USER MOD reduce.3.24.130724 H: found=0, std=0, add=427, rem=0, adj=11 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= -2.65 K(o=-15,f=-19!) USER MOD Set 1.2: A 26 GLN : amide:sc= -2.62 K(o=-15,f=-26!) USER MOD Set 1.3: A 55 GLN : amide:sc= -9.56! C(o=-15!,f=-21!) USER MOD Set 2.1: A 21 ASN :FLIP amide:sc= -1.38 F(o=-6.3,f=-5.1) USER MOD Set 2.2: A 52 ASN : amide:sc= -3.72! C(o=-5.1!,f=-6.1!) USER MOD Single : A 4 LYS NZ :NH3+ -117:sc= -0.555 (180deg=-2.21!) USER MOD Single : A 6 ASN : amide:sc= -1.29 X(o=-1.3,f=-1.5) USER MOD Single : A 7 LYS NZ :NH3+ 141:sc= -2.5 (180deg=-2.76!) USER MOD Single : A 17 MET CE :methyl 174:sc= -10.1! (180deg=-10.7!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot -46:sc= 1.23 USER MOD Single : A 40 GLN :FLIP amide:sc= -0.089 F(o=-0.9,f=-0.089) USER MOD Single : A 41 SER OG : rot 136:sc= -1.15 USER MOD Single : A 43 ASN : amide:sc= -0.622 K(o=-0.62,f=-1.2) USER MOD Single : A 49 LYS NZ :NH3+ -148:sc= 0.325 (180deg=0.0404) USER MOD Single : A 50 LYS NZ :NH3+ -107:sc= -1.39 (180deg=-2.05!) USER MOD ----------------------------------------------------------------- ATOM 45 N LYS A 4 -0.816 -13.321 8.995 1.00 0.00 N ATOM 46 CA LYS A 4 0.377 -12.805 8.319 1.00 0.00 C ATOM 47 C LYS A 4 0.115 -11.424 7.735 1.00 0.00 C ATOM 48 O LYS A 4 0.958 -10.867 7.026 1.00 0.00 O ATOM 49 CB LYS A 4 0.813 -13.752 7.195 1.00 0.00 C ATOM 50 CG LYS A 4 1.072 -15.159 7.755 1.00 0.00 C ATOM 51 CD LYS A 4 1.759 -16.031 6.691 1.00 0.00 C ATOM 52 CE LYS A 4 0.829 -16.240 5.485 1.00 0.00 C ATOM 53 NZ LYS A 4 1.037 -15.142 4.494 1.00 0.00 N ATOM 0 HA LYS A 4 1.172 -12.734 9.061 1.00 0.00 H new ATOM 0 HB2 LYS A 4 0.041 -13.795 6.427 1.00 0.00 H new ATOM 0 HB3 LYS A 4 1.716 -13.371 6.719 1.00 0.00 H new ATOM 0 HG2 LYS A 4 1.699 -15.095 8.645 1.00 0.00 H new ATOM 0 HG3 LYS A 4 0.131 -15.617 8.060 1.00 0.00 H new ATOM 0 HD2 LYS A 4 2.685 -15.557 6.366 1.00 0.00 H new ATOM 0 HD3 LYS A 4 2.029 -16.995 7.121 1.00 0.00 H new ATOM 0 HE2 LYS A 4 1.031 -17.205 5.021 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -0.210 -16.255 5.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 0.159 -14.594 4.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 1.799 -14.516 4.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 1.298 -15.550 3.574 1.00 0.00 H new ATOM 67 N PHE A 5 -1.065 -10.893 8.021 1.00 0.00 N ATOM 68 CA PHE A 5 -1.463 -9.593 7.510 1.00 0.00 C ATOM 69 C PHE A 5 -0.479 -8.499 7.865 1.00 0.00 C ATOM 70 O PHE A 5 0.009 -7.801 6.994 1.00 0.00 O ATOM 71 CB PHE A 5 -2.778 -9.178 8.157 1.00 0.00 C ATOM 72 CG PHE A 5 -3.966 -9.766 7.448 1.00 0.00 C ATOM 73 CD1 PHE A 5 -4.004 -11.132 7.130 1.00 0.00 C ATOM 74 CD2 PHE A 5 -5.048 -8.937 7.128 1.00 0.00 C ATOM 75 CE1 PHE A 5 -5.131 -11.658 6.484 1.00 0.00 C ATOM 76 CE2 PHE A 5 -6.167 -9.460 6.486 1.00 0.00 C ATOM 77 CZ PHE A 5 -6.212 -10.817 6.162 1.00 0.00 C ATOM 0 H PHE A 5 -1.765 -11.347 8.607 1.00 0.00 H new ATOM 0 HA PHE A 5 -1.528 -9.700 6.427 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -2.785 -9.495 9.200 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -2.856 -8.091 8.154 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -3.172 -11.773 7.381 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -5.014 -7.887 7.380 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -5.170 -12.708 6.234 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -6.999 -8.817 6.239 1.00 0.00 H new ATOM 0 HZ PHE A 5 -7.079 -11.223 5.663 1.00 0.00 H new ATOM 87 N ASN A 6 -0.235 -8.327 9.160 1.00 0.00 N ATOM 88 CA ASN A 6 0.636 -7.254 9.613 1.00 0.00 C ATOM 89 C ASN A 6 2.015 -7.328 8.994 1.00 0.00 C ATOM 90 O ASN A 6 2.498 -6.333 8.480 1.00 0.00 O ATOM 91 CB ASN A 6 0.765 -7.285 11.132 1.00 0.00 C ATOM 92 CG ASN A 6 1.033 -8.709 11.624 1.00 0.00 C ATOM 93 OD1 ASN A 6 2.185 -9.131 11.713 1.00 0.00 O ATOM 94 ND2 ASN A 6 0.028 -9.478 11.946 1.00 0.00 N ATOM 0 H ASN A 6 -0.623 -8.908 9.903 1.00 0.00 H new ATOM 0 HA ASN A 6 0.176 -6.319 9.294 1.00 0.00 H new ATOM 0 HB2 ASN A 6 1.576 -6.628 11.446 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -0.149 -6.904 11.587 1.00 0.00 H new ATOM 0 HD21 ASN A 6 0.198 -10.430 12.272 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -0.927 -9.127 11.872 1.00 0.00 H new ATOM 101 N LYS A 7 2.631 -8.501 9.022 1.00 0.00 N ATOM 102 CA LYS A 7 3.958 -8.658 8.450 1.00 0.00 C ATOM 103 C LYS A 7 3.945 -8.320 6.965 1.00 0.00 C ATOM 104 O LYS A 7 4.862 -7.675 6.464 1.00 0.00 O ATOM 105 CB LYS A 7 4.452 -10.087 8.678 1.00 0.00 C ATOM 106 CG LYS A 7 5.902 -10.246 8.179 1.00 0.00 C ATOM 107 CD LYS A 7 6.882 -9.574 9.161 1.00 0.00 C ATOM 108 CE LYS A 7 7.329 -8.209 8.618 1.00 0.00 C ATOM 109 NZ LYS A 7 8.064 -8.393 7.334 1.00 0.00 N ATOM 0 H LYS A 7 2.238 -9.349 9.430 1.00 0.00 H new ATOM 0 HA LYS A 7 4.642 -7.967 8.944 1.00 0.00 H new ATOM 0 HB2 LYS A 7 4.398 -10.331 9.739 1.00 0.00 H new ATOM 0 HB3 LYS A 7 3.803 -10.790 8.156 1.00 0.00 H new ATOM 0 HG2 LYS A 7 6.145 -11.304 8.078 1.00 0.00 H new ATOM 0 HG3 LYS A 7 6.004 -9.800 7.190 1.00 0.00 H new ATOM 0 HD2 LYS A 7 6.404 -9.448 10.133 1.00 0.00 H new ATOM 0 HD3 LYS A 7 7.751 -10.214 9.314 1.00 0.00 H new ATOM 0 HE2 LYS A 7 6.462 -7.567 8.463 1.00 0.00 H new ATOM 0 HE3 LYS A 7 7.969 -7.710 9.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 7.805 -7.632 6.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 9.088 -8.363 7.