USER MOD reduce.3.24.130724 H: found=0, std=0, add=666, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 667 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 12 THR OG1 : rot 161:sc= -0.0431 USER MOD Set 1.2: A 36 LYS NZ :NH3+ -110:sc= -0.203 (180deg=-1.68) USER MOD Single : A 9 LYS NZ :NH3+ -160:sc= -0.0292 (180deg=-0.375) USER MOD Single : A 16 THR OG1 : rot -46:sc= 0.0252 USER MOD Single : A 20 SER OG : rot -72:sc= 0.0176 USER MOD Single : A 27 LYS NZ :NH3+ -149:sc= 0.0672 (180deg=-2.73!) USER MOD Single : A 38 THR OG1 : rot 180:sc= -2.84! USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 4:sc= 0.471 USER MOD Single : A 44 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.121) USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.178 USER MOD Single : A 46 SER OG : rot 180:sc= -0.244 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -0.845 K(o=-0.84,f=-0.22) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ -114:sc= -5.25! (180deg=-8.15!) USER MOD Single : A 60 LYS NZ :NH3+ -141:sc= -1.81 (180deg=-3.55) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.0308 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot 180:sc= -0.694 USER MOD Single : A 84 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.272) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 83 N ALA A 7 -10.923 0.713 -8.104 1.00 0.00 N ATOM 84 CA ALA A 7 -9.588 0.042 -8.172 1.00 0.00 C ATOM 85 C ALA A 7 -9.328 -0.588 -6.799 1.00 0.00 C ATOM 86 O ALA A 7 -9.742 -1.702 -6.545 1.00 0.00 O ATOM 87 CB ALA A 7 -8.483 1.048 -8.533 1.00 0.00 C ATOM 0 HA ALA A 7 -9.583 -0.721 -8.951 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -7.523 0.534 -8.576 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -8.700 1.494 -9.504 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -8.442 1.831 -7.776 1.00 0.00 H new ATOM 93 N LEU A 8 -8.698 0.122 -5.896 1.00 0.00 N ATOM 94 CA LEU A 8 -8.477 -0.433 -4.527 1.00 0.00 C ATOM 95 C LEU A 8 -9.020 0.572 -3.503 1.00 0.00 C ATOM 96 O LEU A 8 -9.044 0.311 -2.316 1.00 0.00 O ATOM 97 CB LEU A 8 -6.983 -0.700 -4.276 1.00 0.00 C ATOM 98 CG LEU A 8 -6.117 0.479 -4.739 1.00 0.00 C ATOM 99 CD1 LEU A 8 -6.362 1.698 -3.843 1.00 0.00 C ATOM 100 CD2 LEU A 8 -4.643 0.068 -4.644 1.00 0.00 C ATOM 0 H LEU A 8 -8.328 1.060 -6.048 1.00 0.00 H new ATOM 0 HA LEU A 8 -9.000 -1.384 -4.431 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -6.818 -0.880 -3.214 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -6.680 -1.605 -4.803 1.00 0.00 H new ATOM 0 HG LEU A 8 -6.374 0.740 -5.766 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -5.742 2.528 -4.181 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -7.412 1.984 -3.897 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -6.106 1.450 -2.813 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -4.013 0.896 -4.970 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -4.402 -0.187 -3.612 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -4.465 -0.797 -5.283 1.00 0.00 H new ATOM 112 N LYS A 9 -9.440 1.730 -3.971 1.00 0.00 N ATOM 113 CA LYS A 9 -9.980 2.791 -3.064 1.00 0.00 C ATOM 114 C LYS A 9 -10.994 2.194 -2.076 1.00 0.00 C ATOM 115 O LYS A 9 -11.376 1.043 -2.177 1.00 0.00 O ATOM 116 CB LYS A 9 -10.666 3.867 -3.915 1.00 0.00 C ATOM 117 CG LYS A 9 -10.887 5.136 -3.083 1.00 0.00 C ATOM 118 CD LYS A 9 -11.242 6.303 -4.009 1.00 0.00 C ATOM 119 CE LYS A 9 -11.177 7.619 -3.228 1.00 0.00 C ATOM 120 NZ LYS A 9 -12.008 7.509 -1.995 1.00 0.00 N ATOM 0 H LYS A 9 -9.429 1.984 -4.959 1.00 0.00 H new ATOM 0 HA LYS A 9 -9.159 3.227 -2.494 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -10.054 4.097 -4.787 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -11.621 3.495 -4.285 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -11.688 4.975 -2.361 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -9.988 5.371 -2.514 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -10.551 6.334 -4.852 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -12.241 6.162 -4.421 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -10.144 7.846 -2.964 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -11.536 8.440 -3.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -12.244 8.461 -1.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -12.884 6.992 -2.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -11.476 6.997 -1.263 1.00 0.00 H new ATOM 134 N GLY A 10 -11.437 2.976 -1.126 1.00 0.00 N ATOM 135 CA GLY A 10 -12.422 2.469 -0.127 1.00 0.00 C ATOM 136 C GLY A 10 -11.670 1.977 1.110 1.00 0.00 C ATOM 137 O GLY A 10 -12.257 1.708 2.141 1.00 0.00 O ATOM 0 H GLY A 10 -11.157 3.949 -0.999 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -13.121 3.259 0.147 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -13.010 1.658 -0.557 1.00 0.00 H new ATOM 141 N LEU A 11 -10.369 1.860 1.008 1.00 0.00 N ATOM 142 CA LEU A 11 -9.553 1.386 2.165 1.00 0.00 C ATOM 143 C LEU A 11 -8.409 2.366 2.420 1.00 0.00 C ATOM 144 O LEU A 11 -8.229 3.336 1.706 1.00 0.00 O ATOM 145 CB LEU A 11 -8.977 0.000 1.852 1.00 0.00 C ATOM 146 CG LEU A 11 -10.112 -1.025 1.749 1.00 0.00 C ATOM 147 CD1 LEU A 11 -10.451 -1.270 0.275 1.00 0.00 C ATOM 148 CD2 LEU A 11 -9.673 -2.341 2.396 1.00 0.00 C ATOM 0 H LEU A 11 -9.835 2.075 0.166 1.00 0.00 H new ATOM 0 HA LEU A 11 -10.184 1.326 3.052 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -8.418 0.032 0.917 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -8.277 -0.297 2.632 1.00 0.00 H new ATOM 0 HG LEU A 11 -10.992 -0.642 2.265 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -11.258 -1.999 0.204 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -10.766 -0.334 -0.186 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -9.571 -1.652 -0.242 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -10.480 -3.070 2.323 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -8.791 -2.723 1.881 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -9.434 -2.169 3.445 1.00 0.00 H new ATOM 160 N THR A 12 -7.638 2.114 3.442 1.00 0.00 N ATOM 161 CA THR A 12 -6.499 3.013 3.775 1.00 0.00 C ATOM 162 C THR A 12 -5.213 2.184 3.840 1.00 0.00 C ATOM 163 O THR A 12 -5.242 1.005 4.137 1.00 0.00 O ATOM 164 CB THR A 12 -6.772 3.668 5.134 1.00 0.00 C ATOM 165 OG1 THR A 12 -7.803 4.634 4.990 1.00 0.00 O ATOM 166 CG2 THR A 12 -5.503 4.351 5.657 1.00 0.00 C ATOM 0 H THR A 12 -7.751 1.315 4.066 1.00 0.00 H new ATOM 0 HA THR A 12 -6.388 3.787 3.015 1.00 0.00 H new ATOM 0 HB THR A 12 -7.079 2.901 5.844 1.00 0.00 H new ATOM 0 HG1 THR A 12 -8.191 4.832 5.868 1.00 0.00 H new ATOM 0 HG21 THR A 12 -5.710 4.812 6.623 1.00 0.00 H new ATOM 0 HG22 THR A 12 -4.712 3.610 5.771 1.00 0.00 H new ATOM 0 HG23 THR A 12 -5.184 5.117 4.950 1.00 0.00 H new ATOM 174 N PHE A 13 -4.089 2.791 3.561 1.00 0.00 N ATOM 175 CA PHE A 13 -2.798 2.043 3.605 1.00 0.00 C ATOM 176 C PHE A 13 -1.834 2.761 4.552 1.00 0.00 C ATOM 177 O PHE A 13 -1.715 3.970 4.530 1.00 0.00 O ATOM 178 CB PHE A 13 -2.194 1.984 2.198 1.00 0.00 C ATOM 179 CG PHE A 13 -2.954 0.977 1.362 1.00 0.00 C ATOM 180 CD1 PHE A 13 -2.827 -0.394 1.625 1.00 0.00 C ATOM 181 CD2 PHE A 13 -3.784 1.412 0.319 1.00 0.00 C ATOM 182 CE1 PHE A 13 -3.529 -1.325 0.849 1.00 0.00 C ATOM 183 CE2 PHE A 13 -4.485 0.478 -0.455 1.00 0.00 C ATOM 184 CZ PHE A 13 -4.357 -0.888 -0.191 1.00 0.00 C ATOM 0 H PHE A 13 -4.010 3.775 3.304 1.00 0.00 H new ATOM 0 HA PHE A 13 -2.971 1.028 3.963 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -2.239 2.968 1.730 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -1.142 1.705 2.254 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -2.187 -0.733 2.427 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -3.883 2.467 0.112 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -3.431 -2.381 1.053 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -5.125 0.814 -1.257 1.00 0.00 H new ATOM 0 HZ PHE A 13 -4.897 -1.607 -0.790 1.00 0.00 H new ATOM 194 N VAL A 14 -1.153 2.024 5.389 1.00 0.00 N ATOM 195 CA VAL A 14 -0.202 2.661 6.351 1.00 0.00 C ATOM 196 C VAL A 14 1.172 1.995 6.241 1.00 0.00 C ATOM 197 O VAL A 14 1.293 0.865 5.810 1.00 0.00 O ATOM 198 CB VAL A 14 -0.728 2.495 7.785 1.00 0.00 C ATOM 199 CG1 VAL A 14 -0.117 3.570 8.685 1.00 0.00 C ATOM 200 CG2 VAL A 14 -2.256 2.628 7.802 1.00 0.00 C ATOM 0 H VAL A 14 -1.213 1.008 5.449 1.00 0.00 H new ATOM 0 HA VAL A 14 -0.114 3.721 6.112 1.00 0.00 H new ATOM 0 HB VAL A 14 -0.448 1.508 8.152 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -0.492 3.450 9.701 1.00 0.00 H new ATOM 0 HG12 VAL A 14 0.968 3.471 8.685 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -0.392 4.556 8.311 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -2.620 2.509 8.822 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -2.540 3.612 7.428 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -2.695 1.858 7.168 1.00 0.00 H new ATOM 210 N ILE A 15 2.203 2.691 6.646 1.00 0.00 N ATOM 211 CA ILE A 15 3.582 2.113 6.594 1.00 0.00 C ATOM 212 C ILE A 15 4.165 2.112 8.006 1.00 0.00 C ATOM 213 O ILE A 15 4.009 3.072 8.738 1.00 0.00 O ATOM 214 CB ILE A 15 4.490 2.968 5.703 1.00 0.00 C ATOM 215 CG1 ILE A 15 3.680 3.604 4.563 1.00 0.00 C ATOM 216 CG2 ILE A 15 5.604 2.088 5.129 1.00 0.00 C ATOM 217 CD1 ILE A 15 3.117 2.520 3.642 1.00 0.00 C ATOM 0 H ILE A 15 2.150 3.641 7.013 1.00 0.00 H new ATOM 0 HA ILE A 15 3.526 1.102 6.189 1.00 0.00 H new