USER MOD reduce.3.24.130724 H: found=0, std=0, add=395, rem=0, adj=11 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 Single : A 14 ASN : amide:sc= -0.596 K(o=-0.6,f=-1.9) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.0209 USER MOD Single : A 21 LYS NZ :NH3+ -159:sc= -0.046 (180deg=-0.201) USER MOD Single : A 25 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 154:sc= 0 (180deg=-0.218) USER MOD Single : A 27 TYR OH : rot 165:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 GLN : amide:sc= -0.88! C(o=-0.88!,f=-4.9!) 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= -2.99 X(o=-3,f=-2.9) USER MOD Single : A 42 LYS NZ :NH3+ -113:sc= 0.373 (180deg=-0.0767) 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 46 GLN : amide:sc= -0.946 X(o=-0.95,f=-1.4!) USER MOD Single : A 47 CYS SG : rot -150:sc= -1.04 USER MOD Single : A 48 LYS NZ :NH3+ -130:sc= 0.278 (180deg=-0.645) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 118 N TRP A 12 -7.963 -0.906 -8.525 1.00 0.00 N ATOM 119 CA TRP A 12 -6.838 -0.038 -8.195 1.00 0.00 C ATOM 120 C TRP A 12 -6.137 0.448 -9.459 1.00 0.00 C ATOM 121 O TRP A 12 -6.396 -0.052 -10.554 1.00 0.00 O ATOM 122 CB TRP A 12 -5.844 -0.776 -7.297 1.00 0.00 C ATOM 123 CG TRP A 12 -6.182 -0.689 -5.840 1.00 0.00 C ATOM 124 CD1 TRP A 12 -7.258 -1.251 -5.213 1.00 0.00 C ATOM 125 CD2 TRP A 12 -5.442 0.002 -4.828 1.00 0.00 C ATOM 126 NE1 TRP A 12 -7.230 -0.951 -3.873 1.00 0.00 N ATOM 127 CE2 TRP A 12 -6.126 -0.184 -3.611 1.00 0.00 C ATOM 128 CE3 TRP A 12 -4.267 0.758 -4.831 1.00 0.00 C ATOM 129 CZ2 TRP A 12 -5.673 0.360 -2.412 1.00 0.00 C ATOM 130 CZ3 TRP A 12 -3.818 1.298 -3.641 1.00 0.00 C ATOM 131 CH2 TRP A 12 -4.519 1.096 -2.444 1.00 0.00 C ATOM 0 HA TRP A 12 -7.225 0.829 -7.660 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -5.808 -1.825 -7.592 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -4.847 -0.365 -7.456 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -8.019 -1.844 -5.699 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -7.920 -1.251 -3.184 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -3.719 0.918 -5.748 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -6.213 0.207 -1.489 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -2.912 1.886 -3.633 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -4.142 1.529 -1.530 1.00 0.00 H new ATOM 142 N ARG A 13 -5.249 1.424 -9.301 1.00 0.00 N ATOM 143 CA ARG A 13 -4.512 1.977 -10.430 1.00 0.00 C ATOM 144 C ARG A 13 -3.013 1.989 -10.147 1.00 0.00 C ATOM 145 O ARG A 13 -2.589 2.123 -9.000 1.00 0.00 O ATOM 146 CB ARG A 13 -4.995 3.395 -10.737 1.00 0.00 C ATOM 147 CG ARG A 13 -6.507 3.515 -10.841 1.00 0.00 C ATOM 148 CD ARG A 13 -6.990 3.250 -12.259 1.00 0.00 C ATOM 149 NE ARG A 13 -8.364 3.701 -12.462 1.00 0.00 N ATOM 150 CZ ARG A 13 -8.916 3.859 -13.659 1.00 0.00 C ATOM 151 NH1 ARG A 13 -8.215 3.604 -14.755 1.00 0.00 N ATOM 152 NH2 ARG A 13 -10.173 4.273 -13.763 1.00 0.00 N ATOM 0 H ARG A 13 -5.023 1.848 -8.401 1.00 0.00 H new ATOM 0 HA ARG A 13 -4.696 1.343 -11.297 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -4.639 4.068 -9.957 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -4.547 3.727 -11.674 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -6.977 2.808 -10.157 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -6.816 4.513 -10.530 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -6.334 3.757 -12.966 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -6.924 2.183 -12.471 1.00 0.00 H new ATOM 0 HE ARG A 13 -8.931 3.906 -11.639 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -7.249 3.285 -14.680 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -8.642 3.726 -15.673 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -10.716 4.470 -12.922 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -10.596 4.394 -14.683 1.00 0.00 H new ATOM 166 N ASN A 14 -2.216 1.847 -11.202 1.00 0.00 N ATOM 167 CA ASN A 14 -0.764 1.840 -11.066 1.00 0.00 C ATOM 168 C ASN A 14 -0.301 2.940 -10.116 1.00 0.00 C ATOM 169 O ASN A 14 0.561 2.718 -9.265 1.00 0.00 O ATOM 170 CB ASN A 14 -0.103 2.022 -12.434 1.00 0.00 C ATOM 171 CG ASN A 14 -0.476 3.338 -13.087 1.00 0.00 C ATOM 172 OD1 ASN A 14 -1.631 3.556 -13.455 1.00 0.00 O ATOM 173 ND2 ASN A 14 0.502 4.225 -13.233 1.00 0.00 N ATOM 0 H ASN A 14 -2.551 1.735 -12.159 1.00 0.00 H new ATOM 0 HA ASN A 14 -0.467 0.877 -10.651 1.00 0.00 H new ATOM 0 HB2 ASN A 14 0.980 1.970 -12.321 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -0.395 1.200 -13.088 1.00 0.00 H new ATOM 0 HD21 ASN A 14 0.310 5.129 -13.665 1.00 0.00 H new ATOM 0 HD22 ASN A 14 1.445 4.002 -12.913 1.00 0.00 H new ATOM 180 N THR A 15 -0.880 4.127 -10.266 1.00 0.00 N ATOM 181 CA THR A 15 -0.527 5.261 -9.421 1.00 0.00 C ATOM 182 C THR A 15 -0.869 4.988 -7.961 1.00 0.00 C ATOM 183 O THR A 15 -0.098 5.319 -7.062 1.00 0.00 O ATOM 184 CB THR A 15 -1.250 6.544 -9.874 1.00 0.00 C ATOM 185 OG1 THR A 15 -2.594 6.239 -10.260 1.00 0.00 O ATOM 186 CG2 THR A 15 -0.518 7.196 -11.038 1.00 0.00 C ATOM 0 H THR A 15 -1.595 4.328 -10.965 1.00 0.00 H new ATOM 0 HA THR A 15 0.549 5.404 -9.518 1.00 0.00 H new ATOM 0 HB THR A 15 -1.263 7.242 -9.037 1.00 0.00 H new ATOM 0 HG1 THR A 15 -3.047 7.060 -10.545 1.00 0.00 H new ATOM 0 HG21 THR A 15 -1.047 8.100 -11.340 1.00 0.00 H new ATOM 0 HG22 THR A 15 0.496 7.454 -10.732 1.00 0.00 H new ATOM 0 HG23 THR A 15 -0.477 6.502 -11.877 1.00 0.00 H new ATOM 194 N GLU A 16 -2.029 4.380 -7.734 1.00 0.00 N ATOM 195 CA GLU A 16 -2.472 4.062 -6.381 1.00 0.00 C ATOM 196 C GLU A 16 -1.520 3.073 -5.715 1.00 0.00 C ATOM 197 O GLU A 16 -1.310 3.117 -4.503 1.00 0.00 O ATOM 198 CB GLU A 16 -3.889 3.485 -6.407 1.00 0.00 C ATOM 199 CG GLU A 16 -4.951 4.496 -6.802 1.00 0.00 C ATOM 200 CD GLU A 16 -6.358 4.004 -6.523 1.00 0.00 C ATOM 201 OE1 GLU A 