USER MOD reduce.3.24.130724 H: found=0, std=0, add=557, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 558 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 49 ASN : amide:sc= -0.0579 X(o=0.46,f=0.42) USER MOD Set 1.2: A 74 CYS SG : rot -97:sc= 0.517 USER MOD Set 2.1: A 42 THR OG1 : rot 101:sc= 1.25 USER MOD Set 2.2: A 44 THR OG1 : rot -45:sc= 1.13 USER MOD Set 3.1: A 26 LYS NZ :NH3+ -168:sc= 0.89 (180deg=0) USER MOD Set 3.2: A 27 THR OG1 : rot 80:sc= 0.778 USER MOD Single : A 11 GLN : amide:sc=-0.00173 K(o=-0.0017,f=-3.5!) USER MOD Single : A 14 LYS NZ :NH3+ 164:sc= 1.29 (180deg=1.01) USER MOD Single : A 20 TYR OH : rot 138:sc= 1.27 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 GLN : amide:sc= -0.594! C(o=-0.59!,f=-1.7!) USER MOD Single : A 34 SER OG : rot -79:sc= 1.26 USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=-0.034) USER MOD Single : A 38 LYS NZ :NH3+ 146:sc= 0.628 (180deg=-1.05!) USER MOD Single : A 39 ASN : amide:sc= -4.97! K(o=-5!,f=-2.2) USER MOD Single : A 41 MET CE :methyl -158:sc= -0.0611 (180deg=-0.631) USER MOD Single : A 48 GLN : amide:sc= 1.18 K(o=1.2,f=-0.0031) USER MOD Single : A 51 ASN : amide:sc= 0.0434 K(o=0.043,f=-8!) USER MOD Single : A 54 CYS SG : rot 100:sc= -1.54 USER MOD Single : A 55 LYS NZ :NH3+ -145:sc= 0.92 (180deg=-0.279!) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 162:sc= 1.29 (180deg=1.09) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.00973 USER MOD Single : A 70 MET CE :methyl -179:sc= -0.0126 (180deg=-0.0148) USER MOD Single : A 71 MET CE :methyl -157:sc= -0.783 (180deg=-1.72) USER MOD Single : A 72 THR OG1 : rot 10:sc= 1.23 USER MOD Single : A 75 GLN : amide:sc= -0.191 X(o=-0.19,f=-0.079) USER MOD ----------------------------------------------------------------- ATOM 70 N ILE A 6 0.712 -10.611 2.675 1.00 0.00 N ATOM 71 CA ILE A 6 0.528 -11.788 3.544 1.00 0.00 C ATOM 72 C ILE A 6 0.563 -11.302 4.998 1.00 0.00 C ATOM 73 O ILE A 6 -0.459 -11.354 5.681 1.00 0.00 O ATOM 74 CB ILE A 6 1.546 -12.914 3.212 1.00 0.00 C ATOM 75 CG1 ILE A 6 1.939 -13.783 4.425 1.00 0.00 C ATOM 76 CG2 ILE A 6 2.827 -12.444 2.494 1.00 0.00 C ATOM 77 CD1 ILE A 6 0.747 -14.424 5.152 1.00 0.00 C ATOM 0 HA ILE A 6 -0.439 -12.259 3.369 1.00 0.00 H new ATOM 0 HB ILE A 6 0.980 -13.527 2.510 1.00 0.00 H new ATOM 0 HG12 ILE A 6 2.613 -14.572 4.090 1.00 0.00 H new ATOM 0 HG13 ILE A 6 2.495 -13.169 5.133 1.00 0.00 H new ATOM 0 HG21 ILE A 6 3.474 -13.301 2.306 1.00 0.00 H new ATOM 0 HG22 ILE A 6 2.562 -11.974 1.547 1.00 0.00 H new ATOM 0 HG23 ILE A 6 3.352 -11.724 3.121 1.00 0.00 H new ATOM 0 HD11 ILE A 6 1.109 -15.018 5.991 1.00 0.00 H new ATOM 0 HD12 ILE A 6 0.082 -13.642 5.520 1.00 0.00 H new ATOM 0 HD13 ILE A 6 0.202 -15.067 4.461 1.00 0.00 H new ATOM 89 N LEU A 7 1.665 -10.674 5.417 1.00 0.00 N ATOM 90 CA LEU A 7 1.788 -9.852 6.637 1.00 0.00 C ATOM 91 C LEU A 7 0.971 -8.534 6.500 1.00 0.00 C ATOM 92 O LEU A 7 1.329 -7.489 7.030 1.00 0.00 O ATOM 93 CB LEU A 7 3.299 -9.626 6.898 1.00 0.00 C ATOM 94 CG LEU A 7 4.188 -9.198 5.701 1.00 0.00 C ATOM 95 CD1 LEU A 7 3.773 -7.884 5.036 1.00 0.00 C ATOM 96 CD2 LEU A 7 5.635 -9.051 6.170 1.00 0.00 C ATOM 0 H LEU A 7 2.540 -10.723 4.895 1.00 0.00 H new ATOM 0 HA LEU A 7 1.362 -10.358 7.503 1.00 0.00 H new ATOM 0 HB2 LEU A 7 3.394 -8.866 7.673 1.00 0.00 H new ATOM 0 HB3 LEU A 7 3.709 -10.550 7.305 1.00 0.00 H new ATOM 0 HG LEU A 7 4.069 -9.984 4.955 1.00 0.00 H new ATOM 0 HD11 LEU A 7 4.450 -7.664 4.210 1.00 0.00 H new ATOM 0 HD12 LEU A 7 2.755 -7.974 4.657 1.00 0.00 H new ATOM 0 HD13 LEU A 7 3.818 -7.076 5.767 1.00 0.00 H new ATOM 0 HD21 LEU A 7 6.261 -8.750 5.330 1.00 0.00 H new ATOM 0 HD22 LEU A 7 5.689 -8.294 6.952 1.00 0.00 H new ATOM 0 HD23 LEU A 7 5.989 -10.004 6.563 1.00 0.00 H new ATOM 108 N ASP A 8 -0.128 -8.623 5.752 1.00 0.00 N ATOM 109 CA ASP A 8 -0.933 -7.562 5.135 1.00 0.00 C ATOM 110 C ASP A 8 -2.435 -7.946 5.041 1.00 0.00 C ATOM 111 O ASP A 8 -3.260 -7.176 4.555 1.00 0.00 O ATOM 112 CB ASP A 8 -0.358 -7.451 3.702 1.00 0.00 C ATOM 113 CG ASP A 8 -0.194 -6.065 3.078 1.00 0.00 C ATOM 114 OD1 ASP A 8 -0.776 -5.078 3.561 1.00 0.00 O ATOM 115 OD2 ASP A 8 0.511 -6.053 2.033 1.00 0.00 O ATOM 0 H ASP A 8 -0.521 -9.540 5.539 1.00 0.00 H new ATOM 0 HA ASP A 8 -0.885 -6.641 5.715 1.00 0.00 H new ATOM 0 HB2 ASP A 8 0.621 -7.931 3.701 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -1.000 -8.035 3.043 1.00 0.00 H new ATOM 120 N ILE A 9 -2.803 -9.178 5.435 1.00 0.00 N ATOM 121 CA ILE A 9 -4.142 -9.764 5.279 1.00 0.00 C ATOM 122 C ILE A 9 -4.581 -10.512 6.552 1.00 0.00 C ATOM 123 O ILE A 9 -3.852 -10.586 7.539 1.00 0.00 O ATOM 124 CB ILE A 9 -4.207 -10.675 4.036 1.00 0.00 C ATOM 125 CG1 ILE A 9 -3.475 -12.016 4.234 1.00 0.00 C ATOM 126 CG2 ILE A 9 -3.739 -9.960 2.755 1.00 0.00 C ATOM 127 CD1 ILE A 9 -3.824 -13.007 3.123 1.00 0.00 C ATOM 0 H ILE A 9 -2.149 -9.816 5.888 1.00 0.00 H new ATOM 0 HA ILE A 9 -4.846 -8.946 5.126 1.00 0.00 H new ATOM 0 HB ILE A 9 -5.263 -10.912 3.904 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -2.398 -11.847 4.249 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -3.744 -12.441 5.201 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -3.805 -10.646 1.911 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -4.374 -9.094 2.569 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -2.706 -9.633 2.877 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -3.292 -13.944 3.291 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -4.898 -13.194 3.126 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -3.531 -12.591 2.159 1.00 0.00 H new ATOM 139 N ARG A 10 -5.764 -11.144 6.532 1.00 0.00 N ATOM 140 CA ARG A 10 -6.187 -12.057 7.607 1.00 0.00 C ATOM 141 C ARG A 10 -5.170 -13.167 7.881 1.00 0.00 C ATOM 142 O ARG A 10 -4.740 -13.861 6.971 1.00 0.00 O ATOM 143 CB ARG A 10 -7.578 -12.661 7.313 1.00 0.00 C ATOM 144 CG ARG A 10 -7.702 -13.512 6.028 1.00 0.00 C ATOM 145 CD ARG A 10 -7.291 -14.993 6.181 1.00 0.00 C ATOM 146 NE ARG A 10 -8.441 -15.915 6.117 1.00 0.00 N ATOM 147 CZ ARG A 10 -9.097 -16.442 7.137 1.00 0.00 C ATOM 148 NH1 ARG A 10 -8.789 -16.218 8.386 1.00 0.00 N ATOM 149 NH2 ARG A 10 -10.114 -17.222 6.910 1.00 0.00 N ATOM 0 H ARG A 10 -6.447 -11.040 5.782 1.00 0.00 H new ATOM 0 HA ARG A 10 -6.250 -11.452 8.511 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -7.867 -13.280 8.162 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -8.299 -11.845 7.253 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -8.735 -13.472 5.682 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -7.087 -13.059 5.250 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -6.580 -15.251 5.396 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -6.777 -15.126 7.133 1.00 0.00 H new ATOM 0 HE ARG A 10 -8.765 -16.174 5.185 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -8.005 -15.608 8.616 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -9.333 -16.653 9.131 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -10.399 -17.422 5.951 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -10.626 -17.633 7.691 1.00 0.00 H new ATOM 163 N GLN A 11 -4.830 -13.393 9.138 1.00 0.00 N ATOM 164 CA GLN A 11 -4.180 -14.611 9.594 1.00 0.00 C ATOM 165 C GLN A 11 -5.276 -15.693 9.627 1.00 0.00 C ATOM 166 O GLN A 11 -6.475 -15.400 9.673 1.00 0.00 O ATOM 167 CB GLN A 11 -3.550 -14.339 10.971 1.00 0.00 C ATOM 168 CG GLN A 11 -2.719 -15.484 11.582 1.00 0.00 C ATOM 169 CD GLN A 11 -3.466 -16.310 12.633 1.00 0.00 C ATOM 170 OE1 GLN A 11 -4.615 -16.687 12.479 1.00 0.00 O ATOM 171 NE2 GLN A 11 -2.839 -16.644 13.737 1.00 0.00 N ATOM 0 H GLN A 11 -5.001 -12.721 9.886 1.00 0.00 H new ATOM 0 HA GLN A 11 -3.372 -14.948 8.944 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -2.911 -13.460 10.887 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -4.349 -14.087 11.668 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -2.391 -16.147 10.781 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -1.822 -15.064 12.037 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -1.877 -16.341 13.889 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -3.314 -17.207 14.443 1.00 0.00 H new ATOM 180 N GLY A 12 -4.874 -16.950 9.526 1.00 0.00 N ATOM 181 CA GLY A 12 -5.735 -18.116 9.766 1.00 0.00 C ATOM 182 C GLY A 12 -5.415 -19.330 8.901 1.00 0.00 C