USER MOD reduce.3.24.130724 H: found=0, std=0, add=624, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 624 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 NoAdj-H: A 85 HIS HD1 : A 85 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD Single : A 64 HIS : no HD1:sc= -0.113 K(o=-0.11,f=-1.3) USER MOD Single : A 86 SER OG : rot 148:sc= -1.04 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 101 ASN : amide:sc= -0.0689 K(o=-0.069,f=-1.3!) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= -0.0272 USER MOD Single : A 113 THR OG1 : rot 180:sc= -0.168 USER MOD Single : A 121 LYS NZ :NH3+ -151:sc= 1.21 (180deg=0.507) USER MOD Single : A 122 GLN : amide:sc= 0 K(o=0,f=-1.7!) USER MOD Single : A 123 GLN : amide:sc= -1.33 K(o=-1.3,f=-4) USER MOD Single : A 124 CYS SG : rot 180:sc= 0.00242 USER MOD Single : A 126 SER OG : rot -161:sc= 0.25 USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 132 ASN : amide:sc=-0.00487 X(o=-0.0049,f=-0.2) USER MOD Single : A 133 TYR OH : rot 180:sc= 0 USER MOD Single : A 135 MET CE :methyl -157:sc= -0.674 (180deg=-1.14) USER MOD Single : A 138 SER OG : rot 63:sc= -1.15 USER MOD Single : A 140 SER OG : rot 180:sc= 0 USER MOD Single : A 141 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 144 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 54 57.131 -0.843 13.118 1.00 0.00 N ATOM 2 CA GLY A 54 58.534 -1.209 13.267 1.00 0.00 C ATOM 3 C GLY A 54 59.208 -0.368 14.346 1.00 0.00 C ATOM 4 O GLY A 54 58.747 0.727 14.674 1.00 0.00 O ATOM 0 HA2 GLY A 54 58.612 -2.266 13.523 1.00 0.00 H new ATOM 0 HA3 GLY A 54 59.052 -1.072 12.318 1.00 0.00 H new ATOM 8 N GLY A 55 60.303 -0.887 14.895 1.00 0.00 N ATOM 9 CA GLY A 55 61.039 -0.179 15.936 1.00 0.00 C ATOM 10 C GLY A 55 61.579 1.149 15.422 1.00 0.00 C ATOM 11 O GLY A 55 61.560 2.156 16.131 1.00 0.00 O ATOM 0 H GLY A 55 60.698 -1.791 14.637 1.00 0.00 H new ATOM 0 HA2 GLY A 55 60.386 -0.003 16.791 1.00 0.00 H new ATOM 0 HA3 GLY A 55 61.864 -0.799 16.287 1.00 0.00 H new ATOM 15 N ALA A 56 62.062 1.145 14.186 1.00 0.00 N ATOM 16 CA ALA A 56 62.606 2.356 13.589 1.00 0.00 C ATOM 17 C ALA A 56 61.530 3.438 13.511 1.00 0.00 C ATOM 18 O ALA A 56 60.371 3.153 13.205 1.00 0.00 O ATOM 19 CB ALA A 56 63.147 2.048 12.187 1.00 0.00 C ATOM 0 H ALA A 56 62.088 0.323 13.582 1.00 0.00 H new ATOM 0 HA ALA A 56 63.422 2.721 14.213 1.00 0.00 H new ATOM 0 HB1 ALA A 56 63.553 2.958 11.745 1.00 0.00 H new ATOM 0 HB2 ALA A 56 63.934 1.297 12.258 1.00 0.00 H new ATOM 0 HB3 ALA A 56 62.339 1.670 11.560 1.00 0.00 H new ATOM 25 N GLU A 57 61.927 4.679 13.789 1.00 0.00 N ATOM 26 CA GLU A 57 60.995 5.807 13.750 1.00 0.00 C ATOM 27 C GLU A 57 60.958 6.444 12.363 1.00 0.00 C ATOM 28 O GLU A 57 60.540 7.592 12.194 1.00 0.00 O ATOM 29 CB GLU A 57 61.412 6.860 14.768 1.00 0.00 C ATOM 30 CG GLU A 57 61.384 6.257 16.173 1.00 0.00 C ATOM 31 CD GLU A 57 59.957 5.882 16.554 1.00 0.00 C ATOM 32 OE1 GLU A 57 59.042 6.426 15.958 1.00 0.00 O ATOM 33 OE2 GLU A 57 59.797 5.056 17.437 1.00 0.00 O ATOM 0 H GLU A 57 62.883 4.929 14.043 1.00 0.00 H new ATOM 0 HA GLU A 57 60.001 5.428 13.989 1.00 0.00 H new ATOM 0 HB2 GLU A 57 62.413 7.226 14.538 1.00 0.00 H new ATOM 0 HB3 GLU A 57 60.740 7.717 14.716 1.00 0.00 H new ATOM 0 HG2 GLU A 57 62.023 5.374 16.211 1.00 0.00 H new ATOM 0 HG3 GLU A 57 61.785 6.972 16.892 1.00 0.00 H new ATOM 40 N ALA A 58 61.391 5.682 11.378 1.00 0.00 N ATOM 41 CA ALA A 58 61.416 6.149 10.007 1.00 0.00 C ATOM 42 C ALA A 58 60.023 6.487 9.504 1.00 0.00 C ATOM 43 O ALA A 58 59.868 7.113 8.463 1.00 0.00 O ATOM 44 CB ALA A 58 62.096 5.119 9.107 1.00 0.00 C ATOM 0 H ALA A 58 61.733 4.729 11.504 1.00 0.00 H new ATOM 0 HA ALA A 58 61.998 7.070 9.976 1.00 0.00 H new ATOM 0 HB1 ALA A 58 62.107 5.484 8.080 1.00 0.00 H new ATOM 0 HB2 ALA A 58 63.119 4.959 9.446 1.00 0.00 H new ATOM 0 HB3 ALA A 58 61.547 4.178 9.152 1.00 0.00 H new ATOM 50 N LEU A 59 59.020 6.082 10.257 1.00 0.00 N ATOM 51 CA LEU A 59 57.638 6.350 9.901 1.00 0.00 C ATOM 52 C LEU A 59 57.430 7.823 9.557 1.00 0.00 C ATOM 53 O LEU A 59 56.487 8.175 8.848 1.00 0.00 O ATOM 54 CB LEU A 59 56.761 5.998 11.086 1.00 0.00 C ATOM 55 CG LEU A 59 56.689 4.480 11.223 1.00 0.00 C ATOM 56 CD1 LEU A 59 56.188 4.128 12.619 1.00 0.00 C ATOM 57 CD2 LEU A 59 55.709 3.912 10.191 1.00 0.00 C ATOM 0 H LEU A 59 59.136 5.562 11.127 1.00 0.00 H new ATOM 0 HA LEU A 59 57.380 5.752 9.027 1.00 0.00 H new ATOM 0 HB2 LEU A 59 57.166 6.439 11.997 1.00 0.00 H new ATOM 0 HB3 LEU A 59 55.761 6.411 10.949 1.00 0.00 H new ATOM 0 HG LEU A 59 57.680 4.057 11.059 1.00 0.00 H new ATOM 0 HD11 LEU A 59 56.134 3.044 12.724 1.00 0.00 H new ATOM 0 HD12 LEU A 59 56.874 4.531 13.364 1.00 0.00 H new ATOM 0 HD13 LEU A 59 55.197 4.557 12.769 1.00 0.00 H new ATOM 0 HD21 LEU A 59 55.661 2.828 10.293 1.00 0.00 H new ATOM 0 HD22 LEU A 59 54.719 4.336 10.358 1.00 0.00 H new ATOM 0 HD23 LEU A 59 56.049 4.167 9.187 1.00 0.00 H new ATOM 69 N GLU A 60 58.305 8.680 10.066 1.00 0.00 N ATOM 70 CA GLU A 60 58.188 10.105 9.802 1.00 0.00 C ATOM 71 C GLU A 60 58.264 10.381 8.308 1.00 0.00 C ATOM 72 O GLU A 60 57.507 11.193 7.773 1.00 0.00 O ATOM 73 CB GLU A 60 59.318 10.851 10.512 1.00 0.00 C ATOM 74 CG GLU A 60 59.117 10.760 12.022 1.00 0.00 C ATOM 75 CD GLU A 60 57.897 11.577 12.432 1.00 0.00 C ATOM 76 OE1 GLU A 60 57.510 12.447 11.671 1.00 0.00 O ATOM 77 OE2 GLU A 60 57.367 11.320 13.500 1.00 0.00 O ATOM 0 H GLU A 60 59.094 8.417 10.657 1.00 0.00 H new ATOM 0 HA GLU A 60 57.223 10.450 10.175 1.00 0.00 H new ATOM 0 HB2 GLU A 60 60.281 10.422 10.236 1.00 0.00 H new ATOM 0 HB3 GLU A 60 59.332 11.895 10.198 1.00 0.00 H new ATOM 0 HG2 GLU A 60 58.985 9.719 12.318 1.00 0.00 H new ATOM 0 HG3 GLU A 60 60.003 11.129 12.539 1.00 0.00 H new ATOM 84 N LEU A 61 59.179 9.699 7.647 1.00 0.00 N ATOM 85 CA LEU A 61 59.356 9.867 6.207 1.00 0.00 C ATOM 86 C LEU A 61 58.762 8.695 5.423 1.00 0.00 C ATOM 87 O LEU A 61 58.152 8.894 4.374 1.00 0.00 O ATOM 88 CB LEU A 61 60.844 9.993 5.893 1.00 0.00 C ATOM 89 CG LEU A 61 61.426 11.214 6.607 1.00 0.00 C ATOM 90 CD1 LEU A 61 62.932 11.267 6.377 1.00 0.00 C ATOM 91 CD2 LEU A 61 60.784 12.498 6.066 1.00 0.00 C ATOM 0 H LEU A 61 59.812 9.024 8.077 1.00 0.00 H new ATOM 0 HA LEU A 61 58.829 10.771 5.904 1.00 0.00 H new ATOM 0 HB2 LEU A 61 61.369 9.092 6.209 1.00 0.00 H new ATOM 0 HB3 LEU A 61 60.991 10.086 4.817 1.00 0.00 H new ATOM 0 HG LEU A 61 61.218 11.133 7.674 1.00 0.00 H new ATOM 0 HD11 LEU A 61 63.347 12.137 6.886 1.00 0.00 H new ATOM 0 HD12 LEU A 61 63.392 10.362 6.772 1.00 0.00 H new ATOM 0 HD13 LEU A 61 63.135 11.340 5.308 1.00 0.00 H new ATOM 0 HD21 LEU A 61 61.206 13.361 6.581 1.00 0.00 H new ATOM 0 HD22 LEU A 61 60.982 12.581 4.997 1.00 0.00 H new ATOM 0 HD23 LEU A 61 59.708 12.465 6.234 1.00 0.00 H new ATOM 103 N LEU A 62 58.947 7.481 5.943 1.00 0.00 N ATOM 104 CA LEU A 62 58.439 6.274 5.315 1.00 0.00 C ATOM 105 C LEU A 62 58.588 5.106 6.282 1.00 0.00 C ATOM 106 O LEU A 62 57.658 4.798 7.021 1.00 0.00 O ATOM 107 CB LEU A 62 59.189 6.006 4.002 1.00 0.00 C ATOM 108 CG LEU A 62 58.282 6.360 2.831 1.00 0.00 C ATOM 109 CD1 LEU A 62 59.122 6.920 1.684 1.00 0.00 C ATOM 110 CD2 LEU A 62 57.548 5.104 2.359 1.00 0.00 C ATOM 0 H LEU A 62 59.454 7.313 6.812 1.00 0.00 H new ATOM 0 HA LEU A 62 57.383 6.398 5.076 1.00 0.00 H new ATOM 0 HB2 LEU A 62 60.103 6.599 3.963 1.00 0.00 H new ATOM 0 HB3 LEU A 62 59.486 4.959 3.945 1.00 0.00 H new ATOM 0 HG LEU A 62 57.556 7.109 3.148 1.00 0.00 H new ATOM 0 HD11 LEU A 62 58.472 7.173 0.847 1.00 0.00 H new ATOM 0 HD12 LEU A 62 59.646 7.815 2.020 1.00 0.00 H new ATOM 0 HD13 LEU A 62 59.848 6.172 1.366 1.00 0.00 H new ATOM 0 HD21 LEU A 62 56.898 5.356 1.521 1.00 0.00 H new ATOM 0 HD22 LEU A 62 58.274 4.355 2.043 1.00 0.00 H new ATOM 0 HD23 LEU A 62 56.948 4.705 3.176 1.00 0.00 H new ATOM 122 N GLU A 63 59.770 4.488 6.274 1.00 0.00 N ATOM 123 CA GLU A 63 60.098 3.363 7.146 1.00 0.00 C ATOM 124 C GLU A 63 61.388 2.680 6.684 1.00 0.00 C ATOM 125 O GLU A 63 62.460 2.914 7.245 1.00 0.00 O ATOM 126 CB GLU A 63 58.964 2.357 7.154 1.00 0.00 C ATOM 127 CG GLU A 63 58.259 2.405 8.504 1.00 0.00 C ATOM 128 CD GLU A 63 57.751 1.016 8.873 1.00 0.00 C ATOM 129 OE1 GLU A 63 57.368 0.288 7.974 1.00 0.00 O ATOM 130 OE2 GLU A 63 57.758 0.697 10.052 1.00 0.00 O ATOM 0 H GLU A 63 60.534 4.759 5.654 1.00 0.00 H new ATOM 0 HA GLU A 63 60.245 3.747 8.156 1.00 0.00 H new ATOM 0 HB2 GLU A 63 58.258 2.581 6.354 1.00 0.00 H new ATOM 0 HB3 GLU A 63 59.350 1.355 6.968 1.00 0.00 H new ATOM 0 HG2 GLU A 63 58.945 2.766 9.270 1.00 0.00 H new ATOM 0 HG3 GLU A 63 57.427 3.108 8.465 1.00 0.00 H new ATOM 137 N HIS A 64 61.275 1.835 5.663 1.00 0.00 N ATOM 138 CA HIS A 64 62.426 1.123 5.136 1.00 0.00 C ATOM 139 C HIS A 64 62.807 1.657 3.766 1.00 0.00 C ATOM 140 O HIS A 64 62.040 2.365 3.115 1.00 0.00 O ATOM 141 CB HIS A 64 62.117 -0.370 5.038 1.00 0.00 C ATOM 142 CG HIS A 64 60.812 -0.565 4.338 1.00 0.00 C ATOM 143 ND1 HIS A 64 59.624 -0.611 5.036 1.00 0.00 N ATOM 144 CD2 HIS A 64 60.486 -0.736 3.018 1.00 0.00 C ATOM 145 CE1 HIS A 64 58.642 -0.804 4.147 1.00 0.00 C ATOM 146 NE2 HIS A 64 59.110 -0.887 2.898 1.00 0.00 N ATOM 0 H HIS A 64 60.397 1.629 5.187 1.00 0.00 H new ATOM 0 HA HIS A 64 63.264 1.276 5.816 1.00 0.00 H new ATOM 0 HB2 HIS A 64 62.912 -0.882 4.496 1.00 0.00 H new ATOM 0 HB3 HIS A 64 62.076 -0.810 6.035 1.00 0.00 H new ATOM 0 HD2 HIS A 64 61.189 -0.751 2.198 1.00 0.00 H new ATOM 0 HE1 HIS A 64 57.597 -0.883 4.408 1.00 0.00 H new ATOM 0 HE2 HIS A 64 58.574 -1.030 2.042 1.00 0.00 H new ATOM 154 N CYS A 65 64.006 1.305 3.348 1.00 0.00 N ATOM 155 CA CYS A 65 64.527 1.733 2.065 1.00 0.00 C ATOM 156 C CYS A 65 63.975 0.875 0.936 1.00 0.00 C ATOM 157 O CYS A 65 63.904 -0.333 1.056 1.00 0.00 O ATOM 158 CB CYS A 65 66.041 1.629 2.089 1.00 0.00 C ATOM 159 SG CYS A 65 66.678 1.931 0.431 1.00 0.00 S ATOM 0 H CYS A 65 64.644 0.717 3.885 1.00 0.00 H new ATOM 0 HA CYS A 65 64.221 2.764 1.888 1.00 0.00 H new ATOM 0 HB2 CYS A 65 66.457 2.353 2.789 1.00 0.00 H new ATOM 0 HB3 CYS A 65 66.345 0.641 2.435 1.00 0.00 H new ATOM 164 N GLY A 66 63.580 1.518 -0.154 1.00 0.00 N ATOM 165 CA GLY A 66 63.030 0.815 -1.313 1.00 0.00 C ATOM 166 C GLY A 66 64.070 -0.064 -2.022 1.00 0.00 C ATOM 167 O GLY A 66 63.737 -1.118 -2.566 1.00 0.00 O ATOM 0 H GLY A 66 63.629 2.531 -0.263 1.00 0.00 H new ATOM 0 HA2 GLY A 66 62.193 0.194 -0.993 1.00 0.00 H new ATOM 0 HA3 GLY A 66 62.634 1.544 -2.020 1.00 0.00 H new ATOM 171 N VAL A 67 65.316 0.401 -2.059 1.00 0.00 N ATOM 172 CA VAL A 67 66.390 -0.309 -2.754 1.00 0.00 C ATOM 173 C VAL A 67 66.625 -1.719 -2.200 1.00 0.00 C ATOM 174 O VAL A 67 66.905 -2.647 -2.959 1.00 0.00 O ATOM 175 CB VAL A 67 67.688 0.491 -2.625 1.00 0.00 C ATOM 176 CG1 VAL A 67 68.850 -0.315 -3.199 1.00 0.00 C ATOM 177 CG2 VAL A 67 67.554 1.813 -3.385 1.00 0.00 C ATOM 0 H VAL A 67 65.609 1.271 -1.614 1.00 0.00 H new ATOM 0 HA VAL A 67 66.087 -0.409 -3.796 1.00 0.00 H new ATOM 0 HB VAL A 67 67.880 0.697 -1.572 1.00 0.00 H new ATOM 0 HG11 VAL A 67 69.772 0.259 -3.105 1.00 0.00 H new ATOM 0 HG12 VAL A 67 68.948 -1.252 -2.651 1.00 0.00 H new ATOM 0 HG13 VAL A 67 68.661 -0.528 -4.251 1.00 0.00 H new ATOM 0 HG21 VAL A 67 68.479 2.382 -3.292 1.00 0.00 H new ATOM 0 HG22 VAL A 67 67.357 1.609 -4.438 1.00 0.00 H new ATOM 0 HG23 VAL A 67 66.730 2.391 -2.967 1.00 0.00 H new ATOM 187 N CYS A 68 66.546 -1.868 -0.887 1.00 0.00 N ATOM 188 CA CYS A 68 66.785 -3.164 -0.254 1.00 0.00 C ATOM 189 C CYS A 68 65.537 -3.677 0.450 1.00 0.00 C ATOM 190 O CYS A 68 65.421 -4.864 0.755 1.00 0.00 O ATOM 191 CB CYS A 68 67.926 -3.028 0.757 1.00 0.00 C ATOM 192 SG CYS A 68 67.712 -1.496 1.701 1.00 0.00 S ATOM 0 H CYS A 68 66.320 -1.114 -0.238 1.00 0.00 H new ATOM 0 HA CYS A 68 67.053 -3.881 -1.030 1.00 0.00 H new ATOM 0 HB2 CYS A 68 67.934 -3.885 1.430 1.00 0.00 H new ATOM 0 HB3 CYS A 68 68.886 -3.019 0.240 1.00 0.00 H new ATOM 197 N ARG A 69 64.602 -2.773 0.693 1.00 0.00 N ATOM 198 CA ARG A 69 63.350 -3.124 1.348 1.00 0.00 C ATOM 199 C ARG A 69 63.606 -3.607 2.767 1.00 0.00 C ATOM 200 O ARG A 69 62.973 -4.550 3.242 1.00 0.00 O ATOM 201 CB ARG A 69 62.622 -4.199 0.543 1.00 0.00 C ATOM 202 CG ARG A 69 62.712 -3.871 -0.960 1.00 0.00 C ATOM 203 CD ARG A 69 63.677 -4.833 -1.663 1.00 0.00 C ATOM 204 NE ARG A 69 63.091 -5.321 -2.909 1.00 0.00 N ATOM 205 CZ ARG A 69 63.088 -4.583 -4.018 1.00 0.00 C ATOM 206 NH1 ARG A 69 63.614 -3.386 -4.028 1.00 0.00 N ATOM 207 NH2 ARG A 69 62.554 -5.060 -5.110 1.00 0.00 N ATOM 0 H ARG A 69 64.686 -1.787 0.446 1.00 0.00 H new ATOM 0 HA ARG A 69 62.721 -2.235 1.398 1.00 0.00 H new ATOM 0 HB2 ARG A 69 63.064 -5.176 0.739 1.00 0.00 H new ATOM 0 HB3 ARG A 69 61.578 -4.254 0.851 1.00 0.00 H new ATOM 0 HG2 ARG A 69 61.723 -3.942 -1.414 1.00 0.00 H new ATOM 0 HG3 ARG A 69 63.051 -2.844 -1.094 1.00 0.00 H new ATOM 0 HD2 ARG A 69 64.619 -4.326 -1.871 1.00 0.00 H new ATOM 0 HD3 ARG A 69 63.905 -5.673 -1.007 1.00 0.00 H new ATOM 0 HE ARG A 69 62.673 -6.251 -2.930 1.00 0.00 H new ATOM 0 HH11 ARG A 69 64.034 -3.006 -3.179 1.00 0.00 H new ATOM 0 HH12 ARG A 69 63.605 -2.832 -4.884 1.00 0.00 H new ATOM 0 HH21 ARG A 69 62.142 -5.993 -5.111 1.00 0.00 H new ATOM 0 HH22 ARG A 69 62.549 -4.499 -5.962 1.00 0.00 H new ATOM 221 N GLU A 70 64.532 -2.937 3.441 1.00 0.00 N ATOM 222 CA GLU A 70 64.868 -3.278 4.813 1.00 0.00 C ATOM 223 C GLU A 70 64.798 -2.047 5.688 1.00 0.00 C ATOM 224 O GLU A 70 65.074 -0.931 5.247 1.00 0.00 O ATOM 225 CB GLU A 70 66.261 -3.891 4.888 1.00 0.00 C ATOM 226 CG GLU A 70 66.292 -5.146 4.022 1.00 0.00 C ATOM 227 CD GLU A 70 65.339 -6.190 4.592 1.00 0.00 C ATOM 228 OE1 GLU A 70 65.032 -6.103 5.769 1.00 0.00 O ATOM 229 OE2 GLU A 70 64.927 -7.060 3.842 1.00 0.00 O ATOM 0 H GLU A 70 65.063 -2.155 3.058 1.00 0.00 H new ATOM 0 HA GLU A 70 64.146 -4.011 5.172 1.00 0.00 H new ATOM 0 HB2 GLU A 70 67.007 -3.176 4.543 1.00 0.00 H new ATOM 0 HB3 GLU A 70 66.510 -4.138 5.920 1.00 0.00 H new ATOM 0 HG2 GLU A 70 66.007 -4.900 2.999 1.00 0.00 H new ATOM 0 HG3 GLU A 70 67.305 -5.547 3.983 1.00 0.00 H new ATOM 236 N ARG A 71 64.414 -2.265 6.928 1.00 0.00 N ATOM 237 CA ARG A 71 64.287 -1.181 7.879 1.00 0.00 C ATOM 238 C ARG A 71 65.580 -0.387 7.962 1.00 0.00 C ATOM 239 O ARG A 71 66.669 -0.920 7.754 1.00 0.00 O ATOM 240 CB ARG A 71 63.932 -1.761 9.243 1.00 0.00 C ATOM 241 CG ARG A 71 63.183 -0.722 10.075 1.00 0.00 C ATOM 242 CD ARG A 71 61.709 -0.728 9.667 1.00 0.00 C ATOM 243 NE ARG A 71 61.105 -2.009 10.016 1.00 0.00 N ATOM 244 CZ ARG A 71 59.891 -2.355 9.588 1.00 0.00 C ATOM 245 NH1 ARG A 71 59.190 -1.547 8.835 1.00 0.00 N ATOM 246 NH2 ARG A 71 59.398 -3.514 9.925 1.00 0.00 N ATOM 0 H ARG A 71 64.184 -3.186 7.302 1.00 0.00 H new ATOM 0 HA ARG A 71 63.499 -0.503 7.552 1.00 0.00 H new ATOM 0 HB2 ARG A 71 63.316 -2.652 9.119 1.00 0.00 H new ATOM 0 HB3 ARG A 71 64.839 -2.070 9.763 1.00 0.00 H new ATOM 0 HG2 ARG A 71 63.281 -0.948 11.137 1.00 0.00 H new ATOM 0 HG3 ARG A 71 63.613 0.267 9.919 1.00 0.00 H new ATOM 0 HD2 ARG A 71 61.180 0.082 10.168 1.00 0.00 H new ATOM 0 HD3 ARG A 71 61.618 -0.553 8.595 1.00 0.00 H new ATOM 0 HE ARG A 71 61.627 -2.659 10.604 1.00 0.00 H new ATOM 0 HH11 ARG A 71 59.571 -0.639 8.568 1.00 0.00 H new ATOM 0 HH12 ARG A 71 58.262 -1.825 8.515 1.00 0.00 H new ATOM 0 HH21 ARG A 71 59.941 -4.148 10.512 1.00 0.00 H new ATOM 0 HH22 ARG A 71 58.470 -3.787 9.602 1.00 0.00 H new ATOM 260 N LEU A 72 65.439 0.900 8.250 1.00 0.00 N ATOM 261 CA LEU A 72 66.587 1.786 8.339 1.00 0.00 C ATOM 262 C LEU A 72 67.293 1.631 9.686 1.00 0.00 C ATOM 263 O LEU A 72 66.776 2.050 10.722 1.00 0.00 O ATOM 264 CB LEU A 72 66.112 3.231 8.158 1.00 0.00 C ATOM 265 CG LEU A 72 65.462 3.384 6.774 1.00 0.00 C ATOM 266 CD1 LEU A 72 64.787 4.757 6.665 1.00 0.00 C ATOM 267 CD2 LEU A 72 66.533 3.255 5.684 1.00 0.00 C ATOM 0 H LEU A 72 64.541 1.351 8.425 1.00 0.00 H new ATOM 0 HA LEU A 72 67.300 1.527 7.556 1.00 0.00 H new ATOM 0 HB2 LEU A 72 65.397 3.491 8.939 1.00 0.00 H new ATOM 0 HB3 LEU A 72 66.953 3.917 8.255 1.00 0.00 H new ATOM 0 HG LEU A 72 64.714 2.602 6.643 1.00 0.00 H new ATOM 0 HD11 LEU A 72 64.328 4.860 5.682 1.00 0.00 H new ATOM 0 HD12 LEU A 72 64.020 4.848 7.435 1.00 0.00 H new ATOM 0 HD13 LEU A 72 65.532 5.541 6.801 1.00 0.00 H new ATOM 0 HD21 LEU A 72 66.069 3.364 4.704 1.00 0.00 H new ATOM 0 HD22 LEU A 72 67.284 4.033 5.818 1.00 0.00 H new ATOM 0 HD23 LEU A 72 67.008 2.276 5.754 1.00 0.00 H new ATOM 279 N ARG A 73 68.487 1.040 9.654 1.00 0.00 N ATOM 280 CA ARG A 73 69.276 0.849 10.873 1.00 0.00 C ATOM 281 C ARG A 73 69.867 2.173 11.337 1.00 0.00 C ATOM 282 O ARG A 73 69.947 3.127 10.563 1.00 0.00 O ATOM 283 CB ARG A 73 70.414 -0.156 10.649 1.00 0.00 C ATOM 284 CG ARG A 73 69.878 -1.582 10.732 1.00 0.00 C ATOM 285 CD ARG A 73 69.514 -2.089 9.338 1.00 0.00 C ATOM 286 NE ARG A 73 68.809 -3.365 9.445 1.00 0.00 N ATOM 287 CZ ARG A 73 68.736 -4.225 8.426 1.00 0.00 C ATOM 288 NH1 ARG A 73 69.319 -3.966 7.285 1.00 0.00 N ATOM 289 NH2 ARG A 73 68.066 -5.336 8.568 1.00 0.00 N ATOM 0 H ARG A 73 68.928 0.687 8.804 1.00 0.00 H new ATOM 0 HA ARG A 73 68.605 0.457 11.637 1.00 0.00 H new ATOM 0 HB2 ARG A 73 70.872 0.013 9.674 1.00 0.00 H new ATOM 0 HB3 ARG A 73 71.193 -0.008 11.397 1.00 0.00 H new ATOM 0 HG2 ARG A 73 70.627 -2.235 11.180 1.00 0.00 H new ATOM 0 HG3 ARG A 73 69.001 -1.612 11.379 1.00 0.00 H new ATOM 0 HD2 ARG A 73 68.887 -1.358 8.827 1.00 0.00 H new ATOM 0 HD3 ARG A 73 70.416 -2.210 8.738 1.00 0.00 H new ATOM 0 HE ARG A 73 68.358 -3.607 10.327 1.00 0.00 H new ATOM 0 HH11 ARG A 73 69.839 -3.097 7.164 1.00 0.00 H new ATOM 0 HH12 ARG A 73 69.254 -4.633 6.516 1.00 0.00 H new ATOM 0 HH21 ARG A 73 67.603 -5.543 9.453 1.00 0.00 H new ATOM 0 HH22 ARG A 73 68.006 -5.998 7.794 1.00 0.00 H new ATOM 303 N PRO A 74 70.276 2.259 12.579 1.00 0.00 N ATOM 304 CA PRO A 74 70.865 3.513 13.140 1.00 0.00 C ATOM 305 C PRO A 74 72.089 3.965 12.350 1.00 0.00 C ATOM 306 O PRO A 74 72.274 5.153 12.089 1.00 0.00 O ATOM 307 CB PRO A 74 71.248 3.130 14.572 1.00 0.00 C ATOM 308 CG PRO A 74 70.406 1.943 14.897 1.00 0.00 C ATOM 309 CD PRO A 74 70.240 1.182 13.586 1.00 0.00 C ATOM 0 HA PRO A 74 70.169 4.351 13.096 1.00 0.00 H new ATOM 0 HB2 PRO A 74 72.309 2.892 14.646 1.00 0.00 H new ATOM 0 HB3 PRO A 74 71.056 3.950 