USER MOD reduce.3.24.130724 H: found=0, std=0, add=395, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 396 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 42 LYS NZ :NH3+ -164:sc= -0.0168 (180deg=-0.222) USER MOD Set 1.2: A 46 GLN :FLIP amide:sc= -2.04 F(o=-4,f=-2.1) USER MOD Set 2.1: A 26 LYS NZ :NH3+ 168:sc= -0.228 (180deg=-0.52) USER MOD Set 2.2: A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= -1.8 K(o=-1.8,f=-3!) USER MOD Single : A 15 THR OG1 : rot 180:sc= -0.15 USER MOD Single : A 21 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.00636) USER MOD Single : A 25 MET CE :methyl 145:sc= -0.466 (180deg=-0.639) USER MOD Single : A 29 LYS NZ :NH3+ -151:sc= -0.15 (180deg=-1.1) USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 GLN : amide:sc= -0.819 K(o=-0.82,f=-1.7!) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 40 HIS : no HD1:sc= -4.94! C(o=-4.9!,f=-5.5!) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 CYS SG : rot 80:sc= -1.65 USER MOD Single : A 48 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00865) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 118 N TRP A 12 -7.527 -1.182 -8.601 1.00 0.00 N ATOM 119 CA TRP A 12 -6.456 -0.251 -8.263 1.00 0.00 C ATOM 120 C TRP A 12 -5.721 0.211 -9.516 1.00 0.00 C ATOM 121 O TRP A 12 -5.708 -0.485 -10.531 1.00 0.00 O ATOM 122 CB TRP A 12 -5.472 -0.905 -7.291 1.00 0.00 C ATOM 123 CG TRP A 12 -5.849 -0.722 -5.852 1.00 0.00 C ATOM 124 CD1 TRP A 12 -6.959 -1.215 -5.226 1.00 0.00 C ATOM 125 CD2 TRP A 12 -5.117 0.005 -4.860 1.00 0.00 C ATOM 126 NE1 TRP A 12 -6.961 -0.837 -3.905 1.00 0.00 N ATOM 127 CE2 TRP A 12 -5.841 -0.089 -3.655 1.00 0.00 C ATOM 128 CE3 TRP A 12 -3.920 0.725 -4.871 1.00 0.00 C ATOM 129 CZ2 TRP A 12 -5.406 0.512 -2.477 1.00 0.00 C ATOM 130 CZ3 TRP A 12 -3.489 1.321 -3.701 1.00 0.00 C ATOM 131 CH2 TRP A 12 -4.230 1.210 -2.516 1.00 0.00 C ATOM 0 HA TRP A 12 -6.903 0.621 -7.785 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -5.410 -1.971 -7.510 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -4.479 -0.487 -7.455 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -7.723 -1.814 -5.700 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -7.680 -1.075 -3.221 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -3.341 0.814 -5.778 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -5.977 0.430 -1.564 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -2.566 1.882 -3.699 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -3.866 1.685 -1.617 1.00 0.00 H new ATOM 142 N ARG A 13 -5.110 1.389 -9.438 1.00 0.00 N ATOM 143 CA ARG A 13 -4.373 1.944 -10.567 1.00 0.00 C ATOM 144 C ARG A 13 -2.877 1.988 -10.271 1.00 0.00 C ATOM 145 O ARG A 13 -2.466 2.158 -9.124 1.00 0.00 O ATOM 146 CB ARG A 13 -4.881 3.349 -10.893 1.00 0.00 C ATOM 147 CG ARG A 13 -6.385 3.420 -11.101 1.00 0.00 C ATOM 148 CD ARG A 13 -6.761 4.524 -12.078 1.00 0.00 C ATOM 149 NE ARG A 13 -8.114 5.023 -11.845 1.00 0.00 N ATOM 150 CZ ARG A 13 -8.766 5.802 -12.701 1.00 0.00 C ATOM 151 NH1 ARG A 13 -8.194 6.168 -13.839 1.00 0.00 N ATOM 152 NH2 ARG A 13 -9.995 6.217 -12.418 1.00 0.00 N ATOM 0 H ARG A 13 -5.111 1.977 -8.605 1.00 0.00 H new ATOM 0 HA ARG A 13 -4.536 1.297 -11.429 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -4.602 4.024 -10.084 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -4.381 3.707 -11.793 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -6.747 2.463 -11.475 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -6.878 3.595 -10.145 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -6.051 5.346 -11.987 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -6.684 4.147 -13.098 1.00 0.00 H new ATOM 0 HE ARG A 13 -8.583 4.759 -10.979 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -7.250 5.851 -14.060 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -8.698 6.766 -14.494 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -10.439 5.938 -11.543 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -10.495 6.815 -13.075 1.00 0.00 H new ATOM 166 N ASN A 14 -2.068 1.834 -11.314 1.00 0.00 N ATOM 167 CA ASN A 14 -0.617 1.855 -11.166 1.00 0.00 C ATOM 168 C ASN A 14 -0.192 2.891 -10.129 1.00 0.00 C ATOM 169 O ASN A 14 0.529 2.577 -9.181 1.00 0.00 O ATOM 170 CB ASN A 14 0.049 2.157 -12.509 1.00 0.00 C ATOM 171 CG ASN A 14 -0.492 3.420 -13.151 1.00 0.00 C ATOM 172 OD1 ASN A 14 -1.643 3.465 -13.586 1.00 0.00 O ATOM 173 ND2 ASN A 14 0.339 4.454 -13.214 1.00 0.00 N ATOM 0 H ASN A 14 -2.392 1.693 -12.271 1.00 0.00 H new ATOM 0 HA ASN A 14 -0.297 0.871 -10.823 1.00 0.00 H new ATOM 0 HB2 ASN A 14 1.124 2.258 -12.364 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -0.103 1.315 -13.185 1.00 0.00 H new ATOM 0 HD21 ASN A 14 0.032 5.330 -13.636 1.00 0.00 H new ATOM 0 HD22 ASN A 14 1.285 4.372 -12.841 1.00 0.00 H new ATOM 180 N THR A 15 -0.642 4.127 -10.316 1.00 0.00 N ATOM 181 CA THR A 15 -0.308 5.209 -9.399 1.00 0.00 C ATOM 182 C THR A 15 -0.682 4.850 -7.966 1.00 0.00 C ATOM 183 O THR A 15 0.174 4.821 -7.081 1.00 0.00 O ATOM 184 CB THR A 15 -1.021 6.518 -9.791 1.00 0.00 C ATOM 185 OG1 THR A 15 -2.431 6.293 -9.901 1.00 0.00 O ATOM 186 CG2 THR A 15 -0.484 7.054 -11.109 1.00 0.00 C ATOM 0 H THR A 15 -1.239 4.404 -11.095 1.00 0.00 H new ATOM 0 HA THR A 15 0.770 5.357 -9.464 1.00 0.00 H new ATOM 0 HB THR A 15 -0.830 7.257 -9.013 1.00 0.00 H new ATOM 0 HG1 THR A 15 -2.877 7.130 -10.149 1.00 0.00 H new ATOM 0 HG21 THR A 15 -1.003 7.978 -11.364 1.00 0.00 H new ATOM 0 HG22 THR A 15 0.584 7.252 -11.013 1.00 0.00 H new ATOM 0 HG23 THR A 15 -0.648 6.317 -11.895 1.00 0.00 H new ATOM 194 N GLU A 16 -1.963 4.577 -7.743 1.00 0.00 N ATOM 195 CA GLU A 16 -2.448 4.219 -6.415 1.00 0.00 C ATOM 196 C GLU A 16 -1.499 3.236 -5.736 1.00 0.00 C ATOM 197 O GLU A 16 -1.190 3.372 -4.552 1.00 0.00 O ATOM 198 CB GLU A 16 -3.850 3.612 -6.506 1.00 