16 -6.792 3.038 -7.185 1.00 0.00 O ATOM 202 OE2 GLU A 16 -7.025 4.584 -5.641 1.00 0.00 O ATOM 0 H GLU A 16 -2.678 4.098 -8.468 1.00 0.00 H new ATOM 0 HA GLU A 16 -2.474 4.985 -5.800 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -3.919 2.648 -7.105 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -4.128 3.086 -5.421 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -4.781 5.426 -6.260 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -4.854 4.724 -7.864 1.00 0.00 H new ATOM 209 N ASP A 17 -0.946 2.183 -6.517 1.00 0.00 N ATOM 210 CA ASP A 17 -0.016 1.182 -6.006 1.00 0.00 C ATOM 211 C ASP A 17 1.324 1.819 -5.649 1.00 0.00 C ATOM 212 O ASP A 17 1.888 1.546 -4.590 1.00 0.00 O ATOM 213 CB ASP A 17 0.191 0.074 -7.039 1.00 0.00 C ATOM 214 CG ASP A 17 -0.903 -0.974 -6.991 1.00 0.00 C ATOM 215 OD1 ASP A 17 -2.079 -0.614 -7.204 1.00 0.00 O ATOM 216 OD2 ASP A 17 -0.583 -2.156 -6.740 1.00 0.00 O ATOM 0 H ASP A 17 -1.108 2.134 -7.523 1.00 0.00 H new ATOM 0 HA ASP A 17 -0.445 0.750 -5.102 1.00 0.00 H new ATOM 0 HB2 ASP A 17 0.226 0.513 -8.036 1.00 0.00 H new ATOM 0 HB3 ASP A 17 1.156 -0.404 -6.867 1.00 0.00 H new ATOM 221 N GLU A 18 1.827 2.667 -6.541 1.00 0.00 N ATOM 222 CA GLU A 18 3.101 3.340 -6.319 1.00 0.00 C ATOM 223 C GLU A 18 3.106 4.068 -4.979 1.00 0.00 C ATOM 224 O GLU A 18 4.079 4.000 -4.227 1.00 0.00 O ATOM 225 CB GLU A 18 3.384 4.330 -7.451 1.00 0.00 C ATOM 226 CG GLU A 18 3.539 3.671 -8.812 1.00 0.00 C ATOM 227 CD GLU A 18 4.484 4.430 -9.723 1.00 0.00 C ATOM 228 OE1 GLU A 18 5.658 4.614 -9.338 1.00 0.00 O ATOM 229 OE2 GLU A 18 4.051 4.839 -10.820 1.00 0.00 O ATOM 0 H GLU A 18 1.372 2.904 -7.423 1.00 0.00 H new ATOM 0 HA GLU A 18 3.885 2.583 -6.304 1.00 0.00 H new ATOM 0 HB2 GLU A 18 2.572 5.056 -7.499 1.00 0.00 H new ATOM 0 HB3 GLU A 18 4.294 4.884 -7.219 1.00 0.00 H new ATOM 0 HG2 GLU A 18 3.907 2.654 -8.679 1.00 0.00 H new ATOM 0 HG3 GLU A 18 2.562 3.597 -9.289 1.00 0.00 H new ATOM 236 N ILE A 19 2.014 4.766 -4.687 1.00 0.00 N ATOM 237 CA ILE A 19 1.891 5.506 -3.438 1.00 0.00 C ATOM 238 C ILE A 19 1.818 4.561 -2.243 1.00 0.00 C ATOM 239 O ILE A 19 2.512 4.752 -1.243 1.00 0.00 O ATOM 240 CB ILE A 19 0.645 6.411 -3.439 1.00 0.00 C ATOM 241 CG1 ILE A 19 0.763 7.477 -4.530 1.00 0.00 C ATOM 242 CG2 ILE A 19 0.460 7.059 -2.075 1.00 0.00 C ATOM 243 CD1 ILE A 19 -0.571 7.917 -5.092 1.00 0.00 C ATOM 0 H ILE A 19 1.201 4.834 -5.299 1.00 0.00 H new ATOM 0 HA ILE A 19 2.782 6.128 -3.352 1.00 0.00 H new ATOM 0 HB ILE A 19 -0.231 5.798 -3.650 1.00 0.00 H new ATOM 0 HG12 ILE A 19 1.281 8.346 -4.123 1.00 0.00 H new ATOM 0 HG13 ILE A 19 1.379 7.089 -5.341 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -0.425 7.696 -2.092 1.00 0.00 H new ATOM 0 HG22 ILE A 19 0.336 6.285 -1.318 1.00 0.00 H new ATOM 0 HG23 ILE A 19 1.336 7.662 -1.837 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -0.411 8.674 -5.860 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -1.083 7.059 -5.529 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -1.182 8.336 -4.293 1.00 0.00 H new ATOM 255 N LEU A 20 0.976 3.540 -2.355 1.00 0.00 N ATOM 256 CA LEU A 20 0.813 2.563 -1.284 1.00 0.00 C ATOM 257 C LEU A 20 2.142 1.889 -0.955 1.00 0.00 C ATOM 258 O LEU A 20 2.691 2.074 0.132 1.00 0.00 O ATOM 259 CB LEU A 20 -0.221 1.508 -1.683 1.00 0.00 C ATOM 260 CG LEU A 20 -0.557 0.462 -0.619 1.00 0.00 C ATOM 261 CD1 LEU A 20 -1.313 1.100 0.536 1.00 0.00 C ATOM 262 CD2 LEU A 20 -1.367 -0.674 -1.226 1.00 0.00 C ATOM 0 H LEU A 20 0.396 3.367 -3.176 1.00 0.00 H new ATOM 0 HA LEU A 20 0.463 3.089 -0.396 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.142 2.019 -1.965 1.00 0.00 H new ATOM 0 HB3 LEU A 20 0.141 0.990 -2.571 1.00 0.00 H new ATOM 0 HG LEU A 20 0.376 0.051 -0.233 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.544 0.341 1.283 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -0.698 1.879 0.987 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -2.240 1.538 0.166 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.597 -1.409 -0.455 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.295 -0.279 -1.639 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -0.790 -1.149 -2.019 1.00 0.00 H new ATOM 274 N LYS A 21 2.655 1.110 -1.901 1.00 0.00 N ATOM 275 CA LYS A 21 3.921 0.412 -1.714 1.00 0.00 C ATOM 276 C LYS A 21 4.908 1.273 -0.933 1.00 0.00 C ATOM 277 O LYS A 21 5.340 0.904 0.158 1.00 0.00 O ATOM 278 CB LYS A 21 4.522 0.031 -3.069 1.00 0.00 C ATOM 279 CG LYS A 21 4.049 -1.316 -3.587 1.00 0.00 C ATOM 280 CD LYS A 21 4.396 -1.503 -5.055 1.00 0.00 C ATOM 281 CE LYS A 21 3.286 -0.992 -5.960 1.00 0.00 C ATOM 282 NZ LYS A 21 3.551 -1.301 -7.392 1.00 0.00 N ATOM 0 H LYS A 21 2.213 0.946 -2.806 1.00 0.00 H new ATOM 0 HA LYS A 21 3.725 -0.495 -1.142 1.00 0.00 H new ATOM 0 HB2 LYS A 21 4.269 0.800 -3.798 1.00 0.00 H new ATOM 0 HB3 LYS A 21 5.609 0.017 -2.984 1.00 0.00 H new ATOM 0 HG2 LYS A 21 4.505 -2.113 -3.000 1.00 0.00 H new ATOM 0 HG3 LYS A 21 2.970 -1.400 -3.454 1.00 0.00 H new ATOM 0 HD2 LYS A 21 5.323 -0.975 -5.281 1.00 0.00 H new ATOM 0 HD3 LYS A 21 4.573 -2.559 -5.256 1.00 0.00 H new ATOM 0 HE2 LYS A 21 2.339 -1.440 -5.661 1.00 0.00 H new ATOM 0 HE3 LYS A 21 3.182 0.086 -5.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 2.997 -0.659 -7.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 4.564 -1.175 -7.