USER MOD reduce.3.24.130724 H: found=0, std=0, add=739, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 740 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 16 CYS SG : rot -9:sc= 0.331 USER MOD Single : A 17 GLN : amide:sc= -1.15! C(o=-1.2!,f=-13!) USER MOD Single : A 19 GLN : amide:sc= -0.43 K(o=-0.43,f=-1.2) USER MOD Single : A 20 THR OG1 : rot -71:sc= 1.15 USER MOD Single : A 23 TYR OH : rot 30:sc= -0.0276 USER MOD Single : A 27 HIS : no HD1:sc= -0.0227 X(o=-0.023,f=-0.019) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 100:sc= 0.84 USER MOD Single : A 42 CYS SG : rot 55:sc= -1.46! USER MOD Single : A 46 TYR OH : rot 72:sc= 0.981 USER MOD Single : A 49 GLN : amide:sc= -1.48 X(o=-1.5,f=-1.9!) USER MOD Single : A 56 SER OG : rot 180:sc= 0.0118 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0.48) USER MOD Single : A 67 THR OG1 : rot -150:sc= -1.2 USER MOD Single : A 72 LYS NZ :NH3+ -122:sc= -0.114 (180deg=-0.589) USER MOD Single : A 76 ASN : amide:sc= -1.57! K(o=-1.6!,f=-0.86) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 87 GLN : amide:sc= -2.34 K(o=-2.3,f=-8.6!) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 101 TYR OH : rot 15:sc= -1.95! USER MOD Single : A 103 SER OG : rot 73:sc= 0.0641 USER MOD Single : A 104 HIS : no HD1:sc= -3.53! K(o=-3.5!,f=-1.7) USER MOD Single : A 106 HIS : no HD1:sc= -10.3! C(o=-10!,f=-5.1!) USER MOD Single : A 107 SER OG : rot 87:sc= 0.252 USER MOD Single : A 110 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0102) USER MOD ----------------------------------------------------------------- ATOM 112 N GLU A 11 -1.799 -13.545 -3.283 1.00 0.00 N ATOM 113 CA GLU A 11 -0.381 -13.398 -3.588 1.00 0.00 C ATOM 114 C GLU A 11 0.088 -11.970 -3.321 1.00 0.00 C ATOM 115 O GLU A 11 1.208 -11.749 -2.857 1.00 0.00 O ATOM 116 CB GLU A 11 -0.108 -13.771 -5.047 1.00 0.00 C ATOM 117 CG GLU A 11 1.286 -14.327 -5.283 1.00 0.00 C ATOM 118 CD GLU A 11 2.301 -13.244 -5.593 1.00 0.00 C ATOM 119 OE1 GLU A 11 2.464 -12.908 -6.785 1.00 0.00 O ATOM 120 OE2 GLU A 11 2.931 -12.732 -4.645 1.00 0.00 O ATOM 0 HA GLU A 11 0.175 -14.073 -2.938 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -0.843 -14.509 -5.368 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -0.248 -12.888 -5.671 1.00 0.00 H new ATOM 0 HG2 GLU A 11 1.607 -14.879 -4.400 1.00 0.00 H new ATOM 0 HG3 GLU A 11 1.255 -15.038 -6.109 1.00 0.00 H new ATOM 127 N LEU A 12 -0.776 -11.005 -3.616 1.00 0.00 N ATOM 128 CA LEU A 12 -0.450 -9.598 -3.408 1.00 0.00 C ATOM 129 C LEU A 12 -0.499 -9.240 -1.927 1.00 0.00 C ATOM 130 O LEU A 12 0.322 -8.465 -1.436 1.00 0.00 O ATOM 131 CB LEU A 12 -1.419 -8.710 -4.192 1.00 0.00 C ATOM 132 CG LEU A 12 -1.401 -7.223 -3.837 1.00 0.00 C ATOM 133 CD1 LEU A 12 -0.145 -6.560 -4.382 1.00 0.00 C ATOM 134 CD2 LEU A 12 -2.646 -6.531 -4.374 1.00 0.00 C ATOM 0 H LEU A 12 -1.707 -11.170 -4.000 1.00 0.00 H new ATOM 0 HA LEU A 12 0.564 -9.428 -3.769 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -1.196 -8.812 -5.254 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -2.430 -9.087 -4.040 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.396 -7.128 -2.751 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.149 -5.502 -4.120 1.00 0.00 H new ATOM 0 HD12 LEU A 12 0.735 -7.037 -3.951 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.120 -6.665 -5.467 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -2.616 -5.473 -4.112 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -2.681 -6.635 -5.458 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -3.534 -6.988 -3.937 1.00 0.00 H new ATOM 146 N LEU A 13 -1.466 -9.813 -1.218 1.00 0.00 N ATOM 147 CA LEU A 13 -1.622 -9.557 0.210 1.00 0.00 C ATOM 148 C LEU A 13 -0.367 -9.963 0.977 1.00 0.00 C ATOM 149 O LEU A 13 0.118 -9.220 1.830 1.00 0.00 O ATOM 150 CB LEU A 13 -2.834 -10.314 0.756 1.00 0.00 C ATOM 151 CG LEU A 13 -2.906 -10.461 2.276 1.00 0.00 C ATOM 152 CD1 LEU A 13 -3.627 -9.273 2.893 1.00 0.00 C ATOM 153 CD2 LEU A 13 -3.598 -11.763 2.654 1.00 0.00 C ATOM 0 H LEU A 13 -2.153 -10.458 -1.608 1.00 0.00 H new ATOM 0 HA LEU A 13 -1.779 -8.487 0.346 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -3.737 -9.806 0.417 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -2.844 -11.310 0.314 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.889 -10.487 2.668 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.669 -9.395 3.975 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -3.090 -8.356 2.652 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -4.640 -9.215 2.495 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -3.640 -11.851 3.740 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.610 -11.768 2.250 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.040 -12.604 2.243 1.00 0.00 H new ATOM 165 N ARG A 14 0.153 -11.144 0.664 1.00 0.00 N ATOM 166 CA ARG A 14 1.353 -11.650 1.322 1.00 0.00 C ATOM 167 C ARG A 14 2.509 -10.664 1.175 1.00 0.00 C ATOM 168 O ARG A 14 3.107 -10.242 2.164 1.00 0.00 O ATOM 169 CB ARG A 14 1.748 -13.007 0.738 1.00 0.00 C ATOM 170 CG ARG A 14 0.618 -14.024 0.743 1.00 0.00 C ATOM 171 CD ARG A 14 0.605 -14.834 2.030 1.00 0.00 C ATOM 172 NE ARG A 14 -0.061 -14.123 3.118 1.00 0.00 N ATOM 173 CZ ARG A 14 -0.452 -14.704 4.246 1.00 0.00 C ATOM 174 NH1 ARG A 14 -0.246 -16.001 4.434 1.00 0.00 N ATOM 175 NH2 ARG A 14 -1.052 -13.990 5.189 1.00 0.00 N ATOM 0 H ARG A 14 -0.237 -11.769 -0.041 1.00 0.00 H new ATOM 0 HA ARG A 14 1.132 -11.770 2.383 1.00 0.00 H new ATOM 0 HB2 ARG A 14 2.094 -12.866 -0.286 1.00 0.00 H new ATOM 0 HB3 ARG A 14 2.588 -13.407 1.306 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -0.336 -13.510 0.625 1.00 0.00 H new ATOM 0 HG3 ARG A 14 0.726 -14.695 -0.109 1.00 0.00 H new ATOM 0 HD2 ARG A 14 0.100 -15.784 1.855 1.00 0.00 H new ATOM 0 HD3 ARG A 14 1.629 -15.066 2.322 1.00 0.00 H new ATOM 0 HE ARG A 14 -0.236 -13.124 3.005 1.00 0.00 H new ATOM 0 HH11 ARG A 14 0.214 -16.554 3.711 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -0.547 -16.445 5.302 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -1.214 -12.993 5.048 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -1.352 -14.438 6.055 1.00 0.00 H new ATOM 189 N TRP A 15 2.818 -10.305 -0.066 1.00 0.00 N ATOM 190 CA TRP A 15 3.903 -9.370 -0.342 1.00 0.00 C ATOM 191 C TRP A 15 3.741 -8.091 0.473 1.00 0.00 C ATOM 192 O TRP A 15 4.697 -7.608 1.083 1.00 0.00 O ATOM 193 CB TRP A 15 3.948 -9.036 -1.834 1.00 0.00 C ATOM 194 CG TRP A 15 4.977 -8.002 -2.180 1.00 0.00 C ATOM 195 CD1 TRP A 15 6.329 -8.182 -2.249 1.00 0.00 C ATOM 196 CD2 TRP A 15 4.737 -6.629 -2.504 1.00 0.00 C ATOM 197 NE1 TRP A 15 6.944 -7.003 -2.595 1.00 0.00 N ATOM 198 CE2 TRP A 15 5.988 -6.035 -2.758 1.00 0.00 C ATOM 199 CE3 TRP A 15 3.586 -5.842 -2.605 1.00 0.00 C ATOM 200 CZ2 TRP A 15 6.119 -4.693 -3.106 1.00 0.00 C ATOM 201 CZ3 TRP A 15 3.717 -4.510 -2.950 1.00 0.00 C ATOM 202 CH2 TRP A 15 4.976 -3.947 -3.198 1.00 0.00 C ATOM 0 H TRP A 15 2.333 -10.647 -0.896 1.00 0.00 H new ATOM 0 HA TRP A 15 4.841 -9.845 -0.054 1.00 0.00 H new ATOM 0 HB2 TRP A 15 4.154 -9.946 -2.397 1.00 0.00 H new ATOM 0 HB3 TRP A 15 2.967 -8.682 -2.150 1.00 0.00 H new ATOM 0 HD1 TRP A 15 6.840 -9.114 -2.059 1.00 0.00 H new ATOM 0 HE1 TRP A 15 7.949 -6.870 -2.712 1.00 0.00 H new ATOM 0 HE3 TRP A 15 2.611 -6.267 -2.417 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 7.088 -4.257 -3.296 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 2.834 -3.893 -3.030 1.00 0.00 H new ATOM 0 HH2 TRP A 15 5.045 -2.903 -3.467 1.00 0.00 H new ATOM 213 N CYS A 16 2.529 -7.549 0.481 1.00 0.00 N ATOM 214 CA CYS A 16 2.244 -6.326 1.221 1.00 0.00 C ATOM 215 C CYS A 16 2.464 -6.530 2.716 1.00 0.00 C ATOM 216 O CYS A 16 3.065 -5.691 3.386 1.00 0.00 O ATOM 217 CB CYS A 16 0.806 -5.872 0.963 1.00 0.00 C ATOM 218 SG CYS A 16 0.514 -5.264 -0.714 1.00 0.00 S ATOM 0 H CYS A 16 1.728 -7.937 -0.017 1.00 0.00 H new ATOM 0 HA CYS A 16 2.930 -5.553 0.873 1.00 0.00 H new ATOM 0 HB2 CYS A 16 0.132 -6.706 1.158 1.00 0.00 H new ATOM 0 HB3 CYS A 16 0.552 -5.085 1.673 1.00 0.00 H new ATOM 0 HG CYS A 16 1.649 -5.147 -1.337 1.00 0.00 H new ATOM 224 N GLN A 17 1.973 -7.653 3.233 1.00 0.00 N ATOM 225 CA GLN A 17 2.115 -7.967 4.650 1.00 0.00 C ATOM 226 C GLN A 17 3.576 -7.897 5.079 1.00 0.00 C ATOM 227 O GLN A 17 3.886 -7.456 6.186 1.00 0.00 O ATOM 228 CB GLN A 17 1.551 -9.358 4.944 1.00 0.00 C ATOM 229 CG GLN A 17 0.031 -9.411 4.948 1.00 0.00 C ATOM 230 CD GLN A 17 -0.504 -10.801 5.230 1.00 0.00 C ATOM 231 OE1 GLN A 17 0.128 -11.802 4.891 1.00 0.00 O ATOM 232 NE2 GLN A 17 -1.673 -10.870 5.855 1.00 0.00 N ATOM 0 H GLN A 17 1.474 -8.359 2.692 1.00 0.00 H new ATOM 0 HA GLN A 17 1.553 -7.227 5.219 1.00 0.00 H new ATOM 0 HB2 GLN A 17 1.929 -10.059 4.199 1.00 0.00 H new ATOM 0 HB3 GLN A 17 1.920 -9.693 5.913 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -0.351 -8.720 5.699 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -0.343 -9.071 3.982 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -2.162 -10.014 6.118 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -2.082 -11.779 6.073 1.00 0.00 H new ATOM 241 N GLU A 18 4.469 -8.333 4.197 1.00 0.00 N ATOM 242 CA GLU A 18 5.898 -8.320 4.487 1.00 0.00 C ATOM 243 C GLU A 18 6.438 -6.893 4.499 1.00 0.00 C ATOM 244 O GLU A 18 7.226 -6.524 5.369 1.00 0.00 O ATOM 245 CB GLU A 18 6.658 -9.155 3.455 1.00 0.00 C ATOM 246 CG GLU A 18 6.277 -10.626 3.463 1.00 0.00 C ATOM 247 CD GLU A 18 7.247 -11.484 2.674 1.00 0.00 C ATOM 248 OE1 GLU A 18 8.464 -11.400 2.940 1.00 0.00 O ATOM 249 OE2 GLU A 18 6.790 -12.240 1.792 1.00 0.00 O ATOM 0 H GLU A 18 4.229 -8.700 3.276 1.00 0.00 H new ATOM 0 HA GLU A 18 6.046 -8.755 5.476 1.00 0.00 H new ATOM 0 HB2 GLU A 18 6.473 -8.746 2.462 1.00 0.00 H new ATOM 0 HB3 GLU A 18 7.728 -9.064 3.643 1.00 0.00 H new ATOM 0 HG2 GLU A 18 6.238 -10.982 4.493 1.00 0.00 H new ATOM 0 HG3 GLU A 18 5.276 -10.740 3.048 1.00 0.00 H new ATOM 256 N GLN A 19 6.007 -6.095 3.526 1.00 0.00 N ATOM 257 CA GLN A 19 6.448 -4.709 3.424 1.00 0.00 C ATOM 258 C GLN A 19 5.913 -3.881 4.588 1.00 0.00 C ATOM 259 O GLN A 19 6.681 -3.294 5.352 1.00 0.00 O ATOM 260 CB GLN A 19 5.988 -4.102 2.097 1.00 0.00 C ATOM 261 CG GLN A 19 6.481 -4.864 0.877 1.00 0.00 C ATOM 262 CD GLN A 19 7.959 -5.191 0.951 1.00 0.00 C ATOM 263 OE1 GLN A 19 8.756 -4.405 1.462 1.00 0.00 O ATOM 264 NE2 GLN A 19 8.333 -6.358 0.440 1.00 0.00 N ATOM 0 H GLN A 19 5.354 -6.385 2.798 1.00 0.00 H new ATOM 0 HA GLN A 19 7.537 -4.696 3.463 1.00 0.00 H new ATOM 0 HB2 GLN A 19 4.899 -4.070 2.080 1.00 0.00 H new ATOM 0 HB3 GLN A 19 6.338 -3.071 2.037 1.00 0.00 H new ATOM 0 HG2 GLN A 19 5.913 -5.789 0.777 1.00 0.00 H new ATOM 0 HG3 GLN A 19 6.288 -4.273 -0.018 1.00 0.00 H new ATOM 0 HE21 GLN A 19 7.638 -6.979 0.026 1.00 0.00 H new ATOM 0 HE22 GLN A 19 9.315 -6.633 0.462 1.00 0.00 H new