USER MOD reduce.3.24.130724 H: found=0, std=0, add=427, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 428 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 23 ASN : amide:sc= -2.12 K(o=-16,f=-20!) USER MOD Set 1.2: A 26 GLN : amide:sc= -2.77! C(o=-16!,f=-29!) USER MOD Set 1.3: A 55 GLN : amide:sc= -10.7! C(o=-16!,f=-23!) USER MOD Set 2.1: A 21 ASN : amide:sc= 0.141 K(o=-3.3,f=-6.8) USER MOD Set 2.2: A 52 ASN : amide:sc= -3.46! C(o=-3.3!,f=-12!) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 ASN : amide:sc= 0.0256 K(o=0.026,f=-2.1) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 MET CE :methyl 174:sc= -10.4! (180deg=-11.1!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -0.614 K(o=-0.61,f=-5!) USER MOD Single : A 33 SER OG : rot 65:sc= 0.721 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= -0.141 K(o=-0.14,f=-0.78) USER MOD Single : A 41 SER OG : rot 130:sc= -0.762 USER MOD Single : A 43 ASN : amide:sc= -0.182 X(o=-0.18,f=-0.014) USER MOD Single : A 49 LYS NZ :NH3+ -166:sc= -2.16! (180deg=-2.74!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 45 N LYS A 4 -0.575 -13.149 9.095 1.00 0.00 N ATOM 46 CA LYS A 4 0.529 -12.726 8.228 1.00 0.00 C ATOM 47 C LYS A 4 0.257 -11.350 7.640 1.00 0.00 C ATOM 48 O LYS A 4 1.098 -10.780 6.939 1.00 0.00 O ATOM 49 CB LYS A 4 0.746 -13.729 7.087 1.00 0.00 C ATOM 50 CG LYS A 4 0.899 -15.158 7.639 1.00 0.00 C ATOM 51 CD LYS A 4 2.166 -15.261 8.502 1.00 0.00 C ATOM 52 CE LYS A 4 2.423 -16.725 8.874 1.00 0.00 C ATOM 53 NZ LYS A 4 3.615 -16.807 9.764 1.00 0.00 N ATOM 0 HA LYS A 4 1.429 -12.683 8.841 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -0.096 -13.689 6.396 1.00 0.00 H new ATOM 0 HB3 LYS A 4 1.636 -13.456 6.520 1.00 0.00 H new ATOM 0 HG2 LYS A 4 0.024 -15.422 8.232 1.00 0.00 H new ATOM 0 HG3 LYS A 4 0.952 -15.870 6.815 1.00 0.00 H new ATOM 0 HD2 LYS A 4 3.021 -14.859 7.958 1.00 0.00 H new ATOM 0 HD3 LYS A 4 2.052 -14.661 9.405 1.00 0.00 H new ATOM 0 HE2 LYS A 4 1.551 -17.143 9.377 1.00 0.00 H new ATOM 0 HE3 LYS A 4 2.586 -17.317 7.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 3.791 -17.800 10.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 4.445 -16.424 9.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 3.442 -16.255 10.628 1.00 0.00 H new ATOM 67 N PHE A 5 -0.930 -10.834 7.928 1.00 0.00 N ATOM 68 CA PHE A 5 -1.348 -9.537 7.431 1.00 0.00 C ATOM 69 C PHE A 5 -0.382 -8.437 7.807 1.00 0.00 C ATOM 70 O PHE A 5 0.091 -7.710 6.947 1.00 0.00 O ATOM 71 CB PHE A 5 -2.669 -9.157 8.082 1.00 0.00 C ATOM 72 CG PHE A 5 -3.842 -9.764 7.365 1.00 0.00 C ATOM 73 CD1 PHE A 5 -3.848 -11.128 7.034 1.00 0.00 C ATOM 74 CD2 PHE A 5 -4.937 -8.952 7.043 1.00 0.00 C ATOM 75 CE1 PHE A 5 -4.959 -11.670 6.372 1.00 0.00 C ATOM 76 CE2 PHE A 5 -6.039 -9.492 6.386 1.00 0.00 C ATOM 77 CZ PHE A 5 -6.054 -10.846 6.048 1.00 0.00 C ATOM 0 H PHE A 5 -1.625 -11.302 8.510 1.00 0.00 H new ATOM 0 HA PHE A 5 -1.411 -9.626 6.346 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -2.669 -9.485 9.121 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -2.771 -8.072 8.091 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -3.005 -11.754 7.287 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -4.926 -7.904 7.305 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -4.975 -12.718 6.111 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -6.882 -8.864 6.138 1.00 0.00 H new ATOM 0 HZ PHE A 5 -6.909 -11.263 5.536 1.00 0.00 H new ATOM 87 N ASN A 6 -0.143 -8.292 9.108 1.00 0.00 N ATOM 88 CA ASN A 6 0.712 -7.223 9.594 1.00 0.00 C ATOM 89 C ASN A 6 2.077 -7.251 8.943 1.00 0.00 C ATOM 90 O ASN A 6 2.535 -6.230 8.464 1.00 0.00 O ATOM 91 CB ASN A 6 0.877 -7.332 11.105 1.00 0.00 C ATOM 92 CG ASN A 6 -0.462 -7.114 11.817 1.00 0.00 C ATOM 93 OD1 ASN A 6 -1.425 -6.632 11.215 1.00 0.00 O ATOM 94 ND2 ASN A 6 -0.578 -7.436 13.074 1.00 0.00 N ATOM 0 H ASN A 6 -0.527 -8.896 9.835 1.00 0.00 H new ATOM 0 HA ASN A 6 0.230 -6.280 9.335 1.00 0.00 H new ATOM 0 HB2 ASN A 6 1.275 -8.314 11.362 1.00 0.00 H new ATOM 0 HB3 ASN A 6 1.602 -6.594 11.450 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -1.464 -7.289 13.558 1.00 0.00 H new ATOM 0 HD22 ASN A 6 0.217 -7.835 13.574 1.00 0.00 H new ATOM 101 N LYS A 7 2.708 -8.419 8.897 1.00 0.00 N ATOM 102 CA LYS A 7 4.021 -8.525 8.278 1.00 0.00 C ATOM 103 C LYS A 7 3.957 -8.132 6.811 1.00 0.00 C ATOM 104 O LYS A 7 4.810 -7.393 6.327 1.00 0.00 O ATOM 105 CB LYS A 7 4.556 -9.953 8.434 1.00 0.00 C ATOM 106 CG LYS A 7 5.807 -10.188 7.555 1.00 0.00 C ATOM 107 CD LYS A 7 6.912 -9.161 7.865 1.00 0.00 C ATOM 108 CE LYS A 7 7.596 -9.509 9.186 1.00 0.00 C ATOM 109 NZ LYS A 7 8.319 -8.312 9.700 1.00 0.00 N ATOM 0 H LYS A 7 2.338 -9.291 9.274 1.00 0.00 H new ATOM 0 HA LYS A 7 4.702 -7.838 8.779 1.00 0.00 H new ATOM 0 HB2 LYS A 7 4.804 -10.138 9.479 1.00 0.00 H new ATOM 0 HB3 LYS A 7 3.778 -10.666 8.160 1.00 0.00 H new ATOM 0 HG2 LYS A 7 6.187 -11.196 7.723 1.00 0.00 H new ATOM 0 HG3 LYS A 7 5.532 -10.122 6.502 1.00 0.00 H new ATOM 0 HD2 LYS A 7 7.645 -9.150 7.059 1.00 0.00 H new ATOM 0 HD3 LYS A 7 6.484 -8.160 7.921 1.00 0.00 H new ATOM 0 HE2 LYS A 7 6.856 -9.841 9.915 1.00 0.00 H new ATOM 0 HE3 LYS A 7 8.293 -10.334 9.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 8.785 -8.548 10.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 9.035 -8.014 9.