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= -0.0379 K(o=-0.038,f=-0.99) USER MOD Single : A 86 SER OG : rot -140:sc= -0.81 USER MOD Single : A 89 SER OG : rot 40:sc= -0.853 USER MOD Single : A 101 ASN : amide:sc= -2.33 X(o=-2.3,f=-2.2) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 113 THR OG1 : rot 170:sc= -0.331 USER MOD Single : A 121 LYS NZ :NH3+ -162:sc= 0.871 (180deg=0.63) USER MOD Single : A 122 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 123 GLN : amide:sc= -2.55 K(o=-2.6,f=-4.6!) USER MOD Single : A 124 CYS SG : rot -112:sc= 0.673 USER MOD Single : A 126 SER OG : rot -157:sc= 1.27 USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 132 ASN :FLIP amide:sc= -0.32 F(o=-1.4,f=-0.32) USER MOD Single : A 133 TYR OH : rot 180:sc= 0 USER MOD Single : A 135 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 138 SER OG : rot 110:sc= -1.48 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 57.078 -1.081 14.007 1.00 0.00 N ATOM 2 CA GLY A 54 58.435 -0.737 13.593 1.00 0.00 C ATOM 3 C GLY A 54 59.086 0.215 14.590 1.00 0.00 C ATOM 4 O GLY A 54 58.607 1.329 14.805 1.00 0.00 O ATOM 0 HA2 GLY A 54 59.034 -1.644 13.507 1.00 0.00 H new ATOM 0 HA3 GLY A 54 58.412 -0.275 12.606 1.00 0.00 H new ATOM 8 N GLY A 55 60.183 -0.232 15.194 1.00 0.00 N ATOM 9 CA GLY A 55 60.901 0.584 16.165 1.00 0.00 C ATOM 10 C GLY A 55 61.436 1.859 15.522 1.00 0.00 C ATOM 11 O GLY A 55 61.404 2.931 16.128 1.00 0.00 O ATOM 0 H GLY A 55 60.592 -1.152 15.028 1.00 0.00 H new ATOM 0 HA2 GLY A 55 60.237 0.840 16.991 1.00 0.00 H new ATOM 0 HA3 GLY A 55 61.727 0.011 16.586 1.00 0.00 H new ATOM 15 N ALA A 56 61.929 1.737 14.294 1.00 0.00 N ATOM 16 CA ALA A 56 62.469 2.889 13.585 1.00 0.00 C ATOM 17 C ALA A 56 61.414 3.990 13.491 1.00 0.00 C ATOM 18 O ALA A 56 60.237 3.717 13.256 1.00 0.00 O ATOM 19 CB ALA A 56 62.908 2.472 12.178 1.00 0.00 C ATOM 0 H ALA A 56 61.965 0.860 13.774 1.00 0.00 H new ATOM 0 HA ALA A 56 63.330 3.270 14.134 1.00 0.00 H new ATOM 0 HB1 ALA A 56 63.311 3.337 11.651 1.00 0.00 H new ATOM 0 HB2 ALA A 56 63.675 1.701 12.250 1.00 0.00 H new ATOM 0 HB3 ALA A 56 62.051 2.081 11.630 1.00 0.00 H new ATOM 25 N GLU A 57 61.846 5.233 13.672 1.00 0.00 N ATOM 26 CA GLU A 57 60.938 6.377 13.603 1.00 0.00 C ATOM 27 C GLU A 57 60.836 6.910 12.177 1.00 0.00 C ATOM 28 O GLU A 57 60.301 7.991 11.942 1.00 0.00 O ATOM 29 CB GLU A 57 61.424 7.486 14.523 1.00 0.00 C ATOM 30 CG GLU A 57 61.397 6.996 15.970 1.00 0.00 C ATOM 31 CD GLU A 57 59.958 6.753 16.411 1.00 0.00 C ATOM 32 OE1 GLU A 57 59.066 7.305 15.787 1.00 0.00 O ATOM 33 OE2 GLU A 57 59.768 6.018 17.366 1.00 0.00 O ATOM 0 H GLU A 57 62.817 5.476 13.867 1.00 0.00 H new ATOM 0 HA GLU A 57 59.951 6.042 13.922 1.00 0.00 H new ATOM 0 HB2 GLU A 57 62.436 7.784 14.248 1.00 0.00 H new ATOM 0 HB3 GLU A 57 60.791 8.367 14.414 1.00 0.00 H new ATOM 0 HG2 GLU A 57 61.975 6.076 16.062 1.00 0.00 H new ATOM 0 HG3 GLU A 57 61.866 7.733 16.621 1.00 0.00 H new ATOM 40 N ALA A 58 61.346 6.134 11.234 1.00 0.00 N ATOM 41 CA ALA A 58 61.324 6.505 9.825 1.00 0.00 C ATOM 42 C ALA A 58 59.907 6.724 9.312 1.00 0.00 C ATOM 43 O ALA A 58 59.713 7.250 8.218 1.00 0.00 O ATOM 44 CB ALA A 58 62.043 5.452 8.989 1.00 0.00 C ATOM 0 H ALA A 58 61.785 5.233 11.421 1.00 0.00 H new ATOM 0 HA ALA A 58 61.850 7.455 9.728 1.00 0.00 H new ATOM 0 HB1 ALA A 58 62.019 5.742 7.939 1.00 0.00 H new ATOM 0 HB2 ALA A 58 63.079 5.370 9.319 1.00 0.00 H new ATOM 0 HB3 ALA A 58 61.546 4.489 9.111 1.00 0.00 H new ATOM 50 N LEU A 59 58.928 6.333 10.109 1.00 0.00 N ATOM 51 CA LEU A 59 57.528 6.490 9.747 1.00 0.00 C ATOM 52 C LEU A 59 57.266 7.895 9.229 1.00 0.00 C ATOM 53 O LEU A 59 56.360 8.112 8.424 1.00 0.00 O ATOM 54 CB LEU A 59 56.685 6.270 10.986 1.00 0.00 C ATOM 55 CG LEU A 59 56.766 4.804 11.382 1.00 0.00 C ATOM 56 CD1 LEU A 59 56.279 4.653 12.816 1.00 0.00 C ATOM 57 CD2 LEU A 59 55.870 3.957 10.469 1.00 0.00 C ATOM 0 H LEU A 59 59.078 5.900 11.020 1.00 0.00 H new ATOM 0 HA LEU A 59 57.277 5.770 8.968 1.00 0.00 H new ATOM 0 HB2 LEU A 59 57.040 6.901 11.801 1.00 0.00 H new ATOM 0 HB3 LEU A 59 55.650 6.552 10.793 1.00 0.00 H new ATOM 0 HG LEU A 59 57.798 4.467 11.288 1.00 0.00 H new ATOM 0 HD11 LEU A 59 56.333 3.605 13.110 1.00 0.00 H new ATOM 0 HD12 LEU A 59 56.907 5.249 13.478 1.00 0.00 H new ATOM 0 HD13 LEU A 59 55.247 4.997 12.888 1.00 0.00 H new ATOM 0 HD21 LEU A 59 55.937 2.910 10.763 1.00 0.00 H new ATOM 0 HD22 LEU A 59 54.837 4.294 10.559 1.00 0.00 H new ATOM 0 HD23 LEU A 59 56.198 4.065 9.435 1.00 0.00 H new ATOM 69 N GLU A 60 58.063 8.846 9.700 1.00 0.00 N ATOM 70 CA GLU A 60 57.900 10.228 9.270 1.00 0.00 C ATOM 71 C GLU A 60 57.818 10.311 7.760 1.00 0.00 C ATOM 72 O GLU A 60 56.962 11.004 7.210 1.00 0.00 O ATOM 73 CB GLU A 60 59.059 11.127 9.740 1.00 0.00 C ATOM 74 CG GLU A 60 60.401 10.388 9.652 1.00 0.00 C ATOM 75 CD GLU A 60 61.531 11.295 10.131 1.00 0.00 C ATOM 76 OE1 GLU A 60 61.805 12.274 9.457 1.00 0.00 O ATOM 77 OE2 GLU A 60 62.109 10.993 11.162 1.00 0.00 O ATOM 0 H GLU A 60 58.817 8.690 10.369 1.00 0.00 H new ATOM 0 HA GLU A 60 56.974 10.583 9.723 1.00 0.00 H new ATOM 0 HB2 GLU A 60 59.096 12.028 9.128 1.00 0.00 H new ATOM 0 HB3 GLU A 60 58.883 11.446 10.767 1.00 0.00 H new ATOM 0 HG2 GLU A 60 60.368 9.484 10.260 1.00 0.00 H new ATOM 0 HG3 GLU A 60 60.586 10.075 8.624 1.00 0.00 H new ATOM 84 N LEU A 61 58.716 9.611 7.097 1.00 0.00 N ATOM 85 CA LEU A 61 58.741 9.622 5.642 1.00 0.00 C ATOM 86 C LEU A 61 58.178 8.329 5.061 1.00 0.00 C ATOM 87 O LEU A 61 57.453 8.360 4.072 1.00 0.00 O ATOM 88 CB LEU A 61 60.171 9.815 5.148 1.00 0.00 C ATOM 89 CG LEU A 61 60.517 11.309 5.035 1.00 0.00 C ATOM 90 CD1 LEU A 61 59.710 11.963 3.917 1.00 0.00 C ATOM 91 CD2 LEU A 61 60.238 12.027 6.362 1.00 0.00 C ATOM 0 H LEU A 61 59.433 9.032 7.534 1.00 0.00 H new ATOM 0 HA LEU A 61 58.115 10.449 5.307 1.00 0.00 H new ATOM 0 HB2 LEU A 61 60.865 9.328 5.833 1.00 0.00 H new ATOM 0 HB3 LEU A 61 60.292 9.335 4.177 1.00 0.00 H new ATOM 0 HG LEU A 61 61.578 11.394 4.802 1.00 0.00 H new ATOM 0 HD11 LEU A 61 59.968 13.020 3.852 1.00 0.00 H new ATOM 0 HD12 LEU A 61 59.939 11.475 2.970 1.00 0.00 H new ATOM 0 HD13 LEU A 61 58.646 11.862 4.130 1.00 0.00 H new ATOM 0 HD21 LEU A 61 60.489 13.083 6.264 1.00 0.00 H new ATOM 0 HD22 LEU A 61 59.183 11.926 6.615 1.00 0.00 H new ATOM 0 HD23 LEU A 61 60.844 11.582 7.151 1.00 0.00 H new ATOM 103 N LEU A 62 58.526 7.201 5.682 1.00 0.00 N ATOM 104 CA LEU A 62 58.071 5.897 5.231 1.00 0.00 C ATOM 105 C LEU A 62 58.381 4.848 6.291 1.00 0.00 C ATOM 106 O LEU A 62 57.524 4.527 7.107 1.00 0.00 O ATOM 107 CB LEU A 62 58.755 5.542 3.907 1.00 0.00 C ATOM 108 CG LEU A 62 57.769 5.740 2.764 1.00 0.00 C ATOM 109 CD1 LEU A 62 58.505 6.307 1.551 1.00 0.00 C ATOM 110 CD2 LEU A 62 57.138 4.397 2.402 1.00 0.00 C ATOM 0 H LEU A 62 59.127 7.171 6.505 1.00 0.00 H new ATOM 0 HA LEU A 62 56.993 5.923 5.072 1.00 0.00 H new ATOM 0 HB2 LEU A 62 59.633 6.170 3.758 1.00 0.00 H new ATOM 0 HB3 LEU A 62 59.102 4.509 3.929 1.00 0.00 H new ATOM 0 HG LEU A 62 56.988 6.436 3.070 1.00 0.00 H new ATOM 0 HD11 LEU A 62 57.800 6.449 0.732 1.00 0.00 H new ATOM 0 HD12 LEU A 62 58.955 7.265 1.813 1.00 0.00 H new ATOM 0 HD13 LEU A 62 59.286 5.612 1.242 1.00 0.00 H new ATOM 0 HD21 LEU A 62 56.431 4.536 1.584 1.00 0.00 H new ATOM 0 HD22 LEU A 62 57.917 3.700 2.094 1.00 0.00 H new ATOM 0 HD23 LEU A 62 56.614 3.995 3.269 1.00 0.00 H new ATOM 122 N GLU A 63 59.619 4.344 6.267 1.00 0.00 N ATOM 123 CA GLU A 63 60.101 3.339 7.213 1.00 0.00 C ATOM 124 C GLU A 63 61.395 2.688 6.721 1.00 0.00 C ATOM 125 O GLU A 63 62.478 2.993 7.216 1.00 0.00 O ATOM 126 CB GLU A 63 59.059 2.259 7.422 1.00 0.00 C ATOM 127 CG GLU A 63 58.454 2.402 8.815 1.00 0.00 C ATOM 128 CD GLU A 63 58.109 1.025 9.379 1.00 0.00 C ATOM 129 OE1 GLU A 63 57.354 0.314 8.735 1.00 0.00 O ATOM 130 OE2 GLU A 63 58.603 0.703 10.447 1.00 0.00 O ATOM 0 H GLU A 63 60.320 4.627 5.582 1.00 0.00 H new ATOM 0 HA GLU A 63 60.296 3.851 8.156 1.00 0.00 H new ATOM 0 HB2 GLU A 63 58.279 2.339 6.665 1.00 0.00 H new ATOM 0 HB3 GLU A 63 59.512 1.274 7.310 1.00 0.00 H new ATOM 0 HG2 GLU A 63 59.157 2.909 9.476 1.00 0.00 H new ATOM 0 HG3 GLU A 63 57.558 3.020 8.769 1.00 0.00 H new ATOM 137 N HIS A 64 61.275 1.783 5.750 1.00 0.00 N ATOM 138 CA HIS A 64 62.441 1.094 5.212 1.00 0.00 C ATOM 139 C HIS A 64 62.827 1.679 3.865 1.00 0.00 C ATOM 140 O HIS A 64 62.059 2.412 3.240 1.00 0.00 O ATOM 141 CB HIS A 64 62.144 -0.400 5.060 1.00 0.00 C ATOM 142 CG HIS A 64 60.845 -0.592 4.348 1.00 0.00 C ATOM 143 ND1 HIS A 64 59.661 -0.699 5.043 1.00 0.00 N ATOM 144 CD2 HIS A 64 60.521 -0.706 3.020 1.00 0.00 C ATOM 145 CE1 HIS A 64 58.682 -0.873 4.151 1.00 0.00 C ATOM 146 NE2 HIS A 64 59.146 -0.886 2.898 1.00 0.00 N ATOM 0 H HIS A 64 60.388 1.513 5.324 1.00 0.00 H new ATOM 0 HA HIS A 64 63.272 1.226 5.905 1.00 0.00 H new ATOM 0 HB2 HIS A 64 62.947 -0.884 4.505 1.00 0.00 H new ATOM 0 HB3 HIS A 64 62.104 -0.873 6.041 1.00 0.00 H new ATOM 0 HD2 HIS A 64 61.222 -0.663 2.199 1.00 0.00 H new ATOM 0 HE1 HIS A 64 57.640 -0.989 4.411 1.00 