USER MOD reduce.3.24.130724 H: found=0, std=0, add=490, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 491 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 53 ASN :FLIP amide:sc= 0 X(o=-0.23,f=-0.028) USER MOD Set 1.2: A 57 ASN : amide:sc= -0.0276 X(o=-0.028,f=-0.23) USER MOD Single : A 11 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 ASN : amide:sc= -0.0423 X(o=-0.042,f=-0.53) USER MOD Single : A 19 LYS NZ :NH3+ -166:sc= 0.527 (180deg=0.293) USER MOD Single : A 20 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=-0.019) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ -155:sc= -0.0615 (180deg=-0.301) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 GLN : amide:sc=-0.00898 X(o=-0.009,f=0) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 88:sc= 1.26 USER MOD Single : A 49 ASN : amide:sc= -0.0108 X(o=-0.011,f=-0.11) USER MOD Single : A 55 THR OG1 : rot 83:sc= 1.18 USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 ASN : amide:sc= -0.106 X(o=-0.11,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 156:sc= 0 (180deg=-0.0407) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ -165:sc=-0.00267 (180deg=-0.0556) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 139 N ASN A 11 5.433 41.309 -12.374 1.00 0.00 N ATOM 140 CA ASN A 11 6.354 40.579 -11.510 1.00 0.00 C ATOM 141 C ASN A 11 5.591 39.762 -10.470 1.00 0.00 C ATOM 142 O ASN A 11 6.056 38.710 -10.032 1.00 0.00 O ATOM 143 CB ASN A 11 7.310 41.547 -10.813 1.00 0.00 C ATOM 144 CG ASN A 11 8.543 41.843 -11.644 1.00 0.00 C ATOM 145 OD1 ASN A 11 9.596 41.234 -11.453 1.00 0.00 O ATOM 146 ND2 ASN A 11 8.416 42.781 -12.577 1.00 0.00 N ATOM 0 HA ASN A 11 6.932 39.895 -12.132 1.00 0.00 H new ATOM 0 HB2 ASN A 11 6.787 42.479 -10.600 1.00 0.00 H new ATOM 0 HB3 ASN A 11 7.614 41.126 -9.855 1.00 0.00 H new ATOM 0 HD21 ASN A 11 9.210 43.022 -13.170 1.00 0.00 H new ATOM 0 HD22 ASN A 11 7.524 43.260 -12.700 1.00 0.00 H new ATOM 153 N GLN A 12 4.419 40.255 -10.083 1.00 0.00 N ATOM 154 CA GLN A 12 3.593 39.571 -9.095 1.00 0.00 C ATOM 155 C GLN A 12 3.272 38.149 -9.545 1.00 0.00 C ATOM 156 O GLN A 12 3.355 37.205 -8.759 1.00 0.00 O ATOM 157 CB GLN A 12 2.297 40.348 -8.856 1.00 0.00 C ATOM 158 CG GLN A 12 1.523 40.644 -10.131 1.00 0.00 C ATOM 159 CD GLN A 12 0.349 41.575 -9.896 1.00 0.00 C ATOM 160 OE1 GLN A 12 -0.726 41.144 -9.478 1.00 0.00 O ATOM 161 NE2 GLN A 12 0.549 42.860 -10.166 1.00 0.00 N ATOM 0 H GLN A 12 4.020 41.124 -10.438 1.00 0.00 H new ATOM 0 HA GLN A 12 4.154 39.520 -8.162 1.00 0.00 H new ATOM 0 HB2 GLN A 12 1.661 39.778 -8.178 1.00 0.00 H new ATOM 0 HB3 GLN A 12 2.533 41.288 -8.357 1.00 0.00 H new ATOM 0 HG2 GLN A 12 2.195 41.090 -10.865 1.00 0.00 H new ATOM 0 HG3 GLN A 12 1.161 39.709 -10.558 1.00 0.00 H new ATOM 0 HE21 GLN A 12 1.456 43.173 -10.511 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -0.205 43.533 -10.029 1.00 0.00 H new ATOM 170 N VAL A 13 2.903 38.004 -10.813 1.00 0.00 N ATOM 171 CA VAL A 13 2.570 36.697 -11.368 1.00 0.00 C ATOM 172 C VAL A 13 3.781 35.771 -11.357 1.00 0.00 C ATOM 173 O VAL A 13 3.669 34.590 -11.028 1.00 0.00 O ATOM 174 CB VAL A 13 2.043 36.818 -12.809 1.00 0.00 C ATOM 175 CG1 VAL A 13 1.726 35.443 -13.379 1.00 0.00 C ATOM 176 CG2 VAL A 13 0.816 37.718 -12.854 1.00 0.00 C ATOM 0 H VAL A 13 2.827 38.775 -11.476 1.00 0.00 H new ATOM 0 HA VAL A 13 1.788 36.275 -10.737 1.00 0.00 H new ATOM 0 HB VAL A 13 2.820 37.270 -13.425 1.00 0.00 H new ATOM 0 HG11 VAL A 13 1.355 35.548 -14.398 1.00 0.00 H new ATOM 0 HG12 VAL A 13 2.630 34.834 -13.383 1.00 0.00 H new ATOM 0 HG13 VAL A 13 0.966 34.961 -12.764 1.00 0.00 H new ATOM 0 HG21 VAL A 13 0.457 37.792 -13.880 1.00 0.00 H new ATOM 0 HG22 VAL A 13 0.032 37.296 -12.225 1.00 0.00 H new ATOM 0 HG23 VAL A 13 1.079 38.711 -12.489 1.00 0.00 H new ATOM 186 N ASN A 14 4.938 36.315 -11.719 1.00 0.00 N ATOM 187 CA ASN A 14 6.172 35.537 -11.752 1.00 0.00 C ATOM 188 C ASN A 14 6.498 34.976 -10.371 1.00 0.00 C ATOM 189 O ASN A 14 6.605 33.763 -10.191 1.00 0.00 O ATOM 190 CB ASN A 14 7.331 36.400 -12.251 1.00 0.00 C ATOM 191 CG ASN A 14 8.490 35.569 -12.768 1.00 0.00 C ATOM 192 OD1 ASN A 14 9.528 35.458 -12.115 1.00 0.00 O ATOM 193 ND2 ASN A 14 8.317 34.981 -13.945 1.00 0.00 N ATOM 0 H ASN A 14 5.047 37.291 -11.994 1.00 0.00 H new ATOM 0 HA ASN A 14 6.028 34.703 -12.439 1.00 0.00 H new ATOM 0 HB2 ASN A 14 6.976 37.057 -13.045 1.00 0.00 H new ATOM 0 HB3 ASN A 14 7.679 37.040 -11.440 1.00 0.00 H new ATOM 0 HD21 ASN A 14 9.062 34.409 -14.344 1.00 0.00 H new ATOM 0 HD22 ASN A 14 7.439 35.101 -14.451 1.00 0.00 H new ATOM 200 N ASP A 15 6.654 35.867 -9.398 1.00 0.00 N ATOM 201 CA ASP A 15 6.966 35.463 -8.033 1.00 0.00 C ATOM 202 C ASP A 15 5.891 34.530 -7.483 1.00 0.00 C ATOM 203 O ASP A 15 6.198 33.523 -6.847 1.00 0.00 O ATOM 204 CB ASP A 15 7.101 36.692 -7.132 1.00 0.00 C ATOM 205 CG ASP A 15 8.518 36.890 -6.632 1.00 0.00 C ATOM 206 OD1 ASP A 15 9.460 36.475 -7.338 1.00 0.00 O ATOM 207 OD2 ASP A 15 8.685 37.458 -5.532 1.00 0.00 O ATOM 0 H ASP A 15 6.569 36.875 -9.530 1.00 0.00 H new ATOM 0 HA ASP A 15 7.915 34.927 -8.048 1.00 0.00 H new ATOM 0 HB2 ASP A 15 6.786 37.579 -7.682 1.00 0.00 H new ATOM 0 HB3 ASP A 15 6.429 36.590 -6.280 1.00 0.00 H new ATOM 212 N GLU A 16 4.631 34.875 -7.732 1.00 0.00 N ATOM 213 CA GLU A 16 3.512 34.068 -7.261 1.00 0.00 C ATOM 214 C GLU A 16 3.635 32.628 -7.748 1.00 0.00 C ATOM 215 O GLU A 16 3.488 31.683 -6.972 1.00 0.00 O ATOM 216 CB GLU A 16 2.187 34.667 -7.736 1.00 0.00 C ATOM 217 CG GLU A 16 1.639 35.744 -6.814 1.00 0.00 C ATOM 218 CD GLU A 16 0.985 35.171 -5.572 1.00 0.00 C ATOM 219 OE1 GLU A 16 -0.217 34.840 -5.634 1.00 0.00 O ATOM 220 OE2 GLU A 16 1.676 35.053 -4.538 1.00 0.00 O ATOM 0 H GLU A 16 4.360 35.707 -8.257 1.00 0.00 H new ATOM 0 HA GLU A 16 3.533 34.067 -6.171 1.00 0.00 H new ATOM 0 HB2 GLU A 16 2.325 35.089 -8.731 1.00 0.00 H new ATOM 0 HB3 GLU A 16 1.450 33.869 -7.827 1.00 0.00 H new ATOM 0 HG2 GLU A 16 2.449 36.411 -6.519 1.00 0.00 H new ATOM 0 HG3 GLU A 16 0.912 36.347 -7.358 1.00 0.00 H new ATOM 227 N LEU A 17 3.906 32.467 -9.039 1.00 0.00 N ATOM 228 CA LEU A 17 4.050 31.142 -9.632 1.00 0.00 C ATOM 229 C LEU A 17 5.296 30.441 -9.103 1.00 0.00 C ATOM 230 O LEU A 17 5.314 29.221 -8.945 1.00 0.00 O ATOM 231 CB LEU A 17 4.118 31.248 -11.156 1.00 0.00 C ATOM 232 CG LEU A 17 2.985 30.573 -11.928 1.00 0.00 C ATOM 233 CD1 LEU A 17 1.947 31.598 -12.358 1.00 0.00 C ATOM 234 CD2 LEU A 17 3.532 29.826 -13.136 1.00 0.00 C ATOM 0 H LEU A 17 4.030 33.238 -9.695 1.00 0.00 H new ATOM 0 HA LEU A 17 3.178 30.550 -9.354 1.00 0.00 H new ATOM 0 HB2 LEU A 17 4.136 32.304 -11.426 1.00 0.00 H new ATOM 0 HB3 LEU A 17 5.063 30.818 -11.488 1.00 0.00 H new ATOM 0 HG LEU A 17 2.502 29.852 -11.269 1.00 0.00 H new ATOM 0 HD11 LEU A 17 1.148 31.099 -12.906 1.00 0.00 H new ATOM 0 HD12 LEU A 17 1.532 32.087 -11.477 1.00 0.00 H new ATOM 0 HD13 LEU A 17 2.416 32.344 -13.000 1.00 0.00 H new ATOM 0 HD21 LEU A 17 2.711 