USER MOD reduce.3.24.130724 H: found=0, std=0, add=522, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 515 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 83 CYS SG : rot 104:sc= 0.428 USER MOD Set 1.2: A 85 HIS : no HD1:sc= -4.66! C(o=-6.5!,f=-18!) USER MOD Set 1.3: A 117 CYS SG : rot 163:sc= -0.283 USER MOD Set 1.4: A 120 CYS SG : rot 140:sc= -1.97 USER MOD Set 2.1: A 65 CYS SG : rot -163:sc= -3.5! USER MOD Set 2.2: A 68 CYS SG : rot 150:sc= -0.784 USER MOD Set 2.3: A 88 CYS SG : rot 130:sc= -5.81 USER MOD Set 2.4: A 91 CYS SG : rot -159:sc= -2.03 USER MOD Single : A 64 HIS : no HD1:sc= -0.0203 K(o=-0.02,f=-0.97) USER MOD Single : A 86 SER OG : rot 180:sc= -0.552 USER MOD Single : A 89 SER OG : rot -150:sc= 0.399 USER MOD Single : A 113 THR OG1 : rot 180:sc= -0.703 USER MOD Single : A 121 LYS NZ :NH3+ -152:sc= -1.8 (180deg=-3.78!) USER MOD Single : A 122 GLN : amide:sc= 0 X(o=0,f=-0.0038) USER MOD Single : A 123 GLN : amide:sc= -3.2 K(o=-3.2,f=-6!) USER MOD Single : A 124 CYS SG : rot 180:sc= 0 USER MOD Single : A 126 SER OG : rot 92:sc= -2.35! USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 132 ASN : amide:sc= -2.15 K(o=-2.1,f=-0.86) USER MOD Single : A 133 TYR OH : rot 180:sc= 0 USER MOD Single : A 135 MET CE :methyl -139:sc= 0 (180deg=-1.02) USER MOD Single : A 138 SER OG : rot -76:sc= 0.571 USER MOD ----------------------------------------------------------------- ATOM 15 N ALA A 56 62.996 1.585 14.033 1.00 0.00 N ATOM 16 CA ALA A 56 63.265 2.906 13.494 1.00 0.00 C ATOM 17 C ALA A 56 61.978 3.728 13.417 1.00 0.00 C ATOM 18 O ALA A 56 60.914 3.203 13.090 1.00 0.00 O ATOM 19 CB ALA A 56 63.888 2.780 12.097 1.00 0.00 C ATOM 0 HA ALA A 56 63.963 3.417 14.157 1.00 0.00 H new ATOM 0 HB1 ALA A 56 64.088 3.774 11.697 1.00 0.00 H new ATOM 0 HB2 ALA A 56 64.821 2.221 12.164 1.00 0.00 H new ATOM 0 HB3 ALA A 56 63.198 2.255 11.437 1.00 0.00 H new ATOM 25 N GLU A 57 62.091 5.020 13.716 1.00 0.00 N ATOM 26 CA GLU A 57 60.939 5.923 13.674 1.00 0.00 C ATOM 27 C GLU A 57 60.806 6.562 12.297 1.00 0.00 C ATOM 28 O GLU A 57 60.289 7.671 12.144 1.00 0.00 O ATOM 29 CB GLU A 57 61.084 7.014 14.728 1.00 0.00 C ATOM 30 CG GLU A 57 60.648 6.476 16.095 1.00 0.00 C ATOM 31 CD GLU A 57 61.750 5.618 16.710 1.00 0.00 C ATOM 32 OE1 GLU A 57 62.846 5.620 16.176 1.00 0.00 O ATOM 33 OE2 GLU A 57 61.480 4.971 17.708 1.00 0.00 O ATOM 0 H GLU A 57 62.966 5.466 13.990 1.00 0.00 H new ATOM 0 HA GLU A 57 60.043 5.338 13.881 1.00 0.00 H new ATOM 0 HB2 GLU A 57 62.119 7.353 14.774 1.00 0.00 H new ATOM 0 HB3 GLU A 57 60.477 7.878 14.456 1.00 0.00 H new ATOM 0 HG2 GLU A 57 60.412 7.306 16.760 1.00 0.00 H new ATOM 0 HG3 GLU A 57 59.738 5.886 15.986 1.00 0.00 H new ATOM 40 N ALA A 58 61.266 5.840 11.295 1.00 0.00 N ATOM 41 CA ALA A 58 61.204 6.306 9.924 1.00 0.00 C ATOM 42 C ALA A 58 59.769 6.499 9.469 1.00 0.00 C ATOM 43 O ALA A 58 59.514 7.104 8.435 1.00 0.00 O ATOM 44 CB ALA A 58 61.954 5.352 9.003 1.00 0.00 C ATOM 0 H ALA A 58 61.691 4.919 11.407 1.00 0.00 H new ATOM 0 HA ALA A 58 61.691 7.280 9.875 1.00 0.00 H new ATOM 0 HB1 ALA A 58 61.898 5.717 7.977 1.00 0.00 H new ATOM 0 HB2 ALA A 58 62.998 5.295 9.311 1.00 0.00 H new ATOM 0 HB3 ALA A 58 61.504 4.361 9.061 1.00 0.00 H new ATOM 50 N LEU A 59 58.839 5.997 10.258 1.00 0.00 N ATOM 51 CA LEU A 59 57.424 6.121 9.952 1.00 0.00 C ATOM 52 C LEU A 59 57.060 7.556 9.591 1.00 0.00 C ATOM 53 O LEU A 59 56.064 7.797 8.908 1.00 0.00 O ATOM 54 CB LEU A 59 56.630 5.709 11.177 1.00 0.00 C ATOM 55 CG LEU A 59 56.689 4.195 11.320 1.00 0.00 C ATOM 56 CD1 LEU A 59 56.319 3.815 12.748 1.00 0.00 C ATOM 57 CD2 LEU A 59 55.683 3.548 10.366 1.00 0.00 C ATOM 0 H LEU A 59 59.039 5.495 11.123 1.00 0.00 H new ATOM 0 HA LEU A 59 57.193 5.483 9.099 1.00 0.00 H new ATOM 0 HB2 LEU A 59 57.037 6.187 12.068 1.00 0.00 H new ATOM 0 HB3 LEU A 59 55.595 6.038 11.083 1.00 0.00 H new ATOM 0 HG LEU A 59 57.696 3.849 11.084 1.00 0.00 H new ATOM 0 HD11 LEU A 59 56.359 2.731 12.858 1.00 0.00 H new ATOM 0 HD12 LEU A 59 57.022 4.276 13.441 1.00 0.00 H new ATOM 0 HD13 LEU A 59 55.310 4.165 12.968 1.00 0.00 H new ATOM 0 HD21 LEU A 59 55.728 2.464 10.471 1.00 0.00 H new ATOM 0 HD22 LEU A 59 54.678 3.895 10.607 1.00 0.00 H new ATOM 0 HD23 LEU A 59 55.926 3.824 9.340 1.00 0.00 H new ATOM 69 N GLU A 60 57.863 8.504 10.053 1.00 0.00 N ATOM 70 CA GLU A 60 57.599 9.903 9.765 1.00 0.00 C ATOM 71 C GLU A 60 57.583 10.146 8.266 1.00 0.00 C ATOM 72 O GLU A 60 56.720 10.854 7.747 1.00 0.00 O ATOM 73 CB GLU A 60 58.685 10.772 10.401 1.00 0.00 C ATOM 74 CG GLU A 60 58.528 10.754 11.921 1.00 0.00 C ATOM 75 CD GLU A 60 59.654 11.551 12.572 1.00 0.00 C ATOM 76 OE1 GLU A 60 60.791 11.119 12.476 1.00 0.00 O ATOM 77 OE2 GLU A 60 59.363 12.582 13.156 1.00 0.00 O ATOM 0 H GLU A 60 58.692 8.332 10.622 1.00 0.00 H new ATOM 0 HA GLU A 60 56.624 10.163 10.178 1.00 0.00 H new ATOM 0 HB2 GLU A 60 59.672 10.401 10.122 1.00 0.00 H new ATOM 0 HB3 GLU A 60 58.612 11.794 10.029 1.00 0.00 H new ATOM 0 HG2 GLU A 60 57.563 11.178 12.200 1.00 0.00 H new ATOM 0 HG3 GLU A 60 58.542 9.726 12.284 1.00 0.00 H new ATOM 84 N LEU A 61 58.542 9.555 7.581 1.00 0.00 N ATOM 85 CA LEU A 61 58.634 9.712 6.133 1.00 0.00 C ATOM 86 C LEU A 61 58.159 8.462 5.389 1.00 0.00 C ATOM 87 O LEU A 61 57.470 8.566 4.378 1.00 0.00 O ATOM 88 CB LEU A 61 60.077 10.009 5.752 1.00 0.00 C ATOM 89 CG LEU A 61 60.577 11.231 6.522 1.00 0.00 C ATOM 90 CD1 LEU A 61 62.022 11.521 6.132 1.00 0.00 C ATOM 91 CD2 LEU A 61 59.703 12.452 6.206 1.00 0.00 C ATOM 0 H LEU A 61 59.265 8.966 7.994 1.00 0.00 H new ATOM 0 HA LEU A 61 57.983 10.537 5.844 1.00 0.00 H new ATOM 0 HB2 LEU A 61 60.706 9.147 5.973 1.00 0.00 H new ATOM 0 HB3 LEU A 61 60.149 10.189 4.679 1.00 0.00 H new ATOM 0 HG LEU A 61 60.520 11.025 7.591 1.00 0.00 H new ATOM 0 HD11 LEU A 61 62.379 12.392 6.681 1.00 0.00 H new ATOM 0 HD12 LEU A 61 62.644 10.659 6.374 1.00 0.00 H new ATOM 0 HD13 LEU A 61 62.077 11.719 5.062 1.00 0.00 H new ATOM 0 HD21 LEU A 61 60.070 13.315 6.761 1.00 0.00 H new ATOM 0 HD22 LEU A 61 59.745 12.663 5.137 1.00 0.00 H new ATOM 0 HD23 LEU A 61 58.672 12.246 6.495 1.00 0.00 H new ATOM 103 N LEU A 62 58.531 7.288 5.903 1.00 0.00 N ATOM 104 CA LEU A 62 58.156 6.017 5.305 1.00 0.00 C ATOM 105 C LEU A 62 58.413 4.896 6.308 1.00 0.00 C ATOM 106 O LEU A 62 57.522 4.541 7.072 1.00 0.00 O ATOM 107 CB LEU A 62 58.950 5.789 4.011 1.00 0.00 C ATOM 108 CG LEU A 62 58.048 6.062 2.812 1.00 0.00 C ATOM 109 CD1 LEU A 62 58.872 6.673 1.678 1.00 0.00 C ATOM 110 CD2 LEU A 62 57.423 4.751 2.335 1.00 0.00 C ATOM 0 H LEU A 62 59.100 7.198 6.745 1.00 0.00 H new ATOM 0 HA LEU A 62 57.096 6.027 5.051 1.00 0.00 H new ATOM 0 HB2 LEU A 62 59.819 6.446 3.984 1.00 0.00 H new ATOM 0 HB3 LEU A 62 59.323 4.765 3.975 1.00 0.00 H new ATOM 0 HG LEU A 62 57.261 6.757 3.104 1.00 0.00 H new ATOM 0 HD11 LEU A 62 58.225 6.867 0.822 1.00 0.00 H new ATOM 0 HD12 LEU A 62 59.318 7.609 2.016 1.00 0.00 H new ATOM 0 HD13 LEU A 62 59.661 5.979 1.387 1.00 0.00 H new ATOM 0 HD21 LEU A 62 56.778 4.946 1.478 1.00 0.00 H new ATOM 0 HD22 LEU A 62 58.211 4.056 2.045 1.00 0.00 H new ATOM 0 HD23 LEU A 62 56.833 4.315 3.141 1.00 0.00 H new ATOM 122 N GLU A 63 59.641 4.371 6.299 1.00 0.00 N ATOM 123 CA GLU A 63 60.070 3.305 7.200 1.00 0.00 C ATOM 124 C GLU A 63 61.379 2.682 6.717 1.00 0.00 C ATOM 125 O GLU A 63 62.447 2.970 7.255 1.00 0.00 O ATOM 126 CB GLU A 63 59.008 2.228 7.295 1.00 0.00 C ATOM 127 CG GLU A 63 58.342 2.290 8.666 1.00 0.00 C ATOM 128 CD GLU A 63 