USER MOD reduce.3.24.130724 H: found=0, std=0, add=482, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 479 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 33 ASN : amide:sc=-0.00682 X(o=-0.0068,f=-0.14) USER MOD Set 1.2: A 34 CYS SG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 22 ASN : amide:sc= -0.918 K(o=-0.92,f=-9.7!) USER MOD Single : A 24 LYS NZ :NH3+ -176:sc= -0.369 (180deg=-0.398) USER MOD Single : A 25 HIS : no HD1:sc= -0.664 K(o=-0.66,f=-0.077) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 31 THR OG1 : rot 130:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -2.2 K(o=-2.2,f=-4.3!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= -1.28 K(o=-1.3,f=-2.4!) USER MOD Single : A 45 ASN : amide:sc= -5.31! C(o=-5.3!,f=-11!) USER MOD Single : A 46 ASN : amide:sc= -0.876 K(o=-0.88,f=-1.4!) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=-0.049) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 TYR OH : rot 150:sc= -1.46! USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 151 N PRO A 10 -6.746 -7.502 -5.581 1.00 0.00 N ATOM 152 CA PRO A 10 -5.321 -7.701 -5.913 1.00 0.00 C ATOM 153 C PRO A 10 -4.442 -7.774 -4.667 1.00 0.00 C ATOM 154 O PRO A 10 -3.537 -8.604 -4.574 1.00 0.00 O ATOM 155 CB PRO A 10 -4.992 -6.460 -6.731 1.00 0.00 C ATOM 156 CG PRO A 10 -5.989 -5.383 -6.330 1.00 0.00 C ATOM 157 CD PRO A 10 -7.169 -6.080 -5.647 1.00 0.00 C ATOM 0 HA PRO A 10 -5.141 -8.640 -6.437 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -3.971 -6.131 -6.538 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -5.062 -6.672 -7.798 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -5.526 -4.664 -5.655 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -6.326 -4.827 -7.205 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -7.356 -5.671 -4.654 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -8.090 -5.962 -6.219 1.00 0.00 H new ATOM 165 N CYS A 11 -4.724 -6.894 -3.713 1.00 0.00 N ATOM 166 CA CYS A 11 -3.962 -6.859 -2.468 1.00 0.00 C ATOM 167 C CYS A 11 -4.511 -7.883 -1.482 1.00 0.00 C ATOM 168 O CYS A 11 -5.704 -8.183 -1.469 1.00 0.00 O ATOM 169 CB CYS A 11 -4.032 -5.471 -1.831 1.00 0.00 C ATOM 170 SG CYS A 11 -2.770 -4.398 -2.564 1.00 0.00 S ATOM 0 H CYS A 11 -5.469 -6.200 -3.775 1.00 0.00 H new ATOM 0 HA CYS A 11 -2.925 -7.096 -2.704 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -5.022 -5.040 -1.982 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -3.878 -5.546 -0.754 1.00 0.00 H new ATOM 175 N ARG A 12 -3.618 -8.408 -0.656 1.00 0.00 N ATOM 176 CA ARG A 12 -4.001 -9.402 0.346 1.00 0.00 C ATOM 177 C ARG A 12 -3.437 -9.023 1.710 1.00 0.00 C ATOM 178 O ARG A 12 -4.130 -9.083 2.726 1.00 0.00 O ATOM 179 CB ARG A 12 -3.484 -10.792 -0.042 1.00 0.00 C ATOM 180 CG ARG A 12 -1.993 -10.715 -0.380 1.00 0.00 C ATOM 181 CD ARG A 12 -1.542 -12.035 -1.008 1.00 0.00 C ATOM 182 NE ARG A 12 -0.321 -11.844 -1.785 1.00 0.00 N ATOM 183 CZ ARG A 12 0.858 -12.246 -1.317 1.00 0.00 C ATOM 184 NH1 ARG A 12 1.442 -11.578 -0.361 1.00 0.00 N ATOM 185 NH2 ARG A 12 1.429 -13.308 -1.815 1.00 0.00 N ATOM 0 H ARG A 12 -2.627 -8.166 -0.656 1.00 0.00 H new ATOM 0 HA ARG A 12 -5.090 -9.426 0.395 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -3.645 -11.492 0.778 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -4.041 -11.171 -0.899 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -1.808 -9.891 -1.069 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -1.415 -10.513 0.522 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -1.370 -12.776 -0.227 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -2.331 -12.426 -1.650 1.00 0.00 H new ATOM 0 HE ARG A 12 -0.372 -11.396 -2.700 1.00 0.00 H new ATOM 0 HH11 ARG A 12 0.995 -10.748 0.028 1.00 0.00 H new ATOM 0 HH12 ARG A 12 2.346 -11.886 -0.002 1.00 0.00 H new ATOM 0 HH21 ARG A 12 0.972 -13.830 -2.563 1.00 0.00 H new ATOM 0 HH22 ARG A 12 2.333 -13.617 -1.457 1.00 0.00 H new ATOM 199 N PHE A 13 -2.170 -8.621 1.718 1.00 0.00 N ATOM 200 CA PHE A 13 -1.512 -8.219 2.956 1.00 0.00 C ATOM 201 C PHE A 13 -0.835 -6.868 2.764 1.00 0.00 C ATOM 202 O PHE A 13 -0.357 -6.549 1.676 1.00 0.00 O ATOM 203 CB PHE A 13 -0.459 -9.249 3.370 1.00 0.00 C ATOM 204 CG PHE A 13 -1.144 -10.508 3.846 1.00 0.00 C ATOM 205 CD1 PHE A 13 -1.743 -10.543 5.111 1.00 0.00 C ATOM 206 CD2 PHE A 13 -1.179 -11.640 3.023 1.00 0.00 C ATOM 207 CE1 PHE A 13 -2.376 -11.710 5.552 1.00 0.00 C ATOM 208 CE2 PHE A 13 -1.813 -12.807 3.464 1.00 0.00 C ATOM 209 CZ PHE A 13 -2.412 -12.842 4.729 1.00 0.00 C ATOM 0 H PHE A 13 -1.582 -8.565 0.887 1.00 0.00 H new ATOM 0 HA PHE A 13 -2.268 -8.150 3.738 1.00 0.00 H new ATOM 0 HB2 PHE A 13 0.195 -9.475 2.528 1.00 0.00 H new ATOM 0 HB3 PHE A 13 0.170 -8.843 4.162 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -1.716 -9.670 5.746 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -0.717 -11.613 2.047 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -2.837 -11.738 6.528 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -1.840 -13.680 2.829 1.00 0.00 H new ATOM 0 HZ PHE A 13 -2.902 -13.742 5.070 1.00 0.00 H new ATOM 219 N PHE A 14 -0.806 -6.070 3.827 1.00 0.00 N ATOM 220 CA PHE A 14 -0.190 -4.748 3.746 1.00 0.00 C ATOM 221 C PHE A 14 1.058 -4.668 4.613 1.00 0.00 C ATOM 222 O PHE A 14 1.060 -5.089 5.770 1.00 0.00 O ATOM 223 CB PHE A 14 -1.172 -3.668 4.197 1.00 0.00 C ATOM 224 CG PHE A 14 -2.116 -3.359 3.067 1.00 0.00 C ATOM 225 CD1 PHE A 14 -2.914 -4.370 2.523 1.00 0.00 C ATOM 226 CD2 PHE A 14 -2.186 -2.060 2.561 1.00 0.00 C ATOM 227 CE1 PHE A 14 -3.787 -4.077 1.468 1.00 0.00 C ATOM 228 CE2 PHE A 14 -3.057 -1.765 1.508 1.00 0.00 C ATOM 229 CZ PHE A 14 -3.858 -2.774 0.959 1.00 0.00 C ATOM 0 H PHE A 14 -1.194 -6.309 4.740 1.00 0.00 H new ATOM 0 HA PHE A 14 0.086 -4.583 2.705 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -1.729 -4.007 5.070 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -0.632 -2.768 4.493 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -2.857 -5.375 2.916 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -1.567 -1.282 2.983 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -4.406 -4.856 1.047 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -3.112 -0.759 1.118 1.00 0.00 H new ATOM 0 HZ PHE A 14 -4.530 -2.548 0.144 1.00 0.00 H new ATOM 239 N GLU A 15 2.119 -4.106 4.040 1.00 0.00 N ATOM 240 CA GLU A 15 3.373 -3.956 4.770 1.00 0.00 C ATOM 241 C GLU A 15 3.506 -2.529 5.297 1.00 0.00 C ATOM 242 O GLU A 15 4.233 -1.708 4.738 1.00 0.00 O ATOM 243 CB GLU A 15 4.565 -4.274 3.863 1.00 0.00 C ATOM 244 CG GLU A 15 4.540 -5.756 3.485 1.00 0.00 C ATOM 245 CD GLU A 15 5.328 -6.556 4.516 1.00 0.00 C ATOM 246 OE1 GLU A 15 6.546 -6.502 4.476 1.00 0.00 O ATOM 247 OE2 GLU A 15 4.701 -7.211 5.333 1.00 0.00 O ATOM 0 H GLU A 15 2.136 -3.751 3.084 1.00 0.00 H new ATOM 0 HA GLU A 15 3.366 -4.654 5.607 