15.264 1.00 0.00 H new ATOM 0 HG2 PRO A 74 70.883 1.320 15.653 1.00 0.00 H new ATOM 0 HG3 PRO A 74 69.439 2.247 15.298 1.00 0.00 H new ATOM 0 HD2 PRO A 74 71.041 0.458 13.434 1.00 0.00 H new ATOM 0 HD3 PRO A 74 69.301 0.630 13.555 1.00 0.00 H new ATOM 317 N GLU A 75 72.905 2.993 11.961 1.00 0.00 N ATOM 318 CA GLU A 75 74.106 3.274 11.179 1.00 0.00 C ATOM 319 C GLU A 75 73.810 3.241 9.678 1.00 0.00 C ATOM 320 O GLU A 75 74.713 3.409 8.857 1.00 0.00 O ATOM 321 CB GLU A 75 75.207 2.263 11.500 1.00 0.00 C ATOM 322 CG GLU A 75 74.645 0.850 11.385 1.00 0.00 C ATOM 323 CD GLU A 75 75.782 -0.165 11.353 1.00 0.00 C ATOM 324 OE1 GLU A 75 76.925 0.258 11.391 1.00 0.00 O ATOM 325 OE2 GLU A 75 75.494 -1.348 11.288 1.00 0.00 O ATOM 0 H GLU A 75 72.759 2.006 12.173 1.00 0.00 H new ATOM 0 HA GLU A 75 74.444 4.275 11.448 1.00 0.00 H new ATOM 0 HB2 GLU A 75 76.044 2.390 10.814 1.00 0.00 H new ATOM 0 HB3 GLU A 75 75.590 2.433 12.506 1.00 0.00 H new ATOM 0 HG2 GLU A 75 73.986 0.643 12.228 1.00 0.00 H new ATOM 0 HG3 GLU A 75 74.043 0.762 10.481 1.00 0.00 H new ATOM 332 N ARG A 76 72.550 2.998 9.321 1.00 0.00 N ATOM 333 CA ARG A 76 72.166 2.915 7.923 1.00 0.00 C ATOM 334 C ARG A 76 72.292 4.258 7.226 1.00 0.00 C ATOM 335 O ARG A 76 72.453 4.326 6.009 1.00 0.00 O ATOM 336 CB ARG A 76 70.712 2.464 7.842 1.00 0.00 C ATOM 337 CG ARG A 76 70.389 1.873 6.467 1.00 0.00 C ATOM 338 CD ARG A 76 71.208 0.597 6.255 1.00 0.00 C ATOM 339 NE ARG A 76 70.741 -0.149 5.098 1.00 0.00 N ATOM 340 CZ ARG A 76 69.725 -0.999 5.180 1.00 0.00 C ATOM 341 NH1 ARG A 76 69.059 -1.148 6.297 1.00 0.00 N ATOM 342 NH2 ARG A 76 69.398 -1.704 4.140 1.00 0.00 N ATOM 0 H ARG A 76 71.785 2.857 9.981 1.00 0.00 H new ATOM 0 HA ARG A 76 72.831 2.207 7.429 1.00 0.00 H new ATOM 0 HB2 ARG A 76 70.516 1.721 8.615 1.00 0.00 H new ATOM 0 HB3 ARG A 76 70.055 3.311 8.040 1.00 0.00 H new ATOM 0 HG2 ARG A 76 69.324 1.651 6.396 1.00 0.00 H new ATOM 0 HG3 ARG A 76 70.616 2.598 5.685 1.00 0.00 H new ATOM 0 HD2 ARG A 76 72.259 0.855 6.123 1.00 0.00 H new ATOM 0 HD3 ARG A 76 71.143 -0.030 7.144 1.00 0.00 H new ATOM 0 HE ARG A 76 71.206 -0.016 4.200 1.00 0.00 H new ATOM 0 HH11 ARG A 76 69.318 -0.606 7.122 1.00 0.00 H new ATOM 0 HH12 ARG A 76 68.281 -1.806 6.343 1.00 0.00 H new ATOM 0 HH21 ARG A 76 69.920 -1.602 3.270 1.00 0.00 H new ATOM 0 HH22 ARG A 76 68.619 -2.360 4.193 1.00 0.00 H new ATOM 356 N GLU A 77 72.212 5.321 8.002 1.00 0.00 N ATOM 357 CA GLU A 77 72.310 6.652 7.442 1.00 0.00 C ATOM 358 C GLU A 77 71.299 6.853 6.329 1.00 0.00 C ATOM 359 O GLU A 77 71.653 6.922 5.154 1.00 0.00 O ATOM 360 CB GLU A 77 73.711 6.884 6.897 1.00 0.00 C ATOM 361 CG GLU A 77 73.916 8.374 6.634 1.00 0.00 C ATOM 362 CD GLU A 77 75.369 8.640 6.259 1.00 0.00 C ATOM 363 OE1 GLU A 77 76.094 7.680 6.061 1.00 0.00 O ATOM 364 OE2 GLU A 77 75.739 9.799 6.188 1.00 0.00 O ATOM 0 H GLU A 77 72.081 5.289 9.013 1.00 0.00 H new ATOM 0 HA GLU A 77 72.099 7.367 8.237 1.00 0.00 H new ATOM 0 HB2 GLU A 77 74.454 6.524 7.609 1.00 0.00 H new ATOM 0 HB3 GLU A 77 73.852 6.319 5.976 1.00 0.00 H new ATOM 0 HG2 GLU A 77 73.258 8.704 5.830 1.00 0.00 H new ATOM 0 HG3 GLU A 77 73.649 8.949 7.521 1.00 0.00 H new ATOM 371 N PRO A 78 70.061 6.953 6.687 1.00 0.00 N ATOM 372 CA PRO A 78 68.958 7.161 5.715 1.00 0.00 C ATOM 373 C PRO A 78 68.985 8.575 5.150 1.00 0.00 C ATOM 374 O PRO A 78 69.462 9.503 5.804 1.00 0.00 O ATOM 375 CB PRO A 78 67.701 6.911 6.549 1.00 0.00 C ATOM 376 CG PRO A 78 68.098 7.250 7.946 1.00 0.00 C ATOM 377 CD PRO A 78 69.572 6.885 8.069 1.00 0.00 C ATOM 0 HA PRO A 78 69.022 6.506 4.846 1.00 0.00 H new ATOM 0 HB2 PRO A 78 66.872 7.533 6.211 1.00 0.00 H new ATOM 0 HB3 PRO A 78 67.374 5.874 6.471 1.00 0.00 H new ATOM 0 HG2 PRO A 78 67.941 8.309 8.149 1.00 0.00 H new ATOM 0 HG3 PRO A 78 67.498 6.695 8.667 1.00 0.00 H new ATOM 0 HD2 PRO A 78 70.105 7.581 8.717 1.00 0.00 H new ATOM 0 HD3 PRO A 78 69.705 5.889 8.493 1.00 0.00 H new ATOM 385 N ARG A 79 68.482 8.734 3.937 1.00 0.00 N ATOM 386 CA ARG A 79 68.467 10.047 3.297 1.00 0.00 C ATOM 387 C ARG A 79 67.156 10.257 2.553 1.00 0.00 C ATOM 388 O ARG A 79 66.396 9.314 2.365 1.00 0.00 O ATOM 389 CB ARG A 79 69.639 10.167 2.329 1.00 0.00 C ATOM 390 CG ARG A 79 70.446 11.427 2.647 1.00 0.00 C ATOM 391 CD ARG A 79 71.862 11.274 2.090 1.00 0.00 C ATOM 392 NE ARG A 79 72.824 11.103 3.172 1.00 0.00 N ATOM 393 CZ ARG A 79 74.134 11.040 2.933 1.00 0.00 C ATOM 394 NH1 ARG A 79 74.602 11.126 1.714 1.00 0.00 N ATOM 395 NH2 ARG A 79 74.960 10.895 3.928 1.00 0.00 N ATOM 0 H ARG A 79 68.082 7.981 3.377 1.00 0.00 H new ATOM 0 HA ARG A 79 68.560 10.813 4.067 1.00 0.00 H new ATOM 0 HB2 ARG A 79 70.277 9.287 2.405 1.00 0.00 H new ATOM 0 HB3 ARG A 79 69.273 10.208 1.303 1.00 0.00 H new ATOM 0 HG2 ARG A 79 69.964 12.302 2.210 1.00 0.00 H new ATOM 0 HG3 ARG A 79 70.482 11.587 3.725 1.00 0.00 H new ATOM 0 HD2 ARG A 79 71.904 10.415 1.420 1.00 0.00 H new ATOM 0 HD3 ARG A 79 72.123 12.152 1.500 1.00 0.00 H new ATOM 0 HE ARG A 79 72.488 11.030 4.132 1.00 0.00 H new ATOM 0 HH11 ARG A 79 73.961 11.243 0.929 1.00 0.00 H new ATOM 0 HH12 ARG A 79 75.607 11.076 1.549 1.00 0.00 H new ATOM 0 HH21 ARG A 79 74.604 10.830 4.882 1.00 0.00 H new ATOM 0 HH22 ARG A 79 75.964 10.846 3.754 1.00 0.00 H new ATOM 409 N LEU A 80 66.884 11.496 2.148 1.00 0.00 N ATOM 410 CA LEU A 80 65.638 11.796 1.449 1.00 0.00 C ATOM 411 C LEU A 80 65.882 12.328 0.035 1.00 0.00 C ATOM 412 O LEU A 80 66.617 13.296 -0.152 1.00 0.00 O ATOM 413 CB LEU A 80 64.848 12.835 2.241 1.00 0.00 C ATOM 414 CG LEU A 80 63.426 12.888 1.715 1.00 0.00 C ATOM 415 CD1 LEU A 80 62.550 12.003 2.591 1.00 0.00 C ATOM 416 CD2 LEU A 80 62.915 14.329 1.758 1.00 0.00 C ATOM 0 H LEU A 80 67.500 12.297 2.289 1.00 0.00 H new ATOM 0 HA LEU A 80 65.077 10.865 1.366 1.00 0.00 H new ATOM 0 HB2 LEU A 80 64.847 12.579 3.300 1.00 0.00 H new ATOM 0 HB3 LEU A 80 65.319 13.814 2.150 1.00 0.00 H new ATOM 0 HG LEU A 80 63.396 12.535 0.684 1.00 0.00 H new ATOM 0 HD11 LEU A 80 61.524 12.031 2.225 1.00 0.00 H new ATOM 0 HD12 LEU A 80 62.920 10.978 2.558 1.00 0.00 H new ATOM 0 HD13 LEU A 80 62.579 12.366 3.619 1.00 0.00 H new ATOM 0 HD21 LEU A 80 61.893 14.364 1.380 1.00 0.00 H new ATOM 0 HD22 LEU A 80 62.934 14.691 2.786 1.00 0.00 H new ATOM 0 HD23 LEU A 80 63.553 14.960 1.139 1.00 0.00 H new ATOM 428 N LEU A 81 65.243 11.693 -0.951 1.00 0.00 N ATOM 429 CA LEU A 81 65.368 12.109 -2.347 1.00 0.00 C ATOM 430 C LEU A 81 64.364 13.219 -2.678 1.00 0.00 C ATOM 431 O LEU A 81 63.450 13.494 -1.902 1.00 0.00 O ATOM 432 CB LEU A 81 65.116 10.916 -3.275 1.00 0.00 C ATOM 433 CG LEU A 81 66.441 10.423 -3.854 1.00 0.00 C ATOM 434 CD1 LEU A 81 67.340 9.910 -2.727 1.00 0.00 C ATOM 435 CD2 LEU A 81 66.172 9.297 -4.854 1.00 0.00 C ATOM 0 H LEU A 81 64.634 10.888 -0.806 1.00 0.00 H new ATOM 0 HA LEU A 81 66.379 12.488 -2.496 1.00 0.00 H new ATOM 0 HB2 LEU A 81 64.627 10.112 -2.725 1.00 0.00 H new ATOM 0 HB3 LEU A 81 64.442 11.206 -4.081 1.00 0.00 H new ATOM 0 HG LEU A 81 66.942 11.247 -4.362 1.00 0.00 H new ATOM 0 HD11 LEU A 81 68.284 9.560 -3.145 1.00 0.00 H new ATOM 0 HD12 LEU A 81 67.534 10.717 -2.020 1.00 0.00 H new ATOM 0 HD13 LEU A 81 66.844 9.088 -2.212 1.00 0.00 H new ATOM 0 HD21 LEU A 81 67.117 8.944 -5.268 1.00 0.00 H new ATOM 0 HD22 LEU A 81 65.668 8.474 -4.348 1.00 0.00 H new ATOM 0 HD23 LEU A 81 65.539 9.669 -5.660 1.00 0.00 H new ATOM 447 N PRO A 82 64.515 13.848 -3.820 1.00 0.00 N ATOM 448 CA PRO A 82 63.607 14.946 -4.281 1.00 0.00 C ATOM 449 C PRO A 82 62.196 14.450 -4.583 1.00 0.00 C ATOM 450 O PRO A 82 61.262 15.239 -4.694 1.00 0.00 O ATOM 451 CB PRO A 82 64.264 15.474 -5.563 1.00 0.00 C ATOM 452 CG PRO A 82 65.631 14.877 -5.606 1.00 0.00 C ATOM 453 CD PRO A 82 65.559 13.578 -4.814 1.00 0.00 C ATOM 0 HA PRO A 82 63.490 15.706 -3.509 1.00 0.00 H new ATOM 0 HB2 PRO A 82 63.687 15.189 -6.442 1.00 0.00 H new ATOM 0 HB3 PRO A 82 64.315 16.563 -5.555 1.00 0.00 H new ATOM 0 HG2 PRO A 82 65.940 14.688 -6.634 1.00 0.00 H new ATOM 0 HG3 PRO A 82 66.365 15.556 -5.172 1.00 0.00 H new ATOM 0 HD2 PRO A 82 65.299 12.732 -5.451 1.00 0.00 H new ATOM 0 HD3 PRO A 82 66.512 13.341 -4.342 1.00 0.00 H new ATOM 461 N CYS A 83 62.054 13.140 -4.716 1.00 0.00 N ATOM 462 CA CYS A 83 60.755 12.552 -5.001 1.00 0.00 C ATOM 463 C CYS A 83 60.063 12.146 -3.711 1.00 0.00 C ATOM 464 O CYS A 83 58.954 11.608 -3.735 1.00 0.00 O ATOM 465 CB CYS A 83 60.921 11.340 -5.910 1.00 0.00 C ATOM 466 SG CYS A 83 62.145 10.217 -5.195 1.00 0.00 S ATOM 0 H CYS A 83 62.817 12.468 -4.632 1.00 0.00 H new ATOM 0 HA CYS A 83 60.138 13.294 -5.507 1.00 0.00 H new ATOM 0 HB2 CYS A 83 59.966 10.827 -6.029 1.00 0.00 H new ATOM 0 HB3 CYS A 83 61.239 11.657 -6.903 1.00 0.00 H new ATOM 471 N LEU A 84 60.732 12.412 -2.587 1.00 0.00 N ATOM 472 CA LEU A 84 60.200 12.092 -1.280 1.00 0.00 C ATOM 473 C LEU A 84 60.264 10.603 -1.007 1.00 0.00 C ATOM 474 O LEU A 84 59.280 9.980 -0.611 1.00 0.00 O ATOM 475 CB LEU A 84 58.762 12.600 -1.141 1.00 0.00 C ATOM 476 CG LEU A 84 58.525 13.116 0.277 1.00 0.00 C ATOM 477 CD1 LEU A 84 57.100 13.667 0.379 1.00 0.00 C ATOM 478 CD2 LEU A 84 58.701 11.966 1.274 1.00 