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 7.812 -9.313 6.918 1.00 0.00 H new ATOM 123 N GLU A 8 2.886 -8.737 6.281 1.00 0.00 N ATOM 124 CA GLU A 8 2.737 -8.465 4.857 1.00 0.00 C ATOM 125 C GLU A 8 2.401 -6.988 4.645 1.00 0.00 C ATOM 126 O GLU A 8 2.826 -6.369 3.668 1.00 0.00 O ATOM 127 CB GLU A 8 1.627 -9.379 4.320 1.00 0.00 C ATOM 128 CG GLU A 8 1.508 -9.254 2.801 1.00 0.00 C ATOM 129 CD GLU A 8 1.056 -10.581 2.177 1.00 0.00 C ATOM 130 OE1 GLU A 8 0.202 -11.239 2.755 1.00 0.00 O ATOM 131 OE2 GLU A 8 1.562 -10.915 1.118 1.00 0.00 O ATOM 0 H GLU A 8 2.116 -9.266 6.691 1.00 0.00 H new ATOM 0 HA GLU A 8 3.663 -8.667 4.319 1.00 0.00 H new ATOM 0 HB2 GLU A 8 1.840 -10.414 4.589 1.00 0.00 H new ATOM 0 HB3 GLU A 8 0.677 -9.118 4.786 1.00 0.00 H new ATOM 0 HG2 GLU A 8 0.795 -8.468 2.551 1.00 0.00 H new ATOM 0 HG3 GLU A 8 2.469 -8.958 2.380 1.00 0.00 H new ATOM 138 N ARG A 9 1.637 -6.446 5.588 1.00 0.00 N ATOM 139 CA ARG A 9 1.213 -5.063 5.574 1.00 0.00 C ATOM 140 C ARG A 9 2.347 -4.114 5.943 1.00 0.00 C ATOM 141 O ARG A 9 2.378 -3.010 5.444 1.00 0.00 O ATOM 142 CB ARG A 9 0.014 -4.868 6.509 1.00 0.00 C ATOM 143 CG ARG A 9 -1.232 -5.485 5.853 1.00 0.00 C ATOM 144 CD ARG A 9 -2.429 -5.461 6.809 1.00 0.00 C ATOM 145 NE ARG A 9 -3.149 -4.191 6.697 1.00 0.00 N ATOM 146 CZ ARG A 9 -2.610 -3.049 7.103 1.00 0.00 C ATOM 147 NH1 ARG A 9 -2.439 -2.822 8.374 1.00 0.00 N ATOM 148 NH2 ARG A 9 -2.249 -2.154 6.230 1.00 0.00 N ATOM 0 H ARG A 9 1.293 -6.969 6.393 1.00 0.00 H new ATOM 0 HA ARG A 9 0.912 -4.819 4.555 1.00 0.00 H new ATOM 0 HB2 ARG A 9 0.206 -5.340 7.472 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -0.147 -3.807 6.700 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -1.478 -4.936 4.944 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -1.020 -6.512 5.557 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -3.101 -6.288 6.581 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -2.086 -5.602 7.834 1.00 0.00 H new ATOM 0 HE ARG A 9 -4.087 -4.184 6.297 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -2.720 -3.523 9.060 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -2.024 -1.943 8.684 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -2.381 -2.331 5.234 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -1.835 -1.276 6.542 1.00 0.00 H new ATOM 162 N VAL A 10 3.262 -4.537 6.826 1.00 0.00 N ATOM 163 CA VAL A 10 4.381 -3.670 7.240 1.00 0.00 C ATOM 164 C VAL A 10 5.211 -3.356 6.026 1.00 0.00 C ATOM 165 O VAL A 10 5.586 -2.215 5.752 1.00 0.00 O ATOM 166 CB VAL A 10 5.342 -4.350 8.234 1.00 0.00 C ATOM 167 CG1 VAL A 10 6.376 -3.315 8.720 1.00 0.00 C ATOM 168 CG2 VAL A 10 4.601 -4.944 9.433 1.00 0.00 C ATOM 0 H VAL A 10 3.254 -5.459 7.263 1.00 0.00 H new ATOM 0 HA VAL A 10 3.936 -2.794 7.713 1.00 0.00 H new ATOM 0 HB VAL A 10 5.839 -5.172 7.719 1.00 0.00 H new ATOM 0 HG11 VAL A 10 7.061 -3.788 9.424 1.00 0.00 H new ATOM 0 HG12 VAL A 10 6.938 -2.934 7.867 1.00 0.00 H new ATOM 0 HG13 VAL A 10 5.861 -2.490 9.213 1.00 0.00 H new ATOM 0 HG21 VAL A 10 5.317 -5.413 10.107 1.00 0.00 H new ATOM 0 HG22 VAL A 10 4.070 -4.152 9.961 1.00 0.00 H new ATOM 0 HG23 VAL A 10 3.887 -5.691 9.086 1.00 0.00 H new ATOM 178 N ILE A 11 5.497 -4.421 5.324 1.00 0.00 N ATOM 179 CA ILE A 11 6.284 -4.364 4.133 1.00 0.00 C ATOM 180 C ILE A 11 5.591 -3.476 3.118 1.00 0.00 C ATOM 181 O ILE A 11 6.199 -2.601 2.512 1.00 0.00 O ATOM 182 CB ILE A 11 6.400 -5.789 3.589 1.00 0.00 C ATOM 183 CG1 ILE A 11 7.095 -6.686 4.631 1.00 0.00 C ATOM 184 CG2 ILE A 11 7.186 -5.796 2.279 1.00 0.00 C ATOM 185 CD1 ILE A 11 6.934 -8.157 4.226 1.00 0.00 C ATOM 0 H ILE A 11 5.184 -5.360 5.571 1.00 0.00 H new ATOM 0 HA ILE A 11 7.273 -3.954 4.336 1.00 0.00 H new ATOM 0 HB ILE A 11 5.400 -6.176 3.393 1.00 0.00 H new ATOM 0 HG12 ILE A 11 8.152 -6.430 4.700 1.00 0.00 H new ATOM 0 HG13 ILE A 11 6.662 -6.519 5.617 1.00 0.00 H new ATOM 0 HG21 ILE A 11 7.260 -6.817 1.905 1.00 0.00 H new ATOM 0 HG22 ILE A 11 6.673 -5.176 1.544 1.00 0.00 H new ATOM 0 HG23 ILE A 11 8.187 -5.400 2.453 1.00 0.00 H new ATOM 0 HD11 ILE A 11 7.425 -8.793 4.962 1.00 0.00 H new ATOM 0 HD12 ILE A 11 5.874 -8.408 4.179 1.00 0.00 H new ATOM 0 HD13 ILE A 11 7.388 -8.317 3.248 1.00 0.00 H new ATOM 197 N ALA A 12 4.311 -3.748 2.948 1.00 0.00 N ATOM 198 CA ALA A 12 3.476 -3.041 1.997 1.00 0.00 C ATOM 199 C ALA A 12 3.165 -1.604 2.398 1.00 0.00 C ATOM 200 O ALA A 12 3.303 -0.696 1.584 1.00 0.00 O ATOM 201 CB ALA A 12 2.192 -3.816 1.880 1.00 0.00 C ATOM 0 H ALA A 12 3.818 -4.472 3.471 1.00 0.00 H new ATOM 0 HA ALA A 12 4.016 -2.974 1.053 1.00 0.00 H new ATOM 0 HB1 ALA A 12 1.530 -3.318 1.171 1.00 0.00 H new ATOM 0 HB2 ALA A 12 2.407 -4.825 1.529 1.00 0.00 H new ATOM 0 HB3 ALA A 12 1.708 -3.867 2.855 1.00 0.00 H new ATOM 207 N ILE A 13 2.755 -1.392 3.646 1.00 0.00 N ATOM 208 CA ILE A 13 2.457 -0.055 4.112 1.00 0.00 C ATOM 209 C ILE A 13 3.726 0.761 4.013 1.00 0.00 C ATOM 210 O ILE A 13 3.710 1.919 3.632 1.00 0.00 O ATOM 211 CB ILE A 13 1.948 -0.087 5.567 1.00 0.00 C ATOM 212 CG1 ILE A 13 1.407 1.308 5.941 1.00 0.00 C ATOM 213 CG2 ILE A 13 3.085 -0.504 6.520 1.00 0.00 C ATOM 214 CD1 ILE A 13 1.803 1.688 7.367 1.00 0.00 C ATOM 0 H ILE A 13 2.625 -2.126 4.342 1.00 0.00 H new ATOM 0 HA ILE A 13 1.672 0.390 3.501 1.00 0.00 H new ATOM 0 HB ILE A 13 1.146 -0.819 5.660 1.00 0.00 H new ATOM 0 HG12 ILE A 13 1.794 2.050 5.243 1.00 0.00 H new ATOM 0 HG13 ILE A 13 0.321 1.317 5.847 1.00 0.00 H new ATOM 0 HG21 ILE A 13 2.713 -0.523 7.544 1.00 0.00 H new ATOM 0 HG22 ILE A 13 3.444 -1.496 6.246 1.00 0.00 H new ATOM 0 HG23 ILE A 13 3.904 0.212 6.445 1.00 0.00 H new ATOM 0 HD11 ILE A 13 1.408 2.676 7.603 1.00 0.00 H new ATOM 0 HD12 ILE A 13 1.394 0.957 8.065 1.00 0.00 H new ATOM 0 HD13 ILE A 13 2.890 1.702 7.451 1.00 0.00 H new ATOM 226 N GLY A 14 4.830 0.104 4.330 1.00 0.00 N ATOM 227 CA GLY A 14 6.126 0.717 4.265 1.00 0.00 C ATOM 228 C GLY A 14 6.453 1.053 2.817 1.00 0.00 C ATOM 229 O GLY A 14 7.049 2.095 2.535 1.00 0.00 O ATOM 0 H GLY A 14 4.842 -0.868 4.638 1.00 0.00 H new ATOM 0 HA2 GLY A 14 6.144 1.622 4.873 1.00 0.00 H new ATOM 0 HA3 GLY A 14 6.880 0.044 4.673 1.00 0.00 H new ATOM 233 N GLU A 15 6.038 0.168 1.891 1.00 0.00 N ATOM 234 CA GLU A 15 6.283 0.407 0.476 1.00 0.00 C ATOM 235 C GLU A 15 5.409 1.546 -0.031 1.00 0.00 C ATOM 236 O GLU A 15 5.867 2.436 -0.749 1.00 0.00 O ATOM 237 CB GLU A 15 5.896 -0.837 -0.340 1.00 0.00 C ATOM 238 CG GLU A 15 6.861 -2.001 -0.098 1.00 0.00 C ATOM 239 CD GLU A 15 7.743 -2.223 -1.331 1.00 0.00 C ATOM 240 OE1 GLU A 15 7.224 -2.680 -2.339 1.00 0.00 O ATOM 241 OE2 GLU A 15 8.925 -1.929 -1.252 1.00 0.00 O ATOM 0 H GLU A 15 5.543 -0.698 2.101 1.00 0.00 H new ATOM 0 HA GLU A 15 7.340 0.647 0.361 1.00 0.00 H new ATOM 0 HB2 GLU A 15 4.884 -1.144 -0.076 1.00 0.00 H new ATOM 0 HB3 GLU A 15 5.887 -0.587 -1.401 1.00 0.00 H new ATOM 0 HG2 GLU A 15 7.485 -1.791 0.771 1.00 0.00 H new ATOM 0 HG3 GLU A 15 6.299 -2.908 0.124 1.00 0.00 H new ATOM 248 N ILE