1.00 0.00 H new ATOM 0 HB2 GLU A 15 4.526 -3.658 2.964 1.00 0.00 H new ATOM 0 HB3 GLU A 15 5.498 -4.034 4.373 1.00 0.00 H new ATOM 0 HG2 GLU A 15 3.511 -6.114 3.440 1.00 0.00 H new ATOM 0 HG3 GLU A 15 4.970 -5.897 2.493 1.00 0.00 H new ATOM 254 N SER A 16 2.788 -2.240 6.382 1.00 0.00 N ATOM 255 CA SER A 16 2.828 -0.906 6.981 1.00 0.00 C ATOM 256 C SER A 16 4.253 -0.542 7.393 1.00 0.00 C ATOM 257 O SER A 16 4.631 0.628 7.399 1.00 0.00 O ATOM 258 CB SER A 16 1.921 -0.840 8.210 1.00 0.00 C ATOM 259 OG SER A 16 2.207 -1.941 9.064 1.00 0.00 O ATOM 0 H SER A 16 2.178 -2.903 6.860 1.00 0.00 H new ATOM 0 HA SER A 16 2.476 -0.196 6.233 1.00 0.00 H new ATOM 0 HB2 SER A 16 2.078 0.098 8.742 1.00 0.00 H new ATOM 0 HB3 SER A 16 0.875 -0.863 7.906 1.00 0.00 H new ATOM 0 HG SER A 16 1.629 -1.901 9.854 1.00 0.00 H new ATOM 265 N HIS A 17 5.042 -1.561 7.730 1.00 0.00 N ATOM 266 CA HIS A 17 6.430 -1.340 8.134 1.00 0.00 C ATOM 267 C HIS A 17 7.216 -0.618 7.036 1.00 0.00 C ATOM 268 O HIS A 17 8.246 0.001 7.300 1.00 0.00 O ATOM 269 CB HIS A 17 7.115 -2.675 8.436 1.00 0.00 C ATOM 270 CG HIS A 17 6.861 -3.058 9.868 1.00 0.00 C ATOM 271 ND1 HIS A 17 7.618 -2.551 10.914 1.00 0.00 N ATOM 272 CD2 HIS A 17 5.940 -3.896 10.445 1.00 0.00 C ATOM 273 CE1 HIS A 17 7.142 -3.083 12.054 1.00 0.00 C ATOM 274 NE2 HIS A 17 6.119 -3.911 11.824 1.00 0.00 N ATOM 0 H HIS A 17 4.748 -2.538 7.732 1.00 0.00 H new ATOM 0 HA HIS A 17 6.417 -0.719 9.030 1.00 0.00 H new ATOM 0 HB2 HIS A 17 6.736 -3.449 7.769 1.00 0.00 H new ATOM 0 HB3 HIS A 17 8.187 -2.595 8.255 1.00 0.00 H new ATOM 0 HD2 HIS A 17 5.190 -4.459 9.909 1.00 0.00 H new ATOM 0 HE1 HIS A 17 7.538 -2.867 13.035 1.00 0.00 H new ATOM 0 HE2 HIS A 17 5.584 -4.441 12.512 1.00 0.00 H new ATOM 282 N VAL A 18 6.719 -0.703 5.799 1.00 0.00 N ATOM 283 CA VAL A 18 7.377 -0.057 4.668 1.00 0.00 C ATOM 284 C VAL A 18 7.531 1.442 4.918 1.00 0.00 C ATOM 285 O VAL A 18 6.815 2.039 5.722 1.00 0.00 O ATOM 286 CB VAL A 18 6.560 -0.282 3.385 1.00 0.00 C ATOM 287 CG1 VAL A 18 7.247 0.384 2.187 1.00 0.00 C ATOM 288 CG2 VAL A 18 6.441 -1.784 3.120 1.00 0.00 C ATOM 0 H VAL A 18 5.867 -1.211 5.559 1.00 0.00 H new ATOM 0 HA VAL A 18 8.367 -0.498 4.551 1.00 0.00 H new ATOM 0 HB VAL A 18 5.571 0.158 3.517 1.00 0.00 H new ATOM 0 HG11 VAL A 18 6.655 0.215 1.288 1.00 0.00 H new ATOM 0 HG12 VAL A 18 7.335 1.455 2.367 1.00 0.00 H new ATOM 0 HG13 VAL A 18 8.241 -0.044 2.053 1.00 0.00 H new ATOM 0 HG21 VAL A 18 5.862 -1.948 2.211 1.00 0.00 H new ATOM 0 HG22 VAL A 18 7.436 -2.212 2.999 1.00 0.00 H new ATOM 0 HG23 VAL A 18 5.940 -2.263 3.961 1.00 0.00 H new ATOM 298 N ALA A 19 8.477 2.031 4.202 1.00 0.00 N ATOM 299 CA ALA A 19 8.746 3.456 4.314 1.00 0.00 C ATOM 300 C ALA A 19 9.177 3.999 2.958 1.00 0.00 C ATOM 301 O ALA A 19 9.918 3.350 2.221 1.00 0.00 O ATOM 302 CB ALA A 19 9.851 3.719 5.337 1.00 0.00 C ATOM 0 H ALA A 19 9.073 1.541 3.535 1.00 0.00 H new ATOM 0 HA ALA A 19 7.836 3.956 4.645 1.00 0.00 H new ATOM 0 HB1 ALA A 19 10.036 4.791 5.405 1.00 0.00 H new ATOM 0 HB2 ALA A 19 9.542 3.342 6.312 1.00 0.00 H new ATOM 0 HB3 ALA A 19 10.764 3.212 5.025 1.00 0.00 H new ATOM 308 N ARG A 20 8.694 5.196 2.633 1.00 0.00 N ATOM 309 CA ARG A 20 9.008 5.844 1.350 1.00 0.00 C ATOM 310 C ARG A 20 10.489 5.716 0.977 1.00 0.00 C ATOM 311 O ARG A 20 10.843 5.694 -0.202 1.00 0.00 O ATOM 312 CB ARG A 20 8.647 7.325 1.410 1.00 0.00 C ATOM 313 CG ARG A 20 8.311 7.827 0.004 1.00 0.00 C ATOM 314 CD ARG A 20 8.370 9.355 -0.022 1.00 0.00 C ATOM 315 NE ARG A 20 7.863 9.869 -1.292 1.00 0.00 N ATOM 316 CZ ARG A 20 7.199 11.019 -1.349 1.00 0.00 C ATOM 317 NH1 ARG A 20 5.914 11.044 -1.122 1.00 0.00 N ATOM 318 NH2 ARG A 20 7.833 12.125 -1.633 1.00 0.00 N ATOM 0 H ARG A 20 8.082 5.743 3.238 1.00 0.00 H new ATOM 0 HA ARG A 20 8.419 5.334 0.588 1.00 0.00 H new ATOM 0 HB2 ARG A 20 7.796 7.476 2.074 1.00 0.00 H new ATOM 0 HB3 ARG A 20 9.479 7.896 1.822 1.00 0.00 H new ATOM 0 HG2 ARG A 20 9.014 7.413 -0.719 1.00 0.00 H new ATOM 0 HG3 ARG A 20 7.317 7.486 -0.287 1.00 0.00 H new ATOM 0 HD2 ARG A 20 7.782 9.761 0.801 1.00 0.00 H new ATOM 0 HD3 ARG A 20 9.398 9.687 0.126 1.00 0.00 H new ATOM 0 HE ARG A 20 8.021 9.337 -2.148 1.00 0.00 H new ATOM 0 HH11 ARG A 20 5.418 10.180 -0.901 1.00 0.00 H new ATOM 0 HH12 ARG A 20 5.405 11.927 -1.166 1.00 0.00 H new ATOM 0 HH21 ARG A 20 8.837 12.106 -1.811 1.00 0.00 H new ATOM 0 HH22 ARG A 20 7.324 13.008 -1.677 1.00 0.00 H new ATOM 332 N ALA A 21 11.347 5.636 1.991 1.00 0.00 N ATOM 333 CA ALA A 21 12.784 5.515 1.753 1.00 0.00 C ATOM 334 C ALA A 21 13.098 4.268 0.930 1.00 0.00 C ATOM 335 O ALA A 21 13.662 4.352 -0.161 1.00 0.00 O ATOM 336 CB ALA A 21 13.541 5.439 3.080 1.00 0.00 C ATOM 0 H ALA A 21 11.077 5.652 2.975 1.00 0.00 H new ATOM 0 HA ALA A 21 13.103 6.398 1.199 1.00 0.00 H new ATOM 0 HB1 ALA A 21 14.610 5.349 2.885 1.00 0.00 H new ATOM 0 HB2 ALA A 21 13.353 6.343 3.659 1.00 0.00 H new ATOM 0 HB3 ALA A 21 13.201 4.570 3.644 1.00 0.00 H new ATOM 342 N ASN A 22 12.733 3.112 1.470 1.00 0.00 N ATOM 343 CA ASN A 22 12.984 1.847 0.788 1.00 0.00 C ATOM 344 C ASN A 22 11.937 1.566 -0.293 1.00 0.00 C ATOM 345 O ASN A 22 12.049 0.582 -1.018 1.00 0.00 O ATOM 346 CB ASN A 22 12.984 0.698 1.795 1.00 0.00 C ATOM 347 CG ASN A 22 11.675 0.697 2.576 1.00 0.00 C ATOM 348 OD1 ASN A 22 11.376 1.646 3.301 1.00 0.00 O ATOM 349 ND2 ASN A 22 10.871 -0.325 2.471 1.00 0.00 N ATOM 0 H ASN A 22 12.265 3.023 2.372 1.00 0.00 H new ATOM 0 HA ASN A 22 13.960 1.925 0.309 1.00 0.00 H new ATOM 0 HB2 ASN A 22 13.110 -0.252 1.276 1.00 0.00 H new ATOM 0 HB3 ASN A 22 13.826 0.802 2.479 1.00 0.00 H new ATOM 0 HD21 ASN A 22 9.993 -0.339 2.990 1.00 0.00 H new ATOM 0 HD22 ASN A 22 11.120 -1.110 1.870 1.00 0.00 H new ATOM 356 N VAL A 23 10.929 2.431 -0.416 1.00 0.00 N ATOM 357 CA VAL A 23 9.909 2.225 -1.443 1.00 0.00 C ATOM 358 C VAL A 23 10.454 2.682 -2.792 1.00 0.00 C ATOM 359 O VAL A 23 11.040 3.758 -2.909 1.00 0.00 O ATOM 360 CB VAL A 23 8.629 3.000 -1.111 1.00 0.00 C ATOM 361 CG1 VAL A 23 7.546 2.683 -2.148 1.00 0.00 C ATOM 362 CG2 VAL A 23 8.129 2.597 0.285 1.00 0.00 C ATOM 0 H VAL A 23 10.798 3.259 0.165 1.00 0.00 H new ATOM 0 HA VAL A 23 9.662 1.164 -1.482 1.00 0.00 H new ATOM 0 HB VAL A 23 8.845 4.068 -1.128 1.00 0.00 H new ATOM 0 HG11 VAL A 23 6.638 3.237 -1.907 1.00 0.00 H new ATOM 0 HG12 VAL A 23 7.895 2.973 -3.139 1.00 0.00 H new ATOM 0 HG13 VAL A 23 7.333 1.614 -2.136 1.00 0.00 H new ATOM 0 HG21 VAL A 23 7.219 3.149 0.519 1.00 0.00 H new ATOM 0 HG22 VAL A 23 7.919 1.528 0.302 1.00 0.00 H new ATOM 0 HG23 VAL A 23 8.894 2.828 1.026 1.00 0.00 H new ATOM 372 N LYS A 24 10.268 1.844 -3.802 1.00 0.00 N ATOM 373 CA LYS A 24 10.760 2.159 -5.142 1.00 0.00 C ATOM 374 C LYS A 24 9.710 2.919 -5.941 1.00 0.00 C ATOM 375 O LYS A 24 9.984 3.986 -6.492 1.00 0.00 O ATOM 376 CB LYS A 24 11.126 0.878 -5.894 1.00 0.00 C ATOM 377 CG LYS A 24 12.202 1.188 -6.937 1.00 0.00 C ATOM 378 CD LYS A 24 12.247 0.065 -7.976 1.00 0.00 C ATOM 379 CE LYS A 24 11.367 0.434 -9.174 1.00 0.00 C ATOM 380 NZ LYS A 24 10.047 -0.246 -9.049 1.00 0.00 N ATOM 0 H LYS A 24 9.785 0.949 -3.724 1.00 0.00 H new ATOM 0 HA LYS A 24 11.647 2.783 -5.030 1.00 0.00 H new ATOM 0 HB2 LYS A 24 11.489 0.124 -5.195 1.00 0.00 H new ATOM 0 HB3 LYS A 24 10.242 0.464 -6.380 1.00 0.00 H new ATOM 0 HG2 LYS A 24 11.988 2.139 -7.424 1.00 0.00 H new ATOM 0 HG3 LYS A 24 13.174 1.289 -6.453 1.00 0.00 H new ATOM 0 HD2 LYS A 24 13.274 -0.099 -8.304 1.00 0.00 H new ATOM 0 HD3 LYS A 24 11.901 -0.868 -7.532 1.00 0.00 H new ATOM 0 HE2 LYS A 24 11.229 1.514 -9.218 1.00 0.00 H new ATOM 0 HE3 LYS A 24 11.855 0.137 -10.