29.352 -13.673 1.00 0.00 H new ATOM 0 HD22 LEU A 17 4.041 30.527 -13.797 1.00 0.00 H new ATOM 0 HD23 LEU A 17 4.236 29.063 -12.804 1.00 0.00 H new ATOM 246 N ASN A 18 6.338 31.221 -8.829 1.00 0.00 N ATOM 247 CA ASN A 18 7.589 30.675 -8.317 1.00 0.00 C ATOM 248 C ASN A 18 7.367 29.969 -6.982 1.00 0.00 C ATOM 249 O ASN A 18 7.636 28.774 -6.846 1.00 0.00 O ATOM 250 CB ASN A 18 8.626 31.787 -8.152 1.00 0.00 C ATOM 251 CG ASN A 18 9.953 31.441 -8.798 1.00 0.00 C ATOM 252 OD1 ASN A 18 10.351 30.277 -8.840 1.00 0.00 O ATOM 253 ND2 ASN A 18 10.644 32.454 -9.308 1.00 0.00 N ATOM 0 H ASN A 18 6.340 32.233 -8.953 1.00 0.00 H new ATOM 0 HA ASN A 18 7.960 29.946 -9.037 1.00 0.00 H new ATOM 0 HB2 ASN A 18 8.241 32.707 -8.591 1.00 0.00 H new ATOM 0 HB3 ASN A 18 8.781 31.981 -7.091 1.00 0.00 H new ATOM 0 HD21 ASN A 18 11.544 32.283 -9.757 1.00 0.00 H new ATOM 0 HD22 ASN A 18 10.275 33.403 -9.250 1.00 0.00 H new ATOM 260 N LYS A 19 6.876 30.715 -5.999 1.00 0.00 N ATOM 261 CA LYS A 19 6.616 30.163 -4.675 1.00 0.00 C ATOM 262 C LYS A 19 5.541 29.081 -4.738 1.00 0.00 C ATOM 263 O LYS A 19 5.708 27.995 -4.182 1.00 0.00 O ATOM 264 CB LYS A 19 6.182 31.271 -3.713 1.00 0.00 C ATOM 265 CG LYS A 19 7.136 32.452 -3.676 1.00 0.00 C ATOM 266 CD LYS A 19 6.400 33.770 -3.849 1.00 0.00 C ATOM 267 CE LYS A 19 7.350 34.891 -4.243 1.00 0.00 C ATOM 268 NZ LYS A 19 6.832 36.226 -3.834 1.00 0.00 N ATOM 0 H LYS A 19 6.650 31.705 -6.094 1.00 0.00 H new ATOM 0 HA LYS A 19 7.539 29.714 -4.309 1.00 0.00 H new ATOM 0 HB2 LYS A 19 5.192 31.624 -4.001 1.00 0.00 H new ATOM 0 HB3 LYS A 19 6.093 30.855 -2.709 1.00 0.00 H new ATOM 0 HG2 LYS A 19 7.674 32.457 -2.728 1.00 0.00 H new ATOM 0 HG3 LYS A 19 7.881 32.344 -4.465 1.00 0.00 H new ATOM 0 HD2 LYS A 19 5.629 33.660 -4.612 1.00 0.00 H new ATOM 0 HD3 LYS A 19 5.894 34.030 -2.919 1.00 0.00 H new ATOM 0 HE2 LYS A 19 8.323 34.722 -3.781 1.00 0.00 H new ATOM 0 HE3 LYS A 19 7.502 34.876 -5.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 7.373 36.971 -4.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 5.828 36.303 -4.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 6.933 36.337 -2.805 1.00 0.00 H new ATOM 282 N MET A 20 4.442 29.384 -5.420 1.00 0.00 N ATOM 283 CA MET A 20 3.343 28.435 -5.558 1.00 0.00 C ATOM 284 C MET A 20 3.836 27.113 -6.137 1.00 0.00 C ATOM 285 O MET A 20 3.600 26.050 -5.564 1.00 0.00 O ATOM 286 CB MET A 20 2.247 29.020 -6.451 1.00 0.00 C ATOM 287 CG MET A 20 1.059 28.090 -6.642 1.00 0.00 C ATOM 288 SD MET A 20 -0.522 28.930 -6.425 1.00 0.00 S ATOM 289 CE MET A 20 -1.447 27.685 -5.530 1.00 0.00 C ATOM 0 H MET A 20 4.288 30.278 -5.886 1.00 0.00 H new ATOM 0 HA MET A 20 2.932 28.245 -4.567 1.00 0.00 H new ATOM 0 HB2 MET A 20 1.898 29.957 -6.018 1.00 0.00 H new ATOM 0 HB3 MET A 20 2.672 29.258 -7.426 1.00 0.00 H new ATOM 0 HG2 MET A 20 1.100 27.654 -7.640 1.00 0.00 H new ATOM 0 HG3 MET A 20 1.129 27.266 -5.931 1.00 0.00 H new ATOM 0 HE1 MET A 20 -2.450 28.057 -5.321 1.00 0.00 H new ATOM 0 HE2 MET A 20 -1.514 26.779 -6.132 1.00 0.00 H new ATOM 0 HE3 MET A 20 -0.941 27.460 -4.591 1.00 0.00 H new ATOM 299 N GLN A 21 4.519 27.188 -7.274 1.00 0.00 N ATOM 300 CA GLN A 21 5.043 25.995 -7.929 1.00 0.00 C ATOM 301 C GLN A 21 5.986 25.234 -7.003 1.00 0.00 C ATOM 302 O GLN A 21 5.908 24.012 -6.891 1.00 0.00 O ATOM 303 CB GLN A 21 5.773 26.376 -9.218 1.00 0.00 C ATOM 304 CG GLN A 21 6.334 25.182 -9.975 1.00 0.00 C ATOM 305 CD GLN A 21 5.673 24.983 -11.325 1.00 0.00 C ATOM 306 OE1 GLN A 21 4.449 24.893 -11.423 1.00 0.00 O ATOM 307 NE2 GLN A 21 6.482 24.914 -12.376 1.00 0.00 N ATOM 0 H GLN A 21 4.723 28.061 -7.761 1.00 0.00 H new ATOM 0 HA GLN A 21 4.202 25.346 -8.173 1.00 0.00 H new ATOM 0 HB2 GLN A 21 5.086 26.918 -9.868 1.00 0.00 H new ATOM 0 HB3 GLN A 21 6.588 27.058 -8.976 1.00 0.00 H new ATOM 0 HG2 GLN A 21 7.406 25.318 -10.116 1.00 0.00 H new ATOM 0 HG3 GLN A 21 6.203 24.282 -9.374 1.00 0.00 H new ATOM 0 HE21 GLN A 21 7.491 24.994 -12.249 1.00 0.00 H new ATOM 0 HE22 GLN A 21 6.094 24.782 -13.310 1.00 0.00 H new ATOM 316 N ALA A 22 6.875 25.967 -6.341 1.00 0.00 N ATOM 317 CA ALA A 22 7.832 25.360 -5.423 1.00 0.00 C ATOM 318 C ALA A 22 7.119 24.620 -4.297 1.00 0.00 C ATOM 319 O ALA A 22 7.464 23.484 -3.972 1.00 0.00 O ATOM 320 CB ALA A 22 8.761 26.422 -4.853 1.00 0.00 C ATOM 0 H ALA A 22 6.953 26.981 -6.423 1.00 0.00 H new ATOM 0 HA ALA A 22 8.424 24.635 -5.981 1.00 0.00 H new ATOM 0 HB1 ALA A 22 9.470 25.956 -4.169 1.00 0.00 H new ATOM 0 HB2 ALA A 22 9.304 26.905 -5.666 1.00 0.00 H new ATOM 0 HB3 ALA A 22 8.175 27.167 -4.315 1.00 0.00 H new ATOM 326 N PHE A 23 6.122 25.270 -3.706 1.00 0.00 N ATOM 327 CA PHE A 23 5.361 24.672 -2.614 1.00 0.00 C ATOM 328 C PHE A 23 4.688 23.379 -3.064 1.00 0.00 C ATOM 329 O PHE A 23 4.733 22.367 -2.365 1.00 0.00 O ATOM 330 CB PHE A 23 4.309 25.657 -2.100 1.00 0.00 C ATOM 331 CG PHE A 23 4.723 26.378 -0.849 1.00 0.00 C ATOM 332 CD1 PHE A 23 5.912 27.089 -0.805 1.00 0.00 C ATOM 333 CD2 PHE A 23 3.924 26.346 0.282 1.00 0.00 C ATOM 334 CE1 PHE A 23 6.296 27.753 0.345 1.00 0.00 C ATOM 335 CE2 PHE A 23 4.303 27.009 1.434 1.00 0.00 C ATOM 336 CZ PHE A 23 5.490 27.714 1.465 1.00 0.00 C ATOM 0 H PHE A 23 5.822 26.210 -3.964 1.00 0.00 H new ATOM 0 HA PHE A 23 6.054 24.437 -1.806 1.00 0.00 H new ATOM 0 HB2 PHE A 23 4.098 26.390 -2.879 1.00 0.00 H new ATOM 0 HB3 PHE A 23 3.381 25.118 -1.909 1.00 0.00 H new ATOM 0 HD1 PHE A 23 6.546 27.125 -1.679 1.00 0.00 H new ATOM 0 HD2 PHE A 23 2.994 25.797 0.263 1.00 0.00 H new ATOM 0 HE1 PHE A 23 7.226 28.302 0.367 1.00 0.00 H new ATOM 0 HE2 PHE A 23 3.671 26.976 2.309 1.00 0.00 H new ATOM 0 HZ PHE A 23 5.787 28.234 2.364 1.00 0.00 H new ATOM 346 N ILE A 24 4.064 23.422 -4.237 1.00 0.00 N ATOM 347 CA ILE A 24 3.381 22.255 -4.781 1.00 0.00 C ATOM 348 C ILE A 24 4.376 21.163 -5.160 1.00 0.00 C ATOM 349 O ILE A 24 4.054 19.976 -5.124 1.00 0.00 O ATOM 350 CB ILE A 24 2.541 22.621 -6.020 1.00 0.00 C ATOM 351 CG1 ILE A 24 1.469 23.649 -5.650 1.00 0.00 C ATOM 352 CG2 ILE A 24 1.903 21.374 -6.614 1.00 0.00 C ATOM 353 CD1 ILE A 24 0.438 23.123 -4.677 1.00 0.00 C ATOM 0 H ILE A 24 4.018 24.252 -4.828 1.00 0.00 H new ATOM 0 HA ILE A 24 2.718 21.884 -3.999 1.00 0.00 H new ATOM 0 HB ILE A 24 3.198 23.062 -6.770 1.00 0.00 H new ATOM 0 HG12 ILE A 24 1.951 24.525 -5.217 1.00 0.00 H new ATOM 0 HG13 ILE A 24 0.965 23.979 -6.558 1.00 0.00 H new ATOM 0 HG21 ILE A 24 1.313 21.648 -7.488 1.00 0.00 H new ATOM 0 HG22 ILE A 24 2.683 20.671 -6.908 1.00 0.00 H new ATOM 0 HG23 ILE A 24 1.256 20.907 -5.871 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -0.290 23.905 -4.460 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -0.071 22.265 -5.115 1.00 0.00 H new ATOM 0 HD13 ILE A 24 0.931 22.820 -3.753 1.00 0.00 H new ATOM 365 N ARG A 25 5.587 21.575 -5.522 1.00 0.00 N ATOM 366 CA ARG A 25 6.630 20.631 -5.908 1.00 0.00 C ATOM 367 C ARG A 25 7.093 19.813 -4.706 1.00 0.00 C ATOM 368 O ARG A 25 7.189 18.588 -4.776 1.00 0.00 