A 16 4.132 1.474 0.333 1.00 0.00 N ATOM 249 CA ILE A 16 3.148 2.453 -0.090 1.00 0.00 C ATOM 250 C ILE A 16 3.329 3.822 0.573 1.00 0.00 C ATOM 251 O ILE A 16 3.167 4.860 -0.069 1.00 0.00 O ATOM 252 CB ILE A 16 1.749 1.862 0.114 1.00 0.00 C ATOM 253 CG1 ILE A 16 1.559 0.827 -0.997 1.00 0.00 C ATOM 254 CG2 ILE A 16 0.627 2.923 0.038 1.00 0.00 C ATOM 255 CD1 ILE A 16 0.388 -0.084 -0.691 1.00 0.00 C ATOM 0 H ILE A 16 3.756 0.736 0.928 1.00 0.00 H new ATOM 0 HA ILE A 16 3.292 2.659 -1.151 1.00 0.00 H new ATOM 0 HB ILE A 16 1.680 1.428 1.111 1.00 0.00 H new ATOM 0 HG12 ILE A 16 1.392 1.334 -1.947 1.00 0.00 H new ATOM 0 HG13 ILE A 16 2.467 0.234 -1.107 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -0.339 2.442 0.190 1.00 0.00 H new ATOM 0 HG22 ILE A 16 0.784 3.675 0.811 1.00 0.00 H new ATOM 0 HG23 ILE A 16 0.644 3.401 -0.941 1.00 0.00 H new ATOM 0 HD11 ILE A 16 0.273 -0.811 -1.495 1.00 0.00 H new ATOM 0 HD12 ILE A 16 0.570 -0.607 0.248 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -0.522 0.510 -0.606 1.00 0.00 H new ATOM 267 N MET A 17 3.653 3.815 1.857 1.00 0.00 N ATOM 268 CA MET A 17 3.847 5.057 2.602 1.00 0.00 C ATOM 269 C MET A 17 5.023 5.865 2.033 1.00 0.00 C ATOM 270 O MET A 17 5.101 7.078 2.230 1.00 0.00 O ATOM 271 CB MET A 17 4.062 4.743 4.091 1.00 0.00 C ATOM 272 CG MET A 17 2.723 4.328 4.727 1.00 0.00 C ATOM 273 SD MET A 17 1.598 5.738 4.840 1.00 0.00 S ATOM 274 CE MET A 17 0.052 4.785 4.776 1.00 0.00 C ATOM 0 H MET A 17 3.788 2.967 2.407 1.00 0.00 H new ATOM 0 HA MET A 17 2.951 5.669 2.499 1.00 0.00 H new ATOM 0 HB2 MET A 17 4.793 3.943 4.203 1.00 0.00 H new ATOM 0 HB3 MET A 17 4.465 5.617 4.603 1.00 0.00 H new ATOM 0 HG2 MET A 17 2.263 3.538 4.133 1.00 0.00 H new ATOM 0 HG3 MET A 17 2.900 3.918 5.721 1.00 0.00 H new ATOM 0 HE1 MET A 17 -0.794 5.453 4.939 1.00 0.00 H new ATOM 0 HE2 MET A 17 -0.043 4.311 3.799 1.00 0.00 H new ATOM 0 HE3 MET A 17 0.064 4.019 5.552 1.00 0.00 H new ATOM 284 N ARG A 18 5.921 5.180 1.315 1.00 0.00 N ATOM 285 CA ARG A 18 7.082 5.826 0.703 1.00 0.00 C ATOM 286 C ARG A 18 6.654 6.705 -0.472 1.00 0.00 C ATOM 287 O ARG A 18 7.244 7.757 -0.726 1.00 0.00 O ATOM 288 CB ARG A 18 8.050 4.740 0.212 1.00 0.00 C ATOM 289 CG ARG A 18 9.281 5.373 -0.450 1.00 0.00 C ATOM 290 CD ARG A 18 10.187 4.266 -0.992 1.00 0.00 C ATOM 291 NE ARG A 18 11.424 4.837 -1.522 1.00 0.00 N ATOM 292 CZ ARG A 18 12.471 5.061 -0.738 1.00 0.00 C ATOM 293 NH1 ARG A 18 12.597 6.206 -0.131 1.00 0.00 N ATOM 294 NH2 ARG A 18 13.374 4.135 -0.577 1.00 0.00 N ATOM 0 H ARG A 18 5.863 4.176 1.145 1.00 0.00 H new ATOM 0 HA ARG A 18 7.571 6.460 1.443 1.00 0.00 H new ATOM 0 HB2 ARG A 18 8.361 4.117 1.050 1.00 0.00 H new ATOM 0 HB3 ARG A 18 7.543 4.088 -0.499 1.00 0.00 H new ATOM 0 HG2 ARG A 18 8.973 6.036 -1.259 1.00 0.00 H new ATOM 0 HG3 ARG A 18 9.824 5.982 0.272 1.00 0.00 H new ATOM 0 HD2 ARG A 18 10.417 3.554 -0.199 1.00 0.00 H new ATOM 0 HD3 ARG A 18 9.669 3.713 -1.776 1.00 0.00 H new ATOM 0 HE ARG A 18 11.484 5.068 -2.514 1.00 0.00 H new ATOM 0 HH11 ARG A 18 11.891 6.931 -0.258 1.00 0.00 H new ATOM 0 HH12 ARG A 18 13.402 6.378 0.472 1.00 0.00 H new ATOM 0 HH21 ARG A 18 13.276 3.239 -1.054 1.00 0.00 H new ATOM 0 HH22 ARG A 18 14.179 4.307 0.026 1.00 0.00 H new ATOM 308 N LEU A 19 5.645 6.223 -1.192 1.00 0.00 N ATOM 309 CA LEU A 19 5.115 6.891 -2.380 1.00 0.00 C ATOM 310 C LEU A 19 4.862 8.392 -2.168 1.00 0.00 C ATOM 311 O LEU A 19 3.894 8.776 -1.507 1.00 0.00 O ATOM 312 CB LEU A 19 3.812 6.203 -2.783 1.00 0.00 C ATOM 313 CG LEU A 19 4.033 4.682 -2.848 1.00 0.00 C ATOM 314 CD1 LEU A 19 2.716 3.974 -3.140 1.00 0.00 C ATOM 315 CD2 LEU A 19 5.061 4.361 -3.934 1.00 0.00 C ATOM 0 H LEU A 19 5.167 5.350 -0.967 1.00 0.00 H new ATOM 0 HA LEU A 19 5.866 6.811 -3.166 1.00 0.00 H new ATOM 0 HB2 LEU A 19 3.027 6.437 -2.063 1.00 0.00 H new ATOM 0 HB3 LEU A 19 3.477 6.574 -3.752 1.00 0.00 H new ATOM 0 HG LEU A 19 4.409 4.331 -1.887 1.00 0.00 H new ATOM 0 HD11 LEU A 19 2.883 2.898 -3.184 1.00 0.00 H new ATOM 0 HD12 LEU A 19 2.000 4.198 -2.350 1.00 0.00 H new ATOM 0 HD13 LEU A 19 2.321 4.319 -4.096 1.00 0.00 H new ATOM 0 HD21 LEU A 19 5.217 3.283 -3.980 1.00 0.00 H new ATOM 0 HD22 LEU A 19 4.695 4.716 -4.898 1.00 0.00 H new ATOM 0 HD23 LEU A 19 6.004 4.855 -3.700 1.00 0.00 H new ATOM 327 N PRO A 20 5.706 9.242 -2.730 1.00 0.00 N ATOM 328 CA PRO A 20 5.563 10.724 -2.614 1.00 0.00 C ATOM 329 C PRO A 20 4.523 11.282 -3.589 1.00 0.00 C ATOM 330 O PRO A 20 4.096 12.430 -3.457 1.00 0.00 O ATOM 331 CB PRO A 20 6.953 11.273 -2.992 1.00 0.00 C ATOM 332 CG PRO A 20 7.812 10.095 -3.340 1.00 0.00 C ATOM 333 CD PRO A 20 6.891 8.894 -3.527 1.00 0.00 C ATOM 0 HA PRO A 20 5.232 11.007 -1.615 1.00 0.00 H new ATOM 0 HB2 PRO A 20 6.880 11.959 -3.836 1.00 0.00 H new ATOM 0 HB3 PRO A 20 7.385 11.833 -2.162 1.00 0.00 H new ATOM 0 HG2 PRO A 20 8.378 10.289 -4.251 1.00 0.00 H new ATOM 0 HG3 PRO A 20 8.537 9.902 -2.549 1.00 0.00 H new ATOM 0 HD2 PRO A 20 6.638 8.742 -4.576 1.00 0.00 H new ATOM 0 HD3 PRO A 20 7.356 7.973 -3.174 1.00 0.00 H new ATOM 341 N ASN A 21 4.158 10.478 -4.593 1.00 0.00 N ATOM 342 CA ASN A 21 3.208 10.919 -5.619 1.00 0.00 C ATOM 343 C ASN A 21 1.764 10.551 -5.284 1.00 0.00 C ATOM 344 O ASN A 21 0.904 10.482 -6.167 1.00 0.00 O ATOM 345 CB ASN A 21 3.618 10.332 -6.968 1.00 0.00 C ATOM 346 CG ASN A 21 4.915 10.984 -7.446 1.00 0.00 C ATOM 347 OD1 ASN A 21 5.796 10.270 -8.078 1.00 0.00 O flip ATOM 348 ND2 ASN A 21 5.129 12.179 -7.239 1.00 0.00 N flip ATOM 0 H ASN A 21 4.503 9.526 -4.717 1.00 0.00 H new ATOM 0 HA ASN A 21 3.242 12.008 -5.661 1.00 0.00 H new ATOM 0 HB2 ASN A 21 3.754 9.254 -6.879 1.00 0.00 H new ATOM 0 HB3 ASN A 21 2.827 10.495 -7.701 1.00 0.00 H new ATOM 0 HD21 ASN A 21 4.438 12.742 -6.743 1.00 0.00 H new ATOM 0 HD22 ASN A 21 5.997 12.605 -7.564 1.00 0.00 H new ATOM 355 N LEU A 22 1.510 10.329 -4.007 1.00 0.00 N ATOM 356 CA LEU A 22 0.176 9.989 -3.532 1.00 0.00 C ATOM 357 C LEU A 22 -0.186 10.853 -2.345 1.00 0.00 C ATOM 358 O LEU A 22 0.671 11.143 -1.505 1.00 0.00 O ATOM 359 CB LEU A 22 0.134 8.527 -3.093 1.00 0.00 C ATOM 360 CG LEU A 22 0.320 7.616 -4.303 1.00 0.00 C ATOM 361 CD1 LEU A 22 0.808 6.246 -3.842 1.00 0.00 C ATOM 362 