USER MOD reduce.3.24.130724 H: found=0, std=0, add=628, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 628 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 18 ASN : amide:sc= -1.67! K(o=-4.6!,f=-3.4) USER MOD Set 1.2: A 87 GLN : amide:sc= -2.95! C(o=-4.6!,f=-7.8!) USER MOD Set 2.1: A 80 MET CE :methyl -139:sc= -4.2! (180deg=-1.69) USER MOD Set 2.2: A 84 GLN : amide:sc= -3.91! K(o=-8.1!,f=-4.7) USER MOD Set 3.1: A 14 GLN : amide:sc= 0.699 K(o=1.5,f=-5.9!) USER MOD Set 3.2: A 31 SER OG : rot 46:sc= 0.842 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= -0.0166 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= -1.55 K(o=-1.5,f=-0.94) USER MOD Single : A 26 GLN : amide:sc= -8.71! C(o=-8.7!,f=-10!) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 MET CE :methyl -176:sc= -1.6 (180deg=-1.69) USER MOD Single : A 46 LYS NZ :NH3+ -161:sc= -0.0472 (180deg=-0.35) USER MOD Single : A 48 SER OG : rot 91:sc= -0.327 USER MOD Single : A 52 ASN : amide:sc= -0.267 K(o=-0.27,f=-2.3!) USER MOD Single : A 53 THR OG1 : rot 43:sc= 0.0323 USER MOD Single : A 55 GLN : amide:sc= -0.208 X(o=-0.21,f=-0.18) USER MOD Single : A 57 LYS NZ :NH3+ 156:sc= -0.154 (180deg=-0.555) USER MOD Single : A 58 TYR OH : rot 165:sc= 0 USER MOD Single : A 63 ASN : amide:sc= -0.344 X(o=-0.34,f=-0.61) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= -3.53 X(o=-3.5,f=-3.7!) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= 0.722 K(o=0.72,f=-0.99) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 ASN : amide:sc= -0.58 K(o=-0.58,f=-2.4!) USER MOD Single : A 89 GLN : amide:sc= -0.34 X(o=-0.34,f=-0.065) USER MOD Single : A 90 MET CE :methyl -111:sc= -0.407 (180deg=-1.69!) USER MOD Single : A 91 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 93 HIS : no HD1:sc= -0.0584 X(o=-0.058,f=-0.12) USER MOD ----------------------------------------------------------------- ATOM 154 N GLN A 14 -1.905 -9.829 9.029 1.00 0.00 N ATOM 155 CA GLN A 14 -0.549 -9.422 8.703 1.00 0.00 C ATOM 156 C GLN A 14 -0.318 -9.507 7.193 1.00 0.00 C ATOM 157 O GLN A 14 -0.080 -10.588 6.657 1.00 0.00 O ATOM 158 CB GLN A 14 0.475 -10.269 9.461 1.00 0.00 C ATOM 159 CG GLN A 14 0.481 -9.919 10.951 1.00 0.00 C ATOM 160 CD GLN A 14 -0.599 -10.700 11.702 1.00 0.00 C ATOM 161 OE1 GLN A 14 -1.608 -10.162 12.127 1.00 0.00 O ATOM 162 NE2 GLN A 14 -0.331 -11.995 11.842 1.00 0.00 N ATOM 0 HA GLN A 14 -0.417 -8.386 9.014 1.00 0.00 H new ATOM 0 HB2 GLN A 14 0.244 -11.326 9.333 1.00 0.00 H new ATOM 0 HB3 GLN A 14 1.468 -10.107 9.042 1.00 0.00 H new ATOM 0 HG2 GLN A 14 1.459 -10.143 11.377 1.00 0.00 H new ATOM 0 HG3 GLN A 14 0.315 -8.849 11.078 1.00 0.00 H new ATOM 0 HE21 GLN A 14 0.533 -12.381 11.462 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -0.990 -12.602 12.330 1.00 0.00 H new ATOM 171 N VAL A 15 -0.398 -8.351 6.549 1.00 0.00 N ATOM 172 CA VAL A 15 -0.201 -8.281 5.111 1.00 0.00 C ATOM 173 C VAL A 15 1.194 -7.725 4.818 1.00 0.00 C ATOM 174 O VAL A 15 1.663 -6.820 5.507 1.00 0.00 O ATOM 175 CB VAL A 15 -1.320 -7.458 4.469 1.00 0.00 C ATOM 176 CG1 VAL A 15 -0.884 -6.905 3.111 1.00 0.00 C ATOM 177 CG2 VAL A 15 -2.602 -8.282 4.340 1.00 0.00 C ATOM 0 H VAL A 15 -0.596 -7.456 6.997 1.00 0.00 H new ATOM 0 HA VAL A 15 -0.253 -9.276 4.669 1.00 0.00 H new ATOM 0 HB VAL A 15 -1.531 -6.612 5.123 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -1.698 -6.324 2.676 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -0.011 -6.265 3.242 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -0.632 -7.731 2.446 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -3.381 -7.673 3.881 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -2.411 -9.157 3.718 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -2.929 -8.604 5.329 1.00 0.00 H new ATOM 187 N THR A 16 1.818 -8.289 3.794 1.00 0.00 N ATOM 188 CA THR A 16 3.150 -7.860 3.402 1.00 0.00 C ATOM 189 C THR A 16 3.069 -6.848 2.257 1.00 0.00 C ATOM 190 O THR A 16 2.735 -7.207 1.129 1.00 0.00 O ATOM 191 CB THR A 16 3.964 -9.108 3.053 1.00 0.00 C ATOM 192 OG1 THR A 16 3.885 -9.913 4.226 1.00 0.00 O ATOM 193 CG2 THR A 16 5.457 -8.810 2.904 1.00 0.00 C ATOM 0 H THR A 16 1.426 -9.039 3.224 1.00 0.00 H new ATOM 0 HA THR A 16 3.655 -7.342 4.217 1.00 0.00 H new ATOM 0 HB THR A 16 3.587 -9.541 2.126 1.00 0.00 H new ATOM 0 HG1 THR A 16 4.385 -10.744 4.087 1.00 0.00 H new ATOM 0 HG21 THR A 16 5.988 -9.729 2.656 1.00 0.00 H new ATOM 0 HG22 THR A 16 5.605 -8.080 2.108 1.00 0.00 H new ATOM 0 HG23 THR A 16 5.843 -8.409 3.841 1.00 0.00 H new ATOM 201 N LEU A 17 3.379 -5.603 2.588 1.00 0.00 N ATOM 202 CA LEU A 17 3.346 -4.536 1.602 1.00 0.00 C ATOM 203 C LEU A 17 4.740 -4.365 0.995 1.00 0.00 C ATOM 204 O LEU A 17 5.607 -3.730 1.593 1.00 0.00 O ATOM 205 CB LEU A 17 2.781 -3.255 2.219 1.00 0.00 C ATOM 206 CG LEU A 17 1.346 -3.338 2.743 1.00 0.00 C ATOM 207 CD1 LEU A 17 0.970 -2.072 3.515 1.00 0.00 C ATOM 208 CD2 LEU A 17 0.364 -3.630 1.607 1.00 0.00 C ATOM 0 H LEU A 17 3.654 -5.309 3.525 1.00 0.00 H new ATOM 0 HA LEU A 17 2.672 -4.792 0.784 1.00 0.00 H new ATOM 0 HB2 LEU A 17 3.430 -2.955 3.042 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.828 -2.464 1.471 1.00 0.00 H new ATOM 0 HG LEU A 17 1.285 -4.171 3.443 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.055 -2.157 3.876 1.00 0.00 H new ATOM 0 HD12 LEU A 17 1.645 -1.949 4.362 1.00 0.00 H new ATOM 0 HD13 LEU A 17 1.052 -1.207 2.857 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.649 -3.684 2.006 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.419 -2.834 0.865 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.621 -4.581 1.139 1.00 0.00 H new ATOM 220 N ASN A 18 4.911 -4.942 -0.185 1.00 0.00 N ATOM 221 CA ASN A 18 6.185 -4.861 -0.879 1.00 0.00 C ATOM 222 C ASN A 18 6.259 -3.540 -1.648 1.00 0.00 C ATOM 223 O ASN A 18 5.761 -3.440 -2.768 1.00 0.00 O ATOM 224 CB ASN A 18 6.337 -6.003 -1.886 1.00 0.00 C ATOM 225 CG ASN A 18 5.982 -7.347 -1.248 1.00 0.00 C ATOM 226 OD1 ASN A 18 6.766 -7.952 -0.535 1.00 0.00 O ATOM 227 ND2 ASN A 18 4.759 -7.780 -1.544 1.00 0.00 N ATOM 0 H ASN A 18 4.189 -5.467 -0.678 1.00 0.00 H new ATOM 0 HA ASN A 18 6.979 -4.928 -0.135 1.00 0.00 H new ATOM 0 HB2 ASN A 18 5.692 -5.823 -2.746 1.00 0.00 H new ATOM 0 HB3 ASN A 18 7.362 -6.032 -2.257 1.00 0.00 H new ATOM 0 HD21 ASN A 18 4.427 -8.668 -1.167 1.00 0.00 H new ATOM 0 HD22 ASN A 18 4.153 -7.224 -2.147 1.00 0.00 H new ATOM 234 N VAL A 19 6.885 -2.558 -1.015 1.00 0.00 N ATOM 235 CA VAL A 19 7.030 -1.248 -1.625 1.00 0.00 C ATOM 236 C VAL A 19 8.366 -1.181 -2.368 1.00 0.00 C ATOM 237 O VAL A 19 9.412 -1.497 -1.803 1.00 0.00 O ATOM 238 CB VAL A 19 6.882 -0.156 -0.563 1.00 0.00 C ATOM 239 CG1 VAL A 19 7.137 1.229 -1.161 1.00 0.00 C ATOM 240 CG2 VAL A 19 5.506 -0.222 0.102 1.00 0.00 C ATOM 0 H VAL A 19 7.297 -2.644 -0.086 1.00 0.00 H new ATOM 0 HA VAL A 19 6.241 -1.079 -2.358 1.00 0.00 H new ATOM 0 HB VAL A 19 7.634 -0.332 0.206 1.00 0.00 H new ATOM 0 HG11 VAL A 19 7.025 1.986 -0.385 1.00 0.00 H new ATOM 0 HG12 VAL A 19 8.148 1.270 -1.565 1.00 0.00 H new ATOM 0 HG13 VAL A 19 6.419 1.419 -1.959 1.00 0.00 H new ATOM 0 HG21 VAL A 19 5.427 0.564 0.853 1.00 0.00 H new ATOM 0 HG22 VAL A 19 4.731 -0.084 -0.652 1.00 0.00 H new ATOM 0 HG23 VAL A 19 5.379 -1.194 0.580 1.00 0.00 H new ATOM 250 N THR A 20 8.288 -0.768 -3.625 1.00 0.00 N ATOM 251 CA THR A 20 9.478 -0.656 -4.451 1.00 0.00 C ATOM 252 C THR A 20 9.660 0.785 -4.931 1.00 0.00 C ATOM 253 O THR A 20 9.033 1.204 -5.903 1.00 0.00 O ATOM 254 CB THR A 20 9.356 -1.666 -5.594 1.00 0.00 C ATOM 255 OG1 THR A 20 9.586 -2.926 -4.970 1.00 0.00 O ATOM 256 CG2 THR A 20 10.493 -1.541 -6.610 1.00 0.00 C ATOM 0 H THR A 20 7.419 -0.507 -4.091 1.00 0.00 H new ATOM 0 HA THR A 20 10.378 -0.892 -3.883 1.00 0.00 H new ATOM 0 HB THR A 20 8.400 -1.528 -6.100 1.00 0.00 H new ATOM 0 HG1 THR A 20 9.524 -3.639 -5.640 1.00 0.00 H new ATOM 0 HG21 THR A 20 10.358 -2.280 -7.400 1.00 0.00 H new ATOM 0 HG22 THR A 20 10.485 -0.541 -7.044 1.00 0.00 H new ATOM 0 HG23 THR A 20 11.447 -1.713 -6.111 1.00 0.00 H new ATOM 264 N PHE A 21 10.522 1.504 -4.227 1.00 0.00 N ATOM 265 CA PHE A 21 10.795 2.890 -4.569 1.00 0.00 C ATOM 266 C PHE A 21 11.974 2.993 -5.539 1.00 0.00 C ATOM 267 O PHE A 21 13.131 2.950 -5.122 1.00 0.00 O ATOM 268 CB PHE A 21 11.157 3.608 -3.267 1.00 0.00 C ATOM 269 CG PHE A 21 11.421 5.106 -3.436 1.00 0.00 C ATOM 270 CD1 PHE A 21 10.824 5.792 -4.447 1.00 0.00 C ATOM 271 CD2 PHE A 21 12.253 5.751 -2.575 1.00 0.00 C ATOM 272 CE1 PHE A 21 11.069 7.182 -4.604 1.00 0.00 C ATOM 273 CE2 PHE A 21 12.499 7.141 -2.732 1.00 0.00 C ATOM 274 CZ PHE A 21 11.902 7.827 -3.743 1.00 0.00 C ATOM 0 H PHE A 21 11.040 1.153 -3.422 1.00 0.00 H new ATOM 0 HA PHE A 21 9.923 3.334 -5.050 1.00 0.00 H new ATOM 0 HB2 PHE A 21 10.347 3.471 -2.551 1.00 0.00 H new ATOM 0 HB3 PHE A 21 12.043 3.139 -2.840 1.00 0.00 H new ATOM 0 HD1 PHE A 21 10.163 5.280 -5.131 1.00 0.00 H new ATOM 0 HD2 PHE A 21 12.727 5.206 -1.772 1.00 0.00 H new ATOM 0 HE1 PHE A 21 10.594 7.727 -5.407 1.00 0.00 H new ATOM 0 HE2 PHE A 21 13.160 7.653 -2.049 1.00 0.00 H new ATOM 0 HZ PHE A 21 12.089 8.884 -3.863 1.00 0.00 H new ATOM 284 N LYS A 22 11.640 3.128 -6.814 1.00 0.00 N ATOM 285 CA LYS A 22 12.657 3.238 -7.846 1.00 0.00 C ATOM 286 C LYS A 22 13.440 1.926 -7.926 1.00 0.00 C ATOM 287 O LYS A 22 13.067 1.020 -8.670 1.00 0.00 O ATOM 288 CB LYS A 22 13.536 4.466 -7.603 1.00 0.00 C ATOM 289 CG LYS A 22 12.810 5.750 -8.008 1.00 0.00 C ATOM 290 CD LYS A 22 13.722 6.968 -7.851 1.00 0.00 C ATOM 291 CE LYS A 22 13.398 7.733 -6.567 1.00 0.00 C ATOM 292 NZ LYS A 22 14.511 8.641 -6.210 1.00 0.00 N ATOM 0 H LYS A 22 10.680 3.164 -7.156 1.00 0.00 H new ATOM 0 HA LYS A 22 12.196 3.394 -8.821 1.00 0.00 H new ATOM 0 HB2 LYS A 22 13.812 4.517 -6.550 1.00 0.00 H new ATOM 0 HB3 LYS A 22 14.462 4.373 -8.171 1.00 0.00 H new ATOM 0 HG2 LYS A 22 12.476 5.672 -9.043 1.00 0.00 H new ATOM 0 HG3 LYS A 22 11.918 5.877 -7.394 1.00 0.00 H new ATOM 0 HD2 LYS A 22 14.764 6.647 -7.834 1.00 0.00 H new ATOM 0 HD3 LYS A 22 13.605 7.628 -8.711 1.00 0.00 H new ATOM 0 HE2 LYS A 22 12.481 8.307 -6.700 1.00 0.00 H new ATOM 0 HE3 LYS A 22 13.219 7.030 -5.