57.953 0.884 9.115 1.00 0.00 C ATOM 129 OE1 GLU A 63 58.846 0.064 9.258 1.00 0.00 O ATOM 130 OE2 GLU A 63 56.772 0.646 9.306 1.00 0.00 O ATOM 0 H GLU A 63 60.372 4.680 5.658 1.00 0.00 H new ATOM 0 HA GLU A 63 60.226 3.745 8.185 1.00 0.00 H new ATOM 0 HB2 GLU A 63 58.264 2.366 6.511 1.00 0.00 H new ATOM 0 HB3 GLU A 63 59.456 1.246 7.140 1.00 0.00 H new ATOM 0 HG2 GLU A 63 59.022 2.738 9.391 1.00 0.00 H new ATOM 0 HG3 GLU A 63 57.458 2.926 8.623 1.00 0.00 H new ATOM 137 N HIS A 64 61.285 1.820 5.709 1.00 0.00 N ATOM 138 CA HIS A 64 62.459 1.153 5.171 1.00 0.00 C ATOM 139 C HIS A 64 62.815 1.707 3.802 1.00 0.00 C ATOM 140 O HIS A 64 62.029 2.414 3.171 1.00 0.00 O ATOM 141 CB HIS A 64 62.201 -0.349 5.066 1.00 0.00 C ATOM 142 CG HIS A 64 60.912 -0.586 4.352 1.00 0.00 C ATOM 143 ND1 HIS A 64 59.717 -0.673 5.038 1.00 0.00 N ATOM 144 CD2 HIS A 64 60.604 -0.768 3.029 1.00 0.00 C ATOM 145 CE1 HIS A 64 58.753 -0.901 4.142 1.00 0.00 C ATOM 146 NE2 HIS A 64 59.233 -0.967 2.897 1.00 0.00 N ATOM 0 H HIS A 64 60.409 1.569 5.251 1.00 0.00 H new ATOM 0 HA HIS A 64 63.295 1.333 5.847 1.00 0.00 H new ATOM 0 HB2 HIS A 64 63.019 -0.832 4.532 1.00 0.00 H new ATOM 0 HB3 HIS A 64 62.164 -0.793 6.061 1.00 0.00 H new ATOM 0 HD2 HIS A 64 61.315 -0.758 2.216 1.00 0.00 H new ATOM 0 HE1 HIS A 64 57.709 -1.018 4.394 1.00 0.00 H new ATOM 0 HE2 HIS A 64 58.709 -1.128 2.037 1.00 0.00 H new ATOM 154 N CYS A 65 64.015 1.377 3.365 1.00 0.00 N ATOM 155 CA CYS A 65 64.517 1.830 2.079 1.00 0.00 C ATOM 156 C CYS A 65 63.988 0.973 0.939 1.00 0.00 C ATOM 157 O CYS A 65 63.937 -0.238 1.045 1.00 0.00 O ATOM 158 CB CYS A 65 66.030 1.776 2.102 1.00 0.00 C ATOM 159 SG CYS A 65 66.669 2.030 0.432 1.00 0.00 S ATOM 0 H CYS A 65 64.667 0.791 3.886 1.00 0.00 H new ATOM 0 HA CYS A 65 64.174 2.851 1.910 1.00 0.00 H new ATOM 0 HB2 CYS A 65 66.421 2.541 2.773 1.00 0.00 H new ATOM 0 HB3 CYS A 65 66.364 0.813 2.488 1.00 0.00 H new ATOM 0 HG CYS A 65 67.907 1.637 0.376 1.00 0.00 H new ATOM 164 N GLY A 66 63.592 1.624 -0.144 1.00 0.00 N ATOM 165 CA GLY A 66 63.061 0.925 -1.312 1.00 0.00 C ATOM 166 C GLY A 66 64.111 0.046 -2.003 1.00 0.00 C ATOM 167 O GLY A 66 63.795 -1.025 -2.522 1.00 0.00 O ATOM 0 H GLY A 66 63.627 2.639 -0.242 1.00 0.00 H new ATOM 0 HA2 GLY A 66 62.218 0.305 -1.007 1.00 0.00 H new ATOM 0 HA3 GLY A 66 62.678 1.656 -2.025 1.00 0.00 H new ATOM 171 N VAL A 67 65.346 0.534 -2.058 1.00 0.00 N ATOM 172 CA VAL A 67 66.429 -0.172 -2.743 1.00 0.00 C ATOM 173 C VAL A 67 66.706 -1.564 -2.163 1.00 0.00 C ATOM 174 O VAL A 67 66.969 -2.505 -2.913 1.00 0.00 O ATOM 175 CB VAL A 67 67.706 0.661 -2.652 1.00 0.00 C ATOM 176 CG1 VAL A 67 68.880 -0.141 -3.212 1.00 0.00 C ATOM 177 CG2 VAL A 67 67.536 1.959 -3.448 1.00 0.00 C ATOM 0 H VAL A 67 65.625 1.419 -1.635 1.00 0.00 H new ATOM 0 HA VAL A 67 66.113 -0.309 -3.777 1.00 0.00 H new ATOM 0 HB VAL A 67 67.903 0.907 -1.609 1.00 0.00 H new ATOM 0 HG11 VAL A 67 69.791 0.454 -3.147 1.00 0.00 H new ATOM 0 HG12 VAL A 67 69.003 -1.057 -2.635 1.00 0.00 H new ATOM 0 HG13 VAL A 67 68.685 -0.392 -4.254 1.00 0.00 H new ATOM 0 HG21 VAL A 67 68.449 2.550 -3.380 1.00 0.00 H new ATOM 0 HG22 VAL A 67 67.334 1.721 -4.493 1.00 0.00 H new ATOM 0 HG23 VAL A 67 66.703 2.530 -3.039 1.00 0.00 H new ATOM 187 N CYS A 68 66.676 -1.691 -0.843 1.00 0.00 N ATOM 188 CA CYS A 68 66.956 -2.974 -0.201 1.00 0.00 C ATOM 189 C CYS A 68 65.710 -3.534 0.472 1.00 0.00 C ATOM 190 O CYS A 68 65.626 -4.729 0.754 1.00 0.00 O ATOM 191 CB CYS A 68 68.070 -2.796 0.834 1.00 0.00 C ATOM 192 SG CYS A 68 67.666 -1.407 1.928 1.00 0.00 S ATOM 0 H CYS A 68 66.463 -0.930 -0.198 1.00 0.00 H new ATOM 0 HA CYS A 68 67.274 -3.681 -0.967 1.00 0.00 H new ATOM 0 HB2 CYS A 68 68.188 -3.709 1.417 1.00 0.00 H new ATOM 0 HB3 CYS A 68 69.020 -2.613 0.333 1.00 0.00 H new ATOM 0 HG CYS A 68 68.180 -1.616 3.103 1.00 0.00 H new ATOM 197 N ARG A 69 64.743 -2.662 0.709 1.00 0.00 N ATOM 198 CA ARG A 69 63.494 -3.062 1.333 1.00 0.00 C ATOM 199 C ARG A 69 63.748 -3.572 2.743 1.00 0.00 C ATOM 200 O ARG A 69 63.133 -4.536 3.194 1.00 0.00 O ATOM 201 CB ARG A 69 62.814 -4.137 0.487 1.00 0.00 C ATOM 202 CG ARG A 69 62.879 -3.730 -0.994 1.00 0.00 C ATOM 203 CD ARG A 69 63.866 -4.626 -1.748 1.00 0.00 C ATOM 204 NE ARG A 69 63.379 -4.875 -3.102 1.00 0.00 N ATOM 205 CZ ARG A 69 64.049 -5.645 -3.961 1.00 0.00 C ATOM 206 NH1 ARG A 69 65.178 -6.211 -3.615 1.00 0.00 N ATOM 207 NH2 ARG A 69 63.572 -5.836 -5.160 1.00 0.00 N ATOM 0 H ARG A 69 64.800 -1.670 0.478 1.00 0.00 H new ATOM 0 HA ARG A 69 62.835 -2.196 1.397 1.00 0.00 H new ATOM 0 HB2 ARG A 69 63.306 -5.098 0.634 1.00 0.00 H new ATOM 0 HB3 ARG A 69 61.776 -4.259 0.798 1.00 0.00 H new ATOM 0 HG2 ARG A 69 61.889 -3.809 -1.444 1.00 0.00 H new ATOM 0 HG3 ARG A 69 63.186 -2.687 -1.079 1.00 0.00 H new ATOM 0 HD2 ARG A 69 64.846 -4.150 -1.787 1.00 0.00 H new ATOM 0 HD3 ARG A 69 63.991 -5.570 -1.218 1.00 0.00 H new ATOM 0 HE ARG A 69 62.502 -4.448 -3.399 1.00 0.00 H new ATOM 0 HH11 ARG A 69 65.555 -6.066 -2.679 1.00 0.00 H new ATOM 0 HH12 ARG A 69 65.680 -6.797 -4.282 1.00 0.00 H new ATOM 0 HH21 ARG A 69 62.693 -5.398 -5.435 1.00 0.00 H new ATOM 0 HH22 ARG A 69 64.078 -6.423 -5.823 1.00 0.00 H new ATOM 221 N GLU A 70 64.658 -2.894 3.434 1.00 0.00 N ATOM 222 CA GLU A 70 64.997 -3.254 4.800 1.00 0.00 C ATOM 223 C GLU A 70 64.909 -2.038 5.699 1.00 0.00 C ATOM 224 O GLU A 70 65.176 -0.911 5.279 1.00 0.00 O ATOM 225 CB GLU A 70 66.399 -3.852 4.862 1.00 0.00 C ATOM 226 CG GLU A 70 66.445 -5.106 3.992 1.00 0.00 C ATOM 227 CD GLU A 70 65.450 -6.138 4.512 1.00 0.00 C ATOM 228 OE1 GLU A 70 65.245 -6.182 5.713 1.00 0.00 O ATOM 229 OE2 GLU A 70 64.906 -6.869 3.700 1.00 0.00 O ATOM 0 H GLU A 70 65.172 -2.093 3.068 1.00 0.00 H new ATOM 0 HA GLU A 70 64.284 -4.002 5.148 1.00 0.00 H new ATOM 0 HB2 GLU A 70 67.134 -3.126 4.514 1.00 0.00 H new ATOM 0 HB3 GLU A 70 66.658 -4.099 5.892 1.00 0.00 H new ATOM 0 HG2 GLU A 70 66.210 -4.851 2.959 1.00 0.00 H new ATOM 0 HG3 GLU A 70 67.451 -5.525 3.996 1.00 0.00 H new ATOM 236 N ARG A 71 64.518 -2.282 6.934 1.00 0.00 N ATOM 237 CA ARG A 71 64.370 -1.220 7.907 1.00 0.00 C ATOM 238 C ARG A 71 65.665 -0.439 8.048 1.00 0.00 C ATOM 239 O ARG A 71 66.758 -0.997 7.948 1.00 0.00 O ATOM 240 CB ARG A 71 63.968 -1.826 9.245 1.00 0.00 C ATOM 241 CG ARG A 71 63.304 -0.761 10.119 1.00 0.00 C ATOM 242 CD ARG A 71 61.863 -0.547 9.655 1.00 0.00 C ATOM 243 NE ARG A 71 61.151 0.300 10.606 1.00 0.00 N ATOM 244 CZ ARG A 71 60.642 -0.192 11.740 1.00 0.00 C ATOM 245 NH1 ARG A 71 60.782 -1.458 12.044 1.00 0.00 N ATOM 246 NH2 ARG A 71 59.998 0.597 12.554 1.00 0.00 N ATOM 0 H ARG A 71 64.296 -3.212 7.288 1.00 0.00 H new ATOM 0 HA ARG A 71 63.597 -0.529 7.572 1.00 0.00 H new ATOM 0 HB2 ARG A 71 63.282 -2.658 9.086 1.00 0.00 H new ATOM 0 HB3 ARG A 71 64.846 -2.229 9.750 1.00 0.00 H new ATOM 0 HG2 ARG A 71 63.319 -1.072 11.164 1.00 0.00 H new ATOM 0 HG3 ARG A 71 63.860 0.174 10.057 1.00 0.00 H new ATOM 0 HD2 ARG A 71 61.855 -0.085 8.668 1.00 0.00 H new ATOM 0 HD3 ARG A 71 61.356 -1.508 9.561 1.00 0.00 H new ATOM 0 HE ARG A 71 61.039 1.293 10.400 1.00 0.00 H new ATOM 0 HH11 ARG A 71 61.284 -2.082 11.412 1.00 0.00 H new ATOM 0 HH12 ARG A 71 60.389 -1.820 12.913 1.00 0.00 H new ATOM 0 HH21 ARG A 71 59.885 1.584 12.324 1.00 0.00 H new ATOM 0 HH22 ARG A 71 59.608 0.227 13.421 1.00 0.00 H new ATOM 260 N LEU A 72 65.527 0.860 8.261 1.00 0.00 N ATOM 261 CA LEU A 72 66.680 1.730 8.395 1.00 0.00 C ATOM 262 C LEU A 72 67.391 1.471 9.716 1.00 0.00 C ATOM 263 O LEU