USER MOD reduce.3.24.130724 H: found=0, std=0, add=647, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 648 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 102 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 103 THR OG1 : rot 180:sc= -0.105 USER MOD Set 2.1: A 62 ASN : amide:sc= -1.49 K(o=-1.4,f=-2.8!) USER MOD Set 2.2: A 65 SER OG : rot 180:sc= 0.0612 USER MOD Set 3.1: A 60 SER OG : rot 105:sc= 0.371 USER MOD Set 3.2: A 104 ASN : amide:sc= 1.21 K(o=1.6,f=0.37!) USER MOD Set 4.1: A 36 ASN : amide:sc= -1.7! C(o=-2.4!,f=-10!) USER MOD Set 4.2: A 37 SER OG : rot 85:sc= 0.184 USER MOD Set 4.3: A 92 LYS NZ :NH3+ 164:sc= -2.11! (180deg=-3.56!) USER MOD Set 4.4: A 93 ASN : amide:sc= 1.18 K(o=-2.4,f=-5.6) USER MOD Set 5.1: A 28 ASN : amide:sc= 0.911 X(o=1.6,f=1.7) USER MOD Set 5.2: A 31 SER OG : rot 180:sc= 0.676 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.128 USER MOD Single : A 15 SER OG : rot -123:sc= 1.12 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 THR OG1 : rot 92:sc= 1.29 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.112 USER MOD Single : A 41 THR OG1 : rot 149:sc= 0.0422 USER MOD Single : A 42 ASN : amide:sc= -0.114 X(o=-0.11,f=0) USER MOD Single : A 43 ASN : amide:sc= 0.123 X(o=0.12,f=0) USER MOD Single : A 45 SER OG : rot 76:sc= 0.142 USER MOD Single : A 48 SER OG : rot 76:sc= 0.184 USER MOD Single : A 57 ASN : amide:sc= -0.617 K(o=-0.62,f=-4.1!) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0.0931 USER MOD Single : A 69 LYS NZ :NH3+ -172:sc= 2.34 (180deg=2.3) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= -0.658 K(o=-0.66,f=-0.099) USER MOD Single : A 84 HIS : no HD1:sc= 0 X(o=0,f=-0.023) USER MOD Single : A 85 THR OG1 : rot 32:sc= 0.347 USER MOD ----------------------------------------------------------------- ATOM 156 N LEU A 12 9.886 0.297 2.004 1.00 0.00 N ATOM 157 CA LEU A 12 9.227 1.549 2.330 1.00 0.00 C ATOM 158 C LEU A 12 10.258 2.672 2.468 1.00 0.00 C ATOM 159 O LEU A 12 9.962 3.840 2.222 1.00 0.00 O ATOM 160 CB LEU A 12 8.425 1.402 3.626 1.00 0.00 C ATOM 161 CG LEU A 12 7.039 2.047 3.606 1.00 0.00 C ATOM 162 CD1 LEU A 12 7.166 3.557 3.591 1.00 0.00 C ATOM 163 CD2 LEU A 12 6.241 1.570 2.403 1.00 0.00 C ATOM 0 HA LEU A 12 8.542 1.804 1.522 1.00 0.00 H new ATOM 0 HB2 LEU A 12 8.312 0.341 3.847 1.00 0.00 H new ATOM 0 HB3 LEU A 12 9.000 1.838 4.443 1.00 0.00 H new ATOM 0 HG LEU A 12 6.506 1.748 4.509 1.00 0.00 H new ATOM 0 HD11 LEU A 12 6.173 4.006 3.577 1.00 0.00 H new ATOM 0 HD12 LEU A 12 7.700 3.886 4.482 1.00 0.00 H new ATOM 0 HD13 LEU A 12 7.717 3.867 2.703 1.00 0.00 H new ATOM 0 HD21 LEU A 12 5.258 2.041 2.408 1.00 0.00 H new ATOM 0 HD22 LEU A 12 6.767 1.839 1.487 1.00 0.00 H new ATOM 0 HD23 LEU A 12 6.124 0.487 2.450 1.00 0.00 H new ATOM 175 N ALA A 13 11.477 2.302 2.845 1.00 0.00 N ATOM 176 CA ALA A 13 12.560 3.269 3.037 1.00 0.00 C ATOM 177 C ALA A 13 12.940 3.957 1.726 1.00 0.00 C ATOM 178 O ALA A 13 13.403 5.100 1.726 1.00 0.00 O ATOM 179 CB ALA A 13 13.780 2.586 3.639 1.00 0.00 C ATOM 0 H ALA A 13 11.744 1.334 3.025 1.00 0.00 H new ATOM 0 HA ALA A 13 12.200 4.033 3.725 1.00 0.00 H new ATOM 0 HB1 ALA A 13 14.576 3.318 3.776 1.00 0.00 H new ATOM 0 HB2 ALA A 13 13.516 2.153 4.604 1.00 0.00 H new ATOM 0 HB3 ALA A 13 14.123 1.797 2.969 1.00 0.00 H new ATOM 185 N THR A 14 12.743 3.255 0.616 1.00 0.00 N ATOM 186 CA THR A 14 13.064 3.788 -0.701 1.00 0.00 C ATOM 187 C THR A 14 12.057 4.852 -1.122 1.00 0.00 C ATOM 188 O THR A 14 12.372 5.758 -1.894 1.00 0.00 O ATOM 189 CB THR A 14 13.080 2.669 -1.756 1.00 0.00 C ATOM 190 OG1 THR A 14 12.587 1.445 -1.184 1.00 0.00 O ATOM 191 CG2 THR A 14 14.486 2.450 -2.288 1.00 0.00 C ATOM 0 H THR A 14 12.360 2.310 0.603 1.00 0.00 H new ATOM 0 HA THR A 14 14.055 4.238 -0.635 1.00 0.00 H new ATOM 0 HB THR A 14 12.436 2.970 -2.582 1.00 0.00 H new ATOM 0 HG1 THR A 14 12.599 0.738 -1.863 1.00 0.00 H new ATOM 0 HG21 THR A 14 14.473 1.654 -3.033 1.00 0.00 H new ATOM 0 HG22 THR A 14 14.849 3.370 -2.746 1.00 0.00 H new ATOM 0 HG23 THR A 14 15.146 2.168 -1.467 1.00 0.00 H new ATOM 199 N SER A 15 10.853 4.739 -0.596 1.00 0.00 N ATOM 200 CA SER A 15 9.765 5.630 -0.959 1.00 0.00 C ATOM 201 C SER A 15 9.748 6.878 -0.079 1.00 0.00 C ATOM 202 O SER A 15 8.825 7.083 0.711 1.00 0.00 O ATOM 203 CB SER A 15 8.444 4.881 -0.840 1.00 0.00 C ATOM 204 OG SER A 15 8.648 3.481 -0.953 1.00 0.00 O ATOM 0 H SER A 15 10.601 4.030 0.093 1.00 0.00 H new ATOM 0 HA SER A 15 9.912 5.958 -1.988 1.00 0.00 H new ATOM 0 HB2 SER A 15 7.976 5.109 0.118 1.00 0.00 H new ATOM 0 HB3 SER A 15 7.758 5.217 -1.618 1.00 0.00 H new ATOM 0 HG SER A 15 8.105 3.130 -1.690 1.00 0.00 H new ATOM 210 N ALA A 16 10.756 7.725 -0.238 1.00 0.00 N ATOM 211 CA ALA A 16 10.809 8.982 0.492 1.00 0.00 C ATOM 212 C ALA A 16 9.723 9.910 -0.031 1.00 0.00 C ATOM 213 O ALA A 16 9.167 10.729 0.705 1.00 0.00 O ATOM 214 CB ALA A 16 12.179 9.626 0.351 1.00 0.00 C ATOM 0 H ALA A 16 11.545 7.564 -0.864 1.00 0.00 H new ATOM 0 HA ALA A 16 10.639 8.791 1.551 1.00 0.00 H new ATOM 0 HB1 ALA A 16 12.198 10.565 0.904 1.00 0.00 H new ATOM 0 HB2 ALA A 16 12.939 8.954 0.749 1.00 0.00 H new ATOM 0 HB3 ALA A 16 12.383 9.821 -0.702 1.00 0.00 H new ATOM 220 N ALA A 17 9.431 9.759 -1.318 1.00 0.00 N ATOM 221 CA ALA A 17 8.341 10.473 -1.962 1.00 0.00 C ATOM 222 C ALA A 17 6.993 10.071 -1.360 1.00 0.00 C ATOM 223 O ALA A 17 6.056 10.864 -1.328 1.00 0.00 O ATOM 224 CB ALA A 17 8.353 10.206 -3.463 1.00 0.00 C ATOM 0 H ALA A 17 9.945 9.137 -1.942 1.00 0.00 H new ATOM 0 HA ALA A 17 8.483 11.540 -1.792 1.00 0.00 H new ATOM 0 HB1 ALA A 17 7.532 10.746 -3.935 1.00 0.00 H new ATOM 0 HB2 ALA A 17 9.300 10.543 -3.885 1.00 0.00 H new ATOM 0 HB3 ALA A 17 8.236 9.137 -3.643 1.00 0.00 H new ATOM 230 N PHE A 18 6.909 8.837 -0.875 1.00 0.00 N ATOM 231 CA PHE A 18 5.680 8.336 -0.264 1.00 0.00 C ATOM 232 C PHE A 18 5.610 8.743 1.204 1.00 0.00 C ATOM 233 O PHE A 18 4.529 8.948 1.753 1.00 0.00 O ATOM 234 CB PHE A 18 5.599 6.808 -0.391 1.00 0.00 C ATOM 235 CG PHE A 18 4.444 6.189 0.360 1.00 0.00 C ATOM 236 CD1 PHE A 18 3.140 6.368 -0.074 1.00 0.00 C ATOM 237 CD2 PHE A 18 4.666 5.444 1.510 1.00 0.00 C ATOM 238 CE1 PHE A 18 2.081 5.805 0.616 1.00 0.00 C ATOM 239 CE2 PHE A 18 3.612 4.881 2.203 1.00 0.00 C ATOM 240 CZ PHE A 18 2.319 5.067 1.758 1.00 0.00 C ATOM 0 H PHE A 18 7.676 8.165 -0.892 1.00 0.00 H new ATOM 0 HA PHE A 18 4.833 8.776 -0.791 1.00 0.00 H new ATOM 0 HB2 PHE A 18 5.516 6.545 -1.446 1.00 0.00 H new ATOM 0 HB3 PHE A 18 6.530 6.374 -0.027 1.00 0.00 H new ATOM 0 HD1 PHE A 18 2.948 6.954 -0.961 1.00 0.00 H new ATOM 0 HD2 PHE A 18 5.675 5.303 1.867 1.00 0.00 H new ATOM 0 HE1 PHE A 18 1.070 5.943 0.262 1.00 0.00 H new ATOM 0 HE2 PHE A 18 3.799 4.296 3.091 1.00 0.00 H new ATOM 0 HZ PHE A 18 1.493 4.635 2.303 1.00 0.00 H new ATOM 250 N ALA A 19 6.769 8.885 1.829 1.00 0.00 N ATOM 251 CA ALA A 19 6.844 9.232 3.243 1.00 0.00 C ATOM 252 C ALA A 19 6.413 10.673 3.501 1.00 0.00 C ATOM 253 O ALA A 19 6.317 11.107 4.651 1.00 0.00 O ATOM 254 CB ALA A 19 8.248 8.991 3.766 1.00 0.00 C ATOM 0 H ALA A 19 7.676 8.765 1.378 1.00 0.00 H new ATOM 0 HA ALA A 19 6.148 8.588 3.780 1.00 0.00 H new ATOM 0 HB1 ALA A 19 8.293 9.253 4.823 1.00 0.00 H new ATOM 0 HB2 ALA A 19 8.507 7.939 3.642 1.00 0.00 H new ATOM 0 HB3 ALA A 19 8.954 9.607 3.209 1.00 0.00 H new ATOM 260 N LYS A 20 6.132 11.409 2.434 1.00 0.00 N ATOM 261 CA LYS A 20 5.636 12.769 2.559 1.00 0.00 C ATOM 262 C LYS A 20 4.136 12.708 2.778 1.00 0.00 C ATOM 263 O LYS A 20 3.529 13.594 3.382 1.00 0.00 O ATOM 264 CB LYS A 20 5.960 13.583 1.300 1.00 0.00 C ATOM 265 CG LYS A 20 7.181 14.476 1.449 1.00 0.00 C ATOM 266 CD LYS A 20 8.358 13.952 0.644 1.00 0.00 C ATOM 267 CE LYS A 20 8.801 14.949 -0.414 1.00 0.00 C ATOM 268 NZ LYS A 20 10.269 15.174 -0.384 1.00 0.00 N ATOM 0 H LYS A 20 6.240 11.085 1.473 1.00 0.00 H new ATOM 0 HA LYS A 20 6.119 13.262 3.403 1.00 0.00 H new ATOM 0 HB2 LYS A 20 6.120 12.899 0.467 1.00 0.00 H new ATOM 0 HB3 LYS A 20 5.098 14.200 1.045 1.00 0.00 H new ATOM 0 HG2 LYS A 20 6.936 15.486 1.121 1.00 0.00 H new ATOM 0 HG3 LYS A 20 7.459 14.541 2.501 1.00 0.00 H new ATOM 0 HD2 LYS A 20 9.191 13.737 1.314 1.00 0.00 H new ATOM 0 HD3 LYS A 20 8.083 13.012 0.166 1.00 0.00 H new ATOM 0 HE2 LYS A 20 8.510 14.586 -1.400 1.00 0.00 H new ATOM 0 HE3 LYS A 20 8.285 15.897 -0.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 10.530 15.860 -1.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 10.544 15.545 0.