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 7.642 -7.537 9.853 1.00 0.00 H new ATOM 123 N GLU A 8 2.929 -8.603 6.119 1.00 0.00 N ATOM 124 CA GLU A 8 2.760 -8.277 4.713 1.00 0.00 C ATOM 125 C GLU A 8 2.424 -6.796 4.572 1.00 0.00 C ATOM 126 O GLU A 8 2.838 -6.135 3.621 1.00 0.00 O ATOM 127 CB GLU A 8 1.645 -9.162 4.147 1.00 0.00 C ATOM 128 CG GLU A 8 1.543 -8.991 2.630 1.00 0.00 C ATOM 129 CD GLU A 8 1.241 -10.331 1.944 1.00 0.00 C ATOM 130 OE1 GLU A 8 0.423 -11.080 2.458 1.00 0.00 O ATOM 131 OE2 GLU A 8 1.817 -10.577 0.897 1.00 0.00 O ATOM 0 H GLU A 8 2.205 -9.208 6.506 1.00 0.00 H new ATOM 0 HA GLU A 8 3.678 -8.463 4.155 1.00 0.00 H new ATOM 0 HB2 GLU A 8 1.843 -10.206 4.389 1.00 0.00 H new ATOM 0 HB3 GLU A 8 0.694 -8.902 4.613 1.00 0.00 H new ATOM 0 HG2 GLU A 8 0.758 -8.272 2.393 1.00 0.00 H new ATOM 0 HG3 GLU A 8 2.477 -8.583 2.243 1.00 0.00 H new ATOM 138 N ARG A 9 1.674 -6.303 5.551 1.00 0.00 N ATOM 139 CA ARG A 9 1.247 -4.923 5.611 1.00 0.00 C ATOM 140 C ARG A 9 2.371 -3.982 6.023 1.00 0.00 C ATOM 141 O ARG A 9 2.393 -2.862 5.570 1.00 0.00 O ATOM 142 CB ARG A 9 0.064 -4.782 6.576 1.00 0.00 C ATOM 143 CG ARG A 9 -1.196 -5.353 5.914 1.00 0.00 C ATOM 144 CD ARG A 9 -2.303 -5.551 6.951 1.00 0.00 C ATOM 145 NE ARG A 9 -2.800 -4.259 7.416 1.00 0.00 N ATOM 146 CZ ARG A 9 -3.630 -4.171 8.449 1.00 0.00 C ATOM 147 NH1 ARG A 9 -3.309 -4.708 9.594 1.00 0.00 N ATOM 148 NH2 ARG A 9 -4.765 -3.546 8.319 1.00 0.00 N ATOM 0 H ARG A 9 1.344 -6.866 6.335 1.00 0.00 H new ATOM 0 HA ARG A 9 0.940 -4.636 4.605 1.00 0.00 H new ATOM 0 HB2 ARG A 9 0.273 -5.311 7.506 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -0.089 -3.734 6.833 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -1.540 -4.678 5.130 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -0.963 -6.304 5.436 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -3.120 -6.127 6.516 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -1.922 -6.126 7.795 1.00 0.00 H new ATOM 0 HE ARG A 9 -2.504 -3.408 6.938 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -2.419 -5.196 9.697 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -3.948 -4.639 10.386 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -5.016 -3.125 7.425 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -5.403 -3.478 9.112 1.00 0.00 H new ATOM 162 N VAL A 10 3.286 -4.428 6.894 1.00 0.00 N ATOM 163 CA VAL A 10 4.390 -3.561 7.350 1.00 0.00 C ATOM 164 C VAL A 10 5.255 -3.236 6.169 1.00 0.00 C ATOM 165 O VAL A 10 5.633 -2.091 5.911 1.00 0.00 O ATOM 166 CB VAL A 10 5.323 -4.241 8.371 1.00 0.00 C ATOM 167 CG1 VAL A 10 6.350 -3.208 8.878 1.00 0.00 C ATOM 168 CG2 VAL A 10 4.549 -4.820 9.557 1.00 0.00 C ATOM 0 H VAL A 10 3.289 -5.367 7.293 1.00 0.00 H new ATOM 0 HA VAL A 10 3.925 -2.692 7.815 1.00 0.00 H new ATOM 0 HB VAL A 10 5.826 -5.069 7.872 1.00 0.00 H new ATOM 0 HG11 VAL A 10 7.015 -3.681 9.601 1.00 0.00 H new ATOM 0 HG12 VAL A 10 6.935 -2.834 8.038 1.00 0.00 H new ATOM 0 HG13 VAL A 10 5.827 -2.378 9.354 1.00 0.00 H new ATOM 0 HG21 VAL A 10 5.245 -5.290 10.252 1.00 0.00 H new ATOM 0 HG22 VAL A 10 4.012 -4.020 10.067 1.00 0.00 H new ATOM 0 HG23 VAL A 10 3.837 -5.564 9.199 1.00 0.00 H new ATOM 178 N ILE A 11 5.575 -4.296 5.475 1.00 0.00 N ATOM 179 CA ILE A 11 6.403 -4.222 4.317 1.00 0.00 C ATOM 180 C ILE A 11 5.723 -3.357 3.274 1.00 0.00 C ATOM 181 O ILE A 11 6.326 -2.459 2.704 1.00 0.00 O ATOM 182 CB ILE A 11 6.593 -5.649 3.802 1.00 0.00 C ATOM 183 CG1 ILE A 11 7.292 -6.494 4.891 1.00 0.00 C ATOM 184 CG2 ILE A 11 7.426 -5.640 2.522 1.00 0.00 C ATOM 185 CD1 ILE A 11 7.216 -7.980 4.520 1.00 0.00 C ATOM 0 H ILE A 11 5.262 -5.239 5.705 1.00 0.00 H new ATOM 0 HA ILE A 11 7.372 -3.778 4.544 1.00 0.00 H new ATOM 0 HB ILE A 11 5.620 -6.086 3.576 1.00 0.00 H new ATOM 0 HG12 ILE A 11 8.333 -6.187 4.991 1.00 0.00 H new ATOM 0 HG13 ILE A 11 6.816 -6.326 5.857 1.00 0.00 H new ATOM 0 HG21 ILE A 11 7.555 -6.662 2.165 1.00 0.00 H new ATOM 0 HG22 ILE A 11 6.916 -5.051 1.760 1.00 0.00 H new ATOM 0 HG23 ILE A 11 8.403 -5.201 2.727 1.00 0.00 H new ATOM 0 HD11 ILE A 11 7.710 -8.573 5.290 1.00 0.00 H new ATOM 0 HD12 ILE A 11 6.172 -8.283 4.443 1.00 0.00 H new ATOM 0 HD13 ILE A 11 7.712 -8.142 3.563 1.00 0.00 H new ATOM 197 N ALA A 12 4.455 -3.660 3.050 1.00 0.00 N ATOM 198 CA ALA A 12 3.645 -2.958 2.070 1.00 0.00 C ATOM 199 C ALA A 12 3.303 -1.530 2.469 1.00 0.00 C ATOM 200 O ALA A 12 3.453 -0.616 1.664 1.00 0.00 O ATOM 201 CB ALA A 12 2.372 -3.737 1.898 1.00 0.00 C ATOM 0 H ALA A 12 3.958 -4.401 3.544 1.00 0.00 H new ATOM 0 HA ALA A 12 4.222 -2.887 1.148 1.00 0.00 H new ATOM 0 HB1 ALA A 12 1.736 -3.238 1.167 1.00 0.00 H new ATOM 0 HB2 ALA A 12 2.605 -4.743 1.550 1.00 0.00 H new ATOM 0 HB3 ALA A 12 1.850 -3.796 2.853 1.00 0.00 H new ATOM 207 N ILE A 13 2.850 -1.331 3.705 1.00 0.00 N ATOM 208 CA ILE A 13 2.514 0.000 4.167 1.00 0.00 C ATOM 209 C ILE A 13 3.771 0.840 4.108 1.00 0.00 C ATOM 210 O ILE A 13 3.745 1.997 3.733 1.00 0.00 O ATOM 211 CB ILE A 13 1.970 -0.040 5.610 1.00 0.00 C ATOM 212 CG1 ILE A 13 1.377 1.336 5.964 1.00 0.00 C ATOM 213 CG2 ILE A 13 3.096 -0.411 6.595 1.00 0.00 C ATOM 214 CD1 ILE A 13 1.718 1.730 7.401 1.00 0.00 C ATOM 0 H ILE A 13 2.711 -2.071 4.393 1.00 0.00 H new ATOM 0 HA ILE A 13 1.736 0.427 3.534 1.00 0.00 H new ATOM 0 HB ILE A 13 1.190 -0.798 5.684 1.00 0.00 H new ATOM 0 HG12 ILE A 13 1.762 2.089 5.276 1.00 0.00 H new ATOM 0 HG13 ILE A 13 0.295 1.312 5.837 1.00 0.00 H new ATOM 0 HG21 ILE A 13 2.698 -0.436 7.610 1.00 0.00 H new ATOM 0 HG22 ILE A 13 3.496 -1.392 6.338 1.00 0.00 H new ATOM 0 HG23 ILE A 13 3.891 0.332 6.535 1.00 0.00 H new ATOM 0 HD11 ILE A 13 1.286 2.706 7.623 1.00 0.00 H new ATOM 0 HD12 ILE A 13 1.311 0.988 8.088 1.00 0.00 H new ATOM 0 HD13 ILE A 13 2.801 1.777 7.518 1.00 0.00 H new ATOM 226 N GLY A 14 4.878 0.205 4.456 1.00 0.00 N ATOM 227 CA GLY A 14 6.160 0.849 4.438 1.00 0.00 C ATOM 228 C GLY A 14 6.519 1.211 3.006 1.00 0.00 C ATOM 229 O GLY A 14 7.088 2.276 2.752 1.00 0.00 O ATOM 0 H GLY A 14 4.902 -0.769 4.757 1.00 0.00 H new ATOM 0 HA2 GLY A 14 6.138 1.746 5.058 1.00 0.00 H new ATOM 0 HA3 GLY A 14 6.918 0.188 4.859 1.00 0.00 H new ATOM 233 N GLU A 15 6.163 0.322 2.063 1.00 0.00 N ATOM 234 CA GLU A 15 6.442 0.578 0.659 1.00 0.00 C ATOM 235 C GLU A 15 5.540 1.685 0.124 1.00 0.00 C ATOM 236 O GLU A 15 5.982 2.593 -0.577 1.00 0.00 O ATOM 237 CB GLU A 15 6.138 -0.681 -0.163 1.00 0.00 C ATOM 238 CG GLU A 15 7.106 -1.818 0.184 1.00 0.00 C ATOM 239 CD GLU A 15 8.059 -2.074 -0.983 1.00 0.00 C ATOM 240 OE1 GLU A 15 9.048 -1.365 -1.080 1.00 0.00 O ATOM 241 OE2 GLU A 15 7.783 -2.966 -1.768 1.00 0.00 O ATOM 0 H GLU A 15 5.690 -0.562 2.252 1.00 0.00 H new ATOM 0 HA GLU A 15 7.490 0.867 0.575 1.00 0.00 H new ATOM 0 HB2 GLU A 15 5.114 -1.002 0.025 1.00 0.00 H new ATOM 0 HB3 GLU A 15 6.210 -0.450 -1.226 1.00 0.00 H new ATOM 0 HG2 GLU A 15 7.675 -1.561 1.078 1.00 0.00 H new ATOM 0 HG3 GLU A 15 6.546 -2.725 0.412 1.00 0.00 H new ATOM 248 N ILE A 16 4.261 1.557 0.447 