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 9.474 -0.051 -9.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 10.192 -1.272 -8.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 9.552 0.109 -8.206 1.00 0.00 H new ATOM 394 N HIS A 25 8.508 2.359 -6.007 1.00 0.00 N ATOM 395 CA HIS A 25 7.429 3.003 -6.755 1.00 0.00 C ATOM 396 C HIS A 25 6.073 2.657 -6.155 1.00 0.00 C ATOM 397 O HIS A 25 5.935 1.689 -5.408 1.00 0.00 O ATOM 398 CB HIS A 25 7.454 2.556 -8.218 1.00 0.00 C ATOM 399 CG HIS A 25 6.862 3.635 -9.082 1.00 0.00 C ATOM 400 ND1 HIS A 25 7.622 4.678 -9.586 1.00 0.00 N ATOM 401 CD2 HIS A 25 5.586 3.844 -9.541 1.00 0.00 C ATOM 402 CE1 HIS A 25 6.803 5.462 -10.312 1.00 0.00 C ATOM 403 NE2 HIS A 25 5.550 4.999 -10.317 1.00 0.00 N ATOM 0 H HIS A 25 8.256 1.477 -5.562 1.00 0.00 H new ATOM 0 HA HIS A 25 7.582 4.081 -6.698 1.00 0.00 H new ATOM 0 HB2 HIS A 25 8.478 2.348 -8.528 1.00 0.00 H new ATOM 0 HB3 HIS A 25 6.891 1.630 -8.336 1.00 0.00 H new ATOM 0 HD2 HIS A 25 4.738 3.209 -9.332 1.00 0.00 H new ATOM 0 HE1 HIS A 25 7.120 6.356 -10.828 1.00 0.00 H new ATOM 0 HE2 HIS A 25 4.741 5.404 -10.788 1.00 0.00 H new ATOM 411 N LEU A 26 5.068 3.462 -6.496 1.00 0.00 N ATOM 412 CA LEU A 26 3.720 3.231 -5.987 1.00 0.00 C ATOM 413 C LEU A 26 2.741 2.992 -7.127 1.00 0.00 C ATOM 414 O LEU A 26 2.791 3.648 -8.166 1.00 0.00 O ATOM 415 CB LEU A 26 3.220 4.427 -5.181 1.00 0.00 C ATOM 416 CG LEU A 26 3.903 4.480 -3.812 1.00 0.00 C ATOM 417 CD1 LEU A 26 3.396 5.703 -3.039 1.00 0.00 C ATOM 418 CD2 LEU A 26 3.569 3.215 -3.018 1.00 0.00 C ATOM 0 H LEU A 26 5.160 4.268 -7.114 1.00 0.00 H new ATOM 0 HA LEU A 26 3.773 2.350 -5.347 1.00 0.00 H new ATOM 0 HB2 LEU A 26 3.418 5.349 -5.728 1.00 0.00 H new ATOM 0 HB3 LEU A 26 2.140 4.359 -5.052 1.00 0.00 H new ATOM 0 HG LEU A 26 4.982 4.549 -3.952 1.00 0.00 H new ATOM 0 HD11 LEU A 26 3.881 5.743 -2.064 1.00 0.00 H new ATOM 0 HD12 LEU A 26 3.629 6.609 -3.598 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.317 5.627 -2.905 1.00 0.00 H new ATOM 0 HD21 LEU A 26 4.057 3.257 -2.044 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.490 3.146 -2.880 1.00 0.00 H new ATOM 0 HD23 LEU A 26 3.922 2.339 -3.563 1.00 0.00 H new ATOM 430 N LYS A 27 1.837 2.054 -6.897 1.00 0.00 N ATOM 431 CA LYS A 27 0.811 1.723 -7.884 1.00 0.00 C ATOM 432 C LYS A 27 -0.501 1.425 -7.165 1.00 0.00 C ATOM 433 O LYS A 27 -0.503 1.107 -5.979 1.00 0.00 O ATOM 434 CB LYS A 27 1.225 0.504 -8.711 1.00 0.00 C ATOM 435 CG LYS A 27 1.961 0.965 -9.972 1.00 0.00 C ATOM 436 CD LYS A 27 2.640 -0.234 -10.637 1.00 0.00 C ATOM 437 CE LYS A 27 3.828 -0.686 -9.786 1.00 0.00 C ATOM 438 NZ LYS A 27 4.596 -1.731 -10.519 1.00 0.00 N ATOM 0 H LYS A 27 1.789 1.506 -6.038 1.00 0.00 H new ATOM 0 HA LYS A 27 0.686 2.572 -8.556 1.00 0.00 H new ATOM 0 HB2 LYS A 27 1.868 -0.148 -8.120 1.00 0.00 H new ATOM 0 HB3 LYS A 27 0.345 -0.079 -8.984 1.00 0.00 H new ATOM 0 HG2 LYS A 27 1.260 1.429 -10.665 1.00 0.00 H new ATOM 0 HG3 LYS A 27 2.704 1.721 -9.716 1.00 0.00 H new ATOM 0 HD2 LYS A 27 1.928 -1.052 -10.750 1.00 0.00 H new ATOM 0 HD3 LYS A 27 2.978 0.035 -11.638 1.00 0.00 H new ATOM 0 HE2 LYS A 27 4.473 0.164 -9.562 1.00 0.00 H new ATOM 0 HE3 LYS A 27 3.477 -1.080 -8.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 5.404 -2.038 -9.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 3.978 -2.545 -10.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 4.943 -1.340 -11.418 1.00 0.00 H new ATOM 452 N ILE A 28 -1.617 1.542 -7.879 1.00 0.00 N ATOM 453 CA ILE A 28 -2.916 1.286 -7.271 1.00 0.00 C ATOM 454 C ILE A 28 -3.806 0.483 -8.213 1.00 0.00 C ATOM 455 O ILE A 28 -3.706 0.593 -9.435 1.00 0.00 O ATOM 456 CB ILE A 28 -3.614 2.606 -6.933 1.00 0.00 C ATOM 457 CG1 ILE A 28 -2.677 3.481 -6.094 1.00 0.00 C ATOM 458 CG2 ILE A 28 -4.887 2.319 -6.138 1.00 0.00 C ATOM 459 CD1 ILE A 28 -1.929 4.454 -7.010 1.00 0.00 C ATOM 0 H ILE A 28 -1.648 1.808 -8.863 1.00 0.00 H new ATOM 0 HA ILE A 28 -2.750 0.713 -6.359 1.00 0.00 H new ATOM 0 HB ILE A 28 -3.869 3.128 -7.855 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -3.249 4.034 -5.349 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -1.967 2.856 -5.552 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -5.385 3.258 -5.897 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -5.555 1.697 -6.733 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -4.630 1.797 -5.216 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -1.262 5.076 -6.413 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -1.345 3.892 -7.738 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -2.647 5.087 -7.531 1.00 0.00 H new ATOM 471 N LEU A 29 -4.687 -0.319 -7.623 1.00 0.00 N ATOM 472 CA LEU A 29 -5.607 -1.135 -8.407 1.00 0.00 C ATOM 473 C LEU A 29 -7.042 -0.703 -8.129 1.00 0.00 C ATOM 474 O LEU A 29 -7.548 -0.859 -7.017 1.00 0.00 O ATOM 475 CB LEU A 29 -5.458 -2.620 -8.058 1.00 0.00 C ATOM 476 CG LEU A 29 -4.209 -3.214 -8.729 1.00 0.00 C ATOM 477 CD1 LEU A 29 -4.325 -3.093 -10.251 1.00 0.00 C ATOM 478 CD2 LEU A 29 -2.954 -2.472 -8.253 1.00 0.00 C ATOM 0 H LEU A 29 -4.783 -0.421 -6.613 1.00 0.00 H new ATOM 0 HA LEU A 29 -5.369 -0.995 -9.462 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -5.387 -2.739 -6.977 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -6.345 -3.165 -8.381 1.00 0.00 H new ATOM 0 HG LEU A 29 -4.131 -4.266 -8.455 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -3.436 -3.516 -10.718 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -5.207 -3.634 -10.593 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -4.415 -2.042 -10.527 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -2.074 -2.900 -8.734 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -3.034 -1.417 -8.515 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -2.861 -2.571 -7.172 1.00 0.00 H new ATOM 490 N ASN A 30 -7.689 -0.153 -9.149 1.00 0.00 N ATOM 491 CA ASN A 30 -9.067 0.309 -9.004 1.00 0.00 C ATOM 492 C ASN A 30 -10.046 -0.830 -9.265 1.00 0.00 C ATOM 493 O ASN A 30 -10.514 -1.024 -10.387 1.00 0.00 O ATOM 494 CB ASN A 30 -9.356 1.449 -9.984 1.00 0.00 C ATOM 495 CG ASN A 30 -10.706 2.075 -9.652 1.00 0.00 C