USER MOD reduce.3.24.130724 H: found=0, std=0, add=611, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 612 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 Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot -8:sc= 1.3 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= -0.993 K(o=-0.99,f=-4.8!) USER MOD Single : A 28 TYR OH : rot 33:sc= 1.02 USER MOD Single : A 31 THR OG1 : rot 65:sc= 1.28 USER MOD Single : A 33 GLN : amide:sc= 0.348 K(o=0.35,f=-1.6) USER MOD Single : A 34 SER OG : rot -90:sc= 0.866 USER MOD Single : A 35 GLN : amide:sc= -0.147 K(o=-0.15,f=-0.66) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= 1.4 K(o=1.4,f=-6.5!) USER MOD Single : A 42 LYS NZ :NH3+ -156:sc= 1.3 (180deg=1.15) USER MOD Single : A 45 SER OG : rot -160:sc= -0.0184 USER MOD Single : A 48 GLN :FLIP amide:sc= -3.03! C(o=-3.9!,f=-3!) USER MOD Single : A 53 THR OG1 : rot 78:sc= 1.52 USER MOD Single : A 58 TYR OH : rot 60:sc= -1.09 USER MOD Single : A 60 GLN : amide:sc= 0 K(o=0,f=-0.88) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 79:sc= -0.439! USER MOD Single : A 68 GLN :FLIP amide:sc= -0.0287 F(o=-2.2!,f=-0.029) USER MOD Single : A 71 SER OG : rot 71:sc= 1.09 USER MOD ----------------------------------------------------------------- ATOM 77 N LYS A 6 -7.077 -10.177 -0.533 1.00 0.00 N ATOM 78 CA LYS A 6 -5.647 -10.171 -0.577 1.00 0.00 C ATOM 79 C LYS A 6 -5.199 -8.904 -1.245 1.00 0.00 C ATOM 80 O LYS A 6 -5.312 -8.748 -2.464 1.00 0.00 O ATOM 81 CB LYS A 6 -5.124 -11.392 -1.338 1.00 0.00 C ATOM 82 CG LYS A 6 -5.604 -12.710 -0.760 1.00 0.00 C ATOM 83 CD LYS A 6 -5.009 -13.895 -1.490 1.00 0.00 C ATOM 84 CE LYS A 6 -5.537 -15.188 -0.910 1.00 0.00 C ATOM 85 NZ LYS A 6 -4.876 -16.372 -1.491 1.00 0.00 N ATOM 0 HA LYS A 6 -5.248 -10.218 0.436 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -5.438 -11.324 -2.380 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -4.034 -11.376 -1.332 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -5.337 -12.762 0.296 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -6.692 -12.757 -0.817 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -5.254 -13.838 -2.551 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -3.922 -13.871 -1.412 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -5.390 -15.186 0.170 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -6.611 -15.251 -1.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -5.270 -17.234 -1.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -5.037 -16.390 -2.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -3.854 -16.327 -1.301 1.00 0.00 H new ATOM 99 N LEU A 7 -4.736 -7.987 -0.461 1.00 0.00 N ATOM 100 CA LEU A 7 -4.352 -6.713 -0.973 1.00 0.00 C ATOM 101 C LEU A 7 -2.951 -6.782 -1.522 1.00 0.00 C ATOM 102 O LEU A 7 -1.982 -6.760 -0.776 1.00 0.00 O ATOM 103 CB LEU A 7 -4.471 -5.661 0.116 1.00 0.00 C ATOM 104 CG LEU A 7 -5.841 -5.562 0.790 1.00 0.00 C ATOM 105 CD1 LEU A 7 -5.808 -4.528 1.874 1.00 0.00 C ATOM 106 CD2 LEU A 7 -6.933 -5.239 -0.220 1.00 0.00 C ATOM 0 H LEU A 7 -4.614 -8.098 0.546 1.00 0.00 H new ATOM 0 HA LEU A 7 -5.019 -6.431 -1.788 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -3.723 -5.869 0.881 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -4.226 -4.690 -0.313 1.00 0.00 H new ATOM 0 HG LEU A 7 -6.073 -6.532 1.231 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -6.788 -4.466 2.347 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -5.062 -4.806 2.619 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -5.550 -3.560 1.445 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -7.894 -5.176 0.291 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -6.714 -4.285 -0.700 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -6.974 -6.024 -0.975 1.00 0.00 H new ATOM 118 N VAL A 8 -2.854 -6.952 -2.813 1.00 0.00 N ATOM 119 CA VAL A 8 -1.577 -7.028 -3.469 1.00 0.00 C ATOM 120 C VAL A 8 -1.135 -5.667 -3.995 1.00 0.00 C ATOM 121 O VAL A 8 -1.757 -5.088 -4.910 1.00 0.00 O ATOM 122 CB VAL A 8 -1.549 -8.102 -4.612 1.00 0.00 C ATOM 123 CG1 VAL A 8 -1.654 -9.499 -4.031 1.00 0.00 C ATOM 124 CG2 VAL A 8 -2.677 -7.885 -5.624 1.00 0.00 C ATOM 0 H VAL A 8 -3.655 -7.041 -3.438 1.00 0.00 H new ATOM 0 HA VAL A 8 -0.863 -7.349 -2.710 1.00 0.00 H new ATOM 0 HB VAL A 8 -0.598 -7.993 -5.132 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -1.633 -10.231 -4.838 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -0.816 -9.677 -3.358 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -2.589 -9.594 -3.479 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -2.622 -8.649 -6.399 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -3.639 -7.951 -5.116 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -2.574 -6.900 -6.078 1.00 0.00 H new ATOM 134 N LEU A 9 -0.098 -5.141 -3.411 1.00 0.00 N ATOM 135 CA LEU A 9 0.455 -3.910 -3.872 1.00 0.00 C ATOM 136 C LEU A 9 1.697 -4.193 -4.700 1.00 0.00 C ATOM 137 O LEU A 9 2.541 -5.011 -4.324 1.00 0.00 O ATOM 138 CB LEU A 9 0.645 -2.861 -2.723 1.00 0.00 C ATOM 139 CG LEU A 9 1.493 -3.223 -1.480 1.00 0.00 C ATOM 140 CD1 LEU A 9 2.979 -3.230 -1.786 1.00 0.00 C ATOM 141 CD2 LEU A 9 1.199 -2.253 -0.346 1.00 0.00 C ATOM 0 H LEU A 9 0.381 -5.552 -2.610 1.00 0.00 H new ATOM 0 HA LEU A 9 -0.258 -3.418 -4.534 1.00 0.00 H new ATOM 0 HB2 LEU A 9 1.085 -1.969 -3.168 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -0.348 -2.584 -2.369 1.00 0.00 H new ATOM 0 HG LEU A 9 1.216 -4.233 -1.178 1.00 0.00 H new ATOM 0 HD11 LEU A 9 3.535 -3.489 -0.885 1.00 0.00 H new ATOM 0 HD12 LEU A 9 3.187 -3.964 -2.564 1.00 0.00 H new ATOM 0 HD13 LEU A 9 3.284 -2.242 -2.129 1.00 0.00 H new ATOM 0 HD21 LEU A 9 1.801 -2.517 0.524 1.00 0.00 H new ATOM 0 HD22 LEU A 9 1.443 -1.239 -0.662 1.00 0.00 H new ATOM 0 HD23 LEU A 9 0.142 -2.307 -0.086 1.00 0.00 H new ATOM 153 N ASP A 10 1.752 -3.593 -5.845 1.00 0.00 N ATOM 154 CA ASP A 10 2.819 -3.821 -6.802 1.00 0.00 C ATOM 155 C ASP A 10 4.066 -3.073 -6.378 1.00 0.00 C ATOM 156 O ASP A 10 4.066 -1.847 -6.304 1.00 0.00 O ATOM 157 CB ASP A 10 2.368 -3.354 -8.177 1.00 0.00 C ATOM 158 CG ASP A 10 3.274 -3.805 -9.284 1.00 0.00 C ATOM 159 OD1 ASP A 10 4.366 -3.259 -9.445 1.00 0.00 O ATOM 160 OD2 ASP A 10 2.864 -4.698 -10.054 1.00 0.00 O ATOM 0 H ASP A 10 1.054 -2.919 -6.159 1.00 0.00 H new ATOM 0 HA ASP A 10 3.051 -4.885 -6.841 1.00 0.00 H new ATOM 0 HB2 ASP A 10 1.361 -3.726 -8.367 1.00 0.00 H new ATOM 0 HB3 ASP A 10 2.312 -2.265 -8.183 1.00 0.00 H new ATOM 165 N LEU A 11 5.123 -3.803 -6.125 1.00 0.00 N ATOM 166 CA LEU A 11 6.355 -3.228 -5.613 1.00 0.00 C ATOM 167 C LEU A 11 7.172 -2.547 -6.701 1.00 0.00 C ATOM 168 O LEU A 11 8.054 -1.734 -6.408 1.00 0.00 O ATOM 169 CB LEU A 11 7.175 -4.293 -4.885 1.00 0.00 C ATOM 170 CG LEU A 11 6.537 -4.857 -3.608 1.00 0.00 C ATOM 171 CD1 LEU A 11 7.333 -6.024 -3.091 1.00 0.00 C ATOM 172 CD2 LEU A 11 6.452 -3.780 -2.537 1.00 0.00 C ATOM 0 H LEU A 11 5.160 -4.813 -6.266 1.00 0.00 H new ATOM 0 HA LEU A 11 6.083 -2.450 -4.900 1.00 0.00 H new ATOM 0 HB2 LEU A 11 7.360 -5.118 -5.573 1.00 0.00 H new ATOM 0 HB3 LEU A 11 8.145 -3.868 -4.629 1.00 0.00 H new ATOM 0 HG LEU A 11 5.530 -5.196 -3.852 1.00 0.00 H new ATOM 0 HD11 LEU A 11 6.866 -6.411 -2.185 1.00 0.00 H new ATOM 0 HD12 LEU A 11 7.362 -6.808 -3.847 1.00 0.00 H new ATOM 0 HD13 LEU A 11 8.349 -5.700 -2.865 1.00 0.00 H new ATOM 0 HD21 LEU A 11 5.997 -4.196 -1.638 1.00 0.00 H new ATOM 0 HD22 LEU A 11 7.454 -3.419 -2.303 1.00 0.00 H new ATOM 0 HD23 LEU A 11 5.844 -2.952 -2.901 1.00 0.00 H new ATOM 184 N GLU A 12 6.862 -2.844 -7.945 1.00 0.00 N ATOM 185 CA GLU A 12 7.569 -2.243 -9.052 1.00 0.00 C ATOM 186 C GLU A 12 6.933 -0.892 -9.350 1.00 0.00 C ATOM 187 O GLU A 12 7.620 0.111 -9.543 1.00 0.00 O ATOM 188 CB GLU A 12 7.548 -3.162 -10.274 1.00 0.00 C ATOM 189 CG GLU A 12 8.084 -4.558 -9.990 1.00 0.00 C ATOM 190 CD GLU A 12 8.196 -5.409 -11.224 1.00 0.00 C ATOM 191 OE1 GLU A 12 7.165 -5.863 -11.761 1.00 0.00 O ATOM 192 OE2 GLU A 12 9.328 -5.642 -11.697 1.00 0.00 O ATOM 0 H GLU A 12 6.126 -3.497 -8.213 1.00 0.00 H new ATOM 0 HA GLU A 12 8.617 -2.095 -8.792 1.00 0.00 H new ATOM 0 HB2 GLU A 12 6.525 -3.242 -10.642 1.00 0.00 H new ATOM 0 HB3 GLU A 12 8.139 -2.709 -11.070 1.00 0.00 H new ATOM 0 HG2 GLU A 12 9.065 -4.476 -9.522 1.00 0.00 H new ATOM 0 HG3 GLU A 12 7.429 -5.053 -9.273 1.00 0.00 H new ATOM 199 N ARG A 13 5.611 -0.861 -9.318 1.00 0.00 N ATOM 200 CA ARG A 13 4.875 0.381 -9.463 1.00 0.00 C ATOM 201 C ARG A 13 5.089 1.276 -8.269 1.00 0.00 C ATOM 202 O ARG A 13 5.130 2.495 -8.398 1.00 0.00 O ATOM 203 CB ARG A 13 3.387 0.154 -9.691 1.00 0.00 C ATOM 204 CG ARG A 13 2.953 0.337 -11.127 1.00 0.00 C ATOM 205 CD ARG A 13 3.220 1.764 -11.584 1.00 0.00 C ATOM 206 NE ARG A 13 2.851 1.980 -12.974 1.00 0.00 N ATOM 207 CZ ARG A 13 3.406 2.895 -13.771 1.00 0.00 C ATOM 208 NH1 ARG A 13 4.459 3.618 -13.352 1.00 0.00 N ATOM 209 NH2 ARG A 13 2.920 3.069 -14.996 1.00 0.00 N ATOM 0 H ARG A 13 5.025 -1.686 -9.192 1.00 0.00 H new ATOM 0 HA ARG A 13 5.268 0.874 -10.352 1.00 0.00 H new ATOM 0 HB2 ARG A 13 3.130 -0.855 -9.370 1.00 0.00 H new ATOM 0 HB3 ARG A 13 2.824 0.842 -9.061 1.00 0.00 H new ATOM 0 HG2 ARG A 13 3.489 -0.363 -11.768 1.00 0.00 H new ATOM 0 HG3 ARG A 13 1.891 0.110 -11.225 1.00 0.00 H new ATOM 0 HD2 ARG A 13 2.663 2.455 -10.952 1.00 0.00 H new ATOM 0 HD3 ARG A 13 4.277 1.993 -11.452 1.00 0.00 H new ATOM 0 HE ARG A 13 2.117 1.391 -13.367 1.00 0.00 H new ATOM 0 HH11 ARG A 13 4.840 3.469 -12.418 1.00 0.00 H new ATOM 0 HH12 ARG A 13 4.877 4.315 -13.968 1.00 0.00 H new ATOM 0 HH21 ARG A 13 2.132 2.506 -15.317 1.00 0.00 H new ATOM 0 HH22 ARG A 13 3.335 3.765 -15.615 1.00 0.00 H new ATOM 223 N LEU A 14 5.245 0.671 -7.109 1.00 0.00 N ATOM 224 CA LEU A 14 5.517 1.415 -5.898 1.00 0.00 C ATOM 225 C LEU A 14 6.871 2.110 -6.010 1.00 0.00 C ATOM 226 O LEU A 14 7.081 3.187 -5.457 1.00 0.00 O ATOM 227 CB LEU A 14 5.474 0.487 -4.677 1.00 0.00 C ATOM 228 CG LEU A 14 5.702 1.139 -3.313 1.00 0.00 C ATOM 229 CD1 LEU A 14 4.695 2.247 -3.079 1.00 0.00 C ATOM 230 CD2 LEU A 14 5.608 0.099 -2.209 1.00 0.00 C ATOM 0 H LEU A 14 5.188 -0.339 -6.980 1.00 0.00 H new ATOM 0 HA LEU A 14 4.747 2.176 -5.767 1.00 0.00 H new ATOM 0 HB2 LEU A 14 4.503 -0.008 -4.660 1.00 0.00 H new ATOM 0 HB3 LEU A 14 6.226 -0.290 -4.813 1.00 0.00 H new ATOM 0 HG LEU A 14 6.702 1.573 -3.300 1.00 0.00 H new ATOM 0 HD11 LEU A 14 4.872 2.700 -2.103 1.00 0.00 H new ATOM 0 HD12 LEU A 14 4.801 3.005 -3.855 1.00 0.00 H new ATOM 0 HD13 LEU A 14 3.687 1.835 -3.110 1.00 0.00 H new ATOM 0 HD21 LEU A 14 5.772 0.577 -1.244 1.00 0.00 H new ATOM 0 HD22 LEU A 14 4.619 -0.359 -2.223 1.00 0.00 H new ATOM 0 HD23 LEU A 14 6.365 -0.669 -2.367 1.00 0.00 H new ATOM 242 N ALA A 15 7.768 1.510 -6.776 1.00 0.00 N ATOM 243 CA ALA A 15 9.088 2.059 -6.991 1.00 0.00 C ATOM 244 C ALA A 15 9.043 3.291 -7.902 1.00 0.00 C ATOM 245 O ALA A 15 9.938 4.129 -7.857 1.00 0.00 O ATOM 246 CB ALA A 15 10.024 1.005 -7.558 1.00 0.00 C ATOM 0 H ALA A 15 7.597 0.630 -7.263 1.00 0.00 H new ATOM 0 HA ALA A 15 9.474 2.378 -6.023 1.00 0.00 H new ATOM 0 HB1 ALA A 15 11.011 1.440 -7.712 1.00 0.00 H new ATOM 0 HB2 ALA A 15 10.099 0.172 -6.859 1.00 0.00 H new ATOM 0 HB3 ALA A 15 9.633 0.646 -8.510 1.00 0.00 H new ATOM 252 N THR A 16 8.001 3.414 -8.718 1.00 0.00 N ATOM 253 CA THR A 16 7.884 4.568 -9.591 1.00 0.00 C ATOM 254 C THR A 16 7.185 5.743 -8.895 1.00 0.00 C ATOM 255 O THR A 16 7.191 6.871 -9.394 1.00 0.00 O ATOM 256 CB THR A 16 7.209 4.229 -10.961 1.00 0.00 C ATOM 257 OG1 THR A 16 5.918 3.598 -10.787 1.00 0.00 O ATOM 258 CG2 THR A 16 8.104 3.314 -11.784 1.00 0.00 C ATOM 0 H THR A 16 7.239 2.739 -8.791 1.00 0.00 H new ATOM 0 HA THR A 16 8.904 4.879 -9.818 1.00 0.00 H new ATOM 0 HB THR A 16 7.062 5.174 -11.485 1.00 0.00 H new ATOM 0 HG1 THR A 16 5.783 3.385 -9.840 1.00 0.00 H new ATOM 0 HG21 THR A 16 7.619 3.088 -12.734 1.00 0.00 H new ATOM 0 HG22 THR A 16 9.056 3.810 -11.972 1.00 0.00 H new ATOM 0 HG23 THR A 16 8.279 2.388 -11.237 1.00 0.00 H new ATOM 266 N VAL A 17 6.618 5.479 -7.730 1.00 0.00 N ATOM 267 CA VAL A 17 5.932 6.504 -6.958 1.00 0.00 C ATOM 268 C VAL A 17 6.970 7.318 -6.166 1.00 0.00 C ATOM 269 O VAL A 17 7.839 6.728 -5.505 1.00 0.00 O ATOM 270 CB VAL A 17 4.886 5.878 -5.978 1.00 0.00 C ATOM 271 CG1 VAL A 17 4.123 6.952 -5.206 1.00 0.00 C ATOM 272 CG2 VAL A 17 3.909 4.987 -6.727 1.00 0.00 C ATOM 0 H VAL A 17 6.619 4.557 -7.295 1.00 0.00 H new ATOM 0 HA VAL A 17 5.393 7.154 -7.648 1.00 0.00 H new ATOM 0 HB VAL A 17 5.440 5.273 -5.260 1.00 0.00 H new ATOM 0 HG11 VAL A 17 3.406 6.478 -4.536 1.00 0.00 H new ATOM 0 HG12 VAL A 17 4.825 7.549 -4.623 1.00 0.00 H new ATOM 0 HG13 VAL A 17 3.593 7.597 -5.907 1.00 0.00 H new ATOM 0 HG21 VAL A 17 3.191 4.563 -6.025 1.00 0.00 H new ATOM 0 HG22 VAL A 17 3.379 5.576 -7.476 1.00 0.00 H new ATOM 0 HG23 VAL A 17 4.455 4.182 -7.219 1.00 0.00 H new ATOM 282 N PRO A 18 6.929 8.667 -6.258 1.00 0.00 N ATOM 283 CA PRO A 18 7.868 9.549 -5.544 1.00 0.00 C ATOM 284 C PRO A 18 7.885 9.309 -4.023 1.00 0.00 C ATOM 285 O PRO A 18 6.827 9.083 -3.392 1.00 0.00 O ATOM 286 CB PRO A 18 7.335 10.957 -5.841 1.00 0.00 C ATOM 287 CG PRO A 18 6.577 10.818 -7.113 1.00 0.00 C ATOM 288 CD PRO A 18 5.976 9.443 -7.087 1.00 0.00 C ATOM 0 HA PRO A 18 8.894 9.377 -5.870 1.00 0.00 H new ATOM 0 HB2 PRO A 18 6.693 11.315 -5.036 1.00 0.00 H new ATOM 0 HB3 PRO A 18 8.149 11.675 -5.943 1.00 0.00 H new ATOM 0 HG2 PRO A 18 5.803 11.581 -7.191 1.00 0.00 H new ATOM 0 HG3 PRO A 18 7.234 10.941 -7.974 1.00 0.00 H new ATOM 0 HD2 PRO A 18 4.977 9.449 -6.651 1.00 0.00 H new ATOM 0 HD3 PRO A 18 5.884 9.026 -8.090 1.00 0.00 H new ATOM 296 N ALA A 19 9.079 9.416 -3.437 1.00 0.00 N ATOM 297 CA ALA A 19 9.315 9.218 -2.001 1.00 0.00 C ATOM 298 C ALA A 19 8.527 10.218 -1.157 1.00 0.00 C ATOM 299 O ALA A 19 8.304 9.998 0.032 1.00 0.00 O ATOM 300 CB ALA A 19 10.804 9.302 -1.685 1.00 0.00 C ATOM 0 H ALA A 19 9.927 9.647 -3.955 1.00 0.00 H new ATOM 0 HA ALA A 19 8.960 8.220 -1.743 1.00 0.00 H new ATOM 0 HB1 ALA A 19 10.958 9.153 -0.616 1.00 0.00 H new ATOM 0 HB2 ALA A 19 11.338 8.530 -2.240 1.00 0.00 H new ATOM 0 HB3 ALA A 19 11.182 10.283 -1.973 1.00 0.00 H new ATOM 306 N GLU A 20 8.095 11.304 -1.788 1.00 0.00 N ATOM 307 CA GLU A 20 7.224 12.298 -1.162 1.00 0.00 C ATOM 308 C GLU A 20 5.961 11.639 -0.587 1.00 0.00 C ATOM 309 O GLU A 20 5.426 12.084 0.432 1.00 0.00 O ATOM 310 CB GLU A 20 6.827 13.358 -2.185 1.00 0.00 C ATOM 311 CG GLU A 20 7.969 14.232 -2.654 1.00 0.00 C ATOM 312 CD GLU A 20 8.519 15.082 -1.543 1.00 0.00 C ATOM 313 OE1 GLU A 20 9.421 14.629 -0.814 1.00 0.00 O ATOM 314 OE2 GLU A 20 8.062 16.221 -1.370 1.00 0.00 O ATOM 0 H GLU A 20 8.339 11.523 -2.754 1.00 0.00 H new ATOM 0 HA GLU A 20 7.773 12.765 -0.345 1.00 0.00 H new ATOM 0 HB2 GLU A 20 6.385 12.863 -3.050 1.00 0.00 H new ATOM 0 HB3 GLU A 20 6.054 13.993 -1.751 1.00 0.00 H new ATOM 0 HG2 GLU A 20 8.764 13.605 -3.058 1.00 0.00 H new ATOM 0 HG3 GLU A 20 7.625 14.873 -3.465 1.00 0.00 H new ATOM 321 N LYS A 21 5.495 10.583 -1.243 1.00 0.00 N ATOM 322 CA LYS A 21 4.331 9.847 -0.772 1.00 0.00 C ATOM 323 C LYS A 21 4.687 8.399 -0.454 1.00 0.00 C ATOM 324 O LYS A 21 4.218 7.839 0.529 1.00 0.00 O ATOM 325 CB LYS A 21 3.190 9.893 -1.804 1.00 0.00 C ATOM 326 CG LYS A 21 2.685 11.292 -2.096 1.00 0.00 C ATOM 327 CD LYS A 21 1.538 11.292 -3.093 1.00 0.00 C ATOM 328 CE LYS A 21 1.085 12.712 -3.375 1.00 0.00 C ATOM 329 NZ LYS A 21 -0.028 12.778 -4.331 1.00 0.00 N ATOM 0 H LYS A 21 5.906 10.218 -2.102 1.00 0.00 H new ATOM 0 HA LYS A 21 3.991 10.330 0.144 1.00 0.00 H new ATOM 0 HB2 LYS A 21 3.535 9.440 -2.733 1.00 0.00 H new ATOM 0 HB3 LYS A 21 2.360 9.286 -1.442 1.00 0.00 H new ATOM 0 HG2 LYS A 21 2.357 11.759 -1.167 1.00 0.00 H new ATOM 0 HG3 LYS A 21 3.503 11.898 -2.486 1.00 0.00 H new ATOM 0 HD2 LYS A 21 1.853 10.813 -4.020 1.00 0.00 H new ATOM 0 HD3 LYS A 21 0.705 10.709 -2.700 1.00 0.00 H new ATOM 0 HE2 LYS A 21 0.783 13.184 -2.440 1.00 0.00 H new ATOM 0 HE3 LYS A 21 1.926 13.286 -3.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -0.295 13.771 -4.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 0.265 12.354 -5.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -0.843 12.255 -3.951 1.00 0.00 H new ATOM 343 N ALA A 22 5.551 7.808 -1.266 1.00 0.00 N ATOM 344 CA ALA A 22 5.889 6.400 -1.120 1.00 0.00 C ATOM 345 C ALA A 22 7.058 6.164 -0.178 1.00 0.00 C ATOM 346 O ALA A 22 7.405 5.028 0.079 1.00 0.00 O ATOM 347 CB ALA A 22 6.179 5.778 -2.471 1.00 0.00 C ATOM 0 H ALA A 22 6.030 8.281 -2.032 1.00 0.00 H new ATOM 0 HA ALA A 22 5.018 5.919 -0.675 1.00 0.00 H new ATOM 0 HB1 ALA A 22 6.430 4.725 -2.341 1.00 0.00 H new ATOM 0 HB2 ALA A 22 5.299 5.865 -3.108 1.00 0.00 H new ATOM 0 HB3 ALA A 22 7.017 6.295 -2.937 1.00 0.00 H new ATOM 353 N GLY A 23 7.637 7.228 0.346 1.00 0.00 N ATOM 354 CA GLY A 23 8.801 7.114 1.239 1.00 0.00 C ATOM 355 C GLY A 23 8.545 6.223 2.456 1.00 0.00 C ATOM 356 O GLY A 23 9.156 5.155 2.585 1.00 0.00 O ATOM 0 H GLY A 23 7.329 8.185 0.176 1.00 0.00 H new ATOM 0 HA2 GLY A 23 9.644 6.715 0.676 1.00 0.00 H new ATOM 0 HA3 GLY A 23 9.088 8.109 1.580 1.00 0.00 H new ATOM 360 N PRO A 24 7.629 6.616 3.363 1.00 0.00 N ATOM 361 CA PRO A 24 7.298 5.808 4.541 1.00 0.00 C ATOM 362 C PRO A 24 6.618 4.478 4.155 1.00 0.00 C ATOM 363 O PRO A 24 6.655 3.498 4.909 1.00 0.00 O ATOM 364 CB PRO A 24 6.351 6.709 5.342 1.00 0.00 C ATOM 365 CG PRO A 24 5.777 7.649 4.336 1.00 0.00 C ATOM 366 CD PRO A 24 6.873 7.895 3.347 1.00 0.00 C ATOM 0 HA PRO A 24 8.183 5.514 5.105 1.00 0.00 H new ATOM 0 HB2 PRO A 24 5.570 6.127 5.830 1.00 0.00 H new ATOM 0 HB3 PRO A 24 6.885 7.246 6.126 