0.00 C ATOM 0 H LEU A 84 61.652 12.853 -2.567 1.00 0.00 H new ATOM 0 HA LEU A 84 60.820 12.596 -0.539 1.00 0.00 H new ATOM 0 HB2 LEU A 84 58.578 13.396 -1.862 1.00 0.00 H new ATOM 0 HB3 LEU A 84 58.060 11.797 -1.367 1.00 0.00 H new ATOM 0 HG LEU A 84 59.241 13.906 0.506 1.00 0.00 H new ATOM 0 HD11 LEU A 84 56.924 14.037 1.389 1.00 0.00 H new ATOM 0 HD12 LEU A 84 56.973 14.482 -0.333 1.00 0.00 H new ATOM 0 HD13 LEU A 84 56.386 12.874 0.154 1.00 0.00 H new ATOM 0 HD21 LEU A 84 58.532 12.333 2.286 1.00 0.00 H new ATOM 0 HD22 LEU A 84 57.983 11.177 1.050 1.00 0.00 H new ATOM 0 HD23 LEU A 84 59.713 11.569 1.196 1.00 0.00 H new ATOM 490 N HIS A 85 61.440 10.046 -1.201 1.00 0.00 N ATOM 491 CA HIS A 85 61.651 8.639 -0.946 1.00 0.00 C ATOM 492 C HIS A 85 62.850 8.464 -0.043 1.00 0.00 C ATOM 493 O HIS A 85 63.957 8.893 -0.366 1.00 0.00 O ATOM 494 CB HIS A 85 61.883 7.893 -2.249 1.00 0.00 C ATOM 495 CG HIS A 85 60.615 7.904 -3.056 1.00 0.00 C ATOM 496 ND1 HIS A 85 60.609 7.753 -4.429 1.00 0.00 N ATOM 497 CD2 HIS A 85 59.300 8.040 -2.687 1.00 0.00 C ATOM 498 CE1 HIS A 85 59.329 7.809 -4.838 1.00 0.00 C ATOM 499 NE2 HIS A 85 58.490 7.982 -3.815 1.00 0.00 N ATOM 0 H HIS A 85 62.264 10.546 -1.534 1.00 0.00 H new ATOM 0 HA HIS A 85 60.763 8.232 -0.462 1.00 0.00 H new ATOM 0 HB2 HIS A 85 62.691 8.361 -2.812 1.00 0.00 H new ATOM 0 HB3 HIS A 85 62.190 6.867 -2.045 1.00 0.00 H new ATOM 0 HD2 HIS A 85 58.948 8.172 -1.674 1.00 0.00 H new ATOM 0 HE1 HIS A 85 59.018 7.724 -5.869 1.00 0.00 H new ATOM 0 HE2 HIS A 85 57.473 8.056 -3.853 1.00 0.00 H new ATOM 507 N SER A 86 62.620 7.842 1.090 1.00 0.00 N ATOM 508 CA SER A 86 63.691 7.620 2.044 1.00 0.00 C ATOM 509 C SER A 86 64.415 6.320 1.729 1.00 0.00 C ATOM 510 O SER A 86 63.788 5.283 1.510 1.00 0.00 O ATOM 511 CB SER A 86 63.130 7.552 3.459 1.00 0.00 C ATOM 512 OG SER A 86 62.061 8.480 3.590 1.00 0.00 O ATOM 0 H SER A 86 61.710 7.482 1.376 1.00 0.00 H new ATOM 0 HA SER A 86 64.393 8.451 1.972 1.00 0.00 H new ATOM 0 HB2 SER A 86 62.778 6.543 3.674 1.00 0.00 H new ATOM 0 HB3 SER A 86 63.913 7.778 4.183 1.00 0.00 H new ATOM 0 HG SER A 86 61.400 8.130 4.223 1.00 0.00 H new ATOM 518 N ALA A 87 65.740 6.382 1.709 1.00 0.00 N ATOM 519 CA ALA A 87 66.547 5.199 1.418 1.00 0.00 C ATOM 520 C ALA A 87 67.893 5.275 2.126 1.00 0.00 C ATOM 521 O ALA A 87 68.329 6.345 2.547 1.00 0.00 O ATOM 522 CB ALA A 87 66.765 5.056 -0.095 1.00 0.00 C ATOM 0 H ALA A 87 66.277 7.230 1.889 1.00 0.00 H new ATOM 0 HA ALA A 87 66.007 4.326 1.784 1.00 0.00 H new ATOM 0 HB1 ALA A 87 67.368 4.170 -0.294 1.00 0.00 H new ATOM 0 HB2 ALA A 87 65.801 4.958 -0.594 1.00 0.00 H new ATOM 0 HB3 ALA A 87 67.281 5.938 -0.473 1.00 0.00 H new ATOM 528 N CYS A 88 68.547 4.130 2.244 1.00 0.00 N ATOM 529 CA CYS A 88 69.847 4.073 2.892 1.00 0.00 C ATOM 530 C CYS A 88 70.857 4.833 2.050 1.00 0.00 C ATOM 531 O CYS A 88 70.878 4.684 0.842 1.00 0.00 O ATOM 532 CB CYS A 88 70.308 2.617 3.016 1.00 0.00 C ATOM 533 SG CYS A 88 68.909 1.561 3.467 1.00 0.00 S ATOM 0 H CYS A 88 68.202 3.233 1.902 1.00 0.00 H new ATOM 0 HA CYS A 88 69.770 4.516 3.885 1.00 0.00 H new ATOM 0 HB2 CYS A 88 70.738 2.281 2.072 1.00 0.00 H new ATOM 0 HB3 CYS A 88 71.092 2.538 3.769 1.00 0.00 H new ATOM 538 N SER A 89 71.703 5.633 2.676 1.00 0.00 N ATOM 539 CA SER A 89 72.690 6.380 1.919 1.00 0.00 C ATOM 540 C SER A 89 73.537 5.418 1.096 1.00 0.00 C ATOM 541 O SER A 89 73.818 5.672 -0.073 1.00 0.00 O ATOM 542 CB SER A 89 73.584 7.179 2.868 1.00 0.00 C ATOM 543 OG SER A 89 74.573 7.872 2.118 1.00 0.00 O ATOM 0 H SER A 89 71.727 5.780 3.685 1.00 0.00 H new ATOM 0 HA SER A 89 72.179 7.073 1.251 1.00 0.00 H new ATOM 0 HB2 SER A 89 72.984 7.887 3.440 1.00 0.00 H new ATOM 0 HB3 SER A 89 74.059 6.511 3.586 1.00 0.00 H new ATOM 0 HG SER A 89 75.145 8.385 2.726 1.00 0.00 H new ATOM 549 N ALA A 90 73.917 4.298 1.701 1.00 0.00 N ATOM 550 CA ALA A 90 74.707 3.303 0.984 1.00 0.00 C ATOM 551 C ALA A 90 73.915 2.794 -0.218 1.00 0.00 C ATOM 552 O ALA A 90 74.468 2.610 -1.299 1.00 0.00 O ATOM 553 CB ALA A 90 75.058 2.138 1.910 1.00 0.00 C ATOM 0 H ALA A 90 73.696 4.058 2.668 1.00 0.00 H new ATOM 0 HA ALA A 90 75.633 3.763 0.639 1.00 0.00 H new ATOM 0 HB1 ALA A 90 75.648 1.403 1.362 1.00 0.00 H new ATOM 0 HB2 ALA A 90 75.635 2.508 2.757 1.00 0.00 H new ATOM 0 HB3 ALA A 90 74.142 1.672 2.272 1.00 0.00 H new ATOM 559 N CYS A 91 72.613 2.598 -0.024 1.00 0.00 N ATOM 560 CA CYS A 91 71.743 2.144 -1.098 1.00 0.00 C ATOM 561 C CYS A 91 71.606 3.233 -2.153 1.00 0.00 C ATOM 562 O CYS A 91 71.454 2.954 -3.343 1.00 0.00 O ATOM 563 CB CYS A 91 70.374 1.754 -0.545 1.00 0.00 C ATOM 564 SG CYS A 91 70.553 0.218 0.394 1.00 0.00 S ATOM 0 H CYS A 91 72.140 2.747 0.868 1.00 0.00 H new ATOM 0 HA CYS A 91 72.186 1.263 -1.563 1.00 0.00 H new ATOM 0 HB2 CYS A 91 69.984 2.546 0.094 1.00 0.00 H new ATOM 0 HB3 CYS A 91 69.661 1.620 -1.358 1.00 0.00 H new ATOM 569 N LEU A 92 71.645 4.472 -1.692 1.00 0.00 N ATOM 570 CA LEU A 92 71.520 5.625 -2.568 1.00 0.00 C ATOM 571 C LEU A 92 72.764 5.812 -3.447 1.00 0.00 C ATOM 572 O LEU A 92 72.679 6.393 -4.527 1.00 0.00 O ATOM 573 CB LEU A 92 71.269 6.882 -1.731 1.00 0.00 C ATOM 574 CG LEU A 92 69.871 6.808 -1.097 1.00 0.00 C ATOM 575 CD1 LEU A 92 69.674 7.956 -0.102 1.00 0.00 C ATOM 576 CD2 LEU A 92 68.809 6.894 -2.188 1.00 0.00 C ATOM 0 H LEU A 92 71.763 4.706 -0.706 1.00 0.00 H new ATOM 0 HA LEU A 92 70.674 5.452 -3.234 1.00 0.00 H new ATOM 0 HB2 LEU A 92 72.028 6.971 -0.954 1.00 0.00 H new ATOM 0 HB3 LEU A 92 71.349 7.770 -2.358 1.00 0.00 H new ATOM 0 HG LEU A 92 69.777 5.861 -0.566 1.00 0.00 H new ATOM 0 HD11 LEU A 92 68.679 7.889 0.338 1.00 0.00 H new ATOM 0 HD12 LEU A 92 70.425 7.888 0.685 1.00 0.00 H new ATOM 0 HD13 LEU A 92 69.778 8.909 -0.621 1.00 0.00 H new ATOM 0 HD21 LEU A 92 67.818 6.841 -1.736 1.00 0.00 H new ATOM 0 HD22 LEU A 92 68.914 7.837 -2.724 1.00 0.00 H new ATOM 0 HD23 LEU A 92 68.935 6.065 -2.884 1.00 0.00 H new ATOM 588 N GLY A 93 73.919 5.342 -2.979 1.00 0.00 N ATOM 589 CA GLY A 93 75.162 5.501 -3.746 1.00 0.00 C ATOM 590 C GLY A 93 75.045 4.897 -5.147 1.00 0.00 C ATOM 591 O GLY A 93 75.176 5.606 -6.147 1.00 0.00 O ATOM 0 H GLY A 93 74.025 4.856 -2.089 1.00 0.00 H new ATOM 0 HA2 GLY A 93 75.407 6.560 -3.826 1.00 0.00 H new ATOM 0 HA3 GLY A 93 75.983 5.023 -3.211 1.00 0.00 H new ATOM 595 N PRO A 94 74.783 3.619 -5.239 1.00 0.00 N ATOM 596 CA PRO A 94 74.621 2.914 -6.548 1.00 0.00 C ATOM 597 C PRO A 94 73.487 3.509 -7.382 1.00 0.00 C ATOM 598 O PRO A 94 73.392 3.261 -8.584 1.00 0.00 O ATOM 599 CB PRO A 94 74.305 1.467 -6.150 1.00 0.00 C ATOM 600 CG PRO A 94 74.814 1.325 -4.757 1.00 0.00 C ATOM 601 CD PRO A 94 74.635 2.695 -4.109 1.00 0.00 C ATOM 0 HA PRO A 94 75.510 3.002 -7.172 1.00 0.00 H new ATOM 0 HB2 PRO A 94 73.234 1.270 -6.200 1.00 0.00 H new ATOM 0 HB3 PRO A 94 74.791 0.759 -6.821 1.00 0.00 H new ATOM 0 HG2 PRO A 94 74.259 0.560 -4.214 1.00 0.00 H new ATOM 0 HG3 PRO A 94 75.861 1.024 -4.752 1.00 0.00 H new ATOM 0 HD2 PRO A 94 73.659 2.792 -3.634 1.00 0.00 H new ATOM 0 HD3 PRO A 94 75.384 2.877 -3.338 1.00 0.00 H new ATOM 609 N ALA A 95 72.626 4.286 -6.729 1.00 0.00 N ATOM 610 CA ALA A 95 71.495 4.902 -7.410 1.00 0.00 C ATOM 611 C ALA A 95 71.975 5.802 -8.547 1.00 0.00 C ATOM 612 O ALA A 95 71.358 5.847 -9.610 1.00 0.00 O ATOM 613 CB ALA A 95 70.679 5.728 -6.410 1.00 0.00 C ATOM 0 H ALA A 95 72.691 4.502 -5.734 1.00 0.00 H new ATOM 0 HA ALA A 95 70.871 4.113 -7.830 1.00 0.00 H new ATOM 0 HB1 ALA A 95 69.834 6.188 -6.922 1.00 0.00 H new ATOM 0 HB2 ALA A 95 70.312 5.078 -5.615 1.00 0.00 H new ATOM 0 HB3 ALA A 95 71.310 6.506 -5.981 1.00 0.00 H new ATOM 619 N ALA A 96 73.076 6.514 -8.324 1.00 0.00 N ATOM 620 CA ALA A 96 73.612 7.401 -9.351 1.00 0.00 C ATOM 621 C ALA A 96 74.101 6.584 -10.555 1.00 0.00 C ATOM 622 O ALA A 96 74.586 5.465 -10.390 1.00 0.00 O ATOM 623 CB ALA A 96 74.773 8.221 -8.782 1.00 0.00 C ATOM 0 H ALA A 96 73.608 6.495 -7.454 1.00 0.00 H new ATOM 0 HA ALA A 96 72.820 8.076 -9.676 1.00 0.00 H new ATOM 0 HB1 ALA A 96 75.167 8.880 -9.556 1.00 0.00 H new ATOM 0 HB2 ALA A 96 74.419 8.819 -7.942 1.00 0.00 H new ATOM 0 HB3 ALA A 96 75.561 7.549 -8.443 1.00 0.00 H new ATOM 629 N PRO A 97 73.981 7.108 -11.755 1.00 0.00 N ATOM 630 CA PRO A 97 74.418 6.390 -12.992 1.00 0.00 C ATOM 631 C PRO A 97 75.940 6.276 -13.101 1.00 0.00 C ATOM 632 O PRO A 97 76.458 5.415 -13.811 1.00 0.00 O ATOM 633 CB PRO A 97 73.852 7.247 -14.125 1.00 0.00 C ATOM 634 CG PRO A 97 73.752 8.619 -13.554 1.00 0.00 C ATOM 635 CD PRO A 97 73.422 8.435 -12.074 1.00 0.00 C ATOM 0 HA PRO A 97 74.063 5.359 -13.008 1.00 0.00 H new ATOM 0 HB2 PRO A 97 74.504 7.229 -14.998 1.00 0.00 H new ATOM 0 HB3 PRO A 97 72.877 6.881 -14.448 1.00 0.00 H new ATOM 0 HG2 PRO A 97 74.688 9.164 -13.681 1.00 0.00 H new ATOM 0 HG3 PRO A 97 72.977 9.196 -14.058 1.00 0.00 H new ATOM 0 HD2 PRO A 97 73.873 9.217 -11.463 1.00 0.00 H new ATOM 0 HD3 PRO A 97 72.347 8.470 -11.896 1.00 0.00 H new ATOM 643 N ALA A 98 76.646 7.152 -12.396 1.00 0.00 N ATOM 644 CA ALA A 98 78.105 7.141 -12.427 1.00 0.00 C ATOM 645 C ALA A 98 78.612 7.351 -13.853 1.00 0.00 C ATOM 646 O