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 40 GLN : amide:sc= -0.299 K(o=-0.43,f=-1.9) USER MOD Set 1.2: A 43 ASN :FLIP amide:sc= -0.129 F(o=-1.7,f=-0.43) USER MOD Set 2.1: A 26 GLN :FLIP amide:sc= -0.269 F(o=-4.9,f=-4) USER MOD Set 2.2: A 55 GLN : amide:sc= -3.73! C(o=-4!,f=-6!) USER MOD Set 3.1: A 21 ASN :FLIP amide:sc= -2.1 F(o=-5.5!,f=-3.6) USER MOD Set 3.2: A 52 ASN : amide:sc= -1.46 K(o=-3.6,f=-10!) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 ASN :FLIP amide:sc= -0.0401 F(o=-0.67,f=-0.04) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 MET CE :methyl -179:sc= -9.92! (180deg=-10.1!) USER MOD Single : A 23 ASN : amide:sc= -0.537 K(o=-0.54,f=-11!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -0.299 X(o=-0.3,f=-0.31) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 120:sc= -1.46 USER MOD Single : A 49 LYS NZ :NH3+ -151:sc= 0.0352 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.0847) USER MOD ----------------------------------------------------------------- ATOM 45 N LYS A 4 -0.822 -13.295 9.297 1.00 0.00 N ATOM 46 CA LYS A 4 0.384 -12.865 8.588 1.00 0.00 C ATOM 47 C LYS A 4 0.176 -11.499 7.948 1.00 0.00 C ATOM 48 O LYS A 4 1.057 -10.976 7.260 1.00 0.00 O ATOM 49 CB LYS A 4 0.750 -13.884 7.503 1.00 0.00 C ATOM 50 CG LYS A 4 0.673 -15.309 8.074 1.00 0.00 C ATOM 51 CD LYS A 4 1.551 -16.249 7.238 1.00 0.00 C ATOM 52 CE LYS A 4 3.003 -16.158 7.722 1.00 0.00 C ATOM 53 NZ LYS A 4 3.300 -17.307 8.625 1.00 0.00 N ATOM 0 HA LYS A 4 1.196 -12.796 9.312 1.00 0.00 H new ATOM 0 HB2 LYS A 4 0.071 -13.785 6.656 1.00 0.00 H new ATOM 0 HB3 LYS A 4 1.755 -13.686 7.131 1.00 0.00 H new ATOM 0 HG2 LYS A 4 1.005 -15.313 9.112 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -0.359 -15.658 8.068 1.00 0.00 H new ATOM 0 HD2 LYS A 4 1.191 -17.274 7.326 1.00 0.00 H new ATOM 0 HD3 LYS A 4 1.490 -15.979 6.184 1.00 0.00 H new ATOM 0 HE2 LYS A 4 3.683 -16.166 6.870 1.00 0.00 H new ATOM 0 HE3 LYS A 4 3.164 -15.217 8.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 4.285 -17.245 8.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 2.660 -17.279 9.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 3.163 -18.199 8.108 1.00 0.00 H new ATOM 67 N PHE A 5 -1.003 -10.941 8.179 1.00 0.00 N ATOM 68 CA PHE A 5 -1.373 -9.650 7.635 1.00 0.00 C ATOM 69 C PHE A 5 -0.389 -8.558 7.992 1.00 0.00 C ATOM 70 O PHE A 5 0.080 -7.837 7.127 1.00 0.00 O ATOM 71 CB PHE A 5 -2.697 -9.206 8.243 1.00 0.00 C ATOM 72 CG PHE A 5 -3.878 -9.791 7.518 1.00 0.00 C ATOM 73 CD1 PHE A 5 -3.908 -11.151 7.179 1.00 0.00 C ATOM 74 CD2 PHE A 5 -4.959 -8.959 7.198 1.00 0.00 C ATOM 75 CE1 PHE A 5 -5.028 -11.671 6.514 1.00 0.00 C ATOM 76 CE2 PHE A 5 -6.071 -9.477 6.538 1.00 0.00 C ATOM 77 CZ PHE A 5 -6.108 -10.828 6.195 1.00 0.00 C ATOM 0 H PHE A 5 -1.729 -11.374 8.750 1.00 0.00 H new ATOM 0 HA PHE A 5 -1.412 -9.781 6.554 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -2.732 -9.504 9.291 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -2.760 -8.118 8.218 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -3.076 -11.793 7.428 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -4.930 -7.913 7.464 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -5.061 -12.717 6.247 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -6.903 -8.833 6.292 1.00 0.00 H new ATOM 0 HZ PHE A 5 -6.970 -11.229 5.682 1.00 0.00 H new ATOM 87 N ASN A 6 -0.152 -8.393 9.287 1.00 0.00 N ATOM 88 CA ASN A 6 0.689 -7.306 9.758 1.00 0.00 C ATOM 89 C ASN A 6 2.043 -7.276 9.085 1.00 0.00 C ATOM 90 O ASN A 6 2.440 -6.232 8.594 1.00 0.00 O ATOM 91 CB ASN A 6 0.900 -7.443 11.257 1.00 0.00 C ATOM 92 CG ASN A 6 -0.443 -7.538 11.977 1.00 0.00 C ATOM 93 OD1 ASN A 6 -0.969 -8.711 12.203 1.00 0.00 O flip ATOM 94 ND2 ASN A 6 -1.033 -6.519 12.332 1.00 0.00 N flip ATOM 0 H ASN A 6 -0.527 -8.993 10.022 1.00 0.00 H new ATOM 0 HA ASN A 6 0.173 -6.378 9.512 1.00 0.00 H new ATOM 0 HB2 ASN A 6 1.496 -8.331 11.467 1.00 0.00 H new ATOM 0 HB3 ASN A 6 1.461 -6.587 11.632 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -0.621 -5.603 12.155 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -1.935 -6.590 12.804 1.00 0.00 H new ATOM 101 N LYS A 7 2.737 -8.407 9.021 1.00 0.00 N ATOM 102 CA LYS A 7 4.038 -8.428 8.373 1.00 0.00 C ATOM 103 C LYS A 7 3.917 -8.094 6.898 1.00 0.00 C ATOM 104 O LYS A 7 4.725 -7.342 6.361 1.00 0.00 O ATOM 105 CB LYS A 7 4.699 -9.781 8.537 1.00 0.00 C ATOM 106 CG LYS A 7 6.107 -9.718 7.922 1.00 0.00 C ATOM 107 CD LYS A 7 7.089 -10.444 8.830 1.00 0.00 C ATOM 108 CE LYS A 7 6.940 -11.952 8.631 1.00 0.00 C ATOM 109 NZ LYS A 7 7.905 -12.669 9.512 1.00 0.00 N ATOM 0 H LYS A 7 2.428 -9.301 9.401 1.00 0.00 H new ATOM 0 HA LYS A 7 4.657 -7.671 8.854 1.00 0.00 H new ATOM 0 HB2 LYS A 7 4.759 -10.047 9.592 1.00 0.00 H new ATOM 0 HB3 LYS A 7 4.106 -10.553 8.047 1.00 0.00 H new ATOM 0 HG2 LYS A 7 6.104 -10.175 6.932 1.00 0.00 H new ATOM 0 HG3 LYS A 7 6.413 -8.680 7.793 1.00 0.00 H new ATOM 0 HD2 LYS A 7 8.109 -10.135 8.603 1.00 0.00 H new ATOM 0 HD3 LYS A 7 6.901 -10.183 9.871 1.00 0.00 H new ATOM 0 HE2 LYS A 7 5.921 -12.261 8.863 1.00 0.00 H new ATOM 0 HE3 LYS A 7 7.122 -12.211 7.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 7.803 -13.695 9.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 8.875 -12.382 9.