ATOM 273 N THR A 20 4.591 -3.836 4.718 1.00 0.00 N ATOM 274 CA THR A 20 3.953 -3.078 5.787 1.00 0.00 C ATOM 275 C THR A 20 4.430 -3.550 7.156 1.00 0.00 C ATOM 276 O THR A 20 4.320 -2.828 8.145 1.00 0.00 O ATOM 277 CB THR A 20 2.419 -3.195 5.721 1.00 0.00 C ATOM 278 OG1 THR A 20 2.034 -4.575 5.679 1.00 0.00 O ATOM 279 CG2 THR A 20 1.873 -2.474 4.498 1.00 0.00 C ATOM 0 H THR A 20 3.941 -4.316 4.096 1.00 0.00 H new ATOM 0 HA THR A 20 4.236 -2.035 5.647 1.00 0.00 H new ATOM 0 HB THR A 20 2.003 -2.729 6.614 1.00 0.00 H new ATOM 0 HG1 THR A 20 2.266 -4.953 4.805 1.00 0.00 H new ATOM 0 HG21 THR A 20 0.788 -2.571 4.473 1.00 0.00 H new ATOM 0 HG22 THR A 20 2.142 -1.419 4.547 1.00 0.00 H new ATOM 0 HG23 THR A 20 2.297 -2.915 3.596 1.00 0.00 H new ATOM 287 N ALA A 21 4.959 -4.768 7.204 1.00 0.00 N ATOM 288 CA ALA A 21 5.455 -5.337 8.452 1.00 0.00 C ATOM 289 C ALA A 21 6.536 -4.454 9.066 1.00 0.00 C ATOM 290 O ALA A 21 7.496 -4.075 8.396 1.00 0.00 O ATOM 291 CB ALA A 21 5.989 -6.742 8.216 1.00 0.00 C ATOM 0 H ALA A 21 5.055 -5.380 6.394 1.00 0.00 H new ATOM 0 HA ALA A 21 4.623 -5.390 9.155 1.00 0.00 H new ATOM 0 HB1 ALA A 21 6.356 -7.154 9.156 1.00 0.00 H new ATOM 0 HB2 ALA A 21 5.190 -7.375 7.829 1.00 0.00 H new ATOM 0 HB3 ALA A 21 6.804 -6.705 7.493 1.00 0.00 H new ATOM 297 N GLY A 22 6.374 -4.130 10.344 1.00 0.00 N ATOM 298 CA GLY A 22 7.343 -3.293 11.027 1.00 0.00 C ATOM 299 C GLY A 22 6.749 -1.978 11.491 1.00 0.00 C ATOM 300 O GLY A 22 6.989 -1.545 12.618 1.00 0.00 O ATOM 0 H GLY A 22 5.588 -4.432 10.920 1.00 0.00 H new ATOM 0 HA2 GLY A 22 7.741 -3.832 11.887 1.00 0.00 H new ATOM 0 HA3 GLY A 22 8.181 -3.094 10.359 1.00 0.00 H new ATOM 304 N TYR A 23 5.974 -1.340 10.622 1.00 0.00 N ATOM 305 CA TYR A 23 5.348 -0.065 10.948 1.00 0.00 C ATOM 306 C TYR A 23 4.440 -0.199 12.166 1.00 0.00 C ATOM 307 O TYR A 23 3.534 -1.031 12.209 1.00 0.00 O ATOM 308 CB TYR A 23 4.544 0.452 9.753 1.00 0.00 C ATOM 309 CG TYR A 23 4.248 1.934 9.818 1.00 0.00 C ATOM 310 CD1 TYR A 23 3.585 2.483 10.907 1.00 0.00 C ATOM 311 CD2 TYR A 23 4.634 2.784 8.788 1.00 0.00 C ATOM 312 CE1 TYR A 23 3.313 3.836 10.970 1.00 0.00 C ATOM 313 CE2 TYR A 23 4.368 4.138 8.843 1.00 0.00 C ATOM 314 CZ TYR A 23 3.706 4.660 9.935 1.00 0.00 C ATOM 315 OH TYR A 23 3.439 6.008 9.994 1.00 0.00 O ATOM 0 H TYR A 23 5.764 -1.685 9.685 1.00 0.00 H new ATOM 0 HA TYR A 23 6.137 0.649 11.183 1.00 0.00 H new ATOM 0 HB2 TYR A 23 5.094 0.240 8.836 1.00 0.00 H new ATOM 0 HB3 TYR A 23 3.603 -0.096 9.694 1.00 0.00 H new ATOM 0 HD1 TYR A 23 3.276 1.841 11.719 1.00 0.00 H new ATOM 0 HD2 TYR A 23 5.151 2.379 7.930 1.00 0.00 H new ATOM 0 HE1 TYR A 23 2.796 4.247 11.824 1.00 0.00 H new ATOM 0 HE2 TYR A 23 4.677 4.785 8.035 1.00 0.00 H new ATOM 0 HH TYR A 23 3.428 6.299 10.930 1.00 0.00 H new ATOM 325 N PRO A 24 4.689 0.639 13.183 1.00 0.00 N ATOM 326 CA PRO A 24 3.905 0.636 14.422 1.00 0.00 C ATOM 327 C PRO A 24 2.487 1.154 14.212 1.00 0.00 C ATOM 328 O PRO A 24 2.268 2.358 14.082 1.00 0.00 O ATOM 329 CB PRO A 24 4.688 1.578 15.339 1.00 0.00 C ATOM 330 CG PRO A 24 5.426 2.483 14.413 1.00 0.00 C ATOM 331 CD PRO A 24 5.753 1.657 13.201 1.00 0.00 C ATOM 0 HA PRO A 24 3.783 -0.370 14.825 1.00 0.00 H new ATOM 0 HB2 PRO A 24 4.020 2.139 15.993 1.00 0.00 H new ATOM 0 HB3 PRO A 24 5.373 1.025 15.982 1.00 0.00 H new ATOM 0 HG2 PRO A 24 4.818 3.347 14.144 1.00 0.00 H new ATOM 0 HG3 PRO A 24 6.333 2.865 14.881 1.00 0.00 H new ATOM 0 HD2 PRO A 24 5.749 2.259 12.292 1.00 0.00 H new ATOM 0 HD3 PRO A 24 6.741 1.204 13.279 1.00 0.00 H new ATOM 339 N GLY A 25 1.524 0.237 14.181 1.00 0.00 N ATOM 340 CA GLY A 25 0.139 0.622 13.987 1.00 0.00 C ATOM 341 C GLY A 25 -0.399 0.193 12.636 1.00 0.00 C ATOM 342 O GLY A 25 -1.440 0.676 12.191 1.00 0.00 O ATOM 0 H GLY A 25 1.679 -0.766 14.287 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -0.471 0.180 14.775 1.00 0.00 H new ATOM 0 HA3 GLY A 25 0.049 1.704 14.083 1.00 0.00 H new ATOM 346 N VAL A 26 0.313 -0.718 11.980 1.00 0.00 N ATOM 347 CA VAL A 26 -0.097 -1.212 10.671 1.00 0.00 C ATOM 348 C VAL A 26 -0.275 -2.726 10.686 1.00 0.00 C ATOM 349 O VAL A 26 0.692 -3.475 10.820 1.00 0.00 O ATOM 350 CB VAL A 26 0.927 -0.838 9.582 1.00 0.00 C ATOM 351 CG1 VAL A 26 0.641 -1.598 8.296 1.00 0.00 C ATOM 352 CG2 VAL A 26 0.920 0.664 9.338 1.00 0.00 C ATOM 0 H VAL A 26 1.177 -1.129 12.334 1.00 0.00 H new ATOM 0 HA VAL A 26 -1.051 -0.738 10.440 1.00 0.00 H new ATOM 0 HB VAL A 26 1.921 -1.122 9.929 1.00 0.00 H new ATOM 0 HG11 VAL A 26 1.374 -1.321 7.539 1.00 0.00 H new ATOM 0 HG12 VAL A 26 0.702 -2.670 8.485 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -0.359 -1.349 7.941 1.00 0.00 H new ATOM 0 HG21 VAL A 26 1.649 0.911 8.566 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -0.073 0.975 9.012 1.00 0.00 H new ATOM 0 HG23 VAL A 26 1.179 1.184 10.261 1.00 0.00 H new ATOM 362 N HIS A 27 -1.521 -3.171 10.549 1.00 0.00 N ATOM 363 CA HIS A 27 -1.827 -4.596 10.546 1.00 0.00 C ATOM 364 C HIS A 27 -2.684 -4.966 9.339 1.00 0.00 C ATOM 365 O HIS A 27 -3.913 -4.947 9.406 1.00 0.00 O ATOM 366 CB HIS A 27 -2.549 -4.987 11.836 1.00 0.00 C ATOM 367 CG HIS A 27 -3.470 -3.925 12.352 1.00 0.00 C ATOM 368 ND1 HIS A 27 -3.094 -3.001 13.304 1.00 0.00 N ATOM 369 CD2 HIS A 27 -4.756 -3.643 12.043 1.00 0.00 C ATOM 370 CE1 HIS A 27 -4.110 -2.196 13.560 1.00 0.00 C ATOM 371 NE2 HIS A 27 -5.132 -2.564 12.806 1.00 0.00 N ATOM 0 H HIS A 27 -2.334 -2.565 10.439 1.00 0.00 H new ATOM 0 HA HIS A 27 -0.886 -5.143 10.484 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -3.121 -5.898 11.661 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -1.808 -5.218 12.602 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -5.373 -4.168 11.329 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -4.106 -1.377 14.265 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -6.050 -2.119 12.793 1.00 0.00 H new ATOM 380 N VAL A 28 -2.026 -5.301 8.232 1.00 0.00 N ATOM 381 CA VAL A 28 -2.727 -5.674 7.010 1.00 0.00 C ATOM 382 C VAL A 28 -3.259 -7.101 7.096 1.00 0.00 C ATOM 383 O VAL A 28 -2.533 -8.061 6.842 1.00 0.00 O ATOM 384 CB VAL A 28 -1.811 -5.553 5.778 1.00 0.00 C ATOM 385 CG1 VAL A 28 -2.531 -6.033 4.527 1.00 0.00 C ATOM 386 CG2 VAL A 28 -1.331 -4.119 5.610 1.00 0.00 C ATOM 0 H VAL A 28 -1.009 -5.321 8.158 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.563 -4.983 6.901 1.00 0.00 H new ATOM 0 HB VAL A 28 -0.939 -6.188 5.932 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -1.868 -5.940 3.667 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -2.820 -7.077 4.651 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -3.422 -5.427 4.365 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -0.685 -4.052 4.735 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -2.190 -3.461 5.478 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -0.774 -3.816 6.496 1.00 0.00 H new ATOM 396 N SER A 29 -4.533 -7.231 7.455 1.00 0.00 N ATOM 397 CA SER A 29 -5.162 -8.540 7.577 1.00 0.00 C ATOM 398 C SER A 29 -5.921 -8.900 6.303 1.00 0.00 C ATOM 399 O SER A 29 -6.026 -10.071 5.939 1.00 0.00 O ATOM 400 CB SER A 29 -6.115 -8.561 8.774 1.00 0.00 C ATOM 401 OG SER A 29 -5.415 -8.823 9.978 1.00 0.00 O ATOM 0 H SER A 29 -5.149 -6.446 7.666 1.00 0.00 H new ATOM 0 HA SER A 29 -4.377 -9.280 7.732 1.00 0.00 H new ATOM 0 HB2 SER A 29 -6.630 -7.603 8.850 1.00 0.00 H new ATOM 0 HB3 SER A 29 -6.880 -9.323 8.621 1.00 0.00 H new ATOM 0 HG SER A 29 -6.046 -8.830 10.728 1.00 0.00 H new ATOM 407 N ASP A 30 -6.448 -7.883 5.629 1.00 0.00 N ATOM 408 CA ASP A 30 -7.196 -8.090 4.395 1.00 0.00 C ATOM 409 C ASP A 30 -7.150 -6.844 3.515 1.00 0.00 C ATOM 410 O ASP A 30 -6.479 -5.865 3.844 1.00 0.00 O ATOM 411 CB ASP A 30 -8.648 -8.453 4.708 1.00 0.00 C ATOM 412 CG ASP A 30 -8.765 -9.747 5.491 1.00 0.00 C ATOM 413 OD1 ASP A 30 -8.424 -10.811 4.934 1.00 0.00 O ATOM 414 OD2 ASP A 30 -9.198 -9.695 6.662 1.00 0.00 O ATOM 0 H ASP A 30 -6.371 -6.908 5.917 1.00 0.00 H new ATOM 0 HA ASP A 30 -6.732 -8.914 3.853 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -9.107 -7.645 5.277 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -9.206 -8.544 3.776 1.00 0.00 H new ATOM 419 N LEU A 31 -7.864 -6.889 2.397 1.00 0.00 N ATOM 420 CA LEU A 31 -7.904 -5.764 1.469 1.00 0.00 C ATOM 421 C LEU A 31 -9.295 -5.140 1.429 1.00 0.00 C ATOM 422 O LEU A 31 -9.874 -4.956 0.358 1.00 0.00 O ATOM 423 CB LEU A 31 -7.497 -6.219 0.067 1.00 0.00 C ATOM 424 CG LEU A 31 -6.029 -6.609 -0.113 1.00 0.00 C ATOM 425 CD1 LEU A 31 -5.750 -7.954 0.540 1.00 0.00 C ATOM 426 CD2 LEU A 31 -5.663 -6.643 -1.589 1.00 0.00 C ATOM 0 H LEU A 31 -8.424 -7.692 2.110 1.00 0.00 H new ATOM 0 HA LEU A 31 -7.198 -5.011 1.819 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -8.115 -7.073 -0.210 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -7.728 -5.417 -0.635 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.410 -5.856 0.376 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.701 -8.215 0.402 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -5.972 -7.894 1.606 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -6.377 -8.718 0.081 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.615 -6.922 -1.698 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -6.288 -7.374 -2.102 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -5.823 -5.658 -2.026 1.00 0.00 H new ATOM 438 N SER A 32 -9.826 -4.814 2.603 1.00 0.00 N ATOM 439 CA SER A 32 -11.150 -4.211 2.703 1.00 0.00 C ATOM 440 C SER A 32 -11.133 -3.015 3.650 1.00 0.00 C ATOM 441 O SER A 32 -11.477 -1.898 3.262 1.00 0.00 O ATOM 442 CB SER A 32 -12.169 -5.245 3.187 1.00 0.00 C ATOM 443 OG SER A 32 -13.494 -4.784 2.994 1.00 0.00 O ATOM 0 H SER A 32 -9.359 -4.957 3.499 1.00 0.00 H new ATOM 0 HA SER A 32 -11.439 -3.862 1.711 1.00 0.00 H new ATOM 0 HB2 SER A 32 -12.025 -6.182 2.649 1.00 0.00 H new ATOM 0 HB3 SER A 32 -12.004 -5.456 4.244 1.00 0.00 H new ATOM 0 HG SER A 32 -14.126 -5.463 3.310 1.00 0.00 H new ATOM 449 N SER A 33 -10.730 -3.258 4.892 1.00 0.00 N ATOM 450 CA SER A 33 -10.671 -2.203 5.897 1.00 0.00 C ATOM 451 C SER A 33 -9.248 -2.029 6.420 1.00 0.00 C ATOM 452 O SER A 33 -8.818 -0.916 6.724 1.00 0.00 O ATOM 453 CB SER A 33 -11.618 -2.519 7.056 1.00 0.00 C ATOM 454 OG SER A 33 -12.971 -2.376 6.663 1.00 0.00 O ATOM 0 H SER A 33 -10.439 -4.176 5.227 1.00 0.00 H new ATOM 0 HA SER A 33 -10.983 -1.270 5.427 1.00 0.00 H new ATOM 0 HB2 SER A 33 -11.443 -3.537 7.405 1.00 0.00 H new ATOM 0 HB3 SER A 33 -11.407 -1.854 7.893 1.00 0.00 H new ATOM 0 HG SER A 33 -13.556 -2.585 7.421 1.00 0.00 H new ATOM 460 N SER A 34 -8.523 -3.139 6.523 1.00 0.00 N ATOM 461 CA SER A 34 -7.150 -3.112 7.013 1.00 0.00 C ATOM 462 C SER A 34 -6.376 -1.950 6.396 1.00 0.00 C ATOM 463 O SER A 34 -5.492 -1.373 7.029 1.00 0.00 O ATOM 464 CB SER A 34 -6.446 -4.433 6.696 1.00 0.00 C ATOM 465 OG SER A 34 -6.642 -5.376 7.735 