ATOM 0 HB ILE A 15 4.927 3.769 6.300 1.00 0.00 H new ATOM 0 HG12 ILE A 15 2.865 4.200 4.975 1.00 0.00 H new ATOM 0 HG13 ILE A 15 4.314 4.283 3.992 1.00 0.00 H new ATOM 0 HG21 ILE A 15 6.253 2.691 4.494 1.00 0.00 H new ATOM 0 HG22 ILE A 15 6.188 1.662 5.945 1.00 0.00 H new ATOM 0 HG23 ILE A 15 5.165 1.284 4.539 1.00 0.00 H new ATOM 0 HD11 ILE A 15 2.545 2.986 2.839 1.00 0.00 H new ATOM 0 HD12 ILE A 15 3.937 1.943 3.216 1.00 0.00 H new ATOM 0 HD13 ILE A 15 2.466 1.858 4.214 1.00 0.00 H new ATOM 229 N THR A 16 4.817 1.049 8.414 1.00 0.00 N ATOM 230 CA THR A 16 5.389 1.000 9.793 1.00 0.00 C ATOM 231 C THR A 16 6.345 2.181 10.034 1.00 0.00 C ATOM 232 O THR A 16 6.937 2.297 11.091 1.00 0.00 O ATOM 233 CB THR A 16 6.155 -0.325 9.957 1.00 0.00 C ATOM 234 OG1 THR A 16 6.251 -0.651 11.336 1.00 0.00 O ATOM 235 CG2 THR A 16 7.561 -0.193 9.363 1.00 0.00 C ATOM 0 H THR A 16 4.977 0.214 7.850 1.00 0.00 H new ATOM 0 HA THR A 16 4.579 1.066 10.519 1.00 0.00 H new ATOM 0 HB THR A 16 5.618 -1.115 9.432 1.00 0.00 H new ATOM 0 HG1 THR A 16 6.526 0.142 11.841 1.00 0.00 H new ATOM 0 HG21 THR A 16 8.097 -1.135 9.483 1.00 0.00 H new ATOM 0 HG22 THR A 16 7.487 0.050 8.303 1.00 0.00 H new ATOM 0 HG23 THR A 16 8.101 0.600 9.880 1.00 0.00 H new ATOM 243 N GLY A 17 6.516 3.047 9.067 1.00 0.00 N ATOM 244 CA GLY A 17 7.447 4.198 9.250 1.00 0.00 C ATOM 245 C GLY A 17 8.873 3.656 9.284 1.00 0.00 C ATOM 246 O GLY A 17 9.761 4.229 9.886 1.00 0.00 O ATOM 0 H GLY A 17 6.051 3.005 8.160 1.00 0.00 H new ATOM 0 HA2 GLY A 17 7.332 4.914 8.436 1.00 0.00 H new ATOM 0 HA3 GLY A 17 7.219 4.728 10.175 1.00 0.00 H new ATOM 250 N GLU A 18 9.084 2.542 8.634 1.00 0.00 N ATOM 251 CA GLU A 18 10.433 1.910 8.599 1.00 0.00 C ATOM 252 C GLU A 18 10.331 0.591 7.831 1.00 0.00 C ATOM 253 O GLU A 18 11.075 -0.340 8.075 1.00 0.00 O ATOM 254 CB GLU A 18 10.916 1.635 10.030 1.00 0.00 C ATOM 255 CG GLU A 18 12.343 2.159 10.199 1.00 0.00 C ATOM 256 CD GLU A 18 12.804 1.924 11.640 1.00 0.00 C ATOM 257 OE1 GLU A 18 12.462 2.730 12.490 1.00 0.00 O ATOM 258 OE2 GLU A 18 13.488 0.940 11.869 1.00 0.00 O ATOM 0 H GLU A 18 8.365 2.036 8.117 1.00 0.00 H new ATOM 0 HA GLU A 18 11.143 2.577 8.109 1.00 0.00 H new ATOM 0 HB2 GLU A 18 10.253 2.118 10.748 1.00 0.00 H new ATOM 0 HB3 GLU A 18 10.884 0.565 10.236 1.00 0.00 H new ATOM 0 HG2 GLU A 18 13.013 1.652 9.504 1.00 0.00 H new ATOM 0 HG3 GLU A 18 12.382 3.222 9.962 1.00 0.00 H new ATOM 265 N LEU A 19 9.403 0.503 6.909 1.00 0.00 N ATOM 266 CA LEU A 19 9.240 -0.757 6.126 1.00 0.00 C ATOM 267 C LEU A 19 10.578 -1.147 5.499 1.00 0.00 C ATOM 268 O LEU A 19 10.776 -2.282 5.128 1.00 0.00 O ATOM 269 CB LEU A 19 8.214 -0.556 5.010 1.00 0.00 C ATOM 270 CG LEU A 19 7.043 -1.525 5.191 1.00 0.00 C ATOM 271 CD1 LEU A 19 5.876 -1.090 4.302 1.00 0.00 C ATOM 272 CD2 LEU A 19 7.485 -2.935 4.788 1.00 0.00 C ATOM 0 H LEU A 19 8.753 1.250 6.667 1.00 0.00 H new ATOM 0 HA LEU A 19 8.897 -1.544 6.798 1.00 0.00 H new ATOM 0 HB2 LEU A 19 7.851 0.472 5.020 1.00 0.00 H new ATOM 0 HB3 LEU A 19 8.684 -0.718 4.040 1.00 0.00 H new ATOM 0 HG LEU A 19 6.728 -1.521 6.234 1.00 0.00 H new ATOM 0 HD11 LEU A 19 5.043 -1.781 4.432 1.00 0.00 H new ATOM 0 HD12 LEU A 19 5.561 -0.085 4.581 1.00 0.00 H new ATOM 0 HD13 LEU A 19 6.192 -1.094 3.259 1.00 0.00 H new ATOM 0 HD21 LEU A 19 6.653 -3.628 4.916 1.00 0.00 H new ATOM 0 HD22 LEU A 19 7.799 -2.934 3.744 1.00 0.00 H new ATOM 0 HD23 LEU A 19 8.318 -3.249 5.417 1.00 0.00 H new ATOM 284 N SER A 20 11.484 -0.199 5.355 1.00 0.00 N ATOM 285 CA SER A 20 12.821 -0.480 4.737 1.00 0.00 C ATOM 286 C SER A 20 12.735 -0.272 3.220 1.00 0.00 C ATOM 287 O SER A 20 13.373 -0.956 2.446 1.00 0.00 O ATOM 288 CB SER A 20 13.277 -1.908 5.067 1.00 0.00 C ATOM 289 OG SER A 20 12.893 -2.798 4.025 1.00 0.00 O ATOM 0 H SER A 20 11.348 0.769 5.645 1.00 0.00 H new ATOM 0 HA SER A 20 13.559 0.209 5.148 1.00 0.00 H new ATOM 0 HB2 SER A 20 14.359 -1.932 5.196 1.00 0.00 H new ATOM 0 HB3 SER A 20 12.837 -2.230 6.011 1.00 0.00 H new ATOM 0 HG SER A 20 11.924 -2.939 4.056 1.00 0.00 H new ATOM 295 N ARG A 21 11.947 0.682 2.797 1.00 0.00 N ATOM 296 CA ARG A 21 11.799 0.955 1.338 1.00 0.00 C ATOM 297 C ARG A 21 11.341 2.413 1.152 1.00 0.00 C ATOM 298 O ARG A 21 11.058 3.095 2.118 1.00 0.00 O ATOM 299 CB ARG A 21 10.750 -0.016 0.773 1.00 0.00 C ATOM 300 CG ARG A 21 9.346 0.579 0.935 1.00 0.00 C ATOM 301 CD ARG A 21 8.297 -0.438 0.483 1.00 0.00 C ATOM 302 NE ARG A 21 7.306 0.238 -0.402 1.00 0.00 N ATOM 303 CZ ARG A 21 6.670 -0.448 -1.309 1.00 0.00 C ATOM 304 NH1 ARG A 21 5.778 -1.328 -0.953 1.00 0.00 N ATOM 305 NH2 ARG A 21 6.924 -0.251 -2.574 1.00 0.00 N ATOM 0 H ARG A 21 11.396 1.288 3.405 1.00 0.00 H new ATOM 0 HA ARG A 21 12.744 0.813 0.813 1.00 0.00 H new ATOM 0 HB2 ARG A 21 10.952 -0.211 -0.280 1.00 0.00 H new ATOM 0 HB3 ARG A 21 10.811 -0.973 1.292 1.00 0.00 H new ATOM 0 HG2 ARG A 21 9.175 0.853 1.976 1.00 0.00 H new ATOM 0 HG3 ARG A 21 9.258 1.492 0.346 1.00 0.00 H new ATOM 0 HD2 ARG A 21 8.776 -1.260 -0.049 1.00 0.00 H new ATOM 0 HD3 ARG A 21 7.794 -0.869 1.349 1.00 0.00 H new ATOM 0 HE ARG A 21 7.126 1.237 -0.298 1.00 0.00 H new ATOM 0 HH11 ARG A 21 5.578 -1.480 0.036 1.00 0.00 H new ATOM 0 HH12 ARG A 21 5.280 -1.865 -1.663 1.00 0.00 H new ATOM 0 HH21 ARG A 21 7.621 0.440 -2.853 1.00 0.00 H new ATOM 0 HH22 ARG A 21 6.426 -0.788 -3.284 1.00 0.00 H new ATOM 319 N PRO A 22 11.258 2.891 -0.073 1.00 0.00 N ATOM 320 CA PRO A 22 10.810 4.291 -0.355 1.00 0.00 C ATOM 321 C PRO A 22 9.308 4.471 -0.084 1.00 0.00 C ATOM 322 O PRO A 22 8.607 5.153 -0.807 1.00 0.00 O ATOM 323 CB PRO A 22 11.135 4.489 -1.839 1.00 0.00 C ATOM 324 CG PRO A 22 11.144 3.119 -2.429 1.00 0.00 C ATOM 325 CD PRO A 22 11.576 2.163 -1.315 1.00 0.00 C ATOM 0 HA PRO A 22 11.304 5.022 0.285 1.00 0.00 H new ATOM 0 HB2 PRO A 22 10.390 5.120 -2.323 1.00 0.00 H new ATOM 0 HB3 PRO A 22 12.100 4.979 -1.968 1.00 0.00 H new ATOM 0 HG2 PRO A 22 10.156 2.853 -2.805 1.00 0.00 H new ATOM 0 HG3 PRO A 22 11.832 3.066 -3.273 1.00 0.00 H new ATOM 0 HD2 PRO A 22 11.038 1.217 -1.371 1.00 0.00 H new ATOM 0 HD3 PRO A 22 12.639 1.930 -1.380 1.00 0.00 H new ATOM 333 N ARG A 23 8.823 3.814 0.940 1.00 0.00 N ATOM 334 CA ARG A 23 7.371 3.861 1.300 1.00 0.00 C ATOM 335 C ARG A 23 6.796 5.281 1.209 1.00 0.00 C ATOM 336 O ARG A 23 5.594 5.453 1.171 1.00 0.00 O ATOM 337 CB ARG A 23 7.203 3.351 2.733 1.00 0.00 C ATOM 338 CG ARG A 23 8.047 4.201 3.692 1.00 0.00 C ATOM 339 CD ARG A 23 7.149 5.200 4.428 1.00 0.00 C ATOM 340 NE ARG A 23 7.991 6.240 5.081 1.00 0.00 N ATOM 341 CZ ARG A 23 7.469 7.031 5.977 1.00 0.00 C ATOM 342 NH1 ARG A 23 6.451 7.786 5.667 1.00 0.00 N ATOM 343 NH2 ARG A 23 7.965 7.068 7.183 1.00 0.00 N ATOM 0 H ARG A 23 9.388 3.232 1.558 1.00 0.00 H new ATOM 0 HA ARG A 23 6.829 3.236 0.590 1.00 0.00 H new ATOM 0 HB2 ARG A 23 6.153 3.394 3.023 1.00 0.00 H new ATOM 0 HB3 ARG A 23 7.508 2.306 2.795 1.00 0.00 H new ATOM 0 HG2 ARG A 23 8.556 3.558 4.410 1.00 0.00 H new ATOM 0 HG3 ARG A 23 8.820 4.733 3.137 1.00 0.00 H new ATOM 0 HD2 ARG A 23 6.456 5.666 3.728 1.00 0.00 H new ATOM 0 HD3 ARG A 23 6.548 4.682 5.175 1.00 0.00 H new ATOM 0 HE ARG A 23 8.975 6.334 4.828 1.00 0.00 H new ATOM 0 HH11 ARG A 23 6.063 7.758 4.724 1.00 0.00 H new ATOM 0 HH12 ARG A 23 6.043 8.405 6.368 1.00 0.00 H new ATOM 0 HH21 ARG A 23 8.761 6.478 7.425 1.00 0.00 H new ATOM 0 HH22 ARG A 23 7.557 7.687 7.884 1.00 0.00 H new ATOM 357 N GLU A 24 7.617 6.295 1.137 1.00 0.00 N ATOM 358 CA GLU A 24 7.072 7.679 1.006 1.00 0.00 C ATOM 359 C GLU A 24 6.739 7.924 -0.468 1.00 0.00 C ATOM 360 O GLU A 24 5.659 8.360 -0.813 1.00 0.00 O ATOM 361 CB GLU A 24 8.112 8.697 1.482 1.00 0.00 C ATOM 362 CG GLU A 24 8.048 8.821 3.007 1.00 0.00 C ATOM 363 CD GLU A 24 7.083 9.946 3.394 1.00 0.00 C ATOM 364 OE1 GLU A 24 5.884 9.734 3.294 1.00 0.00 O ATOM 365 OE2 GLU A 24 7.558 11.001 3.784 1.00 0.00 O ATOM 0 H GLU A 24 8.634 6.227 1.163 1.00 0.00 H new ATOM 0 HA GLU A 24 6.176 7.789 1.617 1.00 0.00 H new ATOM 0 HB2 GLU A 24 9.110 8.384 1.174 1.00 0.00 H new ATOM 0 HB3 GLU A 24 7.925 9.666 1.020 1.00 0.00 H new ATOM 0 HG2 GLU A 24 7.718 7.879 3.444 1.00 0.00 H new ATOM 0 HG3 GLU A 24 9.041 9.027 3.407 1.00 0.00 H new ATOM 372 N GLU A 25 7.677 7.631 -1.330 1.00 0.00 N ATOM 373 CA GLU A 25 7.452 7.821 -2.793 1.00 0.00 C ATOM 374 C GLU A 25 6.177 7.075 -3.201 1.00 0.00 C ATOM 375 O GLU A 25 5.276 7.638 -3.799 1.00 0.00 O ATOM 376 CB GLU A 25 8.648 7.259 -3.567 1.00 0.00 C ATOM 377 CG GLU A 25 8.561 7.682 -5.037 1.00 0.00 C ATOM 378 CD GLU A 25 9.196 9.065 -5.213 1.00 0.00 C ATOM 379 OE1 GLU A 25 10.413 9.135 -5.255 1.00 0.00 O ATOM 380 OE2 GLU A 25 8.454 10.029 -5.302 1.00 0.00 O ATOM 0 H GLU A 25 8.596 7.265 -1.081 1.00 0.00 H new ATOM 0 HA GLU A 25 7.344 8.882 -3.019 1.00 0.00 H new ATOM 0 HB2 GLU A 25 9.578 7.621 -3.130 1.00 0.00 H new ATOM 0 HB3 GLU A 25 8.663 6.172 -3.492 1.00 0.00 H new ATOM 0 HG2 GLU A 25 9.072 6.953 -5.666 1.00 0.00 H new ATOM 0 HG3 GLU A 25 7.520 7.705 -5.358 1.00 0.00 H new ATOM 387 N VAL A 26 6.093 5.812 -2.871 1.00 0.00 N ATOM 388 CA VAL A 26 4.878 5.029 -3.227 1.00 0.00 C ATOM 389 C VAL A 26 3.660 5.654 -2.539 1.00 0.00 C ATOM 390 O VAL A 26 2.585 5.696 -3.097 1.00 0.00 O ATOM 391 CB VAL A 26 5.054 3.570 -2.783 1.00 0.00 C ATOM 392 CG1 VAL A 26 4.939 3.464 -1.259 1.00 0.00 C ATOM 393 CG2 VAL A 26 3.974 2.701 -3.439 1.00 0.00 C ATOM 0 H VAL A 26 6.814 5.292 -2.371 1.00 0.00 H new ATOM 0 HA VAL A 26 4.728 5.047 -4.306 1.00 0.00 H new ATOM 0 HB VAL A 26 6.041 3.223 -3.090 1.00 0.00 H new ATOM 0 HG11 VAL A 26 5.065 2.425 -0.956 1.00 0.00 H new ATOM 0 HG12 VAL A 26 5.712 4.075 -0.792 1.00 0.00 H new ATOM 0 HG13 VAL A 26 3.958 3.817 -0.943 1.00 0.00 H new ATOM 0 HG21 VAL A 26 4.099 1.665 -3.124 1.00 0.00 H new ATOM 0 HG22 VAL A 26 2.989 3.056 -3.137 1.00 0.00 H new ATOM 0 HG23 VAL A 26 4.066 2.764 -4.523 1.00 0.00 H new ATOM 403 N LYS A 27 3.827 6.152 -1.336 1.00 0.00 N ATOM 404 CA LYS A 27 2.684 6.788 -0.613 1.00 0.00 C ATOM 405 C LYS A 27 2.027 7.819 -1.531 1.00 0.00 C ATOM 406 O LYS A 27 0.818 7.922 -1.598 1.00 0.00 O ATOM 407 CB LYS A 27 3.197 7.484 0.653 1.00 0.00 C ATOM 408 CG LYS A 27 2.032 7.743 1.617 1.00 0.00 C ATOM 409 CD LYS A 27 2.131 6.799 2.822 1.00 0.00 C ATOM 410 CE LYS A 27 1.660 5.396 2.427 1.00 0.00 C ATOM 411 NZ LYS A 27 0.799 4.837 3.509 1.00 0.00 N ATOM 0 H LYS A 27 4.709 6.144 -0.824 1.00 0.00 H new ATOM 0 HA LYS A 27 1.957 6.025 -0.333 1.00 0.00 H new ATOM 0 HB2 LYS A 27 3.951 6.864 1.139 1.00 0.00 H new ATOM 0 HB3 LYS A 27 3.679 8.426 0.390 1.00 0.00 H new ATOM 0 HG2 LYS A 27 2.051 8.780 1.954 1.00 0.00 H new ATOM 0 HG3 LYS A 27 1.083 7.592 1.103 1.00 0.00 H new ATOM 0 HD2 LYS A 27 3.160 6.759 3.180 1.00 0.00 H new ATOM 0 HD3 LYS A 27 1.522 7.178 3.643 1.00 0.00 H new ATOM 0 HE2 LYS A 27 1.104 5.438 1.490 1.00 0.00 H new ATOM 0 HE3 LYS A 27 2.519 4.746 2.