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 14.275 9.153 -5.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 15.378 8.086 -6.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 14.663 9.323 -6.980 1.00 0.00 H new ATOM 306 N ASN A 23 14.512 1.865 -7.150 1.00 0.00 N ATOM 307 CA ASN A 23 15.351 0.679 -7.123 1.00 0.00 C ATOM 308 C ASN A 23 15.407 0.131 -5.696 1.00 0.00 C ATOM 309 O ASN A 23 16.046 -0.889 -5.444 1.00 0.00 O ATOM 310 CB ASN A 23 16.780 1.006 -7.560 1.00 0.00 C ATOM 311 CG ASN A 23 17.715 -0.178 -7.307 1.00 0.00 C ATOM 312 OD1 ASN A 23 17.798 -1.114 -8.086 1.00 0.00 O ATOM 313 ND2 ASN A 23 18.412 -0.085 -6.179 1.00 0.00 N ATOM 0 H ASN A 23 14.819 2.618 -6.535 1.00 0.00 H new ATOM 0 HA ASN A 23 14.922 -0.053 -7.808 1.00 0.00 H new ATOM 0 HB2 ASN A 23 16.790 1.262 -8.619 1.00 0.00 H new ATOM 0 HB3 ASN A 23 17.139 1.880 -7.017 1.00 0.00 H new ATOM 0 HD21 ASN A 23 19.065 -0.825 -5.920 1.00 0.00 H new ATOM 0 HD22 ASN A 23 18.294 0.726 -5.572 1.00 0.00 H new ATOM 320 N GLU A 24 14.728 0.832 -4.800 1.00 0.00 N ATOM 321 CA GLU A 24 14.693 0.428 -3.404 1.00 0.00 C ATOM 322 C GLU A 24 13.449 -0.420 -3.129 1.00 0.00 C ATOM 323 O GLU A 24 12.343 -0.052 -3.521 1.00 0.00 O ATOM 324 CB GLU A 24 14.741 1.646 -2.480 1.00 0.00 C ATOM 325 CG GLU A 24 16.162 2.205 -2.383 1.00 0.00 C ATOM 326 CD GLU A 24 16.225 3.378 -1.403 1.00 0.00 C ATOM 327 OE1 GLU A 24 15.718 4.458 -1.778 1.00 0.00 O ATOM 328 OE2 GLU A 24 16.778 3.169 -0.302 1.00 0.00 O ATOM 0 H GLU A 24 14.198 1.677 -5.013 1.00 0.00 H new ATOM 0 HA GLU A 24 15.575 -0.178 -3.198 1.00 0.00 H new ATOM 0 HB2 GLU A 24 14.068 2.417 -2.854 1.00 0.00 H new ATOM 0 HB3 GLU A 24 14.387 1.368 -1.487 1.00 0.00 H new ATOM 0 HG2 GLU A 24 16.844 1.419 -2.059 1.00 0.00 H new ATOM 0 HG3 GLU A 24 16.496 2.531 -3.368 1.00 0.00 H new ATOM 335 N ILE A 25 13.673 -1.539 -2.457 1.00 0.00 N ATOM 336 CA ILE A 25 12.585 -2.443 -2.125 1.00 0.00 C ATOM 337 C ILE A 25 12.430 -2.511 -0.604 1.00 0.00 C ATOM 338 O ILE A 25 13.416 -2.653 0.118 1.00 0.00 O ATOM 339 CB ILE A 25 12.801 -3.807 -2.782 1.00 0.00 C ATOM 340 CG1 ILE A 25 12.779 -3.690 -4.308 1.00 0.00 C ATOM 341 CG2 ILE A 25 11.784 -4.830 -2.271 1.00 0.00 C ATOM 342 CD1 ILE A 25 13.930 -4.480 -4.934 1.00 0.00 C ATOM 0 H ILE A 25 14.592 -1.841 -2.133 1.00 0.00 H new ATOM 0 HA ILE A 25 11.643 -2.068 -2.526 1.00 0.00 H new ATOM 0 HB ILE A 25 13.790 -4.169 -2.500 1.00 0.00 H new ATOM 0 HG12 ILE A 25 11.828 -4.060 -4.691 1.00 0.00 H new ATOM 0 HG13 ILE A 25 12.853 -2.642 -4.597 1.00 0.00 H new ATOM 0 HG21 ILE A 25 11.960 -5.791 -2.754 1.00 0.00 H new ATOM 0 HG22 ILE A 25 11.891 -4.942 -1.192 1.00 0.00 H new ATOM 0 HG23 ILE A 25 10.775 -4.487 -2.502 1.00 0.00 H new ATOM 0 HD11 ILE A 25 13.892 -4.381 -6.019 1.00 0.00 H new ATOM 0 HD12 ILE A 25 14.880 -4.091 -4.567 1.00 0.00 H new ATOM 0 HD13 ILE A 25 13.839 -5.532 -4.663 1.00 0.00 H new ATOM 354 N GLN A 26 11.185 -2.406 -0.162 1.00 0.00 N ATOM 355 CA GLN A 26 10.889 -2.454 1.259 1.00 0.00 C ATOM 356 C GLN A 26 9.636 -3.294 1.513 1.00 0.00 C ATOM 357 O GLN A 26 8.907 -3.625 0.579 1.00 0.00 O ATOM 358 CB GLN A 26 10.730 -1.045 1.834 1.00 0.00 C ATOM 359 CG GLN A 26 12.074 -0.491 2.310 1.00 0.00 C ATOM 360 CD GLN A 26 11.942 0.969 2.750 1.00 0.00 C ATOM 361 OE1 GLN A 26 12.615 1.857 2.254 1.00 0.00 O ATOM 362 NE2 GLN A 26 11.039 1.165 3.706 1.00 0.00 N ATOM 0 H GLN A 26 10.370 -2.288 -0.764 1.00 0.00 H new ATOM 0 HA GLN A 26 11.729 -2.927 1.769 1.00 0.00 H new ATOM 0 HB2 GLN A 26 10.309 -0.385 1.076 1.00 0.00 H new ATOM 0 HB3 GLN A 26 10.026 -1.065 2.666 1.00 0.00 H new ATOM 0 HG2 GLN A 26 12.446 -1.092 3.140 1.00 0.00 H new ATOM 0 HG3 GLN A 26 12.808 -0.568 1.507 1.00 0.00 H new ATOM 0 HE21 GLN A 26 10.510 0.376 4.077 1.00 0.00 H new ATOM 0 HE22 GLN A 26 10.876 2.104 4.068 1.00 0.00 H new ATOM 371 N SER A 27 9.424 -3.615 2.780 1.00 0.00 N ATOM 372 CA SER A 27 8.272 -4.411 3.168 1.00 0.00 C ATOM 373 C SER A 27 7.688 -3.882 4.480 1.00 0.00 C ATOM 374 O SER A 27 8.429 -3.526 5.394 1.00 0.00 O ATOM 375 CB SER A 27 8.645 -5.888 3.311 1.00 0.00 C ATOM 376 OG SER A 27 7.899 -6.529 4.342 1.00 0.00 O ATOM 0 H SER A 27 10.031 -3.338 3.552 1.00 0.00 H new ATOM 0 HA SER A 27 7.520 -4.329 2.383 1.00 0.00 H new ATOM 0 HB2 SER A 27 8.469 -6.400 2.365 1.00 0.00 H new ATOM 0 HB3 SER A 27 9.710 -5.974 3.527 1.00 0.00 H new ATOM 0 HG SER A 27 8.165 -7.470 4.401 1.00 0.00 H new ATOM 382 N PHE A 28 6.364 -3.846 4.529 1.00 0.00 N ATOM 383 CA PHE A 28 5.672 -3.367 5.714 1.00 0.00 C ATOM 384 C PHE A 28 4.535 -4.312 6.105 1.00 0.00 C ATOM 385 O PHE A 28 3.552 -4.442 5.377 1.00 0.00 O ATOM 386 CB PHE A 28 5.085 -1.998 5.364 1.00 0.00 C ATOM 387 CG PHE A 28 6.108 -1.003 4.813 1.00 0.00 C ATOM 388 CD1 PHE A 28 6.696 -1.230 3.608 1.00 0.00 C ATOM 389 CD2 PHE A 28 6.430 0.108 5.528 1.00 0.00 C ATOM 390 CE1 PHE A 28 7.647 -0.307 3.096 1.00 0.00 C ATOM 391 CE2 PHE A 28 7.380 1.031 5.017 1.00 0.00 C ATOM 392 CZ PHE A 28 7.969 0.804 3.812 1.00 0.00 C ATOM 0 H PHE A 28 5.753 -4.141 3.768 1.00 0.00 H new ATOM 0 HA PHE A 28 6.365 -3.311 6.553 1.00 0.00 H new ATOM 0 HB2 PHE A 28 4.292 -2.132 4.629 1.00 0.00 H new ATOM 0 HB3 PHE A 28 4.625 -1.573 6.256 1.00 0.00 H new ATOM 0 HD1 PHE A 28 6.440 -2.112 3.040 1.00 0.00 H new ATOM 0 HD2 PHE A 28 5.963 0.288 6.485 1.00 0.00 H new ATOM 0 HE1 PHE A 28 8.114 -0.487 2.139 1.00 0.00 H new ATOM 0 HE2 PHE A 28 7.635 1.913 5.585 1.00 0.00 H new ATOM 0 HZ PHE A 28 8.692 1.506 3.424 1.00 0.00 H new ATOM 402 N LEU A 29 4.706 -4.948 7.254 1.00 0.00 N ATOM 403 CA LEU A 29 3.706 -5.878 7.751 1.00 0.00 C ATOM 404 C LEU A 29 2.583 -5.095 8.433 1.00 0.00 C ATOM 405 O LEU A 29 2.843 -4.190 9.224 1.00 0.00 O ATOM 406 CB LEU A 29 4.355 -6.932 8.651 1.00 0.00 C ATOM 407 CG LEU A 29 3.539 -8.205 8.888 1.00 0.00 C ATOM 408 CD1 LEU A 29 3.598 -9.130 7.671 1.00 0.00 C ATOM 409 CD2 LEU A 29 3.988 -8.913 10.168 1.00 0.00 C ATOM 0 H LEU A 29 5.522 -4.838 7.856 1.00 0.00 H new ATOM 0 HA LEU A 29 3.255 -6.430 6.926 1.00 0.00 H new ATOM 0 HB2 LEU A 29 5.313 -7.214 8.214 1.00 0.00 H new ATOM 0 HB3 LEU A 29 4.568 -6.475 9.617 1.00 0.00 H new ATOM 0 HG LEU A 29 2.496 -7.921 9.025 1.00 0.00 H new ATOM 0 HD11 LEU A 29 3.010 -10.027 7.867 1.00 0.00 H new ATOM 0 HD12 LEU A 29 3.193 -8.613 6.801 1.00 0.00 H new ATOM 0 HD13 LEU A 29 4.633 -9.410 7.477 1.00 0.00 H new ATOM 0 HD21 LEU A 29 3.393 -9.814 10.313 1.00 0.00 H new ATOM 0 HD22 LEU A 29 5.041 -9.183 10.084 1.00 0.00 H new ATOM 0 HD23 LEU A 29 3.851 -8.247 11.020 1.00 0.00 H new ATOM 421 N VAL A 30 1.356 -5.473 8.102 1.00 0.00 N ATOM 422 CA VAL A 30 0.192 -4.817 8.672 1.00 0.00 C ATOM 423 C VAL A 30 -0.727 -5.870 9.294 1.00 0.00 C ATOM 424 O VAL A 30 -1.501 -6.518 8.590 1.00 0.00 O ATOM 425 CB VAL A 30 -0.505 -3.969 7.607 1.00 0.00 C ATOM 426 CG1 VAL A 30 -1.429 -2.932 8.250 1.00 0.00 C ATOM 427 CG2 VAL A 30 0.515 -3.297 6.686 1.00 0.00 C ATOM 0 H VAL A 30 1.144 -6.225 7.446 1.00 0.00 H new ATOM 0 HA VAL A 30 0.490 -4.134 9.468 1.00 0.00 H new ATOM 0 HB VAL A 30 -1.118 -4.634 6.999 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -1.912 -2.342 7.471 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -2.189 -3.440 8.844 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -0.845 -2.274 8.894 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -0.008 -2.700 5.938 1.00 0.00 H new ATOM 0 HG22 VAL A 30 1.167 -2.651 7.275 1.00 0.00 H new ATOM 0 HG23 VAL A 30 1.114 -4.060 6.188 1.00 0.00 H new ATOM 437 N SER A 31 -0.612 -6.009 10.607 1.00 0.00 N ATOM 438 CA SER A 31 -1.424 -6.973 11.331 1.00 0.00 C ATOM 439 C SER A 31 -2.868 -6.478 11.422 1.00 0.00 C ATOM 440 O SER A 31 -3.751 -7.207 11.870 1.00 0.00 O ATOM 441 CB SER A 31 -0.860 -7.226 12.731 1.00 0.00 C ATOM 442 OG SER A 31 -1.637 -8.175 13.456 1.00 0.00 O ATOM 0 H SER A 31 0.031 -5.471 11.188 1.00 0.00 H new ATOM 0 HA SER A 31 -1.404 -7.916 10.784 1.00 0.00 H new ATOM 0 HB2 SER A 31 0.166 -7.584 12.649 1.00 0.00 H new ATOM 0 HB3 SER A 31 -0.827 -6.287 13.284 1.00 0.00 H new ATOM 0 HG SER A 31 -1.842 -8.940 12.878 1.00 0.00 H new ATOM 448 N ASP A 32 -3.064 -5.241 10.990 1.00 0.00 N ATOM 449 CA ASP A 32 -4.387 -4.639 11.017 1.00 0.00 C ATOM 450 C ASP A 32 -4.571 -3.767 9.774 1.00 0.00 C ATOM 451 O ASP A 32 -4.657 -2.544 9.876 1.00 0.00 O ATOM 452 CB ASP A 32 -4.562 -3.749 12.249 1.00 0.00 C ATOM 453 CG ASP A 32 -3.586 -2.575 12.343 1.00 0.00 C ATOM 454 OD1 ASP A 32 -2.373 -2.830 12.179 1.00 0.00 O ATOM 455 OD2 ASP A 32 -4.074 -1.448 12.576 1.00 0.00 O ATOM 0 H ASP A 32 -2.329 -4.639 10.619 1.00 0.00 H new ATOM 0 HA ASP A 32 -5.123 -5.443 11.045 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -5.579 -3.357 12.254 