1.00 0.00 O ATOM 0 H SER A 34 -8.864 -4.068 6.274 1.00 0.00 H new ATOM 0 HA SER A 34 -7.179 -2.974 8.094 1.00 0.00 H new ATOM 0 HB2 SER A 34 -6.827 -4.836 5.758 1.00 0.00 H new ATOM 0 HB3 SER A 34 -5.379 -4.256 6.557 1.00 0.00 H new ATOM 0 HG SER A 34 -7.352 -6.001 7.480 1.00 0.00 H new ATOM 471 N TRP A 35 -6.716 -1.613 5.157 1.00 0.00 N ATOM 472 CA TRP A 35 -6.053 -0.520 4.454 1.00 0.00 C ATOM 473 C TRP A 35 -6.836 0.779 4.606 1.00 0.00 C ATOM 474 O TRP A 35 -6.256 1.864 4.640 1.00 0.00 O ATOM 475 CB TRP A 35 -5.892 -0.863 2.973 1.00 0.00 C ATOM 476 CG TRP A 35 -5.058 -2.085 2.733 1.00 0.00 C ATOM 477 CD1 TRP A 35 -5.452 -3.386 2.866 1.00 0.00 C ATOM 478 CD2 TRP A 35 -3.687 -2.120 2.322 1.00 0.00 C ATOM 479 NE1 TRP A 35 -4.410 -4.227 2.562 1.00 0.00 N ATOM 480 CE2 TRP A 35 -3.315 -3.476 2.223 1.00 0.00 C ATOM 481 CE3 TRP A 35 -2.737 -1.139 2.023 1.00 0.00 C ATOM 482 CZ2 TRP A 35 -2.036 -3.871 1.841 1.00 0.00 C ATOM 483 CZ3 TRP A 35 -1.469 -1.533 1.645 1.00 0.00 C ATOM 484 CH2 TRP A 35 -1.127 -2.889 1.556 1.00 0.00 C ATOM 0 H TRP A 35 -7.446 -2.080 4.619 1.00 0.00 H new ATOM 0 HA TRP A 35 -5.067 -0.381 4.897 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -6.878 -1.013 2.533 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -5.439 -0.016 2.458 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -6.439 -3.706 3.166 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -4.445 -5.246 2.585 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -2.991 -0.091 2.087 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -1.771 -4.916 1.772 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -0.727 -0.783 1.414 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -0.126 -3.164 1.257 1.00 0.00 H new ATOM 495 N ALA A 36 -8.157 0.661 4.695 1.00 0.00 N ATOM 496 CA ALA A 36 -9.019 1.827 4.846 1.00 0.00 C ATOM 497 C ALA A 36 -8.377 2.872 5.752 1.00 0.00 C ATOM 498 O ALA A 36 -8.314 4.052 5.406 1.00 0.00 O ATOM 499 CB ALA A 36 -10.377 1.413 5.394 1.00 0.00 C ATOM 0 H ALA A 36 -8.653 -0.230 4.665 1.00 0.00 H new ATOM 0 HA ALA A 36 -9.158 2.274 3.862 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -11.010 2.294 5.501 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -10.848 0.710 4.707 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -10.248 0.938 6.367 1.00 0.00 H new ATOM 505 N ASP A 37 -7.902 2.431 6.911 1.00 0.00 N ATOM 506 CA ASP A 37 -7.264 3.330 7.867 1.00 0.00 C ATOM 507 C ASP A 37 -6.367 4.336 7.152 1.00 0.00 C ATOM 508 O ASP A 37 -6.388 5.527 7.458 1.00 0.00 O ATOM 509 CB ASP A 37 -6.446 2.530 8.882 1.00 0.00 C ATOM 510 CG ASP A 37 -7.297 1.557 9.675 1.00 0.00 C ATOM 511 OD1 ASP A 37 -8.134 2.021 10.478 1.00 0.00 O ATOM 512 OD2 ASP A 37 -7.126 0.335 9.492 1.00 0.00 O ATOM 0 H ASP A 37 -7.946 1.457 7.212 1.00 0.00 H new ATOM 0 HA ASP A 37 -8.046 3.878 8.392 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -5.662 1.981 8.360 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -5.951 3.218 9.568 1.00 0.00 H new ATOM 517 N GLY A 38 -5.582 3.848 6.197 1.00 0.00 N ATOM 518 CA GLY A 38 -4.688 4.718 5.455 1.00 0.00 C ATOM 519 C GLY A 38 -3.230 4.358 5.656 1.00 0.00 C ATOM 520 O GLY A 38 -2.475 4.231 4.689 1.00 0.00 O ATOM 0 H GLY A 38 -5.549 2.866 5.924 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -4.930 4.662 4.394 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -4.850 5.750 5.765 1.00 0.00 H new ATOM 524 N LEU A 39 -2.830 4.196 6.911 1.00 0.00 N ATOM 525 CA LEU A 39 -1.450 3.850 7.236 1.00 0.00 C ATOM 526 C LEU A 39 -0.932 2.751 6.313 1.00 0.00 C ATOM 527 O LEU A 39 0.140 2.878 5.722 1.00 0.00 O ATOM 528 CB LEU A 39 -1.346 3.398 8.694 1.00 0.00 C ATOM 529 CG LEU A 39 -1.067 4.498 9.719 1.00 0.00 C ATOM 530 CD1 LEU A 39 -1.248 3.969 11.133 1.00 0.00 C ATOM 531 CD2 LEU A 39 0.337 5.057 9.532 1.00 0.00 C ATOM 0 H LEU A 39 -3.441 4.298 7.721 1.00 0.00 H new ATOM 0 HA LEU A 39 -0.836 4.739 7.093 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -2.277 2.902 8.967 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.555 2.652 8.767 1.00 0.00 H new ATOM 0 HG LEU A 39 -1.782 5.305 9.561 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -1.045 4.766 11.848 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -2.272 3.618 11.262 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.557 3.144 11.304 1.00 0.00 H new ATOM 0 HD21 LEU A 39 0.519 5.839 10.270 1.00 0.00 H new ATOM 0 HD22 LEU A 39 1.067 4.258 9.662 1.00 0.00 H new ATOM 0 HD23 LEU A 39 0.432 5.475 8.530 1.00 0.00 H new ATOM 543 N ALA A 40 -1.701 1.675 6.194 1.00 0.00 N ATOM 544 CA ALA A 40 -1.323 0.557 5.339 1.00 0.00 C ATOM 545 C ALA A 40 -0.560 1.038 4.110 1.00 0.00 C ATOM 546 O ALA A 40 0.620 0.727 3.937 1.00 0.00 O ATOM 547 CB ALA A 40 -2.556 -0.231 4.923 1.00 0.00 C ATOM 0 H ALA A 40 -2.590 1.553 6.679 1.00 0.00 H new ATOM 0 HA ALA A 40 -0.664 -0.097 5.910 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -2.258 -1.063 4.285 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -3.058 -0.616 5.810 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -3.237 0.421 4.375 1.00 0.00 H new ATOM 553 N LEU A 41 -1.239 1.797 3.258 1.00 0.00 N ATOM 554 CA LEU A 41 -0.626 2.322 2.043 1.00 0.00 C ATOM 555 C LEU A 41 0.615 3.145 2.373 1.00 0.00 C ATOM 556 O LEU A 41 1.602 3.120 1.636 1.00 0.00 O ATOM 557 CB LEU A 41 -1.630 3.179 1.270 1.00 0.00 C ATOM 558 CG LEU A 41 -2.484 2.443 0.237 1.00 0.00 C ATOM 559 CD1 LEU A 41 -3.638 3.320 -0.224 1.00 0.00 C ATOM 560 CD2 LEU A 41 -1.633 2.011 -0.949 1.00 0.00 C ATOM 0 H LEU A 41 -2.215 2.063 3.386 1.00 0.00 H new ATOM 0 HA LEU A 41 -0.326 1.478 1.422 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -2.296 3.659 1.987 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.084 3.973 0.761 1.00 0.00 H new ATOM 0 HG LEU A 41 -2.898 1.550 0.706 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -4.235 2.780 -0.959 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -4.263 3.579 0.631 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -3.245 4.231 -0.675 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -2.257 1.489 -1.674 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -1.190 2.889 -1.418 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -0.842 1.345 -0.605 1.00 0.00 H new ATOM 572 N CYS A 42 0.559 3.873 3.483 1.00 0.00 N ATOM 573 CA CYS A 42 1.680 4.704 3.910 1.00 0.00 C ATOM 574 C CYS A 42 2.913 3.851 4.188 1.00 0.00 C ATOM 575 O CYS A 42 3.955 4.024 3.556 1.00 0.00 O ATOM 576 CB CYS A 42 1.302 5.500 5.159 1.00 0.00 C ATOM 577 SG CYS A 42 -0.266 6.389 5.023 1.00 0.00 S ATOM 0 H CYS A 42 -0.250 3.905 4.103 1.00 0.00 H new ATOM 0 HA CYS A 42 1.916 5.398 3.103 1.00 0.00 H new ATOM 0 HB2 CYS A 42 1.248 4.819 6.008 1.00 0.00 H new ATOM 0 HB3 CYS A 42 2.095 6.216 5.374 1.00 0.00 H new ATOM 0 HG CYS A 42 -1.208 5.558 4.689 1.00 0.00 H new ATOM 583 N ALA A 43 2.788 2.931 5.139 1.00 0.00 N ATOM 584 CA ALA A 43 3.892 2.051 5.500 1.00 0.00 C ATOM 585 C ALA A 43 4.534 1.438 4.261 1.00 0.00 C ATOM 586 O ALA A 43 5.756 1.471 4.101 1.00 0.00 O ATOM 587 CB ALA A 43 3.409 0.958 6.443 1.00 0.00 C ATOM 0 H ALA A 43 1.933 2.776 5.673 1.00 0.00 H new ATOM 0 HA ALA A 43 4.648 2.648 6.010 1.00 0.00 H new ATOM 0 HB1 ALA A 43 4.244 0.308 6.704 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.004 1.411 7.348 1.00 0.00 H new ATOM 0 HB3 ALA A 43 2.632 0.371 5.953 1.00 0.00 H new ATOM 593 N LEU A 44 3.706 0.878 3.387 1.00 0.00 N ATOM 594 CA LEU A 44 4.194 0.256 2.161 1.00 0.00 C ATOM 595 C LEU A 44 5.069 1.223 1.370 1.00 0.00 C ATOM 596 O LEU A 44 6.159 0.866 0.921 1.00 0.00 O ATOM 597 CB LEU A 44 3.019 -0.207 1.298 1.00 0.00 C ATOM 598 CG LEU A 44 3.358 -0.609 -0.137 1.00 0.00 C ATOM 599 CD1 LEU A 44 4.075 -1.950 -0.162 1.00 0.00 C ATOM 600 CD2 LEU A 44 2.097 -0.661 -0.988 1.00 0.00 C ATOM 0 H LEU A 44 2.693 0.842 3.504 1.00 0.00 H new ATOM 0 HA LEU A 44 4.798 -0.608 2.438 1.00 0.00 H new ATOM 0 HB2 LEU A 44 2.546 -1.057 1.790 1.00 0.00 H new ATOM 0 HB3 LEU A 44 2.281 0.594 1.265 1.00 0.00 H new ATOM 0 HG LEU A 44 4.025 0.144 -0.556 1.00 0.00 H new ATOM 0 HD11 LEU A 44 4.308 -2.219 -1.192 1.00 0.00 H new ATOM 0 HD12 LEU A 44 4.999 -1.879 0.412 1.00 0.00 H new ATOM 0 HD13 LEU A 44 3.433 -2.714 0.276 1.00 0.00 H new ATOM 0 HD21 LEU A 44 2.357 -0.949 -2.007 1.00 0.00 H new ATOM 0 HD22 LEU A 44 1.406 -1.392 -0.570 1.00 0.00 H new ATOM 0 HD23 LEU A 44 1.624 0.321 -0.998 1.00 0.00 H new ATOM 612 N VAL A 45 4.586 2.451 1.206 1.00 0.00 N ATOM 613 CA VAL A 45 5.326 3.471 0.473 1.00 0.00 C ATOM 614 C VAL A 45 6.677 3.744 1.123 1.00 0.00 C ATOM 615 O VAL A 45 7.725 3.533 0.513 1.00 0.00 O ATOM 616 CB VAL A 45 4.532 4.789 0.390 1.00 0.00 C ATOM 617 CG1 VAL A 45 5.331 5.848 -0.354 1.00 0.00 C ATOM 618 CG2 VAL A 45 3.185 4.559 -0.278 1.00 0.00 C ATOM 0 H VAL A 45 3.686 2.763 1.571 1.00 0.00 H new ATOM 0 HA VAL A 45 5.483 3.086 -0.534 1.00 0.00 H new ATOM 0 HB VAL A 45 4.352 5.149 1.403 1.00 0.00 H new ATOM 0 HG11 VAL A 45 4.754 6.772 -0.403 1.00 0.00 H new ATOM 0 HG12 VAL A 45 6.268 6.033 0.171 1.00 0.00 H new ATOM 0 HG13 VAL A 45 5.544 5.500 -1.365 1.00 0.00 H new ATOM 0 HG21 VAL A 45 2.638 5.501 -0.328 1.00 0.00 H new ATOM 0 HG22 VAL A 45 3.340 4.175 -1.286 1.00 0.00 H new ATOM 0 HG23 VAL A 45 2.610 3.836 0.301 1.00 0.00 H new ATOM 628 N TYR A 46 6.645 4.215 2.365 1.00 0.00 N ATOM 629 CA TYR A 46 7.868 4.519 3.099 1.00 0.00 C ATOM 630 C TYR A 46 8.871 3.375 2.984 1.00 0.00 C ATOM 631 O TYR A 46 10.035 3.586 2.645 1.00 0.00 O ATOM 632 CB TYR A 46 7.550 4.789 4.570 1.00 0.00 C ATOM 633 CG TYR A 46 6.743 6.048 4.795 1.00 0.00 C ATOM 634 CD1 TYR A 46 7.246 7.292 4.433 1.00 0.00 C ATOM 635 CD2 TYR A 46 5.480 5.993 5.368 1.00 0.00 C ATOM 636 CE1 TYR A 46 6.512 8.445 4.637 1.00 0.00 C ATOM 637 CE2 TYR A 46 4.737 7.141 5.574 1.00 0.00 C ATOM 638 CZ TYR A 46 5.259 8.364 5.206 1.00 0.00 C ATOM 639 OH TYR A 46 4.524 9.510 5.411 1.00 0.00 O ATOM 0 H TYR A 46 5.786 4.395 2.884 1.00 0.00 H new ATOM 0 HA TYR A 46 8.313 5.412 2.661 1.00 0.00 H new ATOM 0 HB2 TYR A 46 7.002 3.939 4.976 1.00 0.00 H new ATOM 0 HB3 TYR A 46 8.484 4.862 5.127 1.00 0.00 H new ATOM 0 HD1 TYR A 46 8.226 7.359 3.985 1.00 0.00 H new ATOM 0 HD2 TYR A 46 5.070 5.037 5.658 1.00 0.00 H new ATOM 0 HE1 TYR A 46 6.918 9.404 4.352 1.00 0.00 H new ATOM 0 HE2 TYR A 46 3.755 7.081 6.020 1.00 0.00 H new ATOM 0 HH TYR A 46 4.209 9.855 4.550 1.00 0.00 H new ATOM 649 N ARG A 47 8.409 2.162 3.270 1.00 0.00 N ATOM 650 CA ARG A 47 9.264 0.983 3.202 1.00 0.00 C ATOM 651 C ARG A 47 9.937 0.879 1.836 1.00 0.00 C ATOM 652 O ARG A 47 11.163 0.922 1.732 1.00 0.00 O ATOM 653 CB ARG A 47 8.449 -0.282 3.478 1.00 0.00 C ATOM 654 CG ARG A 47 8.413 -0.675 4.945 1.00 0.00 C ATOM 655 CD ARG A 47 9.644 -1.476 5.338 1.00 0.00 C ATOM 656 NE ARG A 47 9.995 -1.287 6.743 1.00 0.00 N ATOM 657 CZ ARG A 47 10.890 -2.031 7.384 1.00 0.00 C ATOM 658 NH1 ARG