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 7.711 -12.431 10.506 1.00 0.00 H new ATOM 123 N GLU A 8 2.895 -8.643 6.255 1.00 0.00 N ATOM 124 CA GLU A 8 2.677 -8.391 4.843 1.00 0.00 C ATOM 125 C GLU A 8 2.293 -6.931 4.642 1.00 0.00 C ATOM 126 O GLU A 8 2.673 -6.300 3.655 1.00 0.00 O ATOM 127 CB GLU A 8 1.575 -9.336 4.351 1.00 0.00 C ATOM 128 CG GLU A 8 1.429 -9.239 2.831 1.00 0.00 C ATOM 129 CD GLU A 8 1.042 -10.592 2.223 1.00 0.00 C ATOM 130 OE1 GLU A 8 0.233 -11.289 2.816 1.00 0.00 O ATOM 131 OE2 GLU A 8 1.547 -10.902 1.156 1.00 0.00 O ATOM 0 H GLU A 8 2.209 -9.262 6.688 1.00 0.00 H new ATOM 0 HA GLU A 8 3.584 -8.577 4.268 1.00 0.00 H new ATOM 0 HB2 GLU A 8 1.812 -10.361 4.635 1.00 0.00 H new ATOM 0 HB3 GLU A 8 0.629 -9.083 4.830 1.00 0.00 H new ATOM 0 HG2 GLU A 8 0.671 -8.496 2.583 1.00 0.00 H new ATOM 0 HG3 GLU A 8 2.367 -8.896 2.394 1.00 0.00 H new ATOM 138 N ARG A 9 1.547 -6.416 5.611 1.00 0.00 N ATOM 139 CA ARG A 9 1.089 -5.046 5.612 1.00 0.00 C ATOM 140 C ARG A 9 2.200 -4.065 5.984 1.00 0.00 C ATOM 141 O ARG A 9 2.202 -2.959 5.484 1.00 0.00 O ATOM 142 CB ARG A 9 -0.122 -4.893 6.542 1.00 0.00 C ATOM 143 CG ARG A 9 -1.330 -5.601 5.899 1.00 0.00 C ATOM 144 CD ARG A 9 -2.577 -5.472 6.779 1.00 0.00 C ATOM 145 NE ARG A 9 -3.254 -4.201 6.522 1.00 0.00 N ATOM 146 CZ ARG A 9 -2.812 -3.061 7.040 1.00 0.00 C ATOM 147 NH1 ARG A 9 -2.839 -2.875 8.328 1.00 0.00 N ATOM 148 NH2 ARG A 9 -2.350 -2.130 6.257 1.00 0.00 N ATOM 0 H ARG A 9 1.243 -6.950 6.425 1.00 0.00 H new ATOM 0 HA ARG A 9 0.784 -4.798 4.595 1.00 0.00 H new ATOM 0 HB2 ARG A 9 0.094 -5.326 7.519 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -0.344 -3.838 6.703 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -1.528 -5.170 4.917 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -1.098 -6.655 5.744 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -3.257 -6.300 6.580 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -2.296 -5.535 7.830 1.00 0.00 H new ATOM 0 HE ARG A 9 -4.085 -4.190 5.931 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -3.200 -3.606 8.941 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -2.499 -1.999 8.724 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -2.328 -2.277 5.248 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -2.010 -1.253 6.652 1.00 0.00 H new ATOM 162 N VAL A 10 3.132 -4.468 6.865 1.00 0.00 N ATOM 163 CA VAL A 10 4.233 -3.571 7.280 1.00 0.00 C ATOM 164 C VAL A 10 5.094 -3.286 6.082 1.00 0.00 C ATOM 165 O VAL A 10 5.460 -2.149 5.777 1.00 0.00 O ATOM 166 CB VAL A 10 5.183 -4.200 8.321 1.00 0.00 C ATOM 167 CG1 VAL A 10 6.216 -3.144 8.765 1.00 0.00 C ATOM 168 CG2 VAL A 10 4.431 -4.721 9.543 1.00 0.00 C ATOM 0 H VAL A 10 3.149 -5.391 7.299 1.00 0.00 H new ATOM 0 HA VAL A 10 3.758 -2.690 7.711 1.00 0.00 H new ATOM 0 HB VAL A 10 5.679 -5.050 7.853 1.00 0.00 H new ATOM 0 HG11 VAL A 10 6.891 -3.582 9.501 1.00 0.00 H new ATOM 0 HG12 VAL A 10 6.789 -2.810 7.900 1.00 0.00 H new ATOM 0 HG13 VAL A 10 5.699 -2.293 9.208 1.00 0.00 H new ATOM 0 HG21 VAL A 10 5.140 -5.155 10.249 1.00 0.00 H new ATOM 0 HG22 VAL A 10 3.900 -3.898 10.022 1.00 0.00 H new ATOM 0 HG23 VAL A 10 3.716 -5.483 9.233 1.00 0.00 H new ATOM 178 N ILE A 11 5.432 -4.369 5.432 1.00 0.00 N ATOM 179 CA ILE A 11 6.261 -4.332 4.271 1.00 0.00 C ATOM 180 C ILE A 11 5.579 -3.507 3.194 1.00 0.00 C ATOM 181 O ILE A 11 6.197 -2.670 2.546 1.00 0.00 O ATOM 182 CB ILE A 11 6.468 -5.774 3.806 1.00 0.00 C ATOM 183 CG1 ILE A 11 7.186 -6.569 4.919 1.00 0.00 C ATOM 184 CG2 ILE A 11 7.294 -5.796 2.522 1.00 0.00 C ATOM 185 CD1 ILE A 11 7.125 -8.070 4.602 1.00 0.00 C ATOM 0 H ILE A 11 5.133 -5.306 5.702 1.00 0.00 H new ATOM 0 HA ILE A 11 7.226 -3.873 4.486 1.00 0.00 H new ATOM 0 HB ILE A 11 5.501 -6.234 3.602 1.00 0.00 H new ATOM 0 HG12 ILE A 11 8.224 -6.246 4.999 1.00 0.00 H new ATOM 0 HG13 ILE A 11 6.716 -6.371 5.882 1.00 0.00 H new ATOM 0 HG21 ILE A 11 7.436 -6.827 2.199 1.00 0.00 H new ATOM 0 HG22 ILE A 11 6.771 -5.240 1.744 1.00 0.00 H new ATOM 0 HG23 ILE A 11 8.265 -5.336 2.706 1.00 0.00 H new ATOM 0 HD11 ILE A 11 7.632 -8.629 5.388 1.00 0.00 H new ATOM 0 HD12 ILE A 11 6.084 -8.388 4.545 1.00 0.00 H new ATOM 0 HD13 ILE A 11 7.616 -8.261 3.647 1.00 0.00 H new ATOM 197 N ALA A 12 4.295 -3.774 3.025 1.00 0.00 N ATOM 198 CA ALA A 12 3.482 -3.101 2.029 1.00 0.00 C ATOM 199 C ALA A 12 3.163 -1.654 2.388 1.00 0.00 C ATOM 200 O ALA A 12 3.319 -0.765 1.555 1.00 0.00 O ATOM 201 CB ALA A 12 2.200 -3.873 1.891 1.00 0.00 C ATOM 0 H ALA A 12 3.787 -4.465 3.576 1.00 0.00 H new ATOM 0 HA ALA A 12 4.046 -3.069 1.097 1.00 0.00 H new ATOM 0 HB1 ALA A 12 1.564 -3.392 1.148 1.00 0.00 H new ATOM 0 HB2 ALA A 12 2.421 -4.892 1.575 1.00 0.00 H new ATOM 0 HB3 ALA A 12 1.683 -3.895 2.851 1.00 0.00 H new ATOM 207 N ILE A 13 2.729 -1.412 3.624 1.00 0.00 N ATOM 208 CA ILE A 13 2.424 -0.061 4.049 1.00 0.00 C ATOM 209 C ILE A 13 3.696 0.750 3.944 1.00 0.00 C ATOM 210 O ILE A 13 3.686 1.897 3.533 1.00 0.00 O ATOM 211 CB ILE A 13 1.887 -0.045 5.494 1.00 0.00 C ATOM 212 CG1 ILE A 13 1.355 1.365 5.820 1.00 0.00 C ATOM 213 CG2 ILE A 13 3.000 -0.446 6.478 1.00 0.00 C ATOM 214 CD1 ILE A 13 1.744 1.788 7.237 1.00 0.00 C ATOM 0 H ILE A 13 2.584 -2.129 4.335 1.00 0.00 H new ATOM 0 HA ILE A 13 1.647 0.365 3.414 1.00 0.00 H new ATOM 0 HB ILE A 13 1.074 -0.765 5.591 1.00 0.00 H new ATOM 0 HG12 ILE A 13 1.753 2.082 5.101 1.00 0.00 H new ATOM 0 HG13 ILE A 13 0.270 1.380 5.718 1.00 0.00 H new ATOM 0 HG21 ILE A 13 2.609 -0.431 7.495 1.00 0.00 H new ATOM 0 HG22 ILE A 13 3.352 -1.449 6.239 1.00 0.00 H new ATOM 0 HG23 ILE A 13 3.828 0.258 6.397 1.00 0.00 H new ATOM 0 HD11 ILE A 13 1.355 2.786 7.438 1.00 0.00 H new ATOM 0 HD12 ILE A 13 1.324 1.083 7.955 1.00 0.00 H new ATOM 0 HD13 ILE A 13 2.830 1.796 7.329 1.00 0.00 H new ATOM 226 N GLY A 14 4.799 0.101 4.289 1.00 0.00 N ATOM 227 CA GLY A 14 6.095 0.715 4.218 1.00 0.00 C ATOM 228 C GLY A 14 6.425 1.028 2.765 1.00 0.00 C ATOM 229 O GLY A 14 7.015 2.068 2.465 1.00 0.00 O ATOM 0 H GLY A 14 4.809 -0.863 4.624 1.00 0.00 H new ATOM 0 HA2 GLY A 14 6.110 1.629 4.811 1.00 0.00 H new ATOM 0 HA3 GLY A 14 6.849 0.050 4.639 1.00 0.00 H new ATOM 233 N GLU A 15 6.016 0.124 1.854 1.00 0.00 N ATOM 234 CA GLU A 15 6.260 0.339 0.435 1.00 0.00 C ATOM 235 C GLU A 15 5.391 1.476 -0.085 1.00 0.00 C ATOM 236 O GLU A 15 5.851 2.348 -0.819 1.00 0.00 O ATOM 237 CB GLU A 15 5.878 -0.918 -0.356 1.00 0.00 C ATOM 238 CG GLU A 15 6.862 -2.061 -0.102 1.00 0.00 C ATOM 239 CD GLU A 15 7.842 -2.180 -1.272 1.00 0.00 C ATOM 240 OE1 GLU A 15 7.427 -2.637 -2.327 1.00 0.00 O ATOM 241 OE2 GLU A 15 8.989 -1.802 -1.100 1.00 0.00 O ATOM 0 H GLU A 15 5.526 -0.742 2.079 1.00 0.00 H new ATOM 0 HA GLU A 15 7.317 0.575 0.309 1.00 0.00 H new ATOM 0 HB2 GLU A 15 4.873 -1.233 -0.077 1.00 0.00 H new ATOM 0 HB3 GLU A 15 5.855 -0.686 -1.421 1.00 0.00 H new ATOM 0 HG2 GLU A 15 7.409 -1.882 0.824 1.00 0.00 H new ATOM 0 HG3 GLU A 15 6.319 -2.998 0.025 1.00 0.00 H new ATOM 248 N ILE A 16 4.117 1.426 0.285 1.00 0.00 N ATOM 249 CA ILE A 16 