ALA A 98 79.632 6.787 -14.250 1.00 0.00 O ATOM 647 CB ALA A 98 78.632 5.812 -11.883 1.00 0.00 C ATOM 0 H ALA A 98 76.238 7.873 -11.801 1.00 0.00 H new ATOM 0 HA ALA A 98 78.469 7.956 -11.801 1.00 0.00 H new ATOM 0 HB1 ALA A 98 79.722 5.814 -11.910 1.00 0.00 H new ATOM 0 HB2 ALA A 98 78.295 5.681 -10.855 1.00 0.00 H new ATOM 0 HB3 ALA A 98 78.255 4.993 -12.496 1.00 0.00 H new ATOM 653 N ALA A 99 77.889 8.169 -14.612 1.00 0.00 N ATOM 654 CA ALA A 99 78.259 8.460 -15.994 1.00 0.00 C ATOM 655 C ALA A 99 78.103 7.219 -16.866 1.00 0.00 C ATOM 656 O ALA A 99 78.833 7.033 -17.839 1.00 0.00 O ATOM 657 CB ALA A 99 79.705 8.958 -16.060 1.00 0.00 C ATOM 0 H ALA A 99 77.043 8.642 -14.294 1.00 0.00 H new ATOM 0 HA ALA A 99 77.593 9.238 -16.369 1.00 0.00 H new ATOM 0 HB1 ALA A 99 79.969 9.172 -17.096 1.00 0.00 H new ATOM 0 HB2 ALA A 99 79.805 9.866 -15.465 1.00 0.00 H new ATOM 0 HB3 ALA A 99 80.372 8.191 -15.666 1.00 0.00 H new ATOM 663 N ALA A 100 77.138 6.380 -16.511 1.00 0.00 N ATOM 664 CA ALA A 100 76.876 5.161 -17.267 1.00 0.00 C ATOM 665 C ALA A 100 75.453 5.161 -17.833 1.00 0.00 C ATOM 666 O ALA A 100 74.998 4.152 -18.372 1.00 0.00 O ATOM 667 CB ALA A 100 77.070 3.940 -16.365 1.00 0.00 C ATOM 0 H ALA A 100 76.526 6.520 -15.707 1.00 0.00 H new ATOM 0 HA ALA A 100 77.578 5.118 -18.100 1.00 0.00 H new ATOM 0 HB1 ALA A 100 76.873 3.032 -16.935 1.00 0.00 H new ATOM 0 HB2 ALA A 100 78.095 3.921 -15.994 1.00 0.00 H new ATOM 0 HB3 ALA A 100 76.380 3.997 -15.523 1.00 0.00 H new ATOM 673 N ASN A 101 74.749 6.289 -17.706 1.00 0.00 N ATOM 674 CA ASN A 101 73.383 6.377 -18.210 1.00 0.00 C ATOM 675 C ASN A 101 73.039 7.808 -18.625 1.00 0.00 C ATOM 676 O ASN A 101 73.160 8.752 -17.834 1.00 0.00 O ATOM 677 CB ASN A 101 72.401 5.906 -17.137 1.00 0.00 C ATOM 678 CG ASN A 101 71.039 5.628 -17.762 1.00 0.00 C ATOM 679 OD1 ASN A 101 70.960 5.160 -18.898 1.00 0.00 O ATOM 680 ND2 ASN A 101 69.955 5.885 -17.083 1.00 0.00 N ATOM 0 H ASN A 101 75.098 7.140 -17.265 1.00 0.00 H new ATOM 0 HA ASN A 101 73.305 5.735 -19.088 1.00 0.00 H new ATOM 0 HB2 ASN A 101 72.780 5.004 -16.656 1.00 0.00 H new ATOM 0 HB3 ASN A 101 72.306 6.665 -16.361 1.00 0.00 H new ATOM 0 HD21 ASN A 101 69.040 5.698 -17.493 1.00 0.00 H new ATOM 0 HD22 ASN A 101 70.023 6.273 -16.142 1.00 0.00 H new ATOM 687 N SER A 102 72.600 7.956 -19.875 1.00 0.00 N ATOM 688 CA SER A 102 72.229 9.264 -20.400 1.00 0.00 C ATOM 689 C SER A 102 70.916 9.734 -19.780 1.00 0.00 C ATOM 690 O SER A 102 70.172 8.938 -19.208 1.00 0.00 O ATOM 691 CB SER A 102 72.077 9.196 -21.919 1.00 0.00 C ATOM 692 OG SER A 102 70.924 8.428 -22.244 1.00 0.00 O ATOM 0 H SER A 102 72.494 7.188 -20.538 1.00 0.00 H new ATOM 0 HA SER A 102 73.017 9.973 -20.146 1.00 0.00 H new ATOM 0 HB2 SER A 102 71.987 10.201 -22.332 1.00 0.00 H new ATOM 0 HB3 SER A 102 72.964 8.747 -22.365 1.00 0.00 H new ATOM 0 HG SER A 102 70.824 8.385 -23.218 1.00 0.00 H new ATOM 698 N SER A 103 70.635 11.027 -19.901 1.00 0.00 N ATOM 699 CA SER A 103 69.403 11.585 -19.350 1.00 0.00 C ATOM 700 C SER A 103 68.443 11.969 -20.471 1.00 0.00 C ATOM 701 O SER A 103 68.780 12.770 -21.346 1.00 0.00 O ATOM 702 CB SER A 103 69.722 12.820 -18.507 1.00 0.00 C ATOM 703 OG SER A 103 68.507 13.416 -18.069 1.00 0.00 O ATOM 0 H SER A 103 71.236 11.704 -20.371 1.00 0.00 H new ATOM 0 HA SER A 103 68.931 10.828 -18.723 1.00 0.00 H new ATOM 0 HB2 SER A 103 70.334 12.541 -17.649 1.00 0.00 H new ATOM 0 HB3 SER A 103 70.301 13.535 -19.092 1.00 0.00 H new ATOM 0 HG SER A 103 68.708 14.207 -17.527 1.00 0.00 H new ATOM 709 N GLY A 104 67.243 11.401 -20.443 1.00 0.00 N ATOM 710 CA GLY A 104 66.253 11.702 -21.466 1.00 0.00 C ATOM 711 C GLY A 104 65.798 13.152 -21.364 1.00 0.00 C ATOM 712 O GLY A 104 65.455 13.632 -20.285 1.00 0.00 O ATOM 0 H GLY A 104 66.936 10.738 -19.732 1.00 0.00 H new ATOM 0 HA2 GLY A 104 66.675 11.517 -22.454 1.00 0.00 H new ATOM 0 HA3 GLY A 104 65.396 11.038 -21.356 1.00 0.00 H new ATOM 716 N ASP A 105 65.800 13.845 -22.497 1.00 0.00 N ATOM 717 CA ASP A 105 65.388 15.241 -22.524 1.00 0.00 C ATOM 718 C ASP A 105 66.142 16.038 -21.464 1.00 0.00 C ATOM 719 O ASP A 105 65.638 17.036 -20.950 1.00 0.00 O ATOM 720 CB ASP A 105 63.883 15.345 -22.272 1.00 0.00 C ATOM 721 CG ASP A 105 63.127 14.471 -23.266 1.00 0.00 C ATOM 722 OD1 ASP A 105 62.884 13.318 -22.946 1.00 0.00 O ATOM 723 OD2 ASP A 105 62.804 14.964 -24.334 1.00 0.00 O ATOM 0 H ASP A 105 66.080 13.466 -23.402 1.00 0.00 H new ATOM 0 HA ASP A 105 65.619 15.653 -23.506 1.00 0.00 H new ATOM 0 HB2 ASP A 105 63.654 15.033 -21.253 1.00 0.00 H new ATOM 0 HB3 ASP A 105 63.561 16.382 -22.368 1.00 0.00 H new ATOM 728 N GLY A 106 67.354 15.591 -21.143 1.00 0.00 N ATOM 729 CA GLY A 106 68.167 16.274 -20.144 1.00 0.00 C ATOM 730 C GLY A 106 69.391 16.914 -20.788 1.00 0.00 C ATOM 731 O GLY A 106 69.496 16.978 -22.012 1.00 0.00 O ATOM 0 H GLY A 106 67.790 14.767 -21.556 1.00 0.00 H new ATOM 0 HA2 GLY A 106 67.572 17.038 -19.645 1.00 0.00 H new ATOM 0 HA3 GLY A 106 68.482 15.565 -19.378 1.00 0.00 H new ATOM 735 N GLY A 107 70.314 17.385 -19.958 1.00 0.00 N ATOM 736 CA GLY A 107 71.526 18.015 -20.465 1.00 0.00 C ATOM 737 C GLY A 107 72.333 17.036 -21.311 1.00 0.00 C ATOM 738 O GLY A 107 72.865 17.402 -22.359 1.00 0.00 O ATOM 0 H GLY A 107 70.248 17.343 -18.941 1.00 0.00 H new ATOM 0 HA2 GLY A 107 71.264 18.889 -21.062 1.00 0.00 H new ATOM 0 HA3 GLY A 107 72.133 18.369 -19.632 1.00 0.00 H new ATOM 742 N ALA A 108 72.415 15.791 -20.852 1.00 0.00 N ATOM 743 CA ALA A 108 73.157 14.767 -21.580 1.00 0.00 C ATOM 744 C ALA A 108 73.176 13.456 -20.799 1.00 0.00 C ATOM 745 O ALA A 108 72.755 12.415 -21.301 1.00 0.00 O ATOM 746 CB ALA A 108 74.594 15.234 -21.823 1.00 0.00 C ATOM 0 H ALA A 108 71.981 15.468 -19.987 1.00 0.00 H new ATOM 0 HA ALA A 108 72.660 14.601 -22.536 1.00 0.00 H new ATOM 0 HB1 ALA A 108 75.140 14.463 -22.367 1.00 0.00 H new ATOM 0 HB2 ALA A 108 74.584 16.153 -22.409 1.00 0.00 H new ATOM 0 HB3 ALA A 108 75.083 15.419 -20.867 1.00 0.00 H new ATOM 752 N ALA A 109 73.671 13.517 -19.568 1.00 0.00 N ATOM 753 CA ALA A 109 73.746 12.329 -18.726 1.00 0.00 C ATOM 754 C ALA A 109 73.636 12.709 -17.257 1.00 0.00 C ATOM 755 O ALA A 109 73.832 13.866 -16.886 1.00 0.00 O ATOM 756 CB ALA A 109 75.068 11.598 -18.966 1.00 0.00 C ATOM 0 H ALA A 109 74.024 14.370 -19.133 1.00 0.00 H new ATOM 0 HA ALA A 109 72.916 11.672 -18.985 1.00 0.00 H new ATOM 0 HB1 ALA A 109 75.114 10.712 -18.332 1.00 0.00 H new ATOM 0 HB2 ALA A 109 75.134 11.300 -20.012 1.00 0.00 H new ATOM 0 HB3 ALA A 109 75.899 12.261 -18.725 1.00 0.00 H new ATOM 762 N GLY A 110 73.326 11.726 -16.419 1.00 0.00 N ATOM 763 CA GLY A 110 73.201 11.980 -14.989 1.00 0.00 C ATOM 764 C GLY A 110 74.577 12.080 -14.352 1.00 0.00 C ATOM 765 O GLY A 110 75.517 12.582 -14.973 1.00 0.00 O ATOM 0 H GLY A 110 73.159 10.760 -16.699 1.00 0.00 H new ATOM 0 HA2 GLY A 110 72.647 12.904 -14.823 1.00 0.00 H new ATOM 0 HA3 GLY A 110 72.632 11.179 -14.518 1.00 0.00 H new ATOM 769 N ASP A 111 74.677 11.599 -13.114 1.00 0.00 N ATOM 770 CA ASP A 111 75.944 11.614 -12.368 1.00 0.00 C ATOM 771 C ASP A 111 76.248 13.003 -11.817 1.00 0.00 C ATOM 772 O ASP A 111 76.926 13.806 -12.459 1.00 0.00 O ATOM 773 CB ASP A 111 77.108 11.152 -13.253 1.00 0.00 C ATOM 774 CG ASP A 111 78.200 10.509 -12.403 1.00 0.00 C ATOM 775 OD1 ASP A 111 78.095 10.567 -11.190 1.00 0.00 O ATOM 776 OD2 ASP A 111 79.129 9.967 -12.982 1.00 0.00 O ATOM 0 H ASP A 111 73.895 11.192 -12.601 1.00 0.00 H new ATOM 0 HA ASP A 111 75.832 10.922 -11.533 1.00 0.00 H new ATOM 0 HB2 ASP A 111 76.748 10.439 -13.995 1.00 0.00 H new ATOM 0 HB3 ASP A 111 77.517 12.002 -13.800 1.00 0.00 H new ATOM 781 N GLY A 112 75.727 13.277 -10.631 1.00 0.00 N ATOM 782 CA GLY A 112 75.921 14.565 -9.991 1.00 0.00 C ATOM 783 C GLY A 112 74.640 15.374 -10.055 1.00 0.00 C ATOM 784 O GLY A 112 74.454 16.325 -9.297 1.00 0.00 O ATOM 0 H GLY A 112 75.164 12.620 -10.091 1.00 0.00 H new ATOM 0 HA2 GLY A 112 76.220 14.423 -8.952 1.00 0.00 H new ATOM 0 HA3 GLY A 112 76.728 15.107 -10.483 1.00 0.00 H new ATOM 788 N THR A 113 73.750 14.973 -10.955 1.00 0.00 N ATOM 789 CA THR A 113 72.476 15.645 -11.102 1.00 0.00 C ATOM 790 C THR A 113 71.333 14.685 -10.764 1.00 0.00 C ATOM 791 O THR A 113 71.290 14.144 -9.659 1.00 0.00 O ATOM 792 CB THR A 113 72.361 16.248 -12.513 1.00 0.00 C ATOM 793 OG1 THR A 113 71.054 16.775 -12.705 1.00 0.00 O ATOM 794 CG2 THR A 113 72.654 15.184 -13.576 1.00 0.00 C ATOM 0 H THR A 113 73.892 14.187 -11.590 1.00 0.00 H new ATOM 0 HA THR A 113 72.407 16.474 -10.397 1.00 0.00 H new ATOM 0 HB THR A 113 73.093 17.050 -12.612 1.00 0.00 H new ATOM 0 HG1 THR A 113 70.985 17.160 -13.604 1.00 0.00 H new ATOM 0 HG21 THR A 113 72.568 15.627 -14.568 1.00 0.00 H new ATOM 0 HG22 THR A 113 73.664 14.799 -13.437 1.00 0.00 H new ATOM 0 HG23 THR A 113 71.938 14.368 -13.481 1.00 0.00 H new ATOM 802 N VAL A 114 70.407 14.472 -11.688 1.00 0.00 N ATOM 803 CA VAL A 114 69.293 13.583 -11.421 1.00 0.00 C ATOM 804 C VAL A 114 69.799 12.173 -11.167 1.00 0.00 C ATOM 805 O VAL A 114 70.832 11.765 -11.698 1.00 0.00 O ATOM 806 CB VAL A 114 68.338 