A 47 11.523 -3.007 6.747 1.00 0.00 N ATOM 659 NH2 ARG A 47 11.156 -1.797 8.663 1.00 0.00 N ATOM 0 H ARG A 47 7.447 1.970 3.551 1.00 0.00 H new ATOM 0 HA ARG A 47 10.037 1.081 3.964 1.00 0.00 H new ATOM 0 HB2 ARG A 47 7.429 -0.131 3.126 1.00 0.00 H new ATOM 0 HB3 ARG A 47 8.867 -1.106 2.900 1.00 0.00 H new ATOM 0 HG2 ARG A 47 8.349 0.222 5.561 1.00 0.00 H new ATOM 0 HG3 ARG A 47 7.517 -1.263 5.143 1.00 0.00 H new ATOM 0 HD2 ARG A 47 9.463 -2.534 5.149 1.00 0.00 H new ATOM 0 HD3 ARG A 47 10.485 -1.179 4.711 1.00 0.00 H new ATOM 0 HE ARG A 47 9.527 -0.543 7.261 1.00 0.00 H new ATOM 0 HH11 ARG A 47 11.323 -3.188 5.763 1.00 0.00 H new ATOM 0 HH12 ARG A 47 12.210 -3.577 7.241 1.00 0.00 H new ATOM 0 HH21 ARG A 47 10.673 -1.045 9.155 1.00 0.00 H new ATOM 0 HH22 ARG A 47 11.843 -2.369 9.154 1.00 0.00 H new ATOM 673 N LEU A 48 9.127 0.742 0.792 1.00 0.00 N ATOM 674 CA LEU A 48 9.644 0.632 -0.568 1.00 0.00 C ATOM 675 C LEU A 48 10.826 1.572 -0.780 1.00 0.00 C ATOM 676 O LEU A 48 11.785 1.232 -1.471 1.00 0.00 O ATOM 677 CB LEU A 48 8.541 0.944 -1.581 1.00 0.00 C ATOM 678 CG LEU A 48 7.584 -0.203 -1.906 1.00 0.00 C ATOM 679 CD1 LEU A 48 6.369 0.314 -2.662 1.00 0.00 C ATOM 680 CD2 LEU A 48 8.297 -1.280 -2.711 1.00 0.00 C ATOM 0 H LEU A 48 8.110 0.704 0.861 1.00 0.00 H new ATOM 0 HA LEU A 48 9.987 -0.392 -0.718 1.00 0.00 H new ATOM 0 HB2 LEU A 48 7.956 1.783 -1.204 1.00 0.00 H new ATOM 0 HB3 LEU A 48 9.010 1.273 -2.508 1.00 0.00 H new ATOM 0 HG LEU A 48 7.243 -0.644 -0.969 1.00 0.00 H new ATOM 0 HD11 LEU A 48 5.699 -0.516 -2.885 1.00 0.00 H new ATOM 0 HD12 LEU A 48 5.845 1.049 -2.050 1.00 0.00 H new ATOM 0 HD13 LEU A 48 6.691 0.780 -3.593 1.00 0.00 H new ATOM 0 HD21 LEU A 48 7.601 -2.089 -2.933 1.00 0.00 H new ATOM 0 HD22 LEU A 48 8.667 -0.853 -3.643 1.00 0.00 H new ATOM 0 HD23 LEU A 48 9.135 -1.671 -2.134 1.00 0.00 H new ATOM 692 N GLN A 49 10.751 2.754 -0.176 1.00 0.00 N ATOM 693 CA GLN A 49 11.815 3.743 -0.298 1.00 0.00 C ATOM 694 C GLN A 49 12.147 4.355 1.058 1.00 0.00 C ATOM 695 O GLN A 49 11.501 5.298 1.517 1.00 0.00 O ATOM 696 CB GLN A 49 11.409 4.842 -1.281 1.00 0.00 C ATOM 697 CG GLN A 49 12.582 5.662 -1.795 1.00 0.00 C ATOM 698 CD GLN A 49 12.197 6.575 -2.943 1.00 0.00 C ATOM 699 OE1 GLN A 49 12.522 7.763 -2.941 1.00 0.00 O ATOM 700 NE2 GLN A 49 11.502 6.024 -3.930 1.00 0.00 N ATOM 0 H GLN A 49 9.965 3.050 0.402 1.00 0.00 H new ATOM 0 HA GLN A 49 12.704 3.238 -0.676 1.00 0.00 H new ATOM 0 HB2 GLN A 49 10.895 4.388 -2.128 1.00 0.00 H new ATOM 0 HB3 GLN A 49 10.696 5.508 -0.795 1.00 0.00 H new ATOM 0 HG2 GLN A 49 12.987 6.261 -0.979 1.00 0.00 H new ATOM 0 HG3 GLN A 49 13.376 4.990 -2.121 1.00 0.00 H new ATOM 0 HE21 GLN A 49 11.255 5.035 -3.890 1.00 0.00 H new ATOM 0 HE22 GLN A 49 11.215 6.589 -4.729 1.00 0.00 H new ATOM 709 N PRO A 50 13.179 3.809 1.718 1.00 0.00 N ATOM 710 CA PRO A 50 13.621 4.285 3.033 1.00 0.00 C ATOM 711 C PRO A 50 14.269 5.663 2.961 1.00 0.00 C ATOM 712 O PRO A 50 14.622 6.248 3.984 1.00 0.00 O ATOM 713 CB PRO A 50 14.645 3.234 3.466 1.00 0.00 C ATOM 714 CG PRO A 50 15.152 2.651 2.191 1.00 0.00 C ATOM 715 CD PRO A 50 13.995 2.683 1.233 1.00 0.00 C ATOM 0 HA PRO A 50 12.788 4.398 3.727 1.00 0.00 H new ATOM 0 HB2 PRO A 50 15.452 3.683 4.045 1.00 0.00 H new ATOM 0 HB3 PRO A 50 14.187 2.471 4.096 1.00 0.00 H new ATOM 0 HG2 PRO A 50 15.994 3.227 1.806 1.00 0.00 H new ATOM 0 HG3 PRO A 50 15.506 1.631 2.342 1.00 0.00 H new ATOM 0 HD2 PRO A 50 14.328 2.841 0.207 1.00 0.00 H new ATOM 0 HD3 PRO A 50 13.436 1.747 1.247 1.00 0.00 H new ATOM 723 N GLY A 51 14.424 6.178 1.745 1.00 0.00 N ATOM 724 CA GLY A 51 15.030 7.483 1.563 1.00 0.00 C ATOM 725 C GLY A 51 14.013 8.607 1.615 1.00 0.00 C ATOM 726 O GLY A 51 14.343 9.736 1.981 1.00 0.00 O ATOM 0 H GLY A 51 14.140 5.714 0.882 1.00 0.00 H new ATOM 0 HA2 GLY A 51 15.782 7.642 2.336 1.00 0.00 H new ATOM 0 HA3 GLY A 51 15.547 7.509 0.604 1.00 0.00 H new ATOM 730 N LEU A 52 12.776 8.299 1.245 1.00 0.00 N ATOM 731 CA LEU A 52 11.707 9.292 1.250 1.00 0.00 C ATOM 732 C LEU A 52 11.385 9.739 2.672 1.00 0.00 C ATOM 733 O LEU A 52 11.569 8.985 3.628 1.00 0.00 O ATOM 734 CB LEU A 52 10.453 8.723 0.585 1.00 0.00 C ATOM 735 CG LEU A 52 10.330 8.949 -0.922 1.00 0.00 C ATOM 736 CD1 LEU A 52 9.495 7.850 -1.561 1.00 0.00 C ATOM 737 CD2 LEU A 52 9.724 10.316 -1.208 1.00 0.00 C ATOM 0 H LEU A 52 12.488 7.370 0.938 1.00 0.00 H new ATOM 0 HA LEU A 52 12.048 10.160 0.685 1.00 0.00 H new ATOM 0 HB2 LEU A 52 10.421 7.650 0.775 1.00 0.00 H new ATOM 0 HB3 LEU A 52 9.580 9.159 1.070 1.00 0.00 H new ATOM 0 HG LEU A 52 11.329 8.917 -1.357 1.00 0.00 H new ATOM 0 HD11 LEU A 52 9.419 8.028 -2.634 1.00 0.00 H new ATOM 0 HD12 LEU A 52 9.970 6.884 -1.386 1.00 0.00 H new ATOM 0 HD13 LEU A 52 8.497 7.849 -1.122 1.00 0.00 H new ATOM 0 HD21 LEU A 52 9.644 10.460 -2.285 1.00 0.00 H new ATOM 0 HD22 LEU A 52 8.733 10.376 -0.759 1.00 0.00 H new ATOM 0 HD23 LEU A 52 10.361 11.092 -0.785 1.00 0.00 H new ATOM 749 N LEU A 53 10.900 10.969 2.804 1.00 0.00 N ATOM 750 CA LEU A 53 10.549 11.516 4.111 1.00 0.00 C ATOM 751 C LEU A 53 9.795 10.488 4.947 1.00 0.00 C ATOM 752 O LEU A 53 9.262 9.514 4.418 1.00 0.00 O ATOM 753 CB LEU A 53 9.699 12.777 3.945 1.00 0.00 C ATOM 754 CG LEU A 53 8.219 12.553 3.633 1.00 0.00 C ATOM 755 CD1 LEU A 53 8.054 11.474 2.573 1.00 0.00 C ATOM 756 CD2 LEU A 53 7.457 12.183 4.897 1.00 0.00 C ATOM 0 H LEU A 53 10.741 11.606 2.023 1.00 0.00 H new ATOM 0 HA LEU A 53 11.472 11.772 4.630 1.00 0.00 H new ATOM 0 HB2 LEU A 53 9.772 13.363 4.861 1.00 0.00 H new ATOM 0 HB3 LEU A 53 10.131 13.379 3.146 1.00 0.00 H new ATOM 0 HG LEU A 53 7.805 13.483 3.243 1.00 0.00 H new ATOM 0 HD11 LEU A 53 6.994 11.328 2.364 1.00 0.00 H new ATOM 0 HD12 LEU A 53 8.565 11.780 1.660 1.00 0.00 H new ATOM 0 HD13 LEU A 53 8.484 10.540 2.935 1.00 0.00 H new ATOM 0 HD21 LEU A 53 6.406 12.027 4.656 1.00 0.00 H new ATOM 0 HD22 LEU A 53 7.872 11.267 5.317 1.00 0.00 H new ATOM 0 HD23 LEU A 53 7.547 12.989 5.625 1.00 0.00 H new ATOM 768 N GLU A 54 9.755 10.713 6.257 1.00 0.00 N ATOM 769 CA GLU A 54 9.065 9.806 7.167 1.00 0.00 C ATOM 770 C GLU A 54 7.691 10.352 7.543 1.00 0.00 C ATOM 771 O GLU A 54 7.431 11.554 7.468 1.00 0.00 O ATOM 772 CB GLU A 54 9.899 9.582 8.429 1.00 0.00 C ATOM 773 CG GLU A 54 11.005 8.553 8.254 1.00 0.00 C ATOM 774 CD GLU A 54 12.053 8.632 9.347 1.00 0.00 C ATOM 775 OE1 GLU A 54 12.167 9.700 9.985 1.00 0.00 O ATOM 776 OE2 GLU A 54 12.759 7.625 9.564 1.00 0.00 O ATOM 0 H GLU A 54 10.192 11.515 6.711 1.00 0.00 H new ATOM 0 HA GLU A 54 8.930 8.853 6.655 1.00 0.00 H new ATOM 0 HB2 GLU A 54 10.341 10.530 8.735 1.00 0.00 H new ATOM 0 HB3 GLU A 54 9.241 9.262 9.237 1.00 0.00 H new ATOM 0 HG2 GLU A 54 10.569 7.554 8.245 1.00 0.00 H new ATOM 0 HG3 GLU A 54 11.483 8.700 7.286 1.00 0.00 H new ATOM 783 N PRO A 55 6.788 9.450 7.956 1.00 0.00 N ATOM 784 CA PRO A 55 5.426 9.819 8.352 1.00 0.00 C ATOM 785 C PRO A 55 5.392 10.598 9.662 1.00 0.00 C ATOM 786 O PRO A 55 4.325 10.852 10.218 1.00 0.00 O ATOM 787 CB PRO A 55 4.727 8.466 8.516 1.00 0.00 C ATOM 788 CG PRO A 55 5.825 7.507 8.822 1.00 0.00 C ATOM 789 CD PRO A 55 7.029 8.003 8.070 1.00 0.00 C ATOM 0 HA PRO A 55 4.953 10.474 7.621 1.00 0.00 H new ATOM 0 HB2 PRO A 55 3.991 8.495 9.320 1.00 0.00 H new ATOM 0 HB3 PRO A 55 4.195 8.182 7.608 1.00 0.00 H new ATOM 0 HG2 PRO A 55 6.022 7.469 9.893 1.00 0.00 H new ATOM 0 HG3 PRO A 55 5.559 6.497 8.511 1.00 0.00 H new ATOM 0 HD2 PRO A 55 7.954 7.791 8.607 1.00 0.00 H new ATOM 0 HD3 PRO A 55 7.114 7.531 7.091 1.00 0.00 H new ATOM 797 N SER A 56 6.569 10.975 10.151 1.00 0.00 N ATOM 798 CA SER A 56 6.676 11.723 11.398 1.00 0.00 C ATOM 799 C SER A 56 5.474 12.643 11.583 1.00 0.00 C ATOM 800 O SER A 56 5.007 12.854 12.702 1.00 0.00 O ATOM 801 CB SER A 56 7.968 12.543 11.418 1.00 0.00 C ATOM 802 OG SER A 56 9.082 11.747 11.053 1.00 0.00 O ATOM 0 H SER A 56 7.463 10.774 9.702 1.00 0.00 H new ATOM 0 HA SER A 56 6.696 11.008 12.221 1.00 0.00 H new ATOM 0 HB2 SER A 56 7.879 13.385 10.732 1.00 0.00 H new ATOM 0 HB3 SER A 56 8.124 12.958 12.414 1.00 0.00 H new ATOM 0 HG SER A 56 9.895 12.294 11.072 1.00 0.00 H new ATOM 808 N GLU A 57 4.977 13.188 10.477 1.00 0.00 N ATOM 809 CA GLU A 57 3.830 14.087 10.517 1.00 0.00 C ATOM 810 C GLU A 57 2.522 13.301 10.508 1.00 0.00 C ATOM 811 O GLU A 57 1.601 13.596 11.271 1.00 0.00 O ATOM 812 CB GLU A 57 3.866 15.051 9.329 1.00 0.00 C ATOM 813 CG GLU A 57 5.156 15.849 9.232 1.00 0.00 C ATOM 814 CD GLU A 57 5.369 16.761 10.424 1.00 0.00 C ATOM 815 OE1 GLU A 57 4.559 17.694 10.610 1.00 0.00 O ATOM 816 OE2 GLU A 57 6.345 16.542 11.171 1.00 0.00 O ATOM 0 H GLU A 57 5.351 13.023 9.543 1.00 0.00 H new ATOM 0 HA GLU A 57 3.884 14.661 11.442 1.00 0.00 H new ATOM 0 HB2 GLU A 57 3.729 14.485 8.408 1.00 0.00 H new ATOM 0 HB3 GLU A 57 3.026 15.742 9.407 1.00 0.00 H new ATOM 0 HG2 GLU A 57 5.998 15.162 9.150 1.00 0.00 H new ATOM 0 HG3 GLU A 57 5.142 16.446 8.320 1.00 0.00 H new ATOM 823 N LEU A 58 2.448 12.299 9.640 1.00 0.00 N ATOM 824 CA LEU A 58 1.253 11.469 9.529 1.00 0.00 C ATOM 825 C LEU A 58 0.804 10.975 10.901 1.00 0.00 C ATOM 826 O LEU A 58 -0.377 10.708 11.119 1.00 0.00 O ATOM 827 CB LEU A 58 1.520 10.276 8.608 1.00 0.00 C ATOM 828 CG LEU A 58 1.209 10.491 7.126 1.00 0.00 C ATOM 829 CD1 LEU A 58 2.113 11.565 6.542 1.00 0.00 C ATOM 830 CD2 LEU A 58 1.360 9.186 6.357 1.00 0.00 C ATOM 0 H LEU A 58 3.201 12.041 9.002 1.00 0.00 H new ATOM 0 HA LEU A 58 0.456 12.078 9.103 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.570 9.997 8.702 1.00 0.00 H new ATOM 0 HB3 LEU A 58 0.932 9.429 8.963 1.00 0.00 H new ATOM 0 HG LEU A 58 0.176 10.827 7.034 1.00 0.00 H new ATOM 0 HD11 LEU A 58 1.878 11.705 5.487 1.00 0.00 H new ATOM 0 HD12 LEU A 58 1.956 12.502 7.076 1.00 0.00 H new ATOM 0 HD13 LEU A 58 3.154 11.259 6.644 1.00 0.00 H new ATOM 0 HD21 LEU A 58 1.135 9.356 5.304 1.00 0.00 H new ATOM 0 HD22 LEU A 58 2.383 8.822 6.456 1.00 0.00 H new ATOM 0 HD23 LEU A 58 0.670 8.444 6.760 1.00 0.00 H new ATOM 842 N GLN A 59 1.755 10.859 11.822 1.00 0.00 N ATOM 843 CA GLN A 59 1.457 10.400 13.174 1.00 0.00 C ATOM 844 C GLN A 59 0.213 11.092 13.722 1.00 0.00 C ATOM 845 O GLN A 59 -0.618 10.469 14.381 1.00 0.00 O ATOM 846 CB GLN A 59 2.647 10.659 14.098 1.00 0.00 C ATOM 847 CG GLN A 59 3.692 9.554 14.070 1.00 0.00 C ATOM 848 CD GLN A 59 4.868 9.839 14.982 1.00 0.00 C ATOM 849 OE1 GLN A 59 5.648 10.761 14.739 1.00 0.00 O ATOM 850 NE2 GLN A 59 5.003 9.047 16.040 1.00 0.00 N ATOM 0 H GLN A 59 2.738 11.076 11.657 1.00 0.00 H new ATOM 0 HA GLN A 59 1.266 9.328 13.132 1.00 0.00 H new ATOM 0 HB2 GLN A 59 3.118 11.600 13.815 1.00 0.00 H new ATOM 0 HB3 GLN A 59 2.284 10.779 15.119 1.00 0.00 H new ATOM 0 HG2 GLN A 59 3.228 8.613 14.365 1.00 0.00 H new ATOM 0 HG3 GLN A 59 4.052 9.425 13.049 1.00 0.00 H new ATOM 0 HE21 GLN A 59 4.333 8.295 16.203 1.00 0.00 H new ATOM 0 HE22 GLN A 59 5.776 9.191 