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 10.762 14.275 -0.558 1.00 0.00 H new ATOM 282 N GLN A 21 3.560 11.610 2.309 1.00 0.00 N ATOM 283 CA GLN A 21 2.136 11.366 2.422 1.00 0.00 C ATOM 284 C GLN A 21 1.758 11.015 3.855 1.00 0.00 C ATOM 285 O GLN A 21 0.636 11.266 4.293 1.00 0.00 O ATOM 286 CB GLN A 21 1.731 10.238 1.480 1.00 0.00 C ATOM 287 CG GLN A 21 0.483 10.558 0.696 1.00 0.00 C ATOM 288 CD GLN A 21 0.761 10.776 -0.778 1.00 0.00 C ATOM 289 OE1 GLN A 21 1.421 11.741 -1.158 1.00 0.00 O ATOM 290 NE2 GLN A 21 0.260 9.884 -1.617 1.00 0.00 N ATOM 0 H GLN A 21 4.072 10.864 1.839 1.00 0.00 H new ATOM 0 HA GLN A 21 1.604 12.276 2.144 1.00 0.00 H new ATOM 0 HB2 GLN A 21 2.549 10.036 0.788 1.00 0.00 H new ATOM 0 HB3 GLN A 21 1.570 9.328 2.057 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -0.232 9.744 0.811 1.00 0.00 H new ATOM 0 HG3 GLN A 21 0.017 11.452 1.110 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -0.282 9.097 -1.261 1.00 0.00 H new ATOM 0 HE22 GLN A 21 0.416 9.983 -2.620 1.00 0.00 H new ATOM 299 N ALA A 22 2.706 10.450 4.584 1.00 0.00 N ATOM 300 CA ALA A 22 2.486 10.098 5.980 1.00 0.00 C ATOM 301 C ALA A 22 2.386 11.348 6.845 1.00 0.00 C ATOM 302 O ALA A 22 1.993 11.285 8.009 1.00 0.00 O ATOM 303 CB ALA A 22 3.608 9.197 6.473 1.00 0.00 C ATOM 0 H ALA A 22 3.637 10.224 4.233 1.00 0.00 H new ATOM 0 HA ALA A 22 1.542 9.559 6.056 1.00 0.00 H new ATOM 0 HB1 ALA A 22 3.435 8.939 7.518 1.00 0.00 H new ATOM 0 HB2 ALA A 22 3.634 8.287 5.874 1.00 0.00 H new ATOM 0 HB3 ALA A 22 4.561 9.719 6.381 1.00 0.00 H new ATOM 309 N GLU A 23 2.739 12.484 6.259 1.00 0.00 N ATOM 310 CA GLU A 23 2.726 13.751 6.969 1.00 0.00 C ATOM 311 C GLU A 23 1.492 14.574 6.603 1.00 0.00 C ATOM 312 O GLU A 23 0.805 15.104 7.480 1.00 0.00 O ATOM 313 CB GLU A 23 3.996 14.535 6.648 1.00 0.00 C ATOM 314 CG GLU A 23 4.186 15.765 7.512 1.00 0.00 C ATOM 315 CD GLU A 23 5.638 16.177 7.603 1.00 0.00 C ATOM 316 OE1 GLU A 23 6.449 15.697 6.779 1.00 0.00 O ATOM 317 OE2 GLU A 23 5.978 16.969 8.504 1.00 0.00 O ATOM 0 H GLU A 23 3.040 12.551 5.287 1.00 0.00 H new ATOM 0 HA GLU A 23 2.688 13.546 8.039 1.00 0.00 H new ATOM 0 HB2 GLU A 23 4.858 13.879 6.770 1.00 0.00 H new ATOM 0 HB3 GLU A 23 3.971 14.837 5.601 1.00 0.00 H new ATOM 0 HG2 GLU A 23 3.601 16.589 7.103 1.00 0.00 H new ATOM 0 HG3 GLU A 23 3.802 15.567 8.513 1.00 0.00 H new ATOM 324 N GLY A 24 1.223 14.677 5.305 1.00 0.00 N ATOM 325 CA GLY A 24 0.107 15.480 4.830 1.00 0.00 C ATOM 326 C GLY A 24 -1.239 14.848 5.125 1.00 0.00 C ATOM 327 O GLY A 24 -2.164 15.524 5.575 1.00 0.00 O ATOM 0 H GLY A 24 1.760 14.217 4.570 1.00 0.00 H new ATOM 0 HA2 GLY A 24 0.150 16.465 5.295 1.00 0.00 H new ATOM 0 HA3 GLY A 24 0.205 15.630 3.755 1.00 0.00 H new ATOM 331 N THR A 25 -1.349 13.551 4.870 1.00 0.00 N ATOM 332 CA THR A 25 -2.597 12.831 5.089 1.00 0.00 C ATOM 333 C THR A 25 -2.687 12.321 6.524 1.00 0.00 C ATOM 334 O THR A 25 -1.709 11.806 7.073 1.00 0.00 O ATOM 335 CB THR A 25 -2.723 11.655 4.105 1.00 0.00 C ATOM 336 OG1 THR A 25 -1.667 11.725 3.138 1.00 0.00 O ATOM 337 CG2 THR A 25 -4.065 11.682 3.387 1.00 0.00 C ATOM 0 H THR A 25 -0.588 12.975 4.511 1.00 0.00 H new ATOM 0 HA THR A 25 -3.419 13.526 4.916 1.00 0.00 H new ATOM 0 HB THR A 25 -2.653 10.726 4.671 1.00 0.00 H new ATOM 0 HG1 THR A 25 -0.900 11.203 3.453 1.00 0.00 H new ATOM 0 HG21 THR A 25 -4.126 10.840 2.698 1.00 0.00 H new ATOM 0 HG22 THR A 25 -4.870 11.612 4.118 1.00 0.00 H new ATOM 0 HG23 THR A 25 -4.161 12.614 2.830 1.00 0.00 H new ATOM 345 N THR A 26 -3.854 12.477 7.134 1.00 0.00 N ATOM 346 CA THR A 26 -4.051 12.083 8.517 1.00 0.00 C ATOM 347 C THR A 26 -4.325 10.585 8.642 1.00 0.00 C ATOM 348 O THR A 26 -5.463 10.137 8.502 1.00 0.00 O ATOM 349 CB THR A 26 -5.220 12.873 9.132 1.00 0.00 C ATOM 350 OG1 THR A 26 -5.824 13.698 8.123 1.00 0.00 O ATOM 351 CG2 THR A 26 -4.742 13.746 10.282 1.00 0.00 C ATOM 0 H THR A 26 -4.680 12.876 6.688 1.00 0.00 H new ATOM 0 HA THR A 26 -3.131 12.307 9.057 1.00 0.00 H new ATOM 0 HB THR A 26 -5.951 12.163 9.519 1.00 0.00 H new ATOM 0 HG1 THR A 26 -6.569 14.200 8.514 1.00 0.00 H new ATOM 0 HG21 THR A 26 -5.587 14.294 10.699 1.00 0.00 H new ATOM 0 HG22 THR A 26 -4.299 13.119 11.055 1.00 0.00 H new ATOM 0 HG23 THR A 26 -3.997 14.453 9.917 1.00 0.00 H new ATOM 359 N CYS A 27 -3.273 9.827 8.921 1.00 0.00 N ATOM 360 CA CYS A 27 -3.379 8.387 9.140 1.00 0.00 C ATOM 361 C CYS A 27 -2.379 7.970 10.213 1.00 0.00 C ATOM 362 O CYS A 27 -1.661 8.810 10.756 1.00 0.00 O ATOM 363 CB CYS A 27 -3.112 7.609 7.841 1.00 0.00 C ATOM 364 SG CYS A 27 -4.349 7.867 6.526 1.00 0.00 S ATOM 0 H CYS A 27 -2.323 10.190 9.002 1.00 0.00 H new ATOM 0 HA CYS A 27 -4.393 8.155 9.467 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -2.132 7.893 7.459 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -3.067 6.545 8.074 1.00 0.00 H new ATOM 369 N ASN A 28 -2.330 6.682 10.516 1.00 0.00 N ATOM 370 CA ASN A 28 -1.395 6.166 11.507 1.00 0.00 C ATOM 371 C ASN A 28 -0.224 5.495 10.806 1.00 0.00 C ATOM 372 O ASN A 28 -0.424 4.737 9.861 1.00 0.00 O ATOM 373 CB ASN A 28 -2.100 5.177 12.443 1.00 0.00 C ATOM 374 CG ASN A 28 -1.162 4.544 13.458 1.00 0.00 C ATOM 375 OD1 ASN A 28 -0.302 5.214 14.033 1.00 0.00 O ATOM 376 ND2 ASN A 28 -1.310 3.246 13.673 1.00 0.00 N ATOM 0 H ASN A 28 -2.927 5.973 10.090 1.00 0.00 H new ATOM 0 HA ASN A 28 -1.020 6.995 12.108 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -2.901 5.694 12.971 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -2.565 4.391 11.848 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -0.700 2.766 14.335 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -2.034 2.726 13.177 1.00 0.00 H new ATOM 383 N VAL A 29 0.990 5.783 11.264 1.00 0.00 N ATOM 384 CA VAL A 29 2.199 5.248 10.639 1.00 0.00 C ATOM 385 C VAL A 29 2.241 3.716 10.725 1.00 0.00 C ATOM 386 O VAL A 29 2.794 3.054 9.851 1.00 0.00 O ATOM 387 CB VAL A 29 3.478 5.864 11.263 1.00 0.00 C ATOM 388 CG1 VAL A 29 3.864 5.164 12.560 1.00 0.00 C ATOM 389 CG2 VAL A 29 4.630 5.826 10.269 1.00 0.00 C ATOM 0 H VAL A 29 1.165 6.386 12.068 1.00 0.00 H new ATOM 0 HA VAL A 29 2.169 5.527 9.586 1.00 0.00 H new ATOM 0 HB VAL A 29 3.259 6.904 11.504 1.00 0.00 H new ATOM 0 HG11 VAL A 29 4.765 5.623 12.967 1.00 0.00 H new ATOM 0 HG12 VAL A 29 3.051 5.258 13.280 1.00 0.00 H new ATOM 0 HG13 VAL A 29 4.053 4.109 12.362 1.00 0.00 H new ATOM 0 HG21 VAL A 29 5.519 6.263 10.725 1.00 0.00 H new ATOM 0 HG22 VAL A 29 4.836 4.793 9.990 1.00 0.00 H new ATOM 0 HG23 VAL A 29 4.362 6.396 9.379 1.00 0.00 H new ATOM 399 N GLY A 30 1.626 3.160 11.767 1.00 0.00 N ATOM 400 CA GLY A 30 1.573 1.714 11.914 1.00 0.00 C ATOM 401 C GLY A 30 0.365 1.124 11.221 1.00 0.00 C ATOM 402 O GLY A 30 0.058 -0.057 11.379 1.00 0.00 O ATOM 0 H GLY A 30 1.164 3.684 12.511 1.00 0.00 H new ATOM 0 HA2 GLY A 30 2.480 1.273 11.501 1.00 0.00 H new ATOM 0 HA3 GLY A 30 1.547 1.457 12.973 1.00 0.00 H new ATOM 406 N SER A 31 -0.335 1.956 10.467 1.00 0.00 N ATOM 407 CA SER A 31 -1.520 1.527 9.748 1.00 0.00 C ATOM 408 C SER A 31 -1.687 2.337 8.467 1.00 0.00 C ATOM 409 O SER A 31 -2.787 2.779 8.133 1.00 0.00 O ATOM 410 CB SER A 31 -2.766 1.665 10.627 1.00 0.00 C ATOM 411 OG SER A 31 -2.475 1.362 11.985 1.00 0.00 O ATOM 0 H SER A 31 -0.099 2.940 10.338 1.00 0.00 H new ATOM 0 HA SER A 31 -1.398 0.476 9.485 1.00 0.00 H new ATOM 0 HB2 SER A 31 -3.155 2.681 10.554 1.00 0.00 H new ATOM 0 HB3 SER A 31 -3.547 0.998 10.262 1.00 0.00 H new ATOM 0 HG SER A 31 -3.288 1.460 12.523 1.00 0.00 H new ATOM 417 N ILE A 32 -0.588 2.548 7.762 1.00 0.00 N ATOM 418 CA ILE A 32 -0.644 3.239 6.488 1.00 0.00 C ATOM 419 C ILE A 32 -0.663 2.219 5.356 1.00 0.00 C ATOM 420 O ILE A 32 0.011 1.182 5.424 1.00 0.00 O ATOM 421 CB ILE A 32 0.512 4.257 6.314 1.00 0.00 C ATOM 422 CG1 ILE A 32 0.002 5.499 5.577 1.00 0.00 C ATOM 423 CG2 ILE A 32 1.704 3.647 5.585 1.00 0.00 C ATOM 424 CD1 ILE A 32 0.683 6.780 6.007 1.00 0.00 C ATOM 0 H ILE A 32 0.346 2.253 8.048 1.00 0.00 H new ATOM 0 HA ILE A 32 -1.564 3.822 6.460 1.00 0.00 H new ATOM 0 HB ILE A 32 0.860 4.545 7.306 1.00 0.00 H new ATOM 0 HG12 ILE A 32 0.148 5.361 4.506 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -1.071 5.594 5.742 1.00 0.00 H new ATOM 0 HG21 ILE A 32 2.491 4.395 5.485 1.00 0.00 H new ATOM 0 HG22 ILE A 32 2.082 2.797 6.153 1.00 0.00 H new ATOM 0 HG23 ILE A 32 1.393 3.313 4.595 1.00 0.00 H new ATOM 0 HD11 ILE A 32 0.272 7.618 5.444 1.00 0.00 H new ATOM 0 HD12 ILE A 32 0.515 6.942 7.072 1.00 0.00 H new ATOM 0 HD13 ILE A 32 1.753 6.705 5.816 1.00 0.00 H new ATOM 436 N ALA A 33 -1.462 2.489 4.340 1.00 0.00 N ATOM 437 CA ALA A 33 -1.668 1.530 3.280 1.00 0.00 C ATOM 438 C ALA A 33 -1.930 2.212 1.948 1.00 0.00 C ATOM 439 O ALA A 33 -2.301 3.387 1.894 1.00 0.00 O ATOM 440 CB ALA A 33 -2.832 0.625 3.634 1.00 0.00 C ATOM 0 H ALA A 33 -1.976 3.363 4.230 1.00 0.00 H new ATOM 0 HA ALA A 33 -0.757 0.940 3.176 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -2.987 -0.098 2.834 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -2.614 0.098 4.563 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -3.734 1.224 3.761 1.00 0.00 H new ATOM 446 N CYS A 34 -1.739 1.457 0.882 1.00 0.00 N ATOM 447 CA CYS A 34 -2.070 1.912 -0.452 1.00 0.00 C ATOM 448 C CYS A 34 -3.200 1.057 -1.005 1.00 0.00 C ATOM 449 O CYS A 34 -3.167 -0.173 -0.904 1.00 0.00 O ATOM 450 CB CYS A 34 -0.847 1.835 -1.368 1.00 0.00 C ATOM 451 SG CYS A 34 0.314 3.229 -1.178 1.00 0.00 S ATOM 0 H CYS A 34 -1.351 0.514 0.918 1.00 0.00 H new ATOM 0 HA CYS A 34 -2.390 2.953 -0.406 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -0.316 0.904 -1.170 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -1.184 1.795 -2.404 1.00 0.00 H new ATOM 456 N CYS A 35 -4.209 1.710 -1.552 1.00 0.00 N ATOM 457 CA CYS A 35 -5.368 1.023 -2.097 1.00 0.00 C ATOM 458 C CYS A 35 -5.552 1.381 -3.566 1.00 0.00 C ATOM 459 O CYS A 35 -4.964 2.347 -4.062 1.00 0.00 O ATOM 460 CB CYS A 35 -6.628 1.391 -1.305 1.00 0.00 C ATOM 461 SG CYS A 35 -6.343 1.632 0.480 1.00 0.00 S ATOM 0 H CYS A 35 -4.250 2.726 -1.631 1.00 0.00 H new ATOM 0 HA CYS A 35 -5.203 -0.051 -2.014 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -7.051 2.305 -1.721 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -7.371 0.605 -1.440 1.00 0.00 H new ATOM 466 N ASN A 36 -6.367 0.602 -4.257 1.00 0.00 N ATOM 467 CA ASN A 36 -6.622 0.830 -5.672 1.00 0.00 C ATOM 468 C ASN A 36 -8.045 0.423 -6.023 1.00 0.00 C ATOM 469 O ASN A 36 -8.683 -0.326 -5.278 1.00 0.00 O ATOM 470 CB ASN A 36 -5.622 0.043 -6.528 1.00 0.00 C ATOM 471 CG ASN A 36 -5.327 0.704 -7.861 1.00 0.00 C ATOM 472 OD1 ASN A 36 -4.302 1.364 -8.029 1.00 0.00 O ATOM 473 ND2 ASN A 36 -6.217 0.527 -8.822 1.00 0.00 N ATOM 0 H ASN A 36 -6.865 -0.196 -3.862 1.00 0.00 H new ATOM 0 HA ASN A 36 -6.499 1.893 -5.880 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -4.691 -0.073 -5.973 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -6.014 -0.958 -6.705 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -6.066 0.944 -9.740 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -7.055 -0.027 -8.645 1.00 0.00 H new ATOM 480 N SER A 37 -8.542 0.944 -7.138 1.00 0.00 N ATOM 481 CA SER A 37 -9.846 0.569 -7.658 1.00 0.00 C ATOM 482 C SER A 37 -9.958 -0.955 -7.800 1.00 0.00 C ATOM 483 O SER A 37 -8.990 -1.627 -8.170 1.00 0.00 O ATOM 484 CB SER A 37 -10.059 1.267 -9.002 1.00 0.00 C ATOM 485 OG SER A 37 -9.059 2.251 -9.218 1.00 0.00 O ATOM 0 H SER A 37 -8.052 1.637 -7.704 1.00 0.00 H new ATOM 0 HA SER A 37 -10.623 0.885 -6.962 1.00 0.00 H new ATOM 0 HB2 SER A 37 -10.034 0.533 -9.807 1.00 0.00 H new ATOM 0 HB3 SER A 37 -11.045 1.732 -9.024 1.00 0.00 H new ATOM 0 HG SER A 37 -8.264 1.830 -9.606 1.00 0.00 H new ATOM 491 N PRO A 38 -11.148 -1.506 -7.497 1.00 0.00 N ATOM 492 CA PRO A 38 -11.388 -2.956 -7.436 1.00 0.00 C ATOM 493 C PRO A 38 -10.851 -3.744 -8.631 1.00 0.00 C ATOM 494 O PRO A 38 -10.219 -4.775 -8.444 1.00 0.00 O ATOM 495 CB PRO A 38 -12.912 -3.058 -7.383 1.00 0.00 C ATOM 496 CG PRO A 38 -13.350 -1.795 -6.735 1.00 0.00 C ATOM 497 CD PRO A 38 -12.368 -0.742 -7.168 1.00 0.00 C ATOM 0 HA PRO A 38 -10.866 -3.392 -6.584 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -13.337 -3.160 -8.381 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -13.231 -3.929 -6.810 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -14.363 -1.532 -7.039 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -13.359 -1.897 -5.650 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -12.735 -0.185 -8.030 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -12.184 -0.018 -6.375 1.00 0.00 H new ATOM 505 N ALA A 39 -11.070 -3.256 -9.845 1.00 0.00 N ATOM 506 CA ALA A 39 -10.719 -4.019 -11.047 1.00 0.00 C ATOM 507 C ALA A 39 -9.208 -4.227 -11.185 1.00 0.00 C ATOM 508 O ALA A 39 -8.752 -5.074 -11.955 1.00 0.00 O ATOM 509 CB ALA A 39 -11.275 -3.333 -12.288 1.00 0.00 C ATOM 0 H ALA A 39 -11.486 -2.343 -10.028 1.00 0.00 H new ATOM 0 HA ALA A 39 -11.171 -5.006 -10.946 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -11.007 -3.910 -13.173 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -12.360 -3.268 -12.212 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -10.856 -2.330 -12.368 1.00 0.00 H new ATOM 515 N GLU A 40 -8.438 -3.460 -10.429 1.00 0.00 N ATOM 516 CA GLU A 40 -6.986 -3.577 -10.448 1.00 0.00 C ATOM 517 C GLU A 40 -6.526 -4.422 -9.270 1.00 0.00 C ATOM 518 O GLU A 40 -5.742 -5.358 -9.417 1.00 0.00 O ATOM 519 CB GLU A 40 -6.346 -2.193 -10.378 1.00 0.00 C ATOM 520 CG GLU A 40 -5.990 -1.603 -11.732 1.00 0.00 C ATOM 521 CD GLU A 40 -4.806 -0.662 -11.653 1.00 0.00 C ATOM 522 OE1 GLU A 40 -4.999 0.516 -11.281 1.00 0.00 O ATOM 523 OE2 GLU A 40 -3.670 -1.100 -11.926 1.00 0.00 O ATOM 0 H GLU A 40 -8.795 -2.747 -9.792 1.00 0.00 H new ATOM 0 HA GLU A 40 -6.680 -4.058 -11.377 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -7.029 -1.515 -9.867 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -5.442 -2.253 -9.771 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -5.765 -2.409 -12.430 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -6.852 -1.067 -12.131 1.00 0.00 H new ATOM 530 N THR A 41 -7.044 -4.084 -8.102 1.00 0.00 N ATOM 531 CA THR A 41 -6.764 -4.816 -6.880 1.00 0.00 C ATOM 532 C THR A 41 -7.233 -6.269 -6.988 1.00 0.00 C ATOM 533 O THR A 41 -6.615 -7.183 -6.450 1.00 0.00 O ATOM 534 CB THR A 41 -7.477 -4.133 -5.701 1.00 0.00 C ATOM 535 OG1 THR A 41 -7.356 -2.710 -5.829 1.00 0.00 O ATOM 536 CG2 THR A 41 -6.897 -4.578 -4.374 1.00 0.00 C ATOM 0 H THR A 41 -7.673 -3.291 -7.974 1.00 0.00 H new ATOM 0 HA THR A 41 -5.686 -4.815 -6.717 1.00 0.00 H new ATOM 0 HB THR A 41 -8.528 -4.420 -5.724 1.00 0.00 H new ATOM 0 HG1 THR A 41 -8.145 -2.278 -5.439 1.00 0.00 H new ATOM 0 HG21 THR A 41 -7.423 -4.077 -3.561 1.00 0.00 H new ATOM 0 HG22 THR A 41 -7.012 -5.657 -4.270 1.00 0.00 H new ATOM 0 HG23 THR A 41 -5.839 -4.320 -4.335 1.00 0.00 H new ATOM 544 N ASN A 42 -8.331 -6.459 -7.695 1.00 0.00 N ATOM 545 CA ASN A 42 -8.945 -7.768 -7.858 1.00 0.00 C ATOM 546 C ASN A 42 -8.675 -8.321 -9.248 1.00 0.00 C ATOM 547 O ASN A 42 -9.346 -9.250 -9.698 1.00 0.00 O ATOM 548 CB ASN A 42 -10.448 -7.666 -7.624 1.00 0.00 C ATOM 549 CG ASN A 42 -10.836 -8.045 -6.216 1.00 0.00 C ATOM 550 OD1 ASN A 42 -11.774 -8.809 -5.999 1.00 0.00 O ATOM 551 ND2 ASN A 42 -10.114 -7.503 -5.250 1.00 0.00 N ATOM 0 H ASN A 42 -8.826 -5.708 -8.176 1.00 0.00 H new ATOM 0 HA ASN A 42 -8.509 -8.448 -7.126 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -10.777 -6.647 -7.827 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -10.968 -8.315 -8.329 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -10.326 -7.714 -4.275 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -9.345 -6.874 -5.480 1.00 0.00 H new ATOM 558 N ASN A 43 -7.713 -7.715 -9.929 1.00 0.00 N ATOM 559 CA ASN A 43 -7.371 -8.082 -11.303 1.00 0.00 C ATOM 560 C ASN A 43 -7.078 -9.572 -11.426 1.00 0.00 C ATOM 561 O ASN A 43 -7.488 -10.220 -12.390 1.00 0.00 O ATOM 562 CB ASN A 43 -6.160 -7.281 -11.780 1.00 0.00 C ATOM 563 CG ASN A 43 -6.009 -7.325 -13.287 1.00 0.00 C ATOM 564 OD1 ASN A 43 -5.058 -7.907 -13.808 1.00 0.00 O ATOM 565 ND2 ASN A 43 -6.939 -6.700 -13.994 1.00 0.00 N ATOM 0 H ASN A 43 -7.147 -6.956 -9.549 1.00 0.00 H new ATOM 0 HA ASN A 43 -8.232 -7.849 -11.930 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -6.260 -6.245 -11.456 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -5.257 -7.676 -11.313 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -6.884 -6.689 -15.012 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -7.710 -6.230 -13.520 1.00 0.00 H new ATOM 572 N ASP A 44 -6.387 -10.115 -10.440 1.00 0.00 N ATOM 573 CA ASP A 44 -6.035 -11.527 -10.455 1.00 0.00 C ATOM 574 C ASP A 44 -6.945 -12.321 -9.521 1.00 0.00 C ATOM 575 O ASP A 44 -7.380 -11.811 -8.490 1.00 0.00 O ATOM 576 CB ASP A 44 -4.570 -11.721 -10.061 1.00 0.00 C ATOM 577 CG ASP A 44 -4.109 -13.148 -10.257 1.00 0.00 C ATOM 578 OD1 ASP A 44 -4.293 -13.965 -9.336 1.00 0.00 O ATOM 579 OD2 ASP A 44 -3.578 -13.457 -11.345 1.00 0.00 O ATOM 0 H ASP A 44 -6.059 -9.604 -9.621 1.00 0.00 H new ATOM 0 HA ASP A 44 -6.173 -11.900 -11.470 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -3.945 -11.054 -10.655 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -4.436 -11.438 -9.017 1.00 0.00 H new ATOM 584 N SER A 45 -7.227 -13.566 -9.896 1.00 0.00 N ATOM 585 CA SER A 45 -8.115 -14.436 -9.134 1.00 0.00 C ATOM 586 C SER A 45 -7.549 -14.755 -7.748 1.00 0.00 C ATOM 587 O SER A 45 -8.300 -14.911 -6.785 1.00 0.00 O ATOM 588 CB SER A 45 -8.342 -15.731 -9.913 1.00 0.00 C ATOM 589 OG SER A 45 -7.651 -15.698 -11.156 1.00 0.00 O ATOM 0 H SER A 45 -6.846 -13.999 -10.737 1.00 0.00 H new ATOM 0 HA SER A 45 -9.060 -13.913 -8.990 1.00 0.00 H new ATOM 0 HB2 SER A 45 -7.999 -16.581 -9.323 1.00 0.00 H new ATOM 0 HB3 SER A 45 -9.408 -15.874 -10.088 1.00 0.00 H new ATOM 0 HG SER A 45 -6.694 -15.846 -11.003 1.00 0.00 H new ATOM 595 N LEU A 46 -6.227 -14.865 -7.656 1.00 0.00 N ATOM 596 CA LEU A 46 -5.572 -15.172 -6.391 1.00 0.00 C ATOM 597 C LEU A 46 -5.183 -13.892 -5.660 1.00 0.00 C ATOM 598 O LEU A 46 -5.046 -13.875 -4.433 1.00 0.00 O ATOM 599 CB LEU A 46 -4.334 -16.040 -6.626 1.00 0.00 C ATOM 600 CG LEU A 46 -4.096 -17.134 -5.581 1.00 0.00 C ATOM 601 CD1 LEU A 46 -5.287 -18.081 -5.512 1.00 0.00 C ATOM 602 CD2 LEU A 46 -2.821 -17.900 -5.900 1.00 0.00 C ATOM 0 H LEU A 46 -5.589 -14.746 -8.443 1.00 0.00 H new ATOM 0 HA LEU A 46 -6.276 -15.725 -5.770 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -4.420 -16.509 -7.606 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -3.457 -15.393 -6.657 1.00 0.00 H new ATOM 0 HG LEU A 46 -3.982 -16.661 -4.606 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -5.097 -18.850 -4.764 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -6.181 -17.521 -5.238 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -5.436 -18.550 -6.485 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -2.664 -18.674 -5.149 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -2.910 -18.361 -6.884 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -1.974 -17.214 -5.896 1.00 0.00 H new ATOM 614 N LEU A 47 -5.018 -12.818 -6.426 1.00 0.00 N ATOM 615 CA LEU A 47 -4.596 -11.532 -5.880 1.00 0.00 C ATOM 616 C LEU A 47 -5.567 -11.029 -4.824 1.00 0.00 C ATOM 617 O LEU A 47 -5.157 -10.383 -3.870 1.00 0.00 O ATOM 618 CB LEU A 47 -4.466 -10.488 -6.994 1.00 0.00 C ATOM 619 CG LEU A 47 -3.191 -9.639 -6.961 1.00 0.00 C ATOM 620 CD1 LEU A 47 -3.344 -8.476 -5.990 1.00 0.00 C ATOM 621 CD2 LEU A 47 -1.989 -10.497 -6.594 1.00 0.00 C ATOM 0 H LEU A 47 -5.171 -12.813 -7.434 1.00 0.00 H new ATOM 0 HA LEU A 47 -3.624 -11.683 -5.411 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -4.515 -11.000 -7.955 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -5.327 -9.821 -6.944 1.00 0.00 H new ATOM 0 HG LEU A 47 -3.025 -9.228 -7.957 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -2.428 -7.886 -5.982 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -4.178 -7.847 -6.304 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -3.537 -8.861 -4.989 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -1.092 -9.878 -6.575 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -2.145 -10.940 -5.610 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -1.868 -11.289 -7.333 1.00 0.00 H new ATOM 633 N SER A 48 -6.843 -11.359 -4.979 1.00 0.00 N ATOM 634 CA SER A 48 -7.885 -10.878 -4.077 1.00 0.00 C ATOM 635 C SER A 48 -7.685 -11.377 -2.637 1.00 0.00 C ATOM 636 O SER A 48 -8.346 -10.902 -1.712 1.00 0.00 O ATOM 637 CB SER A 