USER MOD reduce.3.24.130724 H: found=0, std=0, add=738, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 741 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 83 ASN : amide:sc= -11.8! C(o=-12!,f=-5.4!) USER MOD Set 1.2: A 103 THR OG1 : rot 88:sc= -0.488 USER MOD Single : A 14 ASN : amide:sc= 1.17 K(o=1.2,f=-0.13) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -0.995 K(o=-0.99,f=-0.32) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 20 MET CE :methyl 164:sc= 0 (180deg=-0.292) USER MOD Single : A 22 GLN : amide:sc= -0.0578 K(o=-0.058,f=-1.8!) USER MOD Single : A 25 GLN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 135:sc= 0.147 USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.049) USER MOD Single : A 50 ASN : amide:sc= -0.0917 K(o=-0.092,f=-0.93) USER MOD Single : A 53 LYS NZ :NH3+ -122:sc= -0.333 (180deg=-1.68!) USER MOD Single : A 59 LYS NZ :NH3+ -122:sc= -1.35! (180deg=-3.26!) USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=-2.4!) USER MOD Single : A 65 SER OG : rot -54:sc= -0.58 USER MOD Single : A 74 LYS NZ :NH3+ 149:sc= -0.0426 (180deg=-0.948) USER MOD Single : A 76 ASN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 78 GLN : amide:sc= 0.554 K(o=0.55,f=-4.1!) USER MOD Single : A 84 HIS : no HD1:sc= -0.856 K(o=-0.86,f=-0.071) USER MOD Single : A 85 THR OG1 : rot -4:sc= 1.09 USER MOD Single : A 89 GLN : amide:sc=-0.00018 X(o=-0.00018,f=-0.00018) USER MOD Single : A 90 ASN : amide:sc= -0.22 K(o=-0.22,f=-3.3!) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 HIS : no HD1:sc= -3.45 K(o=-3.5,f=-1.9) USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=-0.036) USER MOD Single : A 101 GLN : amide:sc= -0.507 X(o=-0.51,f=-0.12) USER MOD Single : A 102 GLN : amide:sc= -0.957 K(o=-0.96,f=0) USER MOD Single : A 104 THR OG1 : rot 180:sc= 0.0264 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 121 N ASP A 12 3.670 -11.887 -13.208 1.00 0.00 N ATOM 122 CA ASP A 12 3.596 -10.518 -13.706 1.00 0.00 C ATOM 123 C ASP A 12 3.018 -9.585 -12.646 1.00 0.00 C ATOM 124 O ASP A 12 2.507 -10.035 -11.621 1.00 0.00 O ATOM 125 CB ASP A 12 2.743 -10.460 -14.974 1.00 0.00 C ATOM 126 CG ASP A 12 1.267 -10.658 -14.689 1.00 0.00 C ATOM 127 OD1 ASP A 12 0.827 -11.825 -14.629 1.00 0.00 O ATOM 128 OD2 ASP A 12 0.553 -9.647 -14.527 1.00 0.00 O ATOM 0 HA ASP A 12 4.608 -10.188 -13.942 1.00 0.00 H new ATOM 0 HB2 ASP A 12 2.890 -9.497 -15.463 1.00 0.00 H new ATOM 0 HB3 ASP A 12 3.081 -11.226 -15.671 1.00 0.00 H new ATOM 133 N PHE A 13 3.105 -8.283 -12.901 1.00 0.00 N ATOM 134 CA PHE A 13 2.592 -7.287 -11.968 1.00 0.00 C ATOM 135 C PHE A 13 1.259 -7.731 -11.374 1.00 0.00 C ATOM 136 O PHE A 13 1.076 -7.727 -10.158 1.00 0.00 O ATOM 137 CB PHE A 13 2.426 -5.938 -12.670 1.00 0.00 C ATOM 138 CG PHE A 13 1.868 -4.863 -11.781 1.00 0.00 C ATOM 139 CD1 PHE A 13 2.222 -4.800 -10.443 1.00 0.00 C ATOM 140 CD2 PHE A 13 0.990 -3.917 -12.283 1.00 0.00 C ATOM 141 CE1 PHE A 13 1.710 -3.813 -9.622 1.00 0.00 C ATOM 142 CE2 PHE A 13 0.476 -2.927 -11.468 1.00 0.00 C ATOM 143 CZ PHE A 13 0.835 -2.875 -10.135 1.00 0.00 C ATOM 0 H PHE A 13 3.525 -7.894 -13.745 1.00 0.00 H new ATOM 0 HA PHE A 13 3.313 -7.181 -11.157 1.00 0.00 H new ATOM 0 HB2 PHE A 13 3.394 -5.615 -13.053 1.00 0.00 H new ATOM 0 HB3 PHE A 13 1.769 -6.064 -13.531 1.00 0.00 H new ATOM 0 HD1 PHE A 13 2.906 -5.531 -10.037 1.00 0.00 H new ATOM 0 HD2 PHE A 13 0.704 -3.954 -13.324 1.00 0.00 H new ATOM 0 HE1 PHE A 13 1.994 -3.775 -8.581 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -0.206 -2.194 -11.873 1.00 0.00 H new ATOM 0 HZ PHE A 13 0.433 -2.103 -9.496 1.00 0.00 H new ATOM 153 N ASN A 14 0.329 -8.114 -12.244 1.00 0.00 N ATOM 154 CA ASN A 14 -0.988 -8.561 -11.807 1.00 0.00 C ATOM 155 C ASN A 14 -0.878 -9.805 -10.931 1.00 0.00 C ATOM 156 O ASN A 14 -1.672 -10.001 -10.011 1.00 0.00 O ATOM 157 CB ASN A 14 -1.878 -8.853 -13.017 1.00 0.00 C ATOM 158 CG ASN A 14 -1.982 -7.668 -13.958 1.00 0.00 C ATOM 159 OD1 ASN A 14 -2.717 -6.716 -13.696 1.00 0.00 O ATOM 160 ND2 ASN A 14 -1.244 -7.721 -15.060 1.00 0.00 N ATOM 0 H ASN A 14 0.464 -8.123 -13.255 1.00 0.00 H new ATOM 0 HA ASN A 14 -1.438 -7.762 -11.218 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -1.479 -9.710 -13.559 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -2.875 -9.129 -12.673 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -1.272 -6.953 -15.730 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -0.649 -8.530 -15.237 1.00 0.00 H new ATOM 167 N SER A 15 0.112 -10.643 -11.224 1.00 0.00 N ATOM 168 CA SER A 15 0.324 -11.870 -10.465 1.00 0.00 C ATOM 169 C SER A 15 0.929 -11.565 -9.098 1.00 0.00 C ATOM 170 O SER A 15 0.354 -11.902 -8.063 1.00 0.00 O ATOM 171 CB SER A 15 1.239 -12.821 -11.239 1.00 0.00 C ATOM 172 OG SER A 15 1.026 -14.166 -10.846 1.00 0.00 O ATOM 0 H SER A 15 0.779 -10.495 -11.981 1.00 0.00 H new ATOM 0 HA SER A 15 -0.644 -12.348 -10.316 1.00 0.00 H new ATOM 0 HB2 SER A 15 1.055 -12.718 -12.308 1.00 0.00 H new ATOM 0 HB3 SER A 15 2.280 -12.549 -11.067 1.00 0.00 H new ATOM 0 HG SER A 15 1.621 -14.754 -11.356 1.00 0.00 H new ATOM 178 N VAL A 16 2.094 -10.925 -9.102 1.00 0.00 N ATOM 179 CA VAL A 16 2.777 -10.573 -7.863 1.00 0.00 C ATOM 180 C VAL A 16 1.810 -9.962 -6.856 1.00 0.00 C ATOM 181 O VAL A 16 1.802 -10.335 -5.683 1.00 0.00 O ATOM 182 CB VAL A 16 3.929 -9.583 -8.119 1.00 0.00 C ATOM 183 CG1 VAL A 16 3.449 -8.413 -8.965 1.00 0.00 C ATOM 184 CG2 VAL A 16 4.514 -9.095 -6.803 1.00 0.00 C ATOM 0 H VAL A 16 2.584 -10.640 -9.950 1.00 0.00 H new ATOM 0 HA VAL A 16 3.186 -11.497 -7.454 1.00 0.00 H new ATOM 0 HB VAL A 16 4.715 -10.101 -8.670 1.00 0.00 H new ATOM 0 HG11 VAL A 16 4.276 -7.724 -9.136 1.00 0.00 H new ATOM 0 HG12 VAL A 16 3.081 -8.783 -9.922 1.00 0.00 H new ATOM 0 HG13 VAL A 16 2.645 -7.893 -8.444 1.00 0.00 H new ATOM 0 HG21 VAL A 16 5.327 -8.397 -7.003 1.00 0.00 H new ATOM 0 HG22 VAL A 16 3.739 -8.594 -6.224 1.00 0.00 H new ATOM 0 HG23 VAL A 16 4.897 -9.945 -6.238 1.00 0.00 H new ATOM 194 N ILE A 17 0.995 -9.021 -7.323 1.00 0.00 N ATOM 195 CA ILE A 17 0.022 -8.359 -6.463 1.00 0.00 C ATOM 196 C ILE A 17 -0.987 -9.357 -5.905 1.00 0.00 C ATOM 197 O ILE A 17 -1.213 -9.415 -4.697 1.00 0.00 O ATOM 198 CB ILE A 17 -0.733 -7.249 -7.218 1.00 0.00 C ATOM 199 CG1 ILE A 17 0.228 -6.127 -7.616 1.00 0.00 C ATOM 200 CG2 ILE A 17 -1.867 -6.704 -6.363 1.00 0.00 C ATOM 201 CD1 ILE A 17 0.989 -5.541 -6.447 1.00 0.00 C ATOM 0 H ILE A 17 0.990 -8.701 -8.291 1.00 0.00 H new ATOM 0 HA ILE A 17 0.580 -7.912 -5.640 1.00 0.00 H new ATOM 0 HB ILE A 17 -1.160 -7.674 -8.126 1.00 0.00 H new ATOM 0 HG12 ILE A 17 0.940 -6.511 -8.347 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -0.336 -5.334 -8.107 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -2.391 -5.920 -6.910 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -2.563 -7.509 -6.126 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -1.461 -6.292 -5.439 1.00 0.00 H new ATOM 0 HD11 ILE A 17 1.651 -4.752 -6.803 1.00 0.00 H new ATOM 0 HD12 ILE A 17 0.285 -5.126 -5.726 1.00 0.00 H new ATOM 0 HD13 ILE A 17 1.580 -6.322 -5.969 1.00 0.00 H new ATOM 213 N GLN A 18 -1.590 -10.140 -6.794 1.00 0.00 N ATOM 214 CA GLN A 18 -2.575 -11.136 -6.390 1.00 0.00 C ATOM 215 C GLN A 18 -1.971 -12.129 -5.403 1.00 0.00 C ATOM 216 O GLN A 18 -2.660 -12.635 -4.517 1.00 0.00 O ATOM 217 CB GLN A 18 -3.112 -11.879 -7.614 1.00 0.00 C ATOM 218 CG GLN A 18 -4.074 -11.053 -8.453 1.00 0.00 C ATOM 219 CD GLN A 18 -5.409 -10.838 -7.769 1.00 0.00 C ATOM 220 OE1 GLN A 18 -6.152 -11.788 -7.519 1.00 0.00 O ATOM 221 NE2 GLN A 18 -5.722 -9.585 -7.460 1.00 0.00 N ATOM 0 H GLN A 18 -1.414 -10.104 -7.798 1.00 0.00 H new ATOM 0 HA GLN A 18 -3.398 -10.617 -5.899 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -2.273 -12.189 -8.237 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -3.617 -12.787 -7.285 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -3.622 -10.085 -8.670 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -4.236 -11.551 -9.409 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -5.077 -8.828 -7.685 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -6.608 -9.380 -6.997 1.00 0.00 H new ATOM 230 N GLN A 19 -0.680 -12.404 -5.562 1.00 0.00 N ATOM 231 CA GLN A 19 0.016 -13.338 -4.685 1.00 0.00 C ATOM 232 C GLN A 19 0.262 -12.717 -3.314 1.00 0.00 C ATOM 233 O GLN A 19 0.109 -13.377 -2.286 1.00 0.00 O ATOM 234 CB GLN A 19 1.345 -13.764 -5.310 1.00 0.00 C ATOM 235 CG GLN A 19 1.185 -14.670 -6.521 1.00 0.00 C ATOM 236 CD GLN A 19 2.502 -15.255 -6.990 1.00 0.00 C ATOM 237 OE1 GLN A 19 3.365 -14.541 -7.502 1.00 0.00 O ATOM 238 NE2 GLN A 19 2.665 -16.562 -6.817 1.00 0.00 N ATOM 0 H GLN A 19 -0.095 -11.993 -6.290 1.00 0.00 H new ATOM 0 HA GLN A 19 -0.616 -14.217 -4.558 1.00 0.00 H new ATOM 0 HB2 GLN A 19 1.901 -12.874 -5.604 1.00 0.00 H new ATOM 0 HB3 GLN A 19 1.942 -14.279 -4.558 1.00 0.00 H new ATOM 0 HG2 GLN A 19 0.499 -15.480 -6.275 1.00 0.00 H new ATOM 0 HG3 GLN A 19 0.732 -14.105 -7.336 1.00 0.00 H new ATOM 0 HE21 GLN A 19 1.924 -17.116 -6.388 1.00 0.00 H new ATOM 0 HE22 GLN A 19 3.532 -17.011 -7.113 1.00 0.00 H new ATOM 247 N MET A 20 0.643 -11.444 -3.306 1.00 0.00 N ATOM 248 CA MET A 20 0.909 -10.733 -2.060 1.00 0.00 C ATOM 249 C MET A 20 -0.382 -10.501 -1.281 1.00 0.00 C ATOM 250 O MET A 20 -0.398 -10.578 -0.053 1.00 0.00 O ATOM 251 CB MET A 20 1.593 -9.395 -2.347 1.00 0.00 C ATOM 252 CG MET A 20 2.897 -9.532 -3.116 1.00 0.00 C ATOM 253 SD MET A 20 3.245 -8.100 -4.154 1.00 0.00 S ATOM 254 CE MET A 20 4.021 -7.003 -2.968 1.00 0.00 C ATOM 0 H MET A 20 0.775 -10.883 -4.148 1.00 0.00 H new ATOM 0 HA MET A 20 1.573 -11.349 -1.454 1.00 0.00 H new ATOM 0 HB2 MET A 20 0.911 -8.762 -2.914 1.00 0.00 H new ATOM 0 HB3 MET A 20 1.789 -8.887 -1.403 1.00 0.00 H new ATOM 0 HG2 MET A 20 3.717 -9.673 -2.411 1.00 0.00 H new ATOM 0 HG3 MET A 20 2.855 -10.426 -3.739 1.00 0.00 H new ATOM 0 HE1 MET A 20 4.544 -6.206 -3.497 1.00 0.00 H new ATOM 0 HE2 MET A 20 3.259 -6.569 -2.321 1.00 0.00 H new ATOM 0 HE3 MET A 20 4.733 -7.565 -2.364 1.00 0.00 H new ATOM 264 N ALA A 21 -1.461 -10.216 -2.002 1.00 0.00 N ATOM 265 CA ALA A 21 -2.755 -9.975 -1.378 1.00 0.00 C ATOM 266 C ALA A 21 -3.291 -11.240 -0.717 1.00 0.00 C ATOM 267 O ALA A 21 -3.943 -11.179 0.324 1.00 0.00 O ATOM 268 CB ALA A 21 -3.748 -9.453 -2.406 1.00 0.00 C ATOM 0 H ALA A 21 -1.464 -10.146 -3.020 1.00 0.00 H new ATOM 0 HA ALA A 21 -2.621 -9.221 -0.603 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -4.711 -9.277 -1.926 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -3.377 -8.519 -2.828 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -3.868 -10.188 -3.202 1.00 0.00 H new ATOM 274 N GLN A 22 -3.012 -12.386 -1.331 1.00 0.00 N ATOM 275 CA GLN