ATOM 183 O GLY A 12 -6.251 -19.716 8.089 1.00 0.00 O ATOM 0 H GLY A 12 -3.920 -17.202 9.269 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -5.653 -18.402 10.815 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -6.772 -17.827 9.594 1.00 0.00 H new ATOM 187 N PRO A 13 -4.233 -19.938 9.064 1.00 0.00 N ATOM 188 CA PRO A 13 -3.785 -21.076 8.256 1.00 0.00 C ATOM 189 C PRO A 13 -4.374 -22.437 8.645 1.00 0.00 C ATOM 190 O PRO A 13 -4.290 -23.381 7.867 1.00 0.00 O ATOM 191 CB PRO A 13 -2.286 -21.102 8.503 1.00 0.00 C ATOM 192 CG PRO A 13 -2.150 -20.619 9.949 1.00 0.00 C ATOM 193 CD PRO A 13 -3.208 -19.536 10.018 1.00 0.00 C ATOM 0 HA PRO A 13 -4.102 -20.939 7.222 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -1.876 -22.104 8.375 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -1.754 -20.449 7.811 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -2.337 -21.419 10.666 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -1.153 -20.230 10.158 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -3.619 -19.451 11.024 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -2.791 -18.562 9.761 1.00 0.00 H new ATOM 201 N LYS A 14 -4.968 -22.543 9.840 1.00 0.00 N ATOM 202 CA LYS A 14 -5.379 -23.821 10.465 1.00 0.00 C ATOM 203 C LYS A 14 -6.300 -24.747 9.655 1.00 0.00 C ATOM 204 O LYS A 14 -6.432 -25.917 9.979 1.00 0.00 O ATOM 205 CB LYS A 14 -6.006 -23.561 11.841 1.00 0.00 C ATOM 206 CG LYS A 14 -7.246 -22.645 11.821 1.00 0.00 C ATOM 207 CD LYS A 14 -8.245 -23.051 12.912 1.00 0.00 C ATOM 208 CE LYS A 14 -9.479 -22.140 12.883 1.00 0.00 C ATOM 209 NZ LYS A 14 -10.674 -22.843 13.400 1.00 0.00 N ATOM 0 H LYS A 14 -5.184 -21.730 10.417 1.00 0.00 H new ATOM 0 HA LYS A 14 -4.441 -24.373 10.532 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -6.284 -24.517 12.285 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -5.252 -23.115 12.490 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -6.940 -21.609 11.970 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -7.727 -22.698 10.844 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -8.549 -24.088 12.767 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -7.767 -22.993 13.890 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -9.291 -21.249 13.481 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -9.664 -21.805 11.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -11.415 -22.149 13.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -11.026 -23.505 12.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -10.422 -23.370 14.260 1.00 0.00 H new ATOM 223 N GLU A 15 -6.982 -24.209 8.654 1.00 0.00 N ATOM 224 CA GLU A 15 -8.005 -24.924 7.873 1.00 0.00 C ATOM 225 C GLU A 15 -8.002 -24.680 6.346 1.00 0.00 C ATOM 226 O GLU A 15 -8.244 -25.639 5.609 1.00 0.00 O ATOM 227 CB GLU A 15 -9.396 -24.563 8.414 1.00 0.00 C ATOM 228 CG GLU A 15 -9.713 -25.165 9.786 1.00 0.00 C ATOM 229 CD GLU A 15 -11.154 -24.828 10.167 1.00 0.00 C ATOM 230 OE1 GLU A 15 -12.061 -25.255 9.416 1.00 0.00 O ATOM 231 OE2 GLU A 15 -11.334 -24.069 11.151 1.00 0.00 O ATOM 0 H GLU A 15 -6.844 -23.246 8.349 1.00 0.00 H new ATOM 0 HA GLU A 15 -7.754 -25.977 7.999 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -9.478 -23.478 8.478 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -10.149 -24.898 7.700 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -9.575 -26.246 9.762 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -9.026 -24.772 10.535 1.00 0.00 H new ATOM 238 N PRO A 16 -7.776 -23.459 5.820 1.00 0.00 N ATOM 239 CA PRO A 16 -7.952 -23.157 4.395 1.00 0.00 C ATOM 240 C PRO A 16 -6.675 -23.421 3.568 1.00 0.00 C ATOM 241 O PRO A 16 -6.310 -22.575 2.756 1.00 0.00 O ATOM 242 CB PRO A 16 -8.386 -21.681 4.393 1.00 0.00 C ATOM 243 CG PRO A 16 -7.557 -21.093 5.527 1.00 0.00 C ATOM 244 CD PRO A 16 -7.573 -22.213 6.556 1.00 0.00 C ATOM 0 HA PRO A 16 -8.688 -23.802 3.914 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -8.172 -21.196 3.440 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -9.455 -21.572 4.573 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -6.544 -20.850 5.206 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -7.996 -20.175 5.918 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -6.636 -22.241 7.112 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -8.371 -22.059 7.283 1.00 0.00 H new ATOM 252 N PHE A 17 -5.975 -24.555 3.759 1.00 0.00 N ATOM 253 CA PHE A 17 -4.617 -24.776 3.214 1.00 0.00 C ATOM 254 C PHE A 17 -4.419 -24.304 1.766 1.00 0.00 C ATOM 255 O PHE A 17 -3.624 -23.398 1.563 1.00 0.00 O ATOM 256 CB PHE A 17 -4.124 -26.230 3.418 1.00 0.00 C ATOM 257 CG PHE A 17 -2.817 -26.388 4.192 1.00 0.00 C ATOM 258 CD1 PHE A 17 -2.604 -25.655 5.380 1.00 0.00 C ATOM 259 CD2 PHE A 17 -1.803 -27.266 3.735 1.00 0.00 C ATOM 260 CE1 PHE A 17 -1.355 -25.695 6.023 1.00 0.00 C ATOM 261 CE2 PHE A 17 -0.546 -27.287 4.373 1.00 0.00 C ATOM 262 CZ PHE A 17 -0.312 -26.461 5.484 1.00 0.00 C ATOM 0 H PHE A 17 -6.333 -25.346 4.295 1.00 0.00 H new ATOM 0 HA PHE A 17 -3.981 -24.124 3.813 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -4.902 -26.787 3.939 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -4.002 -26.693 2.439 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -3.404 -25.061 5.796 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -1.993 -27.920 2.897 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -1.199 -25.135 6.933 1.00 0.00 H new ATOM 0 HE2 PHE A 17 0.235 -27.937 4.008 1.00 0.00 H new ATOM 0 HZ PHE A 17 0.673 -26.416 5.924 1.00 0.00 H new ATOM 272 N ARG A 18 -5.168 -24.819 0.771 1.00 0.00 N ATOM 273 CA ARG A 18 -5.022 -24.408 -0.636 1.00 0.00 C ATOM 274 C ARG A 18 -5.468 -22.966 -0.875 1.00 0.00 C ATOM 275 O ARG A 18 -4.940 -22.260 -1.730 1.00 0.00 O ATOM 276 CB ARG A 18 -5.739 -25.403 -1.562 1.00 0.00 C ATOM 277 CG ARG A 18 -7.275 -25.404 -1.553 1.00 0.00 C ATOM 278 CD ARG A 18 -7.979 -24.267 -2.313 1.00 0.00 C ATOM 279 NE ARG A 18 -7.916 -24.365 -3.792 1.00 0.00 N ATOM 280 CZ ARG A 18 -7.052 -23.743 -4.593 1.00 0.00 C ATOM 281 NH1 ARG A 18 -6.067 -23.010 -4.170 1.00 0.00 N ATOM 282 NH2 ARG A 18 -7.150 -23.822 -5.888 1.00 0.00 N ATOM 0 H ARG A 18 -5.887 -25.527 0.920 1.00 0.00 H new ATOM 0 HA ARG A 18 -3.960 -24.429 -0.879 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -5.409 -25.209 -2.583 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -5.401 -26.406 -1.303 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -7.615 -26.352 -1.970 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -7.608 -25.375 -0.515 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -9.026 -24.242 -2.010 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -7.537 -23.319 -2.008 1.00 0.00 H new ATOM 0 HE ARG A 18 -8.604 -24.970 -4.241 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -5.919 -22.883 -3.169 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -5.441 -22.561 -4.839 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -7.900 -24.369 -6.310 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -6.477 -23.337 -6.481 1.00 0.00 H new ATOM 296 N ASP A 19 -6.530 -22.593 -0.170 1.00 0.00 N ATOM 297 CA ASP A 19 -7.285 -21.362 -0.416 1.00 0.00 C ATOM 298 C ASP A 19 -6.426 -20.177 -0.032 1.00 0.00 C ATOM 299 O ASP A 19 -6.142 -19.317 -0.855 1.00 0.00 O ATOM 300 CB ASP A 19 -8.620 -21.424 0.345 1.00 0.00 C ATOM 301 CG ASP A 19 -9.319 -20.064 0.350 1.00 0.00 C ATOM 302 OD1 ASP A 19 -9.845 -19.670 -0.710 1.00 0.00 O ATOM 303 OD2 ASP A 19 -9.223 -19.343 1.371 1.00 0.00 O ATOM 0 H ASP A 19 -6.900 -23.145 0.604 1.00 0.00 H new ATOM 0 HA ASP A 19 -7.533 -21.250 -1.472 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -9.270 -22.168 -0.116 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -8.442 -21.748 1.370 1.00 0.00 H new ATOM 308 N TYR A 20 -5.899 -20.242 1.178 1.00 0.00 N ATOM 309 CA TYR A 20 -4.907 -19.295 1.680 1.00 0.00 C ATOM 310 C TYR A 20 -3.592 -19.410 0.901 1.00 0.00 C ATOM 311 O TYR A 20 -3.082 -18.384 0.455 1.00 0.00 O ATOM 312 CB TYR A 20 -4.708 -19.488 3.199 1.00 0.00 C ATOM 313 CG TYR A 20 -4.092 -18.312 3.958 1.00 0.00 C ATOM 314 CD1 TYR A 20 -2.918 -17.685 3.497 1.00 0.00 C ATOM 315 CD2 TYR A 20 -4.709 -17.816 5.129 1.00 0.00 C ATOM 316 CE1 TYR A 20 -2.426 -16.527 4.111 1.00 0.00 C ATOM 317 CE2 TYR A 20 -4.184 -16.683 5.787 1.00 0.00 C