USER MOD reduce.3.24.130724 H: found=0, std=0, add=441, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 442 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 11 THR OG1 : rot 33:sc= 0.133 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot -28:sc= 0.463 USER MOD Single : A 17 ASN : amide:sc= -0.916 K(o=-0.92,f=-1.6) USER MOD Single : A 24 ASN : amide:sc= -0.16 K(o=-0.16,f=-2.3!) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= -2.27! C(o=-2.3!,f=-11!) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.00844) USER MOD Single : A 43 HIS : no HD1:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot -31:sc= 0.391 USER MOD Single : A 51 THR OG1 : rot 180:sc=-0.00796 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 108 N THR A 11 1.381 2.766 0.212 1.00 0.00 N ATOM 109 CA THR A 11 1.413 2.015 -1.036 1.00 0.00 C ATOM 110 C THR A 11 1.975 0.614 -0.820 1.00 0.00 C ATOM 111 O THR A 11 1.380 -0.376 -1.245 1.00 0.00 O ATOM 112 CB THR A 11 2.257 2.735 -2.104 1.00 0.00 C ATOM 113 OG1 THR A 11 1.796 4.081 -2.267 1.00 0.00 O ATOM 114 CG2 THR A 11 2.183 2.004 -3.436 1.00 0.00 C ATOM 0 HA THR A 11 0.384 1.941 -1.387 1.00 0.00 H new ATOM 0 HB THR A 11 3.294 2.744 -1.770 1.00 0.00 H new ATOM 0 HG1 THR A 11 1.470 4.421 -1.408 1.00 0.00 H new ATOM 0 HG21 THR A 11 2.787 2.531 -4.174 1.00 0.00 H new ATOM 0 HG22 THR A 11 2.562 0.989 -3.316 1.00 0.00 H new ATOM 0 HG23 THR A 11 1.147 1.967 -3.774 1.00 0.00 H new ATOM 122 N ASP A 12 3.123 0.539 -0.155 1.00 0.00 N ATOM 123 CA ASP A 12 3.765 -0.742 0.119 1.00 0.00 C ATOM 124 C ASP A 12 3.137 -1.415 1.336 1.00 0.00 C ATOM 125 O ASP A 12 2.638 -2.537 1.250 1.00 0.00 O ATOM 126 CB ASP A 12 5.265 -0.547 0.346 1.00 0.00 C ATOM 127 CG ASP A 12 5.884 0.401 -0.662 1.00 0.00 C ATOM 128 OD1 ASP A 12 5.954 0.037 -1.855 1.00 0.00 O ATOM 129 OD2 ASP A 12 6.298 1.508 -0.259 1.00 0.00 O ATOM 0 H ASP A 12 3.628 1.349 0.204 1.00 0.00 H new ATOM 0 HA ASP A 12 3.618 -1.387 -0.747 1.00 0.00 H new ATOM 0 HB2 ASP A 12 5.430 -0.162 1.352 1.00 0.00 H new ATOM 0 HB3 ASP A 12 5.767 -1.513 0.288 1.00 0.00 H new ATOM 134 N LYS A 13 3.166 -0.722 2.469 1.00 0.00 N ATOM 135 CA LYS A 13 2.600 -1.251 3.704 1.00 0.00 C ATOM 136 C LYS A 13 1.265 -1.939 3.440 1.00 0.00 C ATOM 137 O LYS A 13 1.063 -3.091 3.823 1.00 0.00 O ATOM 138 CB LYS A 13 2.414 -0.127 4.726 1.00 0.00 C ATOM 139 CG LYS A 13 2.347 -0.616 6.163 1.00 0.00 C ATOM 140 CD LYS A 13 1.883 0.483 7.105 1.00 0.00 C ATOM 141 CE LYS A 13 0.374 0.663 7.050 1.00 0.00 C ATOM 142 NZ LYS A 13 -0.076 1.828 7.860 1.00 0.00 N ATOM 0 H LYS A 13 3.576 0.208 2.558 1.00 0.00 H new ATOM 0 HA LYS A 13 3.295 -1.988 4.106 1.00 0.00 H new ATOM 0 HB2 LYS A 13 3.238 0.580 4.630 1.00 0.00 H new ATOM 0 HB3 LYS A 13 1.498 0.417 4.493 1.00 0.00 H new ATOM 0 HG2 LYS A 13 1.665 -1.464 6.228 1.00 0.00 H new ATOM 0 HG3 LYS A 13 3.329 -0.972 6.473 1.00 0.00 H new ATOM 0 HD2 LYS A 13 2.185 0.242 8.124 1.00 0.00 H new ATOM 0 HD3 LYS A 13 2.372 1.421 6.841 1.00 0.00 H new ATOM 0 HE2 LYS A 13 0.062 0.799 6.014 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -0.113 -0.242 7.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -1.110 1.916 7.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 0.199 1.687 8.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 0.369 2.695 7.497 1.00 0.00 H new ATOM 156 N ALA A 14 0.356 -1.225 2.783 1.00 0.00 N ATOM 157 CA ALA A 14 -0.958 -1.769 2.465 1.00 0.00 C ATOM 158 C ALA A 14 -0.841 -3.002 1.575 1.00 0.00 C ATOM 159 O ALA A 14 -1.566 -3.982 1.755 1.00 0.00 O ATOM 160 CB ALA A 14 -1.819 -0.710 1.792 1.00 0.00 C ATOM 0 H ALA A 14 0.506 -0.269 2.461 1.00 0.00 H new ATOM 0 HA ALA A 14 -1.435 -2.070 3.398 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -2.798 -1.130 1.560 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -1.939 0.141 2.462 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -1.338 -0.381 0.871 1.00 0.00 H new ATOM 166 N LEU A 15 0.074 -2.947 0.614 1.00 0.00 N ATOM 167 CA LEU A 15 0.285 -4.060 -0.306 1.00 0.00 C ATOM 168 C LEU A 15 0.693 -5.321 0.450 1.00 0.00 C ATOM 169 O LEU A 15 0.104 -6.386 0.264 1.00 0.00 O ATOM 170 CB LEU A 15 1.357 -3.700 -1.336 1.00 0.00 C ATOM 171 CG LEU A 15 0.859 -3.031 -2.617 1.00 0.00 C ATOM 172 CD1 LEU A 15 0.527 -4.077 -3.671 1.00 0.00 C ATOM 173 CD2 LEU A 15 -0.354 -2.160 -2.327 1.00 0.00 C ATOM 0 H LEU A 15 0.682 -2.144 0.451 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.655 -4.256 -0.822 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.080 -3.037 -0.861 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.890 -4.611 -1.609 1.00 0.00 H new ATOM 0 HG LEU A 15 1.654 -2.394 -3.004 1.00 0.00 H new ATOM 0 HD11 LEU A 15 0.174 -3.582 -4.576 1.00 0.00 H new ATOM 0 HD12 LEU A 15 1.420 -4.659 -3.900 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.251 -4.740 -3.293 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.695 -1.692 -3.250 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.154 -2.776 -1.916 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.084 -1.388 -1.607 1.00 0.00 H new ATOM 185 N TYR A 16 1.702 -5.192 1.304 1.00 0.00 N ATOM 186 CA TYR A 16 2.188 -6.321 2.088 1.00 0.00 C ATOM 187 C TYR A 16 1.098 -6.852 3.014 1.00 0.00 C ATOM 188 O TYR A 16 0.800 -8.045 3.020 1.00 0.00 O ATOM 189 CB TYR A 16 3.413 -5.910 2.907 1.00 0.00 C ATOM 190 CG TYR A 16 4.112 -7.072 3.576 1.00 0.00 C ATOM 191 CD1 TYR A 16 4.350 -8.255 2.887 1.00 0.00 C ATOM 192 CD2 TYR A 16 4.532 -6.988 4.898 1.00 0.00 C ATOM 193 CE1 TYR A 16 4.988 -9.319 3.495 1.00 0.00 C ATOM 194 CE2 TYR A 16 5.171 -8.047 5.513 1.00 0.00 C ATOM 195 CZ TYR A 16 5.397 -9.210 4.808 1.00 0.00 C ATOM 196 OH TYR A 16 6.032 -10.268 5.417 1.00 0.00 O ATOM 0 H TYR A 16 2.199 -4.317 1.471 1.00 0.00 H new ATOM 0 HA TYR A 16 2.470 -7.115 1.397 1.00 0.00 H new ATOM 0 HB2 TYR A 16 4.121 -5.398 2.255 1.00 0.00 H new ATOM 0 HB3 TYR A 16 3.106 -5.194 3.669 1.00 0.00 H new ATOM 0 HD1 TYR A 16 4.031 -8.344 1.859 1.00 0.00 H new ATOM 0 HD2 TYR A 16 4.356 -6.079 5.454 1.00 0.00 H new ATOM 0 HE1 TYR A 16 5.166 -10.231 2.945 1.00 0.00 H new ATOM 0 HE2 TYR A 16 5.492 -7.964 6.541 1.00 0.00 H new ATOM 0 HH TYR A 16 5.736 -11.107 