USER MOD reduce.3.24.130724 H: found=0, std=0, add=830, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 833 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 67 ASN : amide:sc=-0.00952 K(o=-0.092,f=-0.88) USER MOD Set 1.2: A 71 CYS SG : rot 11:sc= -0.0822 USER MOD Single : A 13 GLN : amide:sc= -1.67! C(o=-1.7!,f=-1.8!) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= -0.0328 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 HIS : no HD1:sc= -0.205 X(o=-0.2,f=-0.089) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 MET CE :methyl -154:sc= -1.56! (180deg=-2.3!) USER MOD Single : A 63 HIS : no HE2:sc= -1.53 K(o=-1.5,f=-0.65) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 78 ASN : amide:sc= -2.12! C(o=-2.1!,f=-2.3!) USER MOD Single : A 79 SER OG : rot -170:sc= 0.187 USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 THR OG1 : rot 180:sc= -0.205 USER MOD Single : A 86 GLN : amide:sc= -0.0364 K(o=-0.036,f=-1.8!) USER MOD Single : A 87 CYS SG : rot 84:sc= -1.04 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 143:sc= 0.393 (180deg=0.0348) USER MOD Single : A 93 LYS NZ :NH3+ -139:sc= 0 (180deg=-0.853) USER MOD Single : A 97 GLN : amide:sc= -0.422 K(o=-0.42,f=-0.94) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot -50:sc= 0.372 USER MOD Single : A 106 MET CE :methyl -114:sc= -0.115 (180deg=-2.11!) USER MOD Single : A 108 HIS : no HE2:sc= -3.66! C(o=-3.7!,f=-5.1!) USER MOD Single : A 115 GLN : amide:sc= -3.13! C(o=-3.1!,f=-10!) USER MOD Single : A 116 GLN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 117 ASN : amide:sc= 1.11 K(o=1.1,f=-0.14) USER MOD Single : A 120 HIS : no HD1:sc= -0.1 X(o=-0.1,f=-0.54) USER MOD ----------------------------------------------------------------- ATOM 122 N VAL A 12 -3.604 16.781 -1.652 1.00 0.00 N ATOM 123 CA VAL A 12 -4.056 15.796 -0.678 1.00 0.00 C ATOM 124 C VAL A 12 -5.448 15.279 -1.024 1.00 0.00 C ATOM 125 O VAL A 12 -5.701 14.075 -0.981 1.00 0.00 O ATOM 126 CB VAL A 12 -4.078 16.383 0.746 1.00 0.00 C ATOM 127 CG1 VAL A 12 -4.420 15.305 1.763 1.00 0.00 C ATOM 128 CG2 VAL A 12 -2.742 17.032 1.074 1.00 0.00 C ATOM 0 HA VAL A 12 -3.346 14.970 -0.711 1.00 0.00 H new ATOM 0 HB VAL A 12 -4.851 17.150 0.792 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -4.431 15.739 2.763 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -5.402 14.890 1.537 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -3.672 14.513 1.719 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -2.775 17.442 2.084 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -1.950 16.286 1.011 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -2.543 17.834 0.363 1.00 0.00 H new ATOM 138 N GLN A 13 -6.346 16.197 -1.367 1.00 0.00 N ATOM 139 CA GLN A 13 -7.713 15.833 -1.720 1.00 0.00 C ATOM 140 C GLN A 13 -7.750 15.081 -3.046 1.00 0.00 C ATOM 141 O GLN A 13 -8.565 14.178 -3.235 1.00 0.00 O ATOM 142 CB GLN A 13 -8.590 17.084 -1.805 1.00 0.00 C ATOM 143 CG GLN A 13 -8.678 17.671 -3.204 1.00 0.00 C ATOM 144 CD GLN A 13 -9.783 17.044 -4.031 1.00 0.00 C ATOM 145 OE1 GLN A 13 -9.563 16.628 -5.170 1.00 0.00 O ATOM 146 NE2 GLN A 13 -10.981 16.972 -3.463 1.00 0.00 N ATOM 0 H GLN A 13 -6.152 17.197 -1.408 1.00 0.00 H new ATOM 0 HA GLN A 13 -8.101 15.178 -0.940 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -9.594 16.838 -1.459 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -8.196 17.841 -1.127 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -8.847 18.745 -3.133 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -7.724 17.531 -3.713 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -11.119 17.329 -2.517 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -11.763 16.560 -3.972 1.00 0.00 H new ATOM 155 N GLU A 14 -6.863 15.459 -3.961 1.00 0.00 N ATOM 156 CA GLU A 14 -6.797 14.819 -5.270 1.00 0.00 C ATOM 157 C GLU A 14 -6.475 13.333 -5.134 1.00 0.00 C ATOM 158 O GLU A 14 -7.261 12.479 -5.540 1.00 0.00 O ATOM 159 CB GLU A 14 -5.742 15.503 -6.143 1.00 0.00 C ATOM 160 CG GLU A 14 -6.290 16.654 -6.969 1.00 0.00 C ATOM 161 CD GLU A 14 -5.271 17.209 -7.945 1.00 0.00 C ATOM 162 OE1 GLU A 14 -4.524 16.405 -8.542 1.00 0.00 O ATOM 163 OE2 GLU A 14 -5.219 18.445 -8.112 1.00 0.00 O ATOM 0 H GLU A 14 -6.181 16.204 -3.820 1.00 0.00 H new ATOM 0 HA GLU A 14 -7.773 14.919 -5.745 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -4.940 15.874 -5.505 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -5.301 14.764 -6.812 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -7.168 16.316 -7.519 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -6.620 17.450 -6.302 1.00 0.00 H new ATOM 170 N GLU A 15 -5.313 13.036 -4.560 1.00 0.00 N ATOM 171 CA GLU A 15 -4.887 11.654 -4.372 1.00 0.00 C ATOM 172 C GLU A 15 -6.047 10.788 -3.889 1.00 0.00 C ATOM 173 O GLU A 15 -6.302 9.712 -4.432 1.00 0.00 O ATOM 174 CB GLU A 15 -3.733 11.585 -3.369 1.00 0.00 C ATOM 175 CG GLU A 15 -3.129 10.197 -3.231 1.00 0.00 C ATOM 176 CD GLU A 15 -2.001 9.951 -4.213 1.00 0.00 C ATOM 177 OE1 GLU A 15 -2.294 9.656 -5.391 1.00 0.00 O ATOM 178 OE2 GLU A 15 -0.825 10.054 -3.804 1.00 0.00 O ATOM 0 H GLU A 15 -4.651 13.733 -4.218 1.00 0.00 H new ATOM 0 HA GLU A 15 -4.547 11.271 -5.334 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -2.954 12.282 -3.676 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -4.090 11.915 -2.394 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -2.756 10.067 -2.215 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -3.908 9.449 -3.383 1.00 0.00 H new ATOM 185 N LEU A 16 -6.746 11.263 -2.864 1.00 0.00 N ATOM 186 CA LEU A 16 -7.879 10.533 -2.306 1.00 0.00 C ATOM 187 C LEU A 16 -8.945 10.288 -3.369 1.00 0.00 C ATOM 188 O LEU A 16 -9.236 9.145 -3.719 1.00 0.00 O ATOM 189 CB LEU A 16 -8.481 11.307 -1.132 1.00 0.00 C ATOM 190 CG LEU A 16 -7.565 11.517 0.074 1.00 0.00 C ATOM 191 CD1 LEU A 16 -8.230 12.422 1.099 1.00 0.00 C ATOM 192 CD2 LEU A 16 -7.193 10.181 0.700 1.00 0.00 C ATOM 0 H LEU A 16 -6.548 12.151 -2.402 1.00 0.00 H new ATOM 0 HA LEU A 16 -7.519 9.568 -1.950 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -8.802 12.284 -1.493 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -9.375 10.781 -0.797 1.00 0.00 H new ATOM 0 HG LEU A 16 -6.651 12.002 -0.269 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -7.563 12.560 1.950 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -8.444 13.390 0.645 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -9.160 11.966 1.437 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -6.541 10.350 1.557 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -8.097 9.668 1.028 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -6.674 9.566 -0.036 1.00 0.00 H new ATOM 204 N SER A 17 -9.524 11.371 -3.880 1.00 0.00 N ATOM 205 CA SER A 17 -10.559 11.274 -4.902 1.00 0.00 C ATOM 206 C SER A 17 -10.177 10.249 -5.967 1.00 0.00 C ATOM 207 O SER A 17 -10.921 9.304 -6.230 1.00 0.00 O ATOM 208 CB SER A 17 -10.793 12.638 -5.553 1.00 0.00 C ATOM 209 OG SER A 17 -11.809 12.566 -6.538 1.00 0.00 O ATOM 0 H SER A 17 -9.293 12.325 -3.603 1.00 0.00 H new ATOM 0 HA SER A 17 -11.480 10.946 -4.420 1.00 0.00 H new ATOM 0 HB2 SER A 17 -11.072 13.365 -4.791 1.00 0.00 H new ATOM 0 HB3 SER A 17 -9.867 12.992 -6.007 1.00 0.00 H new ATOM 0 HG SER A 17 -11.940 13.451 -6.938 1.00 0.00 H new ATOM 215 N VAL A 18 -9.012 10.445 -6.576 1.00 0.00 N ATOM 216 CA VAL A 18 -8.530 9.538 -7.612 1.00 0.00 C ATOM 217 C VAL A 18 -8.655 8.084 -7.171 1.00 0.00 C ATOM 218 O VAL A 18 -9.292 7.273 -7.844 1.00 0.00 O ATOM 219 CB VAL A 18 -7.061 9.830 -7.972 1.00 0.00 C ATOM 220 CG1 VAL A 18 -6.539 8.798 -8.961 1.00 0.00 C ATOM 221 CG2 VAL A 18 -6.919 11.237 -8.532 1.00 0.00 C ATOM 0 H VAL A 18 -8.385 11.223 -6.371 1.00 0.00 H new ATOM 0 HA VAL A 18 -9.152 9.702 -8.492 1.00 0.00 H new ATOM 0 HB VAL A 18 -6.462 9.764 -7.064 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -5.500 9.020 -9.204 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -6.604 7.804 -8.518 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -7.139 8.830 -9.870 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -5.875 11.426 -8.781 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -7.529 11.335 -9.430 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -7.251 11.960 -7.787 1.00 0.00 H new ATOM 231 N LEU A 19 -8.044 7.761 -6.037 1.00 0.00 N ATOM 232 CA LEU A 19 -8.087 6.403 -5.504 1.00 0.00 C ATOM 233 C LEU A 19 -9.514 5.865 -5.501 1.00 0.00 C ATOM 234 O LEU A 19 -9.786 4.797 -6.048 1.00 0.00 O ATOM 235 CB LEU A 19 -7.514 6.372 -4.086 1.00 0.00 C ATOM 236 CG LEU A 19 -5.996 6.219 -3.978 1.00 0.00 C ATOM 237 CD1 LEU A 19 -5.520 6.591 -2.583 1.00 0.00 C ATOM 238 CD2 LEU A 19 -5.578 4.798 -4.326 1.00 0.00 C ATOM 0 H LEU A 19 -7.513 8.420 -5.468 1.00 0.00 H new ATOM 0 HA LEU A 19 -7.480 5.766 -6.148 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -7.803 7.292 -3.579 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -7.981 5.549 -3.545 1.00 0.00 H new ATOM 0 HG LEU A 19 -5.529 6.899 -4.691 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -4.438 6.476 -2.525 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -5.787 7.627 -2.372 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -5.994 5.938 -1.851 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -4.495 4.707 -4.244 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -6.054 4.100 -3.638 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -5.885 4.568 -5.346 1.00 0.00 H new ATOM 250 N ALA A 20 -10.421 6.613 -4.882 1.00 0.00 N ATOM 251 CA ALA A 20 -11.821 6.213 -4.812 1.00 0.00 C ATOM 252 C ALA A 20 -12.353 5.831 -6.189 1.00 0.00 C ATOM 253 O ALA A 20 -13.271 5.019 -6.307 1.00 0.00 O ATOM 254 CB ALA A 20 -12.660 7.331 -4.211 1.00 0.00 C ATOM 0 H ALA A 20 -10.212 7.499 -4.422 1.00 0.00 H new ATOM 0 HA ALA A 20 -11.891 5.336 -4.169 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -13.703 7.018 -4.165 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -12.303 7.554 -3.205 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -12.576 8.223 -4.832 1.00 0.00 H new ATOM 260 N ALA A 21 -11.772 6.422 -7.227 1.00 0.00 N ATOM 261 CA ALA A 21 -12.187 6.142 -8.596 1.00 0.00 C ATOM 262 C ALA A 21 -11.695 4.772 -9.051 1.00 0.00 C ATOM 263 O ALA A 21 -12.454 3.986 -9.618 1.00 0.00 O ATOM 264 CB ALA A 21 -11.677 7.226 -9.534 1.00 0.00 C ATOM 0 H ALA A 21 -11.012 7.098 -7.146 1.00 0.00 H new ATOM 0 HA ALA A 21 -13.277 6.135 -8.624 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -11.994 7.004 -10.553 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -12.083 8.191 -9.230 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -10.588 7.261 -9.492 1.00 0.00 H new ATOM 270 N ILE A 22 -10.420 4.494 -8.798 1.00 0.00 N ATOM 271 CA ILE A 22 -9.828 3.218 -9.181 1.00 0.00 C ATOM 272 C ILE A 22 -10.576 2.051 -8.546 1.00 0.00 C ATOM 273 O ILE A 22 -10.649 0.962 -9.116 1.00 0.00 O ATOM 274 CB ILE A 22 -8.344 3.143 -8.776 1.00 0.00 C ATOM 275 CG1 ILE A 22 -7.563 4.302 -9.398 1.00 0.00 C ATOM 276 CG2 ILE A 22 -7.747 1.808 -9.197 1.00 0.00 C ATOM 277 CD1 ILE A 22 -6.233 4.565 -8.726 1.00 0.00 C ATOM 0 H ILE A 22 -9.778 5.134 -8.330 1.00 0.00 H new ATOM 0 HA ILE A 22 -9.905 3.148 -10.266 1.00 0.00 H new ATOM 0 HB ILE A 22 -8.274 3.224 -7.691 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -7.392 4.089 -10.453 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -8.170 5.206 -9.350 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -6.698 1.770 -8.904 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -8.289 0.997 -8.710 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -7.826 1.699 -10.279 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -5.735 5.400 -9.219 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -6.398 4.810 -7.677 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -5.607 3.675 -8.797 1.00 0.00 H new ATOM 376 N GLU A 28 -15.412 -1.347 -0.547 1.00 0.00 N ATOM 377 CA GLU A 28 -14.022 -1.601 -0.907 1.00 0.00 C ATOM 378 C GLU A 28 -13.121 -0.461 -0.440 1.00 0.00 C ATOM 379 O GLU A 28 -11.948 -0.669 -0.133 