A 72 66.913 1.862 10.778 1.00 0.00 O ATOM 264 CB LEU A 72 66.212 3.186 8.306 1.00 0.00 C ATOM 265 CG LEU A 72 65.549 3.417 6.937 1.00 0.00 C ATOM 266 CD1 LEU A 72 64.889 4.806 6.897 1.00 0.00 C ATOM 267 CD2 LEU A 72 66.606 3.302 5.824 1.00 0.00 C ATOM 0 H LEU A 72 64.627 1.333 8.344 1.00 0.00 H new ATOM 0 HA LEU A 72 67.389 1.528 7.592 1.00 0.00 H new ATOM 0 HB2 LEU A 72 65.506 3.404 9.108 1.00 0.00 H new ATOM 0 HB3 LEU A 72 67.058 3.862 8.433 1.00 0.00 H new ATOM 0 HG LEU A 72 64.780 2.660 6.780 1.00 0.00 H new ATOM 0 HD11 LEU A 72 64.423 4.959 5.924 1.00 0.00 H new ATOM 0 HD12 LEU A 72 64.130 4.871 7.677 1.00 0.00 H new ATOM 0 HD13 LEU A 72 65.646 5.573 7.062 1.00 0.00 H new ATOM 0 HD21 LEU A 72 66.134 3.466 4.855 1.00 0.00 H new ATOM 0 HD22 LEU A 72 67.382 4.051 5.981 1.00 0.00 H new ATOM 0 HD23 LEU A 72 67.051 2.307 5.847 1.00 0.00 H new ATOM 279 N ARG A 73 68.543 0.806 9.630 1.00 0.00 N ATOM 280 CA ARG A 73 69.333 0.494 10.814 1.00 0.00 C ATOM 281 C ARG A 73 70.136 1.725 11.232 1.00 0.00 C ATOM 282 O ARG A 73 70.223 2.696 10.483 1.00 0.00 O ATOM 283 CB ARG A 73 70.247 -0.695 10.553 1.00 0.00 C ATOM 284 CG ARG A 73 71.643 -0.212 10.224 1.00 0.00 C ATOM 285 CD ARG A 73 72.432 -1.367 9.637 1.00 0.00 C ATOM 286 NE ARG A 73 72.791 -2.324 10.680 1.00 0.00 N ATOM 287 CZ ARG A 73 73.548 -3.393 10.419 1.00 0.00 C ATOM 288 NH1 ARG A 73 73.999 -3.617 9.211 1.00 0.00 N ATOM 289 NH2 ARG A 73 73.843 -4.224 11.380 1.00 0.00 N ATOM 0 H ARG A 73 68.947 0.475 8.754 1.00 0.00 H new ATOM 0 HA ARG A 73 68.663 0.220 11.629 1.00 0.00 H new ATOM 0 HB2 ARG A 73 70.274 -1.342 11.429 1.00 0.00 H new ATOM 0 HB3 ARG A 73 69.856 -1.291 9.729 1.00 0.00 H new ATOM 0 HG2 ARG A 73 71.599 0.615 9.515 1.00 0.00 H new ATOM 0 HG3 ARG A 73 72.134 0.164 11.122 1.00 0.00 H new ATOM 0 HD2 ARG A 73 71.842 -1.864 8.867 1.00 0.00 H new ATOM 0 HD3 ARG A 73 73.334 -0.991 9.154 1.00 0.00 H new ATOM 0 HE ARG A 73 72.455 -2.172 11.631 1.00 0.00 H new ATOM 0 HH11 ARG A 73 73.773 -2.971 8.454 1.00 0.00 H new ATOM 0 HH12 ARG A 73 74.576 -4.437 9.026 1.00 0.00 H new ATOM 0 HH21 ARG A 73 73.496 -4.056 12.324 1.00 0.00 H new ATOM 0 HH22 ARG A 73 74.421 -5.042 11.187 1.00 0.00 H new ATOM 303 N PRO A 74 70.677 1.729 12.416 1.00 0.00 N ATOM 304 CA PRO A 74 71.438 2.902 12.946 1.00 0.00 C ATOM 305 C PRO A 74 72.551 3.375 12.009 1.00 0.00 C ATOM 306 O PRO A 74 72.730 4.574 11.796 1.00 0.00 O ATOM 307 CB PRO A 74 72.022 2.377 14.259 1.00 0.00 C ATOM 308 CG PRO A 74 71.095 1.289 14.675 1.00 0.00 C ATOM 309 CD PRO A 74 70.633 0.626 13.382 1.00 0.00 C ATOM 0 HA PRO A 74 70.797 3.776 13.062 1.00 0.00 H new ATOM 0 HB2 PRO A 74 73.036 2.002 14.120 1.00 0.00 H new ATOM 0 HB3 PRO A 74 72.074 3.163 15.012 1.00 0.00 H new ATOM 0 HG2 PRO A 74 71.598 0.573 15.325 1.00 0.00 H new ATOM 0 HG3 PRO A 74 70.249 1.688 15.235 1.00 0.00 H new ATOM 0 HD2 PRO A 74 71.290 -0.193 13.090 1.00 0.00 H new ATOM 0 HD3 PRO A 74 69.629 0.211 13.477 1.00 0.00 H new ATOM 317 N GLU A 75 73.293 2.427 11.461 1.00 0.00 N ATOM 318 CA GLU A 75 74.392 2.742 10.554 1.00 0.00 C ATOM 319 C GLU A 75 73.911 2.847 9.103 1.00 0.00 C ATOM 320 O GLU A 75 74.717 3.041 8.193 1.00 0.00 O ATOM 321 CB GLU A 75 75.466 1.659 10.653 1.00 0.00 C ATOM 322 CG GLU A 75 76.105 1.693 12.043 1.00 0.00 C ATOM 323 CD GLU A 75 77.121 0.564 12.175 1.00 0.00 C ATOM 324 OE1 GLU A 75 77.188 -0.255 11.273 1.00 0.00 O ATOM 325 OE2 GLU A 75 77.817 0.534 13.176 1.00 0.00 O ATOM 0 H GLU A 75 73.156 1.430 11.627 1.00 0.00 H new ATOM 0 HA GLU A 75 74.803 3.708 10.848 1.00 0.00 H new ATOM 0 HB2 GLU A 75 75.026 0.679 10.468 1.00 0.00 H new ATOM 0 HB3 GLU A 75 76.227 1.816 9.888 1.00 0.00 H new ATOM 0 HG2 GLU A 75 76.593 2.654 12.205 1.00 0.00 H new ATOM 0 HG3 GLU A 75 75.336 1.593 12.809 1.00 0.00 H new ATOM 332 N ARG A 76 72.606 2.691 8.886 1.00 0.00 N ATOM 333 CA ARG A 76 72.055 2.741 7.536 1.00 0.00 C ATOM 334 C ARG A 76 72.205 4.125 6.940 1.00 0.00 C ATOM 335 O ARG A 76 72.227 4.282 5.719 1.00 0.00 O ATOM 336 CB ARG A 76 70.560 2.423 7.582 1.00 0.00 C ATOM 337 CG ARG A 76 70.115 1.743 6.292 1.00 0.00 C ATOM 338 CD ARG A 76 70.639 0.310 6.278 1.00 0.00 C ATOM 339 NE ARG A 76 70.427 -0.312 4.975 1.00 0.00 N ATOM 340 CZ ARG A 76 71.307 -0.181 3.979 1.00 0.00 C ATOM 341 NH1 ARG A 76 72.390 0.538 4.124 1.00 0.00 N ATOM 342 NH2 ARG A 76 71.080 -0.775 2.841 1.00 0.00 N ATOM 0 H ARG A 76 71.917 2.530 9.621 1.00 0.00 H new ATOM 0 HA ARG A 76 72.596 2.015 6.929 1.00 0.00 H new ATOM 0 HB2 ARG A 76 70.347 1.776 8.433 1.00 0.00 H new ATOM 0 HB3 ARG A 76 69.992 3.341 7.730 1.00 0.00 H new ATOM 0 HG2 ARG A 76 69.027 1.747 6.221 1.00 0.00 H new ATOM 0 HG3 ARG A 76 70.493 2.290 5.428 1.00 0.00 H new ATOM 0 HD2 ARG A 76 71.702 0.305 6.518 1.00 0.00 H new ATOM 0 HD3 ARG A 76 70.135 -0.273 7.049 1.00 0.00 H new ATOM 0 HE ARG A 76 69.582 -0.863 4.821 1.00 0.00 H new ATOM 0 HH11 ARG A 76 72.574 1.010 5.009 1.00 0.00 H new ATOM 0 HH12 ARG A 76 73.051 0.626 3.352 1.00 0.00 H new ATOM 0 HH21 ARG A 76 70.236 -1.334 2.717 1.00 0.00 H new ATOM 0 HH22 ARG A 76 71.746 -0.681 2.075 1.00 0.00 H new ATOM 356 N GLU A 77 72.292 5.123 7.801 1.00 0.00 N ATOM 357 CA GLU A 77 72.416 6.486 7.338 1.00 0.00 C ATOM 358 C GLU A 77 71.341 6.779 6.313 1.00 0.00 C ATOM 359 O GLU A 77 71.619 6.938 5.126 1.00 0.00 O ATOM 360 CB GLU A 77 73.788 6.710 6.716 1.00 0.00 C ATOM 361 CG GLU A 77 74.011 8.207 6.508 1.00 0.00 C ATOM 362 CD GLU A 77 75.414 8.462 5.966 1.00 0.00 C ATOM 363 OE1 GLU A 77 76.157 7.506 5.825 1.00 0.00 O ATOM 364 OE2 GLU A 77 75.726 9.613 5.705 1.00 0.00 O ATOM 0 H GLU A 77 72.279 5.013 8.815 1.00 0.00 H new ATOM 0 HA GLU A 77 72.299 7.157 8.189 1.00 0.00 H new ATOM 0 HB2 GLU A 77 74.564 6.302 7.363 1.00 0.00 H new ATOM 0 HB3 GLU A 77 73.858 6.185 5.764 1.00 0.00 H new ATOM 0 HG2 GLU A 77 73.268 8.599 5.813 1.00 0.00 H new ATOM 0 HG3 GLU A 77 73.876 8.736 7.451 1.00 0.00 H new ATOM 371 N PRO A 78 70.127 6.831 6.754 1.00 0.00 N ATOM 372 CA PRO A 78 68.965 7.089 5.869 1.00 0.00 C ATOM 373 C PRO A 78 68.981 8.520 5.347 1.00 0.00 C ATOM 374 O PRO A 78 69.503 9.423 5.999 1.00 0.00 O ATOM 375 CB PRO A 78 67.761 6.835 6.779 1.00 0.00 C ATOM 376 CG PRO A 78 68.268 7.075 8.162 1.00 0.00 C ATOM 377 CD PRO A 78 69.730 6.656 8.155 1.00 0.00 C ATOM 0 HA PRO A 78 68.957 6.460 4.979 1.00 0.00 H new ATOM 0 HB2 PRO A 78 66.936 7.505 6.539 1.00 0.00 H new ATOM 0 HB3 PRO A 78 67.388 5.817 6.666 1.00 0.00 H new ATOM 0 HG2 PRO A 78 68.165 8.124 8.438 1.00 0.00 H new ATOM 0 HG3 PRO A 78 67.700 6.496 8.891 1.00 0.00 H new ATOM 0 HD2 PRO A 78 70.329 7.276 8.823 1.00 0.00 H new ATOM 0 HD3 PRO A 78 69.854 5.624 8.482 1.00 0.00 H new ATOM 385 N ARG A 79 68.423 8.716 4.162 1.00 0.00 N ATOM 386 CA ARG A 79 68.401 10.043 3.560 1.00 0.00 C ATOM 387 C ARG A 79 67.141 10.234 2.725 1.00 0.00 C ATOM 388 O ARG A 79 66.444 9.270 2.417 1.00 0.00 O ATOM 389 CB ARG A 79 69.639 10.221 2.681 1.00 0.00 C ATOM 390 CG ARG A 79 70.514 11.367 3.210 1.00 0.00 C ATOM 391 CD ARG A 79 71.989 10.979 3.074 1.00 0.00 C ATOM 392 NE ARG A 79 72.847 11.980 3.700 1.00 0.00 N ATOM 393 CZ ARG A 79 74.158 11.776 3.858 1.00 0.00 C ATOM 394 NH1 ARG A 79 74.716 10.663 3.452 1.00 0.00 N ATOM 395 NH2 ARG A 79 74.892 12.694 4.423 1.00 0.00 N ATOM 0 H ARG A 79 67.984 7.984 3.603 1.00 0.00 H new ATOM 0 HA ARG A 79 68.403 10.790 4.353 1.00 0.00 H new ATOM 0 HB2 ARG A 79 70.214 9.295 2.661 1.00 0.00 H new ATOM 0 HB3 ARG A 79 69.337 10.430 1.655 1.00 0.00 H new ATOM 0 HG2 ARG A 79 70.313 12.281 2.652 1.00 0.00 H new ATOM 0 HG3 