3.149 2.417 -0.145 1.00 0.00 C ATOM 250 C ILE A 16 3.356 3.784 0.512 1.00 0.00 C ATOM 251 O ILE A 16 3.189 4.824 -0.127 1.00 0.00 O ATOM 252 CB ILE A 16 1.747 1.842 0.060 1.00 0.00 C ATOM 253 CG1 ILE A 16 1.556 0.807 -1.051 1.00 0.00 C ATOM 254 CG2 ILE A 16 0.636 2.914 -0.021 1.00 0.00 C ATOM 255 CD1 ILE A 16 0.397 -0.113 -0.737 1.00 0.00 C ATOM 0 H ILE A 16 3.731 0.700 0.888 1.00 0.00 H new ATOM 0 HA ILE A 16 3.290 2.622 -1.206 1.00 0.00 H new ATOM 0 HB ILE A 16 1.667 1.412 1.058 1.00 0.00 H new ATOM 0 HG12 ILE A 16 1.377 1.314 -1.999 1.00 0.00 H new ATOM 0 HG13 ILE A 16 2.468 0.222 -1.170 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -0.335 2.444 0.132 1.00 0.00 H new ATOM 0 HG22 ILE A 16 0.800 3.667 0.750 1.00 0.00 H new ATOM 0 HG23 ILE A 16 0.659 3.388 -1.002 1.00 0.00 H new ATOM 0 HD11 ILE A 16 0.281 -0.840 -1.541 1.00 0.00 H new ATOM 0 HD12 ILE A 16 0.591 -0.636 0.200 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -0.517 0.473 -0.643 1.00 0.00 H new ATOM 267 N MET A 17 3.716 3.779 1.784 1.00 0.00 N ATOM 268 CA MET A 17 3.948 5.022 2.514 1.00 0.00 C ATOM 269 C MET A 17 5.177 5.750 1.950 1.00 0.00 C ATOM 270 O MET A 17 5.333 6.957 2.141 1.00 0.00 O ATOM 271 CB MET A 17 4.113 4.726 4.013 1.00 0.00 C ATOM 272 CG MET A 17 2.748 4.345 4.617 1.00 0.00 C ATOM 273 SD MET A 17 1.645 5.776 4.678 1.00 0.00 S ATOM 274 CE MET A 17 0.083 4.848 4.642 1.00 0.00 C ATOM 0 H MET A 17 3.855 2.932 2.335 1.00 0.00 H new ATOM 0 HA MET A 17 3.086 5.678 2.390 1.00 0.00 H new ATOM 0 HB2 MET A 17 4.826 3.914 4.157 1.00 0.00 H new ATOM 0 HB3 MET A 17 4.517 5.600 4.524 1.00 0.00 H new ATOM 0 HG2 MET A 17 2.291 3.554 4.022 1.00 0.00 H new ATOM 0 HG3 MET A 17 2.889 3.947 5.622 1.00 0.00 H new ATOM 0 HE1 MET A 17 -0.755 5.545 4.654 1.00 0.00 H new ATOM 0 HE2 MET A 17 0.039 4.244 3.736 1.00 0.00 H new ATOM 0 HE3 MET A 17 0.026 4.197 5.515 1.00 0.00 H new ATOM 284 N ARG A 18 6.030 5.001 1.238 1.00 0.00 N ATOM 285 CA ARG A 18 7.232 5.555 0.620 1.00 0.00 C ATOM 286 C ARG A 18 6.861 6.467 -0.548 1.00 0.00 C ATOM 287 O ARG A 18 7.550 7.449 -0.831 1.00 0.00 O ATOM 288 CB ARG A 18 8.098 4.392 0.123 1.00 0.00 C ATOM 289 CG ARG A 18 9.346 4.900 -0.605 1.00 0.00 C ATOM 290 CD ARG A 18 10.072 3.710 -1.234 1.00 0.00 C ATOM 291 NE ARG A 18 10.580 2.813 -0.194 1.00 0.00 N ATOM 292 CZ ARG A 18 10.171 1.549 -0.108 1.00 0.00 C ATOM 293 NH1 ARG A 18 10.431 0.711 -1.070 1.00 0.00 N ATOM 294 NH2 ARG A 18 9.511 1.150 0.942 1.00 0.00 N ATOM 0 H ARG A 18 5.904 4.002 1.078 1.00 0.00 H new ATOM 0 HA ARG A 18 7.782 6.149 1.351 1.00 0.00 H new ATOM 0 HB2 ARG A 18 8.395 3.770 0.967 1.00 0.00 H new ATOM 0 HB3 ARG A 18 7.514 3.762 -0.548 1.00 0.00 H new ATOM 0 HG2 ARG A 18 9.067 5.620 -1.374 1.00 0.00 H new ATOM 0 HG3 ARG A 18 10.005 5.418 0.092 1.00 0.00 H new ATOM 0 HD2 ARG A 18 9.392 3.167 -1.891 1.00 0.00 H new ATOM 0 HD3 ARG A 18 10.897 4.065 -1.852 1.00 0.00 H new ATOM 0 HE ARG A 18 11.262 3.164 0.479 1.00 0.00 H new ATOM 0 HH11 ARG A 18 10.949 1.022 -1.892 1.00 0.00 H new ATOM 0 HH12 ARG A 18 10.117 -0.257 -1.002 1.00 0.00 H new ATOM 0 HH21 ARG A 18 9.308 1.806 1.697 1.00 0.00 H new ATOM 0 HH22 ARG A 18 9.197 0.182 1.009 1.00 0.00 H new ATOM 308 N LEU A 19 5.777 6.098 -1.230 1.00 0.00 N ATOM 309 CA LEU A 19 5.283 6.822 -2.397 1.00 0.00 C ATOM 310 C LEU A 19 5.237 8.340 -2.157 1.00 0.00 C ATOM 311 O LEU A 19 4.414 8.830 -1.381 1.00 0.00 O ATOM 312 CB LEU A 19 3.903 6.268 -2.746 1.00 0.00 C ATOM 313 CG LEU A 19 4.006 4.731 -2.862 1.00 0.00 C ATOM 314 CD1 LEU A 19 2.633 4.102 -3.111 1.00 0.00 C ATOM 315 CD2 LEU A 19 4.974 4.385 -3.994 1.00 0.00 C ATOM 0 H LEU A 19 5.215 5.283 -0.985 1.00 0.00 H new ATOM 0 HA LEU A 19 5.967 6.674 -3.233 1.00 0.00 H new ATOM 0 HB2 LEU A 19 3.180 6.542 -1.978 1.00 0.00 H new ATOM 0 HB3 LEU A 19 3.549 6.696 -3.684 1.00 0.00 H new ATOM 0 HG LEU A 19 4.381 4.325 -1.923 1.00 0.00 H new ATOM 0 HD11 LEU A 19 2.737 3.020 -3.188 1.00 0.00 H new ATOM 0 HD12 LEU A 19 1.966 4.344 -2.283 1.00 0.00 H new ATOM 0 HD13 LEU A 19 2.216 4.493 -4.039 1.00 0.00 H new ATOM 0 HD21 LEU A 19 5.055 3.302 -4.085 1.00 0.00 H new ATOM 0 HD22 LEU A 19 4.603 4.801 -4.930 1.00 0.00 H new ATOM 0 HD23 LEU A 19 5.956 4.805 -3.774 1.00 0.00 H new ATOM 327 N PRO A 20 6.138 9.079 -2.788 1.00 0.00 N ATOM 328 CA PRO A 20 6.245 10.562 -2.623 1.00 0.00 C ATOM 329 C PRO A 20 5.153 11.362 -3.336 1.00 0.00 C ATOM 330 O PRO A 20 5.017 12.561 -3.084 1.00 0.00 O ATOM 331 CB PRO A 20 7.601 10.931 -3.251 1.00 0.00 C ATOM 332 CG PRO A 20 8.208 9.674 -3.790 1.00 0.00 C ATOM 333 CD PRO A 20 7.156 8.574 -3.727 1.00 0.00 C ATOM 0 HA PRO A 20 6.142 10.808 -1.566 1.00 0.00 H new ATOM 0 HB2 PRO A 20 7.467 11.663 -4.047 1.00 0.00 H new ATOM 0 HB3 PRO A 20 8.256 11.384 -2.507 1.00 0.00 H new ATOM 0 HG2 PRO A 20 8.542 9.823 -4.817 1.00 0.00 H new ATOM 0 HG3 PRO A 20 9.086 9.395 -3.207 1.00 0.00 H new ATOM 0 HD2 PRO A 20 6.726 8.381 -4.710 1.00 0.00 H new ATOM 0 HD3 PRO A 20 7.586 7.635 -3.377 1.00 0.00 H new ATOM 341 N ASN A 21 4.414 10.734 -4.256 1.00 0.00 N ATOM 342 CA ASN A 21 3.397 11.481 -5.011 1.00 0.00 C ATOM 343 C ASN A 21 2.028 11.389 -4.362 1.00 0.00 C ATOM 344 O ASN A 21 1.481 12.398 -3.921 1.00 0.00 O ATOM 345 CB ASN A 21 3.345 10.991 -6.469 1.00 0.00 C ATOM 346 CG ASN A 21 4.751 11.052 -7.073 1.00 0.00 C ATOM 347 OD1 ASN A 21 5.097 10.200 -7.988 1.00 0.00 O flip ATOM 348 ND2 ASN A 21 5.555 11.907 -6.701 1.00 0.00 N flip ATOM 0 H ASN A 21 4.493 9.745 -4.492 1.00 0.00 H new ATOM 0 HA ASN A 21 3.686 12.532 -5.003 1.00 0.00 H new ATOM 0 HB2 ASN A 21 2.964 9.971 -6.509 1.00 0.00 H new ATOM 0 HB3 ASN A 21 2.660 11.610 -7.049 1.00 0.00 H new ATOM 0 HD21 ASN A 21 5.288 12.579 -5.982 1.00 0.00 H new ATOM 0 HD22 ASN A 21 6.488 11.943 -7.112 1.00 0.00 H new ATOM 355 N LEU A 22 1.487 10.178 -4.325 1.00 0.00 N ATOM 356 CA LEU A 22 0.161 9.912 -3.755 1.00 0.00 C ATOM 357 C LEU A 22 -0.188 10.800 -2.578 1.00 0.00 C ATOM 358 O LEU A 22 0.667 11.150 -1.759 1.00 0.00 O ATOM 359 CB LEU A 22 0.105 8.474 -3.272 1.00 0.00 C ATOM 360 CG LEU A 22 0.200 7.545 -4.466 1.00 0.00 C ATOM 361 CD1 LEU A 22 0.720 6.198 -4.000 1.00 0.00 C ATOM 362 CD2 LEU A 22 -1.182 7.382 -5.083 1.00 0.00 C ATOM 0 