USER MOD reduce.3.24.130724 H: found=0, std=0, add=640, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 642 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= -1.88 K(o=-1.9,f=-7.6!) USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=-0.022) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= 0.514 K(o=0.51,f=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 26:sc= 0.0305 USER MOD Single : A 27 CYS SG : rot 128:sc= -2.61! USER MOD Single : A 28 SER OG : rot 93:sc= 0.388 USER MOD Single : A 32 ASN :FLIP amide:sc= -0.0194 F(o=-0.94,f=-0.019) USER MOD Single : A 33 HIS : no HE2:sc= -1.33! C(o=-1.3!,f=-5.8!) USER MOD Single : A 35 HIS : no HD1:sc= -2.47 X(o=-2.5,f=-2.7!) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= -0.641 X(o=-0.64,f=-0.9) USER MOD Single : A 47 GLN : amide:sc= -0.0335 K(o=-0.033,f=-1.1) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 SER OG : rot 54:sc= 0.673 USER MOD Single : A 55 CYS SG : rot 83:sc= -1.71! USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 65 HIS :FLIP no HD1:sc= -2.92! C(o=-4!,f=-2.9!) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot -75:sc= -0.901 USER MOD Single : A 73 HIS :FLIP no HE2:sc= -1.37 F(o=-2.7!,f=-1.4) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot 180:sc= -0.316 USER MOD Single : A 86 SER OG : rot -18:sc= 1.7 USER MOD Single : A 89 MET CE :methyl 152:sc= -0.63 (180deg=-1.95!) USER MOD Single : A 91 HIS : no HD1:sc=-0.00551 X(o=-0.0055,f=-0.0055) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot -2:sc= 0.766 USER MOD ----------------------------------------------------------------- ATOM 136 N TYR A 13 -3.381 -10.680 6.878 1.00 0.00 N ATOM 137 CA TYR A 13 -2.762 -11.460 5.813 1.00 0.00 C ATOM 138 C TYR A 13 -3.382 -11.125 4.461 1.00 0.00 C ATOM 139 O TYR A 13 -4.428 -11.664 4.093 1.00 0.00 O ATOM 140 CB TYR A 13 -2.908 -12.956 6.097 1.00 0.00 C ATOM 141 CG TYR A 13 -2.203 -13.405 7.357 1.00 0.00 C ATOM 142 CD1 TYR A 13 -0.817 -13.499 7.406 1.00 0.00 C ATOM 143 CD2 TYR A 13 -2.922 -13.736 8.499 1.00 0.00 C ATOM 144 CE1 TYR A 13 -0.169 -13.909 8.555 1.00 0.00 C ATOM 145 CE2 TYR A 13 -2.282 -14.146 9.653 1.00 0.00 C ATOM 146 CZ TYR A 13 -0.905 -14.231 9.675 1.00 0.00 C ATOM 147 OH TYR A 13 -0.264 -14.640 10.822 1.00 0.00 O ATOM 0 HA TYR A 13 -1.703 -11.205 5.779 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -3.967 -13.200 6.177 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -2.514 -13.518 5.250 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -0.237 -13.247 6.531 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -4.000 -13.672 8.484 1.00 0.00 H new ATOM 0 HE1 TYR A 13 0.909 -13.977 8.576 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -2.856 -14.398 10.532 1.00 0.00 H new ATOM 0 HH TYR A 13 -0.928 -14.827 11.518 1.00 0.00 H new ATOM 157 N LEU A 14 -2.731 -10.232 3.724 1.00 0.00 N ATOM 158 CA LEU A 14 -3.217 -9.824 2.410 1.00 0.00 C ATOM 159 C LEU A 14 -2.412 -10.492 1.300 1.00 0.00 C ATOM 160 O LEU A 14 -1.348 -11.057 1.546 1.00 0.00 O ATOM 161 CB LEU A 14 -3.141 -8.303 2.266 1.00 0.00 C ATOM 162 CG LEU A 14 -4.381 -7.524 2.707 1.00 0.00 C ATOM 163 CD1 LEU A 14 -4.156 -6.028 2.550 1.00 0.00 C ATOM 164 CD2 LEU A 14 -5.600 -7.969 1.912 1.00 0.00 C ATOM 0 H LEU A 14 -1.865 -9.777 4.014 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.256 -10.140 2.320 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.288 -7.946 2.843 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -2.941 -8.067 1.221 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.563 -7.734 3.761 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -5.049 -5.490 2.869 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.309 -5.721 3.164 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.948 -5.799 1.505 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.473 -7.405 2.239 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -5.428 -7.789 0.851 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -5.773 -9.033 2.076 1.00 0.00 H new ATOM 176 N ASN A 15 -2.928 -10.420 0.077 1.00 0.00 N ATOM 177 CA ASN A 15 -2.256 -11.017 -1.072 1.00 0.00 C ATOM 178 C ASN A 15 -1.733 -9.938 -2.016 1.00 0.00 C ATOM 179 O ASN A 15 -2.506 -9.275 -2.708 1.00 0.00 O ATOM 180 CB ASN A 15 -3.212 -11.947 -1.821 1.00 0.00 C ATOM 181 CG ASN A 15 -3.158 -13.371 -1.302 1.00 0.00 C ATOM 182 OD1 ASN A 15 -2.233 -13.747 -0.582 1.00 0.00 O ATOM 183 ND2 ASN A 15 -4.153 -14.171 -1.666 1.00 0.00 N ATOM 0 H ASN A 15 -3.808 -9.955 -0.144 1.00 0.00 H new ATOM 0 HA ASN A 15 -1.409 -11.597 -0.706 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -4.230 -11.568 -1.729 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -2.964 -11.940 -2.882 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -4.171 -15.140 -1.347 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -4.899 -13.817 -2.264 1.00 0.00 H new ATOM 190 N VAL A 16 -0.415 -9.770 -2.041 1.00 0.00 N ATOM 191 CA VAL A 16 0.213 -8.774 -2.901 1.00 0.00 C ATOM 192 C VAL A 16 0.593 -9.374 -4.250 1.00 0.00 C ATOM 193 O VAL A 16 1.457 -10.249 -4.331 1.00 0.00 O ATOM 194 CB VAL A 16 1.471 -8.177 -2.244 1.00 0.00 C ATOM 195 CG1 VAL A 16 2.063 -7.082 -3.119 1.00 0.00 C ATOM 196 CG2 VAL A 16 1.145 -7.644 -0.857 1.00 0.00 C ATOM 0 H VAL A 16 0.239 -10.311 -1.475 1.00 0.00 H new ATOM 0 HA VAL A 16 -0.519 -7.981 -3.053 1.00 0.00 H new ATOM 0 HB VAL A 16 2.215 -8.967 -2.140 1.00 0.00 H new ATOM 0 HG11 VAL A 16 2.951 -6.672 -2.638 1.00 0.00 H new ATOM 0 HG12 VAL A 16 2.335 -7.498 -4.089 1.00 0.00 H new ATOM 0 HG13 VAL A 16 1.327 -6.290 -3.258 1.00 0.00 H new ATOM 0 HG21 VAL A 16 2.045 -7.226 -0.407 1.00 0.00 H new ATOM 0 HG22 VAL A 16 0.384 -6.868 -0.935 1.00 0.00 H new ATOM 0 HG23 VAL A 16 0.772 -8.456 -0.234 1.00 0.00 H new ATOM 206 N LEU A 17 -0.056 -8.899 -5.307 1.00 0.00 N ATOM 207 CA LEU A 17 0.215 -9.388 -6.655 1.00 0.00 C ATOM 208 C LEU A 17 1.716 -9.458 -6.918 1.00 0.00 C ATOM 209 O LEU A 17 2.430 -8.468 -6.762 1.00 0.00 O ATOM 210 CB LEU A 17 -0.455 -8.484 -7.691 1.00 0.00 C ATOM 211 CG LEU A 17 -0.580 -9.059 -9.102 1.00 0.00 C ATOM 212 CD1 LEU A 17 -1.510 -10.263 -9.108 1.00 0.00 C ATOM 213 CD2 LEU A 17 -1.077 -7.995 -10.069 1.00 0.00 C ATOM 0 H LEU A 17 -0.774 -8.176 -5.257 1.00 0.00 H new ATOM 0 HA LEU A 17 -0.197 -10.394 -6.740 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -1.453 -8.232 -7.333 1.00 0.00 H new ATOM 0 HB3 LEU A 17 0.107 -7.552 -7.748 1.00 0.00 H new ATOM 0 HG LEU A 17 0.407 -9.387 -9.429 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.587 -10.659 -10.121 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -1.113 -11.033 -8.447 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -2.498 -9.961 -8.761 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -1.160 -8.422 -11.068 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -2.054 -7.637 -9.745 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -0.373 -7.163 -10.087 1.00 0.00 H new ATOM 225 N VAL A 18 2.187 -10.634 -7.320 1.00 0.00 N ATOM 226 CA VAL A 18 3.603 -10.832 -7.608 1.00 0.00 C ATOM 227 C VAL A 18 3.796 -11.602 -8.910 1.00 0.00 C ATOM 228 O VAL A 18 3.398 -12.760 -9.022 1.00 0.00 O ATOM 229 CB VAL A 18 4.307 -11.589 -6.467 1.00 0.00 C ATOM 230 CG1 VAL A 18 5.764 -11.851 -6.819 1.00 0.00 C ATOM 231 CG2 VAL A 18 4.197 -10.811 -5.164 1.00 0.00 C ATOM 0 H VAL A 18 1.609 -11.464 -7.454 1.00 0.00 H new ATOM 0 HA VAL A 18 4.048 -9.842 -7.705 1.00 0.00 H new ATOM 0 HB VAL A 18 3.812 -12.551 -6.333 1.00 0.00 H new ATOM 0 HG11 VAL A 18 6.245 -12.387 -6.001 1.00 0.00 H new ATOM 0 HG12 VAL A 18 5.817 -12.452 -7.727 1.00 0.00 H new ATOM 0 HG13 VAL A 18 6.275 -10.902 -6.982 1.00 0.00 H new ATOM 0 HG21 VAL A 18 4.700 -11.361 -4.368 1.00 0.00 H new ATOM 0 HG22 VAL A 18 4.666 -9.834 -5.283 1.00 0.00 H new ATOM 0 HG23 VAL A 18 3.146 -10.680 -4.906 1.00 0.00 H new ATOM 241 N ASN A 19 4.410 -10.949 -9.891 1.00 0.00 N ATOM 242 CA ASN A 19 4.657 -11.573 -11.186 1.00 0.00 C ATOM 243 C ASN A 19 3.406 -12.282 -11.695 1.00 0.00 C ATOM 244 O ASN A 19 3.464 -13.436 -12.120 1.00 0.00 O ATOM 245 CB ASN A 19 5.815 -12.567 -11.085 1.00 0.00 C ATOM 246 CG ASN A 19 7.158 -11.921 -11.363 1.00 0.00 C ATOM 247 OD1 ASN A 19 7.410 -11.436 -12.467 1.00 0.00 O ATOM 248 ND2 ASN A 19 8.029 -11.911 -10.361 1.00 0.00 N ATOM 0 H ASN A 19 4.745 -9.989 -9.814 1.00 0.00 H new ATOM 0 HA ASN A 19 4.922 -10.788 -11.894 1.00 0.00 H new ATOM 0 HB2 ASN A 19 5.826 -13.007 -10.088 1.00 0.00 H new ATOM 0 HB3 ASN A 19 5.654 -13.381 -11.791 1.00 0.00 H new ATOM 0 HD21 ASN A 19 8.949 -11.490 -10.489 1.00 0.00 H new ATOM 0 HD22 ASN A 19 7.778 -12.324 -9.463 1.00 0.00 H new ATOM 255 N SER A 20 2.276 -11.583 -11.650 1.00 0.00 N ATOM 256 CA SER A 20 1.010 -12.147 -12.104 1.00 0.00 C ATOM 257 C SER A 20 0.621 -13.357 -11.260 1.00 0.00 C ATOM 258 O SER A 20 0.047 -14.321 -11.766 1.00 0.00 O ATOM 259 CB SER A 20 1.104 -12.548 -13.577 1.00 0.00 C ATOM 260 OG SER A 20 1.178 -11.405 -14.412 1.00 0.00 O ATOM 0 H SER A 20 2.211 -10.626 -11.304 1.00 0.00 H new ATOM 0 HA SER A 20 0.240 -11.384 -11.991 1.00 0.00 H new ATOM 0 HB2 SER A 20 1.983 -13.173 -13.732 1.00 0.00 H new ATOM 0 HB3 SER A 20 0.235 -13.147 -13.851 1.00 0.00 H new ATOM 0 HG SER A 20 1.239 -11.687 -15.348 1.00 0.00 H new ATOM 266 N GLN A 21 0.938 -13.299 -9.970 1.00 0.00 N ATOM 267 CA GLN A 21 0.623 -14.390 -9.056 1.00 0.00 C ATOM 268 C GLN A 21 0.302 -13.857 -7.663 1.00 0.00 C ATOM 269 O GLN A 21 1.122 -13.182 -7.043 1.00 0.00 O ATOM 270 CB GLN A 21 1.791 -15.375 -8.982 1.00 0.00 C ATOM 271 CG GLN A 21 2.102 -16.050 -10.308 1.00 0.00 C ATOM 272 CD GLN A 21 3.508 -16.616 -10.358 1.00 0.00 C ATOM 273 OE1 GLN A 21 3.858 -17.510 -9.587 1.00 