ATOM 318 CZ TYR A 20 -3.054 -16.019 5.259 1.00 0.00 C ATOM 319 OH TYR A 20 -2.590 -14.872 5.813 1.00 0.00 O ATOM 0 H TYR A 20 -6.149 -20.964 1.854 1.00 0.00 H new ATOM 0 HA TYR A 20 -5.275 -18.281 1.523 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -5.677 -19.713 3.645 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -4.076 -20.363 3.353 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -2.388 -18.105 2.655 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -5.587 -18.307 5.522 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -1.563 -16.024 3.701 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -4.646 -16.323 6.694 1.00 0.00 H new ATOM 0 HH TYR A 20 -3.346 -14.307 6.076 1.00 0.00 H new ATOM 329 N VAL A 21 -3.034 -20.614 0.719 1.00 0.00 N ATOM 330 CA VAL A 21 -1.655 -20.757 0.214 1.00 0.00 C ATOM 331 C VAL A 21 -1.369 -20.107 -1.131 1.00 0.00 C ATOM 332 O VAL A 21 -0.289 -19.541 -1.283 1.00 0.00 O ATOM 333 CB VAL A 21 -1.158 -22.203 0.237 1.00 0.00 C ATOM 334 CG1 VAL A 21 -1.793 -23.126 -0.782 1.00 0.00 C ATOM 335 CG2 VAL A 21 0.336 -22.291 0.062 1.00 0.00 C ATOM 0 H VAL A 21 -3.507 -21.497 0.911 1.00 0.00 H new ATOM 0 HA VAL A 21 -1.077 -20.180 0.936 1.00 0.00 H new ATOM 0 HB VAL A 21 -1.462 -22.545 1.226 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -1.371 -24.126 -0.681 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -2.869 -23.168 -0.614 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -1.597 -22.749 -1.786 1.00 0.00 H new ATOM 0 HG21 VAL A 21 0.644 -23.336 0.085 1.00 0.00 H new ATOM 0 HG22 VAL A 21 0.617 -21.851 -0.895 1.00 0.00 H new ATOM 0 HG23 VAL A 21 0.829 -21.750 0.869 1.00 0.00 H new ATOM 345 N ASP A 22 -2.312 -20.099 -2.073 1.00 0.00 N ATOM 346 CA ASP A 22 -2.118 -19.372 -3.323 1.00 0.00 C ATOM 347 C ASP A 22 -1.801 -17.870 -3.100 1.00 0.00 C ATOM 348 O ASP A 22 -0.790 -17.352 -3.582 1.00 0.00 O ATOM 349 CB ASP A 22 -3.372 -19.623 -4.152 1.00 0.00 C ATOM 350 CG ASP A 22 -3.362 -20.962 -4.922 1.00 0.00 C ATOM 351 OD1 ASP A 22 -2.323 -21.662 -4.939 1.00 0.00 O ATOM 352 OD2 ASP A 22 -4.435 -21.312 -5.469 1.00 0.00 O ATOM 0 H ASP A 22 -3.207 -20.582 -1.995 1.00 0.00 H new ATOM 0 HA ASP A 22 -1.238 -19.730 -3.858 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -4.240 -19.602 -3.493 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -3.493 -18.807 -4.865 1.00 0.00 H new ATOM 357 N ARG A 23 -2.598 -17.178 -2.273 1.00 0.00 N ATOM 358 CA ARG A 23 -2.339 -15.810 -1.777 1.00 0.00 C ATOM 359 C ARG A 23 -1.022 -15.620 -1.063 1.00 0.00 C ATOM 360 O ARG A 23 -0.392 -14.572 -1.207 1.00 0.00 O ATOM 361 CB ARG A 23 -3.440 -15.339 -0.814 1.00 0.00 C ATOM 362 CG ARG A 23 -4.730 -15.284 -1.606 1.00 0.00 C ATOM 363 CD ARG A 23 -5.607 -16.500 -1.413 1.00 0.00 C ATOM 364 NE ARG A 23 -6.656 -16.301 -0.396 1.00 0.00 N ATOM 365 CZ ARG A 23 -7.845 -16.881 -0.410 1.00 0.00 C ATOM 366 NH1 ARG A 23 -8.273 -17.584 -1.417 1.00 0.00 N ATOM 367 NH2 ARG A 23 -8.606 -16.806 0.638 1.00 0.00 N ATOM 0 H ARG A 23 -3.472 -17.565 -1.916 1.00 0.00 H new ATOM 0 HA ARG A 23 -2.316 -15.219 -2.692 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -3.534 -16.024 0.028 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -3.199 -14.359 -0.402 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -5.288 -14.394 -1.316 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -4.493 -15.181 -2.665 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -6.075 -16.758 -2.363 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -4.985 -17.347 -1.124 1.00 0.00 H new ATOM 0 HE ARG A 23 -6.449 -15.668 0.377 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -7.684 -17.706 -2.241 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -9.198 -18.013 -1.383 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -8.286 -16.302 1.465 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -9.524 -17.251 0.635 1.00 0.00 H new ATOM 381 N PHE A 24 -0.676 -16.599 -0.253 1.00 0.00 N ATOM 382 CA PHE A 24 0.587 -16.593 0.474 1.00 0.00 C ATOM 383 C PHE A 24 1.786 -16.672 -0.503 1.00 0.00 C ATOM 384 O PHE A 24 2.554 -15.710 -0.645 1.00 0.00 O ATOM 385 CB PHE A 24 0.565 -17.720 1.517 1.00 0.00 C ATOM 386 CG PHE A 24 1.881 -17.844 2.229 1.00 0.00 C ATOM 387 CD1 PHE A 24 2.141 -17.102 3.383 1.00 0.00 C ATOM 388 CD2 PHE A 24 2.914 -18.553 1.616 1.00 0.00 C ATOM 389 CE1 PHE A 24 3.465 -16.930 3.812 1.00 0.00 C ATOM 390 CE2 PHE A 24 4.232 -18.375 2.034 1.00 0.00 C ATOM 391 CZ PHE A 24 4.528 -17.499 3.097 1.00 0.00 C ATOM 0 H PHE A 24 -1.256 -17.420 -0.077 1.00 0.00 H new ATOM 0 HA PHE A 24 0.714 -15.653 1.011 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -0.225 -17.528 2.243 1.00 0.00 H new ATOM 0 HB3 PHE A 24 0.326 -18.664 1.028 1.00 0.00 H new ATOM 0 HD1 PHE A 24 1.327 -16.663 3.942 1.00 0.00 H new ATOM 0 HD2 PHE A 24 2.692 -19.242 0.815 1.00 0.00 H new ATOM 0 HE1 PHE A 24 3.668 -16.353 4.702 1.00 0.00 H new ATOM 0 HE2 PHE A 24 5.030 -18.911 1.541 1.00 0.00 H new ATOM 0 HZ PHE A 24 5.552 -17.271 3.355 1.00 0.00 H new ATOM 401 N TYR A 25 1.907 -17.782 -1.244 1.00 0.00 N ATOM 402 CA TYR A 25 3.072 -18.056 -2.089 1.00 0.00 C ATOM 403 C TYR A 25 3.200 -17.044 -3.249 1.00 0.00 C ATOM 404 O TYR A 25 4.324 -16.746 -3.649 1.00 0.00 O ATOM 405 CB TYR A 25 3.138 -19.547 -2.490 1.00 0.00 C ATOM 406 CG TYR A 25 4.157 -20.371 -1.692 1.00 0.00 C ATOM 407 CD1 TYR A 25 5.497 -20.433 -2.132 1.00 0.00 C ATOM 408 CD2 TYR A 25 3.803 -21.071 -0.514 1.00 0.00 C ATOM 409 CE1 TYR A 25 6.468 -21.174 -1.418 1.00 0.00 C ATOM 410 CE2 TYR A 25 4.774 -21.800 0.195 1.00 0.00 C ATOM 411 CZ TYR A 25 6.105 -21.869 -0.247 1.00 0.00 C ATOM 412 OH TYR A 25 7.015 -22.607 0.450 1.00 0.00 O ATOM 0 H TYR A 25 1.198 -18.515 -1.273 1.00 0.00 H new ATOM 0 HA TYR A 25 3.976 -17.890 -1.503 1.00 0.00 H new ATOM 0 HB2 TYR A 25 2.150 -19.990 -2.362 1.00 0.00 H new ATOM 0 HB3 TYR A 25 3.383 -19.616 -3.550 1.00 0.00 H new ATOM 0 HD1 TYR A 25 5.786 -19.906 -3.029 1.00 0.00 H new ATOM 0 HD2 TYR A 25 2.784 -21.045 -0.158 1.00 0.00 H new ATOM 0 HE1 TYR A 25 7.488 -21.207 -1.771 1.00 0.00 H new ATOM 0 HE2 TYR A 25 4.490 -22.318 1.099 1.00 0.00 H new ATOM 0 HH TYR A 25 6.580 -23.012 1.229 1.00 0.00 H new ATOM 422 N LYS A 26 2.102 -16.403 -3.690 1.00 0.00 N ATOM 423 CA LYS A 26 2.071 -15.234 -4.603 1.00 0.00 C ATOM 424 C LYS A 26 3.051 -14.107 -4.222 1.00 0.00 C ATOM 425 O LYS A 26 3.546 -13.405 -5.109 1.00 0.00 O ATOM 426 CB LYS A 26 0.596 -14.763 -4.695 1.00 0.00 C ATOM 427 CG LYS A 26 0.303 -13.344 -5.229 1.00 0.00 C ATOM 428 CD LYS A 26 0.385 -12.235 -4.161 1.00 0.00 C ATOM 429 CE LYS A 26 -0.780 -12.250 -3.161 1.00 0.00 C ATOM 430 NZ LYS A 26 -0.442 -11.480 -1.940 1.00 0.00 N ATOM 0 H LYS A 26 1.166 -16.696 -3.409 1.00 0.00 H new ATOM 0 HA LYS A 26 2.431 -15.536 -5.586 1.00 0.00 H new ATOM 0 HB2 LYS A 26 0.062 -15.471 -5.328 1.00 0.00 H new ATOM 0 HB3 LYS A 26 0.163 -14.837 -3.698 1.00 0.00 H new ATOM 0 HG2 LYS A 26 1.009 -13.116 -6.028 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -0.693 -13.333 -5.671 1.00 0.00 H new ATOM 0 HD2 LYS A 26 1.322 -12.339 -3.614 1.00 0.00 H new ATOM 0 HD3 LYS A 26 0.412 -11.266 -4.659 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -1.670 -11.827 -3.627 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -1.020 -13.279 -2.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -1.150 -11.670 -1.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 0.498 -11.765 -1.