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -4.453 -4.365 13.142 1.00 0.00 H new ATOM 460 N PRO A 33 -4.628 -4.447 8.598 1.00 0.00 N ATOM 461 CA PRO A 33 -4.801 -3.748 7.336 1.00 0.00 C ATOM 462 C PRO A 33 -6.244 -3.267 7.168 1.00 0.00 C ATOM 463 O PRO A 33 -6.541 -2.483 6.268 1.00 0.00 O ATOM 464 CB PRO A 33 -4.380 -4.747 6.271 1.00 0.00 C ATOM 465 CG PRO A 33 -4.431 -6.112 6.937 1.00 0.00 C ATOM 466 CD PRO A 33 -4.531 -5.895 8.438 1.00 0.00 C ATOM 0 HA PRO A 33 -4.199 -2.841 7.272 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -5.049 -4.707 5.411 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -3.377 -4.528 5.905 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -5.288 -6.681 6.576 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -3.539 -6.689 6.693 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -5.404 -6.399 8.854 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -3.658 -6.293 8.955 1.00 0.00 H new ATOM 474 N GLU A 34 -7.103 -3.758 8.049 1.00 0.00 N ATOM 475 CA GLU A 34 -8.508 -3.389 8.010 1.00 0.00 C ATOM 476 C GLU A 34 -8.803 -2.310 9.054 1.00 0.00 C ATOM 477 O GLU A 34 -9.708 -1.498 8.874 1.00 0.00 O ATOM 478 CB GLU A 34 -9.403 -4.613 8.218 1.00 0.00 C ATOM 479 CG GLU A 34 -9.341 -5.549 7.010 1.00 0.00 C ATOM 480 CD GLU A 34 -10.563 -5.362 6.108 1.00 0.00 C ATOM 481 OE1 GLU A 34 -11.686 -5.460 6.648 1.00 0.00 O ATOM 482 OE2 GLU A 34 -10.346 -5.126 4.900 1.00 0.00 O ATOM 0 H GLU A 34 -6.853 -4.408 8.794 1.00 0.00 H new ATOM 0 HA GLU A 34 -8.729 -2.982 7.023 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -9.090 -5.149 9.114 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -10.432 -4.292 8.382 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -8.432 -5.355 6.441 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -9.290 -6.584 7.349 1.00 0.00 H new ATOM 489 N ASN A 35 -8.021 -2.338 10.124 1.00 0.00 N ATOM 490 CA ASN A 35 -8.187 -1.372 11.197 1.00 0.00 C ATOM 491 C ASN A 35 -7.432 -0.089 10.844 1.00 0.00 C ATOM 492 O ASN A 35 -7.990 1.004 10.920 1.00 0.00 O ATOM 493 CB ASN A 35 -7.619 -1.908 12.512 1.00 0.00 C ATOM 494 CG ASN A 35 -8.520 -1.535 13.691 1.00 0.00 C ATOM 495 OD1 ASN A 35 -8.377 -0.493 14.309 1.00 0.00 O ATOM 496 ND2 ASN A 35 -9.453 -2.442 13.967 1.00 0.00 N ATOM 0 H ASN A 35 -7.271 -3.014 10.271 1.00 0.00 H new ATOM 0 HA ASN A 35 -9.253 -1.180 11.316 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -7.520 -2.992 12.454 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -6.619 -1.504 12.672 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -10.104 -2.286 14.736 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -9.517 -3.293 13.409 1.00 0.00 H new ATOM 503 N THR A 36 -6.175 -0.265 10.464 1.00 0.00 N ATOM 504 CA THR A 36 -5.338 0.865 10.099 1.00 0.00 C ATOM 505 C THR A 36 -5.940 1.611 8.906 1.00 0.00 C ATOM 506 O THR A 36 -6.826 1.093 8.229 1.00 0.00 O ATOM 507 CB THR A 36 -3.925 0.342 9.837 1.00 0.00 C ATOM 508 OG1 THR A 36 -3.092 1.484 10.018 1.00 0.00 O ATOM 509 CG2 THR A 36 -3.707 -0.051 8.374 1.00 0.00 C ATOM 0 H THR A 36 -5.716 -1.174 10.401 1.00 0.00 H new ATOM 0 HA THR A 36 -5.285 1.595 10.907 1.00 0.00 H new ATOM 0 HB THR A 36 -3.734 -0.520 10.476 1.00 0.00 H new ATOM 0 HG1 THR A 36 -2.156 1.233 9.868 1.00 0.00 H new ATOM 0 HG21 THR A 36 -2.688 -0.415 8.243 1.00 0.00 H new ATOM 0 HG22 THR A 36 -4.411 -0.836 8.099 1.00 0.00 H new ATOM 0 HG23 THR A 36 -3.866 0.818 7.736 1.00 0.00 H new ATOM 517 N THR A 37 -5.435 2.816 8.687 1.00 0.00 N ATOM 518 CA THR A 37 -5.911 3.638 7.588 1.00 0.00 C ATOM 519 C THR A 37 -4.826 3.782 6.519 1.00 0.00 C ATOM 520 O THR A 37 -3.637 3.683 6.820 1.00 0.00 O ATOM 521 CB THR A 37 -6.376 4.976 8.166 1.00 0.00 C ATOM 522 OG1 THR A 37 -5.211 5.508 8.792 1.00 0.00 O ATOM 523 CG2 THR A 37 -7.371 4.804 9.316 1.00 0.00 C ATOM 0 H THR A 37 -4.701 3.243 9.252 1.00 0.00 H new ATOM 0 HA THR A 37 -6.758 3.172 7.084 1.00 0.00 H new ATOM 0 HB THR A 37 -6.834 5.572 7.377 1.00 0.00 H new ATOM 0 HG1 THR A 37 -5.423 6.377 9.192 1.00 0.00 H new ATOM 0 HG21 THR A 37 -7.668 5.784 9.689 1.00 0.00 H new ATOM 0 HG22 THR A 37 -8.251 4.269 8.959 1.00 0.00 H new ATOM 0 HG23 THR A 37 -6.903 4.236 10.120 1.00 0.00 H new ATOM 531 N TRP A 38 -5.273 4.015 5.294 1.00 0.00 N ATOM 532 CA TRP A 38 -4.355 4.174 4.180 1.00 0.00 C ATOM 533 C TRP A 38 -3.426 5.348 4.496 1.00 0.00 C ATOM 534 O TRP A 38 -2.232 5.296 4.205 1.00 0.00 O ATOM 535 CB TRP A 38 -5.115 4.350 2.864 1.00 0.00 C ATOM 536 CG TRP A 38 -4.258 4.891 1.718 1.00 0.00 C ATOM 537 CD1 TRP A 38 -4.410 6.040 1.045 1.00 0.00 C ATOM 538 CD2 TRP A 38 -3.102 4.255 1.134 1.00 0.00 C ATOM 539 NE1 TRP A 38 -3.441 6.190 0.074 1.00 0.00 N ATOM 540 CE2 TRP A 38 -2.620 5.070 0.130 1.00 0.00 C ATOM 541 CE3 TRP A 38 -2.483 3.031 1.444 1.00 0.00 C ATOM 542 CZ2 TRP A 38 -1.499 4.750 -0.645 1.00 0.00 C ATOM 543 CZ3 TRP A 38 -1.364 2.726 0.660 1.00 0.00 C ATOM 544 CH2 TRP A 38 -0.867 3.536 -0.354 1.00 0.00 C ATOM 0 H TRP A 38 -6.260 4.097 5.049 1.00 0.00 H new ATOM 0 HA TRP A 38 -3.750 3.277 4.048 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -5.535 3.389 2.568 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -5.953 5.027 3.028 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -5.193 6.758 1.238 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -3.345 6.978 -0.567 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -2.843 2.378 2.225 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -1.141 5.405 -1.426 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -0.851 1.796 0.857 1.00 0.00 H new ATOM 0 HH2 TRP A 38 0.003 3.230 -0.915 1.00 0.00 H new ATOM 555 N ALA A 39 -4.010 6.380 5.087 1.00 0.00 N ATOM 556 CA ALA A 39 -3.250 7.565 5.446 1.00 0.00 C ATOM 557 C ALA A 39 -2.043 7.155 6.292 1.00 0.00 C ATOM 558 O ALA A 39 -0.958 7.715 6.145 1.00 0.00 O ATOM 559 CB ALA A 39 -4.162 8.556 6.172 1.00 0.00 C ATOM 0 H ALA A 39 -5.001 6.420 5.326 1.00 0.00 H new ATOM 0 HA ALA A 39 -2.872 8.064 4.553 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -3.592 9.445 6.441 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -4.987 8.838 5.518 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -4.558 8.092 7.075 1.00 0.00 H new ATOM 565 N ASP A 40 -2.274 6.181 7.161 1.00 0.00 N ATOM 566 CA ASP A 40 -1.219 5.689 8.031 1.00 0.00 C ATOM 567 C ASP A 40 -0.150 4.993 7.186 1.00 0.00 C ATOM 568 O ASP A 40 1.042 5.109 7.468 1.00 0.00 O ATOM 569 CB ASP A 40 -1.763 4.673 9.036 1.00 0.00 C ATOM 570 CG ASP A 40 -1.855 5.175 10.478 1.00 0.00 C ATOM 571 OD1 ASP A 40 -1.304 6.267 10.735 1.00 0.00 O ATOM 572 OD2 ASP A 40 -2.473 4.455 11.292 1.00 0.00 O ATOM 0 H ASP A 40 -3.176 5.720 7.281 1.00 0.00 H new ATOM 0 HA ASP A 40 -0.801 6.540 8.569 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -2.756 4.360 8.712 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -1.127 3.788 9.015 1.00 0.00 H new ATOM 577 N ILE A 41 -0.614 4.285 6.167 1.00 0.00 N ATOM 578 CA ILE A 41 0.287 3.571 5.280 1.00 0.00 C ATOM 579 C ILE A 41 1.125 4.579 4.491 1.00 0.00 C ATOM 580 O ILE A 41 2.347 4.455 4.420 1.00 0.00 O ATOM 581 CB ILE A 41 -0.493 2.595 4.396 1.00 0.00 C ATOM 582 CG1 ILE A 41 -1.399 1.696 5.239 1.00 0.00 C ATOM 583 CG2 ILE A 41 0.453 1.784 3.508 1.00 0.00 C ATOM 584 CD1 ILE A 41 -0.576 0.696 6.054 1.00 0.00 C ATOM 0 H ILE A 41 -1.603 4.191 5.936 1.00 0.00 H new ATOM 0 HA ILE A 41 0.982 2.959 5.855 1.00 0.00 H new ATOM 0 HB ILE A 41 -1.138 3.174 3.735 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -2.002 2.308 5.910 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -2.090 1.159 4.589 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -0.127 1.098 2.890 1.00 0.00 H new ATOM 0 HG22 ILE A 41 1.019 2.460 2.867 1.00 0.00 H new ATOM 0 HG23 ILE A 41 1.141 1.215 4.133 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -1.245 0.070 6.644 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.007 0.069 5.379 1.00 0.00 H new ATOM 0 HD13 ILE A 41 0.097 1.236 6.720 1.00 0.00 H new ATOM 596 N GLU A 42 0.435 5.554 3.918 1.00 0.00 N ATOM 597 CA GLU A 42 1.101 6.583 3.138 1.00 0.00 C ATOM 598 C GLU A 42 2.131 7.319 3.998 1.00 0.00 C ATOM 599 O GLU A 42 3.301 7.410 3.629 1.00 0.00 O ATOM 600 CB GLU A 42 0.087 7.561 2.541 1.00 0.00 C ATOM 601 CG GLU A 42 0.784 8.617 1.681 1.00 0.00 C ATOM 602 CD GLU A 42 0.504 10.026 2.209 1.00 0.00 C ATOM 603 OE1 GLU A 42 0.510 10.179 3.450 1.00 0.00 O ATOM 604 OE2 GLU A 42 0.290 10.918 1.360 1.00 0.00 O ATOM 0 H GLU A 42 -0.578 5.653 3.978 1.00 0.00 H new ATOM 0 HA GLU A 42 1.624 6.102 2.311 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -0.638 7.015 1.937 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -0.469 8.048 3.342 1.00 0.00 H new ATOM 0 HG2 GLU A 42 1.859 8.434 1.674 1.00 0.00 H new ATOM 0 HG3 GLU A 42 0.440 8.536 0.650 1.00 0.00 H new ATOM 611 N ALA A 43 1.659 7.824 5.128 1.00 0.00 N ATOM 612 CA ALA A 43 2.524 8.549 6.043 1.00 0.00 C ATOM 613 C ALA A 43 3.574 7.591 6.611 1.00 0.00 C ATOM 614 O ALA A 43 4.630 8.024 7.069 1.00 0.00 O ATOM 615 CB ALA A 43 1.678 9.202 7.137 1.00 0.00 C ATOM 0 H ALA A 43 0.688 7.745 5.431 1.00 0.00 H new ATOM 0 HA ALA A 43 3.053 9.347 5.521 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.327 9.746 7.823 1.00 0.00 H new ATOM 0 HB2 ALA A 43 0.968 9.894 6.684 1.00 0.00 H new ATOM 0 HB3 ALA A 43 1.135 8.432 7.685 1.00 0.00 H new ATOM 621 N MET A 44 3.246 6.308 6.563 1.00 0.00 N ATOM 622 