CD2 LEU A 22 -1.014 7.458 -5.026 1.00 0.00 C ATOM 0 H LEU A 22 2.216 10.378 -3.272 1.00 0.00 H new ATOM 0 HA LEU A 22 -0.531 10.155 -4.345 1.00 0.00 H new ATOM 0 HB2 LEU A 22 0.917 8.336 -2.359 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -0.818 8.311 -2.607 1.00 0.00 H new ATOM 0 HG LEU A 22 1.055 8.055 -4.978 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.940 5.597 -4.707 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.759 6.355 -3.321 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.073 5.806 -3.167 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.884 6.808 -5.891 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.746 7.018 -4.348 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -1.367 8.435 -5.356 1.00 0.00 H new ATOM 374 N ASN A 23 -1.463 11.197 -2.227 1.00 0.00 N ATOM 375 CA ASN A 23 -1.902 11.952 -1.065 1.00 0.00 C ATOM 376 C ASN A 23 -2.094 10.939 0.028 1.00 0.00 C ATOM 377 O ASN A 23 -2.236 9.745 -0.253 1.00 0.00 O ATOM 378 CB ASN A 23 -3.193 12.752 -1.323 1.00 0.00 C ATOM 379 CG ASN A 23 -4.058 12.082 -2.380 1.00 0.00 C ATOM 380 OD1 ASN A 23 -4.819 11.172 -2.069 1.00 0.00 O ATOM 381 ND2 ASN A 23 -3.986 12.488 -3.620 1.00 0.00 N ATOM 0 H ASN A 23 -2.193 10.972 -2.902 1.00 0.00 H new ATOM 0 HA ASN A 23 -1.161 12.705 -0.798 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -3.757 12.846 -0.395 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -2.939 13.762 -1.645 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -4.565 12.048 -4.335 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -3.351 13.245 -3.873 1.00 0.00 H new ATOM 388 N SER A 24 -2.061 11.389 1.261 1.00 0.00 N ATOM 389 CA SER A 24 -2.193 10.473 2.369 1.00 0.00 C ATOM 390 C SER A 24 -3.405 9.571 2.175 1.00 0.00 C ATOM 391 O SER A 24 -3.361 8.414 2.524 1.00 0.00 O ATOM 392 CB SER A 24 -2.314 11.230 3.672 1.00 0.00 C ATOM 393 OG SER A 24 -1.193 12.091 3.827 1.00 0.00 O ATOM 0 H SER A 24 -1.946 12.369 1.520 1.00 0.00 H new ATOM 0 HA SER A 24 -1.297 9.853 2.407 1.00 0.00 H new ATOM 0 HB2 SER A 24 -3.236 11.811 3.683 1.00 0.00 H new ATOM 0 HB3 SER A 24 -2.367 10.531 4.507 1.00 0.00 H new ATOM 0 HG SER A 24 -1.273 12.583 4.671 1.00 0.00 H new ATOM 399 N LEU A 25 -4.474 10.102 1.595 1.00 0.00 N ATOM 400 CA LEU A 25 -5.676 9.307 1.358 1.00 0.00 C ATOM 401 C LEU A 25 -5.384 8.129 0.464 1.00 0.00 C ATOM 402 O LEU A 25 -5.765 7.020 0.789 1.00 0.00 O ATOM 403 CB LEU A 25 -6.735 10.154 0.671 1.00 0.00 C ATOM 404 CG LEU A 25 -7.291 11.241 1.603 1.00 0.00 C ATOM 405 CD1 LEU A 25 -6.222 12.294 1.924 1.00 0.00 C ATOM 406 CD2 LEU A 25 -8.443 11.930 0.884 1.00 0.00 C ATOM 0 H LEU A 25 -4.535 11.071 1.282 1.00 0.00 H new ATOM 0 HA LEU A 25 -6.028 8.955 2.328 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -6.308 10.620 -0.217 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -7.550 9.513 0.333 1.00 0.00 H new ATOM 0 HG LEU A 25 -7.615 10.779 2.536 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -6.644 13.051 2.585 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -5.375 11.815 2.415 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -5.887 12.766 1.000 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -8.858 12.709 1.524 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -8.079 12.377 -0.041 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -9.218 11.199 0.654 1.00 0.00 H new ATOM 418 N GLN A 26 -4.699 8.369 -0.653 1.00 0.00 N ATOM 419 CA GLN A 26 -4.359 7.299 -1.559 1.00 0.00 C ATOM 420 C GLN A 26 -3.413 6.356 -0.873 1.00 0.00 C ATOM 421 O GLN A 26 -3.581 5.145 -0.901 1.00 0.00 O ATOM 422 CB GLN A 26 -3.698 7.876 -2.773 1.00 0.00 C ATOM 423 CG GLN A 26 -4.767 8.589 -3.597 1.00 0.00 C ATOM 424 CD GLN A 26 -4.152 9.591 -4.554 1.00 0.00 C ATOM 425 OE1 GLN A 26 -3.044 10.079 -4.335 1.00 0.00 O ATOM 426 NE2 GLN A 26 -4.826 9.934 -5.605 1.00 0.00 N ATOM 0 H GLN A 26 -4.375 9.292 -0.942 1.00 0.00 H new ATOM 0 HA GLN A 26 -5.260 6.761 -1.855 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -2.912 8.573 -2.484 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -3.226 7.089 -3.361 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -5.345 7.855 -4.158 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -5.462 9.100 -2.930 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -5.744 9.524 -5.778 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -4.439 10.614 -6.259 1.00 0.00 H new ATOM 435 N VAL A 27 -2.445 6.959 -0.208 1.00 0.00 N ATOM 436 CA VAL A 27 -1.454 6.236 0.548 1.00 0.00 C ATOM 437 C VAL A 27 -2.170 5.367 1.572 1.00 0.00 C ATOM 438 O VAL A 27 -1.845 4.197 1.765 1.00 0.00 O ATOM 439 CB VAL A 27 -0.571 7.294 1.245 1.00 0.00 C ATOM 440 CG1 VAL A 27 0.204 6.718 2.420 1.00 0.00 C ATOM 441 CG2 VAL A 27 0.418 7.894 0.239 1.00 0.00 C ATOM 0 H VAL A 27 -2.328 7.972 -0.181 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.840 5.591 -0.080 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.239 8.065 1.629 1.00 0.00 H new ATOM 0 HG11 VAL A 27 0.809 7.502 2.876 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.494 6.323 3.158 1.00 0.00 H new ATOM 0 HG13 VAL A 27 0.853 5.916 2.069 1.00 0.00 H new ATOM 0 HG21 VAL A 27 1.037 8.639 0.738 1.00 0.00 H new ATOM 0 HG22 VAL A 27 1.053 7.104 -0.162 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.132 8.366 -0.575 1.00 0.00 H new ATOM 451 N VAL A 28 -3.168 5.968 2.193 1.00 0.00 N ATOM 452 CA VAL A 28 -3.995 5.288 3.182 1.00 0.00 C ATOM 453 C VAL A 28 -4.925 4.295 2.524 1.00 0.00 C ATOM 454 O VAL A 28 -5.217 3.232 3.068 1.00 0.00 O ATOM 455 CB VAL A 28 -4.725 6.287 4.059 1.00 0.00 C ATOM 456 CG1 VAL A 28 -5.550 5.533 5.107 1.00 0.00 C ATOM 457 CG2 VAL A 28 -3.656 7.115 4.772 1.00 0.00 C ATOM 0 H VAL A 28 -3.431 6.940 2.029 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.344 4.713 3.840 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.389 6.917 3.467 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -6.076 6.248 5.739 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -6.274 4.890 4.606 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -4.888 4.924 5.722 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -4.136 7.851 5.417 