USER MOD reduce.3.24.130724 H: found=0, std=0, add=706, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 707 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 75 THR OG1 : rot 124:sc= 1.12 USER MOD Set 1.2: A 88 GLN : amide:sc= 0.981 K(o=2.1,f=-4!) USER MOD Set 2.1: A 73 ASN : amide:sc= 1.22 K(o=1.3,f=-7.1!) USER MOD Set 2.2: A 92 SER OG : rot -84:sc= 0.078 USER MOD Single : A 15 GLN :FLIP amide:sc=-0.00145 F(o=-0.53,f=-0.0015) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0.00414 USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=0.003) USER MOD Single : A 40 HIS : no HE2:sc= -1.65! C(o=-1.6!,f=-4.6!) USER MOD Single : A 43 ASN : amide:sc= -0.119 K(o=-0.12,f=-2.1!) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 116:sc= 0.31 USER MOD Single : A 51 SER OG : rot -48:sc= 0.0754 USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 ASN :FLIP amide:sc= -2.45! C(o=-3.2!,f=-2.5!) USER MOD Single : A 71 MET CE :methyl -119:sc= 0 (180deg=-1.47) USER MOD Single : A 77 MET CE :methyl -170:sc= -2.05 (180deg=-2.81) USER MOD Single : A 82 HIS :FLIP no HD1:sc= -1.18 F(o=-3.8!,f=-1.2) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 87 GLN : amide:sc= -0.118 K(o=-0.12,f=-1.5) USER MOD Single : A 91 LYS NZ :NH3+ -152:sc= 0 (180deg=-0.24) USER MOD Single : A 94 LYS NZ :NH3+ -124:sc= 0.883 (180deg=-0.238) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 129 N ILE A 12 -7.987 -6.197 -8.844 1.00 0.00 N ATOM 130 CA ILE A 12 -7.017 -5.248 -9.377 1.00 0.00 C ATOM 131 C ILE A 12 -6.269 -4.538 -8.254 1.00 0.00 C ATOM 132 O ILE A 12 -6.812 -3.649 -7.597 1.00 0.00 O ATOM 133 CB ILE A 12 -7.695 -4.194 -10.273 1.00 0.00 C ATOM 134 CG1 ILE A 12 -8.653 -4.870 -11.256 1.00 0.00 C ATOM 135 CG2 ILE A 12 -6.648 -3.382 -11.020 1.00 0.00 C ATOM 136 CD1 ILE A 12 -9.277 -3.912 -12.246 1.00 0.00 C ATOM 0 HA ILE A 12 -6.310 -5.822 -9.976 1.00 0.00 H new ATOM 0 HB ILE A 12 -8.270 -3.517 -9.641 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -8.114 -5.644 -11.802 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -9.445 -5.368 -10.696 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -7.142 -2.642 -11.649 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -6.001 -2.876 -10.304 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -6.049 -4.046 -11.644 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -9.944 -4.460 -12.911 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -9.844 -3.152 -11.709 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -8.493 -3.433 -12.832 1.00 0.00 H new ATOM 148 N TRP A 13 -5.020 -4.934 -8.040 1.00 0.00 N ATOM 149 CA TRP A 13 -4.195 -4.334 -6.997 1.00 0.00 C ATOM 150 C TRP A 13 -3.578 -3.025 -7.477 1.00 0.00 C ATOM 151 O TRP A 13 -2.685 -3.024 -8.322 1.00 0.00 O ATOM 152 CB TRP A 13 -3.094 -5.305 -6.567 1.00 0.00 C ATOM 153 CG TRP A 13 -3.598 -6.444 -5.735 1.00 0.00 C ATOM 154 CD1 TRP A 13 -4.144 -7.611 -6.187 1.00 0.00 C ATOM 155 CD2 TRP A 13 -3.603 -6.524 -4.305 1.00 0.00 C ATOM 156 NE1 TRP A 13 -4.488 -8.412 -5.125 1.00 0.00 N ATOM 157 CE2 TRP A 13 -4.166 -7.768 -3.960 1.00 0.00 C ATOM 158 CE3 TRP A 13 -3.186 -5.667 -3.284 1.00 0.00 C ATOM 159 CZ2 TRP A 13 -4.322 -8.173 -2.637 1.00 0.00 C ATOM 160 CZ3 TRP A 13 -3.341 -6.070 -1.971 1.00 0.00 C ATOM 161 CH2 TRP A 13 -3.905 -7.314 -1.657 1.00 0.00 C ATOM 0 H TRP A 13 -4.556 -5.668 -8.575 1.00 0.00 H new ATOM 0 HA TRP A 13 -4.834 -4.120 -6.141 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -2.603 -5.703 -7.455 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -2.338 -4.759 -6.003 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -4.285 -7.867 -7.227 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -4.914 -9.336 -5.193 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -2.750 -4.707 -3.516 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -4.757 -9.131 -2.393 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -3.022 -5.415 -1.174 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -4.013 -7.600 -0.621 1.00 0.00 H new ATOM 172 N GLU A 14 -4.061 -1.913 -6.931 1.00 0.00 N ATOM 173 CA GLU A 14 -3.556 -0.598 -7.305 1.00 0.00 C ATOM 174 C GLU A 14 -2.549 -0.089 -6.277 1.00 0.00 C ATOM 175 O GLU A 14 -2.735 -0.262 -5.073 1.00 0.00 O ATOM 176 CB GLU A 14 -4.710 0.397 -7.440 1.00 0.00 C ATOM 177 CG GLU A 14 -5.846 -0.103 -8.316 1.00 0.00 C ATOM 178 CD GLU A 14 -6.661 1.026 -8.916 1.00 0.00 C ATOM 179 OE1 GLU A 14 -6.230 1.585 -9.947 1.00 0.00 O ATOM 180 OE2 GLU A 14 -7.728 1.351 -8.356 1.00 0.00 O ATOM 0 H GLU A 14 -4.801 -1.897 -6.229 1.00 0.00 H new ATOM 0 HA GLU A 14 -3.052 -0.691 -8.267 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -5.100 0.624 -6.448 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -4.327 1.330 -7.853 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -5.438 -0.717 -9.118 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -6.500 -0.744 -7.725 1.00 0.00 H new ATOM 187 N GLN A 15 -1.482 0.538 -6.763 1.00 0.00 N ATOM 188 CA GLN A 15 -0.445 1.070 -5.887 1.00 0.00 C ATOM 189 C GLN A 15 -0.701 2.540 -5.570 1.00 0.00 C ATOM 190 O GLN A 15 -1.329 3.253 -6.353 1.00 0.00 O ATOM 191 CB GLN A 15 0.932 0.908 -6.534 1.00 0.00 C ATOM 192 CG GLN A 15 1.619 -0.401 -6.184 1.00 0.00 C ATOM 193 CD GLN A 15 2.934 -0.585 -6.916 1.00 0.00 C ATOM 194 OE1 GLN A 15 2.929 -0.320 -8.217 1.00 0.00 O flip ATOM 195 NE2 GLN A 15 3.943 -0.960 -6.319 1.00 0.00 N flip ATOM 0 H GLN A 15 -1.313 0.690 -7.757 1.00 0.00 H new ATOM 0 HA GLN A 15 -0.469 0.507 -4.954 1.00 0.00 H new ATOM 0 HB2 GLN A 15 0.825 0.974 -7.617 1.00 0.00 H new ATOM 0 HB3 GLN A 15 1.569 1.737 -6.225 1.00 0.00 H new ATOM 0 HG2 GLN A 15 1.798 -0.437 -5.109 1.00 0.00 H new ATOM 0 HG3 GLN A 15 0.955 -1.231 -6.424 1.00 0.00 H new ATOM 0 HE21 GLN A 15 3.901 -1.152 -5.318 1.00 0.00 H new ATOM 0 HE22 GLN A 15 4.821 -1.078 -6.825 1.00 0.00 H new ATOM 204 N TYR A 16 -0.212 2.985 -4.418 1.00 0.00 N ATOM 205 CA TYR A 16 -0.391 4.370 -3.997 1.00 0.00 C ATOM 206 C TYR A 16 0.890 4.921 -3.378 1.00 0.00 C ATOM 207 O TYR A 16 1.297 4.508 -2.292 1.00 0.00 O ATOM 208 CB TYR A 16 -1.541 4.475 -2.994 1.00 0.00 C ATOM 209 CG TYR A 16 -2.885 4.090 -3.570 1.00 0.00 C ATOM 210 CD1 TYR A 16 -3.195 2.761 -3.834 1.00 0.00 C ATOM 211 CD2 TYR A 16 -3.844 5.055 -3.852 1.00 0.00 C ATOM 212 CE1 TYR A 16 -4.421 2.405 -4.362 1.00 0.00 C ATOM 213 CE2 TYR A 16 -5.073 4.707 -4.378 1.00 0.00 C ATOM 214 CZ TYR A 16 -5.357 3.381 -4.632 1.00 0.00 C ATOM 215 OH TYR A 16 -6.580 3.032 -5.157 1.00 0.00 O ATOM 0 H TYR A 16 0.311 2.408 -3.759 1.00 0.00 H new ATOM 0 HA TYR A 16 -0.631 4.963 -4.879 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -1.325 3.835 -2.138 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -1.595 5.498 -2.621 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -2.465 1.994 -3.623 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -3.625 6.094 -3.657 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -4.645 1.368 -4.562 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -5.808 5.469 -4.589 1.00 0.00 H new ATOM 0 HH TYR A 16 -7.122 3.838 -5.287 1.00 0.00 H new ATOM 225 N THR A 17 1.522 5.857 -4.079 1.00 0.00 N ATOM 226 CA THR A 17 2.757 6.466 -3.601 1.00 0.00 C ATOM 227 C THR A 17 2.486 7.809 -2.933 1.00 0.00 C ATOM 228 O THR A 17 2.313 8.825 -3.606 1.00 0.00 O ATOM 229 CB THR A 17 3.764 6.670 -4.749 1.00 0.00 C ATOM 230 OG1 THR A 17 3.925 5.450 -5.481 1.00 0.00 O ATOM 231 CG2 THR A 17 5.111 7.127 -4.211 1.00 0.00 C ATOM 0 H THR A 17 1.199 6.210 -4.980 1.00 0.00 H new ATOM 0 HA THR A 17 3.185 5.780 -2.870 1.00 0.00 H new ATOM 0 HB THR A 17 3.375 7.442 -5.413 1.00 0.00 H new ATOM 0 HG1 THR A 17 4.565 5.588 -6.210 1.00 0.00 H new ATOM 0 HG21 THR A 17 5.806 7.265 -5.039 1.00 0.00 H new ATOM 0 HG22 THR A 17 4.989 8.071 -3.679 1.00 0.00 H new ATOM 0 HG23 THR A 17 5.505 6.374 -3.528 1.00 0.00 H new ATOM 239 N VAL A 18 2.449 7.808 -1.604 1.00 0.00 N ATOM 240 CA VAL A 18 2.201 9.027 -0.845 1.00 0.00 C ATOM 241 C VAL A 18 3.396 9.381 0.033 1.00 0.00 C ATOM 242 O VAL A 18 4.129 8.503 0.487 1.00 0.00 O ATOM 243 CB VAL A 18 0.949 8.891 0.042 1.00 0.00 C ATOM 244 CG1 VAL A 18 -0.309 9.185 -0.761 1.00 0.00 C ATOM 245 CG2 VAL A 18 0.883 7.503 0.661 1.00 0.00 C ATOM 0 H VAL A 18 2.588 6.976 -1.031 1.00 0.00 H new ATOM 0 HA VAL A 18 2.039 9.824 -1.571 1.00 0.00 H new ATOM 0 HB VAL A 18 1.016 9.621 0.849 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -1.183 9.084 -0.118 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -0.262 10.201 -1.152 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -0.385 8.481 -1.589 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -0.008 7.425 1.284 1.00 0.00 H new ATOM 0 HG22 VAL A 18 0.840 6.754 -0.129 1.00 0.00 H new ATOM 0 HG23 VAL A 18 1.770 7.335 1.272 1.00 0.00 H new ATOM 255 N THR A 19 3.586 10.676 0.269 1.00 0.00 N ATOM 256 CA THR A 19 4.693 11.147 1.092 1.00 0.00 C ATOM 257 C THR A 19 4.201 11.622 2.455 1.00 0.00 C ATOM 258 O THR A 19 3.263 12.415 2.546 1.00 0.00 O ATOM 259 CB THR A 19 5.454 12.296 0.405 1.00 0.00 C ATOM 260 OG1 THR A 19 4.598 12.961 -0.530 1.00 0.00 O ATOM 261 CG2 THR A 19 6.689 11.774 -0.313 1.00 0.00 C ATOM 0 H THR A 19 2.988 11.416 -0.098 1.00 0.00 H new ATOM 0 HA THR A 19 5.369 10.303 1.226 1.00 0.00 H new ATOM 0 HB THR A 19 5.771 13.002 1.173 1.00 0.00 H new ATOM 0 HG1 THR A 19 5.089 13.691 -0.961 1.00 0.00 H new ATOM 0 HG21 THR A 19 7.210 12.604 -0.791 1.00 0.00 H new ATOM 0 HG22 THR A 19 7.353 11.295 0.407 1.00 0.00 H new ATOM 0 HG23 THR A 19 6.390 11.049 -1.070 1.00 0.00 H new ATOM 269 N LEU A 20 4.840 11.134 3.512 1.00 0.00 N ATOM 270 CA LEU A 20 4.468 11.510 4.872 1.00 0.00 C ATOM 271 C LEU A 20 5.522 12.421 5.493 1.00 0.00 C ATOM 272 O LEU A 20 6.705 12.329 5.166 1.00 0.00 O ATOM 273 CB LEU A 20 4.285 10.260 5.735 1.00 0.00 C ATOM 274 CG LEU A 20 3.464 9.130 5.114 1.00 0.00 C ATOM 275 CD1 LEU A 20 3.923 7.782 5.648 1.00 0.00 C ATOM 276 CD2 LEU A 20 1.981 9.336 5.385 1.00 0.00 C ATOM 0 H LEU A 20 5.618 10.477 3.454 1.00 0.00 H new ATOM 0 HA LEU A 20 3.525 12.055 4.827 1.00 0.00 H new ATOM 0 HB2 LEU A 20 5.271 9.870 5.987 1.00 