1.00 0.00 H new ATOM 0 HG2 PRO A 24 4.901 7.218 3.852 1.00 0.00 H new ATOM 0 HG3 PRO A 24 5.456 8.579 4.806 1.00 0.00 H new ATOM 0 HD2 PRO A 24 6.479 8.119 2.356 1.00 0.00 H new ATOM 0 HD3 PRO A 24 7.499 8.738 3.639 1.00 0.00 H new ATOM 374 N LEU A 25 6.056 4.444 2.960 1.00 0.00 N ATOM 375 CA LEU A 25 5.386 3.265 2.451 1.00 0.00 C ATOM 376 C LEU A 25 6.411 2.203 2.055 1.00 0.00 C ATOM 377 O LEU A 25 6.255 1.022 2.388 1.00 0.00 O ATOM 378 CB LEU A 25 4.445 3.653 1.295 1.00 0.00 C ATOM 379 CG LEU A 25 3.650 2.531 0.611 1.00 0.00 C ATOM 380 CD1 LEU A 25 2.874 1.698 1.623 1.00 0.00 C ATOM 381 CD2 LEU A 25 2.684 3.140 -0.383 1.00 0.00 C ATOM 0 H LEU A 25 6.052 5.235 2.316 1.00 0.00 H new ATOM 0 HA LEU A 25 4.766 2.825 3.232 1.00 0.00 H new ATOM 0 HB2 LEU A 25 3.732 4.385 1.675 1.00 0.00 H new ATOM 0 HB3 LEU A 25 5.041 4.154 0.532 1.00 0.00 H new ATOM 0 HG LEU A 25 4.356 1.874 0.103 1.00 0.00 H new ATOM 0 HD11 LEU A 25 2.324 0.914 1.103 1.00 0.00 H new ATOM 0 HD12 LEU A 25 3.569 1.246 2.331 1.00 0.00 H new ATOM 0 HD13 LEU A 25 2.174 2.338 2.160 1.00 0.00 H new ATOM 0 HD21 LEU A 25 2.117 2.348 -0.872 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.999 3.808 0.138 1.00 0.00 H new ATOM 0 HD23 LEU A 25 3.240 3.703 -1.132 1.00 0.00 H new ATOM 393 N GLN A 26 7.485 2.637 1.397 1.00 0.00 N ATOM 394 CA GLN A 26 8.593 1.755 1.037 1.00 0.00 C ATOM 395 C GLN A 26 9.241 1.180 2.281 1.00 0.00 C ATOM 396 O GLN A 26 9.695 0.036 2.282 1.00 0.00 O ATOM 397 CB GLN A 26 9.643 2.490 0.183 1.00 0.00 C ATOM 398 CG GLN A 26 9.217 2.763 -1.256 1.00 0.00 C ATOM 399 CD GLN A 26 9.162 1.503 -2.118 1.00 0.00 C ATOM 400 OE1 GLN A 26 8.912 0.399 -1.636 1.00 0.00 O ATOM 401 NE2 GLN A 26 9.395 1.657 -3.394 1.00 0.00 N ATOM 0 H GLN A 26 7.611 3.605 1.100 1.00 0.00 H new ATOM 0 HA GLN A 26 8.185 0.939 0.441 1.00 0.00 H new ATOM 0 HB2 GLN A 26 9.882 3.439 0.663 1.00 0.00 H new ATOM 0 HB3 GLN A 26 10.559 1.900 0.170 1.00 0.00 H new ATOM 0 HG2 GLN A 26 8.235 3.237 -1.254 1.00 0.00 H new ATOM 0 HG3 GLN A 26 9.912 3.472 -1.705 1.00 0.00 H new ATOM 0 HE21 GLN A 26 9.600 2.584 -3.767 1.00 0.00 H new ATOM 0 HE22 GLN A 26 9.372 0.850 -4.018 1.00 0.00 H new ATOM 410 N ARG A 27 9.280 1.972 3.342 1.00 0.00 N ATOM 411 CA ARG A 27 9.829 1.513 4.612 1.00 0.00 C ATOM 412 C ARG A 27 8.978 0.397 5.171 1.00 0.00 C ATOM 413 O ARG A 27 9.488 -0.656 5.532 1.00 0.00 O ATOM 414 CB ARG A 27 9.900 2.638 5.624 1.00 0.00 C ATOM 415 CG ARG A 27 10.788 3.782 5.212 1.00 0.00 C ATOM 416 CD ARG A 27 10.795 4.867 6.255 1.00 0.00 C ATOM 417 NE ARG A 27 11.510 6.040 5.781 1.00 0.00 N ATOM 418 CZ ARG A 27 11.044 7.287 5.822 1.00 0.00 C ATOM 419 NH1 ARG A 27 9.901 7.563 6.463 1.00 0.00 N ATOM 420 NH2 ARG A 27 11.726 8.256 5.235 1.00 0.00 N ATOM 0 H ARG A 27 8.939 2.933 3.351 1.00 0.00 H new ATOM 0 HA ARG A 27 10.840 1.152 4.423 1.00 0.00 H new ATOM 0 HB2 ARG A 27 8.894 3.018 5.799 1.00 0.00 H new ATOM 0 HB3 ARG A 27 10.259 2.237 6.572 1.00 0.00 H new ATOM 0 HG2 ARG A 27 11.804 3.419 5.054 1.00 0.00 H new ATOM 0 HG3 ARG A 27 10.444 4.189 4.262 1.00 0.00 H new ATOM 0 HD2 ARG A 27 9.770 5.139 6.509 1.00 0.00 H new ATOM 0 HD3 ARG A 27 11.262 4.496 7.168 1.00 0.00 H new ATOM 0 HE ARG A 27 12.440 5.897 5.387 1.00 0.00 H new ATOM 0 HH11 ARG A 27 9.381 6.816 6.924 1.00 0.00 H new ATOM 0 HH12 ARG A 27 9.550 8.520 6.490 1.00 0.00 H new ATOM 0 HH21 ARG A 27 12.601 8.046 4.756 1.00 0.00 H new ATOM 0 HH22 ARG A 27 11.377 9.214 5.261 1.00 0.00 H new ATOM 434 N TYR A 28 7.675 0.629 5.218 1.00 0.00 N ATOM 435 CA TYR A 28 6.717 -0.351 5.729 1.00 0.00 C ATOM 436 C TYR A 28 6.804 -1.634 4.908 1.00 0.00 C ATOM 437 O TYR A 28 6.917 -2.723 5.465 1.00 0.00 O ATOM 438 CB TYR A 28 5.293 0.220 5.677 1.00 0.00 C ATOM 439 CG TYR A 28 4.219 -0.610 6.385 1.00 0.00 C ATOM 440 CD1 TYR A 28 3.536 -1.642 5.733 1.00 0.00 C ATOM 441 CD2 TYR A 28 3.860 -0.324 7.695 1.00 0.00 C ATOM 442 CE1 TYR A 28 2.526 -2.352 6.375 1.00 0.00 C ATOM 443 CE2 TYR A 28 2.866 -1.034 8.341 1.00 0.00 C ATOM 444 CZ TYR A 28 2.199 -2.041 7.682 1.00 0.00 C ATOM 445 OH TYR A 28 1.189 -2.724 8.331 1.00 0.00 O ATOM 0 H TYR A 28 7.248 1.500 4.904 1.00 0.00 H new ATOM 0 HA TYR A 28 6.960 -0.578 6.767 1.00 0.00 H new ATOM 0 HB2 TYR A 28 5.305 1.217 6.117 1.00 0.00 H new ATOM 0 HB3 TYR A 28 5.006 0.337 4.632 1.00 0.00 H new ATOM 0 HD1 TYR A 28 3.797 -1.892 4.715 1.00 0.00 H new ATOM 0 HD2 TYR A 28 4.369 0.471 8.221 1.00 0.00 H new ATOM 0 HE1 TYR A 28 2.001 -3.140 5.856 1.00 0.00 H new ATOM 0 HE2 TYR A 28 2.612 -0.798 9.364 1.00 0.00 H new ATOM 0 HH TYR A 28 1.159 -3.649 8.008 1.00 0.00 H new ATOM 455 N ALA A 29 6.808 -1.482 3.587 1.00 0.00 N ATOM 456 CA ALA A 29 6.899 -2.607 2.660 1.00 0.00 C ATOM 457 C ALA A 29 8.175 -3.411 2.897 1.00 0.00 C ATOM 458 O ALA A 29 8.129 -4.645 3.017 1.00 0.00 O ATOM 459 CB ALA A 29 6.837 -2.117 1.218 1.00 0.00 C ATOM 0 H ALA A 29 6.748 -0.573 3.127 1.00 0.00 H new ATOM 0 HA ALA A 29 6.048 -3.263 2.841 1.00 0.00 H new ATOM 0 HB1 ALA A 29 6.906 -2.969 0.541 1.00 0.00 H new ATOM 0 HB2 ALA A 29 5.894 -1.596 1.051 1.00 0.00 H new ATOM 0 HB3 ALA A 29 7.666 -1.435 1.029 1.00 0.00 H new ATOM 465 N ALA A 30 9.304 -2.709 3.013 1.00 0.00 N ATOM 466 CA ALA A 30 10.588 -3.359 3.256 1.00 0.00 C ATOM 467 C ALA A 30 10.594 -4.033 4.617 1.00 0.00 C ATOM 468 O ALA A 30 11.194 -5.093 4.790 1.00 0.00 O ATOM 469 CB ALA A 30 11.736 -2.368 3.148 1.00 0.00 C ATOM 0 H ALA A 30 9.353 -1.693 2.942 1.00 0.00 H new ATOM 0 HA ALA A 30 10.729 -4.120 2.489 1.00 0.00 H new ATOM 0 HB1 ALA A 30 12.679 -2.882 3.334 1.00 0.00 H new ATOM 0 HB2 ALA A 30 11.750 -1.935 2.148 1.00 0.00 H new ATOM 0 HB3 ALA A 30 11.603 -1.576 3.885 1.00 0.00 H new ATOM 475 N THR A 31 9.906 -3.430 5.572 1.00 0.00 N ATOM 476 CA THR A 31 9.782 -3.989 6.898 1.00 0.00 C ATOM 477 C THR A 31 8.994 -5.307 6.837 1.00 0.00 C ATOM 478 O THR A 31 9.396 -6.289 7.425 1.00 0.00 O ATOM 479 CB THR A 31 9.111 -2.988 7.882 1.00 0.00 C ATOM 480 OG1 THR A 31 9.858 -1.757 7.898 1.00 0.00 O ATOM 481 CG2 THR A 31 9.063 -3.552 9.299 1.00 0.00 C ATOM 0 H THR A 31 9.421 -2.542 5.446 1.00 0.00 H new ATOM 0 HA THR A 31 10.784 -4.191 7.278 1.00 0.00 H new ATOM 0 HB THR A 31 8.091 -2.812 7.541 1.00 0.00 H new ATOM 0 HG1 THR A 31 9.810 -1.334 7.015 1.00 0.00 H new ATOM 0 HG21 THR A 31 8.589 -2.829 9.963 1.00 0.00 H new ATOM 0 HG22 THR A 31 8.489 -4.479 9.302 1.00 0.00 H new ATOM 0 HG23 THR A 31 10.077 -3.752 9.646 1.00 0.00 H new ATOM 489 N ILE A 32 7.909 -5.329 6.069 1.00 0.00 N ATOM 490 CA ILE A 32 7.102 -6.544 5.919 1.00 0.00 C ATOM 491 C ILE A 32 7.950 -7.651 5.280 1.00 0.00 C ATOM 492 O ILE A 32 7.961 -8.803 5.753 1.00 0.00 O ATOM 493 CB ILE A 32 5.822 -6.295 5.063 1.00 0.00 C ATOM 494 CG1 ILE A 32 4.957 -5.177 5.675 1.00 0.00 C ATOM 495 CG2 ILE A 32 4.999 -7.576 4.899 1.00 0.00 C ATOM 496 CD1 ILE A 32 4.536 -5.416 7.113 1.00 0.00 C ATOM 0 H ILE A 32 7.566 -4.526 5.542 1.00 0.00 H new ATOM 0 HA ILE A 32 6.777 -6.851 6.913 1.00 0.00 H new ATOM 0 HB ILE A 32 6.150 -5.976 4.074 1.00 0.00 H new ATOM 0 HG12 ILE A 32 5.510 -4.239 5.624 1.00 0.00 H new ATOM 0 HG13 ILE A 32 4.062 -5.053 5.065 1.00 0.00 H new ATOM 0 HG21 ILE A 32 4.115 -7.366 4.297 1.00 0.00 H new ATOM 0 HG22 ILE A 32 5.603 -8.336 4.403 1.00 0.00 H new ATOM 0 HG23 ILE A 32 4.693 -7.940 5.880 1.00 0.00 H new ATOM 0 HD11 ILE A 32 3.931 -4.578 7.459 1.00 0.00 H new ATOM 0 HD12 ILE A 32 3.952 -6.334 7.173 1.00 0.00 H new ATOM 0 HD13 ILE A 32 5.422 -5.508 7.741 1.00 0.00 H new ATOM 508 N GLN A 33 8.687 -7.279 4.239 1.00 0.00 N ATOM 509 CA GLN A 33 9.597 -8.194 3.563 1.00 0.00 C ATOM 510 C GLN A 33 10.642 -8.739 4.520 1.00 0.00 C ATOM 511 O GLN A 33 10.856 -9.937 4.578 1.00 0.00 O ATOM 512 CB GLN A 33 10.290 -7.522 2.388 1.00 0.00 C ATOM 513 CG GLN A 33 9.413 -7.290 1.177 1.00 0.00 C ATOM 514 CD GLN A 33 10.155 -6.548 0.089 1.00 0.00 C ATOM 515 OE1 GLN A 33 11.027 -5.714 0.368 1.00 0.00 O ATOM 516 NE2 GLN A 33 9.875 -6.869 -1.143 1.00 0.00 N ATOM 0 H GLN A 33 8.670 -6.339 3.842 1.00 0.00 H new ATOM 0 HA GLN A 33 8.993 -9.021 3.189 1.00 0.00 H new ATOM 0 HB2 GLN A 33 10.687 -6.563 2.720 1.00 0.00 H new ATOM 0 HB3 GLN A 33 11.142 -8.133 2.090 1.00 0.00 H new ATOM 0 HG2 GLN A 33 9.062 -8.247 0.792 1.00 0.00 H new ATOM 0 HG3 GLN A 33 8.530 -6.722 1.469 1.00 0.00 H new ATOM 0 HE21 GLN A 33 9.151 -7.560 -1.338 1.00 0.00 H new ATOM 0 HE22 GLN A 33 10.380 -6.429 -1.912 1.00 0.00 H new ATOM 525 N SER A 34 11.259 -7.866 5.285 1.00 0.00 N ATOM 526 CA SER A 34 12.293 -8.270 6.214 1.00 0.00 C ATOM 527 C SER A 34 11.739 -9.083 7.392 1.00 0.00 C ATOM 528 O SER A 34 12.371 -10.048 7.825 1.00 0.00 O ATOM 529 CB SER A 34 13.143 -7.071 6.653 1.00 0.00 C ATOM 530 OG SER A 34 12.334 -5.968 7.034 1.00 0.00 O ATOM 0 H SER A 34 11.062 -6.865 5.282 1.00 0.00 H new ATOM 0 HA SER A 34 12.961 -8.951 5.686 1.00 0.00 H new ATOM 0 HB2 SER A 34 