16.689 1.00 0.00 H new ATOM 859 N GLY A 60 0.091 12.387 13.445 1.00 0.00 N ATOM 860 CA GLY A 60 -1.053 13.142 13.918 1.00 0.00 C ATOM 861 C GLY A 60 -1.800 13.831 12.792 1.00 0.00 C ATOM 862 O GLY A 60 -2.026 15.041 12.835 1.00 0.00 O ATOM 0 H GLY A 60 0.765 12.926 12.901 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -1.733 12.473 14.445 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -0.719 13.889 14.638 1.00 0.00 H new ATOM 866 N LEU A 61 -2.182 13.060 11.780 1.00 0.00 N ATOM 867 CA LEU A 61 -2.906 13.603 10.635 1.00 0.00 C ATOM 868 C LEU A 61 -4.349 13.108 10.619 1.00 0.00 C ATOM 869 O LEU A 61 -5.285 13.889 10.783 1.00 0.00 O ATOM 870 CB LEU A 61 -2.207 13.212 9.333 1.00 0.00 C ATOM 871 CG LEU A 61 -1.139 14.183 8.827 1.00 0.00 C ATOM 872 CD1 LEU A 61 -0.650 13.769 7.447 1.00 0.00 C ATOM 873 CD2 LEU A 61 -1.681 15.604 8.799 1.00 0.00 C ATOM 0 H LEU A 61 -2.003 12.057 11.729 1.00 0.00 H new ATOM 0 HA LEU A 61 -2.915 14.689 10.724 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -1.745 12.235 9.471 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -2.964 13.099 8.557 1.00 0.00 H new ATOM 0 HG LEU A 61 -0.293 14.152 9.513 1.00 0.00 H new ATOM 0 HD11 LEU A 61 0.109 14.472 7.104 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -0.221 12.768 7.498 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -1.487 13.770 6.749 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -0.908 16.281 8.436 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -2.545 15.651 8.136 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -1.980 15.899 9.805 1.00 0.00 H new ATOM 885 N GLY A 62 -4.520 11.804 10.422 1.00 0.00 N ATOM 886 CA GLY A 62 -5.851 11.227 10.390 1.00 0.00 C ATOM 887 C GLY A 62 -5.939 10.021 9.476 1.00 0.00 C ATOM 888 O GLY A 62 -5.047 9.785 8.661 1.00 0.00 O ATOM 0 H GLY A 62 -3.760 11.137 10.284 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -6.142 10.936 11.399 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -6.563 11.983 10.059 1.00 0.00 H new ATOM 892 N ALA A 63 -7.016 9.255 9.611 1.00 0.00 N ATOM 893 CA ALA A 63 -7.217 8.068 8.789 1.00 0.00 C ATOM 894 C ALA A 63 -7.156 8.411 7.305 1.00 0.00 C ATOM 895 O ALA A 63 -6.480 7.735 6.529 1.00 0.00 O ATOM 896 CB ALA A 63 -8.547 7.411 9.128 1.00 0.00 C ATOM 0 H ALA A 63 -7.763 9.435 10.282 1.00 0.00 H new ATOM 0 HA ALA A 63 -6.412 7.366 9.005 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -8.684 6.526 8.507 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -8.552 7.121 10.179 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -9.358 8.115 8.942 1.00 0.00 H new ATOM 902 N LEU A 64 -7.868 9.463 6.916 1.00 0.00 N ATOM 903 CA LEU A 64 -7.896 9.895 5.522 1.00 0.00 C ATOM 904 C LEU A 64 -6.615 10.638 5.158 1.00 0.00 C ATOM 905 O LEU A 64 -5.932 10.281 4.198 1.00 0.00 O ATOM 906 CB LEU A 64 -9.108 10.793 5.271 1.00 0.00 C ATOM 907 CG LEU A 64 -9.715 10.724 3.870 1.00 0.00 C ATOM 908 CD1 LEU A 64 -10.004 9.282 3.483 1.00 0.00 C ATOM 909 CD2 LEU A 64 -10.984 11.562 3.795 1.00 0.00 C ATOM 0 H LEU A 64 -8.433 10.033 7.545 1.00 0.00 H new ATOM 0 HA LEU A 64 -7.972 9.008 4.893 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -9.882 10.535 5.994 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -8.818 11.825 5.469 1.00 0.00 H new ATOM 0 HG LEU A 64 -8.992 11.131 3.163 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -10.436 9.253 2.483 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -9.077 8.709 3.495 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -10.707 8.848 4.194 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -11.402 11.501 2.790 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -11.712 11.186 4.514 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -10.748 12.601 4.027 1.00 0.00 H new ATOM 921 N GLU A 65 -6.294 11.670 5.931 1.00 0.00 N ATOM 922 CA GLU A 65 -5.093 12.461 5.689 1.00 0.00 C ATOM 923 C GLU A 65 -3.921 11.566 5.299 1.00 0.00 C ATOM 924 O GLU A 65 -3.136 11.903 4.413 1.00 0.00 O ATOM 925 CB GLU A 65 -4.734 13.278 6.932 1.00 0.00 C ATOM 926 CG GLU A 65 -5.689 14.428 7.202 1.00 0.00 C ATOM 927 CD GLU A 65 -6.046 15.198 5.945 1.00 0.00 C ATOM 928 OE1 GLU A 65 -5.119 15.578 5.199 1.00 0.00 O ATOM 929 OE2 GLU A 65 -7.252 15.419 5.708 1.00 0.00 O ATOM 0 H GLU A 65 -6.848 11.978 6.730 1.00 0.00 H new ATOM 0 HA GLU A 65 -5.298 13.142 4.863 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -4.720 12.617 7.799 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -3.725 13.674 6.817 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -6.600 14.039 7.657 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -5.238 15.108 7.924 1.00 0.00 H new ATOM 936 N ALA A 66 -3.809 10.423 5.968 1.00 0.00 N ATOM 937 CA ALA A 66 -2.734 9.477 5.690 1.00 0.00 C ATOM 938 C ALA A 66 -2.799 8.980 4.251 1.00 0.00 C ATOM 939 O ALA A 66 -1.923 9.280 3.438 1.00 0.00 O ATOM 940 CB ALA A 66 -2.799 8.306 6.659 1.00 0.00 C ATOM 0 H ALA A 66 -4.449 10.129 6.706 1.00 0.00 H new ATOM 0 HA ALA A 66 -1.784 9.994 5.825 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -1.991 7.608 6.440 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -2.695 8.673 7.680 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -3.757 7.798 6.552 1.00 0.00 H new ATOM 946 N THR A 67 -3.842 8.217 3.939 1.00 0.00 N ATOM 947 CA THR A 67 -4.019 7.675 2.597 1.00 0.00 C ATOM 948 C THR A 67 -3.648 8.705 1.536 1.00 0.00 C ATOM 949 O THR A 67 -3.079 8.364 0.499 1.00 0.00 O ATOM 950 CB THR A 67 -5.471 7.215 2.365 1.00 0.00 C ATOM 951 OG1 THR A 67 -5.924 6.442 3.481 1.00 0.00 O ATOM 952 CG2 THR A 67 -5.578 6.389 1.092 1.00 0.00 C ATOM 0 H THR A 67 -4.577 7.960 4.598 1.00 0.00 H new ATOM 0 HA THR A 67 -3.355 6.815 2.512 1.00 0.00 H new ATOM 0 HB THR A 67 -6.098 8.100 2.259 1.00 0.00 H new ATOM 0 HG1 THR A 67 -6.585 5.785 3.177 1.00 0.00 H new ATOM 0 HG21 THR A 67 -6.612 6.075 0.948 1.00 0.00 H new ATOM 0 HG22 THR A 67 -5.259 6.990 0.240 1.00 0.00 H new ATOM 0 HG23 THR A 67 -4.940 5.509 1.174 1.00 0.00 H new ATOM 960 N ALA A 68 -3.976 9.965 1.801 1.00 0.00 N ATOM 961 CA ALA A 68 -3.674 11.045 0.869 1.00 0.00 C ATOM 962 C ALA A 68 -2.195 11.051 0.496 1.00 0.00 C ATOM 963 O ALA A 68 -1.844 11.023 -0.684 1.00 0.00 O ATOM 964 CB ALA A 68 -4.075 12.385 1.467 1.00 0.00 C ATOM 0 H ALA A 68 -4.451 10.263 2.653 1.00 0.00 H new ATOM 0 HA ALA A 68 -4.250 10.878 -0.041 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -3.844 13.182 0.761 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -5.145 12.384 1.676 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -3.524 12.550 2.393 1.00 0.00 H new ATOM 970 N TRP A 69 -1.336 11.088 1.507 1.00 0.00 N ATOM 971 CA TRP A 69 0.105 11.099 1.283 1.00 0.00 C ATOM 972 C TRP A 69 0.541 9.884 0.472 1.00 0.00 C ATOM 973 O TRP A 69 1.074 10.019 -0.629 1.00 0.00 O ATOM 974 CB TRP A 69 0.849 11.129 2.620 1.00 0.00 C ATOM 975 CG TRP A 69 2.335 11.001 2.475 1.00 0.00 C ATOM 976 CD1 TRP A 69 3.233 12.017 2.310 1.00 0.00 C ATOM 977 CD2 TRP A 69 3.096 9.788 2.481 1.00 0.00 C ATOM 978 NE1 TRP A 69 4.506 11.509 2.213 1.00 0.00 N ATOM 979 CE2 TRP A 69 4.450 10.144 2.316 1.00 0.00 C ATOM 980 CE3 TRP A 69 2.767 8.437 2.612 1.00 0.00 C ATOM 981 CZ2 TRP A 69 5.469 9.197 2.277 1.00 0.00 C ATOM 982 CZ3 TRP A 69 3.780 7.497 2.573 1.00 0.00 C ATOM 983 CH2 TRP A 69 5.118 7.881 2.407 1.00 0.00 C ATOM 0 H TRP A 69 -1.611 11.111 2.489 1.00 0.00 H new ATOM 0 HA TRP A 69 0.352 11.997 0.716 1.00 0.00 H new ATOM 0 HB2 TRP A 69 0.620 12.062 3.134 1.00 0.00 H new ATOM 0 HB3 TRP A 69 0.481 10.319 3.251 1.00 0.00 H new ATOM 0 HD1 TRP A 69 2.980 13.066 2.263 1.00 0.00 H new ATOM 0 HE1 TRP A 69 5.355 12.059 2.085 1.00 0.00 H new ATOM 0 HE3 TRP A 69 1.739 8.132 2.742 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 6.500 9.490 2.149 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 3.537 6.449 2.672 1.00 0.00 H new ATOM 0 HH2 TRP A 69 5.887 7.123 2.381 1.00 0.00 H new ATOM 994 N ALA A 70 0.308 8.696 1.022 1.00 0.00 N ATOM 995 CA ALA A 70 0.673 7.457 0.348 1.00 0.00 C ATOM 996 C ALA A 70 0.429 7.557 -1.154 1.00 0.00 C ATOM 997 O ALA A 70 1.342 7.360 -1.956 1.00 0.00 O ATOM 998 CB ALA A 70 -0.105 6.289 0.934 1.00 0.00 C ATOM 0 H ALA A 70 -0.132 8.566 1.933 1.00 0.00 H new ATOM 0 HA ALA A 70 1.738 7.286 0.506 1.00 0.00 H new ATOM 0 HB1 ALA A 70 0.178 5.370 0.421 1.00 0.00 H new ATOM 0 HB2 ALA A 70 0.122 6.197 1.996 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -1.173 6.462 0.805 1.00 0.00 H new ATOM 1004 N LEU A 71 -0.808 7.865 -1.529 1.00 0.00 N ATOM 1005 CA LEU A 71 -1.172 7.990 -2.936 1.00 0.00 C ATOM 1006 C LEU A 71 -0.296 9.025 -3.635 1.00 0.00 C ATOM 1007 O LEU A 71 -0.002 8.903 -4.825 1.00 0.00 O ATOM 1008 CB LEU A 71 -2.645 8.381 -3.069 1.00 0.00 C ATOM 1009 CG LEU A 71 -3.661 7.272 -2.790 1.00 0.00 C ATOM 1010 CD1 LEU A 71 -4.978 7.863 -2.310 1.00 0.00 C ATOM 1011 CD2 LEU A 71 -3.877 6.422 -4.034 1.00 0.00 C ATOM 0 H LEU A 71 -1.575 8.033 -0.878 1.00 0.00 H new ATOM 0 HA LEU A 71 -1.013 7.023 -3.414 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -2.844 9.208 -2.388 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -2.812 8.753 -4.080 1.00 0.00 H new ATOM 0 HG LEU A 71 -3.265 6.632 -2.001 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -5.688 7.059 -2.117 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -4.811 8.428 -1.393 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -5.380 8.526 -3.076 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -4.603 5.638 -3.817 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -4.251 7.049 -4.843 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -2.932 5.969 -4.334 1.00 0.00 H new ATOM 1023 N LYS A 72 0.122 10.042 -2.888 1.00 0.00 N ATOM 1024 CA LYS A 72 0.969 11.096 -3.434 1.00 0.00 C ATOM 1025 C LYS A 72 2.386 10.587 -3.672 1.00 0.00 C ATOM 1026 O LYS A 72 2.814 10.422 -4.814 1.00 0.00 O ATOM 1027 CB LYS A 72 0.998 12.296 -2.485 1.00 0.00 C ATOM 1028 CG LYS A 72 1.337 13.607 -3.174 1.00 0.00 C ATOM 1029 CD LYS A 72 1.542 14.728 -2.168 1.00 0.00 C ATOM 1030 CE LYS A 72 0.221 15.366 -1.768 1.00 0.00 C ATOM 1031 NZ LYS A 72 -0.435 16.051 -2.917 1.00 0.00 N ATOM 0 H LYS A 72 -0.112 10.158 -1.902 1.00 0.00 H new ATOM 0 HA LYS A 72 0.549 11.407 -4.391 1.00 0.00 H new ATOM 0 HB2 LYS A 72 0.026 12.390 -2.001 1.00 0.00 H new ATOM 0 HB3 LYS A 72 1.729 12.109 -1.698 1.00 0.00 H new ATOM 0 HG2 LYS A 72 2.241 13.483 -3.771 1.00 0.00 H new ATOM 0 HG3 LYS A 72 0.535 13.876 -3.862 1.00 0.00 H new ATOM 0 HD2 LYS A 72 2.041 14.336 -1.282 1.00 0.00 H new ATOM 0 HD3 LYS A 72 2.199 15.486 -2.595 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -0.447 14.601 -1.372 1.00 0.00 H new ATOM 0 HE3 LYS A 72 0.393 16.085 -0.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -0.584 17.054 -2.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 0.172 15.977 -3.