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 3.278 -2.285 -7.591 1.00 0.00 H new ATOM 296 N ALA A 22 5.258 2.424 -1.498 1.00 0.00 N ATOM 297 CA ALA A 22 6.191 3.339 -0.852 1.00 0.00 C ATOM 298 C ALA A 22 5.783 3.610 0.592 1.00 0.00 C ATOM 299 O ALA A 22 6.508 3.270 1.526 1.00 0.00 O ATOM 300 CB ALA A 22 6.276 4.643 -1.632 1.00 0.00 C ATOM 0 H ALA A 22 4.910 2.745 -2.401 1.00 0.00 H new ATOM 0 HA ALA A 22 7.174 2.869 -0.842 1.00 0.00 H new ATOM 0 HB1 ALA A 22 6.976 5.317 -1.139 1.00 0.00 H new ATOM 0 HB2 ALA A 22 6.622 4.439 -2.645 1.00 0.00 H new ATOM 0 HB3 ALA A 22 5.291 5.108 -1.671 1.00 0.00 H new ATOM 306 N ALA A 23 4.618 4.226 0.767 1.00 0.00 N ATOM 307 CA ALA A 23 4.114 4.541 2.098 1.00 0.00 C ATOM 308 C ALA A 23 4.336 3.378 3.059 1.00 0.00 C ATOM 309 O ALA A 23 4.980 3.532 4.096 1.00 0.00 O ATOM 310 CB ALA A 23 2.636 4.899 2.031 1.00 0.00 C ATOM 0 H ALA A 23 4.006 4.516 0.004 1.00 0.00 H new ATOM 0 HA ALA A 23 4.668 5.400 2.476 1.00 0.00 H new ATOM 0 HB1 ALA A 23 2.272 5.132 3.032 1.00 0.00 H new ATOM 0 HB2 ALA A 23 2.501 5.766 1.385 1.00 0.00 H new ATOM 0 HB3 ALA A 23 2.075 4.055 1.628 1.00 0.00 H new ATOM 316 N VAL A 24 3.797 2.215 2.708 1.00 0.00 N ATOM 317 CA VAL A 24 3.936 1.026 3.539 1.00 0.00 C ATOM 318 C VAL A 24 5.394 0.784 3.913 1.00 0.00 C ATOM 319 O VAL A 24 5.692 0.253 4.982 1.00 0.00 O ATOM 320 CB VAL A 24 3.387 -0.225 2.827 1.00 0.00 C ATOM 321 CG1 VAL A 24 3.618 -1.467 3.674 1.00 0.00 C ATOM 322 CG2 VAL A 24 1.908 -0.052 2.512 1.00 0.00 C ATOM 0 H VAL A 24 3.260 2.071 1.853 1.00 0.00 H new ATOM 0 HA VAL A 24 3.356 1.204 4.444 1.00 0.00 H new ATOM 0 HB VAL A 24 3.924 -0.351 1.887 1.00 0.00 H new ATOM 0 HG11 VAL A 24 3.223 -2.340 3.154 1.00 0.00 H new ATOM 0 HG12 VAL A 24 4.687 -1.598 3.844 1.00 0.00 H new ATOM 0 HG13 VAL A 24 3.110 -1.354 4.632 1.00 0.00 H new ATOM 0 HG21 VAL A 24 1.536 -0.945 2.009 1.00 0.00 H new ATOM 0 HG22 VAL A 24 1.354 0.100 3.438 1.00 0.00 H new ATOM 0 HG23 VAL A 24 1.773 0.813 1.863 1.00 0.00 H new ATOM 332 N MET A 25 6.300 1.180 3.025 1.00 0.00 N ATOM 333 CA MET A 25 7.729 1.008 3.263 1.00 0.00 C ATOM 334 C MET A 25 8.265 2.110 4.172 1.00 0.00 C ATOM 335 O MET A 25 9.251 1.917 4.883 1.00 0.00 O ATOM 336 CB MET A 25 8.492 1.008 1.937 1.00 0.00 C ATOM 337 CG MET A 25 8.113 -0.141 1.018 1.00 0.00 C ATOM 338 SD MET A 25 9.110 -1.617 1.303 1.00 0.00 S ATOM 339 CE MET A 25 8.343 -2.769 0.168 1.00 0.00 C ATOM 0 H MET A 25 6.071 1.622 2.135 1.00 0.00 H new ATOM 0 HA MET A 25 7.877 0.049 3.759 1.00 0.00 H new ATOM 0 HB2 MET A 25 8.308 1.951 1.421 1.00 0.00 H new ATOM 0 HB3 MET A 25 9.561 0.960 2.143 1.00 0.00 H new ATOM 0 HG2 MET A 25 7.061 -0.385 1.163 1.00 0.00 H new ATOM 0 HG3 MET A 25 8.227 0.175 -0.019 1.00 0.00 H new ATOM 0 HE1 MET A 25 8.851 -3.732 0.228 1.00 0.00 H new ATOM 0 HE2 MET A 25 7.293 -2.895 0.432 1.00 0.00 H new ATOM 0 HE3 MET A 25 8.418 -2.383 -0.848 1.00 0.00 H new ATOM 349 N LYS A 26 7.610 3.265 4.143 1.00 0.00 N ATOM 350 CA LYS A 26 8.019 4.398 4.965 1.00 0.00 C ATOM 351 C LYS A 26 7.377 4.328 6.347 1.00 0.00 C ATOM 352 O LYS A 26 8.071 4.231 7.360 1.00 0.00 O ATOM 353 CB LYS A 26 7.640 5.714 4.281 1.00 0.00 C ATOM 354 CG LYS A 26 8.438 6.908 4.776 1.00 0.00 C ATOM 355 CD LYS A 26 7.821 8.219 4.318 1.00 0.00 C ATOM 356 CE LYS A 26 8.478 9.411 4.997 1.00 0.00 C ATOM 357 NZ LYS A 26 7.968 9.612 6.381 1.00 0.00 N ATOM 0 H LYS A 26 6.793 3.442 3.559 1.00 0.00 H new ATOM 0 HA LYS A 26 9.102 4.356 5.084 1.00 0.00 H new ATOM 0 HB2 LYS A 26 7.786 5.610 3.206 1.00 0.00 H new ATOM 0 HB3 LYS A 26 6.579 5.905 4.441 1.00 0.00 H new ATOM 0 HG2 LYS A 26 8.487 6.888 5.865 1.00 0.00 H new ATOM 0 HG3 LYS A 26 9.462 6.839 4.410 1.00 0.00 H new ATOM 0 HD2 LYS A 26 7.924 8.313 3.237 1.00 0.00 H new ATOM 0 HD3 LYS A 26 6.753 8.216 4.538 1.00 0.00 H new ATOM 0 HE2 LYS A 26 9.557 9.263 5.026 1.00 0.00 H new ATOM 0 HE3 LYS A 26 8.295 10.310 4.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 8.690 10.098 6.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 7.103 10.189 6.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 7.754 8.689 6.809 1.00 0.00 H new ATOM 371 N TYR A 27 6.050 4.376 6.381 1.00 0.00 N ATOM 372 CA TYR A 27 5.315 4.319 7.639 1.00 0.00 C ATOM 373 C TYR A 27 5.333 2.907 8.217 1.00 0.00 C ATOM 374 O TYR A 27 5.320 2.722 9.433 1.00 0.00 O ATOM 375 CB TYR A 27 3.871 4.779 7.431 1.00 0.00 C ATOM 376 CG TYR A 27 3.749 6.032 6.595 1.00 0.00 C ATOM 377 CD1 TYR A 27 4.724 7.021 6.643 1.00 0.00 C ATOM 378 CD2 TYR A 27 2.658 6.229 5.757 1.00 0.00 C ATOM 379 CE1 TYR A 27 4.617 8.168 5.880 1.00 0.00 C ATOM 380 CE2 TYR A 27 2.543 7.372 4.990 1.00 0.00 C ATOM 381 CZ TYR A 27 3.525 8.339 5.055 1.00 0.00 C ATOM 382 OH TYR A 27 3.413 9.479 4.294 1.00 0.00 O ATOM 0 H TYR A 27 5.461 4.454 5.552 1.00 0.00 H new ATOM 0 HA TYR A 27 5.804 4.988 8.347 1.00 0.00 H new ATOM 0 HB2 TYR A 27 3.309 3.977 6.953 1.00 0.00 H new ATOM 0 HB3 TYR A 27 3.411 4.955 8.403 1.00 0.00 H new ATOM 0 HD1 TYR A 27 5.580 6.891 7.288 1.00 0.00 H new ATOM 0 HD2 TYR A 27 1.886 5.475 5.705 1.00 0.00 H new ATOM 0 HE1 TYR A 27 5.384 8.926 5.929 1.00 0.00 H new ATOM 0 HE2 TYR A 27 1.689 7.508 4.343 1.00 0.00 H new ATOM 0 HH TYR A 27 2.731 9.345 3.603 1.00 0.00 H new ATOM 392 N GLY A 28 5.364 1.914 7.334 1.00 0.00 N ATOM 393 CA GLY A 28 5.384 0.531 7.774 1.00 0.00 C ATOM 394 C GLY A 28 4.030 -0.138 7.646 1.00 0.00 C ATOM 395 O GLY A 28 3.046 0.501 7.274 1.00 0.00 O ATOM 0 H GLY A 28 5.376 2.042 6.322 1.00 0.00 H new ATOM 0 HA2 GLY A 28 6.116 -0.023 7.187 1.00 0.00 H new ATOM 0 HA3 GLY A 28 5.710 0.488 8.813 1.00 0.00 H new ATOM 399 N LYS A 29 3.978 -1.430 7.953 1.00 0.00 N ATOM 400 CA LYS A 29 2.735 -2.187 7.871 1.00 0.00 C ATOM 401 C LYS A 29 1.911 -2.021 9.144 1.00 0.00 C ATOM 402 O LYS A 29 1.306 -2.974 9.631 1.00 0.00 O ATOM 403 CB LYS A 29 3.032 -3.669 7.633 1.00 0.00 C ATOM 404 CG LYS A 29 3.764 -3.942 6.330 1.00 0.00 C ATOM 405 CD LYS A 29 4.528 -5.254 6.384 1.00 0.00 C ATOM 406 CE LYS A 29 5.079 -5.634 5.018 1.00 0.00 C ATOM 407 NZ LYS A 29 6.335 -6.427 5.128 1.00 0.00 N ATOM 0 H LYS A 29 4.783 -1.975 8.261 1.00 0.00 H new ATOM 0 HA LYS A 29 2.157 -1.799 7.032 1.00 0.00 H new ATOM 0 HB2 LYS A 29 3.629 -4.049 8.462 1.00 0.00 H new ATOM 0 HB3 LYS A 29 2.094 -4.224 7.636 1.00 0.00 H new ATOM 0 HG2 LYS A 29 3.048 -3.970 5.509 1.00 0.00 H new ATOM 0 HG3 LYS A 29 4.456 -3.126 6.122 1.00 0.00 H new ATOM 0 HD2 LYS A 29 5.348 -5.170 7.098 1.00 0.00 H new ATOM 0 HD3 LYS A 29 3.870 -6.045 6.745 1.00 0.00 H new ATOM 0 HE2 LYS A 29 4.332 -6.211 4.473 1.00 0.00 H new ATOM 0 HE3 LYS A 29 5.269 -4.730 4.