13.779 -7.362 7.489 1.00 0.00 H new ATOM 0 HB3 SER A 34 13.803 -6.774 5.838 1.00 0.00 H new ATOM 0 HG SER A 34 12.160 -5.404 6.251 1.00 0.00 H new ATOM 536 N GLN A 35 10.545 -8.725 7.872 1.00 0.00 N ATOM 537 CA GLN A 35 9.884 -9.478 8.939 1.00 0.00 C ATOM 538 C GLN A 35 9.618 -10.911 8.511 1.00 0.00 C ATOM 539 O GLN A 35 10.001 -11.851 9.208 1.00 0.00 O ATOM 540 CB GLN A 35 8.575 -8.810 9.391 1.00 0.00 C ATOM 541 CG GLN A 35 8.764 -7.522 10.179 1.00 0.00 C ATOM 542 CD GLN A 35 9.508 -7.731 11.487 1.00 0.00 C ATOM 543 OE1 GLN A 35 9.421 -8.798 12.113 1.00 0.00 O ATOM 544 NE2 GLN A 35 10.225 -6.736 11.919 1.00 0.00 N ATOM 0 H GLN A 35 10.017 -7.919 7.538 1.00 0.00 H new ATOM 0 HA GLN A 35 10.566 -9.485 9.789 1.00 0.00 H new ATOM 0 HB2 GLN A 35 7.968 -8.597 8.511 1.00 0.00 H new ATOM 0 HB3 GLN A 35 8.014 -9.516 10.003 1.00 0.00 H new ATOM 0 HG2 GLN A 35 9.311 -6.805 9.567 1.00 0.00 H new ATOM 0 HG3 GLN A 35 7.788 -7.084 10.388 1.00 0.00 H new ATOM 0 HE21 GLN A 35 10.275 -5.872 11.380 1.00 0.00 H new ATOM 0 HE22 GLN A 35 10.737 -6.820 12.797 1.00 0.00 H new ATOM 553 N ARG A 36 9.008 -11.085 7.343 1.00 0.00 N ATOM 554 CA ARG A 36 8.715 -12.435 6.845 1.00 0.00 C ATOM 555 C ARG A 36 10.002 -13.111 6.397 1.00 0.00 C ATOM 556 O ARG A 36 10.133 -14.332 6.448 1.00 0.00 O ATOM 557 CB ARG A 36 7.757 -12.397 5.635 1.00 0.00 C ATOM 558 CG ARG A 36 6.370 -11.811 5.878 1.00 0.00 C ATOM 559 CD ARG A 36 5.534 -11.881 4.593 1.00 0.00 C ATOM 560 NE ARG A 36 4.209 -11.256 4.738 1.00 0.00 N ATOM 561 CZ ARG A 36 3.324 -11.051 3.738 1.00 0.00 C ATOM 562 NH1 ARG A 36 3.523 -11.593 2.526 1.00 0.00 N ATOM 563 NH2 ARG A 36 2.218 -10.354 3.977 1.00 0.00 N ATOM 0 H ARG A 36 8.709 -10.327 6.729 1.00 0.00 H new ATOM 0 HA ARG A 36 8.246 -12.986 7.660 1.00 0.00 H new ATOM 0 HB2 ARG A 36 8.235 -11.823 4.841 1.00 0.00 H new ATOM 0 HB3 ARG A 36 7.636 -13.415 5.264 1.00 0.00 H new ATOM 0 HG2 ARG A 36 5.870 -12.359 6.676 1.00 0.00 H new ATOM 0 HG3 ARG A 36 6.457 -10.776 6.208 1.00 0.00 H new ATOM 0 HD2 ARG A 36 6.076 -11.389 3.785 1.00 0.00 H new ATOM 0 HD3 ARG A 36 5.409 -12.924 4.303 1.00 0.00 H new ATOM 0 HE ARG A 36 3.936 -10.952 5.673 1.00 0.00 H new ATOM 0 HH11 ARG A 36 4.349 -12.166 2.353 1.00 0.00 H new ATOM 0 HH12 ARG A 36 2.848 -11.432 1.778 1.00 0.00 H new ATOM 0 HH21 ARG A 36 2.043 -9.979 4.909 1.00 0.00 H new ATOM 0 HH22 ARG A 36 1.544 -10.194 3.228 1.00 0.00 H new ATOM 577 N GLY A 37 10.963 -12.296 6.006 1.00 0.00 N ATOM 578 CA GLY A 37 12.170 -12.800 5.409 1.00 0.00 C ATOM 579 C GLY A 37 11.830 -13.270 4.027 1.00 0.00 C ATOM 580 O GLY A 37 12.265 -14.321 3.575 1.00 0.00 O ATOM 0 H GLY A 37 10.924 -11.281 6.094 1.00 0.00 H new ATOM 0 HA2 GLY A 37 12.933 -12.022 5.372 1.00 0.00 H new ATOM 0 HA3 GLY A 37 12.578 -13.618 6.002 1.00 0.00 H new ATOM 584 N ASP A 38 11.011 -12.483 3.373 1.00 0.00 N ATOM 585 CA ASP A 38 10.461 -12.824 2.081 1.00 0.00 C ATOM 586 C ASP A 38 11.187 -12.024 1.012 1.00 0.00 C ATOM 587 O ASP A 38 11.386 -10.812 1.166 1.00 0.00 O ATOM 588 CB ASP A 38 8.967 -12.492 2.064 1.00 0.00 C ATOM 589 CG ASP A 38 8.221 -13.157 0.939 1.00 0.00 C ATOM 590 OD1 ASP A 38 8.651 -13.067 -0.209 1.00 0.00 O ATOM 591 OD2 ASP A 38 7.160 -13.786 1.208 1.00 0.00 O ATOM 0 H ASP A 38 10.703 -11.577 3.726 1.00 0.00 H new ATOM 0 HA ASP A 38 10.589 -13.889 1.886 1.00 0.00 H new ATOM 0 HB2 ASP A 38 8.524 -12.795 3.013 1.00 0.00 H new ATOM 0 HB3 ASP A 38 8.843 -11.412 1.984 1.00 0.00 H new ATOM 596 N TYR A 39 11.590 -12.686 -0.049 1.00 0.00 N ATOM 597 CA TYR A 39 12.369 -12.056 -1.109 1.00 0.00 C ATOM 598 C TYR A 39 11.476 -11.687 -2.320 1.00 0.00 C ATOM 599 O TYR A 39 11.961 -11.350 -3.402 1.00 0.00 O ATOM 600 CB TYR A 39 13.532 -13.000 -1.506 1.00 0.00 C ATOM 601 CG TYR A 39 14.547 -12.429 -2.476 1.00 0.00 C ATOM 602 CD1 TYR A 39 15.252 -11.268 -2.181 1.00 0.00 C ATOM 603 CD2 TYR A 39 14.790 -13.052 -3.686 1.00 0.00 C ATOM 604 CE1 TYR A 39 16.171 -10.749 -3.073 1.00 0.00 C ATOM 605 CE2 TYR A 39 15.704 -12.544 -4.578 1.00 0.00 C ATOM 606 CZ TYR A 39 16.393 -11.394 -4.270 1.00 0.00 C ATOM 607 OH TYR A 39 17.306 -10.883 -5.171 1.00 0.00 O ATOM 0 H TYR A 39 11.391 -13.674 -0.208 1.00 0.00 H new ATOM 0 HA TYR A 39 12.789 -11.118 -0.746 1.00 0.00 H new ATOM 0 HB2 TYR A 39 14.055 -13.302 -0.599 1.00 0.00 H new ATOM 0 HB3 TYR A 39 13.108 -13.903 -1.944 1.00 0.00 H new ATOM 0 HD1 TYR A 39 15.079 -10.764 -1.241 1.00 0.00 H new ATOM 0 HD2 TYR A 39 14.252 -13.955 -3.935 1.00 0.00 H new ATOM 0 HE1 TYR A 39 16.711 -9.845 -2.834 1.00 0.00 H new ATOM 0 HE2 TYR A 39 15.881 -13.046 -5.518 1.00 0.00 H new ATOM 0 HH TYR A 39 17.342 -11.460 -5.963 1.00 0.00 H new ATOM 617 N ASN A 40 10.181 -11.753 -2.134 1.00 0.00 N ATOM 618 CA ASN A 40 9.232 -11.372 -3.165 1.00 0.00 C ATOM 619 C ASN A 40 9.195 -9.868 -3.324 1.00 0.00 C ATOM 620 O ASN A 40 8.678 -9.135 -2.472 1.00 0.00 O ATOM 621 CB ASN A 40 7.838 -11.960 -2.879 1.00 0.00 C ATOM 622 CG ASN A 40 6.694 -11.357 -3.684 1.00 0.00 C ATOM 623 OD1 ASN A 40 6.852 -10.868 -4.811 1.00 0.00 O ATOM 624 ND2 ASN A 40 5.532 -11.410 -3.112 1.00 0.00 N ATOM 0 H ASN A 40 9.750 -12.071 -1.266 1.00 0.00 H new ATOM 0 HA ASN A 40 9.564 -11.792 -4.114 1.00 0.00 H new ATOM 0 HB2 ASN A 40 7.869 -13.032 -3.072 1.00 0.00 H new ATOM 0 HB3 ASN A 40 7.620 -11.833 -1.819 1.00 0.00 H new ATOM 0 HD21 ASN A 40 4.710 -11.042 -3.591 1.00 0.00 H new ATOM 0 HD22 ASN A 40 5.439 -11.820 -2.183 1.00 0.00 H new ATOM 631 N GLY A 41 9.799 -9.425 -4.389 1.00 0.00 N ATOM 632 CA GLY A 41 9.838 -8.026 -4.719 1.00 0.00 C ATOM 633 C GLY A 41 8.950 -7.695 -5.900 1.00 0.00 C ATOM 634 O GLY A 41 9.163 -6.697 -6.584 1.00 0.00 O ATOM 0 H GLY A 41 10.281 -10.026 -5.057 1.00 0.00 H new ATOM 0 HA2 GLY A 41 9.524 -7.441 -3.855 1.00 0.00 H new ATOM 0 HA3 GLY A 41 10.864 -7.736 -4.945 1.00 0.00 H new ATOM 638 N LYS A 42 7.954 -8.525 -6.137 1.00 0.00 N ATOM 639 CA LYS A 42 7.054 -8.323 -7.252 1.00 0.00 C ATOM 640 C LYS A 42 5.773 -7.632 -6.771 1.00 0.00 C ATOM 641 O LYS A 42 5.495 -6.474 -7.113 1.00 0.00 O ATOM 642 CB LYS A 42 6.719 -9.688 -7.887 1.00 0.00 C ATOM 643 CG LYS A 42 5.827 -9.630 -9.120 1.00 0.00 C ATOM 644 CD LYS A 42 6.521 -8.935 -10.271 1.00 0.00 C ATOM 645 CE LYS A 42 5.645 -8.902 -11.506 1.00 0.00 C ATOM 646 NZ LYS A 42 6.329 -8.263 -12.636 1.00 0.00 N ATOM 0 H LYS A 42 7.748 -9.348 -5.570 1.00 0.00 H new ATOM 0 HA LYS A 42 7.532 -7.687 -7.997 1.00 0.00 H new ATOM 0 HB2 LYS A 42 7.652 -10.184 -8.156 1.00 0.00 H new ATOM 0 HB3 LYS A 42 6.233 -10.310 -7.136 1.00 0.00 H new ATOM 0 HG2 LYS A 42 5.549 -10.641 -9.418 1.00 0.00 H new ATOM 0 HG3 LYS A 42 4.904 -9.104 -8.879 1.00 0.00 H new ATOM 0 HD2 LYS A 42 6.781 -7.917 -9.980 1.00 0.00 H new ATOM 0 HD3 LYS A 42 7.455 -9.449 -10.499 1.00 0.00 H new ATOM 0 HE2 LYS A 42 5.362 -9.918 -11.779 1.00 0.00 H new ATOM 0 HE3 LYS A 42 4.724 -8.363 -11.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 5.624 -7.891 -13.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 6.921 -7.482 -12.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 6.928 -8.962 -13.120 1.00 0.00 H new ATOM 660 N VAL A 43 5.028 -8.327 -5.937 1.00 0.00 N ATOM 661 CA VAL A 43 3.771 -7.831 -5.399 1.00 0.00 C ATOM 662 C VAL A 43 3.649 -8.262 -3.955 1.00 0.00 C ATOM 663 O VAL A 43 3.809 -9.428 -3.644 1.00 0.00 O ATOM 664 CB VAL A 43 2.507 -8.325 -6.211 1.00 0.00 C ATOM 665 CG1 VAL A 43 2.449 -7.698 -7.593 1.00 0.00 C ATOM 666 CG2 VAL A 43 2.468 -9.847 -6.339 1.00 0.00 C ATOM 0 H VAL A 43 5.277 -9.260 -5.609 1.00 0.00 H new ATOM 0 HA VAL A 43 3.789 -6.744 -5.482 1.00 0.00 H new ATOM 0 HB VAL A 43 1.635 -8.004 -5.641 1.00 0.00 H new ATOM 0 HG11 VAL A 43 1.567 -8.061 -8.121 1.00 0.00 H new ATOM 0 HG12 VAL A 43 2.394 -6.613 -7.498 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.344 -7.968 -8.153 1.00 0.00 H new ATOM 0 HG21 VAL A 43 1.584 -10.142 -6.904 1.00 0.00 H new ATOM 0 HG22 VAL A 43 3.362 -10.191 -6.859 1.00 0.00 H new ATOM 0 HG23 VAL A 43 2.431 -10.295 -5.346 1.00 0.00 H new ATOM 676 N LEU A 44 3.394 -7.344 -3.088 1.00 0.00 N ATOM 677 CA LEU A 44 3.295 -7.657 -1.690 1.00 0.00 C ATOM 678 C LEU A 44 1.838 -7.706 -1.285 1.00 0.00 C ATOM 679 O LEU A 44 1.107 -6.727 -1.450 1.00 0.00 O ATOM 680 CB LEU A 44 4.052 -6.618 -0.860 1.00 0.00 C ATOM 681 CG LEU A 44 4.117 -6.860 0.653 1.00 0.00 C ATOM 682 CD1 LEU A 44 4.859 -8.152 0.970 1.00 0.00 C ATOM 683 CD2 LEU A 44 4.778 -5.682 1.347 1.00 0.00 C ATOM 0 H LEU A 44 3.248 -6.361 -3.317 1.00 0.00 H new ATOM 0 HA LEU A 44 3.745 -8.632 -1.506 1.00 0.00 H new ATOM 0 HB2 LEU A 44 5.072 -6.557 -1.239 1.00 0.00 H new ATOM 0 HB3 LEU A 44 3.591 -5.645 -1.030 1.00 0.00 H new ATOM 0 HG LEU A 44 3.097 -6.959 1.025 1.00 0.00 H new ATOM 0 HD11 LEU A 44 4.890 -8.298 2.050 1.00 0.00 H new ATOM 0 HD12 LEU A 44 4.343 -8.992 0.505 1.00 0.00 H new ATOM 0 HD13 LEU A 44 5.876 -8.092 0.583 1.00 0.00 