USER MOD reduce.3.24.130724 H: found=0, std=0, add=651, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 652 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 79 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 80 THR OG1 : rot -57:sc= 0.00493 USER MOD Single : A 10 HIS : no HD1:sc= -0.348 X(o=-0.35,f=-0.27) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot -64:sc= 0.396 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 CYS SG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= -1.24 K(o=-1.2,f=-0.5) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00449) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 HIS : no HE2:sc= 0.302 K(o=0.3,f=-1.3) USER MOD Single : A 49 GLN : amide:sc= -0.015 K(o=-0.015,f=-1.2) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -4.72! C(o=-4.7!,f=-3.6!) USER MOD Single : A 56 SER OG : rot 170:sc= -0.793 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 24:sc= 0.572! USER MOD Single : A 67 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00264) USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 105 N HIS A 10 -4.576 -4.229 -13.670 1.00 0.00 N ATOM 106 CA HIS A 10 -4.145 -3.272 -12.658 1.00 0.00 C ATOM 107 C HIS A 10 -3.155 -3.913 -11.691 1.00 0.00 C ATOM 108 O HIS A 10 -2.913 -5.119 -11.743 1.00 0.00 O ATOM 109 CB HIS A 10 -5.351 -2.732 -11.889 1.00 0.00 C ATOM 110 CG HIS A 10 -5.965 -1.517 -12.513 1.00 0.00 C ATOM 111 ND1 HIS A 10 -6.828 -1.576 -13.587 1.00 0.00 N ATOM 112 CD2 HIS A 10 -5.838 -0.204 -12.207 1.00 0.00 C ATOM 113 CE1 HIS A 10 -7.203 -0.353 -13.915 1.00 0.00 C ATOM 114 NE2 HIS A 10 -6.617 0.498 -13.093 1.00 0.00 N ATOM 0 HA HIS A 10 -3.647 -2.445 -13.164 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -6.106 -3.515 -11.818 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -5.044 -2.492 -10.871 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -5.236 0.213 -11.413 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -7.875 -0.093 -14.719 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -6.725 1.512 -13.113 1.00 0.00 H new ATOM 123 N TYR A 11 -2.584 -3.098 -10.810 1.00 0.00 N ATOM 124 CA TYR A 11 -1.618 -3.585 -9.833 1.00 0.00 C ATOM 125 C TYR A 11 -2.319 -4.069 -8.567 1.00 0.00 C ATOM 126 O TYR A 11 -3.346 -3.523 -8.167 1.00 0.00 O ATOM 127 CB TYR A 11 -0.614 -2.484 -9.484 1.00 0.00 C ATOM 128 CG TYR A 11 0.630 -2.505 -10.344 1.00 0.00 C ATOM 129 CD1 TYR A 11 0.540 -2.549 -11.730 1.00 0.00 C ATOM 130 CD2 TYR A 11 1.895 -2.478 -9.770 1.00 0.00 C ATOM 131 CE1 TYR A 11 1.674 -2.568 -12.519 1.00 0.00 C ATOM 132 CE2 TYR A 11 3.034 -2.496 -10.551 1.00 0.00 C ATOM 133 CZ TYR A 11 2.918 -2.541 -11.925 1.00 0.00 C ATOM 134 OH TYR A 11 4.050 -2.559 -12.707 1.00 0.00 O ATOM 0 H TYR A 11 -2.774 -2.097 -10.753 1.00 0.00 H new ATOM 0 HA TYR A 11 -1.085 -4.427 -10.276 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -1.101 -1.514 -9.587 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -0.324 -2.586 -8.438 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -0.433 -2.569 -12.198 1.00 0.00 H new ATOM 0 HD2 TYR A 11 1.989 -2.442 -8.695 1.00 0.00 H new ATOM 0 HE1 TYR A 11 1.587 -2.604 -13.595 1.00 0.00 H new ATOM 0 HE2 TYR A 11 4.010 -2.475 -10.089 1.00 0.00 H new ATOM 0 HH TYR A 11 4.844 -2.534 -12.133 1.00 0.00 H new ATOM 144 N GLU A 12 -1.754 -5.097 -7.942 1.00 0.00 N ATOM 145 CA GLU A 12 -2.325 -5.655 -6.722 1.00 0.00 C ATOM 146 C GLU A 12 -1.481 -5.282 -5.506 1.00 0.00 C ATOM 147 O GLU A 12 -0.364 -5.771 -5.338 1.00 0.00 O ATOM 148 CB GLU A 12 -2.434 -7.177 -6.833 1.00 0.00 C ATOM 149 CG GLU A 12 -3.186 -7.645 -8.068 1.00 0.00 C ATOM 150 CD GLU A 12 -2.941 -9.109 -8.380 1.00 0.00 C ATOM 151 OE1 GLU A 12 -1.808 -9.448 -8.779 1.00 0.00 O ATOM 152 OE2 GLU A 12 -3.883 -9.914 -8.226 1.00 0.00 O ATOM 0 H GLU A 12 -0.902 -5.560 -8.260 1.00 0.00 H new ATOM 0 HA GLU A 12 -3.323 -5.235 -6.593 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -1.431 -7.605 -6.845 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -2.935 -7.563 -5.945 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -4.254 -7.482 -7.922 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -2.885 -7.040 -8.923 1.00 0.00 H new ATOM 159 N VAL A 13 -2.024 -4.412 -4.661 1.00 0.00 N ATOM 160 CA VAL A 13 -1.322 -3.973 -3.460 1.00 0.00 C ATOM 161 C VAL A 13 -2.073 -4.392 -2.201 1.00 0.00 C ATOM 162 O VAL A 13 -3.161 -3.892 -1.921 1.00 0.00 O ATOM 163 CB VAL A 13 -1.134 -2.444 -3.448 1.00 0.00 C ATOM 164 CG1 VAL A 13 -0.463 -1.999 -2.157 1.00 0.00 C ATOM 165 CG2 VAL A 13 -0.329 -1.997 -4.658 1.00 0.00 C ATOM 0 H VAL A 13 -2.947 -3.997 -4.785 1.00 0.00 H new ATOM 0 HA VAL A 13 -0.343 -4.452 -3.472 1.00 0.00 H new ATOM 0 HB VAL A 13 -2.116 -1.974 -3.500 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -0.338 -0.916 -2.166 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -1.083 -2.286 -1.307 1.00 0.00 H new ATOM 0 HG13 VAL A 13 0.513 -2.476 -2.071 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -0.206 -0.914 -4.633 1.00 0.00 H new ATOM 0 HG22 VAL A 13 0.651 -2.474 -4.640 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -0.854 -2.282 -5.570 1.00 0.00 H new ATOM 175 N GLU A 14 -1.482 -5.312 -1.446 1.00 0.00 N ATOM 176 CA GLU A 14 -2.095 -5.799 -0.215 1.00 0.00 C ATOM 177 C GLU A 14 -1.432 -5.173 1.008 1.00 0.00 C ATOM 178 O GLU A 14 -0.348 -5.587 1.419 1.00 0.00 O ATOM 179 CB GLU A 14 -1.997 -7.324 -0.138 1.00 0.00 C ATOM 180 CG GLU A 14 -0.569 -7.843 -0.155 1.00 0.00 C ATOM 181 CD GLU A 14 -0.457 -9.222 -0.776 1.00 0.00 C ATOM 182 OE1 GLU A 14 -0.613 -10.219 -0.041 1.00 0.00 O ATOM 183 OE2 GLU A 14 -0.213 -9.303 -1.998 1.00 0.00 O ATOM 0 H GLU A 14 -0.580 -5.735 -1.664 1.00 0.00 H new ATOM 0 HA GLU A 14 -3.146 -5.510 -0.224 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -2.488 -7.666 0.773 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -2.542 -7.758 -0.976 1.00 0.00 H new ATOM 0 HG2 GLU A 14 0.060 -7.147 -0.710 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -0.186 -7.876 0.865 1.00 0.00 H new ATOM 190 N ILE A 15 -2.090 -4.173 1.584 1.00 0.00 N ATOM 191 CA ILE A 15 -1.565 -3.490 2.760 1.00 0.00 C ATOM 192 C ILE A 15 -1.775 -4.324 4.019 1.00 0.00 C ATOM 193 O ILE A 15 -2.865 -4.338 4.593 1.00 0.00 O ATOM 194 CB ILE A 15 -2.227 -2.113 2.954 1.00 0.00 C ATOM 195 CG1 ILE A 15 -1.965 -1.221 1.738 1.00 0.00 C ATOM 196 CG2 ILE A 15 -1.712 -1.452 4.223 1.00 0.00 C ATOM 197 CD1 ILE A 15 -2.778 0.054 1.737 1.00 0.00 C ATOM 0 H ILE A 15 -2.988 -3.818 1.256 1.00 0.00 H new ATOM 0 HA ILE A 15 -0.497 -3.350 2.593 1.00 0.00 H new ATOM 0 HB ILE A 15 -3.303 -2.254 3.052 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -0.906 -0.967 1.706 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -2.185 -1.784 0.831 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -2.189 -0.480 4.346 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -1.945 -2.082 5.082 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -0.632 -1.320 4.152 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -2.541 0.636 0.847 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -3.840 -0.192 1.738 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -2.540 0.638 2.626 1.00 0.00 H new ATOM 209 N LEU A 16 -0.725 -5.017 4.445 1.00 0.00 N ATOM 210 CA LEU A 16 -0.793 -5.852 5.639 1.00 0.00 C ATOM 211 C LEU A 16 -0.195 -5.132 6.843 1.00 0.00 C ATOM 212 O LEU A 16 0.433 -4.082 6.702 1.00 0.00 O ATOM 213 CB LEU A 16 -0.057 -7.173 5.403 1.00 0.00 C ATOM 214 CG LEU A 16 -0.737 -8.160 4.455 1.00 0.00 C ATOM 215 CD1 LEU A 16 0.235 -9.250 4.031 1.00 0.00 C ATOM 216 CD2 LEU A 16 -1.969 -8.768 5.111 1.00 0.00 C ATOM 0 H LEU A 16 0.184 -5.017 3.981 1.00 0.00 H new ATOM 0 HA LEU A 16 -1.843 -6.059 5.848 1.00 0.00 H new ATOM 0 HB2 LEU A 16 0.935 -6.948 5.011 1.00 0.00 H new ATOM 0 HB3 LEU A 16 0.085 -7.664 6.366 1.00 0.00 H new ATOM 0 HG LEU A 16 -1.054 -7.618 3.564 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -0.267 -9.943 3.356 1.00 0.00 H new ATOM 0 HD12 LEU A 16 1.087 -8.800 3.521 1.00 0.00 H new ATOM 0 HD13 LEU A 16 0.584 -9.789 4.912 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -2.440 -9.468 4.421 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -1.675 -9.295 6.019 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -2.675 -7.977 5.363 1.00 0.00 H new ATOM 228 N ASP A 17 -0.392 -5.703 8.026 1.00 0.00 N ATOM 229 CA ASP A 17 0.130 -5.117 9.255 1.00 0.00 C ATOM 230 C ASP A 17 1.562 -5.577 9.510 1.00 0.00 C ATOM 231 O ASP A 17 1.984 -6.625 9.022 1.00 0.00 O ATOM 232 CB ASP A 17 -0.759 -5.493 10.442 1.00 0.00 C ATOM 233 CG ASP A 17 -0.362 -4.769 11.714 1.00 0.00 C ATOM 234 OD1 ASP A 17 0.332 -3.736 11.616 1.00 0.00 O ATOM 235 OD2 ASP A 17 -0.745 -5.237 12.807 1.00 0.00 O ATOM 0 H ASP A 17 -0.910 -6.572 8.160 1.00 0.00 H new ATOM 0 HA ASP A 17 0.130 -4.033 9.141 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -1.797 -5.260 10.203 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -0.704 -6.569 10.607 1.00 0.00 H new ATOM 240 N ALA A 18 2.304 -4.786 10.278 1.00 0.00 N ATOM 241 CA ALA A 18 3.688 -5.112 10.599 1.00 0.00 C ATOM 242 C ALA A 18 3.777 -5.920 11.889 1.00 0.00 C ATOM 243 O ALA A 18 4.865 -6.295 12.326 1.00 0.00 O ATOM 244 CB ALA A 18 4.517 -3.842 10.712 1.00 0.00 C ATOM 0 H ALA A 18 1.970 -3.915 10.690 1.00 0.00 H new ATOM 0 HA ALA A 18 4.088 -5.723 9.790 1.00 0.00 H new ATOM 0 HB1 ALA A 18 5.548 -4.101 10.952 1.00 0.00 H new ATOM 0 HB2 ALA A 18 4.489 -3.304 9.765 1.00 0.00 H new ATOM 0 HB3 ALA A 18 4.109 -3.210 11.501 1.00 0.00 H new ATOM 250 N LYS A 19 2.625 -6.186 12.495 1.00 0.00 N ATOM 251 CA LYS A 19 2.571 -6.950 13.736 1.00 0.00 C ATOM 252 C LYS A 19 1.720 -8.204 13.566 1.00 0.00 C ATOM 253 O LYS A 19 2.218 -9.325 13.672 1.00 0.00 O ATOM 254 CB LYS A 19 2.007 -6.087 14.867 1.00 0.00 C ATOM 255 CG LYS A 19 2.333 -6.613 16.254 1.00 0.00 C ATOM 256 CD LYS A 19 1.832 -5.674 17.338 1.00 0.00 C ATOM 257 CE LYS A 19 2.250 -6.147 18.722 1.00 0.00 C ATOM 258 NZ LYS A 19 1.283 -7.128 19.289 1.00 0.00 N ATOM 0 H LYS A 19 1.715 -5.884 12.147 1.00 0.00 H new ATOM 0 HA LYS A 19 3.586 -7.253 13.991 1.00 0.00 H new ATOM 0 HB2 LYS A 19 2.399 -5.075 14.770 1.00 0.00 H new ATOM 0 HB3 LYS A 19 0.924 -6.022 14.758 1.00 0.00 H new ATOM 0 HG2 LYS A 19 1.882 -7.597 16.386 1.00 0.00 H new ATOM 0 HG3 LYS A 19 3.411 -6.741 16.352 1.00 0.00 H new ATOM 0 HD2 LYS A 19 2.222 -4.672 17.162 1.00 0.00 H new ATOM 0 HD3 LYS A 19 0.745 -5.606 17.288 1.00 0.00 H new ATOM 0 HE2 LYS A 19 3.239 -6.602 18.667 1.00 0.00 H new ATOM 0 HE3 LYS A 19 2.331 -5.289 19.