13.575 -12.614 1.00 0.00 C ATOM 807 CG1 VAL A 114 68.086 15.006 -13.084 1.00 0.00 C ATOM 808 CG2 VAL A 114 68.959 12.766 -13.755 1.00 0.00 C ATOM 0 H VAL A 114 70.406 14.897 -12.615 1.00 0.00 H new ATOM 0 HA VAL A 114 68.765 13.938 -10.536 1.00 0.00 H new ATOM 0 HB VAL A 114 67.392 13.123 -12.316 1.00 0.00 H new ATOM 0 HG11 VAL A 114 67.405 14.995 -13.935 1.00 0.00 H new ATOM 0 HG12 VAL A 114 67.643 15.583 -12.272 1.00 0.00 H new ATOM 0 HG13 VAL A 114 69.030 15.463 -13.381 1.00 0.00 H new ATOM 0 HG21 VAL A 114 68.280 12.759 -14.607 1.00 0.00 H new ATOM 0 HG22 VAL A 114 69.906 13.219 -14.049 1.00 0.00 H new ATOM 0 HG23 VAL A 114 69.135 11.743 -13.422 1.00 0.00 H new ATOM 818 N VAL A 115 69.075 11.439 -10.342 1.00 0.00 N ATOM 819 CA VAL A 115 69.467 10.085 -10.005 1.00 0.00 C ATOM 820 C VAL A 115 68.356 9.107 -10.334 1.00 0.00 C ATOM 821 O VAL A 115 67.198 9.328 -9.983 1.00 0.00 O ATOM 822 CB VAL A 115 69.785 10.010 -8.520 1.00 0.00 C ATOM 823 CG1 VAL A 115 70.224 8.589 -8.152 1.00 0.00 C ATOM 824 CG2 VAL A 115 70.897 11.012 -8.194 1.00 0.00 C ATOM 0 H VAL A 115 68.215 11.757 -9.895 1.00 0.00 H new ATOM 0 HA VAL A 115 70.348 9.819 -10.590 1.00 0.00 H new ATOM 0 HB VAL A 115 68.896 10.258 -7.940 1.00 0.00 H new ATOM 0 HG11 VAL A 115 70.450 8.542 -7.087 1.00 0.00 H new ATOM 0 HG12 VAL A 115 69.421 7.889 -8.383 1.00 0.00 H new ATOM 0 HG13 VAL A 115 71.113 8.323 -8.724 1.00 0.00 H new ATOM 0 HG21 VAL A 115 71.130 10.964 -7.130 1.00 0.00 H new ATOM 0 HG22 VAL A 115 71.788 10.768 -8.772 1.00 0.00 H new ATOM 0 HG23 VAL A 115 70.565 12.019 -8.447 1.00 0.00 H new ATOM 834 N ASP A 116 68.712 8.025 -11.002 1.00 0.00 N ATOM 835 CA ASP A 116 67.724 7.022 -11.362 1.00 0.00 C ATOM 836 C ASP A 116 67.209 6.341 -10.111 1.00 0.00 C ATOM 837 O ASP A 116 67.767 5.350 -9.638 1.00 0.00 O ATOM 838 CB ASP A 116 68.330 5.989 -12.315 1.00 0.00 C ATOM 839 CG ASP A 116 69.721 5.585 -11.835 1.00 0.00 C ATOM 840 OD1 ASP A 116 70.621 6.404 -11.938 1.00 0.00 O ATOM 841 OD2 ASP A 116 69.865 4.467 -11.368 1.00 0.00 O ATOM 0 H ASP A 116 69.664 7.819 -11.303 1.00 0.00 H new ATOM 0 HA ASP A 116 66.894 7.512 -11.871 1.00 0.00 H new ATOM 0 HB2 ASP A 116 67.686 5.111 -12.369 1.00 0.00 H new ATOM 0 HB3 ASP A 116 68.390 6.403 -13.322 1.00 0.00 H new ATOM 846 N CYS A 117 66.127 6.896 -9.592 1.00 0.00 N ATOM 847 CA CYS A 117 65.490 6.381 -8.401 1.00 0.00 C ATOM 848 C CYS A 117 64.724 5.116 -8.761 1.00 0.00 C ATOM 849 O CYS A 117 64.008 5.115 -9.739 1.00 0.00 O ATOM 850 CB CYS A 117 64.519 7.439 -7.874 1.00 0.00 C ATOM 851 SG CYS A 117 64.080 7.056 -6.161 1.00 0.00 S ATOM 0 H CYS A 117 65.668 7.717 -9.988 1.00 0.00 H new ATOM 0 HA CYS A 117 66.233 6.150 -7.638 1.00 0.00 H new ATOM 0 HB2 CYS A 117 64.975 8.427 -7.931 1.00 0.00 H new ATOM 0 HB3 CYS A 117 63.622 7.465 -8.493 1.00 0.00 H new ATOM 856 N PRO A 118 64.832 4.043 -8.035 1.00 0.00 N ATOM 857 CA PRO A 118 64.084 2.811 -8.394 1.00 0.00 C ATOM 858 C PRO A 118 62.571 3.014 -8.359 1.00 0.00 C ATOM 859 O PRO A 118 61.818 2.176 -8.852 1.00 0.00 O ATOM 860 CB PRO A 118 64.522 1.787 -7.351 1.00 0.00 C ATOM 861 CG PRO A 118 65.055 2.589 -6.208 1.00 0.00 C ATOM 862 CD PRO A 118 65.652 3.851 -6.827 1.00 0.00 C ATOM 0 HA PRO A 118 64.300 2.497 -9.415 1.00 0.00 H new ATOM 0 HB2 PRO A 118 63.685 1.163 -7.037 1.00 0.00 H new ATOM 0 HB3 PRO A 118 65.284 1.119 -7.752 1.00 0.00 H new ATOM 0 HG2 PRO A 118 64.263 2.837 -5.502 1.00 0.00 H new ATOM 0 HG3 PRO A 118 65.810 2.029 -5.656 1.00 0.00 H new ATOM 0 HD2 PRO A 118 65.583 4.704 -6.152 1.00 0.00 H new ATOM 0 HD3 PRO A 118 66.707 3.722 -7.071 1.00 0.00 H new ATOM 870 N VAL A 119 62.126 4.109 -7.756 1.00 0.00 N ATOM 871 CA VAL A 119 60.694 4.362 -7.654 1.00 0.00 C ATOM 872 C VAL A 119 60.177 5.254 -8.785 1.00 0.00 C ATOM 873 O VAL A 119 59.184 4.924 -9.434 1.00 0.00 O ATOM 874 CB VAL A 119 60.379 5.018 -6.312 1.00 0.00 C ATOM 875 CG1 VAL A 119 58.871 4.966 -6.077 1.00 0.00 C ATOM 876 CG2 VAL A 119 61.101 4.271 -5.186 1.00 0.00 C ATOM 0 H VAL A 119 62.722 4.823 -7.338 1.00 0.00 H new ATOM 0 HA VAL A 119 60.191 3.398 -7.734 1.00 0.00 H new ATOM 0 HB VAL A 119 60.717 6.054 -6.323 1.00 0.00 H new ATOM 0 HG11 VAL A 119 58.636 5.432 -5.120 1.00 0.00 H new ATOM 0 HG12 VAL A 119 58.359 5.501 -6.877 1.00 0.00 H new ATOM 0 HG13 VAL A 119 58.540 3.927 -6.066 1.00 0.00 H new ATOM 0 HG21 VAL A 119 60.872 4.744 -4.231 1.00 0.00 H new ATOM 0 HG22 VAL A 119 60.768 3.233 -5.166 1.00 0.00 H new ATOM 0 HG23 VAL A 119 62.177 4.304 -5.359 1.00 0.00 H new ATOM 886 N CYS A 120 60.836 6.383 -9.011 1.00 0.00 N ATOM 887 CA CYS A 120 60.408 7.305 -10.065 1.00 0.00 C ATOM 888 C CYS A 120 61.339 7.199 -11.261 1.00 0.00 C ATOM 889 O CYS A 120 60.941 7.421 -12.405 1.00 0.00 O ATOM 890 CB CYS A 120 60.438 8.742 -9.545 1.00 0.00 C ATOM 891 SG CYS A 120 60.530 8.729 -7.742 1.00 0.00 S ATOM 0 H CYS A 120 61.659 6.683 -8.488 1.00 0.00 H new ATOM 0 HA CYS A 120 59.394 7.041 -10.364 1.00 0.00 H new ATOM 0 HB2 CYS A 120 61.296 9.272 -9.960 1.00 0.00 H new ATOM 0 HB3 CYS A 120 59.545 9.276 -9.870 1.00 0.00 H new ATOM 896 N LYS A 121 62.582 6.851 -10.972 1.00 0.00 N ATOM 897 CA LYS A 121 63.601 6.698 -11.995 1.00 0.00 C ATOM 898 C LYS A 121 63.765 7.984 -12.792 1.00 0.00 C ATOM 899 O LYS A 121 64.145 7.964 -13.964 1.00 0.00 O ATOM 900 CB LYS A 121 63.243 5.517 -12.910 1.00 0.00 C ATOM 901 CG LYS A 121 64.022 4.261 -12.486 1.00 0.00 C ATOM 902 CD LYS A 121 63.087 3.232 -11.840 1.00 0.00 C ATOM 903 CE LYS A 121 63.803 1.887 -11.825 1.00 0.00 C ATOM 904 NZ LYS A 121 63.003 0.894 -11.055 1.00 0.00 N ATOM 0 H LYS A 121 62.912 6.667 -10.024 1.00 0.00 H new ATOM 0 HA LYS A 121 64.557 6.488 -11.516 1.00 0.00 H new ATOM 0 HB2 LYS A 121 62.172 5.323 -12.862 1.00 0.00 H new ATOM 0 HB3 LYS A 121 63.476 5.766 -13.945 1.00 0.00 H new ATOM 0 HG2 LYS A 121 64.510 3.820 -13.355 1.00 0.00 H new ATOM 0 HG3 LYS A 121 64.809 4.536 -11.783 1.00 0.00 H new ATOM 0 HD2 LYS A 121 62.828 3.537 -10.826 1.00 0.00 H new ATOM 0 HD3 LYS A 121 62.154 3.161 -12.400 1.00 0.00 H new ATOM 0 HE2 LYS A 121 63.952 1.534 -12.845 1.00 0.00 H new ATOM 0 HE3 LYS A 121 64.791 1.996 -11.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 63.640 0.190 -10.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 62.474 1.382 -10.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 62.336 0.416 -11.693 1.00 0.00 H new ATOM 918 N GLN A 122 63.498 9.108 -12.135 1.00 0.00 N ATOM 919 CA GLN A 122 63.642 10.407 -12.776 1.00 0.00 C ATOM 920 C GLN A 122 63.509 11.526 -11.751 1.00 0.00 C ATOM 921 O GLN A 122 62.400 11.890 -11.359 1.00 0.00 O ATOM 922 CB GLN A 122 62.578 10.578 -13.857 1.00 0.00 C ATOM 923 CG GLN A 122 62.786 11.914 -14.579 1.00 0.00 C ATOM 924 CD GLN A 122 61.796 12.025 -15.738 1.00 0.00 C ATOM 925 OE1 GLN A 122 61.129 11.047 -16.076 1.00 0.00 O ATOM 926 NE2 GLN A 122 61.655 13.159 -16.371 1.00 0.00 N ATOM 0 H GLN A 122 63.183 9.145 -11.166 1.00 0.00 H new ATOM 0 HA GLN A 122 64.632 10.458 -13.230 1.00 0.00 H new ATOM 0 HB2 GLN A 122 62.635 9.755 -14.570 1.00 0.00 H new ATOM 0 HB3 GLN A 122 61.584 10.545 -13.411 1.00 0.00 H new ATOM 0 HG2 GLN A 122 62.643 12.741 -13.884 1.00 0.00 H new ATOM 0 HG3 GLN A 122 63.808 11.983 -14.952 1.00 0.00 H new ATOM 0 HE21 GLN A 122 62.207 13.971 -16.093 1.00 0.00 H new ATOM 0 HE22 GLN A 122 60.993 13.233 -17.144 1.00 0.00 H new ATOM 935 N GLN A 123 64.638 12.074 -11.327 1.00 0.00 N ATOM 936 CA GLN A 123 64.620 13.160 -10.359 1.00 0.00 C ATOM 937 C GLN A 123 64.813 14.491 -11.062 1.00 0.00 C ATOM 938 O GLN A 123 65.556 14.582 -12.031 1.00 0.00 O ATOM 939 CB GLN A 123 65.723 12.957 -9.316 1.00 0.00 C ATOM 940 CG GLN A 123 65.513 11.622 -8.590 1.00 0.00 C ATOM 941 CD GLN A 123 64.128 11.584 -7.957 1.00 0.00 C ATOM 942 OE1 GLN A 123 63.746 12.505 -7.238 1.00 0.00 O ATOM 943 NE2 GLN A 123 63.352 10.559 -8.184 1.00 0.00 N ATOM 0 H GLN A 123 65.568 11.789 -11.634 1.00 0.00 H new ATOM 0 HA GLN A 123 63.653 13.162 -9.856 1.00 0.00 H new ATOM 0 HB2 GLN A 123 66.700 12.969 -9.799 1.00 0.00 H new ATOM 0 HB3 GLN A 123 65.713 13.777 -8.598 1.00 0.00 H new ATOM 0 HG2 GLN A 123 65.623 10.796 -9.292 1.00 0.00 H new ATOM 0 HG3 GLN A 123 66.276 11.492 -7.823 1.00 0.00 H new ATOM 0 HE21 GLN A 123 63.674 9.798 -8.781 1.00 0.00 H new ATOM 0 HE22 GLN A 123 62.423 10.519 -7.764 1.00 0.00 H new ATOM 952 N CYS A 124 64.134 15.526 -10.582 1.00 0.00 N ATOM 953 CA CYS A 124 64.259 16.839 -11.201 1.00 0.00 C ATOM 954 C CYS A 124 65.672 17.391 -11.009 1.00 0.00 C ATOM 955 O CYS A 124 66.341 17.749 -11.979 1.00 0.00 O ATOM 956 CB CYS A 124 63.216 17.807 -10.619 1.00 0.00 C ATOM 957 SG CYS A 124 63.171 17.673 -8.812 1.00 0.00 S ATOM 0 H CYS A 124 63.503 15.484 -9.782 1.00 0.00 H new ATOM 0 HA CYS A 124 64.075 16.736 -12.270 1.00 0.00 H new ATOM 0 HB2 CYS A 124 63.458 18.830 -10.909 1.00 0.00 H new ATOM 0 HB3 CYS A 124 62.232 17.583 -11.032 1.00 0.00 H new ATOM 0 HG CYS A 124 62.286 18.499 -8.338 1.00 0.00 H new ATOM 963 N PHE A 125 66.127 17.449 -9.760 1.00 0.00 N ATOM 964 CA PHE A 125 67.465 17.946 -9.465 1.00 0.00 C ATOM 965 C PHE A 125 68.071 17.198 -8.294 1.00 0.00 C ATOM 966 O PHE A 125 67.391 