H new ATOM 0 HD21 LEU A 44 4.817 -5.867 2.420 1.00 0.00 H new ATOM 0 HD22 LEU A 44 5.790 -5.555 0.963 1.00 0.00 H new ATOM 0 HD23 LEU A 44 4.201 -4.777 1.156 1.00 0.00 H new ATOM 695 N SER A 45 1.412 -8.840 -0.804 1.00 0.00 N ATOM 696 CA SER A 45 0.068 -9.003 -0.348 1.00 0.00 C ATOM 697 C SER A 45 0.031 -8.738 1.145 1.00 0.00 C ATOM 698 O SER A 45 0.659 -9.462 1.932 1.00 0.00 O ATOM 699 CB SER A 45 -0.446 -10.425 -0.655 1.00 0.00 C ATOM 700 OG SER A 45 -1.842 -10.555 -0.376 1.00 0.00 O ATOM 0 H SER A 45 1.990 -9.676 -0.719 1.00 0.00 H new ATOM 0 HA SER A 45 -0.582 -8.298 -0.867 1.00 0.00 H new ATOM 0 HB2 SER A 45 -0.261 -10.660 -1.703 1.00 0.00 H new ATOM 0 HB3 SER A 45 0.112 -11.150 -0.062 1.00 0.00 H new ATOM 0 HG SER A 45 -2.068 -11.503 -0.272 1.00 0.00 H new ATOM 706 N ILE A 46 -0.649 -7.694 1.533 1.00 0.00 N ATOM 707 CA ILE A 46 -0.790 -7.382 2.930 1.00 0.00 C ATOM 708 C ILE A 46 -2.239 -7.550 3.346 1.00 0.00 C ATOM 709 O ILE A 46 -3.119 -7.791 2.498 1.00 0.00 O ATOM 710 CB ILE A 46 -0.270 -5.948 3.345 1.00 0.00 C ATOM 711 CG1 ILE A 46 -1.160 -4.764 2.828 1.00 0.00 C ATOM 712 CG2 ILE A 46 1.187 -5.749 2.941 1.00 0.00 C ATOM 713 CD1 ILE A 46 -1.170 -4.524 1.335 1.00 0.00 C ATOM 0 H ILE A 46 -1.115 -7.043 0.901 1.00 0.00 H new ATOM 0 HA ILE A 46 -0.148 -8.087 3.458 1.00 0.00 H new ATOM 0 HB ILE A 46 -0.345 -5.920 4.432 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -2.186 -4.943 3.151 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -0.827 -3.849 3.318 1.00 0.00 H new ATOM 0 HG21 ILE A 46 1.515 -4.753 3.240 1.00 0.00 H new ATOM 0 HG22 ILE A 46 1.807 -6.498 3.433 1.00 0.00 H new ATOM 0 HG23 ILE A 46 1.282 -5.853 1.860 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -1.821 -3.680 1.106 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -0.158 -4.304 0.995 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -1.538 -5.415 0.826 1.00 0.00 H new ATOM 725 N ARG A 47 -2.486 -7.432 4.620 1.00 0.00 N ATOM 726 CA ARG A 47 -3.813 -7.542 5.163 1.00 0.00 C ATOM 727 C ARG A 47 -4.502 -6.204 5.091 1.00 0.00 C ATOM 728 O ARG A 47 -3.855 -5.166 4.946 1.00 0.00 O ATOM 729 CB ARG A 47 -3.732 -7.959 6.638 1.00 0.00 C ATOM 730 CG ARG A 47 -3.395 -9.414 6.890 1.00 0.00 C ATOM 731 CD ARG A 47 -4.599 -10.302 6.632 1.00 0.00 C ATOM 732 NE ARG A 47 -5.723 -9.963 7.531 1.00 0.00 N ATOM 733 CZ ARG A 47 -6.814 -10.712 7.731 1.00 0.00 C ATOM 734 NH1 ARG A 47 -6.921 -11.929 7.180 1.00 0.00 N ATOM 735 NH2 ARG A 47 -7.789 -10.246 8.498 1.00 0.00 N ATOM 0 H ARG A 47 -1.765 -7.255 5.319 1.00 0.00 H new ATOM 0 HA ARG A 47 -4.368 -8.284 4.589 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -2.982 -7.340 7.131 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -4.689 -7.739 7.112 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -2.570 -9.717 6.245 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -3.059 -9.541 7.919 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -4.916 -10.195 5.595 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -4.320 -11.346 6.774 1.00 0.00 H new ATOM 0 HE ARG A 47 -5.662 -9.083 8.043 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -6.166 -12.295 6.600 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -7.758 -12.490 7.340 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -7.703 -9.325 8.929 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -8.625 -10.808 8.658 1.00 0.00 H new ATOM 749 N GLN A 48 -5.805 -6.221 5.226 1.00 0.00 N ATOM 750 CA GLN A 48 -6.581 -4.993 5.367 1.00 0.00 C ATOM 751 C GLN A 48 -6.209 -4.320 6.672 1.00 0.00 C ATOM 752 O GLN A 48 -6.320 -3.114 6.825 1.00 0.00 O ATOM 753 CB GLN A 48 -8.116 -5.211 5.238 1.00 0.00 C ATOM 754 CG GLN A 48 -8.661 -6.506 5.855 1.00 0.00 C ATOM 755 CD GLN A 48 -8.345 -7.738 5.004 1.00 0.00 C ATOM 756 OE1 GLN A 48 -8.362 -7.588 3.701 1.00 0.00 O flip ATOM 757 NE2 GLN A 48 -8.134 -8.817 5.520 1.00 0.00 N flip ATOM 0 H GLN A 48 -6.363 -7.075 5.242 1.00 0.00 H new ATOM 0 HA GLN A 48 -6.325 -4.337 4.535 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -8.624 -4.367 5.704 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -8.378 -5.196 4.180 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -8.237 -6.637 6.850 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -9.741 -6.420 5.978 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -8.127 -8.904 6.536 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -7.964 -9.637 4.937 1.00 0.00 H new ATOM 766 N ASP A 49 -5.719 -5.130 7.593 1.00 0.00 N ATOM 767 CA ASP A 49 -5.190 -4.670 8.864 1.00 0.00 C ATOM 768 C ASP A 49 -3.936 -3.849 8.614 1.00 0.00 C ATOM 769 O ASP A 49 -3.670 -2.871 9.296 1.00 0.00 O ATOM 770 CB ASP A 49 -4.835 -5.860 9.757 1.00 0.00 C ATOM 771 CG ASP A 49 -5.962 -6.841 9.919 1.00 0.00 C ATOM 772 OD1 ASP A 49 -6.125 -7.715 9.047 1.00 0.00 O ATOM 773 OD2 ASP A 49 -6.702 -6.767 10.929 1.00 0.00 O ATOM 0 H ASP A 49 -5.677 -6.142 7.477 1.00 0.00 H new ATOM 0 HA ASP A 49 -5.947 -4.064 9.362 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -3.972 -6.376 9.336 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -4.539 -5.492 10.739 1.00 0.00 H new ATOM 778 N ASP A 50 -3.175 -4.231 7.619 1.00 0.00 N ATOM 779 CA ASP A 50 -1.982 -3.477 7.271 1.00 0.00 C ATOM 780 C ASP A 50 -2.396 -2.233 6.549 1.00 0.00 C ATOM 781 O ASP A 50 -1.880 -1.158 6.815 1.00 0.00 O ATOM 782 CB ASP A 50 -0.979 -4.271 6.415 1.00 0.00 C ATOM 783 CG ASP A 50 -0.395 -5.497 7.087 1.00 0.00 C ATOM 784 OD1 ASP A 50 0.447 -5.350 8.008 1.00 0.00 O ATOM 785 OD2 ASP A 50 -0.746 -6.641 6.691 1.00 0.00 O ATOM 0 H ASP A 50 -3.352 -5.050 7.037 1.00 0.00 H new ATOM 0 HA ASP A 50 -1.464 -3.240 8.200 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -1.475 -4.581 5.495 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -0.162 -3.608 6.130 1.00 0.00 H new ATOM 790 N LEU A 51 -3.367 -2.390 5.663 1.00 0.00 N ATOM 791 CA LEU A 51 -3.965 -1.288 4.916 1.00 0.00 C ATOM 792 C LEU A 51 -4.432 -0.191 5.879 1.00 0.00 C ATOM 793 O LEU A 51 -4.111 0.989 5.707 1.00 0.00 O ATOM 794 CB LEU A 51 -5.165 -1.813 4.130 1.00 0.00 C ATOM 795 CG LEU A 51 -5.939 -0.807 3.282 1.00 0.00 C ATOM 796 CD1 LEU A 51 -5.139 -0.396 2.056 1.00 0.00 C ATOM 797 CD2 LEU A 51 -7.294 -1.373 2.895 1.00 0.00 C ATOM 0 H LEU A 51 -3.770 -3.299 5.437 1.00 0.00 H new ATOM 0 HA LEU A 51 -3.224 -0.871 4.234 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -4.816 -2.610 3.474 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -5.861 -2.264 4.837 1.00 0.00 H new ATOM 0 HG LEU A 51 -6.105 0.090 3.878 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -5.714 0.321 1.470 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -4.201 0.061 2.370 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -4.928 -1.275 1.448 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -7.834 -0.644 2.291 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -7.155 -2.289 2.321 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -7.867 -1.593 3.796 1.00 0.00 H new ATOM 809 N ARG A 52 -5.163 -0.597 6.916 1.00 0.00 N ATOM 810 CA ARG A 52 -5.649 0.350 7.888 1.00 0.00 C ATOM 811 C ARG A 52 -4.536 0.964 8.721 1.00 0.00 C ATOM 812 O ARG A 52 -4.630 2.108 9.128 1.00 0.00 O ATOM 813 CB ARG A 52 -6.845 -0.174 8.730 1.00 0.00 C ATOM 814 CG ARG A 52 -6.656 -1.443 9.560 1.00 0.00 C ATOM 815 CD ARG A 52 -5.731 -1.260 10.753 1.00 0.00 C ATOM 816 NE ARG A 52 -6.185 -0.223 11.668 1.00 0.00 N ATOM 817 CZ ARG A 52 -5.456 0.287 12.663 1.00 0.00 C ATOM 818 NH1 ARG A 52 -4.172 -0.072 12.825 1.00 0.00 N ATOM 819 NH2 ARG A 52 -6.004 1.174 13.482 1.00 0.00 N ATOM 0 H ARG A 52 -5.424 -1.567 7.094 1.00 0.00 H new ATOM 0 HA ARG A 52 -6.067 1.173 7.308 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -7.146 0.624 9.409 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -7.679 -0.345 8.049 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -7.629 -1.783 9.915 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -6.257 -2.230 8.919 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -5.651 -2.204 11.292 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -4.732 -1.011 10.397 1.00 0.00 H new ATOM 0 HE ARG A 52 -7.129 0.141 11.539 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -3.745 -0.741 12.184 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -3.624 0.324 13.589 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -6.974 1.460 13.348 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -5.456 1.570 14.246 1.00 0.00 H new ATOM 833 N THR A 53 -3.470 0.216 8.934 1.00 0.00 N ATOM 834 CA THR A 53 -2.350 0.718 9.682 1.00 0.00 C ATOM 835 C THR A 53 -1.600 1.763 8.842 1.00 0.00 C ATOM 836 O THR A 53 -1.234 2.814 9.353 1.00 0.00 O ATOM 837 CB THR A 53 -1.424 -0.434 10.146 1.00 0.00 C ATOM 838 OG1 THR A 53 -2.208 -1.355 10.943 1.00 0.00 O ATOM 839 CG2 THR