A 22 -3.468 -13.666 -0.802 1.00 0.00 C ATOM 276 C GLN A 22 -4.989 -13.700 -0.693 1.00 0.00 C ATOM 277 O GLN A 22 -5.540 -14.185 0.294 1.00 0.00 O ATOM 278 CB GLN A 22 -2.841 -13.928 0.568 1.00 0.00 C ATOM 279 CG GLN A 22 -1.325 -13.813 0.576 1.00 0.00 C ATOM 280 CD GLN A 22 -0.640 -15.111 0.196 1.00 0.00 C ATOM 281 OE1 GLN A 22 -1.296 -16.120 -0.064 1.00 0.00 O ATOM 282 NE2 GLN A 22 0.687 -15.092 0.161 1.00 0.00 N ATOM 0 H GLN A 22 -2.473 -12.454 -2.194 1.00 0.00 H new ATOM 0 HA GLN A 22 -3.154 -14.448 -1.493 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -3.254 -13.222 1.288 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -3.123 -14.926 0.902 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -1.020 -13.029 -0.117 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -0.993 -13.508 1.568 1.00 0.00 H new ATOM 0 HE21 GLN A 22 1.191 -14.234 0.384 1.00 0.00 H new ATOM 0 HE22 GLN A 22 1.203 -15.936 -0.089 1.00 0.00 H new ATOM 291 N GLY A 23 -5.662 -13.179 -1.715 1.00 0.00 N ATOM 292 CA GLY A 23 -7.113 -13.159 -1.714 1.00 0.00 C ATOM 293 C GLY A 23 -7.675 -11.872 -1.143 1.00 0.00 C ATOM 294 O GLY A 23 -8.773 -11.451 -1.507 1.00 0.00 O ATOM 0 H GLY A 23 -5.228 -12.771 -2.543 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -7.476 -13.289 -2.734 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -7.484 -14.003 -1.133 1.00 0.00 H new ATOM 298 N ARG A 24 -6.921 -11.246 -0.245 1.00 0.00 N ATOM 299 CA ARG A 24 -7.351 -10.001 0.380 1.00 0.00 C ATOM 300 C ARG A 24 -7.890 -9.027 -0.664 1.00 0.00 C ATOM 301 O ARG A 24 -7.315 -8.877 -1.741 1.00 0.00 O ATOM 302 CB ARG A 24 -6.190 -9.359 1.141 1.00 0.00 C ATOM 303 CG ARG A 24 -5.884 -10.034 2.468 1.00 0.00 C ATOM 304 CD ARG A 24 -4.730 -9.353 3.187 1.00 0.00 C ATOM 305 NE ARG A 24 -3.440 -9.933 2.824 1.00 0.00 N ATOM 306 CZ ARG A 24 -2.284 -9.292 2.954 1.00 0.00 C ATOM 307 NH1 ARG A 24 -2.256 -8.057 3.436 1.00 0.00 N ATOM 308 NH2 ARG A 24 -1.151 -9.887 2.602 1.00 0.00 N ATOM 0 H ARG A 24 -6.009 -11.581 0.066 1.00 0.00 H new ATOM 0 HA ARG A 24 -8.151 -10.234 1.082 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -5.298 -9.385 0.515 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -6.421 -8.309 1.322 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -6.771 -10.013 3.101 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -5.639 -11.082 2.296 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -4.730 -8.290 2.946 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -4.875 -9.436 4.264 1.00 0.00 H new ATOM 0 HE ARG A 24 -3.426 -10.882 2.450 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -3.124 -7.596 3.708 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -1.366 -7.568 3.534 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -1.168 -10.837 2.231 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -0.264 -9.394 2.702 1.00 0.00 H new ATOM 322 N GLN A 25 -8.997 -8.369 -0.336 1.00 0.00 N ATOM 323 CA GLN A 25 -9.613 -7.411 -1.246 1.00 0.00 C ATOM 324 C GLN A 25 -8.669 -6.249 -1.534 1.00 0.00 C ATOM 325 O GLN A 25 -8.343 -5.465 -0.642 1.00 0.00 O ATOM 326 CB GLN A 25 -10.923 -6.885 -0.656 1.00 0.00 C ATOM 327 CG GLN A 25 -11.266 -5.472 -1.100 1.00 0.00 C ATOM 328 CD GLN A 25 -12.558 -4.965 -0.489 1.00 0.00 C ATOM 329 OE1 GLN A 25 -12.928 -5.355 0.619 1.00 0.00 O ATOM 330 NE2 GLN A 25 -13.252 -4.092 -1.210 1.00 0.00 N ATOM 0 H GLN A 25 -9.485 -8.482 0.552 1.00 0.00 H new ATOM 0 HA GLN A 25 -9.825 -7.924 -2.184 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -11.735 -7.554 -0.942 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -10.858 -6.909 0.432 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -10.451 -4.801 -0.826 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -11.348 -5.447 -2.187 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -12.907 -3.797 -2.123 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -14.130 -3.717 -0.850 1.00 0.00 H new ATOM 339 N ILE A 26 -8.232 -6.144 -2.785 1.00 0.00 N ATOM 340 CA ILE A 26 -7.326 -5.077 -3.190 1.00 0.00 C ATOM 341 C ILE A 26 -8.097 -3.828 -3.604 1.00 0.00 C ATOM 342 O ILE A 26 -9.155 -3.918 -4.225 1.00 0.00 O ATOM 343 CB ILE A 26 -6.422 -5.518 -4.356 1.00 0.00 C ATOM 344 CG1 ILE A 26 -5.730 -6.841 -4.021 1.00 0.00 C ATOM 345 CG2 ILE A 26 -5.394 -4.441 -4.667 1.00 0.00 C ATOM 346 CD1 ILE A 26 -5.048 -7.484 -5.208 1.00 0.00 C ATOM 0 H ILE A 26 -8.491 -6.785 -3.535 1.00 0.00 H new ATOM 0 HA ILE A 26 -6.704 -4.847 -2.325 1.00 0.00 H new ATOM 0 HB ILE A 26 -7.042 -5.667 -5.240 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -4.992 -6.667 -3.238 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -6.467 -7.535 -3.616 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -4.763 -4.768 -5.493 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -5.905 -3.519 -4.944 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -4.776 -4.263 -3.787 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -4.579 -8.417 -4.897 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -5.785 -7.690 -5.984 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -4.287 -6.809 -5.600 1.00 0.00 H new ATOM 358 N GLU A 27 -7.557 -2.664 -3.256 1.00 0.00 N ATOM 359 CA GLU A 27 -8.194 -1.396 -3.593 1.00 0.00 C ATOM 360 C GLU A 27 -7.164 -0.382 -4.083 1.00 0.00 C ATOM 361 O GLU A 27 -6.162 -0.127 -3.415 1.00 0.00 O ATOM 362 CB GLU A 27 -8.940 -0.836 -2.380 1.00 0.00 C ATOM 363 CG GLU A 27 -10.330 -1.421 -2.197 1.00 0.00 C ATOM 364 CD GLU A 27 -11.308 -0.939 -3.251 1.00 0.00 C ATOM 365 OE1 GLU A 27 -10.853 -0.539 -4.343 1.00 0.00 O ATOM 366 OE2 GLU A 27 -12.528 -0.963 -2.985 1.00 0.00 O ATOM 0 H GLU A 27 -6.681 -2.573 -2.741 1.00 0.00 H new ATOM 0 HA GLU A 27 -8.907 -1.580 -4.396 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -8.353 -1.029 -1.482 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -9.021 0.246 -2.482 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -10.270 -2.509 -2.232 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -10.705 -1.154 -1.209 1.00 0.00 H new ATOM 373 N TYR A 28 -7.418 0.192 -5.254 1.00 0.00 N ATOM 374 CA TYR A 28 -6.512 1.175 -5.836 1.00 0.00 C ATOM 375 C TYR A 28 -6.660 2.527 -5.145 1.00 0.00 C ATOM 376 O TYR A 28 -7.599 3.276 -5.417 1.00 0.00 O ATOM 377 CB TYR A 28 -6.781 1.323 -7.334 1.00 0.00 C ATOM 378 CG TYR A 28 -7.069 0.012 -8.030 1.00 0.00 C ATOM 379 CD1 TYR A 28 -6.117 -0.999 -8.071 1.00 0.00 C ATOM 380 CD2 TYR A 28 -8.292 -0.216 -8.648 1.00 0.00 C ATOM 381 CE1 TYR A 28 -6.375 -2.198 -8.706 1.00 0.00 C ATOM 382 CE2 TYR A 28 -8.560 -1.412 -9.284 1.00 0.00 C ATOM 383 CZ TYR A 28 -7.598 -2.400 -9.311 1.00 0.00 C ATOM 384 OH TYR A 28 -7.860 -3.593 -9.945 1.00 0.00 O ATOM 0 H TYR A 28 -8.244 -0.007 -5.819 1.00 0.00 H new ATOM 0 HA TYR A 28 -5.491 0.822 -5.690 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -7.627 1.995 -7.478 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -5.918 1.793 -7.805 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -5.158 -0.845 -7.598 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -9.047 0.556 -8.631 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -5.623 -2.973 -8.729 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -9.517 -1.573 -9.758 1.00 0.00 H new ATOM 0 HH TYR A 28 -8.766 -3.573 -10.318 1.00 0.00 H new ATOM 394 N ILE A 29 -5.726 2.833 -4.251 1.00 0.00 N ATOM 395 CA ILE A 29 -5.750 4.095 -3.522 1.00 0.00 C ATOM 396 C ILE A 29 -4.907 5.153 -4.227 1.00 0.00 C ATOM 397 O ILE A 29 -3.678 5.127 -4.161 1.00 0.00 O ATOM 398 CB ILE A 29 -5.238 3.923 -2.081 1.00 0.00 C ATOM 399 CG1 ILE A 29 -6.020 2.819 -1.367 1.00 0.00 C ATOM 400 CG2 ILE A 29 -5.348 5.235 -1.319 1.00 0.00 C ATOM 401 CD1 ILE A 29 -7.481 3.151 -1.158 1.00 0.00 C ATOM 0 H ILE A 29 -4.943 2.224 -4.014 1.00 0.00 H new ATOM 0 HA ILE A 29 -6.789 4.422 -3.492 1.00 0.00 H new ATOM 0 HB ILE A 29 -4.188 3.634 -2.117 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -5.944 1.899 -1.946 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -5.558 2.625 -0.399 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -4.982 5.097 -0.302 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -4.751 5.997 -1.819 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -6.390 5.552 -1.290 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -7.973 2.323 -0.646 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -7.566 4.054 -0.553 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -7.959 3.315 -2.124 1.00 0.00 H new ATOM 413 N ASP A 30 -5.576 6.083 -4.899 1.00 0.00 N ATOM 414 CA ASP A 30 -4.889 7.153 -5.614 1.00 0.00 C ATOM 415 C ASP A 30 -4.731 8.384 -4.728 1.00 0.00 C ATOM 416 O ASP A 30 -5.665 8.783 -4.031 1.00 0.00 O ATOM 417 CB ASP A 30 -5.654 7.519 -6.886 1.00 0.00 C ATOM 418 CG ASP A 30 -5.061 8.722 -7.593 1.00 0.00 C ATOM 419 OD1 ASP A 30 -3.822 8.776 -7.732 1.00 0.00 O ATOM 420 OD2 ASP A 30 -5.836 9.610 -8.005 1.00 0.00 O ATOM 0 H ASP A 30 -6.593 6.118 -4.964 1.00 0.00 H new ATOM 0 HA ASP A 30 -3.897 6.795 -5.887 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -5.654 6.666 -7.565 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -6.694 7.726 -6.634 1.00 0.00 H new ATOM 425 N ILE A 31 -3.545 8.982 -4.759 1.00 0.00 N ATOM 426 CA ILE A 31 -3.265 10.168 -3.959 1.00 0.00 C ATOM 427 C ILE A 31 -2.600 11.253 -4.798 1.00 0.00 C ATOM 428 O ILE A 31 -1.635 10.991 -5.515 1.00 0.00 O ATOM 429 CB ILE A 31 -2.361 9.836 -2.757 1.00 0.00 C ATOM 430 CG1 ILE A 31 -3.072 8.871 -1.807 1.00 0.00 C ATOM 431 CG2 ILE A 31 -1.962 11.110 -2.027 1.00 0.00 C ATOM 432 CD1 ILE A 31 -2.168 8.304 -0.734 1.00 0.00 C ATOM 0 H ILE A 31 -2.762 8.664 -5.330 1.00 0.00 H new ATOM 0 HA ILE A 31 -4.224 10.534 -3.591 1.00 0.00 H new ATOM 0 HB ILE A 31 -1.456 9.352 -3.124 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -3.905 9.389 -1.332 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -3.495 8.050 -2.386 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -1.323 10.859 -1.180 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -1.420 11.765 -2.709 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -2.857 11.619 -1.669 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -2.739 7.628 -0.097 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -1.348 7.757 -1.200 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -1.765 9.117 -0.131 1.00 0.00 H new ATOM 444 N GLU A 32 -3.122 12.472 -4.702 1.00 0.00 N ATOM 445 CA GLU A 32 -2.576 13.597 -5.452 1.00 0.00 C ATOM 446 C GLU A 32 -1.471 14.293 -4.662 1.00 0.00 C ATOM 447 O GLU A 32 -1.742 15.123 -3.795 1.00 0.00 O ATOM 448 CB GLU A 32 -3.684 14.597 -5.790 1.00 0.00 C ATOM 449 CG GLU A 32 -4.399 14.294 -7.096 1.00 0.00 C ATOM 450 CD GLU A 32 -5.099 15.510 -7.673 1.00 0.00 C ATOM 451 OE1 