0.00 O ATOM 274 NE2 GLN A 21 4.323 -16.097 -11.270 1.00 0.00 N ATOM 0 H GLN A 21 1.413 -12.508 -9.535 1.00 0.00 H new ATOM 0 HA GLN A 21 -0.256 -14.909 -9.438 1.00 0.00 H new ATOM 0 HB2 GLN A 21 2.679 -14.847 -8.635 1.00 0.00 H new ATOM 0 HB3 GLN A 21 1.564 -16.140 -8.239 1.00 0.00 H new ATOM 0 HG2 GLN A 21 1.385 -16.853 -10.480 1.00 0.00 H new ATOM 0 HG3 GLN A 21 1.975 -15.330 -11.117 1.00 0.00 H new ATOM 0 HE21 GLN A 21 3.991 -15.357 -11.889 1.00 0.00 H new ATOM 0 HE22 GLN A 21 5.281 -16.438 -11.351 1.00 0.00 H new ATOM 283 N TRP A 22 -0.896 -14.166 -7.179 1.00 0.00 N ATOM 284 CA TRP A 22 -1.325 -13.718 -5.859 1.00 0.00 C ATOM 285 C TRP A 22 -0.685 -14.562 -4.763 1.00 0.00 C ATOM 286 O TRP A 22 -0.908 -15.770 -4.686 1.00 0.00 O ATOM 287 CB TRP A 22 -2.849 -13.783 -5.747 1.00 0.00 C ATOM 288 CG TRP A 22 -3.555 -12.862 -6.695 1.00 0.00 C ATOM 289 CD1 TRP A 22 -4.101 -13.191 -7.903 1.00 0.00 C ATOM 290 CD2 TRP A 22 -3.788 -11.461 -6.515 1.00 0.00 C ATOM 291 NE1 TRP A 22 -4.660 -12.079 -8.484 1.00 0.00 N ATOM 292 CE2 TRP A 22 -4.483 -11.005 -7.652 1.00 0.00 C ATOM 293 CE3 TRP A 22 -3.481 -10.548 -5.503 1.00 0.00 C ATOM 294 CZ2 TRP A 22 -4.871 -9.676 -7.804 1.00 0.00 C ATOM 295 CZ3 TRP A 22 -3.867 -9.230 -5.654 1.00 0.00 C ATOM 296 CH2 TRP A 22 -4.557 -8.804 -6.797 1.00 0.00 C ATOM 0 H TRP A 22 -1.587 -14.724 -7.680 1.00 0.00 H new ATOM 0 HA TRP A 22 -1.002 -12.685 -5.730 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -3.176 -14.806 -5.934 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -3.142 -13.536 -4.726 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -4.094 -14.180 -8.337 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -5.131 -12.056 -9.389 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -2.951 -10.867 -4.618 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -5.401 -9.345 -8.685 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -3.633 -8.516 -4.878 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -4.847 -7.767 -6.885 1.00 0.00 H new ATOM 307 N LYS A 23 0.112 -13.919 -3.916 1.00 0.00 N ATOM 308 CA LYS A 23 0.784 -14.610 -2.822 1.00 0.00 C ATOM 309 C LYS A 23 0.532 -13.902 -1.495 1.00 0.00 C ATOM 310 O LYS A 23 0.362 -12.684 -1.453 1.00 0.00 O ATOM 311 CB LYS A 23 2.288 -14.693 -3.091 1.00 0.00 C ATOM 312 CG LYS A 23 2.635 -15.382 -4.399 1.00 0.00 C ATOM 313 CD LYS A 23 4.106 -15.759 -4.458 1.00 0.00 C ATOM 314 CE LYS A 23 4.649 -15.665 -5.876 1.00 0.00 C ATOM 315 NZ LYS A 23 6.016 -16.247 -5.986 1.00 0.00 N ATOM 0 H LYS A 23 0.308 -12.919 -3.966 1.00 0.00 H new ATOM 0 HA LYS A 23 0.377 -15.619 -2.758 1.00 0.00 H new ATOM 0 HB2 LYS A 23 2.703 -13.685 -3.100 1.00 0.00 H new ATOM 0 HB3 LYS A 23 2.766 -15.228 -2.270 1.00 0.00 H new ATOM 0 HG2 LYS A 23 2.024 -16.278 -4.513 1.00 0.00 H new ATOM 0 HG3 LYS A 23 2.394 -14.723 -5.233 1.00 0.00 H new ATOM 0 HD2 LYS A 23 4.678 -15.101 -3.804 1.00 0.00 H new ATOM 0 HD3 LYS A 23 4.238 -16.774 -4.083 1.00 0.00 H new ATOM 0 HE2 LYS A 23 3.977 -16.186 -6.558 1.00 0.00 H new ATOM 0 HE3 LYS A 23 4.673 -14.621 -6.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 6.351 -16.164 -6.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 6.664 -15.734 -5.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 5.989 -17.250 -5.713 1.00 0.00 H new ATOM 329 N SER A 24 0.511 -14.673 -0.412 1.00 0.00 N ATOM 330 CA SER A 24 0.278 -14.119 0.916 1.00 0.00 C ATOM 331 C SER A 24 1.462 -13.269 1.366 1.00 0.00 C ATOM 332 O SER A 24 2.617 -13.678 1.242 1.00 0.00 O ATOM 333 CB SER A 24 0.031 -15.243 1.924 1.00 0.00 C ATOM 334 OG SER A 24 1.189 -16.043 2.090 1.00 0.00 O ATOM 0 H SER A 24 0.653 -15.683 -0.429 1.00 0.00 H new ATOM 0 HA SER A 24 -0.606 -13.483 0.867 1.00 0.00 H new ATOM 0 HB2 SER A 24 -0.261 -14.817 2.884 1.00 0.00 H new ATOM 0 HB3 SER A 24 -0.798 -15.864 1.585 1.00 0.00 H new ATOM 0 HG SER A 24 1.986 -15.513 1.880 1.00 0.00 H new ATOM 340 N ARG A 25 1.166 -12.083 1.888 1.00 0.00 N ATOM 341 CA ARG A 25 2.206 -11.173 2.355 1.00 0.00 C ATOM 342 C ARG A 25 1.780 -10.479 3.646 1.00 0.00 C ATOM 343 O ARG A 25 0.600 -10.198 3.851 1.00 0.00 O ATOM 344 CB ARG A 25 2.520 -10.130 1.281 1.00 0.00 C ATOM 345 CG ARG A 25 3.525 -9.081 1.728 1.00 0.00 C ATOM 346 CD ARG A 25 4.953 -9.528 1.458 1.00 0.00 C ATOM 347 NE ARG A 25 5.226 -9.657 0.029 1.00 0.00 N ATOM 348 CZ ARG A 25 6.097 -10.522 -0.478 1.00 0.00 C ATOM 349 NH1 ARG A 25 6.776 -11.331 0.323 1.00 0.00 N ATOM 350 NH2 ARG A 25 6.290 -10.580 -1.790 1.00 0.00 N ATOM 0 H ARG A 25 0.215 -11.730 1.998 1.00 0.00 H new ATOM 0 HA ARG A 25 3.104 -11.758 2.556 1.00 0.00 H new ATOM 0 HB2 ARG A 25 2.905 -10.636 0.396 1.00 0.00 H new ATOM 0 HB3 ARG A 25 1.595 -9.633 0.987 1.00 0.00 H new ATOM 0 HG2 ARG A 25 3.331 -8.144 1.206 1.00 0.00 H new ATOM 0 HG3 ARG A 25 3.399 -8.885 2.793 1.00 0.00 H new ATOM 0 HD2 ARG A 25 5.646 -8.810 1.896 1.00 0.00 H new ATOM 0 HD3 ARG A 25 5.132 -10.485 1.949 1.00 0.00 H new ATOM 0 HE ARG A 25 4.720 -9.049 -0.615 1.00 0.00 H new ATOM 0 HH11 ARG A 25 6.630 -11.290 1.332 1.00 0.00 H new ATOM 0 HH12 ARG A 25 7.444 -11.994 -0.069 1.00 0.00 H new ATOM 0 HH21 ARG A 25 5.769 -9.960 -2.410 1.00 0.00 H new ATOM 0 HH22 ARG A 25 6.959 -11.245 -2.178 1.00 0.00 H new ATOM 364 N TRP A 26 2.750 -10.206 4.511 1.00 0.00 N ATOM 365 CA TRP A 26 2.476 -9.545 5.782 1.00 0.00 C ATOM 366 C TRP A 26 2.306 -8.042 5.588 1.00 0.00 C ATOM 367 O TRP A 26 3.285 -7.296 5.560 1.00 0.00 O ATOM 368 CB TRP A 26 3.605 -9.819 6.777 1.00 0.00 C ATOM 369 CG TRP A 26 3.288 -9.375 8.173 1.00 0.00 C ATOM 370 CD1 TRP A 26 3.295 -8.095 8.647 1.00 0.00 C ATOM 371 CD2 TRP A 26 2.919 -10.212 9.274 1.00 0.00 C ATOM 372 NE1 TRP A 26 2.952 -8.085 9.978 1.00 0.00 N ATOM 373 CE2 TRP A 26 2.716 -9.371 10.386 1.00 0.00 C ATOM 374 CE3 TRP A 26 2.738 -11.589 9.430 1.00 0.00 C ATOM 375 CZ2 TRP A 26 2.343 -9.864 11.634 1.00 0.00 C ATOM 376 CZ3 TRP A 26 2.368 -12.076 10.669 1.00 0.00 C ATOM 377 CH2 TRP A 26 2.173 -11.216 11.757 1.00 0.00 C ATOM 0 H TRP A 26 3.733 -10.432 4.356 1.00 0.00 H new ATOM 0 HA TRP A 26 1.545 -9.949 6.180 1.00 0.00 H new ATOM 0 HB2 TRP A 26 3.822 -10.887 6.784 1.00 0.00 H new ATOM 0 HB3 TRP A 26 4.509 -9.312 6.439 1.00 0.00 H new ATOM 0 HD1 TRP A 26 3.535 -7.219 8.062 1.00 0.00 H new ATOM 0 HE1 TRP A 26 2.884 -7.255 10.566 1.00 0.00 H new ATOM 0 HE3 TRP A 26 2.885 -12.260 8.597 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 2.193 -9.203 12.475 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 2.227 -13.139 10.801 1.00 0.00 H new ATOM 0 HH2 TRP A 26 1.883 -11.628 12.712 1.00 0.00 H new ATOM 388 N CYS A 27 1.058 -7.605 5.457 1.00 0.00 N ATOM 389 CA CYS A 27 0.760 -6.190 5.265 1.00 0.00 C ATOM 390 C CYS A 27 0.659 -5.470 6.606 1.00 0.00 C ATOM 391 O CYS A 27 -0.035 -5.924 7.515 1.00 0.00 O ATOM 392 CB CYS A 27 -0.543 -6.023 4.483 1.00 0.00 C ATOM 393 SG CYS A 27 -2.025 -6.486 5.409 1.00 0.00 S ATOM 0 H CYS A 27 0.237 -8.210 5.480 1.00 0.00 H new ATOM 0 HA CYS A 27 1.576 -5.746 4.695 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -0.634 -4.983 4.168 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -0.490 -6.627 3.577 1.00 0.00 H new ATOM 0 HG CYS A 27 -2.888 -5.515 5.361 1.00 0.00 H new ATOM 399 N SER A 28 1.356 -4.344 6.721 1.00 0.00 N ATOM 400 CA SER A 28 1.349 -3.563 7.953 1.00 0.00 C ATOM 401 C SER A 28 1.256 -2.071 7.649 1.00 0.00 C ATOM 402 O SER A 28 2.187 -1.477 7.105 1.00 0.00 O ATOM 403 CB SER A 28 2.609 -3.851 8.771 1.00 0.00 C ATOM 404 OG SER A 28 2.422 -4.973 9.617 1.00 0.00 O ATOM 0 H SER A 28 1.933 -3.952 5.976 1.00 0.00 H new ATOM 0 HA SER A 28 0.473 -3.853 8.534 1.00 0.00 H new ATOM 0 HB2 SER A 28 3.448 -4.033 8.100 1.00 0.00 H new ATOM 0 HB3 SER A 28 2.865 -2.978 9.371 1.00 0.00 H new ATOM 0 HG SER A 28 2.733 -5.783 9.160 1.00 0.00 H new ATOM 410 N VAL A 29 0.125 -1.470 8.005 1.00 0.00 N ATOM 411 CA VAL A 29 -0.091 -0.047 7.773 1.00 0.00 C ATOM 412 C VAL A 29 0.566 0.794 8.862 1.00 0.00 C ATOM 413 O VAL A 29 0.568 0.417 10.034 1.00 0.00 O ATOM 414 CB VAL A 29 -1.592 0.290 7.714 1.00 0.00 C ATOM 415 CG1 VAL A 29 -1.800 1.796 7.661 1.00 0.00 C ATOM 416 CG2 VAL A 29 -2.244 -0.388 6.518 1.00 0.00 C ATOM 0 H VAL A 29 -0.656 -1.947 8.455 1.00 0.00 H new ATOM 0 HA VAL A 29 0.365 0.190 6.812 1.00 0.00 H new ATOM 0 HB VAL A 29 -2.066 -0.087 8.620 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -2.867 2.015 7.620 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -1.370 2.254 8.552 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -1.312 2.200 6.774 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -3.305 -0.139 6.492 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -1.768 -0.043 5.600 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.127 -1.468 6.604 1.00 0.00 H new ATOM 426 N ARG A 30 1.122 1.934 8.467 1.00 0.00 N ATOM 427 CA ARG A 30 1.782 2.829 9.410 1.00 0.00 C ATOM 428 C ARG A 30 1.530 4.288 9.043 1.00 0.00 C ATOM 429 O ARG A 30 0.773 4.584 8.118 1.00 0.00 O ATOM 430 CB ARG A 30 3.287 2.552 9.440 1.00 0.00 C ATOM 431 CG ARG A 30 3.888 2.607 10.835 1.00 0.00 C ATOM 432 CD ARG A 30 5.386 2.862 10.786 1.00 0.00 C ATOM 433 NE ARG A 30 5.857 3.585 11.964 1.00 0.00 N ATOM 434 CZ ARG A 30 6.135 3.000 13.123 1.00 0.00 C ATOM 435 NH1 ARG A 30 5.990 1.689 13.259 1.00 0.00 N ATOM 436 NH2 ARG A 30 6.559 3.726 14.150 1.00 0.00 N ATOM 0 H ARG A 30 1.129 2.260 7.501 1.00 0.00 H new ATOM 0 HA ARG A 30 1.365 2.645 10.400 1.00 0.00 H new ATOM 0 HB2 ARG A 30 3.475 1.568 9.011 1.00 0.00 H new ATOM 0 HB3 ARG A 30 3.795 3.279 8.806 1.00 0.00 H new ATOM 0 HG2 ARG A 30 3.402 3.395 11.411 1.00 0.00 H new ATOM 0 HG3 ARG A 30 3.694 1.668 11.353 1.00 0.00 H new ATOM 0 HD2 ARG A 30 5.913 1.911 10.710 1.00 0.00 H new ATOM 0 