ATOM 496 OD1 ASN A 30 -10.938 2.502 -8.521 1.00 0.00 O ATOM 497 ND2 ASN A 30 -11.620 2.155 -10.580 1.00 0.00 N ATOM 0 H ASN A 30 -7.288 -0.016 -10.077 1.00 0.00 H new ATOM 0 HA ASN A 30 -9.193 0.667 -7.982 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -8.570 2.202 -9.925 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -9.360 1.072 -11.007 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -12.527 2.571 -10.368 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -11.428 1.801 -11.517 1.00 0.00 H new ATOM 504 N THR A 31 -10.354 -1.577 -8.210 1.00 0.00 N ATOM 505 CA THR A 31 -11.283 -2.697 -8.325 1.00 0.00 C ATOM 506 C THR A 31 -12.661 -2.287 -7.793 1.00 0.00 C ATOM 507 O THR A 31 -12.752 -1.503 -6.849 1.00 0.00 O ATOM 508 CB THR A 31 -10.772 -3.896 -7.518 1.00 0.00 C ATOM 509 OG1 THR A 31 -9.356 -3.823 -7.407 1.00 0.00 O ATOM 510 CG2 THR A 31 -11.159 -5.195 -8.224 1.00 0.00 C ATOM 0 H THR A 31 -9.978 -1.430 -7.273 1.00 0.00 H new ATOM 0 HA THR A 31 -11.361 -2.976 -9.376 1.00 0.00 H new ATOM 0 HB THR A 31 -11.219 -3.878 -6.524 1.00 0.00 H new ATOM 0 HG1 THR A 31 -9.095 -3.934 -6.469 1.00 0.00 H new ATOM 0 HG21 THR A 31 -10.794 -6.045 -7.648 1.00 0.00 H new ATOM 0 HG22 THR A 31 -12.244 -5.253 -8.309 1.00 0.00 H new ATOM 0 HG23 THR A 31 -10.715 -5.214 -9.219 1.00 0.00 H new ATOM 518 N PRO A 32 -13.753 -2.803 -8.383 1.00 0.00 N ATOM 519 CA PRO A 32 -15.118 -2.466 -7.936 1.00 0.00 C ATOM 520 C PRO A 32 -15.552 -3.296 -6.735 1.00 0.00 C ATOM 521 O PRO A 32 -16.017 -2.765 -5.726 1.00 0.00 O ATOM 522 CB PRO A 32 -15.964 -2.789 -9.160 1.00 0.00 C ATOM 523 CG PRO A 32 -15.188 -3.810 -9.980 1.00 0.00 C ATOM 524 CD PRO A 32 -13.727 -3.752 -9.524 1.00 0.00 C ATOM 0 HA PRO A 32 -15.207 -1.432 -7.602 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -16.934 -3.189 -8.864 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -16.155 -1.889 -9.745 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -15.596 -4.810 -9.833 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -15.267 -3.587 -11.044 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -13.363 -4.734 -9.220 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -13.072 -3.402 -10.322 1.00 0.00 H new ATOM 532 N ASN A 33 -15.381 -4.606 -6.854 1.00 0.00 N ATOM 533 CA ASN A 33 -15.742 -5.514 -5.774 1.00 0.00 C ATOM 534 C ASN A 33 -14.931 -5.203 -4.514 1.00 0.00 C ATOM 535 O ASN A 33 -15.358 -5.499 -3.398 1.00 0.00 O ATOM 536 CB ASN A 33 -15.485 -6.965 -6.185 1.00 0.00 C ATOM 537 CG ASN A 33 -16.078 -7.903 -5.140 1.00 0.00 C ATOM 538 OD1 ASN A 33 -15.410 -8.269 -4.173 1.00 0.00 O ATOM 539 ND2 ASN A 33 -17.308 -8.318 -5.278 1.00 0.00 N ATOM 0 H ASN A 33 -14.997 -5.061 -7.682 1.00 0.00 H new ATOM 0 HA ASN A 33 -16.803 -5.377 -5.564 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -15.930 -7.162 -7.160 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -14.414 -7.142 -6.282 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -17.715 -8.945 -4.585 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -17.862 -8.015 -6.079 1.00 0.00 H new ATOM 546 N CYS A 34 -13.755 -4.601 -4.705 1.00 0.00 N ATOM 547 CA CYS A 34 -12.892 -4.255 -3.573 1.00 0.00 C ATOM 548 C CYS A 34 -12.679 -2.744 -3.540 1.00 0.00 C ATOM 549 O CYS A 34 -13.102 -2.027 -4.447 1.00 0.00 O ATOM 550 CB CYS A 34 -11.513 -4.947 -3.669 1.00 0.00 C ATOM 551 SG CYS A 34 -11.675 -6.630 -4.340 1.00 0.00 S ATOM 0 H CYS A 34 -13.382 -4.346 -5.619 1.00 0.00 H new ATOM 0 HA CYS A 34 -13.387 -4.597 -2.664 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -10.851 -4.360 -4.305 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -11.053 -4.988 -2.682 1.00 0.00 H new ATOM 0 HG CYS A 34 -10.501 -7.184 -4.411 1.00 0.00 H new ATOM 556 N ALA A 35 -12.017 -2.267 -2.492 1.00 0.00 N ATOM 557 CA ALA A 35 -11.754 -0.836 -2.364 1.00 0.00 C ATOM 558 C ALA A 35 -10.452 -0.479 -3.076 1.00 0.00 C ATOM 559 O ALA A 35 -9.881 -1.296 -3.797 1.00 0.00 O ATOM 560 CB ALA A 35 -11.646 -0.441 -0.890 1.00 0.00 C ATOM 0 H ALA A 35 -11.657 -2.839 -1.728 1.00 0.00 H new ATOM 0 HA ALA A 35 -12.582 -0.293 -2.820 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -11.450 0.628 -0.813 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -12.581 -0.676 -0.381 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -10.830 -0.994 -0.424 1.00 0.00 H new ATOM 566 N LEU A 36 -9.982 0.748 -2.861 1.00 0.00 N ATOM 567 CA LEU A 36 -8.738 1.187 -3.485 1.00 0.00 C ATOM 568 C LEU A 36 -7.555 0.625 -2.711 1.00 0.00 C ATOM 569 O LEU A 36 -7.162 1.154 -1.671 1.00 0.00 O ATOM 570 CB LEU A 36 -8.649 2.715 -3.493 1.00 0.00 C ATOM 571 CG LEU A 36 -9.349 3.264 -4.742 1.00 0.00 C ATOM 572 CD1 LEU A 36 -10.760 3.729 -4.377 1.00 0.00 C ATOM 573 CD2 LEU A 36 -8.552 4.448 -5.295 1.00 0.00 C ATOM 0 H LEU A 36 -10.435 1.445 -2.270 1.00 0.00 H new ATOM 0 HA LEU A 36 -8.720 0.825 -4.513 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -9.114 3.121 -2.595 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -7.605 3.029 -3.481 1.00 0.00 H new ATOM 0 HG LEU A 36 -9.409 2.479 -5.496 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -11.256 4.119 -5.266 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -11.330 2.887 -3.983 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -10.701 4.512 -3.621 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -9.049 4.838 -6.183 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -8.492 5.231 -4.539 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -7.547 4.119 -5.558 1.00 0.00 H new ATOM 585 N GLN A 37 -6.998 -0.464 -3.228 1.00 0.00 N ATOM 586 CA GLN A 37 -5.860 -1.110 -2.577 1.00 0.00 C ATOM 587 C GLN A 37 -4.565 -0.616 -3.209 1.00 0.00 C ATOM 588 O GLN A 37 -4.239 -0.968 -4.345 1.00 0.00 O ATOM 589 CB GLN A 37 -5.927 -2.647 -2.703 1.00 0.00 C ATOM 590 CG GLN A 37 -7.388 -3.136 -2.672 1.00 0.00 C ATOM 591 CD GLN A 37 -7.530 -4.328 -1.735 1.00 0.00 C ATOM 592 OE1 GLN A 37 -6.774 -4.471 -0.775 1.00 0.00 O ATOM 593 NE2 GLN A 37 -8.476 -5.196 -1.959 1.00 0.00 N ATOM 0 H GLN A 37 -7.310 -0.916 -4.087 1.00 0.00 H new ATOM 0 HA GLN A 37 -5.892 -0.852 -1.518 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -5.453 -2.961 -3.633 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -5.367 -3.108 -1.889 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -8.042 -2.328 -2.344 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -7.706 -3.415 -3.677 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -9.101 -5.075 -2.756 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -8.591 -5.997 -1.338 1.00 0.00 H new ATOM 602 N ILE A 38 -3.838 0.219 -2.472 1.00 0.00 N ATOM 603 CA ILE A 38 -2.588 0.766 -2.986 1.00 0.00 C ATOM 604 C ILE A 38 -1.472 -0.268 -2.928 1.00 0.00 C ATOM 605 O ILE A 38 -1.092 -0.752 -1.859 1.00 0.00 O ATOM 606 CB ILE A 38 -2.158 2.002 -2.193 1.00 0.00 C ATOM 607 CG1 ILE A 38 -3.318 2.999 -2.134 