48 -9.247 -11.306 -4.617 1.00 0.00 C ATOM 638 OG SER A 48 -9.085 -12.110 -5.776 1.00 0.00 O ATOM 0 H SER A 48 -7.184 -11.963 -5.727 1.00 0.00 H new ATOM 0 HA SER A 48 -7.829 -9.790 -4.036 1.00 0.00 H new ATOM 0 HB2 SER A 48 -9.791 -11.862 -3.853 1.00 0.00 H new ATOM 0 HB3 SER A 48 -9.844 -10.426 -4.857 1.00 0.00 H new ATOM 0 HG SER A 48 -8.789 -13.007 -5.513 1.00 0.00 H new ATOM 644 N GLY A 49 -6.781 -12.337 -2.453 1.00 0.00 N ATOM 645 CA GLY A 49 -6.400 -12.760 -1.116 1.00 0.00 C ATOM 646 C GLY A 49 -4.935 -12.496 -0.846 1.00 0.00 C ATOM 647 O GLY A 49 -4.514 -12.385 0.303 1.00 0.00 O ATOM 0 H GLY A 49 -6.305 -12.830 -3.208 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -7.007 -12.233 -0.380 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -6.607 -13.824 -0.997 1.00 0.00 H new ATOM 651 N LEU A 50 -4.164 -12.368 -1.918 1.00 0.00 N ATOM 652 CA LEU A 50 -2.722 -12.182 -1.817 1.00 0.00 C ATOM 653 C LEU A 50 -2.356 -10.717 -1.602 1.00 0.00 C ATOM 654 O LEU A 50 -1.196 -10.398 -1.365 1.00 0.00 O ATOM 655 CB LEU A 50 -2.027 -12.715 -3.070 1.00 0.00 C ATOM 656 CG LEU A 50 -1.218 -13.999 -2.869 1.00 0.00 C ATOM 657 CD1 LEU A 50 -2.138 -15.175 -2.573 1.00 0.00 C ATOM 658 CD2 LEU A 50 -0.366 -14.289 -4.097 1.00 0.00 C ATOM 0 H LEU A 50 -4.517 -12.390 -2.875 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.380 -12.744 -0.948 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -2.781 -12.896 -3.836 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -1.362 -11.942 -3.454 1.00 0.00 H new ATOM 0 HG LEU A 50 -0.558 -13.856 -2.013 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -1.542 -16.077 -2.434 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -2.707 -14.972 -1.666 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -2.824 -15.319 -3.407 1.00 0.00 H new ATOM 0 HD21 LEU A 50 0.203 -15.205 -3.937 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.011 -14.409 -4.967 1.00 0.00 H new ATOM 0 HD23 LEU A 50 0.321 -13.460 -4.267 1.00 0.00 H new ATOM 670 N LEU A 51 -3.348 -9.832 -1.687 1.00 0.00 N ATOM 671 CA LEU A 51 -3.122 -8.402 -1.480 1.00 0.00 C ATOM 672 C LEU A 51 -2.827 -8.129 -0.010 1.00 0.00 C ATOM 673 O LEU A 51 -2.457 -7.018 0.373 1.00 0.00 O ATOM 674 CB LEU A 51 -4.342 -7.582 -1.932 1.00 0.00 C ATOM 675 CG LEU A 51 -5.673 -8.342 -1.960 1.00 0.00 C ATOM 676 CD1 LEU A 51 -6.305 -8.386 -0.582 1.00 0.00 C ATOM 677 CD2 LEU A 51 -6.628 -7.713 -2.959 1.00 0.00 C ATOM 0 H LEU A 51 -4.315 -10.079 -1.897 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.265 -8.100 -2.082 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -4.447 -6.724 -1.268 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -4.146 -7.191 -2.930 1.00 0.00 H new ATOM 0 HG LEU A 51 -5.467 -9.366 -2.272 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -7.248 -8.931 -0.631 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -5.631 -8.889 0.112 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -6.491 -7.370 -0.234 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -7.567 -8.267 -2.964 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -6.819 -6.678 -2.677 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -6.185 -7.742 -3.954 1.00 0.00 H new ATOM 689 N GLY A 52 -3.011 -9.155 0.806 1.00 0.00 N ATOM 690 CA GLY A 52 -2.693 -9.063 2.205 1.00 0.00 C ATOM 691 C GLY A 52 -1.809 -10.207 2.636 1.00 0.00 C ATOM 692 O GLY A 52 -0.767 -10.452 2.036 1.00 0.00 O ATOM 0 H GLY A 52 -3.380 -10.060 0.514 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -2.192 -8.116 2.406 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -3.612 -9.068 2.791 1.00 0.00 H new ATOM 696 N ALA A 53 -2.239 -10.916 3.662 1.00 0.00 N ATOM 697 CA ALA A 53 -1.508 -12.076 4.161 1.00 0.00 C ATOM 698 C ALA A 53 -2.374 -12.840 5.150 1.00 0.00 C ATOM 699 O ALA A 53 -2.186 -14.034 5.376 1.00 0.00 O ATOM 700 CB ALA A 53 -0.191 -11.656 4.812 1.00 0.00 C ATOM 0 H ALA A 53 -3.097 -10.710 4.173 1.00 0.00 H new ATOM 0 HA ALA A 53 -1.269 -12.726 3.319 1.00 0.00 H new ATOM 0 HB1 ALA A 53 0.333 -12.540 5.175 1.00 0.00 H new ATOM 0 HB2 ALA A 53 0.430 -11.142 4.078 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -0.395 -10.987 5.648 1.00 0.00 H new ATOM 706 N GLY A 54 -3.313 -12.123 5.747 1.00 0.00 N ATOM 707 CA GLY A 54 -4.304 -12.744 6.592 1.00 0.00 C ATOM 708 C GLY A 54 -5.697 -12.369 6.142 1.00 0.00 C ATOM 709 O GLY A 54 -5.884 -11.963 4.995 1.00 0.00 O ATOM 0 H GLY A 54 -3.404 -11.111 5.658 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -4.186 -13.827 6.564 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -4.154 -12.434 7.626 1.00 0.00 H new ATOM 713 N LEU A 55 -6.664 -12.474 7.040 1.00 0.00 N ATOM 714 CA LEU A 55 -8.050 -12.137 6.730 1.00 0.00 C ATOM 715 C LEU A 55 -8.245 -10.623 6.679 1.00 0.00 C ATOM 716 O LEU A 55 -8.954 -10.043 7.503 1.00 0.00 O ATOM 717 CB LEU A 55 -8.983 -12.754 7.778 1.00 0.00 C ATOM 718 CG LEU A 55 -10.035 -13.730 7.238 1.00 0.00 C ATOM 719 CD1 LEU A 55 -11.276 -12.979 6.785 1.00 0.00 C ATOM 720 CD2 LEU A 55 -9.469 -14.563 6.095 1.00 0.00 C ATOM 0 H LEU A 55 -6.515 -12.792 7.998 1.00 0.00 H new ATOM 0 HA LEU A 55 -8.293 -12.544 5.748 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -8.375 -13.276 8.517 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -9.497 -11.947 8.301 1.00 0.00 H new ATOM 0 HG LEU A 55 -10.314 -14.407 8.045 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -12.012 -13.688 6.405 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -11.700 -12.434 7.629 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -11.008 -12.276 5.996 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -10.235 -15.247 5.730 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -9.155 -13.904 5.285 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -8.612 -15.134 6.451 1.00 0.00 H new ATOM 732 N LEU A 56 -7.593 -9.991 5.716 1.00 0.00 N ATOM 733 CA LEU A 56 -7.709 -8.551 5.518 1.00 0.00 C ATOM 734 C LEU A 56 -9.117 -8.150 5.097 1.00 0.00 C ATOM 735 O LEU A 56 -9.840 -8.919 4.459 1.00 0.00 O ATOM 736 CB LEU A 56 -6.664 -8.020 4.498 1.00 0.00 C ATOM 737 CG LEU A 56 -6.832 -8.389 3.002 1.00 0.00 C ATOM 738 CD1 LEU A 56 -7.241 -9.843 2.798 1.00 0.00 C ATOM 739 CD2 LEU A 56 -7.816 -7.453 2.314 1.00 0.00 C ATOM 0 H LEU A 56 -6.972 -10.456 5.053 1.00 0.00 H new ATOM 0 HA LEU A 56 -7.501 -8.088 6.483 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -6.653 -6.933 4.571 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -5.683 -8.371 4.817 1.00 0.00 H new ATOM 0 HG LEU A 56 -5.852 -8.266 2.541 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -7.344 -10.046 1.732 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -6.479 -10.498 3.220 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -8.193 -10.026 3.296 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -7.914 -7.735 1.266 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -8.788 -7.525 2.802 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -7.451 -6.428 2.381 1.00 0.00 H new ATOM 751 N ASN A 57 -9.499 -6.941 5.463 1.00 0.00 N ATOM 752 CA ASN A 57 -10.728 -6.356 4.973 1.00 0.00 C ATOM 753 C ASN A 57 -10.377 -5.234 4.005 1.00 0.00 C ATOM 754 O ASN A 57 -9.198 -4.932 3.808 1.00 0.00 O ATOM 755 CB ASN A 57 -11.588 -5.839 6.130 1.00 0.00 C ATOM 756 CG ASN A 57 -13.041 -5.644 5.738 1.00 0.00 C ATOM 757 OD1 ASN A 57 -13.482 -6.108 4.688 1.00 0.00 O ATOM 758 ND2 ASN A 57 -13.793 -4.957 6.578 1.00 0.00 N ATOM 0 H ASN A 57 -8.972 -6.345 6.101 1.00 0.00 H new ATOM 0 HA ASN A 57 -11.315 -7.114 4.454 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -11.531 -6.542 6.961 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -11.181 -4.892 6.485 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -14.777 -4.795 6.366 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -13.390 -4.588 7.439 1.00 0.00 H new ATOM 765 N GLY A 58 -11.380 -4.611 3.423 1.00 0.00 N ATOM 766 CA GLY A 58 -11.130 -3.627 2.388 1.00 0.00 C ATOM 767 C GLY A 58 -11.449 -2.231 2.849 1.00 0.00 C ATOM 768 O GLY A 58 -11.413 -1.950 4.044 1.00 0.00 O ATOM 0 H GLY A 58 -12.364 -4.764 3.644 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -10.085 -3.678 2.084 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -11.730 -3.865 1.509 1.00 0.00 H new ATOM 772 N LEU A 59 -11.768 -1.360 1.910 1.00 0.00 N ATOM 773 CA LEU A 59 -12.129 0.005 2.231 1.00 0.00 C ATOM 774 C LEU A 59 -13.432 0.028 3.022 1.00 0.00 C ATOM 775 O LEU A 59 -14.354 -0.740 2.741 1.00 0.00 O ATOM 776 CB LEU A 59 -12.273 0.822 0.948 1.00 0.00 C ATOM 777 CG LEU A 59 -11.643 2.214 0.985 1.00 0.00 C ATOM 778 CD1 LEU A 59 -10.616 2.368 -0.129 1.00 0.00 C ATOM 779 CD2 LEU A 59 -12.718 3.287 0.884 1.00 0.00 C ATOM 0 H LEU A 59 -11.784 -1.577 0.913 1.00 0.00 H new ATOM 0 HA LEU A 59 -11.342 0.447 2.842 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -11.826 0.261 0.127 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -13.334 0.927 0.721 1.00 0.00 H new ATOM 0 HG LEU A 59 -11.128 2.335 1.938 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -10.179 3.366 -0.086 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -9.831 1.622 -0.006 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -11.102 2.227 -1.094 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -12.252 4.272 0.912 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -13.263 3.169 -0.053 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -13.410 3.189 1.721 1.00 0.00 H new ATOM 791 N SER A 60 -13.480 0.894 4.024 1.00 0.00 N ATOM 792 CA SER A 60 -14.646 1.045 4.883 1.00 0.00 C ATOM 793 C SER A 60 -15.898 1.376 4.074 1.00 0.00 C ATOM 794 O SER A 60 -16.146 2.532 3.730 1.00 0.00 O ATOM 795 CB SER A 60 -14.367 