O ATOM 369 CB ARG A 25 7.819 21.375 -6.520 1.00 0.00 C ATOM 370 CG ARG A 25 7.783 21.434 -8.039 1.00 0.00 C ATOM 371 CD ARG A 25 8.135 20.090 -8.656 1.00 0.00 C ATOM 372 NE ARG A 25 7.748 20.016 -10.062 1.00 0.00 N ATOM 373 CZ ARG A 25 6.486 19.959 -10.475 1.00 0.00 C ATOM 374 NH1 ARG A 25 5.496 19.967 -9.595 1.00 0.00 N ATOM 375 NH2 ARG A 25 6.215 19.893 -11.773 1.00 0.00 N ATOM 0 H ARG A 25 5.870 22.554 -5.556 1.00 0.00 H new ATOM 0 HA ARG A 25 6.214 19.951 -6.651 1.00 0.00 H new ATOM 0 HB2 ARG A 25 7.843 22.391 -6.126 1.00 0.00 H new ATOM 0 HB3 ARG A 25 8.742 20.889 -6.205 1.00 0.00 H new ATOM 0 HG2 ARG A 25 6.790 21.738 -8.369 1.00 0.00 H new ATOM 0 HG3 ARG A 25 8.482 22.192 -8.392 1.00 0.00 H new ATOM 0 HD2 ARG A 25 9.208 19.919 -8.566 1.00 0.00 H new ATOM 0 HD3 ARG A 25 7.638 19.295 -8.101 1.00 0.00 H new ATOM 0 HE ARG A 25 8.486 20.008 -10.766 1.00 0.00 H new ATOM 0 HH11 ARG A 25 5.701 20.017 -8.597 1.00 0.00 H new ATOM 0 HH12 ARG A 25 4.529 19.923 -9.915 1.00 0.00 H new ATOM 0 HH21 ARG A 25 6.975 19.886 -12.453 1.00 0.00 H new ATOM 0 HH22 ARG A 25 5.247 19.849 -12.090 1.00 0.00 H new ATOM 389 N LYS A 26 7.380 20.498 -3.605 1.00 0.00 N ATOM 390 CA LYS A 26 7.834 19.836 -2.387 1.00 0.00 C ATOM 391 C LYS A 26 6.707 19.020 -1.761 1.00 0.00 C ATOM 392 O LYS A 26 6.917 17.885 -1.332 1.00 0.00 O ATOM 393 CB LYS A 26 8.348 20.868 -1.381 1.00 0.00 C ATOM 394 CG LYS A 26 9.665 20.481 -0.731 1.00 0.00 C ATOM 395 CD LYS A 26 10.786 21.422 -1.136 1.00 0.00 C ATOM 396 CE LYS A 26 10.931 22.573 -0.153 1.00 0.00 C ATOM 397 NZ LYS A 26 11.881 23.608 -0.647 1.00 0.00 N ATOM 0 H LYS A 26 7.306 21.513 -3.530 1.00 0.00 H new ATOM 0 HA LYS A 26 8.647 19.160 -2.652 1.00 0.00 H new ATOM 0 HB2 LYS A 26 8.470 21.826 -1.886 1.00 0.00 H new ATOM 0 HB3 LYS A 26 7.597 21.011 -0.604 1.00 0.00 H new ATOM 0 HG2 LYS A 26 9.553 20.492 0.353 1.00 0.00 H new ATOM 0 HG3 LYS A 26 9.925 19.461 -1.014 1.00 0.00 H new ATOM 0 HD2 LYS A 26 11.724 20.869 -1.191 1.00 0.00 H new ATOM 0 HD3 LYS A 26 10.589 21.816 -2.133 1.00 0.00 H new ATOM 0 HE2 LYS A 26 9.956 23.028 0.020 1.00 0.00 H new ATOM 0 HE3 LYS A 26 11.278 22.190 0.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 11.952 24.375 0.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 12.818 23.180 -0.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 11.537 23.992 -1.550 1.00 0.00 H new ATOM 411 N GLU A 27 5.514 19.603 -1.715 1.00 0.00 N ATOM 412 CA GLU A 27 4.356 18.926 -1.143 1.00 0.00 C ATOM 413 C GLU A 27 4.009 17.672 -1.940 1.00 0.00 C ATOM 414 O GLU A 27 3.796 16.602 -1.370 1.00 0.00 O ATOM 415 CB GLU A 27 3.152 19.870 -1.108 1.00 0.00 C ATOM 416 CG GLU A 27 3.230 20.916 -0.006 1.00 0.00 C ATOM 417 CD GLU A 27 1.910 21.629 0.214 1.00 0.00 C ATOM 418 OE1 GLU A 27 0.874 20.941 0.317 1.00 0.00 O ATOM 419 OE2 GLU A 27 1.914 22.876 0.284 1.00 0.00 O ATOM 0 H GLU A 27 5.324 20.541 -2.066 1.00 0.00 H new ATOM 0 HA GLU A 27 4.607 18.630 -0.125 1.00 0.00 H new ATOM 0 HB2 GLU A 27 3.068 20.374 -2.071 1.00 0.00 H new ATOM 0 HB3 GLU A 27 2.244 19.282 -0.976 1.00 0.00 H new ATOM 0 HG2 GLU A 27 3.540 20.437 0.923 1.00 0.00 H new ATOM 0 HG3 GLU A 27 3.997 21.648 -0.259 1.00 0.00 H new ATOM 426 N ALA A 28 3.954 17.814 -3.260 1.00 0.00 N ATOM 427 CA ALA A 28 3.634 16.693 -4.136 1.00 0.00 C ATOM 428 C ALA A 28 4.734 15.637 -4.099 1.00 0.00 C ATOM 429 O ALA A 28 4.455 14.438 -4.120 1.00 0.00 O ATOM 430 CB ALA A 28 3.416 17.181 -5.559 1.00 0.00 C ATOM 0 H ALA A 28 4.127 18.694 -3.746 1.00 0.00 H new ATOM 0 HA ALA A 28 2.713 16.234 -3.777 1.00 0.00 H new ATOM 0 HB1 ALA A 28 3.178 16.334 -6.202 1.00 0.00 H new ATOM 0 HB2 ALA A 28 2.591 17.893 -5.577 1.00 0.00 H new ATOM 0 HB3 ALA A 28 4.323 17.667 -5.920 1.00 0.00 H new ATOM 436 N GLU A 29 5.982 16.091 -4.044 1.00 0.00 N ATOM 437 CA GLU A 29 7.123 15.183 -4.007 1.00 0.00 C ATOM 438 C GLU A 29 7.107 14.341 -2.734 1.00 0.00 C ATOM 439 O GLU A 29 7.305 13.128 -2.778 1.00 0.00 O ATOM 440 CB GLU A 29 8.432 15.971 -4.094 1.00 0.00 C ATOM 441 CG GLU A 29 8.888 16.236 -5.519 1.00 0.00 C ATOM 442 CD GLU A 29 10.241 15.623 -5.823 1.00 0.00 C ATOM 443 OE1 GLU A 29 11.255 16.144 -5.313 1.00 0.00 O ATOM 444 OE2 GLU A 29 10.285 14.625 -6.572 1.00 0.00 O ATOM 0 H GLU A 29 6.229 17.081 -4.024 1.00 0.00 H new ATOM 0 HA GLU A 29 7.051 14.515 -4.865 1.00 0.00 H new ATOM 0 HB2 GLU A 29 8.308 16.923 -3.578 1.00 0.00 H new ATOM 0 HB3 GLU A 29 9.213 15.422 -3.568 1.00 0.00 H new ATOM 0 HG2 GLU A 29 8.148 15.837 -6.213 1.00 0.00 H new ATOM 0 HG3 GLU A 29 8.935 17.312 -5.687 1.00 0.00 H new ATOM 451 N GLU A 30 6.870 14.997 -1.601 1.00 0.00 N ATOM 452 CA GLU A 30 6.830 14.309 -0.316 1.00 0.00 C ATOM 453 C GLU A 30 5.654 13.339 -0.255 1.00 0.00 C ATOM 454 O GLU A 30 5.807 12.183 0.141 1.00 0.00 O ATOM 455 CB GLU A 30 6.730 15.322 0.826 1.00 0.00 C ATOM 456 CG GLU A 30 7.667 15.025 1.986 1.00 0.00 C ATOM 457 CD GLU A 30 8.034 16.269 2.772 1.00 0.00 C ATOM 458 OE1 GLU A 30 7.114 16.955 3.263 1.00 0.00 O ATOM 459 OE2 GLU A 30 9.244 16.555 2.894 1.00 0.00 O ATOM 0 H GLU A 30 6.703 16.002 -1.548 1.00 0.00 H new ATOM 0 HA GLU A 30 7.753 13.740 -0.208 1.00 0.00 H new ATOM 0 HB2 GLU A 30 6.949 16.317 0.438 1.00 0.00 H new ATOM 0 HB3 GLU A 30 5.704 15.342 1.194 1.00 0.00 H new ATOM 0 HG2 GLU A 30 7.196 14.304 2.654 1.00 0.00 H new ATOM 0 HG3 GLU A 30 8.576 14.560 1.604 1.00 0.00 H new ATOM 466 N LYS A 31 4.478 13.818 -0.648 1.00 0.00 N ATOM 467 CA LYS A 31 3.274 12.995 -0.639 1.00 0.00 C ATOM 468 C LYS A 31 3.415 11.816 -1.596 1.00 0.00 C ATOM 469 O LYS A 31 3.080 10.682 -1.252 1.00 0.00 O ATOM 470 CB LYS A 31 2.055 13.836 -1.024 1.00 0.00 C ATOM 471 CG LYS A 31 1.137 14.146 0.146 1.00 0.00 C ATOM 472 CD LYS A 31 1.506 15.463 0.809 1.00 0.00 C ATOM 473 CE LYS A 31 0.274 16.309 1.092 1.00 0.00 C ATOM 474 NZ LYS A 31 -0.396 16.750 -0.162 1.00 0.00 N ATOM 0 H LYS A 31 4.333 14.773 -0.977 1.00 0.00 H new ATOM 0 HA LYS A 31 3.136 12.607 0.370 1.00 0.00 H new ATOM 0 HB2 LYS A 31 2.395 14.772 -1.467 1.00 0.00 H new ATOM 0 HB3 LYS A 31 1.487 13.309 -1.791 1.00 0.00 H new ATOM 0 HG2 LYS A 31 0.105 14.189 -0.201 1.00 0.00 H new ATOM 0 HG3 LYS A 31 1.194 13.340 0.878 1.00 0.00 H new ATOM 0 HD2 LYS A 31 2.036 15.266 1.741 1.00 0.00 H new ATOM 0 HD3 LYS A 31 2.189 16.017 0.165 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -0.429 15.736 1.697 1.00 0.00 H new ATOM 0 HE3 LYS A 31 0.560 17.183 1.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -0.933 17.622 0.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 0.321 16.931 -0.