0.00 H new ATOM 0 HE2 HIS A 64 58.609 -1.003 2.039 1.00 0.00 H new ATOM 154 N CYS A 65 64.026 1.349 3.433 1.00 0.00 N ATOM 155 CA CYS A 65 64.541 1.833 2.165 1.00 0.00 C ATOM 156 C CYS A 65 64.014 1.005 1.006 1.00 0.00 C ATOM 157 O CYS A 65 63.975 -0.206 1.082 1.00 0.00 O ATOM 158 CB CYS A 65 66.056 1.768 2.185 1.00 0.00 C ATOM 159 SG CYS A 65 66.684 2.128 0.529 1.00 0.00 S ATOM 0 H CYS A 65 64.668 0.743 3.944 1.00 0.00 H new ATOM 0 HA CYS A 65 64.209 2.862 2.027 1.00 0.00 H new ATOM 0 HB2 CYS A 65 66.454 2.486 2.902 1.00 0.00 H new ATOM 0 HB3 CYS A 65 66.386 0.780 2.506 1.00 0.00 H new ATOM 164 N GLY A 66 63.602 1.674 -0.059 1.00 0.00 N ATOM 165 CA GLY A 66 63.068 0.995 -1.242 1.00 0.00 C ATOM 166 C GLY A 66 64.125 0.151 -1.967 1.00 0.00 C ATOM 167 O GLY A 66 63.816 -0.906 -2.515 1.00 0.00 O ATOM 0 H GLY A 66 63.625 2.691 -0.134 1.00 0.00 H new ATOM 0 HA2 GLY A 66 62.238 0.354 -0.944 1.00 0.00 H new ATOM 0 HA3 GLY A 66 62.666 1.737 -1.932 1.00 0.00 H new ATOM 171 N VAL A 67 65.357 0.652 -2.007 1.00 0.00 N ATOM 172 CA VAL A 67 66.442 -0.023 -2.720 1.00 0.00 C ATOM 173 C VAL A 67 66.713 -1.435 -2.193 1.00 0.00 C ATOM 174 O VAL A 67 66.966 -2.352 -2.972 1.00 0.00 O ATOM 175 CB VAL A 67 67.717 0.801 -2.583 1.00 0.00 C ATOM 176 CG1 VAL A 67 68.896 0.029 -3.168 1.00 0.00 C ATOM 177 CG2 VAL A 67 67.557 2.133 -3.318 1.00 0.00 C ATOM 0 H VAL A 67 65.631 1.524 -1.554 1.00 0.00 H new ATOM 0 HA VAL A 67 66.134 -0.113 -3.762 1.00 0.00 H new ATOM 0 HB VAL A 67 67.903 0.996 -1.527 1.00 0.00 H new ATOM 0 HG11 VAL A 67 69.805 0.622 -3.068 1.00 0.00 H new ATOM 0 HG12 VAL A 67 69.016 -0.913 -2.632 1.00 0.00 H new ATOM 0 HG13 VAL A 67 68.710 -0.175 -4.223 1.00 0.00 H new ATOM 0 HG21 VAL A 67 68.472 2.717 -3.216 1.00 0.00 H new ATOM 0 HG22 VAL A 67 67.362 1.945 -4.374 1.00 0.00 H new ATOM 0 HG23 VAL A 67 66.723 2.688 -2.888 1.00 0.00 H new ATOM 187 N CYS A 68 66.683 -1.602 -0.876 1.00 0.00 N ATOM 188 CA CYS A 68 66.955 -2.909 -0.275 1.00 0.00 C ATOM 189 C CYS A 68 65.711 -3.473 0.402 1.00 0.00 C ATOM 190 O CYS A 68 65.633 -4.666 0.687 1.00 0.00 O ATOM 191 CB CYS A 68 68.087 -2.781 0.746 1.00 0.00 C ATOM 192 SG CYS A 68 67.793 -1.333 1.795 1.00 0.00 S ATOM 0 H CYS A 68 66.476 -0.860 -0.207 1.00 0.00 H new ATOM 0 HA CYS A 68 67.251 -3.595 -1.068 1.00 0.00 H new ATOM 0 HB2 CYS A 68 68.143 -3.681 1.358 1.00 0.00 H new ATOM 0 HB3 CYS A 68 69.044 -2.684 0.234 1.00 0.00 H new ATOM 197 N ARG A 69 64.736 -2.609 0.636 1.00 0.00 N ATOM 198 CA ARG A 69 63.486 -3.012 1.261 1.00 0.00 C ATOM 199 C ARG A 69 63.741 -3.522 2.672 1.00 0.00 C ATOM 200 O ARG A 69 63.112 -4.478 3.128 1.00 0.00 O ATOM 201 CB ARG A 69 62.812 -4.093 0.413 1.00 0.00 C ATOM 202 CG ARG A 69 62.843 -3.691 -1.072 1.00 0.00 C ATOM 203 CD ARG A 69 61.423 -3.457 -1.569 1.00 0.00 C ATOM 204 NE ARG A 69 61.360 -3.611 -3.020 1.00 0.00 N ATOM 205 CZ ARG A 69 60.250 -3.333 -3.708 1.00 0.00 C ATOM 206 NH1 ARG A 69 59.172 -2.906 -3.102 1.00 0.00 N ATOM 207 NH2 ARG A 69 60.239 -3.493 -5.003 1.00 0.00 N ATOM 0 H ARG A 69 64.787 -1.618 0.401 1.00 0.00 H new ATOM 0 HA ARG A 69 62.824 -2.149 1.325 1.00 0.00 H new ATOM 0 HB2 ARG A 69 63.322 -5.046 0.551 1.00 0.00 H new ATOM 0 HB3 ARG A 69 61.781 -4.233 0.739 1.00 0.00 H new ATOM 0 HG2 ARG A 69 63.438 -2.787 -1.202 1.00 0.00 H new ATOM 0 HG3 ARG A 69 63.321 -4.474 -1.661 1.00 0.00 H new ATOM 0 HD2 ARG A 69 60.743 -4.163 -1.092 1.00 0.00 H new ATOM 0 HD3 ARG A 69 61.093 -2.457 -1.288 1.00 0.00 H new ATOM 0 HE ARG A 69 62.186 -3.940 -3.521 1.00 0.00 H new ATOM 0 HH11 ARG A 69 59.172 -2.781 -2.090 1.00 0.00 H new ATOM 0 HH12 ARG A 69 58.332 -2.698 -3.642 1.00 0.00 H new ATOM 0 HH21 ARG A 69 61.074 -3.828 -5.483 1.00 0.00 H new ATOM 0 HH22 ARG A 69 59.395 -3.283 -5.536 1.00 0.00 H new ATOM 221 N GLU A 70 64.660 -2.855 3.359 1.00 0.00 N ATOM 222 CA GLU A 70 64.996 -3.213 4.727 1.00 0.00 C ATOM 223 C GLU A 70 64.916 -1.992 5.619 1.00 0.00 C ATOM 224 O GLU A 70 65.215 -0.872 5.202 1.00 0.00 O ATOM 225 CB GLU A 70 66.394 -3.821 4.792 1.00 0.00 C ATOM 226 CG GLU A 70 66.429 -5.075 3.923 1.00 0.00 C ATOM 227 CD GLU A 70 65.497 -6.135 4.502 1.00 0.00 C ATOM 228 OE1 GLU A 70 65.191 -6.047 5.679 1.00 0.00 O ATOM 229 OE2 GLU A 70 65.108 -7.022 3.760 1.00 0.00 O ATOM 0 H GLU A 70 65.185 -2.063 2.989 1.00 0.00 H new ATOM 0 HA GLU A 70 64.279 -3.955 5.078 1.00 0.00 H new ATOM 0 HB2 GLU A 70 67.135 -3.101 4.444 1.00 0.00 H new ATOM 0 HB3 GLU A 70 66.650 -4.069 5.822 1.00 0.00 H new ATOM 0 HG2 GLU A 70 66.127 -4.831 2.904 1.00 0.00 H new ATOM 0 HG3 GLU A 70 67.446 -5.463 3.870 1.00 0.00 H new ATOM 236 N ARG A 71 64.493 -2.219 6.846 1.00 0.00 N ATOM 237 CA ARG A 71 64.351 -1.145 7.805 1.00 0.00 C ATOM 238 C ARG A 71 65.633 -0.334 7.883 1.00 0.00 C ATOM 239 O ARG A 71 66.716 -0.833 7.582 1.00 0.00 O ATOM 240 CB ARG A 71 64.006 -1.728 9.163 1.00 0.00 C ATOM 241 CG ARG A 71 63.119 -0.745 9.919 1.00 0.00 C ATOM 242 CD ARG A 71 63.153 -1.087 11.400 1.00 0.00 C ATOM 243 NE ARG A 71 62.665 -2.445 11.623 1.00 0.00 N ATOM 244 CZ ARG A 71 62.728 -3.026 12.823 1.00 0.00 C ATOM 245 NH1 ARG A 71 63.239 -2.392 13.848 1.00 0.00 N ATOM 246 NH2 ARG A 71 62.272 -4.238 12.978 1.00 0.00 N ATOM 0 H ARG A 71 64.241 -3.141 7.202 1.00 0.00 H new ATOM 0 HA ARG A 71 63.548 -0.480 7.487 1.00 0.00 H new ATOM 0 HB2 ARG A 71 63.492 -2.682 9.043 1.00 0.00 H new ATOM 0 HB3 ARG A 71 64.916 -1.925 9.729 1.00 0.00 H new ATOM 0 HG2 ARG A 71 63.467 0.276 9.760 1.00 0.00 H new ATOM 0 HG3 ARG A 71 62.097 -0.795 9.544 1.00 0.00 H new ATOM 0 HD2 ARG A 71 64.171 -0.994 11.777 1.00 0.00 H new ATOM 0 HD3 ARG A 71 62.540 -0.378 11.957 1.00 0.00 H new ATOM 0 HE ARG A 71 62.265 -2.964 10.841 1.00 0.00 H new ATOM 0 HH11 ARG A 71 63.595 -1.443 13.735 1.00 0.00 H new ATOM 0 HH12 ARG A 71 63.281 -2.847 14.760 1.00 0.00 H new ATOM 0 HH21 ARG A 71 61.870 -4.737 12.184 1.00 0.00 H new ATOM 0 HH22 ARG A 71 62.318 -4.687 13.893 1.00 0.00 H new ATOM 260 N LEU A 72 65.493 0.925 8.267 1.00 0.00 N ATOM 261 CA LEU A 72 66.638 1.815 8.358 1.00 0.00 C ATOM 262 C LEU A 72 67.370 1.623 9.678 1.00 0.00 C ATOM 263 O LEU A 72 66.939 2.118 10.713 1.00 0.00 O ATOM 264 CB LEU A 72 66.162 3.263 8.224 1.00 0.00 C ATOM 265 CG LEU A 72 65.505 3.464 6.849 1.00 0.00 C ATOM 266 CD1 LEU A 72 64.841 4.852 6.781 1.00 0.00 C ATOM 267 CD2 LEU A 72 66.572 3.341 5.749 1.00 0.00 C ATOM 0 H LEU A 72 64.602 1.352 8.520 1.00 0.00 H new ATOM 0 HA LEU A 72 67.333 1.581 7.551 1.00 0.00 H new ATOM 0 HB2 LEU A 72 65.451 3.498 9.016 1.00 0.00 H new ATOM 0 HB3 LEU A 72 67.004 3.946 8.339 1.00 0.00 H new ATOM 0 HG LEU A 72 64.742 2.700 6.700 1.00 0.00 H new ATOM 0 HD11 LEU A 72 64.378 4.986 5.803 1.00 0.00 H new ATOM 0 HD12 LEU A 72 64.080 4.929 7.557 1.00 0.00 H new ATOM 0 HD13 LEU A 72 65.595 5.624 6.934 1.00 0.00 H new ATOM 0 HD21 LEU A 72 66.107 3.483 4.774 1.00 0.00 H new ATOM 0 HD22 LEU A 72 67.339 4.101 5.900 1.00 0.00 H new ATOM 0 HD23 LEU A 72 67.027 2.352 5.793 1.00 0.00 H new ATOM 279 N ARG A 73 68.496 0.911 9.616 1.00 0.00 N ATOM 280 CA ARG A 73 69.316 0.658 10.801 1.00 0.00 C ATOM 281 C ARG A 73 69.922 1.958 11.306 1.00 0.00 C ATOM 282 O ARG A 73 69.969 2.948 10.577 1.00 0.00 O ATOM 283 CB ARG A 73 70.447 -0.323 10.486 1.00 0.00 C ATOM 284 CG ARG A 73 69.921 -1.756 10.491 1.00 0.00 C ATOM 285 CD ARG A 73 69.201 -2.050 9.177 1.00 0.00 C ATOM 286 NE ARG A 73 68.828 -3.460 9.118 1.00 0.00 N ATOM 287 CZ ARG A 73 69.719 -4.408 8.820 1.00 0.00 C ATOM 288 NH1 ARG A 73 70.965 -4.101 8.571 1.00 0.00 N ATOM 289 NH2 ARG A 73 69.346 -5.658 8.783 1.00 0.00 N ATOM 0 H ARG A 73 68.861 0.499 8.757 1.00 0.00 H new ATOM 0 HA ARG A 73 68.670 0.226 11.566 1.00 0.00 H new ATOM 0 HB2 ARG A 73 70.879 -0.090 9.513 1.00 0.00 H new ATOM 0 HB3 ARG A 73 71.244 -0.218 11.222 1.00 0.00 H new ATOM 0 HG2 ARG A 73 70.746 -2.455 10.628 1.00 0.00 H new ATOM 0 HG3 ARG A 73 69.239 -1.899 11.329 1.00 0.00 H new ATOM 0 HD2 ARG A 73 68.311 -1.426 9.093 1.00 0.00 H new ATOM 0 HD3 ARG A 73 69.847 -1.800 8.335 1.00 0.00 H new ATOM 0 HE ARG A 73 67.862 -3.727 9.309 1.00 0.00 H new ATOM 0 HH11 ARG A 73 71.267 -3.127 8.603 1.00 0.00 H new ATOM 0 HH12 ARG A 73 71.636 -4.835 8.345 1.00 0.00 H new ATOM 0 HH21 ARG A 73 68.377 -5.907 8.981 1.00 0.00 H new ATOM 0 HH22 ARG A 73 70.023 -6.386 8.556 1.00 0.00 H new ATOM 303 N PRO A 74 70.380 1.986 12.532 1.00 0.00 N ATOM 304 CA PRO A 74 70.980 3.216 13.121 1.00 0.00 C ATOM 305 C PRO A 74 72.171 3.693 12.297 1.00 0.00 C ATOM 306 O PRO A 74 72.357 4.891 12.087 1.00 0.00 O ATOM 307 CB PRO A 74 71.412 2.782 14.524 1.00 0.00 C ATOM 308 CG PRO A 74 70.611 1.565 14.823 1.00 0.00 C ATOM 309 CD PRO A 74 70.399 0.865 13.486 1.00 0.00 C ATOM 0 HA PRO A 74 70.284 4.055 13.141 1.00 0.00 H new ATOM 0 HB2 PRO A 74 72.480 2.568 14.558 1.00 0.00 H new ATOM 0 HB3 PRO A 74 71.221 3.568 15.255 1.00 0.00 H new ATOM 0 HG2 PRO A 74 71.134 0.916 15.525 1.00 0.00 H new ATOM 0 HG3 PRO A 74 69.658 1.828 15.282 1.00 0.00 H new ATOM 0 HD2 PRO A 74 71.201 0.160 13.266 1.00 0.00 H new ATOM 0 HD3 PRO A 74 69.466 0.302 13.467 1.00 0.00 H new ATOM 317 N GLU A 75 72.961 2.735 11.822 