5.007 1.00 0.00 H new ATOM 206 N ASN A 17 0.506 -5.954 3.795 1.00 0.00 N ATOM 207 CA ASN A 17 -0.552 -6.330 4.726 1.00 0.00 C ATOM 208 C ASN A 17 -1.611 -7.179 4.031 1.00 0.00 C ATOM 209 O ASN A 17 -2.114 -8.150 4.598 1.00 0.00 O ATOM 210 CB ASN A 17 -1.198 -5.081 5.329 1.00 0.00 C ATOM 211 CG ASN A 17 -0.209 -4.240 6.113 1.00 0.00 C ATOM 212 OD1 ASN A 17 0.874 -4.705 6.469 1.00 0.00 O ATOM 213 ND2 ASN A 17 -0.578 -2.994 6.386 1.00 0.00 N ATOM 0 H ASN A 17 0.741 -4.961 3.802 1.00 0.00 H new ATOM 0 HA ASN A 17 -0.105 -6.921 5.525 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -1.631 -4.478 4.531 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -2.017 -5.379 5.984 1.00 0.00 H new ATOM 0 HD21 ASN A 17 0.046 -2.381 6.910 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -1.485 -2.650 6.071 1.00 0.00 H new ATOM 220 N ARG A 18 -1.946 -6.807 2.800 1.00 0.00 N ATOM 221 CA ARG A 18 -2.946 -7.534 2.027 1.00 0.00 C ATOM 222 C ARG A 18 -2.366 -8.831 1.470 1.00 0.00 C ATOM 223 O ARG A 18 -2.990 -9.890 1.555 1.00 0.00 O ATOM 224 CB ARG A 18 -3.468 -6.664 0.882 1.00 0.00 C ATOM 225 CG ARG A 18 -4.451 -7.381 -0.029 1.00 0.00 C ATOM 226 CD ARG A 18 -4.486 -6.754 -1.414 1.00 0.00 C ATOM 227 NE ARG A 18 -5.229 -7.575 -2.367 1.00 0.00 N ATOM 228 CZ ARG A 18 -6.555 -7.645 -2.399 1.00 0.00 C ATOM 229 NH1 ARG A 18 -7.280 -6.947 -1.536 1.00 0.00 N ATOM 230 NH2 ARG A 18 -7.158 -8.414 -3.296 1.00 0.00 N ATOM 0 H ARG A 18 -1.540 -6.006 2.316 1.00 0.00 H new ATOM 0 HA ARG A 18 -3.773 -7.782 2.693 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -3.951 -5.780 1.299 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -2.623 -6.315 0.288 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -4.173 -8.432 -0.111 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -5.447 -7.348 0.412 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -4.942 -5.766 -1.353 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -3.467 -6.613 -1.774 1.00 0.00 H new ATOM 0 HE ARG A 18 -4.701 -8.124 -3.045 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -6.820 -6.354 -0.845 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -8.298 -7.003 -1.563 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -6.603 -8.952 -3.962 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -8.176 -8.467 -3.320 1.00 0.00 H new ATOM 244 N LEU A 19 -1.169 -8.741 0.900 1.00 0.00 N ATOM 245 CA LEU A 19 -0.505 -9.907 0.328 1.00 0.00 C ATOM 246 C LEU A 19 -0.577 -11.096 1.280 1.00 0.00 C ATOM 247 O LEU A 19 -0.965 -12.197 0.887 1.00 0.00 O ATOM 248 CB LEU A 19 0.956 -9.581 0.011 1.00 0.00 C ATOM 249 CG LEU A 19 1.216 -8.909 -1.338 1.00 0.00 C ATOM 250 CD1 LEU A 19 2.455 -8.030 -1.266 1.00 0.00 C ATOM 251 CD2 LEU A 19 1.365 -9.954 -2.434 1.00 0.00 C ATOM 0 H LEU A 19 -0.639 -7.873 0.822 1.00 0.00 H new ATOM 0 HA LEU A 19 -1.021 -10.172 -0.595 1.00 0.00 H new ATOM 0 HB2 LEU A 19 1.342 -8.933 0.798 1.00 0.00 H new ATOM 0 HB3 LEU A 19 1.531 -10.506 0.050 1.00 0.00 H new ATOM 0 HG LEU A 19 0.361 -8.278 -1.579 1.00 0.00 H new ATOM 0 HD11 LEU A 19 2.624 -7.560 -2.235 1.00 0.00 H new ATOM 0 HD12 LEU A 19 2.311 -7.259 -0.509 1.00 0.00 H new ATOM 0 HD13 LEU A 19 3.319 -8.640 -1.003 1.00 0.00 H new ATOM 0 HD21 LEU A 19 1.549 -9.458 -3.387 1.00 0.00 H new ATOM 0 HD22 LEU A 19 2.202 -10.611 -2.199 1.00 0.00 H new ATOM 0 HD23 LEU A 19 0.450 -10.543 -2.502 1.00 0.00 H new ATOM 263 N VAL A 20 -0.203 -10.867 2.535 1.00 0.00 N ATOM 264 CA VAL A 20 -0.229 -11.919 3.544 1.00 0.00 C ATOM 265 C VAL A 20 -1.354 -11.690 4.547 1.00 0.00 C ATOM 266 O VAL A 20 -1.148 -11.159 5.639 1.00 0.00 O ATOM 267 CB VAL A 20 1.110 -12.003 4.302 1.00 0.00 C ATOM 268 CG1 VAL A 20 1.238 -13.341 5.013 1.00 0.00 C ATOM 269 CG2 VAL A 20 2.275 -11.782 3.349 1.00 0.00 C ATOM 0 H VAL A 20 0.121 -9.962 2.877 1.00 0.00 H new ATOM 0 HA VAL A 20 -0.400 -12.858 3.018 1.00 0.00 H new ATOM 0 HB VAL A 20 1.132 -11.216 5.055 1.00 0.00 H new ATOM 0 HG11 VAL A 20 2.190 -13.382 5.543 1.00 0.00 H new ATOM 0 HG12 VAL A 20 0.421 -13.454 5.726 1.00 0.00 H new ATOM 0 HG13 VAL A 20 1.195 -14.148 4.281 1.00 0.00 H new ATOM 0 HG21 VAL A 20 3.213 -11.845 3.900 1.00 0.00 H new ATOM 0 HG22 VAL A 20 2.259 -12.546 2.572 1.00 0.00 H new ATOM 0 HG23 VAL A 20 2.188 -10.797 2.891 1.00 0.00 H new ATOM 279 N PRO A 21 -2.574 -12.101 4.171 1.00 0.00 N ATOM 280 CA PRO A 21 -3.757 -11.953 5.024 1.00 0.00 C ATOM 281 C PRO A 21 -3.715 -12.873 6.239 1.00 0.00 C ATOM 282 O PRO A 21 -3.139 -13.961 6.187 1.00 0.00 O ATOM 283 CB PRO A 21 -4.913 -12.342 4.098 1.00 0.00 C ATOM 284 CG PRO A 21 -4.297 -13.241 3.082 1.00 0.00 C ATOM 285 CD PRO A 21 -2.893 -12.743 2.884 1.00 0.00 C ATOM 0 HA PRO A 21 -3.841 -10.946 5.433 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -5.706 -12.849 4.647 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -5.359 -11.464 3.631 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -4.299 -14.276 3.424 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -4.856 -13.214 2.147 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -2.205 -13.558 2.660 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -2.830 -12.037 2.056 1.00 0.00 H new ATOM 293 N LEU A 22 -4.328 -12.432 7.331 1.00 0.00 N ATOM 294 CA LEU A 22 -4.361 -13.216 8.561 1.00 0.00 C ATOM 295 C LEU A 22 -5.796 -13.430 9.032 1.00 0.00 C ATOM 296 O LEU A 22 -6.413 -12.530 9.602 1.00 0.00 O ATOM 297 CB LEU A 22 -3.551 -12.520 9.655 1.00 0.00 C ATOM 298 CG LEU A 22 -3.043 -13.415 10.786 1.00 0.00 C ATOM 299 CD1 LEU A 22 -4.119 -13.601 11.844 1.00 0.00 C ATOM 300 CD2 LEU A 22 -2.592 -14.762 10.239 1.00 0.00 C ATOM 0 H LEU A 22 -4.810 -11.535 7.390 1.00 0.00 H new ATOM 0 HA LEU A 22 -3.917 -14.190 8.354 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -2.693 -12.034 9.190 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -4.167 -11.733 10.090 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.186 -12.928 11.251 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -3.739 -14.241 12.641 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -4.394 -12.631 12.258 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -4.996 -14.065 11.393 