1.00 0.00 O ATOM 380 CB GLU A 28 -13.889 -1.784 -2.420 1.00 0.00 C ATOM 381 CG GLU A 28 -12.453 -1.732 -2.916 1.00 0.00 C ATOM 382 CD GLU A 28 -11.727 -3.052 -2.739 1.00 0.00 C ATOM 383 OE1 GLU A 28 -12.260 -3.933 -2.032 1.00 0.00 O ATOM 384 OE2 GLU A 28 -10.626 -3.203 -3.308 1.00 0.00 O ATOM 0 HA GLU A 28 -13.706 -2.517 -0.408 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -14.327 -2.741 -2.702 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -14.467 -1.009 -2.923 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -12.446 -1.456 -3.971 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -11.915 -0.951 -2.379 1.00 0.00 H new ATOM 391 N TRP A 29 -13.679 0.743 -0.392 1.00 0.00 N ATOM 392 CA TRP A 29 -12.927 1.917 0.037 1.00 0.00 C ATOM 393 C TRP A 29 -13.423 2.418 1.389 1.00 0.00 C ATOM 394 O TRP A 29 -14.540 2.921 1.503 1.00 0.00 O ATOM 395 CB TRP A 29 -13.042 3.030 -1.006 1.00 0.00 C ATOM 396 CG TRP A 29 -12.596 4.368 -0.499 1.00 0.00 C ATOM 397 CD1 TRP A 29 -13.382 5.339 0.053 1.00 0.00 C ATOM 398 CD2 TRP A 29 -11.260 4.882 -0.498 1.00 0.00 C ATOM 399 NE1 TRP A 29 -12.615 6.426 0.396 1.00 0.00 N ATOM 400 CE2 TRP A 29 -11.310 6.171 0.069 1.00 0.00 C ATOM 401 CE3 TRP A 29 -10.026 4.379 -0.920 1.00 0.00 C ATOM 402 CZ2 TRP A 29 -10.173 6.960 0.224 1.00 0.00 C ATOM 403 CZ3 TRP A 29 -8.899 5.164 -0.766 1.00 0.00 C ATOM 404 CH2 TRP A 29 -8.979 6.443 -0.198 1.00 0.00 C ATOM 0 H TRP A 29 -14.649 0.932 -0.645 1.00 0.00 H new ATOM 0 HA TRP A 29 -11.880 1.630 0.139 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -12.446 2.763 -1.879 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -14.078 3.102 -1.337 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -14.449 5.263 0.198 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -12.962 7.284 0.825 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -9.955 3.395 -1.359 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -10.232 7.945 0.662 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -7.940 4.786 -1.089 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -8.080 7.032 -0.091 1.00 0.00 H new ATOM 415 N GLU A 30 -12.584 2.276 2.411 1.00 0.00 N ATOM 416 CA GLU A 30 -12.940 2.714 3.756 1.00 0.00 C ATOM 417 C GLU A 30 -11.875 3.650 4.322 1.00 0.00 C ATOM 418 O GLU A 30 -10.679 3.439 4.125 1.00 0.00 O ATOM 419 CB GLU A 30 -13.117 1.507 4.679 1.00 0.00 C ATOM 420 CG GLU A 30 -13.958 1.800 5.910 1.00 0.00 C ATOM 421 CD GLU A 30 -15.261 2.499 5.573 1.00 0.00 C ATOM 422 OE1 GLU A 30 -16.143 1.850 4.973 1.00 0.00 O ATOM 423 OE2 GLU A 30 -15.398 3.694 5.909 1.00 0.00 O ATOM 0 H GLU A 30 -11.655 1.862 2.333 1.00 0.00 H new ATOM 0 HA GLU A 30 -13.883 3.258 3.697 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -13.580 0.696 4.117 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -12.135 1.155 4.996 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -14.175 0.866 6.428 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -13.384 2.421 6.598 1.00 0.00 H new ATOM 430 N VAL A 31 -12.321 4.686 5.026 1.00 0.00 N ATOM 431 CA VAL A 31 -11.408 5.654 5.622 1.00 0.00 C ATOM 432 C VAL A 31 -11.698 5.841 7.107 1.00 0.00 C ATOM 433 O VAL A 31 -12.686 6.474 7.483 1.00 0.00 O ATOM 434 CB VAL A 31 -11.500 7.020 4.916 1.00 0.00 C ATOM 435 CG1 VAL A 31 -12.953 7.441 4.753 1.00 0.00 C ATOM 436 CG2 VAL A 31 -10.715 8.071 5.686 1.00 0.00 C ATOM 0 H VAL A 31 -13.308 4.876 5.197 1.00 0.00 H new ATOM 0 HA VAL A 31 -10.400 5.257 5.499 1.00 0.00 H new ATOM 0 HB VAL A 31 -11.061 6.926 3.923 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -12.998 8.408 4.252 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -13.482 6.698 4.156 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -13.422 7.518 5.734 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -10.791 9.030 5.173 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -11.123 8.165 6.693 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -9.668 7.773 5.745 1.00 0.00 H new ATOM 446 N LEU A 32 -10.831 5.288 7.947 1.00 0.00 N ATOM 447 CA LEU A 32 -10.993 5.394 9.393 1.00 0.00 C ATOM 448 C LEU A 32 -11.387 6.812 9.795 1.00 0.00 C ATOM 449 O LEU A 32 -12.498 7.047 10.269 1.00 0.00 O ATOM 450 CB LEU A 32 -9.698 4.992 10.102 1.00 0.00 C ATOM 451 CG LEU A 32 -9.089 3.655 9.679 1.00 0.00 C ATOM 452 CD1 LEU A 32 -7.793 3.397 10.432 1.00 0.00 C ATOM 453 CD2 LEU A 32 -10.077 2.521 9.909 1.00 0.00 C ATOM 0 H LEU A 32 -10.009 4.762 7.652 1.00 0.00 H new ATOM 0 HA LEU A 32 -11.791 4.716 9.695 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -8.958 5.775 9.935 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -9.890 4.958 11.174 1.00 0.00 H new ATOM 0 HG LEU A 32 -8.863 3.702 8.614 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -7.374 2.441 10.118 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -7.082 4.194 10.215 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -7.994 3.371 11.503 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -9.626 1.577 9.602 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -10.335 2.473 10.967 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -10.979 2.700 9.323 1.00 0.00 H new ATOM 465 N SER A 33 -10.469 7.753 9.599 1.00 0.00 N ATOM 466 CA SER A 33 -10.720 9.148 9.942 1.00 0.00 C ATOM 467 C SER A 33 -10.032 10.083 8.951 1.00 0.00 C ATOM 468 O SER A 33 -9.105 9.685 8.247 1.00 0.00 O ATOM 469 CB SER A 33 -10.231 9.442 11.361 1.00 0.00 C ATOM 470 OG SER A 33 -10.526 10.776 11.736 1.00 0.00 O ATOM 0 H SER A 33 -9.545 7.575 9.205 1.00 0.00 H new ATOM 0 HA SER A 33 -11.795 9.321 9.893 1.00 0.00 H new ATOM 0 HB2 SER A 33 -10.701 8.752 12.061 1.00 0.00 H new ATOM 0 HB3 SER A 33 -9.156 9.273 11.421 1.00 0.00 H new ATOM 0 HG SER A 33 -10.205 10.938 12.648 1.00 0.00 H new ATOM 476 N ARG A 34 -10.495 11.328 8.904 1.00 0.00 N ATOM 477 CA ARG A 34 -9.926 12.320 7.999 1.00 0.00 C ATOM 478 C ARG A 34 -9.842 13.686 8.675 1.00 0.00 C ATOM 479 O ARG A 34 -10.859 14.265 9.056 1.00 0.00 O ATOM 480 CB ARG A 34 -10.766 12.420 6.725 1.00 0.00 C ATOM 481 CG ARG A 34 -12.264 12.365 6.977 1.00 0.00 C ATOM 482 CD ARG A 34 -13.041 12.195 5.681 1.00 0.00 C ATOM 483 NE ARG A 34 -14.453 12.534 5.840 1.00 0.00 N ATOM 484 CZ ARG A 34 -14.891 13.764 6.081 1.00 0.00 C ATOM 485 NH1 ARG A 34 -14.031 14.768 6.188 1.00 0.00 N ATOM 486 NH2 ARG A 34 -16.191 13.993 6.214 1.00 0.00 N ATOM 0 H ARG A 34 -11.262 11.674 9.481 1.00 0.00 H new ATOM 0 HA ARG A 34 -8.917 12.001 7.736 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -10.526 13.352 6.214 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -10.489 11.608 6.053 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -12.491 11.538 7.650 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -12.584 13.279 7.477 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -12.601 12.827 4.909 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -12.952 11.164 5.338 1.00 0.00 H new ATOM 0 HE ARG A 34 -15.140 11.784 5.762 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -13.031 14.596 6.085 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -14.370 15.712 6.373 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -16.855 13.224 6.131 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -16.526 14.938 6.399 1.00 0.00 H new ATOM 552 N GLY A 39 -3.821 15.395 9.815 1.00 0.00 N ATOM 553 CA GLY A 39 -3.484 14.462 8.756 1.00 0.00 C ATOM 554 C GLY A 39 -4.694 13.709 8.240 1.00 0.00 C ATOM 555 O GLY A 39 -5.833 14.113 8.475 1.00 0.00 O ATOM 0 HA2 GLY A 39 -3.019 15.004 7.933 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -2.747 13.749 9.125 1.00 0.00 H new ATOM 559 N THR A 40 -4.448 12.610 7.533 1.00 0.00 N ATOM 560 CA THR A 40 -5.526 11.800 6.980 1.00 0.00 C ATOM 561 C THR A 40 -5.160 10.321 6.984 1.00 0.00 C ATOM 562 O THR A 40 -4.115 9.928 6.465 1.00 0.00 O ATOM 563 CB THR A 40 -5.869 12.229 5.540 1.00 0.00 C ATOM 564 OG1 THR A 40 -6.147 13.633 5.500 1.00 0.00 O ATOM 565 CG2 THR A 40 -7.068 11.454 5.016 1.00 0.00 C ATOM 0 H THR A 40 -3.511 12.261 7.330 1.00 0.00 H new ATOM 0 HA THR A 40 -6.398 11.957 7.616 1.00 0.00 H new ATOM 0 HB THR A 40 -5.010 12.011 4.905 1.00 0.00 H new ATOM 0 HG1 THR A 40 -6.362 13.898 4.581 1.00 0.00 H new ATOM 0 HG21 THR A 40 -7.291 11.774 3.998 1.00 0.00 H new ATOM 0 HG22 THR A 40 -6.842 10.388 5.020 1.00 0.00 H new ATOM 0 HG23 THR A 40 -7.931 11.644 5.654 1.00 0.00 H new ATOM 573 N VAL A 41 -6.027 9.503 7.572 1.00 0.00 N ATOM 574 CA VAL A 41 -5.795 8.065 7.641 1.00 0.00 C ATOM 575 C VAL A 41 -6.989 7.289 7.098 1.00 0.00 C ATOM 576 O VAL A 41 -8.137 7.576 7.438 1.00 0.00 O ATOM 577 CB VAL A 41 -5.517 7.611 9.087 1.00 0.00 C ATOM 578 CG1 VAL A 41 -5.145 6.136 9.121 1.00 0.00 C ATOM 579 CG2 VAL A 41 -4.419 8.460 9.710 1.00 0.00 C ATOM 0 H VAL A 41 -6.896 9.811 8.007 1.00 0.00 H new ATOM 0 HA VAL A 41 -4.919 7.856 7.027 1.00 0.00 H new ATOM 0 HB VAL A 41 -6.426 7.746 9.673 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -4.952 5.833 10.150 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -5.966 5.544 8.716 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -4.250 5.973 8.521 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -4.236 8.126 10.731 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -3.505 8.359 9.125 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -4.729 9.505 9.721 1.00 0.00 H new ATOM 589 N PHE A 42 -6.711 6.303 6.250 1.00 0.00 N ATOM 590 CA PHE A 42 -7.763 5.485 5.658 1.00 0.00 C ATOM 591 C PHE A 42 -7.262 4.070 5.384 1.00 0.00 C ATOM 592 O PHE A 42 -6.086 3.865 5.080 1.00 0.00 O ATOM 593 CB PHE A 42 -8.264 6.121 4.360 1.00 0.00 C ATOM 594 CG PHE A 42 -7.163 6.466 3.398 1.00 0.00 C ATOM 595 CD1 PHE A 42 -6.511 5.472 2.686 1.00 0.00 C ATOM 596 CD2 PHE A 42 -6.781 7.784 3.205 1.00 0.00 C ATOM 597 CE1 PHE A 42 -5.497 5.787 1.801 1.00 0.00 C ATOM 598 CE2 PHE A 42 -5.769 8.104 2.320 1.00 0.00 C ATOM 599 CZ PHE A 42 -5.127 7.105 1.617 1.00 0.00 C ATOM 0 H PHE A 42 -5.767 6.052 5.958 1.00 0.00 H new ATOM 0 HA PHE A 42 -8.588 5.429 6.368 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -8.959 5.436 3.874 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -8.823 7.026 4.600 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -6.798 4.440 2.824 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -7.280 8.570 3.752 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -4.994 5.003 1.254 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -5.481 9.135 2.179 1.00 0.00 H new ATOM 0 HZ PHE A 42 -4.337 7.353 0.924 1.00 0.00 H new ATOM 609 N ARG A 43 -8.161 3.098 5.494 1.00 0.00 N ATOM 610 CA ARG A 43 -7.811 1.702 5.260 1.00 0.00 C ATOM 611 C ARG A 43 -8.720 1.084 4.202 1.00 0.00 C ATOM 612 O ARG A 43 -9.931 0.974 4.398 1.00 0.00 O ATOM 613 CB ARG A 43 -7.908 0.905 6.561 1.00 0.00 C ATOM 614 CG ARG A 43 -7.829 -0.600 6.361 1.00 0.00 C ATOM 615 CD ARG A 43 -8.117 -1.350 7.652 1.00 0.00 C ATOM 616 NE ARG A 43 -8.434 -2.755 7.410 1.00 0.00 N ATOM 617 CZ ARG A 43 -8.812 -3.598 8.364 1.00 0.00 C ATOM 618 NH1 ARG A 43 -8.921 -3.180 9.618 1.00 0.00 N ATOM 619 NH2 ARG A 43 -9.083 -4.862 8.066 1.00 0.00 N ATOM 0 H ARG A 43 -9.138 3.251 5.744 1.00 0.00 H new ATOM 0 HA ARG A 43 -6.784 1.667 4.897 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -7.105 1.217 7.229 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -8.848 1.148 7.057 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -8.543 -0.904 5.595 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -6.837 -0.868 5.997 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -7.252 -1.282 8.311 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -8.950 -0.874 8.169 1.00 0.00 H new ATOM 0 HE ARG A 43 -8.361 -3.108 6.456 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -8.714 -2.209 9.852 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -9.212 -3.830 10.349 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -9.001 -5.188 7.103 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -9.373 -5.508 8.800 1.00 0.00 H new ATOM 633 N ILE A 44 -8.128 0.681 3.083 1.00 0.00 N ATOM 634 CA ILE A 44 -8.885 0.073 1.995 1.00 0.00 C ATOM 635 C ILE A 44 -8.539 -1.404 1.844 1.00 0.00 C ATOM 636 O ILE A 44 -7.411 -1.820 2.111 1.00 0.00 O ATOM 637 CB ILE A 44 -8.622 0.790 0.657 1.00 0.00 C ATOM 638 CG1 ILE A 44 -7.145 0.673 0.273 1.00 0.00 C ATOM 639 CG2 ILE A 44 -9.038 2.250 0.748 1.00 0.00 C ATOM 640 CD1 ILE A 44 -6.792 -0.646 -0.377 1.00 0.00 C ATOM 0 H ILE A 44 -7.127 0.764 2.906 1.00 0.00 H new ATOM 0 HA ILE A 44 -9.940 0.173 2.250 1.00 0.00 H new ATOM 0 HB ILE A 44 -9.219 0.311 -0.119 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -6.890 1.484 -0.409 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -6.534 0.803 1.166 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -8.846 2.743 -0.205 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -10.101 2.312 0.981 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -8.465 2.743 1.534 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -5.730 -0.658 -0.622 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -7.015 -1.462 0.311 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -7.376 -0.770 -1.289 1.00 0.00 H new ATOM 652 N HIS A 45 -9.518 -2.194 1.413 1.00 0.00 N ATOM 653 CA HIS A 45 -9.317 -3.626 1.224 1.00 0.00 C ATOM 654 C HIS A 45 -8.738 -3.916 -0.157 1.00 0.00 C ATOM 655 O HIS A 45 -9.246 -3.434 -1.170 1.00 0.00 O ATOM 656 CB HIS A 45 -10.638 -4.376 1.403 1.00 0.00 C ATOM 657 CG HIS A 45 -10.898 -4.802 2.815 1.00 0.00 C ATOM 658 ND1 HIS A 45 -12.167 -4.960 3.332 1.00 0.00 N ATOM 659 CD2 HIS A 45 -10.043 -5.107 3.819 1.00 0.00 C ATOM 660 CE1 HIS A 45 -12.081 -5.341 4.594 1.00 0.00 C ATOM 661 NE2 HIS A 45 -10.803 -5.438 4.914 1.00 0.00 N ATOM 0 H HIS A 45 -10.458 -1.867 1.188 1.00 0.00 H new ATOM 0 HA HIS A 45 -8.607 -3.970 1.976 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -11.456 -3.739 1.068 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -10.636 -5.257 0.761 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -8.964 -5.093 3.768 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -12.914 -5.539 5.252 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -10.440 -5.714 5.826 1.00 0.00 H new ATOM 670 N THR A 46 -7.669 -4.706 -0.192 1.00 0.00 N ATOM 671 CA THR A 46 -7.019 -5.058 -1.448 1.00 0.00 C ATOM 672 C THR A 46 -6.725 -6.552 -1.515 1.00 0.00 C ATOM 673 O THR A 46 -6.640 -7.226 -0.488 1.00 0.00 O ATOM 674 CB THR A 46 -5.703 -4.279 -1.637 1.00 0.00 C ATOM 675 OG1 THR A 46 -5.257 -4.393 -2.993 1.00 0.00 O ATOM 676 CG2 THR A 46 -4.626 -4.800 -0.698 1.00 0.00 C ATOM 0 H THR A 46 -7.235 -5.114 0.636 1.00 0.00 H new ATOM 0 HA THR A 46 -7.710 -4.790 -2.247 1.00 0.00 H new ATOM 0 HB THR A 46 -5.890 -3.231 -1.403 1.00 0.00 H new ATOM 0 HG1 THR A 46 -4.421 -3.894 -3.105 1.00 0.00 H new ATOM 0 HG21 THR A 46 -3.706 -4.235 -0.850 1.00 0.00 H new ATOM 0 HG22 THR A 46 -4.957 -4.685 0.334 1.00 0.00 H new ATOM 0 HG23 THR A 46 -4.442 -5.854 -0.905 1.00 0.00 H new ATOM 684 N LYS A 47 -6.571 -7.066 -2.730 1.00 0.00 N ATOM 685 CA LYS A 47 -6.284 -8.481 -2.933 1.00 0.00 C ATOM 686 C LYS A 47 -5.164 -8.670 -3.951 1.00 0.00 C ATOM 687 O LYS A 47 -5.152 -8.027 -5.000 1.00 0.00 O ATOM 688 CB LYS A 47 -7.543 -9.215 -3.402 1.00 0.00 C ATOM 689 CG LYS A 47 -8.761 -8.948 -2.535 1.00 0.00 C ATOM 690 CD LYS A 47 -9.962 -9.757 -2.996 1.00 0.00 C ATOM 691 CE LYS A 47 -9.834 -11.220 -2.599 1.00 0.00 C ATOM 692 NZ LYS A 47 -10.328 -11.465 -1.216 1.00 0.00 N ATOM 0 H LYS A 47 -6.640 -6.523 -3.591 1.00 0.00 H new ATOM 0 HA LYS A 47 -5.959 -8.900 -1.981 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -7.765 -8.919 -4.427 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -7.345 -10.287 -3.415 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -8.532 -9.194 -1.498 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -9.004 -7.886 -2.564 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -10.871 -9.340 -2.563 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -10.060 -9.680 -4.079 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -10.396 -11.837 -3.300 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -8.790 -11.526 -2.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -10.224 -12.473 -0.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -9.775 -10.896 -0.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -11.331 -11.197 -1.153 1.00 0.00 H new ATOM 706 N ALA A 48 -4.226 -9.556 -3.634 1.00 0.00 N ATOM 707 CA ALA A 48 -3.104 -9.831 -4.523 1.00 0.00 C ATOM 708 C ALA A 48 -3.342 -11.103 -5.330 1.00 0.00 C ATOM 709 O ALA A 48 -4.297 -11.838 -5.079 1.00 0.00 O ATOM 710 CB ALA A 48 -1.813 -9.944 -3.724 1.00 0.00 C ATOM 0 H ALA A 48 -4.221 -10.096 -2.768 1.00 0.00 H new ATOM 0 HA ALA A 48 -3.014 -9.000 -5.222 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -0.983 -10.150 -4.400 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -1.628 -9.008 -3.197 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -1.902 -10.756 -3.002 1.00 0.00 H new ATOM 716 N GLU A 49 -2.468 -11.356 -6.299 1.00 0.00 N ATOM 717 CA GLU A 49 -2.585 -12.539 -7.143 1.00 0.00 C ATOM 718 C GLU A 49 -2.444 -13.813 -6.316 1.00 0.00 C ATOM 719 O GLU A 49 -2.689 -14.915 -6.807 1.00 0.00 O ATOM 720 CB GLU A 49 -1.525 -12.513 -8.246 1.00 0.00 C ATOM 721 CG GLU A 49 -1.692 -11.363 -9.224 1.00 0.00 C ATOM 722 CD GLU A 49 -0.968 -11.602 -10.535 1.00 0.00 C ATOM 723 OE1 GLU A 49 -1.574 -12.205 -11.445 1.00 0.00 O ATOM 724 OE2 GLU A 49 0.204 -11.186 -10.651 1.00 0.00 O ATOM 0 H GLU A 49 -1.672 -10.758 -6.519 1.00 0.00 H new ATOM 0 HA GLU A 49 -3.574 -12.531 -7.600 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -0.538 -12.449 -7.788 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -1.561 -13.454 -8.795 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -2.753 -11.210 -9.422 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -1.318 -10.446 -8.768 1.00 0.00 H new ATOM 731 N GLY A 50 -2.046 -13.654 -5.058 1.00 0.00 N ATOM 732 CA GLY A 50 -1.879 -14.800 -4.182 1.00 0.00 C ATOM 733 C GLY A 50 -0.745 -15.705 -4.623 1.00 0.00 C ATOM 734 O GLY A 50 0.246 -15.241 -5.186 1.00 0.00 O ATOM 0 H GLY A 50 -1.836 -12.753 -4.629 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -1.689 -14.453 -3.166 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -2.807 -15.372 -4.155 1.00 0.00 H new ATOM 738 N PHE A 51 -0.890 -17.000 -4.365 1.00 0.00 N ATOM 739 CA PHE A 51 0.131 -17.973 -4.736 1.00 0.00 C ATOM 740 C PHE A 51 -0.449 -19.049 -5.650 1.00 0.00 C ATOM 741 O PHE A 51 0.068 -19.298 -6.738 1.00 0.00 O ATOM 742 CB PHE A 51 0.729 -18.619 -3.485 1.00 0.00 C ATOM 743 CG PHE A 51 1.766 -17.768 -2.808 1.00 0.00 C ATOM 744 CD1 PHE A 51 1.428 -16.535 -2.275 1.00 0.00 C ATOM 745 CD2 PHE A 51 3.078 -18.202 -2.707 1.00 0.00 C ATOM 746 CE1 PHE A 51 2.380 -15.749 -1.651 1.00 0.00 C ATOM 747 CE2 PHE A 51 4.034 -17.421 -2.084 1.00 0.00 C ATOM 748 CZ PHE A 51 3.685 -16.193 -1.557 1.00 0.00 C ATOM 0 H PHE A 51 -1.705 -17.400 -3.900 1.00 0.00 H new ATOM 0 HA PHE A 51 0.918 -17.447 -5.277 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -0.072 -18.833 -2.778 1.00 0.00 H new ATOM 0 HB3 PHE A 51 1.176 -19.575 -3.758 1.00 0.00 H new ATOM 0 HD1 PHE A 51 0.409 -16.183 -2.347 1.00 0.00 H new ATOM 0 HD2 PHE A 51 3.357 -19.160 -3.119 1.00 0.00 H new ATOM 0 HE1 PHE A 51 2.104 -14.790 -1.238 1.00 0.00 H new ATOM 0 HE2 PHE A 51 5.053 -17.771 -2.010 1.00 0.00 H new ATOM 0 HZ PHE A 51 4.431 -15.581 -1.072 1.00 0.00 H new ATOM 758 N MET A 52 -1.526 -19.683 -5.198 1.00 0.00 N ATOM 759 CA MET A 52 -2.177 -20.731 -5.974 1.00 0.00 C ATOM 760 C MET A 52 -3.480 -20.226 -6.585 1.00 0.00 C ATOM 761 O MET A 52 -4.568 -20.565 -6.118 1.00 0.00 O ATOM 762 CB MET A 52 -2.452 -21.952 -5.094 1.00 0.00 C ATOM 763 CG MET A 52 -2.665 -21.608 -3.628 1.00 0.00 C ATOM 764 SD MET A 52 -4.178 -20.668 -3.348 1.00 0.00 S ATOM 765 CE MET A 52 -3.590 -19.410 -2.216 1.00 0.00 C ATOM 0 H MET A 52 -1.966 -19.489 -4.298 1.00 0.00 H new ATOM 0 HA MET A 52 -1.505 -21.019 -6.783 1.00 0.00 H new ATOM 0 HB2 MET A 52 -3.335 -22.469 -5.470 1.00 0.00 H new ATOM 0 HB3 MET A 52 -1.616 -22.646 -5.178 1.00 0.00 H new ATOM 0 HG2 MET A 52 -2.700 -22.528 -3.044 1.00 0.00 H new ATOM 0 HG3 MET A 52 -1.813 -21.033 -3.266 1.00 0.00 H new ATOM 0 HE1 MET A 52 -4.419 -19.056 -1.603 1.00 0.00 H new ATOM 0 HE2 MET A 52 -2.818 -19.832 -1.573 1.00 0.00 H new ATOM 0 HE3 MET A 52 -3.175 -18.576 -2.782 1.00 0.00 H new ATOM 775 N ASP A 53 -3.363 -19.415 -7.630 1.00 0.00 N ATOM 776 CA ASP A 53 -4.532 -18.863 -8.305 1.00 0.00 C ATOM 777 C ASP A 53 -5.650 -18.575 -7.308 1.00 0.00 C ATOM 778 O ASP A 53 -6.793 -18.985 -7.505 1.00 0.00 O ATOM 779 CB ASP A 53 -5.030 -19.830 -9.381 1.00 0.00 C ATOM 780 CG ASP A 53 -4.738 -21.278 -9.038 1.00 0.00 C ATOM 781 OD1 ASP A 53 -3.582 -21.711 -9.226 1.00 0.00 O ATOM 782 OD2 ASP A 53 -5.666 -21.977 -8.581 1.00 0.00 O ATOM 0 H ASP A 53 -2.470 -19.125 -8.029 1.00 0.00 H new ATOM 0 HA ASP A 53 -4.239 -17.925 -8.777 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -6.104 -19.700 -9.513 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -4.560 -19.583 -10.333 1.00 0.00 H new ATOM 787 N ALA A 54 -5.310 -17.867 -6.235 1.00 0.00 N ATOM 788 CA ALA A 54 -6.285 -17.523 -5.207 1.00 0.00 C ATOM 789 C ALA A 54 -6.004 -16.141 -4.626 1.00 0.00 C ATOM 790 O ALA A 54 -4.938 -15.900 -4.060 1.00 0.00 O ATOM 791 CB ALA A 54 -6.282 -18.572 -4.105 1.00 0.00 C ATOM 0 H ALA A 54 -4.367 -17.521 -6.055 1.00 0.00 H new ATOM 0 HA ALA A 54 -7.272 -17.501 -5.669 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -7.015 -18.303 -3.344 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -6.538 -19.544 -4.527 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -5.291 -18.622 -3.653 1.00 0.00 H new ATOM 797 N ASP A 55 -6.967 -15.237 -4.769 1.00 0.00 N ATOM 798 CA ASP A 55 -6.824 -13.879 -4.258 1.00 0.00 C ATOM 799 C ASP A 55 -6.639 -13.886 -2.744 1.00 0.00 C ATOM 800 O ASP A 55 -7.498 -14.371 -2.006 1.00 0.00 O ATOM 801 CB ASP A 55 -8.046 -13.039 -4.631 1.00 0.00 C ATOM 802 CG ASP A 55 -8.359 -13.099 -6.114 1.00 0.00 C ATOM 803 OD1 ASP A 55 -8.961 -14.101 -6.553 1.00 0.00 O ATOM 804 OD2 ASP A 55 -8.002 -12.144 -6.834 1.00 0.00 O ATOM 0 H ASP A 55 -7.856 -15.420 -5.235 1.00 0.00 H new ATOM 0 HA ASP A 55 -5.937 -13.437 -4.713 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -8.910 -13.389 -4.066 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -7.873 -12.003 -4.341 1.00 0.00 H new ATOM 809 N ILE A 56 -5.514 -13.345 -2.288 1.00 0.00 N ATOM 810 CA ILE A 56 -5.218 -13.289 -0.862 1.00 0.00 C ATOM 811 C ILE A 56 -5.711 -11.982 -0.249 1.00 0.00 C ATOM 812 O ILE A 56 -5.467 -10.893 -0.768 1.00 0.00 O ATOM 813 CB ILE A 56 -3.708 -13.430 -0.595 1.00 0.00 C ATOM 814 CG1 ILE A 56 -3.281 -14.894 -0.718 1.00 0.00 C ATOM 815 CG2 ILE A 56 -3.360 -12.886 0.783 1.00 0.00 C ATOM 816 CD1 ILE A 56 -1.786 -15.100 -0.607 1.00 0.00 C ATOM 0 H ILE A 56 -4.793 -12.940 -2.885 1.00 0.00 H new ATOM 0 HA ILE A 56 -5.741 -14.125 -0.398 1.00 0.00 H new ATOM 0 HB ILE A 56 -3.167 -12.848 -1.341 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -3.778 -15.475 0.059 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -3.623 -15.284 -1.677 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -2.289 -12.993 0.957 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -3.633 -11.832 0.838 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -3.908 -13.443 1.543 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -1.557 -16.161 -0.703 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -1.283 -14.547 -1.400 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -1.440 -14.741 0.362 1.00 0.00 H new ATOM 828 N PRO A 57 -6.420 -12.091 0.885 1.00 0.00 N ATOM 829 CA PRO A 57 -6.960 -10.928 1.595 1.00 0.00 C ATOM 830 C PRO A 57 -5.867 -10.086 2.244 1.00 0.00 C ATOM 831 O PRO A 57 -5.454 -10.351 3.374 1.00 0.00 O ATOM 832 CB PRO A 57 -7.860 -11.552 2.664 1.00 0.00 C ATOM 833 CG PRO A 57 -7.295 -12.912 2.888 1.00 0.00 C ATOM 834 CD PRO A 57 -6.748 -13.357 1.560 1.00 0.00 C ATOM 0 HA PRO A 57 -7.482 -10.247 0.923 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -7.851 -10.964 3.582 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -8.896 -11.604 2.328 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -6.511 -12.889 3.645 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -8.062 -13.599 3.244 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -5.868 -13.989 1.679 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -7.481 -13.935 0.997 1.00 0.00 H new ATOM 842 N LEU A 58 -5.402 -9.071 1.524 1.00 0.00 N ATOM 843 CA LEU A 58 -4.357 -8.189 2.030 1.00 0.00 C ATOM 844 C LEU A 58 -4.949 -6.880 2.542 1.00 0.00 C ATOM 845 O LEU A 58 -5.896 -6.349 1.964 1.00 0.00 O ATOM 846 CB LEU A 58 -3.328 -7.903 0.935 1.00 0.00 C ATOM 847 CG LEU A 58 -1.898 -7.642 1.408 1.00 0.00 C ATOM 848 CD1 LEU A 58 -0.897 -8.096 0.357 1.00 0.00 C ATOM 849 CD2 LEU A 58 -1.704 -6.167 1.731 1.00 0.00 C ATOM 0 H LEU A 58 -5.733 -8.839 0.587 1.00 0.00 H new ATOM 0 HA LEU A 58 -3.863 -8.692 2.861 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -3.313 -8.750 0.248 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -3.665 -7.037 0.366 1.00 0.00 H new ATOM 0 HG LEU A 58 -1.725 -8.218 2.317 1.00 0.00 H new ATOM 0 HD11 LEU A 58 0.115 -7.902 0.711 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.020 -9.164 0.175 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -1.068 -7.548 -0.569 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -0.680 -5.999 2.066 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -1.896 -5.571 0.839 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.397 -5.873 2.520 1.00 0.00 H new ATOM 861 N GLU A 59 -4.382 -6.364 3.628 1.00 0.00 N ATOM 862 CA GLU A 59 -4.854 -5.116 4.216 1.00 0.00 C ATOM 863 C GLU A 59 -3.776 -4.039 4.144 1.00 0.00 C ATOM 864 O GLU A 59 -2.682 -4.201 4.687 1.00 0.00 O ATOM 865 CB GLU A 59 -5.272 -5.338 5.671 1.00 0.00 C ATOM 866 CG GLU A 59 -5.589 -4.052 6.416 1.00 0.00 C ATOM 867 CD GLU A 59 -5.433 -4.194 7.918 1.00 0.00 C ATOM 868 OE1 GLU A 59 -6.021 -5.136 8.488 1.00 0.00 O ATOM 869 OE2 GLU A 59 -4.723 -3.363 8.522 1.00 0.00 O ATOM 0 H GLU A 59 -3.596 -6.791 4.118 1.00 0.00 H new ATOM 0 HA GLU A 59 -5.719 -4.779 3.644 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -6.148 -5.987 5.694 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -4.473 -5.863 6.194 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -4.932 -3.259 6.060 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -6.610 -3.747 6.188 1.00 0.00 H new ATOM 876 N LEU A 60 -4.092 -2.938 3.469 1.00 0.00 N ATOM 877 CA LEU A 60 -3.151 -1.833 3.325 1.00 0.00 C ATOM 878 C LEU A 60 -3.674 -0.578 4.016 1.00 0.00 C ATOM 879 O LEU A 60 -4.824 -0.184 3.823 1.00 0.00 O ATOM 880 CB LEU A 60 -2.896 -1.545 1.844 1.00 0.00 C ATOM 881 CG LEU A 60 -1.742 -2.314 1.199 1.00 0.00 C ATOM 882 CD1 LEU A 60 -1.999 -2.517 -0.286 1.00 0.00 C ATOM 883 CD2 LEU A 60 -0.425 -1.584 1.420 1.00 0.00 C ATOM 0 H LEU A 60 -4.992 -2.788 3.013 1.00 0.00 H new ATOM 0 HA LEU A 60 -2.213 -2.122 3.800 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -3.808 -1.766 1.289 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -2.704 -0.478 1.730 1.00 0.00 H new ATOM 0 HG LEU A 60 -1.675 -3.294 1.672 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.167 -3.066 -0.728 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -2.920 -3.083 -0.422 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -2.094 -1.547 -0.775 1.00 0.00 H new ATOM 0 HD21 LEU A 60 0.385 -2.146 0.954 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -0.480 -0.591 0.975 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.235 -1.492 2.489 1.00 0.00 H new ATOM 895 N VAL A 61 -2.821 0.047 4.821 1.00 0.00 N ATOM 896 CA VAL A 61 -3.196 1.260 5.539 1.00 0.00 C ATOM 897 C VAL A 61 -2.190 2.378 5.291 1.00 0.00 C ATOM 898 O VAL A 61 -1.066 2.339 5.793 1.00 0.00 O ATOM 899 CB VAL A 61 -3.302 1.005 7.054 1.00 0.00 C ATOM 900 CG1 VAL A 61 -3.690 2.282 7.784 1.00 0.00 C ATOM 901 CG2 VAL A 61 -4.300 -0.107 7.339 1.00 0.00 C ATOM 0 H VAL A 61 -1.866 -0.266 4.993 1.00 0.00 H new ATOM 0 HA VAL A 61 -4.172 1.564 5.161 1.00 0.00 H new ATOM 0 HB VAL A 61 -2.326 0.688 7.421 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -3.760 2.083 8.853 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -2.934 3.047 7.606 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -4.654 2.633 7.416 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -4.362 -0.274 8.414 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -5.281 0.178 6.959 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -3.973 -1.024 6.848 1.00 0.00 H new ATOM 911 N PHE A 62 -2.601 3.375 4.514 1.00 0.00 N ATOM 912 CA PHE A 62 -1.736 4.506 4.199 1.00 0.00 C ATOM 913 C PHE A 62 -2.054 5.700 5.094 1.00 0.00 C ATOM 914 O PHE A 62 -3.219 6.001 5.357 1.00 0.00 O ATOM 915 CB PHE A 62 -1.891 4.900 2.729 1.00 0.00 C ATOM 916 CG PHE A 62 -1.359 3.871 1.773 1.00 0.00 C ATOM 917 CD1 PHE A 62 -0.003 3.793 1.502 1.00 0.00 C ATOM 918 CD2 PHE A 62 -2.216 2.980 1.146 1.00 0.00 C ATOM 919 CE1 PHE A 62 0.489 2.847 0.622 1.00 0.00 C ATOM 920 CE2 PHE A 62 -1.730 2.032 0.265 1.00 0.00 C ATOM 921 CZ PHE A 62 -0.376 1.965 0.004 1.00 0.00 C ATOM 0 H PHE A 62 -3.528 3.423 4.091 1.00 0.00 H new ATOM 0 HA PHE A 62 -0.704 4.204 4.380 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -2.946 5.071 2.516 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -1.375 5.845 2.558 1.00 0.00 H new ATOM 0 HD1 PHE A 62 0.678 4.479 1.984 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -3.276 3.027 1.348 1.00 0.00 H new ATOM 0 HE1 PHE A 62 1.548 2.798 0.418 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -2.409 1.345 -0.218 1.00 0.00 H new ATOM 0 HZ PHE A 62 0.006 1.224 -0.682 1.00 0.00 H new ATOM 931 N HIS A 63 -1.009 6.377 5.560 1.00 0.00 N ATOM 932 CA HIS A 63 -1.176 7.540 6.426 1.00 0.00 C ATOM 933 C HIS A 63 -0.571 8.785 5.786 1.00 0.00 C ATOM 934 O HIS A 63 0.564 8.761 5.306 1.00 0.00 O ATOM 935 CB HIS A 63 -0.528 7.285 7.787 1.00 0.00 C ATOM 936 CG HIS A 63 -0.088 8.536 8.484 1.00 0.00 C ATOM 937 ND1 HIS A 63 1.143 8.665 9.091 1.00 0.00 N ATOM 938 CD2 HIS A 63 -0.722 9.717 8.667 1.00 0.00 C ATOM 939 CE1 HIS A 63 1.246 9.872 9.619 1.00 0.00 C ATOM 940 NE2 HIS A 63 0.128 10.531 9.375 1.00 0.00 N ATOM 0 H HIS A 63 -0.039 6.141 5.353 1.00 0.00 H new ATOM 0 HA HIS A 63 -2.244 7.708 6.566 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -1.236 6.754 8.423 1.00 0.00 H new ATOM 0 HB3 HIS A 63 0.334 6.631 7.653 1.00 0.00 H new ATOM 0 HD1 HIS A 63 1.862 7.942 9.127 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -1.713 9.972 8.321 1.00 0.00 H new ATOM 0 HE1 HIS A 63 2.100 10.255 10.159 1.00 0.00 H new ATOM 949 N LEU A 64 -1.334 9.872 5.781 1.00 0.00 N ATOM 950 CA LEU A 64 -0.873 11.128 5.199 1.00 0.00 C ATOM 951 C LEU A 64 -0.530 12.139 6.289 1.00 0.00 C ATOM 952 O LEU A 64 -1.395 12.839 6.816 1.00 0.00 O ATOM 953 CB LEU A 64 -1.943 11.706 4.271 1.00 0.00 C ATOM 954 CG LEU A 64 -2.495 10.753 3.210 1.00 0.00 C ATOM 955 CD1 LEU A 64 -3.492 11.472 2.314 1.00 0.00 C ATOM 956 CD2 LEU A 64 -1.363 10.161 2.383 1.00 0.00 C ATOM 0 H LEU A 64 -2.275 9.909 6.173 1.00 0.00 H new ATOM 0 HA LEU A 64 0.028 10.923 4.621 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -2.774 12.058 4.882 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -1.526 12.578 3.767 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.013 9.938 3.716 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -3.874 10.778 1.565 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -4.319 11.847 2.917 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.998 12.307 1.817 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -1.775 9.485 1.633 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -0.816 10.963 1.887 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -0.686 9.610 3.035 1.00 0.00 H new ATOM 968 N PRO A 65 0.764 12.222 6.633 1.00 0.00 N ATOM 969 CA PRO A 65 1.252 13.147 7.661 1.00 0.00 C ATOM 970 C PRO A 65 1.177 14.602 7.213 1.00 0.00 C ATOM 971 O PRO A 65 0.502 14.928 6.236 1.00 0.00 O ATOM 972 CB PRO A 65 2.709 12.722 7.857 1.00 0.00 C ATOM 973 CG PRO A 65 3.095 12.082 6.568 1.00 0.00 C ATOM 974 CD PRO A 65 1.850 11.419 6.046 1.00 0.00 C ATOM 0 HA PRO A 65 0.654 13.099 8.571 1.00 0.00 H new ATOM 0 HB2 PRO A 65 3.345 13.579 8.079 1.00 0.00 H new ATOM 0 HB3 PRO A 65 2.810 12.026 8.690 1.00 0.00 H new ATOM 0 HG2 PRO A 65 3.468 12.823 5.861 1.00 0.00 H new ATOM 0 HG3 PRO A 65 3.892 11.353 6.717 1.00 0.00 H new ATOM 0 HD2 PRO A 65 1.815 11.431 4.957 1.00 0.00 H new ATOM 0 HD3 PRO A 65 1.791 10.376 6.355 1.00 0.00 H new ATOM 982 N VAL A 66 1.876 15.475 7.932 1.00 0.00 N ATOM 983 CA VAL A 66 1.890 16.896 7.608 1.00 0.00 C ATOM 984 C VAL A 66 3.091 17.249 6.738 1.00 0.00 C ATOM 985 O VAL A 66 3.152 18.332 6.157 1.00 0.00 O ATOM 986 CB VAL A 66 1.920 17.762 8.881 1.00 0.00 C ATOM 987 CG1 VAL A 66 0.608 17.642 9.641 1.00 0.00 C ATOM 988 CG2 VAL A 66 3.095 17.369 9.765 1.00 0.00 C ATOM 0 H VAL A 66 2.440 15.222 8.743 1.00 0.00 H new ATOM 0 HA VAL A 66 0.972 17.104 7.058 1.00 0.00 H new ATOM 0 HB VAL A 66 2.048 18.804 8.587 1.00 0.00 H new ATOM 0 HG11 VAL A 66 0.649 18.261 10.537 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -0.212 17.976 9.006 1.00 0.00 H new ATOM 0 HG13 VAL A 66 0.446 16.602 9.925 1.00 0.00 H new ATOM 0 HG21 VAL A 66 3.101 17.991 10.660 1.00 0.00 H new ATOM 0 HG22 VAL A 66 3.000 16.322 10.052 1.00 0.00 H new ATOM 0 HG23 VAL A 66 4.026 17.513 9.217 1.00 0.00 H new ATOM 998 N ASN A 67 4.044 16.327 6.651 1.00 0.00 N ATOM 999 CA ASN A 67 5.244 16.541 5.851 1.00 0.00 C ATOM 1000 C ASN A 67 5.000 16.165 4.393 1.00 0.00 C ATOM 1001 O ASN A 67 5.410 16.881 3.479 1.00 0.00 O ATOM 1002 CB ASN A 67 6.409 15.723 6.412 1.00 0.00 C ATOM 1003 CG ASN A 67 6.918 16.271 7.731 1.00 0.00 C ATOM 1004 OD1 ASN A 67 6.959 17.484 7.937 1.00 0.00 O ATOM 1005 ND2 ASN A 67 7.309 15.377 8.632 1.00 0.00 N ATOM 0 H ASN A 67 4.008 15.424 7.125 1.00 0.00 H new ATOM 0 HA ASN A 67 5.497 17.600 5.897 1.00 0.00 H new ATOM 0 HB2 ASN A 67 6.091 14.690 6.550 1.00 0.00 H new ATOM 0 HB3 ASN A 67 7.224 15.712 5.688 1.00 0.00 H new ATOM 0 HD21 ASN A 67 7.661 15.686 9.538 1.00 0.00 H new ATOM 0 HD22 ASN A 67 7.257 14.381 8.418 1.00 0.00 H new ATOM 1012 N TYR A 68 4.329 15.037 4.183 1.00 0.00 N ATOM 1013 CA TYR A 68 4.032 14.565 2.836 1.00 0.00 C ATOM 1014 C TYR A 68 3.526 15.705 1.958 1.00 0.00 C ATOM 1015 O TYR A 68 2.903 16.657 2.429 1.00 0.00 O ATOM 1016 CB TYR A 68 2.993 13.443 2.885 1.00 0.00 C ATOM 1017 CG TYR A 68 2.105 13.387 1.662 1.00 0.00 C ATOM 1018 CD1 TYR A 68 1.223 14.420 1.372 1.00 0.00 C ATOM 1019 CD2 TYR A 68 2.149 12.301 0.797 1.00 0.00 C ATOM 1020 CE1 TYR A 68 0.409 14.373 0.256 1.00 0.00 C ATOM 1021 CE2 TYR A 68 1.340 12.246 -0.322 1.00 0.00 C ATOM 1022 CZ TYR A 68 0.472 13.284 -0.588 1.00 0.00 C ATOM 1023 OH TYR A 68 -0.336 13.233 -1.701 1.00 0.00 O ATOM 0 H TYR A 68 3.981 14.433 4.928 1.00 0.00 H new ATOM 0 HA TYR A 68 4.954 14.179 2.401 1.00 0.00 H new ATOM 0 HB2 TYR A 68 3.507 12.488 2.995 1.00 0.00 H new ATOM 0 HB3 TYR A 68 2.371 13.574 3.770 1.00 0.00 H new ATOM 0 HD1 TYR A 68 1.172 15.275 2.030 1.00 0.00 H new ATOM 0 HD2 TYR A 68 2.827 11.486 1.002 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -0.272 15.184 0.046 1.00 0.00 H new ATOM 0 HE2 TYR A 68 1.387 11.395 -0.985 1.00 0.00 H new ATOM 0 HH TYR A 68 -0.168 12.400 -2.189 1.00 0.00 H new ATOM 1033 N PRO A 69 3.798 15.607 0.648 1.00 0.00 N ATOM 1034 CA PRO A 69 4.539 14.479 0.076 1.00 0.00 C ATOM 1035 C PRO A 69 6.009 14.486 0.481 1.00 0.00 C ATOM 1036 O PRO A 69 6.779 13.617 0.072 1.00 0.00 O ATOM 1037 CB PRO A 69 4.400 14.693 -1.434 1.00 0.00 C ATOM 1038 CG PRO A 69 4.177 16.157 -1.590 1.00 0.00 C ATOM 1039 CD PRO A 69 3.404 16.591 -0.375 1.00 0.00 C ATOM 0 HA PRO A 69 4.153 13.520 0.422 1.00 0.00 H new ATOM 0 HB2 PRO A 69 5.296 14.370 -1.964 1.00 0.00 H new ATOM 0 HB3 PRO A 69 3.566 14.120 -1.840 1.00 0.00 H new ATOM 0 HG2 PRO A 69 5.125 16.691 -1.660 1.00 0.00 H new ATOM 0 HG3 PRO A 69 3.622 16.372 -2.503 1.00 0.00 H new ATOM 0 HD2 PRO A 69 3.662 17.607 -0.076 1.00 0.00 H new ATOM 0 HD3 PRO A 69 2.329 16.575 -0.555 1.00 0.00 H new