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -1.044 16.006 -0.489 1.00 0.00 H new ATOM 488 N ALA A 32 3.911 12.091 -2.797 1.00 0.00 N ATOM 489 CA ALA A 32 4.099 11.051 -3.802 1.00 0.00 C ATOM 490 C ALA A 32 5.076 9.986 -3.315 1.00 0.00 C ATOM 491 O ALA A 32 4.835 8.789 -3.472 1.00 0.00 O ATOM 492 CB ALA A 32 4.588 11.660 -5.108 1.00 0.00 C ATOM 0 H ALA A 32 4.190 13.025 -3.098 1.00 0.00 H new ATOM 0 HA ALA A 32 3.136 10.571 -3.976 1.00 0.00 H new ATOM 0 HB1 ALA A 32 4.724 10.872 -5.849 1.00 0.00 H new ATOM 0 HB2 ALA A 32 3.853 12.378 -5.472 1.00 0.00 H new ATOM 0 HB3 ALA A 32 5.538 12.167 -4.940 1.00 0.00 H new ATOM 498 N LYS A 33 6.181 10.429 -2.724 1.00 0.00 N ATOM 499 CA LYS A 33 7.195 9.515 -2.213 1.00 0.00 C ATOM 500 C LYS A 33 6.637 8.664 -1.078 1.00 0.00 C ATOM 501 O LYS A 33 6.912 7.466 -0.996 1.00 0.00 O ATOM 502 CB LYS A 33 8.416 10.298 -1.725 1.00 0.00 C ATOM 503 CG LYS A 33 9.374 10.686 -2.838 1.00 0.00 C ATOM 504 CD LYS A 33 10.549 11.489 -2.307 1.00 0.00 C ATOM 505 CE LYS A 33 11.810 10.641 -2.222 1.00 0.00 C ATOM 506 NZ LYS A 33 13.042 11.464 -2.365 1.00 0.00 N ATOM 0 H LYS A 33 6.397 11.417 -2.587 1.00 0.00 H new ATOM 0 HA LYS A 33 7.496 8.853 -3.025 1.00 0.00 H new ATOM 0 HB2 LYS A 33 8.079 11.201 -1.216 1.00 0.00 H new ATOM 0 HB3 LYS A 33 8.951 9.698 -0.989 1.00 0.00 H new ATOM 0 HG2 LYS A 33 9.741 9.787 -3.334 1.00 0.00 H new ATOM 0 HG3 LYS A 33 8.843 11.270 -3.589 1.00 0.00 H new ATOM 0 HD2 LYS A 33 10.729 12.346 -2.956 1.00 0.00 H new ATOM 0 HD3 LYS A 33 10.306 11.882 -1.320 1.00 0.00 H new ATOM 0 HE2 LYS A 33 11.832 10.117 -1.266 1.00 0.00 H new ATOM 0 HE3 LYS A 33 11.789 9.880 -3.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 13.879 10.850 -2.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 13.034 11.944 -3.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 13.075 12.174 -1.606 1.00 0.00 H new ATOM 520 N GLU A 34 5.852 9.288 -0.206 1.00 0.00 N ATOM 521 CA GLU A 34 5.256 8.585 0.924 1.00 0.00 C ATOM 522 C GLU A 34 4.308 7.489 0.444 1.00 0.00 C ATOM 523 O GLU A 34 4.369 6.353 0.915 1.00 0.00 O ATOM 524 CB GLU A 34 4.504 9.567 1.825 1.00 0.00 C ATOM 525 CG GLU A 34 4.537 9.191 3.297 1.00 0.00 C ATOM 526 CD GLU A 34 3.579 10.019 4.133 1.00 0.00 C ATOM 527 OE1 GLU A 34 2.986 10.971 3.586 1.00 0.00 O ATOM 528 OE2 GLU A 34 3.424 9.713 5.333 1.00 0.00 O ATOM 0 H GLU A 34 5.614 10.278 -0.260 1.00 0.00 H new ATOM 0 HA GLU A 34 6.060 8.121 1.496 1.00 0.00 H new ATOM 0 HB2 GLU A 34 4.934 10.561 1.703 1.00 0.00 H new ATOM 0 HB3 GLU A 34 3.466 9.626 1.497 1.00 0.00 H new ATOM 0 HG2 GLU A 34 4.287 8.135 3.404 1.00 0.00 H new ATOM 0 HG3 GLU A 34 5.550 9.319 3.678 1.00 0.00 H new ATOM 535 N ILE A 35 3.433 7.840 -0.492 1.00 0.00 N ATOM 536 CA ILE A 35 2.474 6.888 -1.036 1.00 0.00 C ATOM 537 C ILE A 35 3.168 5.840 -1.901 1.00 0.00 C ATOM 538 O ILE A 35 2.753 4.683 -1.941 1.00 0.00 O ATOM 539 CB ILE A 35 1.392 7.594 -1.873 1.00 0.00 C ATOM 540 CG1 ILE A 35 0.659 8.637 -1.026 1.00 0.00 C ATOM 541 CG2 ILE A 35 0.411 6.577 -2.437 1.00 0.00 C ATOM 542 CD1 ILE A 35 -0.133 9.632 -1.845 1.00 0.00 C ATOM 0 H ILE A 35 3.369 8.777 -0.889 1.00 0.00 H new ATOM 0 HA ILE A 35 2.001 6.397 -0.186 1.00 0.00 H new ATOM 0 HB ILE A 35 1.875 8.105 -2.706 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -0.015 8.126 -0.338 1.00 0.00 H new ATOM 0 HG13 ILE A 35 1.386 9.176 -0.418 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -0.348 7.092 -3.026 1.00 0.00 H new ATOM 0 HG22 ILE A 35 0.945 5.869 -3.071 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -0.068 6.040 -1.618 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -0.626 10.341 -1.179 1.00 0.00 H new ATOM 0 HD12 ILE A 35 0.539 10.170 -2.514 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -0.884 9.104 -2.433 1.00 0.00 H new ATOM 554 N GLN A 36 4.226 6.257 -2.588 1.00 0.00 N ATOM 555 CA GLN A 36 4.979 5.353 -3.451 1.00 0.00 C ATOM 556 C GLN A 36 5.760 4.336 -2.625 1.00 0.00 C ATOM 557 O GLN A 36 5.734 3.139 -2.913 1.00 0.00 O ATOM 558 CB GLN A 36 5.936 6.147 -4.343 1.00 0.00 C ATOM 559 CG GLN A 36 5.287 6.680 -5.609 1.00 0.00 C ATOM 560 CD GLN A 36 6.072 6.333 -6.858 1.00 0.00 C ATOM 561 OE1 GLN A 36 7.077 6.973 -7.172 1.00 0.00 O ATOM 562 NE2 GLN A 36 5.618 5.315 -7.580 1.00 0.00 N ATOM 0 H GLN A 36 4.581 7.213 -2.565 1.00 0.00 H new ATOM 0 HA GLN A 36 4.269 4.814 -4.079 1.00 0.00 H new ATOM 0 HB2 GLN A 36 6.341 6.983 -3.773 1.00 0.00 H new ATOM 0 HB3 GLN A 36 6.777 5.510 -4.616 1.00 0.00 H new ATOM 0 HG2 GLN A 36 4.279 6.275 -5.694 1.00 0.00 H new ATOM 0 HG3 GLN A 36 5.190 7.763 -5.535 1.00 0.00 H new ATOM 0 HE21 GLN A 36 4.782 4.812 -7.283 1.00 0.00 H new ATOM 0 HE22 GLN A 36 6.106 5.036 -8.431 1.00 0.00 H new ATOM 571 N LEU A 37 6.451 4.819 -1.600 1.00 0.00 N ATOM 572 CA LEU A 37 7.240 3.951 -0.732 1.00 0.00 C ATOM 573 C LEU A 37 6.335 3.085 0.139 1.00 0.00 C ATOM 574 O LEU A 37 6.669 1.943 0.455 1.00 0.00 O ATOM 575 CB LEU A 37 8.169 4.787 0.151 1.00 0.00 C ATOM 576 CG LEU A 37 7.540 5.382 1.411 1.00 0.00 C ATOM 577 CD1 LEU A 37 7.655 4.409 2.574 1.00 0.00 C ATOM 578 CD2 LEU A 37 8.196 6.710 1.758 1.00 0.00 C ATOM 0 H LEU A 37 6.482 5.807 -1.349 1.00 0.00 H new ATOM 0 HA LEU A 37 7.841 3.297 -1.363 1.00 0.00 H new ATOM 0 HB2 LEU A 37 9.012 4.164 0.449 1.00 0.00 H new ATOM 0 HB3 LEU A 37 8.572 5.602 -0.450 1.00 0.00 H new ATOM 0 HG LEU A 37 6.483 5.562 1.217 1.00 0.00 H new ATOM 0 HD11 LEU A 37 7.202 4.849 3.463 1.00 0.00 H new ATOM 0 HD12 LEU A 37 7.139 3.482 2.325 1.00 0.00 H new ATOM 0 HD13 LEU A 37 8.706 4.198 2.769 1.00 0.00 H new ATOM 0 HD21 LEU A 37 7.736 7.119 2.657 1.00 0.00 H new ATOM 0 HD22 LEU A 37 9.261 6.555 1.933 1.00 0.00 H new ATOM 0 HD23 LEU A 37 8.062 7.409 0.932 1.00 0.00 H new ATOM 590 N LYS A 38 5.188 3.635 0.521 1.00 0.00 N ATOM 591 CA LYS A 38 4.232 2.912 1.353 1.00 0.00 C ATOM 592 C LYS A 38 3.575 1.782 0.567 1.00 0.00 C ATOM 593 O LYS A 38 3.487 0.651 1.046 1.00 0.00 O ATOM 594 CB LYS A 38 3.163 3.868 1.884 1.00 0.00 C ATOM 595 CG LYS A 38 3.595 4.637 3.120 1.00 0.00 C ATOM 596 CD LYS A 38 3.379 3.825 4.387 1.00 0.00 C ATOM 597 CE LYS A 38 1.901 3.674 4.706 1.00 0.00 C ATOM 598 NZ LYS A 38 1.683 3.047 6.040 1.00 0.00 N ATOM 0 H LYS A 38 4.897 4.579 0.268 1.00 0.00 H new ATOM 0 HA LYS A 38 4.773 2.479 2.195 1.00 0.00 H new ATOM 0 HB2 LYS A 38 2.899 4.577 1.099 1.00 0.00 H new ATOM 0 HB3 LYS A 38 2.262 3.300 2.116 1.00 0.00 H new ATOM 0 HG2 LYS A 38 4.648 4.904 3.033 1.00 0.00 H new ATOM 0 HG3 LYS A 38 3.034 5.569 3.184 1.00 0.00 H new ATOM 0 HD2 LYS A 38 3.830 2.839 4.270 1.00 0.00 H new ATOM 0 HD3 LYS A 38 3.885 4.310 5.222 1.00 0.00 H new ATOM 0 HE2 LYS A 38 1.422 4.653 4.682 1.00 0.00 H new ATOM 0 HE3 LYS A 38 1.424 3.067 3.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 0.662 2.961 6.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 2.118 2.102 6.