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 1.604 -7.426 20.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 0.345 -6.686 19.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 1.225 -7.958 18.665 1.00 0.00 H new ATOM 272 N THR A 20 0.432 -8.008 13.300 1.00 0.00 N ATOM 273 CA THR A 20 -0.489 -9.123 13.115 1.00 0.00 C ATOM 274 C THR A 20 -0.510 -9.583 11.661 1.00 0.00 C ATOM 275 O THR A 20 -1.101 -10.612 11.335 1.00 0.00 O ATOM 276 CB THR A 20 -1.920 -8.747 13.543 1.00 0.00 C ATOM 277 OG1 THR A 20 -2.447 -7.746 12.664 1.00 0.00 O ATOM 278 CG2 THR A 20 -1.939 -8.233 14.974 1.00 0.00 C ATOM 0 H THR A 20 0.003 -7.087 13.208 1.00 0.00 H new ATOM 0 HA THR A 20 -0.131 -9.937 13.746 1.00 0.00 H new ATOM 0 HB THR A 20 -2.540 -9.642 13.487 1.00 0.00 H new ATOM 0 HG1 THR A 20 -1.922 -6.923 12.753 1.00 0.00 H new ATOM 0 HG21 THR A 20 -2.960 -7.974 15.254 1.00 0.00 H new ATOM 0 HG22 THR A 20 -1.565 -9.007 15.644 1.00 0.00 H new ATOM 0 HG23 THR A 20 -1.306 -7.349 15.052 1.00 0.00 H new ATOM 286 N ARG A 21 0.140 -8.815 10.793 1.00 0.00 N ATOM 287 CA ARG A 21 0.196 -9.145 9.374 1.00 0.00 C ATOM 288 C ARG A 21 -1.176 -9.575 8.862 1.00 0.00 C ATOM 289 O ARG A 21 -1.299 -10.578 8.160 1.00 0.00 O ATOM 290 CB ARG A 21 1.217 -10.257 9.126 1.00 0.00 C ATOM 291 CG ARG A 21 2.478 -10.123 9.963 1.00 0.00 C ATOM 292 CD ARG A 21 3.673 -10.765 9.276 1.00 0.00 C ATOM 293 NE ARG A 21 3.682 -12.217 9.437 1.00 0.00 N ATOM 294 CZ ARG A 21 4.421 -13.034 8.695 1.00 0.00 C ATOM 295 NH1 ARG A 21 5.208 -12.544 7.747 1.00 0.00 N ATOM 296 NH2 ARG A 21 4.374 -14.344 8.902 1.00 0.00 N ATOM 0 H ARG A 21 0.635 -7.960 11.047 1.00 0.00 H new ATOM 0 HA ARG A 21 0.504 -8.252 8.831 1.00 0.00 H new ATOM 0 HB2 ARG A 21 0.752 -11.220 9.337 1.00 0.00 H new ATOM 0 HB3 ARG A 21 1.490 -10.259 8.071 1.00 0.00 H new ATOM 0 HG2 ARG A 21 2.685 -9.068 10.145 1.00 0.00 H new ATOM 0 HG3 ARG A 21 2.322 -10.590 10.936 1.00 0.00 H new ATOM 0 HD2 ARG A 21 3.657 -10.518 8.214 1.00 0.00 H new ATOM 0 HD3 ARG A 21 4.593 -10.349 9.686 1.00 0.00 H new ATOM 0 HE ARG A 21 3.088 -12.626 10.159 1.00 0.00 H new ATOM 0 HH11 ARG A 21 5.247 -11.538 7.586 1.00 0.00 H new ATOM 0 HH12 ARG A 21 5.775 -13.174 7.179 1.00 0.00 H new ATOM 0 HH21 ARG A 21 3.770 -14.724 9.631 1.00 0.00 H new ATOM 0 HH22 ARG A 21 4.942 -14.971 8.332 1.00 0.00 H new ATOM 310 N GLU A 22 -2.202 -8.810 9.219 1.00 0.00 N ATOM 311 CA GLU A 22 -3.564 -9.114 8.796 1.00 0.00 C ATOM 312 C GLU A 22 -3.988 -8.216 7.637 1.00 0.00 C ATOM 313 O GLU A 22 -3.612 -7.045 7.574 1.00 0.00 O ATOM 314 CB GLU A 22 -4.535 -8.945 9.967 1.00 0.00 C ATOM 315 CG GLU A 22 -4.692 -10.197 10.813 1.00 0.00 C ATOM 316 CD GLU A 22 -5.307 -11.349 10.043 1.00 0.00 C ATOM 317 OE1 GLU A 22 -6.446 -11.194 9.555 1.00 0.00 O ATOM 318 OE2 GLU A 22 -4.650 -12.405 9.927 1.00 0.00 O ATOM 0 H GLU A 22 -2.116 -7.976 9.800 1.00 0.00 H new ATOM 0 HA GLU A 22 -3.589 -10.150 8.458 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -4.188 -8.129 10.601 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -5.511 -8.654 9.579 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -3.716 -10.499 11.193 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -5.315 -9.970 11.679 1.00 0.00 H new ATOM 325 N LYS A 23 -4.771 -8.774 6.720 1.00 0.00 N ATOM 326 CA LYS A 23 -5.248 -8.026 5.563 1.00 0.00 C ATOM 327 C LYS A 23 -6.108 -6.843 5.996 1.00 0.00 C ATOM 328 O LYS A 23 -7.235 -7.019 6.460 1.00 0.00 O ATOM 329 CB LYS A 23 -6.049 -8.940 4.634 1.00 0.00 C ATOM 330 CG LYS A 23 -6.269 -8.357 3.248 1.00 0.00 C ATOM 331 CD LYS A 23 -5.150 -8.744 2.296 1.00 0.00 C ATOM 332 CE LYS A 23 -5.285 -10.187 1.834 1.00 0.00 C ATOM 333 NZ LYS A 23 -4.605 -10.418 0.530 1.00 0.00 N ATOM 0 H LYS A 23 -5.089 -9.743 6.756 1.00 0.00 H new ATOM 0 HA LYS A 23 -4.380 -7.644 5.026 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -5.529 -9.894 4.540 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -7.017 -9.148 5.089 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -7.222 -8.707 2.852 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -6.332 -7.271 3.315 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -5.162 -8.081 1.431 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -4.188 -8.607 2.789 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -4.861 -10.851 2.587 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -6.341 -10.442 1.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -4.720 -11.413 0.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -5.027 -9.803 -0.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -3.592 -10.199 0.623 1.00 0.00 H new ATOM 347 N LEU A 24 -5.570 -5.638 5.840 1.00 0.00 N ATOM 348 CA LEU A 24 -6.290 -4.425 6.213 1.00 0.00 C ATOM 349 C LEU A 24 -7.001 -3.821 5.007 1.00 0.00 C ATOM 350 O LEU A 24 -8.119 -3.316 5.121 1.00 0.00 O ATOM 351 CB LEU A 24 -5.326 -3.402 6.817 1.00 0.00 C ATOM 352 CG LEU A 24 -4.374 -3.930 7.891 1.00 0.00 C ATOM 353 CD1 LEU A 24 -3.355 -2.866 8.270 1.00 0.00 C ATOM 354 CD2 LEU A 24 -5.152 -4.386 9.117 1.00 0.00 C ATOM 0 H LEU A 24 -4.638 -5.475 5.458 1.00 0.00 H new ATOM 0 HA LEU A 24 -7.040 -4.692 6.957 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.731 -2.973 6.011 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.912 -2.590 7.247 1.00 0.00 H new ATOM 0 HG LEU A 24 -3.839 -4.789 7.485 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -2.686 -3.259 9.035 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.776 -2.587 7.390 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -3.872 -1.988 8.657 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -4.458 -4.759 9.870 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.714 -3.546 9.525 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -5.842 -5.181 8.835 1.00 0.00 H new ATOM 366 N CYS A 25 -6.346 -3.877 3.852 1.00 0.00 N ATOM 367 CA CYS A 25 -6.917 -3.336 2.623 1.00 0.00 C ATOM 368 C CYS A 25 -6.317 -4.019 1.399 1.00 0.00 C ATOM 369 O CYS A 25 -5.151 -4.414 1.404 1.00 0.00 O ATOM 370 CB CYS A 25 -6.679 -1.827 2.548 1.00 0.00 C ATOM 371 SG CYS A 25 -7.934 -0.928 1.605 1.00 0.00 S ATOM 0 H CYS A 25 -5.420 -4.291 3.741 1.00 0.00 H new ATOM 0 HA CYS A 25 -7.990 -3.528 2.634 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -6.643 -1.425 3.560 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -5.703 -1.646 2.098 1.00 0.00 H new ATOM 0 HG CYS A 25 -7.648 0.340 1.600 1.00 0.00 H new ATOM 377 N PHE A 26 -7.123 -4.157 0.351 1.00 0.00 N ATOM 378 CA PHE A 26 -6.673 -4.796 -0.880 1.00 0.00 C ATOM 379 C PHE A 26 -7.052 -3.958 -2.098 1.00 0.00 C ATOM 380 O PHE A 26 -8.205 -3.961 -2.533 1.00 0.00 O ATOM 381 CB PHE A 26 -7.276 -6.197 -1.003 1.00 0.00 C ATOM 382 CG PHE A 26 -6.617 -7.043 -2.055 1.00 0.00 C ATOM 383 CD1 PHE A 26 -5.328 -7.518 -1.873 1.00 0.00 C ATOM 384 CD2 PHE A 26 -7.286 -7.363 -3.225 1.00 0.00 C ATOM 385 CE1 PHE A 26 -4.719 -8.296 -2.840 1.00 0.00 C ATOM 386 CE2 PHE A 26 -6.683 -8.141 -4.195 1.00 0.00 C ATOM 387 CZ PHE A 26 -5.398 -8.609 -4.002 1.00 0.00 C ATOM 0 H PHE A 26 -8.091 -3.835 0.330 1.00 0.00 H new ATOM 0 HA PHE A 26 -5.587 -4.878 -0.841 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -7.199 -6.703 -0.041 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -8.338 -6.108 -1.232 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -4.793 -7.278 -0.966 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -8.291 -7.000 -3.381 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -3.713 -8.659 -2.687 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -7.216 -8.383 -5.103 1.00 0.00 H new ATOM 0 HZ PHE A 26 -4.925 -9.218 -4.758 1.00 0.00 H new ATOM 397 N LEU A 27 -6.076 -3.241 -2.642 1.00 0.00 N ATOM 398 CA LEU A 27 -6.306 -2.397 -3.810 1.00 0.00 C ATOM 399 C LEU A 27 -5.785 -3.066 -5.077 1.00 0.00 C ATOM 400 O LEU A 27 -4.603 -2.964 -5.404 1.00 0.00 O ATOM 401 CB LEU A 27 -5.630 -1.037 -3.622 1.00 0.00 C ATOM 402 CG LEU A 27 -6.139 -0.190 -2.456 1.00 0.00 C ATOM 403 CD1 LEU A 27 -5.085 0.822 -2.032 1.00 0.00 C ATOM 404 CD2 LEU A 27 -7.434 0.514 -2.834 1.00 0.00 C ATOM 0 H LEU A 27 -5.117 -3.227 -2.294 1.00 0.00 H new ATOM 0 HA LEU A 27 -7.381 -2.250 -3.915 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -4.561 -1.201 -3.486 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -5.751 -0.464 -4.541 1.00 0.00 H new ATOM 0 HG LEU A 27 -6.340 -0.850 -1.613 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -5.465 1.416 -1.201 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -4.182 0.298 -1.720 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -4.852 1.478 -2.871 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -7.782 1.112 -1.992 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -7.258 1.163 -3.692 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -8.191 -0.228 -3.089 1.00 0.00 H new ATOM 416 N ASP A 28 -6.676 -3.750 -5.788 1.00 0.00 N ATOM 417 CA ASP A 28 -6.307 -4.433 -7.022 1.00 0.00 C ATOM 418 C ASP A 28 -6.526 -3.529 -8.231 1.00 0.00 C ATOM 419 O ASP A 28 -6.473 -3.980 -9.375 1.00 0.00 O ATOM 420 CB ASP A 28 -7.118 -5.721 -7.179 1.00 0.00 C ATOM 421 CG ASP A 28 -6.466 -6.703 -8.132 1.00 0.00 C ATOM 422 OD1 ASP A 28 -5.746 -6.252 -9.048 1.00 0.00 O ATOM 423 OD2 ASP A 28 -6.676 -7.922 -7.963 1.00 0.00 O ATOM 0 H ASP A 28 -7.658 -3.846 -5.530 1.00 0.00 H new ATOM 0 HA ASP A 28 -5.248 -4.684 -6.966 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -7.239 -6.192 -6.203 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -8.117 -5.476 -7.541 1.00 0.00 H new ATOM 428 N LYS A 29 -6.774 -2.250 -7.969 1.00 0.00 N ATOM 429 CA LYS A 29 -7.002 -1.281 -9.035 1.00 0.00 C ATOM 430 C LYS A 29 -6.068 -0.084 -8.890 1.00 0.00 C ATOM 431 O LYS A 29 -6.472 1.060 -9.096 1.00 0.00 O ATOM 432 CB LYS A 29 -8.458 -0.810 -9.021 1.00 0.00 C ATOM 433 CG LYS A 29 -9.433 -1.832 -9.580 1.00 0.00 C ATOM 434 CD LYS A 29 -9.938 -2.771 -8.498 1.00 0.00 C ATOM 435 CE LYS A 29 -10.853 -3.842 -9.071 1.00 0.00 C ATOM 436 NZ LYS A 29 -12.228 -3.325 -9.314 1.00 0.00 N ATOM 0 H LYS A 29 -6.822 -1.860 -7.028 1.00 0.00 H new ATOM 0 HA LYS A 29 -6.794 -1.769 -9.987 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -8.744 -0.570 -7.997 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -8.539 0.111 -9.599 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -10.277 -1.318 -10.039 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -8.946 -2.409 -10.366 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -9.091 -3.243 -8.000 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -10.475 -2.200 -7.741 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -10.435 -4.215 -10.006 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -10.899 -4.686 -8.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -12.821 -4.085 -9.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -12.637 -2.993 -8.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -12.188 -2.536 -9.990 1.00 0.00 H new ATOM 450 N VAL A 30 -4.816 -0.356 -8.535 1.00 0.00 N ATOM 451 CA VAL A 30 -3.824 0.699 -8.365 1.00 0.00 C ATOM 452 C VAL A 30 -2.989 0.877 -9.629 1.00 0.00 C ATOM 453 O VAL A 30 -2.755 -0.078 -10.369 1.00 0.00 O ATOM 454 CB VAL A 30 -2.885 0.401 -7.181 1.00 0.00 C ATOM 455 CG1 VAL A 30 -1.961 1.582 -6.922 1.00 0.00 C ATOM 456 CG2 VAL A 30 -3.689 0.059 -5.937 1.00 0.00 C ATOM 0 H VAL A 30 -4.465 -1.298 -8.360 1.00 0.00 H new ATOM 0 HA VAL A 30 -4.372 1.619 -8.162 1.00 0.00 H new ATOM 0 HB VAL A 30 -2.269 -0.462 -7.436 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -1.305 1.353 -6.082 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -1.359 1.775 -7.810 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -2.556 2.465 -6.688 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -3.010 -0.149 -5.110 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -4.331 0.900 -5.676 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -4.303 -0.820 -6.131 1.00 0.00 H new ATOM 466 N GLU A 31 -2.544 2.106 -9.869 1.00 0.00 N ATOM 467 CA GLU A 31 -1.735 2.409 -11.044 1.00 0.00 C ATOM 468 C GLU A 31 -0.256 2.160 -10.766 1.00 0.00 C ATOM 469 O GLU A 31 0.233 2.349 -9.652 1.00 0.00 O ATOM 470 CB GLU A 31 -1.947 3.862 -11.475 1.00 0.00 C ATOM 471 CG GLU A 31 -3.387 4.187 -11.834 1.00 0.00 C ATOM 472 CD GLU A 31 -3.754 3.742 -13.236 1.00 0.00 C ATOM 473 OE1 GLU A 31 -2.891 3.835 -14.134 1.00 0.00 O ATOM 474 OE2 GLU A 31 -4.905 3.300 -13.435 1.00 0.00 O ATOM 0 H GLU A 31 -2.730 2.908 -9.266 1.00 0.00 H new ATOM 0 HA GLU A 31 -2.051 1.748 -11.851 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -1.625 4.522 -10.669 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -1.311 4.074 -12.334 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -4.053 3.706 -11.118 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -3.546 5.262 -11.745 1.00 0.00 H new ATOM 481 N PRO A 32 0.476 1.724 -11.802 1.00 0.00 N ATOM 482 CA PRO A 32 1.910 1.440 -11.695 1.00 0.00 C ATOM 483 C PRO A 32 2.740 2.706 -11.515 1.00 0.00 C ATOM 484 O PRO A 32 3.735 2.709 -10.789 1.00 0.00 O ATOM 485 CB PRO A 32 2.239 0.770 -13.031 1.00 0.00 C ATOM 486 CG PRO A 32 1.206 1.280 -13.976 1.00 0.00 C ATOM 487 CD PRO A 32 -0.041 1.477 -13.159 1.00 0.00 C ATOM 0 HA PRO A 32 2.140 0.824 -10.826 1.00 0.00 H new ATOM 0 HB2 PRO A 32 3.244 1.028 -13.366 1.00 0.00 H new ATOM 0 HB3 PRO A 32 2.199 -0.316 -12.949 1.00 0.00 H new ATOM 0 HG2 PRO A 32 1.524 2.216 -14.434 1.00 0.00 H new ATOM 0 HG3 PRO A 32 1.034 0.571 -14.786 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -0.632 2.318 -13.523 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -0.685 0.598 -13.190 1.00 0.00 H new ATOM 495 N HIS A 33 2.325 3.780 -12.179 1.00 0.00 N ATOM 496 CA HIS A 33 3.031 5.053 -12.090 1.00 0.00 C ATOM 497 C HIS A 33 2.745 5.742 -10.759 1.00 0.00 C ATOM 498 O HIS A 33 3.530 6.568 -10.296 1.00 0.00 O ATOM 499 CB HIS A 33 2.626 5.966 -13.248 1.00 0.00 C ATOM 500 CG HIS A 33 1.144 6.125 -13.395 1.00 0.00 C ATOM 501 ND1 HIS A 33 0.425 5.557 -14.426 1.00 0.00 N ATOM 502 CD2 HIS A 33 0.245 6.790 -12.633 1.00 0.00 C ATOM 503 CE1 HIS A 33 -0.852 5.869 -14.293 1.00 0.00 C ATOM 504 NE2 HIS A 33 -0.988 6.616 -13.213 1.00 0.00 N ATOM 0 H HIS A 33 1.504 3.794 -12.784 1.00 0.00 H new ATOM 0 HA HIS A 33 4.101 4.852 -12.152 1.00 0.00 H new ATOM 0 HB2 HIS A 33 3.076 6.948 -13.100 1.00 0.00 H new ATOM 0 HB3 HIS A 33 3.034 5.565 -14.176 1.00 0.00 H new ATOM 0 HD2 HIS A 33 0.457 7.353 -11.736 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -1.649 5.565 -14.955 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -1.866 7.001 -12.866 1.00 0.00 H new ATOM 513 N ALA A 34 1.615 5.396 -10.150 1.00 0.00 N ATOM 514 CA ALA A 34 1.227 5.980 -8.873 1.00 0.00 C ATOM 515 C ALA A 34 2.338 5.830 -7.840 1.00 0.00 C ATOM 516 O ALA A 34 2.923 4.756 -7.691 1.00 0.00 O ATOM 517 CB ALA A 34 -0.056 5.336 -8.367 1.00 0.00 C ATOM 0 H ALA A 34 0.953 4.714 -10.521 1.00 0.00 H new ATOM 0 HA ALA A 34 1.051 7.045 -9.027 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -0.335 5.782 -7.412 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -0.855 5.499 -9.090 1.00 0.00 H new ATOM 0 HB3 ALA A 34 0.102 4.265 -8.236 1.00 0.00 H new ATOM 523 N THR A 35 2.628 6.915 -7.128 1.00 0.00 N ATOM 524 CA THR A 35 3.671 6.905 -6.110 1.00 0.00 C ATOM 525 C THR A 35 3.108 6.514 -4.749 1.00 0.00 C ATOM 526 O THR A 35 1.894 6.399 -4.579 1.00 0.00 O ATOM 527 CB THR A 35 4.355 8.281 -5.994 1.00 0.00 C ATOM 528 OG1 THR A 35 3.420 9.254 -5.516 1.00 0.00 O ATOM 529 CG2 THR A 35 4.914 8.723 -7.338 1.00 0.00 C ATOM 0 H THR A 35 2.155 7.812 -7.238 1.00 0.00 H new ATOM 0 HA THR A 35 4.409 6.165 -6.421 1.00 0.00 H new ATOM 0 HB THR A 35 5.180 8.194 -5.287 1.00 0.00 H new ATOM 0 HG1 THR A 35 3.863 10.125 -5.443 1.00 0.00 H new ATOM 0 HG21 THR A 35 5.392 9.697 -7.231 1.00 0.00 H new ATOM 0 HG22 THR A 35 5.648 7.995 -7.684 1.00 0.00 H new ATOM 0 HG23 THR A 35 4.104 8.794 -8.063 1.00 0.00 H new ATOM 537 N ILE A 36 3.997 6.309 -3.783 1.00 0.00 N ATOM 538 CA ILE A 36 3.587 5.932 -2.436 1.00 0.00 C ATOM 539 C ILE A 36 2.602 6.942 -1.858 1.00 0.00 C ATOM 540 O ILE A 36 1.589 6.569 -1.268 1.00 0.00 O ATOM 541 CB ILE A 36 4.798 5.814 -1.491 1.00 0.00 C ATOM 542 CG1 ILE A 36 5.822 4.830 -2.060 1.00 0.00 C ATOM 543 CG2 ILE A 36 4.348 5.377 -0.105 1.00 0.00 C ATOM 544 CD1 ILE A 36 5.316 3.407 -2.135 1.00 0.00 C ATOM 0 H ILE A 36 5.005 6.398 -3.908 1.00 0.00 H new ATOM 0 HA ILE A 36 3.102 4.959 -2.515 1.00 0.00 H new ATOM 0 HB ILE A 36 5.271 6.792 -1.406 1.00 0.00 H new ATOM 0 HG12 ILE A 36 6.112 5.157 -3.059 1.00 0.00 H new ATOM 0 HG13 ILE A 36 6.720 4.856 -1.443 1.00 0.00 H new ATOM 0 HG21 ILE A 36 5.215 5.298 0.551 1.00 0.00 H new ATOM 0 HG22 ILE A 36 3.652 6.112 0.300 1.00 0.00 H new ATOM 0 HG23 ILE A 36 3.854 4.408 -0.172 1.00 0.00 H new ATOM 0 HD11 ILE A 36 6.094 2.765 -2.548 1.00 0.00 H new ATOM 0 HD12 ILE A 36 5.053 3.061 -1.135 1.00 0.00 H new ATOM 0 HD13 ILE A 36 4.435 3.367 -2.776 1.00 0.00 H new ATOM 556 N ALA A 37 2.906 8.224 -2.033 1.00 0.00 N ATOM 557 CA ALA A 37 2.045 9.289 -1.532 1.00 0.00 C ATOM 558 C ALA A 37 0.588 9.038 -1.905 1.00 0.00 C ATOM 559 O ALA A 37 -0.303 9.137 -1.062 1.00 0.00 O ATOM 560 CB ALA A 37 2.505 10.636 -2.070 1.00 0.00 C ATOM 0 H ALA A 37 3.742 8.550 -2.518 1.00 0.00 H new ATOM 0 HA ALA A 37 2.118 9.300 -0.444 1.00 0.00 H new ATOM 0 HB1 ALA A 37 1.854 11.422 -1.688 1.00 0.00 H new ATOM 0 HB2 ALA A 37 3.529 10.826 -1.749 1.00 0.00 H new ATOM 0 HB3 ALA A 37 2.462 10.627 -3.159 1.00 0.00 H new