USER MOD reduce.3.24.130724 H: found=0, std=0, add=718, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 720 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 85 LYS NZ :NH3+ 178:sc= 1.2 (180deg=0) USER MOD Set 1.2: A 87 THR OG1 : rot 160:sc= 1.08 USER MOD Set 2.1: A 49 TYR OH : rot -96:sc= 0.102 USER MOD Set 2.2: A 70 GLN : amide:sc= 0.0996 K(o=0.2,f=-0.76) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -1.15 K(o=-1.2,f=-2.3!) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= -2.85! C(o=-2.8!,f=-6.7!) USER MOD Single : A 34 LYS NZ :NH3+ 154:sc= -0.0933 (180deg=-0.583) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -0.0129 X(o=-0.013,f=-0.44) USER MOD Single : A 52 ASN :FLIP amide:sc= -2.09 F(o=-4.2!,f=-2.1) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 HIS :FLIP no HD1:sc= -1.22 F(o=-2.3!,f=-1.2) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 HIS : no HD1:sc= -0.0651 X(o=-0.065,f=-0.065) USER MOD Single : A 69 LYS NZ :NH3+ -165:sc=-0.00987 (180deg=-0.15) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 ASN :FLIP amide:sc= -0.723 F(o=-3.5!,f=-0.72) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -0.0367 X(o=-0.037,f=0) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot -163:sc= 0.9 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 131:sc= 0.389 USER MOD Single : A 92 ASN : amide:sc= -0.891 K(o=-0.89,f=-1.8) USER MOD Single : A 100 ASN : amide:sc= -3.31! C(o=-3.3!,f=-11!) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 118 N VAL A 11 -20.153 2.335 8.336 1.00 0.00 N ATOM 119 CA VAL A 11 -19.943 2.404 6.894 1.00 0.00 C ATOM 120 C VAL A 11 -19.646 1.026 6.315 1.00 0.00 C ATOM 121 O VAL A 11 -19.396 0.071 7.051 1.00 0.00 O ATOM 122 CB VAL A 11 -18.785 3.357 6.542 1.00 0.00 C ATOM 123 CG1 VAL A 11 -19.026 4.735 7.139 1.00 0.00 C ATOM 124 CG2 VAL A 11 -17.459 2.784 7.020 1.00 0.00 C ATOM 0 HA VAL A 11 -20.865 2.787 6.457 1.00 0.00 H new ATOM 0 HB VAL A 11 -18.740 3.460 5.458 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -18.197 5.394 6.880 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -19.954 5.146 6.742 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -19.099 4.654 8.224 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -16.652 3.470 6.763 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -17.490 2.649 8.101 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -17.284 1.822 6.539 1.00 0.00 H new ATOM 134 N LYS A 12 -19.675 0.928 4.990 1.00 0.00 N ATOM 135 CA LYS A 12 -19.408 -0.333 4.309 1.00 0.00 C ATOM 136 C LYS A 12 -17.957 -0.759 4.504 1.00 0.00 C ATOM 137 O LYS A 12 -17.034 0.014 4.249 1.00 0.00 O ATOM 138 CB LYS A 12 -19.718 -0.206 2.816 1.00 0.00 C ATOM 139 CG LYS A 12 -21.134 -0.616 2.451 1.00 0.00 C ATOM 140 CD LYS A 12 -21.214 -2.091 2.098 1.00 0.00 C ATOM 141 CE LYS A 12 -21.021 -2.319 0.607 1.00 0.00 C ATOM 142 NZ LYS A 12 -21.126 -3.760 0.247 1.00 0.00 N ATOM 0 H LYS A 12 -19.881 1.708 4.366 1.00 0.00 H new ATOM 0 HA LYS A 12 -20.054 -1.096 4.743 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -19.557 0.827 2.507 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -19.015 -0.821 2.254 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -21.802 -0.404 3.286 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -21.480 -0.020 1.607 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -20.453 -2.641 2.653 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -22.182 -2.488 2.405 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -21.769 -1.751 0.053 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -20.045 -1.940 0.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -20.989 -3.873 -0.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -20.396 -4.299 0.