0.00 H new ATOM 0 HB3 LEU A 20 3.810 10.555 6.671 1.00 0.00 H new ATOM 0 HG LEU A 20 3.621 9.144 4.035 1.00 0.00 H new ATOM 0 HD11 LEU A 20 3.328 6.989 5.195 1.00 0.00 H new ATOM 0 HD12 LEU A 20 4.974 7.632 5.402 1.00 0.00 H new ATOM 0 HD13 LEU A 20 3.797 7.757 6.730 1.00 0.00 H new ATOM 0 HD21 LEU A 20 1.412 8.522 4.935 1.00 0.00 H new ATOM 0 HD22 LEU A 20 1.806 9.350 6.461 1.00 0.00 H new ATOM 0 HD23 LEU A 20 1.660 10.284 4.953 1.00 0.00 H new ATOM 288 N GLN A 21 5.084 13.297 6.391 1.00 0.00 N ATOM 289 CA GLN A 21 5.990 14.224 7.059 1.00 0.00 C ATOM 290 C GLN A 21 6.203 13.823 8.515 1.00 0.00 C ATOM 291 O GLN A 21 5.245 13.610 9.258 1.00 0.00 O ATOM 292 CB GLN A 21 5.441 15.650 6.986 1.00 0.00 C ATOM 293 CG GLN A 21 5.183 16.130 5.567 1.00 0.00 C ATOM 294 CD GLN A 21 4.602 17.530 5.521 1.00 0.00 C ATOM 295 OE1 GLN A 21 3.385 17.710 5.548 1.00 0.00 O ATOM 296 NE2 GLN A 21 5.473 18.530 5.452 1.00 0.00 N ATOM 0 H GLN A 21 4.108 13.384 6.673 1.00 0.00 H new ATOM 0 HA GLN A 21 6.951 14.186 6.546 1.00 0.00 H new ATOM 0 HB2 GLN A 21 4.512 15.702 7.553 1.00 0.00 H new ATOM 0 HB3 GLN A 21 6.147 16.327 7.467 1.00 0.00 H new ATOM 0 HG2 GLN A 21 6.117 16.110 5.005 1.00 0.00 H new ATOM 0 HG3 GLN A 21 4.499 15.440 5.073 1.00 0.00 H new ATOM 0 HE21 GLN A 21 6.474 18.334 5.432 1.00 0.00 H new ATOM 0 HE22 GLN A 21 5.141 19.494 5.419 1.00 0.00 H new ATOM 305 N LYS A 22 7.466 13.720 8.917 1.00 0.00 N ATOM 306 CA LYS A 22 7.806 13.346 10.284 1.00 0.00 C ATOM 307 C LYS A 22 7.284 14.378 11.277 1.00 0.00 C ATOM 308 O LYS A 22 7.921 15.404 11.514 1.00 0.00 O ATOM 309 CB LYS A 22 9.323 13.201 10.432 1.00 0.00 C ATOM 310 CG LYS A 22 9.737 12.165 11.463 1.00 0.00 C ATOM 311 CD LYS A 22 11.048 11.497 11.085 1.00 0.00 C ATOM 312 CE LYS A 22 11.282 10.230 11.895 1.00 0.00 C ATOM 313 NZ LYS A 22 12.026 10.506 13.155 1.00 0.00 N ATOM 0 H LYS A 22 8.271 13.891 8.314 1.00 0.00 H new ATOM 0 HA LYS A 22 7.332 12.389 10.501 1.00 0.00 H new ATOM 0 HB2 LYS A 22 9.750 12.931 9.466 1.00 0.00 H new ATOM 0 HB3 LYS A 22 9.747 14.166 10.709 1.00 0.00 H new ATOM 0 HG2 LYS A 22 9.838 12.641 12.438 1.00 0.00 H new ATOM 0 HG3 LYS A 22 8.956 11.410 11.556 1.00 0.00 H new ATOM 0 HD2 LYS A 22 11.041 11.255 10.022 1.00 0.00 H new ATOM 0 HD3 LYS A 22 11.872 12.192 11.248 1.00 0.00 H new ATOM 0 HE2 LYS A 22 10.323 9.769 12.133 1.00 0.00 H new ATOM 0 HE3 LYS A 22 11.840 9.512 11.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 12.165 9.618 13.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 12.951 10.922 12.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 11.482 11.171 13.741 1.00 0.00 H new ATOM 327 N ASP A 23 6.121 14.099 11.857 1.00 0.00 N ATOM 328 CA ASP A 23 5.514 15.003 12.827 1.00 0.00 C ATOM 329 C ASP A 23 6.400 15.151 14.060 1.00 0.00 C ATOM 330 O ASP A 23 7.515 14.631 14.102 1.00 0.00 O ATOM 331 CB ASP A 23 4.132 14.493 13.236 1.00 0.00 C ATOM 332 CG ASP A 23 3.210 15.612 13.681 1.00 0.00 C ATOM 333 OD1 ASP A 23 3.099 16.616 12.947 1.00 0.00 O ATOM 334 OD2 ASP A 23 2.601 15.483 14.764 1.00 0.00 O ATOM 0 H ASP A 23 5.580 13.254 11.672 1.00 0.00 H new ATOM 0 HA ASP A 23 5.408 15.981 12.358 1.00 0.00 H new ATOM 0 HB2 ASP A 23 3.679 13.966 12.396 1.00 0.00 H new ATOM 0 HB3 ASP A 23 4.239 13.771 14.045 1.00 0.00 H new ATOM 339 N SER A 24 5.897 15.866 15.062 1.00 0.00 N ATOM 340 CA SER A 24 6.645 16.087 16.294 1.00 0.00 C ATOM 341 C SER A 24 7.346 14.808 16.741 1.00 0.00 C ATOM 342 O SER A 24 8.554 14.653 16.565 1.00 0.00 O ATOM 343 CB SER A 24 5.712 16.584 17.399 1.00 0.00 C ATOM 344 OG SER A 24 5.200 17.870 17.095 1.00 0.00 O ATOM 0 H SER A 24 4.975 16.302 15.044 1.00 0.00 H new ATOM 0 HA SER A 24 7.403 16.846 16.099 1.00 0.00 H new ATOM 0 HB2 SER A 24 4.888 15.882 17.526 1.00 0.00 H new ATOM 0 HB3 SER A 24 6.251 16.618 18.346 1.00 0.00 H new ATOM 0 HG SER A 24 4.605 18.164 17.816 1.00 0.00 H new ATOM 350 N LYS A 25 6.577 13.891 17.321 1.00 0.00 N ATOM 351 CA LYS A 25 7.121 12.624 17.793 1.00 0.00 C ATOM 352 C LYS A 25 6.589 11.460 16.963 1.00 0.00 C ATOM 353 O LYS A 25 7.356 10.624 16.485 1.00 0.00 O ATOM 354 CB LYS A 25 6.772 12.413 19.268 1.00 0.00 C ATOM 355 CG LYS A 25 7.668 13.185 20.221 1.00 0.00 C ATOM 356 CD LYS A 25 8.962 12.437 20.497 1.00 0.00 C ATOM 357 CE LYS A 25 9.537 12.801 21.858 1.00 0.00 C ATOM 358 NZ LYS A 25 8.978 11.947 22.942 1.00 0.00 N ATOM 0 H LYS A 25 5.575 14.003 17.475 1.00 0.00 H new ATOM 0 HA LYS A 25 8.205 12.660 17.684 1.00 0.00 H new ATOM 0 HB2 LYS A 25 5.737 12.711 19.434 1.00 0.00 H new ATOM 0 HB3 LYS A 25 6.839 11.350 19.500 1.00 0.00 H new ATOM 0 HG2 LYS A 25 7.895 14.163 19.797 1.00 0.00 H new ATOM 0 HG3 LYS A 25 7.140 13.359 21.158 1.00 0.00 H new ATOM 0 HD2 LYS A 25 8.779 11.363 20.453 1.00 0.00 H new ATOM 0 HD3 LYS A 25 9.690 12.668 19.720 1.00 0.00 H new ATOM 0 HE2 LYS A 25 10.622 12.694 21.834 1.00 0.00 H new ATOM 0 HE3 LYS A 25 9.324 13.848 22.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 9.394 12.226 23.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 7.946 12.068 22.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 9.203 10.950 22.749 1.00 0.00 H new ATOM 372 N ARG A 26 5.271 11.414 16.794 1.00 0.00 N ATOM 373 CA ARG A 26 4.637 10.353 16.021 1.00 0.00 C ATOM 374 C ARG A 26 5.282 10.224 14.643 1.00 0.00 C ATOM 375 O ARG A 26 5.165 9.191 13.986 1.00 0.00 O ATOM 376 CB ARG A 26 3.140 10.627 15.871 1.00 0.00 C ATOM 377 CG ARG A 26 2.415 10.788 17.197 1.00 0.00 C ATOM 378 CD ARG A 26 2.536 9.537 18.054 1.00 0.00 C ATOM 379 NE ARG A 26 1.728 9.624 19.267 1.00 0.00 N ATOM 380 CZ ARG A 26 1.596 8.628 20.136 1.00 0.00 C ATOM 381 NH1 ARG A 26 2.215 7.474 19.925 1.00 0.00 N ATOM 382 NH2 ARG A 26 0.843 8.784 21.217 1.00 0.00 N ATOM 0 H ARG A 26 4.622 12.099 17.182 1.00 0.00 H new ATOM 0 HA ARG A 26 4.776 9.414 16.558 1.00 0.00 H new ATOM 0 HB2 ARG A 26 3.002 11.532 15.279 1.00 0.00 H new ATOM 0 HB3 ARG A 26 2.683 9.809 15.314 1.00 0.00 H new ATOM 0 HG2 ARG A 26 2.826 11.641 17.737 1.00 0.00 H new ATOM 0 HG3 ARG A 26 1.363 11.004 17.014 1.00 0.00 H new ATOM 0 HD2 ARG A 26 2.225 8.668 17.473 1.00 0.00 H new ATOM 0 HD3 ARG A 26 3.581 9.383 18.325 1.00 0.00 H new ATOM 0 HE ARG A 26 1.238 10.498 19.458 1.00 0.00 H new ATOM 0 HH11 ARG A 26 2.794 7.350 19.094 1.00 0.00 H new ATOM 0 HH12 ARG A 26 2.112 6.711 20.594 1.00 0.00 H new ATOM 0 HH21 ARG A 26 0.364 9.670 21.382 1.00 0.00 H new ATOM 0 HH22 ARG A 26 0.743 8.018 21.883 1.00 0.00 H new ATOM 396 N GLY A 27 5.962 11.282 14.212 1.00 0.00 N ATOM 397 CA GLY A 27 6.614 11.267 12.916 1.00 0.00 C ATOM 398 C GLY A 27 5.657 10.930 11.790 1.00 0.00 C ATOM 399 O GLY A 27 4.778 11.723 11.454 1.00 0.00 O ATOM 0 H GLY A 27 6.073 12.149 14.737 1.00 0.00 H new ATOM 0 HA2 GLY A 27 7.063 12.242 12.727 1.00 0.00 H new ATOM 0 HA3 GLY A 27 7.425 10.539 12.929 1.00 0.00 H new ATOM 403 N PHE A 28 5.829 9.750 11.203 1.00 0.00 N ATOM 404 CA PHE A 28 4.975 9.310 10.106 1.00 0.00 C ATOM 405 C PHE A 28 3.654 8.756 10.633 1.00 0.00 C ATOM 406 O PHE A 28 2.832 8.252 9.870 1.00 0.00 O ATOM 407 CB PHE A 28 5.690 8.246 9.270 1.00 0.00 C ATOM 408 CG PHE A 28 7.015 8.700 8.728 1.00 0.00 C ATOM 409 CD1 PHE A 28 7.129 9.911 8.064 1.00 0.00 C ATOM 410 CD2 PHE A 28 8.147 7.916 8.883 1.00 0.00 C ATOM 411 CE1 PHE A 28 8.347 10.330 7.564 1.00 0.00 C ATOM 412 CE2 PHE A 28 9.368 8.331 8.385 1.00 0.00 C ATOM 413 CZ PHE A 28 9.468 9.540 7.726 1.00 0.00 C ATOM 0 H PHE A 28 6.552 9.081 11.469 1.00 0.00 H new ATOM 0 HA PHE A 28 4.761 10.174 9.476 1.00 0.00 H new ATOM 0 HB2 PHE A 28 5.842 7.357 9.882 1.00 0.00 H new ATOM 0 HB3 PHE A 28 5.047 7.955 8.439 1.00 0.00 H new ATOM 0 HD1 PHE A 28 6.256 10.534 7.936 1.00 0.00 H new ATOM 0 HD2 PHE A 28 8.075 6.970 9.399 1.00 0.00 H new ATOM 0 HE1 PHE A 28 8.422 11.275 7.047 1.00 0.00 H new ATOM 0 HE2 PHE A 28 10.243 7.710 8.511 1.00 0.00 H new ATOM 0 HZ PHE A 28 10.421 9.867 7.338 1.00 0.00 H new ATOM 423 N GLY A 29 3.459 8.854 11.944 1.00 0.00 N ATOM 424 CA GLY A 29 2.238 8.359 12.552 1.00 0.00 C ATOM 425 C GLY A 29 1.772 7.055 11.936 1.00 0.00 C ATOM 426 O GLY A 29 0.642 6.956 11.455 1.00 0.00 O ATOM 0 H GLY A 29 4.125 9.268 12.596 1.00 0.00 H new ATOM 0 HA2 GLY A 29 2.400 8.215 13.620 1.00 0.00 H new ATOM 0 HA3 GLY A 29 1.453 9.108 12.446 1.00 0.00 H new ATOM 430 N ILE A 30 2.643 6.052 11.948 1.00 0.00 N ATOM 431 CA ILE A 30 2.314 4.748 11.386 1.00 0.00 C ATOM 432 C ILE A 30 3.057 3.632 12.114 1.00 0.00 C ATOM 433 O ILE A 30 4.082 3.868 12.752 1.00 0.00 O ATOM 434 CB ILE A 30 2.652 4.680 9.885 1.00 0.00 C ATOM 435 CG1 ILE A 30 4.025 5.303 9.621 1.00 0.00 C ATOM 436 CG2 ILE A 30 1.579 5.383 9.068 1.00 0.00 C ATOM 437 CD1 ILE A 30 4.453 5.229 8.172 1.00 0.00 C ATOM 0 H ILE A 30 3.582 6.117 12.341 1.00 0.00 H new ATOM 0 HA ILE A 30 1.240 4.611 11.515 1.00 0.00 H new ATOM 0 HB ILE A 30 2.684 3.634 9.581 1.00 0.00 H new ATOM 0 HG12 ILE A 30 4.007 6.347 9.933 1.00 0.00 H new ATOM 0 HG13 ILE A 30 4.769 4.798 10.237 1.00 0.00 H new ATOM 0 HG21 ILE A 30 1.832 5.326 8.009 1.00 0.00 H new ATOM 0 HG22 ILE A 30 0.617 4.899 9.237 1.00 0.00 H new ATOM 0 HG23 ILE A 30 1.518 6.428 9.371 1.00 0.00 H new ATOM 0 HD11 ILE A 30 5.435 5.689 8.059 1.00 0.00 H new ATOM 0 HD12 ILE A 30 4.503 4.186 7.860 1.00 0.00 H new ATOM 0 HD13 ILE A 30 3.730 5.759 7.552 1.00 0.00 H new ATOM 449 N ALA A 31 2.532 2.415 12.012 1.00 0.00 N ATOM 450 CA ALA A 31 3.148 1.262 12.657 1.00 0.00 C ATOM 451 C ALA A 31 3.074 0.029 11.762 1.00 0.00 C ATOM 452 O ALA A 31 2.084 -0.186 11.064 1.00 0.00 O ATOM 453 CB ALA A 31 2.478 0.986 13.995 1.00 0.00 C ATOM 0 H ALA A 31 1.682 2.202 11.489 1.00 0.00 H new ATOM 0 HA ALA A 31 4.199 1.491 12.830 1.00 0.00 H new ATOM 0 HB1 ALA A 31 2.948 0.122 14.466 1.00 0.00 H new ATOM 0 HB2 ALA A 31 2.586 1.856 14.643 1.00 0.00 H new ATOM 0 HB3 ALA A 31 1.419 0.781 13.836 1.00 0.00 H new ATOM 459 N VAL A 32 4.130 -0.778 11.787 1.00 0.00 N ATOM 460 CA VAL A 32 4.186 -1.990 10.979 1.00 0.00 C ATOM 461 C VAL A 32 4.154 -3.238 11.855 1.00 0.00 C ATOM 462 O VAL A 32 4.731 -3.259 12.943 1.00 0.00 O ATOM 463 CB VAL A 32 5.452 -2.024 10.103 1.00 0.00 C ATOM 464 CG1 VAL A 32 5.403 -0.926 9.051 1.00 0.00 C ATOM 