H LEU A 22 1.952 9.346 -4.689 1.00 0.00 H new ATOM 0 HA LEU A 22 -0.556 10.115 -4.551 1.00 0.00 H new ATOM 0 HB2 LEU A 22 0.922 8.279 -2.578 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -0.824 8.295 -2.730 1.00 0.00 H new ATOM 0 HG LEU A 22 0.879 7.958 -5.212 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.792 5.521 -4.852 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.706 6.324 -3.552 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.036 5.780 -3.261 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.120 6.715 -5.943 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.863 6.960 -4.344 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -1.554 8.355 -5.405 1.00 0.00 H new ATOM 374 N ASN A 23 -1.477 11.091 -2.467 1.00 0.00 N ATOM 375 CA ASN A 23 -1.975 11.870 -1.354 1.00 0.00 C ATOM 376 C ASN A 23 -2.176 10.907 -0.209 1.00 0.00 C ATOM 377 O ASN A 23 -2.282 9.699 -0.435 1.00 0.00 O ATOM 378 CB ASN A 23 -3.290 12.569 -1.728 1.00 0.00 C ATOM 379 CG ASN A 23 -4.196 11.613 -2.497 1.00 0.00 C ATOM 380 OD1 ASN A 23 -4.829 10.751 -1.900 1.00 0.00 O ATOM 381 ND2 ASN A 23 -4.284 11.708 -3.794 1.00 0.00 N ATOM 0 H ASN A 23 -2.191 10.798 -3.134 1.00 0.00 H new ATOM 0 HA ASN A 23 -1.272 12.656 -1.077 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -3.796 12.914 -0.826 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -3.082 13.451 -2.334 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -4.881 11.064 -4.313 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -3.756 12.426 -4.290 1.00 0.00 H new ATOM 388 N SER A 24 -2.202 11.413 1.008 1.00 0.00 N ATOM 389 CA SER A 24 -2.355 10.540 2.156 1.00 0.00 C ATOM 390 C SER A 24 -3.537 9.605 1.985 1.00 0.00 C ATOM 391 O SER A 24 -3.477 8.470 2.400 1.00 0.00 O ATOM 392 CB SER A 24 -2.536 11.338 3.431 1.00 0.00 C ATOM 393 OG SER A 24 -3.662 12.197 3.303 1.00 0.00 O ATOM 0 H SER A 24 -2.121 12.406 1.226 1.00 0.00 H new ATOM 0 HA SER A 24 -1.441 9.950 2.228 1.00 0.00 H new ATOM 0 HB2 SER A 24 -2.675 10.664 4.277 1.00 0.00 H new ATOM 0 HB3 SER A 24 -1.640 11.925 3.635 1.00 0.00 H new ATOM 0 HG SER A 24 -3.777 12.710 4.130 1.00 0.00 H new ATOM 399 N LEU A 25 -4.603 10.082 1.366 1.00 0.00 N ATOM 400 CA LEU A 25 -5.780 9.253 1.170 1.00 0.00 C ATOM 401 C LEU A 25 -5.459 8.068 0.309 1.00 0.00 C ATOM 402 O LEU A 25 -5.799 6.960 0.667 1.00 0.00 O ATOM 403 CB LEU A 25 -6.881 10.044 0.492 1.00 0.00 C ATOM 404 CG LEU A 25 -7.167 11.348 1.246 1.00 0.00 C ATOM 405 CD1 LEU A 25 -6.173 12.449 0.845 1.00 0.00 C ATOM 406 CD2 LEU A 25 -8.566 11.799 0.866 1.00 0.00 C ATOM 0 H LEU A 25 -4.678 11.029 0.994 1.00 0.00 H new ATOM 0 HA LEU A 25 -6.110 8.918 2.153 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -6.592 10.270 -0.535 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -7.788 9.442 0.443 1.00 0.00 H new ATOM 0 HG LEU A 25 -7.073 11.174 2.318 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -6.400 13.362 1.395 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -5.159 12.126 1.080 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -6.254 12.641 -0.225 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -8.803 12.727 1.386 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -8.615 11.964 -0.210 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -9.285 11.031 1.149 1.00 0.00 H new ATOM 418 N GLN A 26 -4.786 8.305 -0.811 1.00 0.00 N ATOM 419 CA GLN A 26 -4.408 7.219 -1.689 1.00 0.00 C ATOM 420 C GLN A 26 -3.434 6.327 -0.979 1.00 0.00 C ATOM 421 O GLN A 26 -3.562 5.113 -0.982 1.00 0.00 O ATOM 422 CB GLN A 26 -3.758 7.745 -2.942 1.00 0.00 C ATOM 423 CG GLN A 26 -4.830 8.302 -3.872 1.00 0.00 C ATOM 424 CD GLN A 26 -5.637 7.160 -4.489 1.00 0.00 C ATOM 425 OE1 GLN A 26 -5.058 6.344 -5.327 1.00 0.00 O flip ATOM 426 NE2 GLN A 26 -6.821 7.004 -4.195 1.00 0.00 N flip ATOM 0 H GLN A 26 -4.496 9.231 -1.125 1.00 0.00 H new ATOM 0 HA GLN A 26 -5.307 6.666 -1.961 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -3.037 8.524 -2.692 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -3.206 6.948 -3.441 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -5.492 8.968 -3.318 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -4.366 8.896 -4.659 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -7.272 7.642 -3.540 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -7.352 6.236 -4.606 1.00 0.00 H new ATOM 435 N VAL A 27 -2.486 6.972 -0.325 1.00 0.00 N ATOM 436 CA VAL A 27 -1.477 6.286 0.439 1.00 0.00 C ATOM 437 C VAL A 27 -2.173 5.415 1.472 1.00 0.00 C ATOM 438 O VAL A 27 -1.832 4.249 1.670 1.00 0.00 O ATOM 439 CB VAL A 27 -0.612 7.368 1.120 1.00 0.00 C ATOM 440 CG1 VAL A 27 0.192 6.813 2.288 1.00 0.00 C ATOM 441 CG2 VAL A 27 0.354 7.979 0.099 1.00 0.00 C ATOM 0 H VAL A 27 -2.399 7.988 -0.313 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.847 5.650 -0.182 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.292 8.127 1.507 1.00 0.00 H new ATOM 0 HG11 VAL A 27 0.784 7.612 2.734 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.487 6.404 3.036 1.00 0.00 H new ATOM 0 HG13 VAL A 27 0.856 6.025 1.931 1.00 0.00 H new ATOM 0 HG21 VAL A 27 0.962 8.742 0.585 1.00 0.00 H new ATOM 0 HG22 VAL A 27 1.002 7.199 -0.301 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.214 8.431 -0.714 1.00 0.00 H new ATOM 451 N VAL A 28 -3.180 6.006 2.087 1.00 0.00 N ATOM 452 CA VAL A 28 -3.998 5.327 3.079 1.00 0.00 C ATOM 453 C VAL A 28 -4.919 4.315 2.430 1.00 0.00 C ATOM 454 O VAL A 28 -5.210 3.259 2.990 1.00 0.00 O ATOM 455 CB VAL A 28 -4.736 6.328 3.947 1.00 0.00 C ATOM 456 CG1 VAL A 28 -5.545 5.578 5.007 1.00 0.00 C ATOM 457 CG2 VAL A 28 -3.674 7.176 4.645 1.00 0.00 C ATOM 0 H VAL A 28 -3.456 6.973 1.914 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.343 4.762 3.742 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.410 6.943 3.351 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -6.077 6.294 5.633 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -6.263 4.920 4.518 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -4.872 4.985 5.626 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -4.160 7.914 5.284 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -3.037 