1.00 0.00 C ATOM 608 CG2 ILE A 38 -0.955 2.657 -2.883 1.00 0.00 C ATOM 609 CD1 ILE A 38 -2.963 4.142 -1.181 1.00 0.00 C ATOM 0 H ILE A 38 -4.088 0.527 -1.532 1.00 0.00 H new ATOM 0 HA ILE A 38 -2.767 1.048 -4.024 1.00 0.00 H new ATOM 0 HB ILE A 38 -1.881 1.707 -1.181 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -3.524 3.392 -3.129 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -4.225 2.498 -1.795 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -0.647 3.538 -2.319 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -0.129 1.947 -2.926 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -1.232 2.952 -3.895 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -3.790 4.851 -1.140 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -2.779 3.741 -0.184 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -2.067 4.649 -1.539 1.00 0.00 H new ATOM 621 N VAL A 39 -0.930 -0.568 -4.099 1.00 0.00 N ATOM 622 CA VAL A 39 0.170 -1.515 -4.201 1.00 0.00 C ATOM 623 C VAL A 39 1.478 -0.742 -4.248 1.00 0.00 C ATOM 624 O VAL A 39 1.479 0.486 -4.345 1.00 0.00 O ATOM 625 CB VAL A 39 0.038 -2.387 -5.455 1.00 0.00 C ATOM 626 CG1 VAL A 39 -1.237 -3.227 -5.361 1.00 0.00 C ATOM 627 CG2 VAL A 39 -0.031 -1.498 -6.698 1.00 0.00 C ATOM 0 H VAL A 39 -1.233 -0.171 -4.989 1.00 0.00 H new ATOM 0 HA VAL A 39 0.149 -2.174 -3.333 1.00 0.00 H new ATOM 0 HB VAL A 39 0.905 -3.044 -5.528 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -1.331 -3.847 -6.253 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.188 -3.865 -4.479 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -2.102 -2.568 -5.285 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -0.125 -2.122 -7.587 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -0.895 -0.838 -6.625 1.00 0.00 H new ATOM 0 HG23 VAL A 39 0.878 -0.900 -6.769 1.00 0.00 H new ATOM 637 N ALA A 40 2.589 -1.455 -4.163 1.00 0.00 N ATOM 638 CA ALA A 40 3.887 -0.794 -4.183 1.00 0.00 C ATOM 639 C ALA A 40 5.002 -1.764 -4.522 1.00 0.00 C ATOM 640 O ALA A 40 4.778 -2.954 -4.736 1.00 0.00 O ATOM 641 CB ALA A 40 4.185 -0.183 -2.817 1.00 0.00 C ATOM 0 H ALA A 40 2.622 -2.471 -4.081 1.00 0.00 H new ATOM 0 HA ALA A 40 3.843 -0.020 -4.949 1.00 0.00 H new ATOM 0 HB1 ALA A 40 5.157 0.309 -2.843 1.00 0.00 H new ATOM 0 HB2 ALA A 40 3.415 0.548 -2.570 1.00 0.00 H new ATOM 0 HB3 ALA A 40 4.195 -0.969 -2.061 1.00 0.00 H new ATOM 647 N ARG A 41 6.215 -1.227 -4.551 1.00 0.00 N ATOM 648 CA ARG A 41 7.397 -2.028 -4.846 1.00 0.00 C ATOM 649 C ARG A 41 8.573 -1.549 -3.994 1.00 0.00 C ATOM 650 O ARG A 41 9.044 -0.419 -4.141 1.00 0.00 O ATOM 651 CB ARG A 41 7.755 -1.922 -6.328 1.00 0.00 C ATOM 652 CG ARG A 41 8.919 -2.867 -6.653 1.00 0.00 C ATOM 653 CD ARG A 41 8.377 -4.155 -7.277 1.00 0.00 C ATOM 654 NE ARG A 41 9.420 -4.836 -8.040 1.00 0.00 N ATOM 655 CZ ARG A 41 9.456 -6.163 -8.119 1.00 0.00 C ATOM 656 NH1 ARG A 41 8.356 -6.834 -8.322 1.00 0.00 N ATOM 657 NH2 ARG A 41 10.592 -6.793 -7.993 1.00 0.00 N ATOM 0 H ARG A 41 6.407 -0.241 -4.374 1.00 0.00 H new ATOM 0 HA ARG A 41 7.182 -3.070 -4.611 1.00 0.00 H new ATOM 0 HB2 ARG A 41 6.889 -2.175 -6.939 1.00 0.00 H new ATOM 0 HB3 ARG A 41 8.029 -0.896 -6.572 1.00 0.00 H new ATOM 0 HG2 ARG A 41 9.613 -2.382 -7.340 1.00 0.00 H new ATOM 0 HG3 ARG A 41 9.477 -3.098 -5.746 1.00 0.00 H new ATOM 0 HD2 ARG A 41 8.002 -4.815 -6.494 1.00 0.00 H new ATOM 0 HD3 ARG A 41 7.535 -3.923 -7.929 1.00 0.00 H new ATOM 0 HE ARG A 41 10.132 -4.285 -8.520 1.00 0.00 H new ATOM 0 HH11 ARG A 41 7.469 -6.341 -8.420 1.00 0.00 H new ATOM 0 HH12 ARG A 41 8.383 -7.852 -8.383 1.00 0.00 H new ATOM 0 HH21 ARG A 41 11.452 -6.268 -7.834 1.00 0.00 H new ATOM 0 HH22 ARG A 41 10.620 -7.811 -8.053 1.00 0.00 H new ATOM 671 N LEU A 42 9.026 -2.420 -3.085 1.00 0.00 N ATOM 672 CA LEU A 42 10.130 -2.083 -2.190 1.00 0.00 C ATOM 673 C LEU A 42 11.478 -2.225 -2.891 1.00 0.00 C ATOM 674 O LEU A 42 11.595 -2.884 -3.926 1.00 0.00 O ATOM 675 CB LEU A 42 10.117 -2.993 -0.960 1.00 0.00 C ATOM 676 CG LEU A 42 8.717 -3.012 -0.337 1.00 0.00 C ATOM 677 CD1 LEU A 42 8.703 -3.974 0.850 1.00 0.00 C ATOM 678 CD2 LEU A 42 8.349 -1.608 0.150 1.00 0.00 C ATOM 0 H LEU A 42 8.645 -3.357 -2.953 1.00 0.00 H new ATOM 0 HA LEU A 42 9.995 -1.045 -1.887 1.00 0.00 H new ATOM 0 HB2 LEU A 42 10.412 -4.004 -1.242 1.00 0.00 H new ATOM 0 HB3 LEU A 42 10.845 -2.641 -0.229 1.00 0.00 H new ATOM 0 HG LEU A 42 7.995 -3.338 -1.086 1.00 0.00 H new ATOM 0 HD11 LEU A 42 7.708 -3.989 1.295 1.00 0.00 H new ATOM 0 HD12 LEU A 42 8.963 -4.976 0.509 1.00 0.00 H new ATOM 0 HD13 LEU A 42 9.428 -3.644 1.594 1.00 0.00 H new ATOM 0 HD21 LEU A 42 7.353 -1.626 0.592 1.00 0.00 H new ATOM 0 HD22 LEU A 42 9.072 -1.281 0.897 1.00 0.00 H new ATOM 0 HD23 LEU A 42 8.360 -0.916 -0.692 1.00 0.00 H new ATOM 690 N LYS A 43 12.489 -1.579 -2.307 1.00 0.00 N ATOM 691 CA LYS A 43 13.841 -1.597 -2.861 1.00 0.00 C ATOM 692 C LYS A 43 14.778 -2.461 -2.020 1.00 0.00 C ATOM 693 O LYS A 43 15.574 -3.234 -2.553 1.00 0.00 O ATOM 694 CB LYS A 43 14.405 -0.172 -2.906 1.00 0.00 C ATOM 695 CG LYS A 43 14.017 0.499 -4.226 1.00 0.00 C ATOM 696 CD LYS A 43 15.200 1.312 -4.760 1.00 0.00 C ATOM 697 CE LYS A 43 16.300 0.363 -5.235 1.00 0.00 C ATOM 698 NZ LYS A 43 17.628 1.022 -5.075 1.00 0.00 N ATOM 0 H LYS A 43 12.395 -1.036 -1.449 1.00 0.00 H new ATOM 0 HA LYS A 43 13.778 -2.016 -3.865 1.00 0.00 H new ATOM 0 HB2 LYS A 43 14.021 0.407 -2.066 1.00 0.00 H new ATOM 0 HB3 LYS A 43 15.490 -0.197 -2.806 1.00 0.00 H new ATOM 0 HG2 LYS A 43 13.723 -0.255 -4.956 1.00 0.00 H new ATOM 0 HG3 LYS A 43 13.155 1.149 -4.075 1.00 0.00 H new ATOM 0 HD2 LYS A 43 14.875 1.949 -5.582 1.00 0.00 H new ATOM 0 HD3 LYS A 43 15.584 1.969 -3.980 1.00 0.00 H new ATOM 0 HE2 LYS A 43 16.270 -0.563 -4.660 1.00 0.00 H new ATOM 0 HE3 LYS A 43 16.138 0.095 -6.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 18.377 0.377 -5.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 17.654 1.894 -5.