465 CG2 VAL A 32 6.699 -1.892 10.964 1.00 0.00 C ATOM 0 H VAL A 32 4.959 -0.614 12.359 1.00 0.00 H new ATOM 0 HA VAL A 32 3.307 -1.980 10.334 1.00 0.00 H new ATOM 0 HB VAL A 32 5.492 -2.985 9.590 1.00 0.00 H new ATOM 0 HG11 VAL A 32 6.306 -0.966 8.441 1.00 0.00 H new ATOM 0 HG12 VAL A 32 4.529 -1.070 8.415 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.339 0.045 9.542 1.00 0.00 H new ATOM 0 HG21 VAL A 32 7.584 -1.918 10.329 1.00 0.00 H new ATOM 0 HG22 VAL A 32 6.669 -0.947 11.506 1.00 0.00 H new ATOM 0 HG23 VAL A 32 6.739 -2.717 11.676 1.00 0.00 H new ATOM 475 N SER A 33 3.478 -4.275 11.374 1.00 0.00 N ATOM 476 CA SER A 33 3.368 -5.526 12.115 1.00 0.00 C ATOM 477 C SER A 33 3.561 -6.724 11.190 1.00 0.00 C ATOM 478 O SER A 33 3.106 -6.720 10.047 1.00 0.00 O ATOM 479 CB SER A 33 2.007 -5.616 12.808 1.00 0.00 C ATOM 480 OG SER A 33 2.035 -4.978 14.073 1.00 0.00 O ATOM 0 H SER A 33 2.998 -4.274 10.474 1.00 0.00 H new ATOM 0 HA SER A 33 4.153 -5.542 12.871 1.00 0.00 H new ATOM 0 HB2 SER A 33 1.245 -5.153 12.181 1.00 0.00 H new ATOM 0 HB3 SER A 33 1.727 -6.662 12.931 1.00 0.00 H new ATOM 0 HG SER A 33 1.153 -5.048 14.494 1.00 0.00 H new ATOM 486 N GLY A 34 4.239 -7.751 11.695 1.00 0.00 N ATOM 487 CA GLY A 34 4.481 -8.942 10.902 1.00 0.00 C ATOM 488 C GLY A 34 5.957 -9.182 10.652 1.00 0.00 C ATOM 489 O GLY A 34 6.799 -8.830 11.477 1.00 0.00 O ATOM 0 H GLY A 34 4.625 -7.779 12.639 1.00 0.00 H new ATOM 0 HA2 GLY A 34 4.057 -9.807 11.412 1.00 0.00 H new ATOM 0 HA3 GLY A 34 3.964 -8.850 9.947 1.00 0.00 H new ATOM 493 N GLY A 35 6.272 -9.786 9.510 1.00 0.00 N ATOM 494 CA GLY A 35 7.656 -10.064 9.176 1.00 0.00 C ATOM 495 C GLY A 35 7.813 -11.339 8.370 1.00 0.00 C ATOM 496 O GLY A 35 6.918 -12.185 8.353 1.00 0.00 O ATOM 0 H GLY A 35 5.593 -10.087 8.811 1.00 0.00 H new ATOM 0 HA2 GLY A 35 8.065 -9.227 8.610 1.00 0.00 H new ATOM 0 HA3 GLY A 35 8.239 -10.144 10.093 1.00 0.00 H new ATOM 500 N ARG A 36 8.952 -11.477 7.699 1.00 0.00 N ATOM 501 CA ARG A 36 9.221 -12.656 6.886 1.00 0.00 C ATOM 502 C ARG A 36 9.479 -13.876 7.765 1.00 0.00 C ATOM 503 O ARG A 36 9.564 -15.002 7.273 1.00 0.00 O ATOM 504 CB ARG A 36 10.424 -12.409 5.973 1.00 0.00 C ATOM 505 CG ARG A 36 11.714 -12.134 6.727 1.00 0.00 C ATOM 506 CD ARG A 36 12.934 -12.391 5.856 1.00 0.00 C ATOM 507 NE ARG A 36 14.141 -12.598 6.651 1.00 0.00 N ATOM 508 CZ ARG A 36 15.338 -12.830 6.124 1.00 0.00 C ATOM 509 NH1 ARG A 36 15.487 -12.885 4.807 1.00 0.00 N ATOM 510 NH2 ARG A 36 16.389 -13.008 6.913 1.00 0.00 N ATOM 0 H ARG A 36 9.703 -10.787 7.703 1.00 0.00 H new ATOM 0 HA ARG A 36 8.341 -12.851 6.273 1.00 0.00 H new ATOM 0 HB2 ARG A 36 10.567 -13.278 5.331 1.00 0.00 H new ATOM 0 HB3 ARG A 36 10.207 -11.563 5.321 1.00 0.00 H new ATOM 0 HG2 ARG A 36 11.722 -11.100 7.071 1.00 0.00 H new ATOM 0 HG3 ARG A 36 11.760 -12.765 7.614 1.00 0.00 H new ATOM 0 HD2 ARG A 36 12.756 -13.267 5.233 1.00 0.00 H new ATOM 0 HD3 ARG A 36 13.084 -11.546 5.183 1.00 0.00 H new ATOM 0 HE ARG A 36 14.061 -12.562 7.667 1.00 0.00 H new ATOM 0 HH11 ARG A 36 14.681 -12.749 4.196 1.00 0.00 H new ATOM 0 HH12 ARG A 36 16.407 -13.063 4.405 1.00 0.00 H new ATOM 0 HH21 ARG A 36 16.279 -12.967 7.926 1.00 0.00 H new ATOM 0 HH22 ARG A 36 17.307 -13.186 6.507 1.00 0.00 H new ATOM 524 N ASP A 37 9.604 -13.645 9.067 1.00 0.00 N ATOM 525 CA ASP A 37 9.852 -14.724 10.016 1.00 0.00 C ATOM 526 C ASP A 37 8.771 -14.762 11.091 1.00 0.00 C ATOM 527 O ASP A 37 8.593 -15.772 11.770 1.00 0.00 O ATOM 528 CB ASP A 37 11.227 -14.556 10.664 1.00 0.00 C ATOM 529 CG ASP A 37 11.603 -15.737 11.538 1.00 0.00 C ATOM 530 OD1 ASP A 37 11.854 -16.828 10.985 1.00 0.00 O ATOM 531 OD2 ASP A 37 11.646 -15.569 12.775 1.00 0.00 O ATOM 0 H ASP A 37 9.538 -12.719 9.490 1.00 0.00 H new ATOM 0 HA ASP A 37 9.829 -15.667 9.470 1.00 0.00 H new ATOM 0 HB2 ASP A 37 11.979 -14.430 9.886 1.00 0.00 H new ATOM 0 HB3 ASP A 37 11.234 -13.646 11.265 1.00 0.00 H new ATOM 536 N ASN A 38 8.052 -13.654 11.239 1.00 0.00 N ATOM 537 CA ASN A 38 6.989 -13.560 12.233 1.00 0.00 C ATOM 538 C ASN A 38 5.738 -12.925 11.634 1.00 0.00 C ATOM 539 O ASN A 38 5.265 -11.881 12.084 1.00 0.00 O ATOM 540 CB ASN A 38 7.460 -12.745 13.440 1.00 0.00 C ATOM 541 CG ASN A 38 6.735 -13.129 14.715 1.00 0.00 C ATOM 542 OD1 ASN A 38 5.693 -12.562 15.044 1.00 0.00 O ATOM 543 ND2 ASN A 38 7.286 -14.095 15.441 1.00 0.00 N ATOM 0 H ASN A 38 8.186 -12.809 10.684 1.00 0.00 H new ATOM 0 HA ASN A 38 6.742 -14.570 12.559 1.00 0.00 H new ATOM 0 HB2 ASN A 38 8.532 -12.890 13.577 1.00 0.00 H new ATOM 0 HB3 ASN A 38 7.304 -11.684 13.242 1.00 0.00 H new ATOM 0 HD21 ASN A 38 6.844 -14.395 16.310 1.00 0.00 H new ATOM 0 HD22 ASN A 38 8.151 -14.537 15.129 1.00 0.00 H new ATOM 550 N PRO A 39 5.188 -13.568 10.593 1.00 0.00 N ATOM 551 CA PRO A 39 3.985 -13.085 9.910 1.00 0.00 C ATOM 552 C PRO A 39 2.736 -13.214 10.775 1.00 0.00 C ATOM 553 O PRO A 39 1.970 -14.168 10.639 1.00 0.00 O ATOM 554 CB PRO A 39 3.883 -13.997 8.684 1.00 0.00 C ATOM 555 CG PRO A 39 4.592 -15.245 9.081 1.00 0.00 C ATOM 556 CD PRO A 39 5.699 -14.817 10.004 1.00 0.00 C ATOM 0 HA PRO A 39 4.053 -12.025 9.666 1.00 0.00 H new ATOM 0 HB2 PRO A 39 2.843 -14.198 8.425 1.00 0.00 H new ATOM 0 HB3 PRO A 39 4.347 -13.539 7.810 1.00 0.00 H new ATOM 0 HG2 PRO A 39 3.914 -15.937 9.580 1.00 0.00 H new ATOM 0 HG3 PRO A 39 4.990 -15.762 8.208 1.00 0.00 H new ATOM 0 HD2 PRO A 39 5.899 -15.569 10.767 1.00 0.00 H new ATOM 0 HD3 PRO A 39 6.632 -14.655 9.464 1.00 0.00 H new ATOM 564 N HIS A 40 2.536 -12.247 11.666 1.00 0.00 N ATOM 565 CA HIS A 40 1.378 -12.252 12.553 1.00 0.00 C ATOM 566 C HIS A 40 0.105 -12.589 11.783 1.00 0.00 C ATOM 567 O HIS A 40 -0.764 -13.304 12.282 1.00 0.00 O ATOM 568 CB HIS A 40 1.229 -10.894 13.239 1.00 0.00 C ATOM 569 CG HIS A 40 0.113 -10.847 14.236 1.00 0.00 C ATOM 570 ND1 HIS A 40 -1.160 -11.301 13.964 1.00 0.00 N ATOM 571 CD2 HIS A 40 0.085 -10.396 15.513 1.00 0.00 C ATOM 572 CE1 HIS A 40 -1.923 -11.130 15.028 1.00 0.00 C ATOM 573 NE2 HIS A 40 -1.192 -10.584 15.982 1.00 0.00 N ATOM 0 H HIS A 40 3.161 -11.451 11.793 1.00 0.00 H new ATOM 0 HA HIS A 40 1.536 -13.018 13.312 1.00 0.00 H new ATOM 0 HB2 HIS A 40 2.164 -10.645 13.740 1.00 0.00 H new ATOM 0 HB3 HIS A 40 1.060 -10.129 12.481 1.00 0.00 H new ATOM 0 HD1 HIS A 40 -1.465 -11.706 13.079 1.00 0.00 H new ATOM 0 HD2 HIS A 40 0.912 -9.968 16.060 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -2.968 -11.392 15.105 1.00 0.00 H new ATOM 582 N PHE A 41 0.001 -12.069 10.564 1.00 0.00 N ATOM 583 CA PHE A 41 -1.167 -12.314 9.726 1.00 0.00 C ATOM 584 C PHE A 41 -1.727 -13.712 9.968 1.00 0.00 C ATOM 585 O PHE A 41 -1.209 -14.698 9.446 1.00 0.00 O ATOM 586 CB PHE A 41 -0.804 -12.146 8.249 1.00 0.00 C ATOM 587 CG PHE A 41 -1.944 -11.652 7.404 1.00 0.00 C ATOM 588 CD1 PHE A 41 -2.985 -12.499 7.058 1.00 0.00 C ATOM 589 CD2 PHE A 41 -1.974 -10.342 6.955 1.00 0.00 C ATOM 590 CE1 PHE A 41 -4.036 -12.048 6.282 1.00 0.00 C ATOM 591 CE2 PHE A 41 -3.022 -9.885 6.179 1.00 0.00 C ATOM 592 CZ PHE A 41 -4.053 -10.739 5.841 1.00 0.00 C ATOM 0 H PHE A 41 0.711 -11.476 10.135 1.00 0.00 H new ATOM 0 HA PHE A 41 -1.933 -11.585 9.991 1.00 0.00 H new ATOM 0 HB2 PHE A 41 0.029 -11.448 8.165 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -0.459 -13.103 7.857 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -2.975 -13.524 7.399 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -1.169 -9.670 7.214 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -4.842 -12.718 6.021 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -3.035 -8.861 5.837 1.00 0.00 H new ATOM 0 HZ PHE A 41 -4.872 -10.384 5.233 1.00 0.00 H new ATOM 602 N GLU A 42 -2.789 -13.787 10.765 1.00 0.00 N ATOM 603 CA GLU A 42 -3.419 -15.065 11.078 1.00 0.00 C ATOM 604 C GLU A 42 -3.332 -16.019 9.890 1.00 0.00 C ATOM 605 O GLU A 42 -2.970 -17.185 10.043 1.00 0.00 O ATOM 606 CB GLU A 42 -4.883 -14.854 11.471 1.00 0.00 C ATOM 607 CG GLU A 42 -5.399 -15.878 12.468 1.00 0.00 C ATOM 608 CD GLU A 42 -6.884 -16.141 12.318 1.00 0.00 C ATOM 609 OE1 GLU A 42 -7.684 -15.286 12.752 1.00 0.00 O ATOM 610 OE2 GLU A 42 -7.247 -17.201 11.767 1.00 0.00 O ATOM 0 H GLU A 42 -3.230 -12.979 11.205 1.00 0.00 H new ATOM 0 HA GLU A 42 -2.885 -15.509 11.918 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -4.996 -13.857 11.896 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -5.500 -14.890 10.573 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -4.853 -16.813 12.338 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -5.196 -15.528 13.480 1.00 0.00 H new ATOM 617 N ASN A 43 -3.669 -15.515 8.708 1.00 0.00 N ATOM 618 CA ASN A 43 -3.630 -16.323 7.494 1.00 0.00 C ATOM 619 C ASN A 43 -2.200 -16.737 7.161 1.00 0.00 C ATOM 620 O ASN A 43 -1.902 -17.923 7.027 1.00 0.00 O ATOM 621 CB ASN A 43 -4.234 -15.547 6.321 1.00 0.00 C ATOM 622 CG ASN A 43 -4.797 -16.463 5.251 1.00 0.00 C ATOM 623 OD1 ASN A 43 -5.036 -17.646 5.494 1.00 0.00 O ATOM 624 ND2 ASN A 43 -5.011 -15.918 4.059 1.00 0.00 N ATOM 0 H ASN A 43 -3.972 -14.552 8.564 1.00 0.00 H new ATOM 0 HA ASN A 43 -4.219 -17.224 7.668 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -5.025 -14.894 6.690 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -3.470 -14.906 5.881 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -5.388 -16.485 3.299 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -4.798 -14.933 3.903 1.00 0.00 H new ATOM 631 N GLY A 44 -1.319 -15.751 7.030 1.00 0.00 N ATOM 632 CA GLY A 44 0.069 -16.033 6.715 1.00 0.00 C ATOM 633 C GLY A 44 0.565 -15.243 5.520 1.00 0.00 C ATOM 634 O GLY A 44 0.599 -15.755 4.401 1.00 0.00 O ATOM 0 H GLY A 44 -1.542 -14.761 7.136 1.00 0.00 H new ATOM 0 HA2 GLY A 44 0.689 -15.803 7.581 1.00 0.00 H new ATOM 0 HA3 GLY A 44 0.184 -17.098 6.515 1.00 0.00 H new ATOM 638 N GLU A 45 0.947 -13.992 5.756 1.00 0.00 N ATOM 639 CA GLU A 45 1.440 -13.130 4.689 1.00 0.00 C ATOM 640 C GLU A 45 2.738 -12.441 5.101 1.00 0.00 C ATOM 641 O GLU A 45 2.735 -11.526 5.925 1.00 0.00 O ATOM 642 CB GLU A 45 0.388 -12.081 4.323 1.00 0.00 C ATOM 643 CG GLU A 45 0.896 -11.017 3.364 1.00 0.00 C ATOM 644 CD GLU A 45 0.680 -11.390 1.910 1.00 0.00 C ATOM 645 OE1 GLU A 45 -0.493 -11.527 1.502 1.00 0.00 O ATOM 646 OE2 GLU A 45 1.682 -11.545 1.182 1.00 0.00 O ATOM 0 H GLU A 45 0.924 -13.553 6.676 1.00 0.00 H new ATOM 0 HA GLU A 45 1.640 -13.753 3.818 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -0.471 -12.581 3.875 1.00 0.00 H new ATOM 0 HB3 GLU A 45 0.036 -11.598 5.235 1.00 0.00 H new ATOM 0 HG2 GLU A 45 0.390 -10.074 3.572 1.00 0.00 H new ATOM 0 HG3 GLU A 45 1.959 -10.853 3.539 1.00 0.00 H new ATOM 653 N THR A 46 3.848 -12.889 4.523 1.00 0.00 N ATOM 654 CA THR A 46 5.154 -12.319 4.830 1.00 0.00 C ATOM 655 C THR A 46 5.341 -10.972 4.142 1.00 0.00 C ATOM 656 O THR A 46 6.363 -10.728 3.500 1.00 0.00 O ATOM 657 CB THR A 46 6.294 -13.263 4.404 1.00 0.00 C ATOM 658 OG1 THR A 46 6.196 -13.549 3.004 1.00 0.00 O ATOM 659 CG2 THR A 46 6.246 -14.561 5.196 1.00 0.00 C ATOM 0 H THR A 46 3.869 -13.646 3.839 1.00 0.00 H new ATOM 0 HA THR A 46 5.192 -12.181 5.911 1.00 0.00 H new ATOM 0 HB THR A 46 7.243 -12.766 4.608 1.00 0.00 H new ATOM 0 HG1 THR A 46 6.925 -14.148 2.741 1.00 0.00 H new ATOM 0 HG21 THR A 46 7.061 -15.212 4.878 1.00 0.00 H new ATOM 0 HG22 THR A 46 6.350 -14.343 6.259 1.00 0.00 H new ATOM 0 HG23 THR A 46 5.293 -15.060 5.020 1.00 0.00 H new ATOM 667 N SER A 47 4.348 -10.098 4.280 1.00 0.00 N ATOM 668 CA SER A 47 4.403 -8.776 3.668 1.00 0.00 C ATOM 669 C SER A 47 4.082 -7.690 4.692 1.00 0.00 C ATOM 670 O SER A 47 2.980 -7.644 5.238 1.00 0.00 O ATOM 671 CB SER A 47 3.424 -8.692 2.496 1.00 0.00 C ATOM 672 OG SER A 47 3.892 -9.441 1.387 1.00 0.00 O ATOM 0 H SER A 47 3.496 -10.282 4.810 1.00 0.00 H new ATOM 0 HA SER A 47 5.416 -8.616 3.298 1.00 0.00 H new ATOM 0 HB2 SER A 47 2.448 -9.066 2.806 1.00 0.00 H new ATOM 0 HB3 SER A 47 3.289 -7.650 2.205 1.00 0.00 H new ATOM 0 HG SER A 47 3.276 -10.182 1.209 1.00 0.00 H new ATOM 678 N ILE A 48 5.053 -6.820 4.945 1.00 0.00 N ATOM 679 CA ILE A 48 4.875 -5.734 5.901 1.00 0.00 C ATOM 680 C ILE A 48 3.594 -4.957 5.618 1.00 0.00 C ATOM 681 O ILE A 48 3.359 -4.515 4.493 1.00 0.00 O ATOM 682 CB ILE A 48 6.068 -4.761 5.877 1.00 0.00 C ATOM 683 CG1 ILE A 48 7.373 -5.512 6.152 1.00 0.00 C ATOM 684 CG2 ILE A 48 5.866 -3.649 6.896 1.00 0.00 C ATOM 685 CD1 ILE A 48 7.299 -6.431 7.352 1.00 0.00 C ATOM 0 H ILE A 48 5.971 -6.846 4.502 1.00 0.00 H new ATOM 0 HA ILE A 48 4.810 -6.191 6.888 1.00 0.00 H new ATOM 0 HB ILE A 48 6.131 -4.312 4.886 1.00 0.00 H new ATOM 0 HG12 ILE A 48 7.638 -6.097 5.272 1.00 0.00 H new ATOM 0 HG13 ILE A 48 8.174 -4.789 6.307 1.00 0.00 H new ATOM 0 HG21 ILE A 48 6.718 -2.970 6.867 1.00 0.00 H new ATOM 0 HG22 ILE A 48 4.955 -3.099 6.659 1.00 0.00 H new ATOM 0 HG23 ILE A 48 5.780 -4.081 7.893 1.00 0.00 H new ATOM 0 HD11 ILE A 48 8.258 -6.930 7.488 1.00 0.00 H new ATOM 0 HD12 ILE A 48 7.064 -5.848 8.243 1.00 0.00 H new ATOM 0 HD13 ILE A 48 6.521 -7.177 7.191 1.00 0.00 H new ATOM 697 N VAL A 49 2.768 -4.792 6.647 1.00 0.00 N ATOM 698 CA VAL A 49 1.512 -4.065 6.510 1.00 0.00 C ATOM 699 C VAL A 49 1.319 -3.080 7.657 1.00 0.00 C ATOM 700 O VAL A 49 1.677 -3.365 8.800 1.00 0.00 O ATOM 701 CB VAL A 49 0.309 -5.027 6.466 1.00 0.00 C ATOM 702 CG1 VAL A 49 -0.017 -5.408 5.030 1.00 0.00 C ATOM 703 CG2 VAL A 49 0.586 -6.264 7.305 1.00 0.00 C ATOM 0 H VAL A 49 2.947 -5.152 7.584 1.00 0.00 H new ATOM 0 HA VAL A 49 1.565 -3.517 5.569 1.00 0.00 H new ATOM 0 HB VAL A 49 -0.558 -4.518 6.887 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -0.869 -6.088 5.018 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -0.261 -4.510 4.462 1.00 0.00 H new ATOM 0 HG13 VAL A 49 0.845 -5.899 4.579 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -0.274 -6.932 7.263 1.00 0.00 H new ATOM 0 HG22 VAL A 49 1.465 -6.778 6.916 1.00 0.00 H new ATOM 0 HG23 VAL A 49 0.766 -5.970 8.339 1.00 0.00 H new ATOM 713 N ILE A 50 0.751 -1.920 7.344 1.00 0.00 N ATOM 714 CA ILE A 50 0.509 -0.893 8.350 1.00 0.00 C ATOM 715 C ILE A 50 -0.692 -1.248 9.220 1.00 0.00 C ATOM 716 O ILE A 50 -1.839 -1.138 8.788 1.00 0.00 O ATOM 717 CB ILE A 50 0.270 0.484 7.702 1.00 0.00 C ATOM 718 CG1 ILE A 50 1.548 0.981 7.023 1.00 0.00 C ATOM 719 CG2 ILE A 50 -0.206 1.484 8.745 1.00 0.00 C ATOM 720 CD1 ILE A 50 2.569 1.537 7.991 1.00 0.00 C ATOM 0 H ILE A 50 0.450 -1.668 6.403 1.00 0.00 H new ATOM 0 HA ILE A 50 1.403 -0.843 8.972 1.00 0.00 H new ATOM 0 HB ILE A 50 -0.506 0.383 6.943 1.00 0.00 H new ATOM 0 HG12 ILE A 50 1.997 0.159 6.466 1.00 0.00 H new ATOM 0 HG13 ILE A 50 1.288 1.753 6.298 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -0.371 2.452 8.272 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -1.138 1.133 9.187 1.00 0.00 H new ATOM 0 HG23 ILE A 50 0.550 1.584 9.524 1.00 0.00 H new ATOM 0 HD11 ILE A 50 3.449 1.870 7.440 1.00 0.00 H new ATOM 0 HD12 ILE A 50 2.138 2.380 8.530 1.00 0.00 H new ATOM 0 HD13 ILE A 50 2.857 0.762 8.701 1.00 0.00 H new ATOM 732 N SER A 51 -0.419 -1.673 10.450 1.00 0.00 N ATOM 733 CA SER A 51 -1.477 -2.046 11.382 1.00 0.00 C ATOM 734 C SER A 51 -1.888 -0.855 12.242 1.00 0.00 C ATOM 735 O SER A 51 -2.571 -1.013 13.255 1.00 0.00 O ATOM 736 CB SER A 51 -1.016 -3.200 12.274 1.00 0.00 C ATOM 737 OG SER A 51 -2.123 -3.899 12.816 1.00 0.00 O ATOM 0 H SER A 51 0.525 -1.767 10.824 1.00 0.00 H new ATOM 0 HA SER A 51 -2.342 -2.368 10.802 1.00 0.00 H new ATOM 0 HB2 SER A 51 -0.397 -3.886 11.696 1.00 0.00 H new ATOM 0 HB3 SER A 51 -0.395 -2.814 13.082 1.00 0.00 H new ATOM 0 HG SER A 51 -2.765 -3.258 13.186 1.00 0.00 H new ATOM 743 N ASP A 52 -1.467 0.336 11.832 1.00 0.00 N ATOM 744 CA ASP A 52 -1.792 1.555 12.564 1.00 0.00 C ATOM 745 C ASP A 52 -1.570 2.788 11.692 1.00 0.00 C ATOM 746 O ASP A 52 -0.514 2.945 11.078 1.00 0.00 O ATOM 747 CB ASP A 52 -0.945 1.654 13.834 1.00 0.00 C ATOM 748 CG ASP A 52 -1.587 2.530 14.891 1.00 0.00 C ATOM 749 OD1 ASP A 52 -1.388 3.762 14.842 1.00 0.00 O ATOM 750 OD2 ASP A 52 -2.288 1.984 15.768 1.00 0.00 O ATOM 0 H ASP A 52 -0.900 0.484 10.997 1.00 0.00 H new ATOM 0 HA ASP A 52 -2.845 1.513 12.842 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -0.787 0.655 14.241 1.00 0.00 H new ATOM 0 HB3 ASP A 52 0.037 2.054 13.582 1.00 0.00 H new ATOM 755 N VAL A 53 -2.572 3.659 11.642 1.00 0.00 N ATOM 756 CA VAL A 53 -2.487 4.877 10.846 1.00 0.00 C ATOM 757 C VAL A 53 -2.992 6.083 11.630 1.00 0.00 C ATOM 758 O VAL A 53 -4.195 6.345 11.681 1.00 0.00 O ATOM 759 CB VAL A 53 -3.294 4.752 9.540 1.00 0.00 C ATOM 760 CG1 VAL A 53 -3.454 6.113 8.879 1.00 0.00 C ATOM 761 CG2 VAL A 53 -2.627 3.766 8.594 1.00 0.00 C ATOM 0 H VAL A 53 -3.453 3.544 12.144 1.00 0.00 H new ATOM 0 HA VAL A 53 -1.435 5.022 10.601 1.00 0.00 H new ATOM 0 HB VAL A 53 -4.287 4.373 9.782 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -4.027 6.005 7.958 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -3.979 6.787 9.556 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -2.471 6.524 8.649 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -3.211 3.690 7.677 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -1.621 4.113 8.357 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -2.570 2.787 9.070 1.00 0.00 H new ATOM 771 N LEU A 54 -2.067 6.815 12.240 1.00 0.00 N ATOM 772 CA LEU A 54 -2.418 7.995 13.022 1.00 0.00 C ATOM 773 C LEU A 54 -3.619 8.714 12.415 1.00 0.00 C ATOM 774 O LEU A 54 -3.519 9.377 11.382 1.00 0.00 O ATOM 775 CB LEU A 54 -1.226 8.950 13.105 1.00 0.00 C ATOM 776 CG LEU A 54 -1.126 9.791 14.378 1.00 0.00 C ATOM 777 CD1 LEU A 54 -1.055 8.895 15.605 1.00 0.00 C ATOM 778 CD2 LEU A 54 0.084 10.711 14.316 1.00 0.00 C ATOM 0 H LEU A 54 -1.068 6.612 12.208 1.00 0.00 H new ATOM 0 HA LEU A 54 -2.684 7.668 14.027 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -0.311 8.366 13.007 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.267 9.625 12.250 1.00 0.00 H new ATOM 0 HG LEU A 54 -2.022 10.407 14.455 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -0.984 9.511 16.502 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -1.953 8.279 15.658 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -0.177 8.252 15.536 1.00 0.00 H new ATOM 0 HD21 LEU A 54 0.139 11.302 15.230 1.00 0.00 H new ATOM 0 HD22 LEU A 54 0.990 10.114 14.215 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.009 11.377 13.458 1.00 0.00 H new ATOM 790 N PRO A 55 -4.781 8.582 13.070 1.00 0.00 N ATOM 791 CA PRO A 55 -6.023 9.214 12.615 1.00 0.00 C ATOM 792 C PRO A 55 -5.994 10.730 12.772 1.00 0.00 C ATOM 793 O PRO A 55 -6.895 11.429 12.311 1.00 0.00 O ATOM 794 CB PRO A 55 -7.088 8.602 13.528 1.00 0.00 C ATOM 795 CG PRO A 55 -6.350 8.208 14.760 1.00 0.00 C ATOM 796 CD PRO A 55 -4.973 7.806 14.307 1.00 0.00 C ATOM 0 HA PRO A 55 -6.202 9.042 11.554 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -7.877 9.320 13.752 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -7.564 7.741 13.059 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -6.302 9.036 15.468 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -6.850 7.383 15.268 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -4.217 8.048 15.054 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -4.908 6.734 14.123 1.00 0.00 H new ATOM 804 N GLY A 56 -4.951 11.233 13.427 1.00 0.00 N ATOM 805 CA GLY A 56 -4.824 12.663 13.633 1.00 0.00 C ATOM 806 C GLY A 56 -3.451 13.183 13.258 1.00 0.00 C ATOM 807 O GLY A 56 -3.052 14.267 13.684 1.00 0.00 O ATOM 0 H GLY A 56 -4.192 10.675 13.818 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -5.579 13.181 13.041 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -5.024 12.895 14.679 1.00 0.00 H new ATOM 811 N GLY A 57 -2.723 12.408 12.459 1.00 0.00 N ATOM 812 CA GLY A 57 -1.393 12.813 12.043 1.00 0.00 C ATOM 813 C GLY A 57 -1.274 12.951 10.538 1.00 0.00 C ATOM 814 O GLY A 57 -2.265 13.132 9.830 1.00 0.00 O ATOM 0 H GLY A 57 -3.031 11.507 12.093 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -1.142 13.764 12.513 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -0.666 12.081 12.396 1.00 0.00 H new ATOM 818 N PRO A 58 -0.036 12.867 10.028 1.00 0.00 N ATOM 819 CA PRO A 58 0.238 12.983 8.593 1.00 0.00 C ATOM 820 C PRO A 58 -0.273 11.781 7.806 1.00 0.00 C ATOM 821 