1.00 0.00 N ATOM 249 CA ILE A 16 3.241 2.491 0.007 1.00 0.00 C ATOM 250 C ILE A 16 3.330 3.858 0.694 1.00 0.00 C ATOM 251 O ILE A 16 3.069 4.890 0.074 1.00 0.00 O ATOM 252 CB ILE A 16 1.880 1.797 0.159 1.00 0.00 C ATOM 253 CG1 ILE A 16 1.853 0.659 -0.878 1.00 0.00 C ATOM 254 CG2 ILE A 16 0.703 2.756 -0.075 1.00 0.00 C ATOM 255 CD1 ILE A 16 0.595 -0.189 -0.745 1.00 0.00 C ATOM 0 H ILE A 16 3.902 0.797 1.025 1.00 0.00 H new ATOM 0 HA ILE A 16 3.396 2.742 -1.042 1.00 0.00 H new ATOM 0 HB ILE A 16 1.767 1.426 1.177 1.00 0.00 H new ATOM 0 HG12 ILE A 16 1.905 1.079 -1.882 1.00 0.00 H new ATOM 0 HG13 ILE A 16 2.733 0.029 -0.751 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -0.236 2.215 0.044 1.00 0.00 H new ATOM 0 HG22 ILE A 16 0.748 3.570 0.648 1.00 0.00 H new ATOM 0 HG23 ILE A 16 0.761 3.164 -1.084 1.00 0.00 H new ATOM 0 HD11 ILE A 16 0.610 -0.982 -1.493 1.00 0.00 H new ATOM 0 HD12 ILE A 16 0.557 -0.630 0.251 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -0.284 0.437 -0.898 1.00 0.00 H new ATOM 267 N MET A 17 3.708 3.864 1.960 1.00 0.00 N ATOM 268 CA MET A 17 3.843 5.115 2.703 1.00 0.00 C ATOM 269 C MET A 17 4.995 5.952 2.133 1.00 0.00 C ATOM 270 O MET A 17 5.028 7.173 2.297 1.00 0.00 O ATOM 271 CB MET A 17 4.060 4.820 4.195 1.00 0.00 C ATOM 272 CG MET A 17 2.731 4.373 4.826 1.00 0.00 C ATOM 273 SD MET A 17 1.558 5.746 4.903 1.00 0.00 S ATOM 274 CE MET A 17 0.051 4.744 4.747 1.00 0.00 C ATOM 0 H MET A 17 3.927 3.025 2.497 1.00 0.00 H new ATOM 0 HA MET A 17 2.924 5.692 2.598 1.00 0.00 H new ATOM 0 HB2 MET A 17 4.813 4.042 4.317 1.00 0.00 H new ATOM 0 HB3 MET A 17 4.435 5.709 4.702 1.00 0.00 H new ATOM 0 HG2 MET A 17 2.304 3.557 4.243 1.00 0.00 H new ATOM 0 HG3 MET A 17 2.912 3.988 5.829 1.00 0.00 H new ATOM 0 HE1 MET A 17 -0.824 5.381 4.877 1.00 0.00 H new ATOM 0 HE2 MET A 17 0.021 4.283 3.760 1.00 0.00 H new ATOM 0 HE3 MET A 17 0.050 3.966 5.511 1.00 0.00 H new ATOM 284 N ARG A 18 5.926 5.276 1.449 1.00 0.00 N ATOM 285 CA ARG A 18 7.076 5.929 0.832 1.00 0.00 C ATOM 286 C ARG A 18 6.644 6.774 -0.366 1.00 0.00 C ATOM 287 O ARG A 18 7.235 7.818 -0.650 1.00 0.00 O ATOM 288 CB ARG A 18 8.051 4.837 0.377 1.00 0.00 C ATOM 289 CG ARG A 18 9.275 5.438 -0.318 1.00 0.00 C ATOM 290 CD ARG A 18 10.109 4.304 -0.919 1.00 0.00 C ATOM 291 NE ARG A 18 10.595 3.406 0.130 1.00 0.00 N ATOM 292 CZ ARG A 18 10.052 2.205 0.324 1.00 0.00 C ATOM 293 NH1 ARG A 18 9.998 1.345 -0.654 1.00 0.00 N ATOM 294 NH2 ARG A 18 9.575 1.889 1.493 1.00 0.00 N ATOM 0 H ARG A 18 5.900 4.266 1.311 1.00 0.00 H new ATOM 0 HA ARG A 18 7.552 6.594 1.553 1.00 0.00 H new ATOM 0 HB2 ARG A 18 8.371 4.250 1.238 1.00 0.00 H new ATOM 0 HB3 ARG A 18 7.543 4.154 -0.303 1.00 0.00 H new ATOM 0 HG2 ARG A 18 8.963 6.131 -1.099 1.00 0.00 H new ATOM 0 HG3 ARG A 18 9.871 6.008 0.394 1.00 0.00 H new ATOM 0 HD2 ARG A 18 9.507 3.743 -1.634 1.00 0.00 H new ATOM 0 HD3 ARG A 18 10.953 4.719 -1.469 1.00 0.00 H new ATOM 0 HE ARG A 18 11.367 3.707 0.726 1.00 0.00 H new ATOM 0 HH11 ARG A 18 10.372 1.591 -1.571 1.00 0.00 H new ATOM 0 HH12 ARG A 18 9.582 0.426 -0.503 1.00 0.00 H new ATOM 0 HH21 ARG A 18 9.617 2.561 2.260 1.00 0.00 H new ATOM 0 HH22 ARG A 18 9.159 0.970 1.643 1.00 0.00 H new ATOM 308 N LEU A 19 5.628 6.279 -1.074 1.00 0.00 N ATOM 309 CA LEU A 19 5.102 6.922 -2.277 1.00 0.00 C ATOM 310 C LEU A 19 4.897 8.434 -2.104 1.00 0.00 C ATOM 311 O LEU A 19 3.949 8.868 -1.445 1.00 0.00 O ATOM 312 CB LEU A 19 3.782 6.255 -2.653 1.00 0.00 C ATOM 313 CG LEU A 19 3.981 4.732 -2.700 1.00 0.00 C ATOM 314 CD1 LEU A 19 2.661 4.035 -3.017 1.00 0.00 C ATOM 315 CD2 LEU A 19 5.037 4.382 -3.752 1.00 0.00 C ATOM 0 H LEU A 19 5.145 5.416 -0.827 1.00 0.00 H new ATOM 0 HA LEU A 19 5.838 6.798 -3.071 1.00 0.00 H new ATOM 0 HB2 LEU A 19 3.011 6.511 -1.926 1.00 0.00 H new ATOM 0 HB3 LEU A 19 3.440 6.619 -3.622 1.00 0.00 H new ATOM 0 HG LEU A 19 4.325 4.387 -1.725 1.00 0.00 H new ATOM 0 HD11 LEU A 19 2.817 2.957 -3.047 1.00 0.00 H new ATOM 0 HD12 LEU A 19 1.929 4.274 -2.246 1.00 0.00 H new ATOM 0 HD13 LEU A 19 2.293 4.376 -3.985 1.00 0.00 H new ATOM 0 HD21 LEU A 19 5.176 3.301 -3.783 1.00 0.00 H new ATOM 0 HD22 LEU A 19 4.707 4.733 -4.730 1.00 0.00 H new ATOM 0 HD23 LEU A 19 5.981 4.862 -3.494 1.00 0.00 H new ATOM 327 N PRO A 20 5.768 9.237 -2.691 1.00 0.00 N ATOM 328 CA PRO A 20 5.688 10.727 -2.613 1.00 0.00 C ATOM 329 C PRO A 20 4.653 11.309 -3.580 1.00 0.00 C ATOM 330 O PRO A 20 4.284 12.480 -3.468 1.00 0.00 O ATOM 331 CB PRO A 20 7.097 11.205 -3.016 1.00 0.00 C ATOM 332 CG PRO A 20 7.905 9.980 -3.327 1.00 0.00 C ATOM 333 CD PRO A 20 6.929 8.822 -3.491 1.00 0.00 C ATOM 0 HA PRO A 20 5.381 11.050 -1.618 1.00 0.00 H new ATOM 0 HB2 PRO A 20 7.047 11.864 -3.883 1.00 0.00 H new ATOM 0 HB3 PRO A 20 7.556 11.775 -2.208 1.00 0.00 H new ATOM 0 HG2 PRO A 20 8.486 10.124 -4.238 1.00 0.00 H new ATOM 0 HG3 PRO A 20 8.614 9.774 -2.525 1.00 0.00 H new ATOM 0 HD2 PRO A 20 6.662 8.667 -4.536 1.00 0.00 H new ATOM 0 HD3 PRO A 20 7.353 7.885 -3.128 1.00 0.00 H new ATOM 341 N ASN A 21 4.222 10.498 -4.552 1.00 0.00 N ATOM 342 CA ASN A 21 3.266 10.958 -5.565 1.00 0.00 C ATOM 343 C ASN A 21 1.826 10.562 -5.234 1.00 0.00 C ATOM 344 O ASN A 21 0.974 10.458 -6.120 1.00 0.00 O ATOM 345 CB ASN A 21 3.686 10.412 -6.928 1.00 0.00 C ATOM 346 CG ASN A 21 4.843 11.243 -7.484 1.00 0.00 C ATOM 347 OD1 ASN A 21 4.796 12.473 -7.464 1.00 0.00 O ATOM 348 ND2 ASN A 21 5.884 10.645 -7.984 1.00 0.00 N ATOM 0 H ASN A 21 4.517 9.527 -4.659 1.00 0.00 H new ATOM 0 HA ASN A 21 3.283 12.048 -5.582 1.00 0.00 H new ATOM 0 HB2 ASN A 21 3.987 9.369 -6.835 1.00 0.00 H new ATOM 0 HB3 ASN A 21 2.842 10.440 -7.617 1.00 0.00 H new ATOM 0 HD21 ASN A 21 6.658 11.195 -8.358 1.00 0.00 H new ATOM 0 HD22 ASN A 21 5.927 9.626 -8.002 1.00 0.00 H new ATOM 355 N LEU A 22 1.565 10.364 -3.952 1.00 0.00 N ATOM 356 CA LEU A 22 0.235 10.010 -3.475 1.00 0.00 C ATOM 357 C LEU A 22 -0.124 10.858 -2.276 1.00 0.00 C ATOM 358 O LEU A 22 0.739 11.158 -1.445 1.00 0.00 O ATOM 359 CB LEU A 22 0.196 8.542 -3.056 1.00 0.00 C ATOM 360 CG LEU A 22 0.362 7.646 -4.279 1.00 0.00 C ATOM 361 CD1 LEU A 22 0.837 6.267 -3.838 1.00 0.00 C ATOM 362 CD2 LEU A 22 -0.981 7.509 -4.988 1.00 