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 17.781 1.256 -4.073 1.00 0.00 H new ATOM 712 N ASN A 44 14.688 -2.307 -0.697 1.00 0.00 N ATOM 713 CA ASN A 44 15.543 -3.063 0.229 1.00 0.00 C ATOM 714 C ASN A 44 15.609 -4.544 -0.146 1.00 0.00 C ATOM 715 O ASN A 44 16.647 -5.191 -0.008 1.00 0.00 O ATOM 716 CB ASN A 44 15.019 -2.939 1.661 1.00 0.00 C ATOM 717 CG ASN A 44 16.089 -3.419 2.636 1.00 0.00 C ATOM 718 OD1 ASN A 44 16.873 -4.313 2.317 1.00 0.00 O ATOM 719 ND2 ASN A 44 16.169 -2.873 3.818 1.00 0.00 N ATOM 0 H ASN A 44 14.035 -1.669 -0.242 1.00 0.00 H new ATOM 0 HA ASN A 44 16.545 -2.639 0.160 1.00 0.00 H new ATOM 0 HB2 ASN A 44 14.755 -1.903 1.875 1.00 0.00 H new ATOM 0 HB3 ASN A 44 14.111 -3.530 1.780 1.00 0.00 H new ATOM 0 HD21 ASN A 44 16.881 -3.187 4.478 1.00 0.00 H new ATOM 0 HD22 ASN A 44 15.520 -2.132 4.083 1.00 0.00 H new ATOM 726 N ASN A 45 14.486 -5.066 -0.621 1.00 0.00 N ATOM 727 CA ASN A 45 14.416 -6.472 -1.018 1.00 0.00 C ATOM 728 C ASN A 45 14.104 -6.614 -2.510 1.00 0.00 C ATOM 729 O ASN A 45 14.418 -7.632 -3.125 1.00 0.00 O ATOM 730 CB ASN A 45 13.343 -7.202 -0.208 1.00 0.00 C ATOM 731 CG ASN A 45 11.977 -6.564 -0.440 1.00 0.00 C ATOM 732 OD1 ASN A 45 11.530 -6.432 -1.579 1.00 0.00 O ATOM 733 ND2 ASN A 45 11.279 -6.159 0.583 1.00 0.00 N ATOM 0 H ASN A 45 13.617 -4.546 -0.741 1.00 0.00 H new ATOM 0 HA ASN A 45 15.391 -6.917 -0.820 1.00 0.00 H new ATOM 0 HB2 ASN A 45 13.314 -8.253 -0.495 1.00 0.00 H new ATOM 0 HB3 ASN A 45 13.592 -7.168 0.853 1.00 0.00 H new ATOM 0 HD21 ASN A 45 10.363 -5.733 0.439 1.00 0.00 H new ATOM 0 HD22 ASN A 45 11.648 -6.268 1.528 1.00 0.00 H new ATOM 740 N ASN A 46 13.466 -5.587 -3.079 1.00 0.00 N ATOM 741 CA ASN A 46 13.091 -5.599 -4.498 1.00 0.00 C ATOM 742 C ASN A 46 11.899 -6.526 -4.704 1.00 0.00 C ATOM 743 O ASN A 46 12.019 -7.611 -5.276 1.00 0.00 O ATOM 744 CB ASN A 46 14.254 -6.053 -5.398 1.00 0.00 C ATOM 745 CG ASN A 46 15.534 -5.325 -4.995 1.00 0.00 C ATOM 746 OD1 ASN A 46 16.283 -5.800 -4.141 1.00 0.00 O ATOM 747 ND2 ASN A 46 15.831 -4.189 -5.564 1.00 0.00 N ATOM 0 H ASN A 46 13.198 -4.738 -2.581 1.00 0.00 H new ATOM 0 HA ASN A 46 12.830 -4.579 -4.779 1.00 0.00 H new ATOM 0 HB2 ASN A 46 14.395 -7.130 -5.311 1.00 0.00 H new ATOM 0 HB3 ASN A 46 14.020 -5.846 -6.442 1.00 0.00 H new ATOM 0 HD21 ASN A 46 16.684 -3.695 -5.301 1.00 0.00 H new ATOM 0 HD22 ASN A 46 15.211 -3.795 -6.272 1.00 0.00 H new ATOM 754 N ARG A 47 10.742 -6.082 -4.220 1.00 0.00 N ATOM 755 CA ARG A 47 9.520 -6.874 -4.342 1.00 0.00 C ATOM 756 C ARG A 47 8.295 -5.969 -4.298 1.00 0.00 C ATOM 757 O ARG A 47 8.394 -4.791 -3.961 1.00 0.00 O ATOM 758 CB ARG A 47 9.426 -7.896 -3.205 1.00 0.00 C ATOM 759 CG ARG A 47 10.599 -8.874 -3.297 1.00 0.00 C ATOM 760 CD ARG A 47 10.336 -10.076 -2.388 1.00 0.00 C ATOM 761 NE ARG A 47 9.733 -11.171 -3.144 1.00 0.00 N ATOM 762 CZ ARG A 47 10.481 -12.148 -3.650 1.00 0.00 C ATOM 763 NH1 ARG A 47 10.956 -13.079 -2.868 1.00 0.00 N ATOM 764 NH2 ARG A 47 10.740 -12.177 -4.929 1.00 0.00 N ATOM 0 H ARG A 47 10.624 -5.187 -3.744 1.00 0.00 H new ATOM 0 HA ARG A 47 9.553 -7.398 -5.297 1.00 0.00 H new ATOM 0 HB2 ARG A 47 9.439 -7.386 -2.242 1.00 0.00 H new ATOM 0 HB3 ARG A 47 8.482 -8.438 -3.266 1.00 0.00 H new ATOM 0 HG2 ARG A 47 10.729 -9.206 -4.327 1.00 0.00 H new ATOM 0 HG3 ARG A 47 11.524 -8.378 -3.002 1.00 0.00 H new ATOM 0 HD2 ARG A 47 11.271 -10.410 -1.938 1.00 0.00 H new ATOM 0 HD3 ARG A 47 9.676 -9.784 -1.572 1.00 0.00 H new ATOM 0 HE ARG A 47 8.723 -11.187 -3.286 1.00 0.00 H new ATOM 0 HH11 ARG A 47 10.754 -13.058 -1.868 1.00 0.00 H new ATOM 0 HH12 ARG A 47 11.529 -13.828 -3.256 1.00 0.00 H new ATOM 0 HH21 ARG A 47 10.369 -11.450 -5.541 1.00 0.00 H new ATOM 0 HH22 ARG A 47 11.314 -12.926 -5.316 1.00 0.00 H new ATOM 778 N GLN A 48 7.139 -6.531 -4.646 1.00 0.00 N ATOM 779 CA GLN A 48 5.897 -5.761 -4.650 1.00 0.00 C ATOM 780 C GLN A 48 5.113 -5.984 -3.358 1.00 0.00 C ATOM 781 O GLN A 48 4.973 -7.113 -2.889 1.00 0.00 O ATOM 782 CB GLN A 48 5.023 -6.170 -5.840 1.00 0.00 C ATOM 783 CG GLN A 48 3.829 -5.220 -5.952 1.00 0.00 C ATOM 784 CD GLN A 48 2.671 -5.937 -6.638 1.00 0.00 C ATOM 785 OE1 GLN A 48 2.867 -6.635 -7.633 1.00 0.00 O ATOM 786 NE2 GLN A 48 1.463 -5.806 -6.161 1.00 0.00 N ATOM 0 H GLN A 48 7.036 -7.506 -4.926 1.00 0.00 H new ATOM 0 HA GLN A 48 6.159 -4.706 -4.731 1.00 0.00 H new ATOM 0 HB2 GLN A 48 5.608 -6.144 -6.759 1.00 0.00 H new ATOM 0 HB3 GLN A 48 4.674 -7.195 -5.712 1.00 0.00 H new ATOM 0 HG2 GLN A 48 3.526 -4.882 -4.961 1.00 0.00 H new ATOM 0 HG3 GLN A 48 4.109 -4.333 -6.520 1.00 0.00 H new ATOM 0 HE21 GLN A 48 1.300 -5.228 -5.337 1.00 0.00 H new ATOM 0 HE22 GLN A 48 0.682 -6.282 -6.613 1.00 0.00 H new ATOM 795 N VAL A 49 4.598 -4.891 -2.790 1.00 0.00 N ATOM 796 CA VAL A 49 3.822 -4.988 -1.549 1.00 0.00 C ATOM 797 C VAL A 49 2.771 -3.892 -1.479 1.00 0.00 C ATOM 798 O VAL A 49 2.947 -2.807 -2.025 1.00 0.00 O ATOM 799 CB VAL A 49 4.720 -4.842 -0.322 1.00 0.00 C ATOM 800 CG1 VAL A 49 5.619 -6.065 -0.185 1.00 0.00 C ATOM 801 CG2 VAL A 49 5.575 -3.583 -0.470 1.00 0.00 C ATOM 0 H VAL A 49 4.700 -3.946 -3.159 1.00 0.00 H new ATOM 0 HA VAL A 49 3.349 -5.970 -1.553 1.00 0.00 H new ATOM 0 HB VAL A 49 4.101 -4.760 0.571 1.00 0.00 H new ATOM 0 HG11 VAL A 49 6.256 -5.952 0.692 1.00 0.00 H new ATOM 0 HG12 VAL A 49 5.004 -6.958 -0.075 1.00 0.00 H new ATOM 0 HG13 VAL A 49 6.241 -6.161 -1.075 1.00 0.00 H new ATOM 0 HG21 VAL A 49 6.218 -3.475 0.404 1.00 0.00 H new ATOM 0 HG22 VAL A 49 6.191 -3.665 -1.366 1.00 0.00 H new ATOM 0 HG23 VAL A 49 4.927 -2.711 -0.554 1.00 0.00 H new ATOM 811 N CYS A 50 1.690 -4.178 -0.764 1.00 0.00 N ATOM 812 CA CYS A 50 0.628 -3.196 -0.590 1.00 0.00 C ATOM 813 C CYS A 50 0.944 -2.341 0.627 1.00 0.00 C ATOM 814 O CYS A 50 1.082 -2.858 1.735 1.00 0.00 O ATOM 815 CB CYS A 50 -0.723 -3.886 -0.385 1.00 0.00 C ATOM 816 SG CYS A 50 -1.035 -5.038 -1.749 1.00 0.00 S ATOM 0 H CYS A 50 1.526 -5.072 -0.300 1.00 0.00 H new ATOM 0 HA CYS A 50 0.568 -2.578 -1.486 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -0.728 -4.422 0.564 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -1.518 -3.142 -0.336 1.00 0.00 H new ATOM 821 N ILE A 51 1.074 -1.034 0.422 1.00 0.00 N ATOM 822 CA ILE A 51 1.389 -0.156 1.545 1.00 0.00 C ATOM 823 C ILE A 51 0.115 0.314 2.216 1.00 0.00 C ATOM 824 O ILE A 51 -0.951 0.364 1.602 1.00 0.00 O ATOM 825 CB ILE A 51 2.229 1.055 1.119 1.00 0.00 C ATOM 826 CG1 ILE A 51 3.381 0.579 0.227 1.00 0.00 C ATOM 827 CG2 ILE A 51 2.807 1.710 2.377 1.00 0.00 C ATOM 828 CD1 ILE A 51 4.274 1.750 -0.196 1.00 0.00 C ATOM 0 H ILE A 51 0.970 -0.570 -0.480 1.00 0.00 H new ATOM 0 HA ILE A 51 1.983 -0.737 2.250 1.00 0.00 H new ATOM 0 HB ILE A 51 1.613 1.768 0.571 1.00 0.00 H new ATOM 0 HG12 ILE A 51 3.976 -0.161 0.761 1.00 0.00 H new ATOM 0 HG13 ILE A 51 2.979 0.086 -0.658 1.00 0.00 H new ATOM 0 HG21 ILE A 51 3.408 2.574 2.094 1.00 0.00 H new ATOM 0 HG22 ILE A 51 1.993 2.031 3.027 1.00 0.00 H new ATOM 0 HG23 ILE A 51 3.432 0.991 2.907 1.00 0.00 H new ATOM 0 HD11 ILE A 51 5.082 1.382 -0.828 1.00 0.00 H new ATOM 0 HD12 ILE A 51 3.682 2.477 -0.752 1.00 0.00 H new ATOM 0 HD13 ILE A 51 4.694 2.226 0.690 1.00 0.00 H new ATOM 840 N ASP A 52 0.234 0.632 3.496 1.00 0.00 N ATOM 841 CA ASP A 52 -0.917 1.066 4.270 1.00 0.00 C ATOM 842 C ASP A 52 -1.256 2.527 3.951 1.00 0.00 C ATOM 843 O ASP A 52 -0.358 3.352 3.791 1.00 0.00 O ATOM 844 CB ASP A 52 -0.616 0.934 5.767 1.00 0.00 C ATOM 845 CG ASP A 52 -1.850 0.416 6.500 1.00 0.00 C ATOM 846 OD1 ASP A 52 -2.272 -0.689 6.199 1.00 0.00 O ATOM 847 OD2 ASP A 52 -2.355 1.131 7.349 1.00 0.00 O ATOM 0 H ASP A 52 1.110 0.598 4.017 1.00 0.00 H new ATOM 0 HA ASP A 52 -1.767 0.436 4.008 1.00 0.00 H new ATOM 0 HB2 ASP A 52 0.221 0.253 5.920 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -0.319 1.901 6.174 1.00 0.00 H new ATOM 