HD3 ARG A 30 5.627 3.433 9.890 1.00 0.00 H new ATOM 0 HE ARG A 30 5.979 4.595 11.893 1.00 0.00 H new ATOM 0 HH11 ARG A 30 5.664 1.128 12.472 1.00 0.00 H new ATOM 0 HH12 ARG A 30 6.204 1.242 14.150 1.00 0.00 H new ATOM 0 HH21 ARG A 30 6.672 4.735 14.049 1.00 0.00 H new ATOM 0 HH22 ARG A 30 6.772 3.275 15.040 1.00 0.00 H new ATOM 450 N ASP A 31 2.168 5.195 9.774 1.00 0.00 N ATOM 451 CA ASP A 31 2.014 6.624 9.525 1.00 0.00 C ATOM 452 C ASP A 31 1.875 6.904 8.032 1.00 0.00 C ATOM 453 O ASP A 31 2.869 6.989 7.312 1.00 0.00 O ATOM 454 CB ASP A 31 3.207 7.394 10.093 1.00 0.00 C ATOM 455 CG ASP A 31 4.481 6.573 10.089 1.00 0.00 C ATOM 456 OD1 ASP A 31 4.720 5.855 9.096 1.00 0.00 O ATOM 457 OD2 ASP A 31 5.239 6.648 11.079 1.00 0.00 O ATOM 0 H ASP A 31 2.797 4.966 10.544 1.00 0.00 H new ATOM 0 HA ASP A 31 1.105 6.959 10.025 1.00 0.00 H new ATOM 0 HB2 ASP A 31 3.361 8.301 9.509 1.00 0.00 H new ATOM 0 HB3 ASP A 31 2.982 7.706 11.113 1.00 0.00 H new ATOM 462 N ASN A 32 0.636 7.045 7.574 1.00 0.00 N ATOM 463 CA ASN A 32 0.368 7.314 6.166 1.00 0.00 C ATOM 464 C ASN A 32 1.371 6.589 5.273 1.00 0.00 C ATOM 465 O ASN A 32 1.806 7.121 4.251 1.00 0.00 O ATOM 466 CB ASN A 32 0.419 8.818 5.893 1.00 0.00 C ATOM 467 CG ASN A 32 -0.545 9.597 6.768 1.00 0.00 C ATOM 468 OD1 ASN A 32 -1.838 9.383 6.559 1.00 0.00 O flip ATOM 469 ND2 ASN A 32 -0.130 10.383 7.620 1.00 0.00 N flip ATOM 0 H ASN A 32 -0.198 6.978 8.157 1.00 0.00 H new ATOM 0 HA ASN A 32 -0.631 6.944 5.935 1.00 0.00 H new ATOM 0 HB2 ASN A 32 1.433 9.181 6.061 1.00 0.00 H new ATOM 0 HB3 ASN A 32 0.184 9.003 4.845 1.00 0.00 H new ATOM 0 HD21 ASN A 32 0.873 10.516 7.746 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -0.790 10.901 8.200 1.00 0.00 H new ATOM 476 N HIS A 33 1.733 5.372 5.666 1.00 0.00 N ATOM 477 CA HIS A 33 2.684 4.574 4.900 1.00 0.00 C ATOM 478 C HIS A 33 2.386 3.085 5.048 1.00 0.00 C ATOM 479 O HIS A 33 2.200 2.585 6.159 1.00 0.00 O ATOM 480 CB HIS A 33 4.113 4.867 5.358 1.00 0.00 C ATOM 481 CG HIS A 33 4.701 6.096 4.734 1.00 0.00 C ATOM 482 ND1 HIS A 33 4.527 7.361 5.255 1.00 0.00 N ATOM 483 CD2 HIS A 33 5.466 6.247 3.628 1.00 0.00 C ATOM 484 CE1 HIS A 33 5.158 8.238 4.495 1.00 0.00 C ATOM 485 NE2 HIS A 33 5.737 7.588 3.501 1.00 0.00 N ATOM 0 H HIS A 33 1.383 4.917 6.509 1.00 0.00 H new ATOM 0 HA HIS A 33 2.584 4.845 3.849 1.00 0.00 H new ATOM 0 HB2 HIS A 33 4.123 4.980 6.442 1.00 0.00 H new ATOM 0 HB3 HIS A 33 4.745 4.011 5.121 1.00 0.00 H new ATOM 0 HD1 HIS A 33 3.994 7.584 6.096 1.00 0.00 H new ATOM 0 HD2 HIS A 33 5.801 5.460 2.968 1.00 0.00 H new ATOM 0 HE1 HIS A 33 5.194 9.305 4.658 1.00 0.00 H new ATOM 494 N LEU A 34 2.341 2.381 3.922 1.00 0.00 N ATOM 495 CA LEU A 34 2.064 0.948 3.926 1.00 0.00 C ATOM 496 C LEU A 34 3.359 0.144 3.878 1.00 0.00 C ATOM 497 O LEU A 34 4.104 0.204 2.900 1.00 0.00 O ATOM 498 CB LEU A 34 1.176 0.577 2.738 1.00 0.00 C ATOM 499 CG LEU A 34 0.996 -0.918 2.475 1.00 0.00 C ATOM 500 CD1 LEU A 34 0.853 -1.677 3.785 1.00 0.00 C ATOM 501 CD2 LEU A 34 -0.211 -1.161 1.581 1.00 0.00 C ATOM 0 H LEU A 34 2.493 2.779 2.995 1.00 0.00 H new ATOM 0 HA LEU A 34 1.541 0.706 4.851 1.00 0.00 H new ATOM 0 HB2 LEU A 34 0.192 1.019 2.894 1.00 0.00 H new ATOM 0 HB3 LEU A 34 1.593 1.035 1.841 1.00 0.00 H new ATOM 0 HG LEU A 34 1.884 -1.286 1.961 1.00 0.00 H new ATOM 0 HD11 LEU A 34 0.726 -2.740 3.578 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.747 -1.530 4.390 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.017 -1.306 4.327 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -0.324 -2.231 1.405 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -1.108 -0.777 2.068 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.068 -0.649 0.629 1.00 0.00 H new ATOM 513 N HIS A 35 3.620 -0.611 4.941 1.00 0.00 N ATOM 514 CA HIS A 35 4.824 -1.431 5.019 1.00 0.00 C ATOM 515 C HIS A 35 4.516 -2.884 4.673 1.00 0.00 C ATOM 516 O HIS A 35 3.379 -3.338 4.810 1.00 0.00 O ATOM 517 CB HIS A 35 5.434 -1.346 6.419 1.00 0.00 C ATOM 518 CG HIS A 35 5.951 0.016 6.765 1.00 0.00 C ATOM 519 ND1 HIS A 35 7.294 0.298 6.902 1.00 0.00 N ATOM 520 CD2 HIS A 35 5.298 1.177 7.002 1.00 0.00 C ATOM 521 CE1 HIS A 35 7.444 1.574 7.210 1.00 0.00 C ATOM 522 NE2 HIS A 35 6.248 2.130 7.276 1.00 0.00 N ATOM 0 H HIS A 35 3.014 -0.672 5.759 1.00 0.00 H new ATOM 0 HA HIS A 35 5.542 -1.048 4.294 1.00 0.00 H new ATOM 0 HB2 HIS A 35 4.682 -1.637 7.152 1.00 0.00 H new ATOM 0 HB3 HIS A 35 6.249 -2.065 6.495 1.00 0.00 H new ATOM 0 HD2 HIS A 35 4.229 1.326 6.980 1.00 0.00 H new ATOM 0 HE1 HIS A 35 8.385 2.077 7.379 1.00 0.00 H new ATOM 0 HE2 HIS A 35 6.060 3.108 7.495 1.00 0.00 H new ATOM 531 N PHE A 36 5.534 -3.609 4.221 1.00 0.00 N ATOM 532 CA PHE A 36 5.371 -5.011 3.853 1.00 0.00 C ATOM 533 C PHE A 36 6.423 -5.879 4.538 1.00 0.00 C ATOM 534 O PHE A 36 7.544 -5.434 4.786 1.00 0.00 O ATOM 535 CB PHE A 36 5.466 -5.176 2.335 1.00 0.00 C ATOM 536 CG PHE A 36 4.437 -4.384 1.580 1.00 0.00 C ATOM 537 CD1 PHE A 36 4.608 -3.026 1.366 1.00 0.00 C ATOM 538 CD2 PHE A 36 3.297 -4.998 1.086 1.00 0.00 C ATOM 539 CE1 PHE A 36 3.663 -2.295 0.671 1.00 0.00 C ATOM 540 CE2 PHE A 36 2.349 -4.272 0.391 1.00 0.00 C ATOM 541 CZ PHE A 36 2.531 -2.918 0.184 1.00 0.00 C ATOM 0 H PHE A 36 6.481 -3.249 4.101 1.00 0.00 H new ATOM 0 HA PHE A 36 4.385 -5.336 4.186 1.00 0.00 H new ATOM 0 HB2 PHE A 36 6.460 -4.872 2.006 1.00 0.00 H new ATOM 0 HB3 PHE A 36 5.356 -6.231 2.085 1.00 0.00 H new ATOM 0 HD1 PHE A 36 5.490 -2.533 1.747 1.00 0.00 H new ATOM 0 HD2 PHE A 36 3.148 -6.056 1.246 1.00 0.00 H new ATOM 0 HE1 PHE A 36 3.810 -1.237 0.509 1.00 0.00 H new ATOM 0 HE2 PHE A 36 1.466 -4.763 0.010 1.00 0.00 H new ATOM 0 HZ PHE A 36 1.790 -2.349 -0.357 1.00 0.00 H new ATOM 551 N TYR A 37 6.053 -7.118 4.840 1.00 0.00 N ATOM 552 CA TYR A 37 6.963 -8.048 5.498 1.00 0.00 C ATOM 553 C TYR A 37 6.660 -9.487 5.090 1.00 0.00 C ATOM 554 O TYR A 37 5.646 -9.761 4.449 1.00 0.00 O ATOM 555 CB TYR A 37 6.861 -7.905 7.017 1.00 0.00 C ATOM 556 CG TYR A 37 7.093 -6.494 7.509 1.00 0.00 C ATOM 557 CD1 TYR A 37 6.049 -5.580 7.576 1.00 0.00 C ATOM 558 CD2 TYR A 37 8.356 -6.076 7.909 1.00 0.00 C ATOM 559 CE1 TYR A 37 6.257 -4.290 8.024 1.00 0.00 C ATOM 560 CE2 TYR A 37 8.573 -4.788 8.359 1.00 0.00 C ATOM 561 CZ TYR A 37 7.520 -3.898 8.415 1.00 0.00 C ATOM 562 OH TYR A 37 7.731 -2.615 8.863 1.00 0.00 O ATOM 0 H TYR A 37 5.129 -7.502 4.640 1.00 0.00 H new ATOM 0 HA TYR A 37 7.979 -7.806 5.184 1.00 0.00 H new ATOM 0 HB2 TYR A 37 5.874 -8.235 7.339 1.00 0.00 H new ATOM 0 HB3 TYR A 37 7.588 -8.568 7.486 1.00 0.00 H new ATOM 0 HD1 TYR A 37 5.058 -5.883 7.273 1.00 0.00 H new ATOM 0 HD2 TYR A 37 9.183 -6.770 7.867 1.00 0.00 H new ATOM 0 HE1 TYR A 37 5.434 -3.592 8.068 1.00 0.00 H new ATOM 0 HE2 TYR A 37 9.562 -4.479 8.665 1.00 0.00 H new ATOM 0 HH TYR A 37 8.675 -2.502 9.100 1.00 0.00 H new ATOM 572 N GLN A 38 7.547 -10.401 5.468 1.00 0.00 N ATOM 573 CA GLN A 38 7.375 -11.812 5.143 1.00 0.00 C ATOM 574 C GLN A 38 7.099 -12.631 6.399 1.00 0.00 C ATOM 575 O GLN A 38 6.123 -13.379 6.462 1.00 0.00 O ATOM 576 CB GLN A 38 8.619 -12.349 4.433 1.00 0.00 C ATOM 577 CG GLN A 38 8.969 -11.591 3.162 1.00 0.00 C ATOM 578 CD GLN A 38 10.025 -12.297 2.334 1.00 0.00 C ATOM 579 OE1 GLN A 38 10.575 -13.318 2.748 1.00 0.00 O ATOM 580 NE2 GLN A 38 10.315 -11.754 1.158 1.00 0.00 N ATOM 0 H GLN A 38 8.392 -10.190 5.999 1.00 0.00 H new ATOM 0 HA GLN A 38 6.517 -11.903 4.477 1.00 0.00 H new ATOM 0 HB2 GLN A 38 9.466 -12.304 5.118 1.00 0.00 H new ATOM 0 HB3 GLN A 38 8.462 -13.400 4.188 1.00 0.00 H new ATOM 0 HG2 GLN A 38 8.069 -11.461 2.561 1.00 0.00 H new ATOM 0 HG3 GLN A 38 9.324 -10.594 3.424 1.00 0.00 H new ATOM 0 HE21 GLN A 38 9.834 -10.907 0.855 1.00 0.00 H new ATOM 0 HE22 GLN A 38 11.019 -12.184 0.557 1.00 0.00 H new ATOM 712 N ALA A 46 9.752 -7.915 3.162 1.00 0.00 N ATOM 713 CA ALA A 46 9.597 -8.299 1.764 1.00 0.00 C ATOM 714 C ALA A 46 10.132 -7.215 0.835 1.00 0.00 C ATOM 715 O ALA A 46 10.697 -7.511 -0.218 1.00 0.00 O ATOM 716 CB ALA A 46 8.136 -8.588 1.455 1.00 0.00 C ATOM 0 HA ALA A 46 10.179 -9.205 1.595 1.00 0.00 H new ATOM 0 HB1 ALA A 46 8.035 -8.873 0.408 1.00 0.00 H new ATOM 0 HB2 ALA A 46 7.784 -9.402 2.089 1.00 0.00 H new ATOM 0 HB3 ALA A 46 7.540 -7.696 1.647 1.00 0.00 H new ATOM 722 N GLN A 47 9.948 -5.959 1.230 1.00 0.00 N ATOM 723 CA GLN A 47 10.412 -4.832 0.430 1.00 0.00 C ATOM 724 C GLN A 47 10.235 -3.519 1.186 1.00 0.00 C ATOM 725 O GLN A 47 9.680 -3.495 2.284 1.00 0.00 O ATOM 726 CB GLN A 47 9.654 -4.775 -0.898 1.00 0.00 C ATOM 727 CG GLN A 47 8.148 -4.643 -0.734 1.00 0.00 C ATOM 728 CD GLN A 47 7.469 -4.123 -1.985 1.00 0.00 C ATOM 729 OE1 GLN A 47 8.103 -3.961 -3.028 1.00 0.00 O ATOM 730 NE2 GLN A 47 6.171 -3.858 -1.888 1.00 0.00 N ATOM 0 H GLN A 47 9.481 -5.697 2.098 1.00 0.00 H new ATOM 0 HA GLN A 47 11.474 -4.975 0.228 1.00 0.00 H new ATOM 0 HB2 GLN A 47 10.023 -3.931 -1.481 1.00 0.00 H new ATOM 0 HB3 GLN A 47 9.871 -5.677 -1.470 1.00 0.00 H new ATOM 0 HG2 GLN A 47 7.728 -5.615 -0.474 1.00 0.00 H new ATOM 0 HG3 GLN A 47 7.934 -3.971 0.097 1.00 0.00 H new ATOM 0 HE21 GLN A 47 5.685 -4.007 -1.004 1.00 0.00 H new ATOM 0 HE22 GLN A 47 5.661 -3.506 -2.698 1.00 0.00 H new ATOM 739 N GLN A 48 10.710 -2.430 0.590 1.00 0.00 N ATOM 740 CA GLN A 48 10.605 -1.114 1.209 1.00 0.00 C ATOM 741 C GLN A 48 9.146 -0.740 1.448 1.00 0.00 C ATOM 742 O GLN A 48 8.228 -1.323 0.871 1.00 0.00 O ATOM 743 CB GLN A 48 11.277 -0.058 0.329 1.00 0.00 C ATOM 744 CG GLN A 48 12.742 0.170 0.665 1.00 0.00 C ATOM 745 CD GLN A 48 13.493 0.872 -0.449 1.00 0.00 C ATOM 746 OE1 GLN A 48 13.101 1.951 -0.895 1.00 0.00 O ATOM 747 NE2 GLN A 48 14.580 0.261 -0.907 1.00 0.00 N ATOM 0 H GLN A 48 11.171 -2.433 -0.320 1.00 