A 53 -0.266 0.090 10.992 1.00 0.00 C ATOM 0 H THR A 53 -3.363 -0.741 8.597 1.00 0.00 H new ATOM 0 HA THR A 53 -2.712 1.205 10.588 1.00 0.00 H new ATOM 0 HB THR A 53 -1.008 -0.927 9.267 1.00 0.00 H new ATOM 0 HG1 THR A 53 -2.752 -1.918 10.353 1.00 0.00 H new ATOM 0 HG21 THR A 53 0.365 -0.743 11.301 1.00 0.00 H new ATOM 0 HG22 THR A 53 0.324 0.793 10.405 1.00 0.00 H new ATOM 0 HG23 THR A 53 -0.659 0.595 11.874 1.00 0.00 H new ATOM 847 N LEU A 54 -1.453 1.485 7.537 1.00 0.00 N ATOM 848 CA LEU A 54 -0.841 2.419 6.581 1.00 0.00 C ATOM 849 C LEU A 54 -1.543 3.756 6.637 1.00 0.00 C ATOM 850 O LEU A 54 -0.907 4.804 6.760 1.00 0.00 O ATOM 851 CB LEU A 54 -0.934 1.872 5.150 1.00 0.00 C ATOM 852 CG LEU A 54 -0.122 0.623 4.843 1.00 0.00 C ATOM 853 CD1 LEU A 54 -0.414 0.137 3.432 1.00 0.00 C ATOM 854 CD2 LEU A 54 1.351 0.921 4.996 1.00 0.00 C ATOM 0 H LEU A 54 -1.755 0.607 7.116 1.00 0.00 H new ATOM 0 HA LEU A 54 0.208 2.538 6.854 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -1.981 1.659 4.934 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -0.621 2.659 4.464 1.00 0.00 H new ATOM 0 HG LEU A 54 -0.402 -0.162 5.545 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.174 -0.757 3.226 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -1.475 -0.097 3.340 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -0.151 0.917 2.717 1.00 0.00 H new ATOM 0 HD21 LEU A 54 1.929 0.023 4.775 1.00 0.00 H new ATOM 0 HD22 LEU A 54 1.635 1.715 4.305 1.00 0.00 H new ATOM 0 HD23 LEU A 54 1.553 1.240 6.018 1.00 0.00 H new ATOM 866 N ALA A 55 -2.858 3.697 6.593 1.00 0.00 N ATOM 867 CA ALA A 55 -3.701 4.871 6.649 1.00 0.00 C ATOM 868 C ALA A 55 -3.428 5.687 7.907 1.00 0.00 C ATOM 869 O ALA A 55 -3.345 6.906 7.851 1.00 0.00 O ATOM 870 CB ALA A 55 -5.150 4.458 6.595 1.00 0.00 C ATOM 0 H ALA A 55 -3.376 2.822 6.516 1.00 0.00 H new ATOM 0 HA ALA A 55 -3.473 5.501 5.789 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -5.783 5.344 6.637 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -5.341 3.920 5.666 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -5.376 3.810 7.442 1.00 0.00 H new ATOM 876 N VAL A 56 -3.217 5.001 9.016 1.00 0.00 N ATOM 877 CA VAL A 56 -2.969 5.654 10.288 1.00 0.00 C ATOM 878 C VAL A 56 -1.600 6.339 10.282 1.00 0.00 C ATOM 879 O VAL A 56 -1.440 7.450 10.804 1.00 0.00 O ATOM 880 CB VAL A 56 -3.078 4.651 11.483 1.00 0.00 C ATOM 881 CG1 VAL A 56 -2.721 5.316 12.801 1.00 0.00 C ATOM 882 CG2 VAL A 56 -4.485 4.077 11.571 1.00 0.00 C ATOM 0 H VAL A 56 -3.213 3.982 9.060 1.00 0.00 H new ATOM 0 HA VAL A 56 -3.739 6.413 10.425 1.00 0.00 H new ATOM 0 HB VAL A 56 -2.367 3.846 11.298 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -2.807 4.590 13.610 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -1.698 5.688 12.755 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -3.402 6.147 12.985 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -4.542 3.381 12.408 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -5.199 4.886 11.722 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -4.722 3.552 10.646 1.00 0.00 H new ATOM 892 N ILE A 57 -0.642 5.707 9.636 1.00 0.00 N ATOM 893 CA ILE A 57 0.723 6.221 9.567 1.00 0.00 C ATOM 894 C ILE A 57 0.772 7.513 8.742 1.00 0.00 C ATOM 895 O ILE A 57 1.549 8.426 9.042 1.00 0.00 O ATOM 896 CB ILE A 57 1.696 5.174 8.927 1.00 0.00 C ATOM 897 CG1 ILE A 57 1.591 3.837 9.657 1.00 0.00 C ATOM 898 CG2 ILE A 57 3.142 5.679 8.960 1.00 0.00 C ATOM 899 CD1 ILE A 57 2.456 2.736 9.076 1.00 0.00 C ATOM 0 H ILE A 57 -0.780 4.825 9.143 1.00 0.00 H new ATOM 0 HA ILE A 57 1.043 6.423 10.589 1.00 0.00 H new ATOM 0 HB ILE A 57 1.405 5.034 7.886 1.00 0.00 H new ATOM 0 HG12 ILE A 57 1.865 3.985 10.701 1.00 0.00 H new ATOM 0 HG13 ILE A 57 0.551 3.510 9.644 1.00 0.00 H new ATOM 0 HG21 ILE A 57 3.798 4.934 8.510 1.00 0.00 H new ATOM 0 HG22 ILE A 57 3.215 6.612 8.401 1.00 0.00 H new ATOM 0 HG23 ILE A 57 3.444 5.851 9.993 1.00 0.00 H new ATOM 0 HD11 ILE A 57 2.320 1.823 9.655 1.00 0.00 H new ATOM 0 HD12 ILE A 57 2.168 2.556 8.040 1.00 0.00 H new ATOM 0 HD13 ILE A 57 3.503 3.037 9.114 1.00 0.00 H new ATOM 911 N TYR A 58 -0.072 7.601 7.723 1.00 0.00 N ATOM 912 CA TYR A 58 -0.039 8.754 6.815 1.00 0.00 C ATOM 913 C TYR A 58 -1.158 9.730 7.137 1.00 0.00 C ATOM 914 O TYR A 58 -1.349 10.721 6.429 1.00 0.00 O ATOM 915 CB TYR A 58 -0.154 8.302 5.343 1.00 0.00 C ATOM 916 CG TYR A 58 0.704 7.105 4.992 1.00 0.00 C ATOM 917 CD1 TYR A 58 1.978 6.952 5.511 1.00 0.00 C ATOM 918 CD2 TYR A 58 0.206 6.098 4.188 1.00 0.00 C ATOM 919 CE1 TYR A 58 2.725 5.840 5.235 1.00 0.00 C ATOM 920 CE2 TYR A 58 0.951 4.974 3.916 1.00 0.00 C ATOM 921 CZ TYR A 58 2.210 4.856 4.446 1.00 0.00 C ATOM 922 OH TYR A 58 2.950 3.741 4.200 1.00 0.00 O ATOM 0 H TYR A 58 -0.781 6.902 7.501 1.00 0.00 H new ATOM 0 HA TYR A 58 0.919 9.255 6.956 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -1.196 8.064 5.128 1.00 0.00 H new ATOM 0 HB3 TYR A 58 0.122 9.135 4.696 1.00 0.00 H new ATOM 0 HD1 TYR A 58 2.389 7.724 6.145 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -0.784 6.195 3.766 1.00 0.00 H new ATOM 0 HE1 TYR A 58 3.721 5.742 5.642 1.00 0.00 H new ATOM 0 HE2 TYR A 58 0.548 4.191 3.290 1.00 0.00 H new ATOM 0 HH TYR A 58 3.155 3.291 5.046 1.00 0.00 H new ATOM 932 N ASP A 59 -1.903 9.430 8.207 1.00 0.00 N ATOM 933 CA ASP A 59 -3.023 10.253 8.683 1.00 0.00 C ATOM 934 C ASP A 59 -4.133 10.358 7.646 1.00 0.00 C ATOM 935 O ASP A 59 -4.838 11.364 7.567 1.00 0.00 O ATOM 936 CB ASP A 59 -2.558 11.649 9.126 1.00 0.00 C ATOM 937 CG ASP A 59 -1.676 11.613 10.345 1.00 0.00 C ATOM 938 OD1 ASP A 59 -2.206 11.429 11.466 1.00 0.00 O ATOM 939 OD2 ASP A 59 -0.435 11.771 10.218 1.00 0.00 O ATOM 0 H ASP A 59 -1.744 8.598 8.775 1.00 0.00 H new ATOM 0 HA ASP A 59 -3.432 9.745 9.556 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -2.018 12.123 8.307 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -3.431 12.268 9.333 1.00 0.00 H new ATOM 944 N GLN A 60 -4.328 9.292 6.913 1.00 0.00 N ATOM 945 CA GLN A 60 -5.328 9.240 5.873 1.00 0.00 C ATOM 946 C GLN A 60 -6.453 8.320 6.290 1.00 0.00 C ATOM 947 O GLN A 60 -6.316 7.537 7.233 1.00 0.00 O ATOM 948 CB GLN A 60 -4.737 8.715 4.561 1.00 0.00 C ATOM 949 CG GLN A 60 -3.636 9.567 3.966 1.00 0.00 C ATOM 950 CD GLN A 60 -3.131 9.007 2.648 1.00 0.00 C ATOM 951 OE1 GLN A 60 -3.868 8.382 1.897 1.00 0.00 O ATOM 952 NE2 GLN A 60 -1.881 9.236 2.358 1.00 0.00 N ATOM 0 H GLN A 60 -3.795 8.429 7.020 1.00 0.00 H new ATOM 0 HA GLN A 60 -5.698 10.253 5.718 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -4.346 7.712 4.732 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -5.540 8.624 3.830 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -4.006 10.581 3.811 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -2.808 9.634 4.672 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -1.295 9.761 3.007 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -1.489 8.891 1.482 1.00 0.00 H new ATOM 961 N SER A 61 -7.550 8.412 5.600 1.00 0.00 N ATOM 962 CA SER A 61 -8.651 7.519 5.811 1.00 0.00 C ATOM 963 C SER A 61 -8.324 6.202 5.115 1.00 0.00 C ATOM 964 O SER A 61 -7.838 6.226 3.987 1.00 0.00 O ATOM 965 CB SER A 61 -9.926 8.124 5.217 1.00 0.00 C ATOM 966 OG SER A 61 -11.020 7.223 5.285 1.00 0.00 O ATOM 0 H SER A 61 -7.708 9.110 4.873 1.00 0.00 H new ATOM 0 HA SER A 61 -8.812 7.353 6.876 1.00 0.00 H new ATOM 0 HB2 SER A 61 -10.176 9.040 5.752 1.00 0.00 H new ATOM 0 HB3 SER A 61 -9.747 8.400 4.178 1.00 0.00 H new ATOM 0 HG SER A 61 -11.816 7.645 4.898 1.00 0.00 H new ATOM 972 N PRO A 62 -8.556 5.040 5.772 1.00 0.00 N ATOM 973 CA PRO A 62 -8.296 3.719 5.178 1.00 0.00 C ATOM 974 C PRO A 62 -8.979 3.555 3.819 1.00 0.00 C ATOM 975 O PRO A 62 -8.398 2.998 2.881 1.00 0.00 O ATOM 976 CB PRO A 62 -8.881 2.740 6.198 1.00 0.00 C ATOM 977 CG PRO A 62 -8.839 3.471 7.490 1.00 0.00 C ATOM 978 CD PRO A 62 -9.061 4.923 7.158 1.00 0.00 C ATOM 0 HA PRO A 62 -7.235 3.560 4.986 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -9.901 2.458 5.936 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -8.297 1.821 6.244 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -9.609 3.105 8.170 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -7.880 3.328 7.988 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -10.115 5.194 7.226 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -8.519 5.578 7.840 1.00 0.00 H new ATOM 986 N SER A 63 -10.185 4.083 3.711 1.00 0.00 N ATOM 987 CA SER A 63 -10.948 4.032 2.485 1.00 0.00 C ATOM 988 C SER A 63 -10.233 4.828 1.364 1.00 0.00 C ATOM 989 O SER A 63 -10.098 4.352 0.235 1.00 0.00 O ATOM 990 CB SER A 63 -12.340 4.595 2.758 1.00 0.00 C ATOM 991 OG SER A 63 -12.945 3.905 3.854 1.00 0.00 O ATOM 0 H SER A 63 -10.661 4.560 4.476 1.00 0.00 H new ATOM 0 HA SER A 63 -11.035 