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 6.679 -6.666 4.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 7.056 -5.867 5.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 6.148 -7.302 5.659 1.00 0.00 H new ATOM 421 N ASN A 30 1.892 -0.803 9.676 1.00 0.00 N ATOM 422 CA ASN A 30 1.141 -0.512 10.892 1.00 0.00 C ATOM 423 C ASN A 30 0.318 0.763 10.731 1.00 0.00 C ATOM 424 O ASN A 30 -0.799 0.859 11.237 1.00 0.00 O ATOM 425 CB ASN A 30 2.092 -0.372 12.082 1.00 0.00 C ATOM 426 CG ASN A 30 2.722 -1.693 12.477 1.00 0.00 C ATOM 427 OD1 ASN A 30 2.245 -2.375 13.385 1.00 0.00 O ATOM 428 ND2 ASN A 30 3.801 -2.062 11.795 1.00 0.00 N ATOM 0 H ASN A 30 2.388 -0.002 9.284 1.00 0.00 H new ATOM 0 HA ASN A 30 0.459 -1.342 11.076 1.00 0.00 H new ATOM 0 HB2 ASN A 30 2.877 0.342 11.834 1.00 0.00 H new ATOM 0 HB3 ASN A 30 1.547 0.036 12.933 1.00 0.00 H new ATOM 0 HD21 ASN A 30 4.268 -2.941 12.016 1.00 0.00 H new ATOM 0 HD22 ASN A 30 4.162 -1.466 11.050 1.00 0.00 H new ATOM 435 N GLN A 31 0.880 1.738 10.023 1.00 0.00 N ATOM 436 CA GLN A 31 0.198 3.006 9.796 1.00 0.00 C ATOM 437 C GLN A 31 -0.751 2.909 8.606 1.00 0.00 C ATOM 438 O GLN A 31 -0.853 3.837 7.803 1.00 0.00 O ATOM 439 CB GLN A 31 1.217 4.122 9.560 1.00 0.00 C ATOM 440 CG GLN A 31 2.214 4.285 10.696 1.00 0.00 C ATOM 441 CD GLN A 31 2.702 5.713 10.845 1.00 0.00 C ATOM 442 OE1 GLN A 31 1.988 6.574 11.359 1.00 0.00 O ATOM 443 NE2 GLN A 31 3.924 5.971 10.395 1.00 0.00 N ATOM 0 H GLN A 31 1.805 1.674 9.597 1.00 0.00 H new ATOM 0 HA GLN A 31 -0.387 3.239 10.686 1.00 0.00 H new ATOM 0 HB2 GLN A 31 1.760 3.918 8.637 1.00 0.00 H new ATOM 0 HB3 GLN A 31 0.686 5.063 9.416 1.00 0.00 H new ATOM 0 HG2 GLN A 31 1.751 3.964 11.629 1.00 0.00 H new ATOM 0 HG3 GLN A 31 3.068 3.630 10.522 1.00 0.00 H new ATOM 0 HE21 GLN A 31 4.481 5.226 9.976 1.00 0.00 H new ATOM 0 HE22 GLN A 31 4.306 6.914 10.468 1.00 0.00 H new ATOM 452 N TRP A 32 -1.443 1.780 8.498 1.00 0.00 N ATOM 453 CA TRP A 32 -2.383 1.562 7.405 1.00 0.00 C ATOM 454 C TRP A 32 -3.391 2.703 7.317 1.00 0.00 C ATOM 455 O TRP A 32 -3.428 3.436 6.329 1.00 0.00 O ATOM 456 CB TRP A 32 -3.115 0.232 7.593 1.00 0.00 C ATOM 457 CG TRP A 32 -2.241 -0.964 7.369 1.00 0.00 C ATOM 458 CD1 TRP A 32 -1.966 -1.958 8.265 1.00 0.00 C ATOM 459 CD2 TRP A 32 -1.525 -1.291 6.173 1.00 0.00 C ATOM 460 NE1 TRP A 32 -1.123 -2.882 7.698 1.00 0.00 N ATOM 461 CE2 TRP A 32 -0.838 -2.497 6.415 1.00 0.00 C ATOM 462 CE3 TRP A 32 -1.399 -0.683 4.921 1.00 0.00 C ATOM 463 CZ2 TRP A 32 -0.037 -3.103 5.450 1.00 0.00 C ATOM 464 CZ3 TRP A 32 -0.604 -1.287 3.965 1.00 0.00 C ATOM 465 CH2 TRP A 32 0.068 -2.487 4.233 1.00 0.00 C ATOM 0 H TRP A 32 -1.371 1.002 9.154 1.00 0.00 H new ATOM 0 HA TRP A 32 -1.818 1.530 6.474 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -3.524 0.190 8.603 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -3.959 0.190 6.905 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -2.355 -2.010 9.271 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -0.767 -3.720 8.158 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -1.913 0.242 4.704 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 0.483 -4.027 5.655 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -0.499 -0.826 2.994 1.00 0.00 H new ATOM 0 HH2 TRP A 32 0.681 -2.934 3.464 1.00 0.00 H new ATOM 476 N SER A 33 -4.206 2.849 8.358 1.00 0.00 N ATOM 477 CA SER A 33 -5.216 3.899 8.396 1.00 0.00 C ATOM 478 C SER A 33 -4.666 5.203 7.825 1.00 0.00 C ATOM 479 O SER A 33 -5.323 5.868 7.023 1.00 0.00 O ATOM 480 CB SER A 33 -5.698 4.121 9.831 1.00 0.00 C ATOM 481 OG SER A 33 -7.006 4.666 9.852 1.00 0.00 O ATOM 0 H SER A 33 -4.186 2.253 9.186 1.00 0.00 H new ATOM 0 HA SER A 33 -6.059 3.580 7.782 1.00 0.00 H new ATOM 0 HB2 SER A 33 -5.686 3.175 10.372 1.00 0.00 H new ATOM 0 HB3 SER A 33 -5.013 4.793 10.348 1.00 0.00 H new ATOM 0 HG SER A 33 -7.291 4.797 10.780 1.00 0.00 H new ATOM 487 N ARG A 34 -3.457 5.562 8.245 1.00 0.00 N ATOM 488 CA ARG A 34 -2.819 6.786 7.777 1.00 0.00 C ATOM 489 C ARG A 34 -2.540 6.716 6.279 1.00 0.00 C ATOM 490 O ARG A 34 -2.887 7.628 5.529 1.00 0.00 O ATOM 491 CB ARG A 34 -1.515 7.029 8.539 1.00 0.00 C ATOM 492 CG ARG A 34 -0.910 8.401 8.289 1.00 0.00 C ATOM 493 CD ARG A 34 0.605 8.374 8.420 1.00 0.00 C ATOM 494 NE ARG A 34 1.041 8.658 9.784 1.00 0.00 N ATOM 495 CZ ARG A 34 1.029 9.873 10.322 1.00 0.00 C ATOM 496 NH1 ARG A 34 0.605 10.910 9.615 1.00 0.00 N ATOM 497 NH2 ARG A 34 1.442 10.051 11.571 1.00 0.00 N ATOM 0 H ARG A 34 -2.900 5.023 8.908 1.00 0.00 H new ATOM 0 HA ARG A 34 -3.501 7.616 7.963 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -1.701 6.912 9.607 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -0.791 6.265 8.256 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -1.184 8.744 7.291 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -1.325 9.118 8.998 1.00 0.00 H new ATOM 0 HD2 ARG A 34 0.978 7.396 8.116 1.00 0.00 H new ATOM 0 HD3 ARG A 34 1.041 9.106 7.740 1.00 0.00 H new ATOM 0 HE ARG A 34 1.373 7.881 10.355 1.00 0.00 H new ATOM 0 HH11 ARG A 34 0.287 10.777 8.655 1.00 0.00 H new ATOM 0 HH12 ARG A 34 0.597 11.841 10.031 1.00 0.00 H new ATOM 0 HH21 ARG A 34 1.769 9.255 12.118 1.00 0.00 H new ATOM 0 HH22 ARG A 34 1.433 10.984 11.983 1.00 0.00 H new ATOM 511 N ILE A 35 -1.910 5.627 5.850 1.00 0.00 N ATOM 512 CA ILE A 35 -1.584 5.438 4.442 1.00 0.00 C ATOM 513 C ILE A 35 -2.804 5.680 3.559 1.00 0.00 C ATOM 514 O ILE A 35 -2.714 6.347 2.529 1.00 0.00 O ATOM 515 CB ILE A 35 -1.045 4.020 4.174 1.00 0.00 C ATOM 516 CG1 ILE A 35 0.255 3.791 4.949 1.00 0.00 