0.00 H new ATOM 0 HA GLN A 48 11.114 -1.152 2.172 1.00 0.00 H new ATOM 0 HB2 GLN A 48 11.195 -0.361 -0.715 1.00 0.00 H new ATOM 0 HB3 GLN A 48 10.738 0.884 0.431 1.00 0.00 H new ATOM 0 HG2 GLN A 48 12.814 0.763 1.577 1.00 0.00 H new ATOM 0 HG3 GLN A 48 13.217 -0.789 0.871 1.00 0.00 H new ATOM 0 HE21 GLN A 48 14.869 -0.632 -0.509 1.00 0.00 H new ATOM 0 HE22 GLN A 48 15.126 0.685 -1.657 1.00 0.00 H new ATOM 756 N PRO A 49 8.925 0.256 2.319 1.00 0.00 N ATOM 757 CA PRO A 49 7.579 0.730 2.654 1.00 0.00 C ATOM 758 C PRO A 49 6.918 1.467 1.494 1.00 0.00 C ATOM 759 O PRO A 49 7.550 1.726 0.469 1.00 0.00 O ATOM 760 CB PRO A 49 7.821 1.686 3.826 1.00 0.00 C ATOM 761 CG PRO A 49 9.225 2.151 3.651 1.00 0.00 C ATOM 762 CD PRO A 49 9.972 0.996 3.043 1.00 0.00 C ATOM 0 HA PRO A 49 6.904 -0.093 2.889 1.00 0.00 H new ATOM 0 HB2 PRO A 49 7.122 2.522 3.806 1.00 0.00 H new ATOM 0 HB3 PRO A 49 7.687 1.181 4.783 1.00 0.00 H new ATOM 0 HG2 PRO A 49 9.268 3.027 3.004 1.00 0.00 H new ATOM 0 HG3 PRO A 49 9.663 2.439 4.607 1.00 0.00 H new ATOM 0 HD2 PRO A 49 10.761 1.336 2.372 1.00 0.00 H new ATOM 0 HD3 PRO A 49 10.447 0.378 3.805 1.00 0.00 H new ATOM 770 N LEU A 50 5.644 1.803 1.662 1.00 0.00 N ATOM 771 CA LEU A 50 4.897 2.511 0.628 1.00 0.00 C ATOM 772 C LEU A 50 4.405 3.861 1.140 1.00 0.00 C ATOM 773 O LEU A 50 3.947 3.976 2.276 1.00 0.00 O ATOM 774 CB LEU A 50 3.711 1.667 0.160 1.00 0.00 C ATOM 775 CG LEU A 50 3.969 0.751 -1.037 1.00 0.00 C ATOM 776 CD1 LEU A 50 2.697 0.017 -1.431 1.00 0.00 C ATOM 777 CD2 LEU A 50 4.512 1.550 -2.213 1.00 0.00 C ATOM 0 H LEU A 50 5.107 1.597 2.504 1.00 0.00 H new ATOM 0 HA LEU A 50 5.566 2.685 -0.215 1.00 0.00 H new ATOM 0 HB2 LEU A 50 3.375 1.053 0.996 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.890 2.338 -0.092 1.00 0.00 H new ATOM 0 HG LEU A 50 4.717 0.012 -0.750 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.900 -0.630 -2.284 1.00 0.00 H new ATOM 0 HD12 LEU A 50 2.351 -0.587 -0.592 1.00 0.00 H new ATOM 0 HD13 LEU A 50 1.927 0.741 -1.699 1.00 0.00 H new ATOM 0 HD21 LEU A 50 4.690 0.882 -3.056 1.00 0.00 H new ATOM 0 HD22 LEU A 50 3.788 2.312 -2.501 1.00 0.00 H new ATOM 0 HD23 LEU A 50 5.448 2.029 -1.926 1.00 0.00 H new ATOM 789 N SER A 51 4.502 4.881 0.292 1.00 0.00 N ATOM 790 CA SER A 51 4.068 6.224 0.659 1.00 0.00 C ATOM 791 C SER A 51 2.663 6.504 0.134 1.00 0.00 C ATOM 792 O SER A 51 2.487 7.231 -0.845 1.00 0.00 O ATOM 793 CB SER A 51 5.046 7.266 0.113 1.00 0.00 C ATOM 794 OG SER A 51 5.121 7.203 -1.301 1.00 0.00 O ATOM 0 H SER A 51 4.877 4.803 -0.653 1.00 0.00 H new ATOM 0 HA SER A 51 4.050 6.288 1.747 1.00 0.00 H new ATOM 0 HB2 SER A 51 4.729 8.263 0.419 1.00 0.00 H new ATOM 0 HB3 SER A 51 6.035 7.101 0.541 1.00 0.00 H new ATOM 0 HG SER A 51 4.221 7.284 -1.680 1.00 0.00 H new ATOM 800 N LEU A 52 1.666 5.921 0.790 1.00 0.00 N ATOM 801 CA LEU A 52 0.276 6.106 0.390 1.00 0.00 C ATOM 802 C LEU A 52 -0.025 7.579 0.131 1.00 0.00 C ATOM 803 O LEU A 52 -0.776 7.919 -0.783 1.00 0.00 O ATOM 804 CB LEU A 52 -0.662 5.565 1.471 1.00 0.00 C ATOM 805 CG LEU A 52 -0.469 4.097 1.854 1.00 0.00 C ATOM 806 CD1 LEU A 52 -1.323 3.744 3.062 1.00 0.00 C ATOM 807 CD2 LEU A 52 -0.804 3.191 0.678 1.00 0.00 C ATOM 0 H LEU A 52 1.794 5.316 1.601 1.00 0.00 H new ATOM 0 HA LEU A 52 0.113 5.553 -0.535 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -0.539 6.173 2.368 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -1.689 5.699 1.133 1.00 0.00 H new ATOM 0 HG LEU A 52 0.577 3.944 2.118 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -1.173 2.696 3.320 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -1.035 4.370 3.906 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -2.374 3.913 2.826 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -0.661 2.150 0.968 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -1.842 3.346 0.383 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -0.149 3.427 -0.161 1.00 0.00 H new ATOM 819 N VAL A 53 0.569 8.450 0.941 1.00 0.00 N ATOM 820 CA VAL A 53 0.368 9.887 0.798 1.00 0.00 C ATOM 821 C VAL A 53 0.514 10.320 -0.657 1.00 0.00 C ATOM 822 O VAL A 53 1.625 10.466 -1.164 1.00 0.00 O ATOM 823 CB VAL A 53 1.365 10.682 1.661 1.00 0.00 C ATOM 824 CG1 VAL A 53 1.138 12.178 1.499 1.00 0.00 C ATOM 825 CG2 VAL A 53 1.251 10.272 3.121 1.00 0.00 C ATOM 0 H VAL A 53 1.193 8.185 1.703 1.00 0.00 H new ATOM 0 HA VAL A 53 -0.645 10.100 1.138 1.00 0.00 H new ATOM 0 HB VAL A 53 2.375 10.454 1.321 1.00 0.00 H new ATOM 0 HG11 VAL A 53 1.852 12.723 2.116 1.00 0.00 H new ATOM 0 HG12 VAL A 53 1.276 12.456 0.454 1.00 0.00 H new ATOM 0 HG13 VAL A 53 0.124 12.428 1.810 1.00 0.00 H new ATOM 0 HG21 VAL A 53 1.963 10.844 3.716 1.00 0.00 H new ATOM 0 HG22 VAL A 53 0.240 10.469 3.476 1.00 0.00 H new ATOM 0 HG23 VAL A 53 1.469 9.208 3.218 1.00 0.00 H new ATOM 835 N GLY A 54 -0.618 10.524 -1.325 1.00 0.00 N ATOM 836 CA GLY A 54 -0.595 10.939 -2.715 1.00 0.00 C ATOM 837 C GLY A 54 -1.258 9.930 -3.632 1.00 0.00 C ATOM 838 O GLY A 54 -1.960 10.304 -4.573 1.00 0.00 O ATOM 0 H GLY A 54 -1.550 10.409 -0.928 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -1.099 11.900 -2.812 1.00 0.00 H new ATOM 0 HA3 GLY A 54 0.438 11.088 -3.030 1.00 0.00 H new ATOM 842 N CYS A 55 -1.035 8.649 -3.360 1.00 0.00 N ATOM 843 CA CYS A 55 -1.615 7.583 -4.170 1.00 0.00 C ATOM 844 C CYS A 55 -3.129 7.532 -3.996 1.00 0.00 C ATOM 845 O CYS A 55 -3.707 8.333 -3.263 1.00 0.00 O ATOM 846 CB CYS A 55 -1.000 6.235 -3.791 1.00 0.00 C ATOM 847 SG CYS A 55 0.788 6.289 -3.524 1.00 0.00 S ATOM 0 H CYS A 55 -0.457 8.323 -2.585 1.00 0.00 H new ATOM 0 HA CYS A 55 -1.394 7.793 -5.217 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -1.481 5.870 -2.884 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -1.217 5.514 -4.579 1.00 0.00 H new ATOM 0 HG CYS A 55 1.034 6.706 -2.317 1.00 0.00 H new ATOM 853 N GLU A 56 -3.766 6.584 -4.678 1.00 0.00 N ATOM 854 CA GLU A 56 -5.214 6.430 -4.601 1.00 0.00 C ATOM 855 C GLU A 56 -5.612 4.962 -4.717 1.00 0.00 C ATOM 856 O GLU A 56 -5.231 4.277 -5.667 1.00 0.00 O ATOM 857 CB GLU A 56 -5.895 7.244 -5.704 1.00 0.00 C ATOM 858 CG GLU A 56 -7.393 7.006 -5.798 1.00 0.00 C ATOM 859 CD GLU A 56 -8.136 8.195 -6.375 1.00 0.00 C ATOM 860 OE1 GLU A 56 -7.667 8.754 -7.389 1.00 0.00 O ATOM 861 OE2 GLU A 56 -9.188 8.566 -5.813 1.00 0.00 O ATOM 0 H GLU A 56 -3.302 5.912 -5.289 1.00 0.00 H new ATOM 0 HA GLU A 56 -5.542 6.801 -3.630 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -5.714 8.304 -5.526 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -5.436 6.999 -6.662 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -7.580 6.129 -6.418 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -7.785 6.784 -4.806 1.00 0.00 H new ATOM 868 N VAL A 57 -6.380 4.484 -3.743 1.00 0.00 N ATOM 869 CA VAL A 57 -6.830 3.097 -3.735 1.00 0.00 C ATOM 870 C VAL A 57 -8.169 2.951 -4.451 1.00 0.00 C ATOM 871 O VAL A 57 -9.152 3.597 -4.091 1.00 0.00 O ATOM 872 CB VAL A 57 -6.967 2.560 -2.299 1.00 0.00 C ATOM 873 CG1 VAL A 57 -7.421 1.108 -2.312 1.00 0.00 C ATOM 874 CG2 VAL A 57 -5.653 2.710 -1.547 1.00 0.00 C ATOM 0 H VAL A 57 -6.704 5.037 -2.949 1.00 0.00 H new ATOM 0 HA VAL A 57 -6.074 2.515 -4.261 1.00 0.00 H new ATOM 0 HB VAL A 57 -7.725 3.147 -1.781 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -7.512 0.746 -1.288 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -8.387 1.033 -2.811 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -6.689 0.503 -2.847 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -5.768 2.325 -0.534 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -4.873 2.149 -2.062 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -5.375 3.763 -1.506 1.00 0.00 H new ATOM 884 N VAL A 58 -8.199 2.094 -5.467 1.00 0.00 N ATOM 885 CA VAL A 58 -9.417 1.860 -6.233 1.00 0.00 C ATOM 886 C VAL A 58 -9.747 0.373 -6.301 1.00 0.00 C ATOM 887 O VAL A 58 -8.874 -0.473 -6.497 1.00 0.00 O ATOM 888 CB VAL A 58 -9.295 2.414 -7.666 1.00 0.00 C ATOM 889 CG1 VAL A 58 -9.661 3.889 -7.701 1.00 0.00 C ATOM 890 CG2 VAL A 58 -7.889 2.191 -8.204 1.00 0.00 C ATOM 0 H VAL A 58 -7.394 1.551 -5.778 1.00 0.00 H new ATOM 0 HA VAL A 58 -10.221 2.384 -5.716 1.00 0.00 H new ATOM 0 HB VAL A 58 -9.994 1.876 -8.307 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -9.569 4.263 -8.721 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -10.688 4.017 -7.359 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -8.989 4.446 -7.048 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -7.820 2.588 -9.217 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -7.169 2.702 -7.564 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -7.669 1.123 -8.217 1.00 0.00 H new ATOM 900 N PRO A 59 -11.037 0.045 -6.137 1.00 0.00 N ATOM 901 CA PRO A 59 -11.512 -1.341 -6.176 1.00 0.00 C ATOM 902 C PRO A 59 -11.437 -1.940 -7.577 1.00 0.00 C ATOM 903 O PRO A 59 -12.382 -1.836 -8.358 1.00 0.00 O ATOM 904 CB PRO A 59 -12.969 -1.229 -5.720 1.00 0.00 C ATOM 905 CG PRO A 59 -13.368 0.164 -6.065 1.00 0.00 C ATOM 906 CD PRO A 59 -12.131 1.002 -5.900 1.00 0.00 C ATOM 0 HA PRO A 59 -10.905 -1.998 -5.553 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -13.600 -1.959 -6.228 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -13.064 -1.415 -4.650 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -13.744 0.220 -7.086 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -14.167 0.514 -5.411 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -12.106 1.826 -6.613 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -12.073 1.441 -4.904 1.00 0.00 H new ATOM 914 N ASP A 60 -10.308 -2.567 -7.886 1.00 0.00 N ATOM 915 CA ASP A 60 -10.110 -3.185 -9.193 1.00 0.00 C ATOM 916 