ARG A 79 70.274 11.572 4.253 1.00 0.00 H new ATOM 0 HD2 ARG A 79 72.158 10.007 3.537 1.00 0.00 H new ATOM 0 HD3 ARG A 79 72.248 10.879 2.020 1.00 0.00 H new ATOM 0 HE ARG A 79 72.436 12.856 4.024 1.00 0.00 H new ATOM 0 HH11 ARG A 79 74.149 9.940 3.009 1.00 0.00 H new ATOM 0 HH12 ARG A 79 75.718 10.519 3.578 1.00 0.00 H new ATOM 0 HH21 ARG A 79 74.465 13.563 4.742 1.00 0.00 H new ATOM 0 HH22 ARG A 79 75.893 12.542 4.546 1.00 0.00 H new ATOM 409 N LEU A 80 66.851 11.484 2.370 1.00 0.00 N ATOM 410 CA LEU A 80 65.661 11.784 1.579 1.00 0.00 C ATOM 411 C LEU A 80 66.037 12.319 0.195 1.00 0.00 C ATOM 412 O LEU A 80 66.842 13.243 0.071 1.00 0.00 O ATOM 413 CB LEU A 80 64.802 12.820 2.303 1.00 0.00 C ATOM 414 CG LEU A 80 63.491 13.024 1.549 1.00 0.00 C ATOM 415 CD1 LEU A 80 62.611 11.798 1.744 1.00 0.00 C ATOM 416 CD2 LEU A 80 62.776 14.265 2.088 1.00 0.00 C ATOM 0 H LEU A 80 67.417 12.297 2.614 1.00 0.00 H new ATOM 0 HA LEU A 80 65.099 10.858 1.454 1.00 0.00 H new ATOM 0 HB2 LEU A 80 64.598 12.489 3.321 1.00 0.00 H new ATOM 0 HB3 LEU A 80 65.341 13.765 2.376 1.00 0.00 H new ATOM 0 HG LEU A 80 63.694 13.164 0.487 1.00 0.00 H new ATOM 0 HD11 LEU A 80 61.672 11.935 1.208 1.00 0.00 H new ATOM 0 HD12 LEU A 80 63.124 10.917 1.358 1.00 0.00 H new ATOM 0 HD13 LEU A 80 62.406 11.662 2.806 1.00 0.00 H new ATOM 0 HD21 LEU A 80 61.840 14.409 1.548 1.00 0.00 H new ATOM 0 HD22 LEU A 80 62.566 14.132 3.149 1.00 0.00 H new ATOM 0 HD23 LEU A 80 63.412 15.140 1.951 1.00 0.00 H new ATOM 428 N LEU A 81 65.435 11.735 -0.837 1.00 0.00 N ATOM 429 CA LEU A 81 65.690 12.153 -2.216 1.00 0.00 C ATOM 430 C LEU A 81 64.718 13.251 -2.651 1.00 0.00 C ATOM 431 O LEU A 81 63.688 13.474 -2.014 1.00 0.00 O ATOM 432 CB LEU A 81 65.541 10.950 -3.149 1.00 0.00 C ATOM 433 CG LEU A 81 66.920 10.466 -3.602 1.00 0.00 C ATOM 434 CD1 LEU A 81 67.754 10.077 -2.379 1.00 0.00 C ATOM 435 CD2 LEU A 81 66.744 9.248 -4.515 1.00 0.00 C ATOM 0 H LEU A 81 64.766 10.970 -0.747 1.00 0.00 H new ATOM 0 HA LEU A 81 66.704 12.549 -2.270 1.00 0.00 H new ATOM 0 HB2 LEU A 81 65.014 10.145 -2.637 1.00 0.00 H new ATOM 0 HB3 LEU A 81 64.940 11.224 -4.016 1.00 0.00 H new ATOM 0 HG LEU A 81 67.432 11.261 -4.144 1.00 0.00 H new ATOM 0 HD11 LEU A 81 68.736 9.732 -2.703 1.00 0.00 H new ATOM 0 HD12 LEU A 81 67.870 10.943 -1.727 1.00 0.00 H new ATOM 0 HD13 LEU A 81 67.251 9.278 -1.834 1.00 0.00 H new ATOM 0 HD21 LEU A 81 67.722 8.895 -4.843 1.00 0.00 H new ATOM 0 HD22 LEU A 81 66.237 8.453 -3.968 1.00 0.00 H new ATOM 0 HD23 LEU A 81 66.148 9.528 -5.384 1.00 0.00 H new ATOM 447 N PRO A 82 65.024 13.925 -3.728 1.00 0.00 N ATOM 448 CA PRO A 82 64.166 15.013 -4.277 1.00 0.00 C ATOM 449 C PRO A 82 62.891 14.475 -4.928 1.00 0.00 C ATOM 450 O PRO A 82 62.014 15.246 -5.319 1.00 0.00 O ATOM 451 CB PRO A 82 65.068 15.710 -5.298 1.00 0.00 C ATOM 452 CG PRO A 82 66.056 14.678 -5.721 1.00 0.00 C ATOM 453 CD PRO A 82 66.230 13.721 -4.548 1.00 0.00 C ATOM 0 HA PRO A 82 63.810 15.687 -3.498 1.00 0.00 H new ATOM 0 HB2 PRO A 82 64.491 16.074 -6.148 1.00 0.00 H new ATOM 0 HB3 PRO A 82 65.566 16.574 -4.858 1.00 0.00 H new ATOM 0 HG2 PRO A 82 65.703 14.145 -6.604 1.00 0.00 H new ATOM 0 HG3 PRO A 82 67.007 15.140 -5.986 1.00 0.00 H new ATOM 0 HD2 PRO A 82 66.311 12.688 -4.886 1.00 0.00 H new ATOM 0 HD3 PRO A 82 67.136 13.943 -3.985 1.00 0.00 H new ATOM 461 N CYS A 83 62.787 13.150 -5.030 1.00 0.00 N ATOM 462 CA CYS A 83 61.609 12.528 -5.618 1.00 0.00 C ATOM 463 C CYS A 83 60.612 12.143 -4.529 1.00 0.00 C ATOM 464 O CYS A 83 59.552 11.589 -4.821 1.00 0.00 O ATOM 465 CB CYS A 83 62.006 11.292 -6.430 1.00 0.00 C ATOM 466 SG CYS A 83 62.915 10.138 -5.376 1.00 0.00 S ATOM 0 H CYS A 83 63.501 12.494 -4.714 1.00 0.00 H new ATOM 0 HA CYS A 83 61.137 13.248 -6.286 1.00 0.00 H new ATOM 0 HB2 CYS A 83 61.116 10.808 -6.833 1.00 0.00 H new ATOM 0 HB3 CYS A 83 62.622 11.586 -7.280 1.00 0.00 H new ATOM 0 HG CYS A 83 62.138 9.150 -5.044 1.00 0.00 H new ATOM 471 N LEU A 84 60.972 12.450 -3.277 1.00 0.00 N ATOM 472 CA LEU A 84 60.131 12.162 -2.123 1.00 0.00 C ATOM 473 C LEU A 84 60.205 10.701 -1.739 1.00 0.00 C ATOM 474 O LEU A 84 59.204 10.076 -1.391 1.00 0.00 O ATOM 475 CB LEU A 84 58.674 12.565 -2.386 1.00 0.00 C ATOM 476 CG LEU A 84 58.068 13.198 -1.132 1.00 0.00 C ATOM 477 CD1 LEU A 84 56.648 13.674 -1.446 1.00 0.00 C ATOM 478 CD2 LEU A 84 58.022 12.156 -0.014 1.00 0.00 C ATOM 0 H LEU A 84 61.854 12.904 -3.042 1.00 0.00 H new ATOM 0 HA LEU A 84 60.510 12.755 -1.291 1.00 0.00 H new ATOM 0 HB2 LEU A 84 58.628 13.269 -3.217 1.00 0.00 H new ATOM 0 HB3 LEU A 84 58.094 11.690 -2.678 1.00 0.00 H new ATOM 0 HG LEU A 84 58.675 14.046 -0.815 1.00 0.00 H new ATOM 0 HD11 LEU A 84 56.211 14.126 -0.556 1.00 0.00 H new ATOM 0 HD12 LEU A 84 56.680 14.411 -2.249 1.00 0.00 H new ATOM 0 HD13 LEU A 84 56.040 12.825 -1.757 1.00 0.00 H new ATOM 0 HD21 LEU A 84 57.591 12.602 0.882 1.00 0.00 H new ATOM 0 HD22 LEU A 84 57.410 11.311 -0.329 1.00 0.00 H new ATOM 0 HD23 LEU A 84 59.033 11.811 0.203 1.00 0.00 H new ATOM 490 N HIS A 85 61.403 10.164 -1.783 1.00 0.00 N ATOM 491 CA HIS A 85 61.605 8.785 -1.410 1.00 0.00 C ATOM 492 C HIS A 85 62.827 8.662 -0.522 1.00 0.00 C ATOM 493 O HIS A 85 63.938 9.010 -0.921 1.00 0.00 O ATOM 494 CB HIS A 85 61.774 7.937 -2.657 1.00 0.00 C ATOM 495 CG HIS A 85 60.534 8.051 -3.503 1.00 0.00 C ATOM 496 ND1 HIS A 85 60.583 8.337 -4.857 1.00 0.00 N ATOM 497 CD2 HIS A 85 59.200 7.929 -3.199 1.00 0.00 C ATOM 498 CE1 HIS A 85 59.320 8.377 -5.314 1.00 0.00 C ATOM 499 NE2 HIS A 85 58.436 8.135 -4.343 1.00 0.00 N ATOM 0 H HIS A 85 62.247 10.659 -2.072 1.00 0.00 H new ATOM 0 HA HIS A 85 60.735 8.432 -0.857 1.00 0.00 H new ATOM 0 HB2 HIS A 85 62.646 8.268 -3.221 1.00 0.00 H new ATOM 0 HB3 HIS A 85 61.948 6.896 -2.383 1.00 0.00 H new ATOM 0 HD2 HIS A 85 58.804 7.707 -2.219 1.00 0.00 H new ATOM 0 HE1 HIS A 85 59.053 8.580 -6.341 1.00 0.00 H new ATOM 0 HE2 HIS A 85 57.420 8.107 -4.423 1.00 0.00 H new ATOM 507 N SER A 86 62.616 8.171 0.682 1.00 0.00 N ATOM 508 CA SER A 86 63.719 8.009 1.617 1.00 0.00 C ATOM 509 C SER A 86 64.394 6.666 1.393 1.00 0.00 C ATOM 510 O SER A 86 63.737 5.663 1.118 1.00 0.00 O ATOM 511 CB SER A 86 63.221 8.072 3.056 1.00 0.00 C ATOM 512 OG SER A 86 62.564 9.312 3.278 1.00 0.00 O ATOM 0 H SER A 86 61.705 7.880 1.036 1.00 0.00 H new ATOM 0 HA SER A 86 64.429 8.819 1.446 1.00 0.00 H new ATOM 0 HB2 SER A 86 62.537 7.246 3.251 1.00 0.00 H new ATOM 0 HB3 SER A 86 64.058 7.963 3.746 1.00 0.00 H new ATOM 0 HG SER A 86 62.243 9.351 4.203 1.00 0.00 H new ATOM 518 N ALA A 87 65.711 6.660 1.509 1.00 0.00 N ATOM 519 CA ALA A 87 66.475 5.432 1.315 1.00 0.00 C ATOM 520 C ALA A 87 67.830 5.519 2.011 1.00 0.00 C ATOM 521 O ALA A 87 68.265 6.593 2.418 1.00 0.00 O ATOM 522 CB ALA A 87 66.671 5.165 -0.183 1.00 0.00 C ATOM 0 H ALA A 87 66.272 7.481 1.734 1.00 0.00 H new ATOM 0 HA ALA A 87 65.915 4.607 1.756 1.00 0.00 H new ATOM 0 HB1 ALA A 87 67.242 4.246 -0.317 1.00 0.00 H new ATOM 0 HB2 ALA A 87 65.699 5.061 -0.664 1.00 0.00 H new ATOM 0 HB3 ALA A 87 67.212 5.998 -0.633 1.00 0.00 H new ATOM 528 N CYS A 88 68.494 4.376 2.134 1.00 0.00 N ATOM 529 CA CYS A 88 69.805 4.331 2.770 1.00 0.00 C ATOM 530 C CYS A 88 70.797 5.102 1.920 1.00 0.00 C ATOM 531 O CYS A 88 70.801 4.958 0.711 1.00 0.00 O ATOM 532 CB CYS A 88 70.292 2.886 2.875 1.00 0.00 C ATOM 533 SG CYS A 88 68.927 1.798 3.344 1.00 0.00 S ATOM 0 H CYS A 88 68.150 3.474 1.805 1.00 0.00 H new ATOM 0 HA CYS A 88 69.726 4.767 3.766 1.00 0.00 H new ATOM 0 HB2 CYS