16.434 -7.605 1.00 0.00 O ATOM 967 CB PHE A 125 67.417 19.420 -9.096 1.00 0.00 C ATOM 968 CG PHE A 125 66.634 20.174 -10.144 1.00 0.00 C ATOM 969 CD1 PHE A 125 65.316 20.568 -9.888 1.00 0.00 C ATOM 970 CD2 PHE A 125 67.229 20.478 -11.375 1.00 0.00 C ATOM 971 CE1 PHE A 125 64.591 21.264 -10.863 1.00 0.00 C ATOM 972 CE2 PHE A 125 66.506 21.174 -12.350 1.00 0.00 C ATOM 973 CZ PHE A 125 65.186 21.567 -12.093 1.00 0.00 C ATOM 0 H PHE A 125 65.592 17.160 -8.942 1.00 0.00 H new ATOM 0 HA PHE A 125 68.070 17.797 -10.359 1.00 0.00 H new ATOM 0 HB2 PHE A 125 66.952 19.546 -8.118 1.00 0.00 H new ATOM 0 HB3 PHE A 125 68.428 19.821 -9.023 1.00 0.00 H new ATOM 0 HD1 PHE A 125 64.858 20.335 -8.938 1.00 0.00 H new ATOM 0 HD2 PHE A 125 68.247 20.175 -11.572 1.00 0.00 H new ATOM 0 HE1 PHE A 125 63.573 21.567 -10.666 1.00 0.00 H new ATOM 0 HE2 PHE A 125 66.965 21.408 -13.299 1.00 0.00 H new ATOM 0 HZ PHE A 125 64.627 22.104 -12.845 1.00 0.00 H new ATOM 983 N SER A 126 69.347 17.453 -8.053 1.00 0.00 N ATOM 984 CA SER A 126 70.032 16.835 -6.941 1.00 0.00 C ATOM 985 C SER A 126 69.998 17.725 -5.694 1.00 0.00 C ATOM 986 O SER A 126 70.672 17.442 -4.706 1.00 0.00 O ATOM 987 CB SER A 126 71.481 16.543 -7.317 1.00 0.00 C ATOM 988 OG SER A 126 72.057 17.701 -7.905 1.00 0.00 O ATOM 0 H SER A 126 69.923 18.082 -8.613 1.00 0.00 H new ATOM 0 HA SER A 126 69.515 15.904 -6.710 1.00 0.00 H new ATOM 0 HB2 SER A 126 72.046 16.251 -6.432 1.00 0.00 H new ATOM 0 HB3 SER A 126 71.526 15.706 -8.014 1.00 0.00 H new ATOM 0 HG SER A 126 72.861 17.448 -8.406 1.00 0.00 H new ATOM 994 N LYS A 127 69.227 18.801 -5.740 1.00 0.00 N ATOM 995 CA LYS A 127 69.141 19.707 -4.597 1.00 0.00 C ATOM 996 C LYS A 127 68.534 19.013 -3.377 1.00 0.00 C ATOM 997 O LYS A 127 68.987 19.213 -2.249 1.00 0.00 O ATOM 998 CB LYS A 127 68.299 20.919 -4.961 1.00 0.00 C ATOM 999 CG LYS A 127 69.058 21.779 -5.972 1.00 0.00 C ATOM 1000 CD LYS A 127 68.290 23.076 -6.214 1.00 0.00 C ATOM 1001 CE LYS A 127 66.984 22.771 -6.952 1.00 0.00 C ATOM 1002 NZ LYS A 127 66.278 24.045 -7.262 1.00 0.00 N ATOM 0 H LYS A 127 68.658 19.069 -6.543 1.00 0.00 H new ATOM 0 HA LYS A 127 70.153 20.021 -4.343 1.00 0.00 H new ATOM 0 HB2 LYS A 127 67.345 20.600 -5.382 1.00 0.00 H new ATOM 0 HB3 LYS A 127 68.075 21.501 -4.067 1.00 0.00 H new ATOM 0 HG2 LYS A 127 70.058 22.000 -5.599 1.00 0.00 H new ATOM 0 HG3 LYS A 127 69.180 21.236 -6.909 1.00 0.00 H new ATOM 0 HD2 LYS A 127 68.077 23.566 -5.264 1.00 0.00 H new ATOM 0 HD3 LYS A 127 68.897 23.766 -6.800 1.00 0.00 H new ATOM 0 HE2 LYS A 127 67.193 22.226 -7.872 1.00 0.00 H new ATOM 0 HE3 LYS A 127 66.349 22.131 -6.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 65.391 23.837 -7.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 66.066 24.549 -6.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 66.884 24.640 -7.862 1.00 0.00 H new ATOM 1016 N ASP A 128 67.502 18.205 -3.609 1.00 0.00 N ATOM 1017 CA ASP A 128 66.832 17.498 -2.523 1.00 0.00 C ATOM 1018 C ASP A 128 67.276 16.038 -2.443 1.00 0.00 C ATOM 1019 O ASP A 128 66.684 15.245 -1.714 1.00 0.00 O ATOM 1020 CB ASP A 128 65.319 17.563 -2.726 1.00 0.00 C ATOM 1021 CG ASP A 128 64.818 18.981 -2.477 1.00 0.00 C ATOM 1022 OD1 ASP A 128 65.568 19.763 -1.915 1.00 0.00 O ATOM 1023 OD2 ASP A 128 63.693 19.266 -2.852 1.00 0.00 O ATOM 0 H ASP A 128 67.114 18.025 -4.535 1.00 0.00 H new ATOM 0 HA ASP A 128 67.105 17.984 -1.586 1.00 0.00 H new ATOM 0 HB2 ASP A 128 65.067 17.252 -3.740 1.00 0.00 H new ATOM 0 HB3 ASP A 128 64.823 16.869 -2.047 1.00 0.00 H new ATOM 1028 N ILE A 129 68.312 15.686 -3.197 1.00 0.00 N ATOM 1029 CA ILE A 129 68.813 14.318 -3.201 1.00 0.00 C ATOM 1030 C ILE A 129 69.818 14.109 -2.070 1.00 0.00 C ATOM 1031 O ILE A 129 69.960 14.977 -1.207 1.00 0.00 O ATOM 1032 CB ILE A 129 69.431 14.015 -4.568 1.00 0.00 C ATOM 1033 CG1 ILE A 129 69.314 12.526 -4.887 1.00 0.00 C ATOM 1034 CG2 ILE A 129 70.899 14.425 -4.590 1.00 0.00 C ATOM 1035 CD1 ILE A 129 68.582 12.346 -6.212 1.00 0.00 C ATOM 0 H ILE A 129 68.818 16.325 -3.810 1.00 0.00 H new ATOM 0 HA ILE A 129 67.989 13.625 -3.029 1.00 0.00 H new ATOM 0 HB ILE A 129 68.888 14.586 -5.321 1.00 0.00 H new ATOM 0 HG12 ILE A 129 70.305 12.076 -4.943 1.00 0.00 H new ATOM 0 HG13 ILE A 129 68.776 12.014 -4.090 1.00 0.00 H new ATOM 0 HG21 ILE A 129 71.324 14.203 -5.569 1.00 0.00 H new ATOM 0 HG22 ILE A 129 70.981 15.494 -4.393 1.00 0.00 H new ATOM 0 HG23 ILE A 129 71.443 13.872 -3.824 1.00 0.00 H new ATOM 0 HD11 ILE A 129 68.498 11.283 -6.440 1.00 0.00 H new ATOM 0 HD12 ILE A 129 67.585 12.781 -6.139 1.00 0.00 H new ATOM 0 HD13 ILE A 129 69.138 12.845 -7.006 1.00 0.00 H new ATOM 1047 N VAL A 130 70.477 12.942 -2.061 1.00 0.00 N ATOM 1048 CA VAL A 130 71.440 12.601 -1.027 1.00 0.00 C ATOM 1049 C VAL A 130 72.276 13.804 -0.647 1.00 0.00 C ATOM 1050 O VAL A 130 73.159 14.204 -1.396 1.00 0.00 O ATOM 1051 CB VAL A 130 72.343 11.470 -1.516 1.00 0.00 C ATOM 1052 CG1 VAL A 130 71.603 10.142 -1.373 1.00 0.00 C ATOM 1053 CG2 VAL A 130 72.713 11.682 -2.990 1.00 0.00 C ATOM 0 H VAL A 130 70.353 12.218 -2.769 1.00 0.00 H new ATOM 0 HA VAL A 130 70.895 12.273 -0.142 1.00 0.00 H new ATOM 0 HB VAL A 130 73.255 11.460 -0.919 1.00 0.00 H new ATOM 0 HG11 VAL A 130 72.242 9.330 -1.720 1.00 0.00 H new ATOM 0 HG12 VAL A 130 71.346 9.979 -0.326 1.00 0.00 H new ATOM 0 HG13 VAL A 130 70.692 10.167 -1.970 1.00 0.00 H new ATOM 0 HG21 VAL A 130 73.357 10.868 -3.324 1.00 0.00 H new ATOM 0 HG22 VAL A 130 71.806 11.699 -3.594 1.00 0.00 H new ATOM 0 HG23 VAL A 130 73.240 12.630 -3.100 1.00 0.00 H new ATOM 1063 N GLU A 131 71.953 14.361 0.524 1.00 0.00 N ATOM 1064 CA GLU A 131 72.622 15.541 1.071 1.00 0.00 C ATOM 1065 C GLU A 131 71.784 16.168 2.165 1.00 0.00 C ATOM 1066 O GLU A 131 72.301 16.893 3.019 1.00 0.00 O ATOM 1067 CB GLU A 131 72.782 16.605 0.005 1.00 0.00 C ATOM 1068 CG GLU A 131 74.222 16.615 -0.497 1.00 0.00 C ATOM 1069 CD GLU A 131 74.289 17.246 -1.883 1.00 0.00 C ATOM 1070 OE1 GLU A 131 73.465 18.102 -2.161 1.00 0.00 O ATOM 1071 OE2 GLU A 131 75.160 16.863 -2.645 1.00 0.00 O ATOM 0 H GLU A 131 71.211 14.000 1.124 1.00 0.00 H new ATOM 0 HA GLU A 131 73.589 15.210 1.450 1.00 0.00 H new ATOM 0 HB2 GLU A 131 72.099 16.411 -0.822 1.00 0.00 H new ATOM 0 HB3 GLU A 131 72.521 17.582 0.411 1.00 0.00 H new ATOM 0 HG2 GLU A 131 74.853 17.172 0.196 1.00 0.00 H new ATOM 0 HG3 GLU A 131 74.610 15.597 -0.533 1.00 0.00 H new ATOM 1078 N ASN A 132 70.478 15.935 2.104 1.00 0.00 N ATOM 1079 CA ASN A 132 69.585 16.539 3.067 1.00 0.00 C ATOM 1080 C ASN A 132 69.119 15.528 4.103 1.00 0.00 C ATOM 1081 O ASN A 132 67.919 15.306 4.271 1.00 0.00 O ATOM 1082 CB ASN A 132 68.379 17.146 2.349 1.00 0.00 C ATOM 1083 CG ASN A 132 68.821 18.357 1.531 1.00 0.00 C ATOM 1084 OD1 ASN A 132 69.108 19.414 2.093 1.00 0.00 O ATOM 1085 ND2 ASN A 132 68.893 18.266 0.233 1.00 0.00 N ATOM 0 H ASN A 132 70.026 15.342 1.408 1.00 0.00 H new ATOM 0 HA ASN A 132 70.132 17.325 3.588 1.00 0.00 H new ATOM 0 HB2 ASN A 132 67.920 16.403 1.697 1.00 0.00 H new ATOM 0 HB3 ASN A 132 67.623 17.443 3.076 1.00 0.00 H new ATOM 0 HD21 ASN A 132 69.188 19.071 -0.319 1.00 0.00 H new ATOM 0 HD22 ASN A 132 68.655 17.389 -0.231 1.00 0.00 H new ATOM 1092 N TYR A 133 70.068 14.917 4.799 1.00 0.00 N ATOM 1093 CA TYR A 133 69.739 13.935 5.808 1.00 0.00 C ATOM 1094 C TYR A 133 68.722 14.507 6.792 1.00 0.00 C ATOM 1095 O TYR A 133 68.784 15.684 7.152 1.00 0.00 O ATOM 1096 CB TYR A 133 71.014 13.532 6.546 1.00 0.00 C ATOM 1097 CG TYR A 133 71.291 14.496 7.671 1.00 0.00 C ATOM 1098 CD1 TYR A 133 70.928 14.151 8.973 1.00 0.00 C ATOM 1099 CD2 TYR A 133 71.905 15.729 7.416 1.00 0.00 C ATOM 1100 CE1 TYR A 133 71.180 15.034 10.029 1.00 0.00 C ATOM 1101 CE2 TYR A 133 72.158 16.615 8.474 1.00 0.00 C ATOM 1102 CZ TYR A 133 71.795 16.267 9.780 1.00 0.00 C ATOM 1103 OH TYR A 133 72.044 17.137 10.821 1.00 0.00 O ATOM 0 H TYR A 133 71.067 15.087 4.680 1.00 0.00 H new ATOM 0 HA TYR A 133 69.300 13.059 5.331 1.00 0.00 H new ATOM 0 HB2 TYR A 133 70.910 12.521 6.941 1.00 0.00 H new ATOM 0 HB3 TYR A 133 71.855 13.519 5.853 1.00 0.00 H new ATOM 0 HD1 TYR A 133 70.452 13.201 9.166 1.00 0.00 H new ATOM 0 HD2 TYR A 133 72.183 15.997 6.407 1.00 0.00 H new ATOM 0 HE1 TYR A 133 70.900 14.764 11.037 1.00 0.00 H new ATOM 0 HE2 TYR A 133 72.633 17.566 8.281 1.00 0.00 H new ATOM 0 HH TYR A 133 72.476 17.946 10.475 1.00 0.00 H new ATOM 1113 N PHE A 134 67.778 13.675 7.217 1.00 0.00 N ATOM 1114 CA PHE A 134 66.755 14.118 8.150 1.00 0.00 C ATOM 1115 C PHE A 134 67.073 13.628 9.558 1.00 0.00 C ATOM 1116 O PHE A 134 67.510 14.402 10.411 1.00 0.00 O ATOM 1117 CB PHE A 134 65.385 13.596 7.711 1.00 0.00 C ATOM 1118 CG PHE A 134 64.328 14.088 8.663 1.00 0.00 C ATOM 1119 CD1 PHE A 134 63.766 15.347 8.470 1.00 0.00 C ATOM 1120 CD2 PHE A 134 63.913 13.291 9.734 1.00 0.00 C ATOM 1121 CE1 PHE A 134 62.781 15.820 9.347 1.00 0.00 C ATOM 1122 CE2 PHE A 134 62.928 13.758 10.614 1.00 0.00 C ATOM 1123 CZ PHE A 134 62.363 15.024 10.420 1.00 0.00 C ATOM 0 H PHE A 134 67.702 12.699 6.932 1.00 0.00 H new ATOM 0 HA PHE A 134 66.736 15.208 8.156 1.00 0.00 H new