CA MET A 44 4.147 5.286 7.067 1.00 0.00 C ATOM 623 C MET A 44 5.293 5.033 6.085 1.00 0.00 C ATOM 624 O MET A 44 6.462 5.176 6.440 1.00 0.00 O ATOM 625 CB MET A 44 3.371 3.987 7.293 1.00 0.00 C ATOM 626 CG MET A 44 4.318 2.788 7.363 1.00 0.00 C ATOM 627 SD MET A 44 3.485 1.394 8.105 1.00 0.00 S ATOM 628 CE MET A 44 2.794 0.634 6.645 1.00 0.00 C ATOM 0 H MET A 44 2.369 5.953 6.183 1.00 0.00 H new ATOM 0 HA MET A 44 4.571 5.634 8.009 1.00 0.00 H new ATOM 0 HB2 MET A 44 2.799 4.057 8.218 1.00 0.00 H new ATOM 0 HB3 MET A 44 2.654 3.842 6.485 1.00 0.00 H new ATOM 0 HG2 MET A 44 4.661 2.526 6.362 1.00 0.00 H new ATOM 0 HG3 MET A 44 5.202 3.046 7.946 1.00 0.00 H new ATOM 0 HE1 MET A 44 2.178 -0.217 6.935 1.00 0.00 H new ATOM 0 HE2 MET A 44 2.181 1.361 6.112 1.00 0.00 H new ATOM 0 HE3 MET A 44 3.601 0.294 5.996 1.00 0.00 H new ATOM 638 N VAL A 45 4.918 4.661 4.870 1.00 0.00 N ATOM 639 CA VAL A 45 5.899 4.386 3.835 1.00 0.00 C ATOM 640 C VAL A 45 6.699 5.658 3.546 1.00 0.00 C ATOM 641 O VAL A 45 7.915 5.604 3.368 1.00 0.00 O ATOM 642 CB VAL A 45 5.206 3.821 2.594 1.00 0.00 C ATOM 643 CG1 VAL A 45 6.180 3.725 1.418 1.00 0.00 C ATOM 644 CG2 VAL A 45 4.571 2.461 2.892 1.00 0.00 C ATOM 0 H VAL A 45 3.947 4.544 4.579 1.00 0.00 H new ATOM 0 HA VAL A 45 6.605 3.627 4.170 1.00 0.00 H new ATOM 0 HB VAL A 45 4.409 4.509 2.313 1.00 0.00 H new ATOM 0 HG11 VAL A 45 5.662 3.320 0.549 1.00 0.00 H new ATOM 0 HG12 VAL A 45 6.564 4.717 1.182 1.00 0.00 H new ATOM 0 HG13 VAL A 45 7.009 3.069 1.684 1.00 0.00 H new ATOM 0 HG21 VAL A 45 4.085 2.082 1.993 1.00 0.00 H new ATOM 0 HG22 VAL A 45 5.343 1.761 3.210 1.00 0.00 H new ATOM 0 HG23 VAL A 45 3.832 2.571 3.685 1.00 0.00 H new ATOM 654 N LYS A 46 5.984 6.773 3.508 1.00 0.00 N ATOM 655 CA LYS A 46 6.612 8.056 3.243 1.00 0.00 C ATOM 656 C LYS A 46 7.785 8.253 4.206 1.00 0.00 C ATOM 657 O LYS A 46 8.943 8.216 3.794 1.00 0.00 O ATOM 658 CB LYS A 46 5.576 9.181 3.298 1.00 0.00 C ATOM 659 CG LYS A 46 4.689 9.171 2.051 1.00 0.00 C ATOM 660 CD LYS A 46 3.518 10.144 2.203 1.00 0.00 C ATOM 661 CE LYS A 46 3.999 11.504 2.714 1.00 0.00 C ATOM 662 NZ LYS A 46 3.738 11.634 4.165 1.00 0.00 N ATOM 0 H LYS A 46 4.976 6.814 3.656 1.00 0.00 H new ATOM 0 HA LYS A 46 7.021 8.079 2.233 1.00 0.00 H new ATOM 0 HB2 LYS A 46 4.958 9.068 4.189 1.00 0.00 H new ATOM 0 HB3 LYS A 46 6.082 10.143 3.381 1.00 0.00 H new ATOM 0 HG2 LYS A 46 5.281 9.443 1.177 1.00 0.00 H new ATOM 0 HG3 LYS A 46 4.310 8.164 1.878 1.00 0.00 H new ATOM 0 HD2 LYS A 46 3.017 10.269 1.243 1.00 0.00 H new ATOM 0 HD3 LYS A 46 2.784 9.730 2.895 1.00 0.00 H new ATOM 0 HE2 LYS A 46 5.066 11.616 2.519 1.00 0.00 H new ATOM 0 HE3 LYS A 46 3.490 12.303 2.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 3.762 12.638 4.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 2.802 11.239 4.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 4.467 11.116 4.697 1.00 0.00 H new ATOM 676 N VAL A 47 7.444 8.459 5.470 1.00 0.00 N ATOM 677 CA VAL A 47 8.454 8.662 6.494 1.00 0.00 C ATOM 678 C VAL A 47 9.472 7.521 6.433 1.00 0.00 C ATOM 679 O VAL A 47 10.678 7.761 6.422 1.00 0.00 O ATOM 680 CB VAL A 47 7.789 8.797 7.865 1.00 0.00 C ATOM 681 CG1 VAL A 47 6.721 9.893 7.851 1.00 0.00 C ATOM 682 CG2 VAL A 47 7.198 7.461 8.322 1.00 0.00 C ATOM 0 H VAL A 47 6.482 8.490 5.808 1.00 0.00 H new ATOM 0 HA VAL A 47 8.996 9.591 6.318 1.00 0.00 H new ATOM 0 HB VAL A 47 8.557 9.087 8.583 1.00 0.00 H new ATOM 0 HG11 VAL A 47 6.264 9.968 8.838 1.00 0.00 H new ATOM 0 HG12 VAL A 47 7.181 10.846 7.591 1.00 0.00 H new ATOM 0 HG13 VAL A 47 5.956 9.646 7.115 1.00 0.00 H new ATOM 0 HG21 VAL A 47 6.731 7.585 9.299 1.00 0.00 H new ATOM 0 HG22 VAL A 47 6.450 7.129 7.602 1.00 0.00 H new ATOM 0 HG23 VAL A 47 7.991 6.717 8.390 1.00 0.00 H new ATOM 692 N SER A 48 8.949 6.305 6.395 1.00 0.00 N ATOM 693 CA SER A 48 9.797 5.127 6.335 1.00 0.00 C ATOM 694 C SER A 48 10.925 5.344 5.324 1.00 0.00 C ATOM 695 O SER A 48 12.066 4.955 5.569 1.00 0.00 O ATOM 696 CB SER A 48 8.986 3.882 5.966 1.00 0.00 C ATOM 697 OG SER A 48 8.576 3.151 7.118 1.00 0.00 O ATOM 0 H SER A 48 7.948 6.110 6.405 1.00 0.00 H new ATOM 0 HA SER A 48 10.229 4.967 7.323 1.00 0.00 H new ATOM 0 HB2 SER A 48 8.107 4.178 5.393 1.00 0.00 H new ATOM 0 HB3 SER A 48 9.584 3.238 5.322 1.00 0.00 H new ATOM 0 HG SER A 48 7.696 3.469 7.411 1.00 0.00 H new ATOM 703 N PHE A 49 10.566 5.966 4.210 1.00 0.00 N ATOM 704 CA PHE A 49 11.534 6.240 3.162 1.00 0.00 C ATOM 705 C PHE A 49 12.062 7.673 3.264 1.00 0.00 C ATOM 706 O PHE A 49 13.092 8.002 2.677 1.00 0.00 O ATOM 707 CB PHE A 49 10.806 6.072 1.827 1.00 0.00 C ATOM 708 CG PHE A 49 10.860 4.651 1.264 1.00 0.00 C ATOM 709 CD1 PHE A 49 11.928 4.252 0.523 1.00 0.00 C ATOM 710 CD2 PHE A 49 9.839 3.785 1.504 1.00 0.00 C ATOM 711 CE1 PHE A 49 11.978 2.933 0.000 1.00 0.00 C ATOM 712 CE2 PHE A 49 9.888 2.466 0.982 1.00 0.00 C ATOM 713 CZ PHE A 49 10.956 2.067 0.241 1.00 0.00 C ATOM 0 H PHE A 49 9.619 6.288 4.011 1.00 0.00 H new ATOM 0 HA PHE A 49 12.382 5.561 3.252 1.00 0.00 H new ATOM 0 HB2 PHE A 49 9.763 6.362 1.955 1.00 0.00 H new ATOM 0 HB3 PHE A 49 11.241 6.757 1.099 1.00 0.00 H new ATOM 0 HD1 PHE A 49 12.739 4.939 0.332 1.00 0.00 H new ATOM 0 HD2 PHE A 49 8.990 4.101 2.092 1.00 0.00 H new ATOM 0 HE1 PHE A 49 12.826 2.617 -0.589 1.00 0.00 H new ATOM 0 HE2 PHE A 49 9.077 1.779 1.173 1.00 0.00 H new ATOM 0 HZ PHE A 49 10.993 1.063 -0.156 1.00 0.00 H new ATOM 723 N ASP A 50 11.334 8.486 4.015 1.00 0.00 N ATOM 724 CA ASP A 50 11.716 9.875 4.202 1.00 0.00 C ATOM 725 C ASP A 50 11.268 10.691 2.988 1.00 0.00 C ATOM 726 O ASP A 50 12.086 11.330 2.328 1.00 0.00 O ATOM 727 CB ASP A 50 13.234 10.016 4.332 1.00 0.00 C ATOM 728 CG ASP A 50 13.707 11.271 5.068 1.00 0.00 C ATOM 729 OD1 ASP A 50 13.356 11.396 6.261 1.00 0.00 O ATOM 730 OD2 ASP A 50 14.407 12.079 4.420 1.00 0.00 O ATOM 0 H ASP A 50 10.481 8.209 4.501 1.00 0.00 H new ATOM 0 HA ASP A 50 11.241 10.235 5.114 1.00 0.00 H new ATOM 0 HB2 ASP A 50 13.622 9.140 4.852 1.00 0.00 H new ATOM 0 HB3 ASP A 50 13.671 10.013 3.333 1.00 0.00 H new ATOM 735 N LEU A 51 9.969 10.643 2.730 1.00 0.00 N ATOM 736 CA LEU A 51 9.402 11.370 1.606 1.00 0.00 C ATOM 737 C LEU A 51 8.279 12.279 2.108 1.00 0.00 C ATOM 738 O LEU A 51 7.699 12.031 3.164 1.00 0.00 O ATOM 739 CB LEU A 51 8.965 10.400 0.507 1.00 0.00 C ATOM 740 CG LEU A 51 9.976 9.316 0.127 1.00 0.00 C ATOM 741 CD1 LEU A 51 9.280 8.124 -0.532 1.00 0.00 C ATOM 742 CD2 LEU A 51 11.088 9.889 -0.754 1.00 0.00 C ATOM 0 H LEU A 51 9.293 10.112 3.280 1.00 0.00 H new ATOM 0 HA LEU A 51 10.153 12.014 1.149 1.00 0.00 H new ATOM 0 HB2 LEU A 51 8.043 9.913 0.825 1.00 0.00 H new ATOM 0 HB3 LEU A 51 8.729 10.978 -0.387 1.00 0.00 H new ATOM 0 HG LEU A 51 10.445 8.950 1.041 1.00 0.00 H new ATOM 0 HD11 LEU A 51 10.021 7.368 -0.792 1.00 0.00 H new ATOM 0 HD12 LEU A 51 8.555 7.698 0.161 1.00 0.00 H new ATOM 0 HD13 LEU A 51 8.768 8.456 -1.435 1.00 0.00 H new ATOM 0 HD21 LEU A 51 11.793 9.098 -1.010 1.00 0.00 H new ATOM 0 HD22 LEU A 51 10.655 10.298 -1.667 1.00 0.00 H new ATOM 0 HD23 LEU A 51 11.609 10.679 -0.214 1.00 0.00 H new ATOM 754 N ASN A 52 8.004 13.313 1.326 1.00 0.00 N ATOM 755 CA ASN A 52 6.960 14.260 1.677 1.00 0.00 C ATOM 756 C ASN A 52 5.724 13.992 0.817 1.00 0.00 C ATOM 757 O ASN A 52 4.601 13.995 1.320 1.00 0.00 O ATOM 758 CB ASN A 52 7.412 15.699 1.420 1.00 0.00 C ATOM 759 CG ASN A 52 7.138 16.586 2.635 1.00 0.00 C ATOM 760 OD1 ASN A 52 6.458 16.205 3.574 1.00 0.00 O ATOM 761 ND2 ASN A 52 7.703 17.788 2.566 1.00 0.00 N ATOM 0 H ASN A 52 8.486 13.515 0.450 1.00 0.00 H new ATOM 0 HA ASN A 52 6.735 14.136 2.736 1.00 0.00 H new ATOM 0 HB2 ASN A 52 8.477 15.713 1.188 1.00 0.00 H new ATOM 0 HB3 ASN A 52 6.891 16.098 0.550 1.00 0.00 H new ATOM 0 HD21 ASN A 52 7.579 18.454 3.328 1.00 0.00 H new ATOM 0 HD22 ASN A 52 8.260 18.044 1.751 1.00 0.00 H new ATOM 768 N THR A 53 5.971 13.766 -0.464 1.00 0.00 N ATOM 769 CA THR A 53 4.892 13.496 -1.399 1.00 0.00 C ATOM 770 C THR A 53 5.205 12.251 -2.231 1.00 0.00 C ATOM 771 O THR A 53 6.209 12.210 -2.940 1.00 0.00 O ATOM 772 CB THR A 53 4.674 14.752 -2.245 1.00 0.00 C ATOM 773 OG1 THR A 53 5.991 15.230 -2.503 1.00 0.00 O ATOM 774 CG2 THR A 53 4.016 15.884 -1.453 1.00 0.00 C ATOM 0 H THR A 53 6.903 13.764 -0.877 1.00 0.00 H new ATOM 0 HA THR A 53 3.962 13.273 -0.875 1.00 0.00 H new ATOM 0 HB THR A 53 4.056 14.505 -3.108 1.00 0.00 H new ATOM 0 HG1 THR A 53 6.572 14.477 -2.738 1.00 0.00 H new ATOM 0 HG21 THR A 53 3.884 16.751 -2.100 1.00 0.00 H new ATOM 0 HG22 THR A 53 3.044 15.554 -1.086 1.00 0.00 H new ATOM 0 HG23 THR A 53 4.650 16.154 -0.609 1.00 0.00 H new ATOM 782 N ILE A 54 4.327 11.265 -2.116 1.00 0.00 N ATOM 783 CA ILE A 54 4.497 10.022 -2.848 1.00 0.00 C ATOM 784 C ILE A 54 3.149 9.586 -3.425 1.00 0.00 C ATOM 785 O ILE A 54 2.100 10.055 -2.984 1.00 0.00 O ATOM 786 CB ILE A 54 5.158 8.964 -1.962 1.00 0.00 C ATOM 787 CG1 ILE A 54 4.124 8.271 -1.071 1.00 0.00 C ATOM 788 CG2 ILE A 54 6.303 9.569 -1.147 1.00 0.00 C ATOM 789 CD1 ILE A 54 4.775 7.171 -0.230 1.00 0.00 C ATOM 0 H ILE A 54 3.495 11.302 -1.526 1.00 0.00 H new ATOM 0 HA ILE A 54 5.173 10.166 -3.691 1.00 0.00 H new ATOM 0 HB ILE A 54 5.591 8.200 -2.608 1.00 0.00 H new ATOM 0 HG12 ILE A 54 3.653 9.004 -0.416 1.00 0.00 H new ATOM 0 HG13 ILE A 54 3.335 7.843 -1.689 1.00 0.00 H new ATOM 0 HG21 ILE A 54 6.756 8.796 -0.526 1.00 0.00 H new ATOM 0 HG22 ILE A 54 7.054 9.978 -1.823 1.00 0.00 