USER MOD reduce.3.24.130724 H: found=0, std=0, add=712, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 713 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 155:sc= 0.536 (180deg=-0.707) USER MOD Single : A 23 LYS NZ :NH3+ -166:sc= 1.27 (180deg=1.23) USER MOD Single : A 25 CYS SG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= -0.313 X(o=-0.31,f=-0.001) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot -56:sc= -0.894 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= -3.69! C(o=-3.7!,f=-8!) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 CYS SG : rot 45:sc= -0.107 USER MOD Single : A 79 ASN : amide:sc= -0.378 X(o=-0.38,f=-0.73) USER MOD Single : A 80 THR OG1 : rot -150:sc= -0.0233 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 HIS : no HD1:sc= -1.69 X(o=-1.7,f=-2) USER MOD Single : A 102 CYS SG : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 36:sc= 0.543 USER MOD ----------------------------------------------------------------- ATOM 129 N TRP A 12 -7.336 -2.033 2.559 1.00 0.00 N ATOM 130 CA TRP A 12 -7.157 -0.943 1.607 1.00 0.00 C ATOM 131 C TRP A 12 -8.244 -0.970 0.538 1.00 0.00 C ATOM 132 O TRP A 12 -9.064 -1.886 0.497 1.00 0.00 O ATOM 133 CB TRP A 12 -5.778 -1.032 0.952 1.00 0.00 C ATOM 134 CG TRP A 12 -4.680 -1.351 1.921 1.00 0.00 C ATOM 135 CD1 TRP A 12 -3.971 -0.462 2.678 1.00 0.00 C ATOM 136 CD2 TRP A 12 -4.164 -2.649 2.236 1.00 0.00 C ATOM 137 NE1 TRP A 12 -3.046 -1.130 3.444 1.00 0.00 N ATOM 138 CE2 TRP A 12 -3.145 -2.473 3.192 1.00 0.00 C ATOM 139 CE3 TRP A 12 -4.466 -3.944 1.804 1.00 0.00 C ATOM 140 CZ2 TRP A 12 -2.427 -3.543 3.720 1.00 0.00 C ATOM 141 CZ3 TRP A 12 -3.753 -5.004 2.329 1.00 0.00 C ATOM 142 CH2 TRP A 12 -2.744 -4.799 3.280 1.00 0.00 C ATOM 0 HA TRP A 12 -7.233 -0.002 2.152 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -5.801 -1.797 0.175 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -5.555 -0.085 0.460 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -4.116 0.608 2.675 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -2.392 -0.696 4.095 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -5.243 -4.112 1.073 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -1.647 -3.387 4.451 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -3.977 -6.008 2.001 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -2.206 -5.649 3.673 1.00 0.00 H new ATOM 153 N SER A 13 -8.243 0.041 -0.326 1.00 0.00 N ATOM 154 CA SER A 13 -9.232 0.134 -1.393 1.00 0.00 C ATOM 155 C SER A 13 -8.607 -0.204 -2.743 1.00 0.00 C ATOM 156 O SER A 13 -7.409 -0.028 -2.963 1.00 0.00 O ATOM 157 CB SER A 13 -9.837 1.539 -1.436 1.00 0.00 C ATOM 158 OG SER A 13 -10.975 1.629 -0.597 1.00 0.00 O ATOM 0 H SER A 13 -7.569 0.806 -0.308 1.00 0.00 H new ATOM 0 HA SER A 13 -10.022 -0.588 -1.186 1.00 0.00 H new ATOM 0 HB2 SER A 13 -9.091 2.269 -1.122 1.00 0.00 H new ATOM 0 HB3 SER A 13 -10.116 1.787 -2.460 1.00 0.00 H new ATOM 0 HG SER A 13 -11.342 2.536 -0.640 1.00 0.00 H new ATOM 164 N PRO A 14 -9.438 -0.702 -3.671 1.00 0.00 N ATOM 165 CA PRO A 14 -8.991 -1.075 -5.016 1.00 0.00 C ATOM 166 C PRO A 14 -8.618 0.139 -5.861 1.00 0.00 C ATOM 167 O PRO A 14 -8.215 0.002 -7.015 1.00 0.00 O ATOM 168 CB PRO A 14 -10.209 -1.786 -5.611 1.00 0.00 C ATOM 169 CG PRO A 14 -11.374 -1.226 -4.869 1.00 0.00 C ATOM 170 CD PRO A 14 -10.879 -0.938 -3.479 1.00 0.00 C ATOM 0 HA PRO A 14 -8.092 -1.690 -4.990 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -10.294 -1.598 -6.681 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -10.139 -2.866 -5.482 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -11.742 -0.319 -5.348 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -12.202 -1.935 -4.850 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -11.375 -0.068 -3.048 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -11.063 -1.775 -2.806 1.00 0.00 H new ATOM 178 N GLU A 15 -8.754 1.325 -5.276 1.00 0.00 N ATOM 179 CA GLU A 15 -8.430 2.562 -5.977 1.00 0.00 C ATOM 180 C GLU A 15 -7.048 3.070 -5.575 1.00 0.00 C ATOM 181 O GLU A 15 -6.832 3.476 -4.433 1.00 0.00 O ATOM 182 CB GLU A 15 -9.484 3.632 -5.682 1.00 0.00 C ATOM 183 CG GLU A 15 -9.426 4.168 -4.261 1.00 0.00 C ATOM 184 CD GLU A 15 -10.777 4.641 -3.760 1.00 0.00 C ATOM 185 OE1 GLU A 15 -11.804 4.131 -4.255 1.00 0.00 O ATOM 186 OE2 GLU A 15 -10.808 5.520 -2.874 1.00 0.00 O ATOM 0 H GLU A 15 -9.086 1.455 -4.320 1.00 0.00 H new ATOM 0 HA GLU A 15 -8.424 2.352 -7.047 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -9.354 4.460 -6.379 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -10.474 3.214 -5.864 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -9.049 3.389 -3.598 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -8.717 4.995 -4.217 1.00 0.00 H new ATOM 193 N VAL A 16 -6.116 3.043 -6.522 1.00 0.00 N ATOM 194 CA VAL A 16 -4.755 3.500 -6.268 1.00 0.00 C ATOM 195 C VAL A 16 -4.581 4.959 -6.674 1.00 0.00 C ATOM 196 O VAL A 16 -5.197 5.427 -7.633 1.00 0.00 O ATOM 197 CB VAL A 16 -3.724 2.642 -7.025 1.00 0.00 C ATOM 198 CG1 VAL A 16 -4.130 2.481 -8.482 1.00 0.00 C ATOM 199 CG2 VAL A 16 -2.337 3.255 -6.914 1.00 0.00 C ATOM 0 H VAL A 16 -6.279 2.709 -7.472 1.00 0.00 H new ATOM 0 HA VAL A 16 -4.583 3.400 -5.196 1.00 0.00 H new ATOM 0 HB VAL A 16 -3.696 1.652 -6.569 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -3.390 1.872 -9.001 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -5.103 1.994 -8.537 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -4.188 3.462 -8.954 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -1.621 2.636 -7.455 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -2.347 4.257 -7.343 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -2.047 3.312 -5.865 1.00 0.00 H new ATOM 209 N LYS A 17 -3.738 5.676 -5.939 1.00 0.00 N ATOM 210 CA LYS A 17 -3.480 7.083 -6.222 1.00 0.00 C ATOM 211 C LYS A 17 -1.987 7.334 -6.414 1.00 0.00 C ATOM 212 O LYS A 17 -1.159 6.806 -5.672 1.00 0.00 O ATOM 213 CB LYS A 17 -4.013 7.959 -5.087 1.00 0.00 C ATOM 214 CG LYS A 17 -3.726 7.403 -3.703 1.00 0.00 C ATOM 215 CD LYS A 17 -4.010 8.430 -2.619 1.00 0.00 C ATOM 216 CE LYS A 17 -3.108 8.230 -1.412 1.00 0.00 C ATOM 217 NZ LYS A 17 -1.797 8.916 -1.579 1.00 0.00 N ATOM 0 H LYS A 17 -3.221 5.305 -5.142 1.00 0.00 H new ATOM 0 HA LYS A 17 -3.997 7.343 -7.146 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -3.572 8.953 -5.169 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -5.090 8.077 -5.206 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -4.335 6.515 -3.533 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -2.684 7.090 -3.645 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -3.866 9.433 -3.020 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -5.053 8.357 -2.311 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -3.606 8.610 -0.520 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -2.943 7.164 -1.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -1.394 9.127 -0.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -1.146 8.298 -2.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -1.934 9.802 -2.105 1.00 0.00 H new ATOM 231 N ILE A 18 -1.652 8.144 -7.413 1.00 0.00 N ATOM 232 CA ILE A 18 -0.260 8.467 -7.700 1.00 0.00 C ATOM 233 C ILE A 18 0.159 9.758 -7.005 1.00 0.00 C ATOM 234 O ILE A 18 -0.395 10.826 -7.267 1.00 0.00 O ATOM 235 CB ILE A 18 -0.016 8.610 -9.214 1.00 0.00 C ATOM 236 CG1 ILE A 18 -0.466 7.344 -9.946 1.00 0.00 C ATOM 237 CG2 ILE A 18 1.454 8.893 -9.488 1.00 0.00 C ATOM 238 CD1 ILE A 18 0.394 6.136 -9.650 1.00 0.00 C ATOM 0 H ILE A 18 -2.326 8.588 -8.037 1.00 0.00 H new ATOM 0 HA ILE A 18 0.341 7.641 -7.320 1.00 0.00 H new ATOM 0 HB ILE A 18 -0.603 9.450 -9.585 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -1.497 7.122 -9.670 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -0.456 7.532 -11.020 1.00 0.00 H new ATOM 0 HG21 ILE A 18 1.612 8.992 -10.562 1.00 0.00 H new ATOM 0 HG22 ILE A 18 1.745 9.819 -8.992 1.00 0.00 H new ATOM 0 HG23 ILE A 18 2.060 8.071 -9.106 1.00 0.00 H new ATOM 0 HD11 ILE A 18 0.016 5.276 -10.203 1.00 0.00 H new ATOM 0 HD12 ILE A 18 1.422 6.338 -9.952 1.00 0.00 H new ATOM 0 HD13 ILE A 18 0.365 5.922 -8.582 1.00 0.00 H new ATOM 250 N VAL A 19 1.143 9.653 -6.117 1.00 0.00 N ATOM 251 CA VAL A 19 1.640 10.813 -5.386 1.00 0.00 C ATOM 252 C VAL A 19 2.980 11.280 -5.941 1.00 0.00 C ATOM 253 O VAL A 19 3.908 10.486 -6.100 1.00 0.00 O ATOM 254 CB VAL A 19 1.798 10.504 -3.885 1.00 0.00 C ATOM 255 CG1 VAL A 19 2.379 11.703 -3.151 1.00 0.00 C ATOM 256 CG2 VAL A 19 0.462 10.096 -3.282 1.00 0.00 C ATOM 0 H VAL A 19 1.612 8.777 -5.887 1.00 0.00 H new ATOM 0 HA VAL A 19 0.903 11.606 -5.511 1.00 0.00 H new ATOM 0 HB VAL A 19 2.491 9.670 -3.775 1.00 0.00 H new ATOM 0 HG11 VAL A 19 2.483 11.466 -2.092 1.00 0.00 H new ATOM 0 HG12 VAL A 19 3.357 11.945 -3.567 1.00 0.00 H new ATOM 0 HG13 VAL A 19 1.713 12.558 -3.267 1.00 0.00 H new ATOM 0 HG21 VAL A 19 0.592 9.881 -2.221 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.255 10.908 -3.403 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.090 9.206 -3.789 1.00 0.00 H new ATOM 266 N GLU A 20 3.075 12.573 -6.234 1.00 0.00 N ATOM 267 CA GLU A 20 4.304 13.146 -6.773 1.00 0.00 C ATOM 268 C GLU A 20 5.255 13.546 -5.649 1.00 0.00 C ATOM 269 O GLU A 20 5.050 14.556 -4.976 1.00 0.00 O ATOM 270 CB GLU A 20 3.986 14.362 -7.644 1.00 0.00 C ATOM 271 CG GLU A 20 3.615 14.006 -9.074 1.00 0.00 C ATOM 272 CD GLU A 20 2.133 13.738 -9.243 1.00 0.00 C ATOM 273 OE1 GLU A 20 1.672 12.658 -8.817 1.00 0.00 O ATOM 274 OE2 GLU A 20 1.432 14.608 -9.801 1.00 0.00 O ATOM 0 H GLU A 20 2.317 13.243 -6.108 1.00 0.00 H new ATOM 0 HA GLU A 20 4.791 12.387 -7.385 1.00 0.00 H new ATOM 0 HB2 GLU A 20 3.164 14.917 -7.192 1.00 0.00 H new ATOM 0 HB3 GLU A 20 4.851 15.026 -7.656 1.00 0.00 H new ATOM 0 HG2 GLU A 20 3.911 14.820 -9.735 1.00 0.00 H new ATOM 0 HG3 GLU A 20 4.177 13.125 -9.382 1.00 0.00 H new ATOM 281 N LEU A 21 6.297 12.746 -5.452 1.00 