C ASP A 60 -10.182 -4.705 -9.092 1.00 0.00 C ATOM 917 O ASP A 60 -9.168 -5.403 -9.119 1.00 0.00 O ATOM 918 CB ASP A 60 -8.762 -2.764 -9.780 1.00 0.00 C ATOM 919 CG ASP A 60 -8.750 -2.813 -11.296 1.00 0.00 C ATOM 920 OD1 ASP A 60 -8.901 -3.919 -11.854 1.00 0.00 O ATOM 921 OD2 ASP A 60 -8.589 -1.745 -11.923 1.00 0.00 O ATOM 0 H ASP A 60 -9.516 -2.661 -7.250 1.00 0.00 H new ATOM 0 HA ASP A 60 -10.908 -2.845 -9.853 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -8.525 -1.752 -9.450 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -7.980 -3.417 -9.392 1.00 0.00 H new ATOM 926 N PRO A 61 -11.410 -5.232 -8.971 1.00 0.00 N ATOM 927 CA PRO A 61 -11.644 -6.675 -8.863 1.00 0.00 C ATOM 928 C PRO A 61 -11.350 -7.410 -10.166 1.00 0.00 C ATOM 929 O PRO A 61 -11.092 -6.787 -11.196 1.00 0.00 O ATOM 930 CB PRO A 61 -13.134 -6.768 -8.521 1.00 0.00 C ATOM 931 CG PRO A 61 -13.726 -5.515 -9.067 1.00 0.00 C ATOM 932 CD PRO A 61 -12.663 -4.461 -8.931 1.00 0.00 C ATOM 0 HA PRO A 61 -10.992 -7.139 -8.122 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -13.589 -7.650 -8.971 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -13.289 -6.843 -7.445 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -14.017 -5.643 -10.110 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -14.625 -5.236 -8.517 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -12.713 -3.733 -9.741 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -12.764 -3.907 -7.998 1.00 0.00 H new ATOM 940 N SER A 62 -11.392 -8.737 -10.115 1.00 0.00 N ATOM 941 CA SER A 62 -11.126 -9.557 -11.291 1.00 0.00 C ATOM 942 C SER A 62 -12.188 -10.641 -11.449 1.00 0.00 C ATOM 943 O SER A 62 -12.976 -10.911 -10.542 1.00 0.00 O ATOM 944 CB SER A 62 -9.740 -10.196 -11.192 1.00 0.00 C ATOM 945 OG SER A 62 -8.782 -9.454 -11.926 1.00 0.00 O ATOM 0 H SER A 62 -11.608 -9.268 -9.271 1.00 0.00 H new ATOM 0 HA SER A 62 -11.158 -8.910 -12.168 1.00 0.00 H new ATOM 0 HB2 SER A 62 -9.437 -10.254 -10.147 1.00 0.00 H new ATOM 0 HB3 SER A 62 -9.780 -11.218 -11.569 1.00 0.00 H new ATOM 0 HG SER A 62 -7.904 -9.882 -11.845 1.00 0.00 H new ATOM 951 N PRO A 63 -12.212 -11.278 -12.629 1.00 0.00 N ATOM 952 CA PRO A 63 -13.171 -12.343 -12.935 1.00 0.00 C ATOM 953 C PRO A 63 -12.896 -13.616 -12.142 1.00 0.00 C ATOM 954 O PRO A 63 -13.559 -14.635 -12.337 1.00 0.00 O ATOM 955 CB PRO A 63 -12.963 -12.589 -14.432 1.00 0.00 C ATOM 956 CG PRO A 63 -11.563 -12.152 -14.696 1.00 0.00 C ATOM 957 CD PRO A 63 -11.302 -11.008 -13.756 1.00 0.00 C ATOM 0 HA PRO A 63 -14.191 -12.061 -12.674 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -13.104 -13.640 -14.684 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -13.675 -12.020 -15.030 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -10.861 -12.967 -14.523 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -11.440 -11.840 -15.733 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -10.261 -10.982 -13.434 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -11.516 -10.047 -14.224 1.00 0.00 H new ATOM 965 N ASP A 64 -11.916 -13.551 -11.248 1.00 0.00 N ATOM 966 CA ASP A 64 -11.554 -14.698 -10.425 1.00 0.00 C ATOM 967 C ASP A 64 -11.549 -14.326 -8.945 1.00 0.00 C ATOM 968 O ASP A 64 -11.351 -15.179 -8.080 1.00 0.00 O ATOM 969 CB ASP A 64 -10.181 -15.234 -10.833 1.00 0.00 C ATOM 970 CG ASP A 64 -10.196 -15.880 -12.204 1.00 0.00 C ATOM 971 OD1 ASP A 64 -11.161 -16.614 -12.503 1.00 0.00 O ATOM 972 OD2 ASP A 64 -9.242 -15.653 -12.978 1.00 0.00 O ATOM 0 H ASP A 64 -11.358 -12.715 -11.075 1.00 0.00 H new ATOM 0 HA ASP A 64 -12.301 -15.476 -10.583 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -9.459 -14.417 -10.827 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -9.845 -15.962 -10.095 1.00 0.00 H new ATOM 977 N HIS A 65 -11.768 -13.045 -8.662 1.00 0.00 N ATOM 978 CA HIS A 65 -11.788 -12.559 -7.287 1.00 0.00 C ATOM 979 C HIS A 65 -12.244 -11.104 -7.232 1.00 0.00 C ATOM 980 O HIS A 65 -11.495 -10.194 -7.588 1.00 0.00 O ATOM 981 CB HIS A 65 -10.402 -12.695 -6.655 1.00 0.00 C ATOM 982 CG HIS A 65 -10.163 -14.030 -6.019 1.00 0.00 C ATOM 983 ND1 HIS A 65 -9.415 -15.083 -6.423 1.00 0.00 N flip ATOM 984 CD2 HIS A 65 -10.729 -14.403 -4.818 1.00 0.00 C flip ATOM 985 CE1 HIS A 65 -9.540 -16.062 -5.469 1.00 0.00 C flip ATOM 986 NE2 HIS A 65 -10.338 -15.627 -4.511 1.00 0.00 N flip ATOM 0 H HIS A 65 -11.934 -12.326 -9.366 1.00 0.00 H new ATOM 0 HA HIS A 65 -12.497 -13.166 -6.724 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -9.644 -12.525 -7.420 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -10.276 -11.916 -5.903 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -11.389 -13.790 -4.222 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -9.063 -17.031 -5.497 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -10.607 -16.148 -3.676 1.00 0.00 H new ATOM 995 N LEU A 66 -13.477 -10.893 -6.785 1.00 0.00 N ATOM 996 CA LEU A 66 -14.034 -9.548 -6.683 1.00 0.00 C ATOM 997 C LEU A 66 -13.635 -8.891 -5.366 1.00 0.00 C ATOM 998 O LEU A 66 -14.376 -8.075 -4.818 1.00 0.00 O ATOM 999 CB LEU A 66 -15.559 -9.596 -6.801 1.00 0.00 C ATOM 1000 CG LEU A 66 -16.125 -10.632 -7.773 1.00 0.00 C ATOM 1001 CD1 LEU A 66 -17.499 -11.096 -7.318 1.00 0.00 C ATOM 1002 CD2 LEU A 66 -16.192 -10.060 -9.182 1.00 0.00 C ATOM 0 H LEU A 66 -14.110 -11.635 -6.487 1.00 0.00 H new ATOM 0 HA LEU A 66 -13.631 -8.952 -7.501 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -15.974 -9.790 -5.812 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -15.911 -8.611 -7.106 1.00 0.00 H new ATOM 0 HG LEU A 66 -15.459 -11.495 -7.784 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -17.886 -11.833 -8.022 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -17.422 -11.545 -6.328 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -18.176 -10.243 -7.277 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -16.597 -10.811 -9.861 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -16.836 -9.181 -9.187 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -15.191 -9.778 -9.508 1.00 0.00 H new ATOM 1014 N TYR A 67 -12.459 -9.251 -4.865 1.00 0.00 N ATOM 1015 CA TYR A 67 -11.960 -8.696 -3.611 1.00 0.00 C ATOM 1016 C TYR A 67 -10.516 -8.228 -3.759 1.00 0.00 C ATOM 1017 O TYR A 67 -9.727 -8.304 -2.817 1.00 0.00 O ATOM 1018 CB TYR A 67 -12.059 -9.736 -2.494 1.00 0.00 C ATOM 1019 CG TYR A 67 -13.212 -10.699 -2.664 1.00 0.00 C ATOM 1020 CD1 TYR A 67 -14.502 -10.237 -2.895 1.00 0.00 C ATOM 1021 CD2 TYR A 67 -13.012 -12.073 -2.595 1.00 0.00 C ATOM 1022 CE1 TYR A 67 -15.558 -11.113 -3.050 1.00 0.00 C ATOM 1023 CE2 TYR A 67 -14.062 -12.957 -2.750 1.00 0.00 C ATOM 1024 CZ TYR A 67 -15.333 -12.472 -2.977 1.00 0.00 C ATOM 1025 OH TYR A 67 -16.383 -13.349 -3.132 1.00 0.00 O ATOM 0 H TYR A 67 -11.833 -9.924 -5.307 1.00 0.00 H new ATOM 0 HA TYR A 67 -12.577 -7.835 -3.353 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -11.128 -10.301 -2.452 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -12.164 -9.222 -1.539 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -14.682 -9.174 -2.954 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -12.018 -12.456 -2.417 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -16.555 -10.736 -3.227 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -13.889 -14.022 -2.694 1.00 0.00 H new ATOM 0 HH TYR A 67 -16.055 -14.269 -3.054 1.00 0.00 H new ATOM 1035 N SER A 68 -10.176 -7.743 -4.949 1.00 0.00 N ATOM 1036 CA SER A 68 -8.826 -7.265 -5.223 1.00 0.00 C ATOM 1037 C SER A 68 -8.830 -5.768 -5.519 1.00 0.00 C ATOM 1038 O SER A 68 -9.624 -5.285 -6.326 1.00 0.00 O ATOM 1039 CB SER A 68 -8.222 -8.028 -6.404 1.00 0.00 C ATOM 1040 OG SER A 68 -9.174 -8.204 -7.438 1.00 0.00 O ATOM 0 H SER A 68 -10.817 -7.671 -5.739 1.00 0.00 H new ATOM 0 HA SER A 68 -8.217 -7.441 -4.336 1.00 0.00 H new ATOM 0 HB2 SER A 68 -7.359 -7.485 -6.789 1.00 0.00 H new ATOM 0 HB3 SER A 68 -7.862 -9.000 -6.067 1.00 0.00 H new ATOM 0 HG SER A 68 -9.812 -8.902 -7.180 1.00 0.00 H new ATOM 1046 N PHE A 69 -7.936 -5.039 -4.859 1.00 0.00 N ATOM 1047 CA PHE A 69 -7.835 -3.597 -5.048 1.00 0.00 C ATOM 1048 C PHE A 69 -6.414 -3.197 -5.435 1.00 0.00 C ATOM 1049 O PHE A 69 -5.458 -3.925 -5.167 1.00 0.00 O ATOM 1050 CB PHE A 69 -8.254 -2.863 -3.773 1.00 0.00 C ATOM 1051 CG PHE A 69 -7.721 -3.492 -2.517 1.00 0.00 C ATOM 1052 CD1 PHE A 69 -8.320 -4.623 -1.986 1.00 0.00 C ATOM 1053 CD2 PHE A 69 -6.623 -2.952 -1.868 1.00 0.00 C ATOM 1054 CE1 PHE A 69 -7.832 -5.203 -0.830 1.00 0.00 C ATOM 1055 CE2 PHE A 69 -6.130 -3.528 -0.712 1.00 0.00 C ATOM 1056 CZ PHE A 69 -6.735 -4.655 -0.193 1.00 0.00 C ATOM 0 H PHE A 69 -7.271 -5.424 -4.188 1.00 0.00 H new ATOM 0 HA PHE A 69 -8.507 -3.315 -5.859 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -7.909 -1.830 -3.828 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -9.342 -2.833 -3.721 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -9.177 -5.056 -2.480 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -6.146 -2.070 -2.270 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -8.308 -6.084 -0.425 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -5.273 -3.097 -0.216 1.00 0.00 H new ATOM 0 HZ PHE A 69 -6.352 -5.108 0.709 1.00 0.00 H new ATOM 1066 N ARG A 70 -6.285 -2.036 -6.069 1.00 0.00 N ATOM 1067 CA ARG A 70 -4.982 -1.540 -6.495 1.00 0.00 C ATOM 1068 C ARG A 70 -4.841 -0.051 -6.190 1.00 0.00 C ATOM 1069 O ARG A 70 -5.834 0.648 -5.990 1.00 0.00 O ATOM 1070 CB ARG A 70 -4.783 -1.786 -7.992 1.00 0.00 C ATOM 1071 CG ARG A 70 -5.840 -1.126 -8.863 1.00 0.00 C ATOM 1072 CD ARG A 70 -5.677 -1.513 -10.324 1.00 0.00 C ATOM 1073 NE ARG A 70 -4.722 -0.650 -11.015 1.00 0.00 N ATOM 1074 CZ ARG A 70 -4.508 -0.693 -12.326 1.00 0.00 C ATOM 1075 NH1 ARG A 70 -5.177 -1.551 -13.083 1.00 0.00 N ATOM 1076 NH2 ARG A 70 -3.622 0.124 -12.881 1.00 0.00 N ATOM 0 H ARG A 70 -7.066 -1.422 -6.299 1.00 0.00 H new ATOM 0 HA ARG A 70 -4.216 -2.081 -5.940 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -3.800 -1.416 -8.285 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -4.789 -2.860 -8.179 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -6.832 -1.416 -8.517 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -5.772 -0.043 -8.762 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -5.343 -2.549 -10.390 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -6.644 -1.457 -10.824 1.00 0.00 H new ATOM 0 HE ARG A 70 -4.191 0.022 -10.461 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -5.859 -2.181 -12.660 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -5.010 -1.581 -14.089 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -3.105 0.785 -12.301 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -3.458 0.091 -13.887 1.00 0.00 H new ATOM 1090 N ILE A 71 -3.601 0.425 -6.155 1.00 0.00 N ATOM 1091 CA ILE A 71 -3.330 1.830 -5.875 1.00 0.00 C ATOM 1092 C ILE A 71 -2.782 2.541 -7.108 1.00 0.00 C ATOM 1093 O ILE A 71 -2.076 1.942 -7.921 1.00 0.00 O ATOM 1094 CB ILE A 71 -2.329 1.990 -4.717 1.00 0.00 C ATOM 1095 CG1 ILE A 71 -2.545 0.894 -3.672 1.00 0.00 C ATOM 1096 CG2 ILE A 71 -2.467 3.367 -4.084 1.00 0.00 C ATOM 1097 CD1 ILE A 71 -1.532 0.922 -2.549 1.00 0.00 C ATOM 0 H ILE A 71 -2.768 -0.141 -6.317 1.00 0.00 H new ATOM 0 HA ILE A 71 -4.279 2.283 -5.589 1.00 0.00 H new ATOM 0 HB ILE A 71 -1.319 1.893 -5.114 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -3.545 0.997 -3.251 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -2.504 -0.078 -4.163 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -1.753 3.465 -3.267 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -2.269 4.133 -4.833 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -3.479 3.490 -3.698 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -1.746 0.117 -1.846 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -0.531 0.789 -2.959 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -1.588 1.880 -2.032 1.00 0.00 H new ATOM 1109 N LEU A 72 -3.111 3.821 -7.241 1.00 0.00 N ATOM 1110 CA LEU A 72 -2.650 4.616 -8.374 1.00 0.00 C ATOM 1111 C LEU A 72 -2.342 6.047 -7.946 1.00 0.00 C ATOM 1112 O LEU A 72 -3.047 6.624 -7.118 1.00 0.00 O ATOM 1113 CB LEU A 72 -3.704 4.618 -9.483 1.00 0.00 C ATOM 1114 CG LEU A 72 -4.412 3.287 -9.739 1.00 0.00 C ATOM 1115 CD1 LEU A 72 -5.849 3.522 -10.178 1.00 0.00 C ATOM 1116 CD2 LEU A 72 -3.659 2.476 -10.784 1.00 0.00 C ATOM 0 H LEU A 72 -3.695 4.331 -6.578 1.00 0.00 H new ATOM 0 HA LEU A 72 -1.733 4.165 -8.754 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -4.458 5.366 -9.239 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -3.227 4.937 -10.410 1.00 0.00 H new ATOM 0 HG LEU A 72 -4.427 2.720 -8.808 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -6.337 2.563 -10.355 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -6.384 4.062 -9.397 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -5.858 4.109 -11.096 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -4.176 1.532 -10.954 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -3.613 3.038 -11.717 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -2.647 2.277 -10.430 1.00 0.00 H new ATOM 1128 N HIS A 73 -1.285 6.616 -8.519 1.00 0.00 N ATOM 1129 CA HIS A 73 -0.885 7.981 -8.199 1.00 0.00 C ATOM 1130 C HIS A 73 -1.398 8.959 -9.252 1.00 0.00 C ATOM 1131 O HIS A 73 -2.289 9.766 -8.984 1.00 0.00 O ATOM 1132 CB HIS A 73 0.637 8.078 -8.095 1.00 0.00 C ATOM 1133 CG HIS A 73 1.118 9.388 -7.551 1.00 0.00 C ATOM 1134 ND1 HIS A 73 0.520 10.275 -6.721 1.00 0.00 N flip ATOM 1135 CD2 HIS A 73 2.354 9.920 -7.852 1.00 0.00 C flip ATOM 1136 CE1 HIS A 73 1.398 11.315 -6.537 1.00 0.00 C flip ATOM 1137 NE2 HIS A 73 2.497 11.076 -7.229 1.00 0.00 N flip ATOM 0 H HIS A 73 -0.691 6.153 -9.207 1.00 0.00 H new ATOM 0 HA HIS A 73 -1.325 8.246 -7.238 1.00 0.00 H new ATOM 0 HB2 HIS A 73 1.001 7.273 -7.457 1.00 0.00 H new ATOM 0 HB3 HIS A 73 1.071 7.923 -9.083 1.00 0.00 H new ATOM 0 HD1 HIS A 73 -0.409 10.187 -6.309 1.00 0.00 H new ATOM 0 HD2 HIS A 73 3.090 9.463 -8.497 1.00 0.00 H new ATOM 0 HE1 HIS A 73 1.219 12.187 -5.925 1.00 0.00 H new ATOM 1146 N LYS A 74 -0.831 8.881 -10.451 1.00 0.00 N ATOM 1147 CA LYS A 74 -1.230 9.758 -11.545 1.00 0.00 C ATOM 1148 C LYS A 74 -1.667 8.946 -12.761 1.00 0.00 C ATOM 1149 O LYS A 74 -1.333 9.281 -13.896 1.00 0.00 O ATOM 1150 CB LYS A 74 -0.076 10.688 -11.928 1.00 0.00 C ATOM 1151 CG LYS A 74 0.768 11.128 -10.745 1.00 0.00 C ATOM 1152 CD LYS A 74 1.359 12.510 -10.965 1.00 0.00 C ATOM 1153 CE LYS A 74 2.481 12.800 -9.980 1.00 0.00 C ATOM 1154 NZ LYS A 74 2.931 14.218 -10.053 1.00 0.00 N ATOM 0 H LYS A 74 -0.093 8.219 -10.690 1.00 0.00 H new ATOM 0 HA LYS A 74 -2.075 10.358 -11.207 1.00 0.00 H new ATOM 0 HB2 LYS A 74 0.563 10.182 -12.651 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -0.481 11.571 -12.423 1.00 0.00 H new ATOM 0 HG2 LYS A 74 0.157 11.132 -9.842 1.00 0.00 H new ATOM 0 HG3 LYS A 74 1.571 10.409 -10.583 1.00 0.00 H new ATOM 0 HD2 LYS A 74 1.739 12.586 -11.984 1.00 0.00 H new ATOM 0 HD3 LYS A 74 0.577 13.262 -10.859 1.00 0.00 H new ATOM 0 HE2 LYS A 74 2.142 12.578 -8.968 1.00 0.00 H new ATOM 0 HE3 LYS A 74 3.324 12.140 -10.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 3.696 14.375 -9.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 3.278 14.423 -11.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 2.133 14.847 -9.832 1.00 0.00 H new ATOM 1168 N GLY A 75 -2.418 7.877 -12.514 1.00 0.00 N ATOM 1169 CA GLY A 75 -2.890 7.035 -13.598 1.00 0.00 C ATOM 1170 C GLY A 75 -2.057 5.780 -13.762 1.00 0.00 C ATOM 1171 O GLY A 75 -2.287 4.991 -14.678 1.00 0.00 O ATOM 0 H GLY A 75 -2.708 7.579 -11.583 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -3.928 6.757 -13.413 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -2.873 7.603 -14.528 1.00 0.00 H new ATOM 1175 N GLU A 76 -1.086 5.595 -12.873 1.00 0.00 N ATOM 1176 CA GLU A 76 -0.214 4.428 -12.926 1.00 0.00 C ATOM 1177 C GLU A 76 -0.517 3.470 -11.777 1.00 0.00 C ATOM 1178 O GLU A 76 -1.314 3.780 -10.892 1.00 0.00 O ATOM 1179 CB GLU A 76 1.254 4.856 -12.874 1.00 0.00 C ATOM 1180 CG GLU A 76 1.892 5.009 -14.244 1.00 0.00 C ATOM 1181 CD GLU A 76 3.407 5.040 -14.181 1.00 0.00 C ATOM 1182 OE1 GLU A 76 3.958 5.993 -13.592 1.00 0.00 O ATOM 1183 OE2 GLU A 76 4.041 4.110 -14.723 1.00 0.00 O ATOM 0 H GLU A 76 -0.884 6.238 -12.108 1.00 0.00 H new ATOM 0 HA GLU A 76 -0.400 3.910 -13.867 1.00 0.00 H new ATOM 0 HB2 GLU A 76 1.329 5.803 -12.340 1.00 0.00 H new ATOM 0 HB3 GLU A 76 1.818 4.121 -12.300 1.00 0.00 H new ATOM 0 HG2 GLU A 76 1.575 4.184 -14.882 1.00 0.00 H new ATOM 0 HG3 GLU A 76 1.532 5.927 -14.708 1.00 0.00 H new ATOM 1190 N GLU A 77 0.124 2.306 -11.800 1.00 0.00 N ATOM 1191 CA GLU A 77 -0.078 1.303 -10.761 1.00 0.00 C ATOM 1192 C GLU A 77 1.185 1.125 -9.923 1.00 0.00 C ATOM 1193 O GLU A 77 2.233 0.730 -10.435 1.00 0.00 O ATOM 1194 CB GLU A 77 -0.482 -0.035 -11.384 1.00 0.00 C ATOM 1195 CG GLU A 77 -0.800 -1.112 -10.361 1.00 0.00 C ATOM 1196 CD GLU A 77 -1.164 -2.437 -11.002 1.00 0.00 C ATOM 1197 OE1 GLU A 77 -2.363 -2.654 -11.275 1.00 0.00 O ATOM 1198 OE2 GLU A 77 -0.250 -3.256 -11.232 1.00 0.00 O ATOM 0 H GLU A 77 0.787 2.034 -12.526 1.00 0.00 H new ATOM 0 HA GLU A 77 -0.880 1.649 -10.109 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -1.354 0.119 -12.020 1.00 0.00 H new ATOM 0 HB3 GLU A 77 0.325 -0.385 -12.028 1.00 0.00 H new ATOM 0 HG2 GLU A 77 0.061 -1.253 -9.708 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -1.625 -0.778 -9.732 1.00 0.00 H new ATOM 1205 N LEU A 78 1.078 1.421 -8.633 1.00 0.00 N ATOM 1206 CA LEU A 78 2.211 1.295 -7.722 1.00 0.00 C ATOM 1207 C LEU A 78 2.206 -0.065 -7.031 1.00 0.00 C ATOM 1208 O LEU A 78 3.224 -0.756 -6.991 1.00 0.00 O ATOM 1209 CB LEU A 78 2.177 2.411 -6.677 1.00 0.00 C ATOM 1210 CG LEU A 78 2.161 3.840 -7.221 1.00 0.00 C ATOM 1211 CD1 LEU A 78 2.148 4.845 -6.080 1.00 0.00 C ATOM 1212 CD2 LEU A 78 3.357 4.078 -8.130 1.00 0.00 C ATOM 0 H LEU A 78 0.218 1.750 -8.194 1.00 0.00 H new ATOM 0 HA LEU A 78 3.127 1.381 -8.307 1.00 0.00 H new ATOM 0 HB2 LEU A 78 1.294 2.271 -6.054 1.00 0.00 H new ATOM 0 HB3 LEU A 78 3.046 2.300 -6.028 1.00 0.00 H new ATOM 0 HG LEU A 78 1.252 3.975 -7.807 1.00 0.00 H new ATOM 0 HD11 LEU A 78 2.137 5.856 -6.486 1.00 0.00 H new ATOM 0 HD12 LEU A 78 1.259 4.690 -5.468 1.00 0.00 H new ATOM 0 HD13 LEU A 78 3.039 4.710 -5.466 1.00 0.00 H new ATOM 0 HD21 LEU A 78 3.329 5.100 -8.508 1.00 0.00 H new ATOM 0 HD22 LEU A 78 4.278 3.924 -7.567 1.00 0.00 H new ATOM 0 HD23 LEU A 78 3.322 3.381 -8.967 1.00 0.00 H new ATOM 1224 N ALA A 79 1.052 -0.444 -6.491 1.00 0.00 N ATOM 1225 CA ALA A 79 0.913 -1.723 -5.806 1.00 0.00 C ATOM 1226 C ALA A 79 -0.462 -2.332 -6.054 1.00 0.00 C ATOM 1227 O ALA A 79 -1.379 -1.654 -6.519 1.00 0.00 O ATOM 1228 CB ALA A 79 1.155 -1.551 -4.313 1.00 0.00 C ATOM 0 H ALA A 79 0.200 0.117 -6.515 1.00 0.00 H new ATOM 0 HA ALA A 79 1.661 -2.406 -6.208 1.00 0.00 H new ATOM 0 HB1 ALA A 79 1.048 -2.514 -3.814 1.00 0.00 H new ATOM 0 HB2 ALA A 79 2.162 -1.167 -4.149 1.00 0.00 H new ATOM 0 HB3 ALA A 79 0.428 -0.848 -3.905 1.00 0.00 H new ATOM 1234 N LYS A 80 -0.601 -3.616 -5.741 1.00 0.00 N ATOM 1235 CA LYS A 80 -1.865 -4.318 -5.930 1.00 0.00 C ATOM 1236 C LYS A 80 -2.058 -5.388 -4.860 1.00 0.00 C ATOM 1237 O LYS A 80 -1.315 -6.368 -4.806 1.00 0.00 O ATOM 1238 CB LYS A 80 -1.915 -4.957 -7.319 1.00 0.00 C ATOM 1239 CG LYS A 80 -3.286 -5.493 -7.693 1.00 0.00 C ATOM 1240 CD LYS A 80 -3.521 -5.424 -9.193 1.00 0.00 C ATOM 1241 CE LYS A 80 -4.677 -6.317 -9.617 1.00 0.00 C ATOM 1242 NZ LYS A 80 -5.981 -5.599 -9.565 1.00 0.00 N ATOM 0 H LYS A 80 0.147 -4.192 -5.355 1.00 0.00 H new ATOM 0 HA LYS A 80 -2.672 -3.591 -5.842 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -1.608 -4.219 -8.060 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -1.192 -5.771 -7.361 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -3.378 -6.526 -7.356 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -4.055 -4.919 -7.176 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -3.730 -4.394 -9.483 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -2.615 -5.725 -9.719 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -4.503 -6.680 -10.630 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -4.718 -7.191 -8.