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 0.904 3.803 3.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 1.087 5.239 4.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -0.195 5.079 3.322 1.00 0.00 H new ATOM 425 N ALA A 28 2.820 8.568 -2.255 1.00 0.00 N ATOM 426 CA ALA A 28 2.247 9.577 -3.189 1.00 0.00 C ATOM 427 C ALA A 28 1.499 8.834 -4.292 1.00 0.00 C ATOM 428 O ALA A 28 0.447 9.251 -4.737 1.00 0.00 O ATOM 429 CB ALA A 28 3.375 10.410 -3.803 1.00 0.00 C ATOM 0 H ALA A 28 3.839 8.522 -2.238 1.00 0.00 H new ATOM 0 HA ALA A 28 1.569 10.243 -2.655 1.00 0.00 H new ATOM 0 HB1 ALA A 28 2.953 11.147 -4.486 1.00 0.00 H new ATOM 0 HB2 ALA A 28 3.923 10.921 -3.011 1.00 0.00 H new ATOM 0 HB3 ALA A 28 4.054 9.756 -4.350 1.00 0.00 H new ATOM 435 N LEU A 29 2.027 7.716 -4.714 1.00 0.00 N ATOM 436 CA LEU A 29 1.348 6.911 -5.767 1.00 0.00 C ATOM 437 C LEU A 29 0.120 6.231 -5.150 1.00 0.00 C ATOM 438 O LEU A 29 -0.883 6.022 -5.804 1.00 0.00 O ATOM 439 CB LEU A 29 2.320 5.847 -6.294 1.00 0.00 C ATOM 440 CG LEU A 29 2.699 6.155 -7.747 1.00 0.00 C ATOM 441 CD1 LEU A 29 3.467 7.479 -7.811 1.00 0.00 C ATOM 442 CD2 LEU A 29 3.582 5.030 -8.291 1.00 0.00 C ATOM 0 H LEU A 29 2.905 7.325 -4.372 1.00 0.00 H new ATOM 0 HA LEU A 29 1.037 7.553 -6.591 1.00 0.00 H new ATOM 0 HB2 LEU A 29 3.216 5.822 -5.674 1.00 0.00 H new ATOM 0 HB3 LEU A 29 1.861 4.860 -6.231 1.00 0.00 H new ATOM 0 HG LEU A 29 1.793 6.233 -8.347 1.00 0.00 H new ATOM 0 HD11 LEU A 29 3.735 7.695 -8.845 1.00 0.00 H new ATOM 0 HD12 LEU A 29 2.840 8.282 -7.423 1.00 0.00 H new ATOM 0 HD13 LEU A 29 4.373 7.403 -7.210 1.00 0.00 H new ATOM 0 HD21 LEU A 29 3.853 5.247 -9.324 1.00 0.00 H new ATOM 0 HD22 LEU A 29 4.486 4.953 -7.688 1.00 0.00 H new ATOM 0 HD23 LEU A 29 3.037 4.087 -8.249 1.00 0.00 H new ATOM 454 N LEU A 30 0.199 5.896 -3.886 1.00 0.00 N ATOM 455 CA LEU A 30 -0.948 5.236 -3.198 1.00 0.00 C ATOM 456 C LEU A 30 -2.074 6.256 -3.004 1.00 0.00 C ATOM 457 O LEU A 30 -3.217 6.004 -3.334 1.00 0.00 O ATOM 458 CB LEU A 30 -0.493 4.717 -1.825 1.00 0.00 C ATOM 459 CG LEU A 30 0.578 3.621 -1.976 1.00 0.00 C ATOM 460 CD1 LEU A 30 0.494 2.663 -0.783 1.00 0.00 C ATOM 461 CD2 LEU A 30 0.364 2.829 -3.272 1.00 0.00 C ATOM 0 H LEU A 30 1.017 6.054 -3.298 1.00 0.00 H new ATOM 0 HA LEU A 30 -1.305 4.402 -3.803 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -0.094 5.542 -1.235 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -1.350 4.321 -1.280 1.00 0.00 H new ATOM 0 HG LEU A 30 1.559 4.095 -2.011 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.251 1.886 -0.887 1.00 0.00 H new ATOM 0 HD12 LEU A 30 0.666 3.216 0.140 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -0.495 2.205 -0.753 1.00 0.00 H new ATOM 0 HD21 LEU A 30 1.131 2.060 -3.359 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.620 2.360 -3.253 1.00 0.00 H new ATOM 0 HD23 LEU A 30 0.428 3.504 -4.126 1.00 0.00 H new ATOM 473 N ARG A 31 -1.753 7.408 -2.474 1.00 0.00 N ATOM 474 CA ARG A 31 -2.790 8.461 -2.261 1.00 0.00 C ATOM 475 C ARG A 31 -3.424 8.809 -3.609 1.00 0.00 C ATOM 476 O ARG A 31 -4.628 8.926 -3.734 1.00 0.00 O ATOM 477 CB ARG A 31 -2.127 9.705 -1.665 1.00 0.00 C ATOM 478 CG ARG A 31 -3.198 10.668 -1.147 1.00 0.00 C ATOM 479 CD ARG A 31 -2.524 11.873 -0.485 1.00 0.00 C ATOM 480 NE ARG A 31 -1.432 12.384 -1.366 1.00 0.00 N ATOM 481 CZ ARG A 31 -1.628 13.439 -2.111 1.00 0.00 C ATOM 482 NH1 ARG A 31 -2.703 13.531 -2.846 1.00 0.00 N ATOM 483 NH2 ARG A 31 -0.746 14.401 -2.123 1.00 0.00 N ATOM 0 H ARG A 31 -0.812 7.666 -2.178 1.00 0.00 H new ATOM 0 HA ARG A 31 -3.558 8.100 -1.577 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -1.460 9.418 -0.852 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -1.516 10.199 -2.420 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -3.833 10.999 -1.969 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -3.843 10.160 -0.431 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -3.257 12.659 -0.305 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -2.118 11.587 0.486 1.00 0.00 H new ATOM 0 HE ARG A 31 -0.530 11.908 -1.386 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -3.391 12.778 -2.839 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -2.854 14.355 -3.427 1.00 0.00 H new ATOM 0 HH21 ARG A 31 0.095 14.329 -1.551 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -0.898 15.225 -2.704 1.00 0.00 H new ATOM 497 N ARG A 32 -2.607 8.958 -4.616 1.00 0.00 N ATOM 498 CA ARG A 32 -3.135 9.280 -5.974 1.00 0.00 C ATOM 499 C ARG A 32 -4.152 8.204 -6.370 1.00 0.00 C ATOM 500 O ARG A 32 -5.101 8.463 -7.084 1.00 0.00 O ATOM 501 CB ARG A 32 -1.981 9.302 -6.983 1.00 0.00 C ATOM 502 CG ARG A 32 -1.337 10.692 -6.995 1.00 0.00 C ATOM 503 CD ARG A 32 -0.453 10.841 -8.236 1.00 0.00 C ATOM 504 NE ARG A 32 0.525 9.716 -8.291 1.00 0.00 N ATOM 505 CZ ARG A 32 0.705 9.060 -9.406 1.00 0.00 C ATOM 506 NH1 ARG A 32 -0.309 8.505 -10.011 1.00 0.00 N ATOM 507 NH2 ARG A 32 1.901 8.961 -9.917 1.00 0.00 N ATOM 0 H ARG A 32 -1.592 8.870 -4.557 1.00 0.00 H new ATOM 0 HA ARG A 32 -3.615 10.259 -5.967 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -1.239 8.548 -6.719 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -2.349 9.052 -7.978 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -2.109 11.461 -6.992 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -0.742 10.835 -6.093 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -1.069 10.845 -9.135 1.00 0.00 H new ATOM 0 HD3 ARG A 32 0.075 11.794 -8.207 1.00 0.00 H new ATOM 0 HE ARG A 32 1.054 9.459 -7.457 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -1.245 8.583 -9.613 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -0.166 7.993 -10.882 1.00 0.00 H new ATOM 0 HH21 ARG A 32 2.694 9.396 -9.446 1.00 0.00 H new ATOM 0 HH22 ARG A 32 2.043 8.449 -10.788 1.00 0.00 H new ATOM 521 N LEU A 33 -3.945 6.996 -5.911 1.00 0.00 N ATOM 522 CA LEU A 33 -4.875 5.878 -6.247 1.00 0.00 C ATOM 523 C LEU A 33 -6.191 6.011 -5.464 1.00 0.00 C ATOM 524 O LEU A 33 -6.975 5.082 -5.402 1.00 0.00 O ATOM 525 CB LEU A 33 -4.200 4.548 -5.895 1.00 0.00 C ATOM 526 CG LEU A 33 -4.602 3.465 -6.906 1.00 0.00 C ATOM 527 CD1 LEU A 33 -4.379 3.965 -8.339 1.00 0.00 C ATOM 528 CD2 LEU A 33 -3.746 2.220 -6.670 1.00 0.00 C ATOM 0 H LEU A 33 -3.162 6.735 -5.311 1.00 0.00 H new ATOM 0 HA LEU A 33 -5.104 5.914 -7.312 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.117 4.671 -5.894 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -4.487 4.241 -4.889 1.00 0.00 H new ATOM 0 HG LEU A 33 -5.658 3.228 -6.774 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -4.668 3.187 -9.045 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.984 4.855 -8.512 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -3.326 4.209 -8.479 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -4.025 1.446 -7.384 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -2.694 2.472 -6.801 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -3.908 1.854 -5.656 1.00 0.00 H new ATOM 540 N GLY A 34 -6.455 7.156 -4.887 1.00 0.00 N ATOM 541 CA GLY A 34 -7.733 7.341 -4.137 1.00 0.00 C ATOM 542 C GLY A 34 -7.600 6.834 -2.697 1.00 0.00 C ATOM 543 O GLY A 34 -7.884 7.550 -1.756 1.00 0.00 O ATOM 0 H GLY A 34 -5.841 7.970 -4.903 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -8.007 8.396 -4.132 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -8.537 6.806 -4.643 1.00 0.00 H new ATOM 547 N ALA A 35 -7.191 5.602 -2.516 1.00 0.00 N ATOM 548 CA ALA A 35 -7.059 5.043 -1.135 1.00 0.00 C ATOM 549 C ALA A 35 -6.300 6.018 -0.232 1.00 0.00 C ATOM 550 O ALA A 35 -5.338 6.641 -0.641 1.00 0.00 O ATOM 551 CB ALA A 35 -6.302 3.715 -1.191 1.00 0.00 C ATOM 0 H ALA A 35 -6.942 4.958 -3.267 1.00 0.00 H new ATOM 0 HA ALA A 35 -8.057 4.885 -0.726 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -6.206 3.308 -0.184 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -6.850 3.010 -1.817 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -5.310 3.879 -1.612 1.00 0.00 H new ATOM 557 N LYS A 36 -6.726 6.146 0.999 1.00 0.00 N ATOM 558 CA LYS A 36 -6.036 7.071 1.947 1.00 0.00 C ATOM 559 C LYS A 36 -4.684 6.472 2.335 1.00 0.00 C ATOM 560 O LYS A 36 -4.479 5.276 2.235 1.00 0.00 O ATOM 561 CB LYS A 36 -6.895 7.247 3.202 1.00 0.00 C ATOM 562 CG LYS A 36 -7.786 8.484 3.052 1.00 0.00 C ATOM 563 CD LYS A 36 -8.846 8.494 4.157 1.00 0.00 C ATOM 564 CE LYS A 36 -8.183 8.758 5.513 1.00 0.00 C ATOM 565 NZ LYS A 36 -7.824 7.461 6.155 1.00 0.00 N ATOM 0 H LYS A 36 -7.526 5.647 1.389 1.00 0.00 H new ATOM 0 HA LYS A 36 -5.886 8.041 1.472 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -7.510 6.361 3.360 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -6.256 7.352 4.079 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -7.181 9.389 3.107 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -8.267 8.481 2.074 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -9.591 9.262 3.951 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -9.370 7.539 4.179 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -7.290 9.369 5.380 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -8.860 9.319 6.