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 2.117 3.639 6.777 1.00 0.00 H new ATOM 612 N ALA A 39 3.116 2.095 -0.639 1.00 0.00 N ATOM 613 CA ALA A 39 2.469 1.103 -1.491 1.00 0.00 C ATOM 614 C ALA A 39 3.462 0.039 -1.947 1.00 0.00 C ATOM 615 O ALA A 39 3.151 -1.152 -1.950 1.00 0.00 O ATOM 616 CB ALA A 39 1.829 1.780 -2.695 1.00 0.00 C ATOM 0 H ALA A 39 3.179 3.027 -1.049 1.00 0.00 H new ATOM 0 HA ALA A 39 1.691 0.610 -0.907 1.00 0.00 H new ATOM 0 HB1 ALA A 39 1.350 1.029 -3.323 1.00 0.00 H new ATOM 0 HB2 ALA A 39 1.083 2.498 -2.355 1.00 0.00 H new ATOM 0 HB3 ALA A 39 2.596 2.299 -3.271 1.00 0.00 H new ATOM 622 N ASP A 40 4.657 0.476 -2.330 1.00 0.00 N ATOM 623 CA ASP A 40 5.695 -0.439 -2.787 1.00 0.00 C ATOM 624 C ASP A 40 6.151 -1.353 -1.653 1.00 0.00 C ATOM 625 O ASP A 40 6.334 -2.555 -1.847 1.00 0.00 O ATOM 626 CB ASP A 40 6.888 0.343 -3.339 1.00 0.00 C ATOM 627 CG ASP A 40 8.012 -0.564 -3.798 1.00 0.00 C ATOM 628 OD1 ASP A 40 7.716 -1.627 -4.381 1.00 0.00 O ATOM 629 OD2 ASP A 40 9.189 -0.212 -3.574 1.00 0.00 O ATOM 0 H ASP A 40 4.930 1.459 -2.333 1.00 0.00 H new ATOM 0 HA ASP A 40 5.276 -1.056 -3.582 1.00 0.00 H new ATOM 0 HB2 ASP A 40 6.559 0.960 -4.175 1.00 0.00 H new ATOM 0 HB3 ASP A 40 7.262 1.020 -2.571 1.00 0.00 H new ATOM 634 N GLN A 41 6.334 -0.774 -0.470 1.00 0.00 N ATOM 635 CA GLN A 41 6.770 -1.537 0.693 1.00 0.00 C ATOM 636 C GLN A 41 5.714 -2.559 1.102 1.00 0.00 C ATOM 637 O GLN A 41 6.032 -3.715 1.380 1.00 0.00 O ATOM 638 CB GLN A 41 7.067 -0.597 1.864 1.00 0.00 C ATOM 639 CG GLN A 41 8.434 0.063 1.782 1.00 0.00 C ATOM 640 CD GLN A 41 9.541 -0.818 2.324 1.00 0.00 C ATOM 641 OE1 GLN A 41 9.866 -0.769 3.510 1.00 0.00 O ATOM 642 NE2 GLN A 41 10.127 -1.633 1.454 1.00 0.00 N ATOM 0 H GLN A 41 6.187 0.220 -0.292 1.00 0.00 H new ATOM 0 HA GLN A 41 7.681 -2.071 0.424 1.00 0.00 H new ATOM 0 HB2 GLN A 41 6.301 0.177 1.901 1.00 0.00 H new ATOM 0 HB3 GLN A 41 6.999 -1.158 2.796 1.00 0.00 H new ATOM 0 HG2 GLN A 41 8.650 0.314 0.744 1.00 0.00 H new ATOM 0 HG3 GLN A 41 8.415 1.000 2.339 1.00 0.00 H new ATOM 0 HE21 GLN A 41 9.826 -1.641 0.480 1.00 0.00 H new ATOM 0 HE22 GLN A 41 10.878 -2.251 1.760 1.00 0.00 H new ATOM 651 N GLU A 42 4.458 -2.125 1.136 1.00 0.00 N ATOM 652 CA GLU A 42 3.357 -3.003 1.512 1.00 0.00 C ATOM 653 C GLU A 42 3.141 -4.087 0.459 1.00 0.00 C ATOM 654 O GLU A 42 2.761 -5.212 0.781 1.00 0.00 O ATOM 655 CB GLU A 42 2.072 -2.194 1.698 1.00 0.00 C ATOM 656 CG GLU A 42 0.914 -3.009 2.248 1.00 0.00 C ATOM 657 CD GLU A 42 -0.195 -2.142 2.812 1.00 0.00 C ATOM 658 OE1 GLU A 42 0.092 -0.990 3.200 1.00 0.00 O ATOM 659 OE2 GLU A 42 -1.349 -2.615 2.867 1.00 0.00 O ATOM 0 H GLU A 42 4.178 -1.171 0.908 1.00 0.00 H new ATOM 0 HA GLU A 42 3.615 -3.484 2.455 1.00 0.00 H new ATOM 0 HB2 GLU A 42 2.271 -1.361 2.372 1.00 0.00 H new ATOM 0 HB3 GLU A 42 1.781 -1.765 0.739 1.00 0.00 H new ATOM 0 HG2 GLU A 42 0.510 -3.639 1.456 1.00 0.00 H new ATOM 0 HG3 GLU A 42 1.282 -3.675 3.029 1.00 0.00 H new ATOM 666 N TYR A 43 3.387 -3.738 -0.799 1.00 0.00 N ATOM 667 CA TYR A 43 3.217 -4.678 -1.900 1.00 0.00 C ATOM 668 C TYR A 43 4.296 -5.756 -1.866 1.00 0.00 C ATOM 669 O TYR A 43 4.021 -6.932 -2.108 1.00 0.00 O ATOM 670 CB TYR A 43 3.259 -3.941 -3.240 1.00 0.00 C ATOM 671 CG TYR A 43 1.895 -3.532 -3.748 1.00 0.00 C ATOM 672 CD1 TYR A 43 0.957 -2.961 -2.897 1.00 0.00 C ATOM 673 CD2 TYR A 43 1.545 -3.714 -5.081 1.00 0.00 C ATOM 674 CE1 TYR A 43 -0.291 -2.587 -3.358 1.00 0.00 C ATOM 675 CE2 TYR A 43 0.301 -3.341 -5.550 1.00 0.00 C ATOM 676 CZ TYR A 43 -0.614 -2.779 -4.685 1.00 0.00 C ATOM 677 OH TYR A 43 -1.855 -2.405 -5.147 1.00 0.00 O ATOM 0 H TYR A 43 3.705 -2.811 -1.081 1.00 0.00 H new ATOM 0 HA TYR A 43 2.245 -5.158 -1.788 1.00 0.00 H new ATOM 0 HB2 TYR A 43 3.881 -3.052 -3.137 1.00 0.00 H new ATOM 0 HB3 TYR A 43 3.737 -4.580 -3.982 1.00 0.00 H new ATOM 0 HD1 TYR A 43 1.207 -2.807 -1.858 1.00 0.00 H new ATOM 0 HD2 TYR A 43 2.258 -4.155 -5.762 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -1.010 -2.147 -2.683 1.00 0.00 H new ATOM 0 HE2 TYR A 43 0.046 -3.489 -6.589 1.00 0.00 H new ATOM 0 HH TYR A 43 -1.922 -2.607 -6.104 1.00 0.00 H new ATOM 687 N GLU A 44 5.524 -5.347 -1.563 1.00 0.00 N ATOM 688 CA GLU A 44 6.644 -6.278 -1.497 1.00 0.00 C ATOM 689 C GLU A 44 6.496 -7.226 -0.311 1.00 0.00 C ATOM 690 O GLU A 44 6.647 -8.439 -0.450 1.00 0.00 O ATOM 691 CB GLU A 44 7.965 -5.514 -1.392 1.00 0.00 C ATOM 692 CG GLU A 44 9.063 -6.069 -2.284 1.00 0.00 C ATOM 693 CD GLU A 44 10.285 -6.507 -1.501 1.00 0.00 C ATOM 694 OE1 GLU A 44 10.635 -5.826 -0.515 1.00 0.00 O ATOM 695 OE2 GLU A 44 10.891 -7.533 -1.875 1.00 0.00 O ATOM 0 H GLU A 44 5.768 -4.378 -1.360 1.00 0.00 H new ATOM 0 HA GLU A 44 6.646 -6.869 -2.413 1.00 0.00 H new ATOM 0 HB2 GLU A 44 7.792 -4.469 -1.651 1.00 0.00 H new ATOM 0 HB3 GLU A 44 8.305 -5.534 -0.357 1.00 0.00 H new ATOM 0 HG2 GLU A 44 8.674 -6.917 -2.848 1.00 0.00 H new ATOM 0 HG3 GLU A 44 9.354 -5.310 -3.010 1.00 0.00 H new ATOM 702 N ILE A 45 6.198 -6.663 0.854 1.00 0.00 N ATOM 703 CA ILE A 45 6.028 -7.456 2.065 1.00 0.00 C ATOM 704 C ILE A 45 4.826 -8.386 1.948 1.00 0.00 C ATOM 705 O ILE A 45 4.903 -9.563 2.299 1.00 0.00 O ATOM 706 CB ILE A 45 5.852 -6.560 3.306 1.00 0.00 C ATOM 707 CG1 ILE A 45 7.101 -5.705 3.526 1.00 0.00 C ATOM 708 CG2 ILE A 45 5.562 -7.409 4.535 1.00 0.00 C ATOM 709 CD1 ILE A 45 8.334 -6.510 3.870 1.00 0.00 C ATOM 0 H ILE A 45 6.069 -5.660 0.985 1.00 0.00 H new ATOM 0 HA ILE A 45 6.934 -8.050 2.183 1.00 0.00 H new ATOM 0 HB ILE A 45 5.004 -5.895 3.139 1.00 0.00 H new ATOM 0 HG12 ILE A 45 7.297 -5.124 2.625 1.00 0.00 H new ATOM 0 HG13 ILE A 45 6.907 -4.993 4.328 1.00 0.00 H new ATOM 0 HG21 ILE A 45 5.440 -6.762 5.404 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.647 -7.979 4.376 1.00 0.00 H new ATOM 0 HG23 ILE A 45 6.391 -8.095 4.707 1.00 0.00 H new ATOM 0 HD11 ILE A 45 9.180 -5.837 4.012 1.00 0.00 H new ATOM 0 HD12 ILE A 45 8.158 -7.070 4.788 1.00 0.00 H new ATOM 0 HD13 ILE A 45 8.554 -7.203 3.058 1.00 0.00 H new ATOM 721 N GLU A 46 3.716 -7.849 1.451 1.00 0.00 N ATOM 722 CA GLU A 46 2.497 -8.633 1.288 1.00 0.00 C ATOM 723 C GLU A 46 2.715 -9.781 0.306 1.00 0.00 C ATOM 724 O GLU A 46 2.353 -10.925 0.580 1.00 0.00 O ATOM 725 CB GLU A 46 1.353 -7.741 0.801 1.00 0.00 C ATOM 726 CG GLU A 46 0.005 -8.443 0.769 1.00 0.00 C ATOM 727 CD GLU A 46 -1.065 -7.685 1.533 1.00 0.00 C ATOM 728 OE1 GLU A 46 -0.849 -7.395 2.727 1.00 0.00 O ATOM 729 OE2 GLU A 46 -2.118 -7.382 0.932 1.00 0.00 O ATOM 0 H GLU A 46 3.636 -6.876 1.155 1.00 0.00 H new ATOM 0 HA GLU A 46 2.233 -9.054 2.258 1.00 0.00 H new ATOM 0 HB2 GLU A 46 1.283 -6.868 1.449 1.00 0.00 H new ATOM 0 HB3 GLU A 46 1.588 -7.377 -0.199 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -0.312 -8.567 -0.267 1.00 0.00 H new ATOM 0 HG3 GLU A 46 0.110 -9.442 1.192 1.00 0.00 H new ATOM 736 N LYS A 47 3.308 -9.466 -0.841 1.00 0.00 N ATOM 737 CA LYS A 47 3.577 -10.468 -1.865 1.00 0.00 C ATOM 738 C LYS A 47 4.476 -11.575 -1.320 1.00 0.00 C ATOM 739 O LYS A 47 4.197 -12.760 -1.499 1.00 0.00 O ATOM 740 CB LYS A 47 4.232 -9.818 -3.085 1.00 0.00 C ATOM 741 CG LYS A 47 4.228 -10.702 -4.320 1.00 0.00 C ATOM 742 CD LYS A 47 4.143 -9.878 -5.594 1.00 0.00 C ATOM 743 CE LYS A 47 5.170 -10.331 -6.621 1.00 0.00 C ATOM 744 NZ LYS A 47 4.924 -9.721 -7.957 1.00 0.00 N ATOM 0 H LYS A 47 3.612 -8.523 -1.085 1.00 0.00 H new ATOM 0 HA LYS A 47 2.627 -10.910 -2.164 1.00 0.00 H new ATOM 0 HB2 LYS A 47 3.713 -8.887 -3.313 1.00 0.00 H new ATOM 0 HB3 LYS A 47 5.261 -9.557 -2.839 1.00 0.00 H new ATOM 0 HG2 LYS A 47 5.133 -11.309 -4.337 1.00 0.00 H new ATOM 0 HG3 LYS A 47 3.384 -11.390 -4.273 1.00 0.00 H new ATOM 0 HD2 LYS A 47 3.142 -9.963 -6.017 1.00 0.00 H new ATOM 0 HD3 LYS A 47 4.302 -8.826 -5.359 1.00 0.00 H new ATOM 0 HE2 LYS A 47 6.169 -10.063 -6.278 1.00 0.00 H new ATOM 0 HE3 LYS A 47 5.143 -11.417 -6.