A 88 70.710 2.566 1.921 1.00 0.00 H new ATOM 0 HB3 CYS A 88 71.091 2.817 3.613 1.00 0.00 H new ATOM 0 HG CYS A 88 68.882 0.783 2.533 1.00 0.00 H new ATOM 538 N SER A 89 71.649 5.903 2.541 1.00 0.00 N ATOM 539 CA SER A 89 72.622 6.671 1.784 1.00 0.00 C ATOM 540 C SER A 89 73.476 5.740 0.935 1.00 0.00 C ATOM 541 O SER A 89 73.747 6.028 -0.230 1.00 0.00 O ATOM 542 CB SER A 89 73.516 7.459 2.737 1.00 0.00 C ATOM 543 OG SER A 89 74.468 8.205 1.989 1.00 0.00 O ATOM 0 H SER A 89 71.686 6.037 3.552 1.00 0.00 H new ATOM 0 HA SER A 89 72.092 7.364 1.131 1.00 0.00 H new ATOM 0 HB2 SER A 89 72.912 8.130 3.348 1.00 0.00 H new ATOM 0 HB3 SER A 89 74.026 6.779 3.419 1.00 0.00 H new ATOM 0 HG SER A 89 75.287 8.311 2.516 1.00 0.00 H new ATOM 549 N ALA A 90 73.885 4.614 1.510 1.00 0.00 N ATOM 550 CA ALA A 90 74.686 3.655 0.763 1.00 0.00 C ATOM 551 C ALA A 90 73.890 3.168 -0.443 1.00 0.00 C ATOM 552 O ALA A 90 74.430 3.024 -1.539 1.00 0.00 O ATOM 553 CB ALA A 90 75.059 2.469 1.650 1.00 0.00 C ATOM 0 H ALA A 90 73.679 4.347 2.473 1.00 0.00 H new ATOM 0 HA ALA A 90 75.603 4.139 0.427 1.00 0.00 H new ATOM 0 HB1 ALA A 90 75.658 1.761 1.077 1.00 0.00 H new ATOM 0 HB2 ALA A 90 75.634 2.822 2.506 1.00 0.00 H new ATOM 0 HB3 ALA A 90 74.152 1.977 2.000 1.00 0.00 H new ATOM 559 N CYS A 91 72.594 2.941 -0.234 1.00 0.00 N ATOM 560 CA CYS A 91 71.711 2.503 -1.304 1.00 0.00 C ATOM 561 C CYS A 91 71.557 3.607 -2.345 1.00 0.00 C ATOM 562 O CYS A 91 71.454 3.343 -3.542 1.00 0.00 O ATOM 563 CB CYS A 91 70.347 2.110 -0.737 1.00 0.00 C ATOM 564 SG CYS A 91 70.526 0.565 0.191 1.00 0.00 S ATOM 0 H CYS A 91 72.135 3.055 0.670 1.00 0.00 H new ATOM 0 HA CYS A 91 72.150 1.630 -1.786 1.00 0.00 H new ATOM 0 HB2 CYS A 91 69.966 2.899 -0.088 1.00 0.00 H new ATOM 0 HB3 CYS A 91 69.625 1.985 -1.544 1.00 0.00 H new ATOM 0 HG CYS A 91 69.367 -0.013 0.300 1.00 0.00 H new ATOM 569 N LEU A 92 71.531 4.846 -1.868 1.00 0.00 N ATOM 570 CA LEU A 92 71.384 6.002 -2.740 1.00 0.00 C ATOM 571 C LEU A 92 72.601 6.167 -3.653 1.00 0.00 C ATOM 572 O LEU A 92 72.483 6.669 -4.770 1.00 0.00 O ATOM 573 CB LEU A 92 71.171 7.271 -1.899 1.00 0.00 C ATOM 574 CG LEU A 92 69.816 7.204 -1.175 1.00 0.00 C ATOM 575 CD1 LEU A 92 69.619 8.463 -0.331 1.00 0.00 C ATOM 576 CD2 LEU A 92 68.674 7.061 -2.181 1.00 0.00 C ATOM 0 H LEU A 92 71.610 5.075 -0.877 1.00 0.00 H new ATOM 0 HA LEU A 92 70.511 5.842 -3.373 1.00 0.00 H new ATOM 0 HB2 LEU A 92 71.976 7.374 -1.171 1.00 0.00 H new ATOM 0 HB3 LEU A 92 71.206 8.152 -2.540 1.00 0.00 H new ATOM 0 HG LEU A 92 69.810 6.330 -0.524 1.00 0.00 H new ATOM 0 HD11 LEU A 92 68.658 8.412 0.180 1.00 0.00 H new ATOM 0 HD12 LEU A 92 70.419 8.536 0.406 1.00 0.00 H new ATOM 0 HD13 LEU A 92 69.640 9.341 -0.977 1.00 0.00 H new ATOM 0 HD21 LEU A 92 67.724 7.015 -1.649 1.00 0.00 H new ATOM 0 HD22 LEU A 92 68.672 7.919 -2.854 1.00 0.00 H new ATOM 0 HD23 LEU A 92 68.810 6.147 -2.759 1.00 0.00 H new ATOM 588 N GLY A 93 73.766 5.752 -3.176 1.00 0.00 N ATOM 589 CA GLY A 93 74.988 5.873 -3.971 1.00 0.00 C ATOM 590 C GLY A 93 74.799 5.334 -5.395 1.00 0.00 C ATOM 591 O GLY A 93 74.908 6.090 -6.360 1.00 0.00 O ATOM 0 H GLY A 93 73.895 5.333 -2.255 1.00 0.00 H new ATOM 0 HA2 GLY A 93 75.290 6.919 -4.016 1.00 0.00 H new ATOM 0 HA3 GLY A 93 75.795 5.329 -3.481 1.00 0.00 H new ATOM 595 N PRO A 94 74.508 4.062 -5.550 1.00 0.00 N ATOM 596 CA PRO A 94 74.296 3.453 -6.900 1.00 0.00 C ATOM 597 C PRO A 94 73.091 4.056 -7.618 1.00 0.00 C ATOM 598 O PRO A 94 72.951 3.924 -8.833 1.00 0.00 O ATOM 599 CB PRO A 94 74.079 1.965 -6.607 1.00 0.00 C ATOM 600 CG PRO A 94 73.661 1.902 -5.177 1.00 0.00 C ATOM 601 CD PRO A 94 74.357 3.065 -4.478 1.00 0.00 C ATOM 0 HA PRO A 94 75.139 3.634 -7.566 1.00 0.00 H new ATOM 0 HB2 PRO A 94 73.314 1.543 -7.259 1.00 0.00 H new ATOM 0 HB3 PRO A 94 74.992 1.394 -6.775 1.00 0.00 H new ATOM 0 HG2 PRO A 94 72.578 1.984 -5.084 1.00 0.00 H new ATOM 0 HG3 PRO A 94 73.948 0.951 -4.729 1.00 0.00 H new ATOM 0 HD2 PRO A 94 73.762 3.451 -3.650 1.00 0.00 H new ATOM 0 HD3 PRO A 94 75.321 2.768 -4.066 1.00 0.00 H new ATOM 609 N ALA A 95 72.229 4.723 -6.857 1.00 0.00 N ATOM 610 CA ALA A 95 71.041 5.351 -7.422 1.00 0.00 C ATOM 611 C ALA A 95 71.438 6.394 -8.469 1.00 0.00 C ATOM 612 O ALA A 95 70.769 6.545 -9.493 1.00 0.00 O ATOM 613 CB ALA A 95 70.222 6.006 -6.305 1.00 0.00 C ATOM 0 H ALA A 95 72.331 4.842 -5.849 1.00 0.00 H new ATOM 0 HA ALA A 95 70.434 4.588 -7.909 1.00 0.00 H new ATOM 0 HB1 ALA A 95 69.335 6.474 -6.731 1.00 0.00 H new ATOM 0 HB2 ALA A 95 69.920 5.248 -5.582 1.00 0.00 H new ATOM 0 HB3 ALA A 95 70.827 6.763 -5.806 1.00 0.00 H new ATOM 619 N ALA A 96 72.532 7.108 -8.207 1.00 0.00 N ATOM 620 CA ALA A 96 73.013 8.126 -9.136 1.00 0.00 C ATOM 621 C ALA A 96 73.753 7.464 -10.311 1.00 0.00 C ATOM 622 O ALA A 96 74.725 6.742 -10.088 1.00 0.00 O ATOM 623 CB ALA A 96 73.973 9.069 -8.411 1.00 0.00 C ATOM 0 H ALA A 96 73.098 7.001 -7.365 1.00 0.00 H new ATOM 0 HA ALA A 96 72.159 8.686 -9.516 1.00 0.00 H new ATOM 0 HB1 ALA A 96 74.331 9.828 -9.106 1.00 0.00 H new ATOM 0 HB2 ALA A 96 73.453 9.551 -7.583 1.00 0.00 H new ATOM 0 HB3 ALA A 96 74.820 8.501 -8.026 1.00 0.00 H new ATOM 762 N GLY A 110 72.576 11.253 -16.802 1.00 0.00 N ATOM 763 CA GLY A 110 72.600 11.566 -15.379 1.00 0.00 C ATOM 764 C GLY A 110 74.036 11.687 -14.893 1.00 0.00 C ATOM 765 O GLY A 110 74.910 12.127 -15.641 1.00 0.00 O ATOM 0 HA2 GLY A 110 72.066 12.498 -15.195 1.00 0.00 H new ATOM 0 HA3 GLY A 110 72.083 10.787 -14.819 1.00 0.00 H new ATOM 769 N ASP A 111 74.263 11.292 -13.641 1.00 0.00 N ATOM 770 CA ASP A 111 75.605 11.347 -13.045 1.00 0.00 C ATOM 771 C ASP A 111 76.001 12.785 -12.737 1.00 0.00 C ATOM 772 O ASP A 111 76.703 13.429 -13.516 1.00 0.00 O ATOM 773 CB ASP A 111 76.640 10.723 -13.991 1.00 0.00 C ATOM 774 CG ASP A 111 77.880 10.295 -13.210 1.00 0.00 C ATOM 775 OD1 ASP A 111 77.878 10.450 -11.999 1.00 0.00 O ATOM 776 OD2 ASP A 111 78.812 9.819 -13.836 1.00 0.00 O ATOM 0 H ASP A 111 73.540 10.931 -13.018 1.00 0.00 H new ATOM 0 HA ASP A 111 75.581 10.779 -12.115 1.00 0.00 H new ATOM 0 HB2 ASP A 111 76.206 9.862 -14.499 1.00 0.00 H new ATOM 0 HB3 ASP A 111 76.918 11.441 -14.762 1.00 0.00 H new ATOM 781 N GLY A 112 75.525 13.288 -11.604 1.00 0.00 N ATOM 782 CA GLY A 112 75.804 14.655 -11.202 1.00 0.00 C ATOM 783 C GLY A 112 74.561 15.504 -11.388 1.00 0.00 C ATOM 784 O GLY A 112 74.436 16.587 -10.815 1.00 0.00 O ATOM 0 H GLY A 112 74.943 12.766 -10.949 1.00 0.00 H new ATOM 0 HA2 GLY A 112 76.121 14.681 -10.160 1.00 0.00 H new ATOM 0 HA3 GLY A 112 76.625 15.059 -11.795 1.00 0.00 H new ATOM 788 N THR A 113 73.632 14.984 -12.178 1.00 0.00 N ATOM 789 CA THR A 113 72.384 15.666 -12.427 1.00 0.00 C ATOM 790 C THR A 113 71.232 14.839 -11.866 1.00 0.00 C ATOM 791 O THR A 113 71.211 14.546 -10.677 1.00 0.00 O ATOM 792 CB THR A 113 72.223 15.945 -13.927 1.00 0.00 C ATOM 793 OG1 THR A 113 72.262 14.721 -14.646 1.00 0.00 O ATOM 794 CG2 THR A 113 73.357 16.856 -14.401 1.00 0.00 C ATOM 0 H THR A 113 73.726 14.088 -12.656 1.00 0.00 H new ATOM 0 HA THR A 113 72.379 16.631 -11.920 1.00 0.00 H new ATOM 0 HB THR A 113 71.266 16.436 -14.104 1.00 0.00 H new ATOM 0 HG1 THR A 113 72.157 14.901 -15.604 1.00 0.00 H new ATOM 0 HG21 THR A 113 73.243 17.054 -15.467 1.00 0.00 H new ATOM 0 HG22 THR A 113 73.322 17.796 -13.851 1.00 0.00 H new ATOM 0 HG23 THR A 113 74.315 16.367 -14.223 1.00 0.00 H new ATOM 802 N VAL A 114 70.277 14.464 -12.697 1.00 0.00 N ATOM 803 CA VAL A 114 69.152 13.683 -12.221 1.00 0.00 C ATOM 