GLU A 32 -4.420 16.532 -7.904 1.00 0.00 O ATOM 452 OE2 GLU A 32 -6.326 15.438 -7.894 1.00 0.00 O ATOM 0 H GLU A 32 -3.921 12.705 -4.113 1.00 0.00 H new ATOM 0 HA GLU A 32 -2.149 13.211 -6.378 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -4.413 14.606 -4.980 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -3.255 15.598 -5.844 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -3.679 13.916 -7.821 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -5.130 13.503 -6.931 1.00 0.00 H new ATOM 459 N ARG A 33 -0.225 13.946 -4.969 1.00 0.00 N ATOM 460 CA ARG A 33 0.921 14.535 -4.288 1.00 0.00 C ATOM 461 C ARG A 33 0.784 16.053 -4.205 1.00 0.00 C ATOM 462 O ARG A 33 0.622 16.742 -5.212 1.00 0.00 O ATOM 463 CB ARG A 33 2.217 14.169 -5.014 1.00 0.00 C ATOM 464 CG ARG A 33 2.843 12.873 -4.526 1.00 0.00 C ATOM 465 CD ARG A 33 3.771 13.112 -3.346 1.00 0.00 C ATOM 466 NE ARG A 33 4.998 13.796 -3.744 1.00 0.00 N ATOM 467 CZ ARG A 33 5.737 14.522 -2.913 1.00 0.00 C ATOM 468 NH1 ARG A 33 5.375 14.658 -1.644 1.00 0.00 N ATOM 469 NH2 ARG A 33 6.842 15.114 -3.350 1.00 0.00 N ATOM 0 H ARG A 33 0.016 13.260 -5.685 1.00 0.00 H new ATOM 0 HA ARG A 33 0.954 14.134 -3.275 1.00 0.00 H new ATOM 0 HB2 ARG A 33 2.014 14.085 -6.082 1.00 0.00 H new ATOM 0 HB3 ARG A 33 2.935 14.979 -4.889 1.00 0.00 H new ATOM 0 HG2 ARG A 33 2.058 12.175 -4.237 1.00 0.00 H new ATOM 0 HG3 ARG A 33 3.400 12.408 -5.340 1.00 0.00 H new ATOM 0 HD2 ARG A 33 3.253 13.705 -2.592 1.00 0.00 H new ATOM 0 HD3 ARG A 33 4.022 12.158 -2.883 1.00 0.00 H new ATOM 0 HE ARG A 33 5.304 13.712 -4.713 1.00 0.00 H new ATOM 0 HH11 ARG A 33 4.527 14.204 -1.304 1.00 0.00 H new ATOM 0 HH12 ARG A 33 5.945 15.216 -1.008 1.00 0.00 H new ATOM 0 HH21 ARG A 33 7.124 15.011 -4.325 1.00 0.00 H new ATOM 0 HH22 ARG A 33 7.409 15.671 -2.711 1.00 0.00 H new ATOM 536 N LEU A 39 2.172 13.577 1.539 1.00 0.00 N ATOM 537 CA LEU A 39 1.137 12.567 1.348 1.00 0.00 C ATOM 538 C LEU A 39 0.060 12.681 2.423 1.00 0.00 C ATOM 539 O LEU A 39 -1.127 12.519 2.146 1.00 0.00 O ATOM 540 CB LEU A 39 1.752 11.167 1.372 1.00 0.00 C ATOM 541 CG LEU A 39 3.199 11.061 0.888 1.00 0.00 C ATOM 542 CD1 LEU A 39 3.656 9.611 0.887 1.00 0.00 C ATOM 543 CD2 LEU A 39 3.342 11.668 -0.500 1.00 0.00 C ATOM 0 HA LEU A 39 0.674 12.736 0.376 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.703 10.788 2.393 1.00 0.00 H new ATOM 0 HB3 LEU A 39 1.136 10.511 0.758 1.00 0.00 H new ATOM 0 HG LEU A 39 3.834 11.620 1.575 1.00 0.00 H new ATOM 0 HD11 LEU A 39 4.688 9.555 0.540 1.00 0.00 H new ATOM 0 HD12 LEU A 39 3.591 9.208 1.898 1.00 0.00 H new ATOM 0 HD13 LEU A 39 3.017 9.029 0.223 1.00 0.00 H new ATOM 0 HD21 LEU A 39 4.378 11.584 -0.829 1.00 0.00 H new ATOM 0 HD22 LEU A 39 2.695 11.136 -1.198 1.00 0.00 H new ATOM 0 HD23 LEU A 39 3.055 12.719 -0.469 1.00 0.00 H new ATOM 555 N GLY A 40 0.485 12.962 3.651 1.00 0.00 N ATOM 556 CA GLY A 40 -0.455 13.094 4.749 1.00 0.00 C ATOM 557 C GLY A 40 -0.696 11.782 5.467 1.00 0.00 C ATOM 558 O GLY A 40 -1.588 11.682 6.310 1.00 0.00 O ATOM 0 H GLY A 40 1.463 13.101 3.905 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -0.078 13.829 5.460 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -1.402 13.475 4.368 1.00 0.00 H new ATOM 562 N PHE A 41 0.099 10.771 5.132 1.00 0.00 N ATOM 563 CA PHE A 41 -0.035 9.457 5.750 1.00 0.00 C ATOM 564 C PHE A 41 1.334 8.825 5.984 1.00 0.00 C ATOM 565 O PHE A 41 2.181 8.803 5.091 1.00 0.00 O ATOM 566 CB PHE A 41 -0.888 8.540 4.870 1.00 0.00 C ATOM 567 CG PHE A 41 -0.137 7.956 3.708 1.00 0.00 C ATOM 568 CD1 PHE A 41 0.740 6.899 3.894 1.00 0.00 C ATOM 569 CD2 PHE A 41 -0.308 8.462 2.430 1.00 0.00 C ATOM 570 CE1 PHE A 41 1.433 6.360 2.827 1.00 0.00 C ATOM 571 CE2 PHE A 41 0.382 7.927 1.359 1.00 0.00 C ATOM 572 CZ PHE A 41 1.252 6.873 1.557 1.00 0.00 C ATOM 0 H PHE A 41 0.842 10.836 4.437 1.00 0.00 H new ATOM 0 HA PHE A 41 -0.527 9.585 6.714 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -1.284 7.729 5.481 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -1.743 9.102 4.494 1.00 0.00 H new ATOM 0 HD1 PHE A 41 0.883 6.492 4.884 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -0.989 9.285 2.269 1.00 0.00 H new ATOM 0 HE1 PHE A 41 2.116 5.538 2.986 1.00 0.00 H new ATOM 0 HE2 PHE A 41 0.241 8.333 0.368 1.00 0.00 H new ATOM 0 HZ PHE A 41 1.790 6.451 0.721 1.00 0.00 H new ATOM 582 N SER A 42 1.543 8.312 7.193 1.00 0.00 N ATOM 583 CA SER A 42 2.810 7.683 7.547 1.00 0.00 C ATOM 584 C SER A 42 2.778 6.188 7.245 1.00 0.00 C ATOM 585 O SER A 42 1.715 5.612 7.016 1.00 0.00 O ATOM 586 CB SER A 42 3.119 7.909 9.029 1.00 0.00 C ATOM 587 OG SER A 42 3.513 9.249 9.269 1.00 0.00 O ATOM 0 H SER A 42 0.852 8.320 7.943 1.00 0.00 H new ATOM 0 HA SER A 42 3.595 8.141 6.945 1.00 0.00 H new ATOM 0 HB2 SER A 42 2.239 7.673 9.627 1.00 0.00 H new ATOM 0 HB3 SER A 42 3.912 7.231 9.346 1.00 0.00 H new ATOM 0 HG SER A 42 3.703 9.368 10.223 1.00 0.00 H new ATOM 593 N VAL A 43 3.953 5.565 7.247 1.00 0.00 N ATOM 594 CA VAL A 43 4.061 4.136 6.974 1.00 0.00 C ATOM 595 C VAL A 43 5.014 3.461 7.954 1.00 0.00 C ATOM 596 O VAL A 43 5.990 4.062 8.401 1.00 0.00 O ATOM 597 CB VAL A 43 4.548 3.875 5.537 1.00 0.00 C ATOM 598 CG1 VAL A 43 3.511 4.344 4.527 1.00 0.00 C ATOM 599 CG2 VAL A 43 5.886 4.557 5.296 1.00 0.00 C ATOM 0 H VAL A 43 4.843 6.027 7.434 1.00 0.00 H new ATOM 0 HA VAL A 43 3.063 3.714 7.093 1.00 0.00 H new ATOM 0 HB VAL A 43 4.685 2.801 5.408 1.00 0.00 H new ATOM 0 HG11 VAL A 43 3.873 4.151 3.517 1.00 0.00 H new ATOM 0 HG12 VAL A 43 2.577 3.804 4.687 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.338 5.413 4.652 1.00 0.00 H new ATOM 0 HG21 VAL A 43 6.215 4.362 4.275 1.00 0.00 H new ATOM 0 HG22 VAL A 43 5.778 5.632 5.443 1.00 0.00 H new ATOM 0 HG23 VAL A 43 6.625 4.167 5.996 1.00 0.00 H new ATOM 609 N VAL A 44 4.724 2.206 8.282 1.00 0.00 N ATOM 610 CA VAL A 44 5.557 1.446 9.207 1.00 0.00 C ATOM 611 C VAL A 44 6.183 0.238 8.519 1.00 0.00 C ATOM 612 O VAL A 44 5.510 -0.493 7.794 1.00 0.00 O ATOM 613 CB VAL A 44 4.747 0.966 10.426 1.00 0.00 C ATOM 614 CG1 VAL A 44 4.537 2.106 11.411 1.00 0.00 C ATOM 615 CG2 VAL A 44 3.414 0.381 9.983 1.00 0.00 C ATOM 0 H VAL A 44 3.919 1.694 7.921 1.00 0.00 H new ATOM 0 HA VAL A 44 6.347 2.117 9.545 1.00 0.00 H new ATOM 0 HB VAL A 44 5.313 0.182 10.930 1.00 0.00 H new ATOM 0 HG11 VAL A 44 3.963 1.748 12.265 1.00 0.00 H new ATOM 0 HG12 VAL A 44 5.504 2.474 11.753 1.00 0.00 H new ATOM 0 HG13 VAL A 44 3.993 2.914 10.922 1.00 0.00 H new ATOM 0 HG21 VAL A 44 2.855 0.047 10.857 1.00 0.00 H new ATOM 0 HG22 VAL A 44 2.840 1.142 9.454 1.00 0.00 H new ATOM 0 HG23 VAL A 44 3.591 -0.466 9.320 1.00 0.00 H new ATOM 625 N ALA A 45 7.476 0.036 8.752 1.00 0.00 N ATOM 626 CA ALA A 45 8.193 -1.085 8.156 1.00 0.00 C ATOM 627 C ALA A 45 8.184 -2.296 9.082 1.00 0.00 C ATOM 628 O ALA A 45 8.745 -2.257 10.178 1.00 0.00 O ATOM 629 CB ALA A 45 9.622 -0.681 7.826 1.00 0.00 C ATOM 0 H ALA A 45 8.048 0.634 9.349 1.00 0.00 H new ATOM 0 HA ALA A 45 7.683 -1.362 7.233 1.00 0.00 H new ATOM 0 HB1 ALA A 45 10.146 -1.527 7.382 1.00 0.00 H new ATOM 0 HB2 ALA A 45 9.612 0.150 7.121 1.00 0.00 H new ATOM 0 HB3 ALA A 45 10.134 -0.376 8.739 1.00 0.00 H new ATOM 635 N LEU A 46 7.543 -3.371 8.636 1.00 0.00 N ATOM 636 CA LEU A 46 7.461 -4.595 9.425 1.00 0.00 C ATOM 637 C LEU A 46 7.728 -5.821 8.558 1.00 0.00 C ATOM 638 O LEU A 46 6.969 -6.119 7.636 1.00 0.00 O ATOM 639 CB LEU A 46 6.083 -4.711 10.081 1.00 0.00 C ATOM 640 CG LEU A 46 5.667 -3.544 10.978 1.00 0.00 C ATOM 641 CD1 LEU A 46 4.169 -3.580 11.239 1.00 0.00 C ATOM 642 CD2 LEU A 46 6.439 -3.577 12.288 1.00 0.00 C ATOM 0 H LEU A 46 7.073 -3.420 7.732 1.00 0.00 H new ATOM 0 HA LEU A 46 8.224 -4.549 10.202 1.00 0.00 H new ATOM 0 HB2 LEU A 46 5.337 -4.823 9.295 1.00 0.00 H new ATOM 0 HB3 LEU A 46 6.061 -5.625 10.674 1.00 0.00 H new ATOM 0 HG LEU A 46 5.904 -2.613 10.464 1.00 0.00 H new ATOM 0 HD11 LEU A 46 3.891 -2.743 11.879 1.00 0.00 H new ATOM 0 HD12 LEU A 46 3.633 -3.507 10.293 1.00 0.00 H new ATOM 0 HD13 LEU A 46 3.908 -4.516 11.733 1.00 0.00 H new ATOM 0 HD21 LEU A 46 6.130 -2.740 12.914 1.00 0.00 H new ATOM 0 HD22 LEU A 46 6.234 -4.513 12.808 1.00 0.00 H new ATOM 0 HD23 LEU A 46 7.507 -3.502 12.083 1.00 0.00 H new ATOM 654 N ARG A 47 8.811 -6.530 8.862 1.00 0.00 N ATOM 655 CA ARG A 47 9.178 -7.724 8.111 1.00 0.00 C ATOM 656 C ARG A 47 7.958 -8.606 7.863 1.00 0.00 C ATOM 657 O ARG A 47 7.292 -9.041 8.802 1.00 0.00 O ATOM 658 CB ARG A 47 10.248 -8.517 8.864 1.00 0.00 C ATOM 659 CG ARG A 47 11.216 -9.252 7.951 1.00 0.00 C ATOM 660 CD ARG A 47 10.666 -10.606 7.530 1.00 0.00 C ATOM 661 NE ARG A 47 10.460 -11.491 8.673 1.00 0.00 N ATOM 662 CZ ARG A 47 10.444 -12.816 8.583 1.00 0.00 C ATOM 663 NH1 ARG A 47 10.622 -13.406 7.409 1.00 0.00 N ATOM 664 NH2 ARG A 47 10.250 -13.554 9.669 1.00 0.00 N ATOM 0 H ARG A 47 9.449 -6.298 9.623 1.00 0.00 H new ATOM 0 HA ARG A 47 9.579 -7.408 7.148 1.00 0.00 H new ATOM 0 HB2 ARG A 47 10.810 -7.836 9.503 1.00 0.00 H new ATOM 0 HB3 ARG A 47 9.760 -9.239 9.519 1.00 0.00 H new ATOM 0 HG2 ARG A 47 11.414 -8.647 7.066 1.00 0.00 H new ATOM 0 HG3 ARG A 47 12.169 -9.388 8.463 1.00 0.00 H new ATOM 0 HD2 ARG A 47 9.721 -10.466 7.005 1.00 0.00 H new ATOM 0 HD3 ARG A 47 11.355 -11.075 6.828 1.00 0.00 H new ATOM 0 HE ARG A 47 10.321 -11.068 9.591 1.00 0.00 H new ATOM 0 HH11 ARG A 47 10.772 -12.842 6.572 1.00 0.00 H new ATOM 0 HH12 ARG A 47 10.609 -14.424 7.343 1.00 0.00 H new ATOM 0 HH21 ARG A 47 10.113 -13.104 10.574 1.00 0.00 H new ATOM 0 HH22 ARG A 47 10.238 -14.572 9.599 1.00 0.00 H new ATOM 678 N SER A 48 7.670 -8.866 6.591 1.00 0.00 N ATOM 679 CA SER A 48 6.528 -9.692 6.219 1.00 0.00 C ATOM 680 C SER A 48 6.714 -11.127 6.704 1.00 0.00 C ATOM 681 O SER A 48 7.823 -11.539 7.042 1.00 0.00 O ATOM 682 CB SER A 48 6.333 -9.676 4.701 1.00 0.00 C ATOM 683 OG SER A 48 4.963 -9.806 4.362 1.00 0.00 O ATOM 0 H SER A 48 8.212 -8.516 5.801 1.00 0.00 H new ATOM 0 HA SER A 48 5.640 -9.278 6.697 1.00 0.00 H new ATOM 0 HB2 SER A 48 6.726 -8.746 4.290 1.00 0.00 H new ATOM 0 HB3 SER A 48 6.901 -10.489 4.249 1.00 0.00 H new ATOM 0 HG SER A 48 4.733 -9.150 3.671 1.00 0.00 H new ATOM 689 N GLN A 49 5.620 -11.881 6.735 1.00 0.00 N ATOM 690 CA GLN A 49 5.662 -13.269 7.179 1.00 0.00 C ATOM 691 C GLN A 49 5.808 -14.216 5.992 1.00 0.00 C ATOM 692 O GLN A 49 5.213 -15.293 5.969 1.00 0.00 O ATOM 693 CB GLN A 49 4.398 -13.612 7.969 1.00 0.00 C ATOM 694 CG GLN A 49 3.112 -13.344 7.205 1.00 0.00 C ATOM 695 CD GLN A 49 1.875 -13.741 7.987 1.00 0.00 C ATOM 696 OE1 GLN A 49 1.721 -13.379 9.153 1.00 0.00 O ATOM 697 NE2 GLN A 49 0.985 -14.490 7.347 1.00 0.00 N ATOM 0 H GLN A 49 4.694 -11.554 6.458 1.00 0.00 H new ATOM 0 HA GLN A 49 6.530 -13.391 7.826 1.00 0.00 H new ATOM 0 HB2 GLN