C ATOM 517 CG2 ILE A 35 -0.824 3.810 2.684 1.00 0.00 C ATOM 518 CD1 ILE A 35 0.548 2.332 5.219 1.00 0.00 C ATOM 0 H ILE A 35 -1.615 4.862 6.458 1.00 0.00 H new ATOM 0 HA ILE A 35 -0.810 6.165 4.197 1.00 0.00 H new ATOM 0 HB ILE A 35 -1.783 3.295 4.517 1.00 0.00 H new ATOM 0 HG12 ILE A 35 1.084 4.222 4.388 1.00 0.00 H new ATOM 0 HG13 ILE A 35 0.202 4.324 5.898 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -0.443 2.803 2.511 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -1.768 3.937 2.155 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -0.102 4.539 2.317 1.00 0.00 H new ATOM 0 HD11 ILE A 35 1.484 2.245 5.771 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -0.262 1.901 5.807 1.00 0.00 H new ATOM 0 HD13 ILE A 35 0.634 1.797 4.273 1.00 0.00 H new ATOM 530 N ALA A 36 -3.944 5.135 3.971 1.00 0.00 N ATOM 531 CA ALA A 36 -5.182 5.296 3.219 1.00 0.00 C ATOM 532 C ALA A 36 -5.457 6.765 2.920 1.00 0.00 C ATOM 533 O ALA A 36 -5.986 7.105 1.862 1.00 0.00 O ATOM 534 CB ALA A 36 -6.347 4.684 3.985 1.00 0.00 C ATOM 0 H ALA A 36 -4.036 4.579 4.821 1.00 0.00 H new ATOM 0 HA ALA A 36 -5.071 4.774 2.268 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -7.266 4.811 3.412 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -6.161 3.621 4.142 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -6.449 5.181 4.950 1.00 0.00 H new ATOM 540 N SER A 37 -5.094 7.633 3.859 1.00 0.00 N ATOM 541 CA SER A 37 -5.306 9.067 3.698 1.00 0.00 C ATOM 542 C SER A 37 -4.643 9.573 2.420 1.00 0.00 C ATOM 543 O SER A 37 -5.192 10.421 1.715 1.00 0.00 O ATOM 544 CB SER A 37 -4.754 9.825 4.907 1.00 0.00 C ATOM 545 OG SER A 37 -5.280 11.139 4.968 1.00 0.00 O ATOM 0 H SER A 37 -4.652 7.368 4.739 1.00 0.00 H new ATOM 0 HA SER A 37 -6.379 9.245 3.626 1.00 0.00 H new ATOM 0 HB2 SER A 37 -5.003 9.287 5.822 1.00 0.00 H new ATOM 0 HB3 SER A 37 -3.666 9.868 4.848 1.00 0.00 H new ATOM 0 HG SER A 37 -4.913 11.602 5.750 1.00 0.00 H new ATOM 551 N LEU A 38 -3.458 9.049 2.129 1.00 0.00 N ATOM 552 CA LEU A 38 -2.718 9.446 0.936 1.00 0.00 C ATOM 553 C LEU A 38 -3.536 9.187 -0.325 1.00 0.00 C ATOM 554 O LEU A 38 -3.611 10.036 -1.214 1.00 0.00 O ATOM 555 CB LEU A 38 -1.390 8.690 0.860 1.00 0.00 C ATOM 556 CG LEU A 38 -0.520 8.735 2.117 1.00 0.00 C ATOM 557 CD1 LEU A 38 0.620 7.733 2.012 1.00 0.00 C ATOM 558 CD2 LEU A 38 0.021 10.139 2.342 1.00 0.00 C ATOM 0 H LEU A 38 -2.989 8.348 2.703 1.00 0.00 H new ATOM 0 HA LEU A 38 -2.517 10.515 1.003 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.602 7.647 0.626 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -0.813 9.093 0.028 1.00 0.00 H new ATOM 0 HG LEU A 38 -1.138 8.464 2.973 1.00 0.00 H new ATOM 0 HD11 LEU A 38 1.229 7.779 2.915 1.00 0.00 H new ATOM 0 HD12 LEU A 38 0.212 6.728 1.900 1.00 0.00 H new ATOM 0 HD13 LEU A 38 1.237 7.973 1.146 1.00 0.00 H new ATOM 0 HD21 LEU A 38 0.638 10.152 3.241 1.00 0.00 H new ATOM 0 HD22 LEU A 38 0.623 10.439 1.484 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -0.810 10.834 2.462 1.00 0.00 H new ATOM 570 N LEU A 39 -4.150 8.011 -0.394 1.00 0.00 N ATOM 571 CA LEU A 39 -4.966 7.640 -1.544 1.00 0.00 C ATOM 572 C LEU A 39 -6.407 8.107 -1.364 1.00 0.00 C ATOM 573 O LEU A 39 -6.965 8.023 -0.269 1.00 0.00 O ATOM 574 CB LEU A 39 -4.932 6.125 -1.752 1.00 0.00 C ATOM 575 CG LEU A 39 -3.543 5.488 -1.818 1.00 0.00 C ATOM 576 CD1 LEU A 39 -3.609 4.022 -1.421 1.00 0.00 C ATOM 577 CD2 LEU A 39 -2.953 5.639 -3.213 1.00 0.00 C ATOM 0 H LEU A 39 -4.098 7.298 0.333 1.00 0.00 H new ATOM 0 HA LEU A 39 -4.552 8.131 -2.424 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -5.488 5.654 -0.941 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -5.460 5.893 -2.677 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.893 6.005 -1.112 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -2.612 3.585 -1.474 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -3.989 3.938 -0.403 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -4.274 3.490 -2.101 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.965 5.180 -3.242 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -3.602 5.148 -3.938 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -2.869 6.697 -3.460 1.00 0.00 H new ATOM 589 N HIS A 40 -7.005 8.598 -2.445 1.00 0.00 N ATOM 590 CA HIS A 40 -8.382 9.076 -2.406 1.00 0.00 C ATOM 591 C HIS A 40 -9.363 7.919 -2.564 1.00 0.00 C ATOM 592 O HIS A 40 -9.160 7.028 -3.389 1.00 0.00 O ATOM 593 CB HIS A 40 -8.616 10.112 -3.506 1.00 0.00 C ATOM 594 CG HIS A 40 -10.022 10.626 -3.556 1.00 0.00 C ATOM 595 ND1 HIS A 40 -10.747 10.722 -4.725 1.00 0.00 N ATOM 596 CD2 HIS A 40 -10.837 11.073 -2.572 1.00 0.00 C ATOM 597 CE1 HIS A 40 -11.947 11.206 -4.457 1.00 0.00 C ATOM 598 NE2 HIS A 40 -12.027 11.427 -3.158 1.00 0.00 N ATOM 0 H HIS A 40 -6.557 8.675 -3.358 1.00 0.00 H new ATOM 0 HA HIS A 40 -8.551 9.543 -1.436 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -7.937 10.951 -3.354 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -8.365 9.669 -4.470 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -10.596 11.139 -1.521 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -12.730 11.390 -5.178 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -12.841 11.800 -2.669 1.00 0.00 H new ATOM 607 N ARG A 41 -10.427 7.938 -1.767 1.00 0.00 N ATOM 608 CA ARG A 41 -11.438 6.889 -1.817 1.00 0.00 C ATOM 609 C ARG A 41 -10.847 5.544 -1.408 1.00 0.00 C ATOM 610 O ARG A 41 -11.134 4.515 -2.020 1.00 0.00 O ATOM 611 CB ARG A 41 -12.032 6.791 -3.224 1.00 0.00 C ATOM 612 CG ARG A 41 -12.525 8.121 -3.771 1.00 0.00 C ATOM 613 CD ARG A 41 -13.984 8.363 -3.414 1.00 0.00 C ATOM 614 NE ARG A 41 -14.143 8.794 -2.027 1.00 0.00 N ATOM 615 CZ ARG A 41 -15.308 9.151 -1.498 1.00 0.00 C ATOM 616 NH1 ARG A 41 -16.410 9.130 -2.236 1.00 0.00 N ATOM 617 NH2 ARG A 41 -15.373 