ATOM 566 N GLU A 38 0.354 8.713 -3.173 1.00 0.00 N ATOM 567 CA GLU A 38 -0.997 8.450 -3.656 1.00 0.00 C ATOM 568 C GLU A 38 -1.608 7.252 -2.936 1.00 0.00 C ATOM 569 O GLU A 38 -2.757 7.299 -2.495 1.00 0.00 O ATOM 570 CB GLU A 38 -0.982 8.199 -5.165 1.00 0.00 C ATOM 571 CG GLU A 38 -0.450 9.372 -5.972 1.00 0.00 C ATOM 572 CD GLU A 38 -0.629 9.181 -7.466 1.00 0.00 C ATOM 573 OE1 GLU A 38 -1.579 8.475 -7.863 1.00 0.00 O ATOM 574 OE2 GLU A 38 0.180 9.738 -8.236 1.00 0.00 O ATOM 0 H GLU A 38 1.081 8.626 -3.883 1.00 0.00 H new ATOM 0 HA GLU A 38 -1.608 9.328 -3.447 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -0.372 7.320 -5.373 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -1.995 7.970 -5.497 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -0.962 10.283 -5.662 1.00 0.00 H new ATOM 0 HG3 GLU A 38 0.608 9.510 -5.751 1.00 0.00 H new ATOM 581 N ILE A 39 -0.832 6.179 -2.821 1.00 0.00 N ATOM 582 CA ILE A 39 -1.297 4.969 -2.155 1.00 0.00 C ATOM 583 C ILE A 39 -1.986 5.298 -0.835 1.00 0.00 C ATOM 584 O ILE A 39 -3.076 4.801 -0.550 1.00 0.00 O ATOM 585 CB ILE A 39 -0.136 3.994 -1.886 1.00 0.00 C ATOM 586 CG1 ILE A 39 0.589 3.656 -3.190 1.00 0.00 C ATOM 587 CG2 ILE A 39 -0.651 2.728 -1.217 1.00 0.00 C ATOM 588 CD1 ILE A 39 -0.339 3.213 -4.300 1.00 0.00 C ATOM 0 H ILE A 39 0.121 6.123 -3.180 1.00 0.00 H new ATOM 0 HA ILE A 39 -2.012 4.494 -2.826 1.00 0.00 H new ATOM 0 HB ILE A 39 0.573 4.475 -1.212 1.00 0.00 H new ATOM 0 HG12 ILE A 39 1.148 4.530 -3.522 1.00 0.00 H new ATOM 0 HG13 ILE A 39 1.316 2.867 -2.998 1.00 0.00 H new ATOM 0 HG21 ILE A 39 0.182 2.049 -1.033 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -1.126 2.984 -0.270 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -1.378 2.243 -1.868 1.00 0.00 H new ATOM 0 HD11 ILE A 39 0.243 2.990 -5.194 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -0.880 2.320 -3.987 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -1.050 4.010 -4.520 1.00 0.00 H new ATOM 600 N LYS A 40 -1.344 6.140 -0.033 1.00 0.00 N ATOM 601 CA LYS A 40 -1.895 6.540 1.257 1.00 0.00 C ATOM 602 C LYS A 40 -3.317 7.071 1.100 1.00 0.00 C ATOM 603 O LYS A 40 -4.233 6.632 1.794 1.00 0.00 O ATOM 604 CB LYS A 40 -1.010 7.607 1.904 1.00 0.00 C ATOM 605 CG LYS A 40 0.185 7.036 2.649 1.00 0.00 C ATOM 606 CD LYS A 40 1.372 6.830 1.724 1.00 0.00 C ATOM 607 CE LYS A 40 2.682 6.803 2.496 1.00 0.00 C ATOM 608 NZ LYS A 40 3.240 8.171 2.689 1.00 0.00 N ATOM 0 H LYS A 40 -0.441 6.559 -0.253 1.00 0.00 H new ATOM 0 HA LYS A 40 -1.923 5.661 1.900 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -0.654 8.289 1.132 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -1.612 8.195 2.596 1.00 0.00 H new ATOM 0 HG2 LYS A 40 0.466 7.710 3.459 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -0.090 6.086 3.106 1.00 0.00 H new ATOM 0 HD2 LYS A 40 1.251 5.894 1.178 1.00 0.00 H new ATOM 0 HD3 LYS A 40 1.401 7.630 0.984 1.00 0.00 H new ATOM 0 HE2 LYS A 40 2.522 6.336 3.468 1.00 0.00 H new ATOM 0 HE3 LYS A 40 3.406 6.187 1.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 4.133 8.110 3.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 3.417 8.608 1.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 2.560 8.751 3.221 1.00 0.00 H new ATOM 622 N ASN A 41 -3.493 8.016 0.182 1.00 0.00 N ATOM 623 CA ASN A 41 -4.803 8.606 -0.066 1.00 0.00 C ATOM 624 C ASN A 41 -5.855 7.522 -0.284 1.00 0.00 C ATOM 625 O ASN A 41 -6.875 7.484 0.405 1.00 0.00 O ATOM 626 CB ASN A 41 -4.747 9.531 -1.284 1.00 0.00 C ATOM 627 CG ASN A 41 -4.363 10.950 -0.915 1.00 0.00 C ATOM 628 OD1 ASN A 41 -5.214 11.757 -0.539 1.00 0.00 O ATOM 629 ND2 ASN A 41 -3.077 11.262 -1.021 1.00 0.00 N ATOM 0 H ASN A 41 -2.745 8.389 -0.402 1.00 0.00 H new ATOM 0 HA ASN A 41 -5.084 9.189 0.811 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -4.028 9.138 -2.002 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -5.719 9.537 -1.777 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -2.759 12.203 -0.787 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -2.407 10.561 -1.337 1.00 0.00 H new ATOM 636 N LEU A 42 -5.599 6.643 -1.247 1.00 0.00 N ATOM 637 CA LEU A 42 -6.523 5.558 -1.556 1.00 0.00 C ATOM 638 C LEU A 42 -7.082 4.938 -0.280 1.00 0.00 C ATOM 639 O LEU A 42 -8.289 4.728 -0.156 1.00 0.00 O ATOM 640 CB LEU A 42 -5.820 4.486 -2.391 1.00 0.00 C ATOM 641 CG LEU A 42 -5.547 4.846 -3.852 1.00 0.00 C ATOM 642 CD1 LEU A 42 -4.321 4.105 -4.364 1.00 0.00 C ATOM 643 CD2 LEU A 42 -6.760 4.533 -4.715 1.00 0.00 C ATOM 0 H LEU A 42 -4.760 6.661 -1.827 1.00 0.00 H new ATOM 0 HA LEU A 42 -7.352 5.972 -2.130 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -4.870 4.246 -1.913 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -6.426 3.580 -2.368 1.00 0.00 H new ATOM 0 HG LEU A 42 -5.351 5.917 -3.911 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -4.142 4.373 -5.405 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -3.453 4.379 -3.764 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -4.488 3.030 -4.290 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -6.547 4.796 -5.751 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -6.988 3.469 -4.650 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -7.615 5.110 -4.363 1.00 0.00 H new ATOM 655 N PHE A 43 -6.197 4.650 0.669 1.00 0.00 N ATOM 656 CA PHE A 43 -6.603 4.055 1.937 1.00 0.00 C ATOM 657 C PHE A 43 -7.430 5.040 2.760 1.00 0.00 C ATOM 658 O PHE A 43 -8.411 4.661 3.400 1.00 0.00 O ATOM 659 CB PHE A 43 -5.373 3.615 2.734 1.00 0.00 C ATOM 660 CG PHE A 43 -5.710 2.841 3.977 1.00 0.00 C ATOM 661 CD1 PHE A 43 -6.395 3.444 5.020 1.00 0.00 C ATOM 662 CD2 PHE A 43 -5.341 1.512 4.103 1.00 0.00 C ATOM 663 CE1 PHE A 43 -6.705 2.735 6.165 1.00 0.00 C ATOM 664 CE2 PHE A 43 -5.649 0.797 5.245 1.00 0.00 C ATOM 665 CZ PHE A 43 -6.333 1.409 6.277 1.00 0.00 C ATOM 0 H PHE A 43 -5.195 4.819 0.584 1.00 0.00 H new ATOM 0 HA PHE A 43 -7.219 3.182 1.720 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -4.736 3.003 2.096 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -4.794 4.496 3.010 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -6.690 4.480 4.937 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -4.806 1.028 3.299 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -7.238 3.217 6.972 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -5.355 -0.239 5.330 1.00 0.00 H new ATOM 0 HZ PHE A 43 -6.577 0.852 7.170 1.00 0.00 H new ATOM 675 N THR A 44 -7.025 6.306 2.738 1.00 0.00 N ATOM 676 CA THR A 44 -7.726 7.345 3.481 1.00 0.00 C ATOM 677 C THR A 44 -9.189 7.432 3.059 1.00 0.00 C ATOM 678 O THR A 44 -10.075 7.627 3.891 1.00 0.00 O ATOM 679 CB THR A 44 -7.064 8.721 3.283 1.00 0.00 C ATOM 680 OG1 THR A 44 -5.642 8.602 3.398 1.00 0.00 O ATOM 681 CG2 THR A 44 -7.578 9.722 4.308 1.00 0.00 C ATOM 0 H THR A 44 -6.215 6.636 2.213 1.00 0.00 H new ATOM 0 HA THR A 44 -7.670 7.071 4.535 1.00 0.00 H new ATOM 0 HB THR A 44 -7.319 9.081 2.286 1.00 0.00 H new ATOM 0 HG1 THR A 44 -5.229 9.481 3.269 1.00 0.00 H new ATOM 0 HG21 THR A 44 -7.096 10.686 4.148 1.00 0.00 H new ATOM 0 HG22 THR A 44 -8.657 9.833 4.199 1.00 0.00 H new ATOM 0 HG23 THR A 44 -7.350 9.364 5.312 1.00 0.00 H new ATOM 689 N LYS A 45 -9.435 7.285 1.762 1.00 0.00 N ATOM 690 CA LYS A 45 -10.791 7.344 1.228 1.00 0.00 C ATOM 691 C LYS A 45 -11.779 6.673 2.177 1.00 0.00 C ATOM 692 O LYS A 45 -12.689 7.317 2.700 1.00 0.00 O ATOM 693 CB LYS A 45 -10.850 6.673 -0.145 1.00 0.00 C ATOM 694 CG LYS A 45 -10.204 7.490 -1.250 1.00 0.00 C ATOM 695 CD LYS A 45 -10.367 6.824 -2.606 1.00 0.00 C ATOM 696 CE LYS A 45 -10.358 7.844 -3.734 1.00 0.00 C ATOM 697 NZ LYS A 45 -9.042 8.533 -3.848 1.00 0.00 N ATOM 0 H LYS A 45 -8.713 7.124 1.060 1.00 0.00 H new ATOM 0 HA LYS A 45 -11.069 8.393 1.125 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -10.357 5.702 -0.087 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -11.892 6.487 -0.404 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -10.650 8.484 -1.276 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -9.144 7.622 -1.034 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -9.562 6.105 -2.758 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -11.302 6.265 -2.628 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -10.590 7.346 -4.676 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -11.141 8.583 -3.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -9.065 9.196 -4.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -8.847 9.057 -2.