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -3.029 6.458 5.375 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -3.040 7.628 4.033 1.00 0.00 H new ATOM 467 N ALA A 29 -5.381 4.669 1.343 1.00 0.00 N ATOM 468 CA ALA A 29 -6.274 3.848 0.561 1.00 0.00 C ATOM 469 C ALA A 29 -5.637 2.506 0.385 1.00 0.00 C ATOM 470 O ALA A 29 -6.288 1.462 0.450 1.00 0.00 O ATOM 471 CB ALA A 29 -6.431 4.478 -0.807 1.00 0.00 C ATOM 0 H ALA A 29 -5.139 5.556 0.901 1.00 0.00 H new ATOM 0 HA ALA A 29 -7.242 3.758 1.054 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -7.103 3.870 -1.412 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -6.845 5.481 -0.700 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -5.458 4.537 -1.294 1.00 0.00 H new ATOM 477 N PHE A 30 -4.335 2.561 0.188 1.00 0.00 N ATOM 478 CA PHE A 30 -3.565 1.394 0.033 1.00 0.00 C ATOM 479 C PHE A 30 -3.477 0.664 1.327 1.00 0.00 C ATOM 480 O PHE A 30 -3.554 -0.555 1.324 1.00 0.00 O ATOM 481 CB PHE A 30 -2.198 1.763 -0.439 1.00 0.00 C ATOM 482 CG PHE A 30 -2.261 1.949 -1.915 1.00 0.00 C ATOM 483 CD1 PHE A 30 -2.465 0.847 -2.746 1.00 0.00 C ATOM 484 CD2 PHE A 30 -2.186 3.226 -2.446 1.00 0.00 C ATOM 485 CE1 PHE A 30 -2.572 1.031 -4.115 1.00 0.00 C ATOM 486 CE2 PHE A 30 -2.309 3.420 -3.799 1.00 0.00 C ATOM 487 CZ PHE A 30 -2.497 2.321 -4.652 1.00 0.00 C ATOM 0 H PHE A 30 -3.802 3.429 0.135 1.00 0.00 H new ATOM 0 HA PHE A 30 -4.039 0.744 -0.702 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -1.860 2.678 0.047 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -1.482 0.982 -0.183 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -2.539 -0.144 -2.324 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -2.030 4.072 -1.793 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -2.713 0.181 -4.766 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -2.261 4.419 -4.208 1.00 0.00 H new ATOM 0 HZ PHE A 30 -2.583 2.471 -5.718 1.00 0.00 H new ATOM 497 N ILE A 31 -3.363 1.403 2.449 1.00 0.00 N ATOM 498 CA ILE A 31 -3.308 0.719 3.736 1.00 0.00 C ATOM 499 C ILE A 31 -4.553 -0.144 3.816 1.00 0.00 C ATOM 500 O ILE A 31 -4.533 -1.273 4.315 1.00 0.00 O ATOM 501 CB ILE A 31 -3.351 1.686 4.929 1.00 0.00 C ATOM 502 CG1 ILE A 31 -2.199 2.679 4.880 1.00 0.00 C ATOM 503 CG2 ILE A 31 -3.246 0.899 6.245 1.00 0.00 C ATOM 504 CD1 ILE A 31 -2.402 3.696 6.010 1.00 0.00 C ATOM 0 H ILE A 31 -3.310 2.421 2.484 1.00 0.00 H new ATOM 0 HA ILE A 31 -2.373 0.161 3.792 1.00 0.00 H new ATOM 0 HB ILE A 31 -4.296 2.227 4.876 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -1.246 2.163 4.998 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -2.171 3.183 3.914 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -3.277 1.591 7.086 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -4.080 0.201 6.319 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -2.307 0.346 6.264 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -1.588 4.421 5.998 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -3.351 4.213 5.868 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -2.411 3.178 6.969 1.00 0.00 H new ATOM 516 N ASN A 32 -5.639 0.427 3.292 1.00 0.00 N ATOM 517 CA ASN A 32 -6.927 -0.244 3.268 1.00 0.00 C ATOM 518 C ASN A 32 -6.909 -1.459 2.350 1.00 0.00 C ATOM 519 O ASN A 32 -7.445 -2.506 2.692 1.00 0.00 O ATOM 520 CB ASN A 32 -7.997 0.736 2.780 1.00 0.00 C ATOM 521 CG ASN A 32 -9.300 0.522 3.546 1.00 0.00 C ATOM 522 OD1 ASN A 32 -9.843 -0.582 3.561 1.00 0.00 O ATOM 523 ND2 ASN A 32 -9.833 1.521 4.195 1.00 0.00 N ATOM 0 H ASN A 32 -5.645 1.359 2.878 1.00 0.00 H new ATOM 0 HA ASN A 32 -7.150 -0.584 4.279 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -7.651 1.761 2.917 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -8.168 0.597 1.712 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -10.700 1.387 4.715 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -9.382 2.436 4.182 1.00 0.00 H new ATOM 530 N SER A 33 -6.305 -1.313 1.177 1.00 0.00 N ATOM 531 CA SER A 33 -6.254 -2.406 0.227 1.00 0.00 C ATOM 532 C SER A 33 -5.506 -3.606 0.805 1.00 0.00 C ATOM 533 O SER A 33 -5.865 -4.753 0.537 1.00 0.00 O ATOM 534 CB SER A 33 -5.581 -1.935 -1.050 1.00 0.00 C ATOM 535 OG SER A 33 -6.154 -0.699 -1.461 1.00 0.00 O ATOM 0 H SER A 33 -5.849 -0.455 0.867 1.00 0.00 H new ATOM 0 HA SER A 33 -7.274 -2.723 0.008 1.00 0.00 H new ATOM 0 HB2 SER A 33 -4.510 -1.815 -0.886 1.00 0.00 H new ATOM 0 HB3 SER A 33 -5.702 -2.682 -1.834 1.00 0.00 H new ATOM 0 HG SER A 33 -5.718 -0.394 -2.284 1.00 0.00 H new ATOM 541 N LEU A 34 -4.456 -3.333 1.587 1.00 0.00 N ATOM 542 CA LEU A 34 -3.658 -4.422 2.184 1.00 0.00 C ATOM 543 C LEU A 34 -4.530 -5.306 3.076 1.00 0.00 C ATOM 544 O LEU A 34 -4.472 -6.527 2.996 1.00 0.00 O ATOM 545 CB LEU A 34 -2.491 -3.907 3.053 1.00 0.00 C ATOM 546 CG LEU A 34 -1.872 -2.616 2.509 1.00 0.00 C ATOM 547 CD1 LEU A 34 -0.586 -2.290 3.278 1.00 0.00 C ATOM 548 CD2 LEU A 34 -1.545 -2.758 1.022 1.00 0.00 C ATOM 0 H LEU A 34 -4.140 -2.392 1.821 1.00 0.00 H new ATOM 0 HA LEU A 34 -3.255 -4.983 1.341 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -2.849 -3.734 4.068 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.721 -4.677 3.113 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.594 -1.810 2.638 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -0.151 -1.371 2.886 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -0.817 -2.160 4.335 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.126 -3.107 3.160 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.106 -1.830 0.656 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.837 -3.574 0.882 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.459 -2.971 0.467 1.00 0.00 H new ATOM 560 N ARG A 35 -5.338 -4.678 3.926 1.00 0.00 N ATOM 561 CA ARG A 35 -6.225 -5.428 4.820 1.00 0.00 C ATOM 562 C ARG A 35 -7.367 -6.042 4.032 1.00 0.00 C ATOM 563 O ARG A 35 -7.807 -7.157 4.323 1.00 0.00 O ATOM 564 CB ARG A 35 -6.759 -4.540 5.943 1.00 0.00 C ATOM 565 CG ARG A 35 -7.362 -3.249 5.380 1.00 0.00 C ATOM 566 CD ARG A 35 -8.005 -2.431 6.508 1.00 0.00 C ATOM 567 NE ARG A 35 -9.241 -3.069 6.960 1.00 0.00 N ATOM 568 CZ ARG A 35 -10.209 -3.382 6.102 1.00 0.00 