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -2.234 -15.386 11.058 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -3.431 -15.255 9.748 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -1.788 -14.611 9.519 1.00 0.00 H new ATOM 312 N VAL A 23 -6.320 -14.627 8.792 1.00 0.00 N ATOM 313 CA VAL A 23 -7.681 -14.960 9.195 1.00 0.00 C ATOM 314 C VAL A 23 -7.723 -16.287 9.946 1.00 0.00 C ATOM 315 O VAL A 23 -8.560 -16.488 10.825 1.00 0.00 O ATOM 316 CB VAL A 23 -8.623 -15.042 7.979 1.00 0.00 C ATOM 317 CG1 VAL A 23 -8.834 -13.663 7.373 1.00 0.00 C ATOM 318 CG2 VAL A 23 -8.071 -16.009 6.942 1.00 0.00 C ATOM 0 H VAL A 23 -5.823 -15.383 8.320 1.00 0.00 H new ATOM 0 HA VAL A 23 -8.020 -14.161 9.855 1.00 0.00 H new ATOM 0 HB VAL A 23 -9.590 -15.417 8.315 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -9.502 -13.741 6.515 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -9.276 -13.002 8.118 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -7.875 -13.257 7.050 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -8.749 -16.055 6.090 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -7.092 -15.665 6.609 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -7.976 -17.001 7.384 1.00 0.00 H new ATOM 328 N ASN A 24 -6.813 -17.189 9.593 1.00 0.00 N ATOM 329 CA ASN A 24 -6.746 -18.497 10.234 1.00 0.00 C ATOM 330 C ASN A 24 -5.971 -18.421 11.546 1.00 0.00 C ATOM 331 O ASN A 24 -5.943 -19.377 12.319 1.00 0.00 O ATOM 332 CB ASN A 24 -6.088 -19.513 9.299 1.00 0.00 C ATOM 333 CG ASN A 24 -7.088 -20.184 8.377 1.00 0.00 C ATOM 334 OD1 ASN A 24 -8.299 -20.088 8.582 1.00 0.00 O ATOM 335 ND2 ASN A 24 -6.586 -20.868 7.356 1.00 0.00 N ATOM 0 H ASN A 24 -6.112 -17.038 8.867 1.00 0.00 H new ATOM 0 HA ASN A 24 -7.764 -18.819 10.452 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -5.326 -19.012 8.701 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -5.579 -20.272 9.893 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -7.210 -21.341 6.703 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -5.576 -20.921 7.225 1.00 0.00 H new ATOM 342 N GLY A 25 -5.343 -17.275 11.791 1.00 0.00 N ATOM 343 CA GLY A 25 -4.576 -17.094 13.010 1.00 0.00 C ATOM 344 C GLY A 25 -3.100 -17.378 12.814 1.00 0.00 C ATOM 345 O GLY A 25 -2.351 -17.502 13.783 1.00 0.00 O ATOM 0 H GLY A 25 -5.352 -16.468 11.167 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -4.702 -16.072 13.366 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -4.970 -17.752 13.784 1.00 0.00 H new ATOM 349 N VAL A 26 -2.681 -17.482 11.557 1.00 0.00 N ATOM 350 CA VAL A 26 -1.285 -17.754 11.237 1.00 0.00 C ATOM 351 C VAL A 26 -0.876 -17.071 9.937 1.00 0.00 C ATOM 352 O VAL A 26 -1.276 -17.491 8.851 1.00 0.00 O ATOM 353 CB VAL A 26 -1.021 -19.267 11.114 1.00 0.00 C ATOM 354 CG1 VAL A 26 0.473 -19.547 11.076 1.00 0.00 C ATOM 355 CG2 VAL A 26 -1.683 -20.017 12.260 1.00 0.00 C ATOM 0 H VAL A 26 -3.288 -17.382 10.744 1.00 0.00 H new ATOM 0 HA VAL A 26 -0.689 -17.354 12.058 1.00 0.00 H new ATOM 0 HB VAL A 26 -1.456 -19.620 10.179 1.00 0.00 H new ATOM 0 HG11 VAL A 26 0.640 -20.621 10.989 1.00 0.00 H new ATOM 0 HG12 VAL A 26 0.916 -19.040 10.219 1.00 0.00 H new ATOM 0 HG13 VAL A 26 0.935 -19.181 11.993 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -1.487 -21.084 12.158 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -1.279 -19.663 13.208 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -2.759 -19.842 12.236 1.00 0.00 H new ATOM 365 N ARG A 27 -0.075 -16.017 10.055 1.00 0.00 N ATOM 366 CA ARG A 27 0.388 -15.275 8.889 1.00 0.00 C ATOM 367 C ARG A 27 1.487 -16.041 8.158 1.00 0.00 C ATOM 368 O ARG A 27 2.572 -16.252 8.697 1.00 0.00 O ATOM 369 CB ARG A 27 0.904 -13.896 9.307 1.00 0.00 C ATOM 370 CG ARG A 27 -0.053 -13.136 10.211 1.00 0.00 C ATOM 371 CD ARG A 27 0.538 -11.808 10.657 1.00 0.00 C ATOM 372 NE ARG A 27 -0.353 -11.088 11.562 1.00 0.00 N ATOM 373 CZ ARG A 27 -0.296 -9.776 11.761 1.00 0.00 C ATOM 374 NH1 ARG A 27 0.605 -9.044 11.121 1.00 0.00 N ATOM 375 NH2 ARG A 27 -1.142 -9.194 12.602 1.00 0.00 N ATOM 0 H ARG A 27 0.267 -15.658 10.946 1.00 0.00 H new ATOM 0 HA ARG A 27 -0.456 -15.149 8.211 1.00 0.00 H new ATOM 0 HB2 ARG A 27 1.858 -14.015 9.820 1.00 0.00 H new ATOM 0 HB3 ARG A 27 1.095 -13.302 8.413 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -0.990 -12.959 9.684 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -0.288 -13.743 11.085 1.00 0.00 H new ATOM 0 HD2 ARG A 27 1.493 -11.984 11.153 1.00 0.00 H new ATOM 0 HD3 ARG A 27 0.742 -11.190 9.782 1.00 0.00 H new ATOM 0 HE ARG A 27 -1.058 -11.622 12.070 1.00 0.00 H new ATOM 0 HH11 ARG A 27 1.257 -9.488 10.474 1.00 0.00 H new ATOM 0 HH12 ARG A 27 0.647 -8.037 11.276 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -1.837 -9.754 13.096 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -1.098 -8.186 12.754 1.00 0.00 H new ATOM 389 N GLU A 28 1.195 -16.454 6.929 1.00 0.00 N ATOM 390 CA GLU A 28 2.159 -17.198 6.125 1.00 0.00 C ATOM 391 C GLU A 28 1.987 -16.884 4.642 1.00 0.00 C ATOM 392 O GLU A 28 0.870 -16.692 4.161 1.00 0.00 O ATOM 393 CB GLU A 28 2.000 -18.701 6.361 1.00 0.00 C ATOM 394 CG GLU A 28 2.607 -19.179 7.670 1.00 0.00 C ATOM 395 CD GLU A 28 2.799 -20.683 7.709 1.00 0.00 C ATOM 396 OE1 GLU A 28 3.193 -21.259 6.674 1.00 0.00 O ATOM 397 OE2 GLU A 28 2.553 -21.284 8.776 1.00 0.00 O ATOM 0 H GLU A 28 0.300 -16.287 6.468 1.00 0.00 H new ATOM 0 HA GLU A 28 3.160 -16.893 6.430 1.00 0.00 H new ATOM 0 HB2 GLU A 28 0.939 -18.952 6.349 1.00 0.00 H new ATOM 0 HB3 GLU A 28 2.465 -19.241 5.536 1.00 0.00 H new ATOM 0 HG2 GLU A 28 3.569 -18.690 7.820 1.00 0.00 H new ATOM 0 HG3 GLU A 28 1.963 -18.877 8.496 1.00 0.00 H new ATOM 404 N PHE A 29 3.103 -16.832 3.921 1.00 0.00 N ATOM 405 CA PHE A 29 3.077 -16.540 2.493 1.00 0.00 C ATOM 406 C PHE A 29 2.413 -17.673 1.718 1.00 0.00 C ATOM 407 O PHE A 29 2.128 -18.735 2.272 1.00 0.00 O ATOM 408 CB PHE A 29 4.498 -16.315 1.972 1.00 0.00 C ATOM 409 CG PHE A 29 5.107 -15.021 2.430 1.00 0.00 C ATOM 410 CD1 PHE A 29 4.856 -13.841 1.749 1.00 0.00 C ATOM 411 CD2 PHE A 29 5.932 -14.984 3.543 1.00 0.00 C ATOM 412 CE1 PHE A 29 5.414 -12.649 2.168 1.00 0.00 C ATOM 413 CE2 PHE A 29 6.493 -13.795 3.968 1.00 0.00 C ATOM 414 CZ PHE A 29 6.235 -12.626 3.279 1.00 0.00 C ATOM 0 H PHE A 29 4.036 -16.988 4.303 1.00 0.00 H new ATOM 0 HA PHE A 29 2.494 -15.631 2.344 1.00 0.00 H new ATOM 0 HB2 PHE A 29 5.131 -17.140 2.298 1.00 0.00 H new ATOM 0 HB3 PHE A 29 4.484 -16.335 0.882 1.00 0.00 H new ATOM 0 HD1 PHE A 29 4.216 -13.853 0.879 1.00 0.00 H new ATOM 0 HD2 PHE A 29 6.139 -15.895 4.084 1.00 0.00 H new ATOM 0 HE1 PHE A 29 5.209 -11.736 1.628 1.00 0.00 H new ATOM 0 HE2 PHE A 29 7.133 -13.780 4.838 1.00 0.00 H new ATOM 0 HZ PHE A 29 6.674 -11.696 3.608 1.00 0.00 H new ATOM 424 N SER A 30 2.168 -17.439 0.432 1.00 0.00 N ATOM 425 CA SER A 30 1.532 -18.438 -0.419 1.00 0.00 C ATOM 426 C SER A 30 2.558 -19.108 -1.329 1.00 0.00 C ATOM 427 O SER A 30 3.682 -18.629 -1.471 1.00 0.00 O ATOM 428 CB SER A 30 0.430 -17.794 -1.262 1.00 0.00 C ATOM 429 OG SER A 30 -0.531 -18.754 -1.665 1.00 0.00 O ATOM 0 H SER A 30 2.400 -16.567 -0.043 1.00 0.00 H new ATOM 0 HA SER A 30 1.090 -19.199 0.224 1.00 0.00 H new ATOM 0 HB2 SER A 30 -0.057 -17.006 -0.688 1.00 0.00 H new ATOM 0 HB3 SER A 30 0.869 -17.323 -2.142 1.00 0.00 H new ATOM 0 HG SER A 30 -1.225 -18.317 -2.201 1.00 0.00 H new ATOM 435 N GLU A 31 2.160 -20.218 -1.942 1.00 0.00 N ATOM 436 CA GLU A 31 3.044 -20.954 -2.838 1.00 0.00 C ATOM 437 C GLU A 31 3.686 -20.019 -3.859 1.00 0.00 C ATOM 438 O GLU A 31 4.907 -19.995 -4.012 1.00 0.00 O ATOM 439 CB GLU A 31 2.271 -22.061 -3.558 1.00 0.00 C ATOM 440 CG GLU A 31 3.004 -22.632 -4.761 1.00 0.00 C ATOM 441 CD GLU A 31 2.671 -24.090 -5.008 1.00 0.00 C ATOM 442 OE1 GLU A 31 3.008 -24.929 -4.147 1.00 0.00 O ATOM 443 OE2 GLU A 31 2.074 -24.393 -6.062 1.00 0.00 O ATOM 0 H GLU A 31 1.232 -20.627 -1.835 1.00 0.00 H new ATOM 0 HA GLU A 31 3.834 -21.405 -2.237 1.00 0.00 H new ATOM 0 HB2 GLU A 31 2.065 -22.866 -2.853 1.00 0.00 H new ATOM 0 HB3 GLU A 31 1.308 -21.668 -3.883 1.00 0.00 H new ATOM 0 HG2 GLU A 31 2.750 -22.050 -5.647 1.00 0.00 H new ATOM 0 HG3 GLU A 31 4.079 -22.529 -4.610 1.00 0.00 H new ATOM 450 N ILE A 32 2.853 -19.251 -4.554 1.00 0.00 N ATOM 451 CA ILE A 32 3.339 -18.315 -5.559 1.00 0.00 C ATOM 452 C ILE A 32 4.266 -17.275 -4.940 1.00 0.00 C ATOM 453 O ILE A 32 5.326 -16.970 -5.486 1.00 0.00 O ATOM 454 CB ILE A 32 2.175 -17.593 -6.265 1.00 0.00 C ATOM 455 CG1 ILE A 32 1.273 -18.606 -6.972 1.00 0.00 C ATOM 456 CG2 ILE A 32 2.710 -16.569 -7.255 1.00 0.00 C ATOM 457 CD1 ILE A 32 2.032 -19.737 -7.629 1.00 0.00 C ATOM 0 H ILE A 32 1.840 -19.259 -4.439 1.00 0.00 H new ATOM 0 HA ILE A 32 3.893 -18.900 -6.293 1.00 0.00 H new ATOM 0 HB ILE A 32 1.583 -17.069 -5.515 1.00 0.00 H new ATOM 0 HG12 ILE A 32 0.571 -19.022 -6.249 1.00 0.00 H new ATOM 0 HG13 ILE A 32 0.682 -18.089 -7.728 1.00 0.00 H new ATOM 0 HG21 ILE A 32 1.876 -16.067 -7.746 1.00 0.00 H new ATOM 0 HG22 ILE A 32 3.316 -15.833 -6.726 1.00 0.00 H new ATOM 0 HG23 ILE A 32 3.322 -17.072 -8.004 1.00 0.00 H new ATOM 0 HD11 ILE A 32 1.328 -20.416 -8.110 1.00 0.00 H new ATOM 0 HD12 ILE A 32 2.714 -19.332 -8.376 1.00 0.00 H new ATOM 0 HD13 ILE A 32 2.601 -20.280 -6.874 1.00 0.00 H new ATOM 469 N GLN A 33 3.860 -16.735 -3.795 1.00 0.00 N ATOM 470 CA GLN A 33 4.655 -15.730 -3.100 1.00 0.00 C ATOM 471 C GLN A 33 6.040 -16.271 -2.760 1.00 0.00 C ATOM 472 O GLN A 33 7.027 -15.534 -2.775 1.00 0.00 O ATOM 473 CB GLN A 33 3.944 -15.278 -1.824 1.00 0.00 C ATOM 474 CG GLN A 33 2.520 -14.800 -2.058 1.00 0.00 C ATOM 475 CD GLN A 33 1.762 -14.568 -0.766 1.00 0.00 C ATOM 476 OE1 GLN A 33 2.292 -14.783 0.325 1.00 0.00 O ATOM 477 NE2 GLN A 33 0.515 -14.127 -0.881 1.00 0.00 N ATOM 0 H GLN A 33 2.985 -16.977 -3.329 1.00 0.00 H new ATOM 0 HA GLN A 33 4.772 -14.874 -3.764 1.00 0.00 H new ATOM 0 HB2 GLN A 33 3.929 -16.105 -1.114 1.00 0.00 H new ATOM 0 HB3 GLN A 33 4.518 -14.473 -1.364 1.00 0.00 H new ATOM 0 HG2 GLN A 33 2.542 -13.874 -2.633 1.00 0.00 H new ATOM 0 HG3 GLN A 33 1.988 -15.537 -2.660 1.00 0.00 H new ATOM 0 HE21 GLN A 33 0.115 -13.962 -1.805 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -0.043 -13.953 -0.045 1.00 0.00 H new ATOM 486 N LEU A 34 6.106 -17.562 -2.453 1.00 0.00 N ATOM 487 CA LEU A 34 7.370 -18.203 -2.108 1.00 0.00 C ATOM 488 C LEU A 34 8.201 -18.476 -3.358 1.00 0.00 C ATOM 489 O LEU A 34 9.265 -17.887 -3.550 1.00 0.00 O ATOM 490 CB LEU A 34 7.114 -19.510 -1.357 1.00 0.00 C ATOM 491 CG LEU A 34 6.233 -19.406 -0.111 1.00 0.00 C ATOM 492 CD1 LEU A 34 5.464 -20.700 0.108 1.00 0.00 C ATOM 493 CD2 LEU A 34 7.075 -19.071 1.111 1.00 0.00 C ATOM 0 H LEU A 34 5.299 -18.185 -2.436 1.00 0.00 H new ATOM 0 HA LEU A 34 7.929 -17.524 -1.463 1.00 0.00 H new ATOM 0 HB2 LEU A 34 6.652 -20.217 -2.046 1.00 0.00 H new ATOM 0 HB3 LEU A 34 8.075 -19.932 -1.064 1.00 0.00 H new ATOM 0 HG LEU A 34 5.514 -18.601 -0.264 1.00 0.00 H new ATOM 0 HD11 LEU A 34 4.843 -20.608 0.999 1.00 0.00 H new ATOM 0 HD12 LEU A 34 4.831 -20.898 -0.757 1.00 0.00 H new ATOM 0 HD13 LEU A 34 6.167 -21.523 0.239 1.00 0.00 H new ATOM 0 HD21 LEU A 34 6.432 -19.001 1.988 1.00 0.00 H new ATOM 0 HD22 LEU A 34 7.817 -19.854 1.267 1.00 0.00 H new ATOM 0 HD23 LEU A 34 7.580 -18.118 0.955 1.00 0.00 H new ATOM 505 N SER A 35 7.706 -19.371 -4.207 1.00 0.00 N ATOM 506 CA SER A 35 8.403 -19.724 -5.439 1.00 0.00 C ATOM 507 C SER A 35 8.922 -18.475 -6.146 1.00 0.00 C ATOM 508 O SER A 35 9.952 -18.512 -6.819 1.00 0.00 O ATOM 509 CB SER A 35 7.474 -20.503 -6.371 1.00 0.00 C ATOM 510 OG SER A 35 8.210 -21.356 -7.229 1.00 0.00 O ATOM 0 H SER A 35 6.825 -19.865 -4.065 1.00 0.00 H new ATOM 0 HA SER A 35 9.254 -20.353 -5.178 1.00 0.00 H new ATOM 0 HB2 SER A 35 6.773 -21.093 -5.781 1.00 0.00 H new ATOM 0 HB3 SER A 35 6.883 -19.806 -6.965 1.00 0.00 H new ATOM 0 HG SER A 35 7.593 -21.844 -7.813 1.00 0.00 H new ATOM 516 N ARG A 36 8.200 -17.371 -5.989 1.00 0.00 N ATOM 517 CA ARG A 36 8.585 -16.111 -6.612 1.00 0.00 C ATOM 518 C ARG A 36 9.633 -15.387 -5.773 1.00 0.00 C ATOM 519 O ARG A 36 10.462 -14.643 -6.301 1.00 0.00 O ATOM 520 CB ARG A 36 7.359 -15.214 -6.801 1.00 0.00 C ATOM 521 CG ARG A 36 6.939 -14.484 -5.536 1.00 0.00 C ATOM 522 CD ARG A 36 5.971 -13.352 -5.842 1.00 0.00 C ATOM 523 NE ARG A 36 4.585 -13.810 -5.874 1.00 0.00 N ATOM 524 CZ ARG A 36 3.562 -13.036 -6.219 1.00 0.00 C ATOM 525 NH1 ARG A 36 3.770 -11.772 -6.561 1.00 0.00 N ATOM 526 NH2 ARG A 36 2.329 -13.526 -6.224 1.00 0.00 N ATOM 0 H ARG A 36 7.345 -17.324 -5.435 1.00 0.00 H new ATOM 0 HA ARG A 36 9.017 -16.335 -7.588 1.00 0.00 H new ATOM 0 HB2 ARG A 36 7.572 -14.482 -7.580 1.00 0.00 H new ATOM 0 HB3 ARG A 36 6.526 -15.821 -7.154 1.00 0.00 H new ATOM 0 HG2 ARG A 36 6.472 -15.187 -4.847 1.00 0.00 H new ATOM 0 HG3 ARG A 36 7.821 -14.085 -5.035 1.00 0.00 H new ATOM 0 HD2 ARG A 36 6.077 -12.571 -5.089 1.00 0.00 H new ATOM 0 HD3 ARG A 36 6.227 -12.906 -6.803 1.00 0.00 H new ATOM 0 HE ARG A 36 4.392 -14.778 -5.617 1.00 0.00 H new ATOM 0 HH11 ARG A 36 4.717 -11.392 -6.560 1.00 0.00 H new ATOM 0 HH12 ARG A 36 2.983 -11.179 -6.826 1.00 0.00 H new ATOM 0 HH21 ARG A 36 2.166 -14.498 -5.963 1.00 0.00 H new ATOM 0 HH22 ARG A 36 1.545 -12.930 -6.489 1.00 0.00 H new ATOM 540 N LEU A 37 9.592 -15.608 -4.464 1.00 0.00 N ATOM 541 CA LEU A 37 10.538 -14.977 -3.551 1.00 0.00 C ATOM 542 C LEU A 37 11.918 -15.616 -3.668 1.00 0.00 C ATOM 543 O LEU A 37 12.939 -14.932 -3.605 1.00 0.00 O ATOM 544 CB LEU A 37 10.035 -15.084 -2.110 1.00 0.00 C ATOM 545 CG LEU A 37 9.059 -13.997 -1.658 1.00 0.00 C ATOM 546 CD1 LEU A 37 8.115 -14.537 -0.594 1.00 0.00 C ATOM 547 CD2 LEU A 37 9.816 -12.784 -1.136 1.00 0.00 C ATOM 0 H LEU A 37 8.913 -16.220 -4.011 1.00 0.00 H new ATOM 0 HA LEU A 37 10.621 -13.925 -3.824 1.00 0.00 H new ATOM 0 HB2 LEU A 37 9.551 -16.053 -1.986 1.00 0.00 H new ATOM 0 HB3 LEU A 37 10.897 -15.070 -1.443 1.00 0.00 H new ATOM 0 HG LEU A 37 8.466 -13.687 -2.518 1.00 0.00 H new ATOM 0 HD11 LEU A 37 7.428 -13.750 -0.284 1.00 0.00 H new ATOM 0 HD12 LEU A 37 7.548 -15.374 -1.001 1.00 0.00 H new ATOM 0 HD13 LEU A 37 8.692 -14.874 0.267 1.00 0.00 H new ATOM 0 HD21 LEU A 37 9.106 -12.021 -0.819 1.00 0.00 H new ATOM 0 HD22 LEU A 37 10.435 -13.078 -0.288 1.00 0.00 H new ATOM 0 HD23 LEU A 37 10.450 -12.383 -1.927 1.00 0.00 H new ATOM 559 N LYS A 38 11.941 -16.933 -3.842 1.00 0.00 N ATOM 560 CA LYS A 38 13.195 -17.667 -3.973 1.00 0.00 C ATOM 561 C LYS A 38 14.147 -16.950 -4.925 1.00 0.00 C ATOM 562 O LYS A 38 15.304 -16.697 -4.589 1.00 0.00 O ATOM 563 CB LYS A 38 12.928 -19.088 -4.475 1.00 0.00 C ATOM 564 CG LYS A 38 12.575 -20.067 -3.368 1.00 0.00 C ATOM 565 CD LYS A 38 12.890 -21.498 -3.769 1.00 0.00 C ATOM 566 CE LYS A 38 12.736 -22.453 -2.595 1.00 0.00 C ATOM 567 NZ LYS A 38 13.964 -22.498 -1.753 1.00 0.00 N ATOM 0 H LYS A 38 11.105 -17.515 -3.896 1.00 0.00 H new ATOM 0 HA LYS A 38 13.662 -17.718 -2.990 1.00 0.00 H new ATOM 0 HB2 LYS A 38 12.114 -19.062 -5.199 1.00 0.00 H new ATOM 0 HB3 LYS A 38 13.811 -19.450 -5.001 1.00 0.00 H new ATOM 0 HG2 LYS A 38 13.128 -19.811 -2.464 1.00 0.00 H new ATOM 0 HG3 LYS A 38 11.515 -19.980 -3.128 1.00 0.00 H new ATOM 0 HD2 LYS A 38 12.227 -21.805 -4.578 1.00 0.00 H new ATOM 0 HD3 LYS A 38 13.909 -21.553 -4.153 1.00 0.00 H new ATOM 0 HE2 LYS A 38 11.888 -22.144 -1.984 1.00 0.00 H new ATOM 0 HE3 LYS A 38 12.514 -23.453 -2.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 13.820 -23.160 -0.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 14.769 -22.817 -2.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 14.162 -21.549 -1.377 1.00 0.00 H new ATOM 581 N LYS A 39 13.653 -16.625 -6.115 1.00 0.00 N ATOM 582 CA LYS A 39 14.459 -15.935 -7.115 1.00 0.00 C ATOM 583 C LYS A 39 15.257 -14.799 -6.483 1.00 0.00 C ATOM 584 O LYS A 39 16.477 -14.724 -6.636 1.00 0.00 O ATOM 585 CB LYS A 39 13.565 -15.386 -8.229 1.00 0.00 C ATOM 586 CG LYS A 39 13.347 -16.362 -9.372 1.00 0.00 C ATOM 587 CD LYS A 39 12.139 -17.250 -9.124 1.00 0.00 C ATOM 588 CE LYS A 39 10.854 -16.588 -9.597 1.00 0.00 C ATOM 589 NZ LYS A 39 10.704 -16.663 -11.077 1.00 0.00 N ATOM 0 H LYS A 39 12.698 -16.828 -6.410 1.00 0.00 H new ATOM 0 HA LYS A 39 15.159 -16.654 -7.540 1.00 0.00 H new ATOM 0 HB2 LYS A 39 12.598 -15.113 -7.806 1.00 0.00 H new ATOM 0 HB3 LYS A 39 14.010 -14.472 -8.623 1.00 0.00 H new ATOM 0 HG2 LYS A 39 13.209 -15.810 -10.302 1.00 0.00 H new ATOM 0 HG3 LYS A 39 14.235 -16.981 -9.497 1.00 0.00 H new ATOM 0 HD2 LYS A 39 12.272 -18.200 -9.642 1.00 0.00 H new ATOM 0 HD3 LYS A 39 12.064 -17.475 -8.060 1.00 0.00 H new ATOM 0 HE2 LYS A 39 10.000 -17.070 -9.121 1.00 0.00 H new ATOM 0 HE3 LYS A 39 10.846 -15.544 -9.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 9.778 -16.277 -11.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 11.458 -16.110 -11.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 10.770 -17.655 -11.383 1.00 0.00 H new ATOM 603 N LEU A 40 14.562 -13.919 -5.771 1.00 0.00 N ATOM 604 CA LEU A 40 15.206 -12.787 -5.114 1.00 0.00 C ATOM 605 C LEU A 40 16.256 -13.264 -4.115 1.00 0.00 C ATOM 606 O LEU A 40 17.252 -12.583 -3.873 1.00 0.00 O ATOM 607 CB LEU A 40 14.163 -11.924 -4.402 1.00 0.00 C ATOM 608 CG LEU A 40 12.966 -11.485 -5.246 1.00 0.00 C ATOM 609 CD1 LEU A 40 11.785 -11.132 -4.356 1.00 0.00 C ATOM 610 CD2 LEU A 40 13.342 -10.304 -6.130 1.00 0.00 C ATOM 0 H LEU A 40 13.552 -13.967 -5.634 1.00 0.00 H new ATOM 0 HA LEU A 40 15.702 -12.189 -5.878 1.00 0.00 H new ATOM 0 HB2 LEU A 40 13.791 -12.477 -3.540 1.00 0.00 H new ATOM 0 HB3 LEU A 40 14.659 -11.032 -4.019 1.00 0.00 H new ATOM 0 HG LEU A 40 12.674 -12.316 -5.888 1.00 0.00 H new ATOM 0 HD11 LEU A 40 10.943 -10.822 -4.975 1.00 0.00 H new ATOM 0 HD12 LEU A 40 11.501 -12.003 -3.766 1.00 0.00 H new ATOM 0 HD13 LEU A 40 12.064 -10.317 -3.688 1.00 0.00 H new ATOM 0 HD21 LEU A 40 12.478 -10.005 -6.724 1.00 0.00 H new ATOM 0 HD22 LEU A 40 13.660 -9.469 -5.506 1.00 0.00 H new ATOM 0 HD23 LEU A 40 14.157 -10.592 -6.794 1.00 0.00 H new ATOM 622 N GLY A 41 16.026 -14.439 -3.537 1.00 0.00 N ATOM 623 CA GLY A 41 16.961 -14.988 -2.573 1.00 0.00 C ATOM 624 C GLY A 41 16.526 -14.746 -1.141 1.00 0.00 C ATOM 625 O GLY A 41 17.352 -14.736 -0.228 1.00 0.00 O ATOM 0 H GLY A 41 15.208 -15.021 -3.719 1.00 0.00 H new ATOM 0 HA2 GLY A 41 17.065 -16.060 -2.742 1.00 0.00 H new ATOM 0 HA3 GLY A 41 17.944 -14.544 -2.731 1.00 0.00 H new ATOM 629 N ILE A 42 15.227 -14.549 -0.944 1.00 0.00 N ATOM 630 CA ILE A 42 14.685 -14.306 0.386 1.00 0.00 C ATOM 631 C