852 N PRO A 53 -2.552 2.870 3.855 1.00 0.00 N ATOM 853 CA PRO A 53 -2.975 4.253 3.557 1.00 0.00 C ATOM 854 C PRO A 53 -2.808 5.174 4.761 1.00 0.00 C ATOM 855 O PRO A 53 -2.656 6.387 4.617 1.00 0.00 O ATOM 856 CB PRO A 53 -4.444 4.095 3.188 1.00 0.00 C ATOM 857 CG PRO A 53 -4.924 2.810 3.838 1.00 0.00 C ATOM 858 CD PRO A 53 -3.690 1.930 4.045 1.00 0.00 C ATOM 0 HA PRO A 53 -2.377 4.712 2.770 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -5.025 4.947 3.541 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -4.568 4.051 2.106 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -5.414 3.018 4.789 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -5.656 2.307 3.206 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -3.679 1.483 5.039 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -3.657 1.111 3.327 1.00 0.00 H new ATOM 866 N LYS A 54 -2.826 4.579 5.951 1.00 0.00 N ATOM 867 CA LYS A 54 -2.663 5.351 7.175 1.00 0.00 C ATOM 868 C LYS A 54 -1.180 5.572 7.500 1.00 0.00 C ATOM 869 O LYS A 54 -0.850 6.148 8.536 1.00 0.00 O ATOM 870 CB LYS A 54 -3.328 4.630 8.351 1.00 0.00 C ATOM 871 CG LYS A 54 -3.946 5.659 9.303 1.00 0.00 C ATOM 872 CD LYS A 54 -2.934 6.021 10.392 1.00 0.00 C ATOM 873 CE LYS A 54 -3.679 6.401 11.673 1.00 0.00 C ATOM 874 NZ LYS A 54 -2.851 6.030 12.856 1.00 0.00 N ATOM 0 H LYS A 54 -2.950 3.576 6.091 1.00 0.00 H new ATOM 0 HA LYS A 54 -3.138 6.319 7.018 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -4.097 3.950 7.985 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -2.593 4.024 8.882 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -4.237 6.553 8.750 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -4.852 5.254 9.754 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -2.270 5.178 10.581 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -2.309 6.851 10.062 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -3.887 7.471 11.682 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -4.640 5.889 11.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -3.356 6.288 13.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -2.674 5.005 12.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -1.944 6.538 12.818 1.00 0.00 H new ATOM 888 N LEU A 55 -0.279 5.116 6.613 1.00 0.00 N ATOM 889 CA LEU A 55 1.152 5.294 6.852 1.00 0.00 C ATOM 890 C LEU A 55 1.482 6.772 6.962 1.00 0.00 C ATOM 891 O LEU A 55 0.818 7.615 6.372 1.00 0.00 O ATOM 892 CB LEU A 55 1.989 4.660 5.734 1.00 0.00 C ATOM 893 CG LEU A 55 2.581 3.319 6.205 1.00 0.00 C ATOM 894 CD1 LEU A 55 3.468 2.735 5.104 1.00 0.00 C ATOM 895 CD2 LEU A 55 3.425 3.525 7.470 1.00 0.00 C ATOM 0 H LEU A 55 -0.514 4.633 5.746 1.00 0.00 H new ATOM 0 HA LEU A 55 1.399 4.794 7.788 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.369 4.502 4.851 1.00 0.00 H new ATOM 0 HB3 LEU A 55 2.792 5.337 5.443 1.00 0.00 H new ATOM 0 HG LEU A 55 1.762 2.634 6.426 1.00 0.00 H new ATOM 0 HD11 LEU A 55 3.886 1.786 5.439 1.00 0.00 H new ATOM 0 HD12 LEU A 55 2.873 2.572 4.205 1.00 0.00 H new ATOM 0 HD13 LEU A 55 4.278 3.430 4.882 1.00 0.00 H new ATOM 0 HD21 LEU A 55 3.837 2.569 7.792 1.00 0.00 H new ATOM 0 HD22 LEU A 55 4.239 4.217 7.256 1.00 0.00 H new ATOM 0 HD23 LEU A 55 2.799 3.935 8.262 1.00 0.00 H new ATOM 907 N LYS A 56 2.497 7.073 7.751 1.00 0.00 N ATOM 908 CA LYS A 56 2.884 8.460 7.971 1.00 0.00 C ATOM 909 C LYS A 56 3.375 9.127 6.699 1.00 0.00 C ATOM 910 O LYS A 56 3.015 10.271 6.416 1.00 0.00 O ATOM 911 CB LYS A 56 3.967 8.561 9.050 1.00 0.00 C ATOM 912 CG LYS A 56 5.190 7.737 8.639 1.00 0.00 C ATOM 913 CD LYS A 56 5.912 7.234 9.891 1.00 0.00 C ATOM 914 CE LYS A 56 6.556 8.415 10.622 1.00 0.00 C ATOM 915 NZ LYS A 56 7.991 8.514 10.234 1.00 0.00 N ATOM 0 H LYS A 56 3.065 6.386 8.247 1.00 0.00 H new ATOM 0 HA LYS A 56 1.988 8.984 8.305 1.00 0.00 H new ATOM 0 HB2 LYS A 56 4.252 9.603 9.195 1.00 0.00 H new ATOM 0 HB3 LYS A 56 3.578 8.201 10.003 1.00 0.00 H new ATOM 0 HG2 LYS A 56 4.882 6.894 8.021 1.00 0.00 H new ATOM 0 HG3 LYS A 56 5.865 8.345 8.037 1.00 0.00 H new ATOM 0 HD2 LYS A 56 5.208 6.726 10.550 1.00 0.00 H new ATOM 0 HD3 LYS A 56 6.674 6.505 9.615 1.00 0.00 H new ATOM 0 HE2 LYS A 56 6.036 9.339 10.372 1.00 0.00 H new ATOM 0 HE3 LYS A 56 6.468 8.281 11.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 8.430 9.316 10.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 8.482 7.635 10.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 8.064 8.660 9.207 1.00 0.00 H new ATOM 929 N TRP A 57 4.199 8.425 5.938 1.00 0.00 N ATOM 930 CA TRP A 57 4.715 9.006 4.710 1.00 0.00 C ATOM 931 C TRP A 57 3.691 8.906 3.588 1.00 0.00 C ATOM 932 O TRP A 57 3.722 9.695 2.642 1.00 0.00 O ATOM 933 CB TRP A 57 6.037 8.352 4.290 1.00 0.00 C ATOM 934 CG TRP A 57 5.849 6.915 3.914 1.00 0.00 C ATOM 935 CD1 TRP A 57 5.883 5.863 4.766 1.00 0.00 C ATOM 936 CD2 TRP A 57 5.619 6.361 2.590 1.00 0.00 C ATOM 937 NE1 TRP A 57 5.716 4.698 4.039 1.00 0.00 N ATOM 938 CE2 TRP A 57 5.543 4.955 2.694 1.00 0.00 C ATOM 939 CE3 TRP A 57 5.476 6.942 1.322 1.00 0.00 C ATOM 940 CZ2 TRP A 57 5.337 4.153 1.573 1.00 0.00 C ATOM 941 CZ3 TRP A 57 5.262 6.139 0.190 1.00 0.00 C ATOM 942 CH2 TRP A 57 5.196 4.746 0.316 1.00 0.00 C ATOM 0 H TRP A 57 4.518 7.478 6.141 1.00 0.00 H new ATOM 0 HA TRP A 57 4.911 10.060 4.906 1.00 0.00 H new ATOM 0 HB2 TRP A 57 6.460 8.897 3.446 1.00 0.00 H new ATOM 0 HB3 TRP A 57 6.754 8.423 5.108 1.00 0.00 H new ATOM 0 HD1 TRP A 57 6.018 5.923 5.836 1.00 0.00 H new ATOM 0 HE1 TRP A 57 5.720 3.763 4.447 1.00 0.00 H new ATOM 0 HE3 TRP A 57 5.531 8.015 1.215 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 5.287 3.079 1.675 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 5.148 6.597 -0.781 1.00 0.00 H new ATOM 0 HH2 TRP A 57 5.036 4.131 -0.557 1.00 0.00 H new ATOM 953 N ILE A 58 2.776 7.940 3.691 1.00 0.00 N ATOM 954 CA ILE A 58 1.768 7.799 2.660 1.00 0.00 C ATOM 955 C ILE A 58 0.694 8.885 2.804 1.00 0.00 C ATOM 956 O ILE A 58 -0.047 9.137 1.861 1.00 0.00 O ATOM 957 CB ILE A 58 1.171 6.370 2.633 1.00 0.00 C ATOM 958 CG1 ILE A 58 2.203 5.475 1.902 1.00 0.00 C ATOM 959 CG2 ILE A 58 -0.196 6.347 1.896 1.00 0.00 C ATOM 960 CD1 ILE A 58 1.568 4.194 1.336 1.00 0.00 C ATOM 0 H ILE A 58 2.718 7.267 4.455 1.00 0.00 H new ATOM 0 HA ILE A 58 2.247 7.943 1.692 1.00 0.00 H new ATOM 0 HB ILE A 58 0.984 6.010 3.645 1.00 0.00 H new ATOM 0 HG12 ILE A 58 2.660 6.040 1.090 1.00 0.00 H new ATOM 0 HG13 ILE A 58 3.002 5.207 2.593 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.591 5.331 1.893 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.896 7.007 2.408 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -0.062 6.687 0.869 1.00 0.00 H new ATOM 0 HD11 ILE A 58 2.332 3.601 0.833 1.00 0.00 H new ATOM 0 HD12 ILE A 58 1.134 3.613 2.150 1.00 0.00 H new ATOM 0 HD13 ILE A 58 0.787 4.459 0.623 1.00 0.00 H new ATOM 972 N GLN A 59 0.618 9.551 3.966 1.00 