O PRO A 58 -0.700 11.914 6.660 1.00 0.00 O ATOM 822 CB PRO A 58 1.766 13.054 8.529 1.00 0.00 C ATOM 823 CG PRO A 58 2.230 12.365 9.766 1.00 0.00 C ATOM 824 CD PRO A 58 1.190 12.653 10.814 1.00 0.00 C ATOM 0 HA PRO A 58 -0.262 13.845 8.151 1.00 0.00 H new ATOM 0 HB2 PRO A 58 2.148 12.562 7.635 1.00 0.00 H new ATOM 0 HB3 PRO A 58 2.113 14.087 8.497 1.00 0.00 H new ATOM 0 HG2 PRO A 58 2.331 11.292 9.601 1.00 0.00 H new ATOM 0 HG3 PRO A 58 3.208 12.734 10.075 1.00 0.00 H new ATOM 0 HD2 PRO A 58 1.081 11.822 11.511 1.00 0.00 H new ATOM 0 HD3 PRO A 58 1.447 13.532 11.405 1.00 0.00 H new ATOM 832 N ALA A 59 -0.227 10.608 8.430 1.00 0.00 N ATOM 833 CA ALA A 59 -0.687 9.383 7.789 1.00 0.00 C ATOM 834 C ALA A 59 -2.185 9.440 7.508 1.00 0.00 C ATOM 835 O ALA A 59 -2.638 9.073 6.424 1.00 0.00 O ATOM 836 CB ALA A 59 -0.356 8.177 8.655 1.00 0.00 C ATOM 0 H ALA A 59 0.124 10.481 9.379 1.00 0.00 H new ATOM 0 HA ALA A 59 -0.168 9.284 6.835 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -0.706 7.269 8.163 1.00 0.00 H new ATOM 0 HB2 ALA A 59 0.723 8.119 8.800 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -0.848 8.278 9.623 1.00 0.00 H new ATOM 842 N ASP A 60 -2.949 9.902 8.492 1.00 0.00 N ATOM 843 CA ASP A 60 -4.397 10.007 8.350 1.00 0.00 C ATOM 844 C ASP A 60 -4.769 10.603 6.996 1.00 0.00 C ATOM 845 O ASP A 60 -4.866 11.820 6.847 1.00 0.00 O ATOM 846 CB ASP A 60 -4.980 10.864 9.475 1.00 0.00 C ATOM 847 CG ASP A 60 -6.225 11.615 9.046 1.00 0.00 C ATOM 848 OD1 ASP A 60 -7.180 10.961 8.579 1.00 0.00 O ATOM 849 OD2 ASP A 60 -6.243 12.857 9.176 1.00 0.00 O ATOM 0 H ASP A 60 -2.590 10.210 9.396 1.00 0.00 H new ATOM 0 HA ASP A 60 -4.817 9.003 8.413 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -5.219 10.227 10.326 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -4.227 11.577 9.812 1.00 0.00 H new ATOM 854 N GLY A 61 -4.974 9.735 6.010 1.00 0.00 N ATOM 855 CA GLY A 61 -5.331 10.194 4.680 1.00 0.00 C ATOM 856 C GLY A 61 -4.378 9.686 3.616 1.00 0.00 C ATOM 857 O GLY A 61 -4.805 9.125 2.606 1.00 0.00 O ATOM 0 H GLY A 61 -4.899 8.723 6.108 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -6.343 9.864 4.445 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -5.340 11.284 4.665 1.00 0.00 H new ATOM 861 N LEU A 62 -3.084 9.885 3.840 1.00 0.00 N ATOM 862 CA LEU A 62 -2.067 9.445 2.891 1.00 0.00 C ATOM 863 C LEU A 62 -2.030 7.922 2.800 1.00 0.00 C ATOM 864 O LEU A 62 -2.068 7.354 1.708 1.00 0.00 O ATOM 865 CB LEU A 62 -0.693 9.975 3.304 1.00 0.00 C ATOM 866 CG LEU A 62 -0.529 11.496 3.291 1.00 0.00 C ATOM 867 CD1 LEU A 62 0.776 11.898 3.960 1.00 0.00 C ATOM 868 CD2 LEU A 62 -0.585 12.026 1.865 1.00 0.00 C ATOM 0 H LEU A 62 -2.714 10.348 4.670 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.324 9.844 1.910 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.474 9.614 4.309 1.00 0.00 H new ATOM 0 HB3 LEU A 62 0.056 9.543 2.640 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.352 11.936 3.854 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.875 12.983 3.941 1.00 0.00 H new ATOM 0 HD12 LEU A 62 0.777 11.551 4.993 1.00 0.00 H new ATOM 0 HD13 LEU A 62 1.613 11.448 3.426 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.467 13.110 1.875 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.218 11.579 1.279 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -1.546 11.770 1.419 1.00 0.00 H new ATOM 880 N LEU A 63 -1.958 7.267 3.954 1.00 0.00 N ATOM 881 CA LEU A 63 -1.919 5.810 4.005 1.00 0.00 C ATOM 882 C LEU A 63 -3.083 5.262 4.824 1.00 0.00 C ATOM 883 O LEU A 63 -3.792 6.015 5.492 1.00 0.00 O ATOM 884 CB LEU A 63 -0.592 5.337 4.602 1.00 0.00 C ATOM 885 CG LEU A 63 0.638 5.488 3.707 1.00 0.00 C ATOM 886 CD1 LEU A 63 1.912 5.283 4.512 1.00 0.00 C ATOM 887 CD2 LEU A 63 0.576 4.507 2.545 1.00 0.00 C ATOM 0 H LEU A 63 -1.925 7.722 4.866 1.00 0.00 H new ATOM 0 HA LEU A 63 -2.007 5.433 2.986 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -0.415 5.889 5.525 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -0.693 4.286 4.873 1.00 0.00 H new ATOM 0 HG LEU A 63 0.647 6.500 3.302 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.777 5.394 3.858 1.00 0.00 H new ATOM 0 HD12 LEU A 63 1.962 6.025 5.309 1.00 0.00 H new ATOM 0 HD13 LEU A 63 1.911 4.283 4.946 1.00 0.00 H new ATOM 0 HD21 LEU A 63 1.460 4.629 1.918 1.00 0.00 H new ATOM 0 HD22 LEU A 63 0.542 3.488 2.931 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -0.318 4.701 1.953 1.00 0.00 H new ATOM 899 N GLN A 64 -3.271 3.948 4.770 1.00 0.00 N ATOM 900 CA GLN A 64 -4.348 3.300 5.508 1.00 0.00 C ATOM 901 C GLN A 64 -3.876 1.982 6.115 1.00 0.00 C ATOM 902 O GLN A 64 -2.783 1.506 5.812 1.00 0.00 O ATOM 903 CB GLN A 64 -5.547 3.052 4.591 1.00 0.00 C ATOM 904 CG GLN A 64 -6.324 4.313 4.250 1.00 0.00 C ATOM 905 CD GLN A 64 -7.664 4.018 3.607 1.00 0.00 C ATOM 906 OE1 GLN A 64 -8.608 3.598 4.277 1.00 0.00 O ATOM 907 NE2 GLN A 64 -7.754 4.235 2.300 1.00 0.00 N ATOM 0 H GLN A 64 -2.692 3.311 4.223 1.00 0.00 H new ATOM 0 HA GLN A 64 -4.650 3.965 6.317 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -5.198 2.590 3.668 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -6.219 2.340 5.070 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -6.482 4.895 5.158 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -5.730 4.930 3.576 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -6.946 4.584 1.784 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -8.631 4.053 1.812 1.00 0.00 H new ATOM 916 N GLU A 65 -4.708 1.400 6.974 1.00 0.00 N ATOM 917 CA GLU A 65 -4.374 0.139 7.624 1.00 0.00 C ATOM 918 C GLU A 65 -4.435 -1.018 6.630 1.00 0.00 C ATOM 919 O GLU A 65 -5.318 -1.070 5.776 1.00 0.00 O ATOM 920 CB GLU A 65 -5.327 -0.127 8.791 1.00 0.00 C ATOM 921 CG GLU A 65 -4.687 -0.895 9.936 1.00 0.00 C ATOM 922 CD GLU A 65 -5.689 -1.733 10.707 1.00 0.00 C ATOM 923 OE1 GLU A 65 -6.740 -1.187 11.104 1.00 0.00 O ATOM 924 OE2 GLU A 65 -5.421 -2.935 10.914 1.00 0.00 O ATOM 0 H GLU A 65 -5.617 1.782 7.235 1.00 0.00 H new ATOM 0 HA GLU A 65 -3.356 0.215 8.006 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -5.702 0.825 9.168 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -6.188 -0.686 8.426 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -3.904 -1.543 9.542 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -4.206 -0.192 10.617 1.00 0.00 H new ATOM 931 N ASN A 66 -3.488 -1.943 6.750 1.00 0.00 N ATOM 932 CA ASN A 66 -3.432 -3.099 5.862 1.00 0.00 C ATOM 933 C ASN A 66 -2.930 -2.698 4.478 1.00 0.00 C ATOM 934 O ASN A 66 -3.322 -3.286 3.470 1.00 0.00 O ATOM 935 CB ASN A 66 -4.813 -3.748 5.748 1.00 0.00 C ATOM 936 CG ASN A 66 -5.637 -3.578 7.010 1.00 0.00 C ATOM 937 OD1 ASN A 66 -6.714 -2.807 6.914 1.00 0.00 O flip ATOM 938 ND2 ASN A 66 -5.310 -4.135 8.058 1.00 0.00 N flip ATOM 0 H ASN A 66 -2.749 -1.915 7.453 1.00 0.00 H new ATOM 0 HA ASN A 66 -2.733 -3.819 6.288 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -5.349 -3.310 4.906 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -4.696 -4.810 5.534 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -4.474 -4.719 8.086 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -5.875 -4.013 8.898 1.00 0.00 H new ATOM 945 N ASP A 67 -2.061 -1.694 4.438 1.00 0.00 N ATOM 946 CA ASP A 67 -1.504 -1.215 3.178 1.00 0.00 C ATOM 947 C ASP A 67 -0.271 -2.024 2.787 1.00 0.00 C ATOM 948 O ASP A 67 0.860 -1.612 3.044 1.00 0.00 O ATOM 949 CB ASP A 67 -1.144 0.268 3.286 1.00 0.00 C ATOM 950 CG ASP A 67 -0.016 0.519 4.267 1.00 0.00 C ATOM 951 OD1 ASP A 67 0.301 -0.397 5.055 1.00 0.00 O ATOM 952 OD2 ASP A 67 0.551 1.632 4.247 1.00 0.00 O ATOM 0 H ASP A 67 -1.727 -1.196 5.263 1.00 0.00 H new ATOM 0 HA ASP A 67 -2.260 -1.341 2.403 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -0.857 0.642 2.303 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -2.024 0.831 3.597 1.00 0.00 H new ATOM 957 N ARG A 68 -0.498 -3.176 2.165 1.00 0.00 N ATOM 958 CA ARG A 68 0.594 -4.043 1.741 1.00 0.00 C ATOM 959 C ARG A 68 1.774 -3.222 1.232 1.00 0.00 C ATOM 960 O ARG A 68 1.802 -2.807 0.073 1.00 0.00 O ATOM 961 CB ARG A 68 0.117 -5.002 0.648 1.00 0.00 C ATOM 962 CG ARG A 68 -0.366 -6.341 1.181 1.00 0.00 C ATOM 963 CD ARG A 68 -1.553 -6.173 2.117 1.00 0.00 C ATOM 964 NE ARG A 68 -2.824 -6.196 1.398 1.00 0.00 N ATOM 965 CZ ARG A 68 -3.997 -5.951 1.971 1.00 0.00 C ATOM 966 NH1 ARG A 68 -4.060 -5.665 3.264 1.00 0.00 N ATOM 967 NH2 ARG A 68 -5.111 -5.991 1.251 1.00 0.00 N ATOM 0 H ARG A 68 -1.428 -3.530 1.944 1.00 0.00 H new ATOM 0 HA ARG A 68 0.922 -4.621 2.605 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -0.691 -4.530 0.090 1.00 0.00 H new ATOM 0 HB3 ARG A 68 0.932 -5.173 -0.055 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -0.647 -6.986 0.348 1.00 0.00 H new ATOM 0 HG3 ARG A 68 0.448 -6.838 1.709 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -1.543 -6.969 2.862 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -1.459 -5.231 2.657 1.00 0.00 H new ATOM 0 HE ARG A 68 -2.810 -6.412 0.401 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -3.206 -5.633 3.821 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -4.962 -5.477 3.701 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -5.067 -6.210 0.256 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -6.011 -5.803 1.693 1.00 0.00 H new ATOM 981 N VAL A 69 2.748 -2.990 2.106 1.00 0.00 N ATOM 982 CA VAL A 69 3.932 -2.218 1.745 1.00 0.00 C ATOM 983 C VAL A 69 4.803 -2.980 0.753 1.00 0.00 C ATOM 984 O VAL A 69 5.133 -4.146 0.967 1.00 0.00 O ATOM 985 CB VAL A 69 4.774 -1.868 2.987 1.00 0.00 C ATOM 986 CG1 VAL A 69 5.840 -0.841 2.637 1.00 0.00 C ATOM 987 CG2 VAL A 69 3.881 -1.361 4.110 1.00 0.00 C ATOM 0 H VAL A 69 2.741 -3.325 3.069 1.00 0.00 H new ATOM 0 HA VAL A 69 3.580 -1.296 1.282 1.00 0.00 H new ATOM 0 HB VAL A 69 5.275 -2.773 3.332 1.00 0.00 H new ATOM 0 HG11 VAL A 69 6.425 -0.606 3.526 1.00 0.00 H new ATOM 0 HG12 VAL A 69 6.497 -1.246 1.867 1.00 0.00 H new ATOM 0 HG13 VAL A 69 5.363 0.066 2.266 1.00 0.00 H new ATOM 0 HG21 VAL A 69 4.492 -1.119 4.979 1.00 0.00 H new ATOM 0 HG22 VAL A 69 