ATOM 1047 N SER A 70 6.391 15.470 1.288 1.00 0.00 N ATOM 1048 CA SER A 70 7.770 15.591 1.746 1.00 0.00 C ATOM 1049 C SER A 70 8.053 14.614 2.884 1.00 0.00 C ATOM 1050 O SER A 70 8.668 14.974 3.888 1.00 0.00 O ATOM 1051 CB SER A 70 8.053 17.022 2.207 1.00 0.00 C ATOM 1052 OG SER A 70 9.440 17.310 2.156 1.00 0.00 O ATOM 0 H SER A 70 5.765 16.195 1.638 1.00 0.00 H new ATOM 0 HA SER A 70 8.426 15.349 0.910 1.00 0.00 H new ATOM 0 HB2 SER A 70 7.509 17.725 1.576 1.00 0.00 H new ATOM 0 HB3 SER A 70 7.687 17.158 3.225 1.00 0.00 H new ATOM 0 HG SER A 70 9.594 18.231 2.454 1.00 0.00 H new ATOM 1058 N CYS A 71 7.599 13.377 2.718 1.00 0.00 N ATOM 1059 CA CYS A 71 7.801 12.346 3.730 1.00 0.00 C ATOM 1060 C CYS A 71 7.287 10.996 3.242 1.00 0.00 C ATOM 1061 O CYS A 71 6.634 10.907 2.201 1.00 0.00 O ATOM 1062 CB CYS A 71 7.096 12.734 5.031 1.00 0.00 C ATOM 1063 SG CYS A 71 7.736 11.891 6.497 1.00 0.00 S ATOM 0 H CYS A 71 7.089 13.063 1.892 1.00 0.00 H new ATOM 0 HA CYS A 71 8.871 12.260 3.917 1.00 0.00 H new ATOM 0 HB2 CYS A 71 7.188 13.811 5.175 1.00 0.00 H new ATOM 0 HB3 CYS A 71 6.032 12.515 4.935 1.00 0.00 H new ATOM 0 HG CYS A 71 8.840 11.275 6.196 1.00 0.00 H new ATOM 1069 N LEU A 72 7.587 9.946 3.999 1.00 0.00 N ATOM 1070 CA LEU A 72 7.156 8.598 3.643 1.00 0.00 C ATOM 1071 C LEU A 72 5.838 8.249 4.328 1.00 0.00 C ATOM 1072 O LEU A 72 5.669 8.433 5.533 1.00 0.00 O ATOM 1073 CB LEU A 72 8.230 7.580 4.028 1.00 0.00 C ATOM 1074 CG LEU A 72 9.492 7.576 3.165 1.00 0.00 C ATOM 1075 CD1 LEU A 72 10.616 6.828 3.865 1.00 0.00 C ATOM 1076 CD2 LEU A 72 9.205 6.959 1.804 1.00 0.00 C ATOM 0 H LEU A 72 8.127 10.002 4.863 1.00 0.00 H new ATOM 0 HA LEU A 72 7.003 8.565 2.564 1.00 0.00 H new ATOM 0 HB2 LEU A 72 8.522 7.763 5.062 1.00 0.00 H new ATOM 0 HB3 LEU A 72 7.787 6.584 3.994 1.00 0.00 H new ATOM 0 HG LEU A 72 9.809 8.608 3.015 1.00 0.00 H new ATOM 0 HD11 LEU A 72 11.506 6.836 3.235 1.00 0.00 H new ATOM 0 HD12 LEU A 72 10.840 7.313 4.815 1.00 0.00 H new ATOM 0 HD13 LEU A 72 10.309 5.798 4.047 1.00 0.00 H new ATOM 0 HD21 LEU A 72 10.114 6.964 1.203 1.00 0.00 H new ATOM 0 HD22 LEU A 72 8.863 5.932 1.935 1.00 0.00 H new ATOM 0 HD23 LEU A 72 8.432 7.538 1.298 1.00 0.00 H new ATOM 1088 N PRO A 73 4.882 7.731 3.543 1.00 0.00 N ATOM 1089 CA PRO A 73 3.564 7.342 4.052 1.00 0.00 C ATOM 1090 C PRO A 73 3.630 6.112 4.951 1.00 0.00 C ATOM 1091 O PRO A 73 4.412 5.194 4.707 1.00 0.00 O ATOM 1092 CB PRO A 73 2.769 7.034 2.781 1.00 0.00 C ATOM 1093 CG PRO A 73 3.799 6.662 1.771 1.00 0.00 C ATOM 1094 CD PRO A 73 5.015 7.484 2.097 1.00 0.00 C ATOM 0 HA PRO A 73 3.119 8.122 4.670 1.00 0.00 H new ATOM 0 HB2 PRO A 73 2.062 6.220 2.944 1.00 0.00 H new ATOM 0 HB3 PRO A 73 2.191 7.899 2.456 1.00 0.00 H new ATOM 0 HG2 PRO A 73 4.024 5.597 1.818 1.00 0.00 H new ATOM 0 HG3 PRO A 73 3.447 6.869 0.760 1.00 0.00 H new ATOM 0 HD2 PRO A 73 5.936 6.949 1.864 1.00 0.00 H new ATOM 0 HD3 PRO A 73 5.035 8.415 1.530 1.00 0.00 H new ATOM 1102 N GLY A 74 2.802 6.100 5.992 1.00 0.00 N ATOM 1103 CA GLY A 74 2.783 4.977 6.911 1.00 0.00 C ATOM 1104 C GLY A 74 2.084 3.764 6.329 1.00 0.00 C ATOM 1105 O GLY A 74 0.866 3.627 6.443 1.00 0.00 O ATOM 0 H GLY A 74 2.145 6.848 6.215 1.00 0.00 H new ATOM 0 HA2 GLY A 74 3.806 4.711 7.176 1.00 0.00 H new ATOM 0 HA3 GLY A 74 2.282 5.274 7.833 1.00 0.00 H new ATOM 1109 N ILE A 75 2.856 2.882 5.703 1.00 0.00 N ATOM 1110 CA ILE A 75 2.303 1.675 5.101 1.00 0.00 C ATOM 1111 C ILE A 75 2.274 0.525 6.102 1.00 0.00 C ATOM 1112 O ILE A 75 3.220 0.328 6.864 1.00 0.00 O ATOM 1113 CB ILE A 75 3.111 1.242 3.863 1.00 0.00 C ATOM 1114 CG1 ILE A 75 2.984 2.288 2.753 1.00 0.00 C ATOM 1115 CG2 ILE A 75 2.640 -0.118 3.372 1.00 0.00 C ATOM 1116 CD1 ILE A 75 3.989 2.109 1.637 1.00 0.00 C ATOM 0 H ILE A 75 3.866 2.981 5.600 1.00 0.00 H new ATOM 0 HA ILE A 75 1.284 1.914 4.795 1.00 0.00 H new ATOM 0 HB ILE A 75 4.161 1.162 4.143 1.00 0.00 H new ATOM 0 HG12 ILE A 75 1.978 2.243 2.336 1.00 0.00 H new ATOM 0 HG13 ILE A 75 3.106 3.281 3.185 1.00 0.00 H new ATOM 0 HG21 ILE A 75 3.221 -0.410 2.497 1.00 0.00 H new ATOM 0 HG22 ILE A 75 2.777 -0.857 4.161 1.00 0.00 H new ATOM 0 HG23 ILE A 75 1.585 -0.063 3.105 1.00 0.00 H new ATOM 0 HD11 ILE A 75 3.841 2.885 0.886 1.00 0.00 H new ATOM 0 HD12 ILE A 75 4.999 2.184 2.041 1.00 0.00 H new ATOM 0 HD13 ILE A 75 3.853 1.129 1.179 1.00 0.00 H new ATOM 1128 N SER A 76 1.181 -0.232 6.093 1.00 0.00 N ATOM 1129 CA SER A 76 1.027 -1.362 7.002 1.00 0.00 C ATOM 1130 C SER A 76 0.586 -2.611 6.245 1.00 0.00 C ATOM 1131 O SER A 76 -0.549 -2.698 5.775 1.00 0.00 O ATOM 1132 CB SER A 76 0.010 -1.029 8.095 1.00 0.00 C ATOM 1133 OG SER A 76 0.469 0.034 8.912 1.00 0.00 O ATOM 0 H SER A 76 0.390 -0.083 5.467 1.00 0.00 H new ATOM 0 HA SER A 76 1.994 -1.560 7.464 1.00 0.00 H new ATOM 0 HB2 SER A 76 -0.942 -0.757 7.639 1.00 0.00 H new ATOM 0 HB3 SER A 76 -0.171 -1.911 8.709 1.00 0.00 H new ATOM 0 HG SER A 76 -0.200 0.229 9.602 1.00 0.00 H new ATOM 1139 N ILE A 77 1.492 -3.577 6.132 1.00 0.00 N ATOM 1140 CA ILE A 77 1.197 -4.822 5.434 1.00 0.00 C ATOM 1141 C ILE A 77 0.767 -5.911 6.410 1.00 0.00 C ATOM 1142 O ILE A 77 1.488 -6.231 7.355 1.00 0.00 O ATOM 1143 CB ILE A 77 2.414 -5.319 4.631 1.00 0.00 C ATOM 1144 CG1 ILE A 77 2.920 -4.218 3.696 1.00 0.00 C ATOM 1145 CG2 ILE A 77 2.053 -6.567 3.840 1.00 0.00 C ATOM 1146 CD1 ILE A 77 1.951 -3.874 2.587 1.00 0.00 C ATOM 0 H ILE A 77 2.436 -3.521 6.515 1.00 0.00 H new ATOM 0 HA ILE A 77 0.379 -4.611 4.745 1.00 0.00 H new ATOM 0 HB ILE A 77 3.212 -5.573 5.329 1.00 0.00 H new ATOM 0 HG12 ILE A 77 3.123 -3.321 4.281 1.00 0.00 H new ATOM 0 HG13 ILE A 77 3.866 -4.533 3.256 1.00 0.00 H new ATOM 0 HG21 ILE A 77 2.923 -6.906 3.278 1.00 0.00 H new ATOM 0 HG22 ILE A 77 1.735 -7.353 4.525 1.00 0.00 H new ATOM 0 HG23 ILE A 77 1.242 -6.338 3.149 1.00 0.00 H new ATOM 0 HD11 ILE A 77 2.376 -3.087 1.964 1.00 0.00 H new ATOM 0 HD12 ILE A 77 1.766 -4.759 1.978 1.00 0.00 H new ATOM 0 HD13 ILE A 77 1.012 -3.528 3.019 1.00 0.00 H new ATOM 1158 N ASN A 78 -0.411 -6.479 6.174 1.00 0.00 N ATOM 1159 CA ASN A 78 -0.937 -7.535 7.032 1.00 0.00 C ATOM 1160 C ASN A 78 -1.931 -8.408 6.273 1.00 0.00 C ATOM 1161 O ASN A 78 -2.954 -7.924 5.788 1.00 0.00 O ATOM 1162 CB ASN A 78 -1.610 -6.929 8.266 1.00 0.00 C ATOM 1163 CG ASN A 78 -0.729 -5.912 8.965 1.00 0.00 C ATOM 1164 OD1 ASN A 78 0.161 -6.271 9.736 1.00 0.00 O ATOM 1165 ND2 ASN A 78 -0.973 -4.635 8.698 1.00 0.00 N ATOM 0 H ASN A 78 -1.020 -6.226 5.396 1.00 0.00 H new ATOM 0 HA ASN A 78 -0.103 -8.160 7.351 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -2.545 -6.453 7.970 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -1.866 -7.725 8.965 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -0.412 -3.906 9.139 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -1.721 -4.383 8.052 1.00 0.00 H new ATOM 1172 N SER A 79 -1.623 -9.697 6.176 1.00 0.00 N ATOM 1173 CA SER A 79 -2.488 -10.639 5.473 1.00 0.00 C ATOM 1174 C SER A 79 -2.844 -11.822 6.369 1.00 0.00 C ATOM 1175 O SER A 79 -1.963 -12.501 6.895 1.00 0.00 O ATOM 1176 CB SER A 79 -1.805 -11.137 4.198 1.00 0.00 C ATOM 1177 OG SER A 79 -2.283 -12.419 3.831 1.00 0.00 O ATOM 0 H SER A 79 -0.782 -10.114 6.575 1.00 0.00 H new ATOM 0 HA SER A 79 -3.408 -10.119 5.204 1.00 0.00 H new ATOM 0 HB2 SER A 79 -1.985 -10.432 3.386 1.00 0.00 H new ATOM 0 HB3 SER A 79 -0.727 -11.178 4.351 1.00 0.00 H new ATOM 0 HG SER A 79 -1.725 -12.782 3.112 1.00 0.00 H new ATOM 1183 N GLU A 80 -4.141 -12.060 6.536 1.00 0.00 N ATOM 1184 CA GLU A 80 -4.613 -13.161 7.368 1.00 0.00 C ATOM 1185 C GLU A 80 -3.792 -14.423 7.119 1.00 0.00 C ATOM 1186 O GLU A 80 -3.710 -15.300 7.978 1.00 0.00 O ATOM 1187 CB GLU A 80 -6.092 -13.439 7.092 1.00 0.00 C ATOM 1188 CG GLU A 80 -6.732 -14.382 8.097 1.00 0.00 C ATOM 1189 CD GLU A 80 -6.251 -15.812 7.944 1.00 0.00 C ATOM 1190 OE1 GLU A 80 -6.215 -16.306 6.798 1.00 0.00 O ATOM 1191 OE2 GLU A 80 -5.911 -16.436 8.971 1.00 0.00 O ATOM 0 H GLU A 80 -4.883 -11.506 6.107 1.00 0.00 H new ATOM 0 HA GLU A 80 -4.493 -12.871 8.412 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -6.637 -12.495 7.094 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -6.193 -13.863 6.093 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -6.512 -14.035 9.107 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -7.815 -14.352 7.979 1.00 0.00 H new ATOM 1198 N GLN A 81 -3.187 -14.505 5.939 1.00 0.00 N ATOM 1199 CA GLN A 81 -2.373 -15.659 5.576 1.00 0.00 C ATOM 1200 C GLN A 81 -0.930 -15.472 6.032 1.00 0.00 C ATOM 1201 O GLN A 81 -0.393 -16.289 6.781 1.00 0.00 O ATOM 1202 CB GLN A 81 -2.418 -15.887 4.065 1.00 0.00 C ATOM 1203 CG GLN A 81 -3.726 -16.493 3.579 1.00 0.00 C ATOM 1204 CD GLN A 81 -3.724 -18.007 3.637 1.00 0.00 C ATOM 1205 OE1 GLN A 81 -4.225 -18.604 4.591 1.00 0.00 O ATOM 1206 NE2 GLN A 81 -3.161 -18.639 2.614 1.00 0.00 N ATOM 0 H GLN A 81 -3.245 -13.786 5.218 1.00 0.00 H new ATOM 0 HA GLN A 81 -2.783 -16.534 6.080 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -2.257 -14.936 3.558 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -1.595 -16.543 3.780 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -4.547 -16.111 4.186 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -3.912 -16.173 2.554 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -2.758 -18.105 1.844 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -3.132 -19.658 2.598 1.00 0.00 H new ATOM 1215 N LEU A 82 -0.306 -14.392 5.574 1.00 0.00 N ATOM 1216 CA LEU A 82 1.077 -14.097 5.934 1.00 0.00 C ATOM 1217 C LEU A 82 1.237 -14.005 7.448 1.00 0.00 C ATOM 1218 O LEU A 82 0.260 -14.081 8.194 1.00 0.00 O ATOM 1219 CB LEU A 82 1.527 -12.790 5.281 1.00 0.00 C ATOM 1220 CG LEU A 82 1.709 -12.825 3.763 1.00 0.00 C ATOM 1221 CD1 LEU A 82 1.712 -11.415 3.193 1.00 0.00 C ATOM 1222 CD2 LEU A 82 2.993 -13.554 3.397 1.00 0.00 C ATOM 0 H LEU A 82 -0.735 -13.706 4.953 1.00 0.00 H new ATOM 0 HA LEU A 82 1.703 -14.911 5.570 1.00 0.00 H new ATOM 0 HB2 LEU A 82 0.797 -12.017 5.521 1.00 0.00 H new ATOM 0 HB3 LEU A 82 2.472 -12.488 5.733 1.00 0.00 H new ATOM 0 HG LEU A 82 0.870 -13.368 3.328 1.00 0.00 H new ATOM 0 HD11 LEU A 82 1.843 -11.460 2.112 1.00 0.00 H new ATOM 0 HD12 LEU A 82 0.765 -10.927 3.424 1.00 0.00 H new ATOM 0 HD13 LEU A 82 2.530 -10.846 3.634 1.00 0.00 H new ATOM 0 HD21 LEU A 82 3.106 -13.569 2.313 1.00 0.00 H new ATOM 0 HD22 LEU A 82 3.844 -13.039 3.844 1.00 0.00 H new ATOM 0 HD23 LEU A 82 2.950 -14.577 3.772 1.00 0.00 H new ATOM 1234 N THR A 83 2.477 -13.837 7.898 1.00 0.00 N ATOM 1235 CA THR A 83 2.766 -13.733 9.322 1.00 0.00 C ATOM 1236 C THR A 83 3.371 -12.375 9.663 1.00 0.00 C ATOM 1237 O THR A 83 3.586 -11.543 8.782 1.00 0.00 O ATOM 1238 CB THR A 83 3.732 -14.842 9.783 1.00 0.00 C ATOM 1239 OG1 THR A 83 5.017 -14.653 9.181 1.00 0.00 O ATOM 1240 CG2 THR A 83 3.192 -16.216 9.416 1.00 0.00 C ATOM 0 H THR A 83 3.297 -13.770 7.296 1.00 0.00 H new ATOM 0 HA THR A 83 1.817 -13.847 9.845 1.00 0.00 H new ATOM 0 HB THR A 83 3.827 -14.784 10.867 1.00 0.00 H new ATOM 0 HG1 THR A 83 5.626 -15.360 9.480 1.00 0.00 H new ATOM 0 HG21 THR A 83 3.890 -16.983 9.751 1.00 0.00 H new ATOM 0 HG22 THR A 83 2.227 -16.368 9.899 1.00 0.00 H new ATOM 0 HG23 THR A 83 3.071 -16.283 8.335 1.00 0.00 H new ATOM 1248 N ARG A 84 3.643 -12.159 10.945 1.00 0.00 N ATOM 1249 CA ARG A 84 4.223 -10.901 11.401 1.00 0.00 C ATOM 1250 C ARG A 84 5.571 -10.649 10.732 1.00 0.00 C ATOM 1251 O ARG A 84 5.752 -9.652 10.035 1.00 0.00 O ATOM 1252 CB ARG A 84 4.390 -10.914 12.922 1.00 0.00 C ATOM 1253 CG ARG A 84 4.581 -9.532 13.525 1.00 0.00 C ATOM 1254 CD ARG A 84 4.047 -9.467 14.948 1.00 0.00 C ATOM 1255 NE ARG A 84 2.607 -9.225 14.981 1.00 0.00 N ATOM 1256 CZ ARG A 84 1.912 -9.083 16.104 1.00 0.00 C ATOM 1257 NH1 ARG A 84 2.521 -9.157 17.279 1.00 0.00 N ATOM 1258 NH2 ARG A 84 0.604 -8.865 16.053 1.00 0.00 N ATOM 0 H ARG A 84 3.471 -12.838 11.687 1.00 0.00 H new ATOM 0 HA ARG A 84 3.544 -10.095 11.124 1.00 0.00 H new ATOM 0 HB2 ARG A 84 3.513 -11.379 13.371 1.00 0.00 H new ATOM 0 HB3 ARG A 84 5.248 -11.535 13.180 1.00 0.00 H new ATOM 0 HG2 ARG A 84 5.640 -9.275 13.520 1.00 0.00 H new