2.133 5.923 1.00 0.00 C ATOM 796 OG SER A 60 -13.094 1.940 6.523 1.00 0.00 O ATOM 0 H SER A 60 -12.707 1.515 4.265 1.00 0.00 H new ATOM 0 HA SER A 60 -14.833 0.098 5.389 1.00 0.00 H new ATOM 0 HB2 SER A 60 -14.406 3.114 5.450 1.00 0.00 H new ATOM 0 HB3 SER A 60 -15.142 2.118 6.689 1.00 0.00 H new ATOM 0 HG SER A 60 -12.461 2.596 6.164 1.00 0.00 H new ATOM 802 N GLY A 61 -16.676 0.349 3.769 1.00 0.00 N ATOM 803 CA GLY A 61 -17.904 0.541 3.023 1.00 0.00 C ATOM 804 C GLY A 61 -17.692 0.514 1.520 1.00 0.00 C ATOM 805 O GLY A 61 -18.529 0.996 0.760 1.00 0.00 O ATOM 0 H GLY A 61 -16.479 -0.618 4.026 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -18.616 -0.237 3.299 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -18.349 1.495 3.305 1.00 0.00 H new ATOM 809 N ASN A 62 -16.572 -0.050 1.091 1.00 0.00 N ATOM 810 CA ASN A 62 -16.263 -0.159 -0.328 1.00 0.00 C ATOM 811 C ASN A 62 -15.914 -1.594 -0.672 1.00 0.00 C ATOM 812 O ASN A 62 -14.771 -2.030 -0.510 1.00 0.00 O ATOM 813 CB ASN A 62 -15.104 0.758 -0.697 1.00 0.00 C ATOM 814 CG ASN A 62 -15.436 1.691 -1.840 1.00 0.00 C ATOM 815 OD1 ASN A 62 -16.533 1.654 -2.397 1.00 0.00 O ATOM 816 ND2 ASN A 62 -14.482 2.529 -2.196 1.00 0.00 N ATOM 0 H ASN A 62 -15.860 -0.441 1.708 1.00 0.00 H new ATOM 0 HA ASN A 62 -17.141 0.145 -0.898 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -14.820 1.346 0.176 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -14.239 0.152 -0.968 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -14.638 3.183 -2.963 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -13.588 2.523 -1.704 1.00 0.00 H new ATOM 823 N THR A 63 -16.909 -2.327 -1.132 1.00 0.00 N ATOM 824 CA THR A 63 -16.747 -3.735 -1.444 1.00 0.00 C ATOM 825 C THR A 63 -16.006 -3.937 -2.764 1.00 0.00 C ATOM 826 O THR A 63 -16.621 -4.026 -3.829 1.00 0.00 O ATOM 827 CB THR A 63 -18.113 -4.439 -1.513 1.00 0.00 C ATOM 828 OG1 THR A 63 -19.155 -3.513 -1.172 1.00 0.00 O ATOM 829 CG2 THR A 63 -18.160 -5.633 -0.572 1.00 0.00 C ATOM 0 H THR A 63 -17.848 -1.966 -1.300 1.00 0.00 H new ATOM 0 HA THR A 63 -16.153 -4.174 -0.642 1.00 0.00 H new ATOM 0 HB THR A 63 -18.261 -4.798 -2.531 1.00 0.00 H new ATOM 0 HG1 THR A 63 -20.023 -3.965 -1.219 1.00 0.00 H new ATOM 0 HG21 THR A 63 -19.137 -6.112 -0.641 1.00 0.00 H new ATOM 0 HG22 THR A 63 -17.385 -6.347 -0.851 1.00 0.00 H new ATOM 0 HG23 THR A 63 -17.992 -5.297 0.451 1.00 0.00 H new ATOM 837 N GLY A 64 -14.682 -3.992 -2.693 1.00 0.00 N ATOM 838 CA GLY A 64 -13.883 -4.259 -3.871 1.00 0.00 C ATOM 839 C GLY A 64 -12.491 -3.679 -3.749 1.00 0.00 C ATOM 840 O GLY A 64 -11.500 -4.331 -4.083 1.00 0.00 O ATOM 0 H GLY A 64 -14.146 -3.856 -1.836 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -13.816 -5.336 -4.028 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -14.376 -3.839 -4.748 1.00 0.00 H new ATOM 844 N SER A 65 -12.418 -2.452 -3.259 1.00 0.00 N ATOM 845 CA SER A 65 -11.146 -1.780 -3.067 1.00 0.00 C ATOM 846 C SER A 65 -10.481 -2.244 -1.773 1.00 0.00 C ATOM 847 O SER A 65 -10.841 -1.802 -0.683 1.00 0.00 O ATOM 848 CB SER A 65 -11.363 -0.265 -3.044 1.00 0.00 C ATOM 849 OG SER A 65 -12.653 0.065 -3.536 1.00 0.00 O ATOM 0 H SER A 65 -13.231 -1.900 -2.986 1.00 0.00 H new ATOM 0 HA SER A 65 -10.485 -2.033 -3.896 1.00 0.00 H new ATOM 0 HB2 SER A 65 -11.250 0.108 -2.026 1.00 0.00 H new ATOM 0 HB3 SER A 65 -10.601 0.226 -3.650 1.00 0.00 H new ATOM 0 HG SER A 65 -12.773 1.037 -3.512 1.00 0.00 H new ATOM 855 N ALA A 66 -9.540 -3.170 -1.901 1.00 0.00 N ATOM 856 CA ALA A 66 -8.753 -3.623 -0.762 1.00 0.00 C ATOM 857 C ALA A 66 -7.498 -2.773 -0.626 1.00 0.00 C ATOM 858 O ALA A 66 -7.191 -1.969 -1.511 1.00 0.00 O ATOM 859 CB ALA A 66 -8.397 -5.095 -0.907 1.00 0.00 C ATOM 0 H ALA A 66 -9.303 -3.623 -2.784 1.00 0.00 H new ATOM 0 HA ALA A 66 -9.349 -3.510 0.144 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -7.809 -5.414 -0.046 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -9.311 -5.687 -0.962 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -7.816 -5.241 -1.817 1.00 0.00 H new ATOM 865 N CYS A 67 -6.766 -2.950 0.463 1.00 0.00 N ATOM 866 CA CYS A 67 -5.609 -2.112 0.720 1.00 0.00 C ATOM 867 C CYS A 67 -4.416 -2.941 1.167 1.00 0.00 C ATOM 868 O CYS A 67 -4.560 -3.888 1.947 1.00 0.00 O ATOM 869 CB CYS A 67 -5.940 -1.070 1.788 1.00 0.00 C ATOM 870 SG CYS A 67 -7.297 0.062 1.340 1.00 0.00 S ATOM 0 H CYS A 67 -6.950 -3.658 1.174 1.00 0.00 H new ATOM 0 HA CYS A 67 -5.348 -1.609 -0.211 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -6.203 -1.585 2.712 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -5.046 -0.482 1.994 1.00 0.00 H new ATOM 875 N ALA A 68 -3.239 -2.578 0.680 1.00 0.00 N ATOM 876 CA ALA A 68 -2.013 -3.238 1.088 1.00 0.00 C ATOM 877 C ALA A 68 -1.250 -2.338 2.040 1.00 0.00 C ATOM 878 O ALA A 68 -0.953 -1.190 1.715 1.00 0.00 O ATOM 879 CB ALA A 68 -1.154 -3.589 -0.118 1.00 0.00 C ATOM 0 H ALA A 68 -3.109 -1.828 0.001 1.00 0.00 H new ATOM 0 HA ALA A 68 -2.267 -4.169 1.595 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -0.241 -4.083 0.216 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -1.708 -4.258 -0.777 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -0.897 -2.678 -0.659 1.00 0.00 H new ATOM 885 N LYS A 69 -0.938 -2.859 3.213 1.00 0.00 N ATOM 886 CA LYS A 69 -0.293 -2.071 4.253 1.00 0.00 C ATOM 887 C LYS A 69 1.217 -2.066 4.051 1.00 0.00 C ATOM 888 O LYS A 69 1.757 -2.967 3.416 1.00 0.00 O ATOM 889 CB LYS A 69 -0.655 -2.620 5.641 1.00 0.00 C ATOM 890 CG LYS A 69 -1.573 -3.843 5.611 1.00 0.00 C ATOM 891 CD LYS A 69 -3.049 -3.459 5.640 1.00 0.00 C ATOM 892 CE LYS A 69 -3.948 -4.634 5.258 1.00 0.00 C ATOM 893 NZ LYS A 69 -5.291 -4.555 5.904 1.00 0.00 N ATOM 0 H LYS A 69 -1.121 -3.828 3.472 1.00 0.00 H new ATOM 0 HA LYS A 69 -0.651 -1.044 4.188 1.00 0.00 H new ATOM 0 HB2 LYS A 69 0.263 -2.882 6.167 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -1.138 -1.831 6.217 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -1.369 -4.426 4.713 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -1.350 -4.483 6.464 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -3.314 -3.108 6.637 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -3.223 -2.630 4.954 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -4.069 -4.658 4.175 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -3.464 -5.567 5.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -5.814 -5.436 5.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -5.176 -4.422 6.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -5.820 -3.752 5.508 1.00 0.00 H new ATOM 907 N ALA A 70 1.890 -1.057 4.596 1.00 0.00 N ATOM 908 CA ALA A 70 3.333 -0.903 4.414 1.00 0.00 C ATOM 909 C ALA A 70 4.101 -2.130 4.904 1.00 0.00 C ATOM 910 O ALA A 70 5.105 -2.522 4.306 1.00 0.00 O ATOM 911 CB ALA A 70 3.828 0.348 5.120 1.00 0.00 C ATOM 0 H ALA A 70 1.460 -0.331 5.169 1.00 0.00 H new ATOM 0 HA ALA A 70 3.519 -0.803 3.345 1.00 0.00 H new ATOM 0 HB1 ALA A 70 4.904 0.447 4.974 1.00 0.00 H new ATOM 0 HB2 ALA A 70 3.324 1.222 4.707 1.00 0.00 H new ATOM 0 HB3 ALA A 70 3.612 0.274 6.186 1.00 0.00 H new ATOM 917 N SER A 71 3.627 -2.740 5.988 1.00 0.00 N ATOM 918 CA SER A 71 4.229 -3.967 6.500 1.00 0.00 C ATOM 919 C SER A 71 4.089 -5.096 5.480 1.00 0.00 C ATOM 920 O SER A 71 4.952 -5.966 5.370 1.00 0.00 O ATOM 921 CB SER A 71 3.560 -4.373 7.813 1.00 0.00 C ATOM 922 OG SER A 71 4.220 -3.800 8.926 1.00 0.00 O ATOM 0 H SER A 71 2.829 -2.405 6.528 1.00 0.00 H new ATOM 0 HA SER A 71 5.288 -3.783 6.679 1.00 0.00 H new ATOM 0 HB2 SER A 71 2.517 -4.058 7.805 1.00 0.00 H new ATOM 0 HB3 SER A 71 3.564 -5.459 7.905 1.00 0.00 H new ATOM 0 HG SER A 71 3.769 -4.076 9.751 1.00 0.00 H new ATOM 928 N LEU A 72 3.003 -5.059 4.718 1.00 0.00 N ATOM 929 CA LEU A 72 2.719 -6.099 3.743 1.00 0.00 C ATOM 930 C LEU A 72 3.415 -5.808 2.420 1.00 0.00 C ATOM 931 O LEU A 72 3.590 -6.699 1.590 1.00 0.00 O ATOM 932 CB LEU A 72 1.216 -6.234 3.531 1.00 0.00 C ATOM 933 CG LEU A 72 0.583 -7.460 4.189 1.00 0.00 C ATOM 934 CD1 LEU A 72 1.269 -7.780 5.509 1.00 0.00 C ATOM 935 CD2 LEU A 72 -0.903 -7.235 4.411 1.00 0.00 C ATOM 0 H LEU A 72 2.304 -4.317 4.758 1.00 0.00 H new ATOM 0 HA LEU A 72 3.104 -7.042 4.132 1.00 0.00 H new ATOM 0 HB2 LEU A 72 0.727 -5.339 3.916 1.00 0.00 H new ATOM 0 HB3 LEU A 72 1.016 -6.270 2.460 1.00 0.00 H new ATOM 0 HG LEU A 72 0.713 -8.310 3.519 1.00 0.00 H new ATOM 0 HD11 LEU A 72 0.802 -8.656 5.959 1.00 0.00 H new ATOM 0 HD12 LEU A 72 2.325 -7.983 5.330 1.00 0.00 H new ATOM 0 HD13 LEU A 72 1.173 -6.930 6.185 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -1.338 -8.117 4.880 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -1.047 -6.371 5.059 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -1.391 -7.055 3.453 1.00 0.00 H new ATOM 947 N ILE A 73 3.807 -4.559 2.225 1.00 0.00 N ATOM 948 CA ILE A 73 4.627 -4.204 1.081 1.00 0.00 C ATOM 949 C ILE A 73 5.988 -4.882 1.226 1.00 0.00 C ATOM 950 O ILE A 73 6.557 -5.389 0.263 1.00 0.00 O ATOM 951 CB ILE A 73 4.779 -2.666 0.943 1.00 0.00 C ATOM 952 CG1 ILE A 73 3.718 -2.126 -0.015 1.00 0.00 C ATOM 953 CG2 ILE A 73 6.173 -2.282 0.460 1.00 0.00 C ATOM 954 CD1 ILE A 73 2.845 -1.050 0.591 1.00 0.00 C ATOM 0 H ILE A 73 3.572 -3.780 2.840 1.00 0.00 H new ATOM 0 HA ILE A 73 4.140 -4.551 0.170 1.00 0.00 H new ATOM 0 HB ILE A 73 4.638 -2.221 1.928 1.00 0.00 H new ATOM 0 HG12 ILE A 73 4.211 -1.726 -0.901 1.00 0.00 H new ATOM 0 HG13 ILE A 73 3.087 -2.950 -0.346 1.00 0.00 H new ATOM 0 HG21 ILE A 73 6.243 -1.198 0.375 1.00 0.00 H new ATOM 0 HG22 ILE A 73 6.916 -2.639 1.173 1.00 0.00 H new ATOM 0 HG23 ILE A 73 6.358 -2.735 -0.514 1.00 0.00 H new ATOM 0 HD11 ILE A 73 2.116 -0.715 -0.147 