00 H new ATOM 0 HB2 GLU A 114 67.467 -1.422 4.712 1.00 0.00 H new ATOM 0 HB3 GLU A 114 67.743 0.073 3.841 1.00 0.00 H new ATOM 0 HG2 GLU A 114 69.924 0.287 4.599 1.00 0.00 H new ATOM 0 HG3 GLU A 114 69.640 -0.698 6.020 1.00 0.00 H new ATOM 597 N LYS A 115 65.032 0.026 6.205 1.00 0.00 N ATOM 598 CA LYS A 115 63.619 0.411 6.279 1.00 0.00 C ATOM 599 C LYS A 115 63.461 1.613 7.170 1.00 0.00 C ATOM 600 O LYS A 115 62.733 2.540 6.857 1.00 0.00 O ATOM 601 CB LYS A 115 62.849 -0.744 6.877 1.00 0.00 C ATOM 602 CG LYS A 115 62.627 -1.883 5.915 1.00 0.00 C ATOM 603 CD LYS A 115 62.006 -3.144 6.538 1.00 0.00 C ATOM 604 CE LYS A 115 61.707 -4.143 5.449 1.00 0.00 C ATOM 605 NZ LYS A 115 61.512 -5.538 5.937 1.00 0.00 N ATOM 0 H LYS A 115 65.219 -0.912 6.558 1.00 0.00 H new ATOM 0 HA LYS A 115 63.248 0.653 5.283 1.00 0.00 H new ATOM 0 HB2 LYS A 115 63.387 -1.116 7.749 1.00 0.00 H new ATOM 0 HB3 LYS A 115 61.883 -0.383 7.228 1.00 0.00 H new ATOM 0 HG2 LYS A 115 61.980 -1.538 5.108 1.00 0.00 H new ATOM 0 HG3 LYS A 115 63.583 -2.151 5.465 1.00 0.00 H new ATOM 0 HD2 LYS A 115 62.690 -3.578 7.267 1.00 0.00 H new ATOM 0 HD3 LYS A 115 61.091 -2.887 7.072 1.00 0.00 H new ATOM 0 HE2 LYS A 115 60.809 -3.827 4.918 1.00 0.00 H new ATOM 0 HE3 LYS A 115 62.524 -4.133 4.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 61.843 -6.208 5.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 62.054 -5.678 6.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 60.502 -5.702 6.125 1.00 0.00 H new ATOM 619 N GLN A 116 64.212 1.618 8.253 1.00 0.00 N ATOM 620 CA GLN A 116 64.165 2.673 9.244 1.00 0.00 C ATOM 621 C GLN A 116 64.745 3.921 8.730 1.00 0.00 C ATOM 622 O GLN A 116 64.604 4.961 9.321 1.00 0.00 O ATOM 623 CB GLN A 116 64.837 2.240 10.526 1.00 0.00 C ATOM 624 CG GLN A 116 63.913 2.177 11.754 1.00 0.00 C ATOM 625 CD GLN A 116 62.538 1.520 11.496 1.00 0.00 C ATOM 626 OE1 GLN A 116 62.426 0.742 10.453 1.00 0.00 O flip ATOM 627 NE2 GLN A 116 61.569 1.808 12.191 1.00 0.00 N flip ATOM 0 H GLN A 116 64.881 0.880 8.472 1.00 0.00 H new ATOM 0 HA GLN A 116 63.117 2.872 9.467 1.00 0.00 H new ATOM 0 HB2 GLN A 116 65.280 1.256 10.372 1.00 0.00 H new ATOM 0 HB3 GLN A 116 65.655 2.928 10.740 1.00 0.00 H new ATOM 0 HG2 GLN A 116 64.421 1.626 12.546 1.00 0.00 H new ATOM 0 HG3 GLN A 116 63.753 3.190 12.123 1.00 0.00 H new ATOM 0 HE21 GLN A 116 61.685 2.418 13.000 1.00 0.00 H new ATOM 0 HE22 GLN A 116 60.647 1.437 11.960 1.00 0.00 H new ATOM 636 N ARG A 117 65.371 3.837 7.620 1.00 0.00 N ATOM 637 CA ARG A 117 65.918 5.018 7.041 1.00 0.00 C ATOM 638 C ARG A 117 64.786 5.778 6.386 1.00 0.00 C ATOM 639 O ARG A 117 64.719 6.999 6.421 1.00 0.00 O ATOM 640 CB ARG A 117 66.982 4.707 6.030 1.00 0.00 C ATOM 641 CG ARG A 117 68.049 5.731 6.067 1.00 0.00 C ATOM 642 CD ARG A 117 69.133 5.420 5.120 1.00 0.00 C ATOM 643 NE ARG A 117 70.270 6.349 5.303 1.00 0.00 N ATOM 644 CZ ARG A 117 71.285 6.192 6.167 1.00 0.00 C ATOM 645 NH1 ARG A 117 71.316 5.151 6.996 1.00 0.00 N ATOM 646 NH2 ARG A 117 72.235 7.115 6.233 1.00 0.00 N ATOM 0 H ARG A 117 65.521 2.977 7.092 1.00 0.00 H new ATOM 0 HA ARG A 117 66.390 5.614 7.822 1.00 0.00 H new ATOM 0 HB2 ARG A 117 67.407 3.724 6.232 1.00 0.00 H new ATOM 0 HB3 ARG A 117 66.543 4.666 5.033 1.00 0.00 H new ATOM 0 HG2 ARG A 117 67.626 6.707 5.829 1.00 0.00 H new ATOM 0 HG3 ARG A 117 68.455 5.798 7.076 1.00 0.00 H new ATOM 0 HD2 ARG A 117 69.468 4.393 5.268 1.00 0.00 H new ATOM 0 HD3 ARG A 117 68.761 5.490 4.098 1.00 0.00 H new ATOM 0 HE ARG A 117 70.284 7.185 4.719 1.00 0.00 H new ATOM 0 HH11 ARG A 117 70.563 4.463 6.979 1.00 0.00 H new ATOM 0 HH12 ARG A 117 72.092 5.042 7.649 1.00 0.00 H new ATOM 0 HH21 ARG A 117 72.191 7.936 5.630 1.00 0.00 H new ATOM 0 HH22 ARG A 117 73.010 7.003 6.887 1.00 0.00 H new ATOM 660 N HIS A 118 63.863 5.025 5.871 1.00 0.00 N ATOM 661 CA HIS A 118 62.695 5.542 5.214 1.00 0.00 C ATOM 662 C HIS A 118 61.628 5.861 6.239 1.00 0.00 C ATOM 663 O HIS A 118 60.677 6.586 5.969 1.00 0.00 O ATOM 664 CB HIS A 118 62.201 4.509 4.211 1.00 0.00 C ATOM 665 CG HIS A 118 63.257 4.217 3.152 1.00 0.00 C ATOM 666 ND1 HIS A 118 63.834 5.201 2.402 1.00 0.00 N ATOM 667 CD2 HIS A 118 63.930 3.083 2.833 1.00 0.00 C ATOM 668 CE1 HIS A 118 64.830 4.670 1.699 1.00 0.00 C ATOM 669 NE2 HIS A 118 64.923 3.383 1.911 1.00 0.00 N ATOM 0 H HIS A 118 63.899 4.006 5.895 1.00 0.00 H new ATOM 0 HA HIS A 118 62.936 6.464 4.684 1.00 0.00 H new ATOM 0 HB2 HIS A 118 61.941 3.588 4.732 1.00 0.00 H new ATOM 0 HB3 HIS A 118 61.292 4.871 3.731 1.00 0.00 H new ATOM 0 HD1 HIS A 118 63.549 6.180 2.384 1.00 0.00 H new ATOM 