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -0.436 -10.464 -2.161 1.00 0.00 H new ATOM 444 N THR A 27 3.329 -13.909 -2.929 1.00 0.00 N ATOM 445 CA THR A 27 4.205 -12.843 -2.409 1.00 0.00 C ATOM 446 C THR A 27 5.456 -13.364 -1.730 1.00 0.00 C ATOM 447 O THR A 27 6.519 -12.848 -2.051 1.00 0.00 O ATOM 448 CB THR A 27 3.483 -11.868 -1.459 1.00 0.00 C ATOM 449 OG1 THR A 27 2.206 -12.333 -1.059 1.00 0.00 O ATOM 450 CG2 THR A 27 3.282 -10.558 -2.209 1.00 0.00 C ATOM 0 H THR A 27 2.943 -14.499 -2.192 1.00 0.00 H new ATOM 0 HA THR A 27 4.503 -12.297 -3.304 1.00 0.00 H new ATOM 0 HB THR A 27 4.095 -11.759 -0.564 1.00 0.00 H new ATOM 0 HG1 THR A 27 2.308 -12.992 -0.341 1.00 0.00 H new ATOM 0 HG21 THR A 27 2.772 -9.843 -1.563 1.00 0.00 H new ATOM 0 HG22 THR A 27 4.251 -10.154 -2.503 1.00 0.00 H new ATOM 0 HG23 THR A 27 2.679 -10.737 -3.099 1.00 0.00 H new ATOM 458 N LEU A 28 5.368 -14.433 -0.933 1.00 0.00 N ATOM 459 CA LEU A 28 6.546 -15.105 -0.354 1.00 0.00 C ATOM 460 C LEU A 28 7.669 -15.368 -1.370 1.00 0.00 C ATOM 461 O LEU A 28 8.838 -15.141 -1.079 1.00 0.00 O ATOM 462 CB LEU A 28 6.101 -16.396 0.330 1.00 0.00 C ATOM 463 CG LEU A 28 7.242 -17.174 1.022 1.00 0.00 C ATOM 464 CD1 LEU A 28 8.007 -18.083 0.052 1.00 0.00 C ATOM 465 CD2 LEU A 28 8.147 -16.323 1.905 1.00 0.00 C ATOM 0 H LEU A 28 4.481 -14.860 -0.668 1.00 0.00 H new ATOM 0 HA LEU A 28 6.981 -14.426 0.379 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.338 -16.157 1.071 1.00 0.00 H new ATOM 0 HB3 LEU A 28 5.633 -17.044 -0.411 1.00 0.00 H new ATOM 0 HG LEU A 28 6.743 -17.836 1.729 1.00 0.00 H new ATOM 0 HD11 LEU A 28 8.797 -18.606 0.590 1.00 0.00 H new ATOM 0 HD12 LEU A 28 7.321 -18.810 -0.383 1.00 0.00 H new ATOM 0 HD13 LEU A 28 8.447 -17.479 -0.742 1.00 0.00 H new ATOM 0 HD21 LEU A 28 8.918 -16.952 2.349 1.00 0.00 H new ATOM 0 HD22 LEU A 28 8.616 -15.545 1.303 1.00 0.00 H new ATOM 0 HD23 LEU A 28 7.555 -15.862 2.696 1.00 0.00 H new ATOM 477 N ARG A 29 7.336 -15.790 -2.597 1.00 0.00 N ATOM 478 CA ARG A 29 8.297 -15.964 -3.712 1.00 0.00 C ATOM 479 C ARG A 29 9.139 -14.725 -4.072 1.00 0.00 C ATOM 480 O ARG A 29 9.974 -14.820 -4.966 1.00 0.00 O ATOM 481 CB ARG A 29 7.565 -16.557 -4.931 1.00 0.00 C ATOM 482 CG ARG A 29 6.452 -15.649 -5.477 1.00 0.00 C ATOM 483 CD ARG A 29 6.908 -14.601 -6.505 1.00 0.00 C ATOM 484 NE ARG A 29 6.003 -13.436 -6.474 1.00 0.00 N ATOM 485 CZ ARG A 29 6.315 -12.156 -6.480 1.00 0.00 C ATOM 486 NH1 ARG A 29 7.529 -11.742 -6.719 1.00 0.00 N ATOM 487 NH2 ARG A 29 5.384 -11.283 -6.222 1.00 0.00 N ATOM 0 H ARG A 29 6.378 -16.026 -2.854 1.00 0.00 H new ATOM 0 HA ARG A 29 9.051 -16.666 -3.356 1.00 0.00 H new ATOM 0 HB2 ARG A 29 8.289 -16.747 -5.723 1.00 0.00 H new ATOM 0 HB3 ARG A 29 7.135 -17.520 -4.654 1.00 0.00 H new ATOM 0 HG2 ARG A 29 5.686 -16.275 -5.935 1.00 0.00 H new ATOM 0 HG3 ARG A 29 5.983 -15.133 -4.640 1.00 0.00 H new ATOM 0 HD2 ARG A 29 7.928 -14.285 -6.287 1.00 0.00 H new ATOM 0 HD3 ARG A 29 6.917 -15.039 -7.503 1.00 0.00 H new ATOM 0 HE ARG A 29 5.006 -13.649 -6.444 1.00 0.00 H new ATOM 0 HH11 ARG A 29 8.270 -12.417 -6.909 1.00 0.00 H new ATOM 0 HH12 ARG A 29 7.737 -10.743 -6.716 1.00 0.00 H new ATOM 0 HH21 ARG A 29 4.434 -11.595 -6.020 1.00 0.00 H new ATOM 0 HH22 ARG A 29 5.605 -10.287 -6.222 1.00 0.00 H new ATOM 501 N ALA A 30 8.887 -13.564 -3.464 1.00 0.00 N ATOM 502 CA ALA A 30 9.731 -12.369 -3.523 1.00 0.00 C ATOM 503 C ALA A 30 10.864 -12.349 -2.470 1.00 0.00 C ATOM 504 O ALA A 30 11.786 -11.555 -2.627 1.00 0.00 O ATOM 505 CB ALA A 30 8.837 -11.134 -3.341 1.00 0.00 C ATOM 0 H ALA A 30 8.054 -13.425 -2.893 1.00 0.00 H new ATOM 0 HA ALA A 30 10.224 -12.370 -4.495 1.00 0.00 H new ATOM 0 HB1 ALA A 30 9.449 -10.233 -3.382 1.00 0.00 H new ATOM 0 HB2 ALA A 30 8.092 -11.104 -4.136 1.00 0.00 H new ATOM 0 HB3 ALA A 30 8.335 -11.188 -2.375 1.00 0.00 H new ATOM 511 N GLU A 31 10.817 -13.209 -1.445 1.00 0.00 N ATOM 512 CA GLU A 31 11.843 -13.340 -0.398 1.00 0.00 C ATOM 513 C GLU A 31 12.528 -14.715 -0.471 1.00 0.00 C ATOM 514 O GLU A 31 13.645 -14.802 -0.975 1.00 0.00 O ATOM 515 CB GLU A 31 11.241 -13.101 1.002 1.00 0.00 C ATOM 516 CG GLU A 31 10.759 -11.658 1.231 1.00 0.00 C ATOM 517 CD GLU A 31 10.340 -11.376 2.689 1.00 0.00 C ATOM 518 OE1 GLU A 31 10.892 -12.030 3.604 1.00 0.00 O ATOM 519 OE2 GLU A 31 9.506 -10.461 2.878 1.00 0.00 O ATOM 0 H GLU A 31 10.039 -13.855 -1.316 1.00 0.00 H new ATOM 0 HA GLU A 31 12.599 -12.574 -0.573 1.00 0.00 H new ATOM 0 HB2 GLU A 31 10.403 -13.782 1.148 1.00 0.00 H new ATOM 0 HB3 GLU A 31 11.988 -13.349 1.756 1.00 0.00 H new ATOM 0 HG2 GLU A 31 11.555 -10.968 0.949 1.00 0.00 H new ATOM 0 HG3 GLU A 31 9.914 -11.456 0.572 1.00 0.00 H new ATOM 526 N GLN A 32 11.865 -15.806 -0.054 1.00 0.00 N ATOM 527 CA GLN A 32 12.511 -17.133 0.022 1.00 0.00 C ATOM 528 C GLN A 32 12.824 -17.755 -1.352 1.00 0.00 C ATOM 529 O GLN A 32 13.619 -18.689 -1.421 1.00 0.00 O ATOM 530 CB GLN A 32 11.659 -18.133 0.832 1.00 0.00 C ATOM 531 CG GLN A 32 11.382 -17.738 2.290 1.00 0.00 C ATOM 532 CD GLN A 32 12.685 -17.590 3.083 1.00 0.00 C ATOM 533 OE1 GLN A 32 13.274 -16.524 3.137 1.00 0.00 O ATOM 534 NE2 GLN A 32 13.226 -18.616 3.706 1.00 0.00 N ATOM 0 H GLN A 32 10.887 -15.799 0.235 1.00 0.00 H new ATOM 0 HA GLN A 32 13.459 -16.947 0.527 1.00 0.00 H new ATOM 0 HB2 GLN A 32 10.705 -18.266 0.323 1.00 0.00 H new ATOM 0 HB3 GLN A 32 12.162 -19.100 0.825 1.00 0.00 H new ATOM 0 HG2 GLN A 32 10.829 -16.799 2.316 1.00 0.00 H new ATOM 0 HG3 GLN A 32 10.751 -18.492 2.760 1.00 0.00 H new ATOM 0 HE21 GLN A 32 12.765 -19.526 3.686 1.00 0.00 H new ATOM 0 HE22 GLN A 32 14.106 -18.501 4.209 1.00 0.00 H new ATOM 543 N ALA A 33 12.176 -17.273 -2.423 1.00 0.00 N ATOM 544 CA ALA A 33 12.324 -17.679 -3.829 1.00 0.00 C ATOM 545 C ALA A 33 12.607 -19.186 -4.091 1.00 0.00 C ATOM 546 O ALA A 33 13.416 -19.535 -4.952 1.00 0.00 O ATOM 547 CB ALA A 33 13.350 -16.733 -4.470 1.00 0.00 C ATOM 0 H ALA A 33 11.482 -16.533 -2.321 1.00 0.00 H new ATOM 0 HA ALA A 33 11.351 -17.579 -4.310 1.00 0.00 H new ATOM 0 HB1 ALA A 33 13.488 -17.002 -5.517 1.00 0.00 H new ATOM 0 HB2 ALA A 33 12.990 -15.706 -4.404 1.00 0.00 H new ATOM 0 HB3 ALA A 33 14.301 -16.818 -3.945 1.00 0.00 H new ATOM 553 N SER A 34 11.955 -20.093 -3.351 1.00 0.00 N ATOM 554 CA SER A 34 12.302 -21.522 -3.352 1.00 0.00 C ATOM 555 C SER A 34 11.163 -22.448 -2.901 1.00 0.00 C ATOM 556 O SER A 34 10.132 -22.014 -2.388 1.00 0.00 O ATOM 557 CB SER A 34 13.520 -21.737 -2.440 1.00 0.00 C ATOM 558 OG SER A 34 13.217 -21.345 -1.121 1.00 0.00 O ATOM 0 H SER A 34 11.175 -19.859 -2.737 1.00 0.00 H new ATOM 0 HA SER A 34 12.518 -21.789 -4.387 1.00 0.00 H new ATOM 0 HB2 SER A 34 13.815 -22.786 -2.456 1.00 0.00 H new ATOM 0 HB3 SER A 34 14.368 -21.162 -2.812 1.00 0.00 H new ATOM 0 HG SER A 34 13.268 -20.369 -1.050 1.00 0.00 H new ATOM 564 N GLN A 35 11.385 -23.756 -3.079 1.00 0.00 N ATOM 565 CA GLN A 35 10.531 -24.863 -2.627 1.00 0.00 C ATOM 566 C GLN A 35 10.998 -25.386 -1.243 1.00 0.00 C ATOM 567 O GLN A 35 11.112 -26.592 -1.027 1.00 0.00 O ATOM 568 CB GLN A 35 10.565 -25.951 -3.725 1.00 0.00 C ATOM 569 CG GLN A 35 9.386 -26.941 -3.682 1.00 0.00 C ATOM 570 CD GLN A 35 8.094 -26.356 -4.248 1.00 0.00 C ATOM 571 OE1 GLN A 35 8.042 -25.845 -5.350 1.00 0.00 O ATOM 572 NE2 GLN A 35 6.986 -26.421 -3.542 1.00 0.00 N ATOM 0 H GLN A 35 12.214 -24.090 -3.571 1.00 0.00 H new ATOM 0 HA GLN A 35 9.501 -24.536 -2.484 1.00 0.00 H new ATOM 0 HB2 GLN A 35 10.579 -25.464 -4.700 1.00 0.00 H new ATOM 0 HB3 GLN A 35 11.496 -26.511 -3.635 1.00 0.00 H new ATOM 0 HG2 GLN A 35 9.650 -27.836 -4.245 1.00 0.00 H new ATOM 0 HG3 GLN A 35 9.217 -27.251 -2.651 1.00 0.00 H new ATOM 0 HE21 GLN A 35 6.997 -26.844 -2.614 1.00 0.00 H new ATOM 0 HE22 GLN A 35 6.116 -26.049 -3.923 1.00 0.00 H new ATOM 581 N GLU A 36 11.383 -24.476 -0.342 1.00 0.00 N ATOM 582 CA GLU A 36 11.999 -24.754 0.966 1.00 0.00 C ATOM 583 C GLU A 36 11.225 -25.774 1.819 1.00 0.00 C ATOM 584 O GLU A 36 10.117 -25.504 2.282 1.00 0.00 O ATOM 585 CB GLU A 36 12.187 -23.427 1.720 1.00 0.00 C ATOM 586 CG GLU A 36 12.871 -23.601 3.082 1.00 0.00 C ATOM 587 CD GLU A 36 13.376 -22.245 3.604 1.00 0.00 C ATOM 588 OE1 GLU A 36 12.543 -21.337 3.839 1.00 0.00 O ATOM 589 OE2 GLU A 36 14.609 -22.121 3.762 1.00 0.00 O ATOM 0 H GLU A 36 11.269 -23.476 -0.510 1.00 0.00 H new ATOM 0 HA GLU A 36 12.964 -25.224 0.777 1.00 0.00 H new ATOM 0 HB2 GLU A 36 12.779 -22.748 1.107 1.00 0.00 H new ATOM 0 HB3 GLU A 36 11.214 -22.958 1.866 1.00 0.00 H new ATOM 0 HG2 GLU A 36 12.170 -24.035 3.795 1.00 0.00 H new ATOM 0 HG3 GLU A 36 13.705 -24.297 2.991 1.00 0.00 H new ATOM 596 N VAL A 37 11.829 -26.945 2.071 1.00 0.00 N ATOM 597 CA VAL A 37 11.217 -28.032 2.861 1.00 0.00 C ATOM 598 C VAL A 37 10.999 -27.634 4.324 1.00 0.00 C ATOM 599 O VAL A 37 9.976 -27.965 4.912 1.00 0.00 O ATOM 600 CB VAL A 37 12.065 -29.314 2.744 1.00 0.00 C ATOM 601 CG1 VAL A 37 11.537 -30.480 3.591 1.00 0.00 C ATOM 602 CG2 VAL A 37 12.118 -29.803 1.287 1.00 0.00 C ATOM 0 H VAL A 37 12.764 -27.169 1.731 1.00 0.00 H new ATOM 0 HA VAL A 37 10.228 -28.230 2.447 1.00 0.00 H new ATOM 0 HB VAL A 37 13.052 -29.032 3.111 1.00 0.00 H new ATOM 0 HG11 VAL A 37 12.183 -31.348 3.459 1.00 0.00 H new ATOM 0 HG12 VAL A 37 11.528 -30.191 4.642 1.00 