9.531 -0.229 1.00 0.00 N ATOM 0 H ARG A 41 -10.611 8.668 -1.079 1.00 0.00 H new ATOM 0 HA ARG A 41 -12.229 7.147 -1.113 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -11.279 6.387 -3.900 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -12.861 6.083 -3.211 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -11.913 8.930 -3.372 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -12.407 8.137 -4.854 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -14.399 9.120 -4.079 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -14.554 7.448 -3.577 1.00 0.00 H new ATOM 0 HE ARG A 41 -13.315 8.822 -1.433 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -16.364 8.839 -3.213 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -17.303 9.405 -1.827 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -14.528 9.549 0.342 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -16.268 9.805 0.176 1.00 0.00 H new ATOM 631 N LYS A 42 -10.018 5.559 -0.370 1.00 0.00 N ATOM 632 CA LYS A 42 -9.386 4.341 0.123 1.00 0.00 C ATOM 633 C LYS A 42 -9.372 4.313 1.648 1.00 0.00 C ATOM 634 O LYS A 42 -9.094 5.324 2.294 1.00 0.00 O ATOM 635 CB LYS A 42 -7.956 4.231 -0.413 1.00 0.00 C ATOM 636 CG LYS A 42 -7.885 3.826 -1.875 1.00 0.00 C ATOM 637 CD LYS A 42 -8.282 2.373 -2.072 1.00 0.00 C ATOM 638 CE LYS A 42 -8.492 2.047 -3.543 1.00 0.00 C ATOM 639 NZ LYS A 42 -9.753 2.639 -4.068 1.00 0.00 N ATOM 0 H LYS A 42 -9.768 6.402 0.147 1.00 0.00 H new ATOM 0 HA LYS A 42 -9.968 3.491 -0.233 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -7.454 5.190 -0.285 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -7.408 3.502 0.184 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -8.542 4.466 -2.463 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -6.872 3.981 -2.247 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -7.508 1.724 -1.661 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -9.198 2.167 -1.518 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -7.647 2.420 -4.122 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -8.516 0.965 -3.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -10.421 1.878 -4.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -10.174 3.256 -3.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -9.546 3.196 -4.921 1.00 0.00 H new ATOM 653 N SER A 43 -9.671 3.150 2.217 1.00 0.00 N ATOM 654 CA SER A 43 -9.694 2.993 3.667 1.00 0.00 C ATOM 655 C SER A 43 -8.690 1.935 4.115 1.00 0.00 C ATOM 656 O SER A 43 -8.321 1.049 3.345 1.00 0.00 O ATOM 657 CB SER A 43 -11.099 2.609 4.136 1.00 0.00 C ATOM 658 OG SER A 43 -11.185 2.622 5.551 1.00 0.00 O ATOM 0 H SER A 43 -9.901 2.303 1.697 1.00 0.00 H new ATOM 0 HA SER A 43 -9.415 3.946 4.116 1.00 0.00 H new ATOM 0 HB2 SER A 43 -11.828 3.303 3.718 1.00 0.00 H new ATOM 0 HB3 SER A 43 -11.352 1.617 3.762 1.00 0.00 H new ATOM 0 HG SER A 43 -12.093 2.375 5.826 1.00 0.00 H new ATOM 664 N ALA A 44 -8.252 2.036 5.365 1.00 0.00 N ATOM 665 CA ALA A 44 -7.293 1.088 5.918 1.00 0.00 C ATOM 666 C ALA A 44 -7.547 -0.321 5.392 1.00 0.00 C ATOM 667 O ALA A 44 -6.644 -0.971 4.866 1.00 0.00 O ATOM 668 CB ALA A 44 -7.350 1.104 7.438 1.00 0.00 C ATOM 0 H ALA A 44 -8.546 2.765 6.015 1.00 0.00 H new ATOM 0 HA ALA A 44 -6.296 1.392 5.600 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -6.628 0.391 7.837 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -7.111 2.104 7.801 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -8.352 0.829 7.767 1.00 0.00 H new ATOM 674 N LYS A 45 -8.783 -0.787 5.537 1.00 0.00 N ATOM 675 CA LYS A 45 -9.158 -2.119 5.076 1.00 0.00 C ATOM 676 C LYS A 45 -8.627 -2.377 3.670 1.00 0.00 C ATOM 677 O LYS A 45 -7.999 -3.404 3.413 1.00 0.00 O ATOM 678 CB LYS A 45 -10.679 -2.278 5.096 1.00 0.00 C ATOM 679 CG LYS A 45 -11.151 -3.665 4.694 1.00 0.00 C ATOM 680 CD LYS A 45 -11.043 -4.647 5.848 1.00 0.00 C ATOM 681 CE LYS A 45 -11.099 -6.087 5.362 1.00 0.00 C ATOM 682 NZ LYS A 45 -10.882 -7.056 6.472 1.00 0.00 N ATOM 0 H LYS A 45 -9.542 -0.262 5.970 1.00 0.00 H new ATOM 0 HA LYS A 45 -8.714 -2.849 5.752 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -11.046 -2.055 6.098 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -11.122 -1.544 4.423 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -12.185 -3.614 4.354 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -10.557 -4.023 3.853 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -10.109 -4.479 6.384 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -11.853 -4.469 6.556 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -12.067 -6.276 4.899 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -10.342 -6.240 4.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -10.928 -8.026 6.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -9.948 -6.892 6.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -11.619 -6.927 7.194 1.00 0.00 H new ATOM 696 N GLN A 46 -8.883 -1.438 2.764 1.00 0.00 N ATOM 697 CA GLN A 46 -8.430 -1.566 1.384 1.00 0.00 C ATOM 698 C GLN A 46 -6.909 -1.667 1.317 1.00 0.00 C ATOM 699 O GLN A 46 -6.365 -2.642 0.799 1.00 0.00 O ATOM 700 CB GLN A 46 -8.910 -0.373 0.555 1.00 0.00 C ATOM 701 CG GLN A 46 -10.272 -0.586 -0.085 1.00 0.00 C ATOM 702 CD GLN A 46 -10.395 -1.938 -0.760 1.00 0.00 C ATOM 703 OE1 GLN A 46 -10.766 -2.928 -0.130 1.00 0.00 O ATOM 704 NE2 GLN A 46 -10.083 -1.986 -2.050 1.00 0.00 N ATOM 0 H GLN A 46 -9.401 -0.582 2.961 1.00 0.00 H new ATOM 0 HA GLN A 46 -8.855 -2.481 0.972 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -8.952 0.509 1.194 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -8.179 -0.166 -0.227 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -11.046 -0.493 0.677 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -10.451 0.200 -0.819 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -9.780 -1.140 -2.533 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -10.147 -2.868 -2.558 1.00 0.00 H new ATOM 713 N CYS A 47 -6.230 -0.654 1.845 1.00 0.00 N ATOM 714 CA CYS A 47 -4.772 -0.629 1.844 1.00 0.00 C ATOM 715 C CYS A 47 -4.205 -1.971 2.296 1.00 0.00 C ATOM 716 O CYS A 47 -3.245 -2.479 1.716 1.00 0.00 O ATOM 717 CB CYS A 47 -4.260 0.488 2.754 1.00 0.00 C ATOM 718 SG CYS A 47 -4.607 2.155 2.145 1.00 0.00 S ATOM 0 H CYS A 47 -6.666 0.160 2.279 1.00 0.00 H new ATOM 0 HA CYS A 47 -4.437 -0.439 0.824 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -4.709 0.373 3.741 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -3.183 0.375 2.879 1.00 0.00 H new ATOM 0 HG CYS A 47 -3.677 2.968 2.552 1.00 0.00 H new ATOM 724 N LYS A 48 -4.804 -2.539 3.337 1.00 0.00 N ATOM 725 CA LYS A 48 -4.359 -3.822 3.869 1.00 0.00 C ATOM 726 C LYS A 48 -4.660 -4.952 2.889 1.00 0.00 C ATOM 727 O LYS A 48 -3.813 -5.807 2.634 1.00 0.00 O ATOM 728 CB LYS A 48 -5.037 -4.103 5.212 1.00 0.00 C ATOM 729 CG LYS A 48 -4.265 -5.070 6.093 1.00 0.00 C ATOM 730 CD LYS A 48 -4.499 -4.790 7.567 1.00 0.00 C ATOM 731 CE LYS A 48 -3.781 -5.801 8.448 1.00 0.00 C ATOM 732 NZ LYS A 48 -2.377 -5.393 8.730 1.00 0.00 N ATOM 0 H LYS A 48 -5.599 -2.131 3.829 1.00 0.00 H new ATOM 0 HA LYS A 48 -3.280 -3.771 4.017 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -5.168 -3.162 5.747 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -6.033 -4.507 5.029 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.566 -6.092 5.864 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -3.200 -4.994 5.872 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -4.151 -3.785 7.807 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -5.568 -4.816 7.778 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -4.322 -5.913 9.387 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -3.785 -6.776 7.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -1.737 -6.188 8.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -2.123 -4.584 8.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -2.289 -5.122 9.730 1.00 0.00 H new ATOM 746 N ALA A 49 -5.871 -4.947 2.342 1.00 0.00 N ATOM 747 CA ALA A 49 -6.282 -5.969 1.387 1.00 0.00 C ATOM 748 C ALA A 49 -5.451 -5.894 0.111 1.00 0.00 C ATOM 749 O ALA A 49 -4.697 -6.814 -0.204 1.00 0.00 O ATOM 750 CB ALA A 49 -7.762 -5.825 1.065 1.00 0.00 C ATOM 0 H ALA A 49 -6.585 -4.247 2.544 1.00 0.00 H new ATOM 0 HA ALA A 49 -6.114 -6.945 1.842 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -8.055 -6.594 0.351 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -8.346 -5.936 1.979 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -7.947 -4.841 0.634 1.00 0.00 H new ATOM 756 N ARG A 50 -5.595 -4.793 -0.620 1.00 0.00 N ATOM 757 CA ARG A 50 -4.858 -4.600 -1.863 1.00 0.00 C ATOM 758 C ARG A 50 -3.378 -4.917 -1.673 1.00 0.00 C ATOM 759 O ARG A 50 -2.724 -5.439 -2.576 1.00 0.00 O ATOM 760 CB ARG A 50 -5.023 -3.162 -2.360 1.00 0.00 C ATOM 761 CG ARG A 50 -4.013 -2.767 -3.425 1.00 0.00 C ATOM 762 CD ARG A 50 -4.083 -3.692 -4.630 1.00 0.00 C ATOM 763 NE ARG A 50 -3.659 -3.025 -5.858 1.00 0.00 N ATOM 764 CZ ARG A 50 -4.015 -3.426 -7.073 1.00 0.00 C ATOM 765 NH1 ARG A 50 -4.797 -4.486 -7.222 1.00 0.00 N ATOM 766 NH2 ARG A 50 -3.589 -2.766 -8.142 1.00 0.00 N ATOM 0 H ARG A 50 -6.215 -4.022 -0.373 1.00 0.00 H new ATOM 0 HA ARG A 50 -5.265 -5.284 -2.608 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -6.029 -3.038 -2.761 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -4.931 -2.481 -1.514 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -4.199 -1.741 -3.742 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -3.008 -2.793 -3.003 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -3.452 -4.564 -4.455 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -5.104 -4.056 -4.749 1.00 0.00 H new ATOM 0 HE ARG A 50 -3.056 -2.206 -5.778 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -5.127 -4.996 -6.402 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -5.069 -4.792 -8.156 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -2.987 -1.950 -8.031 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -3.863 -3.075 -9.075 1.00 0.00 H new ATOM 780 N TRP A 51 -2.857 -4.598 -0.494 1.00 0.00 N ATOM 781 CA TRP A 51 -1.453 -4.848 -0.186 1.00 0.00 C ATOM 782 C TRP A 51 -1.186 -6.342 -0.041 1.00 0.00 C ATOM 783 O TRP A 51 -0.530 -6.950 -0.887 1.00 0.00 O ATOM 784 CB TRP A 51 -1.054 -4.119 1.098 1.00 0.00 C ATOM 785 CG TRP A 51 0.228 -4.619 1.691 1.00 0.00 C ATOM 786 CD1 TRP A 51 0.364 -5.492 2.733 1.00 0.00 C ATOM 787 CD2 TRP A 51 1.555 -4.275 1.279 1.00 0.00 C ATOM 788 NE1 TRP A 51 1.696 -5.711 2.992 1.00 0.00 N ATOM 789 CE2 TRP A 51 2.447 -4.976 2.114 1.00 0.00 C ATOM 790 CE3 TRP A 51 2.077 -3.443 0.284 1.00 0.00 C ATOM 791 CZ2 TRP A 51 3.829 -4.870 1.983 1.00 0.00 C ATOM 792 CZ3 TRP A 51 3.449 -3.338 0.156 1.00 0.00 C ATOM 793 CH2 TRP A 51 4.312 -4.048 1.001 1.00 0.00 C ATOM 0 H TRP A 51 -3.385 -4.166 0.264 1.00 0.00 H new ATOM 0 HA TRP A 51 -0.852 -4.469 -1.012 1.00 0.00 H new ATOM 0 HB2 TRP A 51 -0.958 -3.054 0.888 1.00 0.00 H new ATOM 0 HB3 TRP A 51 -1.852 -4.228 1.832 1.00 0.00 H new ATOM 0 HD1 TRP A 51 -0.455 -5.944 3.274 1.00 0.00 H new ATOM 0 HE1 TRP A 51 2.065 -6.322 3.720 1.00 0.00 H new ATOM 0 HE3 TRP A 51 1.420 -2.892 -0.373 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 4.496 -5.417 2.633 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 3.863 -2.698 -0.609 1.00 0.00 H new ATOM 0 HH2 TRP A 51 5.380 -3.945 0.875 1.00 0.00 H new ATOM 804 N TYR A 52 -1.697 -6.928 1.036 1.00 0.00 N ATOM 805 CA TYR A 52 -1.511 -8.352 1.292 1.00 0.00 C ATOM 806 C TYR A 52 -2.063 -9.189 0.143 1.00 0.00 C ATOM 807 O TYR A 52 -1.776 -10.381 0.035 1.00 0.00 O ATOM 808 CB TYR A 52 -2.195 -8.749 2.602 1.00 0.00 C ATOM 809 