804 C VAL A 114 69.616 12.325 -11.701 1.00 0.00 C ATOM 805 O VAL A 114 70.529 11.711 -12.253 1.00 0.00 O ATOM 806 CB VAL A 114 68.162 13.495 -13.363 1.00 0.00 C ATOM 807 CG1 VAL A 114 67.886 14.845 -14.025 1.00 0.00 C ATOM 808 CG2 VAL A 114 68.760 12.542 -14.395 1.00 0.00 C ATOM 0 H VAL A 114 70.257 14.684 -13.693 1.00 0.00 H new ATOM 0 HA VAL A 114 68.672 14.213 -11.398 1.00 0.00 H new ATOM 0 HB VAL A 114 67.231 13.082 -12.975 1.00 0.00 H new ATOM 0 HG11 VAL A 114 67.178 14.711 -14.842 1.00 0.00 H new ATOM 0 HG12 VAL A 114 67.466 15.532 -13.290 1.00 0.00 H new ATOM 0 HG13 VAL A 114 68.817 15.256 -14.415 1.00 0.00 H new ATOM 0 HG21 VAL A 114 68.055 12.404 -15.215 1.00 0.00 H new ATOM 0 HG22 VAL A 114 69.689 12.961 -14.782 1.00 0.00 H new ATOM 0 HG23 VAL A 114 68.964 11.579 -13.926 1.00 0.00 H new ATOM 818 N VAL A 115 68.972 11.867 -10.634 1.00 0.00 N ATOM 819 CA VAL A 115 69.308 10.585 -10.027 1.00 0.00 C ATOM 820 C VAL A 115 68.162 9.606 -10.190 1.00 0.00 C ATOM 821 O VAL A 115 66.994 9.976 -10.079 1.00 0.00 O ATOM 822 CB VAL A 115 69.608 10.761 -8.541 1.00 0.00 C ATOM 823 CG1 VAL A 115 69.731 9.387 -7.877 1.00 0.00 C ATOM 824 CG2 VAL A 115 70.922 11.537 -8.374 1.00 0.00 C ATOM 0 H VAL A 115 68.213 12.366 -10.171 1.00 0.00 H new ATOM 0 HA VAL A 115 70.192 10.194 -10.531 1.00 0.00 H new ATOM 0 HB VAL A 115 68.798 11.317 -8.069 1.00 0.00 H new ATOM 0 HG11 VAL A 115 69.945 9.514 -6.816 1.00 0.00 H new ATOM 0 HG12 VAL A 115 68.795 8.841 -7.996 1.00 0.00 H new ATOM 0 HG13 VAL A 115 70.540 8.827 -8.346 1.00 0.00 H new ATOM 0 HG21 VAL A 115 71.138 11.663 -7.313 1.00 0.00 H new ATOM 0 HG22 VAL A 115 71.734 10.984 -8.846 1.00 0.00 H new ATOM 0 HG23 VAL A 115 70.829 12.516 -8.844 1.00 0.00 H new ATOM 834 N ASP A 116 68.498 8.356 -10.460 1.00 0.00 N ATOM 835 CA ASP A 116 67.476 7.342 -10.641 1.00 0.00 C ATOM 836 C ASP A 116 67.113 6.729 -9.301 1.00 0.00 C ATOM 837 O ASP A 116 67.975 6.312 -8.530 1.00 0.00 O ATOM 838 CB ASP A 116 67.959 6.249 -11.593 1.00 0.00 C ATOM 839 CG ASP A 116 68.159 6.823 -12.993 1.00 0.00 C ATOM 840 OD1 ASP A 116 67.619 7.884 -13.262 1.00 0.00 O ATOM 841 OD2 ASP A 116 68.852 6.193 -13.776 1.00 0.00 O ATOM 0 H ASP A 116 69.457 8.023 -10.557 1.00 0.00 H new ATOM 0 HA ASP A 116 66.595 7.816 -11.075 1.00 0.00 H new ATOM 0 HB2 ASP A 116 68.895 5.826 -11.228 1.00 0.00 H new ATOM 0 HB3 ASP A 116 67.233 5.437 -11.625 1.00 0.00 H new ATOM 846 N CYS A 117 65.823 6.696 -9.040 1.00 0.00 N ATOM 847 CA CYS A 117 65.293 6.157 -7.801 1.00 0.00 C ATOM 848 C CYS A 117 64.450 4.940 -8.135 1.00 0.00 C ATOM 849 O CYS A 117 63.648 5.019 -9.018 1.00 0.00 O ATOM 850 CB CYS A 117 64.402 7.218 -7.174 1.00 0.00 C ATOM 851 SG CYS A 117 63.919 6.716 -5.506 1.00 0.00 S ATOM 0 H CYS A 117 65.109 7.042 -9.681 1.00 0.00 H new ATOM 0 HA CYS A 117 66.096 5.881 -7.117 1.00 0.00 H new ATOM 0 HB2 CYS A 117 64.929 8.171 -7.137 1.00 0.00 H new ATOM 0 HB3 CYS A 117 63.514 7.368 -7.788 1.00 0.00 H new ATOM 0 HG CYS A 117 63.482 7.750 -4.851 1.00 0.00 H new ATOM 856 N PRO A 118 64.595 3.821 -7.499 1.00 0.00 N ATOM 857 CA PRO A 118 63.776 2.635 -7.872 1.00 0.00 C ATOM 858 C PRO A 118 62.274 2.876 -7.739 1.00 0.00 C ATOM 859 O PRO A 118 61.470 2.067 -8.204 1.00 0.00 O ATOM 860 CB PRO A 118 64.260 1.536 -6.922 1.00 0.00 C ATOM 861 CG PRO A 118 64.919 2.256 -5.789 1.00 0.00 C ATOM 862 CD PRO A 118 65.513 3.528 -6.390 1.00 0.00 C ATOM 0 HA PRO A 118 63.905 2.375 -8.923 1.00 0.00 H new ATOM 0 HB2 PRO A 118 63.428 0.926 -6.570 1.00 0.00 H new ATOM 0 HB3 PRO A 118 64.959 0.864 -7.421 1.00 0.00 H new ATOM 0 HG2 PRO A 118 64.199 2.493 -5.006 1.00 0.00 H new ATOM 0 HG3 PRO A 118 65.694 1.640 -5.333 1.00 0.00 H new ATOM 0 HD2 PRO A 118 65.545 4.342 -5.665 1.00 0.00 H new ATOM 0 HD3 PRO A 118 66.534 3.372 -6.740 1.00 0.00 H new ATOM 870 N VAL A 119 61.890 3.975 -7.106 1.00 0.00 N ATOM 871 CA VAL A 119 60.472 4.273 -6.931 1.00 0.00 C ATOM 872 C VAL A 119 59.882 4.971 -8.165 1.00 0.00 C ATOM 873 O VAL A 119 58.798 4.612 -8.627 1.00 0.00 O ATOM 874 CB VAL A 119 60.278 5.143 -5.696 1.00 0.00 C ATOM 875 CG1 VAL A 119 58.782 5.280 -5.403 1.00 0.00 C ATOM 876 CG2 VAL A 119 60.985 4.488 -4.508 1.00 0.00 C ATOM 0 H VAL A 119 62.527 4.666 -6.710 1.00 0.00 H new ATOM 0 HA VAL A 119 59.943 3.329 -6.802 1.00 0.00 H new ATOM 0 HB VAL A 119 60.700 6.133 -5.867 1.00 0.00 H new ATOM 0 HG11 VAL A 119 58.640 5.902 -4.519 1.00 0.00 H new ATOM 0 HG12 VAL A 119 58.285 5.742 -6.256 1.00 0.00 H new ATOM 0 HG13 VAL A 119 58.354 4.293 -5.225 1.00 0.00 H new ATOM 0 HG21 VAL A 119 60.851 5.105 -3.619 1.00 0.00 H new ATOM 0 HG22 VAL A 119 60.560 3.500 -4.331 1.00 0.00 H new ATOM 0 HG23 VAL A 119 62.049 4.392 -4.726 1.00 0.00 H new ATOM 886 N CYS A 120 60.600 5.959 -8.702 1.00 0.00 N ATOM 887 CA CYS A 120 60.134 6.684 -9.892 1.00 0.00 C ATOM 888 C CYS A 120 61.123 6.499 -11.036 1.00 0.00 C ATOM 889 O CYS A 120 60.755 6.477 -12.211 1.00 0.00 O ATOM 890 CB CYS A 120 60.007 8.176 -9.590 1.00 0.00 C ATOM 891 SG CYS A 120 61.277 8.673 -8.388 1.00 0.00 S ATOM 0 H CYS A 120 61.499 6.276 -8.338 1.00 0.00 H new ATOM 0 HA CYS A 120 59.160 6.285 -10.175 1.00 0.00 H new ATOM 0 HB2 CYS A 120 60.117 8.753 -10.508 1.00 0.00 H new ATOM 0 HB3 CYS A 120 59.015 8.393 -9.195 1.00 0.00 H new ATOM 0 HG CYS A 120 61.757 9.835 -8.719 1.00 0.00 H new ATOM 896 N LYS A 121 62.375 6.343 -10.656 1.00 0.00 N ATOM 897 CA LYS A 121 63.468 6.122 -11.593 1.00 0.00 C ATOM 898 C LYS A 121 63.664 7.332 -12.503 1.00 0.00 C ATOM 899 O LYS A 121 64.080 7.192 -13.651 1.00 0.00 O ATOM 900 CB LYS A 121 63.200 4.874 -12.441 1.00 0.00 C ATOM 901 CG LYS A 121 62.747 3.701 -11.564 1.00 0.00 C ATOM 902 CD LYS A 121 63.813 2.596 -11.542 1.00 0.00 C ATOM 903 CE LYS A 121 65.165 3.154 -11.078 1.00 0.00 C ATOM 904 NZ LYS A 121 66.058 3.360 -12.255 1.00 0.00 N ATOM 0 H LYS A 121 62.670 6.366 -9.680 1.00 0.00 H new ATOM 0 HA LYS A 121 64.380 5.973 -11.014 1.00 0.00 H new ATOM 0 HB2 LYS A 121 62.434 5.093 -13.185 1.00 0.00 H new ATOM 0 HB3 LYS A 121 64.104 4.598 -12.985 1.00 0.00 H new ATOM 0 HG2 LYS A 121 62.558 4.051 -10.549 1.00 0.00 H new ATOM 0 HG3 LYS A 121 61.807 3.299 -11.943 1.00 0.00 H new ATOM 0 HD2 LYS A 121 63.498 1.793 -10.876 1.00 0.00 H new ATOM 0 HD3 LYS A 121 63.915 2.163 -12.537 1.00 0.00 H new ATOM 0 HE2 LYS A 121 65.018 4.097 -10.552 1.00 0.00 H new ATOM 0 HE3 LYS A 121 65.630 2.465 -10.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 67.051 3.271 -11.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 65.848 2.644 -12.