1.00 0.00 H new ATOM 0 HD12 ILE A 73 2.324 -1.451 1.460 1.00 0.00 H new ATOM 0 HD13 ILE A 73 3.465 -0.208 0.897 1.00 0.00 H new ATOM 966 N ASP A 74 6.461 -4.926 2.466 1.00 0.00 N ATOM 967 CA ASP A 74 7.714 -5.592 2.804 1.00 0.00 C ATOM 968 C ASP A 74 7.510 -7.105 2.910 1.00 0.00 C ATOM 969 O ASP A 74 8.463 -7.869 3.065 1.00 0.00 O ATOM 970 CB ASP A 74 8.238 -5.035 4.130 1.00 0.00 C ATOM 971 CG ASP A 74 9.705 -5.334 4.372 1.00 0.00 C ATOM 972 OD1 ASP A 74 10.563 -4.694 3.727 1.00 0.00 O ATOM 973 OD2 ASP A 74 10.006 -6.202 5.218 1.00 0.00 O ATOM 0 H ASP A 74 5.988 -4.502 3.264 1.00 0.00 H new ATOM 0 HA ASP A 74 8.442 -5.404 2.015 1.00 0.00 H new ATOM 0 HB2 ASP A 74 8.087 -3.956 4.147 1.00 0.00 H new ATOM 0 HB3 ASP A 74 7.650 -5.452 4.948 1.00 0.00 H new ATOM 978 N GLN A 75 6.254 -7.530 2.826 1.00 0.00 N ATOM 979 CA GLN A 75 5.898 -8.936 2.949 1.00 0.00 C ATOM 980 C GLN A 75 5.795 -9.577 1.569 1.00 0.00 C ATOM 981 O GLN A 75 6.261 -10.696 1.352 1.00 0.00 O ATOM 982 CB GLN A 75 4.564 -9.073 3.694 1.00 0.00 C ATOM 983 CG GLN A 75 4.555 -10.148 4.771 1.00 0.00 C ATOM 984 CD GLN A 75 5.471 -9.831 5.941 1.00 0.00 C ATOM 985 OE1 GLN A 75 5.915 -10.726 6.659 1.00 0.00 O ATOM 986 NE2 GLN A 75 5.746 -8.553 6.152 1.00 0.00 N ATOM 0 H GLN A 75 5.458 -6.911 2.671 1.00 0.00 H new ATOM 0 HA GLN A 75 6.676 -9.449 3.515 1.00 0.00 H new ATOM 0 HB2 GLN A 75 4.317 -8.115 4.151 1.00 0.00 H new ATOM 0 HB3 GLN A 75 3.779 -9.293 2.971 1.00 0.00 H new ATOM 0 HG2 GLN A 75 3.537 -10.276 5.139 1.00 0.00 H new ATOM 0 HG3 GLN A 75 4.856 -11.098 4.329 1.00 0.00 H new ATOM 0 HE21 GLN A 75 5.359 -7.839 5.535 1.00 0.00 H new ATOM 0 HE22 GLN A 75 6.345 -8.282 6.932 1.00 0.00 H new ATOM 995 N LEU A 76 5.185 -8.853 0.639 1.00 0.00 N ATOM 996 CA LEU A 76 4.967 -9.362 -0.707 1.00 0.00 C ATOM 997 C LEU A 76 5.328 -8.309 -1.748 1.00 0.00 C ATOM 998 O LEU A 76 6.276 -8.481 -2.511 1.00 0.00 O ATOM 999 CB LEU A 76 3.506 -9.783 -0.886 1.00 0.00 C ATOM 1000 CG LEU A 76 3.049 -10.950 -0.012 1.00 0.00 C ATOM 1001 CD1 LEU A 76 2.298 -10.437 1.205 1.00 0.00 C ATOM 1002 CD2 LEU A 76 2.178 -11.894 -0.818 1.00 0.00 C ATOM 0 H LEU A 76 4.832 -7.909 0.794 1.00 0.00 H new ATOM 0 HA LEU A 76 5.611 -10.230 -0.849 1.00 0.00 H new ATOM 0 HB2 LEU A 76 2.869 -8.923 -0.677 1.00 0.00 H new ATOM 0 HB3 LEU A 76 3.348 -10.050 -1.931 1.00 0.00 H new ATOM 0 HG LEU A 76 3.927 -11.496 0.333 1.00 0.00 H new ATOM 0 HD11 LEU A 76 1.979 -11.280 1.818 1.00 0.00 H new ATOM 0 HD12 LEU A 76 2.952 -9.790 1.790 1.00 0.00 H new ATOM 0 HD13 LEU A 76 1.424 -9.872 0.882 1.00 0.00 H new ATOM 0 HD21 LEU A 76 1.858 -12.722 -0.186 1.00 0.00 H new ATOM 0 HD22 LEU A 76 1.303 -11.358 -1.185 1.00 0.00 H new ATOM 0 HD23 LEU A 76 2.747 -12.282 -1.663 1.00 0.00 H new ATOM 1014 N GLY A 77 4.572 -7.217 -1.764 1.00 0.00 N ATOM 1015 CA GLY A 77 4.794 -6.182 -2.758 1.00 0.00 C ATOM 1016 C GLY A 77 3.865 -6.318 -3.950 1.00 0.00 C ATOM 1017 O GLY A 77 4.312 -6.315 -5.094 1.00 0.00 O ATOM 0 H GLY A 77 3.812 -7.030 -1.110 1.00 0.00 H new ATOM 0 HA2 GLY A 77 4.651 -5.204 -2.299 1.00 0.00 H new ATOM 0 HA3 GLY A 77 5.828 -6.226 -3.100 1.00 0.00 H new ATOM 1021 N LEU A 78 2.567 -6.452 -3.676 1.00 0.00 N ATOM 1022 CA LEU A 78 1.553 -6.624 -4.720 1.00 0.00 C ATOM 1023 C LEU A 78 1.552 -5.435 -5.675 1.00 0.00 C ATOM 1024 O LEU A 78 1.057 -4.360 -5.336 1.00 0.00 O ATOM 1025 CB LEU A 78 0.158 -6.783 -4.100 1.00 0.00 C ATOM 1026 CG LEU A 78 -0.029 -8.007 -3.199 1.00 0.00 C ATOM 1027 CD1 LEU A 78 0.709 -9.217 -3.757 1.00 0.00 C ATOM 1028 CD2 LEU A 78 0.430 -7.697 -1.780 1.00 0.00 C ATOM 0 H LEU A 78 2.189 -6.445 -2.729 1.00 0.00 H new ATOM 0 HA LEU A 78 1.801 -7.527 -5.278 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -0.066 -5.889 -3.519 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -0.575 -6.831 -4.905 1.00 0.00 H new ATOM 0 HG LEU A 78 -1.091 -8.251 -3.172 1.00 0.00 H new ATOM 0 HD11 LEU A 78 0.559 -10.071 -3.097 1.00 0.00 H new ATOM 0 HD12 LEU A 78 0.324 -9.453 -4.749 1.00 0.00 H new ATOM 0 HD13 LEU A 78 1.774 -8.994 -3.825 1.00 0.00 H new ATOM 0 HD21 LEU A 78 0.291 -8.577 -1.152 1.00 0.00 H new ATOM 0 HD22 LEU A 78 1.485 -7.422 -1.791 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -0.156 -6.870 -1.380 1.00 0.00 H new ATOM 1040 N LEU A 79 2.062 -5.658 -6.884 1.00 0.00 N ATOM 1041 CA LEU A 79 2.292 -4.582 -7.855 1.00 0.00 C ATOM 1042 C LEU A 79 0.993 -4.067 -8.473 1.00 0.00 C ATOM 1043 O LEU A 79 1.011 -3.415 -9.516 1.00 0.00 O ATOM 1044 CB LEU A 79 3.237 -5.062 -8.966 1.00 0.00 C ATOM 1045 CG LEU A 79 3.819 -6.460 -8.770 1.00 0.00 C ATOM 1046 CD1 LEU A 79 3.109 -7.460 -9.667 1.00 0.00 C ATOM 1047 CD2 LEU A 79 5.312 -6.459 -9.050 1.00 0.00 C ATOM 0 H LEU A 79 2.328 -6.584 -7.221 1.00 0.00 H new ATOM 0 HA LEU A 79 2.749 -3.755 -7.311 1.00 0.00 H new ATOM 0 HB2 LEU A 79 2.698 -5.041 -9.913 1.00 0.00 H new ATOM 0 HB3 LEU A 79 4.060 -4.353 -9.052 1.00 0.00 H new ATOM 0 HG LEU A 79 3.665 -6.756 -7.733 1.00 0.00 H new ATOM 0 HD11 LEU A 79 3.535 -8.452 -9.515 1.00 0.00 H new ATOM 0 HD12 LEU A 79 2.047 -7.480 -9.421 1.00 0.00 H new ATOM 0 HD13 LEU A 79 3.234 -7.167 -10.709 1.00 0.00 H new ATOM 0 HD21 LEU A 79 5.710 -7.463 -8.905 1.00 0.00 H new ATOM 0 HD22 LEU A 79 5.489 -6.143 -10.078 1.00 0.00 H new ATOM 0 HD23 LEU A 79 5.810 -5.770 -8.368 1.00 0.00 H new ATOM 1059 N ALA A 80 -0.130 -4.367 -7.844 1.00 0.00 N ATOM 1060 CA ALA A 80 -1.408 -3.816 -8.265 1.00 0.00 C ATOM 1061 C ALA A 80 -1.701 -2.547 -7.481 1.00 0.00 C ATOM 1062 O ALA A 80 -2.348 -1.623 -7.979 1.00 0.00 O ATOM 1063 CB ALA A 80 -2.521 -4.836 -8.064 1.00 0.00 C ATOM 0 H ALA A 80 -0.184 -4.990 -7.038 1.00 0.00 H new ATOM 0 HA ALA A 80 -1.358 -3.574 -9.327 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -3.470 -4.407 -8.384 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -2.308 -5.727 -8.654 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -2.582 -5.105 -7.009 1.00 0.00 H new ATOM 1069 N LEU A 81 -1.179 -2.496 -6.263 1.00 0.00 N ATOM 1070 CA LEU A 81 -1.496 -1.415 -5.340 1.00 0.00 C ATOM 1071 C LEU A 81 -0.341 -0.427 -5.212 1.00 0.00 C ATOM 1072 O LEU A 81 -0.456 0.579 -4.511 1.00 0.00 O ATOM 1073 CB LEU A 81 -1.840 -1.991 -3.962 1.00 0.00 C ATOM 1074 CG LEU A 81 -3.337 -2.127 -3.661 1.00 0.00 C ATOM 1075 CD1 LEU A 81 -4.118 -2.454 -4.920 1.00 0.00 C ATOM 1076 CD2 LEU A 81 -3.579 -3.195 -2.609 1.00 0.00 C ATOM 0 H LEU A 81 -0.533 -3.192 -5.891 1.00 0.00 H new ATOM 0 HA LEU A 81 -2.355 -0.876 -5.740 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -1.378 -2.974 -3.872 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -1.389 -1.356 -3.199 1.00 0.00 H new ATOM 0 HG LEU A 81 -3.686 -1.169 -3.276 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -5.177 -2.545 -4.678 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -3.980 -1.657 -5.651 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -3.759 -3.395 -5.337 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -4.648 -3.275 -2.411 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -3.204 -4.153 -2.970 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -3.059 -2.925 -1.690 1.00 0.00 H new ATOM 1088 N VAL A 82 0.760 -0.698 -5.903 1.00 0.00 N ATOM 1089 CA VAL A 82 1.925 0.174 -5.828 1.00 0.00 C ATOM 1090 C VAL A 82 2.334 0.667 -7.204 1.00 0.00 C ATOM 1091 O VAL A 82 2.336 -0.086 -8.179 1.00 0.00 O ATOM 1092 CB VAL A 82 3.150 -0.506 -5.167 1.00 0.00 C ATOM 1093 CG1 VAL A 82 3.480 0.155 -3.840 1.00 0.00 C ATOM 1094 CG2 VAL A 82 2.924 -1.997 -4.980 1.00 0.00 C ATOM 0 H VAL A 82 0.870 -1.506 -6.516 1.00 0.00 H new ATOM 0 HA VAL A 82 1.618 1.012 -5.203 1.00 0.00 H new ATOM 0 HB VAL A 82 4.000 -0.380 -5.838 1.00 0.00 H new ATOM 0 HG11 VAL A 82 4.343 -0.338 -3.393 1.00 0.00 H new ATOM 0 HG12 VAL A 82 3.708 1.208 -4.005 1.00 0.00 H new ATOM 0 HG13 VAL A 82 2.625 0.070 -3.169 1.00 0.00 H new ATOM 0 HG21 VAL A 82 3.803 -2.443 -4.514 1.00 0.00 H new ATOM 0 HG22 VAL A 82 2.055 -2.156 -4.342 1.00 0.00 H new ATOM 0 HG23 VAL A 82 2.752 -2.463 -5.950 1.00 0.00 H new ATOM 1104 N ASP A 83 2.665 1.944 -7.260 1.00 0.00 N ATOM 1105 CA ASP A 83 3.206 2.567 -8.456 1.00 0.00 C ATOM 1106 C ASP A 83 4.727 2.445 -8.407 1.00 0.00 C ATOM 1107 O ASP A 83 5.278 1.995 -7.394 1.00 0.00 O ATOM 1108 CB ASP A 83 2.763 4.039 -8.527 1.00 0.00 C ATOM 1109 CG ASP A 83 3.451 4.816 -9.635 1.00 0.00 C ATOM 1110 OD1 ASP A 83 3.262 4.459 -10.816 1.00 0.00 O ATOM 1111 OD2 ASP A 83 4.207 5.762 -9.327 1.00 0.00 O ATOM 0 H ASP A 83 2.566 2.583 -6.472 1.00 0.00 H new ATOM 0 HA ASP A 83 2.834 2.071 -9.352 1.00 0.00 H new ATOM 0 HB2 ASP A 83 1.684 4.081 -8.678 1.00 0.00 H new ATOM 0 HB3 ASP A 83 2.970 4.521 -7.571 1.00 0.00 H new ATOM 1116 N HIS A 84 5.420 2.841 -9.457 1.00 0.00 N ATOM 1117 CA HIS A 84 6.850 2.668 -9.488 1.00 0.00 C ATOM 1118 C HIS A 84 7.516 3.885 -10.073 1.00 0.00 C ATOM 1119 O HIS A 84 8.020 3.877 -11.194 1.00 0.00 O ATOM 1120 CB HIS A 84 7.242 1.411 -10.249 1.00 0.00 C ATOM 1121 CG HIS A 84 8.149 0.550 -9.440 1.00 0.00 C ATOM 1122 ND1 HIS A 84 9.388 0.970 -9.019 1.00 0.00 N ATOM 1123 CD2 HIS A 84 7.975 -0.685 -8.929 1.00 0.00 C ATOM 1124 CE1 HIS A 84 9.929 0.039 -8.268 1.00 0.00 C ATOM 1125 NE2 HIS A 84 9.101 -0.989 -8.200 1.00 0.00 N ATOM 0 H HIS A 84 5.019 3.278 -10.287 1.00 0.00 H new ATOM 0 HA HIS A 84 7.196 2.547 -8.461 1.00 0.00 H new ATOM 0 HB2 HIS A 84 6.346 0.850 -10.515 1.00 0.00 H new ATOM 0 HB3 HIS A 84 7.734 1.686 -11.182 1.00 0.00 H new ATOM 0 HD2 HIS A 84 7.111 -1.319 -9.067 1.00 0.00 H new ATOM 0 HE1 HIS A 84 10.893 0.103 -7.785 1.00 0.00 H new ATOM 0 HE2 HIS A 84 9.268 -1.859 -7.694 1.00 0.00 H new ATOM 1134 N THR A 85 7.505 4.929 -9.287 1.00 0.00 N ATOM 1135 CA THR A 85 8.172 6.152 -9.642 1.00 0.00 C ATOM 1136 C