0 HD2 HIS A 118 63.725 2.101 3.234 1.00 0.00 H new ATOM 0 HE1 HIS A 118 65.477 5.229 1.039 1.00 0.00 H new ATOM 677 N LEU A 119 61.811 5.327 7.423 1.00 0.00 N ATOM 678 CA LEU A 119 60.881 5.524 8.518 1.00 0.00 C ATOM 679 C LEU A 119 61.336 6.652 9.447 1.00 0.00 C ATOM 680 O LEU A 119 60.610 7.603 9.672 1.00 0.00 O ATOM 681 CB LEU A 119 60.685 4.212 9.296 1.00 0.00 C ATOM 682 CG LEU A 119 60.247 2.992 8.488 1.00 0.00 C ATOM 683 CD1 LEU A 119 59.671 1.919 9.375 1.00 0.00 C ATOM 684 CD2 LEU A 119 59.274 3.360 7.428 1.00 0.00 C ATOM 0 H LEU A 119 62.612 4.740 7.659 1.00 0.00 H new ATOM 0 HA LEU A 119 59.922 5.822 8.095 1.00 0.00 H new ATOM 0 HB2 LEU A 119 61.623 3.970 9.796 1.00 0.00 H new ATOM 0 HB3 LEU A 119 59.944 4.387 10.076 1.00 0.00 H new ATOM 0 HG LEU A 119 61.141 2.594 8.007 1.00 0.00 H new ATOM 0 HD11 LEU A 119 59.370 1.066 8.766 1.00 0.00 H new ATOM 0 HD12 LEU A 119 60.423 1.602 10.097 1.00 0.00 H new ATOM 0 HD13 LEU A 119 58.803 2.312 9.904 1.00 0.00 H new ATOM 0 HD21 LEU A 119 58.985 2.467 6.874 1.00 0.00 H new ATOM 0 HD22 LEU A 119 58.390 3.806 7.884 1.00 0.00 H new ATOM 0 HD23 LEU A 119 59.732 4.077 6.747 1.00 0.00 H new ATOM 696 N ASP A 120 62.535 6.539 9.972 1.00 0.00 N ATOM 697 CA ASP A 120 63.093 7.560 10.899 1.00 0.00 C ATOM 698 C ASP A 120 63.441 8.842 10.165 1.00 0.00 C ATOM 699 O ASP A 120 62.925 9.928 10.478 1.00 0.00 O ATOM 700 CB ASP A 120 64.365 7.050 11.539 1.00 0.00 C ATOM 701 CG ASP A 120 64.856 7.942 12.653 1.00 0.00 C ATOM 702 OD1 ASP A 120 64.467 7.722 13.810 1.00 0.00 O ATOM 703 OD2 ASP A 120 65.659 8.859 12.398 1.00 0.00 O ATOM 0 H ASP A 120 63.162 5.756 9.787 1.00 0.00 H new ATOM 0 HA ASP A 120 62.329 7.757 11.651 1.00 0.00 H new ATOM 0 HB2 ASP A 120 64.193 6.048 11.931 1.00 0.00 H new ATOM 0 HB3 ASP A 120 65.141 6.966 10.778 1.00 0.00 H new ATOM 708 N LYS A 121 64.324 8.708 9.170 1.00 0.00 N ATOM 709 CA LYS A 121 64.782 9.853 8.381 1.00 0.00 C ATOM 710 C LYS A 121 63.734 10.187 7.350 1.00 0.00 C ATOM 711 O LYS A 121 63.773 11.239 6.696 1.00 0.00 O ATOM 712 CB LYS A 121 66.104 9.553 7.695 1.00 0.00 C ATOM 713 CG LYS A 121 67.144 8.961 8.613 1.00 0.00 C ATOM 714 CD LYS A 121 68.476 8.818 7.908 1.00 0.00 C ATOM 715 CE LYS A 121 69.403 7.913 8.681 1.00 0.00 C ATOM 716 NZ LYS A 121 69.665 8.398 10.054 1.00 0.00 N ATOM 0 H LYS A 121 64.735 7.817 8.893 1.00 0.00 H new ATOM 0 HA LYS A 121 64.936 10.701 9.048 1.00 0.00 H new ATOM 0 HB2 LYS A 121 65.926 8.864 6.870 1.00 0.00 H new ATOM 0 HB3 LYS A 121 66.496 10.474 7.263 1.00 0.00 H new ATOM 0 HG2 LYS A 121 67.261 9.595 9.492 1.00 0.00 H new ATOM 0 HG3 LYS A 121 66.809 7.985 8.966 1.00 0.00 H new ATOM 0 HD2 LYS A 121 68.320 8.415 6.907 1.00 0.00 H new ATOM 0 HD3 LYS A 121 68.936 9.799 7.789 1.00 0.00 H new ATOM 0 HE2 LYS A 121 68.970 6.914 8.730 1.00 0.00 H new ATOM 0 HE3 LYS A 121 70.348 7.825 8.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 70.432 7.839 10.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 69.944 9.399 10.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 68.804 8.297 10.628 1.00 0.00 H new ATOM 730 N LYS A 122 62.811 9.235 7.195 1.00 0.00 N ATOM 731 CA LYS A 122 61.626 9.369 6.380 1.00 0.00 C ATOM 732 C LYS A 122 61.978 9.548 4.911 1.00 0.00 C ATOM 733 O LYS A 122 61.271 10.235 4.179 1.00 0.00 O ATOM 734 CB LYS A 122 60.798 10.538 6.884 1.00 0.00 C ATOM 735 CG LYS A 122 60.482 10.495 8.360 1.00 0.00 C ATOM 736 CD LYS A 122 59.718 11.724 8.787 1.00 0.00 C ATOM 737 CE LYS A 122 59.397 11.680 10.258 1.00 0.00 C ATOM 738 NZ LYS A 122 60.604 11.738 11.109 1.00 0.00 N ATOM 0 H LYS A 122 62.880 8.326 7.652 1.00 0.00 H new ATOM 0 HA LYS A 122 61.042 8.452 6.460 1.00 0.00 H new ATOM 0 HB2 LYS A 122 61.331 11.464 6.667 1.00 0.00 H new ATOM 0 HB3 LYS A 122 59.862 10.570 6.326 1.00 0.00 H new ATOM 0 HG2 LYS A 122 59.897 9.603 8.584 1.00 0.00 H new ATOM 0 HG3 LYS A 122 61.407 10.421 8.931 1.00 0.00 H new ATOM 0 HD2 LYS A 122 60.305 12.616 8.566 1.00 0.00 H new ATOM 0 HD3 LYS A 122 58.795 11.800 8.212 1.00 0.00 H new ATOM 0 HE2 LYS A 122 58.742 12.514 10.507 1.00 0.00 H new ATOM 0 HE3 LYS A 122 58.846 10.765 10.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 60.322 11.807 12.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 61.170 10.877 10.