6.533 5.253 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -3.067 7.686 3.897 1.00 0.00 H new ATOM 467 N ALA A 29 -5.374 4.668 1.240 1.00 0.00 N ATOM 468 CA ALA A 29 -6.264 3.834 0.467 1.00 0.00 C ATOM 469 C ALA A 29 -5.628 2.490 0.313 1.00 0.00 C ATOM 470 O ALA A 29 -6.280 1.449 0.394 1.00 0.00 O ATOM 471 CB ALA A 29 -6.422 4.443 -0.915 1.00 0.00 C ATOM 0 H ALA A 29 -5.132 5.548 0.784 1.00 0.00 H new ATOM 0 HA ALA A 29 -7.232 3.752 0.960 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -7.092 3.824 -1.511 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -6.839 5.446 -0.825 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -5.448 4.497 -1.402 1.00 0.00 H new ATOM 477 N PHE A 30 -4.325 2.539 0.117 1.00 0.00 N ATOM 478 CA PHE A 30 -3.561 1.365 -0.018 1.00 0.00 C ATOM 479 C PHE A 30 -3.475 0.659 1.290 1.00 0.00 C ATOM 480 O PHE A 30 -3.555 -0.560 1.308 1.00 0.00 O ATOM 481 CB PHE A 30 -2.192 1.715 -0.493 1.00 0.00 C ATOM 482 CG PHE A 30 -2.255 1.894 -1.970 1.00 0.00 C ATOM 483 CD1 PHE A 30 -2.434 0.788 -2.798 1.00 0.00 C ATOM 484 CD2 PHE A 30 -2.173 3.166 -2.501 1.00 0.00 C ATOM 485 CE1 PHE A 30 -2.539 0.968 -4.169 1.00 0.00 C ATOM 486 CE2 PHE A 30 -2.276 3.356 -3.858 1.00 0.00 C ATOM 487 CZ PHE A 30 -2.468 2.256 -4.710 1.00 0.00 C ATOM 0 H PHE A 30 -3.789 3.404 0.050 1.00 0.00 H new ATOM 0 HA PHE A 30 -4.040 0.707 -0.743 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -1.843 2.629 -0.012 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -1.485 0.927 -0.233 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -2.491 -0.204 -2.375 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -2.028 4.014 -1.848 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -2.675 0.115 -4.818 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -2.209 4.352 -4.270 1.00 0.00 H new ATOM 0 HZ PHE A 30 -2.560 2.404 -5.776 1.00 0.00 H new ATOM 497 N ILE A 31 -3.356 1.419 2.396 1.00 0.00 N ATOM 498 CA ILE A 31 -3.299 0.759 3.695 1.00 0.00 C ATOM 499 C ILE A 31 -4.544 -0.103 3.794 1.00 0.00 C ATOM 500 O ILE A 31 -4.524 -1.221 4.317 1.00 0.00 O ATOM 501 CB ILE A 31 -3.337 1.750 4.867 1.00 0.00 C ATOM 502 CG1 ILE A 31 -2.194 2.750 4.784 1.00 0.00 C ATOM 503 CG2 ILE A 31 -3.210 0.988 6.197 1.00 0.00 C ATOM 504 CD1 ILE A 31 -2.382 3.783 5.901 1.00 0.00 C ATOM 0 H ILE A 31 -3.301 2.437 2.412 1.00 0.00 H new ATOM 0 HA ILE A 31 -2.366 0.200 3.761 1.00 0.00 H new ATOM 0 HB ILE A 31 -4.286 2.284 4.815 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -1.236 2.242 4.893 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -2.187 3.240 3.810 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -3.237 1.695 7.026 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -4.037 0.284 6.293 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -2.266 0.444 6.216 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -1.573 4.512 5.862 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -3.336 4.292 5.769 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -2.371 3.280 6.868 1.00 0.00 H new ATOM 516 N ASN A 32 -5.629 0.458 3.258 1.00 0.00 N ATOM 517 CA ASN A 32 -6.917 -0.213 3.247 1.00 0.00 C ATOM 518 C ASN A 32 -6.906 -1.439 2.343 1.00 0.00 C ATOM 519 O ASN A 32 -7.469 -2.473 2.690 1.00 0.00 O ATOM 520 CB ASN A 32 -7.984 0.765 2.752 1.00 0.00 C ATOM 521 CG ASN A 32 -9.302 0.525 3.482 1.00 0.00 C ATOM 522 OD1 ASN A 32 -10.067 -0.364 3.111 1.00 0.00 O ATOM 523 ND2 ASN A 32 -9.610 1.267 4.508 1.00 0.00 N ATOM 0 H ASN A 32 -5.634 1.381 2.825 1.00 0.00 H new ATOM 0 HA ASN A 32 -7.136 -0.544 4.262 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -7.651 1.790 2.916 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -8.128 0.644 1.678 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -10.487 1.111 5.005 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -8.974 2.004 4.814 1.00 0.00 H new ATOM 530 N SER A 33 -6.281 -1.319 1.179 1.00 0.00 N ATOM 531 CA SER A 33 -6.232 -2.423 0.243 1.00 0.00 C ATOM 532 C SER A 33 -5.476 -3.612 0.832 1.00 0.00 C ATOM 533 O SER A 33 -5.829 -4.764 0.579 1.00 0.00 O ATOM 534 CB SER A 33 -5.571 -1.966 -1.045 1.00 0.00 C ATOM 535 OG SER A 33 -6.162 -0.746 -1.476 1.00 0.00 O ATOM 0 H SER A 33 -5.805 -0.473 0.866 1.00 0.00 H new ATOM 0 HA SER A 33 -7.252 -2.747 0.034 1.00 0.00 H new ATOM 0 HB2 SER A 33 -4.501 -1.828 -0.888 1.00 0.00 H new ATOM 0 HB3 SER A 33 -5.685 -2.729 -1.815 1.00 0.00 H new ATOM 0 HG SER A 33 -5.734 -0.451 -2.307 1.00 0.00 H new ATOM 541 N LEU A 34 -4.423 -3.325 1.604 1.00 0.00 N ATOM 542 CA LEU A 34 -3.613 -4.405 2.209 1.00 0.00 C ATOM 543 C LEU A 34 -4.476 -5.286 3.111 1.00 0.00 C ATOM 544 O LEU A 34 -4.411 -6.507 3.036 1.00 0.00 O ATOM 545 CB LEU A 34 -2.442 -3.875 3.066 1.00 0.00 C ATOM 546 CG LEU A 34 -1.843 -2.582 2.509 1.00 0.00 C ATOM 547 CD1 LEU A 34 -0.558 -2.232 3.270 1.00 0.00 C ATOM 548 CD2 LEU A 34 -1.520 -2.735 1.021 1.00 0.00 C ATOM 0 H LEU A 34 -4.111 -2.380 1.825 1.00 0.00 H new ATOM 0 HA LEU A 34 -3.209 -4.971 1.370 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -2.791 -3.700 4.084 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.664 -4.637 3.122 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.575 -1.784 2.634 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -0.137 -1.310 2.868 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -0.787 -2.096 4.327 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.164 -3.041 3.156 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.095 -1.805 0.643 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.802 -3.543 0.886 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.433 -2.966 0.472 1.00 0.00 H new ATOM 560 N ARG A 35 -5.286 -4.658 3.960 1.00 0.00 N ATOM 561 CA ARG A 35 -6.164 -5.409 4.860 1.00 0.00 C ATOM 562 C ARG A 35 -7.307 -6.032 4.081 1.00 0.00 C ATOM 563 O ARG A 35 -7.740 -7.146 4.380 1.00 0.00 O ATOM 564 CB ARG A 35 -6.686 -4.524 5.993 1.00 0.00 C ATOM 565 CG ARG A 35 -7.457 -3.317 5.444 1.00 0.00 C ATOM 566 CD ARG A 35 -7.903 -2.418 6.602 1.00 0.00 C ATOM 567 NE ARG A 35 -8.747 -1.333 6.102 1.00 0.00 N ATOM 568 CZ ARG A 35 -10.072 -1.399 6.173 1.00 0.00 C ATOM 569 