3.351 -0.468 3.778 1.00 0.00 H new ATOM 0 HG23 VAL A 69 3.159 -2.133 4.378 1.00 0.00 H new ATOM 997 N VAL A 70 5.173 -2.312 -0.335 1.00 0.00 N ATOM 998 CA VAL A 70 6.007 -2.925 -1.362 1.00 0.00 C ATOM 999 C VAL A 70 7.403 -2.311 -1.374 1.00 0.00 C ATOM 1000 O VAL A 70 8.405 -3.024 -1.328 1.00 0.00 O ATOM 1001 CB VAL A 70 5.380 -2.772 -2.760 1.00 0.00 C ATOM 1002 CG1 VAL A 70 6.148 -3.596 -3.783 1.00 0.00 C ATOM 1003 CG2 VAL A 70 3.913 -3.175 -2.732 1.00 0.00 C ATOM 0 H VAL A 70 4.908 -1.346 -0.528 1.00 0.00 H new ATOM 0 HA VAL A 70 6.080 -3.985 -1.119 1.00 0.00 H new ATOM 0 HB VAL A 70 5.440 -1.724 -3.054 1.00 0.00 H new ATOM 0 HG11 VAL A 70 5.690 -3.475 -4.765 1.00 0.00 H new ATOM 0 HG12 VAL A 70 7.183 -3.256 -3.821 1.00 0.00 H new ATOM 0 HG13 VAL A 70 6.122 -4.648 -3.497 1.00 0.00 H new ATOM 0 HG21 VAL A 70 3.485 -3.061 -3.728 1.00 0.00 H new ATOM 0 HG22 VAL A 70 3.827 -4.215 -2.417 1.00 0.00 H new ATOM 0 HG23 VAL A 70 3.374 -2.538 -2.031 1.00 0.00 H new ATOM 1013 N MET A 71 7.460 -0.985 -1.436 1.00 0.00 N ATOM 1014 CA MET A 71 8.734 -0.275 -1.452 1.00 0.00 C ATOM 1015 C MET A 71 8.701 0.922 -0.507 1.00 0.00 C ATOM 1016 O MET A 71 7.636 1.466 -0.215 1.00 0.00 O ATOM 1017 CB MET A 71 9.065 0.189 -2.871 1.00 0.00 C ATOM 1018 CG MET A 71 10.150 1.253 -2.925 1.00 0.00 C ATOM 1019 SD MET A 71 10.928 1.371 -4.547 1.00 0.00 S ATOM 1020 CE MET A 71 12.029 -0.041 -4.498 1.00 0.00 C ATOM 0 H MET A 71 6.639 -0.380 -1.476 1.00 0.00 H new ATOM 0 HA MET A 71 9.509 -0.962 -1.112 1.00 0.00 H new ATOM 0 HB2 MET A 71 9.381 -0.671 -3.461 1.00 0.00 H new ATOM 0 HB3 MET A 71 8.161 0.580 -3.337 1.00 0.00 H new ATOM 0 HG2 MET A 71 9.719 2.219 -2.662 1.00 0.00 H new ATOM 0 HG3 MET A 71 10.911 1.029 -2.177 1.00 0.00 H new ATOM 0 HE1 MET A 71 13.060 0.298 -4.599 1.00 0.00 H new ATOM 0 HE2 MET A 71 11.910 -0.563 -3.548 1.00 0.00 H new ATOM 0 HE3 MET A 71 11.788 -0.719 -5.317 1.00 0.00 H new ATOM 1030 N VAL A 72 9.875 1.327 -0.032 1.00 0.00 N ATOM 1031 CA VAL A 72 9.980 2.461 0.880 1.00 0.00 C ATOM 1032 C VAL A 72 11.276 3.231 0.651 1.00 0.00 C ATOM 1033 O VAL A 72 12.354 2.777 1.032 1.00 0.00 O ATOM 1034 CB VAL A 72 9.918 2.006 2.350 1.00 0.00 C ATOM 1035 CG1 VAL A 72 10.082 3.196 3.284 1.00 0.00 C ATOM 1036 CG2 VAL A 72 8.612 1.276 2.627 1.00 0.00 C ATOM 0 H VAL A 72 10.766 0.887 -0.263 1.00 0.00 H new ATOM 0 HA VAL A 72 9.132 3.114 0.674 1.00 0.00 H new ATOM 0 HB VAL A 72 10.740 1.314 2.534 1.00 0.00 H new ATOM 0 HG11 VAL A 72 10.036 2.856 4.318 1.00 0.00 H new ATOM 0 HG12 VAL A 72 11.046 3.672 3.101 1.00 0.00 H new ATOM 0 HG13 VAL A 72 9.282 3.914 3.102 1.00 0.00 H new ATOM 0 HG21 VAL A 72 8.585 0.962 3.670 1.00 0.00 H new ATOM 0 HG22 VAL A 72 7.773 1.943 2.427 1.00 0.00 H new ATOM 0 HG23 VAL A 72 8.541 0.400 1.982 1.00 0.00 H new ATOM 1046 N ASN A 73 11.161 4.399 0.028 1.00 0.00 N ATOM 1047 CA ASN A 73 12.324 5.233 -0.252 1.00 0.00 C ATOM 1048 C ASN A 73 13.312 4.504 -1.158 1.00 0.00 C ATOM 1049 O ASN A 73 14.508 4.792 -1.149 1.00 0.00 O ATOM 1050 CB ASN A 73 13.014 5.636 1.053 1.00 0.00 C ATOM 1051 CG ASN A 73 12.377 6.855 1.692 1.00 0.00 C ATOM 1052 OD1 ASN A 73 11.644 7.599 1.040 1.00 0.00 O ATOM 1053 ND2 ASN A 73 12.654 7.065 2.973 1.00 0.00 N ATOM 0 H ASN A 73 10.275 4.789 -0.292 1.00 0.00 H new ATOM 0 HA ASN A 73 11.981 6.130 -0.767 1.00 0.00 H new ATOM 0 HB2 ASN A 73 12.977 4.801 1.753 1.00 0.00 H new ATOM 0 HB3 ASN A 73 14.066 5.841 0.856 1.00 0.00 H new ATOM 0 HD21 ASN A 73 12.254 7.869 3.456 1.00 0.00 H new ATOM 0 HD22 ASN A 73 13.267 6.422 3.474 1.00 0.00 H new ATOM 1060 N GLY A 74 12.802 3.558 -1.940 1.00 0.00 N ATOM 1061 CA GLY A 74 13.652 2.802 -2.842 1.00 0.00 C ATOM 1062 C GLY A 74 14.160 1.517 -2.219 1.00 0.00 C ATOM 1063 O GLY A 74 15.249 1.046 -2.548 1.00 0.00 O ATOM 0 H GLY A 74 11.815 3.301 -1.965 1.00 0.00 H new ATOM 0 HA2 GLY A 74 13.096 2.567 -3.749 1.00 0.00 H new ATOM 0 HA3 GLY A 74 14.500 3.418 -3.139 1.00 0.00 H new ATOM 1067 N THR A 75 13.370 0.947 -1.314 1.00 0.00 N ATOM 1068 CA THR A 75 13.747 -0.290 -0.641 1.00 0.00 C ATOM 1069 C THR A 75 12.584 -1.274 -0.608 1.00 0.00 C ATOM 1070 O THR A 75 11.482 -0.956 -0.159 1.00 0.00 O ATOM 1071 CB THR A 75 14.220 -0.023 0.801 1.00 0.00 C ATOM 1072 OG1 THR A 75 15.293 0.925 0.797 1.00 0.00 O ATOM 1073 CG2 THR A 75 14.679 -1.312 1.467 1.00 0.00 C ATOM 0 H THR A 75 12.465 1.322 -1.030 1.00 0.00 H new ATOM 0 HA THR A 75 14.569 -0.722 -1.211 1.00 0.00 H new ATOM 0 HB THR A 75 13.380 0.381 1.366 1.00 0.00 H new ATOM 0 HG1 THR A 75 15.062 1.683 1.374 1.00 0.00 H new ATOM 0 HG21 THR A 75 15.008 -1.099 2.484 1.00 0.00 H new ATOM 0 HG22 THR A 75 13.852 -2.022 1.495 1.00 0.00 H new ATOM 0 HG23 THR A 75 15.506 -1.740 0.900 1.00 0.00 H new ATOM 1081 N PRO A 76 12.831 -2.500 -1.093 1.00 0.00 N ATOM 1082 CA PRO A 76 11.816 -3.557 -1.128 1.00 0.00 C ATOM 1083 C PRO A 76 11.466 -4.071 0.264 1.00 0.00 C ATOM 1084 O PRO A 76 12.327 -4.577 0.983 1.00 0.00 O ATOM 1085 CB PRO A 76 12.481 -4.660 -1.954 1.00 0.00 C ATOM 1086 CG PRO A 76 13.944 -4.436 -1.778 1.00 0.00 C ATOM 1087 CD PRO A 76 14.121 -2.949 -1.643 1.00 0.00 C ATOM 0 HA PRO A 76 10.873 -3.203 -1.545 1.00 0.00 H new ATOM 0 HB2 PRO A 76 12.187 -5.649 -1.603 1.00 0.00 H new ATOM 0 HB3 PRO A 76 12.194 -4.596 -3.004 1.00 0.00 H new ATOM 0 HG2 PRO A 76 14.315 -4.955 -0.894 1.00 0.00 H new ATOM 0 HG3 PRO A 76 14.503 -4.820 -2.631 1.00 0.00 H new ATOM 0 HD2 PRO A 76 14.949 -2.702 -0.979 1.00 0.00 H new ATOM 0 HD3 PRO A 76 14.333 -2.481 -2.604 1.00 0.00 H new ATOM 1095 N MET A 77 10.197 -3.939 0.637 1.00 0.00 N ATOM 1096 CA MET A 77 9.734 -4.392 1.943 1.00 0.00 C ATOM 1097 C MET A 77 9.100 -5.776 1.845 1.00 0.00 C ATOM 1098 O MET A 77 8.394 -6.211 2.754 1.00 0.00 O ATOM 1099 CB MET A 77 8.727 -3.398 2.525 1.00 0.00 C ATOM 1100 CG MET A 77 9.164 -1.947 2.398 1.00 0.00 C ATOM 1101 SD MET A 77 10.193 -1.409 3.777 1.00 0.00 S ATOM 1102 CE MET A 77 11.825 -1.530 3.049 1.00 0.00 C ATOM 0 H MET A 77 9.472 -3.522 0.053 1.00 0.00 H new ATOM 0 HA MET A 77 10.598 -4.453 2.605 1.00 0.00 H new ATOM 0 HB2 MET A 77 7.769 -3.526 2.021 1.00 0.00 H new ATOM 0 HB3 MET A 77 8.567 -3.630 3.578 1.00 0.00 H new ATOM 0 HG2 MET A 77 9.715 -1.818 1.466 1.00 0.00 H new ATOM 0 HG3 MET A 77 8.282 -1.310 2.338 1.00 0.00 H new ATOM 0 HE1 MET A 77 12.580 -1.403 3.825 1.00 0.00 H new ATOM 0 HE2 MET A 77 11.944 -2.508 2.584 1.00 0.00 H new ATOM 0 HE3 MET A 77 11.945 -0.752 2.295 1.00 0.00 H new ATOM 1112 N GLU A 78 9.355 -6.462 0.735 1.00 0.00 N ATOM 1113 CA GLU A 78 8.808 -7.796 0.519 1.00 0.00 C ATOM 1114 C GLU A 78 9.736 -8.864 1.089 1.00 0.00 C ATOM 1115 O GLU A 78 10.915 -8.929 0.739 1.00 0.00 O ATOM 1116 CB GLU A 78 8.584 -8.044 -0.974 1.00 0.00 C ATOM 1117 CG GLU A 78 9.820 -7.798 -1.824 1.00 0.00 C ATOM 1118 CD GLU A 78 9.651 -8.280 -3.252 1.00 0.00 C ATOM 1119 OE1 GLU A 78 8.734 -7.783 -3.940 1.00 0.00 O ATOM 1120 OE2 GLU A 78 10.434 -9.153 -3.681 1.00 0.00 O ATOM 0 H GLU A 78 9.937 -6.116 -0.028 1.00 0.00 H new ATOM 0 HA GLU A 78 7.851 -7.856 1.038 1.00 0.00 H new ATOM 0 HB2 GLU A 78 8.254 -9.073 -1.117 1.00 0.00 H new ATOM 0 HB3 GLU A 78 7.778 -7.399 -1.324 1.00 0.00 H new ATOM 0 HG2 GLU A 78 10.047 -6.732 -1.829 1.00 0.00 H new ATOM 0 HG3 GLU A 78 10.674 -8.304 -1.372 1.00 0.00 H new ATOM 1127 N ASP A 79 9.196 -9.700 1.969 1.00 0.00 N ATOM 1128 CA ASP A 79 9.975 -10.766 2.589 1.00 0.00 C ATOM 1129 C ASP A 79 11.142 -10.193 3.387 1.00 0.00 C ATOM 1130 O ASP A 79 12.255 -10.717 3.342 1.00 0.00 O ATOM 1131 CB ASP A 79 10.496 -11.732 1.523 1.00 0.00 C ATOM 1132 CG ASP A 79 10.660 -13.143 2.051 1.00 0.00 C ATOM 1133 OD1 ASP A 79 11.748 -13.457 2.580 1.00 0.00 O ATOM 1134 OD2 ASP A 79 9.701 -13.934 1.937 1.00 0.00 O ATOM 0 H ASP A 79 8.222 -9.660 2.269 1.00 0.00 H new ATOM 0 HA ASP A 79 9.322 -11.309 3.273 1.00 0.00 H new ATOM 0 HB2 ASP A 79 9.808 -11.741 0.678 1.00 0.00 H new ATOM 0 HB3 ASP A 79 11.455 -11.373 1.149 1.00 0.00 H new ATOM 1139 N VAL A 80 10.879 -9.114 4.117 1.00 0.00 N ATOM 1140 CA VAL A 80 11.907 -8.469 4.926 1.00 0.00 C ATOM 1141 C VAL A 80 11.553 -8.521 6.408 1.00 0.00 C ATOM 1142 O VAL A 80 10.400 -8.751 6.774 1.00 0.00 O ATOM 1143 CB VAL A 80 12.111 -7.001 4.509 1.00 0.00 C ATOM 1144 CG1 VAL A 80 12.464 -6.909 3.032 1.00 0.00 C ATOM 1145 CG2 VAL A 80 10.868 -6.182 4.820 1.00 0.00 C ATOM 0 H VAL A 80 9.963 -8.668 4.165 1.00 0.00 H new ATOM 0 HA VAL A 80 12.833 -9.018 4.757 1.00 0.00 H new ATOM 0 HB VAL A 80 12.942 -6.591 5.083 1.00 0.00 H new ATOM 0 HG11 VAL A 80 12.604 -5.864 2.756 1.00 0.00 H new ATOM 0 HG12 VAL A 80 13.385 -7.461 2.843 1.00 0.00 H new ATOM 0 HG13 VAL A 80 11.656 -7.336 2.438 1.00 0.00 H new ATOM 0 HG21 VAL A 80 11.030 -5.147 4.519 1.00 0.00 H new ATOM 0 HG22 VAL A 80 10.017 -6.590 4.274 1.00 0.00 H new ATOM 0 HG23 VAL A 80 10.665 -6.221 5.890 1.00 0.00 H new ATOM 1155 N LEU A 81 12.551 -8.305 7.257 1.00 0.00 N ATOM 1156 CA LEU A 81 12.346 -8.325 8.701 1.00 0.00 C ATOM 1157 C LEU A 81 11.635 -7.059 9.168 1.00 0.00 C ATOM 1158 O LEU A 81 11.897 -5.966 8.665 1.00 0.00 O ATOM 1159 CB LEU A 81 13.686 -8.468 9.425 1.00 0.00 C ATOM 1160 CG LEU A 81 14.326 -9.857 9.384 1.00 0.00 C ATOM 1161 CD1 LEU A 81 15.639 -9.861 10.150 1.00 0.00 C ATOM 1162 CD2 LEU A 81 13.373 -10.900 9.949 1.00 0.00 C ATOM 0 H LEU A 81 13.511 -8.114 6.970 1.00 0.00 H new ATOM 0 HA LEU A 81 11.717 -9.182 8.942 1.00 0.00 H new ATOM 0 HB2 LEU A 81 14.387 -7.754 8.994 1.00 0.00 H new ATOM 0 HB3 LEU A 81 13.545 -8.186 10.468 1.00 0.00 H new ATOM 0 HG LEU A 81 14.534 -10.110 8.345 1.00 0.00 H new ATOM 0 HD11 LEU A 81 16.080 -10.857 10.110 1.00 0.00 H new ATOM 0 HD12 LEU A 81 16.324 -9.142 9.701 1.00 0.00 H new ATOM 0 HD13 LEU A 81 15.455 -9.587 11.189 1.00 0.00 H new ATOM 0 HD21 LEU A 81 13.845 -11.882 9.912 1.00 0.00 H new ATOM 0 HD22 LEU A 81 13.133 -10.651 10.983 1.00 0.00 H new ATOM 0 HD23 LEU A 81 12.458 -10.915 9.358 1.00 0.00 H new ATOM 1174 N HIS A 82 10.736 -7.213 10.135 1.00 0.00 N ATOM 1175 CA HIS A 82 9.990 -6.081 10.673 1.00 0.00 C ATOM 1176 C HIS A 82 10.916 -4.900 10.946 1.00 0.00 C ATOM 1177 O HIS A 82 10.575 -3.752 10.660 1.00 0.00 O ATOM 1178 CB HIS A 82 9.266 -6.484 11.958 