0.00 C ATOM 199 CG GLU A 16 -4.964 4.644 -6.464 1.00 0.00 C ATOM 200 CD GLU A 16 -5.452 4.918 -5.055 1.00 0.00 C ATOM 201 OE1 GLU A 16 -5.264 4.047 -4.181 1.00 0.00 O ATOM 202 OE2 GLU A 16 -6.022 6.006 -4.826 1.00 0.00 O ATOM 0 H GLU A 16 -2.684 4.597 -8.464 1.00 0.00 H new ATOM 0 HA GLU A 16 -2.492 5.128 -5.815 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -3.930 3.041 -7.431 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -3.986 2.909 -5.684 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -4.610 5.574 -6.909 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -5.799 4.297 -7.073 1.00 0.00 H new ATOM 209 N ASP A 17 -1.042 2.245 -6.494 1.00 0.00 N ATOM 210 CA ASP A 17 -0.128 1.239 -5.967 1.00 0.00 C ATOM 211 C ASP A 17 1.237 1.849 -5.663 1.00 0.00 C ATOM 212 O ASP A 17 1.800 1.632 -4.591 1.00 0.00 O ATOM 213 CB ASP A 17 0.025 0.086 -6.961 1.00 0.00 C ATOM 214 CG ASP A 17 -1.015 -0.998 -6.754 1.00 0.00 C ATOM 215 OD1 ASP A 17 -2.217 -0.706 -6.921 1.00 0.00 O ATOM 216 OD2 ASP A 17 -0.626 -2.138 -6.425 1.00 0.00 O ATOM 0 H ASP A 17 -1.290 2.117 -7.475 1.00 0.00 H new ATOM 0 HA ASP A 17 -0.549 0.854 -5.038 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -0.055 0.473 -7.977 1.00 0.00 H new ATOM 0 HB3 ASP A 17 1.021 -0.346 -6.862 1.00 0.00 H new ATOM 221 N GLU A 18 1.763 2.613 -6.616 1.00 0.00 N ATOM 222 CA GLU A 18 3.063 3.253 -6.451 1.00 0.00 C ATOM 223 C GLU A 18 3.119 4.041 -5.146 1.00 0.00 C ATOM 224 O GLU A 18 4.118 4.002 -4.427 1.00 0.00 O ATOM 225 CB GLU A 18 3.354 4.180 -7.633 1.00 0.00 C ATOM 226 CG GLU A 18 4.033 3.483 -8.800 1.00 0.00 C ATOM 227 CD GLU A 18 5.460 3.077 -8.486 1.00 0.00 C ATOM 228 OE1 GLU A 18 6.357 3.941 -8.576 1.00 0.00 O ATOM 229 OE2 GLU A 18 5.679 1.894 -8.151 1.00 0.00 O ATOM 0 H GLU A 18 1.309 2.803 -7.509 1.00 0.00 H new ATOM 0 HA GLU A 18 3.822 2.472 -6.417 1.00 0.00 H new ATOM 0 HB2 GLU A 18 2.418 4.620 -7.978 1.00 0.00 H new ATOM 0 HB3 GLU A 18 3.986 5.001 -7.293 1.00 0.00 H new ATOM 0 HG2 GLU A 18 3.459 2.598 -9.074 1.00 0.00 H new ATOM 0 HG3 GLU A 18 4.030 4.145 -9.666 1.00 0.00 H new ATOM 236 N ILE A 19 2.040 4.757 -4.848 1.00 0.00 N ATOM 237 CA ILE A 19 1.965 5.554 -3.630 1.00 0.00 C ATOM 238 C ILE A 19 1.894 4.665 -2.393 1.00 0.00 C ATOM 239 O ILE A 19 2.690 4.808 -1.465 1.00 0.00 O ATOM 240 CB ILE A 19 0.744 6.493 -3.645 1.00 0.00 C ATOM 241 CG1 ILE A 19 0.831 7.460 -4.827 1.00 0.00 C ATOM 242 CG2 ILE A 19 0.648 7.257 -2.333 1.00 0.00 C ATOM 243 CD1 ILE A 19 -0.518 7.909 -5.341 1.00 0.00 C ATOM 0 H ILE A 19 1.206 4.801 -5.433 1.00 0.00 H new ATOM 0 HA ILE A 19 2.874 6.154 -3.590 1.00 0.00 H new ATOM 0 HB ILE A 19 -0.158 5.891 -3.759 1.00 0.00 H new ATOM 0 HG12 ILE A 19 1.407 8.336 -4.528 1.00 0.00 H new ATOM 0 HG13 ILE A 19 1.379 6.981 -5.638 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -0.220 7.916 -2.359 1.00 0.00 H new ATOM 0 HG22 ILE A 19 0.544 6.552 -1.508 1.00 0.00 H new ATOM 0 HG23 ILE A 19 1.551 7.851 -2.191 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -0.379 8.593 -6.179 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -1.089 7.041 -5.672 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -1.060 8.417 -4.544 1.00 0.00 H new ATOM 255 N LEU A 20 0.936 3.744 -2.388 1.00 0.00 N ATOM 256 CA LEU A 20 0.760 2.828 -1.267 1.00 0.00 C ATOM 257 C LEU A 20 2.056 2.082 -0.965 1.00 0.00 C ATOM 258 O LEU A 20 2.637 2.234 0.109 1.00 0.00 O ATOM 259 CB LEU A 20 -0.358 1.830 -1.568 1.00 0.00 C ATOM 260 CG LEU A 20 -0.582 0.736 -0.523 1.00 0.00 C ATOM 261 CD1 LEU A 20 -1.241 1.313 0.720 1.00 0.00 C ATOM 262 CD2 LEU A 20 -1.425 -0.390 -1.102 1.00 0.00 C ATOM 0 H LEU A 20 0.269 3.612 -3.148 1.00 0.00 H new ATOM 0 HA LEU A 20 0.487 3.415 -0.390 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.289 2.384 -1.690 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -0.144 1.353 -2.524 1.00 0.00 H new ATOM 0 HG LEU A 20 0.388 0.327 -0.239 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.393 0.520 1.453 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -0.600 2.084 1.147 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -2.204 1.749 0.452 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.574 -1.159 -0.344 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.392 0.003 -1.415 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -0.914 -0.822 -1.962 1.00 0.00 H new ATOM 274 N LYS A 21 2.505 1.277 -1.922 1.00 0.00 N ATOM 275 CA LYS A 21 3.734 0.509 -1.762 1.00 0.00 C ATOM 276 C LYS A 21 4.794 1.325 -1.028 1.00 0.00 C ATOM 277 O LYS A 21 5.312 0.901 0.005 1.00 0.00 O ATOM 278 CB LYS A 21 4.268 0.071 -3.128 1.00 0.00 C ATOM 279 CG LYS A 21 3.592 -1.174 -3.674 1.00 0.00 C ATOM 280 CD LYS A 21 3.689 -1.243 -5.189 1.00 0.00 C ATOM 281 CE LYS A 21 5.062 -1.721 -5.638 1.00 0.00 C ATOM 282 NZ LYS A 21 5.212 -3.195 -5.488 1.00 0.00 N ATOM 0 H LYS A 21 2.036 1.140 -2.817 1.00 0.00 H new ATOM 0 HA LYS A 21 3.505 -0.375 -1.168 1.00 0.00 H new ATOM 0 HB2 LYS A 21 4.137 0.887 -3.839 1.00 0.00 H new ATOM 0 HB3 LYS A 21 5.339 -0.113 -3.048 1.00 0.00 H new ATOM 0 HG2 LYS A 21 4.053 -2.060 -3.238 1.00 0.00 H new ATOM 0 HG3 LYS A 21 2.544 -1.181 -3.375 1.00 0.00 H new ATOM 0 HD2 LYS A 21 2.924 -1.918 -5.573 1.00 0.00 H new ATOM 0 HD3 LYS A 21 3.488 -0.259 -5.613 1.00 0.00 H new ATOM 0 HE2 LYS A 21 5.220 -1.444 -6.680 1.00 0.00 H new ATOM 0 HE3 LYS A 21 5.831 -1.216 -5.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 6.134 -3.490 -5.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 5.154 -3.449 -4.