0.00 C ATOM 0 H LEU A 22 2.265 10.443 -3.214 1.00 0.00 H new ATOM 0 HA LEU A 22 -0.475 10.182 -4.284 1.00 0.00 H new ATOM 0 HB2 LEU A 22 0.989 8.340 -2.336 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -0.749 8.322 -2.559 1.00 0.00 H new ATOM 0 HG LEU A 22 1.094 8.086 -4.956 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.956 5.626 -4.712 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.793 6.359 -3.323 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.102 5.828 -3.163 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.867 6.869 -5.863 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.708 7.067 -4.307 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -1.329 8.493 -5.301 1.00 0.00 H new ATOM 374 N ASN A 23 -1.405 11.183 -2.139 1.00 0.00 N ATOM 375 CA ASN A 23 -1.845 11.929 -0.971 1.00 0.00 C ATOM 376 C ASN A 23 -2.089 10.906 0.114 1.00 0.00 C ATOM 377 O ASN A 23 -2.196 9.712 -0.181 1.00 0.00 O ATOM 378 CB ASN A 23 -3.104 12.768 -1.251 1.00 0.00 C ATOM 379 CG ASN A 23 -4.001 12.088 -2.277 1.00 0.00 C ATOM 380 OD1 ASN A 23 -4.709 11.139 -1.948 1.00 0.00 O ATOM 381 ND2 ASN A 23 -4.007 12.519 -3.510 1.00 0.00 N ATOM 0 H ASN A 23 -2.140 10.947 -2.806 1.00 0.00 H new ATOM 0 HA ASN A 23 -1.086 12.652 -0.671 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -3.657 12.920 -0.324 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -2.814 13.754 -1.614 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -4.601 12.067 -4.205 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -3.417 13.307 -3.778 1.00 0.00 H new ATOM 388 N SER A 24 -2.141 11.344 1.357 1.00 0.00 N ATOM 389 CA SER A 24 -2.322 10.405 2.449 1.00 0.00 C ATOM 390 C SER A 24 -3.498 9.481 2.196 1.00 0.00 C ATOM 391 O SER A 24 -3.442 8.323 2.538 1.00 0.00 O ATOM 392 CB SER A 24 -2.538 11.135 3.761 1.00 0.00 C ATOM 393 OG SER A 24 -3.678 11.981 3.657 1.00 0.00 O ATOM 0 H SER A 24 -2.063 12.323 1.634 1.00 0.00 H new ATOM 0 HA SER A 24 -1.411 9.809 2.511 1.00 0.00 H new ATOM 0 HB2 SER A 24 -2.678 10.417 4.569 1.00 0.00 H new ATOM 0 HB3 SER A 24 -1.656 11.726 4.009 1.00 0.00 H new ATOM 0 HG SER A 24 -3.816 12.450 4.506 1.00 0.00 H new ATOM 399 N LEU A 25 -4.551 9.991 1.587 1.00 0.00 N ATOM 400 CA LEU A 25 -5.724 9.174 1.312 1.00 0.00 C ATOM 401 C LEU A 25 -5.387 8.022 0.406 1.00 0.00 C ATOM 402 O LEU A 25 -5.742 6.897 0.706 1.00 0.00 O ATOM 403 CB LEU A 25 -6.786 10.008 0.628 1.00 0.00 C ATOM 404 CG LEU A 25 -7.099 11.271 1.439 1.00 0.00 C ATOM 405 CD1 LEU A 25 -6.104 12.395 1.113 1.00 0.00 C ATOM 406 CD2 LEU A 25 -8.495 11.731 1.057 1.00 0.00 C ATOM 0 H LEU A 25 -4.622 10.959 1.274 1.00 0.00 H new ATOM 0 HA LEU A 25 -6.086 8.792 2.267 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -6.448 10.287 -0.370 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -7.693 9.417 0.504 1.00 0.00 H new ATOM 0 HG LEU A 25 -7.027 11.045 2.503 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -6.348 13.279 1.702 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -5.093 12.067 1.354 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -6.164 12.637 0.052 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -8.748 12.630 1.619 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -8.527 11.949 -0.011 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -9.213 10.945 1.289 1.00 0.00 H new ATOM 418 N GLN A 26 -4.694 8.306 -0.688 1.00 0.00 N ATOM 419 CA GLN A 26 -4.305 7.265 -1.612 1.00 0.00 C ATOM 420 C GLN A 26 -3.341 6.334 -0.931 1.00 0.00 C ATOM 421 O GLN A 26 -3.473 5.120 -0.992 1.00 0.00 O ATOM 422 CB GLN A 26 -3.642 7.885 -2.801 1.00 0.00 C ATOM 423 CG GLN A 26 -4.714 8.607 -3.615 1.00 0.00 C ATOM 424 CD GLN A 26 -4.107 9.644 -4.538 1.00 0.00 C ATOM 425 OE1 GLN A 26 -3.016 10.156 -4.289 1.00 0.00 O ATOM 426 NE2 GLN A 26 -4.768 9.988 -5.598 1.00 0.00 N ATOM 0 H GLN A 26 -4.394 9.245 -0.951 1.00 0.00 H new ATOM 0 HA GLN A 26 -5.185 6.708 -1.933 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -2.868 8.584 -2.484 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -3.153 7.121 -3.406 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -5.277 7.881 -4.202 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -5.422 9.089 -2.940 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -5.672 9.559 -5.797 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -4.385 10.688 -6.233 1.00 0.00 H new ATOM 435 N VAL A 27 -2.402 6.948 -0.234 1.00 0.00 N ATOM 436 CA VAL A 27 -1.403 6.234 0.522 1.00 0.00 C ATOM 437 C VAL A 27 -2.113 5.327 1.516 1.00 0.00 C ATOM 438 O VAL A 27 -1.763 4.160 1.690 1.00 0.00 O ATOM 439 CB VAL A 27 -0.552 7.293 1.254 1.00 0.00 C ATOM 440 CG1 VAL A 27 0.237 6.699 2.411 1.00 0.00 C ATOM 441 CG2 VAL A 27 0.427 7.946 0.273 1.00 0.00 C ATOM 0 H VAL A 27 -2.315 7.963 -0.180 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.764 5.619 -0.112 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.242 8.034 1.657 1.00 0.00 H new ATOM 0 HG11 VAL A 27 0.820 7.483 2.894 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.451 6.261 3.134 1.00 0.00 H new ATOM 0 HG13 VAL A 27 0.909 5.927 2.035 1.00 0.00 H new ATOM 0 HG21 VAL A 27 1.024 8.692 0.797 1.00 0.00 H new ATOM 0 HG22 VAL A 27 1.085 7.184 -0.146 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.130 8.427 -0.531 1.00 0.00 H new ATOM 451 N VAL A 28 -3.132 5.894 2.132 1.00 0.00 N ATOM 452 CA VAL A 28 -3.960 5.183 3.096 1.00 0.00 C ATOM 453 C VAL A 28 -4.861 4.179 2.414 1.00 0.00 C ATOM 454 O VAL A 28 -5.151 3.110 2.946 1.00 0.00 O ATOM 455 CB VAL A 28 -4.732 6.146 3.975 1.00 0.00 C ATOM 456 CG1 VAL A 28 -5.578 5.343 4.968 1.00 0.00 C ATOM 457 CG2 VAL A 28 -3.701 6.975 4.743 1.00 0.00 C ATOM 0 H VAL A 28 -3.412 6.863 1.980 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.299 4.617 3.752 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.386 6.787 3.384 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -6.138 6.027 5.606 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -6.273 4.705 4.422 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -4.926 4.724 5.584 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -4.215 7.685 5.391 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -3.081 