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 5.645 -10.054 -8.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 3.980 -9.997 -8.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 4.975 -8.685 -7.880 1.00 0.00 H new ATOM 758 N THR A 48 5.556 -11.179 -0.654 1.00 0.00 N ATOM 759 CA THR A 48 6.496 -12.136 -0.084 1.00 0.00 C ATOM 760 C THR A 48 5.819 -13.013 0.964 1.00 0.00 C ATOM 761 O THR A 48 6.089 -14.210 1.053 1.00 0.00 O ATOM 762 CB THR A 48 7.702 -11.426 0.559 1.00 0.00 C ATOM 763 OG1 THR A 48 8.290 -10.516 -0.377 1.00 0.00 O ATOM 764 CG2 THR A 48 8.744 -12.435 1.016 1.00 0.00 C ATOM 0 H THR A 48 5.801 -10.202 -0.496 1.00 0.00 H new ATOM 0 HA THR A 48 6.848 -12.760 -0.905 1.00 0.00 H new ATOM 0 HB THR A 48 7.349 -10.874 1.430 1.00 0.00 H new ATOM 0 HG1 THR A 48 7.841 -9.647 -0.315 1.00 0.00 H new ATOM 0 HG21 THR A 48 9.586 -11.910 1.467 1.00 0.00 H new ATOM 0 HG22 THR A 48 8.301 -13.108 1.750 1.00 0.00 H new ATOM 0 HG23 THR A 48 9.093 -13.011 0.159 1.00 0.00 H new ATOM 772 N ASN A 49 4.938 -12.408 1.755 1.00 0.00 N ATOM 773 CA ASN A 49 4.223 -13.135 2.798 1.00 0.00 C ATOM 774 C ASN A 49 3.341 -14.225 2.194 1.00 0.00 C ATOM 775 O ASN A 49 3.426 -15.391 2.581 1.00 0.00 O ATOM 776 CB ASN A 49 3.369 -12.173 3.626 1.00 0.00 C ATOM 777 CG ASN A 49 3.982 -11.876 4.980 1.00 0.00 C ATOM 778 OD1 ASN A 49 4.357 -10.739 5.269 1.00 0.00 O ATOM 779 ND2 ASN A 49 4.085 -12.899 5.820 1.00 0.00 N ATOM 0 H ASN A 49 4.702 -11.417 1.694 1.00 0.00 H new ATOM 0 HA ASN A 49 4.960 -13.607 3.448 1.00 0.00 H new ATOM 0 HB2 ASN A 49 3.240 -11.241 3.076 1.00 0.00 H new ATOM 0 HB3 ASN A 49 2.376 -12.601 3.766 1.00 0.00 H new ATOM 0 HD21 ASN A 49 4.488 -12.759 6.747 1.00 0.00 H new ATOM 0 HD22 ASN A 49 3.761 -13.824 5.539 1.00 0.00 H new ATOM 786 N ILE A 50 2.497 -13.837 1.245 1.00 0.00 N ATOM 787 CA ILE A 50 1.603 -14.780 0.587 1.00 0.00 C ATOM 788 C ILE A 50 2.385 -15.903 -0.086 1.00 0.00 C ATOM 789 O ILE A 50 2.031 -17.076 0.031 1.00 0.00 O ATOM 790 CB ILE A 50 0.723 -14.081 -0.467 1.00 0.00 C ATOM 791 CG1 ILE A 50 -0.127 -12.990 0.189 1.00 0.00 C ATOM 792 CG2 ILE A 50 -0.162 -15.096 -1.175 1.00 0.00 C ATOM 793 CD1 ILE A 50 -1.131 -13.525 1.185 1.00 0.00 C ATOM 0 H ILE A 50 2.414 -12.876 0.915 1.00 0.00 H new ATOM 0 HA ILE A 50 0.963 -15.200 1.363 1.00 0.00 H new ATOM 0 HB ILE A 50 1.371 -13.614 -1.208 1.00 0.00 H new ATOM 0 HG12 ILE A 50 0.531 -12.282 0.693 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -0.656 -12.437 -0.587 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -0.778 -14.587 -1.917 1.00 0.00 H new ATOM 0 HG22 ILE A 50 0.462 -15.840 -1.670 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -0.805 -15.589 -0.446 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -1.698 -12.697 1.611 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -1.813 -14.211 0.682 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -0.607 -14.053 1.982 1.00 0.00 H new ATOM 805 N VAL A 51 3.452 -15.536 -0.788 1.00 0.00 N ATOM 806 CA VAL A 51 4.287 -16.513 -1.476 1.00 0.00 C ATOM 807 C VAL A 51 4.964 -17.453 -0.485 1.00 0.00 C ATOM 808 O VAL A 51 5.148 -18.638 -0.765 1.00 0.00 O ATOM 809 CB VAL A 51 5.367 -15.824 -2.332 1.00 0.00 C ATOM 810 CG1 VAL A 51 6.258 -16.858 -3.002 1.00 0.00 C ATOM 811 CG2 VAL A 51 4.724 -14.912 -3.367 1.00 0.00 C ATOM 0 H VAL A 51 3.759 -14.569 -0.895 1.00 0.00 H new ATOM 0 HA VAL A 51 3.629 -17.089 -2.127 1.00 0.00 H new ATOM 0 HB VAL A 51 5.989 -15.213 -1.678 1.00 0.00 H new ATOM 0 HG11 VAL A 51 7.014 -16.352 -3.602 1.00 0.00 H new ATOM 0 HG12 VAL A 51 6.746 -17.466 -2.240 1.00 0.00 H new ATOM 0 HG13 VAL A 51 5.653 -17.498 -3.645 1.00 0.00 H new ATOM 0 HG21 VAL A 51 5.501 -14.433 -3.963 1.00 0.00 H new ATOM 0 HG22 VAL A 51 4.078 -15.500 -4.018 1.00 0.00 H new ATOM 0 HG23 VAL A 51 4.132 -14.149 -2.862 1.00 0.00 H new ATOM 821 N ARG A 52 5.331 -16.918 0.674 1.00 0.00 N ATOM 822 CA ARG A 52 5.988 -17.709 1.707 1.00 0.00 C ATOM 823 C ARG A 52 5.037 -18.758 2.276 1.00 0.00 C ATOM 824 O ARG A 52 5.391 -19.930 2.397 1.00 0.00 O ATOM 825 CB ARG A 52 6.492 -16.801 2.831 1.00 0.00 C ATOM 826 CG ARG A 52 8.007 -16.672 2.875 1.00 0.00 C ATOM 827 CD ARG A 52 8.478 -15.402 2.185 1.00 0.00 C ATOM 828 NE ARG A 52 9.901 -15.155 2.404 1.00 0.00 N ATOM 829 CZ ARG A 52 10.866 -15.867 1.832 1.00 0.00 C ATOM 830 NH1 ARG A 52 10.563 -16.862 1.011 1.00 0.00 N ATOM 831 NH2 ARG A 52 12.137 -15.581 2.081 1.00 0.00 N ATOM 0 H ARG A 52 5.185 -15.939 0.922 1.00 0.00 H new ATOM 0 HA ARG A 52 6.837 -18.220 1.253 1.00 0.00 H new ATOM 0 HB2 ARG A 52 6.054 -15.810 2.710 1.00 0.00 H new ATOM 0 HB3 ARG A 52 6.141 -17.190 3.787 1.00 0.00 H new ATOM 0 HG2 ARG A 52 8.343 -16.670 3.912 1.00 0.00 H new ATOM 0 HG3 ARG A 52 8.461 -17.538 2.394 1.00 0.00 H new ATOM 0 HD2 ARG A 52 8.284 -15.477 1.115 1.00 0.00 H new ATOM 0 HD3 ARG A 52 7.902 -14.554 2.555 1.00 0.00 H new ATOM 0 HE ARG A 52 10.168 -14.395 3.030 1.00 0.00 H new ATOM 0 HH11 ARG A 52 9.586 -17.083 0.816 1.00 0.00 H new ATOM 0 HH12 ARG A 52 11.306 -17.407 0.574 1.00 0.00 H new ATOM 0 HH21 ARG A 52 12.373 -14.815 2.711 1.00 0.00 H new ATOM 0 HH22 ARG A 52 12.878 -16.127 1.642 1.00 0.00 H new ATOM 845 N ASN A 53 3.827 -18.328 2.621 1.00 0.00 N ATOM 846 CA ASN A 53 2.825 -19.230 3.178 1.00 0.00 C ATOM 847 C ASN A 53 2.415 -20.285 2.154 1.00 0.00 C ATOM 848 O ASN A 53 2.355 -21.474 2.465 1.00 0.00 O ATOM 849 CB ASN A 53 1.596 -18.441 3.634 1.00 0.00 C ATOM 850 CG ASN A 53 0.391 -19.331 3.866 1.00 0.00 C ATOM 851 OD1 ASN A 53 0.503 -20.243 4.826 1.00 0.00 O flip ATOM 852 ND2 ASN A 53 -0.630 -19.202 3.189 1.00 0.00 N flip ATOM 0 H ASN A 53 3.517 -17.361 2.525 1.00 0.00 H new ATOM 0 HA ASN A 53 3.264 -19.735 4.039 1.00 0.00 H new ATOM 0 HB2 ASN A 53 1.832 -17.906 4.554 1.00 0.00 H new ATOM 0 HB3 ASN A 53 1.350 -17.690 2.883 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -0.673 -18.488 2.462 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -1.433 -19.809 3.356 1.00 0.00 H new ATOM 859 N GLU A 54 2.133 -19.840 0.934 1.00 0.00 N ATOM 860 CA GLU A 54 1.729 -20.745 -0.135 1.00 0.00 C ATOM 861 C GLU A 54 2.807 -21.792 -0.399 1.00 0.00 C ATOM 862 O GLU A 54 2.522 -22.986 -0.491 1.00 0.00 O ATOM 863 CB GLU A 54 1.440 -19.961 -1.417 1.00 0.00 C ATOM 864 CG GLU A 54 0.110 -19.226 -1.393 1.00 0.00 C ATOM 865 CD GLU A 54 -1.067 -20.141 -1.673 1.00 0.00 C ATOM 866 OE1 GLU A 54 -1.531 -20.814 -0.730 1.00 0.00 O ATOM 867 OE2 GLU A 54 -1.523 -20.184 -2.835 1.00 0.00 O ATOM 0 H GLU A 54 2.177 -18.858 0.661 1.00 0.00 H new ATOM 0 HA GLU A 54 0.820 -21.256 0.182 1.00 0.00 H new ATOM 0 HB2 GLU A 54 2.241 -19.240 -1.581 1.00 0.00 H new ATOM 0 HB3 GLU A 54 1.451 -20.648 -2.263 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -0.024 -18.756 -0.419 1.00 0.00 H new ATOM 0 HG3 GLU A 54 0.128 -18.426 -2.133 1.00 0.00 H new ATOM 874 N THR A 55 4.050 -21.335 -0.519 1.00 0.00 N ATOM 875 CA THR A 55 5.172 -22.231 -0.774 1.00 0.00 C ATOM 876 C THR A 55 5.374 -23.202 0.383 1.00 0.00 C ATOM 877 O THR A 55 5.608 -24.391 0.173 1.00 0.00 O ATOM 878 CB THR A 55 6.477 -21.444 -1.004 1.00 0.00 C ATOM 879 OG1 THR A 55 6.334 -20.577 -2.135 1.00 0.00 O ATOM 880 CG2 THR A 55 7.647 -22.390 -1.228 1.00 0.00 C ATOM 0 H THR A 55 4.305 -20.350 -0.444 1.00 0.00 H new ATOM 0 HA THR A 55 4.931 -22.792 -1.677 1.00 0.00 H new ATOM 0 HB THR A 55 6.678 -20.848 -0.114 1.00 0.00 H new ATOM 0 HG1 THR A 55 5.893 -19.747 -1.857 1.00 0.00 H new ATOM 0 HG21 THR A 55 8.557 -21.812 -1.388 1.00 0.00 H new ATOM 0 HG22 THR A 55 7.772 -23.028 -0.353 1.00 0.00 H new ATOM 0 HG23 THR A 55 7.452 -23.009 -2.104 1.00 0.00 H new ATOM 888 N ASN A 56 5.281 -22.687 1.604 1.00 0.00 N ATOM 889 CA ASN A 56 5.453 -23.510 2.796 1.00 0.00 C ATOM 890 C ASN A 56 4.362 -24.572 2.887 1.00 0.00 C ATOM 891 O ASN A 56 4.620 -25.712 3.268 1.00 0.00 O ATOM 892 CB ASN A 56 5.436 -22.636 4.052 1.00 0.00 C ATOM 893 CG ASN A 56 6.071 -23.326 5.244 1.00 0.00 C ATOM 894 OD1 ASN A 56 7.292 -23.315 5.405 1.00 0.00 O ATOM 895 ND2 ASN A 56 5.243 -23.931 6.088 1.00 0.00 N ATOM 0 H ASN A 56 5.088 -21.704 1.795 1.00 0.00 H new ATOM 0 HA ASN A 56 6.418 -24.012 2.724 1.00 0.00 H new ATOM 0 HB2 ASN A 56 5.965 -21.704 3.850 1.00 0.00 H new ATOM 0 HB3 ASN A 56 4.406 -22.372 4.294 1.00 0.00 H new ATOM 0 HD21 ASN A 56 5.612 -24.411 6.908 1.00 0.00 H new ATOM 0 HD22 ASN A 56 4.238 -23.915 5.916 1.00 0.00 H new ATOM 902 N ASN A 57 3.140 -24.188 2.532 1.00 0.00 N ATOM 903 CA ASN A 57 2.008 -25.106 2.573 1.00 0.00 C ATOM 904 C ASN A 57 2.182 -26.229 1.555 1.00 0.00 C ATOM 905 O ASN A 57 2.138 -27.409 1.905 1.00 0.00 O ATOM 906 CB ASN A 57 0.703 -24.354 2.301 1.00 0.00 C ATOM 907 CG ASN A 57 -0.091 -24.098 3.566 1.00 0.00 C ATOM 908 OD1 ASN A 57 -0.308 -25.003 4.370 1.00 0.00 O ATOM 909 ND2 ASN A 57 -0.531 -22.858 3.748 1.00 0.00 N ATOM 0 H ASN A 57 2.909 -23.247 2.213 1.00 0.00 H new ATOM 0 HA ASN A 57 1.965 -25.545 3.570 1.00 0.00 H new ATOM 0 HB2 ASN A 57 0.929 -23.403 1.818 1.00 0.00 H new ATOM 0 HB3 ASN A 57 0.094 -24.929 1.603 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -1.072 -22.626 4.581 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -0.328 -22.138 3.055 1.00 0.00 H new ATOM 916 N ILE A 58 2.379 -25.854 0.295 1.00 0.00 N ATOM 917 CA ILE A 58 2.561 -26.829 -0.772 1.00 0.00 C ATOM 918 C ILE A 58 3.794 -27.692 -0.524 1.00 0.00 C ATOM 919 O ILE A 58 3.755 -28.910 -0.692 1.00 0.00 O ATOM 920 CB ILE A 58 2.695 -26.144 -2.144 1.00 0.00 C ATOM 921 CG1 ILE A 58 1.457 -25.293 -2.437 1.00 0.00 C ATOM 922 CG2 ILE A 58 2.903 -27.182 -3.238 1.00 0.00 C ATOM 923 CD1 ILE A 58 0.186 -26.102 -2.564 1.00 0.00 C ATOM 0 H ILE A 58 2.417 -24.882 -0.011 1.00 0.00 H new ATOM 0 HA ILE A 58 1.673 -27.461 -0.776 1.00 0.00 H new ATOM 0 HB ILE A 58 3.566 -25.489 -2.122 1.00 0.00 H new ATOM 0 HG12 ILE A 58 1.333 -24.559 -1.640 1.00 0.00 H new ATOM 0 HG13 ILE A 58 1.618 -24.737 -3.360 1.00 0.00 H new ATOM 0 HG21 ILE A 58 2.996 -26.681 -4.202 1.00 0.00 H new ATOM 0 HG22 ILE A 58 3.812 -27.748 -3.034 1.00 0.00 H new ATOM 0 HG23 ILE A 58 2.050 -27.861 -3.262 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -0.651 -25.435 -2.771 1.00 0.00 H new ATOM 0 HD12 ILE A 58 0.290 -26.818 -3.379 1.00 0.00 H new ATOM 0 HD13 ILE A 58 0.001 -26.637 -1.633 1.00 0.00 H new ATOM 935 N ASP A 59 4.887 -27.051 -0.122 1.00 0.00 N ATOM 936 CA ASP A 59 6.131 -27.759 0.153 1.00 0.00 C ATOM 937 C ASP A 59 5.959 -28.728 1.318 1.00 0.00 C ATOM 938 O ASP A 59 6.457 -29.852 1.283 1.00 0.00 O ATOM 939 CB ASP A 59 7.252 -26.765 0.460 1.00 0.00 C ATOM 940 CG ASP A 59 8.593 -27.445 0.652 1.00 0.00 C ATOM 941 OD1 ASP A 59 8.816 -28.503 0.027 1.00 0.00 O ATOM 942 OD2 ASP A 59 9.419 -26.920 1.428 1.00 0.00 O ATOM 0 H ASP A 59 4.936 -26.042 0.020 1.00 0.00 H new ATOM 0 HA ASP A 59 6.398 -28.332 -0.735 1.00 0.00 H new ATOM 0 HB2 ASP A 59 7.327 -26.044 -0.354 1.00 0.00 H new ATOM 0 HB3 ASP A 59 7.000 -26.205 1.360 1.00 0.00 H new ATOM 947 N GLY A 60 5.252 -28.282 2.352 1.00 0.00 N ATOM 948 CA GLY A 60 5.029 -29.122 3.515 1.00 0.00 C ATOM 949 C GLY A 60 4.137 -30.309 3.210 1.00 0.00 C ATOM 950 O GLY A 60 4.346 -31.401 3.736 1.00 0.00 O ATOM 0 H GLY A 60 4.830 -27.355 2.405 1.00 0.00 H new ATOM 0 HA2 GLY A 60 5.988 -29.479 3.891 1.00 0.00 H new ATOM 0 HA3 GLY A 60 4.577 -28.526 4.308 1.00 0.00 H new ATOM 954 N ASN A 61 3.138 -30.094 2.361 1.00 0.00 N ATOM 955 CA ASN A 61 2.209 -31.155 1.989 1.00 0.00 C ATOM 956 C ASN A 61 2.900 -32.204 1.122 1.00 0.00 C ATOM 957 O ASN A 61 2.753 -33.405 1.347 1.00 0.00 O ATOM 958 CB ASN A 61 1.008 -30.572 1.242 1.00 0.00 C ATOM 959 CG ASN A 61 -0.238 -31.421 1.399 1.00 0.00 C ATOM 960 OD1 ASN A 61 -0.788 -31.924 0.419 1.00 0.00 O ATOM 961 ND2 ASN A 61 -0.691 -31.583 2.637 1.00 0.00 N ATOM 0 H ASN A 61 2.951 -29.195 1.917 1.00 0.00 H new ATOM 0 HA ASN A 61 1.861 -31.636 2.903 1.00 0.00 H new ATOM 0 HB2 ASN A 61 0.808 -29.566 1.611 1.00 0.00 H new ATOM 0 HB3 ASN A 61 1.251 -30.481 0.183 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -1.527 -32.143 2.805 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -0.203 -31.147 3.420 1.00 0.00 H new ATOM 968 N PHE A 62 3.655 -31.741 0.131 1.00 0.00 N ATOM 969 CA PHE A 62 4.369 -32.638 -0.769 1.00 0.00 C ATOM 970 C PHE A 62 5.510 -33.343 -0.042 1.00 0.00 C ATOM 971 O PHE A 62 5.782 -34.520 -0.282 1.00 0.00 O ATOM 972 CB PHE A 62 4.916 -31.862 -1.969 1.00 0.00 C ATOM 973 CG PHE A 62 3.889 -31.599 -3.032 1.00 0.00 C ATOM 974 CD1 PHE A 62 2.720 -30.920 -2.730 1.00 0.00 C ATOM 975 CD2 PHE A 62 4.092 -32.031 -4.332 1.00 0.00 C ATOM 976 CE1 PHE A 62 1.772 -30.677 -3.708 1.00 0.00 C ATOM 977 CE2 PHE A 62 3.149 -31.791 -5.313 1.00 0.00 C ATOM 978 CZ PHE A 62 1.987 -31.112 -5.001 1.00 0.00 C ATOM 0 H PHE A 62 3.788 -30.750 -0.069 1.00 0.00 H new ATOM 0 HA PHE A 62 3.666 -33.392 -1.123 1.00 0.00 H new ATOM 0 HB2 PHE A 62 5.320 -30.911 -1.623 1.00 0.00 H new ATOM 0 HB3 PHE A 62 5.744 -32.420 -2.406 1.00 0.00 H new ATOM 0 HD1 PHE A 62 2.547 -30.577 -1.721 1.00 0.00 H new ATOM 0 HD2 PHE A 62 4.999 -32.562 -4.582 1.00 0.00 H new ATOM 0 HE1 PHE A 62 0.864 -30.147 -3.460 1.00 0.00 H new ATOM 0 HE2 PHE A 62 3.320 -32.134 -6.323 1.00 0.00 H new ATOM 0 HZ PHE A 62 1.249 -30.922 -5.766 1.00 0.00 H new ATOM 988 N LYS A 63 6.176 -32.616 0.848 1.00 0.00 N ATOM 989 CA LYS A 63 7.288 -33.170 1.612 1.00 0.00 C ATOM 990 C LYS A 63 6.793 -34.199 2.624 1.00 0.00 C ATOM 991 O LYS A 63 7.375 -35.274 2.764 1.00 0.00 O ATOM 992 CB LYS A 63 8.045 -32.053 2.333 1.00 0.00 C ATOM 993 CG LYS A 63 9.273 -32.536 3.085 1.00 0.00 C ATOM 994 CD LYS A 63 8.974 -32.754 4.559 1.00 0.00 C ATOM 995 CE LYS A 63 10.248 -32.763 5.390 1.00 0.00 C ATOM 996 NZ LYS A 63 10.814 -34.134 5.523 1.00 0.00 N ATOM 0 H LYS A 63 5.965 -31.641 1.059 1.00 0.00 H new ATOM 0 HA LYS A 63 7.963 -33.667 0.915 1.00 0.00 H new ATOM 0 HB2 LYS A 63 8.348 -31.302 1.604 1.00 0.00 H new ATOM 0 HB3 LYS A 63 7.370 -31.562 3.034 1.00 0.00 H new ATOM 0 HG2 LYS A 63 9.628 -33.467 2.643 1.00 0.00 H new ATOM 0 HG3 LYS A 63 10.076 -31.806 2.980 1.00 0.00 H new ATOM 0 HD2 LYS A 63 8.310 -31.967 4.917 1.00 0.00 H new ATOM 0 HD3 LYS A 63 8.447 -33.699 4.689 1.00 0.00 H new ATOM 0 HE2 LYS A 63 10.987 -32.108 4.929 1.00 0.00 H new ATOM 0 HE3 LYS A 63 10.038 -32.359 6.