C ATOM 569 NH1 ARG A 35 -10.985 -2.451 5.626 1.00 0.00 N ATOM 570 NH2 ARG A 35 -10.373 -4.619 5.732 1.00 0.00 N ATOM 0 H ARG A 35 -5.400 -3.664 4.017 1.00 0.00 H new ATOM 0 HA ARG A 35 -5.646 -6.229 5.279 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -7.515 -5.081 6.512 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -5.952 -4.298 6.635 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -6.587 -2.660 4.890 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -8.108 -3.487 4.622 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -7.309 -2.340 7.342 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -8.217 -1.421 6.158 1.00 0.00 H new ATOM 0 HE ARG A 35 -9.363 -3.278 7.951 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -10.851 -1.481 5.911 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -11.727 -2.692 4.968 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -9.760 -5.347 6.100 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -11.114 -4.861 5.075 1.00 0.00 H new ATOM 584 N ASP A 36 -7.809 -5.318 3.009 1.00 0.00 N ATOM 585 CA ASP A 36 -8.865 -5.798 2.139 1.00 0.00 C ATOM 586 C ASP A 36 -8.337 -7.004 1.377 1.00 0.00 C ATOM 587 O ASP A 36 -9.106 -7.819 0.863 1.00 0.00 O ATOM 588 CB ASP A 36 -9.282 -4.693 1.152 1.00 0.00 C ATOM 589 CG ASP A 36 -9.913 -3.493 1.878 1.00 0.00 C ATOM 590 OD1 ASP A 36 -10.389 -3.658 2.991 1.00 0.00 O ATOM 591 OD2 ASP A 36 -9.910 -2.418 1.299 1.00 0.00 O ATOM 0 H ASP A 36 -7.448 -4.395 2.766 1.00 0.00 H new ATOM 0 HA ASP A 36 -9.739 -6.076 2.728 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -8.411 -4.360 0.588 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -9.993 -5.098 0.431 1.00 0.00 H new ATOM 596 N ASP A 37 -7.000 -7.092 1.316 1.00 0.00 N ATOM 597 CA ASP A 37 -6.332 -8.184 0.615 1.00 0.00 C ATOM 598 C ASP A 37 -4.812 -8.141 0.853 1.00 0.00 C ATOM 599 O ASP A 37 -4.092 -7.410 0.164 1.00 0.00 O ATOM 600 CB ASP A 37 -6.620 -8.076 -0.887 1.00 0.00 C ATOM 601 CG ASP A 37 -6.356 -9.418 -1.574 1.00 0.00 C ATOM 602 OD1 ASP A 37 -5.317 -10.002 -1.313 1.00 0.00 O ATOM 603 OD2 ASP A 37 -7.196 -9.840 -2.350 1.00 0.00 O ATOM 0 H ASP A 37 -6.366 -6.418 1.745 1.00 0.00 H new ATOM 0 HA ASP A 37 -6.714 -9.129 1.000 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -7.656 -7.776 -1.045 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -5.993 -7.303 -1.330 1.00 0.00 H new ATOM 608 N PRO A 38 -4.310 -8.901 1.807 1.00 0.00 N ATOM 609 CA PRO A 38 -2.852 -8.936 2.122 1.00 0.00 C ATOM 610 C PRO A 38 -2.041 -9.654 1.048 1.00 0.00 C ATOM 611 O PRO A 38 -0.908 -9.274 0.766 1.00 0.00 O ATOM 612 CB PRO A 38 -2.751 -9.676 3.462 1.00 0.00 C ATOM 613 CG PRO A 38 -4.142 -10.025 3.875 1.00 0.00 C ATOM 614 CD PRO A 38 -5.068 -9.803 2.681 1.00 0.00 C ATOM 0 HA PRO A 38 -2.440 -7.928 2.167 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -2.142 -10.574 3.361 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -2.272 -9.049 4.214 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -4.191 -11.063 4.205 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -4.454 -9.407 4.717 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -5.303 -10.741 2.179 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -6.015 -9.359 2.988 1.00 0.00 H new ATOM 622 N SER A 39 -2.633 -10.681 0.433 1.00 0.00 N ATOM 623 CA SER A 39 -1.941 -11.419 -0.619 1.00 0.00 C ATOM 624 C SER A 39 -1.664 -10.480 -1.780 1.00 0.00 C ATOM 625 O SER A 39 -0.708 -10.665 -2.536 1.00 0.00 O ATOM 626 CB SER A 39 -2.778 -12.619 -1.085 1.00 0.00 C ATOM 627 OG SER A 39 -3.869 -12.172 -1.878 1.00 0.00 O ATOM 0 H SER A 39 -3.574 -11.014 0.643 1.00 0.00 H new ATOM 0 HA SER A 39 -0.999 -11.804 -0.228 1.00 0.00 H new ATOM 0 HB2 SER A 39 -2.156 -13.305 -1.661 1.00 0.00 H new ATOM 0 HB3 SER A 39 -3.148 -13.172 -0.222 1.00 0.00 H new ATOM 0 HG SER A 39 -4.301 -11.409 -1.440 1.00 0.00 H new ATOM 633 N GLN A 40 -2.509 -9.453 -1.889 1.00 0.00 N ATOM 634 CA GLN A 40 -2.366 -8.454 -2.930 1.00 0.00 C ATOM 635 C GLN A 40 -1.586 -7.246 -2.417 1.00 0.00 C ATOM 636 O GLN A 40 -1.424 -6.269 -3.139 1.00 0.00 O ATOM 637 CB GLN A 40 -3.743 -8.013 -3.437 1.00 0.00 C ATOM 638 CG GLN A 40 -4.386 -9.148 -4.249 1.00 0.00 C ATOM 639 CD GLN A 40 -5.757 -8.727 -4.784 1.00 0.00 C ATOM 640 OE1 GLN A 40 -6.289 -7.592 -4.411 1.00 0.00 O flip ATOM 641 NE2 GLN A 40 -6.367 -9.461 -5.560 1.00 0.00 N flip ATOM 0 H GLN A 40 -3.299 -9.298 -1.263 1.00 0.00 H new ATOM 0 HA GLN A 40 -1.811 -8.899 -3.756 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -4.383 -7.748 -2.595 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -3.644 -7.121 -4.056 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -3.735 -9.421 -5.080 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -4.492 -10.034 -3.623 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -5.956 -10.347 -5.854 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -7.284 -9.184 -5.910 1.00 0.00 H new ATOM 650 N SER A 41 -1.071 -7.323 -1.181 1.00 0.00 N ATOM 651 CA SER A 41 -0.286 -6.220 -0.623 1.00 0.00 C ATOM 652 C SER A 41 0.845 -5.919 -1.590 1.00 0.00 C ATOM 653 O SER A 41 1.240 -4.779 -1.759 1.00 0.00 O ATOM 654 CB SER A 41 0.286 -6.598 0.759 1.00 0.00 C ATOM 655 OG SER A 41 1.386 -7.481 0.581 1.00 0.00 O ATOM 0 H SER A 41 -1.183 -8.125 -0.560 1.00 0.00 H new ATOM 0 HA SER A 41 -0.921 -5.344 -0.489 1.00 0.00 H new ATOM 0 HB2 SER A 41 0.605 -5.702 1.292 1.00 0.00 H new ATOM 0 HB3 SER A 41 -0.483 -7.074 1.367 1.00 0.00 H new ATOM 0 HG SER A 41 2.121 -7.211 1.170 1.00 0.00 H new ATOM 661 N ALA A 42 1.320 -6.989 -2.229 1.00 0.00 N ATOM 662 CA ALA A 42 2.391 -6.937 -3.218 1.00 0.00 C ATOM 663 C ALA A 42 1.969 -6.173 -4.467 1.00 0.00 C ATOM 664 O ALA A 42 2.735 -5.412 -5.057 1.00 0.00 O ATOM 665 CB ALA A 42 2.704 -8.362 -3.652 1.00 0.00 C ATOM 0 H ALA A 42 0.963 -7.931 -2.069 1.00 0.00 H new ATOM 0 HA ALA A 42 3.247 -6.437 -2.764 1.00 0.00 H new ATOM 0 HB1 ALA A 42 3.503 -8.349 -4.393 1.00 0.00 H new ATOM 0 HB2 ALA A 42 3.020 -8.945 -2.787 1.00 0.00 H new ATOM 0 HB3 ALA A 42 1.813 -8.814 -4.088 1.00 0.00 H new ATOM 671 N ASN A 43 0.743 -6.422 -4.872 1.00 0.00 N ATOM 672 CA ASN A 43 0.163 -5.803 -6.040 1.00 0.00 