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -8.440 7.298 6.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -7.948 6.688 5.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -6.832 7.491 6.467 1.00 0.00 H new ATOM 579 N VAL A 37 -3.757 7.285 2.772 1.00 0.00 N ATOM 580 CA VAL A 37 -2.417 6.753 3.161 1.00 0.00 C ATOM 581 C VAL A 37 -2.006 7.331 4.520 1.00 0.00 C ATOM 582 O VAL A 37 -2.391 8.426 4.882 1.00 0.00 O ATOM 583 CB VAL A 37 -1.387 7.152 2.098 1.00 0.00 C ATOM 584 CG1 VAL A 37 -1.654 6.377 0.807 1.00 0.00 C ATOM 585 CG2 VAL A 37 -1.489 8.656 1.817 1.00 0.00 C ATOM 0 H VAL A 37 -3.870 8.293 2.876 1.00 0.00 H new ATOM 0 HA VAL A 37 -2.464 5.666 3.235 1.00 0.00 H new ATOM 0 HB VAL A 37 -0.387 6.918 2.464 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -0.920 6.662 0.053 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -1.576 5.307 1.002 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -2.656 6.608 0.444 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -0.755 8.935 1.061 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -2.490 8.892 1.456 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -1.294 9.212 2.734 1.00 0.00 H new ATOM 595 N THR A 38 -1.222 6.600 5.272 1.00 0.00 N ATOM 596 CA THR A 38 -0.775 7.093 6.611 1.00 0.00 C ATOM 597 C THR A 38 0.529 6.384 6.998 1.00 0.00 C ATOM 598 O THR A 38 1.159 5.735 6.184 1.00 0.00 O ATOM 599 CB THR A 38 -1.858 6.795 7.660 1.00 0.00 C ATOM 600 OG1 THR A 38 -2.522 5.585 7.323 1.00 0.00 O ATOM 601 CG2 THR A 38 -2.875 7.939 7.702 1.00 0.00 C ATOM 0 H THR A 38 -0.870 5.678 5.015 1.00 0.00 H new ATOM 0 HA THR A 38 -0.607 8.169 6.568 1.00 0.00 H new ATOM 0 HB THR A 38 -1.390 6.697 8.639 1.00 0.00 H new ATOM 0 HG1 THR A 38 -3.212 5.393 7.992 1.00 0.00 H new ATOM 0 HG21 THR A 38 -3.639 7.720 8.448 1.00 0.00 H new ATOM 0 HG22 THR A 38 -2.368 8.867 7.964 1.00 0.00 H new ATOM 0 HG23 THR A 38 -3.343 8.046 6.724 1.00 0.00 H new ATOM 609 N ASP A 39 0.940 6.493 8.236 1.00 0.00 N ATOM 610 CA ASP A 39 2.201 5.819 8.667 1.00 0.00 C ATOM 611 C ASP A 39 2.087 5.360 10.129 1.00 0.00 C ATOM 612 O ASP A 39 3.004 4.773 10.669 1.00 0.00 O ATOM 613 CB ASP A 39 3.371 6.797 8.529 1.00 0.00 C ATOM 614 CG ASP A 39 3.089 8.053 9.360 1.00 0.00 C ATOM 615 OD1 ASP A 39 2.430 8.943 8.846 1.00 0.00 O ATOM 616 OD2 ASP A 39 3.534 8.101 10.495 1.00 0.00 O ATOM 0 H ASP A 39 0.458 7.019 8.965 1.00 0.00 H new ATOM 0 HA ASP A 39 2.371 4.947 8.036 1.00 0.00 H new ATOM 0 HB2 ASP A 39 4.294 6.325 8.865 1.00 0.00 H new ATOM 0 HB3 ASP A 39 3.513 7.065 7.482 1.00 0.00 H new ATOM 621 N SER A 40 0.973 5.617 10.771 1.00 0.00 N ATOM 622 CA SER A 40 0.806 5.192 12.193 1.00 0.00 C ATOM 623 C SER A 40 -0.544 4.491 12.352 1.00 0.00 C ATOM 624 O SER A 40 -1.447 4.678 11.559 1.00 0.00 O ATOM 625 CB SER A 40 0.855 6.421 13.104 1.00 0.00 C ATOM 626 OG SER A 40 0.772 6.005 14.460 1.00 0.00 O ATOM 0 H SER A 40 0.172 6.104 10.369 1.00 0.00 H new ATOM 0 HA SER A 40 1.609 4.508 12.468 1.00 0.00 H new ATOM 0 HB2 SER A 40 1.779 6.974 12.938 1.00 0.00 H new ATOM 0 HB3 SER A 40 0.032 7.096 12.868 1.00 0.00 H new ATOM 0 HG SER A 40 0.805 6.790 15.046 1.00 0.00 H new ATOM 632 N VAL A 41 -0.685 3.679 13.369 1.00 0.00 N ATOM 633 CA VAL A 41 -1.974 2.954 13.581 1.00 0.00 C ATOM 634 C VAL A 41 -2.421 3.108 15.036 1.00 0.00 C ATOM 635 O VAL A 41 -1.612 3.157 15.944 1.00 0.00 O ATOM 636 CB VAL A 41 -1.784 1.469 13.255 1.00 0.00 C ATOM 637 CG1 VAL A 41 -1.461 1.311 11.766 1.00 0.00 C ATOM 638 CG2 VAL A 41 -0.631 0.896 14.088 1.00 0.00 C ATOM 0 H VAL A 41 0.038 3.487 14.062 1.00 0.00 H new ATOM 0 HA VAL A 41 -2.737 3.375 12.926 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.702 0.930 13.491 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.326 0.255 11.533 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -2.282 1.711 11.171 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -0.545 1.854 11.533 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -0.501 -0.160 13.852 1.00 0.00 H new ATOM 0 HG22 VAL A 41 0.288 1.435 13.857 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -0.859 1.005 15.148 1.00 0.00 H new ATOM 648 N SER A 42 -3.706 3.190 15.261 1.00 0.00 N ATOM 649 CA SER A 42 -4.220 3.344 16.654 1.00 0.00 C ATOM 650 C SER A 42 -5.627 2.748 16.751 1.00 0.00 C ATOM 651 O SER A 42 -6.022 2.241 17.783 1.00 0.00 O ATOM 652 CB SER A 42 -4.272 4.830 17.016 1.00 0.00 C ATOM 653 OG SER A 42 -2.947 5.336 17.126 1.00 0.00 O ATOM 0 H SER A 42 -4.424 3.157 14.537 1.00 0.00 H new ATOM 0 HA SER A 42 -3.557 2.822 17.344 1.00 0.00 H new ATOM 0 HB2 SER A 42 -4.822 5.382 16.254 1.00 0.00 H new ATOM 0 HB3 SER A 42 -4.805 4.968 17.957 1.00 0.00 H new ATOM 0 HG SER A 42 -2.307 4.633 16.887 1.00 0.00 H new ATOM 659 N ARG A 43 -6.384 2.808 15.684 1.00 0.00 N ATOM 660 CA ARG A 43 -7.770 2.251 15.707 1.00 0.00 C ATOM 661 C ARG A 43 -8.395 2.420 14.320 1.00 0.00 C ATOM 662 O ARG A 43 -8.589 1.465 13.593 1.00 0.00 O ATOM 663 CB ARG A 43 -8.611 3.009 16.744 1.00 0.00 C ATOM 664 CG ARG A 43 -9.118 2.039 17.815 1.00 0.00 C ATOM 665 CD ARG A 43 -9.869 2.822 18.896 1.00 0.00 C ATOM 666 NE ARG A 43 -9.948 2.004 20.140 1.00 0.00 N ATOM 667 CZ ARG A 43 -11.000 1.266 20.371 1.00 0.00 C ATOM 668 NH1 ARG A 43 -11.053 0.046 19.914 1.00 0.00 N ATOM 669 NH2 ARG A 43 -11.996 1.748 21.062 1.00 0.00 N ATOM 0 H ARG A 43 -6.100 3.220 14.795 1.00 0.00 H new ATOM 0 HA ARG A 43 -7.739 1.194 15.973 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -8.013 3.794 17.206 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -9.454 3.497 16.255 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -9.776 1.295 17.366 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -8.281 1.498 18.257 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -9.358 3.763 19.099 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -10.871 3.072 18.548 1.00 0.00 H new ATOM 0 HE ARG A 43 -9.180 2.021 20.811 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -10.273 -0.332 19.376 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -11.875 -0.531 20.094 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -11.953 2.701 21.422 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -12.818 1.171 21.242 1.00 0.00 H new ATOM 683 N LYS A 44 -8.710 3.635 13.954 1.00 0.00 N ATOM 684 CA LYS A 44 -9.324 3.891 12.617 1.00 0.00 C ATOM 685 C LYS A 44 -8.310 3.567 11.514 1.00 0.00 C ATOM 686 O LYS A 44 -8.640 3.546 10.344 1.00 0.00 O ATOM 687 CB LYS A 44 -9.733 5.365 12.514 1.00 0.00 C ATOM 688 CG LYS A 44 -10.665 5.731 13.676 1.00 0.00 C ATOM 689 CD LYS A 44 -11.941 4.882 13.605 1.00 0.00 C ATOM 690 CE LYS A 44 -13.069 5.586 14.363 1.00 0.00 C ATOM 691 NZ LYS A 44 -12.705 5.705 15.803 1.00 0.00 N ATOM 0 H LYS A 44 -8.567 4.466 14.528 1.00 0.00 H new ATOM 0 HA LYS A 44 -10.204 3.259 12.498 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -8.847 5.999 12.534 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -10.234 5.547 11.563 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -10.159 5.564 14.627 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -10.919 6.790 13.631 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -12.229 4.727 12.565 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -11.759 3.897 14.036 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -13.244 6.575 13.939 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -13.997 5.025 14.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -13.537 6.010 16.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -12.379 4.783 16.