ILE A 42 14.202 -15.602 1.029 1.00 0.00 C ATOM 632 O ILE A 42 13.025 -15.951 0.939 1.00 0.00 O ATOM 633 CB ILE A 42 13.518 -13.302 0.344 1.00 0.00 C ATOM 634 CG1 ILE A 42 14.024 -11.915 -0.061 1.00 0.00 C ATOM 635 CG2 ILE A 42 12.820 -13.243 1.694 1.00 0.00 C ATOM 636 CD1 ILE A 42 12.919 -10.959 -0.452 1.00 0.00 C ATOM 0 H ILE A 42 14.530 -14.553 -1.689 1.00 0.00 H new ATOM 0 HA ILE A 42 15.494 -13.886 0.984 1.00 0.00 H new ATOM 0 HB ILE A 42 12.797 -13.638 -0.401 1.00 0.00 H new ATOM 0 HG12 ILE A 42 14.588 -11.487 0.768 1.00 0.00 H new ATOM 0 HG13 ILE A 42 14.716 -12.019 -0.897 1.00 0.00 H new ATOM 0 HG21 ILE A 42 11.998 -12.529 1.648 1.00 0.00 H new ATOM 0 HG22 ILE A 42 12.430 -14.229 1.946 1.00 0.00 H new ATOM 0 HG23 ILE A 42 13.531 -12.928 2.458 1.00 0.00 H new ATOM 0 HD11 ILE A 42 13.351 -9.997 -0.727 1.00 0.00 H new ATOM 0 HD12 ILE A 42 12.369 -11.366 -1.301 1.00 0.00 H new ATOM 0 HD13 ILE A 42 12.239 -10.825 0.390 1.00 0.00 H new ATOM 648 N HIS A 43 15.119 -16.310 1.680 1.00 0.00 N ATOM 649 CA HIS A 43 14.787 -17.568 2.341 1.00 0.00 C ATOM 650 C HIS A 43 14.129 -17.313 3.693 1.00 0.00 C ATOM 651 O HIS A 43 14.469 -17.949 4.691 1.00 0.00 O ATOM 652 CB HIS A 43 16.043 -18.419 2.524 1.00 0.00 C ATOM 653 CG HIS A 43 16.439 -19.175 1.294 1.00 0.00 C ATOM 654 ND1 HIS A 43 16.374 -18.637 0.026 1.00 0.00 N ATOM 655 CD2 HIS A 43 16.909 -20.436 1.142 1.00 0.00 C ATOM 656 CE1 HIS A 43 16.785 -19.533 -0.853 1.00 0.00 C ATOM 657 NE2 HIS A 43 17.116 -20.634 -0.202 1.00 0.00 N ATOM 0 H HIS A 43 16.098 -16.035 1.764 1.00 0.00 H new ATOM 0 HA HIS A 43 14.081 -18.107 1.709 1.00 0.00 H new ATOM 0 HB2 HIS A 43 16.868 -17.774 2.825 1.00 0.00 H new ATOM 0 HB3 HIS A 43 15.878 -19.126 3.337 1.00 0.00 H new ATOM 0 HD2 HIS A 43 17.088 -21.152 1.930 1.00 0.00 H new ATOM 0 HE1 HIS A 43 16.841 -19.390 -1.922 1.00 0.00 H new ATOM 0 HE2 HIS A 43 17.468 -21.491 -0.628 1.00 0.00 H new ATOM 666 N LYS A 44 13.185 -16.378 3.720 1.00 0.00 N ATOM 667 CA LYS A 44 12.478 -16.038 4.949 1.00 0.00 C ATOM 668 C LYS A 44 10.982 -16.301 4.807 1.00 0.00 C ATOM 669 O LYS A 44 10.263 -15.530 4.171 1.00 0.00 O ATOM 670 CB LYS A 44 12.716 -14.570 5.310 1.00 0.00 C ATOM 671 CG LYS A 44 13.959 -14.346 6.154 1.00 0.00 C ATOM 672 CD LYS A 44 14.339 -12.876 6.208 1.00 0.00 C ATOM 673 CE LYS A 44 15.769 -12.687 6.690 1.00 0.00 C ATOM 674 NZ LYS A 44 15.915 -13.017 8.135 1.00 0.00 N ATOM 0 H LYS A 44 12.892 -15.842 2.903 1.00 0.00 H new ATOM 0 HA LYS A 44 12.866 -16.670 5.748 1.00 0.00 H new ATOM 0 HB2 LYS A 44 12.800 -13.988 4.392 1.00 0.00 H new ATOM 0 HB3 LYS A 44 11.848 -14.192 5.849 1.00 0.00 H new ATOM 0 HG2 LYS A 44 13.785 -14.715 7.165 1.00 0.00 H new ATOM 0 HG3 LYS A 44 14.788 -14.922 5.743 1.00 0.00 H new ATOM 0 HD2 LYS A 44 14.226 -12.433 5.218 1.00 0.00 H new ATOM 0 HD3 LYS A 44 13.657 -12.347 6.873 1.00 0.00 H new ATOM 0 HE2 LYS A 44 16.436 -13.319 6.104 1.00 0.00 H new ATOM 0 HE3 LYS A 44 16.076 -11.655 6.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 16.904 -12.876 8.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 15.297 -12.397 8.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 15.646 -14.009 8.293 1.00 0.00 H new ATOM 688 N THR A 45 10.518 -17.395 5.404 1.00 0.00 N ATOM 689 CA THR A 45 9.108 -17.759 5.344 1.00 0.00 C ATOM 690 C THR A 45 8.280 -16.907 6.299 1.00 0.00 C ATOM 691 O THR A 45 7.227 -16.387 5.928 1.00 0.00 O ATOM 692 CB THR A 45 8.897 -19.246 5.685 1.00 0.00 C ATOM 693 OG1 THR A 45 9.690 -20.065 4.818 1.00 0.00 O ATOM 694 CG2 THR A 45 7.431 -19.628 5.552 1.00 0.00 C ATOM 0 H THR A 45 11.099 -18.044 5.935 1.00 0.00 H new ATOM 0 HA THR A 45 8.778 -17.579 4.321 1.00 0.00 H new ATOM 0 HB THR A 45 9.206 -19.407 6.718 1.00 0.00 H new ATOM 0 HG1 THR A 45 9.551 -21.009 5.042 1.00 0.00 H new ATOM 0 HG21 THR A 45 7.306 -20.683 5.798 1.00 0.00 H new ATOM 0 HG22 THR A 45 6.834 -19.023 6.235 1.00 0.00 H new ATOM 0 HG23 THR A 45 7.101 -19.452 4.528 1.00 0.00 H new ATOM 702 N ASP A 46 8.761 -16.769 7.530 1.00 0.00 N ATOM 703 CA ASP A 46 8.064 -15.978 8.538 1.00 0.00 C ATOM 704 C ASP A 46 7.859 -14.544 8.059 1.00 0.00 C ATOM 705 O ASP A 46 8.799 -13.857 7.659 1.00 0.00 O ATOM 706 CB ASP A 46 8.849 -15.982 9.851 1.00 0.00 C ATOM 707 CG ASP A 46 8.021 -15.488 11.021 1.00 0.00 C ATOM 708 OD1 ASP A 46 7.226 -14.544 10.828 1.00 0.00 O ATOM 709 OD2 ASP A 46 8.170 -16.043 12.130 1.00 0.00 O ATOM 0 H ASP A 46 9.630 -17.194 7.854 1.00 0.00 H new ATOM 0 HA ASP A 46 7.086 -16.429 8.706 1.00 0.00 H new ATOM 0 HB2 ASP A 46 9.199 -16.993 10.059 1.00 0.00 H new ATOM 0 HB3 ASP A 46 9.733 -15.354 9.744 1.00 0.00 H new ATOM 714 N PRO A 47 6.601 -14.081 8.098 1.00 0.00 N ATOM 715 CA PRO A 47 6.243 -12.726 7.670 1.00 0.00 C ATOM 716 C PRO A 47 6.769 -11.659 8.624 1.00 0.00 C ATOM 717 O PRO A 47 6.609 -10.463 8.382 1.00 0.00 O ATOM 718 CB PRO A 47 4.712 -12.744 7.680 1.00 0.00 C ATOM 719 CG PRO A 47 4.352 -13.803 8.663 1.00 0.00 C ATOM 720 CD PRO A 47 5.431 -14.846 8.562 1.00 0.00 C ATOM 0 HA PRO A 47 6.674 -12.478 6.700 1.00 0.00 H new ATOM 0 HB2 PRO A 47 4.307 -11.776 7.975 1.00 0.00 H new ATOM 0 HB3 PRO A 47 4.312 -12.969 6.691 1.00 0.00 H new ATOM 0 HG2 PRO A 47 4.296 -13.396 9.673 1.00 0.00 H new ATOM 0 HG3 PRO A 47 3.375 -14.229 8.437 1.00 0.00 H new ATOM 0 HD2 PRO A 47 5.619 -15.324 9.523 1.00 0.00 H new ATOM 0 HD3 PRO A 47 5.163 -15.635 7.860 1.00 0.00 H new ATOM 728 N SER A 48 7.397 -12.100 9.709 1.00 0.00 N ATOM 729 CA SER A 48 7.944 -11.183 10.702 1.00 0.00 C ATOM 730 C SER A 48 9.428 -10.933 10.452 1.00 0.00 C ATOM 731 O SER A 48 9.898 -9.796 10.511 1.00 0.00 O ATOM 732 CB SER A 48 7.740 -11.742 12.111 1.00 0.00 C ATOM 733 OG SER A 48 6.415 -11.519 12.561 1.00 0.00 O ATOM 0 H SER A 48 7.540 -13.087 9.923 1.00 0.00 H new ATOM 0 HA SER A 48 7.414 -10.235 10.615 1.00 0.00 H new ATOM 0 HB2 SER A 48 7.954 -12.811 12.116 1.00 0.00 H new ATOM 0 HB3 SER A 48 8.444 -11.272 12.798 1.00 0.00 H new ATOM 0 HG SER A 48 6.310 -11.887 13.463 1.00 0.00 H new ATOM 739 N THR A 49 10.163 -12.005 10.172 1.00 0.00 N ATOM 740 CA THR A 49 11.594 -11.905 9.914 1.00 0.00 C ATOM 741 C THR A 49 11.885 -10.882 8.822 1.00 0.00 C ATOM 742 O THR A 49 12.782 -10.049 8.960 