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -1.352 15.601 -3.112 1.00 0.00 H new ATOM 1045 N VAL A 73 3.110 10.338 -2.585 1.00 0.00 N ATOM 1046 CA VAL A 73 4.480 9.844 -2.676 1.00 0.00 C ATOM 1047 C VAL A 73 4.572 8.647 -3.615 1.00 0.00 C ATOM 1048 O VAL A 73 5.617 8.394 -4.213 1.00 0.00 O ATOM 1049 CB VAL A 73 5.023 9.439 -1.292 1.00 0.00 C ATOM 1050 CG1 VAL A 73 6.334 8.680 -1.435 1.00 0.00 C ATOM 1051 CG2 VAL A 73 5.201 10.666 -0.411 1.00 0.00 C ATOM 0 H VAL A 73 2.771 10.470 -1.632 1.00 0.00 H new ATOM 0 HA VAL A 73 5.085 10.660 -3.072 1.00 0.00 H new ATOM 0 HB VAL A 73 4.299 8.779 -0.814 1.00 0.00 H new ATOM 0 HG11 VAL A 73 6.703 8.402 -0.448 1.00 0.00 H new ATOM 0 HG12 VAL A 73 6.171 7.780 -2.028 1.00 0.00 H new ATOM 0 HG13 VAL A 73 7.069 9.313 -1.932 1.00 0.00 H new ATOM 0 HG21 VAL A 73 5.585 10.362 0.563 1.00 0.00 H new ATOM 0 HG22 VAL A 73 5.905 11.352 -0.881 1.00 0.00 H new ATOM 0 HG23 VAL A 73 4.240 11.164 -0.283 1.00 0.00 H new ATOM 1061 N ALA A 74 3.470 7.916 -3.743 1.00 0.00 N ATOM 1062 CA ALA A 74 3.425 6.747 -4.612 1.00 0.00 C ATOM 1063 C ALA A 74 3.256 7.155 -6.072 1.00 0.00 C ATOM 1064 O ALA A 74 3.695 6.447 -6.978 1.00 0.00 O ATOM 1065 CB ALA A 74 2.298 5.816 -4.189 1.00 0.00 C ATOM 0 H ALA A 74 2.596 8.113 -3.256 1.00 0.00 H new ATOM 0 HA ALA A 74 4.373 6.218 -4.516 1.00 0.00 H new ATOM 0 HB1 ALA A 74 2.277 4.948 -4.847 1.00 0.00 H new ATOM 0 HB2 ALA A 74 2.462 5.489 -3.162 1.00 0.00 H new ATOM 0 HB3 ALA A 74 1.346 6.344 -4.254 1.00 0.00 H new ATOM 1071 N GLU A 75 2.615 8.299 -6.292 1.00 0.00 N ATOM 1072 CA GLU A 75 2.388 8.799 -7.643 1.00 0.00 C ATOM 1073 C GLU A 75 3.544 9.686 -8.096 1.00 0.00 C ATOM 1074 O GLU A 75 3.753 9.886 -9.292 1.00 0.00 O ATOM 1075 CB GLU A 75 1.075 9.581 -7.706 1.00 0.00 C ATOM 1076 CG GLU A 75 0.761 10.133 -9.086 1.00 0.00 C ATOM 1077 CD GLU A 75 1.380 11.496 -9.325 1.00 0.00 C ATOM 1078 OE1 GLU A 75 1.401 12.312 -8.380 1.00 0.00 O ATOM 1079 OE2 GLU A 75 1.845 11.747 -10.457 1.00 0.00 O ATOM 0 H GLU A 75 2.244 8.896 -5.553 1.00 0.00 H new ATOM 0 HA GLU A 75 2.325 7.943 -8.315 1.00 0.00 H new ATOM 0 HB2 GLU A 75 0.259 8.931 -7.390 1.00 0.00 H new ATOM 0 HB3 GLU A 75 1.119 10.406 -6.995 1.00 0.00 H new ATOM 0 HG2 GLU A 75 1.123 9.436 -9.842 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -0.320 10.203 -9.208 1.00 0.00 H new ATOM 1086 N ASN A 76 4.290 10.216 -7.133 1.00 0.00 N ATOM 1087 CA ASN A 76 5.424 11.082 -7.432 1.00 0.00 C ATOM 1088 C ASN A 76 6.709 10.270 -7.562 1.00 0.00 C ATOM 1089 O ASN A 76 7.303 10.201 -8.637 1.00 0.00 O ATOM 1090 CB ASN A 76 5.584 12.142 -6.340 1.00 0.00 C ATOM 1091 CG ASN A 76 4.575 13.265 -6.471 1.00 0.00 C ATOM 1092 OD1 ASN A 76 4.417 13.851 -7.543 1.00 0.00 O ATOM 1093 ND2 ASN A 76 3.885 13.572 -5.379 1.00 0.00 N ATOM 0 H ASN A 76 4.129 10.061 -6.138 1.00 0.00 H new ATOM 0 HA ASN A 76 5.231 11.577 -8.384 1.00 0.00 H new ATOM 0 HB2 ASN A 76 5.475 11.672 -5.363 1.00 0.00 H new ATOM 0 HB3 ASN A 76 6.591 12.556 -6.384 1.00 0.00 H new ATOM 0 HD21 ASN A 76 3.192 14.320 -5.407 1.00 0.00 H new ATOM 0 HD22 ASN A 76 4.048 13.060 -4.512 1.00 0.00 H new ATOM 1100 N GLU A 77 7.131 9.659 -6.460 1.00 0.00 N ATOM 1101 CA GLU A 77 8.346 8.853 -6.452 1.00 0.00 C ATOM 1102 C GLU A 77 8.124 7.526 -7.172 1.00 0.00 C ATOM 1103 O GLU A 77 8.672 7.292 -8.250 1.00 0.00 O ATOM 1104 CB GLU A 77 8.805 8.595 -5.015 1.00 0.00 C ATOM 1105 CG GLU A 77 9.763 9.648 -4.485 1.00 0.00 C ATOM 1106 CD GLU A 77 10.891 9.951 -5.452 1.00 0.00 C ATOM 1107 OE1 GLU A 77 11.473 8.993 -6.002 1.00 0.00 O ATOM 1108 OE2 GLU A 77 11.191 11.145 -5.659 1.00 0.00 O ATOM 0 H GLU A 77 6.650 9.707 -5.562 1.00 0.00 H new ATOM 0 HA GLU A 77 9.122 9.408 -6.980 1.00 0.00 H new ATOM 0 HB2 GLU A 77 7.931 8.551 -4.365 1.00 0.00 H new ATOM 0 HB3 GLU A 77 9.288 7.619 -4.966 1.00 0.00 H new ATOM 0 HG2 GLU A 77 9.211 10.565 -4.278 1.00 0.00 H new ATOM 0 HG3 GLU A 77 10.183 9.308 -3.538 1.00 0.00 H new ATOM 1115 N LEU A 78 7.316 6.660 -6.568 1.00 0.00 N ATOM 1116 CA LEU A 78 7.021 5.356 -7.150 1.00 0.00 C ATOM 1117 C LEU A 78 6.348 5.507 -8.510 1.00 0.00 C ATOM 1118 O LEU A 78 6.513 4.665 -9.393 1.00 0.00 O ATOM 1119 CB LEU A 78 6.123 4.548 -6.211 1.00 0.00 C ATOM 1120 CG LEU A 78 6.442 4.657 -4.719 1.00 0.00 C ATOM 1121 CD1 LEU A 78 5.519 3.759 -3.909 1.00 0.00 C ATOM 1122 CD2 LEU A 78 7.898 4.300 -4.458 1.00 0.00 C ATOM 0 H LEU A 78 6.854 6.838 -5.676 1.00 0.00 H new ATOM 0 HA LEU A 78 7.963 4.825 -7.288 1.00 0.00 H new ATOM 0 HB2 LEU A 78 5.091 4.864 -6.366 1.00 0.00 H new ATOM 0 HB3 LEU A 78 6.181 3.498 -6.499 1.00 0.00 H new ATOM 0 HG LEU A 78 6.279 5.688 -4.407 1.00 0.00 H new ATOM 0 HD11 LEU A 78 5.761 3.850 -2.850 1.00 0.00 H new ATOM 0 HD12 LEU A 78 4.484 4.059 -4.072 1.00 0.00 H new ATOM 0 HD13 LEU A 78 5.650 2.724 -4.224 1.00 0.00 H new ATOM 0 HD21 LEU A 78 8.107 4.383 -3.392 1.00 0.00 H new ATOM 0 HD22 LEU A 78 8.087 3.278 -4.786 1.00 0.00 H new ATOM 0 HD23 LEU A 78 8.545 4.983 -5.009 1.00 0.00 H new ATOM 1134 N GLY A 79 5.590 6.586 -8.674 1.00 0.00 N ATOM 1135 CA GLY A 79 4.904 6.829 -9.930 1.00 0.00 C ATOM 1136 C GLY A 79 3.618 6.038 -10.051 1.00 0.00 C ATOM 1137 O GLY A 79 2.875 6.192 -11.021 1.00 0.00 O ATOM 0 H GLY A 79 5.438 7.297 -7.959 1.00 0.00 H new ATOM 0 HA2 GLY A 79 4.682 7.892 -10.019 1.00 0.00 H new ATOM 0 HA3 GLY A 79 5.565 6.570 -10.757 1.00 0.00 H new ATOM 1141 N ILE A 80 3.354 5.186 -9.066 1.00 0.00 N ATOM 1142 CA ILE A 80 2.148 4.367 -9.066 1.00 0.00 C ATOM 1143 C ILE A 80 0.894 5.235 -9.098 1.00 0.00 C ATOM 1144 O ILE A 80 0.292 5.515 -8.060 1.00 0.00 O ATOM 1145 CB ILE A 80 2.091 3.447 -7.833 1.00 0.00 C ATOM 1146 CG1 ILE A 80 3.366 2.606 -7.739 1.00 0.00 C ATOM 1147 CG2 ILE A 80 0.863 2.551 -7.897 1.00 0.00 C ATOM 1148 CD1 ILE A 80 3.506 1.595 -8.855 1.00 0.00 C ATOM 0 H ILE A 80 3.959 5.045 -8.257 1.00 0.00 H new ATOM 0 HA ILE A 80 2.185 3.752 -9.965 1.00 0.00 H new ATOM 0 HB ILE A 80 2.019 4.066 -6.939 1.00 0.00 H new ATOM 0 HG12 ILE A 80 4.231 3.269 -7.750 1.00 0.00 H new ATOM 0 HG13 ILE A 80 3.377 2.083 -6.783 1.00 0.00 H new ATOM 0 HG21 ILE A 80 0.837 1.906 -7.018 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -0.036 3.167 -7.922 1.00 0.00 H new ATOM 0 HG23 ILE A 80 0.907 1.937 -8.796 1.00 0.00 H new ATOM 0 HD11 ILE A 80 4.432 1.035 -8.725 1.00 0.00 H new ATOM 0 HD12 ILE A 80 2.660 0.908 -8.832 1.00 0.00 H new ATOM 0 HD13 ILE A 80 3.527 2.112 -9.814 1.00 0.00 H new ATOM 1160 N THR A 81 0.504 5.658 -10.296 1.00 0.00 N ATOM 1161 CA THR A 81 -0.680 6.494 -10.463 1.00 0.00 C ATOM 1162 C THR A 81 -1.826 6.006 -9.585 1.00 0.00 C ATOM 1163 O THR A 81 -2.080 4.807 -9.463 1.00 0.00 O ATOM 1164 CB THR A 81 -1.146 6.519 -11.931 1.00 0.00 C ATOM 1165 OG1 THR A 81 -0.120 7.069 -12.762 1.00 0.00 O ATOM 1166 CG2 THR A 81 -2.420 7.338 -12.079 1.00 0.00 C ATOM 0 H THR A 81 0.990 5.436 -11.165 1.00 0.00 H new ATOM 0 HA THR A 81 -0.400 7.503 -10.161 1.00 0.00 H new ATOM 0 HB THR A 81 -1.352 5.495 -12.241 1.00 0.00 H new ATOM 0 HG1 THR A 81 -0.424 7.079 -13.694 1.00 0.00 H new ATOM 0 HG21 THR A 81 -2.731 7.342 -13.124 1.00 0.00 H new ATOM 0 HG22 THR A 81 -3.208 6.899 -11.468 1.00 0.00 H new ATOM 0 HG23 THR A 81 -2.235 8.361 -11.752 1.00 0.00 H new ATOM 1174 N PRO A 82 -2.537 6.953 -8.957 1.00 0.00 N ATOM 1175 CA PRO A 82 -3.670 6.644 -8.080 1.00 0.00 C ATOM 1176 C PRO A 82 -4.874 6.115 -8.852 1.00 0.00 C ATOM 1177 O PRO A 82 -5.574 6.872 -9.524 1.00 0.00 O ATOM 1178 CB PRO A 82 -3.998 7.993 -7.436 1.00 0.00 C ATOM 1179 CG PRO A 82 -3.504 9.008 -8.408 1.00 0.00 C ATOM 1180 CD PRO A 82 -2.290 8.403 -9.056 1.00 0.00 C ATOM 0 HA PRO A 82 -3.427 5.861 -7.362 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -5.069 8.099 -7.263 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -3.507 8.100 -6.469 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -4.267 9.242 -9.150 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -3.253 9.941 -7.904 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -2.186 8.723 -10.093 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -1.374 8.691 -8.540 1.00 0.00 H new ATOM 1188 N VAL A 83 -5.107 4.810 -8.752 1.00 0.00 N ATOM 1189 CA VAL A 83 -6.227 4.180 -9.440 1.00 0.00 C ATOM 1190 C VAL A 83 -7.520 4.338 -8.647 1.00 0.00 C ATOM 1191 O VAL A 83 -8.611 4.363 -9.215 1.00 0.00 O ATOM 1192 CB VAL A 83 -5.967 2.681 -9.681 1.00 0.00 C ATOM 1193 CG1 VAL A 83 -6.334 1.870 -8.448 1.00 0.00 C ATOM 1194 CG2 VAL A 83 -6.739 2.195 -10.899 1.00 0.00 C ATOM 0 H VAL A 83 -4.535 4.169 -8.202 1.00 0.00 H new ATOM 0 HA VAL A 83 -6.330 4.683 -10.401 1.00 0.00 H new ATOM 0 HB VAL A 83 -4.903 2.541 -9.874 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -6.144 0.814 -8.637 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -5.732 2.201 -7.602 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -7.390 2.013 -8.220 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -6.543 1.134 -11.054 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -7.806 2.347 -10.738 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -6.421 2.755 -11.778 1.00 0.00 H new ATOM 1204 N VAL A 84 -7.388 4.446 -7.328 1.00 0.00 N ATOM 1205 CA VAL A 84 -8.546 4.604 -6.455 1.00 0.00 C ATOM 1206 C VAL A 84 -8.487 5.928 -5.700 1.00 0.00 C ATOM 1207 O VAL A 84 -7.408 6.457 -5.436 1.00 0.00 O ATOM 1208 CB VAL A 84 -8.644 3.451 -5.440 1.00 0.00 C ATOM 1209 CG1 VAL A 84 -9.683 3.765 -4.374 1.00 0.00 C ATOM 1210 CG2 VAL A 84 -8.971 2.145 -6.148 1.00 0.00 C ATOM 0 H VAL A 84 -6.492 4.427 -6.841 1.00 0.00 H new ATOM 0 HA VAL A 84 -9.429 4.592 -7.094 1.00 0.00 H new ATOM 0 HB VAL A 84 -7.678 3.339 -4.949 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -9.738 2.939 -3.665 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -9.400 4.676 -3.847 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -10.656 3.905 -4.845 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -9.037 1.341 -5.415 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -9.924 2.241 -6.667 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -8.187 1.916 -6.869 1.00 0.00 H new ATOM 1220 N SER A 85 -9.656 6.458 -5.356 1.00 0.00 N ATOM 1221 CA SER A 85 -9.740 7.722 -4.633 1.00 0.00 C ATOM 1222 C SER A 85 -9.533 7.507 -3.136 1.00 0.00 C ATOM 1223 O SER A 85 -10.211 6.689 -2.517 1.00 0.00 O ATOM 1224 CB SER A 85 -11.094 8.388 -4.882 1.00 0.00 C ATOM 1225 OG SER A 85 -11.251 8.731 -6.248 1.00 0.00 O ATOM 0 H SER A 85 -10.559 6.032 -5.566 1.00 0.00 H new ATOM 0 HA SER A 85 -8.949 8.376 -5.001 1.00 0.00 H new ATOM 0 HB2 SER A 85 -11.895 7.714 -4.579 1.00 0.00 H new ATOM 0 HB3 SER A 85 -11.181 9.284 -4.267 1.00 0.00 H new ATOM 0 HG SER A 85 -12.125 9.153 -6.381 1.00 0.00 H new ATOM 1231 N ALA A 86 -8.590 8.249 -2.563 1.00 0.00 N ATOM 1232 CA ALA A 86 -8.295 8.142 -1.141 1.00 0.00 C ATOM 1233 C ALA A 86 -9.561 7.872 -0.335 1.00 0.00 C ATOM 1234 O ALA A 86 -9.581 6.999 0.532 1.00 