6.314 5.348 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -3.072 7.518 4.037 1.00 0.00 H new ATOM 467 N ALA A 29 -5.304 4.557 1.231 1.00 0.00 N ATOM 468 CA ALA A 29 -6.180 3.737 0.432 1.00 0.00 C ATOM 469 C ALA A 29 -5.540 2.397 0.261 1.00 0.00 C ATOM 470 O ALA A 29 -6.195 1.356 0.289 1.00 0.00 O ATOM 471 CB ALA A 29 -6.313 4.373 -0.934 1.00 0.00 C ATOM 0 H ALA A 29 -5.062 5.448 0.798 1.00 0.00 H new ATOM 0 HA ALA A 29 -7.156 3.641 0.909 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -6.973 3.767 -1.555 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -6.731 5.374 -0.830 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -5.331 4.437 -1.403 1.00 0.00 H new ATOM 477 N PHE A 30 -4.232 2.447 0.112 1.00 0.00 N ATOM 478 CA PHE A 30 -3.469 1.278 -0.027 1.00 0.00 C ATOM 479 C PHE A 30 -3.411 0.558 1.272 1.00 0.00 C ATOM 480 O PHE A 30 -3.528 -0.658 1.277 1.00 0.00 O ATOM 481 CB PHE A 30 -2.095 1.643 -0.479 1.00 0.00 C ATOM 482 CG PHE A 30 -2.162 1.881 -1.944 1.00 0.00 C ATOM 483 CD1 PHE A 30 -2.370 0.804 -2.795 1.00 0.00 C ATOM 484 CD2 PHE A 30 -2.046 3.170 -2.448 1.00 0.00 C ATOM 485 CE1 PHE A 30 -2.472 1.017 -4.155 1.00 0.00 C ATOM 486 CE2 PHE A 30 -2.148 3.393 -3.803 1.00 0.00 C ATOM 487 CZ PHE A 30 -2.370 2.313 -4.673 1.00 0.00 C ATOM 0 H PHE A 30 -3.692 3.312 0.087 1.00 0.00 H new ATOM 0 HA PHE A 30 -3.929 0.623 -0.767 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -1.744 2.535 0.040 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -1.390 0.843 -0.251 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -2.452 -0.196 -2.395 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -1.876 3.998 -1.776 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -2.631 0.182 -4.821 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -2.058 4.395 -4.195 1.00 0.00 H new ATOM 0 HZ PHE A 30 -2.461 2.482 -5.736 1.00 0.00 H new ATOM 497 N ILE A 31 -3.280 1.307 2.387 1.00 0.00 N ATOM 498 CA ILE A 31 -3.248 0.637 3.682 1.00 0.00 C ATOM 499 C ILE A 31 -4.514 -0.191 3.781 1.00 0.00 C ATOM 500 O ILE A 31 -4.518 -1.318 4.282 1.00 0.00 O ATOM 501 CB ILE A 31 -3.298 1.604 4.873 1.00 0.00 C ATOM 502 CG1 ILE A 31 -2.155 2.606 4.843 1.00 0.00 C ATOM 503 CG2 ILE A 31 -3.204 0.798 6.182 1.00 0.00 C ATOM 504 CD1 ILE A 31 -2.382 3.625 5.974 1.00 0.00 C ATOM 0 H ILE A 31 -3.199 2.324 2.411 1.00 0.00 H new ATOM 0 HA ILE A 31 -2.319 0.070 3.731 1.00 0.00 H new ATOM 0 HB ILE A 31 -4.238 2.153 4.813 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -1.200 2.098 4.975 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -2.117 3.111 3.878 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -3.239 1.479 7.032 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -4.040 0.101 6.241 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -2.266 0.242 6.201 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -1.573 4.356 5.973 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -3.333 4.135 5.819 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -2.401 3.106 6.933 1.00 0.00 H new ATOM 516 N ASN A 32 -5.591 0.418 3.286 1.00 0.00 N ATOM 517 CA ASN A 32 -6.896 -0.205 3.299 1.00 0.00 C ATOM 518 C ASN A 32 -6.956 -1.418 2.383 1.00 0.00 C ATOM 519 O ASN A 32 -7.543 -2.431 2.745 1.00 0.00 O ATOM 520 CB ASN A 32 -7.941 0.831 2.884 1.00 0.00 C ATOM 521 CG ASN A 32 -8.368 1.660 4.092 1.00 0.00 C ATOM 522 OD1 ASN A 32 -9.074 1.166 4.970 1.00 0.00 O ATOM 523 ND2 ASN A 32 -7.973 2.898 4.190 1.00 0.00 N ATOM 0 H ASN A 32 -5.575 1.349 2.870 1.00 0.00 H new ATOM 0 HA ASN A 32 -7.101 -0.561 4.309 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -7.531 1.483 2.113 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -8.808 0.331 2.452 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -8.249 3.459 4.996 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -7.388 3.306 3.461 1.00 0.00 H new ATOM 530 N SER A 33 -6.354 -1.322 1.203 1.00 0.00 N ATOM 531 CA SER A 33 -6.372 -2.432 0.276 1.00 0.00 C ATOM 532 C SER A 33 -5.603 -3.627 0.842 1.00 0.00 C ATOM 533 O SER A 33 -5.978 -4.776 0.609 1.00 0.00 O ATOM 534 CB SER A 33 -5.777 -1.997 -1.048 1.00 0.00 C ATOM 535 OG SER A 33 -6.347 -0.756 -1.443 1.00 0.00 O ATOM 0 H SER A 33 -5.855 -0.495 0.874 1.00 0.00 H new ATOM 0 HA SER A 33 -7.405 -2.743 0.120 1.00 0.00 H new ATOM 0 HB2 SER A 33 -4.695 -1.899 -0.957 1.00 0.00 H new ATOM 0 HB3 SER A 33 -5.966 -2.754 -1.809 1.00 0.00 H new ATOM 0 HG SER A 33 -6.085 -0.058 -0.807 1.00 0.00 H new ATOM 541 N LEU A 34 -4.522 -3.345 1.578 1.00 0.00 N ATOM 542 CA LEU A 34 -3.702 -4.430 2.171 1.00 0.00 C ATOM 543 C LEU A 34 -4.573 -5.327 3.050 1.00 0.00 C ATOM 544 O LEU A 34 -4.487 -6.547 2.989 1.00 0.00 O ATOM 545 CB LEU A 34 -2.562 -3.913 3.078 1.00 0.00 C ATOM 546 CG LEU A 34 -1.884 -2.652 2.540 1.00 0.00 C ATOM 547 CD1 LEU A 34 -0.608 -2.367 3.332 1.00 0.00 C ATOM 548 CD2 LEU A 34 -1.511 -2.807 1.071 1.00 0.00 C ATOM 0 H LEU A 34 -4.193 -2.401 1.779 1.00 0.00 H new ATOM 0 HA LEU A 34 -3.273 -4.963 1.322 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -2.962 -3.706 4.070 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.814 -4.698 3.193 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.591 -1.829 2.645 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -0.131 -1.467 2.943 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -0.857 -2.220 4.383 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.076 -3.210 3.236 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.031 -1.894 0.719 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.824 -3.645 0.957 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.411 -2.993 0.485 1.00 0.00 H new ATOM 560 N ARG A 35 -5.402 -4.698 3.878 1.00 0.00 N ATOM 561 CA ARG A 35 -6.290 -5.431 4.779 1.00 0.00 C ATOM 562 C ARG A 35 -7.391 -6.109 3.976 1.00 0.00 C ATOM 563 O ARG A 35 -7.829 -7.214 4.305 1.00 0.00 O ATOM 564 CB ARG A 35 -6.852 -4.469 5.842 1.00 0.00 C ATOM 565 CG ARG A 35 -8.199 -3.861 5.415 1.00 0.00 C ATOM 566 CD ARG A 35 -8.386 -2.484 6.060 1.00 0.00 C ATOM 567 NE ARG A 35 -9.301 -1.679 5.252 1.00 0.00 N ATOM 568 CZ ARG A 35 -10.587 -1.574 5.559 1.00 0.00 C ATOM 569 NH1 