3.001 2.143 1.00 0.00 H new ATOM 0 HB2 SER A 63 -12.272 5.660 2.982 1.00 0.00 H new ATOM 0 HB3 SER A 63 -12.962 4.495 1.868 1.00 0.00 H new ATOM 0 HG SER A 63 -13.837 4.275 4.022 1.00 0.00 H new ATOM 997 N VAL A 64 -9.713 5.992 1.718 1.00 0.00 N ATOM 998 CA VAL A 64 -9.042 6.868 0.762 1.00 0.00 C ATOM 999 C VAL A 64 -7.655 6.329 0.429 1.00 0.00 C ATOM 1000 O VAL A 64 -7.233 6.361 -0.724 1.00 0.00 O ATOM 1001 CB VAL A 64 -8.933 8.312 1.311 1.00 0.00 C ATOM 1002 CG1 VAL A 64 -8.234 9.233 0.317 1.00 0.00 C ATOM 1003 CG2 VAL A 64 -10.311 8.847 1.639 1.00 0.00 C ATOM 0 H VAL A 64 -9.742 6.358 2.670 1.00 0.00 H new ATOM 0 HA VAL A 64 -9.641 6.892 -0.148 1.00 0.00 H new ATOM 0 HB VAL A 64 -8.332 8.283 2.220 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -8.174 10.239 0.733 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -7.228 8.861 0.121 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -8.799 9.259 -0.615 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -10.225 9.863 2.024 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -10.924 8.852 0.737 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -10.778 8.212 2.392 1.00 0.00 H new ATOM 1013 N LEU A 65 -6.975 5.814 1.446 1.00 0.00 N ATOM 1014 CA LEU A 65 -5.651 5.223 1.307 1.00 0.00 C ATOM 1015 C LEU A 65 -5.708 4.097 0.271 1.00 0.00 C ATOM 1016 O LEU A 65 -4.841 4.000 -0.601 1.00 0.00 O ATOM 1017 CB LEU A 65 -5.162 4.738 2.708 1.00 0.00 C ATOM 1018 CG LEU A 65 -3.707 4.215 2.871 1.00 0.00 C ATOM 1019 CD1 LEU A 65 -3.516 2.821 2.301 1.00 0.00 C ATOM 1020 CD2 LEU A 65 -2.711 5.182 2.251 1.00 0.00 C ATOM 0 H LEU A 65 -7.332 5.795 2.401 1.00 0.00 H new ATOM 0 HA LEU A 65 -4.928 5.954 0.946 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -5.291 5.567 3.404 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -5.833 3.942 3.031 1.00 0.00 H new ATOM 0 HG LEU A 65 -3.520 4.150 3.943 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -2.482 2.508 2.443 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -4.179 2.124 2.813 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -3.750 2.828 1.236 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -1.700 4.794 2.378 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -2.926 5.294 1.188 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -2.792 6.152 2.742 1.00 0.00 H new ATOM 1032 N THR A 66 -6.770 3.298 0.342 1.00 0.00 N ATOM 1033 CA THR A 66 -7.002 2.227 -0.606 1.00 0.00 C ATOM 1034 C THR A 66 -7.070 2.797 -2.031 1.00 0.00 C ATOM 1035 O THR A 66 -6.350 2.343 -2.929 1.00 0.00 O ATOM 1036 CB THR A 66 -8.333 1.497 -0.283 1.00 0.00 C ATOM 1037 OG1 THR A 66 -8.306 1.025 1.067 1.00 0.00 O ATOM 1038 CG2 THR A 66 -8.558 0.314 -1.218 1.00 0.00 C ATOM 0 H THR A 66 -7.490 3.380 1.060 1.00 0.00 H new ATOM 0 HA THR A 66 -6.178 1.517 -0.534 1.00 0.00 H new ATOM 0 HB THR A 66 -9.148 2.208 -0.420 1.00 0.00 H new ATOM 0 HG1 THR A 66 -8.500 1.767 1.677 1.00 0.00 H new ATOM 0 HG21 THR A 66 -9.498 -0.176 -0.965 1.00 0.00 H new ATOM 0 HG22 THR A 66 -8.598 0.667 -2.248 1.00 0.00 H new ATOM 0 HG23 THR A 66 -7.738 -0.396 -1.110 1.00 0.00 H new ATOM 1046 N GLU A 67 -7.879 3.840 -2.203 1.00 0.00 N ATOM 1047 CA GLU A 67 -8.070 4.452 -3.497 1.00 0.00 C ATOM 1048 C GLU A 67 -6.781 5.085 -4.009 1.00 0.00 C ATOM 1049 O GLU A 67 -6.463 4.943 -5.169 1.00 0.00 O ATOM 1050 CB GLU A 67 -9.218 5.460 -3.477 1.00 0.00 C ATOM 1051 CG GLU A 67 -10.560 4.845 -3.098 1.00 0.00 C ATOM 1052 CD GLU A 67 -11.696 5.827 -3.199 1.00 0.00 C ATOM 1053 OE1 GLU A 67 -11.892 6.633 -2.282 1.00 0.00 O ATOM 1054 OE2 GLU A 67 -12.408 5.828 -4.216 1.00 0.00 O ATOM 0 H GLU A 67 -8.412 4.275 -1.450 1.00 0.00 H new ATOM 0 HA GLU A 67 -8.345 3.660 -4.194 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -8.980 6.256 -2.772 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -9.303 5.921 -4.461 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -10.762 3.994 -3.748 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -10.505 4.462 -2.079 1.00 0.00 H new ATOM 1061 N GLN A 68 -6.022 5.735 -3.122 1.00 0.00 N ATOM 1062 CA GLN A 68 -4.748 6.358 -3.478 1.00 0.00 C ATOM 1063 C GLN A 68 -3.787 5.341 -4.088 1.00 0.00 C ATOM 1064 O GLN A 68 -3.214 5.580 -5.152 1.00 0.00 O ATOM 1065 CB GLN A 68 -4.106 7.032 -2.258 1.00 0.00 C ATOM 1066 CG GLN A 68 -4.776 8.328 -1.780 1.00 0.00 C ATOM 1067 CD GLN A 68 -4.436 9.594 -2.600 1.00 0.00 C ATOM 1068 OE1 GLN A 68 -4.091 9.456 -3.860 1.00 0.00 O flip ATOM 1069 NE2 GLN A 68 -4.446 10.705 -2.063 1.00 0.00 N flip ATOM 0 H GLN A 68 -6.274 5.843 -2.140 1.00 0.00 H new ATOM 0 HA GLN A 68 -4.955 7.123 -4.226 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -4.105 6.320 -1.432 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -3.064 7.249 -2.493 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -5.856 8.185 -1.796 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -4.493 8.502 -0.742 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -4.716 10.796 -1.084 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -4.184 11.533 -2.598 1.00 0.00 H new ATOM 1078 N LEU A 69 -3.649 4.202 -3.430 1.00 0.00 N ATOM 1079 CA LEU A 69 -2.809 3.110 -3.918 1.00 0.00 C ATOM 1080 C LEU A 69 -3.282 2.616 -5.290 1.00 0.00 C ATOM 1081 O LEU A 69 -2.468 2.239 -6.148 1.00 0.00 O ATOM 1082 CB LEU A 69 -2.791 1.950 -2.911 1.00 0.00 C ATOM 1083 CG LEU A 69 -1.744 1.976 -1.777 1.00 0.00 C ATOM 1084 CD1 LEU A 69 -0.351 1.755 -2.333 1.00 0.00 C ATOM 1085 CD2 LEU A 69 -1.784 3.275 -0.990 1.00 0.00 C ATOM 0 H LEU A 69 -4.113 4.004 -2.544 1.00 0.00 H new ATOM 0 HA LEU A 69 -1.795 3.494 -4.028 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -3.777 1.895 -2.450 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.650 1.026 -3.472 1.00 0.00 H new ATOM 0 HG LEU A 69 -1.995 1.165 -1.094 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.373 1.777 -1.519 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.308 0.787 -2.832 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.116 2.543 -3.049 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -1.030 3.247 -0.203 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -1.580 4.112 -1.658 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.770 3.399 -0.543 1.00 0.00 H new ATOM 1097 N ILE A 70 -4.581 2.627 -5.492 1.00 0.00 N ATOM 1098 CA ILE A 70 -5.177 2.223 -6.755 1.00 0.00 C ATOM 1099 C ILE A 70 -4.926 3.294 -7.832 1.00 0.00 C ATOM 1100 O ILE A 70 -4.638 2.969 -8.982 1.00 0.00 O ATOM 1101 CB ILE A 70 -6.702 1.942 -6.589 1.00 0.00 C ATOM 1102 CG1 ILE A 70 -6.914 0.786 -5.603 1.00 0.00 C ATOM 1103 CG2 ILE A 70 -7.364 1.627 -7.934 1.00 0.00 C ATOM 1104 CD1 ILE A 70 -8.362 0.523 -5.262 1.00 0.00 C ATOM 0 H ILE A 70 -5.259 2.916 -4.787 1.00 0.00 H new ATOM 0 HA ILE A 70 -4.704 1.295 -7.077 1.00 0.00 H new ATOM 0 HB ILE A 70 -7.173 2.842 -6.194 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -6.481 -0.121 -6.025 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -6.369 1.002 -4.684 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -8.426 1.436 -7.781 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -7.241 2.475 -8.608 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -6.897 0.745 -8.372 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -8.425 -0.309 -4.560 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -8.797 1.414 -4.809 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -8.910 0.274 -6.170 1.00 0.00 H new ATOM 1116 N SER A 71 -4.990 4.555 -7.438 1.00 0.00 N ATOM 1117 CA SER A 71 -4.754 5.679 -8.337 1.00 0.00 C ATOM 1118 C SER A 71 -3.318 5.676 -8.874 1.00 0.00 C ATOM 1119 O SER A 71 -3.080 5.994 -10.041 1.00 0.00 O ATOM 1120 CB SER A 71 -5.047 6.986 -7.608 1.00 0.00 C ATOM 1121 OG SER A 71 -6.364 6.971 -7.065 1.00 0.00 O ATOM 0 H SER A 71 -5.208 4.832 -6.481 1.00 0.00 H new ATOM 0 HA SER A 71 -5.423 5.582 -9.192 1.00 0.00 H new ATOM 0 HB2 SER A 71 -4.320 7.135 -6.810 1.00 0.00 H new ATOM 0 HB3 SER A 71 -4.941 7.825 -8.296 1.00 0.00 H new ATOM 0 HG SER A 71 -6.402 6.340 -6.316 1.00 0.00 H new ATOM 1127 N TRP A 72 -2.371 5.281 -8.030 1.00 0.00 N ATOM 1128 CA TRP A 72 -0.966 5.215 -8.441 1.00 0.00 C ATOM 1129 C TRP A 72 -0.731 3.974 -9.297 1.00 0.00 C ATOM 1130 O TRP A 72 0.301 3.830 -9.951 1.00 0.00 O ATOM 1131 CB TRP A 72 -0.033 5.159 -7.229 1.00 0.00 C ATOM 1132 CG TRP A 72 -0.217 6.256 -6.226 1.00 0.00 C ATOM 1133 CD1 TRP A 72 -0.638 7.528 -6.455 1.00 0.00 C ATOM 1134 CD2 TRP A 72 0.047 6.167 -4.825 1.00 0.00 C ATOM 1135 NE1 TRP A 72 -0.678 8.225 -5.276 1.00 0.00 N ATOM 1136 CE2 TRP A 72 -0.259 7.416 -4.261 1.00 0.00 C ATOM 1137 CE3 TRP A 72 0.503 5.146 -3.997 1.00 0.00 C ATOM 1138 CZ2 TRP A 72 -0.122 7.674 -2.899 1.00 0.00 C ATOM 1139 CZ3 TRP A 72 0.644 5.401 -2.647 1.00 0.00 C ATOM 1140 CH2 TRP A 72 0.331 6.653 -2.108 1.00 0.00 C ATOM 0 H TRP