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 61.171 12.571 10.851 1.00 0.00 H new ATOM 752 N GLN A 123 63.049 8.894 4.482 1.00 0.00 N ATOM 753 CA GLN A 123 63.497 8.983 3.098 1.00 0.00 C ATOM 754 C GLN A 123 62.443 8.402 2.173 1.00 0.00 C ATOM 755 O GLN A 123 61.734 7.447 2.540 1.00 0.00 O ATOM 756 CB GLN A 123 64.814 8.243 2.894 1.00 0.00 C ATOM 757 CG GLN A 123 65.889 8.631 3.859 1.00 0.00 C ATOM 758 CD GLN A 123 67.202 8.019 3.551 1.00 0.00 C ATOM 759 OE1 GLN A 123 67.282 6.949 2.984 1.00 0.00 O ATOM 760 NE2 GLN A 123 68.239 8.669 3.975 1.00 0.00 N ATOM 0 H GLN A 123 63.625 8.295 5.073 1.00 0.00 H new ATOM 0 HA GLN A 123 63.653 10.036 2.864 1.00 0.00 H new ATOM 0 HB2 GLN A 123 64.633 7.172 2.980 1.00 0.00 H new ATOM 0 HB3 GLN A 123 65.168 8.426 1.880 1.00 0.00 H new ATOM 0 HG2 GLN A 123 65.993 9.716 3.859 1.00 0.00 H new ATOM 0 HG3 GLN A 123 65.587 8.339 4.865 1.00 0.00 H new ATOM 0 HE21 GLN A 123 68.121 9.566 4.446 1.00 0.00 H new ATOM 0 HE22 GLN A 123 69.174 8.284 3.837 1.00 0.00 H new ATOM 769 N ARG A 124 62.347 8.944 0.999 1.00 0.00 N ATOM 770 CA ARG A 124 61.344 8.510 0.077 1.00 0.00 C ATOM 771 C ARG A 124 61.828 7.330 -0.727 1.00 0.00 C ATOM 772 O ARG A 124 63.030 7.173 -0.993 1.00 0.00 O ATOM 773 CB ARG A 124 60.911 9.626 -0.866 1.00 0.00 C ATOM 774 CG ARG A 124 60.510 10.911 -0.172 1.00 0.00 C ATOM 775 CD ARG A 124 59.821 11.859 -1.131 1.00 0.00 C ATOM 776 NE ARG A 124 60.611 12.133 -2.338 1.00 0.00 N ATOM 777 CZ ARG A 124 60.073 12.397 -3.540 1.00 0.00 C ATOM 778 NH1 ARG A 124 58.745 12.474 -3.672 1.00 0.00 N ATOM 779 NH2 ARG A 124 60.859 12.601 -4.595 1.00 0.00 N ATOM 0 H ARG A 124 62.952 9.690 0.656 1.00 0.00 H new ATOM 0 HA ARG A 124 60.479 8.214 0.671 1.00 0.00 H new ATOM 0 HB2 ARG A 124 61.727 9.839 -1.556 1.00 0.00 H new ATOM 0 HB3 ARG A 124 60.071 9.274 -1.465 1.00 0.00 H new ATOM 0 HG2 ARG A 124 59.845 10.685 0.661 1.00 0.00 H new ATOM 0 HG3 ARG A 124 61.394 11.392 0.247 1.00 0.00 H new ATOM 0 HD2 ARG A 124 58.859 11.437 -1.422 1.00 0.00 H new ATOM 0 HD3 ARG A 124 59.615 12.798 -0.618 1.00 0.00 H new ATOM 0 HE ARG A 124 61.628 12.122 -2.259 1.00 0.00 H new ATOM 0 HH11 ARG A 124 58.143 12.332 -2.861 1.00 0.00 H new ATOM 0 HH12 ARG A 124 58.334 12.674 -4.584 1.00 0.00 H new ATOM 0 HH21 ARG A 124 61.873 12.557 -4.492 1.00 0.00 H new ATOM 0 HH22 ARG A 124 60.447 12.801 -5.507 1.00 0.00 H new ATOM 793 N PHE A 125 60.908 6.502 -1.074 1.00 0.00 N ATOM 794 CA PHE A 125 61.139 5.348 -1.902 1.00 0.00 C ATOM 795 C PHE A 125 59.931 5.163 -2.783 1.00 0.00 C ATOM 796 O PHE A 125 59.036 6.011 -2.770 1.00 0.00 O ATOM 797 CB PHE A 125 61.379 4.090 -1.033 1.00 0.00 C ATOM 798 CG PHE A 125 60.378 3.849 0.078 1.00 0.00 C ATOM 799 CD1 PHE A 125 59.102 4.354 0.027 1.00 0.00 C ATOM 800 CD2 PHE A 125 60.732 3.143 1.192 1.00 0.00 C ATOM 801 CE1 PHE A 125 58.236 4.147 1.021 1.00 0.00 C ATOM 802 CE2 PHE A 125 59.836 2.948 2.199 1.00 0.00 C ATOM 803 CZ PHE A 125 58.610 3.435 2.100 1.00 0.00 C ATOM 0 H PHE A 125 59.935 6.604 -0.784 1.00 0.00 H new ATOM 0 HA PHE A 125 62.030 5.496 -2.512 1.00 0.00 H new ATOM 0 HB2 PHE A 125 61.384 3.217 -1.686 1.00 0.00 H new ATOM 0 HB3 PHE A 125 62.372 4.163 -0.590 1.00 0.00 H new ATOM 0 HD1 PHE A 125 58.794 4.929 -0.833 1.00 0.00 H new ATOM 0 HD2 PHE A 125 61.729 2.737 1.275 1.00 0.00 H new ATOM 0 HE1 PHE A 125 57.236 4.550 0.960 1.00 0.00 H new ATOM 0 HE2 PHE A 125 60.127 2.395 3.080 1.00 0.00 H new ATOM 0 HZ PHE A 125 57.900 3.259 2.895 1.00 0.00 H new ATOM 813 N HIS A 126 59.870 4.083 -3.483 1.00 0.00 N ATOM 814 CA HIS A 126 58.735 3.782 -4.287 1.00 0.00 C ATOM 815 C HIS A 126 57.992 2.628 -3.595 1.00 0.00 C ATOM 816 O HIS A 126 58.624 1.816 -2.964 1.00 0.00 O ATOM 817 CB HIS A 126 59.204 3.378 -5.692 1.00 0.00 C ATOM 818 CG HIS A 126 58.092 3.353 -6.671 1.00 0.00 C ATOM 819 ND1 HIS A 126 56.930 2.710 -6.604 1.00 0.00 N flip ATOM 820 CD2 HIS A 126 58.070 4.057 -7.837 1.00 0.00 C flip ATOM 821 CE1 HIS A 126 56.169 2.997 -7.714 1.00 0.00 C flip ATOM 822 NE2 HIS A 126 56.904 3.823 -8.423 1.00 0.00 N flip ATOM 0 H HIS A 126 60.609 3.380 -3.514 1.00 0.00 H new ATOM 0 HA HIS A 126 58.072 4.641 -4.394 1.00 0.00 H new ATOM 0 HB2 HIS A 126 59.969 4.076 -6.032 1.00 0.00 H new ATOM 0 HB3 HIS A 126 59.669 2.393 -5.648 1.00 0.00 H new ATOM 0 HD2 HIS A 126 58.859 4.690 -8.215 1.00 0.00 H new ATOM 0 HE1 HIS A 126 55.183 2.625 -7.950 1.00 0.00 H new ATOM 0 HE2 HIS A 126 56.615 4.232 -9.311 1.00 0.00 H new ATOM 830 N ASN A 127 56.668 2.610 -3.670 1.00 0.00 N ATOM 831 CA ASN A 127 55.807 1.551 -3.097 1.00 0.00 C ATOM 832 C ASN A 127 55.315 0.691 -4.207 1.00 0.00 C ATOM 833 O ASN A 127 54.852 1.198 -5.186 1.00 0.00 O ATOM 834 CB ASN A 127 54.574 2.139 -2.402 1.00 0.00 C ATOM 835 CG ASN A 127 54.910 3.149 -1.360 1.00 0.00 C ATOM 836 OD1 ASN A 127 54.134 4.016 -1.056 1.00 0.00 O ATOM 837 ND2 ASN A 127 56.073 3.072 -0.851 1.00 0.00 N ATOM 0 H ASN A 127 56.137 3.344 -4.140 1.00 0.00 H