0.00 O ATOM 1235 CB ALA A 86 -7.613 9.409 -0.647 1.00 0.00 C ATOM 0 H ALA A 86 -8.018 8.930 -3.063 1.00 0.00 H new ATOM 0 HA ALA A 86 -7.619 7.299 -0.999 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -7.398 9.315 0.418 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -6.682 9.558 -1.193 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -8.270 10.263 -0.811 1.00 0.00 H new ATOM 1241 N GLN A 87 -10.615 8.629 -0.628 1.00 0.00 N ATOM 1242 CA GLN A 87 -11.884 8.471 0.071 1.00 0.00 C ATOM 1243 C GLN A 87 -12.440 7.064 -0.121 1.00 0.00 C ATOM 1244 O GLN A 87 -12.834 6.404 0.841 1.00 0.00 O ATOM 1245 CB GLN A 87 -12.896 9.505 -0.426 1.00 0.00 C ATOM 1246 CG GLN A 87 -14.090 9.682 0.498 1.00 0.00 C ATOM 1247 CD GLN A 87 -15.206 8.698 0.207 1.00 0.00 C ATOM 1248 OE1 GLN A 87 -15.024 7.740 -0.546 1.00 0.00 O ATOM 1249 NE2 GLN A 87 -16.368 8.928 0.804 1.00 0.00 N ATOM 0 H GLN A 87 -10.614 9.356 -1.343 1.00 0.00 H new ATOM 0 HA GLN A 87 -11.706 8.629 1.135 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -12.393 10.465 -0.544 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -13.252 9.208 -1.413 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -13.765 9.562 1.532 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -14.472 10.698 0.400 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -16.474 9.734 1.420 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -17.155 8.299 0.647 1.00 0.00 H new ATOM 1258 N ALA A 88 -12.471 6.610 -1.370 1.00 0.00 N ATOM 1259 CA ALA A 88 -12.977 5.281 -1.687 1.00 0.00 C ATOM 1260 C ALA A 88 -12.293 4.215 -0.839 1.00 0.00 C ATOM 1261 O ALA A 88 -12.950 3.348 -0.262 1.00 0.00 O ATOM 1262 CB ALA A 88 -12.788 4.983 -3.167 1.00 0.00 C ATOM 0 H ALA A 88 -12.151 7.144 -2.178 1.00 0.00 H new ATOM 0 HA ALA A 88 -14.042 5.261 -1.457 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -13.171 3.987 -3.389 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -13.330 5.720 -3.759 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -11.727 5.028 -3.415 1.00 0.00 H new ATOM 1268 N VAL A 89 -10.966 4.284 -0.767 1.00 0.00 N ATOM 1269 CA VAL A 89 -10.192 3.325 0.011 1.00 0.00 C ATOM 1270 C VAL A 89 -10.648 3.302 1.465 1.00 0.00 C ATOM 1271 O VAL A 89 -11.064 2.264 1.981 1.00 0.00 O ATOM 1272 CB VAL A 89 -8.687 3.646 -0.039 1.00 0.00 C ATOM 1273 CG1 VAL A 89 -7.907 2.693 0.852 1.00 0.00 C ATOM 1274 CG2 VAL A 89 -8.178 3.590 -1.471 1.00 0.00 C ATOM 0 H VAL A 89 -10.406 4.994 -1.238 1.00 0.00 H new ATOM 0 HA VAL A 89 -10.361 2.345 -0.435 1.00 0.00 H new ATOM 0 HB VAL A 89 -8.537 4.658 0.336 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -6.846 2.936 0.803 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -8.255 2.790 1.881 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -8.061 1.669 0.512 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -7.113 3.819 -1.488 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -8.340 2.591 -1.876 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -8.716 4.319 -2.077 1.00 0.00 H new ATOM 1284 N VAL A 90 -10.568 4.454 2.123 1.00 0.00 N ATOM 1285 CA VAL A 90 -10.973 4.567 3.519 1.00 0.00 C ATOM 1286 C VAL A 90 -12.469 4.316 3.679 1.00 0.00 C ATOM 1287 O VAL A 90 -12.882 3.356 4.329 1.00 0.00 O ATOM 1288 CB VAL A 90 -10.634 5.956 4.092 1.00 0.00 C ATOM 1289 CG1 VAL A 90 -11.083 6.061 5.541 1.00 0.00 C ATOM 1290 CG2 VAL A 90 -9.143 6.233 3.966 1.00 0.00 C ATOM 0 H VAL A 90 -10.226 5.323 1.712 1.00 0.00 H new ATOM 0 HA VAL A 90 -10.418 3.809 4.071 1.00 0.00 H new ATOM 0 HB VAL A 90 -11.171 6.709 3.516 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -10.835 7.049 5.928 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -12.161 5.908 5.600 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -10.576 5.301 6.135 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -8.920 7.218 4.375 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -8.585 5.476 4.517 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -8.855 6.203 2.915 1.00 0.00 H new ATOM 1300 N ALA A 91 -13.276 5.185 3.080 1.00 0.00 N ATOM 1301 CA ALA A 91 -14.727 5.057 3.153 1.00 0.00 C ATOM 1302 C ALA A 91 -15.152 3.594 3.085 1.00 0.00 C ATOM 1303 O ALA A 91 -16.018 3.153 3.839 1.00 0.00 O ATOM 1304 CB ALA A 91 -15.384 5.853 2.037 1.00 0.00 C ATOM 0 H ALA A 91 -12.950 5.986 2.539 1.00 0.00 H new ATOM 0 HA ALA A 91 -15.055 5.459 4.111 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -16.467 5.748 2.104 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -15.115 6.905 2.133 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -15.042 5.478 1.072 1.00 0.00 H new ATOM 1310 N GLY A 92 -14.537 2.846 2.174 1.00 0.00 N ATOM 1311 CA GLY A 92 -14.867 1.440 2.024 1.00 0.00 C ATOM 1312 C GLY A 92 -15.998 1.212 1.040 1.00 0.00 C ATOM 1313 O GLY A 92 -16.898 0.412 1.294 1.00 0.00 O ATOM 0 H GLY A 92 -13.817 3.188 1.538 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -13.983 0.896 1.690 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -15.146 1.030 2.995 1.00 0.00 H new ATOM 1317 N SER A 93 -15.954 1.919 -0.085 1.00 0.00 N ATOM 1318 CA SER A 93 -16.986 1.794 -1.107 1.00 0.00 C ATOM 1319 C SER A 93 -16.491 0.948 -2.277 1.00 0.00 C ATOM 1320 O SER A 93 -17.200 0.067 -2.764 1.00 0.00 O ATOM 1321 CB SER A 93 -17.410 3.176 -1.606 1.00 0.00 C ATOM 1322 OG SER A 93 -18.153 3.079 -2.808 1.00 0.00 O ATOM 0 H SER A 93 -15.215 2.584 -0.311 1.00 0.00 H new ATOM 0 HA SER A 93 -17.847 1.298 -0.660 1.00 0.00 H new ATOM 0 HB2 SER A 93 -18.010 3.673 -0.843 1.00 0.00 H new ATOM 0 HB3 SER A 93 -16.527 3.794 -1.770 1.00 0.00 H new ATOM 0 HG SER A 93 -18.413 3.976 -3.105 1.00 0.00 H new ATOM 1328 N ASP A 94 -15.271 1.223 -2.723 1.00 0.00 N ATOM 1329 CA ASP A 94 -14.680 0.488 -3.835 1.00 0.00 C ATOM 1330 C ASP A 94 -13.554 -0.419 -3.349 1.00 0.00 C ATOM 1331 O ASP A 94 -12.380 -0.045 -3.343 1.00 0.00 O ATOM 1332 CB ASP A 94 -14.149 1.459 -4.892 1.00 0.00 C ATOM 1333 CG ASP A 94 -15.159 2.530 -5.252 1.00 0.00 C ATOM 1334 OD1 ASP A 94 -15.973 2.293 -6.169 1.00 0.00 O ATOM 1335 OD2 ASP A 94 -15.136 3.606 -4.618 1.00 0.00 O ATOM 0 H ASP A 94 -14.672 1.950 -2.332 1.00 0.00 H new ATOM 0 HA ASP A 94 -15.457 -0.133 -4.281 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -13.239 1.931 -4.523 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -13.878 0.903 -5.789 1.00 0.00 H new ATOM 1340 N PRO A 95 -13.916 -1.641 -2.932 1.00 0.00 N ATOM 1341 CA PRO A 95 -12.952 -2.628 -2.436 1.00 0.00 C ATOM 1342 C PRO A 95 -12.052 -3.165 -3.544 1.00 0.00 C ATOM 1343 O PRO A 95 -10.859 -3.387 -3.335 1.00 0.00 O ATOM 1344 CB PRO A 95 -13.839 -3.743 -1.879 1.00 0.00 C ATOM 1345 CG PRO A 95 -15.118 -3.621 -2.631 1.00 0.00 C ATOM 1346 CD PRO A 95 -15.296 -2.155 -2.912 1.00 0.00 C ATOM 0 HA PRO A 95 -12.272 -2.200 -1.700 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -13.384 -4.722 -2.028 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -13.997 -3.625 -0.807 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -15.082 -4.194 -3.557 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -15.952 -4.010 -2.047 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -15.801 -1.987 -3.863 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -15.895 -1.668 -2.142 1.00 0.00 H new ATOM 1354 N LEU A 96 -12.631 -3.374 -4.721 1.00 0.00 N ATOM 1355 CA LEU A 96 -11.881 -3.886 -5.863 1.00 0.00 C ATOM 1356 C LEU A 96 -10.773 -2.917 -6.265 1.00 0.00 C ATOM 1357 O LEU A 96 -9.619 -3.311 -6.429 1.00 0.00 O ATOM 1358 CB LEU A 96 -12.818 -4.127 -7.047 1.00 0.00 C ATOM 1359 CG LEU A 96 -13.703 -5.371 -6.960 1.00 0.00 C ATOM 1360 CD1 LEU A 96 -14.939 -5.090 -6.120 1.00 0.00 C ATOM 1361 CD2 LEU A 96 -14.097 -5.844 -8.351 1.00 0.00 C ATOM 0 H LEU A 96 -13.618 -3.197 -4.910 1.00 0.00 H new ATOM 0 HA LEU A 96 -11.424 -4.832 -5.572 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -13.462 -3.255 -7.158 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -12.216 -4.197 -7.953 1.00 0.00 H new ATOM 0 HG LEU A 96 -13.134 -6.165 -6.476 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -15.556 -5.987 -6.070 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -14.637 -4.801 -5.114 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -15.511 -4.281 -6.574 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -14.727 -6.730 -8.269 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -14.647 -5.054 -8.862 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -13.200 -6.088 -8.920 1.00 0.00 H new ATOM 1373 N GLY A 97 -11.134 -1.647 -6.422 1.00 0.00 N ATOM 1374 CA GLY A 97 -10.158 -0.641 -6.803 1.00 0.00 C ATOM 1375 C GLY A 97 -8.870 -0.755 -6.013 1.00 0.00 C ATOM 1376 O GLY A 97 -7.782 -0.803 -6.588 1.00 0.00 O ATOM 0 H GLY A 97 -12.083 -1.297 -6.293 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -9.938 -0.737 -7.866 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -10.586 0.351 -6.654 1.00 0.00 H new ATOM 1380 N LEU A 98 -8.991 -0.796 -4.690 1.00 0.00 N ATOM 1381 CA LEU A 98 -7.826 -0.903 -3.818 1.00 0.00 C ATOM 1382 C LEU A 98 -6.969 -2.106 -4.199 1.00 0.00 C ATOM 1383 O LEU A 98 -5.766 -1.976 -4.429 1.00 0.00 O ATOM 1384 CB LEU A 98 -8.266 -1.018 -2.358 1.00 0.00 C ATOM 1385 CG LEU A 98 -7.149 -1.225 -1.334 1.00 0.00 C ATOM 1386 CD1 LEU A 98 -6.190 -0.045 -1.344 1.00 0.00 C ATOM 1387 CD2 LEU A 98 -7.731 -1.429 0.056 1.00 0.00 C ATOM 0 H LEU A 98 -9.884 -0.757 -4.198 1.00 0.00 H new ATOM 0 HA LEU A 98 -7.227 -0.000 -3.941 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -8.812 -0.113 -2.092 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -8.966 -1.849 -2.275 1.00 0.00 H new ATOM 0 HG LEU A 98 -6.593 -2.121 -1.608 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -5.402 -0.210 -0.609 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -5.747 0.055 -2.335 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -6.733 0.867 -1.095 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -6.922 -1.575 0.772 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -8.312 -0.552 0.339 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -8.377 -2.307 0.055 1.00 0.00 H new ATOM 1399 N ILE A 99 -7.597 -3.276 -4.266 1.00 0.00 N ATOM 1400 CA ILE A 99 -6.892 -4.500 -4.624 1.00 0.00 C ATOM 1401 C ILE A 99 -6.083 -4.317 -5.903 1.00 0.00 C ATOM 1402 O ILE A 99 -4.922 -4.718 -5.978 1.00 0.00 O ATOM 1403 CB ILE A 99 -7.869 -5.677 -4.811 1.00 0.00 C ATOM 1404 CG1 ILE A 99 -8.661 -5.921 -3.524 1.00 0.00 C ATOM 1405 CG2 ILE A 99 -7.113 -6.932 -5.220 1.00 0.00 C ATOM 1406 CD1 ILE A 99 -9.902 -6.760 -3.730 1.00 0.00 C ATOM 0 H ILE A 99 -8.592 -3.401 -4.077 1.00 0.00 H new ATOM 0 HA ILE A 99 -6.215 -4.726 -3.800 1.00 0.00 H new ATOM 0 HB ILE A 99 -8.572 -5.424 -5.605 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -8.015 -6.414 -2.797 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -8.948 -4.961 -3.096 