1.00 0.00 C ATOM 1179 CG HIS A 82 8.834 -5.319 12.793 1.00 0.00 C ATOM 1180 ND1 HIS A 82 9.554 -4.337 13.383 1.00 0.00 N flip ATOM 1181 CD2 HIS A 82 7.515 -5.064 13.105 1.00 0.00 C flip ATOM 1182 CE1 HIS A 82 8.667 -3.515 14.033 1.00 0.00 C flip ATOM 1183 NE2 HIS A 82 7.443 -3.976 13.850 1.00 0.00 N flip ATOM 0 H HIS A 82 10.507 -8.110 10.562 1.00 0.00 H new ATOM 0 HA HIS A 82 9.253 -5.778 9.930 1.00 0.00 H new ATOM 0 HB2 HIS A 82 8.391 -7.080 11.700 1.00 0.00 H new ATOM 0 HB3 HIS A 82 9.922 -7.121 12.550 1.00 0.00 H new ATOM 0 HD2 HIS A 82 6.672 -5.661 12.789 1.00 0.00 H new ATOM 0 HE1 HIS A 82 8.928 -2.635 14.602 1.00 0.00 H new ATOM 0 HE2 HIS A 82 6.588 -3.562 14.221 1.00 0.00 H new ATOM 1192 N SER A 83 12.088 -5.189 11.502 1.00 0.00 N ATOM 1193 CA SER A 83 13.062 -4.151 11.818 1.00 0.00 C ATOM 1194 C SER A 83 13.569 -3.477 10.547 1.00 0.00 C ATOM 1195 O SER A 83 13.819 -2.271 10.527 1.00 0.00 O ATOM 1196 CB SER A 83 14.236 -4.744 12.599 1.00 0.00 C ATOM 1197 OG SER A 83 15.011 -5.602 11.780 1.00 0.00 O ATOM 0 H SER A 83 12.386 -6.134 11.743 1.00 0.00 H new ATOM 0 HA SER A 83 12.569 -3.399 12.434 1.00 0.00 H new ATOM 0 HB2 SER A 83 14.863 -3.940 12.985 1.00 0.00 H new ATOM 0 HB3 SER A 83 13.862 -5.298 13.460 1.00 0.00 H new ATOM 0 HG SER A 83 15.756 -5.967 12.302 1.00 0.00 H new ATOM 1203 N PHE A 84 13.719 -4.264 9.487 1.00 0.00 N ATOM 1204 CA PHE A 84 14.198 -3.745 8.211 1.00 0.00 C ATOM 1205 C PHE A 84 13.209 -2.741 7.627 1.00 0.00 C ATOM 1206 O PHE A 84 13.604 -1.731 7.046 1.00 0.00 O ATOM 1207 CB PHE A 84 14.423 -4.891 7.223 1.00 0.00 C ATOM 1208 CG PHE A 84 14.985 -4.443 5.904 1.00 0.00 C ATOM 1209 CD1 PHE A 84 16.350 -4.271 5.739 1.00 0.00 C ATOM 1210 CD2 PHE A 84 14.147 -4.194 4.828 1.00 0.00 C ATOM 1211 CE1 PHE A 84 16.870 -3.859 4.527 1.00 0.00 C ATOM 1212 CE2 PHE A 84 14.662 -3.783 3.613 1.00 0.00 C ATOM 1213 CZ PHE A 84 16.024 -3.614 3.462 1.00 0.00 C ATOM 0 H PHE A 84 13.516 -5.264 9.486 1.00 0.00 H new ATOM 0 HA PHE A 84 15.145 -3.235 8.387 1.00 0.00 H new ATOM 0 HB2 PHE A 84 15.101 -5.618 7.670 1.00 0.00 H new ATOM 0 HB3 PHE A 84 13.476 -5.403 7.051 1.00 0.00 H new ATOM 0 HD1 PHE A 84 17.016 -4.461 6.568 1.00 0.00 H new ATOM 0 HD2 PHE A 84 13.081 -4.323 4.940 1.00 0.00 H new ATOM 0 HE1 PHE A 84 17.936 -3.729 4.412 1.00 0.00 H new ATOM 0 HE2 PHE A 84 13.999 -3.594 2.782 1.00 0.00 H new ATOM 0 HZ PHE A 84 16.427 -3.291 2.514 1.00 0.00 H new ATOM 1223 N ALA A 85 11.921 -3.028 7.785 1.00 0.00 N ATOM 1224 CA ALA A 85 10.875 -2.151 7.275 1.00 0.00 C ATOM 1225 C ALA A 85 10.897 -0.800 7.983 1.00 0.00 C ATOM 1226 O ALA A 85 10.897 0.249 7.340 1.00 0.00 O ATOM 1227 CB ALA A 85 9.512 -2.808 7.431 1.00 0.00 C ATOM 0 H ALA A 85 11.577 -3.861 8.262 1.00 0.00 H new ATOM 0 HA ALA A 85 11.064 -1.980 6.215 1.00 0.00 H new ATOM 0 HB1 ALA A 85 8.740 -2.141 7.046 1.00 0.00 H new ATOM 0 HB2 ALA A 85 9.494 -3.745 6.874 1.00 0.00 H new ATOM 0 HB3 ALA A 85 9.324 -3.010 8.486 1.00 0.00 H new ATOM 1233 N VAL A 86 10.915 -0.835 9.312 1.00 0.00 N ATOM 1234 CA VAL A 86 10.938 0.387 10.108 1.00 0.00 C ATOM 1235 C VAL A 86 12.236 1.158 9.895 1.00 0.00 C ATOM 1236 O VAL A 86 12.230 2.384 9.792 1.00 0.00 O ATOM 1237 CB VAL A 86 10.776 0.082 11.609 1.00 0.00 C ATOM 1238 CG1 VAL A 86 11.734 -1.019 12.037 1.00 0.00 C ATOM 1239 CG2 VAL A 86 10.994 1.340 12.435 1.00 0.00 C ATOM 0 H VAL A 86 10.914 -1.695 9.860 1.00 0.00 H new ATOM 0 HA VAL A 86 10.098 0.997 9.775 1.00 0.00 H new ATOM 0 HB VAL A 86 9.758 -0.267 11.783 1.00 0.00 H new ATOM 0 HG11 VAL A 86 11.605 -1.221 13.100 1.00 0.00 H new ATOM 0 HG12 VAL A 86 11.525 -1.925 11.468 1.00 0.00 H new ATOM 0 HG13 VAL A 86 12.760 -0.702 11.850 1.00 0.00 H new ATOM 0 HG21 VAL A 86 10.876 1.106 13.493 1.00 0.00 H new ATOM 0 HG22 VAL A 86 12.000 1.722 12.258 1.00 0.00 H new ATOM 0 HG23 VAL A 86 10.263 2.096 12.147 1.00 0.00 H new ATOM 1249 N GLN A 87 13.346 0.430 9.829 1.00 0.00 N ATOM 1250 CA GLN A 87 14.652 1.046 9.628 1.00 0.00 C ATOM 1251 C GLN A 87 14.560 2.210 8.646 1.00 0.00 C ATOM 1252 O GLN A 87 14.898 3.345 8.982 1.00 0.00 O ATOM 1253 CB GLN A 87 15.655 0.010 9.117 1.00 0.00 C ATOM 1254 CG GLN A 87 17.095 0.319 9.495 1.00 0.00 C ATOM 1255 CD GLN A 87 17.510 -0.339 10.796 1.00 0.00 C ATOM 1256 OE1 GLN A 87 16.781 -0.297 11.787 1.00 0.00 O ATOM 1257 NE2 GLN A 87 18.687 -0.953 10.799 1.00 0.00 N ATOM 0 H GLN A 87 13.367 -0.586 9.912 1.00 0.00 H new ATOM 0 HA GLN A 87 14.996 1.431 10.588 1.00 0.00 H new ATOM 0 HB2 GLN A 87 15.386 -0.969 9.513 1.00 0.00 H new ATOM 0 HB3 GLN A 87 15.579 -0.053 8.032 1.00 0.00 H new ATOM 0 HG2 GLN A 87 17.756 -0.016 8.696 1.00 0.00 H new ATOM 0 HG3 GLN A 87 17.220 1.398 9.582 1.00 0.00 H new ATOM 0 HE21 GLN A 87 19.259 -0.963 9.955 1.00 0.00 H new ATOM 0 HE22 GLN A 87 19.019 -1.415 11.646 1.00 0.00 H new ATOM 1266 N GLN A 88 14.100 1.919 7.433 1.00 0.00 N ATOM 1267 CA GLN A 88 13.965 2.942 6.403 1.00 0.00 C ATOM 1268 C GLN A 88 13.222 4.161 6.941 1.00 0.00 C ATOM 1269 O GLN A 88 13.565 5.301 6.623 1.00 0.00 O ATOM 1270 CB GLN A 88 13.229 2.377 5.187 1.00 0.00 C ATOM 1271 CG GLN A 88 13.891 1.143 4.595 1.00 0.00 C ATOM 1272 CD GLN A 88 15.132 1.475 3.791 1.00 0.00 C ATOM 1273 OE1 GLN A 88 15.094 2.306 2.883 1.00 0.00 O ATOM 1274 NE2 GLN A 88 16.243 0.826 4.120 1.00 0.00 N ATOM 0 H GLN A 88 13.815 0.984 7.140 1.00 0.00 H new ATOM 0 HA GLN A 88 14.965 3.253 6.101 1.00 0.00 H new ATOM 0 HB2 GLN A 88 12.207 2.129 5.474 1.00 0.00 H new ATOM 0 HB3 GLN A 88 13.166 3.149 4.420 1.00 0.00 H new ATOM 0 HG2 GLN A 88 14.157 0.457 5.399 1.00 0.00 H new ATOM 0 HG3 GLN A 88 13.177 0.624 3.956 1.00 0.00 H new ATOM 0 HE21 GLN A 88 16.230 0.145 4.879 1.00 0.00 H new ATOM 0 HE22 GLN A 88 17.109 1.008 3.613 1.00 0.00 H new ATOM 1283 N LEU A 89 12.203 3.914 7.756 1.00 0.00 N ATOM 1284 CA LEU A 89 11.410 4.992 8.338 1.00 0.00 C ATOM 1285 C LEU A 89 12.269 5.875 9.237 1.00 0.00 C ATOM 1286 O LEU A 89 12.270 7.099 9.103 1.00 0.00 O ATOM 1287 CB LEU A 89 10.240 4.416 9.137 1.00 0.00 C ATOM 1288 CG LEU A 89 9.427 3.323 8.444 1.00 0.00 C ATOM 1289 CD1 LEU A 89 8.213 2.948 9.281 1.00 0.00 C ATOM 1290 CD2 LEU A 89 9.000 3.775 7.055 1.00 0.00 C ATOM 0 H LEU A 89 11.906 2.977 8.029 1.00 0.00 H new ATOM 0 HA LEU A 89 11.020 5.604 7.524 1.00 0.00 H new ATOM 0 HB2 LEU A 89 10.628 4.014 10.073 1.00 0.00 H new ATOM 0 HB3 LEU A 89 9.566 5.233 9.396 1.00 0.00 H new ATOM 0 HG LEU A 89 10.057 2.440 8.339 1.00 0.00 H new ATOM 0 HD11 LEU A 89 7.646 2.169 8.771 1.00 0.00 H new ATOM 0 HD12 LEU A 89 8.541 2.581 10.254 1.00 0.00 H new ATOM 0 HD13 LEU A 89 7.581 3.825 9.418 1.00 0.00 H new ATOM 0 HD21 LEU A 89 8.422 2.984 6.577 1.00 0.00 H new ATOM 0 HD22 LEU A 89 8.388 4.673 7.137 1.00 0.00 H new ATOM 0 HD23 LEU A 89 9.884 3.992 6.455 1.00 0.00 H new ATOM 1302 N ARG A 90 13.001 5.247 10.151 1.00 0.00 N ATOM 1303 CA ARG A 90 13.866 5.976 11.071 1.00 0.00 C ATOM 1304 C ARG A 90 15.028 6.625 10.326 1.00 0.00 C ATOM 1305 O ARG A 90 15.571 7.640 10.763 1.00 0.00 O ATOM 1306 CB ARG A 90 14.401 5.037 12.153 1.00 0.00 C ATOM 1307 CG ARG A 90 14.999 3.752 11.604 1.00 0.00 C ATOM 1308 CD ARG A 90 15.606 2.902 12.710 1.00 0.00 C ATOM 1309 NE ARG A 90 16.677 3.603 13.414 1.00 0.00 N ATOM 1310 CZ ARG A 90 16.468 4.436 14.427 1.00 0.00 C ATOM 1311 NH1 ARG A 90 15.235 4.670 14.854 1.00 0.00 N ATOM 1312 NH2 ARG A 90 17.494 5.036 15.017 1.00 0.00 N ATOM 0 H ARG A 90 13.012 4.235 10.274 1.00 0.00 H new ATOM 0 HA ARG A 90 13.274 6.762 11.541 1.00 0.00 H new ATOM 0 HB2 ARG A 90 15.160 5.561 12.734 1.00 0.00 H new ATOM 0 HB3 ARG A 90 13.591 4.787 12.838 1.00 0.00 H new ATOM 0 HG2 ARG A 90 14.227 3.182 11.088 1.00 0.00 H new ATOM 0 HG3 ARG A 90 15.765 3.992 10.866 1.00 0.00 H new ATOM 0 HD2 ARG A 90 14.828 2.622 13.420 1.00 0.00 H new ATOM 0 HD3 ARG A 90 15.996 1.978 12.284 1.00 0.00 H new ATOM 0 HE ARG A 90 17.638 3.444 13.111 1.00 0.00 H new ATOM 0 HH11 ARG A 90 14.444 4.210 14.404 1.00 0.00 H new ATOM 0 HH12 ARG A 90 15.078 5.310 15.632 1.00 0.00 H new ATOM 0 HH21 ARG A 90 18.444 4.858 14.693 1.00 0.00 H new ATOM 0 HH22 ARG A 90 17.332 5.676 15.795 1.00 0.00 H new ATOM 1326 N LYS A 91 15.406 6.033 9.198 1.00 0.00 N ATOM 1327 CA LYS A 91 16.503 6.552 8.390 1.00 0.00 C ATOM 1328 C LYS A 91 16.072 7.800 7.625 1.00 0.00 C ATOM 1329 O LYS A 91 16.839 8.753 7.490 1.00 0.00 O ATOM 1330 CB LYS A 91 16.993 5.484 7.410 1.00 0.00 C ATOM 1331 CG LYS A 91 17.727 4.335 8.080 1.00 0.00 C ATOM 1332 CD LYS A 91 17.861 3.141 7.150 1.00 0.00 C ATOM 1333 CE LYS A 91 19.093 3.260 6.265 1.00 0.00 C ATOM 1334 NZ LYS A 91 18.787 3.943 4.978 1.00 0.00 N ATOM 0 H LYS A 91 14.968 5.192 8.822 1.00 0.00 H new ATOM 0 HA LYS A 91 17.319 6.822 9.061 1.00 0.00 H new ATOM 0 HB2 LYS A 91 16.139 5.088 6.861 1.00 0.00 H new ATOM 0 HB3 LYS A 91 17.654 5.949 6.679 1.00 0.00 H new ATOM 0 HG2 LYS A 91 18.717 4.667 8.392 1.00 0.00 H new ATOM 0 HG3 LYS A 91 17.192 4.037 8.982 1.00 0.00 H new ATOM 0 HD2 LYS A 91 17.921 2.225 7.738 1.00 0.00 H new ATOM 0 HD3 LYS A 91 16.970 3.062 6.527 1.00 0.00 H new ATOM 0 HE2 LYS A 91 19.868 3.813 6.795 1.00 0.00 H new ATOM 0 HE3 LYS A 91 19.492 2.266 6.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 19.443 3.609 4.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 17.810 3.727 4.