0.00 N ATOM 282 CA LEU A 21 7.282 13.015 -4.409 1.00 0.00 C ATOM 283 C LEU A 21 8.612 13.451 -5.016 1.00 0.00 C ATOM 284 O LEU A 21 9.160 12.776 -5.888 1.00 0.00 O ATOM 285 CB LEU A 21 7.487 11.772 -3.541 1.00 0.00 C ATOM 286 CG LEU A 21 6.427 11.519 -2.469 1.00 0.00 C ATOM 287 CD1 LEU A 21 6.947 10.546 -1.423 1.00 0.00 C ATOM 288 CD2 LEU A 21 6.004 12.828 -1.819 1.00 0.00 C ATOM 0 H LEU A 21 6.482 11.906 -6.000 1.00 0.00 H new ATOM 0 HA LEU A 21 6.904 13.826 -3.787 1.00 0.00 H new ATOM 0 HB2 LEU A 21 7.529 10.900 -4.194 1.00 0.00 H new ATOM 0 HB3 LEU A 21 8.458 11.851 -3.052 1.00 0.00 H new ATOM 0 HG LEU A 21 5.554 11.074 -2.946 1.00 0.00 H new ATOM 0 HD11 LEU A 21 6.179 10.378 -0.668 1.00 0.00 H new ATOM 0 HD12 LEU A 21 7.200 9.599 -1.900 1.00 0.00 H new ATOM 0 HD13 LEU A 21 7.836 10.962 -0.949 1.00 0.00 H new ATOM 0 HD21 LEU A 21 5.249 12.629 -1.058 1.00 0.00 H new ATOM 0 HD22 LEU A 21 6.870 13.301 -1.356 1.00 0.00 H new ATOM 0 HD23 LEU A 21 5.589 13.493 -2.577 1.00 0.00 H new ATOM 300 N VAL A 22 9.127 14.583 -4.548 1.00 0.00 N ATOM 301 CA VAL A 22 10.395 15.108 -5.041 1.00 0.00 C ATOM 302 C VAL A 22 11.563 14.605 -4.200 1.00 0.00 C ATOM 303 O VAL A 22 11.792 15.082 -3.088 1.00 0.00 O ATOM 304 CB VAL A 22 10.402 16.648 -5.042 1.00 0.00 C ATOM 305 CG1 VAL A 22 11.705 17.175 -5.623 1.00 0.00 C ATOM 306 CG2 VAL A 22 9.208 17.186 -5.816 1.00 0.00 C ATOM 0 H VAL A 22 8.686 15.155 -3.828 1.00 0.00 H new ATOM 0 HA VAL A 22 10.509 14.751 -6.065 1.00 0.00 H new ATOM 0 HB VAL A 22 10.324 16.995 -4.012 1.00 0.00 H new ATOM 0 HG11 VAL A 22 11.692 18.265 -5.616 1.00 0.00 H new ATOM 0 HG12 VAL A 22 12.542 16.818 -5.023 1.00 0.00 H new ATOM 0 HG13 VAL A 22 11.816 16.820 -6.648 1.00 0.00 H new ATOM 0 HG21 VAL A 22 9.229 18.276 -5.806 1.00 0.00 H new ATOM 0 HG22 VAL A 22 9.252 16.831 -6.846 1.00 0.00 H new ATOM 0 HG23 VAL A 22 8.286 16.837 -5.351 1.00 0.00 H new ATOM 316 N LYS A 23 12.299 13.639 -4.737 1.00 0.00 N ATOM 317 CA LYS A 23 13.446 13.071 -4.038 1.00 0.00 C ATOM 318 C LYS A 23 14.594 14.074 -3.972 1.00 0.00 C ATOM 319 O LYS A 23 14.663 15.007 -4.772 1.00 0.00 O ATOM 320 CB LYS A 23 13.912 11.791 -4.736 1.00 0.00 C ATOM 321 CG LYS A 23 15.229 11.254 -4.203 1.00 0.00 C ATOM 322 CD LYS A 23 15.463 9.818 -4.641 1.00 0.00 C ATOM 323 CE LYS A 23 16.947 9.500 -4.739 1.00 0.00 C ATOM 324 NZ LYS A 23 17.222 8.056 -4.503 1.00 0.00 N ATOM 0 H LYS A 23 12.122 13.232 -5.655 1.00 0.00 H new ATOM 0 HA LYS A 23 13.138 12.831 -3.020 1.00 0.00 H new ATOM 0 HB2 LYS A 23 13.144 11.025 -4.623 1.00 0.00 H new ATOM 0 HB3 LYS A 23 14.014 11.985 -5.804 1.00 0.00 H new ATOM 0 HG2 LYS A 23 16.048 11.881 -4.555 1.00 0.00 H new ATOM 0 HG3 LYS A 23 15.231 11.308 -3.114 1.00 0.00 H new ATOM 0 HD2 LYS A 23 14.990 9.139 -3.932 1.00 0.00 H new ATOM 0 HD3 LYS A 23 14.989 9.650 -5.608 1.00 0.00 H new ATOM 0 HE2 LYS A 23 17.315 9.783 -5.725 1.00 0.00 H new ATOM 0 HE3 LYS A 23 17.495 10.098 -4.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 18.240 7.918 -4.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 16.693 7.734 -3.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 16.925 7.506 -5.334 1.00 0.00 H new ATOM 338 N ASP A 24 15.493 13.874 -3.015 1.00 0.00 N ATOM 339 CA ASP A 24 16.640 14.759 -2.846 1.00 0.00 C ATOM 340 C ASP A 24 17.924 13.956 -2.666 1.00 0.00 C ATOM 341 O ASP A 24 17.909 12.725 -2.707 1.00 0.00 O ATOM 342 CB ASP A 24 16.427 15.681 -1.645 1.00 0.00 C ATOM 343 CG ASP A 24 16.578 14.953 -0.323 1.00 0.00 C ATOM 344 OD1 ASP A 24 15.879 13.938 -0.122 1.00 0.00 O ATOM 345 OD2 ASP A 24 17.393 15.400 0.511 1.00 0.00 O ATOM 0 H ASP A 24 15.450 13.107 -2.344 1.00 0.00 H new ATOM 0 HA ASP A 24 16.736 15.365 -3.747 1.00 0.00 H new ATOM 0 HB2 ASP A 24 17.143 16.501 -1.689 1.00 0.00 H new ATOM 0 HB3 ASP A 24 15.432 16.123 -1.702 1.00 0.00 H new ATOM 350 N CYS A 25 19.033 14.660 -2.468 1.00 0.00 N ATOM 351 CA CYS A 25 20.327 14.013 -2.284 1.00 0.00 C ATOM 352 C CYS A 25 20.183 12.732 -1.469 1.00 0.00 C ATOM 353 O CYS A 25 20.422 11.633 -1.971 1.00 0.00 O ATOM 354 CB CYS A 25 21.303 14.965 -1.591 1.00 0.00 C ATOM 355 SG CYS A 25 23.036 14.696 -2.033 1.00 0.00 S ATOM 0 H CYS A 25 19.062 15.679 -2.431 1.00 0.00 H new ATOM 0 HA CYS A 25 20.719 13.755 -3.268 1.00 0.00 H new ATOM 0 HB2 CYS A 25 21.031 15.991 -1.839 1.00 0.00 H new ATOM 0 HB3 CYS A 25 21.194 14.858 -0.512 1.00 0.00 H new ATOM 0 HG CYS A 25 23.783 15.550 -1.399 1.00 0.00 H new ATOM 361 N LYS A 26 19.793 12.880 -0.208 1.00 0.00 N ATOM 362 CA LYS A 26 19.617 11.736 0.679 1.00 0.00 C ATOM 363 C LYS A 26 18.648 10.724 0.075 1.00 0.00 C ATOM 364 O LYS A 26 18.944 9.532 0.007 1.00 0.00 O ATOM 365 CB LYS A 26 19.103 12.197 2.045 1.00 0.00 C ATOM 366 CG LYS A 26 17.634 12.585 2.043 1.00 0.00 C ATOM 367 CD LYS A 26 17.204 13.144 3.389 1.00 0.00 C ATOM 368 CE LYS A 26 16.064 14.140 3.239 1.00 0.00 C ATOM 369 NZ LYS A 26 15.833 14.911 4.492 1.00 0.00 N ATOM 0 H LYS A 26 19.592 13.782 0.224 1.00 0.00 H new ATOM 0 HA LYS A 26 20.586 11.254 0.806 1.00 0.00 H new ATOM 0 HB2 LYS A 26 19.258 11.399 2.771 1.00 0.00 H new ATOM 0 HB3 LYS A 26 19.695 13.050 2.378 1.00 0.00 H new ATOM 0 HG2 LYS A 26 17.454 13.327 1.265 1.00 0.00 H new ATOM 0 HG3 LYS A 26 17.027 11.713 1.799 1.00 0.00 H new ATOM 0 HD2 LYS A 26 16.892 12.328 4.041 1.00 0.00 H new ATOM 0 HD3 LYS A 26 18.053 13.630 3.870 1.00 0.00 H new ATOM 0 HE2 LYS A 26 16.288 14.829 2.425 1.00 0.00 H new ATOM 0 HE3 LYS A 26 15.152 13.610 2.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 15.049 15.579 4.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 15.594 14.256 5.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 16.695 15.438 4.740 1.00 0.00 H new ATOM 383 N GLY A 27 17.490 11.208 -0.363 1.00 0.00 N ATOM 384 CA GLY A 27 16.497 10.332 -0.957 1.00 0.00 C ATOM 385 C GLY A 27 15.080 10.739 -0.605 1.00 0.00 C ATOM 386 O GLY A 27 14.657 11.858 -0.899 1.00 0.00 O ATOM 0 H GLY A 27 17.222 12.191 -0.317 1.00 0.00 H new ATOM 0 HA2 GLY A 27 16.615 10.337 -2.041 1.00 0.00 H new ATOM 0 HA3 GLY A 27 16.672 9.310 -0.622 1.00 0.00 H new ATOM 390 N LEU A 28 14.344 9.830 0.024 1.00 0.00 N ATOM 391 CA LEU A 28 12.964 10.100 0.415 1.00 0.00 C ATOM 392 C LEU A 28 12.875 10.438 1.900 1.00 0.00 C ATOM 393 O LEU A 28 13.891 10.528 2.588 1.00 0.00 O ATOM 394 CB LEU A 28 12.079 8.893 0.101 1.00 0.00 C ATOM 395 CG LEU A 28 11.707 8.698 -1.369 1.00 0.00 C ATOM 396 CD1 LEU A 28 11.314 10.024 -2.001 1.00 0.00 C ATOM 397 CD2 LEU A 28 12.861 8.063 -2.131 1.00 0.00 C ATOM 0 H LEU A 28 14.679 8.900 0.274 1.00 0.00 H new ATOM 0 HA LEU A 28 12.612 10.959 -0.156 1.00 0.00 H new ATOM 0 HB2 LEU A 28 12.588 7.994 0.448 1.00 0.00 H new ATOM 0 HB3 LEU A 28 11.159 8.982 0.679 1.00 0.00 H new ATOM 0 HG LEU A 28 10.850 8.027 -1.421 1.00 0.00 H new ATOM 0 HD11 LEU A 28 11.053 9.865 -3.047 1.00 0.00 H new ATOM 0 HD12 LEU A 28 10.456 10.439 -1.472 1.00 0.00 H new ATOM 0 HD13 LEU A 28 12.151 10.719 -1.938 1.00 0.00 H new ATOM 0 HD21 LEU A 28 12.579 7.932 -3.176 1.00 0.00 H new ATOM 0 HD22 LEU A 28 13.737 8.709 -2.070 1.00 0.00 H new ATOM 0 HD23 LEU A 28 13.096 7.093 -1.694 1.00 0.00 H new ATOM 409 N GLY A 29 11.652 10.622 2.387 1.00 0.00 N ATOM 410 CA GLY A 29 11.453 10.946 3.788 1.00 0.00 C ATOM 411 C GLY A 29 10.445 10.031 4.457 1.00 0.00 C ATOM 412 O GLY A 29 9.766 10.431 5.403 1.00 0.00 O ATOM 0 H GLY A 29 10.796 10.553 1.837 1.00 0.00 H new ATOM 0 HA2 GLY A 29 12.406 10.877 4.313 1.00 0.00 H new ATOM 0 HA3 GLY A 29 11.115 11.979 3.875 1.00 0.00 H new ATOM 416 N PHE A 30 10.346 8.802 3.963 1.00 0.00 N ATOM 417 CA PHE A 30 9.411 7.829 4.517 1.00 0.00 C ATOM 418 C PHE A 30 10.046 6.443 4.585 1.00 0.00 C ATOM 419 O PHE A 30 11.156 6.232 4.096 1.00 0.00 O ATOM 420 CB PHE A 30 8.136 7.777 3.674 1.00 0.00 C ATOM 421 CG PHE A 30 8.390 7.508 2.218 1.00 0.00 C ATOM 422 CD1 PHE A 30 8.701 8.544 1.352 1.00 0.00 C ATOM 423 CD2 PHE A 30 8.320 6.219 1.716 1.00 0.00 C ATOM 424 CE1 PHE A 30 8.935 8.299 0.012 1.00 0.00 C ATOM 425 CE2 PHE A 30 8.553 5.967 0.377 1.00 0.00 C ATOM 426 CZ PHE A 30 8.862 7.009 -0.476 1.00 0.00 C ATOM 0 H PHE A 30 10.901 8.456 3.181 1.00 0.00 H new ATOM 0 HA PHE A 30 9.156 8.143 5.529 1.00 0.00 H new ATOM 0 HB2 PHE A 30 7.480 7.001 4.069 1.00 0.00 H new ATOM 0 HB3 PHE A 30 7.606 8.724 3.773 1.00 0.00 H new ATOM 0 HD1 PHE A 30 8.761 9.554 1.728 1.00 0.00 H new ATOM 0 HD2 PHE A 30 8.080 5.401 2.379 1.00 0.00 H new ATOM 0 HE1 PHE A 30 9.175 9.116 -0.653 1.00 0.00 H new ATOM 0 HE2 PHE A 30 8.494 4.957 -0.002 1.00 0.00 H new ATOM 0 HZ PHE A 30 9.046 6.815 -1.522 1.00 0.00 H new ATOM 436 N SER A 31 9.333 5.502 5.196 1.00 0.00 N ATOM 437 CA SER A 31 9.828 4.137 5.333 1.00 0.00 C ATOM 438 C SER A 31 8.831 3.137 4.754 1.00 0.00 C ATOM 439 O SER A 31 7.725 3.506 4.358 1.00 0.00 O ATOM 440 CB SER A 31 10.094 3.813 6.804 1.00 0.00 C ATOM 441 OG SER A 31 11.415 4.170 7.174 1.00 0.00 O ATOM 0 H SER A 31 8.411 5.660 5.604 1.00 0.00 H new ATOM 0 HA SER A 31 10.762 4.058 4.776 1.00 0.00 H new ATOM 0 HB2 SER A 31 9.380 4.346 7.432 1.00 0.00 H new ATOM 0 HB3 SER A 31 9.939 2.748 6.979 1.00 0.00 H new ATOM 0 HG SER A 31 11.560 3.955 8.119 1.00 0.00 H new ATOM 447 N ILE A 32 9.232 1.871 4.707 1.00 0.00 N ATOM 448 CA ILE A 32 8.374 0.818 4.177 1.00 0.00 C ATOM 449 C ILE A 32 8.608 -0.500 4.907 1.00 0.00 C ATOM 450 O ILE A 32 9.656 -0.706 5.519 1.00 0.00 O ATOM 451 CB ILE A 32 8.609 0.606 2.670 1.00 0.00 C ATOM 452 CG1 ILE A 32 10.088 0.801 2.329 1.00 0.00 C ATOM 453 CG2 ILE A 32 7.743 1.560 1.860 1.00 0.00 C ATOM 454 CD1 ILE A 32 10.543 -0.002 1.131 1.00 0.00 C ATOM 0 H ILE A 32 10.145 1.550 5.029 1.00 0.00 H new ATOM 0 HA ILE A 32 7.345 1.140 4.334 1.00 0.00 H new ATOM 0 HB ILE A 32 8.329 -0.416 2.414 1.00 0.00 H new ATOM 0 HG12 ILE A 32 10.272 1.858 2.139 1.00 0.00 H new ATOM 0 HG13 ILE A 32 10.691 0.523 3.193 1.00 0.00 H new ATOM 0 HG21 ILE A 32 7.920 1.398 0.797 1.00 0.00 H new ATOM 0 HG22 ILE A 32 6.692 1.377 2.085 1.00 0.00 H new ATOM 0 HG23 ILE A 32 7.996 2.589 2.118 1.00 0.00 H new