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -11.944 6.406 15.912 1.00 0.00 H new ATOM 705 N THR A 45 -7.079 3.313 11.881 1.00 0.00 N ATOM 706 CA THR A 45 -6.035 2.988 10.864 1.00 0.00 C ATOM 707 C THR A 45 -5.360 1.668 11.236 1.00 0.00 C ATOM 708 O THR A 45 -4.676 1.570 12.237 1.00 0.00 O ATOM 709 CB THR A 45 -4.988 4.109 10.826 1.00 0.00 C ATOM 710 OG1 THR A 45 -4.716 4.546 12.150 1.00 0.00 O ATOM 711 CG2 THR A 45 -5.519 5.282 9.999 1.00 0.00 C ATOM 0 H THR A 45 -6.752 3.317 12.847 1.00 0.00 H new ATOM 0 HA THR A 45 -6.499 2.896 9.882 1.00 0.00 H new ATOM 0 HB THR A 45 -4.072 3.733 10.371 1.00 0.00 H new ATOM 0 HG1 THR A 45 -4.046 5.261 12.127 1.00 0.00 H new ATOM 0 HG21 THR A 45 -4.773 6.077 9.974 1.00 0.00 H new ATOM 0 HG22 THR A 45 -5.726 4.946 8.983 1.00 0.00 H new ATOM 0 HG23 THR A 45 -6.436 5.660 10.450 1.00 0.00 H new ATOM 719 N SER A 46 -5.545 0.652 10.433 1.00 0.00 N ATOM 720 CA SER A 46 -4.913 -0.667 10.730 1.00 0.00 C ATOM 721 C SER A 46 -4.669 -1.415 9.416 1.00 0.00 C ATOM 722 O SER A 46 -5.243 -2.457 9.160 1.00 0.00 O ATOM 723 CB SER A 46 -5.834 -1.490 11.638 1.00 0.00 C ATOM 724 OG SER A 46 -6.552 -0.620 12.504 1.00 0.00 O ATOM 0 H SER A 46 -6.108 0.680 9.583 1.00 0.00 H new ATOM 0 HA SER A 46 -3.963 -0.512 11.241 1.00 0.00 H new ATOM 0 HB2 SER A 46 -6.529 -2.074 11.035 1.00 0.00 H new ATOM 0 HB3 SER A 46 -5.247 -2.198 12.223 1.00 0.00 H new ATOM 0 HG SER A 46 -7.141 -1.148 13.083 1.00 0.00 H new ATOM 730 N TYR A 47 -3.811 -0.887 8.585 1.00 0.00 N ATOM 731 CA TYR A 47 -3.508 -1.553 7.282 1.00 0.00 C ATOM 732 C TYR A 47 -2.035 -1.339 6.939 1.00 0.00 C ATOM 733 O TYR A 47 -1.544 -0.229 6.953 1.00 0.00 O ATOM 734 CB TYR A 47 -4.381 -0.947 6.179 1.00 0.00 C ATOM 735 CG TYR A 47 -5.833 -1.245 6.465 1.00 0.00 C ATOM 736 CD1 TYR A 47 -6.361 -2.507 6.168 1.00 0.00 C ATOM 737 CD2 TYR A 47 -6.650 -0.261 7.034 1.00 0.00 C ATOM 738 CE1 TYR A 47 -7.705 -2.785 6.438 1.00 0.00 C ATOM 739 CE2 TYR A 47 -7.994 -0.539 7.306 1.00 0.00 C ATOM 740 CZ TYR A 47 -8.521 -1.800 7.008 1.00 0.00 C ATOM 741 OH TYR A 47 -9.847 -2.076 7.277 1.00 0.00 O ATOM 0 H TYR A 47 -3.303 -0.018 8.752 1.00 0.00 H new ATOM 0 HA TYR A 47 -3.716 -2.620 7.361 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -4.223 0.130 6.126 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -4.098 -1.358 5.210 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -5.730 -3.266 5.730 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -6.243 0.713 7.263 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -8.113 -3.758 6.207 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -8.624 0.220 7.746 1.00 0.00 H new ATOM 0 HH TYR A 47 -10.272 -1.286 7.672 1.00 0.00 H new ATOM 751 N LEU A 48 -1.325 -2.394 6.640 1.00 0.00 N ATOM 752 CA LEU A 48 0.121 -2.252 6.306 1.00 0.00 C ATOM 753 C LEU A 48 0.376 -2.777 4.894 1.00 0.00 C ATOM 754 O LEU A 48 0.123 -3.926 4.599 1.00 0.00 O ATOM 755 CB LEU A 48 0.948 -3.077 7.304 1.00 0.00 C ATOM 756 CG LEU A 48 2.438 -2.672 7.293 1.00 0.00 C ATOM 757 CD1 LEU A 48 2.862 -2.088 5.943 1.00 0.00 C ATOM 758 CD2 LEU A 48 2.697 -1.635 8.390 1.00 0.00 C ATOM 0 H LEU A 48 -1.685 -3.348 6.613 1.00 0.00 H new ATOM 0 HA LEU A 48 0.406 -1.201 6.360 1.00 0.00 H new ATOM 0 HB2 LEU A 48 0.543 -2.944 8.307 1.00 0.00 H new ATOM 0 HB3 LEU A 48 0.858 -4.136 7.062 1.00 0.00 H new ATOM 0 HG LEU A 48 3.025 -3.573 7.472 1.00 0.00 H new ATOM 0 HD11 LEU A 48 3.917 -1.817 5.979 1.00 0.00 H new ATOM 0 HD12 LEU A 48 2.705 -2.830 5.160 1.00 0.00 H new ATOM 0 HD13 LEU A 48 2.266 -1.201 5.727 1.00 0.00 H new ATOM 0 HD21 LEU A 48 3.749 -1.350 8.381 1.00 0.00 H new ATOM 0 HD22 LEU A 48 2.081 -0.754 8.210 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.445 -2.062 9.361 1.00 0.00 H new ATOM 770 N VAL A 49 0.935 -1.958 4.044 1.00 0.00 N ATOM 771 CA VAL A 49 1.272 -2.429 2.671 1.00 0.00 C ATOM 772 C VAL A 49 2.534 -3.284 2.789 1.00 0.00 C ATOM 773 O VAL A 49 3.636 -2.776 2.791 1.00 0.00 O ATOM 774 CB VAL A 49 1.539 -1.242 1.733 1.00 0.00 C ATOM 775 CG1 VAL A 49 0.249 -0.860 1.002 1.00 0.00 C ATOM 776 CG2 VAL A 49 2.041 -0.040 2.538 1.00 0.00 C ATOM 0 H VAL A 49 1.172 -0.986 4.241 1.00 0.00 H new ATOM 0 HA VAL A 49 0.441 -2.998 2.254 1.00 0.00 H new ATOM 0 HB VAL A 49 2.298 -1.531 1.006 1.00 0.00 H new ATOM 0 HG11 VAL A 49 0.443 -0.018 0.338 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -0.103 -1.710 0.417 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -0.512 -0.580 1.730 1.00 0.00 H new ATOM 0 HG21 VAL A 49 2.228 0.797 1.865 1.00 0.00 H new ATOM 0 HG22 VAL A 49 1.288 0.246 3.272 1.00 0.00 H new ATOM 0 HG23 VAL A 49 2.965 -0.306 3.051 1.00 0.00 H new ATOM 786 N VAL A 50 2.382 -4.579 2.904 1.00 0.00 N ATOM 787 CA VAL A 50 3.586 -5.451 3.044 1.00 0.00 C ATOM 788 C VAL A 50 4.412 -5.350 1.763 1.00 0.00 C ATOM 789 O VAL A 50 4.150 -6.036 0.793 1.00 0.00 O ATOM 790 CB VAL A 50 3.145 -6.905 3.255 1.00 0.00 C ATOM 791 CG1 VAL A 50 4.365 -7.772 3.585 1.00 0.00 C ATOM 792 CG2 VAL A 50 2.141 -6.976 4.410 1.00 0.00 C ATOM 0 H VAL A 50 1.486 -5.066 2.907 1.00 0.00 H new ATOM 0 HA VAL A 50 4.181 -5.131 3.899 1.00 0.00 H new ATOM 0 HB VAL A 50 2.675 -7.273 2.343 1.00 0.00 H new ATOM 0 HG11 VAL A 50 4.048 -8.804 3.734 1.00 0.00 H new ATOM 0 HG12 VAL A 50 5.077 -7.727 2.761 1.00 0.00 H new ATOM 0 HG13 VAL A 50 4.839 -7.403 4.495 1.00 0.00 H new ATOM 0 HG21 VAL A 50 1.829 -8.010 4.558 1.00 0.00 H new ATOM 0 HG22 VAL A 50 2.608 -6.604 5.322 1.00 0.00 H new ATOM 0 HG23 VAL A 50 1.270 -6.365 4.173 1.00 0.00 H new ATOM 802 N GLY A 51 5.382 -4.469 1.730 1.00 0.00 N ATOM 803 CA GLY A 51 6.185 -4.298 0.485 1.00 0.00 C ATOM 804 C GLY A 51 7.501 -5.071 0.563 1.00 0.00 C ATOM 805 O GLY A 51 7.690 -6.052 -0.128 1.00 0.00 O ATOM 0 H GLY A 51 5.649 -3.865 2.508 1.00 0.00 H new ATOM 0 HA2 GLY A 51 5.608 -4.643 -0.373 1.00 0.00 H new ATOM 0 HA3 GLY A 51 6.391 -3.240 0.325 1.00 0.00 H new ATOM 809 N GLU A 52 8.426 -4.623 1.376 1.00 0.00 N ATOM 810 CA GLU A 52 9.740 -5.327 1.457 1.00 0.00 C ATOM 811 C GLU A 52 9.577 -6.722 2.078 1.00 0.00 C ATOM 812 O GLU A 52 8.488 -7.252 2.182 1.00 0.00 O ATOM 813 CB GLU A 52 10.718 -4.495 2.297 1.00 0.00 C ATOM 814 CG GLU A 52 12.104 -4.521 1.636 1.00 0.00 C ATOM 815 CD GLU A 52 12.213 -3.394 0.601 1.00 0.00 C ATOM 816 OE1 GLU A 52 11.243 -3.163 -0.106 1.00 0.00 O ATOM 817 OE2 GLU A 52 13.266 -2.784 0.528 1.00 0.00 O ATOM 0 H GLU A 52 8.328 -3.808 1.981 1.00 0.00 H new ATOM 0 HA GLU A 52 10.133 -5.446 0.447 1.00 0.00 H new ATOM 0 HB2 GLU A 52 10.361 -3.468 2.380 1.00 0.00 H new ATOM 0 HB3 GLU A 52 10.778 -4.895 3.309 1.00 0.00 H new ATOM 0 HG2 GLU A 52 12.879 -4.406 2.393 1.00 0.00 H new ATOM 0 HG3 GLU A 52 12.268 -5.485 1.155 1.00 0.00 H new ATOM 824 N ASN A 53 10.672 -7.304 2.488 1.00 0.00 N ATOM 825 CA ASN A 53 10.635 -8.664 3.110 1.00 0.00 C ATOM 826 C ASN A 53 11.166 -8.579 4.547 1.00 0.00 C ATOM 827 O ASN A 53 10.523 -9.039 5.472 1.00 0.00 O ATOM 828 CB ASN A 53 11.487 -9.647 2.293 1.00 0.00 C ATOM 829 CG ASN A 53 11.665 -9.119 0.865 1.00 0.00 C ATOM 830 OD1 ASN A 53 10.719 -9.063 0.103 1.00 0.00 O ATOM 831 ND2 ASN A 53 12.844 -8.725 0.468 1.00 0.00 N ATOM 0 H ASN A 53 11.602 -6.892 2.419 1.00 0.00 H new ATOM 0 HA ASN A 53 9.606 -9.025 3.122 1.00 0.00 H new ATOM 0 HB2 ASN A 53 12.460 -9.778 2.766 1.00 0.00 H new ATOM 0 HB3 ASN A 53 11.008 -10.626 2.271 1.00 0.00 H new ATOM 0 HD21 ASN A 53 12.971 -8.371 -0.480 1.00 0.00 H new ATOM 0 HD22 ASN A 53 13.639 -8.771 1.106 1.00 0.00 H new ATOM 838 N PRO A 54 12.321 -7.985 4.742 1.00 0.00 N ATOM 839 CA PRO A 54 12.930 -7.824 6.083 1.00 0.00 C ATOM 840 C PRO A 54 12.520 -6.489 6.712 1.00 0.00 C ATOM 841 O PRO A 54 13.086 -6.047 7.693 1.00 0.00 O ATOM 842 CB PRO A 54 14.430 -7.841 5.787 1.00 0.00 C ATOM 843 CG PRO A 54 14.581 -7.385 4.363 1.00 0.00 C ATOM 844 CD PRO A 54 13.189 -7.394 3.715 1.00 0.00 C ATOM 0 HA PRO A 54 12.620 -8.595 6.788 1.00 0.00 H new ATOM 0 HB2 PRO A 54 14.968 -7.180 6.467 1.00 0.00 H new ATOM 0 HB3 PRO A 54 14.842 -8.841 5.921 1.00 0.00 H new ATOM 0 HG2 PRO A 54 15.013 -6.385 4.326 1.00 0.00 H new ATOM 0 HG3 PRO A 54 15.259 -8.045 3.821 1.00 0.00 H new ATOM 0 HD2 PRO A 54 12.866 -6.387 3.451 1.00 0.00 H new ATOM 0 HD3 PRO A 54 13.180 -7.983 2.798 1.00 0.00 H new ATOM 852 N GLY A 55 11.541 -5.846 6.130 1.00 0.00 N ATOM 853 CA GLY A 55 11.071 -4.531 6.647 1.00 0.00 C ATOM 854 C GLY A 55 10.675 -4.640 8.119 1.00 0.00 C ATOM 855 O GLY A 55 10.459 -5.718 8.640 1.00 0.00 O ATOM 0 H GLY A 55 11.042 -6.183 5.307 1.00 0.00 H new ATOM 0 HA2 GLY A 55 11.859 -3.786 6.531 1.00 0.00 H new ATOM 0 HA3 GLY A 55 10.219 -4.187 6.060 1.00 0.00 H new ATOM 859 N SER A 56 10.566 -3.521 8.787 1.00 0.00 N ATOM 860 CA SER A 56 10.167 -3.536 10.222 1.00 0.00 C ATOM 861 C SER A 56 8.665 -3.814 10.314 1.00 0.00 C ATOM 862 O SER A 56 8.116 -3.987 11.385 1.00 0.00 O ATOM 863 CB SER A 56 10.474 -2.175 10.851 1.00 0.00 C ATOM 864 OG SER A 56 10.753 -2.350 12.234 1.00 0.00 O ATOM 0 H SER A 56 10.737 -2.594 8.397 1.00 0.00 H new ATOM 0 HA SER A 56 10.721 -4.310 10.753 1.00 0.00 H new ATOM 0 HB2 SER A 56 11.326 -1.714 10.352 1.00 0.00 H new ATOM 0 HB3 SER A 56 9.627 -1.502 10.721 1.00 0.00 H new ATOM 0 HG SER A 56 10.952 -1.481 12.640 1.00 0.00 H new ATOM 870 N LYS A 57 8.003 -3.855 9.185 1.00 0.00 N ATOM 871 CA LYS A 57 6.535 -4.118 9.170 1.00 0.00 C ATOM 872 C LYS A 57 6.234 -5.436 9.888 1.00 0.00 C ATOM 873 O LYS A 57 5.115 -5.681 10.285 1.00 0.00 O ATOM 874 CB LYS A 57 6.041 -4.186 7.718 1.00 0.00 C ATOM 875 CG LYS A 57 6.390 -5.543 7.087 1.00 0.00 C ATOM 876 CD LYS A 57 7.910 -5.705 7.003 1.00 0.00 C ATOM 877 CE LYS A 57 8.263 -6.729 5.920 1.00 0.00 C ATOM 878 NZ LYS A 57 8.843 -6.029 4.741 1.00 0.00 N ATOM 0 H LYS A 57 8.423 -3.716 8.266 1.00 0.00 H new ATOM 0 HA LYS A 57 6.018 -3.310 9.687 1.00 0.00 H new ATOM 0 HB2 LYS A 57 4.962 -4.033 7.688 1.00 0.00 H new ATOM 0 HB3 LYS A 57 6.493 -3.382 7.137 1.00 0.00 H new ATOM 0 HG2 LYS A 57 5.962 -6.351 7.681 1.00 0.00 H new ATOM 0 HG3 LYS A 57 5.953 -5.614 6.091 1.00 0.00 H new ATOM 0 HD2 LYS A 57 8.375 -4.746 6.775 1.00 0.00 H new ATOM 0 HD3 LYS A 57 8.304 -6.030 7.966 1.00 0.00 H new ATOM 0 HE2 LYS A 57 8.975 -7.456 6.311 1.00 0.00 H new ATOM 0 HE3 LYS A 57 7.372 -7.283 5.