ARG A 35 -10.984 -0.665 6.402 1.00 0.00 N ATOM 570 NH2 ARG A 35 -11.453 -2.379 5.013 1.00 0.00 N ATOM 0 H ARG A 35 -5.478 -3.683 3.945 1.00 0.00 H new ATOM 0 HA ARG A 35 -5.737 -6.213 5.300 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -6.978 -5.003 6.784 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -6.134 -3.669 6.023 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -8.238 -3.770 4.329 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -9.014 -4.522 5.709 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -8.780 -2.596 7.070 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -7.424 -1.980 6.148 1.00 0.00 H new ATOM 0 HE ARG A 35 -8.942 -1.187 4.434 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -10.306 -0.033 6.827 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -11.973 -0.585 6.637 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -11.142 -3.089 4.350 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -12.442 -2.299 5.248 1.00 0.00 H new ATOM 584 N ASP A 36 -7.804 -5.441 2.901 1.00 0.00 N ATOM 585 CA ASP A 36 -8.820 -5.964 2.014 1.00 0.00 C ATOM 586 C ASP A 36 -8.243 -7.164 1.274 1.00 0.00 C ATOM 587 O ASP A 36 -8.979 -8.024 0.785 1.00 0.00 O ATOM 588 CB ASP A 36 -9.246 -4.866 1.021 1.00 0.00 C ATOM 589 CG ASP A 36 -9.918 -3.689 1.746 1.00 0.00 C ATOM 590 OD1 ASP A 36 -10.425 -3.882 2.843 1.00 0.00 O ATOM 591 OD2 ASP A 36 -9.914 -2.604 1.189 1.00 0.00 O ATOM 0 H ASP A 36 -7.441 -4.528 2.628 1.00 0.00 H new ATOM 0 HA ASP A 36 -9.698 -6.277 2.579 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -8.374 -4.509 0.474 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -9.934 -5.284 0.286 1.00 0.00 H new ATOM 596 N ASP A 37 -6.906 -7.201 1.215 1.00 0.00 N ATOM 597 CA ASP A 37 -6.187 -8.281 0.549 1.00 0.00 C ATOM 598 C ASP A 37 -4.673 -8.148 0.783 1.00 0.00 C ATOM 599 O ASP A 37 -3.995 -7.400 0.072 1.00 0.00 O ATOM 600 CB ASP A 37 -6.478 -8.246 -0.955 1.00 0.00 C ATOM 601 CG ASP A 37 -6.131 -9.591 -1.602 1.00 0.00 C ATOM 602 OD1 ASP A 37 -5.095 -10.151 -1.263 1.00 0.00 O ATOM 603 OD2 ASP A 37 -6.902 -10.044 -2.430 1.00 0.00 O ATOM 0 H ASP A 37 -6.302 -6.488 1.625 1.00 0.00 H new ATOM 0 HA ASP A 37 -6.524 -9.230 0.965 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -7.530 -8.016 -1.122 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -5.900 -7.450 -1.425 1.00 0.00 H new ATOM 608 N PRO A 38 -4.131 -8.850 1.758 1.00 0.00 N ATOM 609 CA PRO A 38 -2.673 -8.795 2.067 1.00 0.00 C ATOM 610 C PRO A 38 -1.847 -9.487 0.992 1.00 0.00 C ATOM 611 O PRO A 38 -0.756 -9.038 0.653 1.00 0.00 O ATOM 612 CB PRO A 38 -2.521 -9.510 3.416 1.00 0.00 C ATOM 613 CG PRO A 38 -3.887 -9.940 3.839 1.00 0.00 C ATOM 614 CD PRO A 38 -4.838 -9.768 2.656 1.00 0.00 C ATOM 0 HA PRO A 38 -2.312 -7.767 2.104 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -1.857 -10.370 3.324 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -2.079 -8.844 4.158 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -3.873 -10.980 4.165 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -4.226 -9.345 4.687 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -5.045 -10.721 2.169 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -5.797 -9.357 2.972 1.00 0.00 H new ATOM 622 N SER A 39 -2.394 -10.567 0.438 1.00 0.00 N ATOM 623 CA SER A 39 -1.714 -11.304 -0.620 1.00 0.00 C ATOM 624 C SER A 39 -1.474 -10.369 -1.789 1.00 0.00 C ATOM 625 O SER A 39 -0.498 -10.507 -2.529 1.00 0.00 O ATOM 626 CB SER A 39 -2.563 -12.497 -1.068 1.00 0.00 C ATOM 627 OG SER A 39 -2.888 -13.296 0.064 1.00 0.00 O ATOM 0 H SER A 39 -3.302 -10.948 0.704 1.00 0.00 H new ATOM 0 HA SER A 39 -0.762 -11.683 -0.247 1.00 0.00 H new ATOM 0 HB2 SER A 39 -3.474 -12.147 -1.554 1.00 0.00 H new ATOM 0 HB3 SER A 39 -2.018 -13.091 -1.802 1.00 0.00 H new ATOM 0 HG SER A 39 -3.433 -14.059 -0.220 1.00 0.00 H new ATOM 633 N GLN A 40 -2.380 -9.403 -1.924 1.00 0.00 N ATOM 634 CA GLN A 40 -2.290 -8.414 -2.978 1.00 0.00 C ATOM 635 C GLN A 40 -1.654 -7.128 -2.461 1.00 0.00 C ATOM 636 O GLN A 40 -1.670 -6.120 -3.155 1.00 0.00 O ATOM 637 CB GLN A 40 -3.684 -8.125 -3.548 1.00 0.00 C ATOM 638 CG GLN A 40 -4.240 -9.387 -4.220 1.00 0.00 C ATOM 639 CD GLN A 40 -3.472 -9.687 -5.504 1.00 0.00 C ATOM 640 OE1 GLN A 40 -3.607 -8.969 -6.493 1.00 0.00 O ATOM 641 NE2 GLN A 40 -2.661 -10.708 -5.544 1.00 0.00 N ATOM 0 H GLN A 40 -3.186 -9.290 -1.309 1.00 0.00 H new ATOM 0 HA GLN A 40 -1.658 -8.812 -3.771 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -4.353 -7.801 -2.751 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -3.630 -7.310 -4.270 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -4.165 -10.233 -3.537 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -5.298 -9.251 -4.445 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -2.549 -11.303 -4.723 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -2.138 -10.911 -6.396 1.00 0.00 H new ATOM 650 N SER A 41 -1.067 -7.170 -1.254 1.00 0.00 N ATOM 651 CA SER A 41 -0.414 -5.983 -0.695 1.00 0.00 C ATOM 652 C SER A 41 0.598 -5.489 -1.718 1.00 0.00 C ATOM 653 O SER A 41 0.757 -4.293 -1.928 1.00 0.00 O ATOM 654 CB SER A 41 0.290 -6.316 0.639 1.00 0.00 C ATOM 655 OG SER A 41 1.400 -7.167 0.382 1.00 0.00 O ATOM 0 H SER A 41 -1.032 -7.998 -0.659 1.00 0.00 H new ATOM 0 HA SER A 41 -1.156 -5.213 -0.486 1.00 0.00 H new ATOM 0 HB2 SER A 41 0.624 -5.400 1.126 1.00 0.00 H new ATOM 0 HB3 SER A 41 -0.407 -6.804 1.320 1.00 0.00 H new ATOM 0 HG SER A 41 2.197 -6.807 0.824 1.00 0.00 H new ATOM 661 N ALA A 42 1.238 -6.467 -2.362 1.00 0.00 N ATOM 662 CA ALA A 42 2.220 -6.248 -3.408 1.00 0.00 C ATOM 663 C ALA A 42 1.575 -5.722 -4.698 1.00 0.00 C ATOM 664 O ALA A 42 2.162 -4.894 -5.391 1.00 0.00 O ATOM 665 CB ALA A 42 2.910 -7.571 -3.719 1.00 0.00 C ATOM 0 H ALA A 42 1.079 -7.454 -2.161 1.00 0.00 H new ATOM 0 HA ALA A 42 2.930 -5.502 -3.051 1.00 0.00 H new ATOM 0 HB1 ALA A 42 3.651 -7.419 -4.504 1.00 0.00 H new ATOM 0 HB2 ALA A 42 3.404 -7.944 -2.822 1.00 0.00 H new ATOM 0 HB3 ALA A 42 2.170 -8.297 -4.054 1.00 0.00 H new ATOM 671 N ASN A 43 0.367 -6.211 -5.008 1.00 0.00 N ATOM 672 CA ASN A 43 -0.361 -5.789 -6.205 1.00 0.00 C ATOM 673 