0.00 H new ATOM 0 HG13 VAL A 37 10.524 -30.730 3.275 1.00 0.00 H new ATOM 0 HG21 VAL A 37 12.722 -30.709 1.229 1.00 0.00 H new ATOM 0 HG22 VAL A 37 11.108 -30.017 0.938 1.00 0.00 H new ATOM 0 HG23 VAL A 37 12.562 -29.030 0.660 1.00 0.00 H new ATOM 612 N LYS A 38 11.917 -26.859 4.918 1.00 0.00 N ATOM 613 CA LYS A 38 11.810 -26.299 6.274 1.00 0.00 C ATOM 614 C LYS A 38 10.914 -25.046 6.301 1.00 0.00 C ATOM 615 O LYS A 38 11.247 -24.049 6.933 1.00 0.00 O ATOM 616 CB LYS A 38 13.247 -26.085 6.809 1.00 0.00 C ATOM 617 CG LYS A 38 13.456 -26.842 8.121 1.00 0.00 C ATOM 618 CD LYS A 38 12.806 -26.131 9.318 1.00 0.00 C ATOM 619 CE LYS A 38 12.745 -27.047 10.540 1.00 0.00 C ATOM 620 NZ LYS A 38 12.195 -26.332 11.712 1.00 0.00 N ATOM 0 H LYS A 38 12.785 -26.595 4.452 1.00 0.00 H new ATOM 0 HA LYS A 38 11.303 -26.989 6.949 1.00 0.00 H new ATOM 0 HB2 LYS A 38 13.970 -26.426 6.068 1.00 0.00 H new ATOM 0 HB3 LYS A 38 13.427 -25.021 6.965 1.00 0.00 H new ATOM 0 HG2 LYS A 38 13.040 -27.845 8.028 1.00 0.00 H new ATOM 0 HG3 LYS A 38 14.524 -26.955 8.306 1.00 0.00 H new ATOM 0 HD2 LYS A 38 13.373 -25.233 9.562 1.00 0.00 H new ATOM 0 HD3 LYS A 38 11.799 -25.810 9.051 1.00 0.00 H new ATOM 0 HE2 LYS A 38 12.126 -27.916 10.317 1.00 0.00 H new ATOM 0 HE3 LYS A 38 13.744 -27.417 10.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 11.641 -26.993 12.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 12.975 -25.942 12.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 11.581 -25.557 11.389 1.00 0.00 H new ATOM 634 N ASN A 39 9.790 -25.103 5.585 1.00 0.00 N ATOM 635 CA ASN A 39 8.929 -23.967 5.242 1.00 0.00 C ATOM 636 C ASN A 39 8.627 -22.992 6.406 1.00 0.00 C ATOM 637 O ASN A 39 8.775 -21.785 6.237 1.00 0.00 O ATOM 638 CB ASN A 39 7.700 -24.499 4.466 1.00 0.00 C ATOM 639 CG ASN A 39 6.415 -24.539 5.270 1.00 0.00 C ATOM 640 OD1 ASN A 39 6.320 -25.131 6.331 1.00 0.00 O ATOM 641 ND2 ASN A 39 5.382 -23.899 4.774 1.00 0.00 N ATOM 0 H ASN A 39 9.437 -25.984 5.210 1.00 0.00 H new ATOM 0 HA ASN A 39 9.479 -23.298 4.579 1.00 0.00 H new ATOM 0 HB2 ASN A 39 7.544 -23.874 3.587 1.00 0.00 H new ATOM 0 HB3 ASN A 39 7.920 -25.505 4.108 1.00 0.00 H new ATOM 0 HD21 ASN A 39 4.495 -23.896 5.277 1.00 0.00 H new ATOM 0 HD22 ASN A 39 5.467 -23.405 3.886 1.00 0.00 H new ATOM 648 N ALA A 40 8.295 -23.483 7.604 1.00 0.00 N ATOM 649 CA ALA A 40 7.945 -22.651 8.761 1.00 0.00 C ATOM 650 C ALA A 40 9.084 -21.774 9.342 1.00 0.00 C ATOM 651 O ALA A 40 8.854 -21.056 10.313 1.00 0.00 O ATOM 652 CB ALA A 40 7.315 -23.551 9.828 1.00 0.00 C ATOM 0 H ALA A 40 8.261 -24.483 7.801 1.00 0.00 H new ATOM 0 HA ALA A 40 7.234 -21.906 8.403 1.00 0.00 H new ATOM 0 HB1 ALA A 40 7.047 -22.951 10.698 1.00 0.00 H new ATOM 0 HB2 ALA A 40 6.420 -24.023 9.423 1.00 0.00 H new ATOM 0 HB3 ALA A 40 8.029 -24.320 10.123 1.00 0.00 H new ATOM 658 N MET A 41 10.300 -21.773 8.770 1.00 0.00 N ATOM 659 CA MET A 41 11.334 -20.778 9.117 1.00 0.00 C ATOM 660 C MET A 41 10.956 -19.341 8.705 1.00 0.00 C ATOM 661 O MET A 41 11.587 -18.391 9.163 1.00 0.00 O ATOM 662 CB MET A 41 12.683 -21.142 8.483 1.00 0.00 C ATOM 663 CG MET A 41 13.254 -22.433 9.075 1.00 0.00 C ATOM 664 SD MET A 41 14.960 -22.847 8.604 1.00 0.00 S ATOM 665 CE MET A 41 14.924 -22.507 6.818 1.00 0.00 C ATOM 0 H MET A 41 10.593 -22.449 8.065 1.00 0.00 H new ATOM 0 HA MET A 41 11.413 -20.803 10.204 1.00 0.00 H new ATOM 0 HB2 MET A 41 12.560 -21.258 7.406 1.00 0.00 H new ATOM 0 HB3 MET A 41 13.390 -20.327 8.637 1.00 0.00 H new ATOM 0 HG2 MET A 41 13.206 -22.362 10.162 1.00 0.00 H new ATOM 0 HG3 MET A 41 12.607 -23.260 8.781 1.00 0.00 H new ATOM 0 HE1 MET A 41 15.725 -23.059 6.326 1.00 0.00 H new ATOM 0 HE2 MET A 41 13.964 -22.819 6.408 1.00 0.00 H new ATOM 0 HE3 MET A 41 15.062 -21.439 6.648 1.00 0.00 H new ATOM 675 N THR A 42 9.935 -19.176 7.861 1.00 0.00 N ATOM 676 CA THR A 42 9.372 -17.892 7.421 1.00 0.00 C ATOM 677 C THR A 42 7.887 -17.777 7.759 1.00 0.00 C ATOM 678 O THR A 42 7.286 -18.681 8.333 1.00 0.00 O ATOM 679 CB THR A 42 9.589 -17.675 5.903 1.00 0.00 C ATOM 680 OG1 THR A 42 9.682 -18.892 5.190 1.00 0.00 O ATOM 681 CG2 THR A 42 10.867 -16.875 5.704 1.00 0.00 C ATOM 0 H THR A 42 9.453 -19.972 7.444 1.00 0.00 H new ATOM 0 HA THR A 42 9.904 -17.112 7.965 1.00 0.00 H new ATOM 0 HB THR A 42 8.724 -17.138 5.513 1.00 0.00 H new ATOM 0 HG1 THR A 42 8.828 -19.077 4.746 1.00 0.00 H new ATOM 0 HG21 THR A 42 11.033 -16.714 4.639 1.00 0.00 H new ATOM 0 HG22 THR A 42 10.775 -15.912 6.207 1.00 0.00 H new ATOM 0 HG23 THR A 42 11.709 -17.425 6.124 1.00 0.00 H new ATOM 689 N GLU A 43 7.275 -16.658 7.360 1.00 0.00 N ATOM 690 CA GLU A 43 5.823 -16.422 7.369 1.00 0.00 C ATOM 691 C GLU A 43 4.969 -17.542 6.738 1.00 0.00 C ATOM 692 O GLU A 43 3.754 -17.527 6.887 1.00 0.00 O ATOM 693 CB GLU A 43 5.530 -15.082 6.666 1.00 0.00 C ATOM 694 CG GLU A 43 6.287 -14.894 5.335 1.00 0.00 C ATOM 695 CD GLU A 43 5.523 -14.027 4.325 1.00 0.00 C ATOM 696 OE1 GLU A 43 5.028 -12.947 4.714 1.00 0.00 O ATOM 697 OE2 GLU A 43 5.383 -14.496 3.173 1.00 0.00 O ATOM 0 H GLU A 43 7.797 -15.856 7.007 1.00 0.00 H new ATOM 0 HA GLU A 43 5.530 -16.402 8.419 1.00 0.00 H new ATOM 0 HB2 GLU A 43 4.459 -15.009 6.477 1.00 0.00 H new ATOM 0 HB3 GLU A 43 5.791 -14.265 7.339 1.00 0.00 H new ATOM 0 HG2 GLU A 43 7.256 -14.438 5.536 1.00 0.00 H new ATOM 0 HG3 GLU A 43 6.480 -15.871 4.893 1.00 0.00 H new ATOM 704 N THR A 44 5.591 -18.482 6.032 1.00 0.00 N ATOM 705 CA THR A 44 5.094 -19.660 5.306 1.00 0.00 C ATOM 706 C THR A 44 4.154 -20.595 6.061 1.00 0.00 C ATOM 707 O THR A 44 4.454 -21.761 6.312 1.00 0.00 O ATOM 708 CB THR A 44 6.281 -20.386 4.662 1.00 0.00 C ATOM 709 OG1 THR A 44 7.218 -19.460 4.163 1.00 0.00 O ATOM 710 CG2 THR A 44 5.856 -21.169 3.431 1.00 0.00 C ATOM 0 H THR A 44 6.606 -18.431 5.940 1.00 0.00 H new ATOM 0 HA THR A 44 4.424 -19.275 4.538 1.00 0.00 H new ATOM 0 HB THR A 44 6.688 -21.030 5.441 1.00 0.00 H new ATOM 0 HG1 THR A 44 6.749 -18.746 3.683 1.00 0.00 H new ATOM 0 HG21 THR A 44 6.723 -21.670 3.001 1.00 0.00 H new ATOM 0 HG22 THR A 44 5.110 -21.912 3.712 1.00 0.00 H new ATOM 0 HG23 THR A 44 5.430 -20.487 2.695 1.00 0.00 H new ATOM 718 N LEU A 45 2.951 -20.097 6.339 1.00 0.00 N ATOM 719 CA LEU A 45 1.892 -20.830 7.034 1.00 0.00 C ATOM 720 C LEU A 45 1.391 -22.109 6.309 1.00 0.00 C ATOM 721 O LEU A 45 0.648 -22.880 6.908 1.00 0.00 O ATOM 722 CB LEU A 45 0.681 -19.911 7.309 1.00 0.00 C ATOM 723 CG LEU A 45 0.822 -18.387 7.459 1.00 0.00 C ATOM 724 CD1 LEU A 45 -0.548 -17.711 7.382 1.00 0.00 C ATOM 725 CD2 LEU A 45 1.460 -18.021 8.798 1.00 0.00 C ATOM 0 H LEU A 45 2.678 -19.149 6.081 1.00 0.00 H new ATOM 0 HA LEU A 45 2.357 -21.161 7.962 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -0.030 -20.081 6.501 1.00 0.00 H new ATOM 0 HB3 LEU A 45 0.215 -20.274 8.225 1.00 0.00 H new ATOM 0 HG LEU A 45 1.459 -18.041 6.645 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.428 -16.633 7.490 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -1.008 -17.930 6.419 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.185 -18.087 8.182 1.00 0.00 H new ATOM 0 HD21 LEU A 45 1.547 -16.937 8.876 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.838 -18.394 9.612 1.00 0.00 H new ATOM 0 HD23 LEU A 45 2.451 -18.470 8.864 1.00 0.00 H new ATOM 737 N LEU A 46 1.693 -22.309 5.019 1.00 0.00 N ATOM 738 CA LEU A 46 1.118 -23.359 4.156 1.00 0.00 C ATOM 739 C LEU A 46 1.908 -23.535 2.842 1.00 0.00 C ATOM 740 O LEU A 46 2.766 -22.713 2.541 1.00 0.00 O ATOM 741 CB LEU A 46 -0.398 -23.127 3.906 1.00 0.00 C ATOM 742 CG LEU A 46 -1.037 -21.716 3.805 1.00 0.00 C ATOM 743 CD1 LEU A 46 -1.882 -21.431 5.044 1.00 0.00 C ATOM 744 CD2 LEU A 46 -0.111 -20.538 3.482 1.00 0.00 C ATOM 0 H LEU A 46 2.369 -21.725 4.526 1.00 0.00 H new ATOM 0 HA LEU A 46 1.212 -24.301 4.696 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -0.639 -23.642 2.976 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -0.925 -23.648 4.705 1.00 0.00 H new ATOM 0 HG LEU A 46 -1.658 -21.778 2.911 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -2.325 -20.439 4.962 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -2.673 -22.176 5.124 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -1.252 -21.474 5.932 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -0.693 -19.617 3.443 1.00 0.00 H new ATOM 0 HD22 LEU A 46 0.652 -20.452 