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 4.453 -3.676 -6.011 1.00 0.00 H new ATOM 296 N ALA A 22 5.111 2.497 -1.568 1.00 0.00 N ATOM 297 CA ALA A 22 6.105 3.374 -0.963 1.00 0.00 C ATOM 298 C ALA A 22 5.757 3.679 0.490 1.00 0.00 C ATOM 299 O ALA A 22 6.558 3.443 1.393 1.00 0.00 O ATOM 300 CB ALA A 22 6.228 4.663 -1.761 1.00 0.00 C ATOM 0 H ALA A 22 4.693 2.861 -2.424 1.00 0.00 H new ATOM 0 HA ALA A 22 7.065 2.858 -0.978 1.00 0.00 H new ATOM 0 HB1 ALA A 22 6.974 5.308 -1.297 1.00 0.00 H new ATOM 0 HB2 ALA A 22 6.533 4.431 -2.782 1.00 0.00 H new ATOM 0 HB3 ALA A 22 5.266 5.174 -1.777 1.00 0.00 H new ATOM 306 N ALA A 23 4.556 4.206 0.707 1.00 0.00 N ATOM 307 CA ALA A 23 4.101 4.543 2.050 1.00 0.00 C ATOM 308 C ALA A 23 4.308 3.375 3.009 1.00 0.00 C ATOM 309 O ALA A 23 4.888 3.535 4.083 1.00 0.00 O ATOM 310 CB ALA A 23 2.636 4.953 2.024 1.00 0.00 C ATOM 0 H ALA A 23 3.881 4.409 -0.030 1.00 0.00 H new ATOM 0 HA ALA A 23 4.696 5.383 2.408 1.00 0.00 H new ATOM 0 HB1 ALA A 23 2.310 5.202 3.034 1.00 0.00 H new ATOM 0 HB2 ALA A 23 2.513 5.822 1.378 1.00 0.00 H new ATOM 0 HB3 ALA A 23 2.034 4.129 1.641 1.00 0.00 H new ATOM 316 N VAL A 24 3.830 2.199 2.614 1.00 0.00 N ATOM 317 CA VAL A 24 3.963 1.004 3.438 1.00 0.00 C ATOM 318 C VAL A 24 5.424 0.728 3.775 1.00 0.00 C ATOM 319 O VAL A 24 5.730 0.106 4.791 1.00 0.00 O ATOM 320 CB VAL A 24 3.368 -0.231 2.736 1.00 0.00 C ATOM 321 CG1 VAL A 24 3.595 -1.482 3.571 1.00 0.00 C ATOM 322 CG2 VAL A 24 1.886 -0.025 2.461 1.00 0.00 C ATOM 0 H VAL A 24 3.347 2.049 1.728 1.00 0.00 H new ATOM 0 HA VAL A 24 3.410 1.192 4.358 1.00 0.00 H new ATOM 0 HB VAL A 24 3.876 -0.364 1.781 1.00 0.00 H new ATOM 0 HG11 VAL A 24 3.168 -2.344 3.059 1.00 0.00 H new ATOM 0 HG12 VAL A 24 4.665 -1.637 3.711 1.00 0.00 H new ATOM 0 HG13 VAL A 24 3.115 -1.363 4.543 1.00 0.00 H new ATOM 0 HG21 VAL A 24 1.482 -0.907 1.965 1.00 0.00 H new ATOM 0 HG22 VAL A 24 1.360 0.135 3.402 1.00 0.00 H new ATOM 0 HG23 VAL A 24 1.753 0.846 1.819 1.00 0.00 H new ATOM 332 N MET A 25 6.322 1.197 2.915 1.00 0.00 N ATOM 333 CA MET A 25 7.753 1.003 3.122 1.00 0.00 C ATOM 334 C MET A 25 8.319 2.077 4.045 1.00 0.00 C ATOM 335 O MET A 25 9.314 1.856 4.735 1.00 0.00 O ATOM 336 CB MET A 25 8.492 1.023 1.783 1.00 0.00 C ATOM 337 CG MET A 25 8.049 -0.074 0.828 1.00 0.00 C ATOM 338 SD MET A 25 8.963 -1.610 1.064 1.00 0.00 S ATOM 339 CE MET A 25 7.667 -2.818 0.803 1.00 0.00 C ATOM 0 H MET A 25 6.085 1.714 2.068 1.00 0.00 H new ATOM 0 HA MET A 25 7.898 0.031 3.593 1.00 0.00 H new ATOM 0 HB2 MET A 25 8.339 1.992 1.307 1.00 0.00 H new ATOM 0 HB3 MET A 25 9.562 0.924 1.966 1.00 0.00 H new ATOM 0 HG2 MET A 25 6.985 -0.264 0.967 1.00 0.00 H new ATOM 0 HG3 MET A 25 8.180 0.268 -0.199 1.00 0.00 H new ATOM 0 HE1 MET A 25 8.083 -3.697 0.311 1.00 0.00 H new ATOM 0 HE2 MET A 25 7.241 -3.108 1.764 1.00 0.00 H new ATOM 0 HE3 MET A 25 6.887 -2.386 0.176 1.00 0.00 H new ATOM 349 N LYS A 26 7.679 3.242 4.053 1.00 0.00 N ATOM 350 CA LYS A 26 8.117 4.351 4.892 1.00 0.00 C ATOM 351 C LYS A 26 7.494 4.262 6.281 1.00 0.00 C ATOM 352 O LYS A 26 8.201 4.152 7.283 1.00 0.00 O ATOM 353 CB LYS A 26 7.749 5.686 4.240 1.00 0.00 C ATOM 354 CG LYS A 26 8.347 6.892 4.945 1.00 0.00 C ATOM 355 CD LYS A 26 7.712 8.187 4.468 1.00 0.00 C ATOM 356 CE LYS A 26 7.931 9.315 5.466 1.00 0.00 C ATOM 357 NZ LYS A 26 7.070 10.493 5.168 1.00 0.00 N ATOM 0 H LYS A 26 6.854 3.442 3.487 1.00 0.00 H new ATOM 0 HA LYS A 26 9.200 4.290 4.995 1.00 0.00 H new ATOM 0 HB2 LYS A 26 8.084 5.679 3.203 1.00 0.00 H new ATOM 0 HB3 LYS A 26 6.664 5.786 4.224 1.00 0.00 H new ATOM 0 HG2 LYS A 26 8.207 6.792 6.021 1.00 0.00 H new ATOM 0 HG3 LYS A 26 9.422 6.924 4.765 1.00 0.00 H new ATOM 0 HD2 LYS A 26 8.134 8.467 3.503 1.00 0.00 H new ATOM 0 HD3 LYS A 26 6.643 8.036 4.317 1.00 0.00 H new ATOM 0 HE2 LYS A 26 7.719 8.955 6.473 1.00 0.00 H new ATOM 0 HE3 LYS A 26 8.978 9.617 5.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 7.094 11.152 5.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 7.422 10.974 4.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 6.092 10.177 5.008 1.00 0.00 H new ATOM 371 N TYR A 27 6.168 4.309 6.334 1.00 0.00 N ATOM 372 CA TYR A 27 5.450 4.235 7.601 1.00 0.00 C ATOM 373 C TYR A 27 5.428 2.805 8.131 1.00 0.00 C ATOM 374 O TYR A 27 5.416 2.579 9.341 1.00 0.00 O ATOM 375 CB TYR A 27 4.020 4.750 7.431 1.00 0.00 C ATOM 376 CG TYR A 27 3.934 6.068 6.696 1.00 0.00 C ATOM 377 CD1 TYR A 27 4.926 7.031 6.838 1.00 0.00 C ATOM 378 CD2 TYR A 27 2.861 6.352 5.860 1.00 0.00 C ATOM 379 CE1 TYR A 27 4.851 8.238 6.169 1.00 0.00 C ATOM 380 CE2 TYR A 27 2.779 7.555 5.186 1.00 0.00 C ATOM 381 CZ TYR A 27 3.776 8.494 5.344 1.00 0.00 C ATOM 382 OH TYR A 27 3.697 9.694 4.675 1.00 0.00 O ATOM 0 H TYR A 27 5.568 4.398 5.514 1.00 0.00 H new ATOM 0 HA TYR A 27 5.972 4.863 8.323 1.00 0.00 H new ATOM 0 HB2 TYR A 27 3.436 4.004 6.892 1.00 0.00 H new ATOM 0 HB3 TYR A 27 3.564 4.862 8.415 1.00 0.00 H new ATOM 0 HD1 TYR A 27 5.770 6.833 7.482 1.00 0.00 H new ATOM 0 HD2 TYR A 27 2.077 5.619 5.735 1.00 0.00 H new ATOM 0 HE1 TYR A 27 5.630 8.976 6.292 1.00 0.00 H new ATOM 0 HE2 TYR A 27 1.939 7.759 4.539 1.00 0.00 H new ATOM 0 HH TYR A 27 2.879 9.715 4.136 1.00 0.00 H new ATOM 392 N GLY A 28 5.424 1.841 7.216 1.00 0.00 N ATOM 393 CA GLY A 28 5.404 0.444 7.609 1.00 0.00 C ATOM 394 C GLY A 28 4.033 -0.183 7.454 1.00 0.00 C ATOM 395 O GLY A 28 3.046 0.514 7.215 1.00 0.00 O ATOM 0 H GLY A 28 5.434 2.002 6.209 1.00 0.00 H new ATOM 0 HA2 GLY A 28 6.124 -0.110 7.006 1.00 0.00 H new ATOM 0 HA3 GLY A 28 5.724 0.357 8.647 1.00 0.00 H new ATOM 399 N LYS A 29 3.969 -1.504 7.587 1.00 0.00 N ATOM 400 CA LYS A 29 2.709 -2.226 7.459 1.00 0.00 C ATOM 401 C LYS A 29 1.904 -2.147 8.752 1.00 0.00 C ATOM 402 O LYS A 29 1.333 -3.140 9.200 1.00 0.00 O ATOM 403 CB LYS A 29 2.972 -3.690 7.098 1.00 0.00 C ATOM 404 CG LYS A 29 3.343 -3.900 5.640 1.00 0.00 C ATOM 405 CD LYS A 29 4.086 -5.209 5.437 1.00 0.00 C ATOM 406 CE LYS A 29 5.589 -5.026 5.588 1.00 0.00 C ATOM 407 NZ LYS A 29 6.125 -4.023 4.625 1.00 0.00 N ATOM 0 H LYS A 29 4.776 -2.096 7.784 1.00 0.00 H new ATOM 0 HA LYS A 29 2.130 -1.760 6.662 1.00 0.00 H new ATOM 0 HB2 LYS A 29 3.776 -4.072 7.727 1.00 0.00 H new ATOM 0 HB3 LYS A 29 2.082 -4.277 7.326 1.00 0.00 H new ATOM 0 HG2 LYS A 29 2.440 -3.895 5.029 1.00 0.00 H new ATOM 0 HG3 LYS A 29 3.964 -3.072 5.299 1.00 0.00 H new ATOM 0 HD2 LYS A 29 3.733 -5.945 6.160 1.00 0.00 H new ATOM 0 HD3 LYS A 29 3.864 -5.605 4.446 1.00 0.00 H new ATOM 0 HE2 LYS A 29 5.816 -4.710 6.606 1.00 0.00 H new ATOM 0 HE3 LYS A 29 6.089 -5.982 5.