NH1 ARG A 35 -10.740 -2.055 5.270 1.00 0.00 N ATOM 570 NH2 ARG A 35 -10.701 -0.805 7.145 1.00 0.00 N ATOM 0 H ARG A 35 -5.354 -3.644 4.045 1.00 0.00 H new ATOM 0 HA ARG A 35 -5.581 -6.210 5.316 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -7.336 -5.108 6.644 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -5.851 -4.179 6.603 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -6.827 -2.754 4.755 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -8.325 -3.655 4.878 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -8.452 -3.006 7.338 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -7.031 -2.006 7.109 1.00 0.00 H new ATOM 0 HE ARG A 35 -8.309 -0.509 5.690 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -10.247 -2.519 4.507 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -11.757 -2.106 5.325 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -10.177 -0.289 7.852 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -11.718 -0.855 7.200 1.00 0.00 H new ATOM 584 N ASP A 36 -7.758 -5.319 3.052 1.00 0.00 N ATOM 585 CA ASP A 36 -8.816 -5.814 2.192 1.00 0.00 C ATOM 586 C ASP A 36 -8.292 -7.030 1.446 1.00 0.00 C ATOM 587 O ASP A 36 -9.064 -7.853 0.951 1.00 0.00 O ATOM 588 CB ASP A 36 -9.235 -4.726 1.186 1.00 0.00 C ATOM 589 CG ASP A 36 -9.888 -3.524 1.887 1.00 0.00 C ATOM 590 OD1 ASP A 36 -10.295 -3.655 3.032 1.00 0.00 O ATOM 591 OD2 ASP A 36 -9.967 -2.481 1.259 1.00 0.00 O ATOM 0 H ASP A 36 -7.404 -4.397 2.798 1.00 0.00 H new ATOM 0 HA ASP A 36 -9.687 -6.083 2.790 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -8.361 -4.391 0.628 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -9.933 -5.148 0.463 1.00 0.00 H new ATOM 596 N ASP A 37 -6.956 -7.118 1.376 1.00 0.00 N ATOM 597 CA ASP A 37 -6.295 -8.221 0.687 1.00 0.00 C ATOM 598 C ASP A 37 -4.773 -8.172 0.902 1.00 0.00 C ATOM 599 O ASP A 37 -4.061 -7.466 0.180 1.00 0.00 O ATOM 600 CB ASP A 37 -6.605 -8.138 -0.815 1.00 0.00 C ATOM 601 CG ASP A 37 -6.301 -9.474 -1.504 1.00 0.00 C ATOM 602 OD1 ASP A 37 -5.274 -10.066 -1.203 1.00 0.00 O ATOM 603 OD2 ASP A 37 -7.101 -9.887 -2.327 1.00 0.00 O ATOM 0 H ASP A 37 -6.319 -6.437 1.789 1.00 0.00 H new ATOM 0 HA ASP A 37 -6.668 -9.160 1.095 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -7.653 -7.877 -0.962 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -6.013 -7.345 -1.271 1.00 0.00 H new ATOM 608 N PRO A 38 -4.257 -8.908 1.868 1.00 0.00 N ATOM 609 CA PRO A 38 -2.792 -8.943 2.150 1.00 0.00 C ATOM 610 C PRO A 38 -2.025 -9.664 1.048 1.00 0.00 C ATOM 611 O PRO A 38 -0.892 -9.311 0.737 1.00 0.00 O ATOM 612 CB PRO A 38 -2.657 -9.682 3.486 1.00 0.00 C ATOM 613 CG PRO A 38 -4.036 -10.033 3.936 1.00 0.00 C ATOM 614 CD PRO A 38 -5.002 -9.781 2.779 1.00 0.00 C ATOM 0 HA PRO A 38 -2.371 -7.938 2.194 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -2.050 -10.580 3.370 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -2.159 -9.054 4.225 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -4.079 -11.077 4.245 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -4.316 -9.433 4.801 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -5.290 -10.712 2.291 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -5.920 -9.305 3.124 1.00 0.00 H new ATOM 622 N SER A 39 -2.668 -10.661 0.437 1.00 0.00 N ATOM 623 CA SER A 39 -2.045 -11.405 -0.650 1.00 0.00 C ATOM 624 C SER A 39 -1.749 -10.449 -1.792 1.00 0.00 C ATOM 625 O SER A 39 -0.788 -10.632 -2.542 1.00 0.00 O ATOM 626 CB SER A 39 -2.974 -12.526 -1.131 1.00 0.00 C ATOM 627 OG SER A 39 -2.277 -13.354 -2.055 1.00 0.00 O ATOM 0 H SER A 39 -3.611 -10.967 0.676 1.00 0.00 H new ATOM 0 HA SER A 39 -1.118 -11.857 -0.297 1.00 0.00 H new ATOM 0 HB2 SER A 39 -3.317 -13.118 -0.283 1.00 0.00 H new ATOM 0 HB3 SER A 39 -3.860 -12.102 -1.603 1.00 0.00 H new ATOM 0 HG SER A 39 -2.869 -14.072 -2.362 1.00 0.00 H new ATOM 633 N GLN A 40 -2.585 -9.416 -1.895 1.00 0.00 N ATOM 634 CA GLN A 40 -2.425 -8.406 -2.922 1.00 0.00 C ATOM 635 C GLN A 40 -1.609 -7.228 -2.402 1.00 0.00 C ATOM 636 O GLN A 40 -1.411 -6.256 -3.120 1.00 0.00 O ATOM 637 CB GLN A 40 -3.796 -7.923 -3.411 1.00 0.00 C ATOM 638 CG GLN A 40 -4.508 -9.055 -4.161 1.00 0.00 C ATOM 639 CD GLN A 40 -3.816 -9.325 -5.494 1.00 0.00 C ATOM 640 OE1 GLN A 40 -3.840 -8.482 -6.391 1.00 0.00 O ATOM 641 NE2 GLN A 40 -3.189 -10.454 -5.677 1.00 0.00 N ATOM 0 H GLN A 40 -3.380 -9.263 -1.274 1.00 0.00 H new ATOM 0 HA GLN A 40 -1.888 -8.853 -3.759 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -4.401 -7.599 -2.564 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -3.675 -7.060 -4.066 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -4.507 -9.960 -3.553 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -5.551 -8.787 -4.332 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -3.169 -11.153 -4.934 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -2.719 -10.638 -6.563 1.00 0.00 H new ATOM 650 N SER A 41 -1.105 -7.326 -1.166 1.00 0.00 N ATOM 651 CA SER A 41 -0.287 -6.253 -0.598 1.00 0.00 C ATOM 652 C SER A 41 0.852 -5.970 -1.563 1.00 0.00 C ATOM 653 O SER A 41 1.280 -4.840 -1.717 1.00 0.00 O ATOM 654 CB SER A 41 0.278 -6.665 0.772 1.00 0.00 C ATOM 655 OG SER A 41 1.327 -7.606 0.575 1.00 0.00 O ATOM 0 H SER A 41 -1.247 -8.126 -0.549 1.00 0.00 H new ATOM 0 HA SER A 41 -0.898 -5.362 -0.453 1.00 0.00 H new ATOM 0 HB2 SER A 41 0.652 -5.790 1.304 1.00 0.00 H new ATOM 0 HB3 SER A 41 -0.508 -7.101 1.388 1.00 0.00 H new ATOM 0 HG SER A 41 2.161 -7.249 0.947 1.00 0.00 H new ATOM 661 N ALA A 42 1.299 -7.045 -2.214 1.00 0.00 N ATOM 662 CA ALA A 42 2.370 -7.009 -3.201 1.00 0.00 C ATOM 663 C ALA A 42 1.948 -6.261 -4.462 1.00 0.00 C ATOM 664 O ALA A 42 2.719 -5.518 -5.066 1.00 0.00 O ATOM 665 CB ALA A 42 2.691 -8.439 -3.609 1.00 0.00 C ATOM 0 H ALA A 42 0.918 -7.979 -2.065 1.00 0.00 H new ATOM 0 HA ALA A 42 3.226 -6.502 -2.755 1.00 0.00 H new ATOM 0 HB1 ALA A 42 3.492 -8.435 -4.349 1.00 0.00 H new ATOM 0 HB2 ALA A 42 3.009 -9.005 -2.733 1.00 0.00 H new ATOM 0 HB3 ALA A 42 1.803 -8.903 -4.038 1.00 0.00 H new ATOM 671 N ASN A 43 0.718 -6.506 -4.856 1.00 0.00 N ATOM 672 CA ASN A 43 0.136 -5.899 -6.032 1.00 0.00 C ATOM 