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 65.899 4.309 -12.650 1.00 0.00 H new ATOM 918 N GLN A 122 63.372 8.518 -11.977 1.00 0.00 N ATOM 919 CA GLN A 122 63.530 9.745 -12.752 1.00 0.00 C ATOM 920 C GLN A 122 63.550 10.968 -11.841 1.00 0.00 C ATOM 921 O GLN A 122 62.778 11.056 -10.886 1.00 0.00 O ATOM 922 CB GLN A 122 62.392 9.880 -13.762 1.00 0.00 C ATOM 923 CG GLN A 122 62.586 11.158 -14.586 1.00 0.00 C ATOM 924 CD GLN A 122 61.440 11.303 -15.584 1.00 0.00 C ATOM 925 OE1 GLN A 122 60.275 11.341 -15.188 1.00 0.00 O ATOM 926 NE2 GLN A 122 61.698 11.387 -16.861 1.00 0.00 N ATOM 0 H GLN A 122 63.028 8.656 -11.027 1.00 0.00 H new ATOM 0 HA GLN A 122 64.481 9.689 -13.281 1.00 0.00 H new ATOM 0 HB2 GLN A 122 62.371 9.011 -14.419 1.00 0.00 H new ATOM 0 HB3 GLN A 122 61.434 9.911 -13.244 1.00 0.00 H new ATOM 0 HG2 GLN A 122 62.620 12.026 -13.927 1.00 0.00 H new ATOM 0 HG3 GLN A 122 63.539 11.121 -15.114 1.00 0.00 H new ATOM 0 HE21 GLN A 122 62.663 11.356 -17.189 1.00 0.00 H new ATOM 0 HE22 GLN A 122 60.934 11.484 -17.530 1.00 0.00 H new ATOM 935 N GLN A 123 64.428 11.915 -12.150 1.00 0.00 N ATOM 936 CA GLN A 123 64.529 13.138 -11.361 1.00 0.00 C ATOM 937 C GLN A 123 64.817 14.340 -12.249 1.00 0.00 C ATOM 938 O GLN A 123 65.257 14.189 -13.383 1.00 0.00 O ATOM 939 CB GLN A 123 65.626 13.000 -10.297 1.00 0.00 C ATOM 940 CG GLN A 123 64.984 12.693 -8.939 1.00 0.00 C ATOM 941 CD GLN A 123 64.103 13.865 -8.512 1.00 0.00 C ATOM 942 OE1 GLN A 123 62.936 13.677 -8.172 1.00 0.00 O ATOM 943 NE2 GLN A 123 64.593 15.075 -8.526 1.00 0.00 N ATOM 0 H GLN A 123 65.076 11.861 -12.936 1.00 0.00 H new ATOM 0 HA GLN A 123 63.571 13.297 -10.866 1.00 0.00 H new ATOM 0 HB2 GLN A 123 66.317 12.204 -10.573 1.00 0.00 H new ATOM 0 HB3 GLN A 123 66.207 13.920 -10.237 1.00 0.00 H new ATOM 0 HG2 GLN A 123 64.389 11.782 -9.004 1.00 0.00 H new ATOM 0 HG3 GLN A 123 65.757 12.515 -8.192 1.00 0.00 H new ATOM 0 HE21 GLN A 123 65.561 15.230 -8.808 1.00 0.00 H new ATOM 0 HE22 GLN A 123 64.008 15.865 -8.255 1.00 0.00 H new ATOM 952 N CYS A 124 64.557 15.534 -11.722 1.00 0.00 N ATOM 953 CA CYS A 124 64.801 16.762 -12.472 1.00 0.00 C ATOM 954 C CYS A 124 66.158 17.345 -12.091 1.00 0.00 C ATOM 955 O CYS A 124 66.921 17.787 -12.950 1.00 0.00 O ATOM 956 CB CYS A 124 63.702 17.787 -12.181 1.00 0.00 C ATOM 957 SG CYS A 124 62.115 17.154 -12.774 1.00 0.00 S ATOM 0 H CYS A 124 64.180 15.677 -10.785 1.00 0.00 H new ATOM 0 HA CYS A 124 64.796 16.527 -13.536 1.00 0.00 H new ATOM 0 HB2 CYS A 124 63.649 17.986 -11.111 1.00 0.00 H new ATOM 0 HB3 CYS A 124 63.934 18.733 -12.670 1.00 0.00 H new ATOM 0 HG CYS A 124 61.181 18.023 -12.525 1.00 0.00 H new ATOM 963 N PHE A 125 66.447 17.341 -10.793 1.00 0.00 N ATOM 964 CA PHE A 125 67.711 17.870 -10.293 1.00 0.00 C ATOM 965 C PHE A 125 68.219 17.018 -9.140 1.00 0.00 C ATOM 966 O PHE A 125 67.538 16.097 -8.691 1.00 0.00 O ATOM 967 CB PHE A 125 67.529 19.303 -9.798 1.00 0.00 C ATOM 968 CG PHE A 125 66.845 20.122 -10.865 1.00 0.00 C ATOM 969 CD1 PHE A 125 65.476 20.401 -10.764 1.00 0.00 C ATOM 970 CD2 PHE A 125 67.577 20.599 -11.959 1.00 0.00 C ATOM 971 CE1 PHE A 125 64.840 21.156 -11.756 1.00 0.00 C ATOM 972 CE2 PHE A 125 66.940 21.354 -12.952 1.00 0.00 C ATOM 973 CZ PHE A 125 65.572 21.632 -12.850 1.00 0.00 C ATOM 0 H PHE A 125 65.825 16.978 -10.071 1.00 0.00 H new ATOM 0 HA PHE A 125 68.432 17.853 -11.111 1.00 0.00 H new ATOM 0 HB2 PHE A 125 66.936 19.310 -8.883 1.00 0.00 H new ATOM 0 HB3 PHE A 125 68.497 19.740 -9.554 1.00 0.00 H new ATOM 0 HD1 PHE A 125 64.911 20.033 -9.920 1.00 0.00 H new ATOM 0 HD2 PHE A 125 68.633 20.385 -12.037 1.00 0.00 H new ATOM 0 HE1 PHE A 125 63.785 21.371 -11.677 1.00 0.00 H new ATOM 0 HE2 PHE A 125 67.504 21.722 -13.796 1.00 0.00 H new ATOM 0 HZ PHE A 125 65.081 22.214 -13.616 1.00 0.00 H new ATOM 983 N SER A 126 69.416 17.336 -8.662 1.00 0.00 N ATOM 984 CA SER A 126 69.998 16.595 -7.554 1.00 0.00 C ATOM 985 C SER A 126 70.386 17.528 -6.408 1.00 0.00 C ATOM 986 O SER A 126 71.450 17.392 -5.804 1.00 0.00 O ATOM 987 CB SER A 126 71.210 15.811 -8.043 1.00 0.00 C ATOM 988 OG SER A 126 70.826 14.462 -8.251 1.00 0.00 O ATOM 0 H SER A 126 69.996 18.094 -9.021 1.00 0.00 H new ATOM 0 HA SER A 126 69.252 15.899 -7.172 1.00 0.00 H new ATOM 0 HB2 SER A 126 71.591 16.242 -8.969 1.00 0.00 H new ATOM 0 HB3 SER A 126 72.016 15.866 -7.311 1.00 0.00 H new ATOM 0 HG SER A 126 70.544 14.342 -9.182 1.00 0.00 H new ATOM 994 N LYS A 127 69.512 18.473 -6.110 1.00 0.00 N ATOM 995 CA LYS A 127 69.770 19.417 -5.028 1.00 0.00 C ATOM 996 C LYS A 127 69.322 18.845 -3.682 1.00 0.00 C ATOM 997 O LYS A 127 69.708 19.355 -2.628 1.00 0.00 O ATOM 998 CB LYS A 127 69.038 20.730 -5.289 1.00 0.00 C ATOM 999 CG LYS A 127 69.475 21.329 -6.632 1.00 0.00 C ATOM 1000 CD LYS A 127 70.962 21.693 -6.594 1.00 0.00 C ATOM 1001 CE LYS A 127 71.353 22.352 -7.918 1.00 0.00 C ATOM 1002 NZ LYS A 127 72.802 22.700 -7.891 1.00 0.00 N ATOM 0 H LYS A 127 68.625 18.610 -6.594 1.00 0.00 H new ATOM 0 HA LYS A 127 70.844 19.599 -4.991 1.00 0.00 H new ATOM 0 HB2 LYS A 127 67.962 20.559 -5.293 1.00 0.00 H new ATOM 0 HB3 LYS A 127 69.245 21.435 -4.484 1.00 0.00 H new ATOM 0 HG2 LYS A 127 69.289 20.615 -7.434 1.00 0.00 H new ATOM 0 HG3 LYS A 127 68.882 22.217 -6.852 1.00 0.00 H new ATOM 0 HD2 LYS A 127 71.162 22.371 -5.764 1.00 0.00 H new ATOM 0 HD3 LYS A 127 71.563 20.799 -6.427 1.00 0.00 H new ATOM 0 HE2 LYS A 127 71.146 21.676 -8.748 1.00 0.00 H new ATOM 0 HE3 LYS A 127 70.756 23.249 -8.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 73.068 23.148 -8.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 72.986 23.359 -7.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 73.364 21.836 -7.755 1.00 0.00 H new ATOM 1016 N ASP A 128 68.512 17.787 -3.714 1.00 0.00 N ATOM 1017 CA ASP A 128 68.033 17.168 -2.481 1.00 0.00 C ATOM 1018 C ASP A 128 68.587 15.752 -2.334 1.00 0.00 C ATOM 1019 O ASP A 128 68.010 14.923 -1.630 1.00 0.00 O ATOM 1020 CB ASP A 128 66.505 17.113 -2.472 1.00 0.00 C ATOM 1021 CG ASP A 128 65.979 17.239 -1.044 1.00 0.00 C ATOM 1022 OD1 ASP A 128 66.770 17.096 -0.125 1.00 0.00 O ATOM 1023 OD2 ASP A 128 64.793 17.479 -0.891 1.00 0.00 O ATOM 0 H ASP A 128 68.177 17.346 -4.571 1.00 0.00 H new ATOM 0 HA ASP A 128 68.381 17.775 -1.645 1.00 0.00 H new ATOM 0 HB2 ASP A 128 66.102 17.917 -3.088 1.00 0.00 H new ATOM 0 HB3 ASP A 128 66.165 16.175 -2.911 1.00 0.00 H new ATOM 1028 N ILE A 129 69.701 15.477 -3.007 1.00 0.00 N ATOM 1029 CA ILE A 129 70.308 14.150 -2.944 1.00 0.00 C ATOM 1030 C ILE A 129 70.892 13.879 -1.567 1.00 0.00 C ATOM 1031 O ILE A 129 70.708 14.666 -0.639 1.00 0.00 O ATOM 1032 CB ILE A 129 71.404 14.013 -4.002 1.00 0.00 C ATOM 1033 CG1 ILE A 129 72.445 15.119 -3.807 1.00 0.00 C ATOM 1034 CG2 ILE A 129 70.788 14.119 -5.391 1.00 0.00 C ATOM 1035 CD1 ILE A 129 73.618 14.899 -4.766 1.00 0.00 C ATOM 0 H ILE A 129 70.197 16.146 -3.596 1.00 0.00 H new ATOM 0 HA ILE A 129 69.525 13.418 -3.139 1.00 0.00 H new ATOM 0 HB ILE A 129 71.890 13.043 -3.900 1.00 0.00 H new ATOM 0 HG12 ILE A 129 71.992 16.094 -3.989 1.00 0.00 H new ATOM 0 HG13 ILE A 129 72.800 15.120 -2.777 1.00 0.00 H new ATOM 0 HG21 ILE A 129 71.570 14.021 -6.144 1.00 0.00 H new ATOM 0 HG22 ILE A 129 70.054 13.325 -5.525 1.00 0.00 H new ATOM 0 HG23 ILE A 129 70.299 15.087 -5.499 1.00 0.00 H new ATOM 0 HD11 ILE A 129 74.357 15.688 -4.624 1.00 0.00 H new ATOM 0 HD12 ILE A 129 74.077 13.931 -4.563 1.00 0.00 H new ATOM 0 HD13 ILE A 129 73.256 14.921 -5.794 1.00 0.00 H new ATOM 1047 N VAL A 130 71.584 12.747 -1.447 1.00 0.00 N ATOM 1048 CA VAL A 130 72.191 12.354 -0.185 1.00 0.00 C ATOM 1049 C VAL A 130 72.910 13.530 0.450 1.00 0.00 C ATOM 1050 O VAL A 130 73.975 13.925 -0.010 1.00 0.00 O ATOM 1051 CB VAL A 130 73.183 11.212 -0.412 1.00 0.00 C ATOM 1052 CG1 VAL A 130 72.421 9.895 -0.512 1.00 0.00 C ATOM 1053 CG2 VAL A 130 73.968 11.450 -1.709 1.00 0.00 C ATOM 0 H VAL A 130 71.736 12.089 -2.211 1.00 0.00 H new ATOM 0 HA VAL A 130 71.400 12.019 0.486 1.00 0.00 H new ATOM 0 HB VAL A 130 73.881 11.170 0.424 1.00 0.00 H new ATOM 0 HG11 VAL A 130 73.125 9.079 -0.674 1.00 0.00 H new ATOM 0 HG12 VAL A 130 71.871 9.722 0.413 1.00 0.00 H new ATOM 0 HG13 VAL A 130 71.722 9.942 -1.347 1.00 0.00 H new ATOM 0 HG21 VAL A 130 74.672 10.632 -1.863 1.00 0.00 H new ATOM 0 HG22 VAL A 130 73.276 11.496 -2.550 1.00 0.00 H new ATOM 0 HG23 VAL A 130 74.514 12.390 -1.636 1.00 0.00 H new ATOM 1063 N GLU A 131 72.298 14.080 1.497 1.00 0.00 N ATOM 1064 