4.256 1.00 0.00 H new ATOM 0 HD23 LEU A 46 0.368 -20.705 2.517 1.00 0.00 H new ATOM 756 N VAL A 47 1.628 -24.595 2.061 1.00 0.00 N ATOM 757 CA VAL A 47 2.340 -25.002 0.815 1.00 0.00 C ATOM 758 C VAL A 47 1.396 -25.592 -0.244 1.00 0.00 C ATOM 759 O VAL A 47 0.542 -26.427 0.044 1.00 0.00 O ATOM 760 CB VAL A 47 3.472 -26.003 1.115 1.00 0.00 C ATOM 761 CG1 VAL A 47 3.972 -26.833 -0.080 1.00 0.00 C ATOM 762 CG2 VAL A 47 4.663 -25.192 1.623 1.00 0.00 C ATOM 0 H VAL A 47 0.861 -25.229 2.285 1.00 0.00 H new ATOM 0 HA VAL A 47 2.769 -24.087 0.405 1.00 0.00 H new ATOM 0 HB VAL A 47 3.060 -26.718 1.827 1.00 0.00 H new ATOM 0 HG11 VAL A 47 4.767 -27.502 0.249 1.00 0.00 H new ATOM 0 HG12 VAL A 47 3.148 -27.421 -0.485 1.00 0.00 H new ATOM 0 HG13 VAL A 47 4.355 -26.165 -0.852 1.00 0.00 H new ATOM 0 HG21 VAL A 47 5.491 -25.864 1.849 1.00 0.00 H new ATOM 0 HG22 VAL A 47 4.972 -24.480 0.857 1.00 0.00 H new ATOM 0 HG23 VAL A 47 4.377 -24.652 2.526 1.00 0.00 H new ATOM 772 N GLN A 48 1.557 -25.121 -1.485 1.00 0.00 N ATOM 773 CA GLN A 48 0.652 -25.356 -2.624 1.00 0.00 C ATOM 774 C GLN A 48 0.487 -26.828 -3.012 1.00 0.00 C ATOM 775 O GLN A 48 -0.605 -27.231 -3.406 1.00 0.00 O ATOM 776 CB GLN A 48 1.120 -24.541 -3.846 1.00 0.00 C ATOM 777 CG GLN A 48 0.817 -23.053 -3.639 1.00 0.00 C ATOM 778 CD GLN A 48 1.300 -22.155 -4.764 1.00 0.00 C ATOM 779 OE1 GLN A 48 2.491 -21.941 -4.940 1.00 0.00 O ATOM 780 NE2 GLN A 48 0.394 -21.571 -5.514 1.00 0.00 N ATOM 0 H GLN A 48 2.356 -24.539 -1.738 1.00 0.00 H new ATOM 0 HA GLN A 48 -0.332 -25.024 -2.292 1.00 0.00 H new ATOM 0 HB2 GLN A 48 2.190 -24.684 -3.999 1.00 0.00 H new ATOM 0 HB3 GLN A 48 0.619 -24.900 -4.745 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -0.260 -22.926 -3.525 1.00 0.00 H new ATOM 0 HG3 GLN A 48 1.277 -22.727 -2.706 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -0.596 -21.758 -5.357 1.00 0.00 H new ATOM 0 HE22 GLN A 48 0.680 -20.930 -6.254 1.00 0.00 H new ATOM 789 N ASN A 49 1.537 -27.645 -2.852 1.00 0.00 N ATOM 790 CA ASN A 49 1.523 -29.080 -3.183 1.00 0.00 C ATOM 791 C ASN A 49 0.558 -29.930 -2.323 1.00 0.00 C ATOM 792 O ASN A 49 0.496 -31.150 -2.476 1.00 0.00 O ATOM 793 CB ASN A 49 2.963 -29.625 -3.114 1.00 0.00 C ATOM 794 CG ASN A 49 3.101 -30.888 -3.946 1.00 0.00 C ATOM 795 OD1 ASN A 49 2.890 -30.886 -5.142 1.00 0.00 O ATOM 796 ND2 ASN A 49 3.476 -32.003 -3.368 1.00 0.00 N ATOM 0 H ASN A 49 2.433 -27.325 -2.484 1.00 0.00 H new ATOM 0 HA ASN A 49 1.130 -29.168 -4.196 1.00 0.00 H new ATOM 0 HB2 ASN A 49 3.661 -28.869 -3.474 1.00 0.00 H new ATOM 0 HB3 ASN A 49 3.228 -29.836 -2.078 1.00 0.00 H new ATOM 0 HD21 ASN A 49 3.587 -32.852 -3.922 1.00 0.00 H new ATOM 0 HD22 ASN A 49 3.657 -32.021 -2.364 1.00 0.00 H new ATOM 803 N ALA A 50 -0.163 -29.314 -1.382 1.00 0.00 N ATOM 804 CA ALA A 50 -1.161 -29.980 -0.558 1.00 0.00 C ATOM 805 C ALA A 50 -2.164 -30.770 -1.426 1.00 0.00 C ATOM 806 O ALA A 50 -2.846 -30.197 -2.276 1.00 0.00 O ATOM 807 CB ALA A 50 -1.817 -28.904 0.307 1.00 0.00 C ATOM 0 H ALA A 50 -0.064 -28.321 -1.172 1.00 0.00 H new ATOM 0 HA ALA A 50 -0.708 -30.729 0.091 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -2.575 -29.361 0.943 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -1.060 -28.426 0.930 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -2.284 -28.156 -0.334 1.00 0.00 H new ATOM 813 N ASN A 51 -2.294 -32.071 -1.183 1.00 0.00 N ATOM 814 CA ASN A 51 -3.036 -33.037 -2.011 1.00 0.00 C ATOM 815 C ASN A 51 -4.450 -33.248 -1.409 1.00 0.00 C ATOM 816 O ASN A 51 -4.811 -32.426 -0.562 1.00 0.00 O ATOM 817 CB ASN A 51 -2.158 -34.290 -2.174 1.00 0.00 C ATOM 818 CG ASN A 51 -2.172 -35.228 -0.993 1.00 0.00 C ATOM 819 OD1 ASN A 51 -2.512 -34.859 0.120 1.00 0.00 O ATOM 820 ND2 ASN A 51 -1.890 -36.475 -1.251 1.00 0.00 N ATOM 0 H ASN A 51 -1.867 -32.508 -0.366 1.00 0.00 H new ATOM 0 HA ASN A 51 -3.231 -32.684 -3.024 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -2.488 -34.836 -3.058 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -1.131 -33.976 -2.359 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -1.951 -37.175 -0.512 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -1.609 -36.750 -2.192 1.00 0.00 H new ATOM 827 N PRO A 52 -5.335 -34.182 -1.819 1.00 0.00 N ATOM 828 CA PRO A 52 -6.663 -34.225 -1.195 1.00 0.00 C ATOM 829 C PRO A 52 -6.556 -34.594 0.295 1.00 0.00 C ATOM 830 O PRO A 52 -7.152 -33.936 1.156 1.00 0.00 O ATOM 831 CB PRO A 52 -7.473 -35.232 -2.015 1.00 0.00 C ATOM 832 CG PRO A 52 -6.420 -36.161 -2.618 1.00 0.00 C ATOM 833 CD PRO A 52 -5.186 -35.271 -2.780 1.00 0.00 C ATOM 0 HA PRO A 52 -7.160 -33.255 -1.203 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -8.176 -35.781 -1.389 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -8.057 -34.736 -2.790 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -6.216 -37.010 -1.965 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -6.747 -36.567 -3.575 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -4.273 -35.835 -2.590 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -5.116 -34.885 -3.797 1.00 0.00 H new ATOM 841 N ASP A 53 -5.719 -35.583 0.601 1.00 0.00 N ATOM 842 CA ASP A 53 -5.676 -36.181 1.939 1.00 0.00 C ATOM 843 C ASP A 53 -5.059 -35.198 2.943 1.00 0.00 C ATOM 844 O ASP A 53 -5.643 -34.939 3.992 1.00 0.00 O ATOM 845 CB ASP A 53 -4.932 -37.530 1.918 1.00 0.00 C ATOM 846 CG ASP A 53 -4.925 -38.178 0.530 1.00 0.00 C ATOM 847 OD1 ASP A 53 -5.945 -38.783 0.131 1.00 0.00 O ATOM 848 OD2 ASP A 53 -3.918 -37.941 -0.178 1.00 0.00 O ATOM 0 H ASP A 53 -5.058 -35.990 -0.060 1.00 0.00 H new ATOM 0 HA ASP A 53 -6.696 -36.387 2.263 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -3.905 -37.379 2.250 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -5.400 -38.210 2.630 1.00 0.00 H new ATOM 853 N CYS A 54 -3.942 -34.551 2.574 1.00 0.00 N ATOM 854 CA CYS A 54 -3.271 -33.494 3.345 1.00 0.00 C ATOM 855 C CYS A 54 -4.244 -32.419 3.832 1.00 0.00 C ATOM 856 O CYS A 54 -4.257 -32.092 5.013 1.00 0.00 O ATOM 857 CB CYS A 54 -2.155 -32.883 2.477 1.00 0.00 C ATOM 858 SG CYS A 54 -1.646 -31.220 2.988 1.00 0.00 S ATOM 0 H CYS A 54 -3.464 -34.758 1.697 1.00 0.00 H new ATOM 0 HA CYS A 54 -2.842 -33.938 4.243 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -1.287 -33.541 2.504 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -2.494 -32.845 1.442 1.00 0.00 H new ATOM 0 HG CYS A 54 -0.552 -31.296 3.685 1.00 0.00 H new ATOM 864 N LYS A 55 -5.090 -31.875 2.957 1.00 0.00 N ATOM 865 CA LYS A 55 -6.035 -30.831 3.373 1.00 0.00 C ATOM 866 C LYS A 55 -7.022 -31.328 4.415 1.00 0.00 C ATOM 867 O LYS A 55 -7.219 -30.627 5.403 1.00 0.00 O ATOM 868 CB LYS A 55 -6.804 -30.264 2.188 1.00 0.00 C ATOM 869 CG LYS A 55 -6.086 -29.057 1.549 1.00 0.00 C ATOM 870 CD LYS A 55 -5.262 -29.393 0.304 1.00 0.00 C ATOM 871 CE LYS A 55 -6.217 -29.603 -0.875 1.00 0.00 C ATOM 872 NZ LYS A 55 -5.501 -30.182 -2.024 1.00 0.00 N ATOM 0 H LYS A 55 -5.143 -32.132 1.971 1.00 0.00 H new ATOM 0 HA LYS A 55 -5.429 -30.042 3.818 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -6.938 -31.043 1.438 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -7.799 -29.961 2.514 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -6.831 -28.306 1.284 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -5.429 -28.606 2.293 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -4.563 -28.586 0.085 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -4.669 -30.291 0.475 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -7.032 -30.263 -0.577 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -6.666 -28.652 -1.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -5.896 -29.801 -2.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -4.492 -29.939 -1.