1.00 0.00 N ATOM 318 CA GLU A 75 74.125 3.044 10.999 1.00 0.00 C ATOM 319 C GLU A 75 73.768 3.075 9.511 1.00 0.00 C ATOM 320 O GLU A 75 74.638 3.293 8.666 1.00 0.00 O ATOM 321 CB GLU A 75 75.238 2.026 11.235 1.00 0.00 C ATOM 322 CG GLU A 75 74.689 0.624 11.011 1.00 0.00 C ATOM 323 CD GLU A 75 75.834 -0.381 10.929 1.00 0.00 C ATOM 324 OE1 GLU A 75 76.976 0.045 10.988 1.00 0.00 O ATOM 325 OE2 GLU A 75 75.552 -1.562 10.809 1.00 0.00 O ATOM 0 H GLU A 75 72.817 1.740 11.993 1.00 0.00 H new ATOM 0 HA GLU A 75 74.474 4.034 11.291 1.00 0.00 H new ATOM 0 HB2 GLU A 75 76.071 2.216 10.558 1.00 0.00 H new ATOM 0 HB3 GLU A 75 75.625 2.120 12.250 1.00 0.00 H new ATOM 0 HG2 GLU A 75 74.016 0.354 11.825 1.00 0.00 H new ATOM 0 HG3 GLU A 75 74.104 0.597 10.091 1.00 0.00 H new ATOM 332 N ARG A 76 72.496 2.843 9.187 1.00 0.00 N ATOM 333 CA ARG A 76 72.062 2.837 7.791 1.00 0.00 C ATOM 334 C ARG A 76 72.172 4.232 7.184 1.00 0.00 C ATOM 335 O ARG A 76 72.278 4.391 5.962 1.00 0.00 O ATOM 336 CB ARG A 76 70.605 2.383 7.733 1.00 0.00 C ATOM 337 CG ARG A 76 70.246 1.786 6.371 1.00 0.00 C ATOM 338 CD ARG A 76 71.075 0.526 6.139 1.00 0.00 C ATOM 339 NE ARG A 76 70.463 -0.335 5.134 1.00 0.00 N ATOM 340 CZ ARG A 76 71.138 -1.339 4.569 1.00 0.00 C ATOM 341 NH1 ARG A 76 72.380 -1.587 4.906 1.00 0.00 N ATOM 342 NH2 ARG A 76 70.555 -2.084 3.673 1.00 0.00 N ATOM 0 H ARG A 76 71.756 2.659 9.864 1.00 0.00 H new ATOM 0 HA ARG A 76 72.700 2.159 7.225 1.00 0.00 H new ATOM 0 HB2 ARG A 76 70.424 1.643 8.513 1.00 0.00 H new ATOM 0 HB3 ARG A 76 69.952 3.231 7.941 1.00 0.00 H new ATOM 0 HG2 ARG A 76 69.183 1.548 6.334 1.00 0.00 H new ATOM 0 HG3 ARG A 76 70.438 2.512 5.581 1.00 0.00 H new ATOM 0 HD2 ARG A 76 72.080 0.803 5.820 1.00 0.00 H new ATOM 0 HD3 ARG A 76 71.178 -0.022 7.076 1.00 0.00 H new ATOM 0 HE ARG A 76 69.496 -0.166 4.856 1.00 0.00 H new ATOM 0 HH11 ARG A 76 72.843 -1.010 5.608 1.00 0.00 H new ATOM 0 HH12 ARG A 76 72.884 -2.357 4.466 1.00 0.00 H new ATOM 0 HH21 ARG A 76 69.588 -1.899 3.407 1.00 0.00 H new ATOM 0 HH22 ARG A 76 71.066 -2.852 3.238 1.00 0.00 H new ATOM 356 N GLU A 77 72.141 5.243 8.043 1.00 0.00 N ATOM 357 CA GLU A 77 72.235 6.615 7.582 1.00 0.00 C ATOM 358 C GLU A 77 71.232 6.870 6.467 1.00 0.00 C ATOM 359 O GLU A 77 71.595 6.950 5.294 1.00 0.00 O ATOM 360 CB GLU A 77 73.648 6.901 7.086 1.00 0.00 C ATOM 361 CG GLU A 77 73.801 8.402 6.843 1.00 0.00 C ATOM 362 CD GLU A 77 75.237 8.727 6.444 1.00 0.00 C ATOM 363 OE1 GLU A 77 76.044 7.812 6.411 1.00 0.00 O ATOM 364 OE2 GLU A 77 75.508 9.885 6.175 1.00 0.00 O ATOM 0 H GLU A 77 72.052 5.137 9.054 1.00 0.00 H new ATOM 0 HA GLU A 77 72.007 7.280 8.415 1.00 0.00 H new ATOM 0 HB2 GLU A 77 74.379 6.563 7.820 1.00 0.00 H new ATOM 0 HB3 GLU A 77 73.842 6.350 6.166 1.00 0.00 H new ATOM 0 HG2 GLU A 77 73.116 8.722 6.058 1.00 0.00 H new ATOM 0 HG3 GLU A 77 73.533 8.953 7.744 1.00 0.00 H new ATOM 371 N PRO A 78 69.986 6.981 6.817 1.00 0.00 N ATOM 372 CA PRO A 78 68.888 7.219 5.842 1.00 0.00 C ATOM 373 C PRO A 78 68.928 8.618 5.262 1.00 0.00 C ATOM 374 O PRO A 78 69.436 9.555 5.879 1.00 0.00 O ATOM 375 CB PRO A 78 67.626 6.995 6.669 1.00 0.00 C ATOM 376 CG PRO A 78 68.028 7.338 8.062 1.00 0.00 C ATOM 377 CD PRO A 78 69.476 6.895 8.196 1.00 0.00 C ATOM 0 HA PRO A 78 68.955 6.562 4.974 1.00 0.00 H new ATOM 0 HB2 PRO A 78 66.808 7.628 6.325 1.00 0.00 H new ATOM 0 HB3 PRO A 78 67.282 5.963 6.598 1.00 0.00 H new ATOM 0 HG2 PRO A 78 67.928 8.408 8.246 1.00 0.00 H new ATOM 0 HG3 PRO A 78 67.394 6.829 8.788 1.00 0.00 H new ATOM 0 HD2 PRO A 78 70.034 7.543 8.872 1.00 0.00 H new ATOM 0 HD3 PRO A 78 69.552 5.882 8.590 1.00 0.00 H new ATOM 385 N ARG A 79 68.405 8.736 4.060 1.00 0.00 N ATOM 386 CA ARG A 79 68.390 10.004 3.363 1.00 0.00 C ATOM 387 C ARG A 79 67.162 10.146 2.487 1.00 0.00 C ATOM 388 O ARG A 79 66.621 9.158 2.023 1.00 0.00 O ATOM 389 CB ARG A 79 69.630 10.109 2.506 1.00 0.00 C ATOM 390 CG ARG A 79 70.776 10.660 3.350 1.00 0.00 C ATOM 391 CD ARG A 79 71.884 11.168 2.437 1.00 0.00 C ATOM 392 NE ARG A 79 72.904 11.860 3.218 1.00 0.00 N ATOM 393 CZ ARG A 79 73.891 11.206 3.833 1.00 0.00 C ATOM 394 NH1 ARG A 79 73.977 9.904 3.767 1.00 0.00 N ATOM 395 NH2 ARG A 79 74.781 11.875 4.513 1.00 0.00 N ATOM 0 H ARG A 79 67.983 7.965 3.543 1.00 0.00 H new ATOM 0 HA ARG A 79 68.367 10.802 4.105 1.00 0.00 H new ATOM 0 HB2 ARG A 79 69.895 9.130 2.106 1.00 0.00 H new ATOM 0 HB3 ARG A 79 69.443 10.762 1.653 1.00 0.00 H new ATOM 0 HG2 ARG A 79 70.416 11.468 3.987 1.00 0.00 H new ATOM 0 HG3 ARG A 79 71.162 9.883 4.009 1.00 0.00 H new ATOM 0 HD2 ARG A 79 72.332 10.333 1.898 1.00 0.00 H new ATOM 0 HD3 ARG A 79 71.468 11.843 1.689 1.00 0.00 H new ATOM 0 HE ARG A 79 72.861 12.876 3.296 1.00 0.00 H new ATOM 0 HH11 ARG A 79 73.284 9.373 3.240 1.00 0.00 H new ATOM 0 HH12 ARG A 79 74.738 9.418 4.243 1.00 0.00 H new ATOM 0 HH21 ARG A 79 74.720 12.891 4.572 1.00 0.00 H new ATOM 0 HH22 ARG A 79 75.538 11.382 4.986 1.00 0.00 H new ATOM 409 N LEU A 80 66.732 11.381 2.257 1.00 0.00 N ATOM 410 CA LEU A 80 65.553 11.624 1.428 1.00 0.00 C ATOM 411 C LEU A 80 65.937 12.240 0.083 1.00 0.00 C ATOM 412 O LEU A 80 66.648 13.243 0.028 1.00 0.00 O ATOM 413 CB LEU A 80 64.590 12.563 2.155 1.00 0.00 C ATOM 414 CG LEU A 80 63.262 12.616 1.408 1.00 0.00 C ATOM 415 CD1 LEU A 80 62.452 11.378 1.762 1.00 0.00 C ATOM 416 CD2 LEU A 80 62.492 13.874 1.819 1.00 0.00 C ATOM 0 H LEU A 80 67.175 12.222 2.627 1.00 0.00 H new ATOM 0 HA LEU A 80 65.070 10.664 1.245 1.00 0.00 H new ATOM 0 HB2 LEU A 80 64.430 12.217 3.176 1.00 0.00 H new ATOM 0 HB3 LEU A 80 65.021 13.562 2.221 1.00 0.00 H new ATOM 0 HG LEU A 80 63.440 12.645 0.333 1.00 0.00 H new ATOM 0 HD11 LEU A 80 61.499 11.404 1.234 1.00 0.00 H new ATOM 0 HD12 LEU A 80 63.005 10.485 1.470 1.00 0.00 H new ATOM 0 HD13 LEU A 80 62.271 11.357 2.837 1.00 0.00 H new ATOM 0 HD21 LEU A 80 61.543 13.911 1.284 1.00 0.00 H new ATOM 0 HD22 LEU A 80 62.303 13.851 2.892 1.00 0.00 H new ATOM 0 HD23 LEU A 80 63.081 14.758 1.573 1.00 0.00 H new ATOM 428 N LEU A 81 65.451 11.635 -1.001 1.00 0.00 N ATOM 429 CA LEU A 81 65.737 12.131 -2.342 1.00 0.00 C ATOM 430 C LEU A 81 64.777 13.255 -2.735 1.00 0.00 C ATOM 431 O LEU A 81 63.740 13.452 -2.103 1.00 0.00 O ATOM 432 CB LEU A 81 65.606 11.001 -3.364 1.00 0.00 C ATOM 433 CG LEU A 81 66.987 10.587 -3.870 1.00 0.00 C ATOM 434 CD1 LEU A 81 67.822 10.039 -2.711 1.00 0.00 C ATOM 435 CD2 LEU A 81 66.820 9.507 -4.939 1.00 0.00 C ATOM 0 H LEU A 81 64.860 10.804 -0.975 1.00 0.00 H new ATOM 0 HA LEU A 81 66.756 12.517 -2.336 1.00 0.00 H new ATOM 0 HB2 LEU A 81 65.105 10.146 -2.910 1.00 0.00 H new ATOM 0 HB3 LEU A 81 64.986 11.326 -4.200 1.00 0.00 H new ATOM 0 HG LEU A 81 67.496 11.452 -4.294 1.00 0.00 H new ATOM 0 HD11 LEU A 81 68.805 9.745 -3.078 1.00 0.00 H new ATOM 0 HD12 LEU A 81 67.934 10.809 -1.948 1.00 0.00 H new ATOM 0 HD13 LEU A 81 67.322 9.172 -2.280 1.00 0.00 H new ATOM 0 HD21 LEU A 81 67.800 9.204 -5.307 1.00 0.00 H new ATOM 0 HD22 LEU A 81 66.312 8.644 -4.508 1.00 0.00 H new ATOM 0 HD23 LEU A 81 66.228 9.901 -5.765 1.00 0.00 H new ATOM 447 N PRO A 82 65.103 13.974 -3.777 1.00 0.00 N ATOM 448 CA PRO A 82 64.257 15.092 -4.295 1.00 0.00 C ATOM 449 C PRO A 82 62.886 14.610 -4.765 1.00 0.00 C ATOM 450 O PRO A 82 61.963 15.408 -4.934 1.00 0.00 O ATOM 451 CB PRO A 82 65.046 15.648 -5.482 1.00 0.00 C ATOM 452 CG PRO A 82 66.429 15.107 -5.355 1.00 0.00 C ATOM 453 CD PRO A 82 66.315 13.796 -4.585 1.00 0.00 C ATOM 0 HA PRO A 82 64.063 15.831 -3.517 1.00 0.00 H new ATOM 0 HB2 PRO A 82 64.594 15.343 -6.426 1.00 0.00 H new ATOM 0 HB3 PRO A 82 65.052 16.738 -5.469 1.00 0.00 H new ATOM 0 HG2 PRO A 82 66.872 14.942 -6.337 1.00 0.00 H new ATOM 0 HG3 PRO A 82 67.074 15.811 -4.828 1.00 0.00 H new ATOM 0 HD2 PRO A 82 66.227 12.943 -5.257 1.00 0.00 H new ATOM 0 HD3 PRO A 82 67.191 13.620 -3.960 1.00 0.00 H new ATOM 461 N CYS A 83 62.759 13.302 -4.978 1.00 0.00 N ATOM 462 CA CYS A 83 61.501 12.726 -5.428 1.00 0.00 C ATOM 463 C CYS A 83 60.624 12.370 -4.236 1.00 0.00 C ATOM 464 O CYS A 83 59.503 11.886 -4.403 1.00 0.00 O ATOM 465 CB CYS A 83 61.763 11.484 -6.284 1.00 0.00 C ATOM 466 SG CYS A 83 62.819 10.332 -5.374 1.00 0.00 S ATOM 0 H CYS A 83 63.511 12.626 -4.846 1.00 0.00 H new ATOM 0 HA CYS A 83 60.978 13.465 -6.035 1.00 0.00 H new ATOM 0 HB2 CYS A 83 60.820 11.002 -6.542 1.00 0.00 H new ATOM 0 HB3 CYS A 83 62.242 11.770 -7.221 1.00 0.00 H new ATOM 471 N LEU A 84 61.155 12.623 -3.036 1.00 0.00 N ATOM 472 CA LEU A 84 60.447 12.356 -1.793 1.00 0.00 C ATOM 473 C LEU A 84 60.448 10.878 -1.462 1.00 0.00 C ATOM 474 O LEU A 84 59.419 10.294 -1.127 1.00 0.00 O ATOM 475 CB LEU A 84 59.009 12.887 -1.857 1.00 0.00 C ATOM 476 CG LEU A 84 58.598 13.474 -0.505 1.00 0.00 C ATOM 477 CD1 LEU A 84 57.187 14.059 -0.619 1.00 0.00 C ATOM 478 CD2 LEU A 84 58.606 12.367 0.552 1.00 0.00 C ATOM 0 H LEU A 84 62.086 13.018 -2.905 1.00 0.00 H new ATOM 0 HA LEU A 84 60.976 12.880 -0.997 1.00 0.00 H new ATOM 0 HB2 LEU A 84 58.930 13.650 -2.631 1.00 0.00 H new ATOM 0 HB3 LEU A 84 58.329 12.081 -2.133 1.00 0.00 H new ATOM 0 HG LEU