new ATOM 0 HA ASN A 127 56.399 0.994 -2.370 1.00 0.00 H new ATOM 0 HB2 ASN A 127 53.929 2.600 -3.150 1.00 0.00 H new ATOM 0 HB3 ASN A 127 54.004 1.331 -1.944 1.00 0.00 H new ATOM 0 HD21 ASN A 127 56.374 3.760 -0.161 1.00 0.00 H new ATOM 0 HD22 ASN A 127 56.705 2.322 -1.133 1.00 0.00 H new ATOM 844 N ILE A 128 55.458 -0.598 -4.091 1.00 0.00 N ATOM 845 CA ILE A 128 55.052 -1.487 -5.137 1.00 0.00 C ATOM 846 C ILE A 128 54.053 -2.489 -4.559 1.00 0.00 C ATOM 847 O ILE A 128 54.037 -2.723 -3.353 1.00 0.00 O ATOM 848 CB ILE A 128 56.307 -2.200 -5.796 1.00 0.00 C ATOM 849 CG1 ILE A 128 57.256 -1.154 -6.400 1.00 0.00 C ATOM 850 CG2 ILE A 128 55.880 -3.177 -6.880 1.00 0.00 C ATOM 851 CD1 ILE A 128 58.088 -0.355 -5.461 1.00 0.00 C ATOM 0 H ILE A 128 55.857 -1.059 -3.273 1.00 0.00 H new ATOM 0 HA ILE A 128 54.566 -0.929 -5.937 1.00 0.00 H new ATOM 0 HB ILE A 128 56.823 -2.754 -5.011 1.00 0.00 H new ATOM 0 HG12 ILE A 128 57.926 -1.667 -7.089 1.00 0.00 H new ATOM 0 HG13 ILE A 128 56.659 -0.461 -6.993 1.00 0.00 H new ATOM 0 HG21 ILE A 128 56.762 -3.649 -7.312 1.00 0.00 H new ATOM 0 HG22 ILE A 128 55.235 -3.941 -6.447 1.00 0.00 H new ATOM 0 HG23 ILE A 128 55.337 -2.642 -7.659 1.00 0.00 H new ATOM 0 HD11 ILE A 128 58.707 0.341 -6.026 1.00 0.00 H new ATOM 0 HD12 ILE A 128 57.440 0.202 -4.785 1.00 0.00 H new ATOM 0 HD13 ILE A 128 58.727 -1.022 -4.883 1.00 0.00 H new ATOM 863 N ARG A 129 53.212 -3.051 -5.372 1.00 0.00 N ATOM 864 CA ARG A 129 52.204 -3.944 -4.876 1.00 0.00 C ATOM 865 C ARG A 129 52.818 -5.281 -4.458 1.00 0.00 C ATOM 866 O ARG A 129 53.159 -6.123 -5.305 1.00 0.00 O ATOM 867 CB ARG A 129 51.105 -4.132 -5.912 1.00 0.00 C ATOM 868 CG ARG A 129 49.710 -4.307 -5.321 1.00 0.00 C ATOM 869 CD ARG A 129 49.350 -3.088 -4.474 1.00 0.00 C ATOM 870 NE ARG A 129 47.958 -3.073 -4.011 1.00 0.00 N ATOM 871 CZ ARG A 129 47.474 -2.243 -3.061 1.00 0.00 C ATOM 872 NH1 ARG A 129 48.280 -1.355 -2.477 1.00 0.00 N ATOM 873 NH2 ARG A 129 46.186 -2.297 -2.707 1.00 0.00 N ATOM 0 H ARG A 129 53.201 -2.909 -6.382 1.00 0.00 H new ATOM 0 HA ARG A 129 51.754 -3.501 -3.988 1.00 0.00 H new ATOM 0 HB2 ARG A 129 51.099 -3.270 -6.579 1.00 0.00 H new ATOM 0 HB3 ARG A 129 51.341 -5.005 -6.521 1.00 0.00 H new ATOM 0 HG2 ARG A 129 48.980 -4.434 -6.120 1.00 0.00 H new ATOM 0 HG3 ARG A 129 49.674 -5.209 -4.710 1.00 0.00 H new ATOM 0 HD2 ARG A 129 50.011 -3.052 -3.608 1.00 0.00 H new ATOM 0 HD3 ARG A 129 49.538 -2.186 -5.056 1.00 0.00 H new ATOM 0 HE ARG A 129 47.310 -3.736 -4.436 1.00 0.00 H new ATOM 0 HH11 ARG A 129 49.262 -1.302 -2.748 1.00 0.00 H new ATOM 0 HH12 ARG A 129 47.914 -0.729 -1.760 1.00 0.00 H new ATOM 0 HH21 ARG A 129 45.562 -2.968 -3.155 1.00 0.00 H new ATOM 0 HH22 ARG A 129 45.828 -1.667 -1.989 1.00 0.00 H new ATOM 887 N GLY A 130 53.013 -5.429 -3.166 1.00 0.00 N ATOM 888 CA GLY A 130 53.540 -6.648 -2.607 1.00 0.00 C ATOM 889 C GLY A 130 54.955 -6.485 -2.089 1.00 0.00 C ATOM 890 O GLY A 130 55.392 -7.232 -1.216 1.00 0.00 O ATOM 0 H GLY A 130 52.810 -4.706 -2.476 1.00 0.00 H new ATOM 0 HA2 GLY A 130 52.895 -6.980 -1.793 1.00 0.00 H new ATOM 0 HA3 GLY A 130 53.522 -7.430 -3.367 1.00 0.00 H new ATOM 894 N ARG A 131 55.685 -5.549 -2.647 1.00 0.00 N ATOM 895 CA ARG A 131 57.056 -5.291 -2.229 1.00 0.00 C ATOM 896 C ARG A 131 57.367 -3.871 -2.519 1.00 0.00 C ATOM 897 O ARG A 131 56.562 -3.213 -3.078 1.00 0.00 O ATOM 898 CB ARG A 131 58.008 -6.150 -3.047 1.00 0.00 C ATOM 899 CG ARG A 131 58.065 -5.758 -4.518 1.00 0.00 C ATOM 900 CD ARG A 131 59.451 -5.306 -4.885 1.00 0.00 C ATOM 901 NE ARG A 131 59.588 -5.007 -6.311 1.00 0.00 N ATOM 902 CZ ARG A 131 60.594 -4.309 -6.864 1.00 0.00 C ATOM 903 NH1 ARG A 131 61.526 -3.737 -6.104 1.00 0.00 N ATOM 904 NH2 ARG A 131 60.649 -4.169 -8.173 1.00 0.00 N ATOM 0 H ARG A 131 55.355 -4.944 -3.399 1.00 0.00 H new ATOM 0 HA ARG A 131 57.166 -5.516 -1.168 1.00 0.00 H new ATOM 0 HB2 ARG A 131 59.008 -6.078 -2.620 1.00 0.00 H new ATOM 0 HB3 ARG A 131 57.703 -7.193 -2.968 1.00 0.00 H new ATOM 0 HG2 ARG A 131 57.776 -6.606 -5.139 1.00 0.00 H new ATOM 0 HG3 ARG A 131 57.350 -4.959 -4.716 1.00 0.00 H new ATOM 0 HD2 ARG A 131 59.705 -4.418 -4.306 1.00 0.00 H new ATOM 0 HD3 ARG A 131 60.166 -6.081 -4.610 1.00 0.00 H new ATOM 0 HE ARG A 131 58.861 -5.357 -6.935 1.00 0.00 H new ATOM 0 HH11 ARG A 131 61.482 -3.826 -5.089 1.00 0.00 H new ATOM 0 HH12 ARG A 131 62.284 -3.210 -6.537 1.00 0.00 H new ATOM 0 HH21 ARG A 131 59.930 -4.590 -8.762 1.00 0.00 H new ATOM 0 HH22 ARG A 131 61.411 -3.640 -8.598 1.00 0.00 H new ATOM 918 N TRP A 132 58.511 -3.376 -2.156 1.00 0.00 N ATOM 919 CA TRP A 132 58.893 -2.163 -2.776 1.00 0.00 C ATOM 920 C TRP A 132 60.349 -2.067 -3.164 1.00 0.00 C ATOM 921 O TRP A 132 61.080 -3.071 -3.158 1.00 0.00 O ATOM 922 CB TRP A 132 58.371 -0.928 -2.095 1.00 0.00 C ATOM 923 CG TRP A 132 58.756 -0.557 -0.741 1.00 0.00 C ATOM 924 CD1 TRP A 132 57.945 -0.192 0.206 1.00 0.00 C ATOM 925 CD2 TRP A 132 60.089 -0.425 -0.217 1.00 0.00 C ATOM 926 NE1 TRP A 132 58.658 0.159 1.311 1.00 0.00 N ATOM 927 CE2 TRP A 132 60.003 0.001 1.049 1.00 0.00 C ATOM 928 CE3 TRP A 132 61.303 -0.660 -0.713 1.00 0.00 C ATOM 929 CZ2 TRP A 132 61.159 0.210 1.845 1.00 0.00 C ATOM 930 CZ3 TRP A 132 62.413 -0.478 0.015 1.00 0.00 C ATOM 931 CH2 TRP A 132 62.350 -0.045 1.275 1.00 0.00 C ATOM 0 H TRP A 132 59.158 -3.771 -1.473 1.00 0.00 H new ATOM 0 HA TRP A 132 58.370 -2.204 -3.731 1.00 0.00 H new ATOM 0 HB2 TRP A 132 58.633 -0.085 -2.735 1.00 0.00 H new ATOM 0 HB3 TRP A 132 57.284 -1.006 -2.099 1.00 0.00 H new ATOM 0 HD1 TRP A 132 56.868 -0.170 0.128 1.00 0.00 H new ATOM 0 HE1 TRP A 132 58.261 0.486 2.192 1.00 0.00 H new ATOM 0 HE3 TRP A 132 61.395 -1.007 -1.731 1.00 0.00 H new ATOM 0 HZ2 TRP A 132 61.085 0.559 2.864 1.00 0.00 H new ATOM 0 HZ3 TRP A 132 63.376 -0.686 -0.427 1.00 0.00 H new ATOM 0 HH2 TRP A 132 63.259 0.101 1.840 1.00 0.00 H new ATOM 942 N THR A 133 60.774 -0.855 -3.524 1.00 0.00 N ATOM 943 CA THR A 133 62.097 -0.593 -3.860 1.00 0.00 C ATOM 944 C THR A 133 62.486 0.822 -3.228 1.00 0.00 C ATOM 945 O THR A 133 61.792 1.843 -3.408 1.00 0.00 O ATOM 946 CB THR A 133 62.193 -0.663 -5.378 1.00 0.00 C ATOM 947 OG1 THR A 133 63.482 -0.692 -5.825 1.00 0.00 O ATOM 948 CG2 THR A 133 61.384 0.416 -6.028 1.00 0.00 C ATOM 0 H THR A 133 60.164 -0.039 -3.578 1.00 0.00 H new ATOM 0 HA THR A 133 62.811 -1.314 -3.462 1.00 0.00 H new ATOM 0 HB THR A 133 61.757 -1.616 -5.679 1.00 0.00 H new ATOM 0 HG1 THR A 133 63.504 -1.052 -6.736 1.00 0.00 H new ATOM 0 HG21 THR A 133 61.475 0.337 -7.111 1.00 0.00 H new ATOM 0 HG22 THR A 133 60.337 0.308 -5.743 1.00 0.00 H new ATOM 0 HG23 THR A 133 61.750 1.390 -5.704 1.00 0.00 H new ATOM 956 N GLY A 134 63.529 0.795 -2.425 1.00 0.00 N ATOM 957 CA GLY A 134 63.986 1.902 -1.597 1.00 0.00 C ATOM 958 C GLY A 134 65.428 2.207 -1.821 1.00 0.00 C ATOM 959 O GLY A 134 65.923 1.975 -2.851 1.00 0.00 O ATOM 0 H GLY A 134 64.111 -0.036 -2.324 1.00 0.00 H new ATOM 0 HA2 GLY A 134 63.390 2.788 -1.815 1.00 0.00 H new ATOM 0 HA3 GLY A 134 63.825 1.660 -0.546 1.00 0.00 H new ATOM 963 N ARG A 135 66.107 2.706 -0.868 1.00 0.00 N ATOM 964 CA ARG A 135 67.537 2.910 -1.015 1.00 0.00 C ATOM 965 C ARG A 135 68.177 2.488 0.232 1.00 0.00 C ATOM 966 O ARG A 135 67.963 3.115 1.268 1.00 0.00 O ATOM 967 CB ARG A 135 67.954 4.377 -1.334 1.00 0.00 C ATOM 968 CG ARG A 135 67.570 4.928 -2.709 1.00 0.00 C ATOM 969 CD ARG A 135 66.127 5.398 -2.791 1.00 0.00 C ATOM 970 NE ARG A 135 65.771 5.768 -4.169 1.00 0.00 N ATOM 971 CZ ARG A 135 64.647 6.386 -4.555 1.00 0.00 C ATOM 972 NH1 ARG A 135 63.822 6.918 -3.656 1.00 0.00 N ATOM 973 NH2 ARG A 135 64.372 6.503 -5.856 1.00 0.00 N ATOM 0 H ARG A 135 65.721 2.989 0.033 1.00 0.00 H new ATOM 0 HA ARG A 135 67.859 2.321 -1.874 1.00 0.00 H new ATOM 0 HB2 ARG A 135 67.516 5.026 -0.575 1.00 0.00 H new ATOM 0 HB3 ARG A 135 69.037 4.451 -1.230 1.00 0.00 H new ATOM 0 HG2 ARG A 135 68.230 5.760 -2.956 1.00 0.00 H new ATOM 0 HG3 ARG A 135 67.736 4.156 -3.460 1.00 0.00 H new ATOM 0 HD2 ARG A 135 65.463 4.608 -2.440 1.00 0.00 H new ATOM 0 HD3 ARG A 135 65.981 6.254 -2.132 1.00 0.00 H new ATOM 0 HE ARG A 135 66.443 5.532 -4.899 1.00 0.00 H new ATOM 0 HH11 ARG A 135 64.043 6.857 -2.662 1.00 0.00 H new ATOM 0 HH12 ARG A 135 62.969 7.386 -3.961 1.00 0.00 H new ATOM 0 HH21 ARG A 135 65.016 6.123 -6.550 1.00 0.00 H new ATOM 0 HH22 ARG A 135 63.518 6.972 -6.156 1.00 0.00 H new ATOM 987 N CYS A 136 68.922 1.385 0.183 1.00 0.00 N ATOM 988 CA CYS A 136 69.624 0.970 1.367 1.00 0.00 C ATOM 989 C CYS A 136 70.615 2.049 1.819 1.00 0.00 C ATOM 990 O CYS A 136 70.851 2.994 1.114 1.00 0.00 O ATOM 991 CB CYS A 136 70.344 -0.361 1.177 1.00 0.00 C ATOM 992 SG CYS A 136 71.933 -0.405 0.257 1.00 0.00 S ATOM 0 H CYS A 136 69.045 0.791 -0.637 1.00 0.00 H new ATOM 0 HA CYS A 136 68.874 0.827 2.145 1.00 0.00 H new ATOM 0 HB2 CYS A 136 70.528 -0.777 2.167 1.00 0.00 H new ATOM 0 HB3 CYS A 136 69.654 -1.036 0.671 1.00 0.00 H new ATOM 997 N MET A 137 71.218 1.861 2.956 1.00 0.00 N ATOM 998 CA MET A 137 72.151 2.840 3.556 1.00 0.00 C ATOM 999 C MET A 137 73.210 3.300 2.610 1.00 0.00 C ATOM 1000 O MET A 137 73.474 4.467 2.519 1.00 0.00 O ATOM 1001 CB MET A 137 72.764 2.277 4.800 1.00 0.00 C