A 49 4.430 -14.664 8.251 1.00 0.00 H new ATOM 0 HB3 GLN A 49 4.389 -13.034 8.893 1.00 0.00 H new ATOM 0 HG2 GLN A 49 3.056 -12.284 6.957 1.00 0.00 H new ATOM 0 HG3 GLN A 49 3.133 -13.892 6.263 1.00 0.00 H new ATOM 0 HE21 GLN A 49 1.153 -14.767 6.380 1.00 0.00 H new ATOM 0 HE22 GLN A 49 0.133 -14.788 7.822 1.00 0.00 H new ATOM 706 N ASN A 50 6.602 -13.807 5.008 1.00 0.00 N ATOM 707 CA ASN A 50 6.824 -14.619 3.817 1.00 0.00 C ATOM 708 C ASN A 50 8.283 -15.054 3.720 1.00 0.00 C ATOM 709 O ASN A 50 8.623 -16.197 4.029 1.00 0.00 O ATOM 710 CB ASN A 50 6.428 -13.839 2.562 1.00 0.00 C ATOM 711 CG ASN A 50 4.943 -13.928 2.270 1.00 0.00 C ATOM 712 OD1 ASN A 50 4.321 -14.971 2.470 1.00 0.00 O ATOM 713 ND2 ASN A 50 4.367 -12.830 1.794 1.00 0.00 N ATOM 0 H ASN A 50 7.102 -12.918 5.012 1.00 0.00 H new ATOM 0 HA ASN A 50 6.202 -15.511 3.894 1.00 0.00 H new ATOM 0 HB2 ASN A 50 6.709 -12.793 2.684 1.00 0.00 H new ATOM 0 HB3 ASN A 50 6.987 -14.222 1.708 1.00 0.00 H new ATOM 0 HD21 ASN A 50 3.370 -12.829 1.579 1.00 0.00 H new ATOM 0 HD22 ASN A 50 4.922 -11.987 1.644 1.00 0.00 H new ATOM 720 N LEU A 51 9.141 -14.136 3.291 1.00 0.00 N ATOM 721 CA LEU A 51 10.565 -14.424 3.154 1.00 0.00 C ATOM 722 C LEU A 51 11.331 -13.182 2.711 1.00 0.00 C ATOM 723 O LEU A 51 10.932 -12.495 1.771 1.00 0.00 O ATOM 724 CB LEU A 51 10.782 -15.556 2.149 1.00 0.00 C ATOM 725 CG LEU A 51 10.973 -15.134 0.692 1.00 0.00 C ATOM 726 CD1 LEU A 51 9.832 -14.235 0.243 1.00 0.00 C ATOM 727 CD2 LEU A 51 12.311 -14.430 0.512 1.00 0.00 C ATOM 0 H LEU A 51 8.876 -13.186 3.032 1.00 0.00 H new ATOM 0 HA LEU A 51 10.943 -14.734 4.128 1.00 0.00 H new ATOM 0 HB2 LEU A 51 11.658 -16.127 2.459 1.00 0.00 H new ATOM 0 HB3 LEU A 51 9.927 -16.230 2.202 1.00 0.00 H new ATOM 0 HG LEU A 51 10.969 -16.030 0.071 1.00 0.00 H new ATOM 0 HD11 LEU A 51 9.985 -13.945 -0.796 1.00 0.00 H new ATOM 0 HD12 LEU A 51 8.888 -14.772 0.335 1.00 0.00 H new ATOM 0 HD13 LEU A 51 9.804 -13.343 0.869 1.00 0.00 H new ATOM 0 HD21 LEU A 51 12.430 -14.137 -0.531 1.00 0.00 H new ATOM 0 HD22 LEU A 51 12.343 -13.543 1.145 1.00 0.00 H new ATOM 0 HD23 LEU A 51 13.119 -15.106 0.793 1.00 0.00 H new ATOM 739 N GLY A 52 12.437 -12.900 3.393 1.00 0.00 N ATOM 740 CA GLY A 52 13.244 -11.742 3.054 1.00 0.00 C ATOM 741 C GLY A 52 12.432 -10.643 2.398 1.00 0.00 C ATOM 742 O GLY A 52 12.510 -10.442 1.186 1.00 0.00 O ATOM 0 H GLY A 52 12.789 -13.453 4.175 1.00 0.00 H new ATOM 0 HA2 GLY A 52 13.714 -11.353 3.957 1.00 0.00 H new ATOM 0 HA3 GLY A 52 14.047 -12.046 2.383 1.00 0.00 H new ATOM 746 N LYS A 53 11.649 -9.928 3.200 1.00 0.00 N ATOM 747 CA LYS A 53 10.819 -8.843 2.691 1.00 0.00 C ATOM 748 C LYS A 53 10.126 -8.107 3.833 1.00 0.00 C ATOM 749 O LYS A 53 10.029 -8.620 4.948 1.00 0.00 O ATOM 750 CB LYS A 53 9.775 -9.387 1.713 1.00 0.00 C ATOM 751 CG LYS A 53 8.662 -10.172 2.387 1.00 0.00 C ATOM 752 CD LYS A 53 7.357 -10.061 1.617 1.00 0.00 C ATOM 753 CE LYS A 53 7.551 -10.378 0.142 1.00 0.00 C ATOM 754 NZ LYS A 53 7.806 -11.828 -0.084 1.00 0.00 N ATOM 0 H LYS A 53 11.572 -10.081 4.206 1.00 0.00 H new ATOM 0 HA LYS A 53 11.466 -8.139 2.168 1.00 0.00 H new ATOM 0 HB2 LYS A 53 9.338 -8.555 1.160 1.00 0.00 H new ATOM 0 HB3 LYS A 53 10.271 -10.028 0.984 1.00 0.00 H new ATOM 0 HG2 LYS A 53 8.951 -11.220 2.466 1.00 0.00 H new ATOM 0 HG3 LYS A 53 8.519 -9.803 3.403 1.00 0.00 H new ATOM 0 HD2 LYS A 53 6.623 -10.744 2.043 1.00 0.00 H new ATOM 0 HD3 LYS A 53 6.955 -9.054 1.724 1.00 0.00 H new ATOM 0 HE2 LYS A 53 6.665 -10.074 -0.415 1.00 0.00 H new ATOM 0 HE3 LYS A 53 8.387 -9.797 -0.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 8.718 -11.949 -0.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 7.831 -12.323 0.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 7.046 -12.227 -0.672 1.00 0.00 H new ATOM 768 N VAL A 54 9.645 -6.901 3.548 1.00 0.00 N ATOM 769 CA VAL A 54 8.958 -6.095 4.551 1.00 0.00 C ATOM 770 C VAL A 54 7.574 -5.679 4.068 1.00 0.00 C ATOM 771 O VAL A 54 7.317 -5.618 2.865 1.00 0.00 O ATOM 772 CB VAL A 54 9.767 -4.834 4.907 1.00 0.00 C ATOM 773 CG1 VAL A 54 9.087 -4.061 6.027 1.00 0.00 C ATOM 774 CG2 VAL A 54 11.191 -5.206 5.293 1.00 0.00 C ATOM 0 H VAL A 54 9.718 -6.460 2.631 1.00 0.00 H new ATOM 0 HA VAL A 54 8.857 -6.716 5.441 1.00 0.00 H new ATOM 0 HB VAL A 54 9.809 -4.191 4.028 1.00 0.00 H new ATOM 0 HG11 VAL A 54 9.673 -3.173 6.265 1.00 0.00 H new ATOM 0 HG12 VAL A 54 8.088 -3.762 5.708 1.00 0.00 H new ATOM 0 HG13 VAL A 54 9.011 -4.693 6.912 1.00 0.00 H new ATOM 0 HG21 VAL A 54 11.748 -4.303 5.541 1.00 0.00 H new ATOM 0 HG22 VAL A 54 11.172 -5.870 6.157 1.00 0.00 H new ATOM 0 HG23 VAL A 54 11.674 -5.712 4.457 1.00 0.00 H new ATOM 784 N ASP A 55 6.685 -5.392 5.012 1.00 0.00 N ATOM 785 CA ASP A 55 5.326 -4.979 4.683 1.00 0.00 C ATOM 786 C ASP A 55 5.083 -3.530 5.095 1.00 0.00 C ATOM 787 O ASP A 55 5.179 -3.185 6.273 1.00 0.00 O ATOM 788 CB ASP A 55 4.311 -5.894 5.371 1.00 0.00 C ATOM 789 CG ASP A 55 3.953 -7.100 4.525 1.00 0.00 C ATOM 790 OD1 ASP A 55 4.598 -7.301 3.474 1.00 0.00 O ATOM 791 OD2 ASP A 55 3.029 -7.844 4.914 1.00 0.00 O ATOM 0 H ASP A 55 6.881 -5.438 6.012 1.00 0.00 H new ATOM 0 HA ASP A 55 5.201 -5.057 3.603 1.00 0.00 H new ATOM 0 HB2 ASP A 55 4.717 -6.231 6.325 1.00 0.00 H new ATOM 0 HB3 ASP A 55 3.407 -5.327 5.592 1.00 0.00 H new ATOM 796 N ILE A 56 4.771 -2.687 4.117 1.00 0.00 N ATOM 797 CA ILE A 56 4.515 -1.276 4.378 1.00 0.00 C ATOM 798 C ILE A 56 3.039 -1.030 4.671 1.00 0.00 C ATOM 799 O ILE A 56 2.190 -1.157 3.788 1.00 0.00 O ATOM 800 CB ILE A 56 4.945 -0.396 3.189 1.00 0.00 C ATOM 801 CG1 ILE A 56 6.404 -0.672 2.824 1.00 0.00 C ATOM 802 CG2 ILE A 56 4.745 1.075 3.520 1.00 0.00 C ATOM 803 CD1 ILE A 56 7.390 -0.190 3.865 1.00 0.00 C ATOM 0 H ILE A 56 4.689 -2.956 3.137 1.00 0.00 H new ATOM 0 HA ILE A 56 5.106 -1.005 5.252 1.00 0.00 H new ATOM 0 HB ILE A 56 4.322 -0.643 2.329 1.00 0.00 H new ATOM 0 HG12 ILE A 56 6.537 -1.744 2.679 1.00 0.00 H new ATOM 0 HG13 ILE A 56 6.629 -0.191 1.872 1.00 0.00 H new ATOM 0 HG21 ILE A 56 5.053 1.684 2.670 1.00 0.00 H new ATOM 0 HG22 ILE A 56 3.693 1.260 3.736 1.00 0.00 H new ATOM 0 HG23 ILE A 56 5.346 1.337 4.391 1.00 0.00 H new ATOM 0 HD11 ILE A 56 8.404 -0.419 3.539 1.00 0.00 H new ATOM 0 HD12 ILE A 56 7.285 0.887 3.994 1.00 0.00 H new ATOM 0 HD13 ILE A 56 7.192 -0.690 4.813 1.00 0.00 H new ATOM 815 N PHE A 57 2.740 -0.675 5.916 1.00 0.00 N ATOM 816 CA PHE A 57 1.366 -0.409 6.326 1.00 0.00 C ATOM 817 C PHE A 57 1.146 1.083 6.561 1.00 0.00 C ATOM 818 O PHE A 57 2.009 1.770 7.109 1.00 0.00 O ATOM 819 CB PHE A 57 1.030 -1.192 7.598 1.00 0.00 C ATOM 820 CG PHE A 57 1.233 -2.674 7.461 1.00 0.00 C ATOM 821 CD1 PHE A 57 0.222 -3.481 6.964 1.00 0.00 C ATOM 822 CD2 PHE A 57 2.433 -3.259 7.827 1.00 0.00 C ATOM 823 CE1 PHE A 57 0.405 -4.845 6.838 1.00 0.00 C ATOM 824 CE2 PHE A 57 2.623 -4.623 7.703 1.00 0.00 C ATOM 825 CZ PHE A 57 1.608 -5.416 7.206 1.00 0.00 C ATOM 0 H PHE A 57 3.431 -0.565 6.659 1.00 0.00 H new ATOM 0 HA PHE A 57 0.705 -0.733 5.522 1.00 0.00 H new ATOM 0 HB2 PHE A 57 1.648 -0.823 8.416 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -0.008 -0.999 7.870 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -0.719 -3.039 6.672 1.00 0.00 H new ATOM 0 HD2 PHE A 57 3.231 -2.642 8.214 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -0.392 -5.464 6.452 1.00 0.00 H new ATOM 0 HE2 PHE A 57 3.563 -5.067 7.994 1.00 0.00 H new ATOM 0 HZ PHE A 57 1.754 -6.481 7.105 1.00 0.00 H new ATOM 835 N VAL A 58 -0.014 1.577 6.141 1.00 0.00 N ATOM 836 CA VAL A 58 -0.348 2.987 6.305 1.00 0.00 C ATOM 837 C VAL A 58 -0.779 3.287 7.737 1.00 0.00 C ATOM 838 O VAL A 58 -1.850 2.867 8.175 1.00 0.00 O ATOM 839 CB VAL A 58 -1.472 3.413 5.342 1.00 0.00 C ATOM 840 CG1 VAL A 58 -1.829 4.877 5.553 1.00 0.00 C ATOM 841 CG2 VAL A 58 -1.063 3.158 3.900 1.00 0.00 C ATOM 0 H VAL A 58 -0.738 1.022 5.685 1.00 0.00 H new ATOM 0 HA VAL A 58 0.553 3.555 6.074 1.00 0.00 H new ATOM 0 HB VAL A 58 -2.357 2.813 5.556 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -2.625 5.160 4.864 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -2.167 5.025 6.579 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -0.951 5.496 5.368 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -1.869 3.465 3.233 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -0.164 3.730 3.670 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -0.862 2.096 3.761 1.00 0.00 H new ATOM 851 N LYS A 59 0.063 4.016 8.462 1.00 0.00 N ATOM 852 CA LYS A 59 -0.231 4.375 9.844 1.00 0.00 C ATOM 853 C LYS A 59 -0.420 5.881 9.987 1.00 0.00 C ATOM 854 O LYS A 59 0.099 6.660 9.187 1.00 0.00 O ATOM 855 CB LYS A 59 0.897 3.903 10.765 1.00 0.00 C ATOM 856 CG LYS A 59 1.161 2.409 10.686 1.00 0.00 C ATOM 857 CD LYS A 59 0.230 1.629 11.599 1.00 0.00 C ATOM 858 CE LYS A 59 0.474 1.964 13.063 1.00 0.00 C ATOM 859 NZ LYS A 59 -0.394 3.080 13.529 1.00 0.00 N ATOM 0 H LYS A 59 0.955 4.370 8.115 1.00 0.00 H new ATOM 0 HA LYS A 59 -1.159 3.881 10.132 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.811 4.439 10.510 1.00 0.00 H new ATOM 0 HB3 LYS A 59 0.649 4.166 11.793 1.00 0.00 H new ATOM 0 HG2 LYS A 59 1.032 2.070 9.658 1.00 0.00 H new ATOM 0 HG3 LYS A 59 2.196 2.206 10.961 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -0.805 1.852 11.341 1.00 0.00 H new ATOM 0 HD3 LYS A 59 0.374 0.560 11.440 1.00 0.00 H new ATOM 0 HE2 LYS A 59 0.288 1.080 13.673 1.00 0.00 H new ATOM 0 HE3 LYS A 59 1.520 2.235 13.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 0.200 3.855 13.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -0.971 3.425 12.