H new ATOM 0 HG23 ILE A 54 5.916 10.365 -0.511 1.00 0.00 H new ATOM 0 HD11 ILE A 54 4.019 6.694 0.394 1.00 0.00 H new ATOM 0 HD12 ILE A 54 5.224 6.427 -0.888 1.00 0.00 H new ATOM 0 HD13 ILE A 54 5.547 7.607 0.404 1.00 0.00 H new ATOM 801 N GLN A 55 3.220 8.694 -4.402 1.00 0.00 N ATOM 802 CA GLN A 55 2.017 8.189 -5.043 1.00 0.00 C ATOM 803 C GLN A 55 2.097 6.670 -5.200 1.00 0.00 C ATOM 804 O GLN A 55 2.094 6.156 -6.318 1.00 0.00 O ATOM 805 CB GLN A 55 1.791 8.869 -6.395 1.00 0.00 C ATOM 806 CG GLN A 55 0.300 8.929 -6.735 1.00 0.00 C ATOM 807 CD GLN A 55 -0.417 9.973 -5.876 1.00 0.00 C ATOM 808 OE1 GLN A 55 -0.242 11.170 -6.033 1.00 0.00 O ATOM 809 NE2 GLN A 55 -1.231 9.453 -4.961 1.00 0.00 N ATOM 0 H GLN A 55 4.091 8.308 -4.765 1.00 0.00 H new ATOM 0 HA GLN A 55 1.163 8.424 -4.407 1.00 0.00 H new ATOM 0 HB2 GLN A 55 2.204 9.878 -6.373 1.00 0.00 H new ATOM 0 HB3 GLN A 55 2.324 8.324 -7.174 1.00 0.00 H new ATOM 0 HG2 GLN A 55 0.173 9.172 -7.790 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -0.152 7.950 -6.577 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -1.331 8.441 -4.883 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -1.755 10.066 -4.337 1.00 0.00 H new ATOM 818 N ILE A 56 2.168 5.992 -4.064 1.00 0.00 N ATOM 819 CA ILE A 56 2.248 4.541 -4.061 1.00 0.00 C ATOM 820 C ILE A 56 1.352 3.983 -5.168 1.00 0.00 C ATOM 821 O ILE A 56 0.383 4.625 -5.571 1.00 0.00 O ATOM 822 CB ILE A 56 1.925 3.989 -2.671 1.00 0.00 C ATOM 823 CG1 ILE A 56 2.959 4.452 -1.643 1.00 0.00 C ATOM 824 CG2 ILE A 56 1.792 2.465 -2.704 1.00 0.00 C ATOM 825 CD1 ILE A 56 2.307 4.698 -0.281 1.00 0.00 C ATOM 0 H ILE A 56 2.172 6.421 -3.139 1.00 0.00 H new ATOM 0 HA ILE A 56 3.265 4.215 -4.279 1.00 0.00 H new ATOM 0 HB ILE A 56 0.960 4.390 -2.360 1.00 0.00 H new ATOM 0 HG12 ILE A 56 3.741 3.700 -1.545 1.00 0.00 H new ATOM 0 HG13 ILE A 56 3.438 5.367 -1.991 1.00 0.00 H new ATOM 0 HG21 ILE A 56 1.562 2.098 -1.704 1.00 0.00 H new ATOM 0 HG22 ILE A 56 0.990 2.184 -3.386 1.00 0.00 H new ATOM 0 HG23 ILE A 56 2.729 2.025 -3.045 1.00 0.00 H new ATOM 0 HD11 ILE A 56 3.064 5.026 0.431 1.00 0.00 H new ATOM 0 HD12 ILE A 56 1.542 5.468 -0.378 1.00 0.00 H new ATOM 0 HD13 ILE A 56 1.850 3.775 0.075 1.00 0.00 H new ATOM 837 N LYS A 57 1.707 2.792 -5.629 1.00 0.00 N ATOM 838 CA LYS A 57 0.947 2.140 -6.682 1.00 0.00 C ATOM 839 C LYS A 57 1.119 0.625 -6.565 1.00 0.00 C ATOM 840 O LYS A 57 2.238 0.117 -6.629 1.00 0.00 O ATOM 841 CB LYS A 57 1.339 2.700 -8.051 1.00 0.00 C ATOM 842 CG LYS A 57 0.678 4.058 -8.298 1.00 0.00 C ATOM 843 CD LYS A 57 0.273 4.212 -9.765 1.00 0.00 C ATOM 844 CE LYS A 57 0.068 5.685 -10.125 1.00 0.00 C ATOM 845 NZ LYS A 57 -1.172 5.858 -10.915 1.00 0.00 N ATOM 0 H LYS A 57 2.511 2.262 -5.292 1.00 0.00 H new ATOM 0 HA LYS A 57 -0.117 2.350 -6.570 1.00 0.00 H new ATOM 0 HB2 LYS A 57 2.423 2.803 -8.109 1.00 0.00 H new ATOM 0 HB3 LYS A 57 1.043 2.000 -8.832 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -0.201 4.160 -7.662 1.00 0.00 H new ATOM 0 HG3 LYS A 57 1.366 4.857 -8.021 1.00 0.00 H new ATOM 0 HD2 LYS A 57 1.042 3.781 -10.406 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -0.646 3.657 -9.953 1.00 0.00 H new ATOM 0 HE2 LYS A 57 0.013 6.283 -9.216 1.00 0.00 H new ATOM 0 HE3 LYS A 57 0.923 6.049 -10.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -1.517 6.833 -10.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -0.974 5.667 -11.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -1.897 5.195 -10.573 1.00 0.00 H new ATOM 859 N TYR A 58 -0.005 -0.055 -6.396 1.00 0.00 N ATOM 860 CA TYR A 58 0.007 -1.503 -6.270 1.00 0.00 C ATOM 861 C TYR A 58 -0.570 -2.167 -7.522 1.00 0.00 C ATOM 862 O TYR A 58 -1.529 -1.668 -8.108 1.00 0.00 O ATOM 863 CB TYR A 58 -0.890 -1.829 -5.075 1.00 0.00 C ATOM 864 CG TYR A 58 -2.379 -1.913 -5.418 1.00 0.00 C ATOM 865 CD1 TYR A 58 -2.895 -3.065 -5.974 1.00 0.00 C ATOM 866 CD2 TYR A 58 -3.205 -0.835 -5.170 1.00 0.00 C ATOM 867 CE1 TYR A 58 -4.296 -3.143 -6.297 1.00 0.00 C ATOM 868 CE2 TYR A 58 -4.606 -0.913 -5.493 1.00 0.00 C ATOM 869 CZ TYR A 58 -5.083 -2.063 -6.041 1.00 0.00 C ATOM 870 OH TYR A 58 -6.406 -2.137 -6.346 1.00 0.00 O ATOM 0 H TYR A 58 -0.931 0.370 -6.343 1.00 0.00 H new ATOM 0 HA TYR A 58 1.026 -1.869 -6.141 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -0.573 -2.779 -4.644 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -0.747 -1.068 -4.308 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -2.248 -3.908 -6.167 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -2.801 0.066 -4.734 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -4.713 -4.039 -6.733 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -5.263 -0.077 -5.304 1.00 0.00 H new ATOM 0 HH TYR A 58 -6.886 -1.408 -5.900 1.00 0.00 H new ATOM 880 N LEU A 59 0.039 -3.283 -7.894 1.00 0.00 N ATOM 881 CA LEU A 59 -0.402 -4.021 -9.066 1.00 0.00 C ATOM 882 C LEU A 59 -1.668 -4.808 -8.720 1.00 0.00 C ATOM 883 O LEU A 59 -1.713 -5.505 -7.708 1.00 0.00 O ATOM 884 CB LEU A 59 0.733 -4.890 -9.610 1.00 0.00 C ATOM 885 CG LEU A 59 1.779 -4.170 -10.464 1.00 0.00 C ATOM 886 CD1 LEU A 59 2.709 -5.172 -11.151 1.00 0.00 C ATOM 887 CD2 LEU A 59 1.113 -3.225 -11.466 1.00 0.00 C ATOM 0 H LEU A 59 0.834 -3.694 -7.405 1.00 0.00 H new ATOM 0 HA LEU A 59 -0.662 -3.336 -9.873 1.00 0.00 H new ATOM 0 HB2 LEU A 59 1.241 -5.359 -8.767 1.00 0.00 H new ATOM 0 HB3 LEU A 59 0.297 -5.692 -10.205 1.00 0.00 H new ATOM 0 HG LEU A 59 2.395 -3.558 -9.806 1.00 0.00 H new ATOM 0 HD11 LEU A 59 3.443 -4.635 -11.752 1.00 0.00 H new ATOM 0 HD12 LEU A 59 3.223 -5.767 -10.397 1.00 0.00 H new ATOM 0 HD13 LEU A 59 2.124 -5.829 -11.795 1.00 0.00 H new ATOM 0 HD21 LEU A 59 1.879 -2.726 -12.060 1.00 0.00 H new ATOM 0 HD22 LEU A 59 0.458 -3.796 -12.124 1.00 0.00 H new ATOM 0 HD23 LEU A 59 0.527 -2.479 -10.929 1.00 0.00 H new ATOM 899 N ASP A 60 -2.665 -4.671 -9.582 1.00 0.00 N ATOM 900 CA ASP A 60 -3.928 -5.361 -9.381 1.00 0.00 C ATOM 901 C ASP A 60 -3.841 -6.763 -9.986 1.00 0.00 C ATOM 902 O ASP A 60 -2.782 -7.175 -10.458 1.00 0.00 O ATOM 903 CB ASP A 60 -5.076 -4.620 -10.069 1.00 0.00 C ATOM 904 CG ASP A 60 -4.724 -3.995 -11.421 1.00 0.00 C ATOM 905 OD1 ASP A 60 -4.176 -4.738 -12.264 1.00 0.00 O ATOM 906 OD2 ASP A 60 -5.012 -2.789 -11.581 1.00 0.00 O ATOM 0 H ASP A 60 -2.624 -4.092 -10.421 1.00 0.00 H new ATOM 0 HA ASP A 60 -4.119 -5.407 -8.309 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -5.904 -5.315 -10.211 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -5.431 -3.833 -9.403 1.00 0.00 H new ATOM 911 N GLU A 61 -4.968 -7.459 -9.953 1.00 0.00 N ATOM 912 CA GLU A 61 -5.032 -8.807 -10.492 1.00 0.00 C ATOM 913 C GLU A 61 -4.683 -8.799 -11.982 1.00 0.00 C ATOM 914 O GLU A 61 -4.454 -9.853 -12.574 1.00 0.00 O ATOM 915 CB GLU A 61 -6.410 -9.428 -10.254 1.00 0.00 C ATOM 916 CG GLU A 61 -6.566 -9.874 -8.799 1.00 0.00 C ATOM 917 CD GLU A 61 -6.919 -11.360 -8.716 1.00 0.00 C ATOM 918 OE1 GLU A 61 -8.106 -11.676 -8.945 1.00 0.00 O ATOM 919 OE2 GLU A 61 -5.992 -12.148 -8.426 1.00 0.00 O ATOM 0 H GLU A 61 -5.844 -7.115 -9.561 1.00 0.00 H new ATOM 0 HA GLU A 61 -4.299 -9.422 -9.970 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -7.187 -8.704 -10.502 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -6.547 -10.282 -10.917 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -5.640 -9.686 -8.256 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -7.345 -9.284 -8.316 1.00 0.00 H new ATOM 926 N GLU A 62 -4.654 -7.600 -12.544 1.00 0.00 N ATOM 927 CA GLU A 62 -4.337 -7.442 -13.953 1.00 0.00 C ATOM 928 C GLU A 62 -2.882 -7.002 -14.124 1.00 0.00 C ATOM 929 O GLU A 62 -2.414 -6.814 -15.246 1.00 0.00 O ATOM 930 CB GLU A 62 -5.292 -6.451 -14.622 1.00 0.00 C ATOM 931 CG GLU A 62 -6.740 -6.936 -14.529 1.00 0.00 C ATOM 932 CD GLU A 62 -7.503 -6.634 -15.820 1.00 0.00 C ATOM 933 OE1 GLU A 62 -7.201 -7.307 -16.829 1.00 0.00 O ATOM 934 OE2 GLU A 62 -8.373 -5.738 -15.768 1.00 0.00 O ATOM 0 H GLU A 62 -4.845 -6.729 -12.049 1.00 0.00 H new ATOM 0 HA GLU A 62 -4.464 -8.407 -14.444 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -5.201 -5.475 -14.146 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -5.014 -6.323 -15.668 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -6.756 -8.008 -14.335 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -7.236 -6.452 -13.688 1.00 0.00 H new ATOM 941 N ASN A 63 -2.207 -6.849 -12.994 1.00 0.00 N ATOM 942 CA ASN A 63 -0.814 -6.434 -13.004 1.00 0.00 C ATOM 943 C ASN A 63 -0.729 -4.960 -13.405 1.00 0.00 C ATOM 944 O ASN A 63 0.265 -4.528 -13.988 1.00 0.00 O ATOM 945 CB ASN A 63 -0.005 -7.247 -14.017 1.00 0.00 C ATOM 946 CG ASN A 63 1.247 -7.841 -13.368 1.00 0.00 C ATOM 947 OD1 ASN A 63 1.213 -8.385 -12.277 1.00 0.00 O ATOM 948 ND2 ASN A 63 2.350 -7.707 -14.099 1.00 0.00 N ATOM 0 H ASN A 63 -2.599 -7.005 -12.065 1.00 0.00 H new ATOM 0 HA ASN A 63 -0.407 -6.594 -12.006 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -0.623 -8.048 -14.423 1.00 0.00 H new ATOM 0 HB3 ASN A 63 0.282 -6.610 -14.854 1.00 0.00 H new ATOM 0 HD21 ASN A 63 3.238 -8.071 -13.754 1.00 0.00 H new ATOM 0 HD22 ASN A 63 2.308 -7.240 -15.005 1.00 0.00 H new ATOM 955 N GLU A 64 -1.783 -4.228 -13.076 1.00 0.00 N ATOM 956 CA GLU A 64 -1.840 -2.812 -13.395 1.00 0.00 C ATOM 957 C GLU A 64 -1.644 -1.975 -12.129 1.00 0.00 C ATOM 958 O GLU A 64 -2.335 -2.180 -11.132 1.00 0.00 O ATOM 959 CB GLU A 64 -3.157 -2.457 -14.088 1.00 0.00 C ATOM 960 CG GLU A 64 -3.083 -2.749 -15.588 1.00 0.00 C ATOM 961 CD GLU A 64 -4.347 -2.268 -16.303 1.00 0.00 C ATOM 962 OE1 GLU A 64 -5.438 -2.715 -15.888 1.00 0.00 O ATOM 963 OE2 GLU A 64 -4.194 -1.465 -17.248 1.00 0.00 O ATOM 0 H GLU A 64 -2.605 -4.589 -12.591 1.00 0.00 H new ATOM 0 HA GLU A 64 -1.031 -2.583 -14.088 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -3.972 -3.028 -13.643 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -3.383 -1.402 -13.930 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -2.209 -2.257 -16.015 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -2.955 -3.820 -15.748 1.00 0.00 H new ATOM 970 N GLU A 65 -0.698 -1.050 -12.209 1.00 0.00 N ATOM 971 CA GLU A 65 -0.403 -0.182 -11.082 1.00 0.00 C ATOM 972 C GLU A 65 -1.651 0.605 -10.677 1.00 0.00 C ATOM 973 O GLU A 65 -2.242 1.305 -11.497 1.00 0.00 O ATOM 974 CB GLU A 65 0.758 0.761 -11.406 1.00 0.00 C ATOM 975 CG GLU A 65 2.104 0.072 -11.174 1.00 0.00 C ATOM 976 CD GLU A 65 3.232 1.099 -11.054 1.00 0.00 C ATOM 977 OE1 GLU A 65 3.409 1.618 -9.931 1.00 0.00 O ATOM 978 OE2 GLU A 65 3.892 1.341 -12.088 1.00 0.00 O ATOM 0 H GLU A 65 -0.126 -0.883 -13.037 1.00 0.00 H new ATOM 0 HA GLU A 65 -0.100 -0.803 -10.239 1.00 0.00 H new ATOM 0 HB2 GLU A 65 0.687 1.088 -12.443 1.00 0.00 H new ATOM 0 HB3 GLU A 65 0.690 1.654 -10.785 1.00 0.00 H new ATOM 0 HG2 GLU A 65 2.057 -0.530 -10.266 1.00 0.00 H new ATOM 0 HG3 GLU A 65 2.314 -0.610 -11.998 1.00 0.00 H new ATOM 985 N VAL A 66 -2.016 0.463 -9.411 1.00 0.00 N ATOM 986 CA VAL A 66 -3.183 1.151 -8.886 1.00 0.00 C ATOM 987 C VAL A 66 -2.753 2.084 -7.753 1.00 0.00 C ATOM 988 O VAL A 66 -2.144 1.644 -6.779 1.00 0.00 O ATOM 989 CB VAL A 66 -4.241 0.133 -8.454 1.00 0.00 C ATOM 990 CG1 VAL A 66 -5.484 0.835 -7.903 1.00 0.00 C ATOM 991 CG2 VAL A 66 -4.605 -0.802 -9.609 1.00 0.00 C ATOM 0 H VAL A 66 -1.524 -0.119 -8.733 1.00 0.00 H new ATOM 0 HA VAL A 66 -3.642 1.768 -9.658 1.00 0.00 H new ATOM 0 HB VAL A 66 -3.817 -0.473 -7.654 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -6.220 0.089 -7.603 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -5.208 1.440 -7.039 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -5.911 1.477 -8.674 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -5.359 -1.516 -9.276 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -5.001 -0.217 -10.439 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -3.715 -1.340 -9.936 1.00 0.00 H new ATOM 1001 N SER A 67 -3.087 3.356 -7.917 1.00 0.00 N ATOM 1002 CA SER A 67 -2.743 4.355 -6.920 1.00 0.00 C ATOM 1003 C SER A 67 -3.826 4.412 -5.841 1.00 0.00 C ATOM 1004 O SER A 67 -5.016 4.452 -6.153 1.00 0.00 O ATOM 1005 CB SER A 67 -2.558 5.732 -7.560 1.00 0.00 C ATOM 1006 OG SER A 67 -3.804 6.339 -7.890 1.00 0.00 O ATOM 0 H SER A 67 -3.592 3.717 -8.726 1.00 0.00 H new ATOM 0 HA SER A 67 -1.797 4.068 -6.461 1.00 0.00 H new ATOM 0 HB2 SER A 67 -2.010 6.379 -6.876 1.00 0.00 H new ATOM 0 HB3 SER A 67 -1.952 5.635 -8.461 1.00 0.00 H new ATOM 0 HG SER A 67 -3.643 7.217 -8.295 1.00 0.00 H new ATOM 1012 N ILE A 68 -3.377 4.415 -4.595 1.00 0.00 N ATOM 1013 CA ILE A 68 -4.293 4.467 -3.469 1.00 0.00 C ATOM 1014 C ILE A 68 -4.276 5.874 -2.868 1.00 0.00 C ATOM 1015 O ILE A 68 -3.213 6.405 -2.552 1.00 0.00 O ATOM 1016 CB ILE A 68 -3.966 3.364 -2.461 1.00 0.00 C ATOM 1017 CG1 ILE A 68 -3.923 1.994 -3.142 1.00 0.00 C ATOM 1018 CG2 ILE A 68 -4.944 3.388 -1.284 1.00 0.00 C ATOM 1019 CD1 ILE A 68 -3.397 0.922 -2.185 1.00 0.00 C ATOM 0 H ILE A 68 -2.390 4.382 -4.340 1.00 0.00 H new ATOM 0 HA ILE A 68 -5.314 4.273 -3.799 1.00 0.00 H new ATOM 0 HB ILE A 68 -2.972 3.555 -2.057 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -4.922 1.723 -3.484 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -3.286 2.043 -4.025 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -4.689 2.594 -0.583 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -4.882 4.352 -0.779 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -5.959 3.236 -1.651 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -3.377 -0.042 -2.694 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -2.389 1.184 -1.864 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -4.050 0.859 -1.315 1.00 0.00 H new ATOM 1031 N ASN A 69 -5.467 6.437 -2.728 1.00 0.00 N ATOM 1032 CA ASN A 69 -5.603 7.772 -2.170 1.00 0.00 C ATOM 1033 C ASN A 69 -6.448 7.705 -0.897 1.00 0.00 C ATOM 1034 O ASN A 69 -6.153 8.384 0.086 1.00 0.00 O ATOM 1035 CB ASN A 69 -6.303 8.712 -3.154 1.00 0.00 C ATOM 1036 CG ASN A 69 -7.203 7.930 -4.113 1.00 0.00 C ATOM 1037 OD1 ASN A 69 -8.407 7.837 -3.939 1.00 0.00 O ATOM 1038 ND2 ASN A 69 -6.553 7.374 -5.132 1.00 0.00 N ATOM 0 H ASN A 69 -6.347 5.993 -2.991 1.00 0.00 H new ATOM 0 HA ASN A 69 -4.604 8.152 -1.958 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -6.898 9.442 -2.605 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -5.558 9.270 -3.722 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -7.064 6.830 -5.827 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -5.543 7.491 -5.218 1.00 0.00 H new ATOM 1045 N SER A 70 -7.483 6.880 -0.955 1.00 0.00 N ATOM 1046 CA SER A 70 -8.373 6.715 0.182 1.00 0.00 C ATOM 1047 C SER A 70 -8.305 5.275 0.695 1.00 0.00 C ATOM 1048 O SER A 70 -7.537 4.464 0.181 1.00 0.00 O ATOM 1049 CB SER A 70 -9.813 7.079 -0.189 1.00 0.00 C ATOM 1050 OG SER A 70 -10.373 8.027 0.715 1.00 0.00 O ATOM 0 H SER A 70 -7.725 6.319 -1.771 1.00 0.00 H new ATOM 0 HA SER A 70 -8.048 7.391 0.973 1.00 0.00 H new ATOM 0 HB2 SER A 70 -9.835 7.485 -1.200 1.00 0.00 H new ATOM 0 HB3 SER A 70 -10.425 6.177 -0.194 1.00 0.00 H new ATOM 0 HG SER A 70 -11.291 8.235 0.444 1.00 0.00 H new ATOM 1056 N GLN A 71 -9.120 5.002 1.704 1.00 0.00 N ATOM 1057 CA GLN A 71 -9.162 3.674 2.293 1.00 0.00 C ATOM 1058 C GLN A 71 -9.704 2.662 1.282 1.00 0.00 C ATOM 1059 O GLN A 71 -9.064 1.647 1.009 1.00 0.00 O ATOM 1060 CB GLN A 71 -9.996 3.669 3.575 1.00 0.00 C ATOM 1061 CG GLN A 71 -9.953 2.297 4.252 1.00 0.00 C ATOM 1062 CD GLN A 71 -9.226 2.371 5.596 1.00 0.00 C ATOM 1063 OE1 GLN A 71 -9.315 3.344 6.327 1.00 0.00 O ATOM 1064 NE2 GLN A 71 -8.502 1.292 5.879 1.00 0.00 N ATOM 0 H GLN A 71 -9.756 5.677 2.128 1.00 0.00 H new ATOM 0 HA GLN A 71 -8.146 3.383 2.559 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -9.620 4.429 4.260 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -11.028 3.932 3.343 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -10.968 1.930 4.403 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -9.450 1.582 3.601 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -8.471 0.512 5.222 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -7.978 1.244 6.753 1.00 0.00 H new ATOM 1073 N GLY A 72 -10.879 2.972 0.754 1.00 0.00 N ATOM 1074 CA GLY A 72 -11.515 2.103 -0.221 1.00 0.00 C ATOM 1075 C GLY A 72 -10.479 1.488 -1.165 1.00 0.00 C ATOM 1076 O GLY A 72 -10.435 0.270 -1.335 1.00 0.00 O ATOM 0 H GLY A 72 -11.407 3.814 0.983 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -12.060 1.311 0.293 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -12.246 2.670 -0.797 1.00 0.00 H new ATOM 1080 N GLU A 73 -9.673 2.358 -1.754 1.00 0.00 N ATOM 1081 CA GLU A 73 -8.641 1.916 -2.677 1.00 0.00 C ATOM 1082 C GLU A 73 -7.705 0.919 -1.989 1.00 0.00 C ATOM 1083 O GLU A 73 -7.357 -0.110 -2.565 1.00 0.00 O ATOM 1084 CB GLU A 73 -7.858 3.106 -3.235 1.00 0.00 C ATOM 1085 CG GLU A 73 -8.568 3.708 -4.450 1.00 0.00 C ATOM 1086 CD GLU A 73 -8.926 5.175 -4.205 1.00 0.00 C ATOM 1087 OE1 GLU A 73 -9.082 5.530 -3.016 1.00 0.00 O ATOM 1088 OE2 GLU A 73 -9.034 5.908 -5.211 1.00 0.00 O ATOM 0 H GLU A 73 -9.713 3.367 -1.610 1.00 0.00 H new ATOM 0 HA GLU A 73 -9.123 1.414 -3.516 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -7.745 3.866 -2.462 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -6.855 2.786 -3.517 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -7.926 3.628 -5.327 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -9.473 3.140 -4.665 1.00 0.00 H new ATOM 1095 N TYR A 74 -7.326 1.259 -0.766 1.00 0.00 N ATOM 1096 CA TYR A 74 -6.438 0.407 0.006 1.00 0.00 C ATOM 1097 C TYR A 74 -7.129 -0.904 0.385 1.00 0.00 C ATOM 1098 O TYR A 74 -6.583 -1.984 0.164 1.00 0.00 O ATOM 1099 CB TYR A 74 -6.112 1.185 1.283 1.00 0.00 C ATOM 1100 CG TYR A 74 -5.131 0.469 2.214 1.00 0.00 C ATOM 1101 CD1 TYR A 74 -4.094 -0.273 1.686 1.00 0.00 C ATOM 1102 CD2 TYR A 74 -5.284 0.565 3.583 1.00 0.00 C ATOM 1103 CE1 TYR A 74 -3.172 -0.947 2.563 1.00 0.00 C ATOM 1104 CE2 TYR A 74 -4.362 -0.109 4.459 1.00 0.00 C ATOM 1105 CZ TYR A 74 -3.351 -0.832 3.906 1.00 0.00 C ATOM 1106 OH TYR A 74 -2.480 -1.468 4.734 1.00 0.00 O ATOM 0 H TYR A 74 -7.618 2.113 -0.291 1.00 0.00 H new ATOM 0 HA TYR A 74 -5.547 0.158 -0.571 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -5.696 2.154 1.009 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -7.038 1.377 1.826 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -3.974 -0.348 0.615 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -6.095 1.146 3.996 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -2.356 -1.531 2.163 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -4.470 -0.042 5.531 1.00 0.00 H new ATOM 0 HH TYR A 74 -2.730 -1.296 5.666 1.00 0.00 H new ATOM 1116 N GLU A 75 -8.320 -0.767 0.949 1.00 0.00 N ATOM 1117 CA GLU A 75 -9.091 -1.928 1.360 1.00 