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -6.743 -6.242 -9.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -6.160 -5.274 -8.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -5.952 -4.779 -10.204 1.00 0.00 H new ATOM 1256 N LEU A 81 -3.061 -5.194 -4.010 1.00 0.00 N ATOM 1257 CA LEU A 81 -3.353 -6.143 -2.942 1.00 0.00 C ATOM 1258 C LEU A 81 -4.670 -6.868 -3.202 1.00 0.00 C ATOM 1259 O LEU A 81 -5.487 -6.420 -4.005 1.00 0.00 O ATOM 1260 CB LEU A 81 -3.413 -5.422 -1.594 1.00 0.00 C ATOM 1261 CG LEU A 81 -2.215 -4.535 -1.254 1.00 0.00 C ATOM 1262 CD1 LEU A 81 -0.920 -5.187 -1.713 1.00 0.00 C ATOM 1263 CD2 LEU A 81 -2.374 -3.159 -1.885 1.00 0.00 C ATOM 0 H LEU A 81 -3.685 -4.388 -4.040 1.00 0.00 H new ATOM 0 HA LEU A 81 -2.552 -6.881 -2.917 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -4.313 -4.807 -1.573 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -3.520 -6.170 -0.809 1.00 0.00 H new ATOM 0 HG LEU A 81 -2.173 -4.414 -0.172 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -0.079 -4.541 -1.462 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -0.800 -6.149 -1.214 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -0.952 -5.339 -2.792 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -1.512 -2.541 -1.632 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -2.442 -3.261 -2.968 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -3.281 -2.688 -1.507 1.00 0.00 H new ATOM 1275 N GLU A 82 -4.868 -7.989 -2.517 1.00 0.00 N ATOM 1276 CA GLU A 82 -6.086 -8.775 -2.674 1.00 0.00 C ATOM 1277 C GLU A 82 -6.537 -9.353 -1.335 1.00 0.00 C ATOM 1278 O GLU A 82 -5.730 -9.886 -0.574 1.00 0.00 O ATOM 1279 CB GLU A 82 -5.864 -9.905 -3.681 1.00 0.00 C ATOM 1280 CG GLU A 82 -6.794 -11.090 -3.482 1.00 0.00 C ATOM 1281 CD GLU A 82 -6.940 -11.935 -4.732 1.00 0.00 C ATOM 1282 OE1 GLU A 82 -6.905 -11.362 -5.842 1.00 0.00 O ATOM 1283 OE2 GLU A 82 -7.088 -13.168 -4.602 1.00 0.00 O ATOM 0 H GLU A 82 -4.201 -8.374 -1.848 1.00 0.00 H new ATOM 0 HA GLU A 82 -6.869 -8.114 -3.047 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -5.999 -9.513 -4.689 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -4.832 -10.248 -3.608 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -6.416 -11.711 -2.670 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -7.776 -10.729 -3.176 1.00 0.00 H new ATOM 1290 N ALA A 83 -7.831 -9.244 -1.056 1.00 0.00 N ATOM 1291 CA ALA A 83 -8.391 -9.756 0.188 1.00 0.00 C ATOM 1292 C ALA A 83 -9.018 -11.131 -0.017 1.00 0.00 C ATOM 1293 O ALA A 83 -8.914 -11.718 -1.094 1.00 0.00 O ATOM 1294 CB ALA A 83 -9.419 -8.783 0.745 1.00 0.00 C ATOM 0 H ALA A 83 -8.512 -8.805 -1.676 1.00 0.00 H new ATOM 0 HA ALA A 83 -7.579 -9.859 0.907 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -9.829 -9.179 1.674 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -8.943 -7.822 0.939 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -10.223 -8.650 0.022 1.00 0.00 H new ATOM 1300 N LYS A 84 -9.668 -11.641 1.024 1.00 0.00 N ATOM 1301 CA LYS A 84 -10.313 -12.947 0.959 1.00 0.00 C ATOM 1302 C LYS A 84 -11.785 -12.809 0.585 1.00 0.00 C ATOM 1303 O LYS A 84 -12.327 -13.629 -0.155 1.00 0.00 O ATOM 1304 CB LYS A 84 -10.182 -13.671 2.301 1.00 0.00 C ATOM 1305 CG LYS A 84 -10.916 -12.981 3.438 1.00 0.00 C ATOM 1306 CD LYS A 84 -10.981 -13.861 4.675 1.00 0.00 C ATOM 1307 CE LYS A 84 -9.628 -13.954 5.364 1.00 0.00 C ATOM 1308 NZ LYS A 84 -9.350 -12.757 6.204 1.00 0.00 N ATOM 0 H LYS A 84 -9.762 -11.169 1.923 1.00 0.00 H new ATOM 0 HA LYS A 84 -9.814 -13.533 0.187 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -10.565 -14.686 2.196 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -9.126 -13.754 2.558 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -10.413 -12.045 3.682 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -11.926 -12.726 3.118 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -11.718 -13.459 5.370 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -11.318 -14.859 4.395 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -9.598 -14.849 5.986 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -8.845 -14.061 4.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -8.419 -12.859 6.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -9.353 -11.905 5.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -10.083 -12.669 6.937 1.00 0.00 H new ATOM 1322 N SER A 85 -12.427 -11.765 1.101 1.00 0.00 N ATOM 1323 CA SER A 85 -13.837 -11.521 0.823 1.00 0.00 C ATOM 1324 C SER A 85 -14.100 -10.033 0.613 1.00 0.00 C ATOM 1325 O SER A 85 -13.233 -9.196 0.864 1.00 0.00 O ATOM 1326 CB SER A 85 -14.703 -12.046 1.971 1.00 0.00 C ATOM 1327 OG SER A 85 -16.069 -11.731 1.764 1.00 0.00 O ATOM 0 H SER A 85 -11.992 -11.075 1.714 1.00 0.00 H new ATOM 0 HA SER A 85 -14.098 -12.051 -0.093 1.00 0.00 H new ATOM 0 HB2 SER A 85 -14.584 -13.126 2.056 1.00 0.00 H new ATOM 0 HB3 SER A 85 -14.365 -11.613 2.913 1.00 0.00 H new ATOM 0 HG SER A 85 -16.601 -12.078 2.510 1.00 0.00 H new ATOM 1333 N SER A 86 -15.303 -9.711 0.148 1.00 0.00 N ATOM 1334 CA SER A 86 -15.680 -8.324 -0.101 1.00 0.00 C ATOM 1335 C SER A 86 -15.648 -7.512 1.191 1.00 0.00 C ATOM 1336 O SER A 86 -15.308 -6.330 1.183 1.00 0.00 O ATOM 1337 CB SER A 86 -17.076 -8.257 -0.724 1.00 0.00 C ATOM 1338 OG SER A 86 -17.163 -9.087 -1.869 1.00 0.00 O ATOM 0 H SER A 86 -16.033 -10.391 -0.064 1.00 0.00 H new ATOM 0 HA SER A 86 -14.958 -7.896 -0.797 1.00 0.00 H new ATOM 0 HB2 SER A 86 -17.821 -8.565 0.010 1.00 0.00 H new ATOM 0 HB3 SER A 86 -17.306 -7.228 -0.999 1.00 0.00 H new ATOM 0 HG SER A 86 -16.261 -9.293 -2.193 1.00 0.00 H new ATOM 1344 N GLU A 87 -16.004 -8.157 2.297 1.00 0.00 N ATOM 1345 CA GLU A 87 -16.017 -7.494 3.596 1.00 0.00 C ATOM 1346 C GLU A 87 -14.604 -7.108 4.023 1.00 0.00 C ATOM 1347 O GLU A 87 -14.404 -6.106 4.709 1.00 0.00 O ATOM 1348 CB GLU A 87 -16.650 -8.404 4.651 1.00 0.00 C ATOM 1349 CG GLU A 87 -18.164 -8.297 4.717 1.00 0.00 C ATOM 1350 CD GLU A 87 -18.819 -9.575 5.205 1.00 0.00 C ATOM 1351 OE1 GLU A 87 -18.243 -10.660 4.981 1.00 0.00 O ATOM 1352 OE2 GLU A 87 -19.908 -9.489 5.811 1.00 0.00 O ATOM 0 H GLU A 87 -16.287 -9.137 2.320 1.00 0.00 H new ATOM 0 HA GLU A 87 -16.612 -6.585 3.506 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -16.376 -9.437 4.439 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -16.234 -8.158 5.628 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -18.438 -7.477 5.380 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -18.550 -8.050 3.728 1.00 0.00 H new ATOM 1359 N GLU A 88 -13.627 -7.912 3.613 1.00 0.00 N ATOM 1360 CA GLU A 88 -12.233 -7.655 3.955 1.00 0.00 C ATOM 1361 C GLU A 88 -11.666 -6.519 3.108 1.00 0.00 C ATOM 1362 O GLU A 88 -11.029 -5.603 3.627 1.00 0.00 O ATOM 1363 CB GLU A 88 -11.395 -8.920 3.759 1.00 0.00 C ATOM 1364 CG GLU A 88 -9.908 -8.705 3.981 1.00 0.00 C ATOM 1365 CD GLU A 88 -9.535 -8.677 5.450 1.00 0.00 C ATOM 1366 OE1 GLU A 88 -10.213 -7.967 6.222 1.00 0.00 O ATOM 1367 OE2 GLU A 88 -8.565 -9.367 5.829 1.00 0.00 O ATOM 0 H GLU A 88 -13.775 -8.746 3.044 1.00 0.00 H new ATOM 0 HA GLU A 88 -12.191 -7.359 5.003 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -11.749 -9.690 4.445 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -11.552 -9.297 2.748 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -9.352 -9.500 3.484 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -9.607 -7.766 3.516 1.00 0.00 H new ATOM 1374 N MET A 89 -11.902 -6.588 1.802 1.00 0.00 N ATOM 1375 CA MET A 89 -11.415 -5.566 0.883 1.00 0.00 C ATOM 1376 C MET A 89 -12.055 -4.214 1.185 1.00 0.00 C ATOM 1377 O MET A 89 -11.418 -3.171 1.048 1.00 0.00 O ATOM 1378 CB MET A 89 -11.706 -5.969 -0.563 1.00 0.00 C ATOM 1379 CG MET A 89 -13.099 -5.583 -1.033 1.00 0.00 C ATOM 1380 SD MET A 89 -13.133 -3.982 -1.863 1.00 0.00 S ATOM 1381 CE MET A 89 -12.002 -4.280 -3.219 1.00 0.00 C ATOM 0 H MET A 89 -12.427 -7.340 1.357 1.00 0.00 H new ATOM 0 HA MET A 89 -10.337 -5.476 1.017 1.00 0.00 H new ATOM 0 HB2 MET A 89 -10.969 -5.503 -1.217 1.00 0.00 H new ATOM 0 HB3 MET A 89 -11.584 -7.048 -0.663 1.00 0.00 H new ATOM 0 HG2 MET A 89 -13.474 -6.348 -1.713 1.00 0.00 H new ATOM 0 HG3 MET A 89 -13.773 -5.559 -0.177 1.00 0.00 H new ATOM 0 HE1 MET A 89 -12.268 -3.641 -4.061 1.00 0.00 H new ATOM 0 HE2 MET A 89 -10.984 -4.055 -2.900 1.00 0.00 H new ATOM 0 HE3 MET A 89 -12.065 -5.325 -3.522 1.00 0.00 H new ATOM 1391 N GLY A 90 -13.319 -4.241 1.596 1.00 0.00 N ATOM 1392 CA GLY A 90 -14.024 -3.012 1.910 1.00 0.00 C ATOM 1393 C GLY A 90 -13.452 -2.310 3.126 1.00 0.00 C ATOM 1394 O GLY A 90 -13.597 -1.097 3.277 1.00 0.00 O ATOM 0 H GLY A 90 -13.868 -5.092 1.717 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -13.978 -2.341 1.052 