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 7.113 -4.255 4.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 5.555 -4.038 3.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 6.082 -3.075 5.051 1.00 0.00 H new ATOM 421 N ASN A 30 1.860 -0.958 9.345 1.00 0.00 N ATOM 422 CA ASN A 30 1.123 -0.750 10.586 1.00 0.00 C ATOM 423 C ASN A 30 0.263 0.508 10.503 1.00 0.00 C ATOM 424 O ASN A 30 -0.858 0.539 11.009 1.00 0.00 O ATOM 425 CB ASN A 30 2.090 -0.644 11.766 1.00 0.00 C ATOM 426 CG ASN A 30 2.594 -1.999 12.224 1.00 0.00 C ATOM 427 OD1 ASN A 30 1.848 -2.786 12.807 1.00 0.00 O ATOM 428 ND2 ASN A 30 3.866 -2.276 11.963 1.00 0.00 N ATOM 0 H ASN A 30 2.326 -0.125 8.986 1.00 0.00 H new ATOM 0 HA ASN A 30 0.467 -1.607 10.739 1.00 0.00 H new ATOM 0 HB2 ASN A 30 2.938 -0.021 11.482 1.00 0.00 H new ATOM 0 HB3 ASN A 30 1.592 -0.145 12.597 1.00 0.00 H new ATOM 0 HD21 ASN A 30 4.262 -3.172 12.248 1.00 0.00 H new ATOM 0 HD22 ASN A 30 4.447 -1.593 11.477 1.00 0.00 H new ATOM 435 N GLN A 31 0.798 1.542 9.862 1.00 0.00 N ATOM 436 CA GLN A 31 0.080 2.803 9.713 1.00 0.00 C ATOM 437 C GLN A 31 -0.870 2.751 8.522 1.00 0.00 C ATOM 438 O GLN A 31 -0.877 3.650 7.681 1.00 0.00 O ATOM 439 CB GLN A 31 1.067 3.959 9.544 1.00 0.00 C ATOM 440 CG GLN A 31 2.054 4.090 10.693 1.00 0.00 C ATOM 441 CD GLN A 31 2.503 5.521 10.915 1.00 0.00 C ATOM 442 OE1 GLN A 31 1.683 6.416 11.125 1.00 0.00 O ATOM 443 NE2 GLN A 31 3.811 5.745 10.872 1.00 0.00 N ATOM 0 H GLN A 31 1.725 1.532 9.438 1.00 0.00 H new ATOM 0 HA GLN A 31 -0.508 2.966 10.616 1.00 0.00 H new ATOM 0 HB2 GLN A 31 1.620 3.821 8.615 1.00 0.00 H new ATOM 0 HB3 GLN A 31 0.509 4.891 9.447 1.00 0.00 H new ATOM 0 HG2 GLN A 31 1.595 3.711 11.606 1.00 0.00 H new ATOM 0 HG3 GLN A 31 2.925 3.467 10.492 1.00 0.00 H new ATOM 0 HE21 GLN A 31 4.455 4.974 10.695 1.00 0.00 H new ATOM 0 HE22 GLN A 31 4.172 6.688 11.016 1.00 0.00 H new ATOM 452 N TRP A 32 -1.671 1.693 8.456 1.00 0.00 N ATOM 453 CA TRP A 32 -2.625 1.524 7.366 1.00 0.00 C ATOM 454 C TRP A 32 -3.668 2.636 7.378 1.00 0.00 C ATOM 455 O TRP A 32 -3.946 3.251 6.349 1.00 0.00 O ATOM 456 CB TRP A 32 -3.313 0.161 7.470 1.00 0.00 C ATOM 457 CG TRP A 32 -2.390 -0.991 7.214 1.00 0.00 C ATOM 458 CD1 TRP A 32 -2.084 -2.004 8.078 1.00 0.00 C ATOM 459 CD2 TRP A 32 -1.651 -1.247 6.015 1.00 0.00 C ATOM 460 NE1 TRP A 32 -1.200 -2.874 7.488 1.00 0.00 N ATOM 461 CE2 TRP A 32 -0.919 -2.433 6.222 1.00 0.00 C ATOM 462 CE3 TRP A 32 -1.538 -0.592 4.786 1.00 0.00 C ATOM 463 CZ2 TRP A 32 -0.087 -2.974 5.245 1.00 0.00 C ATOM 464 CZ3 TRP A 32 -0.711 -1.130 3.818 1.00 0.00 C ATOM 465 CH2 TRP A 32 0.005 -2.311 4.051 1.00 0.00 C ATOM 0 H TRP A 32 -1.679 0.940 9.144 1.00 0.00 H new ATOM 0 HA TRP A 32 -2.077 1.576 6.425 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -3.747 0.056 8.465 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -4.137 0.123 6.757 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -2.479 -2.106 9.078 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -0.815 -3.713 7.922 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -2.087 0.318 4.596 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 0.466 -3.884 5.423 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -0.615 -0.631 2.865 1.00 0.00 H new ATOM 0 HH2 TRP A 32 0.642 -2.706 3.274 1.00 0.00 H new ATOM 476 N SER A 33 -4.243 2.890 8.550 1.00 0.00 N ATOM 477 CA SER A 33 -5.258 3.926 8.695 1.00 0.00 C ATOM 478 C SER A 33 -4.739 5.270 8.192 1.00 0.00 C ATOM 479 O SER A 33 -5.491 6.068 7.633 1.00 0.00 O ATOM 480 CB SER A 33 -5.688 4.047 10.158 1.00 0.00 C ATOM 481 OG SER A 33 -4.585 4.361 10.989 1.00 0.00 O ATOM 0 H SER A 33 -4.023 2.392 9.412 1.00 0.00 H new ATOM 0 HA SER A 33 -6.121 3.642 8.093 1.00 0.00 H new ATOM 0 HB2 SER A 33 -6.451 4.820 10.253 1.00 0.00 H new ATOM 0 HB3 SER A 33 -6.140 3.111 10.486 1.00 0.00 H new ATOM 0 HG SER A 33 -4.886 4.435 11.919 1.00 0.00 H new ATOM 487 N ARG A 34 -3.448 5.511 8.396 1.00 0.00 N ATOM 488 CA ARG A 34 -2.827 6.758 7.965 1.00 0.00 C ATOM 489 C ARG A 34 -2.523 6.726 6.470 1.00 0.00 C ATOM 490 O ARG A 34 -2.782 7.693 5.754 1.00 0.00 O ATOM 491 CB ARG A 34 -1.540 7.010 8.753 1.00 0.00 C ATOM 492 CG ARG A 34 -1.039 8.442 8.659 1.00 0.00 C ATOM 493 CD ARG A 34 0.473 8.514 8.799 1.00 0.00 C ATOM 494 NE ARG A 34 0.910 9.780 9.382 1.00 0.00 N ATOM 495 CZ ARG A 34 2.184 10.138 9.491 1.00 0.00 C ATOM 496 NH1 ARG A 34 3.143 9.329 9.060 1.00 0.00 N ATOM 497 NH2 ARG A 34 2.502 11.306 10.033 1.00 0.00 N ATOM 0 H ARG A 34 -2.812 4.860 8.857 1.00 0.00 H new ATOM 0 HA ARG A 34 -3.528 7.570 8.158 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -1.711 6.762 9.801 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -0.763 6.338 8.389 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -1.338 8.871 7.702 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -1.507 9.044 9.438 1.00 0.00 H new ATOM 0 HD2 ARG A 34 0.819 7.690 9.422 1.00 0.00 H new ATOM 0 HD3 ARG A 34 0.934 8.388 7.819 1.00 0.00 H new ATOM 0 HE ARG A 34 0.197 10.424 9.724 1.00 0.00 H new ATOM 0 HH11 ARG A 34 2.903 8.429 8.644 1.00 0.00 H new ATOM 0 HH12 ARG A 34 4.121 9.607 9.145 1.00 0.00 H new ATOM 0 HH21 ARG A 34 1.768 11.930 10.367 1.00 0.00 H new ATOM 0 HH22 ARG A 34 3.481 11.580 10.116 1.00 0.00 H new ATOM 511 N ILE A 35 -1.973 5.609 6.008 1.00 0.00 N ATOM 512 CA ILE A 35 -1.634 5.451 4.599 1.00 0.00 C ATOM 513 C ILE A 35 -2.853 5.684 3.711 1.00 0.00 C ATOM 514 O ILE A 35 -2.801 6.463 2.760 1.00 0.00 O ATOM 