ATOM 0 HD11 ILE A 32 11.601 0.186 0.948 1.00 0.00 H new ATOM 0 HD12 ILE A 32 10.391 -1.064 1.326 1.00 0.00 H new ATOM 0 HD13 ILE A 32 9.965 0.293 0.255 1.00 0.00 H new ATOM 466 N LEU A 33 7.625 -1.391 4.836 1.00 0.00 N ATOM 467 CA LEU A 33 7.724 -2.692 5.489 1.00 0.00 C ATOM 468 C LEU A 33 6.850 -3.723 4.782 1.00 0.00 C ATOM 469 O LEU A 33 6.040 -3.380 3.921 1.00 0.00 O ATOM 470 CB LEU A 33 7.314 -2.580 6.958 1.00 0.00 C ATOM 471 CG LEU A 33 5.831 -2.799 7.260 1.00 0.00 C ATOM 472 CD1 LEU A 33 5.604 -2.927 8.758 1.00 0.00 C ATOM 473 CD2 LEU A 33 4.996 -1.662 6.688 1.00 0.00 C ATOM 0 H LEU A 33 6.751 -1.237 4.333 1.00 0.00 H new ATOM 0 HA LEU A 33 8.761 -3.022 5.432 1.00 0.00 H new ATOM 0 HB2 LEU A 33 7.892 -3.304 7.532 1.00 0.00 H new ATOM 0 HB3 LEU A 33 7.595 -1.591 7.318 1.00 0.00 H new ATOM 0 HG LEU A 33 5.517 -3.729 6.785 1.00 0.00 H new ATOM 0 HD11 LEU A 33 4.543 -3.082 8.953 1.00 0.00 H new ATOM 0 HD12 LEU A 33 6.171 -3.775 9.141 1.00 0.00 H new ATOM 0 HD13 LEU A 33 5.935 -2.015 9.255 1.00 0.00 H new ATOM 0 HD21 LEU A 33 3.943 -1.835 6.913 1.00 0.00 H new ATOM 0 HD22 LEU A 33 5.312 -0.719 7.134 1.00 0.00 H new ATOM 0 HD23 LEU A 33 5.134 -1.617 5.608 1.00 0.00 H new ATOM 485 N ASP A 34 7.017 -4.987 5.154 1.00 0.00 N ATOM 486 CA ASP A 34 6.241 -6.069 4.559 1.00 0.00 C ATOM 487 C ASP A 34 5.026 -6.403 5.419 1.00 0.00 C ATOM 488 O ASP A 34 5.048 -6.228 6.637 1.00 0.00 O ATOM 489 CB ASP A 34 7.113 -7.313 4.380 1.00 0.00 C ATOM 490 CG ASP A 34 6.315 -8.598 4.477 1.00 0.00 C ATOM 491 OD1 ASP A 34 5.786 -8.886 5.571 1.00 0.00 O ATOM 492 OD2 ASP A 34 6.221 -9.316 3.460 1.00 0.00 O ATOM 0 H ASP A 34 7.683 -5.288 5.865 1.00 0.00 H new ATOM 0 HA ASP A 34 5.891 -5.737 3.581 1.00 0.00 H new ATOM 0 HB2 ASP A 34 7.609 -7.269 3.410 1.00 0.00 H new ATOM 0 HB3 ASP A 34 7.896 -7.317 5.139 1.00 0.00 H new ATOM 497 N TYR A 35 3.968 -6.885 4.776 1.00 0.00 N ATOM 498 CA TYR A 35 2.742 -7.241 5.481 1.00 0.00 C ATOM 499 C TYR A 35 2.241 -8.614 5.045 1.00 0.00 C ATOM 500 O TYR A 35 2.680 -9.151 4.028 1.00 0.00 O ATOM 501 CB TYR A 35 1.661 -6.188 5.231 1.00 0.00 C ATOM 502 CG TYR A 35 0.671 -6.056 6.366 1.00 0.00 C ATOM 503 CD1 TYR A 35 -0.414 -6.918 6.471 1.00 0.00 C ATOM 504 CD2 TYR A 35 0.819 -5.069 7.333 1.00 0.00 C ATOM 505 CE1 TYR A 35 -1.322 -6.801 7.505 1.00 0.00 C ATOM 506 CE2 TYR A 35 -0.084 -4.945 8.371 1.00 0.00 C ATOM 507 CZ TYR A 35 -1.153 -5.813 8.453 1.00 0.00 C ATOM 508 OH TYR A 35 -2.054 -5.693 9.486 1.00 0.00 O ATOM 0 H TYR A 35 3.935 -7.038 3.768 1.00 0.00 H new ATOM 0 HA TYR A 35 2.964 -7.278 6.547 1.00 0.00 H new ATOM 0 HB2 TYR A 35 2.138 -5.223 5.062 1.00 0.00 H new ATOM 0 HB3 TYR A 35 1.123 -6.442 4.318 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -0.550 -7.693 5.731 1.00 0.00 H new ATOM 0 HD2 TYR A 35 1.654 -4.387 7.272 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -2.160 -7.479 7.571 1.00 0.00 H new ATOM 0 HE2 TYR A 35 0.046 -4.173 9.114 1.00 0.00 H new ATOM 0 HH TYR A 35 -1.790 -4.949 10.066 1.00 0.00 H new ATOM 518 N GLN A 36 1.320 -9.175 5.821 1.00 0.00 N ATOM 519 CA GLN A 36 0.759 -10.485 5.515 1.00 0.00 C ATOM 520 C GLN A 36 -0.764 -10.457 5.591 1.00 0.00 C ATOM 521 O GLN A 36 -1.338 -10.147 6.635 1.00 0.00 O ATOM 522 CB GLN A 36 1.310 -11.537 6.480 1.00 0.00 C ATOM 523 CG GLN A 36 2.568 -12.226 5.976 1.00 0.00 C ATOM 524 CD GLN A 36 2.856 -13.522 6.707 1.00 0.00 C ATOM 525 OE1 GLN A 36 3.924 -13.690 7.298 1.00 0.00 O ATOM 526 NE2 GLN A 36 1.904 -14.447 6.672 1.00 0.00 N ATOM 0 H GLN A 36 0.947 -8.743 6.666 1.00 0.00 H new ATOM 0 HA GLN A 36 1.049 -10.747 4.498 1.00 0.00 H new ATOM 0 HB2 GLN A 36 1.525 -11.063 7.438 1.00 0.00 H new ATOM 0 HB3 GLN A 36 0.542 -12.289 6.662 1.00 0.00 H new ATOM 0 HG2 GLN A 36 2.464 -12.430 4.910 1.00 0.00 H new ATOM 0 HG3 GLN A 36 3.417 -11.552 6.090 1.00 0.00 H new ATOM 0 HE21 GLN A 36 1.035 -14.265 6.170 1.00 0.00 H new ATOM 0 HE22 GLN A 36 2.042 -15.339 7.147 1.00 0.00 H new ATOM 535 N ASP A 37 -1.413 -10.781 4.478 1.00 0.00 N ATOM 536 CA ASP A 37 -2.870 -10.793 4.418 1.00 0.00 C ATOM 537 C ASP A 37 -3.449 -11.741 5.464 1.00 0.00 C ATOM 538 O ASP A 37 -2.931 -12.832 5.703 1.00 0.00 O ATOM 539 CB ASP A 37 -3.341 -11.204 3.023 1.00 0.00 C ATOM 540 CG ASP A 37 -4.793 -10.845 2.772 1.00 0.00 C ATOM 541 OD1 ASP A 37 -5.051 -9.723 2.290 1.00 0.00 O ATOM 542 OD2 ASP A 37 -5.670 -11.686 3.061 1.00 0.00 O ATOM 0 H ASP A 37 -0.953 -11.039 3.605 1.00 0.00 H new ATOM 0 HA ASP A 37 -3.226 -9.785 4.630 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -2.715 -10.719 2.274 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -3.209 -12.279 2.900 1.00 0.00 H new ATOM 547 N PRO A 38 -4.548 -11.316 6.104 1.00 0.00 N ATOM 548 CA PRO A 38 -5.221 -12.112 7.135 1.00 0.00 C ATOM 549 C PRO A 38 -5.913 -13.342 6.558 1.00 0.00 C ATOM 550 O PRO A 38 -6.129 -14.332 7.259 1.00 0.00 O ATOM 551 CB PRO A 38 -6.252 -11.141 7.716 1.00 0.00 C ATOM 552 CG PRO A 38 -6.516 -10.168 6.619 1.00 0.00 C ATOM 553 CD PRO A 38 -5.220 -10.027 5.870 1.00 0.00 C ATOM 0 HA PRO A 38 -4.519 -12.501 7.872 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -7.163 -11.661 8.012 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -5.868 -10.641 8.605 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -7.309 -10.526 5.963 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -6.842 -9.208 7.019 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -5.387 -9.848 4.808 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -4.628 -9.192 6.245 1.00 0.00 H new ATOM 561 N LEU A 39 -6.258 -13.275 5.277 1.00 0.00 N ATOM 562 CA LEU A 39 -6.926 -14.384 4.605 1.00 0.00 C ATOM 563 C LEU A 39 -5.936 -15.190 3.770 1.00 0.00 C ATOM 564 O LEU A 39 -6.136 -16.381 3.531 1.00 0.00 O ATOM 565 CB LEU A 39 -8.055 -13.862 3.715 1.00 0.00 C ATOM 566 CG LEU A 39 -8.854 -12.682 4.268 1.00 0.00 C ATOM 567 CD1 LEU A 39 -9.652 -12.011 3.160 1.00 0.00 C ATOM 568 CD2 LEU A 39 -9.777 -13.141 5.388 1.00 0.00 C ATOM 0 H LEU A 39 -6.086 -12.464 4.683 1.00 0.00 H new ATOM 0 HA LEU A 39 -7.347 -15.038 5.368 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -7.628 -13.569 2.756 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -8.745 -14.683 3.519 1.00 0.00 H new ATOM 0 HG LEU A 39 -8.153 -11.953 4.676 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -10.214 -11.173 3.573 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -8.971 -11.647 2.390 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -10.343 -12.731 2.722 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -10.338 -12.288 5.770 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -10.471 -13.889 5.004 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -9.184 -13.575 6.193 1.00 0.00 H new ATOM 580 N ASP A 40 -4.867 -14.534 3.332 1.00 0.00 N ATOM 581 CA ASP A 40 -3.844 -15.190 2.527 1.00 0.00 C ATOM 582 C ASP A 40 -2.463 -15.008 3.150 1.00 0.00 C ATOM 583 O ASP A 40 -1.766 -14.025 2.897 1.00 0.00 O ATOM 584 CB ASP A 40 -3.852 -14.635 1.102 1.00 0.00 C ATOM 585 CG ASP A 40 -3.410 -15.661 0.078 1.00 0.00 C ATOM 586 OD1 ASP A 40 -3.446 -16.869 0.394 1.00 0.00 O ATOM 587 OD2 ASP A 40 -3.028 -15.257 -1.040 1.00 0.00 O ATOM 0 H ASP A 40 -4.687 -13.548 3.521 1.00 0.00 H new ATOM 0 HA ASP A 40 -4.070 -16.256 2.494 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -4.856 -14.289 0.856 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -3.194 -13.767 1.050 1.00 0.00 H new ATOM 592 N PRO A 41 -2.058 -15.976 3.984 1.00 0.00 N ATOM 593 CA PRO A 41 -0.758 -15.945 4.661 1.00 0.00 C ATOM 594 C PRO A 41 0.404 -16.156 3.695 1.00 0.00 C ATOM 595 O PRO A 41 1.532 -15.745 3.965 1.00 0.00 O ATOM 596 CB PRO A 41 -0.846 -17.108 5.653 1.00 0.00 C ATOM 597 CG PRO A 41 -1.842 -18.041 5.055 1.00 0.00 C ATOM 598 CD PRO A 41 -2.837 -17.177 4.332 1.00 0.00 C ATOM 0 HA PRO A 41 -0.566 -14.980 5.130 1.00 0.00 H new ATOM 0 HB2 PRO A 41 0.122 -17.592 5.783 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -1.165 -16.766 6.637 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -1.361 -18.739 4.370 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -2.330 -18.637 5.826 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -3.229 -17.673 3.444 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -3.691 -16.933 4.964 1.00 0.00 H new ATOM 606 N THR A 42 0.120 -16.800 2.567 1.00 0.00 N ATOM 607 CA THR A 42 1.140 -17.067 1.562 1.00 0.00 C ATOM 608 C THR A 42 1.376 -15.845 0.681 1.00 0.00 C ATOM 609 O THR A 42 2.171 -15.889 -0.258 1.00 0.00 O ATOM 610 CB THR A 42 0.752 -18.261 0.670 1.00 0.00 C ATOM 611 OG1 THR A 42 -0.483 -17.990 -0.002 1.00 0.00 O ATOM 612 CG2 THR A 42 0.618 -19.532 1.496 1.00 0.00 C ATOM 0 H THR A 42 -0.809 -17.146 2.327 1.00 0.00 H new ATOM 0 HA THR A 42 2.057 -17.308 2.099 1.00 0.00 H new ATOM 0 HB THR A 42 1.541 -18.407 -0.067 1.00 0.00 H new ATOM 0 HG1 THR A 42 -0.722 -18.753 -0.568 1.00 0.00 H new ATOM 0 HG21 THR A 42 0.343 -20.362 0.845 1.00 0.00 H new ATOM 0 HG22 THR A 42 1.568 -19.752 1.983 1.00 0.00 H new ATOM 0 HG23 THR A 42 -0.154 -19.394 2.253 1.00 0.00 H new ATOM 620 N ARG A 43 0.681 -14.755 0.990 1.00 0.00 N ATOM 621 CA ARG A 43 0.815 -13.521 0.225 1.00 0.00 C ATOM 622 C ARG A 43 1.281 -12.376 1.119 1.00 0.00 C ATOM 623 O ARG A 43 0.866 -12.267 2.273 1.00 0.00 O ATOM 624 CB ARG A 43 -0.516 -13.158 -0.435 1.00 0.00 C ATOM 625 CG ARG A 43 -0.678 -13.731 -1.834 1.00 0.00 C ATOM 626 CD ARG A 43 -1.723 -12.967 -2.631 1.00 0.00 C ATOM 627 NE ARG A 43 -2.330 -13.793 -3.671 1.00 0.00 N ATOM 628 CZ ARG A 43 -3.097 -13.308 -4.641 1.00 0.00 C ATOM 629 NH1 ARG A 43 -3.349 -12.008 -4.703 1.00 0.00 N ATOM 630 NH2 ARG A 43 -3.613 -14.123 -5.551 1.00 0.00 N ATOM 0 H ARG A 43 0.020 -14.701 1.765 1.00 0.00 H new ATOM 0 HA ARG A 43 1.564 -13.683 -0.550 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -1.332 -13.516 0.192 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -0.604 -12.073 -0.484 1.00 0.00 H new ATOM 0 HG2 ARG A 43 0.278 -13.694 -2.356 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -0.965 -14.780 -1.768 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -2.499 -12.604 -1.957 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -1.262 -12.091 -3.087 1.00 0.00 H new ATOM 0 HE ARG A 43 -2.155 -14.798 -3.652 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -2.954 -11.378 -4.005 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -3.938 -11.638 -5.449 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -3.421 -15.124 -5.507 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -4.202 -13.749 -6.295 1.00 0.00 H new ATOM 644 N SER A 44 2.146 -11.523 0.578 1.00 0.00 N ATOM 645 CA SER A 44 2.671 -10.388 1.328 1.00 0.00 C ATOM 646 C SER A 44 2.496 -9.091 0.544 1.00 0.00 C ATOM 647 O SER A 44 2.454 -9.097 -0.686 1.00 0.00 O ATOM 648 CB SER A 44 4.150 -10.605 1.653 1.00 0.00 C ATOM 649 OG SER A 44 4.854 -11.092 0.523 1.00 0.00 O ATOM 0 H SER A 44 2.498 -11.597 -0.377 1.00 0.00 H new ATOM 0 HA SER A 44 2.110 -10.308 2.259 1.00 0.00 H new ATOM 0 HB2 SER A 44 4.594 -9.667 1.986 1.00 0.00 H new ATOM 0 HB3 SER A 44 4.245 -11.312 2.477 1.00 0.00 H new ATOM 0 HG SER A 44 5.797 -11.221 0.756 1.00 0.00 H new ATOM 655 N VAL A 45 2.393 -7.980 1.266 1.00 0.00 N ATOM 656 CA VAL A 45 2.223 -6.674 0.640 1.00 0.00 C ATOM 657 C VAL A 45 2.987 -5.596 1.401 1.00 0.00 C ATOM 658 O VAL A 45 2.968 -5.560 2.632 1.00 0.00 O ATOM 659 CB VAL A 45 0.736 -6.278 0.564 1.00 0.00 C ATOM 660 CG1 VAL A 45 -0.009 -7.184 -0.404 1.00 0.00 C ATOM 661 CG2 VAL A 45 0.102 -6.323 1.946 1.00 0.00 C ATOM 0 H VAL A 45 2.424 -7.958 2.285 1.00 0.00 H new ATOM 0 HA VAL A 45 2.623 -6.753 -0.371 1.00 0.00 H new ATOM 0 HB VAL A 45 0.668 -5.256 0.192 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -1.058 -6.889 -0.444 1.00 0.00 H new ATOM 0 HG12 VAL A 45 0.431 -7.096 -1.397 1.00 0.00 H new ATOM 0 HG13 VAL A 45 0.065 -8.217 -0.065 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -0.948 -6.040 1.874 1.00 0.00 H new ATOM 0 HG22 VAL A 45 0.179 -7.333 2.349 1.00 0.00 H new ATOM 0 HG23 VAL A 45 0.620 -5.628 2.607 1.00 0.00 H new ATOM 671 N ILE A 46 3.657 -4.720 0.661 1.00 0.00 N ATOM 672 CA ILE A 46 4.426 -3.640 1.266 1.00 0.00 C ATOM 673 C ILE A 46 3.517 -2.499 1.708 1.00 0.00 C ATOM 674 O ILE A 46 2.614 -2.091 0.978 1.00 0.00 O ATOM 675 CB ILE A 46 5.486 -3.090 0.292 1.00 0.00 C ATOM 676 CG1 ILE A 46 6.499 -4.180 -0.063 1.00 0.00 C ATOM 677 CG2 ILE A 46 6.187 -1.884 0.900 1.00 0.00 C ATOM 678 CD1 ILE A 46 7.394 -4.572 1.092 1.00 0.00 C ATOM 0 H ILE A 46 3.683 -4.737 -0.359 1.00 0.00 H new ATOM 0 HA ILE A 46 4.928 -4.059 2.138 1.00 0.00 H new ATOM 0 HB ILE A 46 4.988 -2.773 -0.624 1.00 0.00 H new ATOM 0 HG12 ILE A 46 5.963 -5.062 -0.413 1.00 0.00 H new ATOM 0 HG13 ILE A 46 7.118 -3.834 -0.891 1.00 0.00 H new ATOM 0 HG21 ILE A 46 6.933 -1.506 0.201 1.00 0.00 H new ATOM 0 HG22 ILE A 46 5.455 -1.103 1.106 1.00 0.00 H new ATOM 0 HG23 ILE A 46 6.676 -2.177 1.829 1.00 0.00 H new ATOM 0 HD11 ILE A 46 8.087 -5.349 0.768 1.00 0.00 H new ATOM 0 HD12 ILE A 46 7.957 -3.701 1.428 1.00 0.00 H new ATOM 0 HD13 ILE A 46 6.784 -4.949 1.913 1.00 0.00 H new ATOM 690 N VAL A 47 3.763 -1.985 2.909 1.00 0.00 N ATOM 691 CA VAL A 47 2.969 -0.888 3.449 1.00 0.00 C ATOM 692 C VAL A 47 3.846 0.313 3.785 1.00 0.00 C ATOM 693 O VAL A 47 5.074 0.228 3.743 1.00 0.00 O ATOM 694 CB VAL A 47 2.202 -1.319 4.714 1.00 0.00 C ATOM 695 CG1 VAL A 47 0.874 -0.584 4.810 1.00 0.00 C ATOM 696 CG2 VAL A 47 1.989 -2.826 4.720 1.00 0.00 C ATOM 0 H VAL A 47 4.506 -2.311 3.527 1.00 0.00 H new ATOM 0 HA VAL A 47 2.253 -0.607 2.677 1.00 0.00 H new ATOM 0 HB VAL A 47 2.799 -1.056 5.587 1.00 0.00 H new ATOM 0 HG11 VAL A 47 0.347 -0.901 5.710 1.00 0.00 H new ATOM 0 HG12 VAL A 47 1.055 0.490 4.855 1.00 0.00 H new ATOM 0 HG13 VAL A 47 0.267 -0.813 3.934 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.446 -3.113 5.620 1.00 0.00 H new ATOM 0 HG22 VAL A 47 1.413 -3.116 3.841 1.00 0.00 H new ATOM 0 HG23 VAL A 47 2.955 -3.330 4.703 1.00 0.00 H new ATOM 706 N ILE A 48 3.208 1.430 4.117 1.00 0.00 N ATOM 707 CA ILE A 48 3.931 2.648 4.461 1.00 0.00 C ATOM 708 C ILE A 48 4.303 2.667 5.940 1.00 0.00 C ATOM 709 O ILE A 48 3.525 3.120 6.780 1.00 0.00 O ATOM 710 CB ILE A 48 3.103 3.905 4.135 1.00 0.00 C ATOM 711 CG1 ILE A 48 2.783 3.957 2.640 1.00 0.00 C ATOM 712 CG2 ILE A 48 3.851 5.158 4.566 1.00 0.00 C ATOM 713 CD1 ILE A 48 4.009 4.084 1.763 1.00 0.00 C ATOM 0 H ILE A 48 2.192 1.517 4.155 1.00 0.00 H new ATOM 0 HA ILE A 48 4.840 2.656 3.860 1.00 0.00 H new ATOM 0 HB ILE A 48 2.164 3.858 4.687 1.00 0.00 H new ATOM 0 HG12 ILE A 48 2.239 3.054 2.362 1.00 0.00 H new ATOM 0 HG13 ILE A 48 2.120 4.801 2.448 1.00 0.00 H new ATOM 0 HG21 ILE A 48 3.253 6.038 4.329 1.00 0.00 H new ATOM 0 HG22 ILE A 48 4.033 5.122 5.640 1.00 0.00 H new ATOM 0 HG23 ILE A 48 4.803 5.213 4.038 1.00 0.00 H new ATOM 0 HD11 ILE A 48 3.706 4.115 0.716 1.00 0.00 H new ATOM 0 HD12 ILE A 48 4.542 5.001 2.014 1.00 0.00 H new ATOM 0 HD13 ILE A 48 4.663 3.228 1.926 1.00 0.00 H new ATOM 725 N ARG A 49 5.497 2.175 6.251 1.00 0.00 N ATOM 726 CA ARG A 49 5.973 2.136 7.629 1.00 0.00 C ATOM 727 C ARG A 49 5.618 3.426 8.363 1.00 0.00 C ATOM 728 O ARG A 49 4.845 3.414 9.321 1.00 0.00 O ATOM 729 CB ARG A 49 7.486 1.917 7.662 1.00 0.00 C ATOM 730 CG ARG A 49 8.077 1.960 9.062 1.00 0.00 C ATOM 731 CD ARG A 49 7.839 0.655 9.807 1.00 0.00 C ATOM 732 NE ARG A 49 8.610 0.584 11.045 1.00 0.00 N ATOM 733 CZ ARG A 49 9.909 0.310 11.088 1.00 0.00 C ATOM 734 NH1 ARG A 49 10.579 0.084 9.967 1.00 0.00 N ATOM 735 NH2 ARG A 49 10.540 0.263 12.255 1.00 0.00 N ATOM 0 H ARG A 49 6.153 1.798 5.567 1.00 0.00 H new ATOM 0 HA ARG A 49 5.482 1.304 8.134 1.00 0.00 H new ATOM 0 HB2 ARG A 49 7.715 0.952 7.210 1.00 0.00 H new ATOM 0 HB3 ARG A 49 7.968 2.679 7.050 1.00 0.00 H new ATOM 0 HG2 ARG A 49 9.148 2.155 9.000 1.00 0.00 H new ATOM 0 HG3 ARG A 49 7.634 2.785 9.620 1.00 0.00 H new ATOM 0 HD2 ARG A 49 6.778 0.556 10.035 1.00 0.00 H new ATOM 0 HD3 ARG A 49 8.107 -0.184 9.164 1.00 0.00 H new ATOM 0 HE ARG A 49 8.124 0.754 11.926 1.00 0.00 H new ATOM 0 HH11 ARG A 49 10.097 0.120 9.069 1.00 0.00 H new ATOM 0 HH12 ARG A 49 11.576 -0.126 10.003 1.00 0.00 H new ATOM 0 HH21 ARG A 49 10.027 0.437 13.119 1.00 0.00 H new ATOM 0 HH22 ARG A 49 11.538 0.053 12.287 1.00 0.00 H new ATOM 749 N SER A 50 6.188 4.536 7.907 1.00 0.00 N ATOM 750 CA SER A 50 5.936 5.834 8.523 1.00 0.00 C ATOM 751 C SER A 50 6.616 6.950 7.736 1.00 0.00 C ATOM 752 O SER A 50 7.554 6.707 6.975 1.00 0.00 O ATOM 753 CB SER A 50 6.431 5.840 9.970 1.00 0.00 C ATOM 754 OG SER A 50 5.658 6.718 10.770 1.00 0.00 O ATOM 0 H SER A 50 6.828 4.563 7.113 1.00 0.00 H new ATOM 0 HA SER A 50 4.860 6.010 8.514 1.00 0.00 H new ATOM 0 HB2 SER A 50 6.381 4.831 10.379 1.00 0.00 H new ATOM 0 HB3 SER A 50 7.478 6.144 9.998 1.00 0.00 H new ATOM 0 HG SER A 50 5.993 6.702 11.691 1.00 0.00 H new ATOM 760 N LEU A 51 6.137 8.175 7.924 1.00 0.00 N ATOM 761 CA LEU A 51 6.697 9.330 7.233 1.00 0.00 C ATOM 762 C LEU A 51 7.629 10.115 8.151 1.00 0.00 C ATOM 763 O LEU A 51 7.200 10.663 9.167 1.00 0.00 O ATOM 764 CB LEU A 51 5.576 10.240 6.727 1.00 0.00 C ATOM 765 CG LEU A 51 4.264 9.547 6.358 1.00 0.00 C ATOM 766 CD1 LEU A 51 3.201 10.573 5.998 1.00 0.00 C ATOM 767 CD2 LEU A 51 4.480 8.574 5.208 1.00 0.00 C ATOM 0 H LEU A 51 5.362 8.393 8.550 1.00 0.00 H new ATOM 0 HA LEU A 51 7.275 8.968 6.382 1.00 0.00 H new ATOM 0 HB2 LEU A 51 5.367 10.986 7.494 1.00 0.00 H new ATOM 0 HB3 LEU A 51 5.939 10.777 5.851 1.00 0.00 H new ATOM 0 HG LEU A 51 3.917 8.984 7.224 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.274 10.061 5.738 1.00 0.00 H new ATOM 0 HD12 LEU A 51 3.026 11.230 6.850 1.00 0.00 H new ATOM 0 HD13 LEU A 51 3.540 11.164 5.147 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.536 8.090 4.959 1.00 0.00 H new ATOM 0 HD22 LEU A 51 4.851 9.116 4.338 1.00 0.00 H new ATOM 0 HD23 LEU A 51 5.208 7.818 5.503 1.00 0.00 H new ATOM 779 N VAL A 52 8.906 10.167 7.786 1.00 0.00 N ATOM 780 CA VAL A 52 9.898 10.887 8.575 1.00 0.00 C ATOM 781 C VAL A 52 9.463 12.327 8.823 1.00 0.00 C ATOM 782 O VAL A 52 8.690 12.894 8.051 1.00 0.00 O ATOM 783 CB VAL A 52 11.273 10.890 7.880 1.00 0.00 C ATOM 784 CG1 VAL A 52 12.284 11.678 8.699 1.00 0.00 C ATOM 785 CG2 VAL A 52 11.756 9.465 7.650 1.00 0.00 C ATOM 0 H VAL A 52 9.278 9.719 6.949 1.00 0.00 H new ATOM 0 HA VAL A 52 9.982 10.367 9.529 1.00 0.00 H new ATOM 0 HB VAL A 52 11.169 11.376 6.910 1.00 0.00 H new ATOM 0 HG11 VAL A 52 13.249 11.669 8.192 1.00 0.00 H new ATOM 0 HG12 VAL A 52 11.941 12.707 8.808 1.00 0.00 H new ATOM 0 HG13 VAL A 52 12.387 11.224 9.684 1.00 0.00 H new ATOM 0 HG21 VAL A 52 12.729 9.485 7.158 1.00 0.00 H new ATOM 0 HG22 VAL A 52 11.844 8.952 8.608 1.00 0.00 H new ATOM 0 HG23 VAL A 52 11.042 8.936 7.019 1.00 0.00 H new ATOM 795 N ALA A 53 9.966 12.913 9.904 1.00 0.00 N ATOM 796 CA ALA A 53 9.632 14.289 10.253 1.00 0.00 C ATOM 797 C ALA A 53 9.933 15.237 9.097 1.00 0.00 C ATOM 798 O ALA A 53 11.091 15.425 8.722 1.00 0.00 O ATOM 799 CB ALA A 53 10.391 14.716 11.500 1.00 0.00 C ATOM 0 H ALA A 53 10.606 12.457 10.554 1.00 0.00 H new ATOM 0 HA ALA A 53 8.563 14.337 10.458 1.00 0.00 H new ATOM 0 HB1 ALA A 53 10.132 15.745 11.749 1.00 0.00 H new ATOM 0 HB2 ALA A 53 10.123 14.063 12.331 1.00 0.00 H new ATOM 0 HB3 ALA A 53 11.463 14.646 11.315 1.00 0.00 H new ATOM 805 N ASP A 54 8.886 15.830 8.536 1.00 0.00 N ATOM 806 CA ASP A 54 9.038 16.759 7.422 1.00 0.00 C ATOM 807 C ASP A 54 9.704 16.075 6.231 1.00 0.00 C ATOM 808 O ASP A 54 10.373 16.721 5.426 1.00 0.00 O ATOM 809 CB ASP A 54 9.861 17.974 7.853 1.00 0.00 C ATOM 810 CG ASP A 54 9.020 19.024 8.553 1.00 0.00 C ATOM 811 OD1 ASP A 54 8.139 18.642 9.353 1.00 0.00 O ATOM 812 OD2 ASP A 54 9.242 20.226 8.301 1.00 0.00 O ATOM 0 H ASP A 54 7.922 15.684 8.834 1.00 0.00 H new ATOM 0 HA ASP A 54 8.045 17.091 7.119 1.00 0.00 H new ATOM 0 HB2 ASP A 54 10.661 17.650 8.519 1.00 0.00 H new ATOM 0 HB3 ASP A 54 10.335 18.417 6.977 1.00 0.00 H new ATOM 817 