C ATOM 673 C ASN A 43 -0.160 -4.354 -5.782 1.00 0.00 C ATOM 674 O ASN A 43 -0.145 -3.516 -6.673 1.00 0.00 O ATOM 675 CB ASN A 43 -1.138 -6.507 -6.318 1.00 0.00 C ATOM 676 CG ASN A 43 -0.908 -7.933 -6.821 1.00 0.00 C ATOM 677 OD1 ASN A 43 0.195 -8.284 -7.243 1.00 0.00 O ATOM 678 ND2 ASN A 43 -1.896 -8.783 -6.799 1.00 0.00 N ATOM 0 H ASN A 43 0.115 -7.067 -4.393 1.00 0.00 H new ATOM 0 HA ASN A 43 0.868 -5.871 -6.869 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -1.740 -6.533 -5.410 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -1.705 -5.945 -7.060 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -1.755 -9.737 -7.131 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -2.810 -8.494 -6.450 1.00 0.00 H new ATOM 685 N LEU A 44 -0.555 -4.120 -4.553 1.00 0.00 N ATOM 686 CA LEU A 44 -1.006 -2.821 -4.124 1.00 0.00 C ATOM 687 C LEU A 44 0.068 -1.775 -4.164 1.00 0.00 C ATOM 688 O LEU A 44 -0.199 -0.681 -4.636 1.00 0.00 O ATOM 689 CB LEU A 44 -1.636 -2.964 -2.758 1.00 0.00 C ATOM 690 CG LEU A 44 -2.932 -3.755 -2.960 1.00 0.00 C ATOM 691 CD1 LEU A 44 -3.428 -4.362 -1.649 1.00 0.00 C ATOM 692 CD2 LEU A 44 -3.981 -2.827 -3.551 1.00 0.00 C ATOM 0 H LEU A 44 -0.572 -4.830 -3.821 1.00 0.00 H new ATOM 0 HA LEU A 44 -1.752 -2.457 -4.830 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -0.966 -3.485 -2.074 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -1.842 -1.987 -2.321 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.741 -4.583 -3.643 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -4.349 -4.916 -1.830 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -2.671 -5.037 -1.251 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -3.619 -3.566 -0.929 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -4.910 -3.377 -3.701 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -4.157 -1.995 -2.869 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -3.629 -2.442 -4.508 1.00 0.00 H new ATOM 704 N LEU A 45 1.289 -2.091 -3.749 1.00 0.00 N ATOM 705 CA LEU A 45 2.335 -1.067 -3.881 1.00 0.00 C ATOM 706 C LEU A 45 2.564 -0.912 -5.356 1.00 0.00 C ATOM 707 O LEU A 45 2.881 0.149 -5.819 1.00 0.00 O ATOM 708 CB LEU A 45 3.716 -1.283 -3.202 1.00 0.00 C ATOM 709 CG LEU A 45 3.802 -2.516 -2.332 1.00 0.00 C ATOM 710 CD1 LEU A 45 2.728 -2.478 -1.250 1.00 0.00 C ATOM 711 CD2 LEU A 45 3.690 -3.737 -3.230 1.00 0.00 C ATOM 0 H LEU A 45 1.575 -2.982 -3.344 1.00 0.00 H new ATOM 0 HA LEU A 45 1.946 -0.203 -3.343 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.481 -1.346 -3.976 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.948 -0.408 -2.594 1.00 0.00 H new ATOM 0 HG LEU A 45 4.757 -2.559 -1.809 1.00 0.00 H new ATOM 0 HD11 LEU A 45 2.803 -3.373 -0.632 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.869 -1.594 -0.628 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.743 -2.440 -1.716 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.750 -4.641 -2.624 1.00 0.00 H new ATOM 0 HD22 LEU A 45 2.736 -3.715 -3.756 1.00 0.00 H new ATOM 0 HD23 LEU A 45 4.504 -3.732 -3.955 1.00 0.00 H new ATOM 723 N ALA A 46 2.389 -2.011 -6.086 1.00 0.00 N ATOM 724 CA ALA A 46 2.559 -1.986 -7.528 1.00 0.00 C ATOM 725 C ALA A 46 1.549 -1.015 -8.105 1.00 0.00 C ATOM 726 O ALA A 46 1.881 -0.156 -8.911 1.00 0.00 O ATOM 727 CB ALA A 46 2.296 -3.370 -8.105 1.00 0.00 C ATOM 0 H ALA A 46 2.132 -2.921 -5.703 1.00 0.00 H new ATOM 0 HA ALA A 46 3.576 -1.682 -7.776 1.00 0.00 H new ATOM 0 HB1 ALA A 46 2.425 -3.344 -9.187 1.00 0.00 H new ATOM 0 HB2 ALA A 46 2.998 -4.084 -7.673 1.00 0.00 H new ATOM 0 HB3 ALA A 46 1.277 -3.675 -7.869 1.00 0.00 H new ATOM 733 N GLU A 47 0.321 -1.142 -7.612 1.00 0.00 N ATOM 734 CA GLU A 47 -0.768 -0.281 -7.992 1.00 0.00 C ATOM 735 C GLU A 47 -0.429 1.119 -7.552 1.00 0.00 C ATOM 736 O GLU A 47 -0.523 2.070 -8.300 1.00 0.00 O ATOM 737 CB GLU A 47 -2.012 -0.758 -7.241 1.00 0.00 C ATOM 738 CG GLU A 47 -2.865 -1.663 -8.129 1.00 0.00 C ATOM 739 CD GLU A 47 -3.663 -2.638 -7.262 1.00 0.00 C ATOM 740 OE1 GLU A 47 -3.102 -3.653 -6.874 1.00 0.00 O ATOM 741 OE2 GLU A 47 -4.819 -2.355 -6.993 1.00 0.00 O ATOM 0 H GLU A 47 0.062 -1.856 -6.931 1.00 0.00 H new ATOM 0 HA GLU A 47 -0.941 -0.301 -9.068 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.715 -1.298 -6.342 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -2.600 0.101 -6.918 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -3.543 -1.060 -8.733 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -2.228 -2.215 -8.820 1.00 0.00 H new ATOM 748 N ALA A 48 -0.007 1.192 -6.312 1.00 0.00 N ATOM 749 CA ALA A 48 0.384 2.435 -5.689 1.00 0.00 C ATOM 750 C ALA A 48 1.533 3.069 -6.449 1.00 0.00 C ATOM 751 O ALA A 48 1.521 4.261 -6.722 1.00 0.00 O ATOM 752 CB ALA A 48 0.795 2.155 -4.263 1.00 0.00 C ATOM 0 H ALA A 48 0.076 0.380 -5.700 1.00 0.00 H new ATOM 0 HA ALA A 48 -0.456 3.130 -5.702 1.00 0.00 H new ATOM 0 HB1 ALA A 48 1.093 3.086 -3.781 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -0.044 1.718 -3.722 1.00 0.00 H new ATOM 0 HB3 ALA A 48 1.633 1.458 -4.256 1.00 0.00 H new ATOM 758 N LYS A 49 2.503 2.247 -6.819 1.00 0.00 N ATOM 759 CA LYS A 49 3.634 2.712 -7.601 1.00 0.00 C ATOM 760 C LYS A 49 3.104 3.162 -8.955 1.00 0.00 C ATOM 761 O LYS A 49 3.562 4.159 -9.509 1.00 0.00 O ATOM 762 CB LYS A 49 4.678 1.594 -7.758 1.00 0.00 C ATOM 763 CG LYS A 49 5.441 1.409 -6.433 1.00 0.00 C ATOM 764 CD LYS A 49 6.323 0.153 -6.501 1.00 0.00 C ATOM 765 CE LYS A 49 6.870 -0.172 -5.103 1.00 0.00 C ATOM 766 NZ LYS A 49 7.674 -1.426 -5.158 1.00 0.00 N ATOM 0 H LYS A 49 2.528 1.254 -6.589 1.00 0.00 H new ATOM 0 HA LYS A 49 4.130 3.543 -7.100 1.00 0.00 H new ATOM 0 HB2 LYS A 49 4.188 0.662 -8.040 1.00 0.00 H new ATOM 0 HB3 LYS A 49 5.375 1.843 -8.559 1.00 0.00 H new ATOM 0 HG2 LYS A 49 6.058 2.285 -6.234 1.00 0.00 H new ATOM 0 HG3 LYS A 49 4.735 1.322 -5.607 1.00 0.00 H new ATOM 0 HD2 LYS A 49 5.744 -0.689 -6.880 1.00 0.00 H new ATOM 0 HD3 LYS A 49 7.147 0.313 -7.196 1.00 0.00 H new ATOM 0 HE2 LYS A 49 7.487 0.651 -4.743 1.00 0.00 H new ATOM 0 HE3 LYS A 49 6.047 -0.287 -4.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 7.589 -1.933 -4.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 7.323 -2.030 -5.