515 CB ILE A 35 -1.063 4.050 4.310 1.00 0.00 C ATOM 516 CG1 ILE A 35 0.307 3.888 4.973 1.00 0.00 C ATOM 517 CG2 ILE A 35 -0.963 3.818 2.810 1.00 0.00 C ATOM 518 CD1 ILE A 35 0.720 2.445 5.160 1.00 0.00 C ATOM 0 H ILE A 35 -1.752 4.800 6.588 1.00 0.00 H new ATOM 0 HA ILE A 35 -0.873 6.198 4.372 1.00 0.00 H new ATOM 0 HB ILE A 35 -1.739 3.304 4.728 1.00 0.00 H new ATOM 0 HG12 ILE A 35 1.057 4.397 4.368 1.00 0.00 H new ATOM 0 HG13 ILE A 35 0.292 4.382 5.944 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -0.558 2.824 2.622 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -1.954 3.897 2.363 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -0.305 4.567 2.369 1.00 0.00 H new ATOM 0 HD11 ILE A 35 1.700 2.406 5.635 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -0.009 1.937 5.790 1.00 0.00 H new ATOM 0 HD13 ILE A 35 0.767 1.951 4.189 1.00 0.00 H new ATOM 530 N ALA A 36 -3.949 5.003 4.031 1.00 0.00 N ATOM 531 CA ALA A 36 -5.182 5.139 3.265 1.00 0.00 C ATOM 532 C ALA A 36 -5.487 6.603 2.970 1.00 0.00 C ATOM 533 O ALA A 36 -5.985 6.939 1.896 1.00 0.00 O ATOM 534 CB ALA A 36 -6.341 4.497 4.014 1.00 0.00 C ATOM 0 H ALA A 36 -4.008 4.352 4.814 1.00 0.00 H new ATOM 0 HA ALA A 36 -5.048 4.625 2.313 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -7.256 4.606 3.431 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -6.133 3.438 4.168 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -6.466 4.987 4.980 1.00 0.00 H new ATOM 540 N SER A 37 -5.184 7.471 3.930 1.00 0.00 N ATOM 541 CA SER A 37 -5.430 8.900 3.774 1.00 0.00 C ATOM 542 C SER A 37 -4.724 9.441 2.534 1.00 0.00 C ATOM 543 O SER A 37 -5.271 10.270 1.805 1.00 0.00 O ATOM 544 CB SER A 37 -4.958 9.659 5.015 1.00 0.00 C ATOM 545 OG SER A 37 -5.197 11.050 4.884 1.00 0.00 O ATOM 0 H SER A 37 -4.768 7.210 4.824 1.00 0.00 H new ATOM 0 HA SER A 37 -6.503 9.047 3.653 1.00 0.00 H new ATOM 0 HB2 SER A 37 -5.476 9.279 5.896 1.00 0.00 H new ATOM 0 HB3 SER A 37 -3.894 9.483 5.170 1.00 0.00 H new ATOM 0 HG SER A 37 -4.888 11.512 5.691 1.00 0.00 H new ATOM 551 N LEU A 38 -3.506 8.966 2.301 1.00 0.00 N ATOM 552 CA LEU A 38 -2.722 9.401 1.150 1.00 0.00 C ATOM 553 C LEU A 38 -3.505 9.209 -0.145 1.00 0.00 C ATOM 554 O LEU A 38 -3.540 10.095 -1.000 1.00 0.00 O ATOM 555 CB LEU A 38 -1.405 8.626 1.082 1.00 0.00 C ATOM 556 CG LEU A 38 -0.576 8.599 2.367 1.00 0.00 C ATOM 557 CD1 LEU A 38 0.484 7.511 2.295 1.00 0.00 C ATOM 558 CD2 LEU A 38 0.066 9.956 2.615 1.00 0.00 C ATOM 0 H LEU A 38 -3.039 8.279 2.894 1.00 0.00 H new ATOM 0 HA LEU A 38 -2.506 10.463 1.269 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.626 7.598 0.794 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -0.794 9.056 0.288 1.00 0.00 H new ATOM 0 HG LEU A 38 -1.241 8.375 3.202 1.00 0.00 H new ATOM 0 HD11 LEU A 38 1.064 7.507 3.218 1.00 0.00 H new ATOM 0 HD12 LEU A 38 0.002 6.542 2.165 1.00 0.00 H new ATOM 0 HD13 LEU A 38 1.146 7.704 1.451 1.00 0.00 H new ATOM 0 HD21 LEU A 38 0.652 9.919 3.533 1.00 0.00 H new ATOM 0 HD22 LEU A 38 0.718 10.209 1.779 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -0.711 10.714 2.711 1.00 0.00 H new ATOM 570 N LEU A 39 -4.134 8.047 -0.284 1.00 0.00 N ATOM 571 CA LEU A 39 -4.919 7.738 -1.474 1.00 0.00 C ATOM 572 C LEU A 39 -6.369 8.180 -1.299 1.00 0.00 C ATOM 573 O LEU A 39 -6.990 7.915 -0.269 1.00 0.00 O ATOM 574 CB LEU A 39 -4.863 6.239 -1.771 1.00 0.00 C ATOM 575 CG LEU A 39 -3.471 5.607 -1.775 1.00 0.00 C ATOM 576 CD1 LEU A 39 -3.554 4.131 -1.418 1.00 0.00 C ATOM 577 CD2 LEU A 39 -2.804 5.793 -3.130 1.00 0.00 C ATOM 0 H LEU A 39 -4.116 7.303 0.413 1.00 0.00 H new ATOM 0 HA LEU A 39 -4.491 8.284 -2.314 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -5.474 5.720 -1.033 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -5.322 6.064 -2.744 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.863 6.109 -1.022 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -2.554 3.698 -1.426 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -3.989 4.021 -0.425 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -4.179 3.615 -2.147 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.814 5.337 -3.114 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -3.410 5.318 -3.902 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -2.710 6.857 -3.346 1.00 0.00 H new ATOM 589 N HIS A 40 -6.903 8.854 -2.313 1.00 0.00 N ATOM 590 CA HIS A 40 -8.281 9.330 -2.272 1.00 0.00 C ATOM 591 C HIS A 40 -9.259 8.185 -2.515 1.00 0.00 C ATOM 592 O HIS A 40 -9.030 7.332 -3.373 1.00 0.00 O ATOM 593 CB HIS A 40 -8.494 10.428 -3.315 1.00 0.00 C ATOM 594 CG HIS A 40 -9.917 10.884 -3.423 1.00 0.00 C ATOM 595 ND1 HIS A 40 -10.617 10.892 -4.610 1.00 0.00 N ATOM 596 CD2 HIS A 40 -10.771 11.348 -2.481 1.00 0.00 C ATOM 597 CE1 HIS A 40 -11.840 11.343 -4.395 1.00 0.00 C ATOM 598 NE2 HIS A 40 -11.959 11.626 -3.111 1.00 0.00 N ATOM 0 H HIS A 40 -6.403 9.083 -3.172 1.00 0.00 H new ATOM 0 HA HIS A 40 -8.469 9.740 -1.280 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -7.865 11.282 -3.065 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -8.163 10.063 -4.287 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -10.558 11.476 -1.430 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -12.611 11.460 -5.142 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -12.798 11.992 -2.660 1.00 0.00 H new ATOM 607 N ARG A 41 -10.348 8.172 -1.754 1.00 0.00 N ATOM 608 CA ARG A 41 -11.360 7.130 -1.885 1.00 0.00 C ATOM 609 C ARG A 41 -10.793 5.770 -1.489 1.00 0.00 C ATOM 610 O ARG A 41 -11.176 4.740 -2.044 1.00 0.00 O ATOM 611 CB ARG A 41 -11.885 7.077 -3.321 1.00 0.00 C ATOM 612 CG ARG A 41 -12.457 8.398 -3.809 1.00 0.00 C ATOM 613 CD ARG A 41 -13.951 8.491 -3.539 1.00 0.00 C ATOM 614 NE ARG A 41 -14.458 9.847 -3.732 1.00 0.00 N ATOM 615 CZ ARG A 41 -15.726 10.124 -4.014 1.00 0.00 C ATOM 616 NH1 ARG A 41 -16.611 9.145 -4.135 1.00 0.00 N ATOM 617 NH2 ARG A 41 -16.111 11.384 -4.175 1.00 0.00 N ATOM 0 H ARG A 41 -10.553 8.871 -1.040 1.00 0.00 H new ATOM 0 HA ARG A 41 -12.184 7.371 -1.213 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -11.075 6.774 -3.984 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -12.656 6.310 -3.389 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -11.945 9.223 -3.314 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -12.272 8.503 -4.878 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -14.482 7.807 -4.201 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -14.156 8.169 -2.518 1.00 0.00 H new ATOM 0 HE ARG A 41 -13.803 10.624 -3.646 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -16.319 8.175 -4.011 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -17.584 9.361 -4.352 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -15.433 12.140 -4.082 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -17.085 11.596 -4.392 1.00 0.00 H new ATOM 631 N LYS A 42 -9.879 5.773 -0.525 1.00 0.00 N ATOM 632 CA LYS A 42 -9.259 4.541 -0.052 1.00 0.00 C ATOM 633 C LYS A 42 -9.270 4.476 1.472 1.00 0.00 C ATOM 634 O LYS A 42 -8.958 5.457 2.146 1.00 0.00 O ATOM 635 CB LYS A 42 -7.822 4.438 -0.568 1.00 0.00 C ATOM 636 CG LYS A 42 -7.724 3.946 -2.001 1.00 0.00 C ATOM 637 CD LYS A 42 -8.092 2.476 -2.113 1.00 0.00 C ATOM 638 CE LYS A 42 -8.172 2.030 -3.565 1.00 0.00 C ATOM 639 NZ LYS A 42 -9.306 2.677 -4.282 1.00 0.00 N ATOM 0 H LYS A 42 -9.551 6.617 -0.055 1.00 0.00 H new ATOM 0 HA LYS A 42 -9.838 3.701 -0.437 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -7.348 5.417 -0.496 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -7.260 3.763 0.078 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -8.385 4.537 -2.635 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -6.709 4.097 -2.370 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -7.352 1.874 -1.587 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -9.051 2.302 -1.624 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -7.237 2.271 -4.071 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -8.287 0.947 -3.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -9.498 2.162 -5.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -10.153 2.659 -3.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -9.060 3.663 -4.503 1.00 0.00 H new ATOM 653 N SER A 43 -9.629 3.314 2.007 1.00 0.00 N ATOM 654 CA SER A 43 -9.682 3.122 3.452 1.00 0.00 C ATOM 655 C SER A 43 -8.620 2.126 3.907 1.00 0.00 C ATOM 656 O SER A 43 -8.129 1.320 3.117 1.00 0.00 O ATOM 657 CB SER A 43 -11.070 2.632 3.872 1.00 0.00 C ATOM 658 OG SER A 43 -11.233 1.255 3.583 1.00 0.00 O ATOM 0 H SER A 43 -9.887 2.491 1.462 1.00 0.00 H new ATOM 0 HA SER A 43 -9.483 4.082 3.929 1.00 0.00 H new ATOM 0 HB2 SER A 43 -11.212 2.802 4.939 1.00 0.00 H new ATOM 0 HB3 SER A 43 -11.835 3.209 3.353 1.00 0.00 H new ATOM 0 HG SER A 43 -12.127 0.966 3.862 1.00 0.00 H new ATOM 664 N ALA A 44 -8.269 2.189 5.188 1.00 0.00 N ATOM 665 CA ALA A 44 -7.267 1.292 5.750 1.00 0.00 C ATOM 666 C ALA A 44 -7.460 -0.134 5.245 1.00 0.00 C ATOM 667 O ALA A 44 -6.500 -0.807 4.872 1.00 0.00 O ATOM 668 CB ALA A 44 -7.320 1.328 7.270 1.00 0.00 C ATOM 0 H ALA A 44 -8.664 2.852 5.855 1.00 0.00 H new ATOM 0 HA ALA A 44 -6.285 1.634 5.423 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -6.566 0.653 7.676 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -7.124 2.343 7.617 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -8.308 1.014 7.607 1.00 0.00 H new ATOM 674 N LYS A 45 -8.709 -0.588 5.235 1.00 0.00 N ATOM 675 CA LYS A 45 -9.030 -1.934 4.776 1.00 0.00 C ATOM 676 C LYS A 45 -8.510 -2.164 3.360 1.00 0.00 C ATOM 677 O LYS A 45 -7.801 -3.136 3.100 1.00 0.00 O ATOM 678 CB LYS A 45 -10.542 -2.163 4.819 1.00 0.00 C ATOM 679 CG LYS A 45 -11.008 -3.315 3.946 1.00 0.00 C ATOM 680 CD LYS A 45 -12.251 -3.979 4.515 1.00 0.00 C ATOM 681 CE LYS A 45 -12.829 -5.001 3.548 1.00 0.00 C ATOM 682 NZ LYS A 45 -14.305 -5.130 3.695 1.00 0.00 N ATOM 0 H LYS A 45 -9.516 -0.043 5.540 1.00 0.00 H new ATOM 0 HA LYS A 45 -8.542 -2.645 5.443 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -10.843 -2.354 5.849 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -11.048 -1.251 4.503 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -11.218 -2.949 2.941 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -10.209 -4.051 3.857 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -12.005 -4.467 5.458 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -13.002 -3.220 4.736 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -12.590 -4.709 2.525 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -12.361 -5.970 3.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -14.661 -5.836 3.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -14.532 -5.433 4.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -14.754 -4.211 3.505 1.00 0.00 H new ATOM 696 N GLN A 46 -8.867 -1.264 2.450 1.00 0.00 N ATOM 697 CA GLN A 46 -8.436 -1.369 1.061 1.00 0.00 C ATOM 698 C GLN A 46 -6.916 -1.462 0.969 1.00 0.00 C ATOM 699 O GLN A 46 -6.379 -2.223 0.163 1.00 0.00 O ATOM 700 CB GLN A 46 -8.934 -0.167 0.257 1.00 0.00 C ATOM 701 CG GLN A 46 -10.430 -0.193 -0.011 1.00 0.00 C ATOM 702 CD GLN A 46 -10.816 0.601 -1.243 1.00 0.00 C ATOM 703 OE1 GLN A 46 -10.207 0.271 -2.376 1.00 0.00 O flip ATOM 704 NE2 GLN A 46 -11.653 1.502 -1.178 1.00 0.00 N flip ATOM 0 H GLN A 46 -9.454 -0.454 2.649 1.00 0.00 H new ATOM 0 HA GLN A 46 -8.865 -2.279 0.642 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -8.685 0.748 0.795 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -8.403 -0.132 -0.694 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -10.756 -1.226 -0.133 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -10.957 0.208 0.855 