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -5.609 -31.216 -2.015 1.00 0.00 H new ATOM 886 N THR A 56 -7.605 -32.514 4.225 1.00 0.00 N ATOM 887 CA THR A 56 -8.457 -33.116 5.265 1.00 0.00 C ATOM 888 C THR A 56 -7.688 -33.392 6.568 1.00 0.00 C ATOM 889 O THR A 56 -8.299 -33.488 7.631 1.00 0.00 O ATOM 890 CB THR A 56 -9.157 -34.372 4.723 1.00 0.00 C ATOM 891 OG1 THR A 56 -10.030 -33.954 3.696 1.00 0.00 O ATOM 892 CG2 THR A 56 -10.031 -35.111 5.735 1.00 0.00 C ATOM 0 H THR A 56 -7.508 -33.072 3.377 1.00 0.00 H new ATOM 0 HA THR A 56 -9.226 -32.389 5.526 1.00 0.00 H new ATOM 0 HB THR A 56 -8.363 -35.052 4.413 1.00 0.00 H new ATOM 0 HG1 THR A 56 -10.494 -34.733 3.324 1.00 0.00 H new ATOM 0 HG21 THR A 56 -10.482 -35.982 5.259 1.00 0.00 H new ATOM 0 HG22 THR A 56 -9.419 -35.434 6.577 1.00 0.00 H new ATOM 0 HG23 THR A 56 -10.817 -34.445 6.092 1.00 0.00 H new ATOM 900 N ILE A 57 -6.356 -33.468 6.501 1.00 0.00 N ATOM 901 CA ILE A 57 -5.496 -33.779 7.654 1.00 0.00 C ATOM 902 C ILE A 57 -5.164 -32.517 8.448 1.00 0.00 C ATOM 903 O ILE A 57 -5.627 -32.409 9.585 1.00 0.00 O ATOM 904 CB ILE A 57 -4.250 -34.565 7.201 1.00 0.00 C ATOM 905 CG1 ILE A 57 -4.667 -36.008 6.850 1.00 0.00 C ATOM 906 CG2 ILE A 57 -3.104 -34.590 8.224 1.00 0.00 C ATOM 907 CD1 ILE A 57 -3.653 -36.649 5.908 1.00 0.00 C ATOM 0 H ILE A 57 -5.836 -33.314 5.637 1.00 0.00 H new ATOM 0 HA ILE A 57 -6.039 -34.428 8.340 1.00 0.00 H new ATOM 0 HB ILE A 57 -3.855 -34.040 6.331 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -4.749 -36.600 7.762 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -5.652 -36.004 6.383 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -2.270 -35.164 7.822 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -2.777 -33.571 8.429 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -3.451 -35.053 9.148 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -3.967 -37.666 5.673 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -3.592 -36.067 4.988 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -2.675 -36.673 6.388 1.00 0.00 H new ATOM 919 N LEU A 58 -4.435 -31.530 7.893 1.00 0.00 N ATOM 920 CA LEU A 58 -4.068 -30.349 8.693 1.00 0.00 C ATOM 921 C LEU A 58 -5.284 -29.548 9.160 1.00 0.00 C ATOM 922 O LEU A 58 -5.192 -28.849 10.166 1.00 0.00 O ATOM 923 CB LEU A 58 -3.096 -29.415 7.973 1.00 0.00 C ATOM 924 CG LEU A 58 -1.772 -30.098 7.616 1.00 0.00 C ATOM 925 CD1 LEU A 58 -1.838 -30.839 6.287 1.00 0.00 C ATOM 926 CD2 LEU A 58 -0.650 -29.054 7.607 1.00 0.00 C ATOM 0 H LEU A 58 -4.099 -31.524 6.930 1.00 0.00 H new ATOM 0 HA LEU A 58 -3.564 -30.760 9.568 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -3.565 -29.042 7.062 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -2.895 -28.550 8.605 1.00 0.00 H new ATOM 0 HG LEU A 58 -1.565 -30.852 8.376 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -0.874 -31.305 6.082 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -2.609 -31.608 6.337 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -2.078 -30.136 5.490 1.00 0.00 H new ATOM 0 HD21 LEU A 58 0.294 -29.536 7.353 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -0.875 -28.285 6.868 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -0.570 -28.597 8.593 1.00 0.00 H new ATOM 938 N LYS A 59 -6.429 -29.759 8.499 1.00 0.00 N ATOM 939 CA LYS A 59 -7.755 -29.322 8.976 1.00 0.00 C ATOM 940 C LYS A 59 -8.042 -29.610 10.462 1.00 0.00 C ATOM 941 O LYS A 59 -8.832 -28.895 11.074 1.00 0.00 O ATOM 942 CB LYS A 59 -8.832 -29.981 8.115 1.00 0.00 C ATOM 943 CG LYS A 59 -9.367 -29.037 7.033 1.00 0.00 C ATOM 944 CD LYS A 59 -10.646 -28.346 7.531 1.00 0.00 C ATOM 945 CE LYS A 59 -11.148 -27.286 6.547 1.00 0.00 C ATOM 946 NZ LYS A 59 -12.341 -26.583 7.084 1.00 0.00 N ATOM 0 H LYS A 59 -6.465 -30.245 7.603 1.00 0.00 H new ATOM 0 HA LYS A 59 -7.764 -28.236 8.884 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -8.422 -30.875 7.645 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -9.655 -30.305 8.751 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -8.613 -28.290 6.784 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -9.576 -29.596 6.121 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -11.424 -29.093 7.687 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -10.453 -27.881 8.498 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -10.355 -26.565 6.348 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -11.396 -27.757 5.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -12.480 -25.691 6.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -13.181 -27.185 6.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -12.199 -26.380 8.094 1.00 0.00 H new ATOM 960 N ALA A 60 -7.413 -30.646 11.013 1.00 0.00 N ATOM 961 CA ALA A 60 -7.407 -31.002 12.433 1.00 0.00 C ATOM 962 C ALA A 60 -5.981 -31.204 13.006 1.00 0.00 C ATOM 963 O ALA A 60 -5.834 -31.569 14.173 1.00 0.00 O ATOM 964 CB ALA A 60 -8.280 -32.251 12.607 1.00 0.00 C ATOM 0 H ALA A 60 -6.863 -31.296 10.451 1.00 0.00 H new ATOM 0 HA ALA A 60 -7.817 -30.172 13.009 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -8.295 -32.541 13.658 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -9.296 -32.034 12.276 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -7.871 -33.067 12.011 1.00 0.00 H new ATOM 970 N LEU A 61 -4.929 -30.955 12.210 1.00 0.00 N ATOM 971 CA LEU A 61 -3.526 -31.254 12.533 1.00 0.00 C ATOM 972 C LEU A 61 -2.549 -30.082 12.303 1.00 0.00 C ATOM 973 O LEU A 61 -1.423 -30.258 11.838 1.00 0.00 O ATOM 974 CB LEU A 61 -3.101 -32.556 11.821 1.00 0.00 C ATOM 975 CG LEU A 61 -2.386 -33.530 12.783 1.00 0.00 C ATOM 976 CD1 LEU A 61 -3.340 -34.143 13.817 1.00 0.00 C ATOM 977 CD2 LEU A 61 -1.758 -34.693 12.023 1.00 0.00 C ATOM 0 H LEU A 61 -5.037 -30.525 11.291 1.00 0.00 H new ATOM 0 HA LEU A 61 -3.467 -31.409 13.610 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.980 -33.043 11.399 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -2.439 -32.316 10.989 1.00 0.00 H new ATOM 0 HG LEU A 61 -1.628 -32.931 13.287 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -2.786 -34.819 14.467 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -3.787 -33.349 14.415 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -4.126 -34.696 13.304 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -1.262 -35.362 12.726 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -2.535 -35.240 11.488 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -1.028 -34.310 11.310 1.00 0.00 H new ATOM 989 N GLY A 62 -2.947 -28.880 12.724 1.00 0.00 N ATOM 990 CA GLY A 62 -2.077 -27.697 12.805 1.00 0.00 C ATOM 991 C GLY A 62 -1.685 -27.274 14.230 1.00 0.00 C ATOM 992 O GLY A 62 -1.849 -26.093 14.534 1.00 0.00 O ATOM 0 H GLY A 62 -3.903 -28.694 13.026 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -1.167 -27.894 12.238 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -2.580 -26.861 12.320 1.00 0.00 H new ATOM 996 N PRO A 63 -1.150 -28.152 15.113 1.00 0.00 N ATOM 997 CA PRO A 63 -0.739 -27.810 16.482 1.00 0.00 C ATOM 998 C PRO A 63 0.604 -27.046 16.520 1.00 0.00 C ATOM 999 O PRO A 63 1.490 -27.365 17.306 1.00 0.00 O ATOM 1000 CB PRO A 63 -0.678 -29.162 17.205 1.00 0.00 C ATOM 1001 CG PRO A 63 -0.107 -30.069 16.121 1.00 0.00 C ATOM 1002 CD PRO A 63 -0.813 -29.553 14.869 1.00 0.00 C ATOM 0 HA PRO A 63 -1.435 -27.124 16.964 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -0.038 -29.126 18.087 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -1.662 -29.492 17.538 1.00 0.00 H new ATOM 0 HG2 PRO A 63 0.977 -29.980 16.044 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -0.328 -31.119 16.310 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -0.167 -29.648 13.996 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -1.711 -30.136 14.666 1.00 0.00 H new ATOM 1010 N ALA A 64 0.798 -26.085 15.609 1.00 0.00 N ATOM 1011 CA ALA A 64 1.936 -25.147 15.565 1.00 0.00 C ATOM 1012 C ALA A 64 3.378 -25.729 15.510 1.00 0.00 C ATOM 1013 O ALA A 64 4.330 -24.959 15.569 1.00 0.00 O ATOM 1014 CB ALA A 64 1.761 -24.128 16.702 1.00 0.00 C ATOM 0 H ALA A 64 0.139 -25.930 14.846 1.00 0.00 H new ATOM 0 HA ALA A 64 1.880 -24.682 14.581 1.00 0.00 H new ATOM 0 HB1 ALA A 64 2.592 -23.423 16.690 1.00 0.00 H new ATOM 0 HB2 ALA A 64 0.824 -23.588 16.565 1.00 0.00 H new ATOM 0 HB3 ALA A 64 1.742 -24.650 17.659 1.00 0.00 H new ATOM 1020 N ALA A 65 3.564 -27.046 15.357 1.00 0.00 N ATOM 1021 CA ALA A 65 4.886 -27.665 15.160 1.00 0.00 C ATOM 1022 C ALA A 65 4.840 -28.819 14.154 1.00 0.00 C ATOM 1023 O ALA A 65 5.587 -28.817 13.185 1.00 0.00 O ATOM 1024 CB ALA A 65 5.422 -28.120 16.523 1.00 0.00 C ATOM 0 H ALA A 65 2.798 -27.719 15.366 1.00 0.00 H new ATOM 0 HA ALA A 65 5.564 -26.927 14.731 1.00 0.00 H new ATOM 0 HB1 ALA A 65 6.401 -28.581 16.393 1.00 0.00 H new ATOM 0 HB2 ALA A 65 5.511 -27.259 17.185 1.00 0.00 H new ATOM 0 HB3 ALA A 65 4.735 -28.844 16.961 1.00 0.00 H