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -1.018 2.741 14.289 1.00 0.00 H new ATOM 873 N ASP A 60 -1.166 6.285 11.009 1.00 0.00 N ATOM 874 CA ASP A 60 -1.422 7.699 11.258 1.00 0.00 C ATOM 875 C ASP A 60 -2.092 8.350 10.052 1.00 0.00 C ATOM 876 O ASP A 60 -1.658 9.400 9.579 1.00 0.00 O ATOM 877 CB ASP A 60 -0.117 8.425 11.586 1.00 0.00 C ATOM 878 CG ASP A 60 -0.330 9.612 12.505 1.00 0.00 C ATOM 879 OD1 ASP A 60 -1.248 9.551 13.350 1.00 0.00 O ATOM 880 OD2 ASP A 60 0.422 10.601 12.381 1.00 0.00 O ATOM 0 H ASP A 60 -1.604 5.653 11.679 1.00 0.00 H new ATOM 0 HA ASP A 60 -2.096 7.777 12.111 1.00 0.00 H new ATOM 0 HB2 ASP A 60 0.576 7.726 12.054 1.00 0.00 H new ATOM 0 HB3 ASP A 60 0.349 8.764 10.661 1.00 0.00 H new ATOM 885 N VAL A 61 -3.153 7.719 9.558 1.00 0.00 N ATOM 886 CA VAL A 61 -3.883 8.236 8.407 1.00 0.00 C ATOM 887 C VAL A 61 -4.654 9.501 8.769 1.00 0.00 C ATOM 888 O VAL A 61 -5.799 9.434 9.216 1.00 0.00 O ATOM 889 CB VAL A 61 -4.867 7.190 7.850 1.00 0.00 C ATOM 890 CG1 VAL A 61 -5.663 7.770 6.691 1.00 0.00 C ATOM 891 CG2 VAL A 61 -4.123 5.935 7.421 1.00 0.00 C ATOM 0 H VAL A 61 -3.526 6.849 9.937 1.00 0.00 H new ATOM 0 HA VAL A 61 -3.143 8.471 7.642 1.00 0.00 H new ATOM 0 HB VAL A 61 -5.567 6.918 8.640 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -6.353 7.017 6.310 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -6.226 8.638 7.035 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -4.981 8.072 5.896 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -4.833 5.207 7.030 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -3.399 6.188 6.646 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -3.602 5.510 8.279 1.00 0.00 H new ATOM 901 N GLN A 62 -4.018 10.651 8.572 1.00 0.00 N ATOM 902 CA GLN A 62 -4.645 11.932 8.878 1.00 0.00 C ATOM 903 C GLN A 62 -5.949 12.098 8.105 1.00 0.00 C ATOM 904 O GLN A 62 -5.974 12.104 6.874 1.00 0.00 O ATOM 905 CB GLN A 62 -3.692 13.082 8.547 1.00 0.00 C ATOM 906 CG GLN A 62 -2.594 13.278 9.579 1.00 0.00 C ATOM 907 CD GLN A 62 -2.994 14.238 10.682 1.00 0.00 C ATOM 908 OE1 GLN A 62 -4.059 14.100 11.285 1.00 0.00 O ATOM 909 NE2 GLN A 62 -2.140 15.218 10.953 1.00 0.00 N ATOM 0 H GLN A 62 -3.070 10.722 8.202 1.00 0.00 H new ATOM 0 HA GLN A 62 -4.871 11.952 9.944 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -3.236 12.897 7.574 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -4.266 14.005 8.459 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -2.337 12.314 10.017 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -1.698 13.652 9.084 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -1.269 15.295 10.428 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -2.355 15.894 11.686 1.00 0.00 H new ATOM 918 N PRO A 63 -7.061 12.235 8.843 1.00 0.00 N ATOM 919 CA PRO A 63 -8.390 12.404 8.247 1.00 0.00 C ATOM 920 C PRO A 63 -8.554 13.760 7.570 1.00 0.00 C ATOM 921 O PRO A 63 -9.535 14.000 6.867 1.00 0.00 O ATOM 922 CB PRO A 63 -9.334 12.288 9.447 1.00 0.00 C ATOM 923 CG PRO A 63 -8.507 12.691 10.619 1.00 0.00 C ATOM 924 CD PRO A 63 -7.107 12.237 10.314 1.00 0.00 C ATOM 0 HA PRO A 63 -8.581 11.671 7.464 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -10.202 12.938 9.332 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -9.710 11.271 9.558 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -8.543 13.770 10.770 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -8.876 12.229 11.535 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -6.364 12.913 10.738 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -6.908 11.247 10.723 1.00 0.00 H new ATOM 932 N GLY A 64 -7.586 14.646 7.787 1.00 0.00 N ATOM 933 CA GLY A 64 -7.642 15.967 7.190 1.00 0.00 C ATOM 934 C GLY A 64 -6.443 16.257 6.308 1.00 0.00 C ATOM 935 O GLY A 64 -5.934 17.377 6.291 1.00 0.00 O ATOM 0 H GLY A 64 -6.764 14.472 8.366 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -8.554 16.057 6.599 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -7.698 16.717 7.979 1.00 0.00 H new ATOM 939 N SER A 65 -5.991 15.244 5.576 1.00 0.00 N ATOM 940 CA SER A 65 -4.841 15.394 4.692 1.00 0.00 C ATOM 941 C SER A 65 -5.093 14.711 3.352 1.00 0.00 C ATOM 942 O SER A 65 -5.767 13.684 3.282 1.00 0.00 O ATOM 943 CB SER A 65 -3.588 14.810 5.347 1.00 0.00 C ATOM 944 OG SER A 65 -3.667 13.397 5.429 1.00 0.00 O ATOM 0 H SER A 65 -6.403 14.311 5.578 1.00 0.00 H new ATOM 0 HA SER A 65 -4.687 16.458 4.514 1.00 0.00 H new ATOM 0 HB2 SER A 65 -2.707 15.095 4.772 1.00 0.00 H new ATOM 0 HB3 SER A 65 -3.467 15.229 6.346 1.00 0.00 H new ATOM 0 HG SER A 65 -4.495 13.142 5.887 1.00 0.00 H new ATOM 950 N VAL A 66 -4.547 15.291 2.287 1.00 0.00 N ATOM 951 CA VAL A 66 -4.711 14.739 0.948 1.00 0.00 C ATOM 952 C VAL A 66 -4.738 13.215 0.981 1.00 0.00 C ATOM 953 O VAL A 66 -5.507 12.582 0.258 1.00 0.00 O ATOM 954 CB VAL A 66 -3.581 15.200 0.008 1.00 0.00 C ATOM 955 CG1 VAL A 66 -2.231 14.727 0.524 1.00 0.00 C ATOM 956 CG2 VAL A 66 -3.827 14.699 -1.407 1.00 0.00 C ATOM 0 H VAL A 66 -3.987 16.143 2.326 1.00 0.00 H new ATOM 0 HA VAL A 66 -5.663 15.109 0.568 1.00 0.00 H new ATOM 0 HB VAL A 66 -3.572 16.290 -0.014 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -1.445 15.062 -0.153 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -2.056 15.141 1.517 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -2.223 13.638 0.578 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -3.019 15.034 -2.057 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -3.864 13.610 -1.406 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -4.775 15.094 -1.773 1.00 0.00 H new ATOM 1065 N LEU A 73 -8.712 6.587 1.844 1.00 0.00 N ATOM 1066 CA LEU A 73 -7.602 5.812 2.387 1.00 0.00 C ATOM 1067 C LEU A 73 -7.902 5.357 3.812 1.00 0.00 C ATOM 1068 O LEU A 73 -8.407 6.127 4.628 1.00 0.00 O ATOM 1069 CB LEU A 73 -6.316 6.640 2.364 1.00 0.00 C ATOM 1070 CG LEU A 73 -5.017 5.857 2.172 1.00 0.00 C ATOM 1071 CD1 LEU A 73 -3.933 6.754 1.594 1.00 0.00 C ATOM 1072 CD2 LEU A 73 -4.561 5.249 3.490 1.00 0.00 C ATOM 0 HA LEU A 73 -7.469 4.928 1.763 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -6.395 7.375 1.563 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -6.248 7.194 3.300 1.00 0.00 H new ATOM 0 HG LEU A 73 -5.205 5.047 1.467 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -3.016 6.179 1.464 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -4.258 7.141 0.628 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -3.747 7.585 2.274 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -3.635 4.695 3.334 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -4.391 6.043 4.217 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -5.330 4.573 3.864 1.00 0.00 H new ATOM 1084 N LYS A 74 -7.584 4.100 4.105 1.00 0.00 N ATOM 1085 CA LYS A 74 -7.815 3.542 5.432 1.00 0.00 C ATOM 1086 C LYS A 74 -6.494 3.235 6.131 1.00 0.00 C ATOM 1087 O LYS A 74 -5.448 3.152 5.489 1.00 0.00 O ATOM 1088 CB LYS A 74 -8.660 2.270 5.333 1.00 0.00 C ATOM 1089 CG LYS A 74 -10.053 2.507 4.775 1.00 0.00 C ATOM 1090 CD LYS A 74 -10.923 3.275 5.756 1.00 0.00 C ATOM 1091 CE LYS A 74 -11.644 2.338 6.713 1.00 0.00 C ATOM 1092 NZ LYS A 74 -10.841 2.072 7.938 1.00 0.00 N ATOM 0 H LYS A 74 -7.166 3.449 3.441 1.00 0.00 H new ATOM 0 HA LYS A 74 -8.354 4.284 6.022 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -8.142 1.548 4.701 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -8.746 1.823 6.323 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -9.982 3.061 3.839 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -10.521 1.550 4.544 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -10.306 3.972 6.323 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -11.654 3.870 5.208 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -12.603 2.774 6.995 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -11.858 1.396 6.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -11.479 1.909 8.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -10.250 1.230 7.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -10.232 2.891 8.139 1.00 0.00 H new ATOM 1106 N GLU A 75 -6.552 3.066 7.448 1.00 0.00 N ATOM 1107 CA GLU A 75 -5.360 2.768 8.233 1.00 0.00 C ATOM 1108 C GLU A 75 -5.010 1.284 8.148 1.00 0.00 C ATOM 1109 O GLU A 75 -5.852 0.457 7.802 1.00 0.00 O ATOM 1110 CB GLU A 75 -5.568 3.171 9.694 1.00 0.00 C ATOM 1111 CG GLU A 75 -4.273 3.349 10.467 1.00 0.00 C ATOM 1112 CD GLU A 75 -4.490 3.963 11.836 1.00 0.00 C ATOM 1113 OE1 GLU A 75 -4.554 5.207 11.926 1.00 0.00 O ATOM 1114 OE2 GLU A 75 -4.597 3.199 12.818 1.00 0.00 O ATOM 0 H GLU A 75 -7.411 3.130 7.994 1.00 0.00 H new ATOM 0 HA GLU A 75 -4.532 3.344 7.820 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -6.132 4.103 9.728 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -6.175 2.412 10.188 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -3.786 2.380 10.581 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -3.596 3.981 9.893 1.00 0.00 H new ATOM 1121 N ASN A 76 -3.762 0.957 8.467 1.00 0.00 N ATOM 1122 CA ASN A 76 -3.301 -0.426 8.426 1.00 0.00 C ATOM 1123 C ASN A 76 -3.435 -1.003 7.021 1.00 0.00 C ATOM 1124 O ASN A 76 -3.683 -2.197 6.850 1.00 0.00 O ATOM 1125 CB ASN A 76 -4.093 -1.279 9.418 1.00 0.00 C ATOM 1126 CG ASN A 76 -3.992 -0.759 10.839 1.00 0.00 C ATOM 1127 OD1 ASN A 76 -2.991 -0.152 11.220 1.00 0.00 O ATOM 1128 ND2 ASN A 76 -5.032 -0.994 11.631 1.00 0.00 N ATOM 0 H ASN A 76 -3.052 1.630 8.756 1.00 0.00 H new ATOM 0 HA ASN A 76 -2.248 -0.440 8.706 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -5.140 -1.303 9.117 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -3.727 -2.305 9.383 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -5.021 -0.667 12.597 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -5.841 -1.501 11.273 1.00 0.00 H new ATOM 1135 N ASP A 77 -3.269 -0.148 6.018 1.00 0.00 N ATOM 1136 CA ASP A 77 -3.370 -0.572 4.626 1.00 0.00 C ATOM 1137 C ASP A 77 -2.002 -0.969 4.079 1.00 0.00 C ATOM 1138 O ASP A 77 -1.158 -0.114 3.815 1.00 0.00 O ATOM 1139 CB ASP A 77 -3.971 0.545 3.772 1.00 0.00 C ATOM 1140 CG ASP A 77 -5.485 0.496 3.737 1.00 0.00 C ATOM 1141 OD1 ASP A 77 -6.050 -0.591 3.981 1.00 0.00 O ATOM 1142 OD2 ASP A 77 -6.106 1.546 3.467 1.00 0.00 O ATOM 0 H ASP A 77 -3.064 0.843 6.143 1.00 0.00 H new ATOM 0 HA ASP A 77 -4.025 -1.442 4.583 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -3.651 1.510 4.164 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -3.584 0.469 2.756 1.00 0.00 H new ATOM 1147 N GLN A 78 -1.792 -2.271 3.912 1.00 0.00 N ATOM 1148 CA GLN A 78 -0.526 -2.780 3.398 1.00 0.00 C ATOM 1149 C GLN A 78 -0.364 -2.443 1.919 1.00 0.00 C ATOM 1150 O GLN A 78 -1.081 -2.974 1.070 1.00 0.00 O ATOM 1151 CB GLN A 78 -0.441 -4.294 3.600 1.00 0.00 C ATOM 1152 CG GLN A 78 0.983 -4.822 3.654 1.00 0.00 C ATOM 1153 CD GLN A 78 1.096 -6.249 3.156 1.00 0.00 C ATOM 1154 OE1 GLN A 78 0.468 -7.159 3.699 1.00 0.00 O ATOM 1155 NE2 GLN A 78 1.899 -6.453 2.119 1.00 0.00 N ATOM 0 H GLN A 78 -2.482 -2.992 4.125 1.00 0.00 H new ATOM 0 HA GLN A 78 0.281 -2.301 3.952 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -0.953 -4.558 4.526 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -0.973 -4.791 2.789 1.00 0.00 H new ATOM 0 HG2 GLN A 78 1.627 -4.180 3.054 1.00 0.00 H new ATOM 0 HG3 GLN A 78 1.347 -4.769 4.680 1.00 0.00 H new ATOM 0 HE21 GLN A 78 2.400 -5.670 1.700 1.00 0.00 H new ATOM 0 HE22 GLN A 78 2.015 -7.393 1.741 1.00 0.00 H new ATOM 1164 N ILE A 79 0.580 -1.558 1.619 1.00 0.00 N ATOM 1165 CA ILE A 79 0.836 -1.151 0.243 1.00 0.00 C ATOM 1166 C ILE A 79 1.570 -2.244 -0.526 1.00 0.00 C ATOM 1167 O ILE A 79 2.755 -2.492 -0.296 1.00 0.00 O ATOM 1168 CB ILE A 79 1.664 0.146 0.184 1.00 0.00 C ATOM 1169 CG1 ILE A 79 0.937 1.274 0.921 1.00 0.00 C ATOM 1170 CG2 ILE A 79 1.934 0.538 -1.261 1.00 0.00 C ATOM 1171 CD1 ILE A 79 1.701 2.580 0.929 1.00 