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -12.097 1.723 -0.286 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -11.903 2.028 -2.016 1.00 0.00 H new ATOM 713 N CYS A 47 -6.229 -0.685 1.798 1.00 0.00 N ATOM 714 CA CYS A 47 -4.771 -0.679 1.810 1.00 0.00 C ATOM 715 C CYS A 47 -4.225 -2.033 2.251 1.00 0.00 C ATOM 716 O CYS A 47 -3.431 -2.655 1.544 1.00 0.00 O ATOM 717 CB CYS A 47 -4.252 0.421 2.737 1.00 0.00 C ATOM 718 SG CYS A 47 -4.447 2.094 2.081 1.00 0.00 S ATOM 0 H CYS A 47 -6.659 -0.050 2.471 1.00 0.00 H new ATOM 0 HA CYS A 47 -4.425 -0.482 0.795 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -4.775 0.353 3.691 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -3.196 0.243 2.939 1.00 0.00 H new ATOM 0 HG CYS A 47 -5.671 2.492 2.264 1.00 0.00 H new ATOM 724 N LYS A 48 -4.654 -2.484 3.424 1.00 0.00 N ATOM 725 CA LYS A 48 -4.209 -3.764 3.962 1.00 0.00 C ATOM 726 C LYS A 48 -4.538 -4.902 3.000 1.00 0.00 C ATOM 727 O LYS A 48 -3.678 -5.720 2.674 1.00 0.00 O ATOM 728 CB LYS A 48 -4.863 -4.026 5.320 1.00 0.00 C ATOM 729 CG LYS A 48 -4.217 -5.160 6.098 1.00 0.00 C ATOM 730 CD LYS A 48 -4.697 -5.192 7.539 1.00 0.00 C ATOM 731 CE LYS A 48 -4.187 -6.425 8.269 1.00 0.00 C ATOM 732 NZ LYS A 48 -4.930 -7.652 7.871 1.00 0.00 N ATOM 0 H LYS A 48 -5.310 -1.981 4.021 1.00 0.00 H new ATOM 0 HA LYS A 48 -3.127 -3.719 4.089 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -4.818 -3.115 5.917 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -5.918 -4.256 5.168 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.447 -6.110 5.616 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -3.133 -5.046 6.077 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -4.357 -4.295 8.057 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -5.787 -5.180 7.561 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -3.126 -6.559 8.058 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -4.282 -6.276 9.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -4.587 -8.461 8.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -5.946 -7.516 8.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -4.777 -7.838 6.859 1.00 0.00 H new ATOM 746 N ALA A 49 -5.787 -4.946 2.549 1.00 0.00 N ATOM 747 CA ALA A 49 -6.228 -5.981 1.622 1.00 0.00 C ATOM 748 C ALA A 49 -5.417 -5.944 0.331 1.00 0.00 C ATOM 749 O ALA A 49 -4.682 -6.882 0.022 1.00 0.00 O ATOM 750 CB ALA A 49 -7.711 -5.823 1.320 1.00 0.00 C ATOM 0 H ALA A 49 -6.511 -4.277 2.810 1.00 0.00 H new ATOM 0 HA ALA A 49 -6.066 -6.950 2.095 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -8.026 -6.603 0.627 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -8.282 -5.908 2.245 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -7.889 -4.845 0.872 1.00 0.00 H new ATOM 756 N ARG A 50 -5.556 -4.856 -0.418 1.00 0.00 N ATOM 757 CA ARG A 50 -4.837 -4.698 -1.677 1.00 0.00 C ATOM 758 C ARG A 50 -3.365 -5.063 -1.512 1.00 0.00 C ATOM 759 O ARG A 50 -2.748 -5.623 -2.418 1.00 0.00 O ATOM 760 CB ARG A 50 -4.964 -3.261 -2.185 1.00 0.00 C ATOM 761 CG ARG A 50 -3.950 -2.903 -3.259 1.00 0.00 C ATOM 762 CD ARG A 50 -4.072 -3.818 -4.467 1.00 0.00 C ATOM 763 NE ARG A 50 -3.546 -3.197 -5.680 1.00 0.00 N ATOM 764 CZ ARG A 50 -3.793 -3.649 -6.904 1.00 0.00 C ATOM 765 NH1 ARG A 50 -4.556 -4.720 -7.077 1.00 0.00 N ATOM 766 NH2 ARG A 50 -3.278 -3.030 -7.958 1.00 0.00 N ATOM 0 H ARG A 50 -6.160 -4.070 -0.176 1.00 0.00 H new ATOM 0 HA ARG A 50 -5.281 -5.374 -2.407 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -5.968 -3.112 -2.581 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -4.848 -2.576 -1.345 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -4.096 -1.868 -3.569 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -2.943 -2.973 -2.848 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -3.536 -4.747 -4.274 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -5.119 -4.080 -4.619 1.00 0.00 H new ATOM 0 HE ARG A 50 -2.956 -2.371 -5.581 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -4.954 -5.198 -6.269 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -4.744 -5.065 -8.018 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -2.691 -2.206 -7.829 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -3.469 -3.378 -8.898 1.00 0.00 H new ATOM 780 N TRP A 51 -2.808 -4.740 -0.350 1.00 0.00 N ATOM 781 CA TRP A 51 -1.408 -5.033 -0.066 1.00 0.00 C ATOM 782 C TRP A 51 -1.181 -6.536 0.063 1.00 0.00 C ATOM 783 O TRP A 51 -0.556 -7.155 -0.799 1.00 0.00 O ATOM 784 CB TRP A 51 -0.968 -4.327 1.217 1.00 0.00 C ATOM 785 CG TRP A 51 0.339 -4.829 1.754 1.00 0.00 C ATOM 786 CD1 TRP A 51 0.517 -5.784 2.714 1.00 0.00 C ATOM 787 CD2 TRP A 51 1.648 -4.402 1.362 1.00 0.00 C ATOM 788 NE1 TRP A 51 1.858 -5.975 2.943 1.00 0.00 N ATOM 789 CE2 TRP A 51 2.573 -5.141 2.125 1.00 0.00 C ATOM 790 CE3 TRP A 51 2.128 -3.469 0.439 1.00 0.00 C ATOM 791 CZ2 TRP A 51 3.949 -4.972 1.993 1.00 0.00 C ATOM 792 CZ3 TRP A 51 3.494 -3.304 0.309 1.00 0.00 C ATOM 793 CH2 TRP A 51 4.391 -4.052 1.082 1.00 0.00 C ATOM 0 H TRP A 51 -3.304 -4.275 0.410 1.00 0.00 H new ATOM 0 HA TRP A 51 -0.810 -4.664 -0.899 1.00 0.00 H new ATOM 0 HB2 TRP A 51 -0.887 -3.257 1.025 1.00 0.00 H new ATOM 0 HB3 TRP A 51 -1.739 -4.457 1.977 1.00 0.00 H new ATOM 0 HD1 TRP A 51 -0.279 -6.311 3.219 1.00 0.00 H new ATOM 0 HE1 TRP A 51 2.257 -6.632 3.614 1.00 0.00 H new ATOM 0 HE3 TRP A 51 1.444 -2.888 -0.162 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 4.643 -5.547 2.589 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 3.876 -2.586 -0.401 1.00 0.00 H new ATOM 0 HH2 TRP A 51 5.453 -3.899 0.956 1.00 0.00 H new ATOM 804 N TYR A 52 -1.693 -7.116 1.142 1.00 0.00 N ATOM 805 CA TYR A 52 -1.544 -8.546 1.384 1.00 0.00 C ATOM 806 C TYR A 52 -2.081 -9.356 0.208 1.00 0.00 C ATOM 807 O TYR A 52 -1.746 -10.529 0.045 1.00 0.00 O ATOM 808 CB TYR A 52 -2.272 -8.946 