673 C ASN A 43 -0.172 -4.445 -5.793 1.00 0.00 C ATOM 674 O ASN A 43 -0.158 -3.618 -6.699 1.00 0.00 O ATOM 675 CB ASN A 43 -1.170 -6.596 -6.289 1.00 0.00 C ATOM 676 CG ASN A 43 -0.936 -7.971 -6.906 1.00 0.00 C ATOM 677 OD1 ASN A 43 -0.677 -8.986 -6.130 1.00 0.00 O flip ATOM 678 ND2 ASN A 43 -0.983 -8.122 -8.126 1.00 0.00 N flip ATOM 0 H ASN A 43 0.087 -7.139 -4.364 1.00 0.00 H new ATOM 0 HA ASN A 43 0.834 -5.984 -6.865 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -1.722 -6.700 -5.355 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -1.785 -5.992 -6.957 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -1.186 -7.326 -8.731 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -0.819 -9.043 -8.533 1.00 0.00 H new ATOM 685 N LEU A 44 -0.555 -4.190 -4.566 1.00 0.00 N ATOM 686 CA LEU A 44 -0.991 -2.883 -4.156 1.00 0.00 C ATOM 687 C LEU A 44 0.091 -1.845 -4.223 1.00 0.00 C ATOM 688 O LEU A 44 -0.172 -0.759 -4.713 1.00 0.00 O ATOM 689 CB LEU A 44 -1.611 -3.001 -2.782 1.00 0.00 C ATOM 690 CG LEU A 44 -2.919 -3.779 -2.962 1.00 0.00 C ATOM 691 CD1 LEU A 44 -3.408 -4.364 -1.640 1.00 0.00 C ATOM 692 CD2 LEU A 44 -3.962 -2.845 -3.553 1.00 0.00 C ATOM 0 H LEU A 44 -0.572 -4.888 -3.822 1.00 0.00 H new ATOM 0 HA LEU A 44 -1.740 -2.523 -4.862 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -0.941 -3.521 -2.097 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -1.801 -2.016 -2.356 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.745 -4.617 -3.637 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -4.337 -4.909 -1.805 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -2.655 -5.044 -1.242 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -3.582 -3.558 -0.927 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -4.899 -3.385 -3.687 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -4.121 -2.004 -2.878 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -3.615 -2.476 -4.518 1.00 0.00 H new ATOM 704 N LEU A 45 1.314 -2.162 -3.814 1.00 0.00 N ATOM 705 CA LEU A 45 2.368 -1.149 -3.976 1.00 0.00 C ATOM 706 C LEU A 45 2.590 -1.022 -5.458 1.00 0.00 C ATOM 707 O LEU A 45 2.911 0.029 -5.950 1.00 0.00 O ATOM 708 CB LEU A 45 3.747 -1.365 -3.294 1.00 0.00 C ATOM 709 CG LEU A 45 3.821 -2.581 -2.396 1.00 0.00 C ATOM 710 CD1 LEU A 45 2.754 -2.507 -1.309 1.00 0.00 C ATOM 711 CD2 LEU A 45 3.689 -3.821 -3.266 1.00 0.00 C ATOM 0 H LEU A 45 1.597 -3.048 -3.394 1.00 0.00 H new ATOM 0 HA LEU A 45 1.990 -0.267 -3.458 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.510 -1.453 -4.067 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.990 -0.480 -2.706 1.00 0.00 H new ATOM 0 HG LEU A 45 4.779 -2.623 -1.877 1.00 0.00 H new ATOM 0 HD11 LEU A 45 2.821 -3.389 -0.672 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.910 -1.612 -0.707 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.767 -2.467 -1.770 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.740 -4.712 -2.640 1.00 0.00 H new ATOM 0 HD22 LEU A 45 2.733 -3.799 -3.789 1.00 0.00 H new ATOM 0 HD23 LEU A 45 4.500 -3.843 -3.994 1.00 0.00 H new ATOM 723 N ALA A 46 2.399 -2.134 -6.163 1.00 0.00 N ATOM 724 CA ALA A 46 2.557 -2.150 -7.610 1.00 0.00 C ATOM 725 C ALA A 46 1.565 -1.167 -8.201 1.00 0.00 C ATOM 726 O ALA A 46 1.898 -0.353 -9.061 1.00 0.00 O ATOM 727 CB ALA A 46 2.251 -3.543 -8.144 1.00 0.00 C ATOM 0 H ALA A 46 2.136 -3.031 -5.756 1.00 0.00 H new ATOM 0 HA ALA A 46 3.578 -1.879 -7.879 1.00 0.00 H new ATOM 0 HB1 ALA A 46 2.370 -3.552 -9.227 1.00 0.00 H new ATOM 0 HB2 ALA A 46 2.937 -4.263 -7.698 1.00 0.00 H new ATOM 0 HB3 ALA A 46 1.226 -3.813 -7.890 1.00 0.00 H new ATOM 733 N GLU A 47 0.351 -1.239 -7.666 1.00 0.00 N ATOM 734 CA GLU A 47 -0.726 -0.360 -8.047 1.00 0.00 C ATOM 735 C GLU A 47 -0.369 1.043 -7.616 1.00 0.00 C ATOM 736 O GLU A 47 -0.454 1.993 -8.377 1.00 0.00 O ATOM 737 CB GLU A 47 -1.969 -0.810 -7.285 1.00 0.00 C ATOM 738 CG GLU A 47 -2.827 -1.736 -8.145 1.00 0.00 C ATOM 739 CD GLU A 47 -3.655 -2.659 -7.250 1.00 0.00 C ATOM 740 OE1 GLU A 47 -3.134 -3.689 -6.848 1.00 0.00 O ATOM 741 OE2 GLU A 47 -4.794 -2.320 -6.973 1.00 0.00 O ATOM 0 H GLU A 47 0.094 -1.919 -6.950 1.00 0.00 H new ATOM 0 HA GLU A 47 -0.899 -0.385 -9.123 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.674 -1.325 -6.371 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -2.553 0.061 -6.986 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -3.486 -1.147 -8.783 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -2.191 -2.328 -8.803 1.00 0.00 H new ATOM 748 N ALA A 48 0.042 1.116 -6.366 1.00 0.00 N ATOM 749 CA ALA A 48 0.438 2.355 -5.727 1.00 0.00 C ATOM 750 C ALA A 48 1.575 3.011 -6.479 1.00 0.00 C ATOM 751 O ALA A 48 1.535 4.199 -6.760 1.00 0.00 O ATOM 752 CB ALA A 48 0.868 2.063 -4.304 1.00 0.00 C ATOM 0 H ALA A 48 0.111 0.302 -5.755 1.00 0.00 H new ATOM 0 HA ALA A 48 -0.411 3.039 -5.728 1.00 0.00 H new ATOM 0 HB1 ALA A 48 1.167 2.991 -3.817 1.00 0.00 H new ATOM 0 HB2 ALA A 48 0.037 1.618 -3.757 1.00 0.00 H new ATOM 0 HB3 ALA A 48 1.709 1.370 -4.313 1.00 0.00 H new ATOM 758 N LYS A 49 2.570 2.216 -6.827 1.00 0.00 N ATOM 759 CA LYS A 49 3.699 2.717 -7.593 1.00 0.00 C ATOM 760 C LYS A 49 3.175 3.219 -8.932 1.00 0.00 C ATOM 761 O LYS A 49 3.640 4.233 -9.451 1.00 0.00 O ATOM 762 CB LYS A 49 4.747 1.610 -7.787 1.00 0.00 C ATOM 763 CG LYS A 49 5.488 1.363 -6.459 1.00 0.00 C ATOM 764 CD LYS A 49 6.418 0.147 -6.593 1.00 0.00 C ATOM 765 CE LYS A 49 6.960 -0.244 -5.211 1.00 0.00 C ATOM 766 NZ LYS A 49 7.896 -1.396 -5.349 1.00 0.00 N ATOM 0 H LYS A 49 2.621 1.224 -6.593 1.00 0.00 H new ATOM 0 HA LYS A 49 4.187 3.534 -7.061 1.00 0.00 H new ATOM 0 HB2 LYS A 49 4.264 0.692 -8.122 1.00 0.00 H new ATOM 0 HB3 LYS A 49 5.456 1.898 -8.563 1.00 0.00 H new ATOM 0 HG2 LYS A 49 6.067 2.245 -6.187 1.00 0.00 H new ATOM 0 HG3 LYS A 49 4.769 1.194 -5.658 1.00 0.00 H new ATOM 0 HD2 LYS A 49 5.876 -0.691 -7.032 1.00 0.00 H new ATOM 0 HD3 LYS A 49 7.243 0.381 -7.265 1.00 0.00 H new ATOM 0 HE2 LYS A 49 7.474 0.603 -4.758 1.00 0.00 H new ATOM 0 HE3 LYS A 49 6.137 -0.509 -4.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 7.881 -1.962 -4.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 7.601 -1.988 -6.