THR A 85 9.698 5.964 -9.524 1.00 0.00 C ATOM 1137 O THR A 85 10.153 5.049 -8.831 1.00 0.00 O ATOM 1138 CB THR A 85 7.668 7.276 -8.722 1.00 0.00 C ATOM 1139 OG1 THR A 85 6.251 7.460 -8.888 1.00 0.00 O ATOM 1140 CG2 THR A 85 8.361 8.572 -9.019 1.00 0.00 C ATOM 0 H THR A 85 7.033 4.955 -8.383 1.00 0.00 H new ATOM 0 HA THR A 85 7.950 6.423 -10.674 1.00 0.00 H new ATOM 0 HB THR A 85 7.888 6.982 -7.696 1.00 0.00 H new ATOM 0 HG1 THR A 85 5.834 6.602 -9.113 1.00 0.00 H new ATOM 0 HG21 THR A 85 7.983 9.348 -8.353 1.00 0.00 H new ATOM 0 HG22 THR A 85 9.434 8.454 -8.867 1.00 0.00 H new ATOM 0 HG23 THR A 85 8.170 8.858 -10.053 1.00 0.00 H new ATOM 1148 N GLU A 86 10.475 6.807 -10.211 1.00 0.00 N ATOM 1149 CA GLU A 86 11.936 6.691 -10.225 1.00 0.00 C ATOM 1150 C GLU A 86 12.519 6.656 -8.812 1.00 0.00 C ATOM 1151 O GLU A 86 13.512 5.970 -8.562 1.00 0.00 O ATOM 1152 CB GLU A 86 12.551 7.857 -10.998 1.00 0.00 C ATOM 1153 CG GLU A 86 12.027 7.996 -12.414 1.00 0.00 C ATOM 1154 CD GLU A 86 11.076 9.161 -12.561 1.00 0.00 C ATOM 1155 OE1 GLU A 86 9.945 9.078 -12.036 1.00 0.00 O ATOM 1156 OE2 GLU A 86 11.457 10.166 -13.196 1.00 0.00 O ATOM 0 H GLU A 86 10.113 7.581 -10.768 1.00 0.00 H new ATOM 0 HA GLU A 86 12.181 5.750 -10.717 1.00 0.00 H new ATOM 0 HB2 GLU A 86 12.357 8.783 -10.456 1.00 0.00 H new ATOM 0 HB3 GLU A 86 13.633 7.728 -11.032 1.00 0.00 H new ATOM 0 HG2 GLU A 86 12.865 8.126 -13.098 1.00 0.00 H new ATOM 0 HG3 GLU A 86 11.519 7.076 -12.703 1.00 0.00 H new ATOM 1163 N GLU A 87 11.907 7.407 -7.902 1.00 0.00 N ATOM 1164 CA GLU A 87 12.327 7.421 -6.505 1.00 0.00 C ATOM 1165 C GLU A 87 12.262 6.012 -5.917 1.00 0.00 C ATOM 1166 O GLU A 87 13.281 5.417 -5.556 1.00 0.00 O ATOM 1167 CB GLU A 87 11.432 8.362 -5.701 1.00 0.00 C ATOM 1168 CG GLU A 87 12.199 9.438 -4.951 1.00 0.00 C ATOM 1169 CD GLU A 87 12.262 9.174 -3.462 1.00 0.00 C ATOM 1170 OE1 GLU A 87 11.285 8.633 -2.910 1.00 0.00 O ATOM 1171 OE2 GLU A 87 13.292 9.511 -2.839 1.00 0.00 O ATOM 0 H GLU A 87 11.115 8.016 -8.108 1.00 0.00 H new ATOM 0 HA GLU A 87 13.356 7.775 -6.453 1.00 0.00 H new ATOM 0 HB2 GLU A 87 10.721 8.838 -6.376 1.00 0.00 H new ATOM 0 HB3 GLU A 87 10.852 7.777 -4.987 1.00 0.00 H new ATOM 0 HG2 GLU A 87 13.212 9.502 -5.349 1.00 0.00 H new ATOM 0 HG3 GLU A 87 11.727 10.405 -5.126 1.00 0.00 H new ATOM 1178 N GLY A 88 11.057 5.478 -5.859 1.00 0.00 N ATOM 1179 CA GLY A 88 10.838 4.156 -5.332 1.00 0.00 C ATOM 1180 C GLY A 88 9.401 3.741 -5.535 1.00 0.00 C ATOM 1181 O GLY A 88 8.644 4.468 -6.181 1.00 0.00 O ATOM 0 H GLY A 88 10.210 5.950 -6.176 1.00 0.00 H new ATOM 0 HA2 GLY A 88 11.502 3.446 -5.826 1.00 0.00 H new ATOM 0 HA3 GLY A 88 11.083 4.136 -4.270 1.00 0.00 H new ATOM 1185 N PRO A 89 8.981 2.582 -5.009 1.00 0.00 N ATOM 1186 CA PRO A 89 7.595 2.140 -5.118 1.00 0.00 C ATOM 1187 C PRO A 89 6.682 3.005 -4.262 1.00 0.00 C ATOM 1188 O PRO A 89 6.969 3.265 -3.093 1.00 0.00 O ATOM 1189 CB PRO A 89 7.619 0.684 -4.617 1.00 0.00 C ATOM 1190 CG PRO A 89 9.069 0.327 -4.472 1.00 0.00 C ATOM 1191 CD PRO A 89 9.804 1.621 -4.269 1.00 0.00 C ATOM 0 HA PRO A 89 7.209 2.218 -6.134 1.00 0.00 H new ATOM 0 HB2 PRO A 89 7.096 0.589 -3.666 1.00 0.00 H new ATOM 0 HB3 PRO A 89 7.121 0.019 -5.323 1.00 0.00 H new ATOM 0 HG2 PRO A 89 9.222 -0.343 -3.626 1.00 0.00 H new ATOM 0 HG3 PRO A 89 9.432 -0.191 -5.359 1.00 0.00 H new ATOM 0 HD2 PRO A 89 9.880 1.882 -3.213 1.00 0.00 H new ATOM 0 HD3 PRO A 89 10.821 1.574 -4.659 1.00 0.00 H new ATOM 1199 N VAL A 90 5.587 3.443 -4.853 1.00 0.00 N ATOM 1200 CA VAL A 90 4.739 4.454 -4.246 1.00 0.00 C ATOM 1201 C VAL A 90 3.273 4.053 -4.325 1.00 0.00 C ATOM 1202 O VAL A 90 2.950 2.990 -4.834 1.00 0.00 O ATOM 1203 CB VAL A 90 4.933 5.808 -4.954 1.00 0.00 C ATOM 1204 CG1 VAL A 90 5.829 6.719 -4.132 1.00 0.00 C ATOM 1205 CG2 VAL A 90 5.518 5.599 -6.347 1.00 0.00 C ATOM 0 H VAL A 90 5.261 3.112 -5.761 1.00 0.00 H new ATOM 0 HA VAL A 90 5.025 4.545 -3.198 1.00 0.00 H new ATOM 0 HB VAL A 90 3.959 6.287 -5.054 1.00 0.00 H new ATOM 0 HG11 VAL A 90 5.954 7.670 -4.649 1.00 0.00 H new ATOM 0 HG12 VAL A 90 5.374 6.893 -3.157 1.00 0.00 H new ATOM 0 HG13 VAL A 90 6.803 6.248 -3.999 1.00 0.00 H new ATOM 0 HG21 VAL A 90 5.649 6.565 -6.835 1.00 0.00 H new ATOM 0 HG22 VAL A 90 6.483 5.099 -6.265 1.00 0.00 H new ATOM 0 HG23 VAL A 90 4.840 4.983 -6.938 1.00 0.00 H new ATOM 1215 N CYS A 91 2.389 4.910 -3.830 1.00 0.00 N ATOM 1216 CA CYS A 91 0.962 4.622 -3.874 1.00 0.00 C ATOM 1217 C CYS A 91 0.466 4.633 -5.314 1.00 0.00 C ATOM 1218 O CYS A 91 0.797 5.532 -6.085 1.00 0.00 O ATOM 1219 CB CYS A 91 0.176 5.631 -3.031 1.00 0.00 C ATOM 1220 SG CYS A 91 -0.780 4.866 -1.680 1.00 0.00 S ATOM 0 H CYS A 91 2.632 5.801 -3.398 1.00 0.00 H new ATOM 0 HA CYS A 91 0.800 3.629 -3.454 1.00 0.00 H new ATOM 0 HB2 CYS A 91 0.870 6.357 -2.608 1.00 0.00 H new ATOM 0 HB3 CYS A 91 -0.505 6.182 -3.680 1.00 0.00 H new ATOM 1225 N LYS A 92 -0.314 3.619 -5.672 1.00 0.00 N ATOM 1226 CA LYS A 92 -0.808 3.468 -7.030 1.00 0.00 C ATOM 1227 C LYS A 92 -1.865 4.509 -7.339 1.00 0.00 C ATOM 1228 O LYS A 92 -1.833 5.155 -8.385 1.00 0.00 O ATOM 1229 CB LYS A 92 -1.425 2.083 -7.211 1.00 0.00 C ATOM 1230 CG LYS A 92 -0.772 1.244 -8.293 1.00 0.00 C ATOM 1231 CD LYS A 92 -0.588 2.016 -9.585 1.00 0.00 C ATOM 1232 CE LYS A 92 -1.443 1.443 -10.708 1.00 0.00 C ATOM 1233 NZ LYS A 92 -2.459 0.474 -10.210 1.00 0.00 N ATOM 0 H LYS A 92 -0.618 2.885 -5.032 1.00 0.00 H new ATOM 0 HA LYS A 92 0.036 3.597 -7.708 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -1.365 1.545 -6.265 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -2.483 2.198 -7.446 1.00 0.00 H new ATOM 0 HG2 LYS A 92 0.198 0.892 -7.941 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -1.382 0.361 -8.483 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -0.850 3.062 -9.425 1.00 0.00 H new ATOM 0 HD3 LYS A 92 0.462 1.992 -9.878 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -1.946 2.257 -11.229 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -0.799 0.949 -11.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -3.180 0.319 -10.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -1.996 -0.429 -9.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -2.912 0.855 -9.355 1.00 0.00 H new ATOM 1247 N ASN A 93 -2.797 4.659 -6.416 1.00 0.00 N ATOM 1248 CA ASN A 93 -3.969 5.481 -6.650 1.00 0.00 C ATOM 1249 C ASN A 93 -4.481 6.077 -5.347 1.00 0.00 C ATOM 1250 O ASN A 93 -4.356 7.276 -5.105 1.00 0.00 O ATOM 1251 CB ASN A 93 -5.073 4.634 -7.295 1.00 0.00 C ATOM 1252 CG ASN A 93 -5.098 4.736 -8.809 1.00 0.00 C ATOM 1253 OD1 ASN A 93 -5.564 5.727 -9.371 1.00 0.00 O ATOM 1254 ND2 ASN A 93 -4.624 3.693 -9.479 1.00 0.00 N ATOM 0 H ASN A 93 -2.765 4.221 -5.495 1.00 0.00 H new ATOM 0 HA ASN A 93 -3.691 6.296 -7.319 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -4.935 3.591 -7.010 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -6.040 4.947 -6.900 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -4.637 3.693 -10.499 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -4.246 2.891 -8.974 1.00 0.00 H new ATOM 1261 N ILE A 94 -5.043 5.224 -4.502 1.00 0.00 N ATOM 1262 CA ILE A 94 -5.689 5.671 -3.280 1.00 0.00 C ATOM 1263 C ILE A 94 -4.766 5.512 -2.080 1.00 0.00 C ATOM 1264 O ILE A 94 -4.305 4.413 -1.785 1.00 0.00 O ATOM 1265 CB ILE A 94 -6.989 4.878 -3.025 1.00 0.00 C ATOM 1266 CG1 ILE A 94 -7.887 4.902 -4.263 1.00 0.00 C ATOM 1267 CG2 ILE A 94 -7.732 5.432 -1.821 1.00 0.00 C ATOM 1268 CD1 ILE A 94 -8.823 3.718 -4.351 1.00 0.00 C ATOM 0 H ILE A 94 -5.063 4.214 -4.643 1.00 0.00 H new ATOM 0 HA ILE A 94 -5.927 6.727 -3.408 1.00 0.00 H new ATOM 0 HB ILE A 94 -6.718 3.843 -2.814 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -8.474 5.820 -4.258 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -7.262 4.928 -5.155 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -8.644 4.858 -1.661 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -7.098 5.360 -0.937 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -7.987 6.476 -2.000 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -9.430 3.800 -5.253 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -8.242 2.797 -4.387 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -9.473 3.703 -3.476 1.00 0.00 H new ATOM 1280 N VAL A 95 -4.483 6.613 -1.407 1.00 0.00 N ATOM 1281 CA VAL A 95 -3.754 6.558 -0.151 1.00 0.00 C ATOM 1282 C VAL A 95 -4.755 6.509 0.996 1.00 0.00 C ATOM 1283 O VAL A 95 -5.702 7.301 1.039 1.00 0.00 O ATOM 1284 CB VAL A 95 -2.790 7.758 0.017 1.00 0.00 C ATOM 1285 CG1 VAL A 95 -3.528 9.088 -0.083 1.00 0.00 C ATOM 1286 CG2 VAL A 95 -2.026 7.658 1.332 1.00 0.00 C ATOM 0 H VAL A 95 -4.745 7.552 -1.707 1.00 0.00 H new ATOM 0 HA VAL A 95 -3.137 5.660 -0.148 1.00 0.00 H new ATOM 0 HB VAL A 95 -2.071 7.720 -0.801 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -2.820 9.907 0.040 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -4.007 9.166 -1.059 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -4.286 9.143 0.699 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -1.355 8.511 1.429 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -2.731 7.655 2.163 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -1.445 6.736 1.346 1.00 0.00 H new ATOM 1296 N ALA A 96 -4.575 5.565 1.901 1.00 0.00 N ATOM 1297 CA ALA A 96 -5.539 5.365 2.966 1.00 0.00 C ATOM 1298 C ALA A 96 -4.874 4.855 4.232 1.00 0.00 C ATOM 1299 O ALA A 96 -3.700 4.474 4.233 1.00 0.00 O ATOM 1300 CB ALA A 96 -6.615 4.391 2.513 1.00 0.00 C ATOM 0 H ALA A 96 -3.777 4.930 1.920 1.00 0.00 H new ATOM 0 HA ALA A 96 -5.993 6.329 3.194 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -7.336 4.245 3.318 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -7.125 