A 84 59.298 14.258 -0.216 1.00 0.00 H new ATOM 0 HD11 LEU A 84 56.888 14.479 0.342 1.00 0.00 H new ATOM 0 HD12 LEU A 84 57.178 14.843 -1.376 1.00 0.00 H new ATOM 0 HD13 LEU A 84 56.489 13.272 -0.904 1.00 0.00 H new ATOM 0 HD21 LEU A 84 58.314 12.783 1.516 1.00 0.00 H new ATOM 0 HD22 LEU A 84 57.903 11.585 0.265 1.00 0.00 H new ATOM 0 HD23 LEU A 84 59.608 11.944 0.628 1.00 0.00 H new ATOM 490 N HIS A 85 61.622 10.289 -1.527 1.00 0.00 N ATOM 491 CA HIS A 85 61.771 8.891 -1.198 1.00 0.00 C ATOM 492 C HIS A 85 62.971 8.707 -0.297 1.00 0.00 C ATOM 493 O HIS A 85 64.084 9.110 -0.632 1.00 0.00 O ATOM 494 CB HIS A 85 61.941 8.072 -2.466 1.00 0.00 C ATOM 495 CG HIS A 85 60.688 8.178 -3.295 1.00 0.00 C ATOM 496 ND1 HIS A 85 60.717 8.319 -4.671 1.00 0.00 N ATOM 497 CD2 HIS A 85 59.358 8.166 -2.950 1.00 0.00 C ATOM 498 CE1 HIS A 85 59.444 8.390 -5.101 1.00 0.00 C ATOM 499 NE2 HIS A 85 58.575 8.302 -4.091 1.00 0.00 N ATOM 0 H HIS A 85 62.485 10.757 -1.804 1.00 0.00 H new ATOM 0 HA HIS A 85 60.876 8.548 -0.678 1.00 0.00 H new ATOM 0 HB2 HIS A 85 62.799 8.432 -3.034 1.00 0.00 H new ATOM 0 HB3 HIS A 85 62.139 7.030 -2.216 1.00 0.00 H new ATOM 0 HD2 HIS A 85 58.978 8.066 -1.944 1.00 0.00 H new ATOM 0 HE1 HIS A 85 59.160 8.504 -6.137 1.00 0.00 H new ATOM 0 HE2 HIS A 85 57.557 8.329 -4.145 1.00 0.00 H new ATOM 507 N SER A 86 62.738 8.110 0.850 1.00 0.00 N ATOM 508 CA SER A 86 63.816 7.891 1.798 1.00 0.00 C ATOM 509 C SER A 86 64.538 6.584 1.486 1.00 0.00 C ATOM 510 O SER A 86 63.911 5.585 1.133 1.00 0.00 O ATOM 511 CB SER A 86 63.275 7.833 3.219 1.00 0.00 C ATOM 512 OG SER A 86 62.566 9.031 3.507 1.00 0.00 O ATOM 0 H SER A 86 61.825 7.770 1.150 1.00 0.00 H new ATOM 0 HA SER A 86 64.515 8.723 1.712 1.00 0.00 H new ATOM 0 HB2 SER A 86 62.617 6.972 3.334 1.00 0.00 H new ATOM 0 HB3 SER A 86 64.094 7.704 3.926 1.00 0.00 H new ATOM 0 HG SER A 86 62.760 9.314 4.425 1.00 0.00 H new ATOM 518 N ALA A 87 65.858 6.603 1.616 1.00 0.00 N ATOM 519 CA ALA A 87 66.661 5.416 1.343 1.00 0.00 C ATOM 520 C ALA A 87 67.992 5.474 2.091 1.00 0.00 C ATOM 521 O ALA A 87 68.400 6.526 2.570 1.00 0.00 O ATOM 522 CB ALA A 87 66.915 5.293 -0.158 1.00 0.00 C ATOM 0 H ALA A 87 66.394 7.421 1.907 1.00 0.00 H new ATOM 0 HA ALA A 87 66.109 4.542 1.690 1.00 0.00 H new ATOM 0 HB1 ALA A 87 67.515 4.404 -0.354 1.00 0.00 H new ATOM 0 HB2 ALA A 87 65.963 5.211 -0.683 1.00 0.00 H new ATOM 0 HB3 ALA A 87 67.448 6.176 -0.510 1.00 0.00 H new ATOM 528 N CYS A 88 68.657 4.330 2.194 1.00 0.00 N ATOM 529 CA CYS A 88 69.933 4.256 2.894 1.00 0.00 C ATOM 530 C CYS A 88 70.985 5.080 2.160 1.00 0.00 C ATOM 531 O CYS A 88 70.926 5.218 0.939 1.00 0.00 O ATOM 532 CB CYS A 88 70.398 2.798 2.958 1.00 0.00 C ATOM 533 SG CYS A 88 69.005 1.736 3.406 1.00 0.00 S ATOM 0 H CYS A 88 68.336 3.444 1.803 1.00 0.00 H new ATOM 0 HA CYS A 88 69.804 4.651 3.902 1.00 0.00 H new ATOM 0 HB2 CYS A 88 70.805 2.493 1.994 1.00 0.00 H new ATOM 0 HB3 CYS A 88 71.199 2.693 3.690 1.00 0.00 H new ATOM 538 N SER A 89 71.951 5.626 2.897 1.00 0.00 N ATOM 539 CA SER A 89 72.995 6.419 2.262 1.00 0.00 C ATOM 540 C SER A 89 73.752 5.562 1.250 1.00 0.00 C ATOM 541 O SER A 89 73.995 5.969 0.109 1.00 0.00 O ATOM 542 CB SER A 89 73.968 6.930 3.322 1.00 0.00 C ATOM 543 OG SER A 89 74.990 7.696 2.695 1.00 0.00 O ATOM 0 H SER A 89 72.031 5.536 3.910 1.00 0.00 H new ATOM 0 HA SER A 89 72.538 7.265 1.749 1.00 0.00 H new ATOM 0 HB2 SER A 89 73.438 7.540 4.054 1.00 0.00 H new ATOM 0 HB3 SER A 89 74.407 6.092 3.863 1.00 0.00 H new ATOM 0 HG SER A 89 74.598 8.245 1.984 1.00 0.00 H new ATOM 549 N ALA A 90 74.105 4.363 1.685 1.00 0.00 N ATOM 550 CA ALA A 90 74.819 3.417 0.840 1.00 0.00 C ATOM 551 C ALA A 90 73.966 3.033 -0.358 1.00 0.00 C ATOM 552 O ALA A 90 74.467 2.919 -1.472 1.00 0.00 O ATOM 553 CB ALA A 90 75.180 2.164 1.639 1.00 0.00 C ATOM 0 H ALA A 90 73.907 4.019 2.625 1.00 0.00 H new ATOM 0 HA ALA A 90 75.735 3.891 0.487 1.00 0.00 H new ATOM 0 HB1 ALA A 90 75.714 1.464 0.996 1.00 0.00 H new ATOM 0 HB2 ALA A 90 75.815 2.440 2.481 1.00 0.00 H new ATOM 0 HB3 ALA A 90 74.269 1.694 2.010 1.00 0.00 H new ATOM 559 N CYS A 91 72.669 2.845 -0.122 1.00 0.00 N ATOM 560 CA CYS A 91 71.754 2.491 -1.193 1.00 0.00 C ATOM 561 C CYS A 91 71.572 3.679 -2.127 1.00 0.00 C ATOM 562 O CYS A 91 71.272 3.518 -3.311 1.00 0.00 O ATOM 563 CB CYS A 91 70.407 2.055 -0.621 1.00 0.00 C ATOM 564 SG CYS A 91 70.616 0.464 0.214 1.00 0.00 S ATOM 0 H CYS A 91 72.235 2.932 0.797 1.00 0.00 H new ATOM 0 HA CYS A 91 72.174 1.657 -1.756 1.00 0.00 H new ATOM 0 HB2 CYS A 91 70.034 2.803 0.079 1.00 0.00 H new ATOM 0 HB3 CYS A 91 69.669 1.969 -1.418 1.00 0.00 H new ATOM 569 N LEU A 92 71.757 4.872 -1.579 1.00 0.00 N ATOM 570 CA LEU A 92 71.624 6.095 -2.345 1.00 0.00 C ATOM 571 C LEU A 92 72.719 6.219 -3.408 1.00 0.00 C ATOM 572 O LEU A 92 72.467 6.699 -4.513 1.00 0.00 O ATOM 573 CB LEU A 92 71.704 7.272 -1.383 1.00 0.00 C ATOM 574 CG LEU A 92 70.361 7.999 -1.356 1.00 0.00 C ATOM 575 CD1 LEU A 92 69.425 7.305 -0.367 1.00 0.00 C ATOM 576 CD2 LEU A 92 70.577 9.446 -0.928 1.00 0.00 C ATOM 0 H LEU A 92 72.001 5.015 -0.599 1.00 0.00 H new ATOM 0 HA LEU A 92 70.666 6.084 -2.865 1.00 0.00 H new ATOM 0 HB2 LEU A 92 71.960 6.922 -0.383 1.00 0.00 H new ATOM 0 HB3 LEU A 92 72.494 7.956 -1.693 1.00 0.00 H new ATOM 0 HG LEU A 92 69.915 7.978 -2.350 1.00 0.00 H new ATOM 0 HD11 LEU A 92 68.467 7.824 -0.348 1.00 0.00 H new ATOM 0 HD12 LEU A 92 69.272 6.271 -0.676 1.00 0.00 H new ATOM 0 HD13 LEU A 92 69.868 7.325 0.629 1.00 0.00 H new ATOM 0 HD21 LEU A 92 69.619 9.966 -0.908 1.00 0.00 H new ATOM 0 HD22 LEU A 92 71.023 9.469 0.066 1.00 0.00 H new ATOM 0 HD23 LEU A 92 71.243 9.939 -1.636 1.00 0.00 H new ATOM 588 N GLY A 93 73.934 5.800 -3.067 1.00 0.00 N ATOM 589 CA GLY A 93 75.054 5.898 -4.010 1.00 0.00 C ATOM 590 C GLY A 93 74.704 5.295 -5.374 1.00 0.00 C ATOM 591 O GLY A 93 74.715 5.995 -6.386 1.00 0.00 O ATOM 0 H GLY A 93 74.171 5.395 -2.161 1.00 0.00 H new ATOM 0 HA2 GLY A 93 75.333 6.944 -4.136 1.00 0.00 H new ATOM 0 HA3 GLY A 93 75.922 5.384 -3.598 1.00 0.00 H new ATOM 595 N PRO A 94 74.377 4.029 -5.413 1.00 0.00 N ATOM 596 CA PRO A 94 73.991 3.318 -6.674 1.00 0.00 C ATOM 597 C PRO A 94 72.885 4.045 -7.436 1.00 0.00 C ATOM 598 O PRO A 94 72.799 3.955 -8.661 1.00 0.00 O ATOM 599 CB PRO A 94 73.486 1.964 -6.176 1.00 0.00 C ATOM 600 CG PRO A 94 74.204 1.740 -4.892 1.00 0.00 C ATOM 601 CD PRO A 94 74.364 3.120 -4.259 1.00 0.00 C ATOM 0 HA PRO A 94 74.824 3.250 -7.373 1.00 0.00 H new ATOM 0 HB2 PRO A 94 72.406 1.974 -6.029 1.00 0.00 H new ATOM 0 HB3 PRO A 94 73.702 1.173 -6.894 1.00 0.00 H new ATOM 0 HG2 PRO A 94 73.640 1.074 -4.240 1.00 0.00 H new ATOM 0 HG3 PRO A 94 75.174 1.273 -5.063 1.00 0.00 H new ATOM 0 HD2 PRO A 94 73.543 3.347 -3.579 1.00 0.00 H new ATOM 0 HD3 PRO A 94 75.286 3.192 -3.681 1.00 0.00 H new ATOM 609 N ALA A 95 72.038 4.758 -6.702 1.00 0.00 N ATOM 610 CA ALA A 95 70.940 5.488 -7.321 1.00 0.00 C ATOM 611 C ALA A 95 71.482 6.511 -8.315 1.00 0.00 C ATOM 612 O ALA A 95 70.904 6.720 -9.384 1.00 0.00 O ATOM 613 CB ALA A 95 70.109 6.190 -6.245 1.00 0.00 C ATOM 0 H ALA A 95 72.090 4.845 -5.687 1.00 0.00 H new ATOM 0 HA ALA A 95 70.304 4.783 -7.856 1.00 0.00 H new ATOM 0 HB1 ALA A 95 69.290 6.734 -6.715 1.00 0.00 H new ATOM 0 HB2 ALA A 95 69.704 5.448 -5.556 1.00 0.00 H new ATOM 0 HB3 ALA A 95 70.740 6.889 -5.696 1.00 0.00 H new ATOM 619 N ALA A 96 72.597 7.144 -7.960 1.00 0.00 N ATOM 620 CA ALA A 96 73.211 8.137 -8.834 1.00 0.00 C ATOM 621 C ALA A 96 74.195 7.453 -9.800 1.00 0.00 C ATOM 622 O ALA A 96 75.190 6.885 -9.351 1.00 0.00 O ATOM 623 CB ALA A 96 73.972 9.161 -7.990 1.00 0.00 C ATOM 0 H ALA A 96 73.090 6.988 -7.081 1.00 0.00 H new ATOM 0 HA ALA A 96 72.429 8.635 -9.406 1.00 0.00 H new ATOM 0 HB1 ALA A 96 74.431 9.903 -8.644 1.00 0.00 H new ATOM 0 HB2 ALA A 96 73.281 9.656 -7.308 1.00 0.00 H new ATOM 0 HB3 ALA A 96 74.748 8.655 -7.416 1.00 0.00 H new ATOM 629 N PRO A 97 73.962 7.488 -11.101 1.00 0.00 N ATOM 630 CA PRO A 97 74.883 6.842 -12.094 1.00 0.00 C ATOM 631 C PRO A 97 76.303 7.390 -12.012 1.00 0.00 C ATOM 632 O PRO A 97 76.507 8.571 -11.736 1.00 0.00 O ATOM 633 CB PRO A 97 74.260 7.185 -13.452 1.00 0.00 C ATOM 634 CG PRO A 97 72.829 7.468 -13.157 1.00 0.00 C ATOM 635 CD PRO A 97 72.817 8.121 -11.779 1.00 0.00 C ATOM 0 HA PRO A 97 74.977 5.771 -11.914 1.00 0.00 H new ATOM 0 HB2 PRO A 97 74.748 8.048 -13.904 1.00 0.00 H new ATOM 0 HB3 PRO A 97 74.362 6.357 -14.154 1.00 0.00 H new ATOM 0 HG2 PRO A 97 72.397 8.129 -13.908 1.00 0.00 H new ATOM 0 HG3 PRO A 97 72.239 6.552 -13.162 1.00 0.00 H new ATOM 0 HD2 PRO A 97 72.934 9.203 -11.844 1.00 0.00 H new ATOM 0 HD3 PRO A 97 71.882 7.933 -11.252 1.00 0.00 H new ATOM 643 N ALA A 98 77.284 6.525 -12.262 1.00 0.00 N ATOM 644 CA ALA A 98 78.682 6.936 -12.225 1.00 0.00 C ATOM 645 C ALA A 98 79.477 6.228 -13.324 1.00 0.00 C ATOM 646 O ALA A 98 79.616 6.755 -14.428 1.00 0.00 O ATOM 647 CB ALA A 98 79.289 6.633 -10.851 1.00 0.00 C ATOM 0 H ALA A 98 77.136 5.542 -12.491 1.00 0.00 H new ATOM 0 HA ALA A 98 78.731 8.011 -12.399 1.00 