N GLY A 55 9.515 14.763 6.127 1.00 0.00 N ATOM 818 CA GLY A 55 10.105 14.014 5.033 1.00 0.00 C ATOM 819 C GLY A 55 9.363 14.216 3.727 1.00 0.00 C ATOM 820 O GLY A 55 8.162 14.484 3.721 1.00 0.00 O ATOM 0 H GLY A 55 8.964 14.206 6.780 1.00 0.00 H new ATOM 0 HA2 GLY A 55 11.144 14.317 4.908 1.00 0.00 H new ATOM 0 HA3 GLY A 55 10.111 12.953 5.284 1.00 0.00 H new ATOM 824 N VAL A 56 10.081 14.089 2.615 1.00 0.00 N ATOM 825 CA VAL A 56 9.485 14.260 1.296 1.00 0.00 C ATOM 826 C VAL A 56 8.051 13.742 1.269 1.00 0.00 C ATOM 827 O VAL A 56 7.167 14.360 0.678 1.00 0.00 O ATOM 828 CB VAL A 56 10.302 13.534 0.211 1.00 0.00 C ATOM 829 CG1 VAL A 56 9.624 13.662 -1.144 1.00 0.00 C ATOM 830 CG2 VAL A 56 11.722 14.077 0.161 1.00 0.00 C ATOM 0 H VAL A 56 11.077 13.868 2.602 1.00 0.00 H new ATOM 0 HA VAL A 56 9.486 15.329 1.085 1.00 0.00 H new ATOM 0 HB VAL A 56 10.352 12.475 0.466 1.00 0.00 H new ATOM 0 HG11 VAL A 56 10.216 13.143 -1.898 1.00 0.00 H new ATOM 0 HG12 VAL A 56 8.629 13.220 -1.096 1.00 0.00 H new ATOM 0 HG13 VAL A 56 9.540 14.715 -1.411 1.00 0.00 H new ATOM 0 HG21 VAL A 56 12.285 13.553 -0.611 1.00 0.00 H new ATOM 0 HG22 VAL A 56 11.696 15.142 -0.069 1.00 0.00 H new ATOM 0 HG23 VAL A 56 12.204 13.926 1.127 1.00 0.00 H new ATOM 840 N ALA A 57 7.828 12.602 1.915 1.00 0.00 N ATOM 841 CA ALA A 57 6.502 12.000 1.968 1.00 0.00 C ATOM 842 C ALA A 57 5.482 12.972 2.552 1.00 0.00 C ATOM 843 O ALA A 57 4.521 13.352 1.883 1.00 0.00 O ATOM 844 CB ALA A 57 6.536 10.716 2.783 1.00 0.00 C ATOM 0 H ALA A 57 8.549 12.077 2.409 1.00 0.00 H new ATOM 0 HA ALA A 57 6.198 11.762 0.949 1.00 0.00 H new ATOM 0 HB1 ALA A 57 5.538 10.278 2.814 1.00 0.00 H new ATOM 0 HB2 ALA A 57 7.228 10.011 2.322 1.00 0.00 H new ATOM 0 HB3 ALA A 57 6.866 10.938 3.798 1.00 0.00 H new ATOM 850 N GLU A 58 5.697 13.369 3.802 1.00 0.00 N ATOM 851 CA GLU A 58 4.794 14.295 4.475 1.00 0.00 C ATOM 852 C GLU A 58 4.745 15.634 3.745 1.00 0.00 C ATOM 853 O GLU A 58 3.672 16.199 3.534 1.00 0.00 O ATOM 854 CB GLU A 58 5.234 14.509 5.925 1.00 0.00 C ATOM 855 CG GLU A 58 4.181 15.183 6.788 1.00 0.00 C ATOM 856 CD GLU A 58 4.278 16.695 6.753 1.00 0.00 C ATOM 857 OE1 GLU A 58 5.318 17.233 7.190 1.00 0.00 O ATOM 858 OE2 GLU A 58 3.316 17.342 6.289 1.00 0.00 O ATOM 0 H GLU A 58 6.488 13.064 4.369 1.00 0.00 H new ATOM 0 HA GLU A 58 3.795 13.859 4.466 1.00 0.00 H new ATOM 0 HB2 GLU A 58 5.489 13.545 6.364 1.00 0.00 H new ATOM 0 HB3 GLU A 58 6.141 15.113 5.935 1.00 0.00 H new ATOM 0 HG2 GLU A 58 3.190 14.878 6.450 1.00 0.00 H new ATOM 0 HG3 GLU A 58 4.286 14.840 7.817 1.00 0.00 H new ATOM 865 N ARG A 59 5.914 16.136 3.361 1.00 0.00 N ATOM 866 CA ARG A 59 6.005 17.408 2.656 1.00 0.00 C ATOM 867 C ARG A 59 4.946 17.501 1.561 1.00 0.00 C ATOM 868 O ARG A 59 4.130 18.422 1.550 1.00 0.00 O ATOM 869 CB ARG A 59 7.398 17.580 2.047 1.00 0.00 C ATOM 870 CG ARG A 59 8.479 17.876 3.074 1.00 0.00 C ATOM 871 CD ARG A 59 9.827 18.112 2.412 1.00 0.00 C ATOM 872 NE ARG A 59 10.671 19.013 3.193 1.00 0.00 N ATOM 873 CZ ARG A 59 10.607 20.337 3.111 1.00 0.00 C ATOM 874 NH1 ARG A 59 9.743 20.912 2.286 1.00 0.00 N ATOM 875 NH2 ARG A 59 11.408 21.089 3.854 1.00 0.00 N ATOM 0 H ARG A 59 6.812 15.681 3.527 1.00 0.00 H new ATOM 0 HA ARG A 59 5.829 18.206 3.377 1.00 0.00 H new ATOM 0 HB2 ARG A 59 7.663 16.672 1.504 1.00 0.00 H new ATOM 0 HB3 ARG A 59 7.369 18.390 1.318 1.00 0.00 H new ATOM 0 HG2 ARG A 59 8.199 18.755 3.655 1.00 0.00 H new ATOM 0 HG3 ARG A 59 8.556 17.043 3.773 1.00 0.00 H new ATOM 0 HD2 ARG A 59 10.339 17.158 2.282 1.00 0.00 H new ATOM 0 HD3 ARG A 59 9.674 18.530 1.417 1.00 0.00 H new ATOM 0 HE ARG A 59 11.347 18.602 3.837 1.00 0.00 H new ATOM 0 HH11 ARG A 59 9.126 20.337 1.713 1.00 0.00 H new ATOM 0 HH12 ARG A 59 9.696 21.929 2.225 1.00 0.00 H new ATOM 0 HH21 ARG A 59 12.074 20.651 4.490 1.00 0.00 H new ATOM 0 HH22 ARG A 59 11.358 22.106 3.790 1.00 0.00 H new ATOM 889 N SER A 60 4.965 16.540 0.643 1.00 0.00 N ATOM 890 CA SER A 60 4.009 16.515 -0.458 1.00 0.00 C ATOM 891 C SER A 60 2.577 16.525 0.067 1.00 0.00 C ATOM 892 O SER A 60 1.735 17.287 -0.408 1.00 0.00 O ATOM 893 CB SER A 60 4.237 15.279 -1.331 1.00 0.00 C ATOM 894 OG SER A 60 3.706 14.117 -0.717 1.00 0.00 O ATOM 0 H SER A 60 5.632 15.768 0.640 1.00 0.00 H new ATOM 0 HA SER A 60 4.162 17.410 -1.061 1.00 0.00 H new ATOM 0 HB2 SER A 60 3.769 15.426 -2.305 1.00 0.00 H new ATOM 0 HB3 SER A 60 5.304 15.146 -1.507 1.00 0.00 H new ATOM 0 HG SER A 60 4.100 14.008 0.174 1.00 0.00 H new ATOM 900 N GLY A 61 2.307 15.671 1.050 1.00 0.00 N ATOM 901 CA GLY A 61 0.976 15.596 1.623 1.00 0.00 C ATOM 902 C GLY A 61 0.085 14.611 0.893 1.00 0.00 C ATOM 903 O GLY A 61 -1.068 14.913 0.589 1.00 0.00 O ATOM 0 H GLY A 61 2.986 15.030 1.460 1.00 0.00 H new ATOM 0 HA2 GLY A 61 1.051 15.306 2.671 1.00 0.00 H new ATOM 0 HA3 GLY A 61 0.517 16.584 1.598 1.00 0.00 H new ATOM 907 N GLY A 62 0.621 13.428 0.609 1.00 0.00 N ATOM 908 CA GLY A 62 -0.147 12.414 -0.089 1.00 0.00 C ATOM 909 C GLY A 62 0.015 11.038 0.525 1.00 0.00 C ATOM 910 O GLY A 62 -0.927 10.245 0.549 1.00 0.00 O ATOM 0 H GLY A 62 1.573 13.154 0.850 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -1.201 12.691 -0.079 1.00 0.00 H new ATOM 0 HA3 GLY A 62 0.165 12.381 -1.133 1.00 0.00 H new ATOM 914 N LEU A 63 1.213 10.752 1.023 1.00 0.00 N ATOM 915 CA LEU A 63 1.497 9.460 1.640 1.00 0.00 C ATOM 916 C LEU A 63 1.103 9.463 3.114 1.00 0.00 C ATOM 917 O LEU A 63 1.022 10.518 3.744 1.00 0.00 O ATOM 918 CB LEU A 63 2.981 9.120 1.497 1.00 0.00 C ATOM 919 CG LEU A 63 3.390 8.434 0.193 1.00 0.00 C ATOM 920 CD1 LEU A 63 3.313 9.411 -0.970 1.00 0.00 C ATOM 921 CD2 LEU A 63 4.792 7.854 0.313 1.00 0.00 C ATOM 0 H LEU A 63 2.003 11.397 1.012 1.00 0.00 H new ATOM 0 HA LEU A 63 0.906 8.701 1.127 1.00 0.00 H new ATOM 0 HB2 LEU A 63 3.555 10.041 1.595 1.00 0.00 H new ATOM 0 HB3 LEU A 63 3.267 8.476 2.328 1.00 0.00 H new ATOM 0 HG LEU A 63 2.695 7.616 0.001 1.00 0.00 H new ATOM 0 HD11 LEU A 63 3.607 8.906 -1.890 1.00 0.00 H new ATOM 0 HD12 LEU A 63 2.292 9.779 -1.069 1.00 0.00 H new ATOM 0 HD13 LEU A 63 3.985 10.250 -0.786 1.00 0.00 H new ATOM 0 HD21 LEU A 63 5.067 7.370 -0.624 1.00 0.00 H new ATOM 0 HD22 LEU A 63 5.500 8.654 0.529 1.00 0.00 H new ATOM 0 HD23 LEU A 63 4.815 7.122 1.120 1.00 0.00 H new ATOM 933 N LEU A 64 0.862 8.275 3.658 1.00 0.00 N ATOM 934 CA LEU A 64 0.479 8.139 5.059 1.00 0.00 C ATOM 935 C LEU A 64 0.836 6.755 5.590 1.00 0.00 C ATOM 936 O LEU A 64 0.882 5.772 4.849 1.00 0.00 O ATOM 937 CB LEU A 64 -1.021 8.390 5.225 1.00 0.00 C ATOM 938 CG LEU A 64 -1.483 9.837 5.047 1.00 0.00 C ATOM 939 CD1 LEU A 64 -3.002 9.915 5.037 1.00 0.00 C ATOM 940 CD2 LEU A 64 -0.910 10.719 6.147 1.00 0.00 C ATOM 0 H LEU A 64 0.925 7.393 3.150 1.00 0.00 H new ATOM 0 HA LEU A 64 1.032 8.882 5.634 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -1.555 7.768 4.506 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -1.317 8.055 6.219 1.00 0.00 H new ATOM 0 HG LEU A 64 -1.114 10.200 4.088 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -3.312 10.952 4.909 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.392 9.316 4.214 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -3.392 9.533 5.980 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -1.249 11.745 6.004 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -1.249 10.356 7.118 1.00 0.00 H new ATOM 0 HD23 LEU A 64 0.179 10.688 6.108 1.00 0.00 H new ATOM 952 N PRO A 65 1.094 6.672 6.903 1.00 0.00 N ATOM 953 CA PRO A 65 1.449 5.412 7.563 1.00 0.00 C ATOM 954 C PRO A 65 0.273 4.443 7.633 1.00 0.00 C ATOM 955 O PRO A 65 -0.739 4.726 8.272 1.00 0.00 O ATOM 956 CB PRO A 65 1.864 5.852 8.969 1.00 0.00 C ATOM 957 CG PRO A 65 1.143 7.137 9.192 1.00 0.00 C ATOM 958 CD PRO A 65 1.058 7.803 7.846 1.00 0.00 C ATOM 0 HA PRO A 65 2.228 4.875 7.023 1.00 0.00 H new ATOM 0 HB2 PRO A 65 1.586 5.107 9.715 1.00 0.00 H new ATOM 0 HB3 PRO A 65 2.943 5.986 9.039 1.00 0.00 H new ATOM 0 HG2 PRO A 65 0.149 6.961 9.604 1.00 0.00 H new ATOM 0 HG3 PRO A 65 1.677 7.765 9.905 1.00 0.00 H new ATOM 0 HD2 PRO A 65 0.141 8.384 7.742 1.00 0.00 H new ATOM 0 HD3 PRO A 65 1.890 8.488 7.683 1.00 0.00 H new ATOM 966 N GLY A 66 0.415 3.299 6.971 1.00 0.00 N ATOM 967 CA GLY A 66 -0.644 2.306 6.972 1.00 0.00 C ATOM 968 C GLY A 66 -1.102 1.946 5.573 1.00 0.00 C ATOM 969 O GLY A 66 -1.631 0.857 5.347 1.00 0.00 O ATOM 0 H GLY A 66 1.244 3.042 6.434 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -0.294 1.407 7.479 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -1.492 2.684 7.543 1.00 0.00 H new ATOM 973 N ASP A 67 -0.900 2.861 4.632 1.00 0.00 N ATOM 974 CA ASP A 67 -1.297 2.635 3.247 1.00 0.00 C ATOM 975 C ASP A 67 -0.381 1.614 2.579 1.00 0.00 C ATOM 976 O ASP A 67 0.787 1.480 2.945 1.00 0.00 O ATOM 977 CB ASP A 67 -1.271 3.949 2.466 1.00 0.00 C ATOM 978 CG ASP A 67 -2.141 5.017 3.099 1.00 0.00 C ATOM 979 OD1 ASP A 67 -2.844 4.703 4.083 1.00 0.00 O ATOM 980 OD2 ASP A 67 -2.119 6.166 2.612 1.00 0.00 O ATOM 0 H ASP A 67 -0.463 3.767 4.803 1.00 0.00 H new ATOM 0 HA ASP A 67 -2.313 2.241 3.246 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -0.245 4.311 2.404 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -1.608 3.768 1.445 1.00 0.00 H new ATOM 985 N ARG A 68 -0.919 0.895 1.599 1.00 0.00 N ATOM 986 CA ARG A 68 -0.152 -0.116 0.882 1.00 0.00 C ATOM 987 C ARG A 68 0.476 0.471 -0.379 1.00 0.00 C ATOM 988 O ARG A 68 -0.199 1.129 -1.172 1.00 0.00 O ATOM 989 CB ARG A 68 -1.046 -1.301 0.516 1.00 0.00 C ATOM 990 CG ARG A 68 -0.295 -2.454 -0.129 1.00 0.00 C ATOM 991 CD ARG A 68 -1.175 -3.214 -1.109 1.00 0.00 C ATOM 992 NE ARG A 68 -0.419 -4.208 -1.866 1.00 0.00 N ATOM 993 CZ ARG A 68 -0.959 -4.994 -2.791 1.00 0.00 C ATOM 994 NH1 ARG A 68 -2.251 -4.901 -3.072 1.00 0.00 N ATOM 995 NH2 ARG A 68 -0.206 -5.874 -3.438 1.00 0.00 N ATOM 0 H ARG A 68 -1.884 0.994 1.283 1.00 0.00 H new ATOM 0 HA ARG A 68 0.647 -0.462 1.537 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -1.544 -1.661 1.416 