4.793 1.638 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -6.157 3.435 2.259 1.00 0.00 H new ATOM 1306 N CYS A 97 -5.634 4.846 5.308 1.00 0.00 N ATOM 1307 CA CYS A 97 -5.165 4.299 6.562 1.00 0.00 C ATOM 1308 C CYS A 97 -5.824 2.951 6.797 1.00 0.00 C ATOM 1309 O CYS A 97 -7.046 2.854 6.934 1.00 0.00 O ATOM 1310 CB CYS A 97 -5.452 5.260 7.716 1.00 0.00 C ATOM 1311 SG CYS A 97 -6.020 6.916 7.190 1.00 0.00 S ATOM 0 H CYS A 97 -6.585 5.214 5.337 1.00 0.00 H new ATOM 0 HA CYS A 97 -4.085 4.163 6.514 1.00 0.00 H new ATOM 0 HB2 CYS A 97 -6.209 4.817 8.363 1.00 0.00 H new ATOM 0 HB3 CYS A 97 -4.548 5.372 8.314 1.00 0.00 H new ATOM 1316 N CYS A 98 -5.010 1.913 6.824 1.00 0.00 N ATOM 1317 CA CYS A 98 -5.507 0.554 6.898 1.00 0.00 C ATOM 1318 C CYS A 98 -4.704 -0.262 7.895 1.00 0.00 C ATOM 1319 O CYS A 98 -3.477 -0.330 7.809 1.00 0.00 O ATOM 1320 CB CYS A 98 -5.434 -0.101 5.519 1.00 0.00 C ATOM 1321 SG CYS A 98 -6.228 -1.737 5.420 1.00 0.00 S ATOM 0 H CYS A 98 -3.993 1.987 6.795 1.00 0.00 H new ATOM 0 HA CYS A 98 -6.544 0.586 7.232 1.00 0.00 H new ATOM 0 HB2 CYS A 98 -5.902 0.561 4.791 1.00 0.00 H new ATOM 0 HB3 CYS A 98 -4.387 -0.201 5.233 1.00 0.00 H new ATOM 1326 N PRO A 99 -5.394 -0.889 8.851 1.00 0.00 N ATOM 1327 CA PRO A 99 -4.758 -1.745 9.854 1.00 0.00 C ATOM 1328 C PRO A 99 -4.175 -3.006 9.223 1.00 0.00 C ATOM 1329 O PRO A 99 -4.816 -3.642 8.383 1.00 0.00 O ATOM 1330 CB PRO A 99 -5.916 -2.101 10.794 1.00 0.00 C ATOM 1331 CG PRO A 99 -7.142 -1.954 9.962 1.00 0.00 C ATOM 1332 CD PRO A 99 -6.858 -0.826 9.018 1.00 0.00 C ATOM 0 HA PRO A 99 -3.923 -1.255 10.356 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -5.817 -3.117 11.176 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -5.942 -1.437 11.658 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -7.359 -2.874 9.419 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -8.012 -1.737 10.582 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -7.378 -0.955 8.069 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -7.176 0.133 9.428 1.00 0.00 H new ATOM 1340 N GLU A 100 -2.947 -3.354 9.595 1.00 0.00 N ATOM 1341 CA GLU A 100 -2.337 -4.578 9.103 1.00 0.00 C ATOM 1342 C GLU A 100 -3.078 -5.785 9.658 1.00 0.00 C ATOM 1343 O GLU A 100 -3.146 -5.987 10.869 1.00 0.00 O ATOM 1344 CB GLU A 100 -0.859 -4.646 9.479 1.00 0.00 C ATOM 1345 CG GLU A 100 -0.056 -5.598 8.604 1.00 0.00 C ATOM 1346 CD GLU A 100 0.863 -6.487 9.412 1.00 0.00 C ATOM 1347 OE1 GLU A 100 1.805 -5.957 10.038 1.00 0.00 O ATOM 1348 OE2 GLU A 100 0.639 -7.713 9.427 1.00 0.00 O ATOM 0 H GLU A 100 -2.362 -2.810 10.229 1.00 0.00 H new ATOM 0 HA GLU A 100 -2.407 -4.583 8.015 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -0.427 -3.648 9.408 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -0.770 -4.958 10.519 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -0.740 -6.218 8.024 1.00 0.00 H new ATOM 0 HG3 GLU A 100 0.534 -5.022 7.891 1.00 0.00 H new ATOM 1355 N GLY A 101 -3.648 -6.568 8.763 1.00 0.00 N ATOM 1356 CA GLY A 101 -4.431 -7.703 9.166 1.00 0.00 C ATOM 1357 C GLY A 101 -5.878 -7.522 8.800 1.00 0.00 C ATOM 1358 O GLY A 101 -6.209 -7.379 7.626 1.00 0.00 O ATOM 0 H GLY A 101 -3.579 -6.433 7.754 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -4.043 -8.604 8.690 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -4.341 -7.847 10.243 1.00 0.00 H new ATOM 1362 N THR A 102 -6.721 -7.456 9.809 1.00 0.00 N ATOM 1363 CA THR A 102 -8.156 -7.431 9.613 1.00 0.00 C ATOM 1364 C THR A 102 -8.688 -6.006 9.692 1.00 0.00 C ATOM 1365 O THR A 102 -7.912 -5.056 9.809 1.00 0.00 O ATOM 1366 CB THR A 102 -8.854 -8.300 10.677 1.00 0.00 C ATOM 1367 OG1 THR A 102 -8.547 -7.807 11.986 1.00 0.00 O ATOM 1368 CG2 THR A 102 -8.411 -9.753 10.574 1.00 0.00 C ATOM 0 H THR A 102 -6.432 -7.418 10.786 1.00 0.00 H new ATOM 0 HA THR A 102 -8.369 -7.831 8.622 1.00 0.00 H new ATOM 0 HB THR A 102 -9.929 -8.248 10.502 1.00 0.00 H new ATOM 0 HG1 THR A 102 -8.995 -8.362 12.658 1.00 0.00 H new ATOM 0 HG21 THR A 102 -8.919 -10.343 11.337 1.00 0.00 H new ATOM 0 HG22 THR A 102 -8.663 -10.141 9.587 1.00 0.00 H new ATOM 0 HG23 THR A 102 -7.333 -9.816 10.725 1.00 0.00 H new ATOM 1376 N THR A 103 -10.011 -5.877 9.632 1.00 0.00 N ATOM 1377 CA THR A 103 -10.691 -4.590 9.742 1.00 0.00 C ATOM 1378 C THR A 103 -10.539 -3.752 8.477 1.00 0.00 C ATOM 1379 O THR A 103 -9.575 -3.888 7.723 1.00 0.00 O ATOM 1380 CB THR A 103 -10.222 -3.784 10.976 1.00 0.00 C ATOM 1381 OG1 THR A 103 -9.894 -4.682 12.048 1.00 0.00 O ATOM 1382 CG2 THR A 103 -11.305 -2.813 11.436 1.00 0.00 C ATOM 0 H THR A 103 -10.644 -6.666 9.505 1.00 0.00 H new ATOM 0 HA THR A 103 -11.748 -4.820 9.872 1.00 0.00 H new ATOM 0 HB THR A 103 -9.339 -3.210 10.695 1.00 0.00 H new ATOM 0 HG1 THR A 103 -9.596 -4.167 12.827 1.00 0.00 H new ATOM 0 HG21 THR A 103 -10.951 -2.258 12.305 1.00 0.00 H new ATOM 0 HG22 THR A 103 -11.535 -2.116 10.630 1.00 0.00 H new ATOM 0 HG23 THR A 103 -12.203 -3.370 11.702 1.00 0.00 H new ATOM 1390 N ASN A 104 -11.530 -2.910 8.244 1.00 0.00 N ATOM 1391 CA ASN A 104 -11.602 -2.095 7.048 1.00 0.00 C ATOM 1392 C ASN A 104 -10.640 -0.919 7.130 1.00 0.00 C ATOM 1393 O ASN A 104 -10.220 -0.515 8.216 1.00 0.00 O ATOM 1394 CB ASN A 104 -13.028 -1.575 6.843 1.00 0.00 C ATOM 1395 CG ASN A 104 -13.711 -1.216 8.154 1.00 0.00 C ATOM 1396 OD1 ASN A 104 -14.234 -2.083 8.853 1.00 0.00 O ATOM 1397 ND2 ASN A 104 -13.709 0.063 8.494 1.00 0.00 N ATOM 0 H ASN A 104 -12.312 -2.773 8.885 1.00 0.00 H new ATOM 0 HA ASN A 104 -11.319 -2.720 6.201 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -13.002 -0.697 6.198 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -13.617 -2.333 6.326 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -14.152 0.360 9.363 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -13.264 0.751 7.887 1.00 0.00 H new ATOM 1404 N CYS A 105 -10.314 -0.364 5.977 1.00 0.00 N ATOM 1405 CA CYS A 105 -9.403 0.762 5.897 1.00 0.00 C ATOM 1406 C CYS A 105 -10.155 2.006 5.438 1.00 0.00 C ATOM 1407 O CYS A 105 -11.034 1.929 4.577 1.00 0.00 O ATOM 1408 CB CYS A 105 -8.285 0.437 4.907 1.00 0.00 C ATOM 1409 SG CYS A 105 -8.050 -1.351 4.618 1.00 0.00 S ATOM 0 H CYS A 105 -10.671 -0.679 5.075 1.00 0.00 H new ATOM 0 HA CYS A 105 -8.974 0.952 6.881 1.00 0.00 H new ATOM 0 HB2 CYS A 105 -8.502 0.923 3.956 1.00 0.00 H new ATOM 0 HB3 CYS A 105 -7.351 0.861 5.276 1.00 0.00 H new ATOM 1414 N VAL A 106 -9.816 3.151 6.006 1.00 0.00 N ATOM 1415 CA VAL A 106 -10.491 4.391 5.670 1.00 0.00 C ATOM 1416 C VAL A 106 -9.677 5.209 4.667 1.00 0.00 C ATOM 1417 O VAL A 106 -8.457 5.334 4.787 1.00 0.00 O ATOM 1418 CB VAL A 106 -10.805 5.235 6.939 1.00 0.00 C ATOM 1419 CG1 VAL A 106 -11.242 4.338 8.089 1.00 0.00 C ATOM 1420 CG2 VAL A 106 -9.615 6.085 7.367 1.00 0.00 C ATOM 0 H VAL A 106 -9.077 3.247 6.702 1.00 0.00 H new ATOM 0 HA VAL A 106 -11.440 4.125 5.204 1.00 0.00 H new ATOM 0 HB VAL A 106 -11.622 5.909 6.680 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -11.456 4.949 8.966 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -12.138 3.789 7.802 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -10.444 3.633 8.324 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -9.878 6.658 8.256 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -8.767 5.438 7.590 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -9.348 6.769 6.561 1.00 0.00 H new ATOM 1430 N ALA A 107 -10.362 5.732 3.658 1.00 0.00 N ATOM 1431 CA ALA A 107 -9.731 6.590 2.668 1.00 0.00 C ATOM 1432 C ALA A 107 -10.038 8.044 2.986 1.00 0.00 C ATOM 1433 O ALA A 107 -11.183 8.488 2.877 1.00 0.00 O ATOM 1434 CB ALA A 107 -10.197 6.234 1.267 1.00 0.00 C ATOM 0 H ALA A 107 -11.358 5.575 3.505 1.00 0.00 H new ATOM 0 HA ALA A 107 -8.652 6.439 2.705 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -9.711 6.890 0.544 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -9.937 5.198 1.049 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -11.278 6.359 1.200 1.00 0.00 H new ATOM 1440 N VAL A 108 -9.012 8.780 3.377 1.00 0.00 N ATOM 1441 CA VAL A 108 -9.193 10.130 3.903 1.00 0.00 C ATOM 1442 C VAL A 108 -9.038 11.203 2.833 1.00 0.00 C ATOM 1443 O VAL A 108 -8.766 12.361 3.146 1.00 0.00 O ATOM 1444 CB VAL A 108 -8.202 10.422 5.046 1.00 0.00 C ATOM 1445 CG1 VAL A 108 -8.710 9.842 6.358 1.00 0.00 C ATOM 1446 CG2 VAL A 108 -6.829 9.871 4.703 1.00 0.00 C ATOM 0 H VAL A 108 -8.041 8.468 3.342 1.00 0.00 H new ATOM 0 HA VAL A 108 -10.215 10.166 4.280 1.00 0.00 H new ATOM 0 HB VAL A 108 -8.118 11.502 5.168 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -7.996 10.059 7.152 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -9.673 10.288 6.604 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -8.825 8.763 6.258 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -6.138 10.084 5.518 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -6.896 8.793 4.556 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -6.467 10.340 3.788 1.00 0.00 H new ATOM 1456 N ASP A 109 -9.209 10.831 1.578 1.00 0.00 N ATOM 1457 CA ASP A 109 -9.134 11.808 0.502 1.00 0.00 C ATOM 1458 C ASP A 109 -10.445 11.889 -0.254 1.00 0.00 C ATOM 1459 O ASP A 109 -11.059 10.871 -0.585 1.00 0.00 O ATOM 1460 CB ASP A 109 -8.003 11.504 -0.480 1.00 0.00 C ATOM 1461 CG ASP A 109 -8.030 12.440 -1.683 1.00 0.00 C ATOM 1462 OD1 ASP A 109 -8.241 13.663 -1.495 1.00 0.00 O ATOM 1463 OD2 ASP A 109 -7.859 11.958 -2.819 1.00 0.00 O ATOM 0 H ASP A 109 -9.398 9.874 1.279 1.00 0.00 H new ATOM 0 HA ASP A 109 -8.926 12.768 0.975 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -7.044 11.596 0.030 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -8.085 10.472 -0.821 1.00 0.00 H new