ATOM 0 HG3 ARG A 84 4.071 -8.791 12.909 1.00 0.00 H new ATOM 0 HD2 ARG A 84 4.269 -10.402 15.462 1.00 0.00 H new ATOM 0 HD3 ARG A 84 4.561 -8.674 15.492 1.00 0.00 H new ATOM 0 HE ARG A 84 2.108 -9.162 14.094 1.00 0.00 H new ATOM 0 HH11 ARG A 84 3.526 -9.323 17.323 1.00 0.00 H new ATOM 0 HH12 ARG A 84 1.984 -9.047 18.139 1.00 0.00 H new ATOM 0 HH21 ARG A 84 0.132 -8.806 15.151 1.00 0.00 H new ATOM 0 HH22 ARG A 84 0.071 -8.756 16.916 1.00 0.00 H new ATOM 1272 N ALA A 85 6.513 -11.560 10.951 1.00 0.00 N ATOM 1273 CA ALA A 85 7.844 -11.438 10.368 1.00 0.00 C ATOM 1274 C ALA A 85 7.766 -11.250 8.857 1.00 0.00 C ATOM 1275 O ALA A 85 8.283 -10.273 8.317 1.00 0.00 O ATOM 1276 CB ALA A 85 8.683 -12.661 10.708 1.00 0.00 C ATOM 0 H ALA A 85 6.380 -12.391 11.528 1.00 0.00 H new ATOM 0 HA ALA A 85 8.321 -10.555 10.793 1.00 0.00 H new ATOM 0 HB1 ALA A 85 9.674 -12.557 10.266 1.00 0.00 H new ATOM 0 HB2 ALA A 85 8.775 -12.749 11.790 1.00 0.00 H new ATOM 0 HB3 ALA A 85 8.201 -13.555 10.311 1.00 0.00 H new ATOM 1282 N GLN A 86 7.118 -12.194 8.181 1.00 0.00 N ATOM 1283 CA GLN A 86 6.975 -12.131 6.731 1.00 0.00 C ATOM 1284 C GLN A 86 6.494 -10.753 6.290 1.00 0.00 C ATOM 1285 O GLN A 86 7.109 -10.114 5.435 1.00 0.00 O ATOM 1286 CB GLN A 86 5.999 -13.205 6.247 1.00 0.00 C ATOM 1287 CG GLN A 86 6.448 -14.622 6.561 1.00 0.00 C ATOM 1288 CD GLN A 86 7.454 -15.151 5.558 1.00 0.00 C ATOM 1289 OE1 GLN A 86 8.533 -14.582 5.384 1.00 0.00 O ATOM 1290 NE2 GLN A 86 7.107 -16.246 4.891 1.00 0.00 N ATOM 0 H GLN A 86 6.685 -13.010 8.613 1.00 0.00 H new ATOM 0 HA GLN A 86 7.954 -12.312 6.286 1.00 0.00 H new ATOM 0 HB2 GLN A 86 5.025 -13.032 6.705 1.00 0.00 H new ATOM 0 HB3 GLN A 86 5.867 -13.105 5.170 1.00 0.00 H new ATOM 0 HG2 GLN A 86 6.887 -14.647 7.558 1.00 0.00 H new ATOM 0 HG3 GLN A 86 5.578 -15.279 6.579 1.00 0.00 H new ATOM 0 HE21 GLN A 86 6.203 -16.685 5.066 1.00 0.00 H new ATOM 0 HE22 GLN A 86 7.744 -16.648 4.203 1.00 0.00 H new ATOM 1299 N CYS A 87 5.392 -10.301 6.878 1.00 0.00 N ATOM 1300 CA CYS A 87 4.828 -8.998 6.545 1.00 0.00 C ATOM 1301 C CYS A 87 5.887 -7.905 6.642 1.00 0.00 C ATOM 1302 O CYS A 87 6.173 -7.213 5.665 1.00 0.00 O ATOM 1303 CB CYS A 87 3.656 -8.674 7.473 1.00 0.00 C ATOM 1304 SG CYS A 87 2.116 -9.515 7.038 1.00 0.00 S ATOM 0 H CYS A 87 4.872 -10.817 7.587 1.00 0.00 H new ATOM 0 HA CYS A 87 4.468 -9.038 5.517 1.00 0.00 H new ATOM 0 HB2 CYS A 87 3.929 -8.944 8.493 1.00 0.00 H new ATOM 0 HB3 CYS A 87 3.485 -7.598 7.463 1.00 0.00 H new ATOM 0 HG CYS A 87 2.117 -10.712 7.545 1.00 0.00 H new ATOM 1310 N VAL A 88 6.466 -7.754 7.829 1.00 0.00 N ATOM 1311 CA VAL A 88 7.494 -6.745 8.056 1.00 0.00 C ATOM 1312 C VAL A 88 8.404 -6.605 6.841 1.00 0.00 C ATOM 1313 O VAL A 88 8.729 -5.495 6.418 1.00 0.00 O ATOM 1314 CB VAL A 88 8.351 -7.084 9.290 1.00 0.00 C ATOM 1315 CG1 VAL A 88 9.489 -6.085 9.440 1.00 0.00 C ATOM 1316 CG2 VAL A 88 7.490 -7.116 10.544 1.00 0.00 C ATOM 0 H VAL A 88 6.241 -8.318 8.649 1.00 0.00 H new ATOM 0 HA VAL A 88 6.978 -5.801 8.230 1.00 0.00 H new ATOM 0 HB VAL A 88 8.784 -8.074 9.149 1.00 0.00 H new ATOM 0 HG11 VAL A 88 10.084 -6.340 10.317 1.00 0.00 H new ATOM 0 HG12 VAL A 88 10.120 -6.116 8.552 1.00 0.00 H new ATOM 0 HG13 VAL A 88 9.079 -5.082 9.559 1.00 0.00 H new ATOM 0 HG21 VAL A 88 8.112 -7.357 11.406 1.00 0.00 H new ATOM 0 HG22 VAL A 88 7.027 -6.141 10.692 1.00 0.00 H new ATOM 0 HG23 VAL A 88 6.714 -7.873 10.433 1.00 0.00 H new ATOM 1326 N THR A 89 8.813 -7.739 6.282 1.00 0.00 N ATOM 1327 CA THR A 89 9.687 -7.744 5.115 1.00 0.00 C ATOM 1328 C THR A 89 9.051 -6.997 3.948 1.00 0.00 C ATOM 1329 O THR A 89 9.674 -6.126 3.342 1.00 0.00 O ATOM 1330 CB THR A 89 10.021 -9.181 4.670 1.00 0.00 C ATOM 1331 OG1 THR A 89 10.700 -9.875 5.722 1.00 0.00 O ATOM 1332 CG2 THR A 89 10.888 -9.172 3.420 1.00 0.00 C ATOM 0 H THR A 89 8.553 -8.666 6.618 1.00 0.00 H new ATOM 0 HA THR A 89 10.608 -7.239 5.407 1.00 0.00 H new ATOM 0 HB THR A 89 9.086 -9.693 4.442 1.00 0.00 H new ATOM 0 HG1 THR A 89 10.907 -10.788 5.431 1.00 0.00 H new ATOM 0 HG21 THR A 89 11.111 -10.197 3.125 1.00 0.00 H new ATOM 0 HG22 THR A 89 10.356 -8.669 2.612 1.00 0.00 H new ATOM 0 HG23 THR A 89 11.819 -8.643 3.626 1.00 0.00 H new ATOM 1340 N VAL A 90 7.805 -7.343 3.639 1.00 0.00 N ATOM 1341 CA VAL A 90 7.083 -6.704 2.546 1.00 0.00 C ATOM 1342 C VAL A 90 6.924 -5.208 2.793 1.00 0.00 C ATOM 1343 O VAL A 90 7.320 -4.385 1.967 1.00 0.00 O ATOM 1344 CB VAL A 90 5.691 -7.332 2.349 1.00 0.00 C ATOM 1345 CG1 VAL A 90 4.994 -6.719 1.144 1.00 0.00 C ATOM 1346 CG2 VAL A 90 5.804 -8.842 2.199 1.00 0.00 C ATOM 0 H VAL A 90 7.275 -8.063 4.131 1.00 0.00 H new ATOM 0 HA VAL A 90 7.674 -6.859 1.643 1.00 0.00 H new ATOM 0 HB VAL A 90 5.089 -7.122 3.233 1.00 0.00 H new ATOM 0 HG11 VAL A 90 4.012 -7.175 1.021 1.00 0.00 H new ATOM 0 HG12 VAL A 90 4.879 -5.646 1.297 1.00 0.00 H new ATOM 0 HG13 VAL A 90 5.591 -6.896 0.249 1.00 0.00 H new ATOM 0 HG21 VAL A 90 4.811 -9.269 2.061 1.00 0.00 H new ATOM 0 HG22 VAL A 90 6.424 -9.076 1.333 1.00 0.00 H new ATOM 0 HG23 VAL A 90 6.259 -9.264 3.095 1.00 0.00 H new ATOM 1356 N LYS A 91 6.341 -4.862 3.936 1.00 0.00 N ATOM 1357 CA LYS A 91 6.130 -3.465 4.295 1.00 0.00 C ATOM 1358 C LYS A 91 7.409 -2.655 4.109 1.00 0.00 C ATOM 1359 O LYS A 91 7.406 -1.617 3.449 1.00 0.00 O ATOM 1360 CB LYS A 91 5.651 -3.356 5.744 1.00 0.00 C ATOM 1361 CG LYS A 91 5.616 -1.931 6.268 1.00 0.00 C ATOM 1362 CD LYS A 91 6.930 -1.546 6.926 1.00 0.00 C ATOM 1363 CE LYS A 91 6.903 -0.110 7.427 1.00 0.00 C ATOM 1364 NZ LYS A 91 8.110 0.218 8.235 1.00 0.00 N ATOM 0 H LYS A 91 6.006 -5.531 4.630 1.00 0.00 H new ATOM 0 HA LYS A 91 5.365 -3.058 3.634 1.00 0.00 H new ATOM 0 HB2 LYS A 91 4.653 -3.787 5.821 1.00 0.00 H new ATOM 0 HB3 LYS A 91 6.306 -3.952 6.380 1.00 0.00 H new ATOM 0 HG2 LYS A 91 5.405 -1.246 5.447 1.00 0.00 H new ATOM 0 HG3 LYS A 91 4.804 -1.827 6.987 1.00 0.00 H new ATOM 0 HD2 LYS A 91 7.132 -2.219 7.759 1.00 0.00 H new ATOM 0 HD3 LYS A 91 7.745 -1.668 6.213 1.00 0.00 H new ATOM 0 HE2 LYS A 91 6.839 0.570 6.577 1.00 0.00 H new ATOM 0 HE3 LYS A 91 6.009 0.048 8.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 8.401 1.197 8.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 7.889 0.115 9.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 8.884 -0.430 7.982 1.00 0.00 H new ATOM 1378 N GLU A 92 8.500 -3.140 4.694 1.00 0.00 N ATOM 1379 CA GLU A 92 9.787 -2.460 4.591 1.00 0.00 C ATOM 1380 C GLU A 92 10.112 -2.128 3.137 1.00 0.00 C ATOM 1381 O GLU A 92 10.552 -1.022 2.824 1.00 0.00 O ATOM 1382 CB GLU A 92 10.896 -3.328 5.188 1.00 0.00 C ATOM 1383 CG GLU A 92 11.021 -3.204 6.697 1.00 0.00 C ATOM 1384 CD GLU A 92 11.392 -1.801 7.138 1.00 0.00 C ATOM 1385 OE1 GLU A 92 12.321 -1.218 6.541 1.00 0.00 O ATOM 1386 OE2 GLU A 92 10.753 -1.286 8.079 1.00 0.00 O ATOM 0 H GLU A 92 8.519 -3.999 5.243 1.00 0.00 H new ATOM 0 HA GLU A 92 9.723 -1.528 5.153 1.00 0.00 H new ATOM 0 HB2 GLU A 92 10.707 -4.371 4.932 1.00 0.00 H new ATOM 0 HB3 GLU A 92 11.846 -3.054 4.730 1.00 0.00 H new ATOM 0 HG2 GLU A 92 10.077 -3.489 7.161 1.00 0.00 H new ATOM 0 HG3 GLU A 92 11.776 -3.905 7.054 1.00 0.00 H new ATOM 1393 N LYS A 93 9.892 -3.095 2.252 1.00 0.00 N ATOM 1394 CA LYS A 93 10.161 -2.908 0.832 1.00 0.00 C ATOM 1395 C LYS A 93 9.369 -1.727 0.279 1.00 0.00 C ATOM 1396 O LYS A 93 9.946 -0.752 -0.206 1.00 0.00 O ATOM 1397 CB LYS A 93 9.810 -4.178 0.054 1.00 0.00 C ATOM 1398 CG LYS A 93 10.681 -5.371 0.412 1.00 0.00 C ATOM 1399 CD LYS A 93 12.115 -5.171 -0.047 1.00 0.00 C ATOM 1400 CE LYS A 93 12.940 -6.436 0.136 1.00 0.00 C ATOM 1401 NZ LYS A 93 12.629 -7.457 -0.902 1.00 0.00 N ATOM 0 H LYS A 93 9.528 -4.017 2.494 1.00 0.00 H new ATOM 0 HA LYS A 93 11.224 -2.698 0.714 1.00 0.00 H new ATOM 0 HB2 LYS A 93 8.766 -4.432 0.241 1.00 0.00 H new ATOM 0 HB3 LYS A 93 9.903 -3.978 -1.013 1.00 0.00 H new ATOM 0 HG2 LYS A 93 10.661 -5.526 1.491 1.00 0.00 H new ATOM 0 HG3 LYS A 93 10.273 -6.271 -0.047 1.00 0.00 H new ATOM 0 HD2 LYS A 93 12.125 -4.878 -1.097 1.00 0.00 H new ATOM 0 HD3 LYS A 93 12.568 -4.355 0.516 1.00 0.00 H new ATOM 0 HE2 LYS A 93 14.000 -6.187 0.094 1.00 0.00 H new ATOM 0 HE3 LYS A 93 12.750 -6.854 1.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 12.592 -8.399 -0.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 11.709 -7.241 -1.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 13.368 -7.445 -1.633 1.00 0.00 H new ATOM 1415 N LEU A 94 8.046 -1.819 0.357 1.00 0.00 N ATOM 1416 CA LEU A 94 7.175 -0.756 -0.133 1.00 0.00 C ATOM 1417 C LEU A 94 7.727 0.616 0.239 1.00 0.00 C ATOM 1418 O LEU A 94 7.754 1.531 -0.585 1.00 0.00 O ATOM 1419 CB LEU A 94 5.765 -0.923 0.435 1.00 0.00 C ATOM 1420 CG LEU A 94 4.817 -1.812 -0.372 1.00 0.00 C ATOM 1421 CD1 LEU A 94 4.982 -3.270 0.030 1.00 0.00 C ATOM 1422 CD2 LEU A 94 3.375 -1.364 -0.182 1.00 0.00 C ATOM 0 H LEU A 94 7.553 -2.618 0.755 1.00 0.00 H new ATOM 0 HA LEU A 94 7.133 -0.827 -1.220 1.00 0.00 H new ATOM 0 HB2 LEU A 94 5.847 -1.333 1.442 1.00 0.00 H new ATOM 0 HB3 LEU A 94 5.313 0.065 0.529 1.00 0.00 H new ATOM 0 HG LEU A 94 5.070 -1.717 -1.428 1.00 0.00 H new ATOM 0 HD11 LEU A 94 4.300 -3.888 -0.554 1.00 0.00 H new ATOM 0 HD12 LEU A 94 6.008 -3.585 -0.158 1.00 0.00 H new ATOM 0 HD13 LEU A 94 4.756 -3.383 1.090 1.00 0.00 H new ATOM 0 HD21 LEU A 94 2.715 -2.007 -0.763 1.00 0.00 H new ATOM 0 HD22 LEU A 94 3.110 -1.430 0.873 1.00 0.00 H new ATOM 0 HD23 LEU A 94 3.267 -0.333 -0.520 1.00 0.00 H new ATOM 1434 N LEU A 95 8.169 0.752 1.485 1.00 0.00 N ATOM 1435 CA LEU A 95 8.723 2.012 1.967 1.00 0.00 C ATOM 1436 C LEU A 95 9.951 2.413 1.155 1.00 0.00 C ATOM 1437 O LEU A 95 10.030 3.529 0.643 1.00 0.00 O ATOM 1438 CB LEU A 95 9.092 1.897 3.447 1.00 0.00 C ATOM 1439 CG LEU A 95 7.986 2.247 4.444 1.00 0.00 C ATOM 1440 CD1 LEU A 95 7.536 3.687 4.256 1.00 0.00 C ATOM 1441 CD2 LEU A 95 6.809 1.294 4.291 1.00 0.00 C ATOM 0 H LEU A 95 8.154 0.005 2.179 1.00 0.00 H new ATOM 0 HA LEU A 95 7.963 2.784 1.847 1.00 0.00 H new ATOM 0 HB2 LEU A 95 9.418 0.875 3.641 1.00 0.00 H new ATOM 0 HB3 LEU A 95 9.946 2.547 3.639 1.00 0.00 H new ATOM 0 HG LEU A 95 8.385 2.141 5.453 1.00 0.00 H new ATOM 0 HD11 LEU A 95 6.749 3.919 4.973 1.00 0.00 H new ATOM 0 HD12 LEU A 95 8.381 4.356 4.416 1.00 0.00 H new ATOM 0 HD13 LEU A 95 7.155 3.820 3.244 1.00 0.00 H new ATOM 0 HD21 LEU A 95 6.032 1.558 5.008 1.00 0.00 H new ATOM 0 HD22 LEU A 95 6.410 1.368 3.279 1.00 0.00 H new ATOM 0 HD23 LEU A 95 7.142 0.273 4.476 1.00 0.00 H new ATOM 1453 N GLU A 96 10.904 1.494 1.040 1.00 0.00 N ATOM 1454 CA GLU A 96 12.127 1.753 0.289 1.00 0.00 C ATOM 1455 C GLU A 96 11.810 2.357 -1.075 1.00 0.00 C ATOM 1456 O GLU A 96 12.455 3.312 -1.507 1.00 0.00 O ATOM 1457 CB GLU A 96 12.927 0.460 0.113 1.00 0.00 C ATOM 1458 CG GLU A 96 13.330 -0.190 1.426 1.00 0.00 C ATOM 1459 CD GLU A 96 13.873 -1.593 1.240 1.00 0.00 C ATOM 1460 OE1 GLU A 96 14.783 -1.772 0.404 1.00 0.00 O ATOM 1461 OE2 GLU A 96 13.387 -2.513 1.930 1.00 0.00 O ATOM 0 H GLU A 96 10.853 0.564 1.457 1.00 0.00 H new ATOM 0 HA GLU A 96 12.725 2.468 0.854 1.00 0.00 H new ATOM 0 HB2 GLU A 96 12.334 -0.248 -0.466 1.00 0.00 H new ATOM 0 HB3 GLU A 96 13.825 0.674 -0.467 1.00 0.00 H new ATOM 0 HG2 GLU A 96 14.085 0.426 1.915 1.00 0.00 H new ATOM 0 HG3 GLU A 96 12.467 -0.224 2.090 1.00 0.00 H new ATOM 1468 N GLN A 97 10.812 1.793 -1.748 1.00 0.00 N ATOM 1469 CA GLN A 97 10.410 2.276 -3.064 1.00 0.00 C ATOM 1470 C GLN A 97 9.843 3.689 -2.976 1.00 0.00 C ATOM 1471 O GLN A 97 10.292 4.593 -3.679 1.00 0.00 O ATOM 1472 CB GLN A 97 9.372 1.335 -3.681 1.00 0.00 C ATOM 1473 CG GLN A 97 9.983 0.206 -4.496 1.00 0.00 C ATOM 1474 CD GLN A 97 10.900 0.709 -5.594 1.00 0.00 C ATOM 1475 OE1 GLN A 97 12.102 0.877 -5.386 1.00 0.00 O ATOM 1476 NE2 GLN A 97 10.335 0.952 -6.771 1.00 0.00 N ATOM 0 H GLN A 97 10.268 1.002 -1.404 1.00 0.00 H new ATOM 0 HA GLN A 97 11.295 2.298 -3.701 1.00 0.00 H new ATOM 0 HB2 GLN A 97 8.762 0.908 -2.885 1.00 0.00 H new ATOM 0 HB3 GLN A 97 8.704 1.913 -4.320 1.00 0.00 H new ATOM 0 HG2 GLN A 97 10.544 -0.453 -3.833 1.00 0.00 H new ATOM 0 HG3 GLN A 97 9.185 -0.390 -4.939 1.00 0.00 H new ATOM 0 HE21 GLN A 