0.00 C ATOM 0 H ILE A 79 1.181 -1.109 2.310 1.00 0.00 H new ATOM 0 HA ILE A 79 -0.135 -0.974 -0.219 1.00 0.00 H new ATOM 0 HB ILE A 79 2.621 -0.028 0.677 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -0.035 1.434 0.455 1.00 0.00 H new ATOM 0 HG13 ILE A 79 0.751 0.965 1.949 1.00 0.00 H new ATOM 0 HG21 ILE A 79 2.520 1.457 -1.285 1.00 0.00 H new ATOM 0 HG22 ILE A 79 2.488 -0.259 -1.757 1.00 0.00 H new ATOM 0 HG23 ILE A 79 0.988 0.698 -1.778 1.00 0.00 H new ATOM 0 HD11 ILE A 79 1.127 3.334 1.468 1.00 0.00 H new ATOM 0 HD12 ILE A 79 2.663 2.436 1.421 1.00 0.00 H new ATOM 0 HD13 ILE A 79 1.864 2.912 -0.096 1.00 0.00 H new ATOM 1183 N LEU A 80 0.860 -2.895 -1.441 1.00 0.00 N ATOM 1184 CA LEU A 80 1.444 -3.961 -2.247 1.00 0.00 C ATOM 1185 C LEU A 80 2.324 -3.388 -3.353 1.00 0.00 C ATOM 1186 O LEU A 80 3.454 -3.831 -3.553 1.00 0.00 O ATOM 1187 CB LEU A 80 0.341 -4.830 -2.855 1.00 0.00 C ATOM 1188 CG LEU A 80 -0.697 -5.379 -1.876 1.00 0.00 C ATOM 1189 CD1 LEU A 80 -1.791 -6.127 -2.622 1.00 0.00 C ATOM 1190 CD2 LEU A 80 -0.034 -6.286 -0.849 1.00 0.00 C ATOM 0 H LEU A 80 -0.121 -2.703 -1.643 1.00 0.00 H new ATOM 0 HA LEU A 80 2.065 -4.576 -1.596 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -0.178 -4.245 -3.614 1.00 0.00 H new ATOM 0 HB3 LEU A 80 0.809 -5.671 -3.367 1.00 0.00 H new ATOM 0 HG LEU A 80 -1.152 -4.540 -1.350 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -2.521 -6.511 -1.909 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -2.285 -5.449 -3.318 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -1.352 -6.958 -3.174 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.788 -6.668 -0.160 1.00 0.00 H new ATOM 0 HD22 LEU A 80 0.448 -7.120 -1.358 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.713 -5.720 -0.292 1.00 0.00 H new ATOM 1202 N ALA A 81 1.797 -2.399 -4.068 1.00 0.00 N ATOM 1203 CA ALA A 81 2.536 -1.762 -5.151 1.00 0.00 C ATOM 1204 C ALA A 81 2.425 -0.243 -5.073 1.00 0.00 C ATOM 1205 O ALA A 81 1.452 0.290 -4.540 1.00 0.00 O ATOM 1206 CB ALA A 81 2.034 -2.262 -6.498 1.00 0.00 C ATOM 0 H ALA A 81 0.861 -2.022 -3.917 1.00 0.00 H new ATOM 0 HA ALA A 81 3.588 -2.029 -5.046 1.00 0.00 H new ATOM 0 HB1 ALA A 81 2.595 -1.778 -7.298 1.00 0.00 H new ATOM 0 HB2 ALA A 81 2.172 -3.341 -6.560 1.00 0.00 H new ATOM 0 HB3 ALA A 81 0.975 -2.025 -6.602 1.00 0.00 H new ATOM 1212 N ILE A 82 3.427 0.447 -5.607 1.00 0.00 N ATOM 1213 CA ILE A 82 3.440 1.904 -5.598 1.00 0.00 C ATOM 1214 C ILE A 82 3.782 2.460 -6.976 1.00 0.00 C ATOM 1215 O ILE A 82 4.821 2.135 -7.547 1.00 0.00 O ATOM 1216 CB ILE A 82 4.450 2.452 -4.571 1.00 0.00 C ATOM 1217 CG1 ILE A 82 4.071 2.000 -3.160 1.00 0.00 C ATOM 1218 CG2 ILE A 82 4.513 3.970 -4.649 1.00 0.00 C ATOM 1219 CD1 ILE A 82 5.243 1.954 -2.205 1.00 0.00 C ATOM 0 H ILE A 82 4.240 0.020 -6.051 1.00 0.00 H new ATOM 0 HA ILE A 82 2.437 2.226 -5.318 1.00 0.00 H new ATOM 0 HB ILE A 82 5.437 2.055 -4.806 1.00 0.00 H new ATOM 0 HG12 ILE A 82 3.314 2.676 -2.762 1.00 0.00 H new ATOM 0 HG13 ILE A 82 3.618 1.010 -3.214 1.00 0.00 H new ATOM 0 HG21 ILE A 82 5.230 4.342 -3.918 1.00 0.00 H new ATOM 0 HG22 ILE A 82 4.825 4.270 -5.649 1.00 0.00 H new ATOM 0 HG23 ILE A 82 3.528 4.386 -4.436 1.00 0.00 H new ATOM 0 HD11 ILE A 82 4.900 1.625 -1.224 1.00 0.00 H new ATOM 0 HD12 ILE A 82 5.991 1.256 -2.581 1.00 0.00 H new ATOM 0 HD13 ILE A 82 5.683 2.948 -2.121 1.00 0.00 H new ATOM 1231 N ASN A 83 2.899 3.302 -7.504 1.00 0.00 N ATOM 1232 CA ASN A 83 3.107 3.904 -8.816 1.00 0.00 C ATOM 1233 C ASN A 83 3.528 2.852 -9.837 1.00 0.00 C ATOM 1234 O ASN A 83 4.485 3.048 -10.588 1.00 0.00 O ATOM 1235 CB ASN A 83 4.168 5.004 -8.732 1.00 0.00 C ATOM 1236 CG ASN A 83 5.517 4.473 -8.286 1.00 0.00 C ATOM 1237 OD1 ASN A 83 6.160 3.703 -9.000 1.00 0.00 O ATOM 1238 ND2 ASN A 83 5.951 4.883 -7.100 1.00 0.00 N ATOM 0 H ASN A 83 2.033 3.583 -7.044 1.00 0.00 H new ATOM 0 HA ASN A 83 2.163 4.342 -9.141 1.00 0.00 H new ATOM 0 HB2 ASN A 83 4.272 5.480 -9.707 1.00 0.00 H new ATOM 0 HB3 ASN A 83 3.835 5.774 -8.036 1.00 0.00 H new ATOM 0 HD21 ASN A 83 6.851 4.559 -6.747 1.00 0.00 H new ATOM 0 HD22 ASN A 83 5.384 5.522 -6.542 1.00 0.00 H new ATOM 1245 N HIS A 84 2.807 1.736 -9.860 1.00 0.00 N ATOM 1246 CA HIS A 84 3.105 0.652 -10.791 1.00 0.00 C ATOM 1247 C HIS A 84 4.439 -0.004 -10.450 1.00 0.00 C ATOM 1248 O HIS A 84 5.329 -0.103 -11.296 1.00 0.00 O ATOM 1249 CB HIS A 84 3.133 1.178 -12.226 1.00 0.00 C ATOM 1250 CG HIS A 84 3.222 0.096 -13.258 1.00 0.00 C ATOM 1251 ND1 HIS A 84 3.690 0.313 -14.537 1.00 0.00 N ATOM 1252 CD2 HIS A 84 2.900 -1.217 -13.194 1.00 0.00 C ATOM 1253 CE1 HIS A 84 3.651 -0.820 -15.215 1.00 0.00 C ATOM 1254 NE2 HIS A 84 3.176 -1.764 -14.423 1.00 0.00 N ATOM 0 H HIS A 84 2.013 1.558 -9.245 1.00 0.00 H new ATOM 0 HA HIS A 84 2.319 -0.098 -10.703 1.00 0.00 H new ATOM 0 HB2 HIS A 84 2.234 1.768 -12.406 1.00 0.00 H new ATOM 0 HB3 HIS A 84 3.983 1.850 -12.342 1.00 0.00 H new ATOM 0 HD2 HIS A 84 2.500 -1.738 -12.336 1.00 0.00 H new ATOM 0 HE1 HIS A 84 3.956 -0.952 -16.243 1.00 0.00 H new ATOM 0 HE2 HIS A 84 3.037 -2.741 -14.682 1.00 0.00 H new ATOM 1263 N THR A 85 4.573 -0.452 -9.206 1.00 0.00 N ATOM 1264 CA THR A 85 5.799 -1.098 -8.753 1.00 0.00 C ATOM 1265 C THR A 85 5.568 -1.871 -7.460 1.00 0.00 C ATOM 1266 O THR A 85 5.444 -1.296 -6.378 1.00 0.00 O ATOM 1267 CB THR A 85 6.925 -0.071 -8.530 1.00 0.00 C ATOM 1268 OG1 THR A 85 7.365 0.454 -9.787 1.00 0.00 O ATOM 1269 CG2 THR A 85 8.099 -0.705 -7.800 1.00 0.00 C ATOM 0 H THR A 85 3.847 -0.379 -8.493 1.00 0.00 H new ATOM 0 HA THR A 85 6.100 -1.791 -9.538 1.00 0.00 H new ATOM 0 HB THR A 85 6.531 0.739 -7.916 1.00 0.00 H new ATOM 0 HG1 THR A 85 6.896 -0.004 -10.515 1.00 0.00 H new ATOM 0 HG21 THR A 85 8.882 0.040 -7.654 1.00 0.00 H new ATOM 0 HG22 THR A 85 7.767 -1.077 -6.831 1.00 0.00 H new ATOM 0 HG23 THR A 85 8.491 -1.532 -8.391 1.00 0.00 H new ATOM 1277 N PRO A 86 5.510 -3.206 -7.570 1.00 0.00 N ATOM 1278 CA PRO A 86 5.295 -4.087 -6.419 1.00 0.00 C ATOM 1279 C PRO A 86 6.497 -4.119 -5.481 1.00 0.00 C ATOM 1280 O PRO A 86 7.645 -4.093 -5.926 1.00 0.00 O ATOM 1281 CB PRO A 86 5.079 -5.461 -7.058 1.00 0.00 C ATOM 1282 CG PRO A 86 5.785 -5.384 -8.368 1.00 0.00 C ATOM 1283 CD PRO A 86 5.650 -3.959 -8.828 1.00 0.00 C ATOM 0 HA PRO A 86 4.461 -3.754 -5.801 1.00 0.00 H new ATOM 0 HB2 PRO A 86 5.487 -6.256 -6.434 1.00 0.00 H new ATOM 0 HB3 PRO A 86 4.018 -5.673 -7.192 1.00 0.00 H new ATOM 0 HG2 PRO A 86 6.834 -5.663 -8.263 1.00 0.00 H new ATOM 0 HG3 PRO A 86 5.343 -6.071 -9.090 1.00 0.00 H new ATOM 0 HD2 PRO A 86 6.523 -3.635 -9.395 1.00 0.00 H new ATOM 0 HD3 PRO A 86 4.783 -3.826 -9.475 1.00 0.00 H new ATOM 1291 N LEU A 87 6.226 -4.177 -4.182 1.00 0.00 N ATOM 1292 CA LEU A 87 7.286 -4.213 -3.180 1.00 0.00 C ATOM 1293 C LEU A 87 7.607 -5.649 -2.778 1.00 0.00 C ATOM 1294 O LEU A 87 7.775 -5.951 -1.596 1.00 0.00 O ATOM 1295 CB LEU A 87 6.878 -3.405 -1.947 1.00 0.00 C ATOM 1296 CG LEU A 87 6.236 -2.044 -2.219 1.00 0.00 C ATOM 1297 CD1 LEU A 87 5.733 -1.424 -0.925 1.00 0.00 C ATOM 1298 CD2 LEU A 87 7.225 -1.116 -2.909 1.00 0.00 C ATOM 0 H LEU A 87 5.281 -4.200 -3.798 1.00 0.00 H new ATOM 0 HA LEU A 87 8.180 -3.769 -3.617 1.00 0.00 H new ATOM 0 HB2 LEU A 87 6.180 -4.003 -1.360 1.00 0.00 H new ATOM 0 HB3 LEU A 87 7.763 -3.250 -1.330 1.00 0.00 H new ATOM 0 HG LEU A 87 5.384 -2.191 -2.883 1.00 0.00 H new ATOM 0 HD11 LEU A 87 5.279 -0.456 -1.138 1.00 0.00 H new ATOM 0 HD12 LEU A 87 4.991 -2.081 -0.471 1.00 0.00 H new ATOM 0 HD13 LEU A 87 6.568 -1.290 -0.237 1.00 0.00 H new ATOM 0 HD21 LEU A 87 6.751 -0.152 -3.095 1.00 0.00 H new ATOM 0 HD22 LEU A 87 8.097 -0.974 -2.271 1.00 0.00 H new ATOM 0 HD23 LEU A 87 7.536 -1.556 -3.857 1.00 0.00 H new ATOM 1310 N ASP A 88 7.691 -6.531 -3.768 1.00 0.00 N ATOM 1311 CA ASP A 88 7.995 -7.935 -3.518 1.00 0.00 C ATOM 1312 C ASP A 88 9.339 -8.083 -2.812 1.00 0.00 C ATOM 1313 O ASP A 88 10.037 -7.098 -2.575 1.00 0.00 O ATOM 1314 CB ASP A 88 8.006 -8.718 -4.832 1.00 0.00 C ATOM 1315 CG ASP A 88 9.057 -8.211 -5.799 1.00 0.00 C ATOM 1316 OD1 ASP A 88 9.357 -6.999 -5.769 1.00 0.00 O ATOM 1317 OD2 ASP A 88 9.581 -9.027 -6.586 1.00 0.00 O ATOM 0 H ASP A 88 7.553 -6.298 -4.751 1.00 0.00 H new ATOM 0 HA ASP A 88 7.218 -8.340 -2.869 1.00 0.00 H new ATOM 0 HB2 ASP A 88 8.188 -9.772 -4.622 1.00 0.00 H new ATOM 0 HB3 ASP A 88 7.024 -8.651 -5.300 1.00 0.00 H new ATOM 1322 N GLN A 89 9.693 -9.320 -2.478 1.00 0.00 N ATOM 1323 CA GLN A 89 10.953 -9.596 -1.798 1.00 0.00 C ATOM 1324 C GLN A 89 12.093 -8.794 -2.417 1.00 0.00 C ATOM 1325 O GLN A 89 13.087 -8.497 -1.755 1.00 0.00 O ATOM 1326 CB GLN A 89 11.272 -11.090 -1.857 1.00 0.00 C ATOM 1327 CG GLN A 89 11.872 -11.531 -3.183 1.00 0.00 C ATOM 1328 CD GLN A 89 12.479 -12.919 -3.116 1.00 0.00 C ATOM 1329 OE1 GLN A 89 11.779 -13.922 -3.261 1.00 0.00 O ATOM 1330 NE2 GLN A 89 13.786 -12.984 -2.895 1.00 0.00 N ATOM 0 H GLN A 89 9.126 -10.146 -2.667 1.00 0.00 H new ATOM 0 HA GLN A 89 10.848 -9.296 -0.755 1.00 0.00 H new ATOM 0 HB2 GLN A 89 11.966 -11.337 -1.053 1.00 0.00 H new ATOM 0 HB3 GLN A 89 10.358 -11.656 -1.675 1.00 0.00 H new ATOM 0 HG2 GLN A 89 11.099 -11.513 -3.951 1.00 0.00 H new ATOM 0 HG3 GLN A 89 12.638 -10.818 -3.486 1.00 0.00 H new ATOM 0 HE21 GLN A 89 14.327 -12.127 -2.781 1.00 0.00 H new ATOM 0 HE22 GLN A 89 14.249 -13.891 -2.839 1.00 0.00 H new ATOM 1339 N ASN A 90 11.942 -8.448 -3.691 1.00 0.00 N ATOM 1340 CA ASN A 90 12.961 -7.682 -4.401 1.00 0.00 C ATOM 1341 C ASN A 90 13.159 -6.313 -3.756 1.00 0.00 C ATOM 1342 O ASN A 90 14.288 -5.895 -3.498 1.00 0.00 O ATOM 1343 CB ASN A 90 12.570 -7.514 -5.870 1.00 0.00 C ATOM 1344 CG ASN A 90 12.601 -8.826 -6.630 1.00 0.00 C ATOM 1345 OD1 ASN A 90 12.370 -9.892 -6.060 1.00 0.00 O ATOM 1346 ND2 ASN A 90 12.889 -8.753 -7.925 1.00 0.00 N ATOM 0 H ASN A 90 11.125 -8.685 -4.253 1.00 0.00 H new ATOM 0 HA ASN A 90 13.901 -8.231 -4.342 1.00 0.00 H new ATOM 0 HB2 ASN A 90 11.569 -7.086 -5.930 1.00 0.00 H new ATOM 0 HB3 ASN A 90 13.249 -6.806 -6.345 1.00 0.00 H new ATOM 0 HD21 ASN A 90 12.925 -9.603 -8.488 1.00 0.00 H new ATOM 0 HD22 ASN A 90 13.074 -7.847 -8.356 1.00 0.00 H new ATOM 1353 N ILE A 91 12.054 -5.621 -3.498 1.00 0.00 N ATOM 1354 CA ILE A 91 12.107 -4.301 -2.882 1.00 0.00 C ATOM 1355 C ILE A 91 11.911 -4.391 -1.372 1.00 0.00 C ATOM 1356 O ILE A 91 10.973 -5.028 -0.894 1.00 0.00 O ATOM 1357 CB ILE A 91 11.038 -3.362 -3.471 1.00 0.00 C ATOM 1358 CG1 ILE A 91 11.585 -2.644 -4.707 1.00 0.00 C ATOM 1359 CG2 ILE A 91 10.583 -2.355 -2.426 1.00 0.00 C ATOM 1360 CD1 ILE A 91 10.652 -1.587 -5.254 1.00 0.00 C ATOM 0 H ILE A 91 11.112 -5.952 -3.706 1.00 0.00 H new ATOM 0 HA ILE A 91 13.095 -3.893 -3.095 1.00 0.00 H new ATOM 0 HB ILE A 91 10.177 -3.959 -3.771 1.00 0.00 H new ATOM 0 HG12 ILE A 91 12.539 -2.180 -4.455 1.00 0.00 H new ATOM 0 HG13 ILE A 91 11.784 -3.380 -5.486 1.00 0.00 H new ATOM 0 HG21 ILE A 91 9.827 -1.699 -2.858 1.00 0.00 H new ATOM 0 HG22 ILE A 91 10.159 -2.883 -1.572 1.00 0.00 H new ATOM 0 HG23 ILE A 91 11.436 -1.760 -2.098 1.00 0.00 H new ATOM 0 HD11 ILE A 91 11.104 -1.120 -6.129 1.00 0.00 H new ATOM 0 HD12 ILE A 91 9.706 -2.048 -5.537 1.00 0.00 H new ATOM 0 HD13 ILE A 91 10.472 -0.830 -4.491 1.00 0.00 H new ATOM 1372 N SER A 92 12.803 -3.747 -0.626 1.00 0.00 N ATOM 1373 CA SER A 92 12.730 -3.755 0.830 1.00 0.00 C ATOM 1374 C SER A 92 11.848 -2.618 1.337 1.00 0.00 C ATOM 1375 O SER A 92 11.234 -1.895 0.550 1.00 0.00 O ATOM 1376 CB SER A 92 14.131 -3.636 1.433 1.00 0.00 C ATOM 1377 OG SER A 92 14.798 -4.886 1.425 1.00 0.00 O ATOM 0 H SER A 92 13.585 -3.213 -1.006 1.00 0.00 H new ATOM 0 HA SER A 92 12.287 -4.701 1.141 1.00 0.00 H new ATOM 0 HB2 SER A 92 14.712 -2.907 0.869 1.00 0.00 H new ATOM 0 HB3 SER A 92 14.060 -3.265 2.455 1.00 0.00 H new ATOM 0 HG SER A 92 15.692 -4.782 1.814 1.00 0.00 H new ATOM 1383 N HIS A 93 11.789 -2.465 2.656 1.00 0.00 N ATOM 1384 CA HIS A 93 10.982 -1.416 3.269 1.00 0.00 C ATOM 1385 C HIS A 93 11.499 -0.035 2.877 1.00 0.00 C ATOM 1386 O HIS A 93 10.718 0.866 2.573 1.00 0.00 O ATOM 1387 CB HIS A 93 10.988 -1.562 4.791 1.00 0.00 C ATOM 1388 CG HIS A 93 12.072 -0.778 5.464 1.00 0.00 C ATOM 1389 ND1 HIS A 93 13.266 -1.337 5.868 1.00 0.00 N ATOM 1390 CD2 HIS A 93 12.137 0.531 5.803 1.00 0.00 C ATOM 1391 CE1 HIS A 93 14.018 -0.406 6.427 1.00 0.00 C ATOM 1392 NE2 HIS A 93 13.357 0.737 6.400 1.00 0.00 N ATOM 0 H HIS A 93 12.290 -3.054 3.321 1.00 0.00 H new ATOM 0 HA HIS A 93 9.959 -1.519 2.906 1.00 0.00 H new ATOM 0 HB2 HIS A 93 10.023 -1.241 5.182 1.00 0.00 H new ATOM 0 HB3 HIS A 93 11.101 -2.616 5.046 1.00 0.00 H new ATOM 0 HD2 HIS A 93 11.372 1.275 5.635 1.00 0.00 H new ATOM 0 HE1 HIS A 93 15.006 -0.554 6.837 1.00 0.00 H new ATOM 0 HE2 HIS A 93 13.697 1.628 6.763 1.00 0.00 H new ATOM 1401 N GLN A 94 12.819 0.123 2.888 1.00 0.00 N ATOM 1402 CA GLN A 94 13.439 1.395 2.535 1.00 0.00 C ATOM 1403 C GLN A 94 12.971 1.866 1.162 1.00 0.00 C ATOM 1404 O GLN A 94 12.312 2.898 1.041 1.00 0.00 O ATOM 1405 CB GLN A 94 14.963 1.265 2.551 1.00 0.00 C ATOM 1406 CG GLN A 94 15.514 0.736 3.865 1.00 0.00 C ATOM 1407 CD GLN A 94 16.984 0.375 3.777 1.00 0.00 C ATOM 1408 OE1 GLN A 94 17.855 1.199 4.056 1.00 0.00 O ATOM 1409 NE2 GLN A 94 17.268 -0.863 3.389 1.00 0.00 N ATOM 0 H GLN A 94 13.479 -0.613 3.137 1.00 0.00 H new ATOM 0 HA GLN A 94 13.137 2.136 3.275 1.00 0.00 H new ATOM 0 HB2 GLN A 94 15.271 0.601 1.744 1.00 0.00 H new ATOM 0 HB3 GLN A 94 15.405 2.240 2.348 1.00 0.00 H new ATOM 0 HG2 GLN A 94 15.374 1.487 4.642 1.00 0.00 H new ATOM 0 HG3 GLN A 94 14.945 -0.144 4.166 1.00 0.00 H new ATOM 0 HE21 GLN A 94 16.514 -1.514 3.167 1.00 0.00 H new ATOM 0 HE22 GLN A 94 18.240 -1.163 3.313 1.00 0.00 H new ATOM 1418 N GLN A 95 13.317 1.103 0.130 1.00 0.00 N ATOM 1419 CA GLN A 95 12.933 1.443 -1.235 1.00 0.00 C ATOM 1420 C GLN A 95 11.486 1.920 -1.290 1.00 0.00 C ATOM 1421 O GLN A 95 11.184 2.952 -1.888 1.00 0.00 O ATOM 1422 CB GLN A 95 13.121 0.237 -2.156 1.00 0.00 C ATOM 1423 CG GLN A 95 14.496 0.172 -2.801 1.00 0.00 C ATOM 1424 CD GLN A 95 14.587 1.003 -4.066 1.00 0.00 C ATOM 1425 OE1 GLN A 95 14.814 2.212 -4.014 1.00 0.00 O ATOM 1426 NE2 GLN A 95 14.410 0.357 -5.213 1.00 0.00 N ATOM 0 H GLN A 95 13.863 0.245 0.213 1.00 0.00 H new ATOM 0 HA GLN A 95 13.577 2.254 -1.576 1.00 0.00 H new ATOM 0 HB2 GLN A 95 12.954 -0.676 -1.584 1.00 0.00 H new ATOM 0 HB3 GLN A 95 12.363 0.266 -2.939 1.00 0.00 H new ATOM 0 HG2 GLN A 95 15.244 0.519 -2.088 1.00 0.00 H new ATOM 0 HG3 GLN A 95 14.735 -0.866 -3.034 1.00 0.00 H new ATOM 0 HE21 GLN A 95 14.224 -0.646 -5.210 1.00 0.00 H new ATOM 0 HE22 GLN A 95 14.460 0.864 -6.097 1.00 0.00 H new ATOM 1435 N ALA A 96 10.594 1.161 -0.662 1.00 0.00 N ATOM 1436 CA ALA A 96 9.178 1.507 -0.638 1.00 0.00 C ATOM 1437 C ALA A 96 8.977 2.973 -0.270 1.00 0.00 C ATOM 1438 O ALA A 96 8.291 3.712 -0.977 1.00 0.00 O ATOM 1439 CB ALA A 96 8.431 0.609 0.337 1.00 0.00 C ATOM 0 H ALA A 96 10.827 0.302 -0.163 1.00 0.00 H new ATOM 0 HA ALA A 96 8.775 1.352 -1.639 1.00 0.00 H new ATOM 0 HB1 ALA A 96 7.375 0.879 0.344 1.00 0.00 H new ATOM 0 HB2 ALA A 96 8.538 -0.431 0.029 1.00 0.00 H new ATOM 0 HB3 ALA A 96 8.845 0.735 1.338 1.00 0.00 H new ATOM 1445 N ILE A 97 9.578 3.387 0.840 1.00 0.00 N ATOM 1446 CA ILE A 97 9.465 4.765 1.301 1.00 0.00 C ATOM 1447 C ILE A 97 9.935 5.744 0.230 1.00 0.00 C ATOM 1448 O ILE A 97 9.267 6.738 -0.053 1.00 0.00 O ATOM 1449 CB ILE A 97 10.281 4.998 2.586 1.00 0.00 C ATOM 1450 CG1 ILE A 97 9.956 3.922 3.624 1.00 0.00 C ATOM 1451 CG2 ILE A 97 10.003 6.384 3.147 1.00 0.00 C ATOM 1452 CD1 ILE A 97 10.632 4.147 4.959 1.00 0.00 C ATOM 0 H ILE A 97 10.148 2.788 1.437 1.00 0.00 H new ATOM 0 HA ILE A 97 8.410 4.940 1.513 1.00 0.00 H new ATOM 0 HB ILE A 97 11.341 4.933 2.342 1.00 0.00 H new ATOM 0 HG12 ILE A 97 8.877 3.887 3.774 1.00 0.00 H new ATOM 0 HG13 ILE A 97 10.255 2.949 3.233 1.00 0.00 H new ATOM 0 HG21 ILE A 97 10.587 6.533 4.055 1.00 0.00 H new ATOM 0 HG22 ILE A 97 10.280 7.137 2.410 1.00 0.00 H new ATOM 0 HG23 ILE A 97 8.942 6.476 3.379 1.00 0.00 H new ATOM 0 HD11 ILE A 97 10.357 3.347 5.646 1.00 0.00 H new ATOM 0 HD12 ILE A 97 11.713 4.152 4.823 1.00 0.00 H new ATOM 0 HD13 ILE A 97 10.313 5.104 5.371 1.00 0.00 H new ATOM 1464 N ALA A 98 11.088 5.453 -0.365 1.00 0.00 N ATOM 1465 CA ALA A 98 11.645 6.305 -1.408 1.00 0.00 C ATOM 1466 C ALA A 98 10.623 6.565 -2.509 1.00 0.00 C ATOM 1467 O ALA A 98 10.408 7.709 -2.913 1.00 0.00 O ATOM 1468 CB ALA A 98 12.901 5.673 -1.990 1.00 0.00 C ATOM 0 H ALA A 98 11.654 4.634 -0.142 1.00 0.00 H new ATOM 0 HA ALA A 98 11.907 7.263 -0.959 1.00 0.00 H new ATOM 0 HB1 ALA A 98 13.307 6.320 -2.768 1.00 0.00 H new ATOM 0 HB2 ALA A 98 13.643 5.545 -1.202 1.00 0.00 H new ATOM 0 HB3 ALA A 98 12.655 4.701 -2.418 1.00 0.00 H new ATOM 1474 N LEU A 99 9.994 5.499 -2.990 1.00 0.00 N ATOM 1475 CA LEU A 99 8.994 5.612 -4.046 1.00 0.00 C ATOM 1476 C LEU A 99 8.005 6.733 -3.741 1.00 0.00 C ATOM 1477 O LEU A 99 7.675 7.538 -4.613 1.00 0.00 O ATOM 1478 CB LEU A 99 8.245 4.288 -4.211 1.00 0.00 C ATOM 1479 CG LEU A 99 9.114 3.048 -4.427 1.00 0.00 C ATOM 1480 CD1 LEU A 99 8.251 1.798 -4.501 1.00 0.00 C ATOM 1481 CD2 LEU A 99 9.950 3.197 -5.689 1.00 0.00 C ATOM 0 H LEU A 99 10.159 4.546 -2.666 1.00 0.00 H new ATOM 0 HA LEU A 99 9.510 5.849 -4.977 1.00 0.00 H new ATOM 0 HB2 LEU A 99 7.632 4.127 -3.324 1.00 0.00 H new ATOM 0 HB3 LEU A 99 7.564 4.382 -5.057 1.00 0.00 H new ATOM 0 HG LEU A 99 9.789 2.948 -3.577 1.00 0.00 H new ATOM 0 HD11 LEU A 99 8.886 0.926 -4.655 1.00 0.00 H new ATOM 0 HD12 LEU A 99 7.696 1.683 -3.570 1.00 0.00 H new ATOM 0 HD13 LEU A 99 7.551 1.888 -5.332 1.00 0.00 H new ATOM 0 HD21 LEU A 99 10.562 2.306 -5.827 1.00 0.00 H new ATOM 0 HD22 LEU A 99 9.292 3.322 -6.549 1.00 0.00 H new ATOM 0 HD23 LEU A 99 10.596 4.070 -5.597 1.00 0.00 H new ATOM 1493 N LEU A 100 7.538 6.782 -2.499 1.00 0.00 N ATOM 1494 CA LEU A 100 6.589 7.806 -2.078 1.00 0.00 C ATOM 1495 C LEU A 100 7.277 9.160 -1.934 1.00 0.00 C ATOM 1496 O LEU A 100 6.804 10.166 -2.462 1.00 0.00 O ATOM 1497 CB LEU A 100 5.936 7.411 -0.752 1.00 0.00 C ATOM 1498 CG LEU A 100 5.384 5.987 -0.675 1.00 0.00 C ATOM 1499 CD1 LEU A 100 5.187 5.568 0.774 1.00 0.00 C ATOM 1500 CD2 LEU A 100 4.076 5.879 -1.446 1.00 0.00 C ATOM 0 H LEU A 100 7.801 6.124 -1.765 1.00 0.00 H new ATOM 0 HA LEU A 100 5.819 7.889 -2.845 1.00 0.00 H new ATOM 0 HB2 LEU A 100 6.670 7.539 0.044 1.00 0.00 H new ATOM 0 HB3 LEU A 100 5.122 8.107 -0.549 1.00 0.00 H new ATOM 0 HG LEU A 100 6.108 5.312 -1.131 1.00 0.00 H new ATOM 0 HD11 LEU A 100 4.794 4.552 0.809 1.00 0.00 H new ATOM 0 HD12 LEU A 100 6.143 5.605 1.297 1.00 0.00 H new ATOM 0 HD13 LEU A 100 4.483 6.246 1.256 1.00 0.00 H new ATOM 0 HD21 LEU A 100 3.698 4.859 -1.380 1.00 0.00 H new ATOM 0 HD22 LEU A 100 3.344 6.565 -1.019 1.00 0.00 H new ATOM 0 HD23 LEU A 100 4.248 6.136 -2.491 1.00 0.00 H new ATOM 1512 N GLN A 101 8.397 9.176 -1.218 1.00 0.00 N ATOM 1513 CA GLN A 101 9.151 10.406 -1.007 1.00 0.00 C ATOM 1514 C GLN A 101 9.698 10.942 -2.326 1.00 0.00 C ATOM 1515 O GLN A 101 10.139 12.089 -2.405 1.00 0.00 O ATOM 1516 CB GLN A 101 10.299 10.164 -0.026 1.00 0.00 C ATOM 1517 CG GLN A 101 9.852 9.562 1.297 1.00 0.00 C ATOM 1518 CD GLN A 101 10.810 9.868 2.431 1.00 0.00 C ATOM 1519 OE1 GLN A 101 10.609 10.817 3.189 1.00 0.00 O ATOM 1520 NE2 GLN A 101 11.860 9.064 2.553 1.00 0.00 N ATOM 0 H GLN A 101 8.802 8.351 -0.775 1.00 0.00 H new ATOM 0 HA GLN A 101 8.474 11.150 -0.586 1.00 0.00 H new ATOM 0 HB2 GLN A 101 11.028 9.500 -0.490 1.00 0.00 H new ATOM 0 HB3 GLN A 101 10.806 11.109 0.167 1.00 0.00 H new ATOM 0 HG2 GLN A 101 8.863 9.943 1.549 1.00 0.00 H new ATOM 0 HG3 GLN A 101 9.759 8.482 1.187 1.00 0.00 H new ATOM 0 HE21 GLN A 101 11.987 8.289 1.902 1.00 0.00 H new ATOM 0 HE22 GLN A 101 12.539 9.221 3.298 1.00 0.00 H new ATOM 1529 N GLN A 102 9.666 10.106 -3.358 1.00 0.00 N ATOM 1530 CA GLN A 102 10.160 10.496 -4.673 1.00 0.00 C ATOM 1531 C GLN A 102 9.004 10.759 -5.633 1.00 0.00 C ATOM 1532 O GLN A 102 8.766 11.896 -6.040 1.00 0.00 O ATOM 1533 CB GLN A 102 11.074 9.410 -5.241 1.00 0.00 C ATOM 1534 CG GLN A 102 12.422 9.322 -4.543 1.00 0.00 C ATOM 1535 CD GLN A 102 13.501 8.732 -5.430 1.00 0.00 C ATOM 1536 OE1 GLN A 102 14.043 9.410 -6.303 1.00 0.00 O ATOM 1537 NE2 GLN A 102 13.819 7.462 -5.210 1.00 0.00 N ATOM 0 H GLN A 102 9.303 9.154 -3.309 1.00 0.00 H new ATOM 0 HA GLN A 102 10.731 11.418 -4.560 1.00 0.00 H new ATOM 0 HB2 GLN A 102 10.571 8.446 -5.164 1.00 0.00 H new ATOM 0 HB3 GLN A 102 11.235 9.601 -6.302 1.00 0.00 H new ATOM 0 HG2 GLN A 102 12.726 10.318 -4.221 1.00 0.00 H new ATOM 0 HG3 GLN A 102 12.323 8.713 -3.644 1.00 0.00 H new ATOM 0 HE21 GLN A 102 13.344 6.937 -4.475 1.00 0.00 H new ATOM 0 HE22 GLN A 102 14.538 7.011 -5.775 1.00 0.00 H new ATOM 1546 N THR A 103 8.288 9.698 -5.993 1.00 0.00 N ATOM 1547 CA THR A 103 7.158 9.813 -6.907 1.00 0.00 C ATOM 1548 C THR A 103 6.416 11.128 -6.700 1.00 0.00 C ATOM 1549 O THR A 103 5.884 11.391 -5.621 1.00 0.00 O ATOM 1550 CB THR A 103 6.170 8.645 -6.727 1.00 0.00 C ATOM 1551 OG1 THR A 103 6.718 7.448 -7.291 1.00 0.00 O ATOM 1552 CG2 THR A 103 4.836 8.959 -7.389 1.00 0.00 C ATOM 0 H THR A 103 8.471 8.749 -5.665 1.00 0.00 H new ATOM 0 HA THR A 103 7.564 9.783 -7.918 1.00 0.00 H new ATOM 0 HB THR A 103 6.003 8.500 -5.660 1.00 0.00 H new ATOM 0 HG1 THR A 103 7.266 6.991 -6.619 1.00 0.00 H new ATOM 0 HG21 THR A 103 4.154 8.120 -7.249 1.00 0.00 H new ATOM 0 HG22 THR A 103 4.408 9.854 -6.938 1.00 0.00 H new ATOM 0 HG23 THR A 103 4.990 9.128 -8.455 1.00 0.00 H new ATOM 