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -1.826 -0.960 -0.165 1.00 0.00 H new ATOM 0 HG2 ARG A 68 0.584 -2.072 -0.648 1.00 0.00 H new ATOM 0 HG3 ARG A 68 0.062 -3.134 0.644 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -1.980 -3.708 -0.565 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -1.641 -2.510 -1.799 1.00 0.00 H new ATOM 0 HE ARG A 68 0.578 -4.304 -1.674 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -2.833 -4.225 -2.578 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -2.663 -5.506 -3.783 1.00 0.00 H new ATOM 0 HH21 ARG A 68 0.789 -5.948 -3.225 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -0.622 -6.477 -4.148 1.00 0.00 H new ATOM 1009 N LEU A 69 1.770 0.230 -0.557 1.00 0.00 N ATOM 1010 CA LEU A 69 2.489 0.735 -1.721 1.00 0.00 C ATOM 1011 C LEU A 69 2.429 -0.263 -2.873 1.00 0.00 C ATOM 1012 O LEU A 69 2.759 -1.438 -2.708 1.00 0.00 O ATOM 1013 CB LEU A 69 3.947 1.025 -1.358 1.00 0.00 C ATOM 1014 CG LEU A 69 4.859 1.427 -2.517 1.00 0.00 C ATOM 1015 CD1 LEU A 69 4.258 2.590 -3.292 1.00 0.00 C ATOM 1016 CD2 LEU A 69 6.246 1.786 -2.004 1.00 0.00 C ATOM 0 H LEU A 69 2.343 -0.312 0.090 1.00 0.00 H new ATOM 0 HA LEU A 69 2.009 1.660 -2.041 1.00 0.00 H new ATOM 0 HB2 LEU A 69 3.964 1.822 -0.615 1.00 0.00 H new ATOM 0 HB3 LEU A 69 4.366 0.138 -0.883 1.00 0.00 H new ATOM 0 HG LEU A 69 4.952 0.577 -3.193 1.00 0.00 H new ATOM 0 HD11 LEU A 69 4.922 2.862 -4.113 1.00 0.00 H new ATOM 0 HD12 LEU A 69 3.287 2.298 -3.692 1.00 0.00 H new ATOM 0 HD13 LEU A 69 4.134 3.445 -2.627 1.00 0.00 H new ATOM 0 HD21 LEU A 69 6.882 2.070 -2.843 1.00 0.00 H new ATOM 0 HD22 LEU A 69 6.171 2.620 -1.307 1.00 0.00 H new ATOM 0 HD23 LEU A 69 6.680 0.925 -1.495 1.00 0.00 H new ATOM 1028 N VAL A 70 2.008 0.213 -4.040 1.00 0.00 N ATOM 1029 CA VAL A 70 1.908 -0.637 -5.221 1.00 0.00 C ATOM 1030 C VAL A 70 3.228 -0.677 -5.982 1.00 0.00 C ATOM 1031 O VAL A 70 3.767 -1.750 -6.255 1.00 0.00 O ATOM 1032 CB VAL A 70 0.796 -0.151 -6.170 1.00 0.00 C ATOM 1033 CG1 VAL A 70 0.570 -1.157 -7.288 1.00 0.00 C ATOM 1034 CG2 VAL A 70 -0.491 0.098 -5.397 1.00 0.00 C ATOM 0 H VAL A 70 1.731 1.183 -4.193 1.00 0.00 H new ATOM 0 HA VAL A 70 1.663 -1.639 -4.870 1.00 0.00 H new ATOM 0 HB VAL A 70 1.111 0.790 -6.620 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -0.219 -0.796 -7.948 1.00 0.00 H new ATOM 0 HG12 VAL A 70 1.491 -1.281 -7.858 1.00 0.00 H new ATOM 0 HG13 VAL A 70 0.276 -2.116 -6.861 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -1.266 0.441 -6.082 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -0.813 -0.827 -4.918 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -0.317 0.859 -4.636 1.00 0.00 H new ATOM 1044 N SER A 71 3.745 0.499 -6.323 1.00 0.00 N ATOM 1045 CA SER A 71 5.001 0.599 -7.057 1.00 0.00 C ATOM 1046 C SER A 71 5.668 1.949 -6.810 1.00 0.00 C ATOM 1047 O SER A 71 5.071 2.852 -6.225 1.00 0.00 O ATOM 1048 CB SER A 71 4.759 0.403 -8.555 1.00 0.00 C ATOM 1049 OG SER A 71 3.588 1.082 -8.975 1.00 0.00 O ATOM 0 H SER A 71 3.313 1.396 -6.103 1.00 0.00 H new ATOM 0 HA SER A 71 5.666 -0.187 -6.699 1.00 0.00 H new ATOM 0 HB2 SER A 71 5.618 0.771 -9.117 1.00 0.00 H new ATOM 0 HB3 SER A 71 4.666 -0.660 -8.776 1.00 0.00 H new ATOM 0 HG SER A 71 3.456 0.943 -9.936 1.00 0.00 H new ATOM 1055 N VAL A 72 6.912 2.078 -7.262 1.00 0.00 N ATOM 1056 CA VAL A 72 7.662 3.317 -7.092 1.00 0.00 C ATOM 1057 C VAL A 72 8.510 3.619 -8.322 1.00 0.00 C ATOM 1058 O VAL A 72 9.506 2.946 -8.582 1.00 0.00 O ATOM 1059 CB VAL A 72 8.576 3.255 -5.854 1.00 0.00 C ATOM 1060 CG1 VAL A 72 9.501 4.461 -5.812 1.00 0.00 C ATOM 1061 CG2 VAL A 72 7.745 3.166 -4.583 1.00 0.00 C ATOM 0 H VAL A 72 7.421 1.340 -7.748 1.00 0.00 H new ATOM 0 HA VAL A 72 6.930 4.113 -6.954 1.00 0.00 H new ATOM 0 HB VAL A 72 9.191 2.358 -5.923 1.00 0.00 H new ATOM 0 HG11 VAL A 72 10.139 4.400 -4.930 1.00 0.00 H new ATOM 0 HG12 VAL A 72 10.121 4.475 -6.708 1.00 0.00 H new ATOM 0 HG13 VAL A 72 8.907 5.374 -5.767 1.00 0.00 H new ATOM 0 HG21 VAL A 72 8.407 3.123 -3.718 1.00 0.00 H new ATOM 0 HG22 VAL A 72 7.103 4.044 -4.506 1.00 0.00 H new ATOM 0 HG23 VAL A 72 7.129 2.267 -4.613 1.00 0.00 H new ATOM 1071 N ASN A 73 8.108 4.637 -9.076 1.00 0.00 N ATOM 1072 CA ASN A 73 8.832 5.028 -10.280 1.00 0.00 C ATOM 1073 C ASN A 73 8.804 3.911 -11.319 1.00 0.00 C ATOM 1074 O ASN A 73 9.809 3.635 -11.974 1.00 0.00 O ATOM 1075 CB ASN A 73 10.280 5.385 -9.937 1.00 0.00 C ATOM 1076 CG ASN A 73 10.449 6.854 -9.601 1.00 0.00 C ATOM 1077 OD1 ASN A 73 9.550 7.482 -9.042 1.00 0.00 O ATOM 1078 ND2 ASN A 73 11.607 7.409 -9.941 1.00 0.00 N ATOM 0 H ASN A 73 7.285 5.206 -8.875 1.00 0.00 H new ATOM 0 HA ASN A 73 8.339 5.904 -10.701 1.00 0.00 H new ATOM 0 HB2 ASN A 73 10.610 4.781 -9.091 1.00 0.00 H new ATOM 0 HB3 ASN A 73 10.923 5.131 -10.780 1.00 0.00 H new ATOM 0 HD21 ASN A 73 11.779 8.394 -9.740 1.00 0.00 H new ATOM 0 HD22 ASN A 73 12.324 6.850 -10.403 1.00 0.00 H new ATOM 1085 N GLU A 74 7.647 3.274 -11.465 1.00 0.00 N ATOM 1086 CA GLU A 74 7.489 2.187 -12.424 1.00 0.00 C ATOM 1087 C GLU A 74 8.171 0.917 -11.924 1.00 0.00 C ATOM 1088 O GLU A 74 8.963 0.302 -12.638 1.00 0.00 O ATOM 1089 CB GLU A 74 8.067 2.589 -13.783 1.00 0.00 C ATOM 1090 CG GLU A 74 7.470 1.820 -14.949 1.00 0.00 C ATOM 1091 CD GLU A 74 7.815 2.436 -16.291 1.00 0.00 C ATOM 1092 OE1 GLU A 74 9.009 2.720 -16.525 1.00 0.00 O ATOM 1093 OE2 GLU A 74 6.892 2.633 -17.108 1.00 0.00 O ATOM 0 H GLU A 74 6.805 3.492 -10.932 1.00 0.00 H new ATOM 0 HA GLU A 74 6.423 1.986 -12.535 1.00 0.00 H new ATOM 0 HB2 GLU A 74 7.901 3.655 -13.938 1.00 0.00 H new ATOM 0 HB3 GLU A 74 9.146 2.433 -13.770 1.00 0.00 H new ATOM 0 HG2 GLU A 74 7.829 0.791 -14.923 1.00 0.00 H new ATOM 0 HG3 GLU A 74 6.386 1.783 -14.838 1.00 0.00 H new ATOM 1100 N TYR A 75 7.857 0.531 -10.692 1.00 0.00 N ATOM 1101 CA TYR A 75 8.441 -0.664 -10.094 1.00 0.00 C ATOM 1102 C TYR A 75 7.384 -1.472 -9.347 1.00 0.00 C ATOM 1103 O TYR A 75 6.951 -1.092 -8.259 1.00 0.00 O ATOM 1104 CB TYR A 75 9.575 -0.281 -9.141 1.00 0.00 C ATOM 1105 CG TYR A 75 10.922 -0.167 -9.818 1.00 0.00 C ATOM 1106 CD1 TYR A 75 11.717 -1.289 -10.020 1.00 0.00 C ATOM 1107 CD2 TYR A 75 11.401 1.062 -10.254 1.00 0.00 C ATOM 1108 CE1 TYR A 75 12.949 -1.190 -10.637 1.00 0.00 C ATOM 1109 CE2 TYR A 75 12.631 1.170 -10.873 1.00 0.00 C ATOM 1110 CZ TYR A 75 13.401 0.042 -11.062 1.00 0.00 C ATOM 1111 OH TYR A 75 14.628 0.146 -11.677 1.00 0.00 O ATOM 0 H TYR A 75 7.202 1.028 -10.088 1.00 0.00 H new ATOM 0 HA TYR A 75 8.843 -1.282 -10.897 1.00 0.00 H new ATOM 0 HB2 TYR A 75 9.334 0.671 -8.667 1.00 0.00 H new ATOM 0 HB3 TYR A 75 9.638 -1.025 -8.347 1.00 0.00 H new ATOM 0 HD1 TYR A 75 11.365 -2.255 -9.689 1.00 0.00 H new ATOM 0 HD2 TYR A 75 10.801 1.948 -10.106 1.00 0.00 H new ATOM 0 HE1 TYR A 75 13.555 -2.072 -10.786 1.00 0.00 H new ATOM 0 HE2 TYR A 75 12.988 2.133 -11.207 1.00 0.00 H new ATOM 0 HH TYR A 75 14.796 1.082 -11.916 1.00 0.00 H new ATOM 1121 N CYS A 76 6.974 -2.588 -9.939 1.00 0.00 N ATOM 1122 CA CYS A 76 5.967 -3.450 -9.331 1.00 0.00 C ATOM 1123 C CYS A 76 6.484 -4.055 -8.030 1.00 0.00 C ATOM 1124 O CYS A 76 7.269 -5.005 -8.042 1.00 0.00 O ATOM 1125 CB CYS A 76 5.566 -4.563 -10.301 1.00 0.00 C ATOM 1126 SG CYS A 76 6.949 -5.577 -10.874 1.00 0.00 S ATOM 0 H CYS A 76 7.323 -2.917 -10.839 1.00 0.00 H new ATOM 0 HA CYS A 76 5.091 -2.842 -9.105 1.00 0.00 H new ATOM 0 HB2 CYS A 76 4.834 -5.208 -9.815 1.00 0.00 H new ATOM 0 HB3 CYS A 76 5.074 -4.117 -11.165 1.00 0.00 H new ATOM 0 HG CYS A 76 7.713 -5.878 -9.866 1.00 0.00 H new ATOM 1132 N LEU A 77 6.041 -3.499 -6.908 1.00 0.00 N ATOM 1133 CA LEU A 77 6.460 -3.982 -5.597 1.00 0.00 C ATOM 1134 C LEU A 77 5.421 -4.931 -5.009 1.00 0.00 C ATOM 1135 O LEU A 77 5.208 -4.961 -3.797 1.00 0.00 O ATOM 1136 CB LEU A 77 6.687 -2.805 -4.647 1.00 0.00 C ATOM 1137 CG LEU A 77 7.618 -1.703 -5.154 1.00 0.00 C ATOM 1138 CD1 LEU A 77 7.750 -0.597 -4.118 1.00 0.00 C ATOM 1139 CD2 LEU A 77 8.984 -2.277 -5.501 1.00 0.00 C ATOM 0 H LEU A 77 5.391 -2.713 -6.880 1.00 0.00 H new ATOM 0 HA LEU A 77 7.395 -4.528 -5.720 1.00 0.00 H new ATOM 0 HB2 LEU A 77 5.720 -2.358 -4.417 1.00 0.00 H new ATOM 0 HB3 LEU A 77 7.091 -3.192 -3.711 1.00 0.00 H new ATOM 0 HG LEU A 77 7.185 -1.276 -6.058 1.00 0.00 H new ATOM 0 HD11 LEU A 77 8.416 0.178 -4.496 1.00 0.00 H new ATOM 0 HD12 LEU A 77 6.769 -0.166 -3.918 1.00 0.00 H new ATOM 0 HD13 LEU A 77 8.160 -1.009 -3.196 1.00 0.00 H new ATOM 0 HD21 LEU A 77 9.634 -1.479 -5.860 1.00 0.00 H new ATOM 0 HD22 LEU A 77 9.424 -2.731 -4.613 1.00 0.00 H new ATOM 0 HD23 LEU A 77 8.874 -3.033 -6.279 1.00 0.00 H new ATOM 1151 N ASP A 78 4.778 -5.707 -5.876 1.00 0.00 N ATOM 1152 CA ASP A 78 3.764 -6.661 -5.442 1.00 0.00 C ATOM 1153 C ASP A 78 4.407 -7.958 -4.963 1.00 0.00 C ATOM 1154 O ASP A 78 5.145 -8.607 -5.704 1.00 0.00 O ATOM 1155 CB ASP A 78 2.787 -6.951 -6.582 1.00 0.00 C ATOM 1156 CG ASP A 78 2.296 -5.688 -7.261 1.00 0.00 C ATOM 1157 OD1 ASP A 78 1.298 -5.108 -6.785 1.00 0.00 O ATOM 1158 OD2 ASP A 78 2.911 -5.278 -8.268 1.00 0.00 O ATOM 0 H ASP A 78 4.941 -5.694 -6.883 1.00 0.00 H new ATOM 0 HA ASP A 78 3.217 -6.220 -4.609 1.00 0.00 H new ATOM 0 HB2 ASP A 78 3.273 -7.590 -7.319 1.00 0.00 H new ATOM 0 HB3 ASP A 78 1.933 -7.506 -6.192 1.00 0.00 H new ATOM 1163 N ASN A 79 4.123 -8.330 -3.719 1.00 0.00 N ATOM 1164 CA ASN A 79 4.675 -9.549 -3.141 1.00 0.00 C ATOM 1165 C ASN A 79 6.197 -9.477 -3.069 1.00 0.00 C ATOM 1166 O ASN A 79 6.887 -10.486 -3.219 1.00 0.00 O ATOM 1167 CB ASN A 79 4.249 -10.767 -3.964 1.00 0.00 C ATOM 1168 CG ASN A 79 2.825 -11.195 -3.668 1.00 0.00 C ATOM 1169 OD1 ASN A 79 2.584 -12.306 -3.196 1.00 0.00 O ATOM 1170 ND2 ASN A 79 1.872 -10.313 -3.947 1.00 0.00 N ATOM 0 H ASN A 79 3.514 -7.804 -3.092 1.00 0.00 H new ATOM 0 HA ASN A 79 4.286 -9.649 -2.128 1.00 0.00 H new ATOM 0 HB2 ASN A 79 4.343 -10.536 -5.025 1.00 0.00 H new ATOM 0 HB3 ASN A 79 4.925 -11.596 -3.757 1.00 0.00 H new ATOM 0 HD21 ASN A 79 0.895 -10.545 -3.771 1.00 0.00 H new ATOM 0 HD22 ASN A 79 2.118 -9.403 -4.338 1.00 0.00 H new ATOM 1177 N THR A 80 6.717 -8.275 -2.839 1.00 0.00 N ATOM 1178 CA THR A 80 8.157 -8.069 -2.748 1.00 0.00 C ATOM 1179 C THR A 80 8.625 -8.092 -1.297 1.00 0.00 C ATOM 1180 O THR A 80 7.884 -7.712 -0.390 1.00 0.00 O ATOM 1181 CB THR A 80 8.575 -6.733 -3.389 1.00 0.00 C ATOM 1182 OG1 THR A 80 8.213 -6.720 -4.775 1.00 0.00 O ATOM 1183 CG2 THR A 80 10.074 -6.511 -3.249 1.00 0.00 C ATOM 0 H THR A 80 6.161 -7.429 -2.712 1.00 0.00 H new ATOM 0 HA THR A 80 8.628 -8.887 -3.292 1.00 0.00 H new ATOM 0 HB THR A 80 8.054 -5.928 -2.870 1.00 0.00 H new ATOM 0 HG1 THR A 80 8.845 -6.160 -5.273 1.00 0.00 H new ATOM 0 HG21 THR A 80 10.346 -5.561 -3.709 1.00 0.00 H new ATOM 0 HG22 THR A 80 10.342 -6.492 -2.193 1.00 0.00 H new ATOM 0 HG23 THR A 80 10.610 -7.321 -3.745 1.00 0.00 H new ATOM 1191 N SER A 81 9.858 -8.539 -1.085 1.00 0.00 N ATOM 1192 CA SER A 81 10.424 -8.614 0.257 1.00 0.00 C ATOM 1193 C SER A 81 10.974 -7.259 0.691 1.00 0.00 C ATOM 1194 O SER A 81 11.605 -6.551 -0.095 1.00 0.00 O ATOM 1195 CB SER A 81 11.533 -9.667 0.307 1.00 0.00 C ATOM 1196 OG SER A 81 10.992 -10.973 0.414 1.00 0.00 O ATOM 0 H SER A 81 10.485 -8.855 -1.825 1.00 0.00 H new ATOM 0 HA SER A 81 9.629 -8.901 0.945 1.00 0.00 H new ATOM 0 HB2 SER A 81 12.146 -9.597 -0.591 1.00 0.00 H new ATOM 0 HB3 SER A 81 12.187 -9.470 1.156 1.00 0.00 H new ATOM 0 HG SER A 81 11.721 -11.628 0.442 1.00 0.00 H new ATOM 1202 N LEU A 82 10.730 -6.904 1.948 1.00 0.00 N ATOM 1203 CA LEU A 82 11.200 -5.634 2.489 1.00 0.00 C ATOM 1204 C LEU A 82 12.565 -5.270 1.916 1.00 0.00 C ATOM 1205 O LEU A 82 12.765 -4.162 1.417 1.00 0.00 O ATOM 1206 CB LEU A 82 11.277 -5.704 4.015 1.00 0.00 C ATOM 1207 CG LEU A 82 11.943 -4.516 4.709 1.00 0.00 C ATOM 1208 CD1 LEU A 82 11.223 -3.222 4.360 1.00 0.00 C ATOM 1209 CD2 LEU A 82 11.967 -4.723 6.217 1.00 0.00 C ATOM 0 H LEU A 82 10.209 -7.478 2.611 1.00 0.00 H new ATOM 0 HA LEU A 82 10.488 -4.860 2.203 1.00 0.00 H new ATOM 0 HB2 LEU A 82 10.264 -5.806 4.405 1.00 0.00 H new ATOM 0 HB3 LEU A 82 11.818 -6.610 4.290 1.00 0.00 H new ATOM 0 HG LEU A 82 12.971 -4.444 4.355 1.00 0.00 H new ATOM 0 HD11 LEU A 82 11.711 -2.387 4.863 1.00 0.00 H new ATOM 0 HD12 LEU A 82 11.257 -3.066 3.282 1.00 0.00 H new ATOM 0 HD13 LEU A 82 10.184 -3.284 4.685 1.00 0.00 H new ATOM 0 HD21 LEU A 82 12.445 -3.867 6.694 1.00 0.00 H new ATOM 0 HD22 LEU A 82 10.946 -4.822 6.587 1.00 0.00 H new ATOM 0 HD23 LEU A 82 12.527 -5.628 6.451 1.00 0.00 H new ATOM 1221 N ALA A 83 13.502 -6.210 1.988 1.00 0.00 N ATOM 1222 CA ALA A 83 14.847 -5.989 1.473 1.00 0.00 C ATOM 1223 C ALA A 83 14.807 -5.440 0.051 1.00 0.00 C ATOM 1224 O ALA A 83 15.443 -4.432 -0.252 1.00 0.00 O ATOM 1225 CB ALA A 83 15.649 -7.282 1.519 1.00 0.00 C ATOM 0 H ALA A 83 13.354 -7.132 2.398 1.00 0.00 H new ATOM 0 HA ALA A 83 15.335 -5.249 2.107 1.00 0.00 H new ATOM 0 HB1 ALA A 83 16.652 -7.102 1.131 1.00 0.00 H new ATOM 0 HB2 ALA A 83 15.716 -7.632 2.549 1.00 0.00 H new ATOM 0 HB3 ALA A 83 15.155 -8.039 0.910 1.00 0.00 H new ATOM 1231 N GLU A 84 14.056 -6.111 -0.817 1.00 0.00 N ATOM 1232 CA GLU A 84 13.935 -5.690 -2.208 1.00 0.00 C ATOM 1233 C GLU A 84 13.296 -4.307 -2.304 1.00 0.00 C ATOM 1234 O GLU A 84 13.767 -3.444 -3.044 1.00 0.00 O ATOM 1235 CB GLU A 84 13.107 -6.703 -3.001 1.00 0.00 C ATOM 1236 CG GLU A 84 13.933 -7.830 -3.598 1.00 0.00 C ATOM 1237 CD GLU A 84 13.200 -8.570 -4.699 1.00 0.00 C ATOM 1238 OE1 GLU A 84 12.553 -7.902 -5.533 1.00 0.00 O ATOM 1239 OE2 GLU A 84 13.272 -9.816 -4.728 1.00 0.00 O ATOM 0 H GLU A 84 13.523 -6.948 -0.582 1.00 0.00 H new ATOM 0 HA GLU A 84 14.937 -5.639 -2.634 1.00 0.00 H new ATOM 0 HB2 GLU A 84 12.346 -7.129 -2.347 1.00 0.00 H new ATOM 0 HB3 GLU A 84 12.584 -6.183 -3.803 1.00 0.00 H new ATOM 0 HG2 GLU A 84 14.863 -7.423 -3.996 1.00 0.00 H new ATOM 0 HG3 GLU A 84 14.204 -8.533 -2.811 1.00 0.00 H new ATOM 1246 N ALA A 85 12.221 -4.105 -1.549 1.00 0.00 N ATOM 1247 CA ALA A 85 11.518 -2.829 -1.548 1.00 0.00 C ATOM 1248 C ALA A 85 12.465 -1.680 -1.219 1.00 0.00 C ATOM 1249 O ALA A 85 12.473 -0.654 -1.899 1.00 0.00 O ATOM 1250 CB ALA A 85 10.363 -2.863 -0.557 1.00 0.00 C ATOM 0 H ALA A 85 11.818 -4.809 -0.930 1.00 0.00 H new ATOM 0 HA ALA A 85 11.120 -2.662 -2.549 1.00 0.00 H new ATOM 0 HB1 ALA A 85 9.847 -1.903 -0.567 1.00 0.00 H new ATOM 0 HB2 ALA A 85 9.666 -3.653 -0.837 1.00 0.00 H new ATOM 0 HB3 ALA A 85 10.748 -3.058 0.444 1.00 0.00 H new ATOM 1256 N VAL A 86 13.264 -1.860 -0.171 1.00 0.00 N ATOM 1257 CA VAL A 86 14.216 -0.838 0.248 1.00 0.00 C ATOM 1258 C VAL A 86 15.252 -0.573 -0.839 1.00 0.00 C ATOM 1259 O VAL A 86 15.575 0.577 -1.135 1.00 0.00 O ATOM 1260 CB VAL A 86 14.942 -1.245 1.544 1.00 0.00 C ATOM 1261 CG1 VAL A 86 15.988 -0.207 1.919 1.00 0.00 C ATOM 1262 CG2 VAL A 86 13.942 -1.439 2.675 1.00 0.00 C ATOM 0 H VAL A 86 13.271 -2.703 0.403 1.00 0.00 H new ATOM 0 HA VAL A 86 13.644 0.072 0.431 1.00 0.00 H new ATOM 0 HB VAL A 86 15.452 -2.193 1.372 1.00 0.00 H new ATOM 0 HG11 VAL A 86 16.490 -0.512 2.837 1.00 0.00 H new ATOM 0 HG12 VAL A 86 16.720 -0.122 1.116 1.00 0.00 H new ATOM 0 HG13 VAL A 86 15.504 0.758 2.073 1.00 0.00 H new ATOM 0 HG21 VAL A 86 14.471 -1.726 3.583 1.00 0.00 H new ATOM 0 HG22 VAL A 86 13.403 -0.507 2.848 1.00 0.00 H new ATOM 0 HG23 VAL A 86 13.234 -2.222 2.404 1.00 0.00 H new ATOM 1272 N GLU A 87 15.768 -1.646 -1.431 1.00 0.00 N ATOM 1273 CA GLU A 87 16.768 -1.529 -2.486 1.00 0.00 C ATOM 1274 C GLU A 87 16.201 -0.788 -3.693 1.00 0.00 C ATOM 1275 O GLU A 87 16.930 -0.108 -4.416 1.00 0.00 O ATOM 1276 CB GLU A 87 17.261 -2.914 -2.909 1.00 0.00 C ATOM 1277 CG GLU A 87 18.338 -3.481 -2.000 1.00 0.00 C ATOM 1278 CD GLU A 87 19.197 -4.522 -2.691 1.00 0.00 C ATOM 1279 OE1 GLU A 87 18.641 -5.550 -3.133 1.00 0.00 O ATOM 1280 OE2 GLU A 87 20.423 -4.310 -2.791 1.00 0.00 O ATOM 0 H GLU A 87 15.510 -2.605 -1.198 1.00 0.00 H new ATOM 0 HA GLU A 87 17.609 -0.957 -2.092 1.00 0.00 H new ATOM 0 HB2 GLU A 87 16.415 -3.601 -2.928 1.00 0.00 H new ATOM 0 HB3 GLU A 87 17.649 -2.857 -3.926 1.00 0.00 H new ATOM 0 HG2 GLU A 87 18.973 -2.669 -1.645 1.00 0.00 H new ATOM 0 HG3 GLU A 87 17.870 -3.926 -1.122 1.00 0.00 H new ATOM 1287 N ILE A 88 14.897 -0.925 -3.905 1.00 0.00 N ATOM 1288 CA ILE A 88 14.231 -0.269 -5.023 1.00 0.00 C ATOM 1289 C ILE A 88 14.113 1.233 -4.788 1.00 0.00 C ATOM 1290 O ILE A 88 14.338 2.035 -5.696 1.00 0.00 O ATOM 1291 CB ILE A 88 12.826 -0.852 -5.264 1.00 0.00 C ATOM 1292 CG1 ILE A 88 12.929 -2.245 -5.888 1.00 0.00 C ATOM 1293 CG2 ILE A 88 12.013 0.075 -6.154 1.00 0.00 C ATOM 1294 CD1 ILE A 88 11.781 -3.159 -5.519 1.00 0.00 C ATOM 0 H ILE A 88 14.280 -1.485 -3.317 1.00 0.00 H new ATOM 0 HA ILE A 88 14.845 -0.449 -5.905 1.00 0.00 H new ATOM 0 HB ILE A 88 12.316 -0.941 -4.305 1.00 0.00 H new ATOM 0 HG12 ILE A 88 12.970 -2.146 -6.973 1.00 0.00 H new ATOM 0 HG13 ILE A 88 13.865 -2.706 -5.574 1.00 0.00 H new ATOM 0 HG21 ILE A 88 11.023 -0.351 -6.315 1.00 0.00 H new ATOM 0 HG22 ILE A 88 11.916 1.048 -5.673 1.00 0.00 H new ATOM 0 HG23 ILE A 88 12.517 0.193 -7.113 1.00 0.00 H new ATOM 0 HD11 ILE A 88 11.920 -4.129 -5.997 1.00 0.00 H new ATOM 0 HD12 ILE A 88 11.752 -3.288 -4.437 1.00 0.00 H new ATOM 0 HD13 ILE A 88 10.843 -2.719 -5.857 1.00 0.00 H new ATOM 1306 N LEU A 89 13.759 1.608 -3.564 1.00 0.00 N ATOM 1307 CA LEU A 89 13.612 3.015 -3.207 1.00 0.00 C ATOM 1308 C LEU A 89 14.969 3.709 -3.159 1.00 0.00 C ATOM 1309 O LEU A 89 15.064 4.924 -3.337 1.00 0.00 O ATOM 1310 CB LEU A 89 12.911 3.148 -1.854 1.00 0.00 C ATOM 1311 CG LEU A 89 11.385 3.250 -1.896 1.00 0.00 C ATOM 1312 CD1 LEU A 89 10.793 2.957 -0.527 1.00 0.00 C ATOM 1313 CD2 LEU A 89 10.956 4.627 -2.382 1.00 0.00 C ATOM 0 H LEU A 89 13.568 0.958 -2.802 1.00 0.00 H new ATOM 0 HA LEU A 89 13.005 3.497 -3.973 1.00 0.00 H new ATOM 0 HB2 LEU A 89 13.181 2.288 -1.241 1.00 0.00 H new ATOM 0 HB3 LEU A 89 13.301 4.033 -1.351 1.00 0.00 H new ATOM 0 HG LEU A 89 11.009 2.506 -2.598 1.00 0.00 H new ATOM 0 HD11 LEU A 89 9.707 3.034 -0.576 1.00 0.00 H new ATOM 0 HD12 LEU A 89 11.072 1.949 -0.218 1.00 0.00 H new ATOM 0 HD13 LEU A 89 11.176 3.677 0.196 1.00 0.00 H new ATOM 0 HD21 LEU A 89 9.868 4.682 -2.406 1.00 0.00 H new ATOM 0 HD22 LEU A 89 11.343 5.389 -1.705 1.00 0.00 H new ATOM 0 HD23 LEU A 89 11.350 4.798 -3.384 1.00 0.00 H new ATOM 1325 N LYS A 90 16.019 2.930 -2.920 1.00 0.00 N ATOM 1326 CA LYS A 90 17.372 3.468 -2.852 1.00 0.00 C ATOM 1327 C LYS A 90 18.000 3.538 -4.241 1.00 0.00 C ATOM 1328 O LYS A 90 18.844 4.393 -4.508 1.00 0.00 O ATOM 1329 CB LYS A 90 18.240 2.607 -1.931 1.00 0.00 C ATOM 1330 CG LYS A 90 17.887 2.743 -0.461 1.00 0.00 C ATOM 1331 CD LYS A 90 18.179 1.463 0.304 1.00 0.00 C ATOM 1332 CE LYS A 90 19.652 1.354 0.667 1.00 0.00 C ATOM 1333 NZ LYS A 90 20.093 -0.064 0.775 1.00 0.00 N ATOM 0 H LYS A 90 15.958 1.923 -2.770 1.00 0.00 H new ATOM 0 HA LYS A 90 17.315 4.478 -2.447 1.00 0.00 H new ATOM 0 HB2 LYS A 90 18.141 1.562 -2.225 1.00 0.00 H new ATOM 0 HB3 LYS A 90 19.286 2.880 -2.072 1.00 0.00 H new ATOM 0 HG2 LYS A 90 18.453 3.566 -0.025 1.00 0.00 H new ATOM 0 HG3 LYS A 90 16.831 2.995 -0.361 1.00 0.00 H new ATOM 0 HD2 LYS A 90 17.576 1.435 1.212 1.00 0.00 H new ATOM 0 HD3 LYS A 90 17.887 0.603 -0.299 1.00 0.00 H new ATOM 0 HE2 LYS A 90 20.251 1.864 -0.088 1.00 0.00 H new ATOM 0 HE3 LYS A 90 19.831 1.863 1.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 21.102 -0.096 1.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 19.539 -0.545 1.