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 8.672 -1.191 -5.330 1.00 0.00 H new ATOM 780 N LYS A 50 2.079 2.443 -9.449 1.00 0.00 N ATOM 781 CA LYS A 50 1.443 2.813 -10.706 1.00 0.00 C ATOM 782 C LYS A 50 0.678 4.115 -10.491 1.00 0.00 C ATOM 783 O LYS A 50 0.633 4.963 -11.367 1.00 0.00 O ATOM 784 CB LYS A 50 0.468 1.712 -11.209 1.00 0.00 C ATOM 785 CG LYS A 50 1.185 0.477 -11.822 1.00 0.00 C ATOM 786 CD LYS A 50 2.479 0.845 -12.575 1.00 0.00 C ATOM 787 CE LYS A 50 3.690 0.707 -11.636 1.00 0.00 C ATOM 788 NZ LYS A 50 4.511 1.949 -11.688 1.00 0.00 N ATOM 0 H LYS A 50 1.686 1.617 -8.998 1.00 0.00 H new ATOM 0 HA LYS A 50 2.216 2.934 -11.465 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -0.156 1.384 -10.378 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -0.198 2.143 -11.957 1.00 0.00 H new ATOM 0 HG2 LYS A 50 1.422 -0.230 -11.027 1.00 0.00 H new ATOM 0 HG3 LYS A 50 0.504 -0.029 -12.506 1.00 0.00 H new ATOM 0 HD2 LYS A 50 2.603 0.195 -13.441 1.00 0.00 H new ATOM 0 HD3 LYS A 50 2.414 1.866 -12.950 1.00 0.00 H new ATOM 0 HE2 LYS A 50 3.352 0.526 -10.616 1.00 0.00 H new ATOM 0 HE3 LYS A 50 4.294 -0.152 -11.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 5.389 1.763 -12.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 3.974 2.700 -12.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 4.744 2.252 -10.721 1.00 0.00 H new ATOM 802 N LEU A 51 0.103 4.253 -9.292 1.00 0.00 N ATOM 803 CA LEU A 51 -0.651 5.441 -8.904 1.00 0.00 C ATOM 804 C LEU A 51 0.288 6.623 -8.771 1.00 0.00 C ATOM 805 O LEU A 51 -0.006 7.731 -9.211 1.00 0.00 O ATOM 806 CB LEU A 51 -1.287 5.216 -7.529 1.00 0.00 C ATOM 807 CG LEU A 51 -2.730 4.702 -7.600 1.00 0.00 C ATOM 808 CD1 LEU A 51 -3.660 5.844 -8.033 1.00 0.00 C ATOM 809 CD2 LEU A 51 -2.845 3.484 -8.541 1.00 0.00 C ATOM 0 H LEU A 51 0.150 3.540 -8.564 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.411 5.632 -9.662 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.682 4.502 -6.970 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.270 6.153 -6.972 1.00 0.00 H new ATOM 0 HG LEU A 51 -3.035 4.363 -6.610 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -4.686 5.479 -8.083 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -3.600 6.657 -7.309 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -3.356 6.209 -9.014 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -3.880 3.143 -8.570 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.528 3.768 -9.545 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.208 2.679 -8.174 1.00 0.00 H new ATOM 821 N ASN A 52 1.418 6.350 -8.131 1.00 0.00 N ATOM 822 CA ASN A 52 2.431 7.338 -7.888 1.00 0.00 C ATOM 823 C ASN A 52 2.939 7.869 -9.211 1.00 0.00 C ATOM 824 O ASN A 52 3.026 9.076 -9.433 1.00 0.00 O ATOM 825 CB ASN A 52 3.539 6.640 -7.078 1.00 0.00 C ATOM 826 CG ASN A 52 4.936 7.104 -7.470 1.00 0.00 C ATOM 827 OD1 ASN A 52 5.455 6.727 -8.519 1.00 0.00 O ATOM 828 ND2 ASN A 52 5.584 7.879 -6.667 1.00 0.00 N ATOM 0 H ASN A 52 1.648 5.425 -7.768 1.00 0.00 H new ATOM 0 HA ASN A 52 2.053 8.193 -7.328 1.00 0.00 H new ATOM 0 HB2 ASN A 52 3.382 6.831 -6.016 1.00 0.00 H new ATOM 0 HB3 ASN A 52 3.465 5.562 -7.223 1.00 0.00 H new ATOM 0 HD21 ASN A 52 6.530 8.181 -6.902 1.00 0.00 H new ATOM 0 HD22 ASN A 52 5.150 8.190 -5.798 1.00 0.00 H new ATOM 835 N ASP A 53 3.247 6.943 -10.095 1.00 0.00 N ATOM 836 CA ASP A 53 3.724 7.288 -11.403 1.00 0.00 C ATOM 837 C ASP A 53 2.612 7.902 -12.248 1.00 0.00 C ATOM 838 O ASP A 53 2.860 8.768 -13.088 1.00 0.00 O ATOM 839 CB ASP A 53 4.267 6.036 -12.098 1.00 0.00 C ATOM 840 CG ASP A 53 5.570 5.567 -11.436 1.00 0.00 C ATOM 841 OD1 ASP A 53 6.426 6.401 -11.184 1.00 0.00 O ATOM 842 OD2 ASP A 53 5.697 4.379 -11.198 1.00 0.00 O ATOM 0 H ASP A 53 3.172 5.941 -9.922 1.00 0.00 H new ATOM 0 HA ASP A 53 4.519 8.026 -11.295 1.00 0.00 H new ATOM 0 HB2 ASP A 53 3.524 5.239 -12.054 1.00 0.00 H new ATOM 0 HB3 ASP A 53 4.445 6.248 -13.152 1.00 0.00 H new ATOM 847 N ALA A 54 1.392 7.404 -12.042 1.00 0.00 N ATOM 848 CA ALA A 54 0.236 7.862 -12.820 1.00 0.00 C ATOM 849 C ALA A 54 -0.261 9.243 -12.435 1.00 0.00 C ATOM 850 O ALA A 54 -0.655 10.029 -13.301 1.00 0.00 O ATOM 851 CB ALA A 54 -0.909 6.904 -12.581 1.00 0.00 C ATOM 0 H ALA A 54 1.178 6.688 -11.348 1.00 0.00 H new ATOM 0 HA ALA A 54 0.563 7.901 -13.859 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -1.779 7.228 -13.152 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.618 5.903 -12.899 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -1.156 6.890 -11.519 1.00 0.00 H new ATOM 857 N GLN A 55 -0.288 9.521 -11.140 1.00 0.00 N ATOM 858 CA GLN A 55 -0.793 10.793 -10.664 1.00 0.00 C ATOM 859 C GLN A 55 0.257 11.862 -10.736 1.00 0.00 C ATOM 860 O GLN A 55 -0.005 12.966 -11.220 1.00 0.00 O ATOM 861 CB GLN A 55 -1.223 10.646 -9.217 1.00 0.00 C ATOM 862 CG GLN A 55 -2.424 9.709 -9.124 1.00 0.00 C ATOM 863 CD GLN A 55 -2.699 9.388 -7.667 1.00 0.00 C ATOM 864 OE1 GLN A 55 -3.558 8.569 -7.372 1.00 0.00 O ATOM 865 NE2 GLN A 55 -2.028 9.995 -6.732 1.00 0.00 N ATOM 0 H GLN A 55 0.032 8.887 -10.408 1.00 0.00 H new ATOM 0 HA GLN A 55 -1.632 11.081 -11.298 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -0.398 10.254 -8.622 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -1.479 11.622 -8.804 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -3.299 10.175 -9.577 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -2.228 8.792 -9.679 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -1.312 10.678 -6.980 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -2.218 9.788 -5.751 1.00 0.00 H new ATOM 874 N ALA A 56 1.434 11.526 -10.210 1.00 0.00 N ATOM 875 CA ALA A 56 2.545 12.481 -10.159 1.00 0.00 C ATOM 876 C ALA A 56 1.981 13.866 -9.772 1.00 0.00 C ATOM 877 O ALA A 56 1.999 14.801 -10.578 1.00 0.00 O ATOM 878 CB ALA A 56 3.248 12.527 -11.519 1.00 0.00 C ATOM 0 H ALA A 56 1.644 10.609 -9.816 1.00 0.00 H new ATOM 0 HA ALA A 56 3.280 12.176 -9.414 1.00 0.00 H new ATOM 0 HB1 ALA A 56 4.073 13.238 -11.478 1.00 0.00 H new ATOM 0 HB2 ALA A 56 3.633 11.537 -11.763 1.00 0.00 H new ATOM 0 HB3 ALA A 56 2.538 12.839 -12.285 1.00 0.00 H new