0.00 H new ATOM 0 HB1 ALA A 98 80.333 6.945 -10.838 1.00 0.00 H new ATOM 0 HB2 ALA A 98 78.738 7.175 -10.082 1.00 0.00 H new ATOM 0 HB3 ALA A 98 79.228 5.563 -10.654 1.00 0.00 H new ATOM 653 N ALA A 99 79.995 5.036 -13.026 1.00 0.00 N ATOM 654 CA ALA A 99 80.766 4.288 -14.013 1.00 0.00 C ATOM 655 C ALA A 99 79.900 3.928 -15.217 1.00 0.00 C ATOM 656 O ALA A 99 80.345 4.011 -16.362 1.00 0.00 O ATOM 657 CB ALA A 99 81.321 3.008 -13.385 1.00 0.00 C ATOM 0 H ALA A 99 79.896 4.575 -12.122 1.00 0.00 H new ATOM 0 HA ALA A 99 81.590 4.917 -14.348 1.00 0.00 H new ATOM 0 HB1 ALA A 99 81.895 2.457 -14.130 1.00 0.00 H new ATOM 0 HB2 ALA A 99 81.968 3.265 -12.546 1.00 0.00 H new ATOM 0 HB3 ALA A 99 80.496 2.389 -13.031 1.00 0.00 H new ATOM 663 N ALA A 100 78.662 3.525 -14.948 1.00 0.00 N ATOM 664 CA ALA A 100 77.740 3.150 -16.014 1.00 0.00 C ATOM 665 C ALA A 100 77.466 4.333 -16.937 1.00 0.00 C ATOM 666 O ALA A 100 77.385 4.176 -18.155 1.00 0.00 O ATOM 667 CB ALA A 100 76.423 2.655 -15.415 1.00 0.00 C ATOM 0 H ALA A 100 78.276 3.450 -14.007 1.00 0.00 H new ATOM 0 HA ALA A 100 78.200 2.352 -16.597 1.00 0.00 H new ATOM 0 HB1 ALA A 100 75.740 2.377 -16.218 1.00 0.00 H new ATOM 0 HB2 ALA A 100 76.614 1.787 -14.784 1.00 0.00 H new ATOM 0 HB3 ALA A 100 75.975 3.448 -14.816 1.00 0.00 H new ATOM 673 N ASN A 101 77.321 5.515 -16.348 1.00 0.00 N ATOM 674 CA ASN A 101 77.050 6.716 -17.129 1.00 0.00 C ATOM 675 C ASN A 101 78.350 7.398 -17.539 1.00 0.00 C ATOM 676 O ASN A 101 78.956 8.124 -16.751 1.00 0.00 O ATOM 677 CB ASN A 101 76.203 7.688 -16.307 1.00 0.00 C ATOM 678 CG ASN A 101 75.742 8.849 -17.181 1.00 0.00 C ATOM 679 OD1 ASN A 101 75.411 8.653 -18.350 1.00 0.00 O ATOM 680 ND2 ASN A 101 75.706 10.054 -16.682 1.00 0.00 N ATOM 0 H ASN A 101 77.386 5.667 -15.341 1.00 0.00 H new ATOM 0 HA ASN A 101 76.508 6.426 -18.029 1.00 0.00 H new ATOM 0 HB2 ASN A 101 75.339 7.169 -15.893 1.00 0.00 H new ATOM 0 HB3 ASN A 101 76.783 8.065 -15.464 1.00 0.00 H new ATOM 0 HD21 ASN A 101 75.403 10.837 -17.261 1.00 0.00 H new ATOM 0 HD22 ASN A 101 75.981 10.213 -15.713 1.00 0.00 H new ATOM 687 N SER A 102 78.769 7.167 -18.778 1.00 0.00 N ATOM 688 CA SER A 102 79.994 7.775 -19.282 1.00 0.00 C ATOM 689 C SER A 102 79.671 8.846 -20.318 1.00 0.00 C ATOM 690 O SER A 102 80.127 9.984 -20.214 1.00 0.00 O ATOM 691 CB SER A 102 80.888 6.705 -19.910 1.00 0.00 C ATOM 692 OG SER A 102 81.297 5.785 -18.906 1.00 0.00 O ATOM 0 H SER A 102 78.284 6.569 -19.446 1.00 0.00 H new ATOM 0 HA SER A 102 80.519 8.240 -18.447 1.00 0.00 H new ATOM 0 HB2 SER A 102 80.349 6.182 -20.700 1.00 0.00 H new ATOM 0 HB3 SER A 102 81.760 7.168 -20.372 1.00 0.00 H new ATOM 0 HG SER A 102 81.869 5.097 -19.306 1.00 0.00 H new ATOM 698 N SER A 103 78.874 8.473 -21.316 1.00 0.00 N ATOM 699 CA SER A 103 78.488 9.410 -22.365 1.00 0.00 C ATOM 700 C SER A 103 76.995 9.728 -22.293 1.00 0.00 C ATOM 701 O SER A 103 76.537 10.723 -22.856 1.00 0.00 O ATOM 702 CB SER A 103 78.818 8.820 -23.735 1.00 0.00 C ATOM 703 OG SER A 103 78.031 7.655 -23.944 1.00 0.00 O ATOM 0 H SER A 103 78.486 7.535 -21.420 1.00 0.00 H new ATOM 0 HA SER A 103 79.047 10.334 -22.218 1.00 0.00 H new ATOM 0 HB2 SER A 103 78.619 9.553 -24.517 1.00 0.00 H new ATOM 0 HB3 SER A 103 79.878 8.572 -23.792 1.00 0.00 H new ATOM 0 HG SER A 103 78.238 7.274 -24.823 1.00 0.00 H new ATOM 709 N GLY A 104 76.238 8.878 -21.603 1.00 0.00 N ATOM 710 CA GLY A 104 74.798 9.083 -21.476 1.00 0.00 C ATOM 711 C GLY A 104 74.056 8.472 -22.661 1.00 0.00 C ATOM 712 O GLY A 104 74.673 8.012 -23.621 1.00 0.00 O ATOM 0 H GLY A 104 76.594 8.049 -21.128 1.00 0.00 H new ATOM 0 HA2 GLY A 104 74.443 8.634 -20.548 1.00 0.00 H new ATOM 0 HA3 GLY A 104 74.582 10.150 -21.417 1.00 0.00 H new ATOM 716 N ASP A 105 72.727 8.470 -22.588 1.00 0.00 N ATOM 717 CA ASP A 105 71.914 7.912 -23.665 1.00 0.00 C ATOM 718 C ASP A 105 70.455 8.333 -23.517 1.00 0.00 C ATOM 719 O ASP A 105 70.036 8.795 -22.456 1.00 0.00 O ATOM 720 CB ASP A 105 72.009 6.384 -23.654 1.00 0.00 C ATOM 721 CG ASP A 105 71.626 5.821 -25.020 1.00 0.00 C ATOM 722 OD1 ASP A 105 71.519 6.598 -25.955 1.00 0.00 O ATOM 723 OD2 ASP A 105 71.443 4.618 -25.110 1.00 0.00 O ATOM 0 H ASP A 105 72.195 8.845 -21.803 1.00 0.00 H new ATOM 0 HA ASP A 105 72.294 8.295 -24.612 1.00 0.00 H new ATOM 0 HB2 ASP A 105 73.023 6.077 -23.398 1.00 0.00 H new ATOM 0 HB3 ASP A 105 71.350 5.977 -22.887 1.00 0.00 H new ATOM 728 N GLY A 106 69.686 8.172 -24.588 1.00 0.00 N ATOM 729 CA GLY A 106 68.275 8.539 -24.560 1.00 0.00 C ATOM 730 C GLY A 106 68.104 10.056 -24.553 1.00 0.00 C ATOM 731 O GLY A 106 67.044 10.565 -24.190 1.00 0.00 O ATOM 0 H GLY A 106 70.011 7.794 -25.478 1.00 0.00 H new ATOM 0 HA2 GLY A 106 67.768 8.116 -25.428 1.00 0.00 H new ATOM 0 HA3 GLY A 106 67.802 8.112 -23.676 1.00 0.00 H new ATOM 735 N GLY A 107 69.155 10.773 -24.944 1.00 0.00 N ATOM 736 CA GLY A 107 69.102 12.229 -24.964 1.00 0.00 C ATOM 737 C GLY A 107 69.172 12.795 -23.548 1.00 0.00 C ATOM 738 O GLY A 107 68.814 13.949 -23.316 1.00 0.00 O ATOM 0 H GLY A 107 70.043 10.374 -25.248 1.00 0.00 H new ATOM 0 HA2 GLY A 107 69.929 12.619 -25.557 1.00 0.00 H new ATOM 0 HA3 GLY A 107 68.181 12.557 -25.446 1.00 0.00 H new ATOM 742 N ALA A 108 69.632 11.977 -22.603 1.00 0.00 N ATOM 743 CA ALA A 108 69.738 12.412 -21.217 1.00 0.00 C ATOM 744 C ALA A 108 70.895 11.706 -20.523 1.00 0.00 C ATOM 745 O ALA A 108 71.278 10.599 -20.903 1.00 0.00 O ATOM 746 CB ALA A 108 68.436 12.106 -20.474 1.00 0.00 C ATOM 0 H ALA A 108 69.934 11.018 -22.772 1.00 0.00 H new ATOM 0 HA ALA A 108 69.921 13.486 -21.206 1.00 0.00 H new ATOM 0 HB1 ALA A 108 68.522 12.434 -19.438 1.00 0.00 H new ATOM 0 HB2 ALA A 108 67.611 12.633 -20.954 1.00 0.00 H new ATOM 0 HB3 ALA A 108 68.246 11.033 -20.500 1.00 0.00 H new ATOM 752 N ALA A 109 71.445 12.352 -19.502 1.00 0.00 N ATOM 753 CA ALA A 109 72.557 11.773 -18.761 1.00 0.00 C ATOM 754 C ALA A 109 72.429 12.088 -17.275 1.00 0.00 C ATOM 755 O ALA A 109 71.960 13.160 -16.893 1.00 0.00 O ATOM 756 CB ALA A 109 73.881 12.329 -19.289 1.00 0.00 C ATOM 0 H ALA A 109 71.142 13.268 -19.171 1.00 0.00 H new ATOM 0 HA ALA A 109 72.537 10.692 -18.896 1.00 0.00 H new ATOM 0 HB1 ALA A 109 74.708 11.891 -18.730 1.00 0.00 H new ATOM 0 HB2 ALA A 109 73.985 12.080 -20.345 1.00 0.00 H new ATOM 0 HB3 ALA A 109 73.895 13.412 -19.169 1.00 0.00 H new ATOM 762 N GLY A 110 72.858 11.147 -16.445 1.00 0.00 N ATOM 763 CA GLY A 110 72.800 11.328 -15.001 1.00 0.00 C ATOM 764 C GLY A 110 74.193 11.583 -14.450 1.00 0.00 C ATOM 765 O GLY A 110 75.055 12.107 -15.154 1.00 0.00 O ATOM 0 H GLY A 110 73.249 10.254 -16.745 1.00 0.00 H new ATOM 0 HA2 GLY A 110 72.145 12.165 -14.758 1.00 0.00 H new ATOM 0 HA3 GLY A 110 72.372 10.442 -14.533 1.00 0.00 H new ATOM 769 N ASP A 111 74.397 11.205 -13.191 1.00 0.00 N ATOM 770 CA ASP A 111 75.698 11.383 -12.532 1.00 0.00 C ATOM 771 C ASP A 111 75.958 12.850 -12.226 1.00 0.00 C ATOM 772 O ASP A 111 76.672 13.532 -12.961 1.00 0.00 O ATOM 773 CB ASP A 111 76.829 10.836 -13.412 1.00 0.00 C ATOM 774 CG ASP A 111 78.088 10.617 -12.576 1.00 0.00 C ATOM 775 OD1 ASP A 111 78.004 10.756 -11.367 1.00 0.00 O ATOM 776 OD2 ASP A 111 79.116 10.314 -13.159 1.00 0.00 O ATOM 0 H ASP A 111 73.683 10.774 -12.604 1.00 0.00 H new ATOM 0 HA ASP A 111 75.672 10.827 -11.595 1.00 0.00 H new ATOM 0 HB2 ASP A 111 76.521 9.897 -13.871 1.00 0.00 H new ATOM 0 HB3 ASP A 111 77.039 11.534 -14.223 1.00 0.00 H new ATOM 781 N GLY A 112 75.356 13.333 -11.144 1.00 0.00 N ATOM 782 CA GLY A 112 75.502 14.724 -10.751 1.00 0.00 C ATOM 783 C GLY A 112 74.220 15.478 -11.045 1.00 0.00 C ATOM 784 O GLY A 112 73.994 16.569 -10.521 1.00 0.00 O ATOM 0 H GLY A 112 74.763 12.779 -10.526 1.00 0.00 H new ATOM 0 HA2 GLY A 112 75.737 14.789 -9.689 1.00 0.00 H new ATOM 0 HA3 GLY A 112 76.334 15.178 -11.290 1.00 0.00 H new ATOM 788 N THR A 113 73.378 14.877 -11.875 1.00 0.00 N ATOM 789 CA THR A 113 72.112 15.479 -12.226 1.00 0.00 C ATOM 790 C THR A 113 70.955 14.628 -11.702 1.00 0.00 C ATOM 791 O THR A 113 70.843 14.416 -10.496 1.00 0.00 O ATOM 792 CB THR A 113 72.034 15.688 -13.743 1.00 0.00 C ATOM 793 OG1 THR A 113 72.154 14.435 -14.401 1.00 0.00 O ATOM 794 CG2 THR A 113 73.164 16.614 -14.194 1.00 0.00 C ATOM 0 H THR A 113 73.554 13.974 -12.314 1.00 0.00 H new ATOM 0 HA THR A 113 72.032 16.458 -11.754 1.00 0.00 H new ATOM 0 HB THR A 113 71.075 16.141 -13.996 1.00 0.00 H new ATOM 0 HG1 THR A 113 71.950 14.545 -15.353 1.00 0.00 H new ATOM 0 HG21 THR A 113 73.106 16.760 -15.273 1.00 0.00 H new ATOM 0 HG22 THR A 113 73.068 17.576 -13.691 1.00 0.00 H new ATOM 0 HG23 THR A 113 74.125 16.166 -13.940 1.00 0.00 H new ATOM 802 N VAL A 114 70.093 14.153 -12.587 1.00 0.00 N ATOM 803 CA VAL A 114 68.965 13.351 -12.158 1.00 0.00 C ATOM 804 C VAL A 114 69.444 12.019 -11.593 1.00 0.00 C ATOM 805 O VAL A 114 70.355 11.390 -12.133 1.00 0.00 O ATOM 806 CB VAL A 114 68.024 13.117 -13.341 1.00 0.00 C ATOM 807 CG1 VAL A 114 67.855 14.419 -14.126 1.00 0.00 C ATOM 808 CG2 VAL A 114 68.615 12.048 -14.259 1.00 0.00 C ATOM 0 H VAL A 114 70.153 14.308 -13.593 1.00 0.00 H new ATOM 0 HA VAL A 114 68.428 13.883 -11.373 1.00 0.00 H new ATOM 0 HB VAL A 114 67.054 12.786 -12.970 1.00 0.00 H new ATOM 0 HG11 VAL A 114 67.184 14.251 -14.969 1.00 0.00 H new ATOM 0 HG12 VAL A 114 67.434 15.185 -13.474 1.00 0.00 H new ATOM 0 HG13 VAL A 114 68.826 14.750 -14.495 1.00 0.00 H new ATOM 0 HG21 VAL A 114 67.944 11.881 -15.102 1.00 0.00 H new ATOM 0 HG22 VAL A 114 69.585 12.381 -14.627 1.00 0.00 H new ATOM 0 HG23 VAL A 114 68.737 11.118 -13.703 1.00 0.00 H new ATOM 818 N VAL A 115 68.827 11.602 -10.499 1.00 0.00 N ATOM 819 CA VAL A 115 69.190 10.352 -9.853 1.00 0.00 C ATOM 820 C VAL A 115 68.072 9.338 -10.029 1.00 0.00 C ATOM 821 O VAL A 115 66.902 9.643 -9.797 1.00 0.00 O ATOM 822 CB VAL A 115 69.426 10.587 -8.367 1.00 0.00 C ATOM 823 CG1 VAL A 115 69.829 9.273 -7.696 1.00 0.00 C ATOM 824 CG2 VAL A 115 70.535 11.627 -8.185 1.00 0.00 C ATOM 0 H VAL A 115 68.072 12.112 -10.040 1.00 0.00 H new ATOM 0 HA VAL A 115 70.103 9.970 -10.310 1.00 0.00 H new ATOM 0 HB VAL A 115 68.509 10.955 -7.907 1.00 0.00 H new ATOM 0 HG11 VAL A 115 69.997 9.444 -6.633 1.00 0.00 H new ATOM 0 HG12 VAL A 115 69.033 8.540 -7.824 1.00 0.00 H new ATOM 0 HG13 VAL A 115 70.745 8.897 -8.152 1.00 0.00 H new ATOM 0 HG21 VAL A 115 70.705 11.796 -7.122 1.00 0.00 H new ATOM 0 HG22 VAL A 115 71.454 11.264 -8.646 1.00 0.00 H new ATOM 0 HG23 VAL A 115 70.237 12.563 -8.658 1.00 0.00 H new ATOM 834 N ASP A 116 68.434 8.133 -10.436 1.00 0.00 N ATOM 835 CA ASP A 116 67.436 7.095 -10.635 1.00 0.00 C ATOM 836 C ASP A 116 67.008 6.526 -9.297 1.00 0.00 C ATOM 837 O ASP A 116 67.821 6.043 -8.509 1.00 0.00 O ATOM 838 CB ASP A 116 67.981 5.980 -11.529 1.00 0.00 C ATOM 839 CG ASP A 116 68.970 6.552 -12.541 1.00 0.00 C ATOM 840 OD1 ASP A 116 70.140 6.646 -12.206 1.00 0.00 O ATOM 841 OD2 ASP A 116 68.545 6.884 -13.636 1.00 0.00 O ATOM 0 H ASP A 116 69.395 7.852 -10.632 1.00 0.00 H new ATOM 0 HA ASP A 116 66.572 7.539 -11.130 1.00 0.00 H new ATOM 0 HB2 ASP A 116 68.472 5.222 -10.919 1.00 0.00 H new ATOM 0 HB3 ASP A 116 67.160 5.488 -12.050 1.00 0.00 H new ATOM 846 N CYS A 117 65.717 6.610 -9.050 1.00 0.00 N ATOM 847 CA CYS A 117 65.137 6.134 -7.814 1.00 0.00 C ATOM 848 C CYS A 117 64.322 4.872 -8.082 1.00 0.00 C ATOM 849 O CYS A 117 63.574 4.828 -9.043 1.00 0.00 O ATOM 850 CB CYS A 117 64.216 7.219 -7.277 1.00 0.00 C ATOM 851 SG CYS A 117 63.605 6.757 -5.638 1.00 0.00 S ATOM 0 H CYS A 117 65.042 7.010 -9.701 1.00 0.00 H new ATOM 0 HA CYS A 117 65.922 5.905 -7.094 1.00 0.00 H new ATOM 0 HB2 CYS A 117 64.751 8.167 -7.221 1.00 0.00 H new ATOM 0 HB3 CYS A 117 63.378 7.366 -7.958 1.00 0.00 H new ATOM 856 N PRO A 118 64.424 3.846 -7.287 1.00 0.00 N ATOM 857 CA PRO A 118 63.641 2.602 -7.532 1.00 0.00 C ATOM 858 C PRO A 118 62.134 2.841 -7.508 1.00 0.00 C ATOM 859 O PRO A 118 61.357 1.962 -7.882 1.00 0.00 O ATOM 860 CB PRO A 118 64.061 1.665 -6.401 1.00 0.00 C ATOM 861 CG PRO A 118 64.655 2.546 -5.352 1.00 0.00 C ATOM 862 CD PRO A 118 65.268 3.729 -6.090 1.00 0.00 C ATOM 0 HA PRO A 118 63.842 2.195 -8.523 1.00 0.00 H new ATOM 0 HB2 PRO A 118 63.206 1.113 -6.011 1.00 0.00 H new ATOM 0 HB3 PRO A 118 64.784 0.928 -6.750 1.00 0.00 H new ATOM 0 HG2 PRO A 118 63.894 2.879 -4.646 1.00 0.00 H new ATOM 0 HG3 PRO A 118 65.411 2.012 -4.777 1.00 0.00 H new ATOM 0 HD2 PRO A 118 65.242 4.637 -5.488 1.00 0.00 H new ATOM 0 HD3 PRO A 118 66.311 3.547 -6.348 1.00 0.00 H new ATOM 870 N VAL A 119 61.718 4.015 -7.060 1.00 0.00 N ATOM 871 CA VAL A 119 60.296 4.313 -6.991 1.00 0.00 C ATOM 872 C VAL A 119 59.809 5.038 -8.249 1.00 0.00 C ATOM 873 O VAL A 119 58.967 4.520 -8.978 1.00 0.00 O ATOM 874 CB VAL A 119 60.018 5.168 -5.760 1.00 0.00 C ATOM 875 CG1 VAL A 119 58.510 5.380 -5.615 1.00 0.00 C ATOM 876 CG2 VAL A 119 60.560 4.458 -4.517 1.00 0.00 C ATOM 0 H VAL A 119 62.332 4.765 -6.744 1.00 0.00 H new ATOM 0 HA VAL A 119 59.753 3.370 -6.921 1.00 0.00 H new ATOM 0 HB VAL A 119 60.509 6.135 -5.868 1.00 0.00 H new ATOM 0 HG11 VAL A 119 58.312 5.991 -4.735 1.00 0.00 H new ATOM 0 HG12 VAL A 119 58.127 5.885 -6.502 1.00 0.00 H new ATOM 0 HG13 VAL A 119 58.016 4.415 -5.505 1.00 0.00 H new ATOM 0 HG21 VAL A 119 60.363 5.067 -3.635 1.00 0.00 H new ATOM 0 HG22 VAL A 119 60.069 3.491 -4.407 1.00 0.00 H new ATOM 0 HG23 VAL A 119 61.635 4.310 -4.622 1.00 0.00 H new ATOM 886 N CYS A 120 60.342 6.231 -8.501 1.00 0.00 N ATOM 887 CA CYS A 120 59.943 6.998 -9.680 1.00 0.00 C ATOM 888 C CYS A 120 60.931 6.787 -10.823 1.00 0.00 C ATOM 889 O CYS A 120 60.583 6.931 -11.995 1.00 0.00 O ATOM 890 CB CYS A 120 59.858 8.487 -9.334 1.00 0.00 C ATOM 891 SG CYS A 120 61.398 9.020 -8.538 1.00 0.00 S ATOM 0 H CYS A 120 61.042 6.684 -7.914 1.00 0.00 H new ATOM 0 HA CYS A 120 58.962 6.647 -10.001 1.00 0.00 H new ATOM 0 HB2 CYS A 120 59.684 9.071 -10.238 1.00 0.00 H new ATOM 0 HB3 CYS A 120 59.013 8.668 -8.670 1.00 0.00 H new ATOM 896 N LYS A 121 62.158 6.430 -10.468 1.00 0.00 N ATOM 897 CA LYS A 121 63.199 6.176 -11.460 1.00 0.00 C ATOM 898 C LYS A 121 63.366 7.375 -12.390 1.00 0.00 C ATOM 899 O LYS A 121 63.754 7.230 -13.550 1.00 0.00 O ATOM 900 CB LYS A 121 62.838 4.914 -12.262 1.00 0.00 C ATOM 901 CG LYS A 121 63.584 3.687 -11.710 1.00 0.00 C ATOM 902 CD LYS A 121 62.606 2.754 -10.988 1.00 0.00 C ATOM 903 CE LYS A 121 63.201 1.347 -10.950 1.00 0.00 C ATOM 904 NZ LYS A 121 62.293 0.442 -10.193 1.00 0.00 N ATOM 0 H LYS A 121 62.459 6.309 -9.501 1.00 0.00 H new ATOM 0 HA LYS A 121 64.149 6.019 -10.949 1.00 0.00 H new ATOM 0 HB2 LYS A 121 61.762 4.743 -12.216 1.00 0.00 H new ATOM 0 HB3 LYS A 121 63.093 5.059 -13.312 1.00 0.00 H new ATOM 0 HG2 LYS A 121 64.073 3.153 -12.525 1.00 0.00 H new ATOM 0 HG3 LYS A 121 64.367 4.007 -11.023 1.00 0.00 H new ATOM 0 HD2 LYS A 121 62.421 3.112 -9.975 1.00 0.00 H new ATOM 0 HD3 LYS A 121 61.645 2.743 -11.503 1.00 0.00 H new ATOM 0 HE2 LYS A 121 63.341 0.973 -11.964 1.00 0.00 H new ATOM 0 HE3 LYS A 121 64.184 1.369 -10.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 62.814 -0.410 -9.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 61.938 0.934 -9.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 61.492 0.169 -10.797 1.00 0.00 H new ATOM 918 N GLN A 122 63.084 8.564 -11.868 1.00 0.00 N ATOM 919 CA GLN A 122 63.223 9.781 -12.658 1.00 0.00 C ATOM 920 C GLN A 122 63.416 10.998 -11.762 1.00 0.00 C ATOM 921 O GLN A 122 62.764 11.133 -10.728 1.00 0.00 O ATOM 922 CB GLN A 122 61.993 9.991 -13.533 1.00 0.00 C ATOM 923 CG GLN A 122 62.198 11.234 -14.400 1.00 0.00 C ATOM 924 CD GLN A 122 61.003 11.415 -15.331 1.00 0.00 C ATOM 925 OE1 GLN A 122 60.105 10.574 -15.355 1.00 0.00 O ATOM 926 NE2 GLN A 122 60.935 12.465 -16.103 1.00 0.00 N ATOM 0 H GLN A 122 62.761 8.710 -10.912 1.00 0.00 H new ATOM 0 HA GLN A 122 64.104 9.666 -13.289 1.00 0.00 H new ATOM 0 HB2 GLN A 122 61.827 9.117 -14.163 1.00 0.00 H new ATOM 0 HB3 GLN A 122 61.106 10.109 -12.911 1.00 0.00 H new ATOM 0 HG2 GLN A 122 62.316 12.114 -13.768 1.00 0.00 H new ATOM 0 HG3 GLN A 122 63.114 11.135 -14.983 1.00 0.00 H new ATOM 0 HE21 GLN A 122 61.680 13.162 -16.083 1.00 0.00 H new ATOM 0 HE22 GLN A 122 60.137 12.589 -16.727 1.00 0.00 H new ATOM 935 N GLN A 123 64.311 11.883 -12.174 1.00 0.00 N ATOM 936 CA GLN A 123 64.582 13.095 -11.413 1.00 0.00 C ATOM 937 C GLN A 123 64.810 14.276 -12.345 1.00 0.00 C ATOM 938 O GLN A 123 65.138 14.098 -13.514 1.00 0.00 O ATOM 939 CB GLN A 123 65.804 12.892 -10.518 1.00 0.00 C ATOM 940 CG GLN A 123 65.350 12.669 -9.071 1.00 0.00 C ATOM 941 CD GLN A 123 64.679 13.933 -8.543 1.00 0.00 C ATOM 942 OE1 GLN A 123 63.605 13.863 -7.947 1.00 0.00 O ATOM 943 NE2 GLN A 123 65.246 15.091 -8.741 1.00 0.00 N ATOM 0 H GLN A 123 64.861 11.786 -13.028 1.00 0.00 H new ATOM 0 HA GLN A 123 63.715 13.310 -10.789 1.00 0.00 H new ATOM 0 HB2 GLN A 123 66.383 12.036 -10.864 1.00 0.00 H new ATOM 0 HB3 GLN A 123 66.458 13.762 -10.575 1.00 0.00 H new ATOM 0 HG2 GLN A 123 64.656 11.830 -9.022 1.00 0.00 H new ATOM 0 HG3 GLN A 123 66.206 12.412 -8.447 1.00 0.00 H new ATOM 0 HE21 GLN A 123 66.136 15.145 -9.236 1.00 0.00 H new ATOM 0 HE22 GLN A 123 64.799 15.943 -8.401 1.00 0.00 H new ATOM 952 N CYS A 124 64.626 15.480 -11.817 1.00 0.00 N ATOM 953 CA CYS A 124 64.820 16.687 -12.609 1.00 0.00 C ATOM 954 C CYS A 124 66.233 17.225 -12.410 1.00 0.00 C ATOM 955 O CYS A 124 66.974 17.431 -13.370 1.00 0.00 O ATOM 956 CB CYS A 124 63.800 17.752 -12.200 1.00 0.00 C ATOM 957 SG CYS A 124 63.873 19.137 -13.362 1.00 0.00 S ATOM 0 H CYS A 124 64.345 15.646 -10.851 1.00 0.00 H new ATOM 0 HA CYS A 124 64.678 16.441 -13.661 1.00 0.00 H new ATOM 0 HB2 CYS A 124 62.797 17.325 -12.189 1.00 0.00 H new ATOM 0 HB3 CYS A 124 64.009 18.101 -11.189 1.00 0.00 H new ATOM 0 HG CYS A 124 64.348 20.185 -12.758 1.00 0.00 H new ATOM 963 N PHE A 125 66.591 17.457 -11.151 1.00 0.00 N ATOM 964 CA PHE A 125 67.911 17.977 -10.819 1.00 0.00 C ATOM 965 C PHE A 125 68.435 17.384 -9.520 1.00 0.00 C ATOM 966 O PHE A 125 67.740 16.631 -8.837 1.00 0.00 O ATOM 967 CB PHE A 125 67.856 19.497 -10.692 1.00 0.00 C ATOM 968 CG PHE A 125 66.493 19.902 -10.182 