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 19.946 -0.544 -0.136 1.00 0.00 H new ATOM 1347 N ALA A 91 17.581 2.635 -5.121 1.00 0.00 N ATOM 1348 CA ALA A 91 18.099 2.598 -6.483 1.00 0.00 C ATOM 1349 C ALA A 91 17.397 3.623 -7.366 1.00 0.00 C ATOM 1350 O ALA A 91 17.935 4.049 -8.388 1.00 0.00 O ATOM 1351 CB ALA A 91 17.947 1.201 -7.067 1.00 0.00 C ATOM 0 H ALA A 91 16.884 1.919 -4.915 1.00 0.00 H new ATOM 0 HA ALA A 91 19.158 2.853 -6.450 1.00 0.00 H new ATOM 0 HB1 ALA A 91 18.338 1.187 -8.084 1.00 0.00 H new ATOM 0 HB2 ALA A 91 18.501 0.489 -6.456 1.00 0.00 H new ATOM 0 HB3 ALA A 91 16.893 0.925 -7.080 1.00 0.00 H new ATOM 1357 N VAL A 92 16.191 4.014 -6.967 1.00 0.00 N ATOM 1358 CA VAL A 92 15.415 4.990 -7.722 1.00 0.00 C ATOM 1359 C VAL A 92 16.149 6.323 -7.816 1.00 0.00 C ATOM 1360 O VAL A 92 16.706 6.823 -6.838 1.00 0.00 O ATOM 1361 CB VAL A 92 14.032 5.222 -7.086 1.00 0.00 C ATOM 1362 CG1 VAL A 92 14.154 6.093 -5.845 1.00 0.00 C ATOM 1363 CG2 VAL A 92 13.079 5.847 -8.094 1.00 0.00 C ATOM 0 H VAL A 92 15.730 3.670 -6.125 1.00 0.00 H new ATOM 0 HA VAL A 92 15.282 4.581 -8.723 1.00 0.00 H new ATOM 0 HB VAL A 92 13.624 4.257 -6.785 1.00 0.00 H new ATOM 0 HG11 VAL A 92 13.167 6.246 -5.409 1.00 0.00 H new ATOM 0 HG12 VAL A 92 14.799 5.601 -5.117 1.00 0.00 H new ATOM 0 HG13 VAL A 92 14.583 7.057 -6.118 1.00 0.00 H new ATOM 0 HG21 VAL A 92 12.107 6.004 -7.627 1.00 0.00 H new ATOM 0 HG22 VAL A 92 13.479 6.804 -8.428 1.00 0.00 H new ATOM 0 HG23 VAL A 92 12.967 5.182 -8.950 1.00 0.00 H new ATOM 1373 N PRO A 93 16.151 6.915 -9.019 1.00 0.00 N ATOM 1374 CA PRO A 93 16.812 8.199 -9.269 1.00 0.00 C ATOM 1375 C PRO A 93 16.096 9.362 -8.590 1.00 0.00 C ATOM 1376 O PRO A 93 14.911 9.287 -8.263 1.00 0.00 O ATOM 1377 CB PRO A 93 16.742 8.344 -10.791 1.00 0.00 C ATOM 1378 CG PRO A 93 15.564 7.526 -11.196 1.00 0.00 C ATOM 1379 CD PRO A 93 15.507 6.376 -10.229 1.00 0.00 C ATOM 0 HA PRO A 93 17.827 8.219 -8.871 1.00 0.00 H new ATOM 0 HB2 PRO A 93 16.619 9.387 -11.084 1.00 0.00 H new ATOM 0 HB3 PRO A 93 17.655 7.985 -11.265 1.00 0.00 H new ATOM 0 HG2 PRO A 93 14.648 8.115 -11.157 1.00 0.00 H new ATOM 0 HG3 PRO A 93 15.670 7.170 -12.221 1.00 0.00 H new ATOM 0 HD2 PRO A 93 14.480 6.066 -10.034 1.00 0.00 H new ATOM 0 HD3 PRO A 93 16.036 5.503 -10.611 1.00 0.00 H new ATOM 1387 N PRO A 94 16.830 10.463 -8.372 1.00 0.00 N ATOM 1388 CA PRO A 94 16.284 11.663 -7.730 1.00 0.00 C ATOM 1389 C PRO A 94 15.279 12.389 -8.617 1.00 0.00 C ATOM 1390 O PRO A 94 15.115 12.053 -9.789 1.00 0.00 O ATOM 1391 CB PRO A 94 17.521 12.535 -7.499 1.00 0.00 C ATOM 1392 CG PRO A 94 18.496 12.092 -8.534 1.00 0.00 C ATOM 1393 CD PRO A 94 18.248 10.622 -8.735 1.00 0.00 C ATOM 0 HA PRO A 94 15.737 11.424 -6.818 1.00 0.00 H new ATOM 0 HB2 PRO A 94 17.284 13.594 -7.606 1.00 0.00 H new ATOM 0 HB3 PRO A 94 17.920 12.397 -6.494 1.00 0.00 H new ATOM 0 HG2 PRO A 94 18.355 12.642 -9.464 1.00 0.00 H new ATOM 0 HG3 PRO A 94 19.520 12.274 -8.209 1.00 0.00 H new ATOM 0 HD2 PRO A 94 18.435 10.320 -9.765 1.00 0.00 H new ATOM 0 HD3 PRO A 94 18.895 10.015 -8.102 1.00 0.00 H new ATOM 1401 N GLY A 95 14.609 13.388 -8.051 1.00 0.00 N ATOM 1402 CA GLY A 95 13.628 14.146 -8.806 1.00 0.00 C ATOM 1403 C GLY A 95 12.214 13.648 -8.583 1.00 0.00 C ATOM 1404 O GLY A 95 11.956 12.882 -7.653 1.00 0.00 O ATOM 0 H GLY A 95 14.728 13.686 -7.083 1.00 0.00 H new ATOM 0 HA2 GLY A 95 13.689 15.197 -8.523 1.00 0.00 H new ATOM 0 HA3 GLY A 95 13.867 14.088 -9.868 1.00 0.00 H new ATOM 1408 N LEU A 96 11.294 14.084 -9.437 1.00 0.00 N ATOM 1409 CA LEU A 96 9.897 13.679 -9.329 1.00 0.00 C ATOM 1410 C LEU A 96 9.781 12.171 -9.131 1.00 0.00 C ATOM 1411 O LEU A 96 10.367 11.389 -9.879 1.00 0.00 O ATOM 1412 CB LEU A 96 9.125 14.102 -10.580 1.00 0.00 C ATOM 1413 CG LEU A 96 7.607 14.212 -10.426 1.00 0.00 C ATOM 1414 CD1 LEU A 96 7.017 12.883 -9.983 1.00 0.00 C ATOM 1415 CD2 LEU A 96 7.250 15.312 -9.437 1.00 0.00 C ATOM 0 H LEU A 96 11.491 14.718 -10.212 1.00 0.00 H new ATOM 0 HA LEU A 96 9.467 14.175 -8.459 1.00 0.00 H new ATOM 0 HB2 LEU A 96 9.508 15.068 -10.910 1.00 0.00 H new ATOM 0 HB3 LEU A 96 9.339 13.387 -11.374 1.00 0.00 H new ATOM 0 HG LEU A 96 7.181 14.470 -11.396 1.00 0.00 H new ATOM 0 HD11 LEU A 96 5.936 12.981 -9.879 1.00 0.00 H new ATOM 0 HD12 LEU A 96 7.242 12.119 -10.727 1.00 0.00 H new ATOM 0 HD13 LEU A 96 7.449 12.594 -9.025 1.00 0.00 H new ATOM 0 HD21 LEU A 96 6.166 15.376 -9.340 1.00 0.00 H new ATOM 0 HD22 LEU A 96 7.689 15.084 -8.465 1.00 0.00 H new ATOM 0 HD23 LEU A 96 7.639 16.265 -9.796 1.00 0.00 H new ATOM 1427 N VAL A 97 9.019 11.769 -8.118 1.00 0.00 N ATOM 1428 CA VAL A 97 8.823 10.355 -7.824 1.00 0.00 C ATOM 1429 C VAL A 97 7.354 9.966 -7.950 1.00 0.00 C ATOM 1430 O VAL A 97 6.524 10.356 -7.128 1.00 0.00 O ATOM 1431 CB VAL A 97 9.315 10.003 -6.407 1.00 0.00 C ATOM 1432 CG1 VAL A 97 9.015 8.547 -6.084 1.00 0.00 C ATOM 1433 CG2 VAL A 97 10.803 10.291 -6.275 1.00 0.00 C ATOM 0 H VAL A 97 8.528 12.403 -7.488 1.00 0.00 H new ATOM 0 HA VAL A 97 9.408 9.796 -8.554 1.00 0.00 H new ATOM 0 HB VAL A 97 8.781 10.626 -5.690 1.00 0.00 H new ATOM 0 HG11 VAL A 97 9.370 8.317 -5.079 1.00 0.00 H new ATOM 0 HG12 VAL A 97 7.940 8.377 -6.137 1.00 0.00 H new ATOM 0 HG13 VAL A 97 9.520 7.903 -6.804 1.00 0.00 H new ATOM 0 HG21 VAL A 97 11.135 10.037 -5.268 1.00 0.00 H new ATOM 0 HG22 VAL A 97 11.355 9.694 -7.001 1.00 0.00 H new ATOM 0 HG23 VAL A 97 10.987 11.349 -6.461 1.00 0.00 H new ATOM 1443 N HIS A 98 7.039 9.193 -8.985 1.00 0.00 N ATOM 1444 CA HIS A 98 5.670 8.749 -9.219 1.00 0.00 C ATOM 1445 C HIS A 98 5.432 7.373 -8.605 1.00 0.00 C ATOM 1446 O HIS A 98 5.806 6.351 -9.183 1.00 0.00 O ATOM 1447 CB HIS A 98 5.373 8.710 -10.719 1.00 0.00 C ATOM 1448 CG HIS A 98 5.201 10.066 -11.331 1.00 0.00 C ATOM 1449 ND1 HIS A 98 5.955 10.512 -12.395 1.00 0.00 N ATOM 1450 CD2 HIS A 98 4.352 11.075 -11.023 1.00 0.00 C ATOM 1451 CE1 HIS A 98 5.579 11.738 -12.715 1.00 0.00 C ATOM 1452 NE2 HIS A 98 4.607 12.102 -11.898 1.00 0.00 N ATOM 0 H HIS A 98 7.713 8.861 -9.675 1.00 0.00 H new ATOM 0 HA HIS A 98 4.997 9.461 -8.742 1.00 0.00 H new ATOM 0 HB2 HIS A 98 6.185 8.191 -11.228 1.00 0.00 H new ATOM 0 HB3 HIS A 98 4.467 8.127 -10.887 1.00 0.00 H new ATOM 0 HD2 HIS A 98 3.612 11.072 -10.236 1.00 0.00 H new ATOM 0 HE1 HIS A 98 5.996 12.340 -13.509 1.00 0.00 H new ATOM 0 HE2 HIS A 98 4.124 13.000 -11.914 1.00 0.00 H new ATOM 1461 N LEU A 99 4.810 7.353 -7.432 1.00 0.00 N ATOM 1462 CA LEU A 99 4.523 6.102 -6.739 1.00 0.00 C ATOM 1463 C LEU A 99 3.051 6.021 -6.349 1.00 0.00 C ATOM 1464 O LEU A 99 2.461 7.004 -5.901 1.00 0.00 O ATOM 1465 CB LEU A 99 5.400 5.974 -5.492 1.00 0.00 C ATOM 1466 CG LEU A 99 5.392 7.170 -4.539 1.00 0.00 C ATOM 1467 CD1 LEU A 99 4.294 7.014 -3.498 1.00 0.00 C ATOM 1468 CD2 LEU A 99 6.748 7.327 -3.868 1.00 0.00 C ATOM 0 H LEU A 99 4.494 8.189 -6.940 1.00 0.00 H new ATOM 0 HA LEU A 99 4.746 5.280 -7.419 1.00 0.00 H new ATOM 0 HB2 LEU A 99 5.081 5.091 -4.938 1.00 0.00 H new ATOM 0 HB3 LEU A 99 6.427 5.796 -5.811 1.00 0.00 H new ATOM 0 HG LEU A 99 5.190 8.071 -5.118 1.00 0.00 H new ATOM 0 HD11 LEU A 99 4.303 7.874 -2.828 1.00 0.00 H new ATOM 0 HD12 LEU A 99 3.326 6.952 -3.996 1.00 0.00 H new ATOM 0 HD13 LEU A 99 4.465 6.104 -2.923 1.00 0.00 H new ATOM 0 HD21 LEU A 99 6.723 8.183 -3.194 1.00 0.00 H new ATOM 0 HD22 LEU A 99 6.980 6.425 -3.301 1.00 0.00 H new ATOM 0 HD23 LEU A 99 7.514 7.485 -4.627 1.00 0.00 H new ATOM 1480 N GLY A 100 2.462 4.841 -6.520 1.00 0.00 N ATOM 1481 CA GLY A 100 1.064 4.653 -6.179 1.00 0.00 C ATOM 1482 C GLY A 100 0.866 4.301 -4.718 1.00 0.00 C ATOM 1483 O GLY A 100 1.767 3.762 -4.075 1.00 0.00 O ATOM 0 H GLY A 100 2.928 4.012 -6.889 1.00 0.00 H new ATOM 0 HA2 GLY A 100 0.512 5.564 -6.408 1.00 0.00 H new ATOM 0 HA3 GLY A 100 0.645 3.862 -6.800 1.00 0.00 H new ATOM 1487 N ILE A 101 -0.315 4.608 -4.192 1.00 0.00 N ATOM 1488 CA ILE A 101 -0.627 4.321 -2.798 1.00 0.00 C ATOM 1489 C ILE A 101 -2.064 3.833 -2.646 1.00 0.00 C ATOM 1490 O ILE A 101 -2.915 4.100 -3.495 1.00 0.00 O ATOM 1491 CB ILE A 101 -0.422 5.561 -1.908 1.00 0.00 C ATOM 1492 CG1 ILE A 101 0.978 6.142 -2.120 1.00 0.00 C ATOM 1493 CG2 ILE A 101 -0.638 5.205 -0.445 1.00 0.00 C ATOM 1494 CD1 ILE A 101 2.086 5.254 -1.597 1.00 0.00 C ATOM 0 H ILE A 101 -1.071 5.055 -4.710 1.00 0.00 H new ATOM 0 HA ILE A 101 0.058 3.536 -2.477 1.00 0.00 H new ATOM 0 HB ILE A 101 -1.155 6.317 -2.189 1.00 0.00 H new ATOM 0 HG12 ILE A 101 1.134 6.314 -3.185 1.00 0.00 H new ATOM 0 HG13 ILE A 101 1.038 7.113 -1.628 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -0.489 6.092 0.171 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -1.653 4.833 -0.307 1.00 0.00 H new ATOM 0 HG23 ILE A 101 0.074 4.434 -0.149 1.00 0.00 H new ATOM 0 HD11 ILE A 101 3.050 5.728 -1.781 1.00 0.00 H new ATOM 0 HD12 ILE A 101 1.955 5.102 -0.526 1.00 0.00 H new ATOM 0 HD13 ILE A 101 2.052 4.291 -2.107 1.00 0.00 H new ATOM 1506 N CYS A 102 -2.328 3.118 -1.558 1.00 0.00 N ATOM 1507 CA CYS A 102 -3.662 2.593 -1.293 1.00 0.00 C ATOM 1508 C CYS A 102 -4.149 3.016 0.089 1.00 0.00 C ATOM 1509 O CYS A 102 -3.580 2.621 1.107 1.00 0.00 O ATOM 1510 CB CYS A 102 -3.664 1.067 -1.402 1.00 0.00 C ATOM 1511 SG CYS A 102 -3.302 0.446 -3.061 1.00 0.00 S ATOM 0 H CYS A 102 -1.635 2.889 -0.845 1.00 0.00 H new ATOM 0 HA CYS A 102 -4.341 3.004 -2.039 1.00 0.00 H new ATOM 0 HB2 CYS A 102 -2.929 0.663 -0.706 1.00 0.00 H new ATOM 0 HB3 CYS A 102 -4.639 0.692 -1.090 1.00 0.00 H new ATOM 0 HG CYS A 102 -3.324 -0.854 -3.052 1.00 0.00 H new ATOM 1517 N SER A 103 -5.204 3.823 0.118 1.00 0.00 N ATOM 1518 CA SER A 103 -5.764 4.305 1.375 1.00 0.00 C ATOM 1519 C SER A 103 -6.075 3.142 2.313 1.00 0.00 C ATOM 1520 O SER A 103 -6.914 2.294 2.011 1.00 0.00 O ATOM 1521 CB SER A 103 -7.034 5.118 1.114 1.00 0.00 C ATOM 1522 OG SER A 103 -8.032 4.321 0.501 1.00 0.00 O ATOM 0 H SER A 103 -5.689 4.157 -0.715 1.00 0.00 H new ATOM 0 HA SER A 103 -5.023 4.946 1.852 1.00 0.00 H new ATOM 0 HB2 SER A 103 -7.412 5.520 2.054 1.00 0.00 H new ATOM 0 HB3 SER A 103 -6.800 5.969 0.474 1.00 0.00 H new ATOM 0 HG SER A 103 -7.987 3.409 0.858 1.00 0.00 H new ATOM 1528 N GLY A 104 -5.392 3.110 3.453 1.00 0.00 N ATOM 1529 CA GLY A 104 -5.608 2.048 4.417 1.00 0.00 C ATOM 1530 C GLY A 104 -5.979 2.577 5.789 1.00 0.00 C ATOM 1531 O GLY A 104 -6.508 3.679 5.930 1.00 0.00 O ATOM 0 H GLY A 104 -4.693 3.801 3.726 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -6.400 1.391 4.058 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -4.704 1.444 4.496 1.00 0.00 H new