2.669 1.00 0.00 C ATOM 809 CG TYR A 52 -1.487 -8.651 3.927 1.00 0.00 C ATOM 810 CD1 TYR A 52 -0.331 -9.359 4.231 1.00 0.00 C ATOM 811 CD2 TYR A 52 -1.901 -7.662 4.811 1.00 0.00 C ATOM 812 CE1 TYR A 52 0.389 -9.093 5.379 1.00 0.00 C ATOM 813 CE2 TYR A 52 -1.186 -7.388 5.961 1.00 0.00 C ATOM 814 CZ TYR A 52 -0.043 -8.106 6.241 1.00 0.00 C ATOM 815 OH TYR A 52 0.672 -7.837 7.386 1.00 0.00 O ATOM 0 H TYR A 52 -2.215 -6.618 1.863 1.00 0.00 H new ATOM 0 HA TYR A 52 -0.481 -8.761 1.495 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -3.226 -8.421 2.715 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -2.497 -10.012 2.633 1.00 0.00 H new ATOM 0 HD1 TYR A 52 0.011 -10.131 3.558 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -2.797 -7.098 4.596 1.00 0.00 H new ATOM 0 HE1 TYR A 52 1.285 -9.654 5.601 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -1.521 -6.615 6.637 1.00 0.00 H new ATOM 0 HH TYR A 52 0.235 -7.114 7.883 1.00 0.00 H new ATOM 825 N GLU A 53 -2.917 -8.721 -0.607 1.00 0.00 N ATOM 826 CA GLU A 53 -3.501 -9.382 -1.768 1.00 0.00 C ATOM 827 C GLU A 53 -2.432 -9.694 -2.811 1.00 0.00 C ATOM 828 O GLU A 53 -2.220 -10.853 -3.170 1.00 0.00 O ATOM 829 CB GLU A 53 -4.592 -8.506 -2.386 1.00 0.00 C ATOM 830 CG GLU A 53 -5.977 -8.765 -1.817 1.00 0.00 C ATOM 831 CD GLU A 53 -7.065 -8.017 -2.563 1.00 0.00 C ATOM 832 OE1 GLU A 53 -6.863 -7.715 -3.758 1.00 0.00 O ATOM 833 OE2 GLU A 53 -8.116 -7.733 -1.953 1.00 0.00 O ATOM 0 H GLU A 53 -3.205 -7.750 -0.485 1.00 0.00 H new ATOM 0 HA GLU A 53 -3.944 -10.321 -1.435 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -4.335 -7.458 -2.232 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -4.614 -8.673 -3.463 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -6.186 -9.834 -1.853 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -5.995 -8.472 -0.767 1.00 0.00 H new ATOM 840 N TRP A 54 -1.764 -8.654 -3.295 1.00 0.00 N ATOM 841 CA TRP A 54 -0.718 -8.816 -4.298 1.00 0.00 C ATOM 842 C TRP A 54 0.597 -8.211 -3.816 1.00 0.00 C ATOM 843 O TRP A 54 1.666 -8.793 -4.007 1.00 0.00 O ATOM 844 CB TRP A 54 -1.140 -8.165 -5.616 1.00 0.00 C ATOM 845 CG TRP A 54 -2.619 -8.218 -5.857 1.00 0.00 C ATOM 846 CD1 TRP A 54 -3.490 -7.166 -5.840 1.00 0.00 C ATOM 847 CD2 TRP A 54 -3.398 -9.382 -6.148 1.00 0.00 C ATOM 848 NE1 TRP A 54 -4.764 -7.607 -6.104 1.00 0.00 N ATOM 849 CE2 TRP A 54 -4.735 -8.962 -6.298 1.00 0.00 C ATOM 850 CE3 TRP A 54 -3.098 -10.739 -6.300 1.00 0.00 C ATOM 851 CZ2 TRP A 54 -5.766 -9.851 -6.590 1.00 0.00 C ATOM 852 CZ3 TRP A 54 -4.123 -11.620 -6.590 1.00 0.00 C ATOM 853 CH2 TRP A 54 -5.443 -11.173 -6.733 1.00 0.00 C ATOM 0 H TRP A 54 -1.928 -7.689 -3.009 1.00 0.00 H new ATOM 0 HA TRP A 54 -0.568 -9.883 -4.460 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -0.815 -7.124 -5.620 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -0.627 -8.662 -6.439 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -3.217 -6.139 -5.647 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -5.597 -7.020 -6.148 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -2.083 -11.093 -6.193 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -6.785 -9.509 -6.700 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -3.902 -12.671 -6.708 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -6.221 -11.886 -6.961 1.00 0.00 H new ATOM 864 N LEU A 55 0.511 -7.043 -3.191 1.00 0.00 N ATOM 865 CA LEU A 55 1.695 -6.359 -2.681 1.00 0.00 C ATOM 866 C LEU A 55 2.102 -6.917 -1.321 1.00 0.00 C ATOM 867 O LEU A 55 1.670 -6.421 -0.281 1.00 0.00 O ATOM 868 CB LEU A 55 1.432 -4.856 -2.571 1.00 0.00 C ATOM 869 CG LEU A 55 0.434 -4.274 -3.572 1.00 0.00 C ATOM 870 CD1 LEU A 55 0.377 -2.759 -3.450 1.00 0.00 C ATOM 871 CD2 LEU A 55 0.801 -4.683 -4.991 1.00 0.00 C ATOM 0 H LEU A 55 -0.366 -6.549 -3.025 1.00 0.00 H new ATOM 0 HA LEU A 55 2.513 -6.528 -3.382 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.072 -4.643 -1.564 1.00 0.00 H new ATOM 0 HB3 LEU A 55 2.381 -4.332 -2.688 1.00 0.00 H new ATOM 0 HG LEU A 55 -0.554 -4.674 -3.344 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -0.339 -2.363 -4.170 1.00 0.00 H new ATOM 0 HD12 LEU A 55 0.066 -2.487 -2.442 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.363 -2.340 -3.651 1.00 0.00 H new ATOM 0 HD21 LEU A 55 0.080 -4.260 -5.690 1.00 0.00 H new ATOM 0 HD22 LEU A 55 1.798 -4.313 -5.230 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.789 -5.770 -5.071 1.00 0.00 H new ATOM 883 N ASP A 56 2.938 -7.949 -1.338 1.00 0.00 N ATOM 884 CA ASP A 56 3.408 -8.573 -0.106 1.00 0.00 C ATOM 885 C ASP A 56 4.526 -9.569 -0.393 1.00 0.00 C ATOM 886 O ASP A 56 4.490 -10.316 -1.372 1.00 0.00 O ATOM 887 CB ASP A 56 2.252 -9.276 0.608 1.00 0.00 C ATOM 888 CG ASP A 56 2.548 -9.537 2.071 1.00 0.00 C ATOM 889 OD1 ASP A 56 3.298 -10.492 2.363 1.00 0.00 O ATOM 890 OD2 ASP A 56 2.030 -8.787 2.925 1.00 0.00 O ATOM 0 H ASP A 56 3.304 -8.371 -2.191 1.00 0.00 H new ATOM 0 HA ASP A 56 3.802 -7.790 0.541 1.00 0.00 H new ATOM 0 HB2 ASP A 56 1.353 -8.665 0.526 1.00 0.00 H new ATOM 0 HB3 ASP A 56 2.042 -10.222 0.109 1.00 0.00 H new ATOM 895 N PRO A 57 5.546 -9.583 0.478 1.00 0.00 N ATOM 896 CA PRO A 57 6.695 -10.483 0.339 1.00 0.00 C ATOM 897 C PRO A 57 6.325 -11.939 0.599 1.00 0.00 C ATOM 898 O PRO A 57 6.654 -12.824 -0.192 1.00 0.00 O ATOM 899 CB PRO A 57 7.670 -9.980 1.405 1.00 0.00 C ATOM 900 CG PRO A 57 6.809 -9.317 2.424 1.00 0.00 C ATOM 901 CD PRO A 57 5.656 -8.721 1.667 1.00 0.00 C ATOM 0 HA PRO A 57 7.104 -10.470 -0.671 1.00 0.00 H new ATOM 0 HB2 PRO A 57 8.238 -10.802 1.841 1.00 0.00 H new ATOM 0 HB3 PRO A 57 8.393 -9.282 0.983 1.00 0.00 H new ATOM 0 HG2 PRO A 57 6.459 -10.035 3.166 1.00 0.00 H new ATOM 0 HG3 PRO A 57 7.363 -8.547 2.961 1.00 0.00 H new ATOM 0 HD2 PRO A 57 4.740 -8.732 2.257 1.00 0.00 H new ATOM 0 HD3 PRO A 57 5.848 -7.683 1.395 1.00 0.00 H new