new ATOM 1030 N THR A 66 3.879 -29.737 14.284 1.00 0.00 N ATOM 1031 CA THR A 66 3.635 -30.809 13.298 1.00 0.00 C ATOM 1032 C THR A 66 3.353 -30.291 11.876 1.00 0.00 C ATOM 1033 O THR A 66 3.466 -31.026 10.911 1.00 0.00 O ATOM 1034 CB THR A 66 2.483 -31.704 13.783 1.00 0.00 C ATOM 1035 OG1 THR A 66 2.669 -32.006 15.149 1.00 0.00 O ATOM 1036 CG2 THR A 66 2.369 -33.040 13.057 1.00 0.00 C ATOM 0 H THR A 66 3.241 -29.763 15.079 1.00 0.00 H new ATOM 0 HA THR A 66 4.557 -31.386 13.227 1.00 0.00 H new ATOM 0 HB THR A 66 1.576 -31.133 13.585 1.00 0.00 H new ATOM 0 HG1 THR A 66 1.935 -32.575 15.461 1.00 0.00 H new ATOM 0 HG21 THR A 66 1.530 -33.605 13.464 1.00 0.00 H new ATOM 0 HG22 THR A 66 2.206 -32.864 11.994 1.00 0.00 H new ATOM 0 HG23 THR A 66 3.289 -33.608 13.194 1.00 0.00 H new ATOM 1044 N LEU A 67 3.020 -29.015 11.683 1.00 0.00 N ATOM 1045 CA LEU A 67 2.857 -28.440 10.340 1.00 0.00 C ATOM 1046 C LEU A 67 4.103 -28.642 9.458 1.00 0.00 C ATOM 1047 O LEU A 67 3.982 -29.033 8.303 1.00 0.00 O ATOM 1048 CB LEU A 67 2.533 -26.963 10.526 1.00 0.00 C ATOM 1049 CG LEU A 67 1.961 -26.170 9.327 1.00 0.00 C ATOM 1050 CD1 LEU A 67 2.311 -24.704 9.563 1.00 0.00 C ATOM 1051 CD2 LEU A 67 2.510 -26.573 7.973 1.00 0.00 C ATOM 0 H LEU A 67 2.856 -28.353 12.442 1.00 0.00 H new ATOM 0 HA LEU A 67 2.051 -28.950 9.812 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.820 -26.882 11.346 1.00 0.00 H new ATOM 0 HB3 LEU A 67 3.446 -26.462 10.848 1.00 0.00 H new ATOM 0 HG LEU A 67 0.891 -26.373 9.287 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.927 -24.101 8.740 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.863 -24.369 10.498 1.00 0.00 H new ATOM 0 HD13 LEU A 67 3.394 -24.593 9.620 1.00 0.00 H new ATOM 0 HD21 LEU A 67 2.049 -25.962 7.197 1.00 0.00 H new ATOM 0 HD22 LEU A 67 3.590 -26.424 7.959 1.00 0.00 H new ATOM 0 HD23 LEU A 67 2.286 -27.624 7.788 1.00 0.00 H new ATOM 1063 N GLU A 68 5.289 -28.409 10.011 1.00 0.00 N ATOM 1064 CA GLU A 68 6.565 -28.610 9.306 1.00 0.00 C ATOM 1065 C GLU A 68 6.693 -29.970 8.616 1.00 0.00 C ATOM 1066 O GLU A 68 7.233 -30.050 7.514 1.00 0.00 O ATOM 1067 CB GLU A 68 7.746 -28.495 10.285 1.00 0.00 C ATOM 1068 CG GLU A 68 7.787 -27.171 11.033 1.00 0.00 C ATOM 1069 CD GLU A 68 9.195 -26.842 11.567 1.00 0.00 C ATOM 1070 OE1 GLU A 68 9.956 -27.745 11.987 1.00 0.00 O ATOM 1071 OE2 GLU A 68 9.619 -25.665 11.494 1.00 0.00 O ATOM 0 H GLU A 68 5.400 -28.073 10.968 1.00 0.00 H new ATOM 0 HA GLU A 68 6.583 -27.832 8.543 1.00 0.00 H new ATOM 0 HB2 GLU A 68 7.690 -29.310 11.007 1.00 0.00 H new ATOM 0 HB3 GLU A 68 8.678 -28.621 9.734 1.00 0.00 H new ATOM 0 HG2 GLU A 68 7.457 -26.372 10.370 1.00 0.00 H new ATOM 0 HG3 GLU A 68 7.084 -27.205 11.866 1.00 0.00 H new ATOM 1078 N GLU A 69 6.178 -31.034 9.237 1.00 0.00 N ATOM 1079 CA GLU A 69 6.065 -32.319 8.525 1.00 0.00 C ATOM 1080 C GLU A 69 4.897 -32.345 7.542 1.00 0.00 C ATOM 1081 O GLU A 69 5.025 -32.868 6.442 1.00 0.00 O ATOM 1082 CB GLU A 69 5.981 -33.523 9.471 1.00 0.00 C ATOM 1083 CG GLU A 69 4.719 -33.613 10.333 1.00 0.00 C ATOM 1084 CD GLU A 69 4.532 -35.017 10.900 1.00 0.00 C ATOM 1085 OE1 GLU A 69 3.863 -35.820 10.213 1.00 0.00 O ATOM 1086 OE2 GLU A 69 5.024 -35.254 12.025 1.00 0.00 O ATOM 0 H GLU A 69 5.841 -31.040 10.200 1.00 0.00 H new ATOM 0 HA GLU A 69 6.991 -32.406 7.956 1.00 0.00 H new ATOM 0 HB2 GLU A 69 6.056 -34.433 8.876 1.00 0.00 H new ATOM 0 HB3 GLU A 69 6.848 -33.502 10.132 1.00 0.00 H new ATOM 0 HG2 GLU A 69 4.782 -32.894 11.150 1.00 0.00 H new ATOM 0 HG3 GLU A 69 3.848 -33.341 9.736 1.00 0.00 H new ATOM 1093 N MET A 70 3.762 -31.753 7.907 1.00 0.00 N ATOM 1094 CA MET A 70 2.509 -31.845 7.154 1.00 0.00 C ATOM 1095 C MET A 70 2.509 -31.145 5.790 1.00 0.00 C ATOM 1096 O MET A 70 1.879 -31.597 4.830 1.00 0.00 O ATOM 1097 CB MET A 70 1.415 -31.266 7.997 1.00 0.00 C ATOM 1098 CG MET A 70 1.070 -32.038 9.245 1.00 0.00 C ATOM 1099 SD MET A 70 -0.008 -33.452 8.919 1.00 0.00 S ATOM 1100 CE MET A 70 1.151 -34.817 9.198 1.00 0.00 C ATOM 0 H MET A 70 3.684 -31.185 8.750 1.00 0.00 H new ATOM 0 HA MET A 70 2.363 -32.903 6.935 1.00 0.00 H new ATOM 0 HB2 MET A 70 1.701 -30.255 8.286 1.00 0.00 H new ATOM 0 HB3 MET A 70 0.517 -31.181 7.385 1.00 0.00 H new ATOM 0 HG2 MET A 70 1.989 -32.388 9.716 1.00 0.00 H new ATOM 0 HG3 MET A 70 0.582 -31.371 9.956 1.00 0.00 H new ATOM 0 HE1 MET A 70 0.645 -35.766 9.019 1.00 0.00 H new ATOM 0 HE2 MET A 70 1.996 -34.722 8.516 1.00 0.00 H new ATOM 0 HE3 MET A 70 1.510 -34.785 10.227 1.00 0.00 H new ATOM 1110 N MET A 71 3.259 -30.050 5.725 1.00 0.00 N ATOM 1111 CA MET A 71 3.569 -29.283 4.516 1.00 0.00 C ATOM 1112 C MET A 71 4.199 -30.187 3.449 1.00 0.00 C ATOM 1113 O MET A 71 3.815 -30.145 2.284 1.00 0.00 O ATOM 1114 CB MET A 71 4.467 -28.089 4.915 1.00 0.00 C ATOM 1115 CG MET A 71 5.294 -27.532 3.750 1.00 0.00 C ATOM 1116 SD MET A 71 6.939 -28.270 3.598 1.00 0.00 S ATOM 1117 CE MET A 71 7.434 -27.791 1.925 1.00 0.00 C ATOM 0 H MET A 71 3.692 -29.649 6.557 1.00 0.00 H new ATOM 0 HA MET A 71 2.660 -28.886 4.064 1.00 0.00 H new ATOM 0 HB2 MET A 71 3.842 -27.293 5.320 1.00 0.00 H new ATOM 0 HB3 MET A 71 5.141 -28.402 5.712 1.00 0.00 H new ATOM 0 HG2 MET A 71 4.748 -27.692 2.821 1.00 0.00 H new ATOM 0 HG3 MET A 71 5.400 -26.454 3.876 1.00 0.00 H new ATOM 0 HE1 MET A 71 8.192 -28.483 1.558 1.00 0.00 H new ATOM 0 HE2 MET A 71 6.566 -27.821 1.266 1.00 0.00 H new ATOM 0 HE3 MET A 71 7.842 -26.780 1.942 1.00 0.00 H new ATOM 1127 N THR A 72 5.150 -31.014 3.868 1.00 0.00 N ATOM 1128 CA THR A 72 5.825 -32.019 3.036 1.00 0.00 C ATOM 1129 C THR A 72 5.033 -33.316 2.914 1.00 0.00 C ATOM 1130 O THR A 72 5.050 -33.939 1.854 1.00 0.00 O ATOM 1131 CB THR A 72 7.161 -32.373 3.689 1.00 0.00 C ATOM 1132 OG1 THR A 72 7.968 -31.224 3.813 1.00 0.00 O ATOM 1133 CG2 THR A 72 8.011 -33.372 2.908 1.00 0.00 C ATOM 0 H THR A 72 5.489 -31.008 4.830 1.00 0.00 H new ATOM 0 HA THR A 72 5.939 -31.586 2.042 1.00 0.00 H new ATOM 0 HB THR A 72 6.874 -32.813 4.644 1.00 0.00 H new ATOM 0 HG1 THR A 72 7.439 -30.428 3.596 1.00 0.00 H new ATOM 0 HG21 THR A 72 8.938 -33.561 3.448 1.00 0.00 H new ATOM 0 HG22 THR A 72 7.461 -34.306 2.793 1.00 0.00 H new ATOM 0 HG23 THR A 72 8.241 -32.963 1.924 1.00 0.00 H new ATOM 1141 N ALA A 73 4.332 -33.751 3.969 1.00 0.00 N ATOM 1142 CA ALA A 73 3.724 -35.084 4.048 1.00 0.00 C ATOM 1143 C ALA A 73 2.732 -35.316 2.908 1.00 0.00 C ATOM 1144 O ALA A 73 2.601 -36.423 2.387 1.00 0.00 O ATOM 1145 CB ALA A 73 3.047 -35.257 5.413 1.00 0.00 C ATOM 0 H ALA A 73 4.170 -33.181 4.799 1.00 0.00 H new ATOM 0 HA ALA A 73 4.510 -35.832 3.943 1.00 0.00 H new ATOM 0 HB1 ALA A 73 2.595 -36.247 5.472 1.00 0.00 H new ATOM 0 HB2 ALA A 73 3.789 -35.149 6.204 1.00 0.00 H new ATOM 0 HB3 ALA A 73 2.274 -34.498 5.535 1.00 0.00 H new ATOM 1151 N CYS A 74 2.123 -34.230 2.436 1.00 0.00 N ATOM 1152 CA CYS A 74 1.264 -34.225 1.259 1.00 0.00 C ATOM 1153 C CYS A 74 1.876 -34.837 -0.019 1.00 0.00 C ATOM 1154 O CYS A 74 1.130 -35.236 -0.908 1.00 0.00 O ATOM 1155 CB CYS A 74 0.807 -32.785 1.027 1.00 0.00 C ATOM 1156 SG CYS A 74 2.056 -31.820 0.127 1.00 0.00 S ATOM 0 H CYS A 74 2.216 -33.312 2.871 1.00 0.00 H new ATOM 0 HA CYS A 74 0.424 -34.888 1.469 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -0.127 -32.786 0.465 1.00 0.00 H new ATOM 0 HB3 CYS A 74 0.601 -32.310 1.986 1.00 0.00 H new ATOM 0 HG CYS A 74 2.771 -31.139 0.973 1.00 0.00 H new ATOM 1162 N GLN A 75 3.211 -34.915 -0.125 1.00 0.00 N ATOM 1163 CA GLN A 75 3.913 -35.461 -1.287 1.00 0.00 C ATOM 1164 C GLN A 75 3.801 -36.984 -1.398 1.00 0.00 C ATOM 1165 O GLN A 75 3.841 -37.535 -2.494 1.00 0.00 O ATOM 1166 CB GLN A 75 5.389 -35.034 -1.206 1.00 0.00 C ATOM 1167 CG GLN A 75 6.289 -35.916 -0.312 1.00 0.00 C ATOM 1168 CD GLN A 75 7.729 -35.426 -0.141 1.00 0.00 C ATOM 1169 OE1 GLN A 75 8.408 -35.770 0.808 1.00 0.00 O ATOM 1170 NE2 GLN A 75 8.283 -34.665 -1.059 1.00 0.00 N ATOM 0 H GLN A 75 3.841 -34.593 0.610 1.00 0.00 H new ATOM 0 HA GLN A 75 3.442 -35.062 -2.185 1.00 0.00 H new ATOM 0 HB2 GLN A 75 5.803 -35.028 -2.214 1.00 0.00 H new ATOM 0 HB3 GLN A 75 5.433 -34.009 -0.837 1.00 0.00 H new ATOM 0 HG2 GLN A 75 5.830 -35.992 0.674 1.00 0.00 H new ATOM 0 HG3 GLN A 75 6.313 -36.922 -0.731 1.00 0.00 H new ATOM 0 HE21 GLN A 75 7.738 -34.361 -1.866 1.00 0.00 H new ATOM 0 HE22 GLN A 75 9.257 -34.379 -0.964 1.00 0.00 H new