C ASN A 43 -0.809 -4.368 -6.011 1.00 0.00 C ATOM 674 O ASN A 43 -0.804 -3.543 -6.919 1.00 0.00 O ATOM 675 CB ASN A 43 -1.586 -6.668 -6.369 1.00 0.00 C ATOM 676 CG ASN A 43 -2.183 -6.504 -7.758 1.00 0.00 C ATOM 677 OD1 ASN A 43 -1.560 -6.864 -8.756 1.00 0.00 O ATOM 678 ND2 ASN A 43 -3.362 -5.975 -7.876 1.00 0.00 N ATOM 0 H ASN A 43 -0.126 -6.902 -4.442 1.00 0.00 H new ATOM 0 HA ASN A 43 0.277 -5.871 -7.085 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -1.316 -7.711 -6.205 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -2.329 -6.409 -5.615 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -3.777 -5.856 -8.800 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -3.873 -5.679 -7.045 1.00 0.00 H new ATOM 685 N LEU A 44 -1.172 -4.122 -4.777 1.00 0.00 N ATOM 686 CA LEU A 44 -1.610 -2.827 -4.328 1.00 0.00 C ATOM 687 C LEU A 44 -0.431 -1.926 -4.338 1.00 0.00 C ATOM 688 O LEU A 44 -0.499 -0.777 -4.727 1.00 0.00 O ATOM 689 CB LEU A 44 -2.172 -2.996 -2.936 1.00 0.00 C ATOM 690 CG LEU A 44 -3.430 -3.826 -3.082 1.00 0.00 C ATOM 691 CD1 LEU A 44 -3.863 -4.428 -1.746 1.00 0.00 C ATOM 692 CD2 LEU A 44 -4.493 -2.921 -3.660 1.00 0.00 C ATOM 0 H LEU A 44 -1.171 -4.831 -4.044 1.00 0.00 H new ATOM 0 HA LEU A 44 -2.381 -2.398 -4.967 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -1.453 -3.492 -2.284 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -2.395 -2.028 -2.487 1.00 0.00 H new ATOM 0 HG LEU A 44 -3.254 -4.674 -3.744 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -4.769 -5.017 -1.889 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -3.070 -5.069 -1.362 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -4.060 -3.627 -1.033 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -5.420 -3.481 -3.782 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -4.662 -2.082 -2.986 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -4.164 -2.547 -4.630 1.00 0.00 H new ATOM 704 N LEU A 45 0.666 -2.511 -3.964 1.00 0.00 N ATOM 705 CA LEU A 45 1.922 -1.838 -3.977 1.00 0.00 C ATOM 706 C LEU A 45 2.234 -1.480 -5.412 1.00 0.00 C ATOM 707 O LEU A 45 2.732 -0.401 -5.722 1.00 0.00 O ATOM 708 CB LEU A 45 2.959 -2.832 -3.493 1.00 0.00 C ATOM 709 CG LEU A 45 3.828 -2.238 -2.428 1.00 0.00 C ATOM 710 CD1 LEU A 45 4.460 -3.402 -1.654 1.00 0.00 C ATOM 711 CD2 LEU A 45 4.877 -1.354 -3.112 1.00 0.00 C ATOM 0 H LEU A 45 0.711 -3.477 -3.639 1.00 0.00 H new ATOM 0 HA LEU A 45 1.913 -0.944 -3.354 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.461 -3.720 -3.105 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.577 -3.154 -4.332 1.00 0.00 H new ATOM 0 HG LEU A 45 3.273 -1.616 -1.726 1.00 0.00 H new ATOM 0 HD11 LEU A 45 5.103 -3.009 -0.866 1.00 0.00 H new ATOM 0 HD12 LEU A 45 3.674 -4.013 -1.210 1.00 0.00 H new ATOM 0 HD13 LEU A 45 5.053 -4.013 -2.335 1.00 0.00 H new ATOM 0 HD21 LEU A 45 5.525 -0.908 -2.357 1.00 0.00 H new ATOM 0 HD22 LEU A 45 5.476 -1.960 -3.792 1.00 0.00 H new ATOM 0 HD23 LEU A 45 4.377 -0.565 -3.674 1.00 0.00 H new ATOM 723 N ALA A 46 1.894 -2.430 -6.274 1.00 0.00 N ATOM 724 CA ALA A 46 2.084 -2.290 -7.699 1.00 0.00 C ATOM 725 C ALA A 46 1.228 -1.150 -8.180 1.00 0.00 C ATOM 726 O ALA A 46 1.668 -0.289 -8.940 1.00 0.00 O ATOM 727 CB ALA A 46 1.618 -3.564 -8.405 1.00 0.00 C ATOM 0 H ALA A 46 1.478 -3.319 -5.997 1.00 0.00 H new ATOM 0 HA ALA A 46 3.137 -2.109 -7.914 1.00 0.00 H new ATOM 0 HB1 ALA A 46 1.762 -3.457 -9.480 1.00 0.00 H new ATOM 0 HB2 ALA A 46 2.198 -4.413 -8.044 1.00 0.00 H new ATOM 0 HB3 ALA A 46 0.562 -3.731 -8.195 1.00 0.00 H new ATOM 733 N GLU A 47 -0.003 -1.158 -7.683 1.00 0.00 N ATOM 734 CA GLU A 47 -0.961 -0.142 -7.994 1.00 0.00 C ATOM 735 C GLU A 47 -0.457 1.173 -7.456 1.00 0.00 C ATOM 736 O GLU A 47 -0.526 2.183 -8.107 1.00 0.00 O ATOM 737 CB GLU A 47 -2.254 -0.517 -7.297 1.00 0.00 C ATOM 738 CG GLU A 47 -3.074 -1.471 -8.166 1.00 0.00 C ATOM 739 CD GLU A 47 -4.104 -2.205 -7.311 1.00 0.00 C ATOM 740 OE1 GLU A 47 -5.117 -1.606 -6.991 1.00 0.00 O ATOM 741 OE2 GLU A 47 -3.860 -3.356 -6.986 1.00 0.00 O ATOM 0 H GLU A 47 -0.352 -1.879 -7.052 1.00 0.00 H new ATOM 0 HA GLU A 47 -1.118 -0.053 -9.069 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -2.034 -0.987 -6.338 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -2.834 0.381 -7.086 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -3.577 -0.914 -8.957 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -2.415 -2.190 -8.652 1.00 0.00 H new ATOM 748 N ALA A 48 0.072 1.113 -6.255 1.00 0.00 N ATOM 749 CA ALA A 48 0.611 2.276 -5.581 1.00 0.00 C ATOM 750 C ALA A 48 1.731 2.892 -6.387 1.00 0.00 C ATOM 751 O ALA A 48 1.758 4.099 -6.610 1.00 0.00 O ATOM 752 CB ALA A 48 1.146 1.854 -4.229 1.00 0.00 C ATOM 0 H ALA A 48 0.142 0.251 -5.714 1.00 0.00 H new ATOM 0 HA ALA A 48 -0.181 3.015 -5.465 1.00 0.00 H new ATOM 0 HB1 ALA A 48 1.555 2.722 -3.712 1.00 0.00 H new ATOM 0 HB2 ALA A 48 0.338 1.426 -3.636 1.00 0.00 H new ATOM 0 HB3 ALA A 48 1.931 1.110 -4.364 1.00 0.00 H new ATOM 758 N LYS A 49 2.634 2.040 -6.838 1.00 0.00 N ATOM 759 CA LYS A 49 3.747 2.486 -7.656 1.00 0.00 C ATOM 760 C LYS A 49 3.196 2.999 -8.976 1.00 0.00 C ATOM 761 O LYS A 49 3.683 3.985 -9.529 1.00 0.00 O ATOM 762 CB LYS A 49 4.735 1.333 -7.877 1.00 0.00 C ATOM 763 CG LYS A 49 5.454 1.026 -6.554 1.00 0.00 C ATOM 764 CD LYS A 49 6.438 -0.136 -6.742 1.00 0.00 C ATOM 765 CE LYS A 49 7.099 -0.479 -5.397 1.00 0.00 C ATOM 766 NZ LYS A 49 7.165 -1.960 -5.233 1.00 0.00 N ATOM 0 H LYS A 49 2.619 1.037 -6.652 1.00 0.00 H new ATOM 0 HA LYS A 49 4.288 3.289 -7.156 1.00 0.00 H new ATOM 0 HB2 LYS A 49 4.207 0.448 -8.232 1.00 0.00 H new ATOM 0 HB3 LYS A 49 5.460 1.601 -8.646 1.00 0.00 H new ATOM 0 HG2 LYS A 49 5.987 1.911 -6.208 1.00 0.00 H new ATOM 0 HG3 LYS A 49 4.724 0.773 -5.785 1.00 0.00 H new ATOM 0 HD2 LYS A 49 5.915 -1.008 -7.134 1.00 0.00 H new ATOM 0 HD3 LYS A 49 7.199 0.134 -7.474 1.00 0.00 H new ATOM 0 HE2 LYS A 49 8.102 -0.054 -5.355 1.00 0.00 H new ATOM 0 HE3 LYS A 49 6.531 -0.038 -4.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 7.387 -2.190 -4.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 6.248 -2.379 -5.