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -8.293 7.828 -4.004 1.00 0.00 H new ATOM 711 N THR A 46 -11.593 5.375 2.396 1.00 0.00 N ATOM 712 CA THR A 46 -12.467 4.617 3.282 1.00 0.00 C ATOM 713 C THR A 46 -12.392 5.142 4.711 1.00 0.00 C ATOM 714 O THR A 46 -13.400 5.558 5.284 1.00 0.00 O ATOM 715 CB THR A 46 -12.108 3.119 3.279 1.00 0.00 C ATOM 716 OG1 THR A 46 -12.021 2.639 1.932 1.00 0.00 O ATOM 717 CG2 THR A 46 -13.147 2.312 4.044 1.00 0.00 C ATOM 0 H THR A 46 -10.845 4.827 1.972 1.00 0.00 H new ATOM 0 HA THR A 46 -13.482 4.741 2.905 1.00 0.00 H new ATOM 0 HB THR A 46 -11.143 2.998 3.771 1.00 0.00 H new ATOM 0 HG1 THR A 46 -11.791 1.686 1.938 1.00 0.00 H new ATOM 0 HG21 THR A 46 -12.872 1.257 4.028 1.00 0.00 H new ATOM 0 HG22 THR A 46 -13.191 2.660 5.076 1.00 0.00 H new ATOM 0 HG23 THR A 46 -14.123 2.440 3.576 1.00 0.00 H new ATOM 725 N HIS A 47 -11.192 5.122 5.282 1.00 0.00 N ATOM 726 CA HIS A 47 -10.985 5.599 6.645 1.00 0.00 C ATOM 727 C HIS A 47 -10.381 7.000 6.645 1.00 0.00 C ATOM 728 O HIS A 47 -9.175 7.182 6.482 1.00 0.00 O ATOM 729 CB HIS A 47 -10.075 4.638 7.411 1.00 0.00 C ATOM 730 CG HIS A 47 -10.501 3.205 7.316 1.00 0.00 C ATOM 731 ND1 HIS A 47 -9.906 2.298 6.465 1.00 0.00 N ATOM 732 CD2 HIS A 47 -11.468 2.524 7.973 1.00 0.00 C ATOM 733 CE1 HIS A 47 -10.490 1.121 6.602 1.00 0.00 C ATOM 734 NE2 HIS A 47 -11.441 1.231 7.511 1.00 0.00 N ATOM 0 H HIS A 47 -10.348 4.781 4.822 1.00 0.00 H new ATOM 0 HA HIS A 47 -11.955 5.641 7.140 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -9.058 4.732 7.030 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -10.051 4.932 8.460 1.00 0.00 H new ATOM 0 HD1 HIS A 47 -9.135 2.504 5.829 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -12.137 2.923 8.721 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -10.233 0.222 6.062 1.00 0.00 H new ATOM 743 N PRO A 48 -11.239 8.014 6.831 1.00 0.00 N ATOM 744 CA PRO A 48 -10.813 9.416 6.856 1.00 0.00 C ATOM 745 C PRO A 48 -9.994 9.751 8.099 1.00 0.00 C ATOM 746 O PRO A 48 -8.948 10.393 8.009 1.00 0.00 O ATOM 747 CB PRO A 48 -12.134 10.189 6.862 1.00 0.00 C ATOM 748 CG PRO A 48 -13.121 9.246 7.459 1.00 0.00 C ATOM 749 CD PRO A 48 -12.691 7.870 7.031 1.00 0.00 C ATOM 0 HA PRO A 48 -10.165 9.660 6.014 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -12.055 11.104 7.449 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -12.426 10.482 5.854 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -13.133 9.331 8.546 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -14.130 9.465 7.111 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -12.920 7.123 7.791 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -13.194 7.558 6.116 1.00 0.00 H new ATOM 757 N GLN A 49 -10.478 9.312 9.256 1.00 0.00 N ATOM 758 CA GLN A 49 -9.790 9.566 10.516 1.00 0.00 C ATOM 759 C GLN A 49 -8.300 9.264 10.394 1.00 0.00 C ATOM 760 O GLN A 49 -7.474 9.887 11.061 1.00 0.00 O ATOM 761 CB GLN A 49 -10.404 8.723 11.636 1.00 0.00 C ATOM 762 CG GLN A 49 -9.578 8.712 12.912 1.00 0.00 C ATOM 763 CD GLN A 49 -9.938 7.561 13.830 1.00 0.00 C ATOM 764 OE1 GLN A 49 -10.883 6.816 13.569 1.00 0.00 O ATOM 765 NE2 GLN A 49 -9.184 7.409 14.913 1.00 0.00 N ATOM 0 H GLN A 49 -11.343 8.779 9.347 1.00 0.00 H new ATOM 0 HA GLN A 49 -9.909 10.622 10.759 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -11.400 9.104 11.861 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -10.526 7.699 11.283 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -8.521 8.650 12.655 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -9.723 9.653 13.442 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -8.411 8.050 15.090 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -9.378 6.651 15.568 1.00 0.00 H new ATOM 774 N TRP A 50 -7.965 8.304 9.540 1.00 0.00 N ATOM 775 CA TRP A 50 -6.574 7.919 9.331 1.00 0.00 C ATOM 776 C TRP A 50 -5.911 8.814 8.290 1.00 0.00 C ATOM 777 O TRP A 50 -6.270 8.784 7.112 1.00 0.00 O ATOM 778 CB TRP A 50 -6.489 6.456 8.891 1.00 0.00 C ATOM 779 CG TRP A 50 -6.985 5.495 9.929 1.00 0.00 C ATOM 780 CD1 TRP A 50 -7.877 5.756 10.929 1.00 0.00 C ATOM 781 CD2 TRP A 50 -6.615 4.118 10.068 1.00 0.00 C ATOM 782 NE1 TRP A 50 -8.084 4.626 11.682 1.00 0.00 N ATOM 783 CE2 TRP A 50 -7.323 3.607 11.173 1.00 0.00 C ATOM 784 CE3 TRP A 50 -5.758 3.268 9.365 1.00 0.00 C ATOM 785 CZ2 TRP A 50 -7.196 2.285 11.591 1.00 0.00 C ATOM 786 CZ3 TRP A 50 -5.633 1.956 9.781 1.00 0.00 C ATOM 787 CH2 TRP A 50 -6.349 1.474 10.885 1.00 0.00 C ATOM 0 H TRP A 50 -8.637 7.778 8.981 1.00 0.00 H new ATOM 0 HA TRP A 50 -6.044 8.039 10.276 1.00 0.00 H new ATOM 0 HB2 TRP A 50 -7.069 6.324 7.977 1.00 0.00 H new ATOM 0 HB3 TRP A 50 -5.454 6.216 8.649 1.00 0.00 H new ATOM 0 HD1 TRP A 50 -8.351 6.711 11.103 1.00 0.00 H new ATOM 0 HE1 TRP A 50 -8.704 4.557 12.489 1.00 0.00 H new ATOM 0 HE3 TRP A 50 -5.203 3.630 8.512 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 -7.746 1.913 12.442 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 -4.972 1.290 9.246 1.00 0.00 H new ATOM 0 HH2 TRP A 50 -6.230 0.443 11.184 1.00 0.00 H new ATOM 798 N TYR A 51 -4.944 9.611 8.731 1.00 0.00 N ATOM 799 CA TYR A 51 -4.233 10.517 7.836 1.00 0.00 C ATOM 800 C TYR A 51 -2.993 9.845 7.254 1.00 0.00 C ATOM 801 O TYR A 51 -2.497 8.844 7.770 1.00 0.00 O ATOM 802 CB TYR A 51 -3.834 11.792 8.580 1.00 0.00 C ATOM 803 CG TYR A 51 -3.618 11.586 10.063 1.00 0.00 C ATOM 804 CD1 TYR A 51 -4.695 11.467 10.932 1.00 0.00 C ATOM 805 CD2 TYR A 51 -2.336 11.509 10.593 1.00 0.00 C ATOM 806 CE1 TYR A 51 -4.502 11.280 12.287 1.00 0.00 C ATOM 807 CE2 TYR A 51 -2.133 11.320 11.947 1.00 0.00 C ATOM 808 CZ TYR A 51 -3.219 11.206 12.790 1.00 0.00 C ATOM 809 OH TYR A 51 -3.023 11.018 14.138 1.00 0.00 O ATOM 0 H TYR A 51 -4.635 9.648 9.702 1.00 0.00 H new ATOM 0 HA TYR A 51 -4.902 10.777 7.016 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -2.919 12.188 8.140 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -4.609 12.545 8.435 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -5.701 11.522 10.542 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -1.484 11.598 9.936 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -5.351 11.192 12.949 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -1.130 11.262 12.343 1.00 0.00 H new ATOM 0 HH TYR A 51 -2.062 10.987 14.328 1.00 0.00 H new ATOM 819 N PRO A 52 -2.479 10.410 6.151 1.00 0.00 N ATOM 820 CA PRO A 52 -1.290 9.885 5.473 1.00 0.00 C ATOM 821 C PRO A 52 -0.019 10.091 6.290 1.00 0.00 C ATOM 822 O PRO A 52 1.038 9.555 5.957 1.00 0.00 O ATOM 823 CB PRO A 52 -1.231 10.699 4.178 1.00 0.00 C ATOM 824 CG PRO A 52 -1.942 11.969 4.496 1.00 0.00 C ATOM 825 CD PRO A 52 -3.018 11.605 5.481 1.00 0.00 C ATOM 0 HA PRO A 52 -1.354 8.809 5.313 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -0.201 10.887 3.875 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -1.713 10.170 3.356 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -1.258 12.704 4.920 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -2.370 12.413 3.597 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -3.204 12.413 6.189 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -3.964 11.394 4.982 1.00 0.00 H new ATOM 833 N ALA A 53 -0.129 10.870 7.361 1.00 0.00 N ATOM 834 CA ALA A 53 1.011 11.144 8.227 1.00 0.00 C ATOM 835 C ALA A 53 1.244 9.999 9.207 1.00 0.00 C ATOM 836 O ALA A 53 2.377 9.737 9.612 1.00 0.00 O ATOM 837 CB ALA A 53 0.802 12.450 8.978 1.00 0.00 C ATOM 0 H ALA A 53 -0.996 11.323 7.650 1.00 0.00 H new ATOM 0 HA ALA A 53 1.898 11.237 7.600 1.00 0.00 H new ATOM 0 HB1 ALA A 53 1.661 12.642 9.621 1.00 0.00 H new ATOM 0 HB2 ALA A 53 0.693 13.267 8.264 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -0.099 12.379 9.588 1.00 0.00 H new ATOM 843 N ARG A 54 0.165 9.322 9.585 1.00 0.00 N ATOM 844 CA ARG A 54 0.252 8.206 10.520 1.00 0.00 C ATOM 845 C ARG A 54 0.437 6.887 9.776 1.00 0.00 C ATOM 846 O ARG A 54 1.321 6.096 10.106 1.00 0.00 O ATOM 847 CB ARG A 54 -1.005 8.143 11.390 1.00 0.00 C ATOM 848 CG ARG A 54 -0.753 7.591 12.784 1.00 0.00 C ATOM 849 CD ARG A 54 -2.006 6.955 13.365 1.00 0.00 C ATOM 850 NE ARG A 54 -1.704 6.095 14.507 1.00 0.00 N ATOM 851 CZ ARG A 54 -2.544 5.182 14.981 1.00 0.00 C ATOM 852 NH1 ARG A 54 -3.730 5.009 14.414 1.00 0.00 N ATOM 853 NH2 ARG A 54 -2.197 4.438 16.024 1.00 0.00 N ATOM 0 H ARG A 54 -0.780 9.526 9.259 1.00 0.00 H new ATOM 0 HA ARG A 54 1.120 8.367 11.160 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -1.428 9.144 11.476 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -1.751 7.523 10.892 1.00 0.00 H new ATOM 0 HG2 ARG A 54 0.047 6.852 12.745 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -0.414 8.394 13.439 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -2.700 7.737 13.673 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -2.507 6.370 12.593 1.00 0.00 H new ATOM 0 HE ARG A 54 -0.799 6.202 14.965 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -3.999 5.578 13.611 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -4.373 4.307 14.780 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -1.285 4.567 16.462 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -2.842 3.737 16.388 1.00 0.00 H new ATOM 867 N GLN A 55 -0.404 6.656 8.773 1.00 0.00 N ATOM 868 CA GLN A 55 -0.334 5.432 7.984 1.00 0.00 C ATOM 869 C GLN A 55 1.077 5.209 7.449 1.00 0.00 C ATOM 870 O GLN A 55 1.437 5.718 6.388 1.00 0.00 O ATOM 871 CB GLN A 55 -1.329 5.491 6.823 1.00 0.00 C ATOM 872 CG GLN A 55 -2.778 5.345 7.257 1.00 0.00 C ATOM 873 CD GLN A 55 -3.712 5.081 6.092 1.00 0.00 C ATOM 874 OE1 GLN A 55 -3.958 3.930 5.727 1.00 0.00 O ATOM 875 NE2 GLN A 55 -4.237 6.147 5.500 1.00 0.00 N ATOM 0 H GLN A 55 -1.142 7.300 8.488 1.00 0.00 H new ATOM 0 HA GLN A 55 -0.593 4.596 8.633 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -1.209 6.440 6.300 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -1.090 4.702 6.110 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -2.858 4.528 7.974 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -3.093 6.253 7.772 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -4.006 7.082 5.835 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -4.872 6.031 