0.00 C ATOM 1118 C GLU A 75 -9.027 -3.016 0.286 1.00 0.00 C ATOM 1119 O GLU A 75 -8.510 -4.105 0.530 1.00 0.00 O ATOM 1120 CB GLU A 75 -10.540 -1.543 1.666 1.00 0.00 C ATOM 1121 CG GLU A 75 -10.621 -0.655 2.909 1.00 0.00 C ATOM 1122 CD GLU A 75 -11.717 -1.142 3.860 1.00 0.00 C ATOM 1123 OE1 GLU A 75 -12.792 -1.516 3.344 1.00 0.00 O ATOM 1124 OE2 GLU A 75 -11.454 -1.129 5.082 1.00 0.00 O ATOM 0 H GLU A 75 -8.770 0.130 1.131 1.00 0.00 H new ATOM 0 HA GLU A 75 -8.654 -2.325 2.276 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -10.969 -1.019 0.812 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -11.135 -2.444 1.819 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -9.661 -0.656 3.424 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -10.823 0.374 2.613 1.00 0.00 H new ATOM 1131 N GLU A 76 -9.560 -2.683 -0.880 1.00 0.00 N ATOM 1132 CA GLU A 76 -9.570 -3.617 -1.992 1.00 0.00 C ATOM 1133 C GLU A 76 -8.184 -4.236 -2.179 1.00 0.00 C ATOM 1134 O GLU A 76 -8.037 -5.457 -2.158 1.00 0.00 O ATOM 1135 CB GLU A 76 -10.044 -2.935 -3.278 1.00 0.00 C ATOM 1136 CG GLU A 76 -11.537 -2.608 -3.207 1.00 0.00 C ATOM 1137 CD GLU A 76 -12.080 -2.228 -4.586 1.00 0.00 C ATOM 1138 OE1 GLU A 76 -11.732 -1.119 -5.047 1.00 0.00 O ATOM 1139 OE2 GLU A 76 -12.831 -3.054 -5.148 1.00 0.00 O ATOM 0 H GLU A 76 -9.988 -1.779 -1.079 1.00 0.00 H new ATOM 0 HA GLU A 76 -10.275 -4.416 -1.762 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -9.475 -2.020 -3.439 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -9.851 -3.585 -4.131 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -12.084 -3.468 -2.821 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -11.701 -1.787 -2.509 1.00 0.00 H new ATOM 1146 N ALA A 77 -7.201 -3.365 -2.356 1.00 0.00 N ATOM 1147 CA ALA A 77 -5.831 -3.810 -2.546 1.00 0.00 C ATOM 1148 C ALA A 77 -5.484 -4.848 -1.477 1.00 0.00 C ATOM 1149 O ALA A 77 -4.846 -5.858 -1.771 1.00 0.00 O ATOM 1150 CB ALA A 77 -4.892 -2.603 -2.512 1.00 0.00 C ATOM 0 H ALA A 77 -7.326 -2.353 -2.372 1.00 0.00 H new ATOM 0 HA ALA A 77 -5.714 -4.286 -3.519 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -3.864 -2.937 -2.655 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -5.162 -1.910 -3.309 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -4.980 -2.101 -1.549 1.00 0.00 H new ATOM 1156 N LEU A 78 -5.920 -4.564 -0.258 1.00 0.00 N ATOM 1157 CA LEU A 78 -5.664 -5.461 0.856 1.00 0.00 C ATOM 1158 C LEU A 78 -6.407 -6.779 0.626 1.00 0.00 C ATOM 1159 O LEU A 78 -5.891 -7.850 0.942 1.00 0.00 O ATOM 1160 CB LEU A 78 -6.013 -4.781 2.182 1.00 0.00 C ATOM 1161 CG LEU A 78 -4.962 -3.819 2.739 1.00 0.00 C ATOM 1162 CD1 LEU A 78 -5.544 -2.966 3.868 1.00 0.00 C ATOM 1163 CD2 LEU A 78 -3.706 -4.573 3.179 1.00 0.00 C ATOM 0 H LEU A 78 -6.449 -3.725 -0.018 1.00 0.00 H new ATOM 0 HA LEU A 78 -4.602 -5.700 0.916 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -6.946 -4.233 2.052 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -6.199 -5.555 2.927 1.00 0.00 H new ATOM 0 HG LEU A 78 -4.665 -3.138 1.941 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -4.777 -2.291 4.247 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -6.384 -2.384 3.489 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -5.887 -3.614 4.674 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -2.975 -3.865 3.571 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -3.967 -5.292 3.955 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -3.280 -5.099 2.325 1.00 0.00 H new ATOM 1175 N LYS A 79 -7.607 -6.657 0.078 1.00 0.00 N ATOM 1176 CA LYS A 79 -8.426 -7.825 -0.198 1.00 0.00 C ATOM 1177 C LYS A 79 -7.711 -8.714 -1.218 1.00 0.00 C ATOM 1178 O LYS A 79 -7.701 -9.936 -1.081 1.00 0.00 O ATOM 1179 CB LYS A 79 -9.832 -7.404 -0.628 1.00 0.00 C ATOM 1180 CG LYS A 79 -10.650 -6.919 0.571 1.00 0.00 C ATOM 1181 CD LYS A 79 -11.335 -5.586 0.265 1.00 0.00 C ATOM 1182 CE LYS A 79 -12.338 -5.220 1.361 1.00 0.00 C ATOM 1183 NZ LYS A 79 -13.305 -4.216 0.864 1.00 0.00 N ATOM 0 H LYS A 79 -8.032 -5.767 -0.182 1.00 0.00 H new ATOM 0 HA LYS A 79 -8.559 -8.419 0.706 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -9.766 -6.611 -1.373 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -10.338 -8.245 -1.102 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -11.400 -7.666 0.830 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -9.999 -6.807 1.438 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -10.585 -4.800 0.176 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -11.847 -5.648 -0.695 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -12.869 -6.114 1.689 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -11.809 -4.826 2.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -13.978 -3.979 1.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -12.795 -3.358 0.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -13.822 -4.605 0.050 1.00 0.00 H new ATOM 1197 N MET A 80 -7.132 -8.066 -2.217 1.00 0.00 N ATOM 1198 CA MET A 80 -6.417 -8.782 -3.259 1.00 0.00 C ATOM 1199 C MET A 80 -5.153 -9.441 -2.704 1.00 0.00 C ATOM 1200 O MET A 80 -4.800 -10.550 -3.101 1.00 0.00 O ATOM 1201 CB MET A 80 -6.037 -7.811 -4.379 1.00 0.00 C ATOM 1202 CG MET A 80 -5.620 -8.566 -5.642 1.00 0.00 C ATOM 1203 SD MET A 80 -4.640 -7.506 -6.692 1.00 0.00 S ATOM 1204 CE MET A 80 -3.000 -7.995 -6.182 1.00 0.00 C ATOM 0 H MET A 80 -7.143 -7.052 -2.327 1.00 0.00 H new ATOM 0 HA MET A 80 -7.070 -9.563 -3.649 1.00 0.00 H new ATOM 0 HB2 MET A 80 -6.882 -7.160 -4.603 1.00 0.00 H new ATOM 0 HB3 MET A 80 -5.220 -7.170 -4.048 1.00 0.00 H new ATOM 0 HG2 MET A 80 -5.048 -9.454 -5.373 1.00 0.00 H new ATOM 0 HG3 MET A 80 -6.504 -8.908 -6.180 1.00 0.00 H new ATOM 0 HE1 MET A 80 -2.365 -7.113 -6.104 1.00 0.00 H new ATOM 0 HE2 MET A 80 -3.053 -8.491 -5.213 1.00 0.00 H new ATOM 0 HE3 MET A 80 -2.580 -8.681 -6.918 1.00 0.00 H new ATOM 1214 N ALA A 81 -4.504 -8.729 -1.794 1.00 0.00 N ATOM 1215 CA ALA A 81 -3.287 -9.230 -1.179 1.00 0.00 C ATOM 1216 C ALA A 81 -3.548 -10.624 -0.603 1.00 0.00 C ATOM 1217 O ALA A 81 -2.720 -11.522 -0.744 1.00 0.00 O ATOM 1218 CB ALA A 81 -2.806 -8.241 -0.116 1.00 0.00 C ATOM 0 H ALA A 81 -4.799 -7.809 -1.468 1.00 0.00 H new ATOM 0 HA ALA A 81 -2.493 -9.322 -1.920 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -1.893 -8.618 0.345 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -2.606 -7.276 -0.581 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -3.576 -8.124 0.647 1.00 0.00 H new ATOM 1224 N VAL A 82 -4.701 -10.759 0.033 1.00 0.00 N ATOM 1225 CA VAL A 82 -5.082 -12.028 0.631 1.00 0.00 C ATOM 1226 C VAL A 82 -5.020 -13.126 -0.432 1.00 0.00 C ATOM 1227 O VAL A 82 -4.548 -14.230 -0.162 1.00 0.00 O ATOM 1228 CB VAL A 82 -6.459 -11.906 1.286 1.00 0.00 C ATOM 1229 CG1 VAL A 82 -6.924 -13.254 1.840 1.00 0.00 C ATOM 1230 CG2 VAL A 82 -6.454 -10.836 2.379 1.00 0.00 C ATOM 0 H VAL A 82 -5.385 -10.011 0.148 1.00 0.00 H new ATOM 0 HA VAL A 82 -4.385 -12.302 1.423 1.00 0.00 H new ATOM 0 HB VAL A 82 -7.168 -11.597 0.518 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -7.905 -13.139 2.300 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -6.986 -13.979 1.028 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -6.212 -13.606 2.587 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -7.445 -10.770 2.828 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -5.725 -11.102 3.145 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -6.188 -9.873 1.944 1.00 0.00 H new ATOM 1240 N LYS A 83 -5.504 -12.786 -1.617 1.00 0.00 N ATOM 1241 CA LYS A 83 -5.510 -13.730 -2.722 1.00 0.00 C ATOM 1242 C LYS A 83 -4.073 -14.153 -3.034 1.00 0.00 C ATOM 1243 O LYS A 83 -3.791 -15.340 -3.187 1.00 0.00 O ATOM 1244 CB LYS A 83 -6.253 -13.144 -3.924 1.00 0.00 C ATOM 1245 CG LYS A 83 -7.730 -12.914 -3.597 1.00 0.00 C ATOM 1246 CD LYS A 83 -8.590 -12.991 -4.860 1.00 0.00 C ATOM 1247 CE LYS A 83 -9.338 -11.678 -5.095 1.00 0.00 C ATOM 1248 NZ LYS A 83 -10.774 -11.834 -4.773 1.00 0.00 N ATOM 0 H LYS A 83 -5.895 -11.870 -1.837 1.00 0.00 H new ATOM 0 HA LYS A 83 -6.056 -14.633 -2.448 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -5.791 -12.201 -4.217 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -6.166 -13.820 -4.775 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -8.067 -13.660 -2.877 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -7.854 -11.938 -3.127 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -7.959 -13.213 -5.721 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -9.304 -13.809 -4.768 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -8.905 -10.891 -4.478 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -9.224 -11.369 -6.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -11.267 -10.933 -4.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -11.188 -12.571 -5.