ATOM 1002 CG MET A 137 71.755 2.042 5.856 1.00 0.00 C ATOM 1003 SD MET A 137 72.403 1.189 7.291 1.00 0.00 S ATOM 1004 CE MET A 137 72.859 -0.368 6.530 1.00 0.00 C ATOM 0 H MET A 137 71.091 1.021 3.520 1.00 0.00 H new ATOM 0 HA MET A 137 71.561 3.721 3.807 1.00 0.00 H new ATOM 0 HB2 MET A 137 73.267 1.339 4.564 1.00 0.00 H new ATOM 0 HB3 MET A 137 73.525 2.963 5.172 1.00 0.00 H new ATOM 0 HG2 MET A 137 71.340 3.000 6.170 1.00 0.00 H new ATOM 0 HG3 MET A 137 70.933 1.460 5.438 1.00 0.00 H new ATOM 0 HE1 MET A 137 72.927 -1.141 7.295 1.00 0.00 H new ATOM 0 HE2 MET A 137 72.104 -0.649 5.796 1.00 0.00 H new ATOM 0 HE3 MET A 137 73.824 -0.262 6.035 1.00 0.00 H new ATOM 1014 N SER A 138 73.757 2.405 1.890 1.00 0.00 N ATOM 1015 CA SER A 138 74.778 2.762 0.911 1.00 0.00 C ATOM 1016 C SER A 138 74.202 3.675 -0.196 1.00 0.00 C ATOM 1017 O SER A 138 74.818 4.676 -0.584 1.00 0.00 O ATOM 1018 CB SER A 138 75.372 1.504 0.287 1.00 0.00 C ATOM 1019 OG SER A 138 75.910 0.657 1.289 1.00 0.00 O ATOM 0 H SER A 138 73.536 1.410 1.937 1.00 0.00 H new ATOM 0 HA SER A 138 75.562 3.312 1.432 1.00 0.00 H new ATOM 0 HB2 SER A 138 74.603 0.971 -0.273 1.00 0.00 H new ATOM 0 HB3 SER A 138 76.152 1.777 -0.423 1.00 0.00 H new ATOM 0 HG SER A 138 76.285 -0.146 0.871 1.00 0.00 H new ATOM 1025 N CYS A 139 72.998 3.385 -0.603 1.00 0.00 N ATOM 1026 CA CYS A 139 72.394 3.981 -1.715 1.00 0.00 C ATOM 1027 C CYS A 139 71.537 5.194 -1.382 1.00 0.00 C ATOM 1028 O CYS A 139 71.222 6.007 -2.246 1.00 0.00 O ATOM 1029 CB CYS A 139 71.612 2.911 -2.327 1.00 0.00 C ATOM 1030 SG CYS A 139 72.612 1.499 -2.812 1.00 0.00 S ATOM 0 H CYS A 139 72.405 2.698 -0.137 1.00 0.00 H new ATOM 0 HA CYS A 139 73.148 4.390 -2.387 1.00 0.00 H new ATOM 0 HB2 CYS A 139 70.845 2.582 -1.626 1.00 0.00 H new ATOM 0 HB3 CYS A 139 71.096 3.302 -3.204 1.00 0.00 H new ATOM 1035 N SER A 140 71.160 5.301 -0.161 1.00 0.00 N ATOM 1036 CA SER A 140 70.391 6.392 0.307 1.00 0.00 C ATOM 1037 C SER A 140 71.310 7.592 0.543 1.00 0.00 C ATOM 1038 O SER A 140 70.888 8.760 0.479 1.00 0.00 O ATOM 1039 CB SER A 140 69.714 5.937 1.569 1.00 0.00 C ATOM 1040 OG SER A 140 70.659 5.375 2.442 1.00 0.00 O ATOM 0 H SER A 140 71.384 4.614 0.559 1.00 0.00 H new ATOM 0 HA SER A 140 69.637 6.707 -0.414 1.00 0.00 H new ATOM 0 HB2 SER A 140 69.218 6.780 2.050 1.00 0.00 H new ATOM 0 HB3 SER A 140 68.942 5.204 1.334 1.00 0.00 H new ATOM 0 HG SER A 140 71.139 6.090 2.909 1.00 0.00 H new ATOM 1046 N ARG A 141 72.576 7.284 0.812 1.00 0.00 N ATOM 1047 CA ARG A 141 73.602 8.278 0.974 1.00 0.00 C ATOM 1048 C ARG A 141 74.007 8.775 -0.413 1.00 0.00 C ATOM 1049 O ARG A 141 74.137 9.980 -0.650 1.00 0.00 O ATOM 1050 CB ARG A 141 74.817 7.672 1.692 1.00 0.00 C ATOM 1051 CG ARG A 141 74.541 7.128 3.097 1.00 0.00 C ATOM 1052 CD ARG A 141 75.772 6.405 3.642 1.00 0.00 C ATOM 1053 NE ARG A 141 75.513 5.702 4.916 1.00 0.00 N ATOM 1054 CZ ARG A 141 75.902 4.427 5.186 1.00 0.00 C ATOM 1055 NH1 ARG A 141 76.585 3.731 4.276 1.00 0.00 N ATOM 1056 NH2 ARG A 141 75.614 3.861 6.364 1.00 0.00 N ATOM 0 H ARG A 141 72.909 6.326 0.922 1.00 0.00 H new ATOM 0 HA ARG A 141 73.229 9.106 1.576 1.00 0.00 H new ATOM 0 HB2 ARG A 141 75.215 6.864 1.079 1.00 0.00 H new ATOM 0 HB3 ARG A 141 75.595 8.433 1.761 1.00 0.00 H new ATOM 0 HG2 ARG A 141 74.268 7.946 3.763 1.00 0.00 H new ATOM 0 HG3 ARG A 141 73.693 6.444 3.068 1.00 0.00 H new ATOM 0 HD2 ARG A 141 76.121 5.686 2.901 1.00 0.00 H new ATOM 0 HD3 ARG A 141 76.575 7.127 3.789 1.00 0.00 H new ATOM 0 HE ARG A 141 75.007 6.208 5.643 1.00 0.00 H new ATOM 0 HH11 ARG A 141 76.816 4.155 3.377 1.00 0.00 H new ATOM 0 HH12 ARG A 141 76.877 2.775 4.479 1.00 0.00 H new ATOM 0 HH21 ARG A 141 75.098 4.386 7.070 1.00 0.00 H new ATOM 0 HH22 ARG A 141 75.910 2.904 6.556 1.00 0.00 H new ATOM 1070 N SER A 142 74.200 7.837 -1.326 1.00 0.00 N ATOM 1071 CA SER A 142 74.548 8.141 -2.695 1.00 0.00 C ATOM 1072 C SER A 142 73.982 7.058 -3.626 1.00 0.00 C ATOM 1073 O SER A 142 74.310 5.886 -3.486 1.00 0.00 O ATOM 1074 CB SER A 142 76.073 8.225 -2.846 1.00 0.00 C ATOM 1075 OG SER A 142 76.627 9.184 -1.945 1.00 0.00 O ATOM 0 H SER A 142 74.118 6.839 -1.132 1.00 0.00 H new ATOM 0 HA SER A 142 74.118 9.105 -2.967 1.00 0.00 H new ATOM 0 HB2 SER A 142 76.515 7.247 -2.657 1.00 0.00 H new ATOM 0 HB3 SER A 142 76.326 8.496 -3.871 1.00 0.00 H new ATOM 0 HG SER A 142 77.600 9.217 -2.060 1.00 0.00 H new ATOM 1081 N SER A 143 73.140 7.458 -4.559 1.00 0.00 N ATOM 1082 CA SER A 143 72.516 6.535 -5.496 1.00 0.00 C ATOM 1083 C SER A 143 73.313 6.433 -6.808 1.00 0.00 C ATOM 1084 O SER A 143 72.930 5.723 -7.747 1.00 