1.00 0.00 O ATOM 743 CB THR A 49 12.187 -13.265 9.499 1.00 0.00 C ATOM 744 OG1 THR A 49 11.430 -13.820 8.417 1.00 0.00 O ATOM 745 CG2 THR A 49 12.190 -14.234 10.672 1.00 0.00 C ATOM 0 H THR A 49 9.790 -12.953 10.118 1.00 0.00 H new ATOM 0 HA THR A 49 12.061 -11.583 10.845 1.00 0.00 H new ATOM 0 HB THR A 49 13.216 -13.105 9.177 1.00 0.00 H new ATOM 0 HG1 THR A 49 10.494 -13.539 8.495 1.00 0.00 H new ATOM 0 HG21 THR A 49 12.613 -15.187 10.355 1.00 0.00 H new ATOM 0 HG22 THR A 49 12.791 -13.822 11.483 1.00 0.00 H new ATOM 0 HG23 THR A 49 11.168 -14.388 11.019 1.00 0.00 H new ATOM 753 N LEU A 50 11.123 -10.950 7.736 1.00 0.00 N ATOM 754 CA LEU A 50 11.299 -10.028 6.619 1.00 0.00 C ATOM 755 C LEU A 50 11.373 -8.586 7.110 1.00 0.00 C ATOM 756 O LEU A 50 10.570 -8.158 7.940 1.00 0.00 O ATOM 757 CB LEU A 50 10.150 -10.181 5.621 1.00 0.00 C ATOM 758 CG LEU A 50 10.342 -11.239 4.534 1.00 0.00 C ATOM 759 CD1 LEU A 50 9.804 -12.584 4.997 1.00 0.00 C ATOM 760 CD2 LEU A 50 9.661 -10.806 3.243 1.00 0.00 C ATOM 0 H LEU A 50 10.377 -11.634 7.605 1.00 0.00 H new ATOM 0 HA LEU A 50 12.238 -10.272 6.123 1.00 0.00 H new ATOM 0 HB2 LEU A 50 9.243 -10.419 6.176 1.00 0.00 H new ATOM 0 HB3 LEU A 50 9.984 -9.218 5.138 1.00 0.00 H new ATOM 0 HG LEU A 50 11.410 -11.345 4.341 1.00 0.00 H new ATOM 0 HD11 LEU A 50 9.949 -13.324 4.210 1.00 0.00 H new ATOM 0 HD12 LEU A 50 10.336 -12.899 5.895 1.00 0.00 H new ATOM 0 HD13 LEU A 50 8.741 -12.494 5.218 1.00 0.00 H new ATOM 0 HD21 LEU A 50 9.808 -11.571 2.480 1.00 0.00 H new ATOM 0 HD22 LEU A 50 8.594 -10.672 3.422 1.00 0.00 H new ATOM 0 HD23 LEU A 50 10.093 -9.865 2.902 1.00 0.00 H new ATOM 772 N THR A 51 12.341 -7.838 6.589 1.00 0.00 N ATOM 773 CA THR A 51 12.520 -6.443 6.973 1.00 0.00 C ATOM 774 C THR A 51 11.921 -5.505 5.931 1.00 0.00 C ATOM 775 O THR A 51 11.383 -5.951 4.918 1.00 0.00 O ATOM 776 CB THR A 51 14.009 -6.099 7.161 1.00 0.00 C ATOM 777 OG1 THR A 51 14.702 -6.220 5.914 1.00 0.00 O ATOM 778 CG2 THR A 51 14.650 -7.014 8.194 1.00 0.00 C ATOM 0 H THR A 51 13.013 -8.175 5.900 1.00 0.00 H new ATOM 0 HA THR A 51 12.001 -6.307 7.922 1.00 0.00 H new ATOM 0 HB THR A 51 14.079 -5.071 7.516 1.00 0.00 H new ATOM 0 HG1 THR A 51 15.648 -5.998 6.043 1.00 0.00 H new ATOM 0 HG21 THR A 51 15.702 -6.752 8.310 1.00 0.00 H new ATOM 0 HG22 THR A 51 14.140 -6.897 9.150 1.00 0.00 H new ATOM 0 HG23 THR A 51 14.568 -8.049 7.863 1.00 0.00 H new ATOM 786 N GLU A 52 12.018 -4.204 6.187 1.00 0.00 N ATOM 787 CA GLU A 52 11.485 -3.204 5.270 1.00 0.00 C ATOM 788 C GLU A 52 11.969 -3.459 3.846 1.00 0.00 C ATOM 789 O GLU A 52 11.190 -3.403 2.895 1.00 0.00 O ATOM 790 CB GLU A 52 11.896 -1.800 5.717 1.00 0.00 C ATOM 791 CG GLU A 52 13.349 -1.468 5.423 1.00 0.00 C ATOM 792 CD GLU A 52 13.805 -0.191 6.101 1.00 0.00 C ATOM 793 OE1 GLU A 52 13.239 0.879 5.795 1.00 0.00 O ATOM 794 OE2 GLU A 52 14.728 -0.263 6.940 1.00 0.00 O ATOM 0 H GLU A 52 12.460 -3.818 7.021 1.00 0.00 H new ATOM 0 HA GLU A 52 10.398 -3.278 5.284 1.00 0.00 H new ATOM 0 HB2 GLU A 52 11.258 -1.069 5.221 1.00 0.00 H new ATOM 0 HB3 GLU A 52 11.720 -1.703 6.788 1.00 0.00 H new ATOM 0 HG2 GLU A 52 13.980 -2.294 5.751 1.00 0.00 H new ATOM 0 HG3 GLU A 52 13.485 -1.371 4.346 1.00 0.00 H new ATOM 801 N GLU A 53 13.262 -3.737 3.708 1.00 0.00 N ATOM 802 CA GLU A 53 13.851 -3.998 2.399 1.00 0.00 C ATOM 803 C GLU A 53 13.196 -5.208 1.740 1.00 0.00 C ATOM 804 O GLU A 53 12.676 -5.116 0.628 1.00 0.00 O ATOM 805 CB GLU A 53 15.358 -4.229 2.531 1.00 0.00 C ATOM 806 CG GLU A 53 16.083 -4.288 1.197 1.00 0.00 C ATOM 807 CD GLU A 53 17.591 -4.257 1.351 1.00 0.00 C ATOM 808 OE1 GLU A 53 18.080 -3.553 2.260 1.00 0.00 O ATOM 809 OE2 GLU A 53 18.283 -4.935 0.563 1.00 0.00 O ATOM 0 H GLU A 53 13.921 -3.787 4.485 1.00 0.00 H new ATOM 0 HA GLU A 53 13.678 -3.125 1.770 1.00 0.00 H new ATOM 0 HB2 GLU A 53 15.788 -3.429 3.134 1.00 0.00 H new ATOM 0 HB3 GLU A 53 15.529 -5.161 3.069 1.00 0.00 H new ATOM 0 HG2 GLU A 53 15.794 -5.198 0.671 1.00 0.00 H new ATOM 0 HG3 GLU A 53 15.767 -3.448 0.579 1.00 0.00 H new ATOM 816 N GLU A 54 13.225 -6.342 2.434 1.00 0.00 N ATOM 817 CA GLU A 54 12.635 -7.570 1.915 1.00 0.00 C ATOM 818 C GLU A 54 11.181 -7.347 1.511 1.00 0.00 C ATOM 819 O GLU A 54 10.738 -7.814 0.462 1.00 0.00 O ATOM 820 CB GLU A 54 12.721 -8.685 2.960 1.00 0.00 C ATOM 821 CG GLU A 54 14.094 -9.329 3.052 1.00 0.00 C ATOM 822 CD GLU A 54 15.045 -8.551 3.941 1.00 0.00 C ATOM 823 OE1 GLU A 54 15.654 -7.579 3.449 1.00 0.00 O ATOM 824 OE2 GLU A 54 15.179 -8.915 5.128 1.00 0.00 O ATOM 0 H GLU A 54 13.651 -6.435 3.356 1.00 0.00 H new ATOM 0 HA GLU A 54 13.198 -7.867 1.030 1.00 0.00 H new ATOM 0 HB2 GLU A 54 12.454 -8.279 3.935 1.00 0.00 H new ATOM 0 HB3 GLU A 54 11.984 -9.452 2.722 1.00 0.00 H new ATOM 0 HG2 GLU A 54 13.990 -10.343 3.437 1.00 0.00 H new ATOM 0 HG3 GLU A 54 14.521 -9.410 2.052 1.00 0.00 H new ATOM 831 N VAL A 55 10.442 -6.630 2.352 1.00 0.00 N ATOM 832 CA VAL A 55 9.038 -6.344 2.084 1.00 0.00 C ATOM 833 C VAL A 55 8.882 -5.485 0.834 1.00 0.00 C ATOM 834 O VAL A 55 8.230 -5.886 -0.130 1.00 0.00 O ATOM 835 CB VAL A 55 8.374 -5.626 3.274 1.00 0.00 C ATOM 836 CG1 VAL A 55 6.939 -5.250 2.938 1.00 0.00 C ATOM 837 CG2 VAL A 55 8.427 -6.499 4.519 1.00 0.00 C ATOM 0 H VAL A 55 10.793 -6.237 3.225 1.00 0.00 H new ATOM 0 HA VAL A 55 8.544 -7.303 1.927 1.00 0.00 H new ATOM 0 HB VAL A 55 8.927 -4.709 3.477 1.00 0.00 H new ATOM 0 HG11 VAL A 55 6.486 -4.744 3.791 1.00 0.00 H new ATOM 0 HG12 VAL A 55 6.930 -4.585 2.074 1.00 0.00 H new ATOM 0 HG13 VAL A 55 6.371 -6.151 2.708 1.00 0.00 H new ATOM 0 HG21 VAL A 55 7.954 -5.976 5.350 1.00 0.00 H new ATOM 0 HG22 VAL A 55 7.899 -7.434 4.330 1.00 0.00 H new ATOM 0 HG23 VAL A 55 9.466 -6.713 4.769 1.00 0.00 H new ATOM 847 N ARG A 56 9.484 -4.300 0.858 1.00 0.00 N ATOM 848 CA ARG A 56 9.411 -3.383 -0.272 1.00 0.00 C ATOM 849 C ARG A 56 9.650 -4.120 -1.587 1.00 0.00 C ATOM 850 O ARG A 56 8.937 -3.910 -2.568 1.00 0.00 O ATOM 851 CB ARG A 56 10.436 -2.259 -0.112 1.00 0.00 C ATOM 852 CG ARG A 56 10.037 -1.213 0.916 1.00 0.00 C ATOM 853 CD ARG A 56 10.707 0.124 0.640 1.00 0.00 C ATOM 854 NE ARG A 56 10.802 0.947 1.842 1.00 0.00 N ATOM 855 CZ ARG A 56 