1.00 0.00 C ATOM 969 CD1 PHE A 125 66.140 19.662 -8.849 1.00 0.00 C ATOM 970 CD2 PHE A 125 65.580 20.518 -11.047 1.00 0.00 C ATOM 971 CE1 PHE A 125 64.874 20.035 -8.381 1.00 0.00 C ATOM 972 CE2 PHE A 125 64.314 20.892 -10.580 1.00 0.00 C ATOM 973 CZ PHE A 125 63.961 20.651 -9.247 1.00 0.00 C ATOM 0 H PHE A 125 65.986 17.293 -10.346 1.00 0.00 H new ATOM 0 HA PHE A 125 68.589 17.694 -11.624 1.00 0.00 H new ATOM 0 HB2 PHE A 125 68.631 19.846 -10.010 1.00 0.00 H new ATOM 0 HB3 PHE A 125 68.049 19.962 -11.659 1.00 0.00 H new ATOM 0 HD1 PHE A 125 66.844 19.189 -8.181 1.00 0.00 H new ATOM 0 HD2 PHE A 125 65.853 20.705 -12.075 1.00 0.00 H new ATOM 0 HE1 PHE A 125 64.601 19.848 -7.353 1.00 0.00 H new ATOM 0 HE2 PHE A 125 63.610 21.366 -11.248 1.00 0.00 H new ATOM 0 HZ PHE A 125 62.985 20.940 -8.886 1.00 0.00 H new ATOM 983 N SER A 126 69.676 17.728 -9.193 1.00 0.00 N ATOM 984 CA SER A 126 70.305 17.229 -7.983 1.00 0.00 C ATOM 985 C SER A 126 70.360 18.296 -6.896 1.00 0.00 C ATOM 986 O SER A 126 71.425 18.602 -6.360 1.00 0.00 O ATOM 987 CB SER A 126 71.715 16.761 -8.292 1.00 0.00 C ATOM 988 OG SER A 126 72.469 17.847 -8.814 1.00 0.00 O ATOM 0 H SER A 126 70.263 18.349 -9.750 1.00 0.00 H new ATOM 0 HA SER A 126 69.703 16.397 -7.617 1.00 0.00 H new ATOM 0 HB2 SER A 126 72.188 16.376 -7.389 1.00 0.00 H new ATOM 0 HB3 SER A 126 71.689 15.943 -9.012 1.00 0.00 H new ATOM 0 HG SER A 126 73.224 17.501 -9.335 1.00 0.00 H new ATOM 994 N LYS A 127 69.209 18.860 -6.583 1.00 0.00 N ATOM 995 CA LYS A 127 69.129 19.895 -5.558 1.00 0.00 C ATOM 996 C LYS A 127 68.937 19.292 -4.165 1.00 0.00 C ATOM 997 O LYS A 127 69.556 19.734 -3.197 1.00 0.00 O ATOM 998 CB LYS A 127 67.969 20.833 -5.865 1.00 0.00 C ATOM 999 CG LYS A 127 68.164 21.480 -7.239 1.00 0.00 C ATOM 1000 CD LYS A 127 69.345 22.452 -7.201 1.00 0.00 C ATOM 1001 CE LYS A 127 69.472 23.146 -8.558 1.00 0.00 C ATOM 1002 NZ LYS A 127 70.614 24.102 -8.523 1.00 0.00 N ATOM 0 H LYS A 127 68.318 18.624 -7.019 1.00 0.00 H new ATOM 0 HA LYS A 127 70.069 20.446 -5.565 1.00 0.00 H new ATOM 0 HB2 LYS A 127 67.030 20.281 -5.845 1.00 0.00 H new ATOM 0 HB3 LYS A 127 67.902 21.604 -5.098 1.00 0.00 H new ATOM 0 HG2 LYS A 127 68.341 20.710 -7.990 1.00 0.00 H new ATOM 0 HG3 LYS A 127 67.257 22.009 -7.532 1.00 0.00 H new ATOM 0 HD2 LYS A 127 69.197 23.191 -6.414 1.00 0.00 H new ATOM 0 HD3 LYS A 127 70.265 21.916 -6.966 1.00 0.00 H new ATOM 0 HE2 LYS A 127 69.627 22.406 -9.343 1.00 0.00 H new ATOM 0 HE3 LYS A 127 68.549 23.674 -8.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 70.700 24.574 -9.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 70.448 24.815 -7.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 71.493 23.586 -8.315 1.00 0.00 H new ATOM 1016 N ASP A 128 68.064 18.292 -4.068 1.00 0.00 N ATOM 1017 CA ASP A 128 67.782 17.652 -2.786 1.00 0.00 C ATOM 1018 C ASP A 128 68.384 16.250 -2.711 1.00 0.00 C ATOM 1019 O ASP A 128 67.970 15.432 -1.889 1.00 0.00 O ATOM 1020 CB ASP A 128 66.272 17.580 -2.571 1.00 0.00 C ATOM 1021 CG ASP A 128 65.722 18.975 -2.295 1.00 0.00 C ATOM 1022 OD1 ASP A 128 66.518 19.863 -2.035 1.00 0.00 O ATOM 1023 OD2 ASP A 128 64.514 19.135 -2.346 1.00 0.00 O ATOM 0 H ASP A 128 67.543 17.909 -4.857 1.00 0.00 H new ATOM 0 HA ASP A 128 68.241 18.253 -2.001 1.00 0.00 H new ATOM 0 HB2 ASP A 128 65.790 17.157 -3.452 1.00 0.00 H new ATOM 0 HB3 ASP A 128 66.046 16.918 -1.735 1.00 0.00 H new ATOM 1028 N ILE A 129 69.354 15.972 -3.568 1.00 0.00 N ATOM 1029 CA ILE A 129 69.996 14.659 -3.573 1.00 0.00 C ATOM 1030 C ILE A 129 70.625 14.364 -2.217 1.00 0.00 C ATOM 1031 O ILE A 129 70.422 15.119 -1.264 1.00 0.00 O ATOM 1032 CB ILE A 129 71.074 14.600 -4.657 1.00 0.00 C ATOM 1033 CG1 ILE A 129 71.899 15.890 -4.620 1.00 0.00 C ATOM 1034 CG2 ILE A 129 70.409 14.431 -6.025 1.00 0.00 C ATOM 1035 CD1 ILE A 129 73.306 15.630 -5.164 1.00 0.00 C ATOM 0 H ILE A 129 69.713 16.627 -4.263 1.00 0.00 H new ATOM 0 HA ILE A 129 69.233 13.909 -3.781 1.00 0.00 H new ATOM 0 HB ILE A 129 71.735 13.752 -4.480 1.00 0.00 H new ATOM 0 HG12 ILE A 129 71.408 16.662 -5.213 1.00 0.00 H new ATOM 0 HG13 ILE A 129 71.959 16.263 -3.598 1.00 0.00 H new ATOM 0 HG21 ILE A 129 71.175 14.389 -6.799 1.00 0.00 H new ATOM 0 HG22 ILE A 129 69.830 13.508 -6.037 1.00 0.00 H new ATOM 0 HG23 ILE A 129 69.748 15.276 -6.215 1.00 0.00 H new ATOM 0 HD11 ILE A 129 73.884 16.553 -5.133 1.00 0.00 H new ATOM 0 HD12 ILE A 129 73.798 14.873 -4.553 1.00 0.00 H new ATOM 0 HD13 ILE A 129 73.239 15.278 -6.193 1.00 0.00 H new ATOM 1047 N VAL A 130 71.378 13.257 -2.145 1.00 0.00 N ATOM 1048 CA VAL A 130 72.040 12.849 -0.909 1.00 0.00 C ATOM 1049 C VAL A 130 72.590 14.052 -0.178 1.00 0.00 C ATOM 1050 O VAL A 130 73.510 14.701 -0.660 1.00 0.00 O ATOM 1051 CB VAL A 130 73.187 11.883 -1.205 1.00 0.00 C ATOM 1052 CG1 VAL A 130 73.833 12.234 -2.555 1.00 0.00 C ATOM 1053 CG2 VAL A 130 74.243 11.982 -0.095 1.00 0.00 C ATOM 0 H VAL A 130 71.541 12.630 -2.933 1.00 0.00 H new ATOM 0 HA VAL A 130 71.298 12.351 -0.285 1.00 0.00 H new ATOM 0 HB VAL A 130 72.794 10.867 -1.247 1.00 0.00 H new ATOM 0 HG11 VAL A 130 74.649 11.541 -2.759 1.00 0.00 H new ATOM 0 HG12 VAL A 130 73.087 12.158 -3.346 1.00 0.00 H new ATOM 0 HG13 VAL A 130 74.221 13.252 -2.519 1.00 0.00 H new ATOM 0 HG21 VAL A 130 75.060 11.293 -0.308 1.00 0.00 H new ATOM 0 HG22 VAL A 130 74.630 13.000 -0.050 1.00 0.00 H new ATOM 0 HG23 VAL A 130 73.790 11.724 0.862 1.00 0.00 H new ATOM 1063 N GLU A 131 71.989 14.334 0.974 1.00 0.00 N ATOM 1064 CA GLU A 131 72.368 15.472 1.809 1.00 0.00 C ATOM 1065 C GLU A 131 71.309 15.745 2.854 1.00 0.00 C ATOM 1066 O GLU A 131 71.600 16.279 3.925 1.00 0.00 O ATOM 1067 CB GLU A 131 72.476 16.731 0.968 1.00 0.00 C ATOM 1068 CG GLU A 131 73.947 17.076 0.763 1.00 0.00 C ATOM 1069 CD GLU A 131 74.117 17.975 -0.457 1.00 0.00 C ATOM 1070 OE1 GLU A 131 74.091 17.454 -1.561 1.00 0.00 O ATOM 1071 OE2 GLU A 131 74.272 19.170 -0.271 1.00 0.00 O ATOM 0 H GLU A 131 71.223 13.779 1.357 1.00 0.00 H new ATOM 0 HA GLU A 131 73.321 15.224 2.275 1.00 0.00 H new ATOM 0 HB2 GLU A 131 71.988 16.582 0.005 1.00 0.00 H new ATOM 0 HB3 GLU A 131 71.962 17.556 1.461 1.00 0.00 H new ATOM 0 HG2 GLU A 131 74.336 17.577 1.649 1.00 0.00 H new ATOM 0 HG3 GLU A 131 74.527 16.162 0.633 1.00 0.00 H new ATOM 1078 N ASN A 132 70.070 15.423 2.520 1.00 0.00 N ATOM 1079 CA ASN A 132 68.980 15.697 3.425 1.00 0.00 C ATOM 1080 C ASN A 132 68.783 14.543 4.396 1.00 0.00 C ATOM 1081 O ASN A 132 68.200 13.516 4.048 1.00 0.00 O ATOM 1082 CB ASN A 132 67.700 15.935 2.630 1.00 0.00 C ATOM 1083 CG ASN A 132 67.942 17.017 1.587 1.00 0.00 C ATOM 1084 OD1 ASN A 132 68.330 16.676 0.389 1.00 0.00 O flip ATOM 1085 ND2 ASN A 132 67.804 18.205 1.878 1.00 0.00 N flip ATOM 0 H ASN A 132 69.802 14.979 1.642 1.00 0.00 H new ATOM 0 HA ASN A 132 69.221 16.591 4.000 1.00 0.00 H new ATOM 0 HB2 ASN A 132 67.384 15.012 2.145 1.00 0.00 H new ATOM 0 HB3 ASN A 132 66.894 16.235 3.300 1.00 0.00 H new ATOM 0 HD21 ASN A 132 67.500 18.469 2.815 1.00 0.00 H new ATOM 0 HD22 ASN A 132 67.993 18.926 1.182 1.00 0.00 H new ATOM 1092 N TYR A 133 69.280 14.716 5.615 1.00 0.00 N ATOM 1093 CA TYR A 133 69.162 13.692 6.624 1.00 0.00 C ATOM 1094 C TYR A 133 68.159 14.108 7.697 1.00 0.00 C ATOM 1095 O TYR A 133 68.067 15.284 8.053 1.00 0.00 O ATOM 1096 CB TYR A 133 70.529 13.459 7.257 1.00 0.00 C ATOM 1097 CG TYR A 133 71.071 14.749 7.821 1.00 0.00 C ATOM 1098 CD1 TYR A 133 70.761 15.107 9.130 1.00 0.00 C ATOM 1099 CD2 TYR A 133 71.889 15.576 7.042 1.00 0.00 C ATOM 1100 CE1 TYR A 133 71.263 16.296 9.673 1.00 0.00 C ATOM 1101 CE2 TYR A 133 72.394 16.767 7.581 1.00 0.00 C ATOM 1102 CZ TYR A 133 72.081 17.126 8.897 1.00 0.00 C ATOM 1103 OH TYR A 133 72.580 18.297 9.432 1.00 0.00 O ATOM 0 H TYR A 133 69.767 15.559 5.920 1.00 0.00 H new ATOM 0 HA TYR A 133 68.806 12.772 6.160 1.00 0.00 H new ATOM 0 HB2 TYR A 133 70.449 12.714 8.048 1.00 0.00 H new ATOM 0 HB3 TYR A 133 71.219 13.061 6.513 1.00 0.00 H new ATOM 0 HD1 TYR A 133 70.131 14.466 9.729 1.00 0.00 H new ATOM 0 HD2 TYR A 133 72.131 15.297 6.027 1.00 0.00 H new ATOM 0 HE1 TYR A 133 71.020 16.572 10.688 1.00 0.00 H new ATOM 0 HE2 TYR A 133 73.024 17.407 6.981 1.00 0.00 H new ATOM 0 HH TYR A 133 73.130 18.755 8.762 1.00 0.00 H new ATOM 1113 N PHE A 134 67.406 13.138 8.204 1.00 0.00 N ATOM 1114 CA PHE A 134 66.413 13.412 9.224 1.00 0.00 C ATOM 1115 C PHE A 134 66.860 12.853 10.572 1.00 0.00 C ATOM 1116 O PHE A 134 67.384 13.582 11.414 1.00 0.00 O ATOM 1117 CB PHE A 134 65.085 12.780 8.810 1.00 0.00 C ATOM 1118 CG PHE A 134 64.186 13.830 8.207 1.00 0.00 C ATOM 1119 CD1 PHE A 134 63.868 13.772 6.848 1.00 0.00 C ATOM 1120 CD2 PHE A 134 63.672 14.858 9.006 1.00 0.00 C ATOM 1121 CE1 PHE A 134 63.033 14.743 6.282 1.00 0.00 C ATOM 1122 CE2 PHE A 134 62.837 15.830 8.441 1.00 0.00 C ATOM 1123 CZ PHE A 134 62.518 15.773 7.079 1.00 0.00 C ATOM 0 H PHE A 134 67.467 12.159 7.923 1.00 0.00 H new ATOM 0 HA PHE A 134 66.292 14.490 9.326 1.00 0.00 H new ATOM 0 HB2 PHE A 134 65.261 11.981 8.089 1.00 0.00 H new ATOM 0 HB3 PHE