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 18.893 4.971 5.097 1.00 0.00 H new ATOM 1348 N SER A 92 14.840 7.787 7.127 1.00 0.00 N ATOM 1349 CA SER A 92 14.308 8.916 6.374 1.00 0.00 C ATOM 1350 C SER A 92 14.318 10.186 7.219 1.00 0.00 C ATOM 1351 O SER A 92 13.646 10.267 8.246 1.00 0.00 O ATOM 1352 CB SER A 92 12.884 8.616 5.901 1.00 0.00 C ATOM 1353 OG SER A 92 12.545 9.402 4.772 1.00 0.00 O ATOM 0 H SER A 92 14.191 7.007 7.232 1.00 0.00 H new ATOM 0 HA SER A 92 14.946 9.074 5.505 1.00 0.00 H new ATOM 0 HB2 SER A 92 12.796 7.559 5.652 1.00 0.00 H new ATOM 0 HB3 SER A 92 12.180 8.813 6.710 1.00 0.00 H new ATOM 0 HG SER A 92 12.232 10.282 5.068 1.00 0.00 H new ATOM 1359 N GLY A 93 15.086 11.178 6.777 1.00 0.00 N ATOM 1360 CA GLY A 93 15.170 12.431 7.504 1.00 0.00 C ATOM 1361 C GLY A 93 13.839 12.847 8.098 1.00 0.00 C ATOM 1362 O GLY A 93 13.584 12.631 9.283 1.00 0.00 O ATOM 0 H GLY A 93 15.651 11.136 5.929 1.00 0.00 H new ATOM 0 HA2 GLY A 93 15.907 12.336 8.302 1.00 0.00 H new ATOM 0 HA3 GLY A 93 15.526 13.213 6.834 1.00 0.00 H new ATOM 1366 N LYS A 94 12.987 13.448 7.274 1.00 0.00 N ATOM 1367 CA LYS A 94 11.674 13.896 7.723 1.00 0.00 C ATOM 1368 C LYS A 94 10.588 13.467 6.743 1.00 0.00 C ATOM 1369 O LYS A 94 9.452 13.203 7.138 1.00 0.00 O ATOM 1370 CB LYS A 94 11.660 15.418 7.883 1.00 0.00 C ATOM 1371 CG LYS A 94 10.286 15.984 8.195 1.00 0.00 C ATOM 1372 CD LYS A 94 10.382 17.285 8.975 1.00 0.00 C ATOM 1373 CE LYS A 94 9.099 18.095 8.869 1.00 0.00 C ATOM 1374 NZ LYS A 94 8.048 17.594 9.798 1.00 0.00 N ATOM 0 H LYS A 94 13.183 13.636 6.291 1.00 0.00 H new ATOM 0 HA LYS A 94 11.470 13.433 8.688 1.00 0.00 H new ATOM 0 HB2 LYS A 94 12.348 15.697 8.681 1.00 0.00 H new ATOM 0 HB3 LYS A 94 12.032 15.875 6.966 1.00 0.00 H new ATOM 0 HG2 LYS A 94 9.743 16.155 7.266 1.00 0.00 H new ATOM 0 HG3 LYS A 94 9.714 15.256 8.770 1.00 0.00 H new ATOM 0 HD2 LYS A 94 10.591 17.068 10.023 1.00 0.00 H new ATOM 0 HD3 LYS A 94 11.218 17.875 8.599 1.00 0.00 H new ATOM 0 HE2 LYS A 94 9.311 19.141 9.090 1.00 0.00 H new ATOM 0 HE3 LYS A 94 8.728 18.055 7.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 7.190 17.362 9.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 8.392 16.742 10.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 7.827 18.328 10.501 1.00 0.00 H new ATOM 1388 N ILE A 95 10.944 13.398 5.465 1.00 0.00 N ATOM 1389 CA ILE A 95 9.999 12.998 4.430 1.00 0.00 C ATOM 1390 C ILE A 95 10.368 11.639 3.844 1.00 0.00 C ATOM 1391 O ILE A 95 11.499 11.426 3.408 1.00 0.00 O ATOM 1392 CB ILE A 95 9.937 14.035 3.293 1.00 0.00 C ATOM 1393 CG1 ILE A 95 9.757 15.442 3.866 1.00 0.00 C ATOM 1394 CG2 ILE A 95 8.806 13.700 2.332 1.00 0.00 C ATOM 1395 CD1 ILE A 95 8.439 15.639 4.582 1.00 0.00 C ATOM 0 H ILE A 95 11.880 13.614 5.121 1.00 0.00 H new ATOM 0 HA ILE A 95 9.020 12.933 4.905 1.00 0.00 H new ATOM 0 HB ILE A 95 10.877 14.005 2.742 1.00 0.00 H new ATOM 0 HG12 ILE A 95 10.572 15.650 4.559 1.00 0.00 H new ATOM 0 HG13 ILE A 95 9.833 16.168 3.056 1.00 0.00 H new ATOM 0 HG21 ILE A 95 8.775 14.442 1.534 1.00 0.00 H new ATOM 0 HG22 ILE A 95 8.974 12.712 1.903 1.00 0.00 H new ATOM 0 HG23 ILE A 95 7.858 13.706 2.870 1.00 0.00 H new ATOM 0 HD11 ILE A 95 8.380 16.659 4.962 1.00 0.00 H new ATOM 0 HD12 ILE A 95 7.618 15.463 3.887 1.00 0.00 H new ATOM 0 HD13 ILE A 95 8.368 14.937 5.413 1.00 0.00 H new ATOM 1407 N ALA A 96 9.405 10.723 3.835 1.00 0.00 N ATOM 1408 CA ALA A 96 9.627 9.386 3.299 1.00 0.00 C ATOM 1409 C ALA A 96 8.598 9.047 2.226 1.00 0.00 C ATOM 1410 O ALA A 96 7.483 9.568 2.235 1.00 0.00 O ATOM 1411 CB ALA A 96 9.586 8.356 4.417 1.00 0.00 C ATOM 0 H ALA A 96 8.463 10.883 4.193 1.00 0.00 H new ATOM 0 HA ALA A 96 10.614 9.366 2.837 1.00 0.00 H new ATOM 0 HB1 ALA A 96 9.753 7.362 4.002 1.00 0.00 H new ATOM 0 HB2 ALA A 96 10.364 8.580 5.147 1.00 0.00 H new ATOM 0 HB3 ALA A 96 8.611 8.387 4.904 1.00 0.00 H new ATOM 1417 N ALA A 97 8.980 8.172 1.302 1.00 0.00 N ATOM 1418 CA ALA A 97 8.090 7.762 0.223 1.00 0.00 C ATOM 1419 C ALA A 97 7.784 6.270 0.300 1.00 0.00 C ATOM 1420 O ALA A 97 8.676 5.435 0.146 1.00 0.00 O ATOM 1421 CB ALA A 97 8.701 8.108 -1.127 1.00 0.00 C ATOM 0 H ALA A 97 9.900 7.733 1.279 1.00 0.00 H new ATOM 0 HA ALA A 97 7.152 8.305 0.334 1.00 0.00 H new ATOM 0 HB1 ALA A 97 8.025 7.796 -1.923 1.00 0.00 H new ATOM 0 HB2 ALA A 97 8.862 9.184 -1.189 1.00 0.00 H new ATOM 0 HB3 ALA A 97 9.655 7.592 -1.238 1.00 0.00 H new ATOM 1427 N ILE A 98 6.519 5.942 0.540 1.00 0.00 N ATOM 1428 CA ILE A 98 6.096 4.550 0.636 1.00 0.00 C ATOM 1429 C ILE A 98 5.141 4.186 -0.495 1.00 0.00 C ATOM 1430 O ILE A 98 4.251 4.961 -0.844 1.00 0.00 O ATOM 1431 CB ILE A 98 5.411 4.262 1.985 1.00 0.00 C ATOM 1432 CG1 ILE A 98 6.306 4.711 3.143 1.00 0.00 C ATOM 1433 CG2 ILE A 98 5.081 2.782 2.107 1.00 0.00 C ATOM 1434 CD1 ILE A 98 5.593 4.752 4.476 1.00 0.00 C ATOM 0 H ILE A 98 5.769 6.621 0.672 1.00 0.00 H new ATOM 0 HA ILE A 98 6.996 3.940 0.558 1.00 0.00 H new ATOM 0 HB ILE A 98 4.480 4.827 2.030 1.00 0.00 H new ATOM 0 HG12 ILE A 98 7.158 4.035 3.216 1.00 0.00 H new ATOM 0 HG13 ILE A 98 6.703 5.702 2.922 1.00 0.00 H new ATOM 0 HG21 ILE A 98 4.597 2.595 3.066 1.00 0.00 H new ATOM 0 HG22 ILE A 98 4.410 2.491 1.299 1.00 0.00 H new ATOM 0 HG23 ILE A 98 5.999 2.198 2.044 1.00 0.00 H new ATOM 0 HD11 ILE A 98 6.287 5.078 5.250 1.00 0.00 H new ATOM 0 HD12 ILE A 98 4.757 5.450 4.420 1.00 0.00 H new ATOM 0 HD13 ILE A 98 5.219 3.757 4.720 1.00 0.00 H new ATOM 1446 N VAL A 99 5.330 2.999 -1.063 1.00 0.00 N ATOM 1447 CA VAL A 99 4.483 2.529 -2.153 1.00 0.00 C ATOM 1448 C VAL A 99 3.714 1.276 -1.750 1.00 0.00 C ATOM 1449 O VAL A 99 4.252 0.169 -1.774 1.00 0.00 O ATOM 1450 CB VAL A 99 5.311 2.226 -3.416 1.00 0.00 C ATOM 1451 CG1 VAL A 99 4.397 1.900 -4.588 1.00 0.00 C ATOM 1452 CG2 VAL A 99 6.221 3.399 -3.749 1.00 0.00 C ATOM 0 H VAL A 99 6.062 2.345 -0.786 1.00 0.00 H new ATOM 0 HA VAL A 99 3.777 3.330 -2.374 1.00 0.00 H new ATOM 0 HB VAL A 99 5.936 1.355 -3.220 1.00 0.00 H new ATOM 0 HG11 VAL A 99 4.999 1.689 -5.471 1.00 0.00 H new ATOM 0 HG12 VAL A 99 3.791 1.027 -4.345 1.00 0.00 H new ATOM 0 HG13 VAL A 99 3.745 2.750 -4.788 1.00 0.00 H new ATOM 0 HG21 VAL A 99 6.799 3.168 -4.644 1.00 0.00 H new ATOM 0 HG22 VAL A 99 5.617 4.289 -3.926 1.00 0.00 H new ATOM 0 HG23 VAL A 99 6.900 3.581 -2.916 1.00 0.00 H new ATOM 1462 N VAL A 100 2.450 1.457 -1.380 1.00 0.00 N ATOM 1463 CA VAL A 100 1.605 0.341 -0.973 1.00 0.00 C ATOM 1464 C VAL A 100 0.588 -0.001 -2.056 1.00 0.00 C ATOM 1465 O VAL A 100 0.290 0.819 -2.925 1.00 0.00 O ATOM 1466 CB VAL A 100 0.858 0.651 0.337 1.00 0.00 C ATOM 1467 CG1 VAL A 100 1.821 1.182 1.388 1.00 0.00 C ATOM 1468 CG2 VAL A 100 -0.269 1.642 0.087 1.00 0.00 C ATOM 0 H VAL A 100 1.989 2.366 -1.354 1.00 0.00 H new ATOM 0 HA VAL A 100 2.263 -0.513 -0.814 1.00 0.00 H new ATOM 0 HB VAL A 100 0.421 -0.274 0.712 1.00 0.00 H new ATOM 0 HG11 VAL A 100 1.275 1.396 2.307 1.00 0.00 H new ATOM 0 HG12 VAL A 100 2.590 0.435 1.588 1.00 0.00 H new ATOM 0 HG13 VAL A 100 2.289 2.096 1.024 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -0.786 1.849 1.024 1.00 0.00 H new ATOM 0 HG22 VAL A 100 0.143 2.569 -0.313 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -0.973 1.219 -0.630 1.00 0.00 H new ATOM 1478 N LYS A 101 0.056 -1.217 -1.998 1.00 0.00 N ATOM 1479 CA LYS A 101 -0.930 -1.669 -2.972 1.00 0.00 C ATOM 1480 C LYS A 101 -2.209 -2.129 -2.279 1.00 0.00 C ATOM 1481 O LYS A 101 -2.160 -2.792 -1.243 1.00 0.00 O ATOM 1482 CB LYS A 101 -0.357 -2.810 -3.817 1.00 0.00 C ATOM 1483 CG LYS A 101 0.032 -4.032 -3.004 1.00 0.00 C ATOM 1484 CD LYS A 101 0.508 -5.167 -3.896 1.00 0.00 C ATOM 1485 CE LYS A 101 0.418 -6.509 -3.186 1.00 0.00 C ATOM 1486 NZ LYS A 101 1.031 -7.603 -3.989 1.00 0.00 N ATOM 0 H LYS A 101 0.292 -1.908 -1.286 1.00 0.00 H new ATOM 0 HA LYS A 101 -1.172 -0.829 -3.623 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -1.093 -3.102 -4.566 1.00 0.00 H new ATOM 0 HB3 LYS A 101 0.519 -2.448 -4.355 1.00 0.00 H new ATOM 0 HG2 LYS A 101 0.821 -3.766 -2.300 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -0.822 -4.365 -2.415 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -0.093 -5.194 -4.805 1.00 0.00 H new ATOM 0 HD3 LYS A 101 1.538 -4.984 -4.201 1.00 0.00 H new ATOM 0 HE2 LYS A 101 0.919 -6.443 -2.220 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -0.627 -6.746 -2.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 0.950 -8.501 -3.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 0.537 -7.683 -4.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 2.035 -7.390 -4.157 1.00 0.00 H new ATOM 1500 N ARG A 102 -3.351 -1.773 -2.858 1.00 0.00 N ATOM 1501 CA ARG A 102 -4.642 -2.149 -2.296 1.00 0.00 C ATOM 1502 C ARG A 102 -5.456 -2.961 -3.299 1.00 0.00 C ATOM 1503 O ARG A 102 -5.492 -2.662 -4.493 1.00 0.00 O ATOM 1504 CB ARG A 102 -5.423 -0.902 -1.879 1.00 0.00 C ATOM 1505 CG ARG A 102 -4.777 -0.131 -0.739 1.00 0.00 C ATOM 1506 CD ARG A 102 -5.157 1.341 -0.776 1.00 0.00 C ATOM 1507 NE ARG A 102 -4.103 2.192 -0.231 1.00 0.00 N ATOM 1508 CZ ARG A 102 -3.730 2.174 1.044 1.00 0.00 C ATOM 1509 NH1 ARG A 102 -4.323 1.353 1.900 1.00 0.00 N ATOM 1510 NH2 ARG A 102 -2.762 2.979 1.465 1.00 0.00 N ATOM 0 H ARG A 102 -3.408 -1.225 -3.716 1.00 0.00 H new ATOM 0 HA ARG A 102 -4.461 -2.767 -1.416 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -5.525 -0.242 -2.741 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -6.430 -1.196 -1.583 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -5.084 -0.563 0.214 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -3.693 -0.230 -0.800 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -5.365 1.636 -1.804 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -6.075 1.493 -0.209 1.00 0.00 H new ATOM 0 HE ARG A 102 -3.627 2.835 -0.864 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -5.067 0.733 1.580 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -4.035 1.341 2.878 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -2.304 3.612 0.809 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -2.476 2.964 2.444 1.00 0.00 H new ATOM 1524 N PRO A 103 -6.126 -4.013 -2.805 1.00 0.00 N ATOM 1525 CA PRO A 103 -6.952 -4.889 -3.641 1.00 0.00 C ATOM 1526 C PRO A 103 -8.215 -4.194 -4.138 1.00 0.00 C ATOM 1527 O PRO A 103 -9.096 -3.849 -3.350 1.00 0.00 O ATOM 1528 CB PRO A 103 -7.311 -6.042 -2.700 1.00 0.00 C ATOM 1529 CG PRO A 103 -7.224 -5.456 -1.333 1.00 0.00 C ATOM 1530 CD PRO A 103 -6.129 -4.428 -1.392 1.00 0.00 C ATOM 0 HA PRO A 103 -6.428 -5.204 -4.543 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -8.312 -6.423 -2.904 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -6.621 -6.878 -2.817 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -8.171 -5.001 -1.042 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -6.999 -6.224 -0.593 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -6.330 -3.588 -0.727 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -5.168 -4.847 -1.094 1.00 0.00 H new