ATOM 0 HB2 PHE A 134 65.163 13.934 6.699 1.00 0.00 H new ATOM 0 HB3 PHE A 134 65.390 12.506 7.689 1.00 0.00 H new ATOM 0 HD1 PHE A 134 64.090 15.961 7.642 1.00 0.00 H new ATOM 0 HD2 PHE A 134 64.352 12.315 9.883 1.00 0.00 H new ATOM 0 HE1 PHE A 134 62.345 16.796 9.196 1.00 0.00 H new ATOM 0 HE2 PHE A 134 62.605 13.142 11.441 1.00 0.00 H new ATOM 0 HZ PHE A 134 61.605 15.387 11.098 1.00 0.00 H new ATOM 1133 N MET A 135 66.852 12.339 9.794 1.00 0.00 N ATOM 1134 CA MET A 135 67.118 11.752 11.099 1.00 0.00 C ATOM 1135 C MET A 135 67.475 10.275 10.964 1.00 0.00 C ATOM 1136 O MET A 135 66.932 9.573 10.110 1.00 0.00 O ATOM 1137 CB MET A 135 65.890 11.899 11.991 1.00 0.00 C ATOM 1138 CG MET A 135 66.255 11.494 13.420 1.00 0.00 C ATOM 1139 SD MET A 135 64.839 11.761 14.513 1.00 0.00 S ATOM 1140 CE MET A 135 65.631 11.200 16.042 1.00 0.00 C ATOM 0 H MET A 135 66.491 11.684 9.100 1.00 0.00 H new ATOM 0 HA MET A 135 67.962 12.276 11.547 1.00 0.00 H new ATOM 0 HB2 MET A 135 65.533 12.929 11.972 1.00 0.00 H new ATOM 0 HB3 MET A 135 65.079 11.274 11.619 1.00 0.00 H new ATOM 0 HG2 MET A 135 66.553 10.446 13.446 1.00 0.00 H new ATOM 0 HG3 MET A 135 67.108 12.077 13.766 1.00 0.00 H new ATOM 0 HE1 MET A 135 64.867 10.890 16.755 1.00 0.00 H new ATOM 0 HE2 MET A 135 66.287 10.358 15.824 1.00 0.00 H new ATOM 0 HE3 MET A 135 66.216 12.015 16.469 1.00 0.00 H new ATOM 1150 N ARG A 136 68.385 9.807 11.810 1.00 0.00 N ATOM 1151 CA ARG A 136 68.792 8.409 11.771 1.00 0.00 C ATOM 1152 C ARG A 136 67.814 7.554 12.569 1.00 0.00 C ATOM 1153 O ARG A 136 68.186 6.932 13.564 1.00 0.00 O ATOM 1154 CB ARG A 136 70.203 8.254 12.343 1.00 0.00 C ATOM 1155 CG ARG A 136 71.204 8.937 11.411 1.00 0.00 C ATOM 1156 CD ARG A 136 72.623 8.525 11.799 1.00 0.00 C ATOM 1157 NE ARG A 136 72.943 8.998 13.143 1.00 0.00 N ATOM 1158 CZ ARG A 136 74.094 8.687 13.741 1.00 0.00 C ATOM 1159 NH1 ARG A 136 74.987 7.946 13.135 1.00 0.00 N ATOM 1160 NH2 ARG A 136 74.332 9.129 14.944 1.00 0.00 N ATOM 0 H ARG A 136 68.850 10.368 12.524 1.00 0.00 H new ATOM 0 HA ARG A 136 68.791 8.075 10.734 1.00 0.00 H new ATOM 0 HB2 ARG A 136 70.255 8.696 13.338 1.00 0.00 H new ATOM 0 HB3 ARG A 136 70.450 7.198 12.450 1.00 0.00 H new ATOM 0 HG2 ARG A 136 71.003 8.658 10.377 1.00 0.00 H new ATOM 0 HG3 ARG A 136 71.098 10.020 11.476 1.00 0.00 H new ATOM 0 HD2 ARG A 136 72.717 7.440 11.757 1.00 0.00 H new ATOM 0 HD3 ARG A 136 73.336 8.935 11.083 1.00 0.00 H new ATOM 0 HE ARG A 136 72.268 9.582 13.638 1.00 0.00 H new ATOM 0 HH11 ARG A 136 74.807 7.598 12.193 1.00 0.00 H new ATOM 0 HH12 ARG A 136 75.863 7.716 13.605 1.00 0.00 H new ATOM 0 HH21 ARG A 136 73.641 9.708 15.421 1.00 0.00 H new ATOM 0 HH22 ARG A 136 75.210 8.896 15.409 1.00 0.00 H new ATOM 1174 N ASP A 137 66.561 7.528 12.124 1.00 0.00 N ATOM 1175 CA ASP A 137 65.539 6.745 12.805 1.00 0.00 C ATOM 1176 C ASP A 137 65.910 5.268 12.786 1.00 0.00 C ATOM 1177 O ASP A 137 66.411 4.762 11.784 1.00 0.00 O ATOM 1178 CB ASP A 137 64.188 6.947 12.126 1.00 0.00 C ATOM 1179 CG ASP A 137 63.664 8.348 12.423 1.00 0.00 C ATOM 1180 OD1 ASP A 137 64.211 8.988 13.305 1.00 0.00 O ATOM 1181 OD2 ASP A 137 62.726 8.761 11.761 1.00 0.00 O ATOM 0 H ASP A 137 66.232 8.036 11.302 1.00 0.00 H new ATOM 0 HA ASP A 137 65.472 7.080 13.840 1.00 0.00 H new ATOM 0 HB2 ASP A 137 64.287 6.807 11.050 1.00 0.00 H new ATOM 0 HB3 ASP A 137 63.477 6.200 12.481 1.00 0.00 H new ATOM 1186 N SER A 138 65.667 4.590 13.903 1.00 0.00 N ATOM 1187 CA SER A 138 65.989 3.174 14.014 1.00 0.00 C ATOM 1188 C SER A 138 65.686 2.659 15.420 1.00 0.00 C ATOM 1189 O SER A 138 65.410 1.474 15.612 1.00 0.00 O ATOM 1190 CB SER A 138 67.465 2.966 13.700 1.00 0.00 C ATOM 1191 OG SER A 138 68.222 3.969 14.360 1.00 0.00 O ATOM 0 H SER A 138 65.250 4.997 14.740 1.00 0.00 H new ATOM 0 HA SER A 138 65.377 2.619 13.303 1.00 0.00 H new ATOM 0 HB2 SER A 138 67.784 1.977 14.027 1.00 0.00 H new ATOM 0 HB3 SER A 138 67.632 3.015 12.624 1.00 0.00 H new ATOM 0 HG SER A 138 68.114 3.876 15.330 1.00 0.00 H new ATOM 1197 N GLY A 139 65.738 3.559 16.397 1.00 0.00 N ATOM 1198 CA GLY A 139 65.465 3.193 17.784 1.00 0.00 C ATOM 1199 C GLY A 139 66.632 3.581 18.686 1.00 0.00 C ATOM 1200 O GLY A 139 66.443 4.224 19.719 1.00 0.00 O ATOM 0 H GLY A 139 65.966 4.543 16.256 1.00 0.00 H new ATOM 0 HA2 GLY A 139 64.556 3.690 18.124 1.00 0.00 H new ATOM 0 HA3 GLY A 139 65.287 2.120 17.853 1.00 0.00 H new ATOM 1204 N SER A 140 67.839 3.194 18.286 1.00 0.00 N ATOM 1205 CA SER A 140 69.029 3.518 19.065 1.00 0.00 C ATOM 1206 C SER A 140 69.228 5.024 19.120 1.00 0.00 C ATOM 1207 O SER A 140 69.604 5.580 20.152 1.00 0.00 O ATOM 1208 CB SER A 140 70.260 2.857 18.448 1.00 0.00 C ATOM 1209 OG SER A 140 70.148 1.445 18.571 1.00 0.00 O ATOM 0 H SER A 140 68.019 2.661 17.435 1.00 0.00 H new ATOM 0 HA SER A 140 68.893 3.141 20.078 1.00 0.00 H new ATOM 0 HB2 SER A 140 70.349 3.136 17.398 1.00 0.00 H new ATOM 0 HB3 SER A 140 71.163 3.206 18.948 1.00 0.00 H new ATOM 0 HG SER A 140 70.936 1.019 18.174 1.00 0.00 H new ATOM 1215 N LYS A 141 68.976 5.669 17.993 1.00 0.00 N ATOM 1216 CA LYS A 141 69.126 7.116 17.893 1.00 0.00 C ATOM 1217 C LYS A 141 67.768 7.806 17.974 1.00 0.00 C ATOM 1218 O LYS A 141 66.855 7.494 17.210 1.00 0.00 O ATOM 1219 CB LYS A 141 69.805 7.477 16.568 1.00 0.00 C ATOM 1220 CG LYS A 141 71.294 7.739 16.810 1.00 0.00 C ATOM 1221 CD LYS A 141 71.986 6.437 17.213 1.00 0.00 C ATOM 1222 CE LYS A 141 73.483 6.693 17.398 1.00 0.00 C ATOM 1223 NZ LYS A 141 74.162 5.422 17.779 1.00 0.00 N ATOM 0 H LYS A 141 68.667 5.216 17.133 1.00 0.00 H new ATOM 0 HA LYS A 141 69.742 7.457 18.725 1.00 0.00 H new ATOM 0 HB2 LYS A 141 69.680 6.666 15.851 1.00 0.00 H new ATOM 0 HB3 LYS A 141 69.335 8.360 16.136 1.00 0.00 H new ATOM 0 HG2 LYS A 141 71.754 8.143 15.908 1.00 0.00 H new ATOM 0 HG3 LYS A 141 71.419 8.487 17.593 1.00 0.00 H new ATOM 0 HD2 LYS A 141 71.554 6.054 18.138 1.00 0.00 H new ATOM 0 HD3 LYS A 141 71.828 5.676 16.448 1.00 0.00 H new ATOM 0 HE2 LYS A 141 73.912 7.085 16.476 1.00 0.00 H new ATOM 0 HE3 LYS A 141 73.641 7.447 18.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 141 75.180 5.596 17.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 141 73.759 5.066 18.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 141 74.022 4.715 17.029 1.00 0.00 H new ATOM 1237 N ALA A 142 67.645 8.750 18.902 1.00 0.00 N ATOM 1238 CA ALA A 142 66.398 9.482 19.075 1.00 0.00 C ATOM 1239 C ALA A 142 66.672 10.878 19.629 1.00 0.00 C ATOM 1240 O ALA A 142 67.650 11.090 20.344 1.00 0.00 O ATOM 1241 CB ALA A 142 65.469 8.725 20.024 1.00 0.00 C ATOM 0 H ALA A 142 68.390 9.024 19.542 1.00 0.00 H new ATOM 0 HA ALA A 142 65.916 9.576 18.102 1.00 0.00 H new ATOM 0 HB1 ALA A 142 64.540 9.282 20.145 1.00 0.00 H new ATOM 0 HB2 ALA A 142 65.250 7.741 19.611 1.00 0.00 H new ATOM 0 HB3 ALA A 142 65.953 8.612 20.994 1.00 0.00 H new ATOM 1247 N ALA A 143 65.801 11.826 19.295 1.00 0.00 N ATOM 1248 CA ALA A 143 65.966 13.196 19.767 1.00 0.00 C ATOM 1249 C ALA A 143 65.836 13.260 21.284 1.00 0.00 C ATOM 1250 O ALA A 143 64.957 12.627 21.868 1.00 0.00 O ATOM 1251 CB ALA A 143 64.913 14.101 19.124 1.00 0.00 C ATOM 0 H ALA A 143 64.983 11.673 18.706 1.00 0.00 H new ATOM 0 HA ALA A 143 66.961 13.539 19.485 1.00 0.00 H new ATOM 0 HB1 ALA A 143 65.043 15.122 19.482 1.00 0.00 H new ATOM 0 HB2 ALA A 143 65.027 14.079 18.040 1.00 0.00 H new ATOM 0 HB3 ALA A 143 63.917 13.747 19.391 1.00 0.00 H new ATOM 1257 N THR A 144 66.714 14.031 21.918 1.00 0.00 N ATOM 1258 CA THR A 144 66.686 14.173 23.368 1.00 0.00 C ATOM 1259 C THR A 144 65.480 14.998 23.806 1.00 0.00 C ATOM 1260 O THR A 144 64.992 14.854 24.927 1.00 0.00 O ATOM 1261 CB THR A 144 67.973 14.843 23.855 1.00 0.00 C ATOM 1262 OG1 THR A 144 68.094 16.125 23.253 1.00 0.00 O ATOM 1263 CG2 THR A 144 69.175 13.980 23.470 1.00 0.00 C ATOM 0 H THR A 144 67.449 14.564 21.453 1.00 0.00 H new ATOM 0 HA THR A 144 66.608 13.179 23.808 1.00 0.00 H new ATOM 0 HB THR A 144 67.940 14.952 24.939 1.00 0.00 H new ATOM 0 HG1 THR A 144 68.917 16.557 23.565 1.00 0.00 H new ATOM 0 HG21 THR A 144 70.092 14.457 23.817 1.00 0.00 H new ATOM 0 HG22 THR A 144 69.080 12.997 23.932 1.00 0.00 H new ATOM 0 HG23 THR A 144 69.211 13.869 22.386 1.00 0.00 H new ATOM 1271 N ASP A 145 65.005 15.865 22.917 1.00 0.00 N ATOM 1272 CA ASP A 145 63.857 16.712 23.226 1.00 0.00 C ATOM 1273 C ASP A 145 62.869 16.726 22.063 1.00 0.00 C ATOM 1274 O ASP A 145 63.318 16.803 20.931 1.00 0.00 O ATOM 1275 CB ASP A 145 64.325 18.139 23.521 1.00 0.00 C ATOM 1276 CG ASP A 145 65.448 18.529 22.566 1.00 0.00 C ATOM 1277 OD1 ASP A 145 65.451 18.032 21.451 1.00 0.00 O ATOM 1278 OD2 ASP A 145 66.290 19.319 22.964 1.00 0.00 O ATOM 1279 OXT ASP A 145 61.679 16.662 22.323 1.00 0.00 O ATOM 0 H ASP A 145 65.393 15.999 21.984 1.00 0.00 H new ATOM 0 HA ASP A 145 63.356 16.305 24.105 1.00 0.00 H new ATOM 0 HB2 ASP A 145 63.491 18.833 23.417 1.00 0.00 H new ATOM 0 HB3 ASP A 145 64.672 18.211 24.552 1.00 0.00 H new TER 1284 ASP A 145 HETATM 1285 ZN ZN A 201 61.939 7.992 -6.023 1.00 0.00 ZN HETATM 1286 ZN ZN A 202 68.474 0.723 1.309 1.00 0.00 ZN