0.00 O ATOM 1085 CB SER A 143 71.071 6.961 -5.739 1.00 0.00 C ATOM 1086 OG SER A 143 70.988 8.368 -5.949 1.00 0.00 O ATOM 0 H SER A 143 72.867 8.432 -4.691 1.00 0.00 H new ATOM 0 HA SER A 143 72.516 5.535 -5.061 1.00 0.00 H new ATOM 0 HB2 SER A 143 70.673 6.435 -6.607 1.00 0.00 H new ATOM 0 HB3 SER A 143 70.455 6.679 -4.885 1.00 0.00 H new ATOM 0 HG SER A 143 70.054 8.621 -6.105 1.00 0.00 H new ATOM 1092 N ARG A 144 74.427 7.138 -6.858 1.00 0.00 N ATOM 1093 CA ARG A 144 75.312 7.118 -8.021 1.00 0.00 C ATOM 1094 C ARG A 144 76.316 5.960 -7.992 1.00 0.00 C ATOM 1095 O ARG A 144 77.302 5.962 -8.720 1.00 0.00 O ATOM 1096 CB ARG A 144 75.947 8.506 -8.329 1.00 0.00 C ATOM 1097 CG ARG A 144 76.564 9.294 -7.165 1.00 0.00 C ATOM 1098 CD ARG A 144 77.848 8.702 -6.605 1.00 0.00 C ATOM 1099 NE ARG A 144 78.443 9.628 -5.626 1.00 0.00 N ATOM 1100 CZ ARG A 144 79.546 9.422 -4.890 1.00 0.00 C ATOM 1101 NH1 ARG A 144 80.208 8.269 -4.960 1.00 0.00 N ATOM 1102 NH2 ARG A 144 79.982 10.391 -4.088 1.00 0.00 N ATOM 0 H ARG A 144 74.749 7.740 -6.100 1.00 0.00 H new ATOM 0 HA ARG A 144 74.675 6.909 -8.880 1.00 0.00 H new ATOM 0 HB2 ARG A 144 76.723 8.358 -9.080 1.00 0.00 H new ATOM 0 HB3 ARG A 144 75.178 9.131 -8.784 1.00 0.00 H new ATOM 0 HG2 ARG A 144 76.765 10.312 -7.500 1.00 0.00 H new ATOM 0 HG3 ARG A 144 75.831 9.362 -6.361 1.00 0.00 H new ATOM 0 HD2 ARG A 144 77.640 7.743 -6.131 1.00 0.00 H new ATOM 0 HD3 ARG A 144 78.554 8.512 -7.414 1.00 0.00 H new ATOM 0 HE ARG A 144 77.966 10.520 -5.494 1.00 0.00 H new ATOM 0 HH11 ARG A 144 79.878 7.528 -5.579 1.00 0.00 H new ATOM 0 HH12 ARG A 144 81.045 8.126 -4.395 1.00 0.00 H new ATOM 0 HH21 ARG A 144 79.479 11.277 -4.038 1.00 0.00 H new ATOM 0 HH22 ARG A 144 80.819 10.247 -3.523 1.00 0.00 H new ATOM 1116 N THR A 145 76.049 4.994 -7.135 1.00 0.00 N ATOM 1117 CA THR A 145 76.843 3.785 -6.994 1.00 0.00 C ATOM 1118 C THR A 145 77.015 3.076 -8.363 1.00 0.00 C ATOM 1119 O THR A 145 76.035 2.812 -9.068 1.00 0.00 O ATOM 1120 CB THR A 145 76.117 2.838 -6.026 1.00 0.00 C ATOM 1121 OG1 THR A 145 75.632 3.605 -4.901 1.00 0.00 O ATOM 1122 CG2 THR A 145 77.065 1.763 -5.516 1.00 0.00 C ATOM 0 H THR A 145 75.252 5.028 -6.499 1.00 0.00 H new ATOM 0 HA THR A 145 77.830 4.048 -6.614 1.00 0.00 H new ATOM 0 HB THR A 145 75.291 2.359 -6.552 1.00 0.00 H new ATOM 0 HG1 THR A 145 75.165 3.011 -4.277 1.00 0.00 H new ATOM 0 HG21 THR A 145 76.532 1.103 -4.832 1.00 0.00 H new ATOM 0 HG22 THR A 145 77.445 1.184 -6.358 1.00 0.00 H new ATOM 0 HG23 THR A 145 77.898 2.231 -4.992 1.00 0.00 H new ATOM 1130 N ARG A 146 78.245 2.811 -8.743 1.00 0.00 N ATOM 1131 CA ARG A 146 78.528 2.160 -10.001 1.00 0.00 C ATOM 1132 C ARG A 146 78.512 0.650 -9.836 1.00 0.00 C ATOM 1133 O ARG A 146 79.540 0.024 -9.608 1.00 0.00 O ATOM 1134 CB ARG A 146 79.864 2.634 -10.588 1.00 0.00 C ATOM 1135 CG ARG A 146 79.734 3.355 -11.921 1.00 0.00 C ATOM 1136 CD ARG A 146 79.180 2.435 -12.991 1.00 0.00 C ATOM 1137 NE ARG A 146 78.995 3.115 -14.272 1.00 0.00 N ATOM 1138 CZ ARG A 146 78.407 2.576 -15.344 1.00 0.00 C ATOM 1139 NH1 ARG A 146 77.898 1.346 -15.289 1.00 0.00 N ATOM 1140 NH2 ARG A 146 78.315 3.271 -16.456 1.00 0.00 N ATOM 0 H ARG A 146 79.072 3.039 -8.192 1.00 0.00 H new ATOM 0 HA ARG A 146 77.744 2.437 -10.706 1.00 0.00 H new ATOM 0 HB2 ARG A 146 80.348 3.299 -9.873 1.00 0.00 H new ATOM 0 HB3 ARG A 146 80.519 1.772 -10.715 1.00 0.00 H new ATOM 0 HG2 ARG A 146 79.080 4.220 -11.807 1.00 0.00 H new ATOM 0 HG3 ARG A 146 80.709 3.731 -12.230 1.00 0.00 H new ATOM 0 HD2 ARG A 146 79.856 1.591 -13.126 1.00 0.00 H new ATOM 0 HD3 ARG A 146 78.225 2.029 -12.658 1.00 0.00 H new ATOM 0 HE ARG A 146 79.340 4.071 -14.353 1.00 0.00 H new ATOM 0 HH11 ARG A 146 77.956 0.808 -14.424 1.00 0.00 H new ATOM 0 HH12 ARG A 146 77.451 0.942 -16.112 1.00 0.00 H new ATOM 0 HH21 ARG A 146 78.692 4.218 -16.498 1.00 0.00 H new ATOM 0 HH22 ARG A 146 77.867 2.863 -17.277 1.00 0.00 H new ATOM 1154 N ARG A 147 77.328 0.099 -9.863 1.00 0.00 N ATOM 1155 CA ARG A 147 77.081 -1.296 -9.743 1.00 0.00 C ATOM 1156 C ARG A 147 75.716 -1.569 -10.345 1.00 0.00 C ATOM 1157 O ARG A 147 75.016 -0.625 -10.710 1.00 0.00 O ATOM 1158 CB ARG A 147 77.056 -1.662 -8.278 1.00 0.00 C ATOM 1159 CG ARG A 147 78.342 -2.229 -7.681 1.00 0.00 C ATOM 1160 CD ARG A 147 78.581 -3.645 -8.184 1.00 0.00 C ATOM 1161 NE ARG A 147 79.585 -4.482 -7.441 1.00 0.00 N ATOM 1162 CZ ARG A 147 79.935 -4.428 -6.118 1.00 0.00 C ATOM 1163 NH1 ARG A 147 79.977 -3.286 -5.433 1.00 0.00 N ATOM 1164 NH2 ARG A 147 80.368 -5.527 -5.528 1.00 0.00 N ATOM 0 H ARG A 147 76.474 0.646 -9.975 1.00 