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 8.201 -6.127 3.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 8.969 -5.021 4.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 9.765 -6.449 4.506 1.00 0.00 H new ATOM 892 N LEU A 58 7.220 -6.282 10.051 1.00 0.00 N ATOM 893 CA LEU A 58 6.994 -7.589 10.741 1.00 0.00 C ATOM 894 C LEU A 58 6.156 -7.374 12.004 1.00 0.00 C ATOM 895 O LEU A 58 5.490 -8.272 12.476 1.00 0.00 O ATOM 896 CB LEU A 58 8.346 -8.201 11.126 1.00 0.00 C ATOM 897 CG LEU A 58 8.651 -9.399 10.220 1.00 0.00 C ATOM 898 CD1 LEU A 58 9.061 -8.903 8.828 1.00 0.00 C ATOM 899 CD2 LEU A 58 9.794 -10.219 10.827 1.00 0.00 C ATOM 0 H LEU A 58 8.176 -6.123 9.734 1.00 0.00 H new ATOM 0 HA LEU A 58 6.463 -8.262 10.068 1.00 0.00 H new ATOM 0 HB2 LEU A 58 9.134 -7.453 11.033 1.00 0.00 H new ATOM 0 HB3 LEU A 58 8.328 -8.517 12.169 1.00 0.00 H new ATOM 0 HG LEU A 58 7.761 -10.022 10.133 1.00 0.00 H new ATOM 0 HD11 LEU A 58 9.277 -9.757 8.186 1.00 0.00 H new ATOM 0 HD12 LEU A 58 8.248 -8.321 8.395 1.00 0.00 H new ATOM 0 HD13 LEU A 58 9.950 -8.278 8.912 1.00 0.00 H new ATOM 0 HD21 LEU A 58 10.012 -11.071 10.184 1.00 0.00 H new ATOM 0 HD22 LEU A 58 10.683 -9.594 10.915 1.00 0.00 H new ATOM 0 HD23 LEU A 58 9.501 -10.575 11.815 1.00 0.00 H new ATOM 911 N GLU A 59 6.180 -6.187 12.551 1.00 0.00 N ATOM 912 CA GLU A 59 5.381 -5.912 13.777 1.00 0.00 C ATOM 913 C GLU A 59 3.892 -5.883 13.424 1.00 0.00 C ATOM 914 O GLU A 59 3.118 -6.676 13.928 1.00 0.00 O ATOM 915 CB GLU A 59 5.808 -4.564 14.368 1.00 0.00 C ATOM 916 CG GLU A 59 7.009 -4.766 15.297 1.00 0.00 C ATOM 917 CD GLU A 59 6.542 -5.395 16.614 1.00 0.00 C ATOM 918 OE1 GLU A 59 5.984 -4.677 17.427 1.00 0.00 O ATOM 919 OE2 GLU A 59 6.751 -6.585 16.787 1.00 0.00 O ATOM 0 H GLU A 59 6.720 -5.396 12.200 1.00 0.00 H new ATOM 0 HA GLU A 59 5.554 -6.698 14.513 1.00 0.00 H new ATOM 0 HB2 GLU A 59 6.067 -3.871 13.568 1.00 0.00 H new ATOM 0 HB3 GLU A 59 4.980 -4.119 14.920 1.00 0.00 H new ATOM 0 HG2 GLU A 59 7.748 -5.408 14.818 1.00 0.00 H new ATOM 0 HG3 GLU A 59 7.496 -3.810 15.491 1.00 0.00 H new ATOM 926 N LYS A 60 3.478 -4.989 12.560 1.00 0.00 N ATOM 927 CA LYS A 60 2.034 -4.940 12.191 1.00 0.00 C ATOM 928 C LYS A 60 1.755 -5.980 11.108 1.00 0.00 C ATOM 929 O LYS A 60 0.679 -6.538 11.040 1.00 0.00 O ATOM 930 CB LYS A 60 1.676 -3.551 11.663 1.00 0.00 C ATOM 931 CG LYS A 60 0.180 -3.508 11.330 1.00 0.00 C ATOM 932 CD LYS A 60 -0.231 -2.081 10.976 1.00 0.00 C ATOM 933 CE LYS A 60 -1.746 -2.026 10.773 1.00 0.00 C ATOM 934 NZ LYS A 60 -2.427 -2.080 12.098 1.00 0.00 N ATOM 0 H LYS A 60 4.072 -4.299 12.100 1.00 0.00 H new ATOM 0 HA LYS A 60 1.431 -5.153 13.074 1.00 0.00 H new ATOM 0 HB2 LYS A 60 1.917 -2.793 12.408 1.00 0.00 H new ATOM 0 HB3 LYS A 60 2.265 -3.324 10.775 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -0.035 -4.176 10.496 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -0.402 -3.863 12.181 1.00 0.00 H new ATOM 0 HD2 LYS A 60 0.066 -1.397 11.771 1.00 0.00 H new ATOM 0 HD3 LYS A 60 0.281 -1.757 10.070 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -2.020 -1.111 10.248 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -2.071 -2.860 10.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -3.281 -2.670 12.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -1.782 -2.490 12.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -2.694 -1.118 12.390 1.00 0.00 H new ATOM 948 N ALA A 61 2.720 -6.254 10.268 1.00 0.00 N ATOM 949 CA ALA A 61 2.515 -7.264 9.194 1.00 0.00 C ATOM 950 C ALA A 61 2.277 -8.632 9.830 1.00 0.00 C ATOM 951 O ALA A 61 1.429 -9.384 9.388 1.00 0.00 O ATOM 952 CB ALA A 61 3.743 -7.320 8.289 1.00 0.00 C ATOM 0 H ALA A 61 3.643 -5.819 10.282 1.00 0.00 H new ATOM 0 HA ALA A 61 1.649 -6.984 8.594 1.00 0.00 H new ATOM 0 HB1 ALA A 61 3.584 -8.062 7.506 1.00 0.00 H new ATOM 0 HB2 ALA A 61 3.906 -6.342 7.835 1.00 0.00 H new ATOM 0 HB3 ALA A 61 4.617 -7.596 8.879 1.00 0.00 H new ATOM 958 N ARG A 62 2.986 -8.959 10.884 1.00 0.00 N ATOM 959 CA ARG A 62 2.748 -10.267 11.553 1.00 0.00 C ATOM 960 C ARG A 62 1.403 -10.165 12.260 1.00 0.00 C ATOM 961 O ARG A 62 0.632 -11.105 12.298 1.00 0.00 O ATOM 962 CB ARG A 62 3.852 -10.541 12.578 1.00 0.00 C ATOM 963 CG ARG A 62 3.613 -11.901 13.243 1.00 0.00 C ATOM 964 CD ARG A 62 4.935 -12.448 13.786 1.00 0.00 C ATOM 965 NE ARG A 62 5.442 -11.554 14.866 1.00 0.00 N ATOM 966 CZ ARG A 62 5.472 -11.974 16.102 1.00 0.00 C ATOM 967 NH1 ARG A 62 6.176 -13.026 16.418 1.00 0.00 N ATOM 968 NH2 ARG A 62 4.795 -11.343 17.023 1.00 0.00 N ATOM 0 H ARG A 62 3.712 -8.379 11.304 1.00 0.00 H new ATOM 0 HA ARG A 62 2.750 -11.080 10.827 1.00 0.00 H new ATOM 0 HB2 ARG A 62 4.826 -10.531 12.089 1.00 0.00 H new ATOM 0 HB3 ARG A 62 3.865 -9.754 13.332 1.00 0.00 H new ATOM 0 HG2 ARG A 62 2.890 -11.799 14.053 1.00 0.00 H new ATOM 0 HG3 ARG A 62 3.188 -12.599 12.522 1.00 0.00 H new ATOM 0 HD2 ARG A 62 4.791 -13.457 14.173 1.00 0.00 H new ATOM 0 HD3 ARG A 62 5.669 -12.517 12.983 1.00 0.00 H new ATOM 0 HE ARG A 62 5.766 -10.614 14.639 1.00 0.00 H new ATOM 0 HH11 ARG A 62 6.704 -13.521 15.699 1.00 0.00 H new ATOM 0 HH12 ARG A 62 6.199 -13.353 17.384 1.00 0.00 H new ATOM 0 HH21 ARG A 62 4.242 -10.522 16.777 1.00 0.00 H new ATOM 0 HH22 ARG A 62 4.819 -11.671 17.988 1.00 0.00 H new ATOM 982 N ALA A 63 1.112 -8.998 12.788 1.00 0.00 N ATOM 983 CA ALA A 63 -0.193 -8.756 13.469 1.00 0.00 C ATOM 984 C ALA A 63 -0.365 -9.638 14.706 1.00 0.00 C ATOM 985 O ALA A 63 0.108 -10.756 14.778 1.00 0.00 O ATOM 986 CB ALA A 63 -1.341 -9.024 12.490 1.00 0.00 C ATOM 0 H ALA A 63 1.737 -8.192 12.773 1.00 0.00 H new ATOM 0 HA ALA A 63 -0.208 -7.716 13.795 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -2.294 -8.847 12.989 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -1.251 -8.357 11.632 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -1.296 -10.059 12.151 1.00 0.00 H new ATOM 992 N LEU A 64 -1.090 -9.127 15.661 1.00 0.00 N ATOM 993 CA LEU A 64 -1.390 -9.884 16.908 1.00 0.00 C ATOM 994 C LEU A 64 -2.910 -9.887 17.070 1.00 0.00 C ATOM 995 O LEU A 64 -3.452 -10.311 18.075 1.00 0.00 O ATOM 996 CB LEU A 64 -0.736 -9.192 18.110 1.00 0.00 C ATOM 997 CG LEU A 64 -0.953 -7.675 18.020 1.00 0.00 C ATOM 998 CD1 LEU A 64 -1.245 -7.112 19.413 1.00 0.00 C ATOM 999 CD2 LEU A 64 0.307 -7.008 17.456 1.00 0.00 C ATOM 0 H LEU A 64 -1.497 -8.192 15.628 1.00 0.00 H new ATOM 0 HA LEU A 64 -1.001 -10.901 16.852 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -1.162 -9.575 19.037 1.00 0.00 H new ATOM 0 HB3 LEU A 64 0.331 -9.415 18.133 1.00 0.00 H new ATOM 0 HG LEU A 64 -1.798 -7.472 17.362 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -1.398 -6.035 19.345 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -2.143 -7.582 19.815 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -0.402 -7.318 20.073 1.00 0.00 H new ATOM 0 HD21 LEU A 64 0.151 -5.931 17.393 1.00 0.00 H new ATOM 0 HD22 LEU A 64 1.153 -7.214 18.112 1.00 0.00 H new ATOM 0 HD23 LEU A 64 0.514 -7.404 16.462 1.00 0.00 H new ATOM 1011 N GLY A 65 -3.591 -9.395 16.066 1.00 0.00 N ATOM 1012 CA GLY A 65 -5.076 -9.319 16.085 1.00 0.00 C ATOM 1013 C GLY A 65 -5.501 -8.304 15.023 1.00 0.00 C ATOM 1014 O GLY A 65 -6.578 -8.380 14.461 1.00 0.00 O ATOM 0 H GLY A 65 -3.164 -9.034 15.213 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -5.512 -10.296 15.877 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -5.431 -9.015 17.069 1.00 0.00 H new ATOM 1018 N VAL A 66 -4.643 -7.351 14.750 1.00 0.00 N ATOM 1019 CA VAL A 66 -4.952 -6.306 13.730 1.00 0.00 C ATOM 1020 C VAL A 66 -4.783 -6.888 12.318 1.00 0.00 C ATOM 1021 O VAL A 66 -4.114 -7.884 12.128 1.00 0.00 O ATOM 1022 CB VAL A 66 -3.998 -5.118 13.910 1.00 0.00 C ATOM 1023 CG1 VAL A 66 -4.185 -4.517 15.305 1.00 0.00 C ATOM 1024 CG2 VAL A 66 -2.548 -5.591 13.750 1.00 0.00 C ATOM 0 H VAL A 66 -3.731 -7.254 15.197 1.00 0.00 H new ATOM 0 HA VAL A 66 -5.981 -5.972 13.860 1.00 0.00 H new ATOM 0 HB VAL A 66 -4.218 -4.363 13.155 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -3.507 -3.673 15.432 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -5.214 -4.176 15.419 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -3.968 -5.273 16.059 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -1.873 -4.745 13.878 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -2.327 -6.349 14.502 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -2.412 -6.016 12.756 1.00 0.00 H new ATOM 1034 N PRO A 67 -5.392 -6.266 11.333 1.00 0.00 N ATOM 1035 CA PRO A 67 -5.318 -6.717 9.919 1.00 0.00 C ATOM 1036 C PRO A 67 -4.144 -6.093 9.148 1.00 0.00 C ATOM 1037 O PRO A 67 -3.738 -4.976 9.407 1.00 0.00 O ATOM 1038 CB PRO A 67 -6.646 -6.237 9.334 1.00 0.00 C ATOM 1039 CG PRO A 67 -7.075 -5.068 10.173 1.00 0.00 C ATOM 1040 CD PRO A 67 -6.230 -5.067 11.456 1.00 0.00 C ATOM 0 HA PRO A 67 -5.155 -7.792 9.848 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -6.529 -5.945 8.290 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -7.393 -7.031 9.361 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -6.937 -4.136 9.626 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -8.135 -5.142 10.415 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -5.625 -4.164 11.534 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -6.857 -5.108 12.347 1.00 0.00 H