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -10.878 -12.108 -3.775 1.00 0.00 H new ATOM 1262 N GLN A 84 -3.203 -13.158 -3.118 1.00 0.00 N ATOM 1263 CA GLN A 84 -1.802 -13.411 -3.409 1.00 0.00 C ATOM 1264 C GLN A 84 -1.199 -14.336 -2.349 1.00 0.00 C ATOM 1265 O GLN A 84 -0.765 -15.444 -2.661 1.00 0.00 O ATOM 1266 CB GLN A 84 -1.016 -12.102 -3.506 1.00 0.00 C ATOM 1267 CG GLN A 84 -1.782 -11.062 -4.326 1.00 0.00 C ATOM 1268 CD GLN A 84 -0.893 -10.461 -5.417 1.00 0.00 C ATOM 1269 OE1 GLN A 84 -0.394 -11.147 -6.295 1.00 0.00 O ATOM 1270 NE2 GLN A 84 -0.723 -9.146 -5.313 1.00 0.00 N ATOM 0 H GLN A 84 -3.441 -12.174 -2.990 1.00 0.00 H new ATOM 0 HA GLN A 84 -1.736 -13.908 -4.377 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -0.825 -11.713 -2.506 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -0.045 -12.290 -3.965 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -2.658 -11.525 -4.780 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -2.144 -10.271 -3.670 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -1.170 -8.633 -4.553 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -0.146 -8.651 -5.993 1.00 0.00 H new ATOM 1279 N GLY A 85 -1.191 -13.846 -1.118 1.00 0.00 N ATOM 1280 CA GLY A 85 -0.648 -14.614 -0.010 1.00 0.00 C ATOM 1281 C GLY A 85 -0.339 -13.710 1.184 1.00 0.00 C ATOM 1282 O GLY A 85 0.711 -13.842 1.811 1.00 0.00 O ATOM 0 H GLY A 85 -1.552 -12.927 -0.863 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -1.360 -15.384 0.287 1.00 0.00 H new ATOM 0 HA3 GLY A 85 0.260 -15.126 -0.328 1.00 0.00 H new ATOM 1286 N ASN A 86 -1.272 -12.812 1.464 1.00 0.00 N ATOM 1287 CA ASN A 86 -1.112 -11.887 2.572 1.00 0.00 C ATOM 1288 C ASN A 86 0.004 -10.893 2.245 1.00 0.00 C ATOM 1289 O ASN A 86 0.730 -10.454 3.135 1.00 0.00 O ATOM 1290 CB ASN A 86 -0.726 -12.625 3.855 1.00 0.00 C ATOM 1291 CG ASN A 86 -1.643 -13.827 4.093 1.00 0.00 C ATOM 1292 OD1 ASN A 86 -1.440 -14.909 3.566 1.00 0.00 O ATOM 1293 ND2 ASN A 86 -2.659 -13.578 4.914 1.00 0.00 N ATOM 0 H ASN A 86 -2.142 -12.706 0.942 1.00 0.00 H new ATOM 0 HA ASN A 86 -2.062 -11.375 2.722 1.00 0.00 H new ATOM 0 HB2 ASN A 86 0.309 -12.960 3.789 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -0.787 -11.943 4.703 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -3.327 -14.316 5.137 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -2.770 -12.649 5.321 1.00 0.00 H new ATOM 1300 N GLN A 87 0.107 -10.568 0.964 1.00 0.00 N ATOM 1301 CA GLN A 87 1.122 -9.635 0.508 1.00 0.00 C ATOM 1302 C GLN A 87 0.608 -8.834 -0.690 1.00 0.00 C ATOM 1303 O GLN A 87 -0.295 -9.279 -1.397 1.00 0.00 O ATOM 1304 CB GLN A 87 2.422 -10.364 0.163 1.00 0.00 C ATOM 1305 CG GLN A 87 2.243 -11.248 -1.073 1.00 0.00 C ATOM 1306 CD GLN A 87 2.574 -10.476 -2.352 1.00 0.00 C ATOM 1307 OE1 GLN A 87 2.951 -9.315 -2.327 1.00 0.00 O ATOM 1308 NE2 GLN A 87 2.413 -11.182 -3.467 1.00 0.00 N ATOM 0 H GLN A 87 -0.496 -10.935 0.228 1.00 0.00 H new ATOM 0 HA GLN A 87 1.338 -8.940 1.319 1.00 0.00 H new ATOM 0 HB2 GLN A 87 3.214 -9.637 -0.017 1.00 0.00 H new ATOM 0 HB3 GLN A 87 2.736 -10.975 1.009 1.00 0.00 H new ATOM 0 HG2 GLN A 87 2.888 -12.123 -0.995 1.00 0.00 H new ATOM 0 HG3 GLN A 87 1.216 -11.612 -1.119 1.00 0.00 H new ATOM 0 HE21 GLN A 87 2.094 -12.150 -3.416 1.00 0.00 H new ATOM 0 HE22 GLN A 87 2.608 -10.756 -4.373 1.00 0.00 H new ATOM 1317 N LEU A 88 1.205 -7.667 -0.882 1.00 0.00 N ATOM 1318 CA LEU A 88 0.818 -6.800 -1.982 1.00 0.00 C ATOM 1319 C LEU A 88 2.065 -6.119 -2.551 1.00 0.00 C ATOM 1320 O LEU A 88 2.934 -5.680 -1.799 1.00 0.00 O ATOM 1321 CB LEU A 88 -0.269 -5.821 -1.536 1.00 0.00 C ATOM 1322 CG LEU A 88 -0.983 -5.058 -2.654 1.00 0.00 C ATOM 1323 CD1 LEU A 88 -1.546 -6.020 -3.702 1.00 0.00 C ATOM 1324 CD2 LEU A 88 -2.063 -4.135 -2.084 1.00 0.00 C ATOM 0 H LEU A 88 1.954 -7.301 -0.294 1.00 0.00 H new ATOM 0 HA LEU A 88 0.376 -7.383 -2.790 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -1.016 -6.373 -0.965 1.00 0.00 H new ATOM 0 HB3 LEU A 88 0.179 -5.096 -0.857 1.00 0.00 H new ATOM 0 HG LEU A 88 -0.252 -4.426 -3.158 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -2.048 -5.452 -4.485 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -0.732 -6.599 -4.139 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -2.259 -6.696 -3.230 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -2.555 -3.604 -2.899 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -2.799 -4.728 -1.540 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -1.605 -3.415 -1.406 1.00 0.00 H new ATOM 1336 N GLN A 89 2.111 -6.051 -3.873 1.00 0.00 N ATOM 1337 CA GLN A 89 3.237 -5.430 -4.551 1.00 0.00 C ATOM 1338 C GLN A 89 2.937 -3.956 -4.836 1.00 0.00 C ATOM 1339 O GLN A 89 2.207 -3.637 -5.773 1.00 0.00 O ATOM 1340 CB GLN A 89 3.581 -6.178 -5.840 1.00 0.00 C ATOM 1341 CG GLN A 89 4.924 -6.900 -5.713 1.00 0.00 C ATOM 1342 CD GLN A 89 4.936 -8.187 -6.541 1.00 0.00 C ATOM 1343 OE1 GLN A 89 5.779 -8.396 -7.398 1.00 0.00 O ATOM 1344 NE2 GLN A 89 3.955 -9.033 -6.240 1.00 0.00 N ATOM 0 H GLN A 89 1.388 -6.415 -4.493 1.00 0.00 H new ATOM 0 HA GLN A 89 4.106 -5.484 -3.895 1.00 0.00 H new ATOM 0 HB2 GLN A 89 2.796 -6.900 -6.066 1.00 0.00 H new ATOM 0 HB3 GLN A 89 3.619 -5.476 -6.673 1.00 0.00 H new ATOM 0 HG2 GLN A 89 5.727 -6.242 -6.045 1.00 0.00 H new ATOM 0 HG3 GLN A 89 5.117 -7.135 -4.666 1.00 0.00 H new ATOM 0 HE21 GLN A 89 3.282 -8.795 -5.511 1.00 0.00 H new ATOM 0 HE22 GLN A 89 3.875 -9.919 -6.738 1.00 0.00 H new ATOM 1353 N MET A 90 3.517 -3.098 -4.010 1.00 0.00 N ATOM 1354 CA MET A 90 3.322 -1.666 -4.161 1.00 0.00 C ATOM 1355 C MET A 90 4.597 -0.989 -4.667 1.00 0.00 C ATOM 1356 O MET A 90 5.700 -1.482 -4.434 1.00 0.00 O ATOM 1357 CB MET A 90 2.921 -1.060 -2.815 1.00 0.00 C ATOM 1358 CG MET A 90 1.639 -1.704 -2.284 1.00 0.00 C ATOM 1359 SD MET A 90 1.519 -1.461 -0.520 1.00 0.00 S ATOM 1360 CE MET A 90 0.218 -0.240 -0.463 1.00 0.00 C ATOM 0 H MET A 90 4.122 -3.367 -3.234 1.00 0.00 H new ATOM 0 HA MET A 90 2.531 -1.502 -4.893 1.00 0.00 H new ATOM 0 HB2 MET A 90 3.727 -1.199 -2.095 1.00 0.00 H new ATOM 0 HB3 MET A 90 2.774 0.014 -2.925 1.00 0.00 H new ATOM 0 HG2 MET A 90 0.771 -1.268 -2.779 1.00 0.00 H new ATOM 0 HG3 MET A 90 1.635 -2.770 -2.514 1.00 0.00 H new ATOM 0 HE1 MET A 90 0.629 0.715 -0.136 1.00 0.00 H new ATOM 0 HE2 MET A 90 -0.218 -0.126 -1.455 1.00 0.00 H new ATOM 0 HE3 MET A 90 -0.553 -0.562 0.237 1.00 0.00 H new ATOM 1370 N GLN A 91 4.405 0.131 -5.348 1.00 0.00 N ATOM 1371 CA GLN A 91 5.526 0.881 -5.888 1.00 0.00 C ATOM 1372 C GLN A 91 5.387 2.365 -5.545 1.00 0.00 C ATOM 1373 O GLN A 91 4.404 3.003 -5.920 1.00 0.00 O ATOM 1374 CB GLN A 91 5.646 0.677 -7.400 1.00 0.00 C ATOM 1375 CG GLN A 91 6.221 -0.704 -7.723 1.00 0.00 C ATOM 1376 CD GLN A 91 5.973 -1.072 -9.187 1.00 0.00 C ATOM 1377 OE1 GLN A 91 5.918 -0.228 -10.066 1.00 0.00 O ATOM 1378 NE2 GLN A 91 5.826 -2.377 -9.399 1.00 0.00 N ATOM 0 H GLN A 91 3.489 0.537 -5.538 1.00 0.00 H new ATOM 0 HA GLN A 91 6.442 0.506 -5.430 1.00 0.00 H new ATOM 0 HB2 GLN A 91 4.666 0.784 -7.864 1.00 0.00 H new ATOM 0 HB3 GLN A 91 6.286 1.450 -7.825 1.00 0.00 H new ATOM 0 HG2 GLN A 91 7.292 -0.713 -7.518 1.00 0.00 H new ATOM 0 HG3 GLN A 91 5.766 -1.452 -7.074 1.00 0.00 H new ATOM 0 HE21 GLN A 91 5.883 -3.030 -8.618 1.00 0.00 H new ATOM 0 HE22 GLN A 91 5.656 -2.724 -10.343 1.00 0.00 H new ATOM 1387 N VAL A 92 6.385 2.872 -4.835 1.00 0.00 N ATOM 1388 CA VAL A 92 6.386 4.269 -4.437 1.00 0.00 C ATOM 1389 C VAL A 92 6.641 5.145 -5.665 1.00 0.00 C ATOM 1390 O VAL A 92 7.480 4.816 -6.503 1.00 0.00 O ATOM 1391 CB VAL A 92 7.407 4.494 -3.320 1.00 0.00 C ATOM 1392 CG1 VAL A 92 8.025 5.890 -3.416 1.00 0.00 C ATOM 1393 CG2 VAL A 92 6.774 4.268 -1.945 1.00 0.00 C ATOM 0 H VAL A 92 7.198 2.340 -4.525 1.00 0.00 H new ATOM 0 HA VAL A 92 5.414 4.551 -4.033 1.00 0.00 H new ATOM 0 HB VAL A 92 8.207 3.764 -3.445 1.00 0.00 H new ATOM 0 HG11 VAL A 92 8.747 6.024 -2.611 1.00 0.00 H new ATOM 0 HG12 VAL A 92 8.528 6.000 -4.377 1.00 0.00 H new ATOM 0 HG13 VAL A 92 7.241 6.642 -3.329 1.00 0.00 H new ATOM 0 HG21 VAL A 92 7.521 4.434 -1.169 1.00 0.00 H new ATOM 0 HG22 VAL A 92 5.946 4.963 -1.807 1.00 0.00 H new ATOM 0 HG23 VAL A 92 6.403 3.245 -1.879 1.00 0.00 H new ATOM 1403 N HIS A 93 5.902 6.243 -5.734 1.00 0.00 N ATOM 1404 CA HIS A 93 6.038 7.168 -6.846 1.00 0.00 C ATOM 1405 C HIS A 93 5.993 8.606 -6.325 1.00 0.00 C ATOM 1406 O HIS A 93 4.916 9.177 -6.161 1.00 0.00 O ATOM 1407 CB HIS A 93 4.980 6.891 -7.915 1.00 0.00 C ATOM 1408 CG HIS A 93 5.340 5.769 -8.860 1.00 0.00 C ATOM 1409 ND1 HIS A 93 6.349 5.877 -9.801 1.00 0.00 N ATOM 1410 CD2 HIS A 93 4.816 4.518 -8.998 1.00 0.00 C ATOM 1411 CE1 HIS A 93 6.420 4.736 -10.470 1.00 0.00 C ATOM 1412 NE2 HIS A 93 5.469 3.895 -9.971 1.00 0.00 N ATOM 0 H HIS A 93 5.207 6.513 -5.038 1.00 0.00 H new ATOM 0 HA HIS A 93 7.005 7.023 -7.329 1.00 0.00 H new ATOM 0 HB2 HIS A 93 4.037 6.650 -7.424 1.00 0.00 H new ATOM 0 HB3 HIS A 93 4.816 7.800 -8.493 1.00 0.00 H new ATOM 0 HD2 HIS A 93 4.007 4.104 -8.415 1.00 0.00 H new ATOM 0 HE1 HIS A 93 7.110 4.511 -11.270 1.00 0.00 H new ATOM 0 HE2 HIS A 93 5.289 2.944 -10.293 1.00 0.00 H new ATOM 1420 N GLU A 94 7.176 9.150 -6.080 1.00 0.00 N ATOM 1421 CA GLU A 94 7.285 10.510 -5.582 1.00 0.00 C ATOM 1422 C GLU A 94 6.367 11.442 -6.376 1.00 0.00 C ATOM 1423 O GLU A 94 6.139 11.228 -7.565 1.00 0.00 O ATOM 1424 CB GLU A 94 8.735 10.997 -5.630 1.00 0.00 C ATOM 1425 CG GLU A 94 9.269 11.269 -4.222 1.00 0.00 C ATOM 1426 CD GLU A 94 9.276 12.768 -3.918 1.00 0.00 C ATOM 1427 OE1 GLU A 94 8.415 13.468 -4.494 1.00 0.00 O ATOM 1428 OE2 GLU A 94 10.142 13.181 -3.116 1.00 0.00 O ATOM 0 H GLU A 94 8.067 8.673 -6.217 1.00 0.00 H new ATOM 0 HA GLU A 94 6.967 10.521 -4.540 1.00 0.00 H new ATOM 0 HB2 GLU A 94 9.358 10.249 -6.121 1.00 0.00 H new ATOM 0 HB3 GLU A 94 8.798 11.906 -6.228 1.00 0.00 H new ATOM 0 HG2 GLU A 94 8.653 10.749 -3.489 1.00 0.00 H new ATOM 0 HG3 GLU A 94 10.279 10.871 -4.129 1.00 0.00 H new