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 11.833 -34.071 5.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 10.341 -34.630 6.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 10.663 -34.659 4.638 1.00 0.00 H new ATOM 1010 N SER A 64 5.717 -33.861 3.327 1.00 0.00 N ATOM 1011 CA SER A 64 5.146 -34.755 4.327 1.00 0.00 C ATOM 1012 C SER A 64 4.542 -35.992 3.668 1.00 0.00 C ATOM 1013 O SER A 64 4.729 -37.115 4.140 1.00 0.00 O ATOM 1014 CB SER A 64 4.077 -34.025 5.143 1.00 0.00 C ATOM 1015 OG SER A 64 3.498 -34.884 6.110 1.00 0.00 O ATOM 0 H SER A 64 5.223 -32.975 3.222 1.00 0.00 H new ATOM 0 HA SER A 64 5.947 -35.074 4.994 1.00 0.00 H new ATOM 0 HB2 SER A 64 4.520 -33.161 5.638 1.00 0.00 H new ATOM 0 HB3 SER A 64 3.301 -33.647 4.477 1.00 0.00 H new ATOM 0 HG SER A 64 2.819 -34.393 6.619 1.00 0.00 H new ATOM 1021 N LYS A 65 3.816 -35.779 2.577 1.00 0.00 N ATOM 1022 CA LYS A 65 3.185 -36.875 1.851 1.00 0.00 C ATOM 1023 C LYS A 65 4.233 -37.793 1.232 1.00 0.00 C ATOM 1024 O LYS A 65 4.147 -39.016 1.344 1.00 0.00 O ATOM 1025 CB LYS A 65 2.263 -36.327 0.759 1.00 0.00 C ATOM 1026 CG LYS A 65 1.425 -37.395 0.078 1.00 0.00 C ATOM 1027 CD LYS A 65 0.072 -36.853 -0.351 1.00 0.00 C ATOM 1028 CE LYS A 65 -0.883 -37.974 -0.732 1.00 0.00 C ATOM 1029 NZ LYS A 65 -2.219 -37.452 -1.131 1.00 0.00 N ATOM 0 H LYS A 65 3.649 -34.856 2.175 1.00 0.00 H new ATOM 0 HA LYS A 65 2.594 -37.454 2.560 1.00 0.00 H new ATOM 0 HB2 LYS A 65 1.600 -35.581 1.196 1.00 0.00 H new ATOM 0 HB3 LYS A 65 2.866 -35.817 0.008 1.00 0.00 H new ATOM 0 HG2 LYS A 65 1.958 -37.776 -0.793 1.00 0.00 H new ATOM 0 HG3 LYS A 65 1.282 -38.235 0.758 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -0.360 -36.266 0.460 1.00 0.00 H new ATOM 0 HD3 LYS A 65 0.201 -36.180 -1.198 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -0.458 -38.550 -1.554 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -0.996 -38.657 0.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -2.841 -38.246 -1.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -2.636 -36.924 -0.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -2.114 -36.821 -1.951 1.00 0.00 H new ATOM 1043 N LEU A 66 5.225 -37.196 0.579 1.00 0.00 N ATOM 1044 CA LEU A 66 6.292 -37.961 -0.056 1.00 0.00 C ATOM 1045 C LEU A 66 7.066 -38.777 0.975 1.00 0.00 C ATOM 1046 O LEU A 66 7.289 -39.975 0.795 1.00 0.00 O ATOM 1047 CB LEU A 66 7.245 -37.024 -0.800 1.00 0.00 C ATOM 1048 CG LEU A 66 8.271 -37.694 -1.714 1.00 0.00 C ATOM 1049 CD1 LEU A 66 7.942 -37.425 -3.173 1.00 0.00 C ATOM 1050 CD2 LEU A 66 9.675 -37.214 -1.384 1.00 0.00 C ATOM 0 H LEU A 66 5.312 -36.185 0.476 1.00 0.00 H new ATOM 0 HA LEU A 66 5.837 -38.648 -0.769 1.00 0.00 H new ATOM 0 HB2 LEU A 66 6.650 -36.335 -1.399 1.00 0.00 H new ATOM 0 HB3 LEU A 66 7.781 -36.425 -0.064 1.00 0.00 H new ATOM 0 HG LEU A 66 8.229 -38.770 -1.546 1.00 0.00 H new ATOM 0 HD11 LEU A 66 8.683 -37.910 -3.808 1.00 0.00 H new ATOM 0 HD12 LEU A 66 6.953 -37.821 -3.402 1.00 0.00 H new ATOM 0 HD13 LEU A 66 7.954 -36.351 -3.357 1.00 0.00 H new ATOM 0 HD21 LEU A 66 10.391 -37.702 -2.045 1.00 0.00 H new ATOM 0 HD22 LEU A 66 9.732 -36.134 -1.521 1.00 0.00 H new ATOM 0 HD23 LEU A 66 9.910 -37.461 -0.349 1.00 0.00 H new ATOM 1062 N LYS A 67 7.472 -38.121 2.056 1.00 0.00 N ATOM 1063 CA LYS A 67 8.218 -38.785 3.119 1.00 0.00 C ATOM 1064 C LYS A 67 7.380 -39.880 3.771 1.00 0.00 C ATOM 1065 O LYS A 67 7.891 -40.944 4.119 1.00 0.00 O ATOM 1066 CB LYS A 67 8.656 -37.768 4.175 1.00 0.00 C ATOM 1067 CG LYS A 67 9.596 -38.343 5.221 1.00 0.00 C ATOM 1068 CD LYS A 67 9.565 -37.531 6.505 1.00 0.00 C ATOM 1069 CE LYS A 67 9.745 -38.417 7.728 1.00 0.00 C ATOM 1070 NZ LYS A 67 8.526 -39.222 8.016 1.00 0.00 N ATOM 0 H LYS A 67 7.297 -37.130 2.220 1.00 0.00 H new ATOM 0 HA LYS A 67 9.102 -39.244 2.675 1.00 0.00 H new ATOM 0 HB2 LYS A 67 9.147 -36.930 3.679 1.00 0.00 H new ATOM 0 HB3 LYS A 67 7.772 -37.370 4.673 1.00 0.00 H new ATOM 0 HG2 LYS A 67 9.316 -39.375 5.435 1.00 0.00 H new ATOM 0 HG3 LYS A 67 10.612 -38.363 4.827 1.00 0.00 H new ATOM 0 HD2 LYS A 67 10.353 -36.778 6.480 1.00 0.00 H new ATOM 0 HD3 LYS A 67 8.617 -36.998 6.577 1.00 0.00 H new ATOM 0 HE2 LYS A 67 10.592 -39.085 7.571 1.00 0.00 H new ATOM 0 HE3 LYS A 67 9.984 -37.798 8.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 8.587 -39.612 8.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 7.684 -38.616 7.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 8.455 -40.001 7.331 1.00 0.00 H new ATOM 1084 N LYS A 68 6.088 -39.613 3.930 1.00 0.00 N ATOM 1085 CA LYS A 68 5.177 -40.577 4.536 1.00 0.00 C ATOM 1086 C LYS A 68 5.009 -41.802 3.645 1.00 0.00 C ATOM 1087 O LYS A 68 4.907 -42.928 4.133 1.00 0.00 O ATOM 1088 CB LYS A 68 3.814 -39.929 4.793 1.00 0.00 C ATOM 1089 CG LYS A 68 2.870 -40.798 5.607 1.00 0.00 C ATOM 1090 CD LYS A 68 1.459 -40.236 5.613 1.00 0.00 C ATOM 1091 CE LYS A 68 0.655 -40.736 4.422 1.00 0.00 C ATOM 1092 NZ LYS A 68 -0.789 -40.393 4.545 1.00 0.00 N ATOM 0 H LYS A 68 5.648 -38.737 3.648 1.00 0.00 H new ATOM 0 HA LYS A 68 5.606 -40.897 5.486 1.00 0.00 H new ATOM 0 HB2 LYS A 68 3.963 -38.983 5.314 1.00 0.00 H new ATOM 0 HB3 LYS A 68 3.346 -39.696 3.837 1.00 0.00 H new ATOM 0 HG2 LYS A 68 2.859 -41.808 5.196 1.00 0.00 H new ATOM 0 HG3 LYS A 68 3.236 -40.874 6.631 1.00 0.00 H new ATOM 0 HD2 LYS A 68 0.957 -40.520 6.538 1.00 0.00 H new ATOM 0 HD3 LYS A 68 1.500 -39.147 5.594 1.00 0.00 H new ATOM 0 HE2 LYS A 68 1.055 -40.302 3.506 1.00 0.00 H new ATOM 0 HE3 LYS A 68 0.766 -41.817 4.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -1.303 -40.751 3.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -1.177 -40.828 5.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -0.897 -39.360 4.600 1.00 0.00 H new ATOM 1106 N ALA A 69 4.982 -41.577 2.335 1.00 0.00 N ATOM 1107 CA ALA A 69 4.830 -42.664 1.376 1.00 0.00 C ATOM 1108 C ALA A 69 5.996 -43.643 1.466 1.00 0.00 C ATOM 1109 O ALA A 69 5.803 -44.858 1.413 1.00 0.00 O ATOM 1110 CB ALA A 69 4.713 -42.110 -0.036 1.00 0.00 C ATOM 0 H ALA A 69 5.063 -40.652 1.914 1.00 0.00 H new ATOM 0 HA ALA A 69 3.915 -43.205 1.620 1.00 0.00 H new ATOM 0 HB1 ALA A 69 4.600 -42.933 -0.742 1.00 0.00 H new ATOM 0 HB2 ALA A 69 3.843 -41.456 -0.099 1.00 0.00 H new ATOM 0 HB3 ALA A 69 5.612 -41.544 -0.280 1.00 0.00 H new