CA GLU A 131 72.844 15.228 2.215 1.00 0.00 C ATOM 1065 C GLU A 131 71.809 15.807 3.160 1.00 0.00 C ATOM 1066 O GLU A 131 72.146 16.367 4.202 1.00 0.00 O ATOM 1067 CB GLU A 131 73.209 16.328 1.234 1.00 0.00 C ATOM 1068 CG GLU A 131 74.727 16.392 1.090 1.00 0.00 C ATOM 1069 CD GLU A 131 75.107 17.037 -0.240 1.00 0.00 C ATOM 1070 OE1 GLU A 131 75.006 16.365 -1.252 1.00 0.00 O ATOM 1071 OE2 GLU A 131 75.494 18.194 -0.225 1.00 0.00 O ATOM 0 H GLU A 131 71.411 13.742 1.870 1.00 0.00 H new ATOM 0 HA GLU A 131 73.719 14.885 2.767 1.00 0.00 H new ATOM 0 HB2 GLU A 131 72.748 16.135 0.265 1.00 0.00 H new ATOM 0 HB3 GLU A 131 72.825 17.286 1.584 1.00 0.00 H new ATOM 0 HG2 GLU A 131 75.153 16.964 1.914 1.00 0.00 H new ATOM 0 HG3 GLU A 131 75.147 15.388 1.148 1.00 0.00 H new ATOM 1078 N ASN A 132 70.551 15.708 2.762 1.00 0.00 N ATOM 1079 CA ASN A 132 69.486 16.273 3.562 1.00 0.00 C ATOM 1080 C ASN A 132 68.902 15.236 4.510 1.00 0.00 C ATOM 1081 O ASN A 132 67.736 14.860 4.391 1.00 0.00 O ATOM 1082 CB ASN A 132 68.391 16.816 2.647 1.00 0.00 C ATOM 1083 CG ASN A 132 69.016 17.740 1.614 1.00 0.00 C ATOM 1084 OD1 ASN A 132 69.210 18.929 1.874 1.00 0.00 O ATOM 1085 ND2 ASN A 132 69.373 17.255 0.460 1.00 0.00 N ATOM 0 H ASN A 132 70.249 15.249 1.903 1.00 0.00 H new ATOM 0 HA ASN A 132 69.899 17.084 4.161 1.00 0.00 H new ATOM 0 HB2 ASN A 132 67.874 15.994 2.152 1.00 0.00 H new ATOM 0 HB3 ASN A 132 67.646 17.356 3.232 1.00 0.00 H new ATOM 0 HD21 ASN A 132 69.815 17.859 -0.233 1.00 0.00 H new ATOM 0 HD22 ASN A 132 69.211 16.270 0.248 1.00 0.00 H new ATOM 1092 N TYR A 133 69.718 14.778 5.451 1.00 0.00 N ATOM 1093 CA TYR A 133 69.275 13.789 6.408 1.00 0.00 C ATOM 1094 C TYR A 133 68.108 14.329 7.229 1.00 0.00 C ATOM 1095 O TYR A 133 68.098 15.496 7.622 1.00 0.00 O ATOM 1096 CB TYR A 133 70.440 13.429 7.325 1.00 0.00 C ATOM 1097 CG TYR A 133 70.647 14.516 8.345 1.00 0.00 C ATOM 1098 CD1 TYR A 133 70.121 14.364 9.626 1.00 0.00 C ATOM 1099 CD2 TYR A 133 71.360 15.674 8.010 1.00 0.00 C ATOM 1100 CE1 TYR A 133 70.304 15.368 10.585 1.00 0.00 C ATOM 1101 CE2 TYR A 133 71.545 16.681 8.967 1.00 0.00 C ATOM 1102 CZ TYR A 133 71.018 16.528 10.255 1.00 0.00 C ATOM 1103 OH TYR A 133 71.199 17.519 11.197 1.00 0.00 O ATOM 0 H TYR A 133 70.686 15.078 5.567 1.00 0.00 H new ATOM 0 HA TYR A 133 68.936 12.899 5.878 1.00 0.00 H new ATOM 0 HB2 TYR A 133 70.240 12.482 7.826 1.00 0.00 H new ATOM 0 HB3 TYR A 133 71.348 13.293 6.737 1.00 0.00 H new ATOM 0 HD1 TYR A 133 69.571 13.470 9.880 1.00 0.00 H new ATOM 0 HD2 TYR A 133 71.766 15.791 7.016 1.00 0.00 H new ATOM 0 HE1 TYR A 133 69.895 15.249 11.578 1.00 0.00 H new ATOM 0 HE2 TYR A 133 72.094 17.575 8.711 1.00 0.00 H new ATOM 0 HH TYR A 133 71.716 18.253 10.804 1.00 0.00 H new ATOM 1113 N PHE A 134 67.121 13.475 7.480 1.00 0.00 N ATOM 1114 CA PHE A 134 65.957 13.884 8.250 1.00 0.00 C ATOM 1115 C PHE A 134 66.149 13.551 9.724 1.00 0.00 C ATOM 1116 O PHE A 134 66.369 14.439 10.549 1.00 0.00 O ATOM 1117 CB PHE A 134 64.712 13.173 7.719 1.00 0.00 C ATOM 1118 CG PHE A 134 63.507 13.594 8.517 1.00 0.00 C ATOM 1119 CD1 PHE A 134 62.837 14.764 8.175 1.00 0.00 C ATOM 1120 CD2 PHE A 134 63.063 12.816 9.590 1.00 0.00 C ATOM 1121 CE1 PHE A 134 61.712 15.167 8.903 1.00 0.00 C ATOM 1122 CE2 PHE A 134 61.939 13.215 10.323 1.00 0.00 C ATOM 1123 CZ PHE A 134 61.262 14.392 9.978 1.00 0.00 C ATOM 0 H PHE A 134 67.105 12.505 7.164 1.00 0.00 H new ATOM 0 HA PHE A 134 65.832 14.962 8.148 1.00 0.00 H new ATOM 0 HB2 PHE A 134 64.565 13.414 6.666 1.00 0.00 H new ATOM 0 HB3 PHE A 134 64.843 12.093 7.783 1.00 0.00 H new ATOM 0 HD1 PHE A 134 63.186 15.362 7.346 1.00 0.00 H new ATOM 0 HD2 PHE A 134 63.586 11.909 9.853 1.00 0.00 H new ATOM 0 HE1 PHE A 134 61.192 16.075 8.636 1.00 0.00 H new ATOM 0 HE2 PHE A 134 61.594 12.616 11.153 1.00 0.00 H new ATOM 0 HZ PHE A 134 60.394 14.701 10.541 1.00 0.00 H new ATOM 1133 N MET A 135 66.065 12.266 10.043 1.00 0.00 N ATOM 1134 CA MET A 135 66.228 11.816 11.416 1.00 0.00 C ATOM 1135 C MET A 135 66.796 10.401 11.453 1.00 0.00 C ATOM 1136 O MET A 135 66.473 9.568 10.605 1.00 0.00 O ATOM 1137 CB MET A 135 64.881 11.844 12.130 1.00 0.00 C ATOM 1138 CG MET A 135 65.094 11.573 13.621 1.00 0.00 C ATOM 1139 SD MET A 135 63.515 11.703 14.496 1.00 0.00 S ATOM 1140 CE MET A 135 64.141 11.328 16.153 1.00 0.00 C ATOM 0 H MET A 135 65.885 11.520 9.371 1.00 0.00 H new ATOM 0 HA MET A 135 66.924 12.486 11.921 1.00 0.00 H new ATOM 0 HB2 MET A 135 64.402 12.813 11.989 1.00 0.00 H new ATOM 0 HB3 MET A 135 64.215 11.094 11.704 1.00 0.00 H new ATOM 0 HG2 MET A 135 65.519 10.579 13.763 1.00 0.00 H new ATOM 0 HG3 MET A 135 65.808 12.287 14.032 1.00 0.00 H new ATOM 0 HE1 MET A 135 63.438 10.673 16.668 1.00 0.00 H new ATOM 0 HE2 MET A 135 65.108 10.831 16.073 1.00 0.00 H new ATOM 0 HE3 MET A 135 64.254 12.254 16.717 1.00 0.00 H new ATOM 1150 N ARG A 136 67.630 10.132 12.449 1.00 0.00 N ATOM 1151 CA ARG A 136 68.223 8.815 12.602 1.00 0.00 C ATOM 1152 C ARG A 136 67.868 8.262 13.975 1.00 0.00 C ATOM 1153 O ARG A 136 68.482 8.618 14.979 1.00 0.00 O ATOM 1154 CB ARG A 136 69.740 8.898 12.455 1.00 0.00 C ATOM 1155 CG ARG A 136 70.091 9.272 11.017 1.00 0.00 C ATOM 1156 CD ARG A 136 71.579 9.033 10.782 1.00 0.00 C ATOM 1157 NE ARG A 136 72.378 9.904 11.639 1.00 0.00 N ATOM 1158 CZ ARG A 136 73.703 9.768 11.736 1.00 0.00 C ATOM 1159 NH1 ARG A 136 74.331 8.836 11.065 1.00 0.00 N ATOM 1160 NH2 ARG A 136 74.379 10.575 12.506 1.00 0.00 N ATOM 0 H ARG A 136 67.909 10.808 13.160 1.00 0.00 H new ATOM 0 HA ARG A 136 67.833 8.154 11.828 1.00 0.00 H new ATOM 0 HB2 ARG A 136 70.143 9.640 13.144 1.00 0.00 H new ATOM 0 HB3 ARG A 136 70.194 7.942 12.715 1.00 0.00 H new ATOM 0 HG2 ARG A 136 69.501 8.677 10.320 1.00 0.00 H new ATOM 0 HG3 ARG A 136 69.845 10.317 10.831 1.00 0.00 H new ATOM 0 HD2 ARG A 136 71.822 7.990 10.985 1.00 0.00 H new ATOM 0 HD3 ARG A 136 71.823 9.219 9.736 1.00 0.00 H new ATOM 0 HE ARG A 136 71.913 10.635 12.177 1.00 0.00 H new ATOM 0 HH11 ARG A 136 73.808 8.203 10.459 1.00 0.00 H new ATOM 0 HH12 ARG A 136 75.343 8.742 11.148 1.00 0.00 H new ATOM 0 HH21 ARG A 136 73.895 11.305 13.030 1.00 0.00 H new ATOM 0 HH22 ARG A 136 75.391 10.476 12.585 1.00 0.00 H new ATOM 1174 N ASP A 137 66.867 7.397 14.006 1.00 0.00 N ATOM 1175 CA ASP A 137 66.424 6.802 15.264 1.00 0.00 C ATOM 1176 C ASP A 137 66.189 5.311 15.099 1.00 0.00 C ATOM 1177 O ASP A 137 65.281 4.745 15.706 1.00 0.00 O ATOM 1178 CB ASP A 137 65.132 7.463 15.726 1.00 0.00 C ATOM 1179 CG ASP A 137 64.902 7.173 17.206 1.00 0.00 C ATOM 1180 OD1 ASP A 137 65.769 6.563 17.810 1.00 0.00 O ATOM 1181 OD2 ASP A 137 63.864 7.566 17.712 1.00 0.00 O ATOM 0 H ASP A 137 66.347 7.091 13.184 1.00 0.00 H new ATOM 0 HA ASP A 137 67.205 6.959 16.008 1.00 0.00 H new ATOM 0 HB2 ASP A 137 65.184 8.539 15.561 1.00 0.00 H new ATOM 0 HB3 ASP A 137 64.293 7.091 15.139 1.00 0.00 H new ATOM 1186 N SER A 138 67.000 4.682 14.265 1.00 0.00 N ATOM 1187 CA SER A 138 66.864 3.262 14.018 1.00 0.00 C ATOM 1188 C SER A 138 66.785 2.483 15.328 1.00 0.00 C ATOM 1189 O SER A 138 65.715 2.006 15.709 1.00 0.00 O ATOM 1190 CB SER A 138 68.047 2.785 13.185 1.00 0.00 C ATOM 1191 OG SER A 138 68.175 3.621 12.042 1.00 0.00 O ATOM 0 H SER A 138 67.756 5.133 13.750 1.00 0.00 H new ATOM 0 HA SER A 138 65.937 3.084 13.472 1.00 0.00 H new ATOM 0 HB2 SER A 138 68.961 2.815 13.778 1.00 0.00 H new ATOM 0 HB3 SER A 138 67.899 1.749 12.879 1.00 0.00 H new ATOM 0 HG SER A 138 67.489 3.383 11.384 1.00 0.00 H new