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -7.816 -7.755 -5.348 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -6.590 -6.752 -6.159 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -6.390 -7.190 -4.446 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -10.414 -6.893 -2.777 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -10.568 -6.259 -4.433 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -9.620 -7.734 -4.129 1.00 0.00 H new ATOM 1418 N ALA A 100 -6.704 -3.707 -6.906 1.00 0.00 N ATOM 1419 CA ALA A 100 -6.040 -3.466 -8.181 1.00 0.00 C ATOM 1420 C ALA A 100 -4.970 -2.386 -8.048 1.00 0.00 C ATOM 1421 O ALA A 100 -4.004 -2.359 -8.812 1.00 0.00 O ATOM 1422 CB ALA A 100 -7.059 -3.073 -9.241 1.00 0.00 C ATOM 0 H ALA A 100 -7.666 -3.371 -6.861 1.00 0.00 H new ATOM 0 HA ALA A 100 -5.550 -4.390 -8.487 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -6.549 -2.896 -10.188 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -7.784 -3.877 -9.364 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -7.574 -2.164 -8.931 1.00 0.00 H new ATOM 1428 N TYR A 101 -5.149 -1.500 -7.076 1.00 0.00 N ATOM 1429 CA TYR A 101 -4.200 -0.418 -6.845 1.00 0.00 C ATOM 1430 C TYR A 101 -2.881 -0.956 -6.299 1.00 0.00 C ATOM 1431 O TYR A 101 -1.803 -0.530 -6.715 1.00 0.00 O ATOM 1432 CB TYR A 101 -4.788 0.605 -5.872 1.00 0.00 C ATOM 1433 CG TYR A 101 -3.854 1.753 -5.562 1.00 0.00 C ATOM 1434 CD1 TYR A 101 -3.214 2.449 -6.581 1.00 0.00 C ATOM 1435 CD2 TYR A 101 -3.610 2.142 -4.251 1.00 0.00 C ATOM 1436 CE1 TYR A 101 -2.359 3.498 -6.304 1.00 0.00 C ATOM 1437 CE2 TYR A 101 -2.758 3.191 -3.963 1.00 0.00 C ATOM 1438 CZ TYR A 101 -2.135 3.865 -4.992 1.00 0.00 C ATOM 1439 OH TYR A 101 -1.284 4.909 -4.711 1.00 0.00 O ATOM 0 H TYR A 101 -5.942 -1.509 -6.435 1.00 0.00 H new ATOM 0 HA TYR A 101 -4.005 0.069 -7.800 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -5.712 1.003 -6.291 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -5.051 0.100 -4.942 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -3.388 2.164 -7.608 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -4.095 1.615 -3.442 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -1.869 4.027 -7.108 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -2.581 3.481 -2.938 1.00 0.00 H new ATOM 0 HH TYR A 101 -1.116 5.423 -5.528 1.00 0.00 H new ATOM 1449 N LEU A 102 -2.975 -1.896 -5.365 1.00 0.00 N ATOM 1450 CA LEU A 102 -1.790 -2.495 -4.760 1.00 0.00 C ATOM 1451 C LEU A 102 -1.005 -3.304 -5.788 1.00 0.00 C ATOM 1452 O LEU A 102 0.225 -3.259 -5.820 1.00 0.00 O ATOM 1453 CB LEU A 102 -2.190 -3.391 -3.587 1.00 0.00 C ATOM 1454 CG LEU A 102 -2.842 -2.686 -2.397 1.00 0.00 C ATOM 1455 CD1 LEU A 102 -3.415 -3.704 -1.422 1.00 0.00 C ATOM 1456 CD2 LEU A 102 -1.839 -1.780 -1.697 1.00 0.00 C ATOM 0 H LEU A 102 -3.859 -2.260 -5.010 1.00 0.00 H new ATOM 0 HA LEU A 102 -1.152 -1.690 -4.393 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -2.878 -4.152 -3.955 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -1.300 -3.911 -3.233 1.00 0.00 H new ATOM 0 HG LEU A 102 -3.660 -2.069 -2.769 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -3.875 -3.184 -0.582 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -4.166 -4.310 -1.929 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -2.615 -4.348 -1.056 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -2.321 -1.287 -0.853 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -0.999 -2.375 -1.338 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -1.477 -1.028 -2.398 1.00 0.00 H new ATOM 1468 N SER A 103 -1.724 -4.042 -6.628 1.00 0.00 N ATOM 1469 CA SER A 103 -1.095 -4.862 -7.656 1.00 0.00 C ATOM 1470 C SER A 103 0.003 -4.084 -8.376 1.00 0.00 C ATOM 1471 O SER A 103 1.036 -4.643 -8.746 1.00 0.00 O ATOM 1472 CB SER A 103 -2.139 -5.344 -8.665 1.00 0.00 C ATOM 1473 OG SER A 103 -3.020 -6.285 -8.075 1.00 0.00 O ATOM 0 H SER A 103 -2.743 -4.089 -6.616 1.00 0.00 H new ATOM 0 HA SER A 103 -0.644 -5.727 -7.169 1.00 0.00 H new ATOM 0 HB2 SER A 103 -2.708 -4.493 -9.039 1.00 0.00 H new ATOM 0 HB3 SER A 103 -1.640 -5.796 -9.522 1.00 0.00 H new ATOM 0 HG SER A 103 -3.626 -5.824 -7.458 1.00 0.00 H new ATOM 1479 N HIS A 104 -0.228 -2.789 -8.570 1.00 0.00 N ATOM 1480 CA HIS A 104 0.740 -1.933 -9.246 1.00 0.00 C ATOM 1481 C HIS A 104 2.039 -1.848 -8.450 1.00 0.00 C ATOM 1482 O HIS A 104 3.129 -1.833 -9.022 1.00 0.00 O ATOM 1483 CB HIS A 104 0.160 -0.532 -9.447 1.00 0.00 C ATOM 1484 CG HIS A 104 -1.143 -0.524 -10.185 1.00 0.00 C ATOM 1485 ND1 HIS A 104 -1.640 0.594 -10.822 1.00 0.00 N ATOM 1486 CD2 HIS A 104 -2.053 -1.506 -10.388 1.00 0.00 C ATOM 1487 CE1 HIS A 104 -2.800 0.300 -11.382 1.00 0.00 C ATOM 1488 NE2 HIS A 104 -3.072 -0.969 -11.134 1.00 0.00 N ATOM 0 H HIS A 104 -1.077 -2.310 -8.269 1.00 0.00 H new ATOM 0 HA HIS A 104 0.959 -2.372 -10.220 1.00 0.00 H new ATOM 0 HB2 HIS A 104 0.020 -0.063 -8.473 1.00 0.00 H new ATOM 0 HB3 HIS A 104 0.881 0.076 -9.993 1.00 0.00 H new ATOM 0 HD2 HIS A 104 -1.989 -2.523 -10.029 1.00 0.00 H new ATOM 0 HE1 HIS A 104 -3.420 0.981 -11.946 1.00 0.00 H new ATOM 0 HE2 HIS A 104 -3.905 -1.469 -11.446 1.00 0.00 H new ATOM 1497 N PHE A 105 1.915 -1.794 -7.128 1.00 0.00 N ATOM 1498 CA PHE A 105 3.078 -1.710 -6.253 1.00 0.00 C ATOM 1499 C PHE A 105 3.906 -2.990 -6.325 1.00 0.00 C ATOM 1500 O PHE A 105 5.126 -2.945 -6.482 1.00 0.00 O ATOM 1501 CB PHE A 105 2.641 -1.453 -4.810 1.00 0.00 C ATOM 1502 CG PHE A 105 2.237 -0.029 -4.550 1.00 0.00 C ATOM 1503 CD1 PHE A 105 1.001 0.441 -4.965 1.00 0.00 C ATOM 1504 CD2 PHE A 105 3.094 0.839 -3.892 1.00 0.00 C ATOM 1505 CE1 PHE A 105 0.627 1.750 -4.728 1.00 0.00 C ATOM 1506 CE2 PHE A 105 2.724 2.149 -3.652 1.00 0.00 C ATOM 1507 CZ PHE A 105 1.489 2.606 -4.071 1.00 0.00 C ATOM 0 H PHE A 105 1.020 -1.807 -6.639 1.00 0.00 H new ATOM 0 HA PHE A 105 3.696 -0.878 -6.591 1.00 0.00 H new ATOM 0 HB2 PHE A 105 1.804 -2.109 -4.570 1.00 0.00 H new ATOM 0 HB3 PHE A 105 3.458 -1.719 -4.139 1.00 0.00 H new ATOM 0 HD1 PHE A 105 0.322 -0.223 -5.479 1.00 0.00 H new ATOM 0 HD2 PHE A 105 4.061 0.488 -3.563 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -0.339 2.104 -5.056 1.00 0.00 H new ATOM 0 HE2 PHE A 105 3.400 2.815 -3.137 1.00 0.00 H new ATOM 0 HZ PHE A 105 1.199 3.630 -3.885 1.00 0.00 H new ATOM 1517 N HIS A 106 3.233 -4.129 -6.208 1.00 0.00 N ATOM 1518 CA HIS A 106 3.905 -5.423 -6.260 1.00 0.00 C ATOM 1519 C HIS A 106 4.421 -5.712 -7.666 1.00 0.00 C ATOM 1520 O HIS A 106 5.628 -5.818 -7.886 1.00 0.00 O ATOM 1521 CB HIS A 106 2.954 -6.534 -5.815 1.00 0.00 C ATOM 1522 CG HIS A 106 3.630 -7.856 -5.614 1.00 0.00 C ATOM 1523 ND1 HIS A 106 3.074 -9.054 -6.012 1.00 0.00 N ATOM 1524 CD2 HIS A 106 4.823 -8.165 -5.055 1.00 0.00 C ATOM 1525 CE1 HIS A 106 3.895 -10.042 -5.705 1.00 0.00 C ATOM 1526 NE2 HIS A 106 4.964 -9.529 -5.122 1.00 0.00 N ATOM 0 H HIS A 106 2.223 -4.183 -6.077 1.00 0.00 H new ATOM 0 HA HIS A 106 4.756 -5.389 -5.580 1.00 0.00 H new ATOM 0 HB2 HIS A 106 2.471 -6.237 -4.884 1.00 0.00 H new ATOM 0 HB3 HIS A 106 2.167 -6.647 -6.560 1.00 0.00 H new ATOM 0 HD2 HIS A 106 5.533 -7.468 -4.634 1.00 0.00 H new ATOM 0 HE1 HIS A 106 3.722 -11.091 -5.898 1.00 0.00 H new ATOM 0 HE2 HIS A 106 5.764 -10.060 -4.778 1.00 0.00 H new ATOM 1535 N SER A 107 3.500 -5.838 -8.615 1.00 0.00 N ATOM 1536 CA SER A 107 3.860 -6.119 -10.000 1.00 0.00 C ATOM 1537 C SER A 107 5.072 -5.292 -10.424 1.00 0.00 C ATOM 1538 O SER A 107 5.821 -5.683 -11.317 1.00 0.00 O ATOM 1539 CB SER A 107 2.679 -5.826 -10.927 1.00 0.00 C ATOM 1540 OG SER A 107 1.609 -6.724 -10.690 1.00 0.00 O ATOM 0 H SER A 107 2.497 -5.750 -8.450 1.00 0.00 H new ATOM 0 HA SER A 107 4.117 -7.176 -10.075 1.00 0.00 H new ATOM 0 HB2 SER A 107 2.339 -4.802 -10.775 1.00 0.00 H new ATOM 0 HB3 SER A 107 3.000 -5.904 -11.966 1.00 0.00 H new ATOM 0 HG SER A 107 1.040 -6.373 -9.974 1.00 0.00 H new ATOM 1546 N ALA A 108 5.255 -4.148 -9.774 1.00 0.00 N ATOM 1547 CA ALA A 108 6.375 -3.267 -10.081 1.00 0.00 C ATOM 1548 C ALA A 108 7.538 -3.502 -9.123 1.00 0.00 C ATOM 1549 O ALA A 108 8.699 -3.303 -9.479 1.00 0.00 O ATOM 1550 CB ALA A 108 5.932 -1.812 -10.030 1.00 0.00 C ATOM 0 H ALA A 108 4.643 -3.809 -9.032 1.00 0.00 H new ATOM 0 HA ALA A 108 6.718 -3.496 -11.090 1.00 0.00 H new ATOM 0 HB1 ALA A 108 6.779 -1.166 -10.261 1.00 0.00 H new ATOM 0 HB2 ALA A 108 5.140 -1.647 -10.760 1.00 0.00 H new ATOM 0 HB3 ALA A 108 5.560 -1.580 -9.032 1.00 0.00 H new ATOM 1556 N PHE A 109 7.217 -3.925 -7.904 1.00 0.00 N ATOM 1557 CA PHE A 109 8.236 -4.186 -6.894 1.00 0.00 C ATOM 1558 C PHE A 109 8.161 -5.630 -6.407 1.00 0.00 C ATOM 1559 O PHE A 109 8.262 -5.900 -5.210 1.00 0.00 O ATOM 1560 CB PHE A 109 8.067 -3.229 -5.711 1.00 0.00 C ATOM 1561 CG PHE A 109 8.439 -1.809 -6.034 1.00 0.00 C ATOM 1562 CD1 PHE A 109 7.590 -1.010 -6.783 1.00 0.00 C ATOM 1563 CD2 PHE A 109 9.635 -1.273 -5.585 1.00 0.00 C ATOM 1564 CE1 PHE A 109 7.928 0.297 -7.080 1.00 0.00 C ATOM 1565 CE2 PHE A 109 9.978 0.033 -5.879 1.00 0.00 C ATOM 1566 CZ PHE A 109 9.125 0.819 -6.628 1.00 0.00 C ATOM 0 H PHE A 109 6.261 -4.094 -7.592 1.00 0.00 H new ATOM 0 HA PHE A 109 9.213 -4.024 -7.349 1.00 0.00 H new ATOM 0 HB2 PHE A 109 7.030 -3.258 -5.375 1.00 0.00 H new ATOM 0 HB3 PHE A 109 8.681 -3.578 -4.881 1.00 0.00 H new ATOM 0 HD1 PHE A 109 6.653 -1.413 -7.139 1.00 0.00 H new ATOM 0 HD2 PHE A 109 10.307 -1.883 -4.999 1.00 0.00 H new ATOM 0 HE1 PHE A 109 7.257 0.909 -7.665 1.00 0.00 H new ATOM 0 HE2 PHE A 109 10.913 0.439 -5.523 1.00 0.00 H new ATOM 0 HZ PHE A 109 9.393 1.839 -6.860 1.00 0.00 H new ATOM 1576 N LYS A 110 7.985 -6.555 -7.345 1.00 0.00 N ATOM 1577 CA LYS A 110 7.899 -7.973 -7.014 1.00 0.00 C ATOM 1578 C LYS A 110 9.104 -8.733 -7.557 1.00 0.00 C ATOM 1579 O LYS A 110 9.051 -9.949 -7.741 1.00 0.00 O ATOM 1580 CB LYS A 110 6.608 -8.571 -7.579 1.00 0.00 C ATOM 1581 CG LYS A 110 6.615 -8.714 -9.091 1.00 0.00 C ATOM 1582 CD LYS A 110 5.740 -9.869 -9.547 1.00 0.00 C ATOM 1583 CE LYS A 110 5.983 -10.210 -11.009 1.00 0.00 C ATOM 1584 NZ LYS A 110 7.243 -10.981 -11.195 1.00 0.00 N ATOM 0 H LYS A 110 7.899 -6.348 -8.340 1.00 0.00 H new ATOM 0 HA LYS A 110 7.892 -8.068 -5.928 1.00 0.00 H new ATOM 0 HB2 LYS A 110 6.445 -9.551 -7.130 1.00 0.00 H new ATOM 0 HB3 LYS A 110 5.767 -7.942 -7.286 1.00 0.00 H new ATOM 0 HG2 LYS A 110 6.263 -7.788 -9.546 1.00 0.00 H new ATOM 0 HG3 LYS A 110 7.636 -8.872 -9.438 1.00 0.00 H new ATOM 0 HD2 LYS A 110 5.941 -10.745 -8.930 1.00 0.00 H new ATOM 0 HD3 LYS A 110 4.691 -9.611 -9.402 1.00 0.00 H new ATOM 0 HE2 LYS A 110 5.143 -10.789 -11.392 1.00 0.00 H new ATOM 0 HE3 LYS A 110 6.029 -9.291 -11.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 7.331 -11.267 -12.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 8.055 -10.387 -10.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 7.224 -11.828 -10.592 1.00 0.00 H new