A 134 64.601 12.328 9.676 1.00 0.00 H new ATOM 0 HD1 PHE A 134 64.266 12.978 6.234 1.00 0.00 H new ATOM 0 HD2 PHE A 134 63.919 14.901 10.056 1.00 0.00 H new ATOM 0 HE1 PHE A 134 62.786 14.698 5.232 1.00 0.00 H new ATOM 0 HE2 PHE A 134 62.439 16.624 9.056 1.00 0.00 H new ATOM 0 HZ PHE A 134 61.875 16.523 6.643 1.00 0.00 H new ATOM 1133 N MET A 135 66.654 11.554 10.765 1.00 0.00 N ATOM 1134 CA MET A 135 67.041 10.901 12.007 1.00 0.00 C ATOM 1135 C MET A 135 67.516 9.478 11.735 1.00 0.00 C ATOM 1136 O MET A 135 66.958 8.778 10.890 1.00 0.00 O ATOM 1137 CB MET A 135 65.858 10.874 12.967 1.00 0.00 C ATOM 1138 CG MET A 135 66.333 10.424 14.349 1.00 0.00 C ATOM 1139 SD MET A 135 67.436 11.671 15.063 1.00 0.00 S ATOM 1140 CE MET A 135 67.975 10.702 16.494 1.00 0.00 C ATOM 0 H MET A 135 66.222 10.936 10.078 1.00 0.00 H new ATOM 0 HA MET A 135 67.859 11.464 12.457 1.00 0.00 H new ATOM 0 HB2 MET A 135 65.405 11.863 13.031 1.00 0.00 H new ATOM 0 HB3 MET A 135 65.090 10.195 12.596 1.00 0.00 H new ATOM 0 HG2 MET A 135 65.476 10.267 15.004 1.00 0.00 H new ATOM 0 HG3 MET A 135 66.853 9.469 14.271 1.00 0.00 H new ATOM 0 HE1 MET A 135 68.676 11.289 17.088 1.00 0.00 H new ATOM 0 HE2 MET A 135 67.110 10.443 17.104 1.00 0.00 H new ATOM 0 HE3 MET A 135 68.464 9.790 16.152 1.00 0.00 H new ATOM 1150 N ARG A 136 68.552 9.057 12.451 1.00 0.00 N ATOM 1151 CA ARG A 136 69.095 7.716 12.269 1.00 0.00 C ATOM 1152 C ARG A 136 68.393 6.720 13.186 1.00 0.00 C ATOM 1153 O ARG A 136 69.036 5.885 13.822 1.00 0.00 O ATOM 1154 CB ARG A 136 70.593 7.716 12.570 1.00 0.00 C ATOM 1155 CG ARG A 136 71.301 8.680 11.620 1.00 0.00 C ATOM 1156 CD ARG A 136 72.805 8.419 11.668 1.00 0.00 C ATOM 1157 NE ARG A 136 73.318 8.654 13.015 1.00 0.00 N ATOM 1158 CZ ARG A 136 74.563 8.316 13.361 1.00 0.00 C ATOM 1159 NH1 ARG A 136 75.370 7.756 12.496 1.00 0.00 N ATOM 1160 NH2 ARG A 136 74.979 8.546 14.575 1.00 0.00 N ATOM 0 H ARG A 136 69.029 9.618 13.156 1.00 0.00 H new ATOM 0 HA ARG A 136 68.929 7.417 11.234 1.00 0.00 H new ATOM 0 HB2 ARG A 136 70.767 8.013 13.604 1.00 0.00 H new ATOM 0 HB3 ARG A 136 70.998 6.711 12.455 1.00 0.00 H new ATOM 0 HG2 ARG A 136 70.929 8.547 10.604 1.00 0.00 H new ATOM 0 HG3 ARG A 136 71.089 9.711 11.905 1.00 0.00 H new ATOM 0 HD2 ARG A 136 73.012 7.392 11.367 1.00 0.00 H new ATOM 0 HD3 ARG A 136 73.317 9.069 10.958 1.00 0.00 H new ATOM 0 HE ARG A 136 72.710 9.088 13.710 1.00 0.00 H new ATOM 0 HH11 ARG A 136 75.050 7.573 11.545 1.00 0.00 H new ATOM 0 HH12 ARG A 136 76.318 7.503 12.773 1.00 0.00 H new ATOM 0 HH21 ARG A 136 74.355 8.982 15.254 1.00 0.00 H new ATOM 0 HH22 ARG A 136 75.929 8.290 14.846 1.00 0.00 H new ATOM 1174 N ASP A 137 67.069 6.815 13.248 1.00 0.00 N ATOM 1175 CA ASP A 137 66.289 5.914 14.089 1.00 0.00 C ATOM 1176 C ASP A 137 66.056 4.582 13.381 1.00 0.00 C ATOM 1177 O ASP A 137 65.921 4.531 12.159 1.00 0.00 O ATOM 1178 CB ASP A 137 64.949 6.549 14.441 1.00 0.00 C ATOM 1179 CG ASP A 137 65.158 7.708 15.408 1.00 0.00 C ATOM 1180 OD1 ASP A 137 66.248 7.820 15.942 1.00 0.00 O ATOM 1181 OD2 ASP A 137 64.220 8.465 15.605 1.00 0.00 O ATOM 0 H ASP A 137 66.518 7.500 12.731 1.00 0.00 H new ATOM 0 HA ASP A 137 66.851 5.731 15.005 1.00 0.00 H new ATOM 0 HB2 ASP A 137 64.457 6.905 13.536 1.00 0.00 H new ATOM 0 HB3 ASP A 137 64.291 5.805 14.890 1.00 0.00 H new ATOM 1186 N SER A 138 66.013 3.505 14.159 1.00 0.00 N ATOM 1187 CA SER A 138 65.800 2.174 13.604 1.00 0.00 C ATOM 1188 C SER A 138 64.921 1.330 14.525 1.00 0.00 C ATOM 1189 O SER A 138 64.218 0.427 14.071 1.00 0.00 O ATOM 1190 CB SER A 138 67.134 1.484 13.410 1.00 0.00 C ATOM 1191 OG SER A 138 67.634 1.068 14.670 1.00 0.00 O ATOM 0 H SER A 138 66.123 3.528 15.173 1.00 0.00 H new ATOM 0 HA SER A 138 65.294 2.281 12.645 1.00 0.00 H new ATOM 0 HB2 SER A 138 67.019 0.624 12.750 1.00 0.00 H new ATOM 0 HB3 SER A 138 67.841 2.162 12.931 1.00 0.00 H new ATOM 0 HG SER A 138 67.597 0.091 14.730 1.00 0.00 H new ATOM 1197 N GLY A 139 64.973 1.626 15.823 1.00 0.00 N ATOM 1198 CA GLY A 139 64.191 0.891 16.796 1.00 0.00 C ATOM 1199 C GLY A 139 65.045 0.515 17.999 1.00 0.00 C ATOM 1200 O GLY A 139 66.175 0.979 18.151 1.00 0.00 O ATOM 0 H GLY A 139 65.549 2.369 16.217 1.00 0.00 H new ATOM 0 HA2 GLY A 139 63.343 1.495 17.120 1.00 0.00 H new ATOM 0 HA3 GLY A 139 63.784 -0.010 16.337 1.00 0.00 H new ATOM 1204 N SER A 140 64.494 -0.340 18.839 1.00 0.00 N ATOM 1205 CA SER A 140 65.199 -0.800 20.027 1.00 0.00 C ATOM 1206 C SER A 140 66.388 -1.676 19.639 1.00 0.00 C ATOM 1207 O SER A 140 67.221 -2.016 20.479 1.00 0.00 O ATOM 1208 CB SER A 140 64.251 -1.589 20.932 1.00 0.00 C ATOM 1209 OG SER A 140 63.828 -2.766 20.258 1.00 0.00 O ATOM 0 H SER A 140 63.560 -0.732 18.723 1.00 0.00 H new ATOM 0 HA SER A 140 65.566 0.073 20.567 1.00 0.00 H new ATOM 0 HB2 SER A 140 64.753 -1.850 21.864 1.00 0.00 H new ATOM 0 HB3 SER A 140 63.388 -0.977 21.195 1.00 0.00 H new ATOM 0 HG SER A 140 63.222 -3.274 20.836 1.00 0.00 H new ATOM 1215 N LYS A 141 66.459 -2.039 18.361 1.00 0.00 N ATOM 1216 CA LYS A 141 67.545 -2.872 17.869 1.00 0.00 C ATOM 1217 C LYS A 141 68.883 -2.175 18.088 1.00 0.00 C ATOM 1218 O LYS A 141 69.909 -2.829 18.277 1.00 0.00 O ATOM 1219 CB LYS A 141 67.351 -3.144 16.374 1.00 0.00 C ATOM 1220 CG LYS A 141 66.036 -3.899 16.138 1.00 0.00 C ATOM 1221 CD LYS A 141 66.107 -5.302 16.751 1.00 0.00 C ATOM 1222 CE LYS A 141 64.818 -6.060 16.431 1.00 0.00 C ATOM 1223 NZ LYS A 141 64.885 -7.425 17.026 1.00 0.00 N ATOM 0 H LYS A 141 65.778 -1.769 17.651 1.00 0.00 H new ATOM 0 HA LYS A 141 67.540 -3.815 18.416 1.00 0.00 H new ATOM 0 HB2 LYS A 141 67.342 -2.203 15.824 1.00 0.00 H new ATOM 0 HB3 LYS A 141 68.188 -3.729 15.992 1.00 0.00 H new ATOM 0 HG2 LYS A 141 65.207 -3.345 16.578 1.00 0.00 H new ATOM 0 HG3 LYS A 141 65.838 -3.972 15.069 1.00 0.00 H new ATOM 0 HD2 LYS A 141 66.967 -5.841 16.355 1.00 0.00 H new ATOM 0 HD3 LYS A 141 66.243 -5.233 17.830 1.00 0.00 H new ATOM 0 HE2 LYS A 141 63.958 -5.520 16.828 1.00 0.00 H new ATOM 0 HE3 LYS A 141 64.682 -6.128 15.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 141 64.009 -7.942 16.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 141 65.697 -7.938 16.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 141 64.996 -7.349 18.057 1.00 0.00 H new ATOM 1237 N ALA A 142 68.868 -0.845 18.064 1.00 0.00 N ATOM 1238 CA ALA A 142 70.095 -0.083 18.266 1.00 0.00 C ATOM 1239 C ALA A 142 70.682 -0.371 19.645 1.00 0.00 C ATOM 1240 O ALA A 142 69.954 -0.458 20.635 1.00 0.00 O ATOM 1241 CB ALA A 142 69.807 1.413 18.139 1.00 0.00 C ATOM 0 H ALA A 142 68.033 -0.280 17.909 1.00 0.00 H new ATOM 0 HA ALA A 142 70.815 -0.382 17.504 1.00 0.00 H new ATOM 0 HB1 ALA A 142 70.728 1.975 18.291 1.00 0.00 H new ATOM 0 HB2 ALA A 142 69.413 1.625 17.145 1.00 0.00 H new ATOM 0 HB3 ALA A 142 69.074 1.707 18.890 1.00 0.00 H new ATOM 1247 N ALA A 143 72.001 -0.519 19.702 1.00 0.00 N ATOM 1248 CA ALA A 143 72.676 -0.796 20.966 1.00 0.00 C ATOM 1249 C ALA A 143 74.129 -0.331 20.912 1.00 0.00 C ATOM 1250 O ALA A 143 74.737 -0.286 19.843 1.00 0.00 O ATOM 1251 CB ALA A 143 72.630 -2.296 21.264 1.00 0.00 C ATOM 0 H ALA A 143 72.621 -0.453 18.895 1.00 0.00 H new ATOM 0 HA ALA A 143 72.161 -0.252 21.758 1.00 0.00 H new ATOM 0 HB1 ALA A 143 73.136 -2.495 22.209 1.00 0.00 H new ATOM 0 HB2 ALA A 143 71.592 -2.622 21.332 1.00 0.00 H new ATOM 0 HB3 ALA A 143 73.129 -2.842 20.463 1.00 0.00 H new ATOM 1257 N THR A 144 74.680 0.009 22.073 1.00 0.00 N ATOM 1258 CA THR A 144 76.065 0.465 22.143 1.00 0.00 C ATOM 1259 C THR A 144 77.021 -0.690 21.863 1.00 0.00 C ATOM 1260 O THR A 144 78.145 -0.481 21.405 1.00 0.00 O ATOM 1261 CB THR A 144 76.356 1.050 23.527 1.00 0.00 C ATOM 1262 OG1 THR A 144 76.122 0.058 24.516 1.00 0.00 O ATOM 1263 CG2 THR A 144 75.443 2.251 23.777 1.00 0.00 C ATOM 0 H THR A 144 74.195 -0.022 22.970 1.00 0.00 H new ATOM 0 HA THR A 144 76.213 1.237 21.388 1.00 0.00 H new ATOM 0 HB THR A 144 77.396 1.373 23.576 1.00 0.00 H new ATOM 0 HG1 THR A 144 76.309 0.430 25.403 1.00 0.00 H new ATOM 0 HG21 THR A 144 75.651 2.667 24.763 1.00 0.00 H new ATOM 0 HG22 THR A 144 75.625 3.011 23.017 1.00 0.00 H new ATOM 0 HG23 THR A 144 74.402 1.932 23.730 1.00 0.00 H new ATOM 1271 N ASP A 145 76.568 -1.908 22.141 1.00 0.00 N ATOM 1272 CA ASP A 145 77.393 -3.089 21.913 1.00 0.00 C ATOM 1273 C ASP A 145 76.520 -4.280 21.528 1.00 0.00 C ATOM 1274 O ASP A 145 76.419 -5.198 22.324 1.00 0.00 O ATOM 1275 CB ASP A 145 78.187 -3.422 23.180 1.00 0.00 C ATOM 1276 CG ASP A 145 79.133 -4.592 22.922 1.00 0.00 C ATOM 1277 OD1 ASP A 145 79.089 -5.141 21.833 1.00 0.00 O ATOM 1278 OD2 ASP A 145 79.890 -4.924 23.819 1.00 0.00 O ATOM 1279 OXT ASP A 145 75.965 -4.255 20.441 1.00 0.00 O ATOM 0 H ASP A 145 75.642 -2.103 22.521 1.00 0.00 H new ATOM 0 HA ASP A 145 78.084 -2.879 21.097 1.00 0.00 H new ATOM 0 HB2 ASP A 145 78.756 -2.549 23.500 1.00 0.00 H new ATOM 0 HB3 ASP A 145 77.503 -3.671 23.991 1.00 0.00 H new TER 1284 ASP A 145 HETATM 1285 ZN ZN A 201 61.991 8.330 -6.368 1.00 0.00 ZN HETATM 1286 ZN ZN A 202 68.535 0.860 1.248 1.00 0.00 ZN