1560 N THR A 104 6.383 11.953 -7.742 1.00 0.00 N ATOM 1561 CA THR A 104 5.706 13.242 -7.675 1.00 0.00 C ATOM 1562 C THR A 104 4.303 13.158 -8.266 1.00 0.00 C ATOM 1563 O THR A 104 3.901 12.120 -8.791 1.00 0.00 O ATOM 1564 CB THR A 104 6.499 14.333 -8.419 1.00 0.00 C ATOM 1565 OG1 THR A 104 7.173 13.765 -9.547 1.00 0.00 O ATOM 1566 CG2 THR A 104 7.512 14.991 -7.495 1.00 0.00 C ATOM 0 H THR A 104 6.817 11.751 -8.643 1.00 0.00 H new ATOM 0 HA THR A 104 5.638 13.508 -6.620 1.00 0.00 H new ATOM 0 HB THR A 104 5.796 15.093 -8.761 1.00 0.00 H new ATOM 0 HG1 THR A 104 7.673 14.465 -10.016 1.00 0.00 H new ATOM 0 HG21 THR A 104 8.060 15.758 -8.043 1.00 0.00 H new ATOM 0 HG22 THR A 104 6.993 15.448 -6.652 1.00 0.00 H new ATOM 0 HG23 THR A 104 8.210 14.240 -7.127 1.00 0.00 H new ATOM 1574 N GLY A 105 3.561 14.258 -8.177 1.00 0.00 N ATOM 1575 CA GLY A 105 2.211 14.287 -8.708 1.00 0.00 C ATOM 1576 C GLY A 105 1.423 13.041 -8.356 1.00 0.00 C ATOM 1577 O GLY A 105 1.757 12.334 -7.405 1.00 0.00 O ATOM 0 H GLY A 105 3.871 15.129 -7.747 1.00 0.00 H new ATOM 0 HA2 GLY A 105 1.691 15.163 -8.322 1.00 0.00 H new ATOM 0 HA3 GLY A 105 2.252 14.393 -9.792 1.00 0.00 H new ATOM 1581 N SER A 106 0.372 12.770 -9.124 1.00 0.00 N ATOM 1582 CA SER A 106 -0.470 11.604 -8.885 1.00 0.00 C ATOM 1583 C SER A 106 0.358 10.437 -8.354 1.00 0.00 C ATOM 1584 O SER A 106 1.426 10.127 -8.883 1.00 0.00 O ATOM 1585 CB SER A 106 -1.185 11.192 -10.173 1.00 0.00 C ATOM 1586 OG SER A 106 -0.256 10.900 -11.202 1.00 0.00 O ATOM 0 H SER A 106 0.084 13.343 -9.917 1.00 0.00 H new ATOM 0 HA SER A 106 -1.214 11.871 -8.135 1.00 0.00 H new ATOM 0 HB2 SER A 106 -1.808 10.318 -9.983 1.00 0.00 H new ATOM 0 HB3 SER A 106 -1.850 11.993 -10.496 1.00 0.00 H new ATOM 0 HG SER A 106 -0.739 10.638 -12.014 1.00 0.00 H new ATOM 1592 N LEU A 107 -0.144 9.793 -7.306 1.00 0.00 N ATOM 1593 CA LEU A 107 0.548 8.659 -6.702 1.00 0.00 C ATOM 1594 C LEU A 107 -0.416 7.503 -6.455 1.00 0.00 C ATOM 1595 O LEU A 107 -1.198 7.527 -5.505 1.00 0.00 O ATOM 1596 CB LEU A 107 1.206 9.079 -5.387 1.00 0.00 C ATOM 1597 CG LEU A 107 1.732 7.945 -4.507 1.00 0.00 C ATOM 1598 CD1 LEU A 107 3.000 7.352 -5.101 1.00 0.00 C ATOM 1599 CD2 LEU A 107 1.987 8.443 -3.092 1.00 0.00 C ATOM 0 H LEU A 107 -1.027 10.036 -6.857 1.00 0.00 H new ATOM 0 HA LEU A 107 1.319 8.324 -7.396 1.00 0.00 H new ATOM 0 HB2 LEU A 107 2.035 9.748 -5.616 1.00 0.00 H new ATOM 0 HB3 LEU A 107 0.482 9.654 -4.809 1.00 0.00 H new ATOM 0 HG LEU A 107 0.974 7.162 -4.465 1.00 0.00 H new ATOM 0 HD11 LEU A 107 3.360 6.546 -4.461 1.00 0.00 H new ATOM 0 HD12 LEU A 107 2.787 6.958 -6.095 1.00 0.00 H new ATOM 0 HD13 LEU A 107 3.764 8.126 -5.174 1.00 0.00 H new ATOM 0 HD21 LEU A 107 2.361 7.623 -2.479 1.00 0.00 H new ATOM 0 HD22 LEU A 107 2.726 9.244 -3.116 1.00 0.00 H new ATOM 0 HD23 LEU A 107 1.057 8.819 -2.666 1.00 0.00 H new ATOM 1611 N ARG A 108 -0.351 6.491 -7.314 1.00 0.00 N ATOM 1612 CA ARG A 108 -1.217 5.325 -7.188 1.00 0.00 C ATOM 1613 C ARG A 108 -0.654 4.337 -6.171 1.00 0.00 C ATOM 1614 O ARG A 108 0.500 3.916 -6.270 1.00 0.00 O ATOM 1615 CB ARG A 108 -1.384 4.637 -8.544 1.00 0.00 C ATOM 1616 CG ARG A 108 -2.707 3.906 -8.698 1.00 0.00 C ATOM 1617 CD ARG A 108 -2.579 2.712 -9.631 1.00 0.00 C ATOM 1618 NE ARG A 108 -2.546 3.116 -11.034 1.00 0.00 N ATOM 1619 CZ ARG A 108 -2.803 2.290 -12.043 1.00 0.00 C ATOM 1620 NH1 ARG A 108 -3.111 1.023 -11.804 1.00 0.00 N ATOM 1621 NH2 ARG A 108 -2.753 2.732 -13.293 1.00 0.00 N ATOM 0 H ARG A 108 0.292 6.455 -8.105 1.00 0.00 H new ATOM 0 HA ARG A 108 -2.192 5.665 -6.838 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -1.297 5.383 -9.334 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -0.568 3.928 -8.685 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -3.054 3.570 -7.721 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -3.460 4.592 -9.085 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -1.670 2.160 -9.391 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -3.416 2.033 -9.469 1.00 0.00 H new ATOM 0 HE ARG A 108 -2.313 4.085 -11.251 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -3.151 0.680 -10.844 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -3.308 0.391 -12.580 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -2.517 3.707 -13.480 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -2.950 2.097 -14.067 1.00 0.00 H new ATOM 1635 N LEU A 109 -1.475 3.970 -5.192 1.00 0.00 N ATOM 1636 CA LEU A 109 -1.058 3.032 -4.156 1.00 0.00 C ATOM 1637 C LEU A 109 -2.029 1.859 -4.062 1.00 0.00 C ATOM 1638 O LEU A 109 -3.194 2.031 -3.704 1.00 0.00 O ATOM 1639 CB LEU A 109 -0.967 3.742 -2.804 1.00 0.00 C ATOM 1640 CG LEU A 109 -0.023 4.943 -2.739 1.00 0.00 C ATOM 1641 CD1 LEU A 109 -0.158 5.656 -1.403 1.00 0.00 C ATOM 1642 CD2 LEU A 109 1.415 4.504 -2.969 1.00 0.00 C ATOM 0 H LEU A 109 -2.432 4.308 -5.095 1.00 0.00 H new ATOM 0 HA LEU A 109 -0.074 2.646 -4.424 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -1.966 4.075 -2.523 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -0.651 3.016 -2.055 1.00 0.00 H new ATOM 0 HG LEU A 109 -0.299 5.641 -3.529 1.00 0.00 H new ATOM 0 HD11 LEU A 109 0.521 6.508 -1.375 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -1.183 6.005 -1.279 1.00 0.00 H new ATOM 0 HD13 LEU A 109 0.091 4.967 -0.596 1.00 0.00 H new ATOM 0 HD21 LEU A 109 2.073 5.372 -2.919 1.00 0.00 H new ATOM 0 HD22 LEU A 109 1.703 3.786 -2.202 1.00 0.00 H new ATOM 0 HD23 LEU A 109 1.501 4.039 -3.951 1.00 0.00 H new ATOM 1654 N ILE A 110 -1.539 0.666 -4.385 1.00 0.00 N ATOM 1655 CA ILE A 110 -2.362 -0.536 -4.333 1.00 0.00 C ATOM 1656 C ILE A 110 -2.238 -1.230 -2.982 1.00 0.00 C ATOM 1657 O ILE A 110 -1.273 -1.951 -2.728 1.00 0.00 O ATOM 1658 CB ILE A 110 -1.978 -1.529 -5.445 1.00 0.00 C ATOM 1659 CG1 ILE A 110 -2.197 -0.898 -6.822 1.00 0.00 C ATOM 1660 CG2 ILE A 110 -2.783 -2.813 -5.311 1.00 0.00 C ATOM 1661 CD1 ILE A 110 -1.608 -1.705 -7.958 1.00 0.00 C ATOM 0 H ILE A 110 -0.577 0.507 -4.685 1.00 0.00 H new ATOM 0 HA ILE A 110 -3.394 -0.218 -4.481 1.00 0.00 H new ATOM 0 HB ILE A 110 -0.921 -1.774 -5.343 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -3.267 -0.776 -6.991 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -1.757 0.099 -6.830 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -2.500 -3.505 -6.105 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -2.581 -3.270 -4.342 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -3.846 -2.586 -5.390 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -1.801 -1.198 -8.903 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -0.532 -1.805 -7.813 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -2.065 -2.694 -7.977 1.00 0.00 H new ATOM 1673 N VAL A 111 -3.223 -1.009 -2.116 1.00 0.00 N ATOM 1674 CA VAL A 111 -3.226 -1.616 -0.790 1.00 0.00 C ATOM 1675 C VAL A 111 -4.233 -2.758 -0.711 1.00 0.00 C ATOM 1676 O VAL A 111 -5.174 -2.824 -1.500 1.00 0.00 O ATOM 1677 CB VAL A 111 -3.554 -0.579 0.301 1.00 0.00 C ATOM 1678 CG1 VAL A 111 -2.590 0.595 0.230 1.00 0.00 C ATOM 1679 CG2 VAL A 111 -4.994 -0.106 0.169 1.00 0.00 C ATOM 0 H VAL A 111 -4.029 -0.414 -2.309 1.00 0.00 H new ATOM 0 HA VAL A 111 -2.223 -2.008 -0.618 1.00 0.00 H new ATOM 0 HB VAL A 111 -3.439 -1.053 1.276 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -2.838 1.317 1.008 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -1.571 0.238 0.377 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -2.670 1.073 -0.746 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -5.209 0.626 0.947 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -5.138 0.352 -0.810 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -5.667 -0.957 0.275 1.00 0.00 H new ATOM 1689 N ALA A 112 -4.027 -3.655 0.248 1.00 0.00 N ATOM 1690 CA ALA A 112 -4.918 -4.793 0.433 1.00 0.00 C ATOM 1691 C ALA A 112 -5.911 -4.535 1.561 1.00 0.00 C ATOM 1692 O ALA A 112 -5.658 -3.722 2.450 1.00 0.00 O ATOM 1693 CB ALA A 112 -4.113 -6.053 0.713 1.00 0.00 C ATOM 0 H ALA A 112 -3.251 -3.615 0.909 1.00 0.00 H new ATOM 0 HA ALA A 112 -5.484 -4.934 -0.488 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -4.791 -6.895 0.849 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -3.448 -6.254 -0.127 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -3.522 -5.913 1.618 1.00 0.00 H new ATOM 1699 N ARG A 113 -7.042 -5.232 1.518 1.00 0.00 N ATOM 1700 CA ARG A 113 -8.074 -5.077 2.536 1.00 0.00 C ATOM 1701 C ARG A 113 -8.456 -6.428 3.133 1.00 0.00 C ATOM 1702 O ARG A 113 -8.287 -7.468 2.498 1.00 0.00 O ATOM 1703 CB ARG A 113 -9.311 -4.403 1.939 1.00 0.00 C ATOM 1704 CG ARG A 113 -10.065 -3.529 2.928 1.00 0.00 C ATOM 1705 CD ARG A 113 -10.949 -2.517 2.216 1.00 0.00 C ATOM 1706 NE ARG A 113 -10.174 -1.609 1.375 1.00 0.00 N ATOM 1707 CZ ARG A 113 -9.597 -0.501 1.828 1.00 0.00 C ATOM 1708 NH1 ARG A 113 -9.707 -0.167 3.106 1.00 0.00 N ATOM 1709 NH2 ARG A 113 -8.908 0.275 1.001 1.00 0.00 N ATOM 0 H ARG A 113 -7.267 -5.909 0.789 1.00 0.00 H new ATOM 0 HA ARG A 113 -7.674 -4.448 3.331 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -9.007 -3.794 1.087 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -9.985 -5.171 1.558 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -10.677 -4.156 3.576 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -9.355 -3.006 3.568 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -11.681 -3.043 1.603 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -11.507 -1.940 2.954 1.00 0.00 H new ATOM 0 HE ARG A 113 -10.070 -1.838 0.386 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -10.236 -0.761 3.745 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -9.263 0.684 3.451 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -8.821 0.021 0.017 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -8.465 1.125 1.349 1.00 0.00 H new ATOM 1723 N GLU A 114 -8.972 -6.403 4.358 1.00 0.00 N ATOM 1724 CA GLU A 114 -9.376 -7.627 5.041 1.00 0.00 C ATOM 1725 C GLU A 114 -10.897 -7.730 5.118 1.00 0.00 C ATOM 1726 O GLU A 114 -11.592 -6.776 5.468 1.00 0.00 O ATOM 1727 CB GLU A 114 -8.779 -7.672 6.450 1.00 0.00 C ATOM 1728 CG GLU A 114 -9.220 -8.880 7.259 1.00 0.00 C ATOM 1729 CD GLU A 114 -8.594 -8.917 8.639 1.00 0.00 C ATOM 1730 OE1 GLU A 114 -9.089 -8.200 9.534 1.00 0.00 O ATOM 1731 OE2 GLU A 114 -7.610 -9.663 8.826 1.00 0.00 O ATOM 0 H GLU A 114 -9.120 -5.550 4.897 1.00 0.00 H new ATOM 0 HA GLU A 114 -9.000 -8.474 4.467 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -7.692 -7.673 6.375 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -9.061 -6.765 6.984 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -10.306 -8.871 7.357 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -8.956 -9.790 6.720 1.00 0.00 H new