4.710 1.00 0.00 H new ATOM 884 N SER A 56 1.872 4.445 8.192 1.00 0.00 N ATOM 885 CA SER A 56 3.245 4.158 7.794 1.00 0.00 C ATOM 886 C SER A 56 3.301 2.942 6.875 1.00 0.00 C ATOM 887 O SER A 56 2.666 1.920 7.137 1.00 0.00 O ATOM 888 CB SER A 56 4.116 3.918 9.029 1.00 0.00 C ATOM 889 OG SER A 56 5.253 3.137 8.707 1.00 0.00 O ATOM 0 H SER A 56 1.589 4.014 9.072 1.00 0.00 H new ATOM 0 HA SER A 56 3.628 5.021 7.250 1.00 0.00 H new ATOM 0 HB2 SER A 56 4.434 4.874 9.445 1.00 0.00 H new ATOM 0 HB3 SER A 56 3.531 3.414 9.798 1.00 0.00 H new ATOM 0 HG SER A 56 5.872 3.132 9.467 1.00 0.00 H new ATOM 895 N LEU A 57 4.066 3.060 5.795 1.00 0.00 N ATOM 896 CA LEU A 57 4.207 1.971 4.834 1.00 0.00 C ATOM 897 C LEU A 57 5.676 1.619 4.622 1.00 0.00 C ATOM 898 O LEU A 57 6.526 2.502 4.509 1.00 0.00 O ATOM 899 CB LEU A 57 3.565 2.356 3.500 1.00 0.00 C ATOM 900 CG LEU A 57 2.062 2.634 3.535 1.00 0.00 C ATOM 901 CD1 LEU A 57 1.595 3.213 2.208 1.00 0.00 C ATOM 902 CD2 LEU A 57 1.291 1.364 3.865 1.00 0.00 C ATOM 0 H LEU A 57 4.598 3.899 5.563 1.00 0.00 H new ATOM 0 HA LEU A 57 3.697 1.096 5.236 1.00 0.00 H new ATOM 0 HB2 LEU A 57 4.070 3.244 3.119 1.00 0.00 H new ATOM 0 HB3 LEU A 57 3.749 1.554 2.786 1.00 0.00 H new ATOM 0 HG LEU A 57 1.867 3.367 4.317 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.523 3.404 2.252 1.00 0.00 H new ATOM 0 HD12 LEU A 57 2.123 4.147 2.013 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.805 2.503 1.408 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.223 1.582 3.885 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.493 0.608 3.106 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.604 0.991 4.840 1.00 0.00 H new ATOM 914 N ARG A 58 5.966 0.323 4.565 1.00 0.00 N ATOM 915 CA ARG A 58 7.332 -0.145 4.365 1.00 0.00 C ATOM 916 C ARG A 58 7.350 -1.435 3.550 1.00 0.00 C ATOM 917 O ARG A 58 6.455 -2.273 3.673 1.00 0.00 O ATOM 918 CB ARG A 58 8.019 -0.371 5.713 1.00 0.00 C ATOM 919 CG ARG A 58 7.642 0.655 6.769 1.00 0.00 C ATOM 920 CD ARG A 58 7.984 0.167 8.168 1.00 0.00 C ATOM 921 NE ARG A 58 8.065 1.266 9.126 1.00 0.00 N ATOM 922 CZ ARG A 58 8.584 1.144 10.343 1.00 0.00 C ATOM 923 NH1 ARG A 58 9.066 -0.023 10.747 1.00 0.00 N ATOM 924 NH2 ARG A 58 8.622 2.190 11.158 1.00 0.00 N ATOM 0 H ARG A 58 5.274 -0.421 4.654 1.00 0.00 H new ATOM 0 HA ARG A 58 7.875 0.622 3.813 1.00 0.00 H new ATOM 0 HB2 ARG A 58 7.765 -1.366 6.078 1.00 0.00 H new ATOM 0 HB3 ARG A 58 9.099 -0.351 5.568 1.00 0.00 H new ATOM 0 HG2 ARG A 58 8.165 1.591 6.571 1.00 0.00 H new ATOM 0 HG3 ARG A 58 6.575 0.867 6.707 1.00 0.00 H new ATOM 0 HD2 ARG A 58 7.229 -0.547 8.498 1.00 0.00 H new ATOM 0 HD3 ARG A 58 8.936 -0.364 8.144 1.00 0.00 H new ATOM 0 HE ARG A 58 7.703 2.178 8.845 1.00 0.00 H new ATOM 0 HH11 ARG A 58 9.039 -0.830 10.123 1.00 0.00 H new ATOM 0 HH12 ARG A 58 9.464 -0.114 11.682 1.00 0.00 H new ATOM 0 HH21 ARG A 58 8.252 3.090 10.851 1.00 0.00 H new ATOM 0 HH22 ARG A 58 9.021 2.095 12.092 1.00 0.00 H new ATOM 938 N LEU A 59 8.374 -1.589 2.719 1.00 0.00 N ATOM 939 CA LEU A 59 8.509 -2.777 1.883 1.00 0.00 C ATOM 940 C LEU A 59 8.723 -4.023 2.737 1.00 0.00 C ATOM 941 O LEU A 59 8.554 -5.147 2.266 1.00 0.00 O ATOM 942 CB LEU A 59 9.675 -2.609 0.907 1.00 0.00 C ATOM 943 CG LEU A 59 9.747 -1.269 0.173 1.00 0.00 C ATOM 944 CD1 LEU A 59 11.186 -0.937 -0.191 1.00 0.00 C ATOM 945 CD2 LEU A 59 8.873 -1.295 -1.072 1.00 0.00 C ATOM 0 H LEU A 59 9.123 -0.906 2.606 1.00 0.00 H new ATOM 0 HA LEU A 59 7.585 -2.900 1.318 1.00 0.00 H new ATOM 0 HB2 LEU A 59 10.606 -2.750 1.456 1.00 0.00 H new ATOM 0 HB3 LEU A 59 9.619 -3.405 0.164 1.00 0.00 H new ATOM 0 HG LEU A 59 9.373 -0.491 0.839 1.00 0.00 H new ATOM 0 HD11 LEU A 59 11.218 0.020 -0.713 1.00 0.00 H new ATOM 0 HD12 LEU A 59 11.786 -0.876 0.717 1.00 0.00 H new ATOM 0 HD13 LEU A 59 11.587 -1.717 -0.839 1.00 0.00 H new ATOM 0 HD21 LEU A 59 8.937 -0.333 -1.581 1.00 0.00 H new ATOM 0 HD22 LEU A 59 9.217 -2.084 -1.741 1.00 0.00 H new ATOM 0 HD23 LEU A 59 7.839 -1.487 -0.786 1.00 0.00 H new ATOM 957 N ASP A 60 9.093 -3.814 3.996 1.00 0.00 N ATOM 958 CA ASP A 60 9.326 -4.920 4.917 1.00 0.00 C ATOM 959 C ASP A 60 9.172 -4.463 6.365 1.00 0.00 C ATOM 960 O ASP A 60 9.401 -3.301 6.702 1.00 0.00 O ATOM 961 CB ASP A 60 10.722 -5.506 4.701 1.00 0.00 C ATOM 962 CG ASP A 60 10.828 -6.286 3.405 1.00 0.00 C ATOM 963 OD1 ASP A 60 9.918 -7.092 3.121 1.00 0.00 O ATOM 964 OD2 ASP A 60 11.821 -6.088 2.674 1.00 0.00 O ATOM 0 H ASP A 60 9.238 -2.889 4.402 1.00 0.00 H new ATOM 0 HA ASP A 60 8.582 -5.690 4.716 1.00 0.00 H new ATOM 0 HB2 ASP A 60 11.455 -4.699 4.697 1.00 0.00 H new ATOM 0 HB3 ASP A 60 10.972 -6.160 5.537 1.00 0.00 H new ATOM 969 N PRO A 61 8.772 -5.396 7.241 1.00 0.00 N ATOM 970 CA PRO A 61 8.578 -5.113 8.666 1.00 0.00 C ATOM 971 C PRO A 61 9.894 -4.855 9.391 1.00 0.00 C ATOM 972 O PRO A 61 9.906 -4.403 10.536 1.00 0.00 O ATOM 973 CB PRO A 61 7.917 -6.388 9.194 1.00 0.00 C ATOM 974 CG PRO A 61 8.354 -7.459 8.255 1.00 0.00 C ATOM 975 CD PRO A 61 8.481 -6.801 6.908 1.00 0.00 C ATOM 0 HA PRO A 61 7.986 -4.212 8.825 1.00 0.00 H new ATOM 0 HB2 PRO A 61 8.232 -6.604 10.215 1.00 0.00 H new ATOM 0 HB3 PRO A 61 6.831 -6.294 9.209 1.00 0.00 H new ATOM 0 HG2 PRO A 61 9.304 -7.891 8.570 1.00 0.00 H new ATOM 0 HG3 PRO A 61 7.629 -8.272 8.225 1.00 0.00 H new ATOM 0 HD2 PRO A 61 9.280 -7.248 6.316 1.00 0.00 H new ATOM 0 HD3 PRO A 61 7.564 -6.895 6.327 1.00 0.00 H new ATOM 983 N LYS A 62 11.002 -5.144 8.717 1.00 0.00 N ATOM 984 CA LYS A 62 12.325 -4.943 9.295 1.00 0.00 C ATOM 985 C LYS A 62 13.192 -4.081 8.383 1.00 0.00 C ATOM 986 O LYS A 62 14.419 -4.140 8.440 1.00 0.00 O ATOM 987 CB LYS A 62 13.008 -6.290 9.541 1.00 0.00 C ATOM 988 CG LYS A 62 13.250 -7.090 8.273 1.00 0.00 C ATOM 989 CD LYS A 62 13.988 -8.386 8.563 1.00 0.00 C ATOM 990 CE LYS A 62 13.027 -9.500 8.948 1.00 0.00 C ATOM 991 NZ LYS A 62 13.608 -10.847 8.691 1.00 0.00 N ATOM 0 H LYS A 62 11.010 -5.519 7.768 1.00 0.00 H new ATOM 0 HA LYS A 62 12.203 -4.426 10.247 1.00 0.00 H new ATOM 0 HB2 LYS A 62 13.962 -6.118 10.040 1.00 0.00 H new ATOM 0 HB3 LYS A 62 12.394 -6.880 10.221 1.00 0.00 H new ATOM 0 HG2 LYS A 62 12.296 -7.313 7.795 1.00 0.00 H new ATOM 0 HG3 LYS A 62 13.828 -6.491 7.569 1.00 0.00 H new ATOM 0 HD2 LYS A 62 14.560 -8.685 7.684 1.00 0.00 H new ATOM 0 HD3 LYS A 62 14.703 -8.226 9.370 1.00 0.00 H new ATOM 0 HE2 LYS A 62 12.771 -9.410 10.004 1.00 0.00 H new ATOM 0 HE3 LYS A 62 12.100 -9.391 8.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 12.923 -11.579 8.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 13.829 -10.943 7.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 14.479 -10.961 9.248 1.00 0.00 H new ATOM 1005 N GLY A 63 12.544 -3.278 7.544 1.00 0.00 N ATOM 1006 CA GLY A 63 13.273 -2.414 6.633 1.00 0.00 C ATOM 1007 C GLY A 63 13.304 -0.973 7.101 1.00 0.00 C ATOM 1008 O GLY A 63 13.789 -0.677 8.194 1.00 0.00 O ATOM 0 H GLY A 63 11.528 -3.210 7.479 1.00 0.00 H new ATOM 0 HA2 GLY A 63 14.294 -2.781 6.528 1.00 0.00 H new ATOM 0 HA3 GLY A 63 12.814 -2.462 5.646 1.00 0.00 H new ATOM 1012 N LYS A 64 12.786 -0.072 6.273 1.00 0.00 N ATOM 1013 CA LYS A 64 12.756 1.347 6.607 1.00 0.00 C ATOM 1014 C LYS A 64 11.458 1.991 6.131 1.00 0.00 C ATOM 1015 O LYS A 64 10.612 1.331 5.526 1.00 0.00 O ATOM 1016 CB LYS A 64 13.953 2.065 5.979 1.00 0.00 C ATOM 1017 CG LYS A 64 15.294 1.606 6.527 1.00 0.00 C ATOM 1018 CD LYS A 64 16.394 2.608 6.219 1.00 0.00 C ATOM 1019 CE LYS A 64 17.668 2.289 6.986 1.00 0.00 C ATOM 1020 NZ LYS A 64 18.483 1.248 6.300 1.00 0.00 N ATOM 0 H LYS A 64 12.381 -0.300 5.365 1.00 0.00 H new ATOM 0 HA LYS A 64 12.811 1.440 7.692 1.00 0.00 H new ATOM 0 HB2 LYS A 64 13.937 1.906 4.901 1.00 0.00 H new ATOM 0 HB3 LYS A 64 13.850 3.137 6.144 1.00 0.00 H new ATOM 0 HG2 LYS A 64 15.219 1.467 7.605 1.00 0.00 H new ATOM 0 HG3 LYS A 64 15.552 0.638 6.098 1.00 0.00 H new ATOM 0 HD2 LYS A 64 16.602 2.605 5.149 1.00 0.00 H new ATOM 0 HD3 LYS A 64 16.055 3.612 6.475 1.00 0.00 H new ATOM 0 HE2 LYS A 64 18.260 3.197 7.100 1.00 0.00 H new ATOM 0 HE3 LYS A 64 17.412 1.947 7.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 19.342 1.059 6.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 17.927 0.373 6.