0.00 N ATOM 973 CA GLN A 59 -0.369 10.620 4.117 1.00 0.00 C ATOM 974 C GLN A 59 -0.013 11.748 3.168 1.00 0.00 C ATOM 975 O GLN A 59 -0.872 12.340 2.513 1.00 0.00 O ATOM 976 CB GLN A 59 -0.389 11.175 5.545 1.00 0.00 C ATOM 977 CG GLN A 59 -0.473 10.021 6.540 1.00 0.00 C ATOM 978 CD GLN A 59 -1.579 10.286 7.559 1.00 0.00 C ATOM 979 OE1 GLN A 59 -1.309 10.722 8.678 1.00 0.00 O ATOM 980 NE2 GLN A 59 -2.820 10.046 7.235 1.00 0.00 N ATOM 0 H GLN A 59 1.204 9.376 4.782 1.00 0.00 H new ATOM 0 HA GLN A 59 -1.353 10.208 3.894 1.00 0.00 H new ATOM 0 HB2 GLN A 59 0.509 11.764 5.730 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -1.240 11.843 5.675 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -0.671 9.089 6.011 1.00 0.00 H new ATOM 0 HG3 GLN A 59 0.482 9.901 7.051 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -3.044 9.685 6.308 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -3.566 10.220 7.909 1.00 0.00 H new ATOM 989 N GLU A 60 1.281 12.017 3.100 1.00 0.00 N ATOM 990 CA GLU A 60 1.787 13.063 2.216 1.00 0.00 C ATOM 991 C GLU A 60 1.597 12.644 0.762 1.00 0.00 C ATOM 992 O GLU A 60 1.257 13.457 -0.098 1.00 0.00 O ATOM 993 CB GLU A 60 3.275 13.313 2.479 1.00 0.00 C ATOM 994 CG GLU A 60 3.589 14.799 2.287 1.00 0.00 C ATOM 995 CD GLU A 60 5.050 15.060 2.636 1.00 0.00 C ATOM 996 OE1 GLU A 60 5.882 14.917 1.754 1.00 0.00 O ATOM 997 OE2 GLU A 60 5.315 15.398 3.777 1.00 0.00 O ATOM 0 H GLU A 60 1.998 11.532 3.640 1.00 0.00 H new ATOM 0 HA GLU A 60 1.232 13.981 2.411 1.00 0.00 H new ATOM 0 HB2 GLU A 60 3.532 13.005 3.492 1.00 0.00 H new ATOM 0 HB3 GLU A 60 3.880 12.713 1.800 1.00 0.00 H new ATOM 0 HG2 GLU A 60 3.392 15.093 1.256 1.00 0.00 H new ATOM 0 HG3 GLU A 60 2.939 15.403 2.920 1.00 0.00 H new ATOM 1004 N TYR A 61 1.812 11.355 0.505 1.00 0.00 N ATOM 1005 CA TYR A 61 1.656 10.809 -0.842 1.00 0.00 C ATOM 1006 C TYR A 61 0.180 10.854 -1.246 1.00 0.00 C ATOM 1007 O TYR A 61 -0.181 11.396 -2.292 1.00 0.00 O ATOM 1008 CB TYR A 61 2.196 9.355 -0.873 1.00 0.00 C ATOM 1009 CG TYR A 61 1.613 8.550 -2.019 1.00 0.00 C ATOM 1010 CD1 TYR A 61 1.653 9.040 -3.329 1.00 0.00 C ATOM 1011 CD2 TYR A 61 1.017 7.317 -1.752 1.00 0.00 C ATOM 1012 CE1 TYR A 61 1.099 8.288 -4.373 1.00 0.00 C ATOM 1013 CE2 TYR A 61 0.461 6.565 -2.788 1.00 0.00 C ATOM 1014 CZ TYR A 61 0.502 7.049 -4.101 1.00 0.00 C ATOM 1015 OH TYR A 61 -0.048 6.308 -5.128 1.00 0.00 O ATOM 0 H TYR A 61 2.093 10.672 1.208 1.00 0.00 H new ATOM 0 HA TYR A 61 2.225 11.406 -1.554 1.00 0.00 H new ATOM 0 HB2 TYR A 61 3.282 9.375 -0.961 1.00 0.00 H new ATOM 0 HB3 TYR A 61 1.962 8.862 0.071 1.00 0.00 H new ATOM 0 HD1 TYR A 61 2.110 9.996 -3.535 1.00 0.00 H new ATOM 0 HD2 TYR A 61 0.986 6.943 -0.739 1.00 0.00 H new ATOM 0 HE1 TYR A 61 1.132 8.662 -5.386 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -0.000 5.611 -2.577 1.00 0.00 H new ATOM 0 HH TYR A 61 0.017 5.354 -4.914 1.00 0.00 H new ATOM 1025 N LEU A 62 -0.662 10.272 -0.403 1.00 0.00 N ATOM 1026 CA LEU A 62 -2.093 10.240 -0.668 1.00 0.00 C ATOM 1027 C LEU A 62 -2.655 11.659 -0.735 1.00 0.00 C ATOM 1028 O LEU A 62 -3.655 11.917 -1.404 1.00 0.00 O ATOM 1029 CB LEU A 62 -2.809 9.458 0.437 1.00 0.00 C ATOM 1030 CG LEU A 62 -3.866 8.537 -0.178 1.00 0.00 C ATOM 1031 CD1 LEU A 62 -4.116 7.350 0.755 1.00 0.00 C ATOM 1032 CD2 LEU A 62 -5.170 9.315 -0.371 1.00 0.00 C ATOM 0 H LEU A 62 -0.381 9.818 0.466 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.258 9.749 -1.627 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -2.088 8.870 1.004 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -3.279 10.149 1.137 1.00 0.00 H new ATOM 0 HG LEU A 62 -3.512 8.173 -1.142 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -4.869 6.695 0.316 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -3.188 6.795 0.894 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -4.469 7.714 1.720 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -5.923 8.660 -0.809 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -5.523 9.679 0.594 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -4.994 10.161 -1.036 1.00 0.00 H new ATOM 1044 N GLU A 63 -1.995 12.577 -0.031 1.00 0.00 N ATOM 1045 CA GLU A 63 -2.432 13.971 -0.017 1.00 0.00 C ATOM 1046 C GLU A 63 -2.165 14.625 -1.369 1.00 0.00 C ATOM 1047 O GLU A 63 -2.982 15.396 -1.873 1.00 0.00 O ATOM 1048 CB GLU A 63 -1.693 14.753 1.071 1.00 0.00 C ATOM 1049 CG GLU A 63 -2.479 14.674 2.381 1.00 0.00 C ATOM 1050 CD GLU A 63 -3.722 15.551 2.284 1.00 0.00 C ATOM 1051 OE1 GLU A 63 -4.704 15.094 1.723 1.00 0.00 O ATOM 1052 OE2 GLU A 63 -3.674 16.668 2.773 1.00 0.00 O ATOM 0 H GLU A 63 -1.166 12.384 0.531 1.00 0.00 H new ATOM 0 HA GLU A 63 -3.502 13.987 0.190 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -0.692 14.345 1.210 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -1.574 15.793 0.768 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -2.765 13.642 2.584 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -1.854 15.001 3.212 1.00 0.00 H new ATOM 1059 N LYS A 64 -1.010 14.309 -1.948 1.00 0.00 N ATOM 1060 CA LYS A 64 -0.640 14.873 -3.246 1.00 0.00 C ATOM 1061 C LYS A 64 -1.295 14.084 -4.378 1.00 0.00 C ATOM 1062 O LYS A 64 -1.618 14.635 -5.431 1.00 0.00 O ATOM 1063 CB LYS A 64 0.882 14.858 -3.432 1.00 0.00 C ATOM 1064 CG LYS A 64 1.412 13.425 -3.320 1.00 0.00 C ATOM 1065 CD LYS A 64 2.891 13.394 -3.707 1.00 0.00 C ATOM 1066 CE LYS A 64 3.028 13.547 -5.223 1.00 0.00 C ATOM 1067 NZ LYS A 64 4.436 13.272 -5.625 1.00 0.00 N ATOM 0 H LYS A 64 -0.321 13.674 -1.546 1.00 0.00 H new ATOM 0 HA LYS A 64 -0.992 15.904 -3.274 1.00 0.00 H new ATOM 0 HB2 LYS A 64 1.141 15.275 -4.405 1.00 0.00 H new ATOM 0 HB3 LYS A 64 1.354 15.489 -2.679 1.00 0.00 H new ATOM 0 HG2 LYS A 64 1.284 13.058 -2.302 1.00 0.00 H new ATOM 0 HG3 LYS A 64 0.841 12.763 -3.971 1.00 0.00 H new ATOM 0 HD2 LYS A 64 3.427 14.197 -3.200 1.00 0.00 H new ATOM 0 HD3 LYS A 64 3.342 12.456 -3.384 1.00 0.00 H new ATOM 0 HE2 LYS A 64 2.353 12.859 -5.731 1.00 0.00 H new ATOM 0 HE3 LYS A 64 2.743 14.555 -5.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 4.529 13.376 -6.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 5.070 13.945 -5.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 4.692 12.302 -5.350 1.00 0.00 H new ATOM 1081 N ALA A 65 -1.487 12.787 -4.149 1.00 0.00 N ATOM 1082 CA ALA A 65 -2.106 11.928 -5.157 1.00 0.00 C ATOM 1083 C ALA A 65 -3.516 12.412 -5.481 1.00 0.00 C ATOM 1084 O ALA A 65 -3.992 12.272 -6.608 1.00 0.00 O ATOM 1085 CB ALA A 65 -2.178 10.484 -4.657 1.00 0.00 C ATOM 0 H ALA A 65 -1.227 12.311 -3.285 1.00 0.00 H new ATOM 0 HA ALA A 65 -1.493 11.972 -6.057 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -2.641 9.858 -5.419 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -1.172 10.120 -4.451 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -2.772 10.444 -3.744 1.00 0.00 H new