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 7.906 -2.345 -5.853 1.00 0.00 H new ATOM 780 N LYS A 50 2.135 2.334 -9.441 1.00 0.00 N ATOM 781 CA LYS A 50 1.459 2.718 -10.657 1.00 0.00 C ATOM 782 C LYS A 50 0.722 4.032 -10.428 1.00 0.00 C ATOM 783 O LYS A 50 0.649 4.871 -11.311 1.00 0.00 O ATOM 784 CB LYS A 50 0.497 1.592 -11.035 1.00 0.00 C ATOM 785 CG LYS A 50 -0.158 1.844 -12.392 1.00 0.00 C ATOM 786 CD LYS A 50 -0.758 0.524 -12.897 1.00 0.00 C ATOM 787 CE LYS A 50 -1.783 -0.024 -11.888 1.00 0.00 C ATOM 788 NZ LYS A 50 -2.847 -0.772 -12.616 1.00 0.00 N ATOM 0 H LYS A 50 1.731 1.519 -8.979 1.00 0.00 H new ATOM 0 HA LYS A 50 2.165 2.872 -11.473 1.00 0.00 H new ATOM 0 HB2 LYS A 50 1.036 0.645 -11.061 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -0.274 1.499 -10.270 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -0.935 2.603 -12.302 1.00 0.00 H new ATOM 0 HG3 LYS A 50 0.577 2.222 -13.103 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -1.238 0.682 -13.863 1.00 0.00 H new ATOM 0 HD3 LYS A 50 0.035 -0.207 -13.052 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -1.289 -0.679 -11.171 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -2.224 0.795 -11.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -3.540 -1.142 -11.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -3.325 -0.134 -13.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -2.420 -1.563 -13.139 1.00 0.00 H new ATOM 802 N LEU A 51 0.190 4.181 -9.212 1.00 0.00 N ATOM 803 CA LEU A 51 -0.549 5.367 -8.800 1.00 0.00 C ATOM 804 C LEU A 51 0.385 6.544 -8.671 1.00 0.00 C ATOM 805 O LEU A 51 0.101 7.644 -9.142 1.00 0.00 O ATOM 806 CB LEU A 51 -1.170 5.113 -7.424 1.00 0.00 C ATOM 807 CG LEU A 51 -2.650 4.715 -7.511 1.00 0.00 C ATOM 808 CD1 LEU A 51 -3.480 5.908 -8.010 1.00 0.00 C ATOM 809 CD2 LEU A 51 -2.825 3.485 -8.426 1.00 0.00 C ATOM 0 H LEU A 51 0.263 3.472 -8.482 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.315 5.579 -9.546 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.614 4.324 -6.918 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.074 6.011 -6.814 1.00 0.00 H new ATOM 0 HG LEU A 51 -3.008 4.440 -6.519 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -4.530 5.621 -8.070 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -3.371 6.742 -7.317 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -3.129 6.208 -8.997 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -3.880 3.216 -8.477 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.462 3.721 -9.426 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.256 2.647 -8.022 1.00 0.00 H new ATOM 821 N ASN A 52 1.508 6.285 -8.015 1.00 0.00 N ATOM 822 CA ASN A 52 2.513 7.300 -7.797 1.00 0.00 C ATOM 823 C ASN A 52 3.002 7.786 -9.141 1.00 0.00 C ATOM 824 O ASN A 52 3.081 8.988 -9.402 1.00 0.00 O ATOM 825 CB ASN A 52 3.650 6.669 -6.959 1.00 0.00 C ATOM 826 CG ASN A 52 5.071 7.174 -7.313 1.00 0.00 C ATOM 827 OD1 ASN A 52 5.265 8.092 -8.104 1.00 0.00 O ATOM 828 ND2 ASN A 52 6.098 6.609 -6.758 1.00 0.00 N ATOM 0 H ASN A 52 1.741 5.372 -7.625 1.00 0.00 H new ATOM 0 HA ASN A 52 2.118 8.158 -7.254 1.00 0.00 H new ATOM 0 HB2 ASN A 52 3.460 6.869 -5.905 1.00 0.00 H new ATOM 0 HB3 ASN A 52 3.621 5.587 -7.088 1.00 0.00 H new ATOM 0 HD21 ASN A 52 7.040 6.930 -6.982 1.00 0.00 H new ATOM 0 HD22 ASN A 52 5.964 5.844 -6.097 1.00 0.00 H new ATOM 835 N ASP A 53 3.322 6.828 -9.987 1.00 0.00 N ATOM 836 CA ASP A 53 3.807 7.132 -11.300 1.00 0.00 C ATOM 837 C ASP A 53 2.714 7.770 -12.155 1.00 0.00 C ATOM 838 O ASP A 53 2.985 8.628 -12.997 1.00 0.00 O ATOM 839 CB ASP A 53 4.297 5.847 -11.977 1.00 0.00 C ATOM 840 CG ASP A 53 4.982 6.175 -13.303 1.00 0.00 C ATOM 841 OD1 ASP A 53 6.159 6.494 -13.277 1.00 0.00 O ATOM 842 OD2 ASP A 53 4.317 6.106 -14.325 1.00 0.00 O ATOM 0 H ASP A 53 3.251 5.832 -9.779 1.00 0.00 H new ATOM 0 HA ASP A 53 4.630 7.841 -11.205 1.00 0.00 H new ATOM 0 HB2 ASP A 53 4.992 5.324 -11.320 1.00 0.00 H new ATOM 0 HB3 ASP A 53 3.456 5.176 -12.150 1.00 0.00 H new ATOM 847 N ALA A 54 1.483 7.295 -11.958 1.00 0.00 N ATOM 848 CA ALA A 54 0.337 7.767 -12.750 1.00 0.00 C ATOM 849 C ALA A 54 -0.161 9.153 -12.381 1.00 0.00 C ATOM 850 O ALA A 54 -0.540 9.933 -13.258 1.00 0.00 O ATOM 851 CB ALA A 54 -0.822 6.822 -12.519 1.00 0.00 C ATOM 0 H ALA A 54 1.251 6.587 -11.261 1.00 0.00 H new ATOM 0 HA ALA A 54 0.685 7.803 -13.782 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -1.684 7.154 -13.098 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.540 5.817 -12.833 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -1.079 6.813 -11.460 1.00 0.00 H new ATOM 857 N GLN A 55 -0.210 9.439 -11.089 1.00 0.00 N ATOM 858 CA GLN A 55 -0.726 10.713 -10.631 1.00 0.00 C ATOM 859 C GLN A 55 0.313 11.790 -10.717 1.00 0.00 C ATOM 860 O GLN A 55 0.047 12.884 -11.222 1.00 0.00 O ATOM 861 CB GLN A 55 -1.151 10.588 -9.180 1.00 0.00 C ATOM 862 CG GLN A 55 -2.329 9.628 -9.057 1.00 0.00 C ATOM 863 CD GLN A 55 -2.619 9.379 -7.588 1.00 0.00 C ATOM 864 OE1 GLN A 55 -3.483 8.578 -7.258 1.00 0.00 O ATOM 865 NE2 GLN A 55 -1.951 10.031 -6.678 1.00 0.00 N ATOM 0 H GLN A 55 0.099 8.810 -10.347 1.00 0.00 H new ATOM 0 HA GLN A 55 -1.568 10.979 -11.269 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -0.316 10.229 -8.579 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -1.428 11.567 -8.789 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -3.208 10.047 -9.547 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -2.101 8.688 -9.559 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -1.231 10.699 -6.954 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -2.148 9.874 -5.690 1.00 0.00 H new ATOM 874 N ALA A 56 1.486 11.470 -10.177 1.00 0.00 N ATOM 875 CA ALA A 56 2.589 12.430 -10.131 1.00 0.00 C ATOM 876 C ALA A 56 2.019 13.818 -9.761 1.00 0.00 C ATOM 877 O ALA A 56 2.080 14.753 -10.558 1.00 0.00 O ATOM 878 CB ALA A 56 3.296 12.463 -11.488 1.00 0.00 C ATOM 0 H ALA A 56 1.698 10.560 -9.767 1.00 0.00 H new ATOM 0 HA ALA A 56 3.322 12.138 -9.379 1.00 0.00 H new ATOM 0 HB1 ALA A 56 4.118 13.178 -11.453 1.00 0.00 H new ATOM 0 HB2 ALA A 56 3.687 11.472 -11.719 1.00 0.00 H new ATOM 0 HB3 ALA A 56 2.587 12.762 -12.260 1.00 0.00 H new