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 18.749 1.584 5.352 1.00 0.00 H new ATOM 1034 N SER A 65 11.307 3.282 6.407 1.00 0.00 N ATOM 1035 CA SER A 65 10.110 4.014 6.009 1.00 0.00 C ATOM 1036 C SER A 65 10.166 4.384 4.530 1.00 0.00 C ATOM 1037 O SER A 65 11.079 5.081 4.086 1.00 0.00 O ATOM 1038 CB SER A 65 9.954 5.278 6.857 1.00 0.00 C ATOM 1039 OG SER A 65 10.923 6.250 6.506 1.00 0.00 O ATOM 0 H SER A 65 11.998 3.843 6.905 1.00 0.00 H new ATOM 0 HA SER A 65 9.248 3.367 6.171 1.00 0.00 H new ATOM 0 HB2 SER A 65 8.954 5.690 6.720 1.00 0.00 H new ATOM 0 HB3 SER A 65 10.053 5.026 7.913 1.00 0.00 H new ATOM 0 HG SER A 65 11.224 6.095 5.586 1.00 0.00 H new ATOM 1045 N LEU A 66 9.183 3.912 3.771 1.00 0.00 N ATOM 1046 CA LEU A 66 9.118 4.192 2.341 1.00 0.00 C ATOM 1047 C LEU A 66 8.989 5.690 2.085 1.00 0.00 C ATOM 1048 O LEU A 66 8.571 6.447 2.961 1.00 0.00 O ATOM 1049 CB LEU A 66 7.939 3.451 1.709 1.00 0.00 C ATOM 1050 CG LEU A 66 8.227 2.035 1.208 1.00 0.00 C ATOM 1051 CD1 LEU A 66 6.945 1.218 1.152 1.00 0.00 C ATOM 1052 CD2 LEU A 66 8.894 2.078 -0.159 1.00 0.00 C ATOM 0 H LEU A 66 8.420 3.333 4.122 1.00 0.00 H new ATOM 0 HA LEU A 66 10.044 3.843 1.885 1.00 0.00 H new ATOM 0 HB2 LEU A 66 7.134 3.399 2.442 1.00 0.00 H new ATOM 0 HB3 LEU A 66 7.570 4.043 0.872 1.00 0.00 H new ATOM 0 HG LEU A 66 8.910 1.554 1.908 1.00 0.00 H new ATOM 0 HD11 LEU A 66 7.169 0.213 0.793 1.00 0.00 H new ATOM 0 HD12 LEU A 66 6.508 1.158 2.149 1.00 0.00 H new ATOM 0 HD13 LEU A 66 6.238 1.696 0.474 1.00 0.00 H new ATOM 0 HD21 LEU A 66 9.091 1.062 -0.500 1.00 0.00 H new ATOM 0 HD22 LEU A 66 8.235 2.577 -0.870 1.00 0.00 H new ATOM 0 HD23 LEU A 66 9.834 2.626 -0.088 1.00 0.00 H new ATOM 1064 N LYS A 67 9.348 6.111 0.877 1.00 0.00 N ATOM 1065 CA LYS A 67 9.268 7.518 0.502 1.00 0.00 C ATOM 1066 C LYS A 67 8.454 7.696 -0.775 1.00 0.00 C ATOM 1067 O LYS A 67 8.440 6.821 -1.641 1.00 0.00 O ATOM 1068 CB LYS A 67 10.673 8.096 0.309 1.00 0.00 C ATOM 1069 CG LYS A 67 11.550 7.988 1.544 1.00 0.00 C ATOM 1070 CD LYS A 67 12.850 8.755 1.374 1.00 0.00 C ATOM 1071 CE LYS A 67 13.607 8.868 2.688 1.00 0.00 C ATOM 1072 NZ LYS A 67 13.019 9.905 3.580 1.00 0.00 N ATOM 0 H LYS A 67 9.697 5.498 0.141 1.00 0.00 H new ATOM 0 HA LYS A 67 8.768 8.055 1.308 1.00 0.00 H new ATOM 0 HB2 LYS A 67 11.159 7.578 -0.518 1.00 0.00 H new ATOM 0 HB3 LYS A 67 10.589 9.145 0.024 1.00 0.00 H new ATOM 0 HG2 LYS A 67 11.010 8.373 2.409 1.00 0.00 H new ATOM 0 HG3 LYS A 67 11.769 6.939 1.745 1.00 0.00 H new ATOM 0 HD2 LYS A 67 13.475 8.254 0.635 1.00 0.00 H new ATOM 0 HD3 LYS A 67 12.637 9.752 0.989 1.00 0.00 H new ATOM 0 HE2 LYS A 67 13.597 7.904 3.197 1.00 0.00 H new ATOM 0 HE3 LYS A 67 14.650 9.112 2.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 13.584 9.975 4.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 13.020 10.824 3.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 12.042 9.642 3.821 1.00 0.00 H new ATOM 1086 N ASP A 68 7.779 8.835 -0.887 1.00 0.00 N ATOM 1087 CA ASP A 68 6.964 9.128 -2.060 1.00 0.00 C ATOM 1088 C ASP A 68 7.742 8.856 -3.344 1.00 0.00 C ATOM 1089 O ASP A 68 7.219 8.255 -4.281 1.00 0.00 O ATOM 1090 CB ASP A 68 6.496 10.584 -2.031 1.00 0.00 C ATOM 1091 CG ASP A 68 7.591 11.535 -1.589 1.00 0.00 C ATOM 1092 OD1 ASP A 68 8.520 11.783 -2.386 1.00 0.00 O ATOM 1093 OD2 ASP A 68 7.519 12.032 -0.445 1.00 0.00 O ATOM 0 H ASP A 68 7.780 9.570 -0.180 1.00 0.00 H new ATOM 0 HA ASP A 68 6.092 8.474 -2.039 1.00 0.00 H new ATOM 0 HB2 ASP A 68 6.148 10.871 -3.023 1.00 0.00 H new ATOM 0 HB3 ASP A 68 5.645 10.676 -1.356 1.00 0.00 H new ATOM 1098 N GLU A 69 8.993 9.304 -3.378 1.00 0.00 N ATOM 1099 CA GLU A 69 9.842 9.111 -4.548 1.00 0.00 C ATOM 1100 C GLU A 69 9.693 7.695 -5.099 1.00 0.00 C ATOM 1101 O GLU A 69 9.931 7.451 -6.282 1.00 0.00 O ATOM 1102 CB GLU A 69 11.306 9.381 -4.194 1.00 0.00 C ATOM 1103 CG GLU A 69 11.834 8.498 -3.076 1.00 0.00 C ATOM 1104 CD GLU A 69 13.349 8.439 -3.046 1.00 0.00 C ATOM 1105 OE1 GLU A 69 13.963 9.287 -2.365 1.00 0.00 O ATOM 1106 OE2 GLU A 69 13.920 7.544 -3.704 1.00 0.00 O ATOM 0 H GLU A 69 9.441 9.803 -2.609 1.00 0.00 H new ATOM 0 HA GLU A 69 9.526 9.817 -5.316 1.00 0.00 H new ATOM 0 HB2 GLU A 69 11.919 9.233 -5.083 1.00 0.00 H new ATOM 0 HB3 GLU A 69 11.414 10.426 -3.902 1.00 0.00 H new ATOM 0 HG2 GLU A 69 11.470 8.872 -2.119 1.00 0.00 H new ATOM 0 HG3 GLU A 69 11.437 7.490 -3.196 1.00 0.00 H new ATOM 1113 N ASP A 70 9.299 6.768 -4.234 1.00 0.00 N ATOM 1114 CA ASP A 70 9.118 5.377 -4.633 1.00 0.00 C ATOM 1115 C ASP A 70 7.853 5.213 -5.470 1.00 0.00 C ATOM 1116 O ASP A 70 6.851 5.890 -5.240 1.00 0.00 O ATOM 1117 CB ASP A 70 9.049 4.475 -3.399 1.00 0.00 C ATOM 1118 CG ASP A 70 10.347 4.465 -2.616 1.00 0.00 C ATOM 1119 OD1 ASP A 70 11.358 3.964 -3.151 1.00 0.00 O ATOM 1120 OD2 ASP A 70 10.351 4.957 -1.468 1.00 0.00 O ATOM 0 H ASP A 70 9.099 6.954 -3.251 1.00 0.00 H new ATOM 0 HA ASP A 70 9.975 5.084 -5.240 1.00 0.00 H new ATOM 0 HB2 ASP A 70 8.240 4.812 -2.751 1.00 0.00 H new ATOM 0 HB3 ASP A 70 8.807 3.458 -3.709 1.00 0.00 H new ATOM 1125 N VAL A 71 7.908 4.309 -6.444 1.00 0.00 N ATOM 1126 CA VAL A 71 6.767 4.055 -7.316 1.00 0.00 C ATOM 1127 C VAL A 71 6.450 2.566 -7.385 1.00 0.00 C ATOM 1128 O VAL A 71 7.318 1.723 -7.155 1.00 0.00 O ATOM 1129 CB VAL A 71 7.022 4.582 -8.740 1.00 0.00 C ATOM 1130 CG1 VAL A 71 5.716 4.681 -9.515 1.00 0.00 C ATOM 1131 CG2 VAL A 71 7.726 5.929 -8.692 1.00 0.00 C ATOM 0 H VAL A 71 8.730 3.741 -6.649 1.00 0.00 H new ATOM 0 HA VAL A 71 5.916 4.585 -6.888 1.00 0.00 H new ATOM 0 HB VAL A 71 7.672 3.877 -9.258 1.00 0.00 H new ATOM 0 HG11 VAL A 71 5.916 5.055 -10.519 1.00 0.00 H new ATOM 0 HG12 VAL A 71 5.256 3.695 -9.580 1.00 0.00 H new ATOM 0 HG13 VAL A 71 5.039 5.364 -9.002 1.00 0.00 H new ATOM 0 HG21 VAL A 71 7.898 6.286 -9.707 1.00 0.00 H new ATOM 0 HG22 VAL A 71 7.104 6.646 -8.156 1.00 0.00 H new ATOM 0 HG23 VAL A 71 8.681 5.822 -8.178 1.00 0.00 H new ATOM 1141 N LEU A 72 5.200 2.247 -7.705 1.00 0.00 N ATOM 1142 CA LEU A 72 4.767 0.858 -7.807 1.00 0.00 C ATOM 1143 C LEU A 72 5.476 0.149 -8.956 1.00 0.00 C ATOM 1144 O LEU A 72 5.375 -1.069 -9.102 1.00 0.00 O ATOM 1145 CB LEU A 72 3.252 0.789 -8.007 1.00 0.00 C ATOM 1146 CG LEU A 72 2.407 0.749 -6.733 1.00 0.00 C ATOM 1147 CD1 LEU A 72 0.926 0.800 -7.073 1.00 0.00 C ATOM 1148 CD2 LEU A 72 2.727 -0.498 -5.921 1.00 0.00 C ATOM 0 H LEU A 72 4.469 2.932 -7.898 1.00 0.00 H new ATOM 0 HA LEU A 72 5.028 0.353 -6.877 1.00 0.00 H new ATOM 0 HB2 LEU A 72 2.944 1.653 -8.596 1.00 0.00 H new ATOM 0 HB3 LEU A 72 3.024 -0.098 -8.598 1.00 0.00 H new ATOM 0 HG LEU A 72 2.650 1.624 -6.130 1.00 0.00 H new ATOM 0 HD11 LEU A 72 0.341 0.771 -6.154 1.00 0.00 H new ATOM 0 HD12 LEU A 72 0.708 1.722 -7.613 1.00 0.00 H new ATOM 0 HD13 LEU A 72 0.666 -0.056 -7.696 1.00 0.00 H new ATOM 0 HD21 LEU A 72 2.117 -0.511 -5.018 1.00 0.00 H new ATOM 0 HD22 LEU A 72 2.512 -1.385 -6.517 1.00 0.00 H new ATOM 0 HD23 LEU A 72 3.782 -0.493 -5.646 1.00 0.00 H new ATOM 1160 N GLN A 73 6.194 0.919 -9.767 1.00 0.00 N ATOM 1161 CA GLN A 73 6.921 0.363 -10.902 1.00 0.00 C ATOM 1162 C GLN A 73 8.428 0.477 -10.692 1.00 0.00 C ATOM 1163 O GLN A 73 9.205 -0.284 -11.268 1.00 0.00 O ATOM 1164 CB GLN A 73 6.519 1.078 -12.192 1.00 0.00 C ATOM 1165 CG GLN A 73 6.629 2.592 -12.108 1.00 0.00 C ATOM 1166 CD GLN A 73 6.688 3.249 -13.473 1.00 0.00 C ATOM 1167 OE1 GLN A 73 7.667 3.915 -13.813 1.00 0.00 O ATOM 1168 NE2 GLN A 73 5.637 3.066 -14.265 1.00 0.00 N ATOM 0 H GLN A 73 6.288 1.929 -9.659 1.00 0.00 H new ATOM 0 HA GLN A 73 6.663 -0.693 -10.985 1.00 0.00 H new ATOM 0 HB2 GLN A 73 7.149 0.721 -13.007 1.00 0.00 H new ATOM 0 HB3 GLN A 73 5.492 0.810 -12.441 1.00 0.00 H new ATOM 0 HG2 GLN A 73 5.775 2.985 -11.557 1.00 0.00 H new ATOM 0 HG3 GLN A 73 7.522 2.857 -11.542 1.00 0.00 H new ATOM 0 HE21 GLN A 73 4.847 2.507 -13.943 1.00 0.00 H new ATOM 0 HE22 GLN A 73 5.620 3.485 -15.195 1.00 0.00 H new ATOM 1177 N LYS A 74 8.834 1.433 -9.863 1.00 0.00 N ATOM 1178 CA LYS A 74 10.247 1.647 -9.575 1.00 0.00 C ATOM 1179 C LYS A 74 10.698 0.792 -8.396 1.00 0.00 C ATOM 1180 O LYS A 74 11.860 0.390 -8.315 1.00 0.00 O ATOM 1181 CB LYS A 74 10.509 3.125 -9.277 1.00 0.00 C ATOM 1182 CG LYS A 74 10.253 4.040 -10.462 1.00 0.00 C ATOM 1183 CD LYS A 74 11.148 5.267 -10.423 1.00 0.00 C ATOM 1184 CE LYS A 74 10.641 6.356 -11.357 1.00 0.00 C ATOM 1185 NZ LYS A 74 11.074 6.126 -12.763 1.00 0.00 N ATOM 0 H LYS A 74 8.204 2.072 -9.379 1.00 0.00 H new ATOM 0 HA LYS A 74 10.820 1.352 -10.454 1.00 0.00 H new ATOM 0 HB2 LYS A 74 9.877 3.437 -8.445 1.00 0.00 H new ATOM 0 HB3 LYS A 74 11.543 3.244 -8.954 1.00 0.00 H new ATOM 0 HG2 LYS A 74 10.425 3.493 -11.389 1.00 0.00 H new ATOM 0 HG3 LYS A 74 9.208 4.351 -10.464 1.00 0.00 H new ATOM 0 HD2 LYS A 74 11.195 5.652 -9.404 1.00 0.00 H new ATOM 0 HD3 LYS A 74 12.163 4.988 -10.705 1.00 0.00 H new ATOM 0 HE2 LYS A 74 9.553 6.394 -11.314 1.00 0.00 H new ATOM 0 HE3 LYS A 74 11.007 7.325 -11.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 10.709 6.889 -13.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 12.113 6.115 -12.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 10.703 5.213 -13.096 1.00 0.00 H new ATOM 1199 N LEU A 75 9.772 0.514 -7.484 1.00 0.00 N ATOM 1200 CA LEU A 75 10.075 -0.296 -6.309 1.00 0.00 C ATOM 1201 C LEU A 75 10.597 -1.670 -6.715 1.00 0.00 C ATOM 1202 O LEU A 75 10.317 -2.171 -7.805 1.00 0.00 O ATOM 1203 CB LEU A 75 8.828 -0.448 -5.436 1.00 0.00 C ATOM 1204 CG LEU A 75 7.921 -1.636 -5.763 1.00 0.00 C ATOM 1205 CD1 LEU A 75 6.604 -1.523 -5.012 1.00 0.00 C ATOM 1206 CD2 LEU A 75 7.677 -1.724 -7.262 1.00 0.00 C ATOM 0 H LEU A 75 8.806 0.837 -7.536 1.00 0.00 H new ATOM 0 HA LEU A 75 10.852 0.212 -5.737 1.00 0.00 H new ATOM 0 HB2 LEU A 75 9.145 -0.533 -4.397 1.00 0.00 H new ATOM 0 HB3 LEU A 75 8.239 0.466 -5.516 1.00 0.00 H new ATOM 0 HG LEU A 75 8.421 -2.550 -5.443 1.00 0.00 H new ATOM 0 HD11 LEU A 75 5.971 -2.376 -5.257 1.00 0.00 H new ATOM 0 HD12 LEU A 75 6.797 -1.510 -3.939 1.00 0.00 H new ATOM 0 HD13 LEU A 75 6.098 -0.602 -5.301 1.00 0.00 H new ATOM 0 HD21 LEU A 75 7.030 -2.575 -7.476 1.00 0.00 H new ATOM 0 HD22 LEU A 75 7.198 -0.808 -7.607 1.00 0.00 H new ATOM 0 HD23 LEU A 75 8.628 -1.853 -7.779 1.00 0.00 H new ATOM 1218 N PRO A 76 11.372 -2.298 -5.818 1.00 0.00 N ATOM 1219 CA PRO A 76 11.947 -3.624 -6.059 1.00 0.00 C ATOM 1220 C PRO A 76 10.889 -4.723 -6.060 1.00 0.00 C ATOM 1221 O PRO A 76 11.188 -5.886 -5.790 1.00 0.00 O ATOM 1222 CB PRO A 76 12.911 -3.812 -4.885 1.00 0.00 C ATOM 1223 CG PRO A 76 12.367 -2.941 -3.805 1.00 0.00 C ATOM 1224 CD PRO A 76 11.746 -1.761 -4.499 1.00 0.00 C ATOM 0 HA PRO A 76 12.426 -3.689 -7.036 1.00 0.00 H new ATOM 0 HB2 PRO A 76 12.952 -4.855 -4.570 1.00 0.00 H new ATOM 0 HB3 PRO A 76 13.926 -3.520 -5.155 1.00 0.00 H new ATOM 0 HG2 PRO A 76 11.629 -3.475 -3.207 1.00 0.00 H new ATOM 0 HG3 PRO A 76 13.157 -2.623 -3.125 1.00 0.00 H new ATOM 0 HD2 PRO A 76 10.878 -1.387 -3.957 1.00 0.00 H new ATOM 0 HD3 PRO A 76 12.448 -0.932 -4.587 1.00 0.00 H new ATOM 1232 N VAL A 77 9.651 -4.347 -6.366 1.00 0.00 N ATOM 1233 CA VAL A 77 8.550 -5.301 -6.403 1.00 0.00 C ATOM 1234 C VAL A 77 7.915 -5.353 -7.789 1.00 0.00 C ATOM 1235 O VAL A 77 8.216 -4.531 -8.653 1.00 0.00 O ATOM 1236 CB VAL A 77 7.465 -4.947 -5.368 1.00 0.00 C ATOM 1237 CG1 VAL A 77 6.521 -6.122 -5.161 1.00 0.00 C ATOM 1238 CG2 VAL A 77 8.103 -4.527 -4.052 1.00 0.00 C ATOM 0 H VAL A 77 9.386 -3.388 -6.592 1.00 0.00 H new ATOM 0 HA VAL A 77 8.969 -6.277 -6.160 1.00 0.00 H new ATOM 0 HB VAL A 77 6.883 -4.107 -5.749 1.00 0.00 H new ATOM 0 HG11 VAL A 77 5.761 -5.854 -4.427 1.00 0.00 H new ATOM 0 HG12 VAL A 77 6.039 -6.373 -6.106 1.00 0.00 H new ATOM 0 HG13 VAL A 77 7.085 -6.983 -4.802 1.00 0.00 H new ATOM 0 HG21 VAL A 77 7.323 -4.280 -3.332 1.00 0.00 H new ATOM 0 HG22 VAL A 77 8.709 -5.346 -3.664 1.00 0.00 H new ATOM 0 HG23 VAL A 77 8.735 -3.654 -4.216 1.00 0.00 H new ATOM 1248 N GLY A 78 7.034 -6.328 -7.994 1.00 0.00 N ATOM 1249 CA GLY A 78 6.371 -6.470 -9.277 1.00 0.00 C ATOM 1250 C GLY A 78 4.893 -6.140 -9.205 1.00 0.00 C ATOM 1251 O GLY A 78 4.435 -5.508 -8.252 1.00 0.00 O ATOM 0 H GLY A 78 6.768 -7.021 -7.295 1.00 0.00 H new ATOM 0 HA2 GLY A 78 6.851 -5.816 -10.005 1.00 0.00 H new ATOM 0 HA3 GLY A 78 6.495 -7.492 -9.636 1.00 0.00 H new ATOM 1255 N THR A 79 4.143 -6.568 -10.215 1.00 0.00 N ATOM 1256 CA THR A 79 2.709 -6.312 -10.265 1.00 0.00 C ATOM 1257 C THR A 79 2.072 -6.483 -8.890 1.00 0.00 C ATOM 1258 O THR A 79 1.189 -5.717 -8.503 1.00 0.00 O ATOM 1259 CB THR A 79 2.005 -7.250 -11.264 1.00 0.00 C ATOM 1260 OG1 THR A 79 2.402 -8.605 -11.027 1.00 0.00 O ATOM 1261 CG2 THR A 79 2.336 -6.861 -12.696 1.00 0.00 C ATOM 0 H THR A 79 4.505 -7.094 -11.010 1.00 0.00 H new ATOM 0 HA THR A 79 2.583 -5.281 -10.596 1.00 0.00 H new ATOM 0 HB THR A 79 0.929 -7.158 -11.119 1.00 0.00 H new ATOM 0 HG1 THR A 79 1.949 -9.195 -11.665 1.00 0.00 H new ATOM 0 HG21 THR A 79 1.828 -7.537 -13.383 1.00 0.00 H new ATOM 0 HG22 THR A 79 2.005 -5.839 -12.881 1.00 0.00 H new ATOM 0 HG23 THR A 79 3.413 -6.927 -12.851 1.00 0.00 H new ATOM 1269 N THR A 80 2.527 -7.492 -8.153 1.00 0.00 N ATOM 1270 CA THR A 80 2.002 -7.763 -6.821 1.00 0.00 C ATOM 1271 C THR A 80 2.870 -7.119 -5.746 1.00 0.00 C ATOM 1272 O THR A 80 3.836 -7.717 -5.274 1.00 0.00 O ATOM 1273 CB THR A 80 1.910 -9.277 -6.551 1.00 0.00 C ATOM 1274 OG1 THR A 80 1.156 -9.914 -7.589 1.00 0.00 O ATOM 1275 CG2 THR A 80 1.258 -9.548 -5.204 1.00 0.00 C ATOM 0 H THR A 80 3.258 -8.135 -8.457 1.00 0.00 H new ATOM 0 HA THR A 80 1.001 -7.333 -6.782 1.00 0.00 H new ATOM 0 HB THR A 80 2.921 -9.683 -6.535 1.00 0.00 H new ATOM 0 HG1 THR A 80 0.270 -9.500 -7.651 1.00 0.00 H new ATOM 0 HG21 THR A 80 1.204 -10.624 -5.036 1.00 0.00 H new ATOM 0 HG22 THR A 80 1.850 -9.086 -4.414 1.00 0.00 H new ATOM 0 HG23 THR A 80 0.252 -9.129 -5.196 1.00 0.00 H new ATOM 1283 N ALA A 81 2.519 -5.896 -5.363 1.00 0.00 N ATOM 1284 CA ALA A 81 3.265 -5.171 -4.342 1.00 0.00 C ATOM 1285 C ALA A 81 2.653 -5.385 -2.961 1.00 0.00 C ATOM 1286 O ALA A 81 1.440 -5.552 -2.826 1.00 0.00 O ATOM 1287 CB ALA A 81 3.314 -3.688 -4.676 1.00 0.00 C ATOM 0 H ALA A 81 1.722 -5.386 -5.745 1.00 0.00 H new ATOM 0 HA ALA A 81 4.283 -5.561 -4.325 1.00 0.00 H new ATOM 0 HB1 ALA A 81 3.874 -3.160 -3.905 1.00 0.00 H new ATOM 0 HB2 ALA A 81 3.803 -3.548 -5.640 1.00 0.00 H new ATOM 0 HB3 ALA A 81 2.300 -3.292 -4.723 1.00 0.00 H new ATOM 1293 N THR A 82 3.500 -5.378 -1.936 1.00 0.00 N ATOM 1294 CA THR A 82 3.043 -5.572 -0.566 1.00 0.00 C ATOM 1295 C THR A 82 3.573 -4.476 0.351 1.00 0.00 C ATOM 1296 O THR A 82 4.775 -4.207 0.384 1.00 0.00 O ATOM 1297 CB THR A 82 3.482 -6.942 -0.016 1.00 0.00 C ATOM 1298 OG1 THR A 82 3.156 -7.974 -0.955 1.00 0.00 O ATOM 1299 CG2 THR A 82 2.808 -7.232 1.316 1.00 0.00 C ATOM 0 H THR A 82 4.506 -5.240 -2.029 1.00 0.00 H new ATOM 0 HA THR A 82 1.954 -5.529 -0.587 1.00 0.00 H new ATOM 0 HB THR A 82 4.561 -6.918 0.138 1.00 0.00 H new ATOM 0 HG1 THR A 82 3.440 -8.842 -0.599 1.00 0.00 H new ATOM 0 HG21 THR A 82 3.134 -8.205 1.684 1.00 0.00 H new ATOM 0 HG22 THR A 82 3.080 -6.461 2.037 1.00 0.00 H new ATOM 0 HG23 THR A 82 1.726 -7.238 1.183 1.00 0.00 H new ATOM 1307 N LEU A 83 2.671 -3.846 1.096 1.00 0.00 N ATOM 1308 CA LEU A 83 3.049 -2.778 2.015 1.00 0.00 C ATOM 1309 C LEU A 83 2.642 -3.122 3.445 1.00 0.00 C ATOM 1310 O LEU A 83 1.543 -3.622 3.685 1.00 0.00 O ATOM 1311 CB LEU A 83 2.401 -1.460 1.591 1.00 0.00 C ATOM 1312 CG LEU A 83 2.583 -1.063 0.126 1.00 0.00 C ATOM 1313 CD1 LEU A 83 1.659 0.090 -0.234 1.00 0.00 C ATOM 1314 CD2 LEU A 83 4.033 -0.693 -0.151 1.00 0.00 C ATOM 0 H LEU A 83 1.673 -4.056 1.082 1.00 0.00 H new ATOM 0 HA LEU A 83 4.133 -2.669 1.981 1.00 0.00 H new ATOM 0 HB2 LEU A 83 1.333 -1.520 1.800 1.00 0.00 H new ATOM 0 HB3 LEU A 83 2.804 -0.663 2.215 1.00 0.00 H new ATOM 0 HG LEU A 83 2.322 -1.919 -0.497 1.00 0.00 H new ATOM 0 HD11 LEU A 83 1.803 0.358 -1.281 1.00 0.00 H new ATOM 0 HD12 LEU A 83 0.623 -0.211 -0.076 1.00 0.00 H new ATOM 0 HD13 LEU A 83 1.888 0.950 0.396 1.00 0.00 H new ATOM 0 HD21 LEU A 83 4.143 -0.413 -1.199 1.00 0.00 H new ATOM 0 HD22 LEU A 83 4.321 0.147 0.481 1.00 0.00 H new ATOM 0 HD23 LEU A 83 4.674 -1.547 0.066 1.00 0.00 H new ATOM 1326 N TYR A 84 3.534 -2.848 4.390 1.00 0.00 N ATOM 1327 CA TYR A 84 3.269 -3.128 5.796 1.00 0.00 C ATOM 1328 C TYR A 84 2.860 -1.859 6.537 1.00 0.00 C ATOM 1329 O TYR A 84 3.429 -0.789 6.320 1.00 0.00 O ATOM 1330 CB TYR A 84 4.503 -3.743 6.458 1.00 0.00 C ATOM 1331 CG TYR A 84 4.781 -5.164 6.020 1.00 0.00 C ATOM 1332 CD1 TYR A 84 4.176 -6.239 6.659 1.00 0.00 C ATOM 1333 CD2 TYR A 84 5.647 -5.430 4.967 1.00 0.00 C ATOM 1334 CE1 TYR A 84 4.427 -7.538 6.264 1.00 0.00 C ATOM 1335 CE2 TYR A 84 5.903 -6.726 4.563 1.00 0.00 C ATOM 1336 CZ TYR A 84 5.291 -7.777 5.215 1.00 0.00 C ATOM 1337 OH TYR A 84 5.543 -9.070 4.817 1.00 0.00 O ATOM 0 H TYR A 84 4.447 -2.432 4.208 1.00 0.00 H new ATOM 0 HA TYR A 84 2.445 -3.839 5.848 1.00 0.00 H new ATOM 0 HB2 TYR A 84 5.372 -3.125 6.232 1.00 0.00 H new ATOM 0 HB3 TYR A 84 4.372 -3.724 7.540 1.00 0.00 H new ATOM 0 HD1 TYR A 84 3.498 -6.055 7.479 1.00 0.00 H new ATOM 0 HD2 TYR A 84 6.128 -4.610 4.455 1.00 0.00 H new ATOM 0 HE1 TYR A 84 3.950 -8.362 6.773 1.00 0.00 H new ATOM 0 HE2 TYR A 84 6.578 -6.916 3.742 1.00 0.00 H new ATOM 0 HH TYR A 84 6.172 -9.064 4.065 1.00 0.00 H new ATOM 1347 N PHE A 85 1.869 -1.986 7.413 1.00 0.00 N ATOM 1348 CA PHE A 85 1.382 -0.850 8.187 1.00 0.00 C ATOM 1349 C PHE A 85 2.053 -0.797 9.556 1.00 0.00 C ATOM 1350 O PHE A 85 2.259 -1.826 10.199 1.00 0.00 O ATOM 1351 CB PHE A 85 -0.137 -0.932 8.353 1.00 0.00 C ATOM 1352 CG PHE A 85 -0.663 -0.086 9.477 1.00 0.00 C ATOM 1353 CD1 PHE A 85 -0.397 -0.420 10.796 1.00 0.00 C ATOM 1354 CD2 PHE A 85 -1.423 1.042 9.216 1.00 0.00 C ATOM 1355 CE1 PHE A 85 -0.881 0.356 11.832 1.00 0.00 C ATOM 1356 CE2 PHE A 85 -1.910 1.822 10.248 1.00 0.00 C ATOM 1357 CZ PHE A 85 -1.637 1.479 11.558 1.00 0.00 C ATOM 0 H PHE A 85 1.387 -2.864 7.605 1.00 0.00 H new ATOM 0 HA PHE A 85 1.632 0.062 7.644 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -0.613 -0.623 7.423 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -0.420 -1.970 8.527 1.00 0.00 H new ATOM 0 HD1 PHE A 85 0.195 -1.296 11.016 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -1.638 1.316 8.194 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -0.668 0.084 12.855 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -2.503 2.698 10.031 1.00 0.00 H new ATOM 0 HZ PHE A 85 -2.014 2.088 12.366 1.00 0.00 H new ATOM 1367 N ARG A 86 2.392 0.411 9.996 1.00 0.00 N ATOM 1368 CA ARG A 86 3.042 0.599 11.287 1.00 0.00 C ATOM 1369 C ARG A 86 2.345 1.692 12.092 1.00 0.00 C ATOM 1370 O ARG A 86 2.095 2.786 11.586 1.00 0.00 O ATOM 1371 CB ARG A 86 4.517 0.956 11.093 1.00 0.00 C ATOM 1372 CG ARG A 86 5.187 1.483 12.352 1.00 0.00 C ATOM 1373 CD ARG A 86 5.426 0.372 13.363 1.00 0.00 C ATOM 1374 NE ARG A 86 6.530 0.682 14.266 1.00 0.00 N ATOM 1375 CZ ARG A 86 7.198 -0.238 14.953 1.00 0.00 C ATOM 1376 NH1 ARG A 86 6.876 -1.519 14.840 1.00 0.00 N ATOM 1377 NH2 ARG A 86 8.192 0.123 15.755 1.00 0.00 N ATOM 0 H ARG A 86 2.227 1.274 9.477 1.00 0.00 H new ATOM 0 HA ARG A 86 2.972 -0.337 11.840 1.00 0.00 H new ATOM 0 HB2 ARG A 86 5.054 0.072 10.749 1.00 0.00 H new ATOM 0 HB3 ARG A 86 4.600 1.706 10.306 1.00 0.00 H new ATOM 0 HG2 ARG A 86 6.137 1.950 12.092 1.00 0.00 H new ATOM 0 HG3 ARG A 86 4.564 2.257 12.801 1.00 0.00 H new ATOM 0 HD2 ARG A 86 4.518 0.209 13.943 1.00 0.00 H new ATOM 0 HD3 ARG A 86 5.639 -0.558 12.836 1.00 0.00 H new ATOM 0 HE ARG A 86 6.804 1.659 14.376 1.00 0.00 H new ATOM 0 HH11 ARG A 86 6.113 -1.801 14.224 1.00 0.00 H new ATOM 0 HH12 ARG A 86 7.391 -2.223 15.369 1.00 0.00 H new ATOM 0 HH21 ARG A 86 8.443 1.107 15.844 1.00 0.00 H new ATOM 0 HH22 ARG A 86 8.704 -0.584 16.282 1.00 0.00 H new