new ATOM 1048 N THR A 68 -3.612 -6.815 8.193 1.00 0.00 N ATOM 1049 CA THR A 68 -2.475 -6.296 7.367 1.00 0.00 C ATOM 1050 C THR A 68 -2.870 -6.415 5.894 1.00 0.00 C ATOM 1051 O THR A 68 -3.515 -7.370 5.505 1.00 0.00 O ATOM 1052 CB THR A 68 -1.223 -7.136 7.642 1.00 0.00 C ATOM 1053 OG1 THR A 68 -1.301 -8.363 6.927 1.00 0.00 O ATOM 1054 CG2 THR A 68 -1.123 -7.425 9.141 1.00 0.00 C ATOM 0 H THR A 68 -3.921 -7.755 7.947 1.00 0.00 H new ATOM 0 HA THR A 68 -2.261 -5.256 7.615 1.00 0.00 H new ATOM 0 HB THR A 68 -0.341 -6.585 7.316 1.00 0.00 H new ATOM 0 HG1 THR A 68 -0.498 -8.896 7.104 1.00 0.00 H new ATOM 0 HG21 THR A 68 -0.233 -8.022 9.338 1.00 0.00 H new ATOM 0 HG22 THR A 68 -1.058 -6.485 9.689 1.00 0.00 H new ATOM 0 HG23 THR A 68 -2.007 -7.974 9.466 1.00 0.00 H new ATOM 1062 N LEU A 69 -2.526 -5.456 5.066 1.00 0.00 N ATOM 1063 CA LEU A 69 -2.938 -5.543 3.629 1.00 0.00 C ATOM 1064 C LEU A 69 -1.718 -5.771 2.731 1.00 0.00 C ATOM 1065 O LEU A 69 -0.824 -4.955 2.659 1.00 0.00 O ATOM 1066 CB LEU A 69 -3.630 -4.237 3.226 1.00 0.00 C ATOM 1067 CG LEU A 69 -4.936 -4.550 2.487 1.00 0.00 C ATOM 1068 CD1 LEU A 69 -5.804 -3.288 2.420 1.00 0.00 C ATOM 1069 CD2 LEU A 69 -4.619 -5.032 1.066 1.00 0.00 C ATOM 0 H LEU A 69 -1.986 -4.629 5.318 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.622 -6.383 3.507 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -3.837 -3.636 4.111 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.972 -3.648 2.587 1.00 0.00 H new ATOM 0 HG LEU A 69 -5.476 -5.331 3.022 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -6.732 -3.512 1.894 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -6.032 -2.949 3.431 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -5.266 -2.504 1.887 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -5.548 -5.254 0.541 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -4.077 -4.253 0.530 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -4.006 -5.932 1.115 1.00 0.00 H new ATOM 1081 N THR A 70 -1.686 -6.876 2.038 1.00 0.00 N ATOM 1082 CA THR A 70 -0.537 -7.168 1.134 1.00 0.00 C ATOM 1083 C THR A 70 -0.350 -6.020 0.136 1.00 0.00 C ATOM 1084 O THR A 70 -1.298 -5.537 -0.453 1.00 0.00 O ATOM 1085 CB THR A 70 -0.819 -8.461 0.367 1.00 0.00 C ATOM 1086 OG1 THR A 70 -1.425 -9.406 1.239 1.00 0.00 O ATOM 1087 CG2 THR A 70 0.491 -9.033 -0.180 1.00 0.00 C ATOM 0 H THR A 70 -2.411 -7.594 2.059 1.00 0.00 H new ATOM 0 HA THR A 70 0.370 -7.276 1.729 1.00 0.00 H new ATOM 0 HB THR A 70 -1.492 -8.249 -0.464 1.00 0.00 H new ATOM 0 HG1 THR A 70 -1.608 -10.234 0.748 1.00 0.00 H new ATOM 0 HG21 THR A 70 0.286 -9.954 -0.726 1.00 0.00 H new ATOM 0 HG22 THR A 70 0.952 -8.308 -0.851 1.00 0.00 H new ATOM 0 HG23 THR A 70 1.169 -9.244 0.647 1.00 0.00 H new ATOM 1095 N GLU A 71 0.869 -5.586 -0.062 1.00 0.00 N ATOM 1096 CA GLU A 71 1.123 -4.474 -1.026 1.00 0.00 C ATOM 1097 C GLU A 71 1.053 -5.017 -2.456 1.00 0.00 C ATOM 1098 O GLU A 71 0.833 -4.281 -3.398 1.00 0.00 O ATOM 1099 CB GLU A 71 2.515 -3.883 -0.776 1.00 0.00 C ATOM 1100 CG GLU A 71 2.722 -2.649 -1.669 1.00 0.00 C ATOM 1101 CD GLU A 71 3.658 -2.989 -2.839 1.00 0.00 C ATOM 1102 OE1 GLU A 71 3.574 -4.096 -3.349 1.00 0.00 O ATOM 1103 OE2 GLU A 71 4.442 -2.132 -3.211 1.00 0.00 O ATOM 0 H GLU A 71 1.699 -5.954 0.403 1.00 0.00 H new ATOM 0 HA GLU A 71 0.370 -3.698 -0.890 1.00 0.00 H new ATOM 0 HB2 GLU A 71 2.620 -3.606 0.273 1.00 0.00 H new ATOM 0 HB3 GLU A 71 3.281 -4.629 -0.987 1.00 0.00 H new ATOM 0 HG2 GLU A 71 1.762 -2.303 -2.051 1.00 0.00 H new ATOM 0 HG3 GLU A 71 3.144 -1.833 -1.082 1.00 0.00 H new ATOM 1110 N GLU A 72 1.243 -6.300 -2.625 1.00 0.00 N ATOM 1111 CA GLU A 72 1.192 -6.894 -3.993 1.00 0.00 C ATOM 1112 C GLU A 72 -0.163 -6.586 -4.634 1.00 0.00 C ATOM 1113 O GLU A 72 -0.235 -6.035 -5.716 1.00 0.00 O ATOM 1114 CB GLU A 72 1.386 -8.412 -3.898 1.00 0.00 C ATOM 1115 CG GLU A 72 2.663 -8.725 -3.107 1.00 0.00 C ATOM 1116 CD GLU A 72 3.832 -7.901 -3.658 1.00 0.00 C ATOM 1117 OE1 GLU A 72 4.264 -8.187 -4.763 1.00 0.00 O ATOM 1118 OE2 GLU A 72 4.274 -6.996 -2.967 1.00 0.00 O ATOM 0 H GLU A 72 1.432 -6.963 -1.873 1.00 0.00 H new ATOM 0 HA GLU A 72 1.985 -6.466 -4.606 1.00 0.00 H new ATOM 0 HB2 GLU A 72 0.524 -8.868 -3.410 1.00 0.00 H new ATOM 0 HB3 GLU A 72 1.452 -8.843 -4.897 1.00 0.00 H new ATOM 0 HG2 GLU A 72 2.512 -8.498 -2.052 1.00 0.00 H new ATOM 0 HG3 GLU A 72 2.892 -9.788 -3.175 1.00 0.00 H new ATOM 1125 N GLU A 73 -1.238 -6.931 -3.970 1.00 0.00 N ATOM 1126 CA GLU A 73 -2.592 -6.652 -4.533 1.00 0.00 C ATOM 1127 C GLU A 73 -2.715 -5.154 -4.824 1.00 0.00 C ATOM 1128 O GLU A 73 -3.346 -4.749 -5.781 1.00 0.00 O ATOM 1129 CB GLU A 73 -3.661 -7.071 -3.519 1.00 0.00 C ATOM 1130 CG GLU A 73 -5.021 -7.186 -4.215 1.00 0.00 C ATOM 1131 CD GLU A 73 -6.084 -7.604 -3.194 1.00 0.00 C ATOM 1132 OE1 GLU A 73 -6.632 -6.727 -2.546 1.00 0.00 O ATOM 1133 OE2 GLU A 73 -6.331 -8.793 -3.077 1.00 0.00 O ATOM 0 H GLU A 73 -1.235 -7.394 -3.061 1.00 0.00 H new ATOM 0 HA GLU A 73 -2.732 -7.215 -5.456 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -3.392 -8.026 -3.067 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -3.716 -6.340 -2.712 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -5.292 -6.232 -4.668 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -4.968 -7.918 -5.021 1.00 0.00 H new ATOM 1140 N LEU A 74 -2.108 -4.331 -4.009 1.00 0.00 N ATOM 1141 CA LEU A 74 -2.179 -2.860 -4.238 1.00 0.00 C ATOM 1142 C LEU A 74 -1.440 -2.519 -5.536 1.00 0.00 C ATOM 1143 O LEU A 74 -1.887 -1.703 -6.319 1.00 0.00 O ATOM 1144 CB LEU A 74 -1.531 -2.129 -3.054 1.00 0.00 C ATOM 1145 CG LEU A 74 -1.333 -0.646 -3.399 1.00 0.00 C ATOM 1146 CD1 LEU A 74 -1.581 0.211 -2.154 1.00 0.00 C ATOM 1147 CD2 LEU A 74 0.102 -0.422 -3.894 1.00 0.00 C ATOM 0 H LEU A 74 -1.566 -4.616 -3.194 1.00 0.00 H new ATOM 0 HA LEU A 74 -3.219 -2.545 -4.323 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -2.160 -2.224 -2.169 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -0.571 -2.587 -2.814 1.00 0.00 H new ATOM 0 HG LEU A 74 -2.037 -0.361 -4.181 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -1.440 1.263 -2.402 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -2.601 0.055 -1.802 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -0.879 -0.074 -1.370 1.00 0.00 H new ATOM 0 HD21 LEU A 74 0.242 0.631 -4.139 1.00 0.00 H new ATOM 0 HD22 LEU A 74 0.805 -0.710 -3.113 1.00 0.00 H new ATOM 0 HD23 LEU A 74 0.279 -1.028 -4.783 1.00 0.00 H new ATOM 1159 N TYR A 75 -0.315 -3.148 -5.773 1.00 0.00 N ATOM 1160 CA TYR A 75 0.454 -2.873 -7.024 1.00 0.00 C ATOM 1161 C TYR A 75 -0.394 -3.286 -8.229 1.00 0.00 C ATOM 1162 O TYR A 75 -0.268 -2.740 -9.309 1.00 0.00 O ATOM 1163 CB TYR A 75 1.758 -3.678 -7.011 1.00 0.00 C ATOM 1164 CG TYR A 75 2.938 -2.743 -7.154 1.00 0.00 C ATOM 1165 CD1 TYR A 75 3.288 -1.890 -6.100 1.00 0.00 C ATOM 1166 CD2 TYR A 75 3.686 -2.733 -8.340 1.00 0.00 C ATOM 1167 CE1 TYR A 75 4.382 -1.028 -6.230 1.00 0.00 C ATOM 1168 CE2 TYR A 75 4.781 -1.869 -8.468 1.00 0.00 C ATOM 1169 CZ TYR A 75 5.129 -1.017 -7.413 1.00 0.00 C ATOM 1170 OH TYR A 75 6.208 -0.167 -7.539 1.00 0.00 O ATOM 0 H TYR A 75 0.104 -3.841 -5.152 1.00 0.00 H new ATOM 0 HA TYR A 75 0.690 -1.811 -7.087 1.00 0.00 H new ATOM 0 HB2 TYR A 75 1.839 -4.241 -6.081 1.00 0.00 H new ATOM 0 HB3 TYR A 75 1.756 -4.404 -7.824 1.00 0.00 H new ATOM 0 HD1 TYR A 75 2.713 -1.898 -5.186 1.00 0.00 H new ATOM 0 HD2 TYR A 75 3.418 -3.391 -9.154 1.00 0.00 H new ATOM 0 HE1 TYR A 75 4.650 -0.370 -5.416 1.00 0.00 H new ATOM 0 HE2 TYR A 75 5.357 -1.860 -9.381 1.00 0.00 H new ATOM 0 HH TYR A 75 6.617 -0.286 -8.421 1.00 0.00 H new ATOM 1180 N ARG A 76 -1.267 -4.241 -8.040 1.00 0.00 N ATOM 1181 CA ARG A 76 -2.142 -4.693 -9.158 1.00 0.00 C ATOM 1182 C ARG A 76 -3.112 -3.561 -9.507 1.00 0.00 C ATOM 1183 O ARG A 76 -2.996 -2.934 -10.542 1.00 0.00 O ATOM 1184 CB ARG A 76 -2.927 -5.937 -8.725 1.00 0.00 C ATOM 1185 CG ARG A 76 -3.442 -6.682 -9.962 1.00 0.00 C ATOM 1186 CD ARG A 76 -2.455 -7.789 -10.343 1.00 0.00 C ATOM 1187 NE ARG A 76 -2.504 -8.873 -9.320 1.00 0.00 N ATOM 1188 CZ ARG A 76 -2.312 -10.115 -9.671 1.00 0.00 C ATOM 1189 NH1 ARG A 76 -1.105 -10.606 -9.702 1.00 0.00 N ATOM 1190 NH2 ARG A 76 -3.331 -10.867 -9.991 1.00 0.00 N ATOM 0 H ARG A 76 -1.411 -4.728 -7.155 1.00 0.00 H new ATOM 0 HA ARG A 76 -1.537 -4.944 -10.030 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -2.289 -6.593 -8.133 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -3.763 -5.647 -8.089 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -4.424 -7.110 -9.759 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -3.563 -5.987 -10.793 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -2.704 -8.190 -11.326 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -1.446 -7.383 -10.410 1.00 0.00 H new ATOM 0 HE ARG A 76 -2.688 -8.643 -8.343 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -0.309 -10.019 -9.452 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -0.956 -11.577 -9.977 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -4.276 -10.483 -9.966 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -3.182 -11.838 -10.266 1.00 0.00 H new ATOM 1204 N LEU A 77 -4.076 -3.313 -8.656 1.00 0.00 N ATOM 1205 CA LEU A 77 -5.074 -2.237 -8.928 1.00 0.00 C ATOM 1206 C LEU A 77 -4.356 -0.952 -9.359 1.00 0.00 C ATOM 1207 O LEU A 77 -4.878 -0.183 -10.137 1.00 0.00 O ATOM 1208 CB LEU A 77 -5.897 -1.966 -7.660 1.00 0.00 C ATOM 1209 CG LEU A 77 -6.996 -3.030 -7.498 1.00 0.00 C ATOM 1210 CD1 LEU A 77 -7.908 -3.038 -8.730 1.00 0.00 C ATOM 1211 CD2 LEU A 77 -6.361 -4.414 -7.326 1.00 0.00 C ATOM 0 H LEU A 77 -4.214 -3.814 -7.779 1.00 0.00 H new ATOM 0 HA LEU A 77 -5.737 -2.561 -9.730 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -5.245 -1.972 -6.787 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -6.347 -0.975 -7.715 1.00 0.00 H new ATOM 0 HG LEU A 77 -7.588 -2.790 -6.615 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -8.682 -3.795 -8.605 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -8.373 -2.059 -8.845 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -7.318 -3.266 -9.618 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -7.145 -5.162 -7.212 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -5.759 -4.650 -8.204 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -5.726 -4.415 -6.440 1.00 0.00 H new ATOM 1223 N LEU A 78 -3.159 -0.721 -8.878 1.00 0.00 N ATOM 1224 CA LEU A 78 -2.416 0.509 -9.289 1.00 0.00 C ATOM 1225 C LEU A 78 -2.246 0.498 -10.810 1.00 0.00 C ATOM 1226 O LEU A 78 -2.921 1.215 -11.519 1.00 0.00 O ATOM 1227 CB LEU A 78 -1.041 0.526 -8.609 1.00 0.00 C ATOM 1228 CG LEU A 78 -0.188 1.681 -9.154 1.00 0.00 C ATOM 1229 CD1 LEU A 78 -0.709 3.014 -8.610 1.00 0.00 C ATOM 1230 CD2 LEU A 78 1.264 1.485 -8.711 1.00 0.00 C ATOM 0 H LEU A 78 -2.667 -1.328 -8.222 1.00 0.00 H new ATOM 0 HA LEU A 78 -2.970 1.399 -8.990 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -1.163 0.633 -7.531 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -0.532 -0.423 -8.780 1.00 0.00 H new ATOM 0 HG LEU A 78 -0.246 1.691 -10.242 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -0.100 3.829 -9.000 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -1.744 3.154 -8.921 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -0.654 3.009 -7.521 1.00 0.00 H new ATOM 0 HD21 LEU A 78 1.875 2.302 -9.095 1.00 0.00 H new ATOM 0 HD22 LEU A 78 1.314 1.475 -7.622 1.00 0.00 H new ATOM 0 HD23 LEU A 78 1.638 0.538 -9.100 1.00 0.00 H new ATOM 1242 N GLU A 79 -1.353 -0.316 -11.311 1.00 0.00 N ATOM 1243 CA GLU A 79 -1.145 -0.387 -12.788 1.00 0.00 C ATOM 1244 C GLU A 79 -2.504 -0.590 -13.469 1.00 0.00 C ATOM 1245 O GLU A 79 -2.824 0.051 -14.451 1.00 0.00 O ATOM 1246 CB GLU A 79 -0.215 -1.558 -13.120 1.00 0.00 C ATOM 1247 CG GLU A 79 1.146 -1.338 -12.449 1.00 0.00 C ATOM 1248 CD GLU A 79 2.122 -2.434 -12.886 1.00 0.00 C ATOM 1249 OE1 GLU A 79 2.657 -2.322 -13.976 1.00 0.00 O ATOM 1250 OE2 GLU A 79 2.319 -3.363 -12.121 1.00 0.00 O ATOM 0 H GLU A 79 -0.758 -0.935 -10.760 1.00 0.00 H new ATOM 0 HA GLU A 79 -0.690 0.537 -13.145 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -0.655 -2.494 -12.776 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -0.090 -1.642 -14.200 1.00 0.00 H new ATOM 0 HG2 GLU A 79 1.541 -0.358 -12.718 1.00 0.00 H new ATOM 0 HG3 GLU A 79 1.034 -1.349 -11.365 1.00 0.00 H new ATOM 1257 N ALA A 80 -3.305 -1.478 -12.935 1.00 0.00 N ATOM 1258 CA ALA A 80 -4.657 -1.748 -13.511 1.00 0.00 C ATOM 1259 C ALA A 80 -5.525 -0.482 -13.446 1.00 0.00 C ATOM 1260 O ALA A 80 -6.577 -0.413 -14.053 1.00 0.00 O ATOM 1261 CB ALA A 80 -5.332 -2.868 -12.715 1.00 0.00 C ATOM 0 H ALA A 80 -3.075 -2.035 -12.112 1.00 0.00 H new ATOM 0 HA ALA A 80 -4.546 -2.048 -14.553 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -6.319 -3.067 -13.133 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -4.725 -3.771 -12.771 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -5.434 -2.564 -11.673 1.00 0.00 H new ATOM 1267 N ARG A 81 -5.088 0.521 -12.727 1.00 0.00 N ATOM 1268 CA ARG A 81 -5.879 1.787 -12.633 1.00 0.00 C ATOM 1269 C ARG A 81 -5.137 2.894 -13.383 1.00 0.00 C ATOM 1270 O ARG A 81 -5.726 3.651 -14.131 1.00 0.00 O ATOM 1271 CB ARG A 81 -6.051 2.187 -11.163 1.00 0.00 C ATOM 1272 CG ARG A 81 -7.079 3.318 -11.051 1.00 0.00 C ATOM 1273 CD ARG A 81 -6.385 4.677 -11.207 1.00 0.00 C ATOM 1274 NE ARG A 81 -6.957 5.395 -12.382 1.00 0.00 N ATOM 1275 CZ ARG A 81 -8.157 5.903 -12.318 1.00 0.00 C ATOM 1276 NH1 ARG A 81 -8.326 7.124 -11.890 1.00 0.00 N ATOM 1277 NH2 ARG A 81 -9.187 5.190 -12.680 1.00 0.00 N ATOM 0 H ARG A 81 -4.215 0.518 -12.199 1.00 0.00 H new ATOM 0 HA ARG A 81 -6.864 1.636 -13.076 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -6.377 1.327 -10.578 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -5.095 2.509 -10.750 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -7.845 3.202 -11.818 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -7.584 3.267 -10.086 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -6.519 5.272 -10.303 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -5.312 4.536 -11.340 1.00 0.00 H new ATOM 0 HE ARG A 81 -6.409 5.489 -13.237 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -7.520 7.681 -11.606 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -9.264 7.522 -11.840 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -9.055 4.235 -13.013 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -10.125 5.587 -12.630 1.00 0.00 H new ATOM 1291 N THR A 82 -3.843 2.983 -13.205 1.00 0.00 N ATOM 1292 CA THR A 82 -3.059 4.031 -13.922 1.00 0.00 C ATOM 1293 C THR A 82 -3.013 3.673 -15.408 1.00 0.00 C ATOM 1294 O THR A 82 -3.142 4.522 -16.270 1.00 0.00 O ATOM 1295 CB THR A 82 -1.636 4.084 -13.359 1.00 0.00 C ATOM 1296 OG1 THR A 82 -1.058 2.786 -13.410 1.00 0.00 O ATOM 1297 CG2 THR A 82 -1.674 4.571 -11.909 1.00 0.00 C ATOM 0 H THR A 82 -3.297 2.375 -12.594 1.00 0.00 H new ATOM 0 HA THR A 82 -3.528 5.006 -13.788 1.00 0.00 H new ATOM 0 HB THR A 82 -1.037 4.773 -13.955 1.00 0.00 H new ATOM 0 HG1 THR A 82 -0.147 2.819 -13.051 1.00 0.00 H new ATOM 0 HG21 THR A 82 -0.660 4.608 -11.511 1.00 0.00 H new ATOM 0 HG22 THR A 82 -2.115 5.567 -11.871 1.00 0.00 H new ATOM 0 HG23 THR A 82 -2.274 3.886 -11.311 1.00 0.00 H new ATOM 1305 N GLY A 83 -2.828 2.416 -15.705 1.00 0.00 N ATOM 1306 CA GLY A 83 -2.769 1.973 -17.126 1.00 0.00 C ATOM 1307 C GLY A 83 -1.339 2.115 -17.642 1.00 0.00 C ATOM 1308 O GLY A 83 -1.092 2.071 -18.832 1.00 0.00 O ATOM 0 H GLY A 83 -2.714 1.671 -15.018 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -3.096 0.937 -17.209 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -3.448 2.571 -17.734 1.00 0.00 H new ATOM 1312 N LYS A 84 -0.393 2.277 -16.753 1.00 0.00 N ATOM 1313 CA LYS A 84 1.027 2.413 -17.182 1.00 0.00 C ATOM 1314 C LYS A 84 1.928 1.730 -16.151 1.00 0.00 C ATOM 1315 O LYS A 84 1.545 1.538 -15.013 1.00 0.00 O ATOM 1316 CB LYS A 84 1.394 3.898 -17.284 1.00 0.00 C ATOM 1317 CG LYS A 84 2.716 4.048 -18.044 1.00 0.00 C ATOM 1318 CD LYS A 84 3.079 5.532 -18.160 1.00 0.00 C ATOM 1319 CE LYS A 84 4.091 5.723 -19.293 1.00 0.00 C ATOM 1320 NZ LYS A 84 5.292 4.878 -19.037 1.00 0.00 N ATOM 0 H LYS A 84 -0.546 2.321 -15.745 1.00 0.00 H new ATOM 0 HA LYS A 84 1.163 1.944 -18.156 1.00 0.00 H new ATOM 0 HB2 LYS A 84 0.603 4.444 -17.798 1.00 0.00 H new ATOM 0 HB3 LYS A 84 1.484 4.330 -16.287 1.00 0.00 H new ATOM 0 HG2 LYS A 84 3.508 3.509 -17.524 1.00 0.00 H new ATOM 0 HG3 LYS A 84 2.628 3.606 -19.037 1.00 0.00 H new ATOM 0 HD2 LYS A 84 2.184 6.122 -18.355 1.00 0.00 H new ATOM 0 HD3 LYS A 84 3.498 5.889 -17.219 1.00 0.00 H new ATOM 0 HE2 LYS A 84 3.640 5.452 -20.247 1.00 0.00 H new ATOM 0 HE3 LYS A 84 4.380 6.772 -19.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 6.082 5.210 -19.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 5.556 4.945 -18.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 5.077 3.888 -19.273 1.00 0.00 H new ATOM 1334 N LYS A 85 3.119 1.361 -16.541 1.00 0.00 N ATOM 1335 CA LYS A 85 4.044 0.688 -15.586 1.00 0.00 C ATOM 1336 C LYS A 85 4.516 1.695 -14.530 1.00 0.00 C ATOM 1337 O LYS A 85 5.410 2.484 -14.764 1.00 0.00 O ATOM 1338 CB LYS A 85 5.251 0.116 -16.343 1.00 0.00 C ATOM 1339 CG LYS A 85 5.957 1.228 -17.135 1.00 0.00 C ATOM 1340 CD LYS A 85 6.531 0.651 -18.433 1.00 0.00 C ATOM 1341 CE LYS A 85 5.416 0.496 -19.472 1.00 0.00 C ATOM 1342 NZ LYS A 85 5.950 0.824 -20.826 1.00 0.00 N ATOM 0 H LYS A 85 3.491 1.497 -17.481 1.00 0.00 H new ATOM 0 HA LYS A 85 3.519 -0.129 -15.091 1.00 0.00 H new ATOM 0 HB2 LYS A 85 5.949 -0.338 -15.639 1.00 0.00 H new ATOM 0 HB3 LYS A 85 4.924 -0.672 -17.021 1.00 0.00 H new ATOM 0 HG2 LYS A 85 5.254 2.029 -17.361 1.00 0.00 H new ATOM 0 HG3 LYS A 85 6.755 1.665 -16.535 1.00 0.00 H new ATOM 0 HD2 LYS A 85 7.311 1.307 -18.819 1.00 0.00 H new ATOM 0 HD3 LYS A 85 6.995 -0.316 -18.238 1.00 0.00 H new ATOM 0 HE2 LYS A 85 5.031 -0.523 -19.458 1.00 0.00 H new ATOM 0 HE3 LYS A 85 4.583 1.155 -19.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 5.194 0.719 -21.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 6.298 1.804 -20.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 6.731 0.178 -21.057 1.00 0.00 H new ATOM 1356 N ALA A 86 3.919 1.666 -13.366 1.00 0.00 N ATOM 1357 CA ALA A 86 4.329 2.611 -12.286 1.00 0.00 C ATOM 1358 C ALA A 86 5.822 2.431 -12.003 1.00 0.00 C ATOM 1359 O ALA A 86 6.512 3.360 -11.631 1.00 0.00 O ATOM 1360 CB ALA A 86 3.529 2.305 -11.018 1.00 0.00 C ATOM 0 H ALA A 86 3.164 1.027 -13.117 1.00 0.00 H new ATOM 0 HA ALA A 86 4.137 3.637 -12.599 1.00 0.00 H new ATOM 0 HB1 ALA A 86 3.825 2.993 -10.226 1.00 0.00 H new ATOM 0 HB2 ALA A 86 2.465 2.423 -11.222 1.00 0.00 H new ATOM 0 HB3 ALA A 86 3.726 1.281 -10.702 1.00 0.00 H new