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -15.077 -3.235 2.085 1.00 0.00 H new ATOM 1398 N HIS A 91 -12.801 -3.075 3.997 1.00 0.00 N ATOM 1399 CA HIS A 91 -12.206 -2.519 5.207 1.00 0.00 C ATOM 1400 C HIS A 91 -10.841 -1.905 4.909 1.00 0.00 C ATOM 1401 O HIS A 91 -10.411 -0.968 5.581 1.00 0.00 O ATOM 1402 CB HIS A 91 -12.068 -3.602 6.277 1.00 0.00 C ATOM 1403 CG HIS A 91 -11.062 -3.272 7.337 1.00 0.00 C ATOM 1404 ND1 HIS A 91 -11.331 -2.429 8.394 1.00 0.00 N ATOM 1405 CD2 HIS A 91 -9.781 -3.680 7.499 1.00 0.00 C ATOM 1406 CE1 HIS A 91 -10.259 -2.330 9.160 1.00 0.00 C ATOM 1407 NE2 HIS A 91 -9.304 -3.080 8.639 1.00 0.00 N ATOM 0 H HIS A 91 -12.672 -4.081 3.887 1.00 0.00 H new ATOM 0 HA HIS A 91 -12.865 -1.734 5.578 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -13.038 -3.763 6.746 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -11.785 -4.540 5.799 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -9.236 -4.352 6.853 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -10.177 -1.737 10.059 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -8.365 -3.195 9.021 1.00 0.00 H new ATOM 1416 N TRP A 92 -10.165 -2.441 3.898 1.00 0.00 N ATOM 1417 CA TRP A 92 -8.849 -1.946 3.512 1.00 0.00 C ATOM 1418 C TRP A 92 -8.969 -0.707 2.632 1.00 0.00 C ATOM 1419 O TRP A 92 -8.190 0.238 2.763 1.00 0.00 O ATOM 1420 CB TRP A 92 -8.068 -3.035 2.775 1.00 0.00 C ATOM 1421 CG TRP A 92 -7.406 -4.017 3.695 1.00 0.00 C ATOM 1422 CD1 TRP A 92 -7.888 -5.237 4.075 1.00 0.00 C ATOM 1423 CD2 TRP A 92 -6.143 -3.860 4.351 1.00 0.00 C ATOM 1424 NE1 TRP A 92 -7.001 -5.848 4.928 1.00 0.00 N ATOM 1425 CE2 TRP A 92 -5.922 -5.024 5.112 1.00 0.00 C ATOM 1426 CE3 TRP A 92 -5.177 -2.851 4.367 1.00 0.00 C ATOM 1427 CZ2 TRP A 92 -4.775 -5.203 5.881 1.00 0.00 C ATOM 1428 CZ3 TRP A 92 -4.039 -3.030 5.131 1.00 0.00 C ATOM 1429 CH2 TRP A 92 -3.846 -4.199 5.879 1.00 0.00 C ATOM 0 H TRP A 92 -10.507 -3.218 3.332 1.00 0.00 H new ATOM 0 HA TRP A 92 -8.311 -1.673 4.420 1.00 0.00 H new ATOM 0 HB2 TRP A 92 -8.745 -3.571 2.110 1.00 0.00 H new ATOM 0 HB3 TRP A 92 -7.309 -2.567 2.148 1.00 0.00 H new ATOM 0 HD1 TRP A 92 -8.828 -5.659 3.752 1.00 0.00 H new ATOM 0 HE1 TRP A 92 -7.126 -6.766 5.355 1.00 0.00 H new ATOM 0 HE3 TRP A 92 -5.317 -1.947 3.793 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 -4.624 -6.103 6.459 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 -3.286 -2.256 5.152 1.00 0.00 H new ATOM 0 HH2 TRP A 92 -2.946 -4.310 6.466 1.00 0.00 H new ATOM 1440 N LEU A 93 -9.950 -0.716 1.736 1.00 0.00 N ATOM 1441 CA LEU A 93 -10.173 0.409 0.834 1.00 0.00 C ATOM 1442 C LEU A 93 -10.121 1.732 1.591 1.00 0.00 C ATOM 1443 O LEU A 93 -9.284 2.588 1.307 1.00 0.00 O ATOM 1444 CB LEU A 93 -11.523 0.264 0.130 1.00 0.00 C ATOM 1445 CG LEU A 93 -11.560 -0.698 -1.058 1.00 0.00 C ATOM 1446 CD1 LEU A 93 -12.944 -0.713 -1.690 1.00 0.00 C ATOM 1447 CD2 LEU A 93 -10.506 -0.316 -2.087 1.00 0.00 C ATOM 0 H LEU A 93 -10.604 -1.490 1.615 1.00 0.00 H new ATOM 0 HA LEU A 93 -9.379 0.407 0.087 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -12.259 -0.067 0.863 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -11.838 1.249 -0.215 1.00 0.00 H new ATOM 0 HG LEU A 93 -11.338 -1.702 -0.695 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -12.951 -1.403 -2.534 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -13.678 -1.035 -0.951 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -13.196 0.289 -2.038 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -10.547 -1.012 -2.925 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -10.697 0.696 -2.445 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -9.518 -0.358 -1.629 1.00 0.00 H new ATOM 1459 N GLY A 94 -11.020 1.892 2.557 1.00 0.00 N ATOM 1460 CA GLY A 94 -11.058 3.112 3.341 1.00 0.00 C ATOM 1461 C GLY A 94 -9.829 3.281 4.211 1.00 0.00 C ATOM 1462 O GLY A 94 -9.390 4.403 4.468 1.00 0.00 O ATOM 0 H GLY A 94 -11.723 1.198 2.811 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -11.146 3.968 2.672 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -11.947 3.108 3.971 1.00 0.00 H new ATOM 1466 N LEU A 95 -9.272 2.165 4.668 1.00 0.00 N ATOM 1467 CA LEU A 95 -8.086 2.193 5.517 1.00 0.00 C ATOM 1468 C LEU A 95 -6.892 2.774 4.765 1.00 0.00 C ATOM 1469 O LEU A 95 -6.081 3.504 5.336 1.00 0.00 O ATOM 1470 CB LEU A 95 -7.755 0.784 6.012 1.00 0.00 C ATOM 1471 CG LEU A 95 -6.365 0.595 6.619 1.00 0.00 C ATOM 1472 CD1 LEU A 95 -6.390 0.889 8.111 1.00 0.00 C ATOM 1473 CD2 LEU A 95 -5.856 -0.815 6.360 1.00 0.00 C ATOM 0 H LEU A 95 -9.623 1.229 4.465 1.00 0.00 H new ATOM 0 HA LEU A 95 -8.298 2.832 6.374 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -8.497 0.499 6.758 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -7.862 0.093 5.176 1.00 0.00 H new ATOM 0 HG LEU A 95 -5.683 1.299 6.142 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -5.392 0.749 8.526 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -6.710 1.918 8.274 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -7.086 0.210 8.604 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -4.865 -0.931 6.799 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -6.539 -1.536 6.809 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -5.799 -0.990 5.286 1.00 0.00 H new ATOM 1485 N LEU A 96 -6.792 2.447 3.482 1.00 0.00 N ATOM 1486 CA LEU A 96 -5.699 2.938 2.650 1.00 0.00 C ATOM 1487 C LEU A 96 -6.038 4.300 2.052 1.00 0.00 C ATOM 1488 O LEU A 96 -5.182 5.181 1.961 1.00 0.00 O ATOM 1489 CB LEU A 96 -5.393 1.939 1.533 1.00 0.00 C ATOM 1490 CG LEU A 96 -4.850 0.581 1.976 1.00 0.00 C ATOM 1491 CD1 LEU A 96 -4.997 -0.443 0.861 1.00 0.00 C ATOM 1492 CD2 LEU A 96 -3.395 0.702 2.404 1.00 0.00 C ATOM 0 H LEU A 96 -7.455 1.844 2.995 1.00 0.00 H new ATOM 0 HA LEU A 96 -4.817 3.049 3.281 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -6.306 1.773 0.961 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -4.670 2.393 0.855 1.00 0.00 H new ATOM 0 HG LEU A 96 -5.432 0.241 2.832 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -4.605 -1.404 1.195 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -6.050 -0.551 0.603 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -4.441 -0.109 -0.015 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -3.025 -0.275 2.716 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -2.799 1.065 1.567 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -3.317 1.402 3.236 1.00 0.00 H new ATOM 1504 N LEU A 97 -7.293 4.466 1.649 1.00 0.00 N ATOM 1505 CA LEU A 97 -7.747 5.722 1.061 1.00 0.00 C ATOM 1506 C LEU A 97 -7.477 6.892 2.002 1.00 0.00 C ATOM 1507 O LEU A 97 -6.794 7.849 1.637 1.00 0.00 O ATOM 1508 CB LEU A 97 -9.241 5.646 0.740 1.00 0.00 C ATOM 1509 CG LEU A 97 -9.617 4.870 -0.523 1.00 0.00 C ATOM 1510 CD1 LEU A 97 -11.107 4.568 -0.540 1.00 0.00 C ATOM 1511 CD2 LEU A 97 -9.215 5.649 -1.767 1.00 0.00 C ATOM 0 H LEU A 97 -8.014 3.748 1.718 1.00 0.00 H new ATOM 0 HA LEU A 97 -7.191 5.885 0.138 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -9.752 5.190 1.588 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -9.624 6.662 0.646 1.00 0.00 H new ATOM 0 HG LEU A 97 -9.075 3.924 -0.520 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -11.356 4.015 -1.446 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -11.367 3.969 0.333 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -11.668 5.502 -0.519 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -9.490 5.082 -2.656 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -9.729 6.610 -1.776 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -8.138 5.814 -1.761 1.00 0.00 H new ATOM 1523 N SER A 98 -8.015 6.807 3.214 1.00 0.00 N ATOM 1524 CA SER A 98 -7.833 7.860 4.207 1.00 0.00 C ATOM 1525 C SER A 98 -6.363 8.254 4.317 1.00 0.00 C ATOM 1526 O SER A 98 -6.025 9.437 4.306 1.00 0.00 O ATOM 1527 CB SER A 98 -8.353 7.400 5.570 1.00 0.00 C ATOM 1528 OG SER A 98 -8.254 8.437 6.530 1.00 0.00 O ATOM 0 H SER A 98 -8.581 6.020 3.533 1.00 0.00 H new ATOM 0 HA SER A 98 -8.402 8.732 3.885 1.00 0.00 H new ATOM 0 HB2 SER A 98 -9.392 7.083 5.478 1.00 0.00 H new ATOM 0 HB3 SER A 98 -7.784 6.533 5.906 1.00 0.00 H new ATOM 0 HG SER A 98 -8.594 8.118 7.392 1.00 0.00 H new ATOM 1534 N GLU A 99 -5.495 7.253 4.424 1.00 0.00 N ATOM 1535 CA GLU A 99 -4.061 7.496 4.537 1.00 0.00 C ATOM 1536 C GLU A 99 -3.520 8.159 3.274 1.00 0.00 C ATOM 1537 O GLU A 99 -2.765 9.129 3.344 1.00 0.00 O ATOM 1538 CB GLU A 99 -3.319 6.183 4.795 1.00 0.00 C ATOM 1539 CG GLU A 99 -3.757 5.476 6.067 1.00 0.00 C ATOM 1540 CD GLU A 99 -3.505 6.305 7.312 1.00 0.00 C ATOM 1541 OE1 GLU A 99 -2.382 6.832 7.456 1.00 0.00 O ATOM 1542 OE2 GLU A 99 -4.431 6.426 8.141 1.00 0.00 O ATOM 0 H GLU A 99 -5.759 6.268 4.435 1.00 0.00 H new ATOM 0 HA GLU A 99 -3.897 8.170 5.378 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -3.473 5.516 3.947 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -2.249 6.385 4.851 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -4.819 5.241 6.000 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -3.226 4.528 6.153 1.00 0.00 H new ATOM 1549 N SER A 100 -3.911 7.628 2.120 1.00 0.00 N ATOM 1550 CA SER A 100 -3.462 8.165 0.840 1.00 0.00 C ATOM 1551 C SER A 100 -4.165 9.482 0.528 1.00 0.00 C ATOM 1552 O SER A 100 -5.378 9.519 0.325 1.00 0.00 O ATOM 1553 CB SER A 100 -3.723 7.156 -0.280 1.00 0.00 C ATOM 1554 OG SER A 100 -5.108 6.889 -0.413 1.00 0.00 O ATOM 0 H SER A 100 -4.538 6.827 2.045 1.00 0.00 H new ATOM 0 HA SER A 100 -2.390 8.352 0.908 1.00 0.00 H new ATOM 0 HB2 SER A 100 -3.332 7.543 -1.221 1.00 0.00 H new ATOM 0 HB3 SER A 100 -3.189 6.229 -0.070 1.00 0.00 H new ATOM 0 HG SER A 100 -5.604 7.385 0.271 1.00 0.00 H new