CG TYR A 52 -1.378 -8.430 3.833 1.00 0.00 C ATOM 810 CD1 TYR A 52 -0.097 -8.942 3.993 1.00 0.00 C ATOM 811 CD2 TYR A 52 -1.887 -7.614 4.836 1.00 0.00 C ATOM 812 CE1 TYR A 52 0.653 -8.653 5.117 1.00 0.00 C ATOM 813 CE2 TYR A 52 -1.144 -7.319 5.963 1.00 0.00 C ATOM 814 CZ TYR A 52 0.125 -7.841 6.099 1.00 0.00 C ATOM 815 OH TYR A 52 0.869 -7.550 7.219 1.00 0.00 O ATOM 0 H TYR A 52 -2.243 -6.440 1.746 1.00 0.00 H new ATOM 0 HA TYR A 52 -0.441 -8.544 1.375 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -3.155 -8.237 2.671 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -2.405 -9.818 2.583 1.00 0.00 H new ATOM 0 HD1 TYR A 52 0.320 -9.577 3.226 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -2.881 -7.203 4.733 1.00 0.00 H new ATOM 0 HE1 TYR A 52 1.647 -9.061 5.226 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -1.555 -6.683 6.733 1.00 0.00 H new ATOM 0 HH TYR A 52 0.353 -6.965 7.812 1.00 0.00 H new ATOM 825 N GLU A 53 -2.857 -8.555 -0.715 1.00 0.00 N ATOM 826 CA GLU A 53 -3.449 -9.241 -1.857 1.00 0.00 C ATOM 827 C GLU A 53 -2.390 -9.567 -2.906 1.00 0.00 C ATOM 828 O GLU A 53 -2.186 -10.729 -3.256 1.00 0.00 O ATOM 829 CB GLU A 53 -4.552 -8.382 -2.480 1.00 0.00 C ATOM 830 CG GLU A 53 -5.926 -8.626 -1.880 1.00 0.00 C ATOM 831 CD GLU A 53 -6.570 -9.898 -2.395 1.00 0.00 C ATOM 832 OE1 GLU A 53 -6.596 -10.094 -3.628 1.00 0.00 O ATOM 833 OE2 GLU A 53 -7.049 -10.699 -1.564 1.00 0.00 O ATOM 0 H GLU A 53 -3.105 -7.568 -0.641 1.00 0.00 H new ATOM 0 HA GLU A 53 -3.883 -10.176 -1.501 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -4.294 -7.330 -2.359 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -4.593 -8.579 -3.551 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -5.840 -8.680 -0.795 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -6.573 -7.778 -2.106 1.00 0.00 H new ATOM 840 N TRP A 54 -1.720 -8.533 -3.402 1.00 0.00 N ATOM 841 CA TRP A 54 -0.681 -8.710 -4.411 1.00 0.00 C ATOM 842 C TRP A 54 0.640 -8.108 -3.943 1.00 0.00 C ATOM 843 O TRP A 54 1.705 -8.694 -4.144 1.00 0.00 O ATOM 844 CB TRP A 54 -1.110 -8.066 -5.731 1.00 0.00 C ATOM 845 CG TRP A 54 -2.593 -8.077 -5.943 1.00 0.00 C ATOM 846 CD1 TRP A 54 -3.427 -6.995 -5.955 1.00 0.00 C ATOM 847 CD2 TRP A 54 -3.419 -9.224 -6.171 1.00 0.00 C ATOM 848 NE1 TRP A 54 -4.721 -7.401 -6.177 1.00 0.00 N ATOM 849 CE2 TRP A 54 -4.742 -8.764 -6.313 1.00 0.00 C ATOM 850 CE3 TRP A 54 -3.168 -10.595 -6.271 1.00 0.00 C ATOM 851 CZ2 TRP A 54 -5.809 -9.627 -6.549 1.00 0.00 C ATOM 852 CZ3 TRP A 54 -4.228 -11.451 -6.504 1.00 0.00 C ATOM 853 CH2 TRP A 54 -5.535 -10.965 -6.642 1.00 0.00 C ATOM 0 H TRP A 54 -1.877 -7.565 -3.123 1.00 0.00 H new ATOM 0 HA TRP A 54 -0.537 -9.779 -4.566 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -0.754 -7.036 -5.757 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -0.628 -8.591 -6.556 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -3.115 -5.971 -5.811 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -5.534 -6.787 -6.232 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -2.164 -10.979 -6.168 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -6.817 -9.254 -6.655 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -4.046 -12.513 -6.581 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -6.342 -11.659 -6.825 1.00 0.00 H new ATOM 864 N LEU A 55 0.564 -6.938 -3.320 1.00 0.00 N ATOM 865 CA LEU A 55 1.755 -6.258 -2.823 1.00 0.00 C ATOM 866 C LEU A 55 2.142 -6.776 -1.442 1.00 0.00 C ATOM 867 O LEU A 55 1.723 -6.228 -0.422 1.00 0.00 O ATOM 868 CB LEU A 55 1.517 -4.748 -2.765 1.00 0.00 C ATOM 869 CG LEU A 55 0.538 -4.183 -3.796 1.00 0.00 C ATOM 870 CD1 LEU A 55 0.482 -2.666 -3.703 1.00 0.00 C ATOM 871 CD2 LEU A 55 0.932 -4.619 -5.200 1.00 0.00 C ATOM 0 H LEU A 55 -0.309 -6.440 -3.147 1.00 0.00 H new ATOM 0 HA LEU A 55 2.575 -6.465 -3.511 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.151 -4.496 -1.770 1.00 0.00 H new ATOM 0 HB3 LEU A 55 2.476 -4.244 -2.889 1.00 0.00 H new ATOM 0 HG LEU A 55 -0.455 -4.577 -3.580 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -0.219 -2.282 -4.444 1.00 0.00 H new ATOM 0 HD12 LEU A 55 0.152 -2.375 -2.706 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.473 -2.253 -3.893 1.00 0.00 H new ATOM 0 HD21 LEU A 55 0.225 -4.208 -5.920 1.00 0.00 H new ATOM 0 HD22 LEU A 55 1.934 -4.254 -5.427 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.920 -5.707 -5.260 1.00 0.00 H new ATOM 883 N ASP A 56 2.945 -7.833 -1.416 1.00 0.00 N ATOM 884 CA ASP A 56 3.392 -8.424 -0.160 1.00 0.00 C ATOM 885 C ASP A 56 4.399 -9.542 -0.413 1.00 0.00 C ATOM 886 O ASP A 56 4.259 -10.339 -1.340 1.00 0.00 O ATOM 887 CB ASP A 56 2.198 -8.966 0.627 1.00 0.00 C ATOM 888 CG ASP A 56 2.511 -9.154 2.098 1.00 0.00 C ATOM 889 OD1 ASP A 56 2.720 -8.139 2.796 1.00 0.00 O ATOM 890 OD2 ASP A 56 2.546 -10.317 2.553 1.00 0.00 O ATOM 0 H ASP A 56 3.300 -8.299 -2.251 1.00 0.00 H new ATOM 0 HA ASP A 56 3.880 -7.645 0.426 1.00 0.00 H new ATOM 0 HB2 ASP A 56 1.357 -8.281 0.522 1.00 0.00 H new ATOM 0 HB3 ASP A 56 1.888 -9.920 0.200 1.00 0.00 H new ATOM 895 N PRO A 57 5.441 -9.602 0.431 1.00 0.00 N ATOM 896 CA PRO A 57 6.492 -10.617 0.319 1.00 0.00 C ATOM 897 C PRO A 57 5.993 -12.012 0.680 1.00 0.00 C ATOM 898 O PRO A 57 6.239 -12.977 -0.043 1.00 0.00 O ATOM 899 CB PRO A 57 7.546 -10.149 1.325 1.00 0.00 C ATOM 900 CG PRO A 57 6.786 -9.344 2.322 1.00 0.00 C ATOM 901 CD PRO A 57 5.671 -8.684 1.559 1.00 0.00 C ATOM 0 HA PRO A 57 6.866 -10.705 -0.701 1.00 0.00 H new ATOM 0 HB2 PRO A 57 8.046 -10.995 1.797 1.00 0.00 H new ATOM 0 HB3 PRO A 57 8.319 -9.552 0.840 1.00 0.00 H new ATOM 0 HG2 PRO A 57 6.393 -9.978 3.117 1.00 0.00 H new ATOM 0 HG3 PRO A 57 7.428 -8.601 2.795 1.00 0.00 H new ATOM 0 HD2 PRO A 57 4.777 -8.569 2.172 1.00 0.00 H new ATOM 0 HD3 PRO A 57 5.953 -7.688 1.216 1.00 0.00 H new