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 8.860 -1.042 -5.515 1.00 0.00 H new ATOM 780 N LYS A 50 2.154 2.522 -9.456 1.00 0.00 N ATOM 781 CA LYS A 50 1.521 2.929 -10.704 1.00 0.00 C ATOM 782 C LYS A 50 0.730 4.207 -10.465 1.00 0.00 C ATOM 783 O LYS A 50 0.691 5.092 -11.305 1.00 0.00 O ATOM 784 CB LYS A 50 0.587 1.817 -11.218 1.00 0.00 C ATOM 785 CG LYS A 50 1.155 1.200 -12.505 1.00 0.00 C ATOM 786 CD LYS A 50 2.241 0.165 -12.164 1.00 0.00 C ATOM 787 CE LYS A 50 1.602 -1.206 -11.908 1.00 0.00 C ATOM 788 NZ LYS A 50 1.239 -1.837 -13.208 1.00 0.00 N ATOM 0 H LYS A 50 1.758 1.682 -9.033 1.00 0.00 H new ATOM 0 HA LYS A 50 2.288 3.108 -11.458 1.00 0.00 H new ATOM 0 HB2 LYS A 50 0.474 1.046 -10.456 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -0.406 2.225 -11.409 1.00 0.00 H new ATOM 0 HG2 LYS A 50 0.355 0.725 -13.073 1.00 0.00 H new ATOM 0 HG3 LYS A 50 1.574 1.982 -13.138 1.00 0.00 H new ATOM 0 HD2 LYS A 50 2.956 0.094 -12.983 1.00 0.00 H new ATOM 0 HD3 LYS A 50 2.796 0.486 -11.283 1.00 0.00 H new ATOM 0 HE2 LYS A 50 2.296 -1.846 -11.362 1.00 0.00 H new ATOM 0 HE3 LYS A 50 0.714 -1.095 -11.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 1.063 -2.852 -13.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 0.380 -1.387 -13.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 2.020 -1.713 -13.884 1.00 0.00 H new ATOM 802 N LEU A 51 0.113 4.267 -9.286 1.00 0.00 N ATOM 803 CA LEU A 51 -0.696 5.403 -8.856 1.00 0.00 C ATOM 804 C LEU A 51 0.176 6.619 -8.634 1.00 0.00 C ATOM 805 O LEU A 51 -0.157 7.735 -9.024 1.00 0.00 O ATOM 806 CB LEU A 51 -1.330 5.056 -7.510 1.00 0.00 C ATOM 807 CG LEU A 51 -2.778 4.592 -7.630 1.00 0.00 C ATOM 808 CD1 LEU A 51 -3.656 5.769 -8.082 1.00 0.00 C ATOM 809 CD2 LEU A 51 -2.872 3.388 -8.591 1.00 0.00 C ATOM 0 H LEU A 51 0.162 3.518 -8.595 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.443 5.614 -9.621 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.743 4.273 -7.030 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.288 5.930 -6.860 1.00 0.00 H new ATOM 0 HG LEU A 51 -3.145 4.256 -6.660 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -4.691 5.439 -8.168 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -3.592 6.573 -7.349 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -3.309 6.131 -9.050 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -3.910 3.065 -8.669 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.507 3.679 -9.576 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.265 2.568 -8.207 1.00 0.00 H new ATOM 821 N ASN A 52 1.293 6.361 -7.977 1.00 0.00 N ATOM 822 CA ASN A 52 2.258 7.378 -7.643 1.00 0.00 C ATOM 823 C ASN A 52 2.749 8.019 -8.920 1.00 0.00 C ATOM 824 O ASN A 52 2.783 9.243 -9.057 1.00 0.00 O ATOM 825 CB ASN A 52 3.403 6.690 -6.885 1.00 0.00 C ATOM 826 CG ASN A 52 4.414 7.693 -6.352 1.00 0.00 C ATOM 827 OD1 ASN A 52 4.167 8.350 -5.346 1.00 0.00 O ATOM 828 ND2 ASN A 52 5.556 7.834 -6.965 1.00 0.00 N ATOM 0 H ASN A 52 1.553 5.427 -7.660 1.00 0.00 H new ATOM 0 HA ASN A 52 1.828 8.160 -7.017 1.00 0.00 H new ATOM 0 HB2 ASN A 52 2.994 6.112 -6.056 1.00 0.00 H new ATOM 0 HB3 ASN A 52 3.905 5.986 -7.548 1.00 0.00 H new ATOM 0 HD21 ASN A 52 6.248 8.493 -6.608 1.00 0.00 H new ATOM 0 HD22 ASN A 52 5.757 7.286 -7.801 1.00 0.00 H new ATOM 835 N ASP A 53 3.097 7.157 -9.856 1.00 0.00 N ATOM 836 CA ASP A 53 3.566 7.574 -11.149 1.00 0.00 C ATOM 837 C ASP A 53 2.437 8.160 -12.002 1.00 0.00 C ATOM 838 O ASP A 53 2.651 9.098 -12.773 1.00 0.00 O ATOM 839 CB ASP A 53 4.183 6.366 -11.867 1.00 0.00 C ATOM 840 CG ASP A 53 5.405 5.824 -11.107 1.00 0.00 C ATOM 841 OD1 ASP A 53 5.951 6.537 -10.274 1.00 0.00 O ATOM 842 OD2 ASP A 53 5.777 4.692 -11.369 1.00 0.00 O ATOM 0 H ASP A 53 3.060 6.145 -9.733 1.00 0.00 H new ATOM 0 HA ASP A 53 4.311 8.357 -11.008 1.00 0.00 H new ATOM 0 HB2 ASP A 53 3.436 5.579 -11.965 1.00 0.00 H new ATOM 0 HB3 ASP A 53 4.478 6.653 -12.876 1.00 0.00 H new ATOM 847 N ALA A 54 1.251 7.555 -11.892 1.00 0.00 N ATOM 848 CA ALA A 54 0.092 7.965 -12.695 1.00 0.00 C ATOM 849 C ALA A 54 -0.531 9.277 -12.260 1.00 0.00 C ATOM 850 O ALA A 54 -0.956 10.073 -13.100 1.00 0.00 O ATOM 851 CB ALA A 54 -0.990 6.912 -12.558 1.00 0.00 C ATOM 0 H ALA A 54 1.067 6.780 -11.255 1.00 0.00 H new ATOM 0 HA ALA A 54 0.462 8.085 -13.713 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -1.858 7.203 -13.150 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.612 5.954 -12.915 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -1.279 6.821 -11.511 1.00 0.00 H new ATOM 857 N GLN A 55 -0.616 9.486 -10.955 1.00 0.00 N ATOM 858 CA GLN A 55 -1.231 10.690 -10.443 1.00 0.00 C ATOM 859 C GLN A 55 -0.263 11.837 -10.490 1.00 0.00 C ATOM 860 O GLN A 55 -0.614 12.943 -10.904 1.00 0.00 O ATOM 861 CB GLN A 55 -1.652 10.483 -8.996 1.00 0.00 C ATOM 862 CG GLN A 55 -2.831 9.515 -8.899 1.00 0.00 C ATOM 863 CD GLN A 55 -3.276 9.420 -7.443 1.00 0.00 C ATOM 864 OE1 GLN A 55 -4.257 8.746 -7.135 1.00 0.00 O ATOM 865 NE2 GLN A 55 -2.620 10.078 -6.523 1.00 0.00 N ATOM 0 H GLN A 55 -0.270 8.843 -10.243 1.00 0.00 H new ATOM 0 HA GLN A 55 -2.099 10.914 -11.062 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -0.811 10.095 -8.421 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -1.926 11.441 -8.553 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -3.655 9.861 -9.523 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -2.542 8.531 -9.270 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -1.806 10.637 -6.778 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -2.922 10.032 -5.550 1.00 0.00 H new ATOM 874 N ALA A 56 0.949 11.548 -10.024 1.00 0.00 N ATOM 875 CA ALA A 56 2.010 12.553 -9.951 1.00 0.00 C ATOM 876 C ALA A 56 1.411 13.922 -9.562 1.00 0.00 C ATOM 877 O ALA A 56 1.611 14.916 -10.264 1.00 0.00 O ATOM 878 CB ALA A 56 2.737 12.637 -11.297 1.00 0.00 C ATOM 0 H ALA A 56 1.223 10.624 -9.690 1.00 0.00 H new ATOM 0 HA ALA A 56 2.732 12.265 -9.186 1.00 0.00 H new ATOM 0 HB1 ALA A 56 3.526 13.387 -11.238 1.00 0.00 H new ATOM 0 HB2 ALA A 56 3.174 11.667 -11.535 1.00 0.00 H new ATOM 0 HB3 ALA A 56 2.028 12.917 -12.076 1.00 0.00 H new