A 72 -2.544 5.003 -7.064 1.00 0.00 H new ATOM 0 HA TRP A 72 -0.747 6.116 -9.014 1.00 0.00 H new ATOM 0 HB2 TRP A 72 -0.175 4.202 -6.726 1.00 0.00 H new ATOM 0 HB3 TRP A 72 0.997 5.183 -7.584 1.00 0.00 H new ATOM 0 HD1 TRP A 72 -0.902 7.930 -7.422 1.00 0.00 H new ATOM 0 HE1 TRP A 72 -0.974 9.196 -5.174 1.00 0.00 H new ATOM 0 HE3 TRP A 72 0.742 4.174 -4.402 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 -0.364 8.641 -2.484 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 1.003 4.618 -1.995 1.00 0.00 H new ATOM 0 HH2 TRP A 72 0.449 6.817 -1.047 1.00 0.00 H new ATOM 1151 N GLY A 73 -1.702 3.079 -9.285 1.00 0.00 N ATOM 1152 CA GLY A 73 -1.598 1.849 -10.030 1.00 0.00 C ATOM 1153 C GLY A 73 -0.737 0.853 -9.306 1.00 0.00 C ATOM 1154 O GLY A 73 -0.061 0.035 -9.915 1.00 0.00 O ATOM 0 H GLY A 73 -2.572 3.187 -8.764 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -2.592 1.430 -10.187 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -1.177 2.051 -11.015 1.00 0.00 H new ATOM 1158 N VAL A 74 -0.742 0.941 -8.001 1.00 0.00 N ATOM 1159 CA VAL A 74 0.050 0.060 -7.181 1.00 0.00 C ATOM 1160 C VAL A 74 -0.828 -1.073 -6.656 1.00 0.00 C ATOM 1161 O VAL A 74 -0.481 -2.252 -6.764 1.00 0.00 O ATOM 1162 CB VAL A 74 0.708 0.824 -5.995 1.00 0.00 C ATOM 1163 CG1 VAL A 74 1.544 -0.114 -5.151 1.00 0.00 C ATOM 1164 CG2 VAL A 74 1.577 1.960 -6.506 1.00 0.00 C ATOM 0 H VAL A 74 -1.293 1.622 -7.478 1.00 0.00 H new ATOM 0 HA VAL A 74 0.852 -0.351 -7.794 1.00 0.00 H new ATOM 0 HB VAL A 74 -0.091 1.237 -5.379 1.00 0.00 H new ATOM 0 HG11 VAL A 74 1.994 0.441 -4.328 1.00 0.00 H new ATOM 0 HG12 VAL A 74 0.911 -0.906 -4.751 1.00 0.00 H new ATOM 0 HG13 VAL A 74 2.330 -0.554 -5.765 1.00 0.00 H new ATOM 0 HG21 VAL A 74 2.028 2.481 -5.662 1.00 0.00 H new ATOM 0 HG22 VAL A 74 2.363 1.558 -7.145 1.00 0.00 H new ATOM 0 HG23 VAL A 74 0.965 2.657 -7.078 1.00 0.00 H new ATOM 1174 N LEU A 75 -1.964 -0.720 -6.126 1.00 0.00 N ATOM 1175 CA LEU A 75 -2.883 -1.697 -5.582 1.00 0.00 C ATOM 1176 C LEU A 75 -3.914 -2.037 -6.639 1.00 0.00 C ATOM 1177 O LEU A 75 -4.299 -1.169 -7.433 1.00 0.00 O ATOM 1178 CB LEU A 75 -3.548 -1.127 -4.323 1.00 0.00 C ATOM 1179 CG LEU A 75 -4.556 -2.006 -3.575 1.00 0.00 C ATOM 1180 CD1 LEU A 75 -3.898 -3.279 -3.064 1.00 0.00 C ATOM 1181 CD2 LEU A 75 -5.164 -1.226 -2.418 1.00 0.00 C ATOM 0 H LEU A 75 -2.284 0.246 -6.056 1.00 0.00 H new ATOM 0 HA LEU A 75 -2.353 -2.607 -5.302 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -2.758 -0.857 -3.623 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -4.055 -0.204 -4.603 1.00 0.00 H new ATOM 0 HG LEU A 75 -5.346 -2.291 -4.270 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -4.636 -3.884 -2.537 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -3.499 -3.845 -3.905 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -3.087 -3.021 -2.383 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -5.880 -1.856 -1.890 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -4.375 -0.920 -1.731 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -5.673 -0.342 -2.803 1.00 0.00 H new ATOM 1193 N ASP A 76 -4.319 -3.290 -6.681 1.00 0.00 N ATOM 1194 CA ASP A 76 -5.312 -3.743 -7.648 1.00 0.00 C ATOM 1195 C ASP A 76 -6.663 -3.096 -7.349 1.00 0.00 C ATOM 1196 O ASP A 76 -7.052 -2.966 -6.177 1.00 0.00 O ATOM 1197 CB ASP A 76 -5.409 -5.276 -7.667 1.00 0.00 C ATOM 1198 CG ASP A 76 -6.366 -5.795 -8.723 1.00 0.00 C ATOM 1199 OD1 ASP A 76 -6.302 -5.345 -9.877 1.00 0.00 O ATOM 1200 OD2 ASP A 76 -7.169 -6.694 -8.434 1.00 0.00 O ATOM 0 H ASP A 76 -3.977 -4.020 -6.056 1.00 0.00 H new ATOM 0 HA ASP A 76 -4.998 -3.433 -8.645 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -4.419 -5.695 -7.844 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -5.733 -5.626 -6.687 1.00 0.00 H new ATOM 1205 N ALA A 77 -7.363 -2.696 -8.405 1.00 0.00 N ATOM 1206 CA ALA A 77 -8.597 -1.919 -8.321 1.00 0.00 C ATOM 1207 C ALA A 77 -9.653 -2.567 -7.455 1.00 0.00 C ATOM 1208 O ALA A 77 -10.272 -1.897 -6.662 1.00 0.00 O ATOM 1209 CB ALA A 77 -9.146 -1.615 -9.707 1.00 0.00 C ATOM 0 H ALA A 77 -7.084 -2.906 -9.363 1.00 0.00 H new ATOM 0 HA ALA A 77 -8.332 -0.981 -7.833 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -10.065 -1.036 -9.615 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -8.411 -1.042 -10.272 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -9.356 -2.549 -10.228 1.00 0.00 H new ATOM 1215 N ASP A 78 -9.813 -3.872 -7.583 1.00 0.00 N ATOM 1216 CA ASP A 78 -10.813 -4.671 -6.817 1.00 0.00 C ATOM 1217 C ASP A 78 -10.842 -4.394 -5.317 1.00 0.00 C ATOM 1218 O ASP A 78 -11.884 -4.554 -4.675 1.00 0.00 O ATOM 1219 CB ASP A 78 -10.646 -6.166 -7.058 1.00 0.00 C ATOM 1220 CG ASP A 78 -11.369 -6.658 -8.284 1.00 0.00 C ATOM 1221 OD1 ASP A 78 -10.801 -6.645 -9.392 1.00 0.00 O ATOM 1222 OD2 ASP A 78 -12.522 -7.093 -8.164 1.00 0.00 O ATOM 0 H ASP A 78 -9.255 -4.435 -8.225 1.00 0.00 H new ATOM 0 HA ASP A 78 -11.773 -4.338 -7.210 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -9.585 -6.395 -7.155 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -11.011 -6.710 -6.187 1.00 0.00 H new ATOM 1227 N ALA A 79 -9.727 -3.935 -4.767 1.00 0.00 N ATOM 1228 CA ALA A 79 -9.631 -3.611 -3.351 1.00 0.00 C ATOM 1229 C ALA A 79 -10.652 -2.532 -2.947 1.00 0.00 C ATOM 1230 O ALA A 79 -11.172 -2.555 -1.832 1.00 0.00 O ATOM 1231 CB ALA A 79 -8.226 -3.160 -3.013 1.00 0.00 C ATOM 0 H ALA A 79 -8.865 -3.777 -5.289 1.00 0.00 H new ATOM 0 HA ALA A 79 -9.862 -4.513 -2.785 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -8.166 -2.920 -1.951 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -7.522 -3.959 -3.245 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -7.977 -2.275 -3.599 1.00 0.00 H new ATOM 1237 N ARG A 80 -10.978 -1.635 -3.889 1.00 0.00 N ATOM 1238 CA ARG A 80 -11.938 -0.543 -3.648 1.00 0.00 C ATOM 1239 C ARG A 80 -13.315 -1.120 -3.349 1.00 0.00 C ATOM 1240 O ARG A 80 -14.070 -0.575 -2.554 1.00 0.00 O ATOM 1241 CB ARG A 80 -12.012 0.413 -4.882 1.00 0.00 C ATOM 1242 CG ARG A 80 -12.598 -0.228 -6.151 1.00 0.00 C ATOM 1243 CD ARG A 80 -12.367 0.604 -7.409 1.00 0.00 C ATOM 1244 NE ARG A 80 -13.067 1.894 -7.371 1.00 0.00 N ATOM 1245 CZ ARG A 80 -13.618 2.518 -8.430 1.00 0.00 C ATOM 1246 NH1 ARG A 80 -13.559 1.983 -9.643 1.00 0.00 N ATOM 1247 NH2 ARG A 80 -14.222 3.688 -8.256 1.00 0.00 N ATOM 0 H ARG A 80 -10.589 -1.643 -4.832 1.00 0.00 H new ATOM 0 HA ARG A 80 -11.597 0.034 -2.789 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -12.615 1.281 -4.617 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -11.009 0.777 -5.104 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -12.155 -1.214 -6.289 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -13.669 -0.376 -6.013 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -11.298 0.779 -7.533 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -12.701 0.039 -8.280 1.00 0.00 H new ATOM 0 HE ARG A 80 -13.143 2.357 -6.465 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -13.092 1.087 -9.783 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -13.981 2.468 -10.435 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -14.266 4.106 -7.327 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -14.642 4.168 -9.052 1.00 0.00 H new ATOM 1261 N ARG A 81 -13.625 -2.231 -4.004 1.00 0.00 N ATOM 1262 CA ARG A 81 -14.899 -2.868 -3.844 1.00 0.00 C ATOM 1263 C ARG A 81 -14.873 -3.804 -2.642 1.00 0.00 C ATOM 1264 O ARG A 81 -15.901 -4.042 -2.001 1.00 0.00 O ATOM 1265 CB ARG A 81 -15.297 -3.609 -5.117 1.00 0.00 C ATOM 1266 CG ARG A 81 -16.754 -4.034 -5.145 1.00 0.00 C ATOM 1267 CD ARG A 81 -17.652 -2.811 -5.042 1.00 0.00 C ATOM 1268 NE ARG A 81 -19.065 -3.136 -5.131 1.00 0.00 N ATOM 1269 CZ ARG A 81 -20.041 -2.416 -4.585 1.00 0.00 C ATOM 1270 NH1 ARG A 81 -19.753 -1.353 -3.831 1.00 0.00 N ATOM 1271 NH2 ARG A 81 -21.306 -2.747 -4.806 1.00 0.00 N ATOM 0 H ARG A 81 -12.996 -2.703 -4.654 1.00 0.00 H new ATOM 0 HA ARG A 81 -15.653 -2.102 -3.660 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -15.098 -2.969 -5.977 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -14.668 -4.493 -5.224 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -16.966 -4.575 -6.067 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -16.959 -4.717 -4.320 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -17.460 -2.305 -4.096 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -17.395 -2.110 -5.836 1.00 0.00 H new ATOM 0 HE ARG A 81 -19.327 -3.975 -5.648 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -18.781 -1.089 -3.671 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -20.505 -0.804 -3.415 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -21.528 -3.551 -5.393 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -22.057 -2.197 -4.389 1.00 0.00 H new