0.00 H new ATOM 0 HA ARG A 147 77.852 -1.876 -10.250 1.00 0.00 H new ATOM 0 HB2 ARG A 147 76.784 -0.771 -7.711 1.00 0.00 H new ATOM 0 HB3 ARG A 147 76.261 -2.392 -8.125 1.00 0.00 H new ATOM 0 HG2 ARG A 147 79.186 -1.594 -7.949 1.00 0.00 H new ATOM 0 HG3 ARG A 147 78.276 -2.229 -6.593 1.00 0.00 H new ATOM 0 HD2 ARG A 147 77.627 -4.173 -8.171 1.00 0.00 H new ATOM 0 HD3 ARG A 147 78.898 -3.584 -9.225 1.00 0.00 H new ATOM 0 HE ARG A 147 80.071 -5.185 -7.997 1.00 0.00 H new ATOM 0 HH11 ARG A 147 79.743 -2.406 -5.893 1.00 0.00 H new ATOM 0 HH12 ARG A 147 80.243 -3.291 -4.448 1.00 0.00 H new ATOM 0 HH21 ARG A 147 80.437 -6.396 -6.057 1.00 0.00 H new ATOM 0 HH22 ARG A 147 80.633 -5.507 -4.543 1.00 0.00 H new ATOM 1178 N GLU A 148 75.346 -2.824 -10.475 1.00 0.00 N ATOM 1179 CA GLU A 148 74.068 -3.181 -10.989 1.00 0.00 C ATOM 1180 C GLU A 148 73.153 -3.546 -9.843 1.00 0.00 C ATOM 1181 O GLU A 148 72.016 -3.104 -9.758 1.00 0.00 O ATOM 1182 CB GLU A 148 74.269 -4.375 -11.883 1.00 0.00 C ATOM 1183 CG GLU A 148 74.931 -4.059 -13.207 1.00 0.00 C ATOM 1184 CD GLU A 148 74.000 -3.370 -14.172 1.00 0.00 C ATOM 1185 OE1 GLU A 148 73.599 -2.216 -13.935 1.00 0.00 O ATOM 1186 OE2 GLU A 148 73.674 -3.970 -15.214 1.00 0.00 O ATOM 0 H GLU A 148 75.934 -3.618 -10.223 1.00 0.00 H new ATOM 0 HA GLU A 148 73.619 -2.356 -11.542 1.00 0.00 H new ATOM 0 HB2 GLU A 148 74.874 -5.112 -11.355 1.00 0.00 H new ATOM 0 HB3 GLU A 148 73.301 -4.837 -12.076 1.00 0.00 H new ATOM 0 HG2 GLU A 148 75.800 -3.425 -13.032 1.00 0.00 H new ATOM 0 HG3 GLU A 148 75.295 -4.983 -13.656 1.00 0.00 H new ATOM 1193 N THR A 149 73.681 -4.349 -8.962 1.00 0.00 N ATOM 1194 CA THR A 149 72.939 -4.852 -7.838 1.00 0.00 C ATOM 1195 C THR A 149 73.838 -4.884 -6.606 1.00 0.00 C ATOM 1196 O THR A 149 73.447 -5.347 -5.535 1.00 0.00 O ATOM 1197 CB THR A 149 72.353 -6.248 -8.212 1.00 0.00 C ATOM 1198 OG1 THR A 149 71.555 -6.827 -7.171 1.00 0.00 O ATOM 1199 CG2 THR A 149 73.475 -7.196 -8.598 1.00 0.00 C ATOM 0 H THR A 149 74.646 -4.676 -9.003 1.00 0.00 H new ATOM 0 HA THR A 149 72.100 -4.201 -7.592 1.00 0.00 H new ATOM 0 HB THR A 149 71.688 -6.090 -9.061 1.00 0.00 H new ATOM 0 HG1 THR A 149 71.326 -6.138 -6.513 1.00 0.00 H new ATOM 0 HG21 THR A 149 73.057 -8.168 -8.858 1.00 0.00 H new ATOM 0 HG22 THR A 149 74.014 -6.792 -9.455 1.00 0.00 H new ATOM 0 HG23 THR A 149 74.161 -7.309 -7.759 1.00 0.00 H new ATOM 1207 N GLN A 150 75.010 -4.282 -6.767 1.00 0.00 N ATOM 1208 CA GLN A 150 76.001 -4.137 -5.708 1.00 0.00 C ATOM 1209 C GLN A 150 76.639 -5.458 -5.297 1.00 0.00 C ATOM 1210 O GLN A 150 77.194 -5.606 -4.206 1.00 0.00 O ATOM 1211 CB GLN A 150 75.473 -3.297 -4.538 1.00 0.00 C ATOM 1212 CG GLN A 150 75.417 -1.787 -4.841 1.00 0.00 C ATOM 1213 CD GLN A 150 74.447 -1.345 -5.928 1.00 0.00 C ATOM 1214 OE1 GLN A 150 74.711 -0.399 -6.653 1.00 0.00 O ATOM 1215 NE2 GLN A 150 73.320 -1.939 -5.984 1.00 0.00 N ATOM 0 H GLN A 150 75.304 -3.873 -7.654 1.00 0.00 H new ATOM 0 HA GLN A 150 76.829 -3.564 -6.126 1.00 0.00 H new ATOM 0 HB2 GLN A 150 74.474 -3.644 -4.274 1.00 0.00 H new ATOM 0 HB3 GLN A 150 76.108 -3.461 -3.667 1.00 0.00 H new ATOM 0 HG2 GLN A 150 75.158 -1.264 -3.920 1.00 0.00 H new ATOM 0 HG3 GLN A 150 76.417 -1.459 -5.123 1.00 0.00 H new ATOM 0 HE21 GLN A 150 73.128 -2.727 -5.366 1.00 0.00 H new ATOM 0 HE22 GLN A 150 72.611 -1.626 -6.647 1.00 0.00 H new ATOM 1224 N LEU A 151 76.599 -6.374 -6.224 1.00 0.00 N ATOM 1225 CA LEU A 151 77.257 -7.646 -6.135 1.00 0.00 C ATOM 1226 C LEU A 151 78.295 -7.691 -7.223 1.00 0.00 C ATOM 1227 O LEU A 151 77.893 -7.697 -8.413 1.00 0.00 O ATOM 1228 CB LEU A 151 76.283 -8.813 -6.297 1.00 0.00 C ATOM 1229 CG LEU A 151 75.461 -9.228 -5.068 1.00 0.00 C ATOM 1230 CD1 LEU A 151 74.525 -8.146 -4.584 1.00 0.00 C ATOM 1231 CD2 LEU A 151 74.702 -10.470 -5.383 1.00 0.00 C ATOM 1232 OXT LEU A 151 79.497 -7.665 -6.917 1.00 0.00 O ATOM 0 H LEU A 151 76.086 -6.249 -7.097 1.00 0.00 H new ATOM 0 HA LEU A 151 77.707 -7.749 -5.147 1.00 0.00 H new ATOM 0 HB2 LEU A 151 75.587 -8.561 -7.097 1.00 0.00 H new ATOM 0 HB3 LEU A 151 76.851 -9.681 -6.630 1.00 0.00 H new ATOM 0 HG LEU A 151 76.162 -9.408 -4.253 1.00 0.00 H new ATOM 0 HD11 LEU A 151 73.974 -8.504 -3.714 1.00 0.00 H new ATOM 0 HD12 LEU A 151 75.101 -7.262 -4.311 1.00 0.00 H new ATOM 0 HD13 LEU A 151 73.823 -7.890 -5.378 1.00 0.00 H new ATOM 0 HD21 LEU A 151 74.117 -10.769 -4.514 1.00 0.00 H new ATOM 0 HD22 LEU A 151 74.034 -10.285 -6.224 1.00 0.00 H new ATOM 0 HD23 LEU A 151 75.399 -11.267 -5.642 1.00 0.00 H new TER 1244 LEU A 151 HETATM 1245 ZN ZN A 201 71.584 -0.324 -1.993 1.00 0.00 ZN