97 9.335 0.798 -6.898 1.00 0.00 H new ATOM 0 HE22 GLN A 97 10.901 1.292 -7.548 1.00 0.00 H new ATOM 1485 N ALA A 98 8.853 3.871 -2.108 1.00 0.00 N ATOM 1486 CA ALA A 98 8.226 5.174 -1.927 1.00 0.00 C ATOM 1487 C ALA A 98 9.247 6.299 -2.065 1.00 0.00 C ATOM 1488 O ALA A 98 9.074 7.211 -2.873 1.00 0.00 O ATOM 1489 CB ALA A 98 7.539 5.246 -0.571 1.00 0.00 C ATOM 0 H ALA A 98 8.468 3.132 -1.519 1.00 0.00 H new ATOM 0 HA ALA A 98 7.477 5.300 -2.709 1.00 0.00 H new ATOM 0 HB1 ALA A 98 7.075 6.225 -0.450 1.00 0.00 H new ATOM 0 HB2 ALA A 98 6.774 4.472 -0.509 1.00 0.00 H new ATOM 0 HB3 ALA A 98 8.275 5.093 0.218 1.00 0.00 H new ATOM 1495 N GLU A 99 10.311 6.227 -1.271 1.00 0.00 N ATOM 1496 CA GLU A 99 11.358 7.240 -1.305 1.00 0.00 C ATOM 1497 C GLU A 99 11.641 7.684 -2.738 1.00 0.00 C ATOM 1498 O GLU A 99 11.506 8.860 -3.073 1.00 0.00 O ATOM 1499 CB GLU A 99 12.640 6.703 -0.664 1.00 0.00 C ATOM 1500 CG GLU A 99 12.728 6.965 0.831 1.00 0.00 C ATOM 1501 CD GLU A 99 14.115 6.705 1.387 1.00 0.00 C ATOM 1502 OE1 GLU A 99 14.513 5.523 1.457 1.00 0.00 O ATOM 1503 OE2 GLU A 99 14.801 7.682 1.752 1.00 0.00 O ATOM 0 H GLU A 99 10.470 5.478 -0.597 1.00 0.00 H new ATOM 0 HA GLU A 99 11.010 8.103 -0.737 1.00 0.00 H new ATOM 0 HB2 GLU A 99 12.703 5.629 -0.841 1.00 0.00 H new ATOM 0 HB3 GLU A 99 13.500 7.158 -1.155 1.00 0.00 H new ATOM 0 HG2 GLU A 99 12.448 7.999 1.032 1.00 0.00 H new ATOM 0 HG3 GLU A 99 12.008 6.333 1.350 1.00 0.00 H new ATOM 1510 N SER A 100 12.033 6.732 -3.578 1.00 0.00 N ATOM 1511 CA SER A 100 12.339 7.024 -4.974 1.00 0.00 C ATOM 1512 C SER A 100 11.136 7.647 -5.675 1.00 0.00 C ATOM 1513 O SER A 100 11.287 8.438 -6.607 1.00 0.00 O ATOM 1514 CB SER A 100 12.763 5.747 -5.703 1.00 0.00 C ATOM 1515 OG SER A 100 13.236 6.037 -7.007 1.00 0.00 O ATOM 0 H SER A 100 12.146 5.752 -3.317 1.00 0.00 H new ATOM 0 HA SER A 100 13.162 7.738 -4.998 1.00 0.00 H new ATOM 0 HB2 SER A 100 13.543 5.242 -5.134 1.00 0.00 H new ATOM 0 HB3 SER A 100 11.918 5.061 -5.763 1.00 0.00 H new ATOM 0 HG SER A 100 13.502 5.205 -7.451 1.00 0.00 H new ATOM 1521 N LEU A 101 9.942 7.286 -5.220 1.00 0.00 N ATOM 1522 CA LEU A 101 8.711 7.809 -5.802 1.00 0.00 C ATOM 1523 C LEU A 101 8.157 8.957 -4.965 1.00 0.00 C ATOM 1524 O LEU A 101 6.943 9.101 -4.814 1.00 0.00 O ATOM 1525 CB LEU A 101 7.666 6.698 -5.919 1.00 0.00 C ATOM 1526 CG LEU A 101 7.773 5.803 -7.154 1.00 0.00 C ATOM 1527 CD1 LEU A 101 7.121 4.453 -6.893 1.00 0.00 C ATOM 1528 CD2 LEU A 101 7.138 6.480 -8.360 1.00 0.00 C ATOM 0 H LEU A 101 9.800 6.633 -4.449 1.00 0.00 H new ATOM 0 HA LEU A 101 8.942 8.188 -6.797 1.00 0.00 H new ATOM 0 HB2 LEU A 101 7.734 6.068 -5.032 1.00 0.00 H new ATOM 0 HB3 LEU A 101 6.677 7.155 -5.911 1.00 0.00 H new ATOM 0 HG LEU A 101 8.829 5.638 -7.369 1.00 0.00 H new ATOM 0 HD11 LEU A 101 7.207 3.829 -7.783 1.00 0.00 H new ATOM 0 HD12 LEU A 101 7.621 3.963 -6.057 1.00 0.00 H new ATOM 0 HD13 LEU A 101 6.068 4.598 -6.652 1.00 0.00 H new ATOM 0 HD21 LEU A 101 7.223 5.829 -9.230 1.00 0.00 H new ATOM 0 HD22 LEU A 101 6.085 6.676 -8.155 1.00 0.00 H new ATOM 0 HD23 LEU A 101 7.650 7.421 -8.560 1.00 0.00 H new ATOM 1540 N LEU A 102 9.055 9.773 -4.423 1.00 0.00 N ATOM 1541 CA LEU A 102 8.656 10.912 -3.603 1.00 0.00 C ATOM 1542 C LEU A 102 7.994 11.991 -4.453 1.00 0.00 C ATOM 1543 O LEU A 102 7.946 11.888 -5.678 1.00 0.00 O ATOM 1544 CB LEU A 102 9.872 11.492 -2.877 1.00 0.00 C ATOM 1545 CG LEU A 102 10.183 10.894 -1.504 1.00 0.00 C ATOM 1546 CD1 LEU A 102 11.551 11.350 -1.021 1.00 0.00 C ATOM 1547 CD2 LEU A 102 9.106 11.277 -0.500 1.00 0.00 C ATOM 0 H LEU A 102 10.063 9.667 -4.536 1.00 0.00 H new ATOM 0 HA LEU A 102 7.932 10.563 -2.867 1.00 0.00 H new ATOM 0 HB2 LEU A 102 10.747 11.362 -3.514 1.00 0.00 H new ATOM 0 HB3 LEU A 102 9.721 12.565 -2.758 1.00 0.00 H new ATOM 0 HG LEU A 102 10.196 9.808 -1.596 1.00 0.00 H new ATOM 0 HD11 LEU A 102 11.755 10.915 -0.043 1.00 0.00 H new ATOM 0 HD12 LEU A 102 12.314 11.025 -1.729 1.00 0.00 H new ATOM 0 HD13 LEU A 102 11.566 12.437 -0.945 1.00 0.00 H new ATOM 0 HD21 LEU A 102 9.343 10.843 0.471 1.00 0.00 H new ATOM 0 HD22 LEU A 102 9.061 12.362 -0.411 1.00 0.00 H new ATOM 0 HD23 LEU A 102 8.141 10.900 -0.840 1.00 0.00 H new ATOM 1559 N SER A 103 7.486 13.028 -3.794 1.00 0.00 N ATOM 1560 CA SER A 103 6.825 14.126 -4.489 1.00 0.00 C ATOM 1561 C SER A 103 5.924 13.600 -5.602 1.00 0.00 C ATOM 1562 O SER A 103 5.679 14.288 -6.593 1.00 0.00 O ATOM 1563 CB SER A 103 7.862 15.089 -5.068 1.00 0.00 C ATOM 1564 OG SER A 103 7.258 16.303 -5.480 1.00 0.00 O ATOM 0 H SER A 103 7.520 13.130 -2.780 1.00 0.00 H new ATOM 0 HA SER A 103 6.207 14.661 -3.768 1.00 0.00 H new ATOM 0 HB2 SER A 103 8.628 15.296 -4.320 1.00 0.00 H new ATOM 0 HB3 SER A 103 8.362 14.622 -5.916 1.00 0.00 H new ATOM 0 HG SER A 103 6.481 16.107 -6.044 1.00 0.00 H new ATOM 1570 N GLU A 104 5.435 12.376 -5.431 1.00 0.00 N ATOM 1571 CA GLU A 104 4.562 11.757 -6.422 1.00 0.00 C ATOM 1572 C GLU A 104 3.561 10.818 -5.755 1.00 0.00 C ATOM 1573 O GLU A 104 3.741 10.385 -4.617 1.00 0.00 O ATOM 1574 CB GLU A 104 5.390 10.989 -7.454 1.00 0.00 C ATOM 1575 CG GLU A 104 5.800 11.828 -8.653 1.00 0.00 C ATOM 1576 CD GLU A 104 6.701 11.074 -9.611 1.00 0.00 C ATOM 1577 OE1 GLU A 104 7.895 10.900 -9.291 1.00 0.00 O ATOM 1578 OE2 GLU A 104 6.212 10.659 -10.683 1.00 0.00 O ATOM 0 H GLU A 104 5.628 11.794 -4.616 1.00 0.00 H new ATOM 0 HA GLU A 104 4.009 12.549 -6.927 1.00 0.00 H new ATOM 0 HB2 GLU A 104 6.286 10.599 -6.971 1.00 0.00 H new ATOM 0 HB3 GLU A 104 4.816 10.130 -7.802 1.00 0.00 H new ATOM 0 HG2 GLU A 104 4.907 12.158 -9.184 1.00 0.00 H new ATOM 0 HG3 GLU A 104 6.314 12.724 -8.306 1.00 0.00 H new ATOM 1585 N PRO A 105 2.480 10.495 -6.480 1.00 0.00 N ATOM 1586 CA PRO A 105 1.429 9.604 -5.979 1.00 0.00 C ATOM 1587 C PRO A 105 1.902 8.159 -5.860 1.00 0.00 C ATOM 1588 O PRO A 105 1.698 7.353 -6.767 1.00 0.00 O ATOM 1589 CB PRO A 105 0.330 9.721 -7.039 1.00 0.00 C ATOM 1590 CG PRO A 105 1.046 10.117 -8.284 1.00 0.00 C ATOM 1591 CD PRO A 105 2.200 10.974 -7.844 1.00 0.00 C ATOM 0 HA PRO A 105 1.104 9.880 -4.976 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -0.197 8.776 -7.169 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -0.415 10.465 -6.757 1.00 0.00 H new ATOM 0 HG2 PRO A 105 1.397 9.240 -8.828 1.00 0.00 H new ATOM 0 HG3 PRO A 105 0.386 10.666 -8.956 1.00 0.00 H new ATOM 0 HD2 PRO A 105 3.063 10.852 -8.498 1.00 0.00 H new ATOM 0 HD3 PRO A 105 1.941 12.033 -7.853 1.00 0.00 H new ATOM 1599 N MET A 106 2.533 7.839 -4.735 1.00 0.00 N ATOM 1600 CA MET A 106 3.033 6.490 -4.497 1.00 0.00 C ATOM 1601 C MET A 106 1.916 5.575 -4.004 1.00 0.00 C ATOM 1602 O MET A 106 1.841 4.408 -4.388 1.00 0.00 O ATOM 1603 CB MET A 106 4.173 6.518 -3.478 1.00 0.00 C ATOM 1604 CG MET A 106 3.771 7.100 -2.132 1.00 0.00 C ATOM 1605 SD MET A 106 5.190 7.461 -1.079 1.00 0.00 S ATOM 1606 CE MET A 106 5.833 8.933 -1.871 1.00 0.00 C ATOM 0 H MET A 106 2.710 8.495 -3.974 1.00 0.00 H new ATOM 0 HA MET A 106 3.410 6.097 -5.441 1.00 0.00 H new ATOM 0 HB2 MET A 106 4.542 5.503 -3.330 1.00 0.00 H new ATOM 0 HB3 MET A 106 4.999 7.102 -3.885 1.00 0.00 H new ATOM 0 HG2 MET A 106 3.200 8.015 -2.292 1.00 0.00 H new ATOM 0 HG3 MET A 106 3.112 6.399 -1.620 1.00 0.00 H new ATOM 0 HE1 MET A 106 6.813 8.718 -2.297 1.00 0.00 H new ATOM 0 HE2 MET A 106 5.153 9.246 -2.663 1.00 0.00 H new ATOM 0 HE3 MET A 106 5.925 9.732 -1.135 1.00 0.00 H new ATOM 1616 N VAL A 107 1.051 6.113 -3.150 1.00 0.00 N ATOM 1617 CA VAL A 107 -0.062 5.345 -2.605 1.00 0.00 C ATOM 1618 C VAL A 107 -0.590 4.342 -3.625 1.00 0.00 C ATOM 1619 O VAL A 107 -0.593 3.135 -3.380 1.00 0.00 O ATOM 1620 CB VAL A 107 -1.216 6.265 -2.163 1.00 0.00 C ATOM 1621 CG1 VAL A 107 -2.474 5.454 -1.896 1.00 0.00 C ATOM 1622 CG2 VAL A 107 -0.816 7.065 -0.932 1.00 0.00 C ATOM 0 H VAL A 107 1.100 7.077 -2.821 1.00 0.00 H new ATOM 0 HA VAL A 107 0.320 4.809 -1.736 1.00 0.00 H new ATOM 0 HB VAL A 107 -1.430 6.965 -2.971 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -3.278 6.121 -1.585 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -2.769 4.930 -2.805 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -2.279 4.729 -1.106 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -1.642 7.710 -0.633 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -0.575 6.382 -0.117 1.00 0.00 H new ATOM 0 HG23 VAL A 107 0.056 7.677 -1.163 1.00 0.00 H new ATOM 1632 N HIS A 108 -1.036 4.849 -4.770 1.00 0.00 N ATOM 1633 CA HIS A 108 -1.565 3.997 -5.829 1.00 0.00 C ATOM 1634 C HIS A 108 -0.477 3.086 -6.388 1.00 0.00 C ATOM 1635 O HIS A 108 -0.527 1.868 -6.218 1.00 0.00 O ATOM 1636 CB HIS A 108 -2.158 4.851 -6.950 1.00 0.00 C ATOM 1637 CG HIS A 108 -2.679 4.048 -8.102 1.00 0.00 C ATOM 1638 ND1 HIS A 108 -2.445 4.381 -9.419 1.00 0.00 N ATOM 1639 CD2 HIS A 108 -3.426 2.919 -8.128 1.00 0.00 C ATOM 1640 CE1 HIS A 108 -3.026 3.493 -10.206 1.00 0.00 C ATOM 1641 NE2 HIS A 108 -3.628 2.595 -9.448 1.00 0.00 N ATOM 0 H HIS A 108 -1.042 5.845 -4.988 1.00 0.00 H new ATOM 0 HA HIS A 108 -2.351 3.374 -5.402 1.00 0.00 H new ATOM 0 HB2 HIS A 108 -2.968 5.457 -6.544 1.00 0.00 H new ATOM 0 HB3 HIS A 108 -1.395 5.540 -7.313 1.00 0.00 H new ATOM 0 HD1 HIS A 108 -1.907 5.187 -9.736 1.00 0.00 H new ATOM 0 HD2 HIS A 108 -3.794 2.375 -7.271 1.00 0.00 H new ATOM 0 HE1 HIS A 108 -3.011 3.500 -11.286 1.00 0.00 H new ATOM 1650 N GLU A 109 0.505 3.685 -7.055 1.00 0.00 N ATOM 1651 CA GLU A 109 1.604 2.926 -7.640 1.00 0.00 C ATOM 1652 C GLU A 109 1.995 1.755 -6.743 1.00 0.00 C ATOM 1653 O GLU A 109 1.859 0.592 -7.125 1.00 0.00 O ATOM 1654 CB GLU A 109 2.814 3.833 -7.870 1.00 0.00 C ATOM 1655 CG GLU A 109 2.623 4.827 -9.003 1.00 0.00 C ATOM 1656 CD GLU A 109 3.937 5.377 -9.525 1.00 0.00 C ATOM 1657 OE1 GLU A 109 4.767 4.574 -10.001 1.00 0.00 O ATOM 1658 OE2 GLU A 109 4.134 6.608 -9.457 1.00 0.00 O ATOM 0 H GLU A 109 0.562 4.693 -7.203 1.00 0.00 H new ATOM 0 HA GLU A 109 1.268 2.530 -8.599 1.00 0.00 H new ATOM 0 HB2 GLU A 109 3.028 4.379 -6.951 1.00 0.00 H new ATOM 0 HB3 GLU A 109 3.686 3.214 -8.084 1.00 0.00 H new ATOM 0 HG2 GLU A 109 2.086 4.343 -9.819 1.00 0.00 H new ATOM 0 HG3 GLU A 109 2.000 5.652 -8.657 1.00 0.00 H new ATOM 1665 N LEU A 110 2.482 2.071 -5.548 1.00 0.00 N ATOM 1666 CA LEU A 110 2.894 1.046 -4.594 1.00 0.00 C ATOM 1667 C LEU A 110 1.943 -0.146 -4.631 1.00 0.00 C ATOM 1668 O LEU A 110 2.337 -1.257 -4.984 1.00 0.00 O ATOM 1669 CB LEU A 110 2.946 1.628 -3.181 1.00 0.00 C ATOM 1670 CG LEU A 110 3.902 2.803 -2.973 1.00 0.00 C ATOM 1671 CD1 LEU A 110 3.473 3.636 -1.776 1.00 0.00 C ATOM 1672 CD2 LEU A 110 5.329 2.304 -2.794 1.00 0.00 C ATOM 0 H LEU A 110 2.601 3.028 -5.216 1.00 0.00 H new ATOM 0 HA LEU A 110 3.889 0.702 -4.875 1.00 0.00 H new ATOM 0 HB2 LEU A 110 1.942 1.950 -2.905 1.00 0.00 H new ATOM 0 HB3 LEU A 110 3.226 0.831 -2.492 1.00 0.00 H new ATOM 0 HG LEU A 110 3.867 3.435 -3.860 1.00 0.00 H new ATOM 0 HD11 LEU A 110 4.166 4.467 -1.644 1.00 0.00 H new ATOM 0 HD12 LEU A 110 2.468 4.024 -1.944 1.00 0.00 H new ATOM 0 HD13 LEU A 110 3.477 3.015 -0.880 1.00 0.00 H new ATOM 0 HD21 LEU A 110 5.996 3.154 -2.647 1.00 0.00 H new ATOM 0 HD22 LEU A 110 5.379 1.649 -1.924 1.00 0.00 H new ATOM 0 HD23 LEU A 110 5.635 1.752 -3.682 1.00 0.00 H new ATOM 1684 N VAL A 111 0.688 0.094 -4.266 1.00 0.00 N ATOM 1685 CA VAL A 111 -0.321 -0.959 -4.260 1.00 0.00 C ATOM 1686 C VAL A 111 -0.120 -1.919 -5.427 1.00 0.00 C ATOM 1687 O VAL A 111 0.093 -3.116 -5.231 1.00 0.00 O ATOM 1688 CB VAL A 111 -1.744 -0.374 -4.331 1.00 0.00 C ATOM 1689 CG1 VAL A 111 -2.743 -1.445 -4.740 1.00 0.00 C ATOM 1690 CG2 VAL A 111 -2.131 0.245 -2.996 1.00 0.00 C ATOM 0 H VAL A 111 0.345 1.008 -3.971 1.00 0.00 H new ATOM 0 HA VAL A 111 -0.206 -1.502 -3.322 1.00 0.00 H new ATOM 0 HB VAL A 111 -1.759 0.410 -5.088 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -3.742 -1.012 -4.785 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -2.474 -1.838 -5.720 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -2.730 -2.253 -4.009 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -3.139 0.654 -3.063 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -2.100 -0.518 -2.218 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -1.431 1.044 -2.749 1.00 0.00 H new ATOM 1700 N LEU A 112 -0.189 -1.387 -6.642 1.00 0.00 N ATOM 1701 CA LEU A 112 -0.014 -2.196 -7.844 1.00 0.00 C ATOM 1702 C LEU A 112 1.343 -2.894 -7.837 1.00 0.00 C ATOM 1703 O LEU A 112 1.440 -4.085 -8.133 1.00 0.00 O ATOM 1704 CB LEU A 112 -0.146 -1.324 -9.093 1.00 0.00 C ATOM 1705 CG LEU A 112 -1.524 -0.710 -9.341 1.00 0.00 C ATOM 1706 CD1 LEU A 112 -1.426 0.438 -10.334 1.00 0.00 C ATOM 1707 CD2 LEU A 112 -2.497 -1.768 -9.841 1.00 0.00 C ATOM 0 H LEU A 112 -0.365 -0.398 -6.822 1.00 0.00 H new ATOM 0 HA LEU A 112 -0.794 -2.958 -7.857 1.00 0.00 H new ATOM 0 HB2 LEU A 112 0.583 -0.516 -9.026 1.00 0.00 H new ATOM 0 HB3 LEU A 112 0.123 -1.925 -9.961 1.00 0.00 H new ATOM 0 HG LEU A 112 -1.900 -0.316 -8.397 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -2.416 0.863 -10.498 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -0.763 1.207 -9.937 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -1.028 0.068 -11.279 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -3.473 -1.313 -10.012 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -2.126 -2.192 -10.774 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -2.591 -2.558 -9.095 1.00 0.00 H new ATOM 1719 N TRP A 113 2.385 -2.145 -7.496 1.00 0.00 N ATOM 1720 CA TRP A 113 3.736 -2.693 -7.448 1.00 0.00 C ATOM 1721 C TRP A 113 3.771 -3.988 -6.645 1.00 0.00 C ATOM 1722 O TRP A 113 4.154 -5.038 -7.160 1.00 0.00 O ATOM 1723 CB TRP A 113 4.701 -1.674 -6.839 1.00 0.00 C ATOM 1724 CG TRP A 113 6.105 -2.184 -6.717 1.00 0.00 C ATOM 1725 CD1 TRP A 113 7.022 -2.306 -7.721 1.00 0.00 C ATOM 1726 CD2 TRP A 113 6.749 -2.643 -5.524 1.00 0.00 C ATOM 1727 NE1 TRP A 113 8.199 -2.812 -7.223 1.00 0.00 N ATOM 1728 CE2 TRP A 113 8.057 -3.027 -5.878 1.00 0.00 C ATOM 1729 CE3 TRP A 113 6.349 -2.764 -4.190 1.00 0.00 C ATOM 1730 CZ2 TRP A 113 8.964 -3.524 -4.946 1.00 0.00 C ATOM 1731 CZ3 TRP A 113 7.251 -3.258 -3.267 1.00 0.00 C ATOM 1732 CH2 TRP A 113 8.546 -3.633 -3.648 1.00 0.00 C ATOM 0 H TRP A 113 2.321 -1.157 -7.249 1.00 0.00 H new ATOM 0 HA TRP A 113 4.048 -2.913 -8.469 1.00 0.00 H new ATOM 0 HB2 TRP A 113 4.701 -0.773 -7.453 1.00 0.00 H new ATOM 0 HB3 TRP A 113 4.339 -1.387 -5.852 1.00 0.00 H new ATOM 0 HD1 TRP A 113 6.848 -2.044 -8.754 1.00 0.00 H new ATOM 0 HE1 TRP A 113 9.042 -2.997 -7.767 1.00 0.00 H new ATOM 0 HE3 TRP A 113 5.353 -2.477 -3.886 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 9.963 -3.813 -5.238 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 6.952 -3.357 -2.234 1.00 0.00 H new ATOM 0 HH2 TRP A 113 9.227 -4.016 -2.903 1.00 0.00 H new ATOM 1743 N ILE A 114 3.368 -3.906 -5.381 1.00 0.00 N ATOM 1744 CA ILE A 114 3.352 -5.073 -4.508 1.00 0.00 C ATOM 1745 C ILE A 114 2.312 -6.089 -4.967 1.00 0.00 C ATOM 1746 O ILE A 114 2.537 -7.297 -4.894 1.00 0.00 O ATOM 1747 CB ILE A 114 3.059 -4.679 -3.048 1.00 0.00 C ATOM 1748 CG1 ILE A 114 2.952 -5.929 -2.171 1.00 0.00 C ATOM 1749 CG2 ILE A 114 1.781 -3.857 -2.967 1.00 0.00 C ATOM 1750 CD1 ILE A 114 4.236 -6.724 -2.094 1.00 0.00 C ATOM 0 H ILE A 114 3.048 -3.044 -4.939 1.00 0.00 H new ATOM 0 HA ILE A 114 4.344 -5.522 -4.563 1.00 0.00 H new ATOM 0 HB ILE A 114 3.884 -4.069 -2.679 1.00 0.00 H new ATOM 0 HG12 ILE A 114 2.657 -5.633 -1.164 1.00 0.00 H new ATOM 0 HG13 ILE A 114 2.160 -6.569 -2.560 1.00 0.00 H new ATOM 0 HG21 ILE A 114 1.588 -3.586 -1.929 1.00 0.00 H new ATOM 0 HG22 ILE A 114 1.892 -2.951 -3.563 1.00 0.00 H new ATOM 0 HG23 ILE A 114 0.946 -4.444 -3.351 1.00 0.00 H new ATOM 0 HD11 ILE A 114 4.087 -7.595 -1.456 1.00 0.00 H new ATOM 0 HD12 ILE A 114 4.522 -7.051 -3.094 1.00 0.00 H new ATOM 0 HD13 ILE A 114 5.026 -6.100 -1.676 1.00 0.00 H new ATOM 1762 N GLN A 115 1.175 -5.590 -5.440 1.00 0.00 N ATOM 1763 CA GLN A 115 0.100 -6.456 -5.912 1.00 0.00 C ATOM 1764 C GLN A 115 0.637 -7.521 -6.863 1.00 0.00 C ATOM 1765 O GLN A 115 0.129 -8.641 -6.905 1.00 0.00 O ATOM 1766 CB GLN A 115 -0.980 -5.628 -6.612 1.00 0.00 C ATOM 1767 CG GLN A 115 -2.072 -5.137 -5.675 1.00 0.00 C ATOM 1768 CD GLN A 115 -3.176 -4.397 -6.404 1.00 0.00 C ATOM 1769 OE1 GLN A 115 -2.913 -3.521 -7.228 1.00 0.00 O ATOM 1770 NE2 GLN A 115 -4.421 -4.746 -6.103 1.00 0.00 N ATOM 0 H GLN A 115 0.974 -4.592 -5.507 1.00 0.00 H new ATOM 0 HA GLN A 115 -0.338 -6.955 -5.047 1.00 0.00 H new ATOM 0 HB2 GLN A 115 -0.513 -4.769 -7.094 1.00 0.00 H new ATOM 0 HB3 GLN A 115 -1.433 -6.229 -7.401 1.00 0.00 H new ATOM 0 HG2 GLN A 115 -2.499 -5.987 -5.144 1.00 0.00 H new ATOM 0 HG3 GLN A 115 -1.633 -4.480 -4.924 1.00 0.00 H new ATOM 0 HE21 GLN A 115 -4.593 -5.478 -5.414 1.00 0.00 H new ATOM 0 HE22 GLN A 115 -5.206 -4.282 -6.561 1.00 0.00 H new ATOM 1779 N GLN A 116 1.666 -7.163 -7.625 1.00 0.00 N ATOM 1780 CA GLN A 116 2.270 -8.088 -8.576 1.00 0.00 C ATOM 1781 C GLN A 116 3.603 -8.614 -8.052 1.00 0.00 C ATOM 1782 O GLN A 116 3.950 -9.774 -8.266 1.00 0.00 O ATOM 1783 CB GLN A 116 2.474 -7.402 -9.928 1.00 0.00 C ATOM 1784 CG GLN A 116 1.194 -7.254 -10.734 1.00 0.00 C ATOM 1785 CD GLN A 116 1.411 -6.519 -12.042 1.00 0.00 C ATOM 1786 OE1 GLN A 116 2.531 -6.444 -12.548 1.00 0.00 O ATOM 1787 NE2 GLN A 116 0.336 -5.972 -12.599 1.00 0.00 N ATOM 0 H GLN A 116 2.098 -6.239 -7.602 1.00 0.00 H new ATOM 0 HA GLN A 116 1.592 -8.932 -8.704 1.00 0.00 H new ATOM 0 HB2 GLN A 116 2.906 -6.415 -9.764 1.00 0.00 H new ATOM 0 HB3 GLN A 116 3.196 -7.973 -10.511 1.00 0.00 H new ATOM 0 HG2 GLN A 116 0.783 -8.242 -10.941 1.00 0.00 H new ATOM 0 HG3 GLN A 116 0.454 -6.719 -10.139 1.00 0.00 H new ATOM 0 HE21 GLN A 116 -0.573 -6.058 -12.145 1.00 0.00 H new ATOM 0 HE22 GLN A 116 0.420 -5.466 -13.480 1.00 0.00 H new ATOM 1796 N ASN A 117 4.345 -7.751 -7.366 1.00 0.00 N ATOM 1797 CA ASN A 117 5.641 -8.128 -6.813 1.00 0.00 C ATOM 1798 C ASN A 117 5.505 -8.563 -5.357 1.00 0.00 C ATOM 1799 O ASN A 117 6.295 -8.163 -4.502 1.00 0.00 O ATOM 1800 CB ASN A 117 6.623 -6.960 -6.918 1.00 0.00 C ATOM 1801 CG ASN A 117 6.874 -6.543 -8.354 1.00 0.00 C ATOM 1802 OD1 ASN A 117 7.606 -7.209 -9.087 1.00 0.00 O ATOM 1803 ND2 ASN A 117 6.267 -5.435 -8.763 1.00 0.00 N ATOM 0 H ASN A 117 4.071 -6.786 -7.180 1.00 0.00 H new ATOM 0 HA ASN A 117 6.024 -8.969 -7.391 1.00 0.00 H new ATOM 0 HB2 ASN A 117 6.233 -6.110 -6.359 1.00 0.00 H new ATOM 0 HB3 ASN A 117 7.568 -7.241 -6.454 1.00 0.00 H new ATOM 0 HD21 ASN A 117 6.399 -5.104 -9.719 1.00 0.00 H new ATOM 0 HD22 ASN A 117 5.669 -4.914 -8.121 1.00 0.00 H new ATOM 1810 N LEU A 118 4.498 -9.385 -5.083 1.00 0.00 N ATOM 1811 CA LEU A 118 4.258 -9.876 -3.731 1.00 0.00 C ATOM 1812 C LEU A 118 5.056 -11.149 -3.464 1.00 0.00 C ATOM 1813 O LEU A 118 5.824 -11.221 -2.505 1.00 0.00 O ATOM 1814 CB LEU A 118 2.766 -10.143 -3.521 1.00 0.00 C ATOM 1815 CG LEU A 118 2.353 -10.579 -2.115 1.00 0.00 C ATOM 1816 CD1 LEU A 118 0.928 -10.140 -1.817 1.00 0.00 C ATOM 1817 CD2 LEU A 118 2.492 -12.086 -1.961 1.00 0.00 C ATOM 0 H LEU A 118 3.835 -9.725 -5.779 1.00 0.00 H new ATOM 0 HA LEU A 118 4.586 -9.109 -3.029 1.00 0.00 H new ATOM 0 HB2 LEU A 118 2.216 -9.237 -3.775 1.00 0.00 H new ATOM 0 HB3 LEU A 118 2.453 -10.914 -4.225 1.00 0.00 H new ATOM 0 HG LEU A 118 3.017 -10.098 -1.397 1.00 0.00 H new ATOM 0 HD11 LEU A 118 0.652 -10.459 -0.812 1.00 0.00 H new ATOM 0 HD12 LEU A 118 0.860 -9.054 -1.884 1.00 0.00 H new ATOM 0 HD13 LEU A 118 0.249 -10.592 -2.541 1.00 0.00 H new ATOM 0 HD21 LEU A 118 2.194 -12.378 -0.954 1.00 0.00 H new ATOM 0 HD22 LEU A 118 1.853 -12.587 -2.688 1.00 0.00 H new ATOM 0 HD23 LEU A 118 3.529 -12.375 -2.130 1.00 0.00 H new ATOM 1829 N ARG A 119 4.869 -12.148 -4.319 1.00 0.00 N ATOM 1830 CA ARG A 119 5.573 -13.417 -4.176 1.00 0.00 C ATOM 1831 C ARG A 119 7.073 -13.233 -4.381 1.00 0.00 C ATOM 1832 O ARG A 119 7.884 -13.937 -3.777 1.00 0.00 O ATOM 1833 CB ARG A 119 5.032 -14.440 -5.178 1.00 0.00 C ATOM 1834 CG ARG A 119 5.139 -13.989 -6.625 1.00 0.00 C ATOM 1835 CD ARG A 119 4.410 -14.942 -7.560 1.00 0.00 C ATOM 1836 NE ARG A 119 4.277 -14.392 -8.907 1.00 0.00 N ATOM 1837 CZ ARG A 119 3.584 -14.981 -9.875 1.00 0.00 C ATOM 1838 NH1 ARG A 119 2.965 -16.131 -9.648 1.00 0.00 N ATOM 1839 NH2 ARG A 119 3.509 -14.418 -11.075 1.00 0.00 N ATOM 0 H ARG A 119 4.236 -12.104 -5.118 1.00 0.00 H new ATOM 0 HA ARG A 119 5.405 -13.785 -3.164 1.00 0.00 H new ATOM 0 HB2 ARG A 119 5.575 -15.377 -5.057 1.00 0.00 H new ATOM 0 HB3 ARG A 119 3.987 -14.645 -4.946 1.00 0.00 H new ATOM 0 HG2 ARG A 119 4.722 -12.987 -6.727 1.00 0.00 H new ATOM 0 HG3 ARG A 119 6.189 -13.928 -6.912 1.00 0.00 H new ATOM 0 HD2 ARG A 119 4.949 -15.888 -7.606 1.00 0.00 H new ATOM 0 HD3 ARG A 119 3.420 -15.159 -7.158 1.00 0.00 H new ATOM 0 HE ARG A 119 4.741 -13.508 -9.115 1.00 0.00 H new ATOM 0 HH11 ARG A 119 3.020 -16.567 -8.727 1.00 0.00 H new ATOM 0 HH12 ARG A 119 2.434 -16.580 -10.394 1.00 0.00 H new ATOM 0 HH21 ARG A 119 3.984 -13.533 -11.254 1.00 0.00 H new ATOM 0 HH22 ARG A 119 2.977 -14.870 -11.818 1.00 0.00 H new ATOM 1853 N HIS A 120 7.437 -12.283 -5.236 1.00 0.00 N ATOM 1854 CA HIS A 120 8.841 -12.006 -5.520 1.00 0.00 C ATOM 1855 C HIS A 120 9.586 -11.617 -4.247 1.00 0.00 C ATOM 1856 O HIS A 120 10.758 -11.953 -4.076 1.00 0.00 O ATOM 1857 CB HIS A 120 8.962 -10.890 -6.558 1.00 0.00 C ATOM 1858 CG HIS A 120 10.279 -10.178 -6.520 1.00 0.00 C ATOM 1859 ND1 HIS A 120 10.521 -9.087 -5.712 1.00 0.00 N ATOM 1860 CD2 HIS A 120 11.430 -10.407 -7.195 1.00 0.00 C ATOM 1861 CE1 HIS A 120 11.763 -8.675 -5.893 1.00 0.00 C ATOM 1862 NE2 HIS A 120 12.336 -9.459 -6.788 1.00 0.00 N ATOM 0 H HIS A 120 6.779 -11.692 -5.744 1.00 0.00 H new ATOM 0 HA HIS A 120 9.292 -12.914 -5.920 1.00 0.00 H new ATOM 0 HB2 HIS A 120 8.815 -11.312 -7.552 1.00 0.00 H new ATOM 0 HB3 HIS A 120 8.162 -10.167 -6.397 1.00 0.00 H new ATOM 0 HD2 HIS A 120 11.603 -11.190 -7.919 1.00 0.00 H new ATOM 0 HE1 HIS A 120 12.230 -7.839 -5.394 1.00 0.00 H new ATOM 0 HE2 HIS A 120 13.296 -9.374 -7.123 1.00 0.00 H new ATOM 1871 N ILE A 121 8.899 -10.907 -3.359 1.00 0.00 N ATOM 1872 CA ILE A 121 9.496 -10.473 -2.102 1.00 0.00 C ATOM 1873 C ILE A 121 9.806 -11.663 -1.200 1.00 0.00 C ATOM 1874 O ILE A 121 10.919 -11.797 -0.690 1.00 0.00 O ATOM 1875 CB ILE A 121 8.574 -9.498 -1.348 1.00 0.00 C ATOM 1876 CG1 ILE A 121 8.295 -8.260 -2.203 1.00 0.00 C ATOM 1877 CG2 ILE A 121 9.197 -9.101 -0.018 1.00 0.00 C ATOM 1878 CD1 ILE A 121 7.160 -7.408 -1.680 1.00 0.00 C ATOM 0 H ILE A 121 7.929 -10.620 -3.487 1.00 0.00 H new ATOM 0 HA ILE A 121 10.424 -9.960 -2.354 1.00 0.00 H new ATOM 0 HB ILE A 121 7.627 -9.999 -1.148 1.00 0.00 H new ATOM 0 HG12 ILE A 121 9.199 -7.654 -2.256 1.00 0.00 H new ATOM 0 HG13 ILE A 121 8.063 -8.576 -3.220 1.00 0.00 H new ATOM 0 HG21 ILE A 121 8.533 -8.411 0.503 1.00 0.00 H new ATOM 0 HG22 ILE A 121 9.348 -9.991 0.593 1.00 0.00 H new ATOM 0 HG23 ILE A 121 10.157 -8.616 -0.196 1.00 0.00 H new ATOM 0 HD11 ILE A 121 7.019 -6.548 -2.335 1.00 0.00 H new ATOM 0 HD12 ILE A 121 6.244 -7.999 -1.653 1.00 0.00 H new ATOM 0 HD13 ILE A 121 7.398 -7.062 -0.674 1.00 0.00 H new ATOM 1890 N LEU A 122 8.815 -12.527 -1.009 1.00 0.00 N ATOM 1891 CA LEU A 122 8.981 -13.709 -0.170 1.00 0.00 C ATOM 1892 C LEU A 122 10.244 -14.474 -0.551 1.00 0.00 C ATOM 1893 O LEU A 122 11.242 -14.442 0.169 1.00 0.00 O ATOM 1894 CB LEU A 122 7.760 -14.622 -0.294 1.00 0.00 C ATOM 1895 CG LEU A 122 6.607 -14.336 0.668 1.00 0.00 C ATOM 1896 CD1 LEU A 122 7.056 -14.520 2.109 1.00 0.00 C ATOM 1897 CD2 LEU A 122 6.068 -12.930 0.450 1.00 0.00 C ATOM 0 H LEU A 122 7.888 -12.431 -1.424 1.00 0.00 H new ATOM 0 HA LEU A 122 9.077 -13.380 0.865 1.00 0.00 H new ATOM 0 HB2 LEU A 122 7.381 -14.552 -1.314 1.00 0.00 H new ATOM 0 HB3 LEU A 122 8.085 -15.652 -0.144 1.00 0.00 H new ATOM 0 HG LEU A 122 5.805 -15.046 0.466 1.00 0.00 H new ATOM 0 HD11 LEU A 122 6.222 -14.312 2.779 1.00 0.00 H new ATOM 0 HD12 LEU A 122 7.393 -15.546 2.257 1.00 0.00 H new ATOM 0 HD13 LEU A 122 7.875 -13.834 2.325 1.00 0.00 H new ATOM 0 HD21 LEU A 122 5.248 -12.743 1.143 1.00 0.00 H new ATOM 0 HD22 LEU A 122 6.863 -12.205 0.624 1.00 0.00 H new ATOM 0 HD23 LEU A 122 5.707 -12.833 -0.574 1.00 0.00 H new