11.270 2.191 1.847 1.00 0.00 C ATOM 856 NH1 ARG A 56 11.683 2.751 0.718 1.00 0.00 N ATOM 857 NH2 ARG A 56 11.325 2.876 2.981 1.00 0.00 N ATOM 0 H ARG A 56 10.028 -3.953 1.648 1.00 0.00 H new ATOM 0 HA ARG A 56 8.410 -2.952 -0.293 1.00 0.00 H new ATOM 0 HB2 ARG A 56 11.395 -2.691 0.175 1.00 0.00 H new ATOM 0 HB3 ARG A 56 10.582 -1.772 -1.076 1.00 0.00 H new ATOM 0 HG2 ARG A 56 8.954 -1.087 0.907 1.00 0.00 H new ATOM 0 HG3 ARG A 56 10.310 -1.559 1.913 1.00 0.00 H new ATOM 0 HD2 ARG A 56 11.706 -0.047 0.238 1.00 0.00 H new ATOM 0 HD3 ARG A 56 10.144 0.661 -0.123 1.00 0.00 H new ATOM 0 HE ARG A 56 10.492 0.545 2.727 1.00 0.00 H new ATOM 0 HH11 ARG A 56 11.642 2.227 -0.156 1.00 0.00 H new ATOM 0 HH12 ARG A 56 12.042 3.706 0.724 1.00 0.00 H new ATOM 0 HH21 ARG A 56 11.008 2.448 3.851 1.00 0.00 H new ATOM 0 HH22 ARG A 56 11.684 3.831 2.983 1.00 0.00 H new ATOM 871 N LYS A 57 10.658 -4.985 -1.599 1.00 0.00 N ATOM 872 CA LYS A 57 10.993 -5.755 -2.791 1.00 0.00 C ATOM 873 C LYS A 57 9.853 -6.695 -3.169 1.00 0.00 C ATOM 874 O LYS A 57 9.226 -6.538 -4.217 1.00 0.00 O ATOM 875 CB LYS A 57 12.275 -6.557 -2.562 1.00 0.00 C ATOM 876 CG LYS A 57 13.543 -5.772 -2.852 1.00 0.00 C ATOM 877 CD LYS A 57 14.722 -6.695 -3.115 1.00 0.00 C ATOM 878 CE LYS A 57 15.465 -7.030 -1.832 1.00 0.00 C ATOM 879 NZ LYS A 57 16.766 -7.703 -2.103 1.00 0.00 N ATOM 0 H LYS A 57 11.258 -5.171 -0.795 1.00 0.00 H new ATOM 0 HA LYS A 57 11.152 -5.056 -3.612 1.00 0.00 H new ATOM 0 HB2 LYS A 57 12.299 -6.901 -1.528 1.00 0.00 H new ATOM 0 HB3 LYS A 57 12.255 -7.446 -3.193 1.00 0.00 H new ATOM 0 HG2 LYS A 57 13.384 -5.128 -3.717 1.00 0.00 H new ATOM 0 HG3 LYS A 57 13.770 -5.121 -2.008 1.00 0.00 H new ATOM 0 HD2 LYS A 57 14.369 -7.614 -3.582 1.00 0.00 H new ATOM 0 HD3 LYS A 57 15.406 -6.222 -3.820 1.00 0.00 H new ATOM 0 HE2 LYS A 57 15.640 -6.116 -1.265 1.00 0.00 H new ATOM 0 HE3 LYS A 57 14.844 -7.676 -1.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 17.242 -7.915 -1.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 16.597 -8.588 -2.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 17.369 -7.076 -2.674 1.00 0.00 H new ATOM 893 N PHE A 58 9.588 -7.672 -2.308 1.00 0.00 N ATOM 894 CA PHE A 58 8.522 -8.638 -2.552 1.00 0.00 C ATOM 895 C PHE A 58 7.296 -7.955 -3.150 1.00 0.00 C ATOM 896 O PHE A 58 6.748 -8.409 -4.155 1.00 0.00 O ATOM 897 CB PHE A 58 8.141 -9.347 -1.250 1.00 0.00 C ATOM 898 CG PHE A 58 6.953 -10.255 -1.389 1.00 0.00 C ATOM 899 CD1 PHE A 58 6.975 -11.316 -2.280 1.00 0.00 C ATOM 900 CD2 PHE A 58 5.813 -10.047 -0.629 1.00 0.00 C ATOM 901 CE1 PHE A 58 5.884 -12.154 -2.409 1.00 0.00 C ATOM 902 CE2 PHE A 58 4.719 -10.882 -0.754 1.00 0.00 C ATOM 903 CZ PHE A 58 4.754 -11.936 -1.646 1.00 0.00 C ATOM 0 H PHE A 58 10.096 -7.816 -1.435 1.00 0.00 H new ATOM 0 HA PHE A 58 8.889 -9.375 -3.266 1.00 0.00 H new ATOM 0 HB2 PHE A 58 8.994 -9.928 -0.899 1.00 0.00 H new ATOM 0 HB3 PHE A 58 7.929 -8.599 -0.486 1.00 0.00 H new ATOM 0 HD1 PHE A 58 7.855 -11.490 -2.881 1.00 0.00 H new ATOM 0 HD2 PHE A 58 5.779 -9.223 0.069 1.00 0.00 H new ATOM 0 HE1 PHE A 58 5.915 -12.979 -3.106 1.00 0.00 H new ATOM 0 HE2 PHE A 58 3.837 -10.711 -0.155 1.00 0.00 H new ATOM 0 HZ PHE A 58 3.899 -12.588 -1.746 1.00 0.00 H new ATOM 913 N ALA A 59 6.871 -6.862 -2.526 1.00 0.00 N ATOM 914 CA ALA A 59 5.711 -6.115 -2.997 1.00 0.00 C ATOM 915 C ALA A 59 5.812 -5.828 -4.491 1.00 0.00 C ATOM 916 O ALA A 59 4.884 -6.106 -5.250 1.00 0.00 O ATOM 917 CB ALA A 59 5.566 -4.817 -2.217 1.00 0.00 C ATOM 0 H ALA A 59 7.313 -6.474 -1.693 1.00 0.00 H new ATOM 0 HA ALA A 59 4.824 -6.727 -2.830 1.00 0.00 H new ATOM 0 HB1 ALA A 59 4.696 -4.270 -2.580 1.00 0.00 H new ATOM 0 HB2 ALA A 59 5.438 -5.041 -1.158 1.00 0.00 H new ATOM 0 HB3 ALA A 59 6.460 -4.209 -2.354 1.00 0.00 H new ATOM 923 N ARG A 60 6.945 -5.270 -4.906 1.00 0.00 N ATOM 924 CA ARG A 60 7.167 -4.944 -6.309 1.00 0.00 C ATOM 925 C ARG A 60 6.505 -5.976 -7.218 1.00 0.00 C ATOM 926 O ARG A 60 5.564 -5.664 -7.948 1.00 0.00 O ATOM 927 CB ARG A 60 8.665 -4.872 -6.608 1.00 0.00 C ATOM 928 CG ARG A 60 9.410 -3.865 -5.746 1.00 0.00 C ATOM 929 CD ARG A 60 10.871 -3.755 -6.154 1.00 0.00 C ATOM 930 NE ARG A 60 11.053 -2.871 -7.302 1.00 0.00 N ATOM 931 CZ ARG A 60 12.136 -2.880 -8.072 1.00 0.00 C ATOM 932 NH1 ARG A 60 13.128 -3.722 -7.817 1.00 0.00 N ATOM 933 NH2 ARG A 60 12.228 -2.045 -9.099 1.00 0.00 N ATOM 0 H ARG A 60 7.723 -5.034 -4.290 1.00 0.00 H new ATOM 0 HA ARG A 60 6.718 -3.970 -6.505 1.00 0.00 H new ATOM 0 HB2 ARG A 60 9.104 -5.859 -6.461 1.00 0.00 H new ATOM 0 HB3 ARG A 60 8.806 -4.614 -7.658 1.00 0.00 H new ATOM 0 HG2 ARG A 60 8.933 -2.889 -5.831 1.00 0.00 H new ATOM 0 HG3 ARG A 60 9.345 -4.162 -4.699 1.00 0.00 H new ATOM 0 HD2 ARG A 60 11.455 -3.382 -5.313 1.00 0.00 H new ATOM 0 HD3 ARG A 60 11.256 -4.746 -6.395 1.00 0.00 H new ATOM 0 HE ARG A 60 10.308 -2.211 -7.525 1.00 0.00 H new ATOM 0 HH11 ARG A 60 13.061 -4.365 -7.028 1.00 0.00 H new ATOM 0 HH12 ARG A 60 13.958 -3.727 -8.410 1.00 0.00 H new ATOM 0 HH21 ARG A 60 11.467 -1.396 -9.298 1.00 0.00 H new ATOM 0 HH22 ARG A 60 13.060 -2.053 -9.690 1.00 0.00 H new ATOM 947 N LEU A 61 7.005 -7.206 -7.170 1.00 0.00 N ATOM 948 CA LEU A 61 6.463 -8.285 -7.989 1.00 0.00 C ATOM 949 C LEU A 61 4.956 -8.132 -8.163 1.00 0.00 C ATOM 950 O LEU A 61 4.445 -8.154 -9.282 1.00 0.00 O ATOM 951 CB LEU A 61 6.780 -9.641 -7.356 1.00 0.00 C ATOM 952 CG LEU A 61 8.262 -9.950 -7.138 1.00 0.00 C ATOM 953 CD1 LEU A 61 8.445 -10.861 -5.934 1.00 0.00 C ATOM 954 CD2 LEU A 61 8.864 -10.582 -8.384 1.00 0.00 C ATOM 0 H LEU A 61 7.785 -7.481 -6.573 1.00 0.00 H new ATOM 0 HA LEU A 61 6.931 -8.232 -8.972 1.00 0.00 H new ATOM 0 HB2 LEU A 61 6.272 -9.698 -6.393 1.00 0.00 H new ATOM 0 HB3 LEU A 61 6.356 -10.422 -7.987 1.00 0.00 H new ATOM 0 HG LEU A 61 8.784 -9.013 -6.942 1.00 0.00 H new ATOM 0 HD11 LEU A 61 9.506 -11.070 -5.794 1.00 0.00 H new ATOM 0 HD12 LEU A 61 8.051 -10.371 -5.044 1.00 0.00 H new ATOM 0 HD13 LEU A 61 7.910 -11.796 -6.100 1.00 0.00 H new ATOM 0 HD21 LEU A 61 9.919 -10.795 -8.211 1.00 0.00 H new ATOM 0 HD22 LEU A 61 8.339 -11.510 -8.611 1.00 0.00 H new ATOM 0 HD23 LEU A 61 8.766 -9.895 -9.224 1.00 0.00 H new