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -22.067 -4.116 0.511 1.00 0.00 H new ATOM 156 N GLU A 13 -17.763 -1.995 4.955 1.00 0.00 N ATOM 157 CA GLU A 13 -16.422 -2.523 5.183 1.00 0.00 C ATOM 158 C GLU A 13 -15.827 -3.072 3.889 1.00 0.00 C ATOM 159 O GLU A 13 -16.462 -3.858 3.185 1.00 0.00 O ATOM 160 CB GLU A 13 -16.457 -3.620 6.248 1.00 0.00 C ATOM 161 CG GLU A 13 -16.331 -3.095 7.668 1.00 0.00 C ATOM 162 CD GLU A 13 -14.892 -3.030 8.141 1.00 0.00 C ATOM 163 OE1 GLU A 13 -14.130 -3.977 7.857 1.00 0.00 O ATOM 164 OE2 GLU A 13 -14.528 -2.030 8.795 1.00 0.00 O ATOM 0 H GLU A 13 -18.516 -2.649 5.169 1.00 0.00 H new ATOM 0 HA GLU A 13 -15.791 -1.706 5.534 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -17.391 -4.174 6.156 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -15.648 -4.325 6.057 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -16.773 -2.100 7.724 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -16.902 -3.736 8.340 1.00 0.00 H new ATOM 171 N LEU A 14 -14.605 -2.652 3.582 1.00 0.00 N ATOM 172 CA LEU A 14 -13.923 -3.101 2.373 1.00 0.00 C ATOM 173 C LEU A 14 -12.632 -3.836 2.718 1.00 0.00 C ATOM 174 O LEU A 14 -11.916 -3.457 3.645 1.00 0.00 O ATOM 175 CB LEU A 14 -13.618 -1.909 1.464 1.00 0.00 C ATOM 176 CG LEU A 14 -14.779 -0.950 1.203 1.00 0.00 C ATOM 177 CD1 LEU A 14 -14.292 0.290 0.469 1.00 0.00 C ATOM 178 CD2 LEU A 14 -15.877 -1.644 0.409 1.00 0.00 C ATOM 0 H LEU A 14 -14.066 -2.001 4.153 1.00 0.00 H new ATOM 0 HA LEU A 14 -14.583 -3.791 1.847 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -12.797 -1.343 1.904 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -13.265 -2.290 0.506 1.00 0.00 H new ATOM 0 HG LEU A 14 -15.192 -0.641 2.163 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -15.132 0.961 0.292 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -13.542 0.800 1.074 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -13.853 -0.001 -0.485 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -16.695 -0.946 0.233 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -15.477 -1.982 -0.547 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -16.246 -2.501 0.972 1.00 0.00 H new ATOM 190 N THR A 15 -12.337 -4.891 1.963 1.00 0.00 N ATOM 191 CA THR A 15 -11.132 -5.679 2.187 1.00 0.00 C ATOM 192 C THR A 15 -9.958 -5.128 1.386 1.00 0.00 C ATOM 193 O THR A 15 -9.739 -5.518 0.239 1.00 0.00 O ATOM 194 CB THR A 15 -11.349 -7.156 1.809 1.00 0.00 C ATOM 195 OG1 THR A 15 -12.386 -7.722 2.619 1.00 0.00 O ATOM 196 CG2 THR A 15 -10.066 -7.954 1.989 1.00 0.00 C ATOM 0 H THR A 15 -12.917 -5.219 1.191 1.00 0.00 H new ATOM 0 HA THR A 15 -10.905 -5.614 3.251 1.00 0.00 H new ATOM 0 HB THR A 15 -11.643 -7.201 0.760 1.00 0.00 H new ATOM 0 HG1 THR A 15 -12.519 -8.661 2.371 1.00 0.00 H new ATOM 0 HG21 THR A 15 -10.243 -8.994 1.716 1.00 0.00 H new ATOM 0 HG22 THR A 15 -9.287 -7.539 1.350 1.00 0.00 H new ATOM 0 HG23 THR A 15 -9.748 -7.901 3.030 1.00 0.00 H new ATOM 204 N VAL A 16 -9.205 -4.219 1.997 1.00 0.00 N ATOM 205 CA VAL A 16 -8.051 -3.615 1.341 1.00 0.00 C ATOM 206 C VAL A 16 -6.794 -4.447 1.566 1.00 0.00 C ATOM 207 O VAL A 16 -6.219 -4.441 2.654 1.00 0.00 O ATOM 208 CB VAL A 16 -7.803 -2.182 1.848 1.00 0.00 C ATOM 209 CG1 VAL A 16 -6.555 -1.597 1.204 1.00 0.00 C ATOM 210 CG2 VAL A 16 -9.015 -1.304 1.577 1.00 0.00 C ATOM 0 H VAL A 16 -9.373 -3.884 2.946 1.00 0.00 H new ATOM 0 HA VAL A 16 -8.275 -3.581 0.275 1.00 0.00 H new ATOM 0 HB VAL A 16 -7.644 -2.218 2.926 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -6.395 -0.584 1.574 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -5.693 -2.215 1.454 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -6.682 -1.572 0.122 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -8.822 -0.295 1.942 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -9.208 -1.272 0.505 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -9.884 -1.715 2.090 1.00 0.00 H new ATOM 220 N SER A 17 -6.371 -5.163 0.528 1.00 0.00 N ATOM 221 CA SER A 17 -5.182 -6.003 0.613 1.00 0.00 C ATOM 222 C SER A 17 -4.179 -5.638 -0.476 1.00 0.00 C ATOM 223 O SER A 17 -4.546 -5.454 -1.637 1.00 0.00 O ATOM 224 CB SER A 17 -5.566 -7.480 0.494 1.00 0.00 C ATOM 225 OG SER A 17 -4.576 -8.312 1.071 1.00 0.00 O ATOM 0 H SER A 17 -6.834 -5.178 -0.381 1.00 0.00 H new ATOM 0 HA SER A 17 -4.716 -5.832 1.583 1.00 0.00 H new ATOM 0 HB2 SER A 17 -6.522 -7.651 0.988 1.00 0.00 H new ATOM 0 HB3 SER A 17 -5.698 -7.741 -0.556 1.00 0.00 H new ATOM 0 HG SER A 17 -4.846 -9.250 0.984 1.00 0.00 H new ATOM 231 N ALA A 18 -2.911 -5.533 -0.093 1.00 0.00 N ATOM 232 CA ALA A 18 -1.853 -5.191 -1.037 1.00 0.00 C ATOM 233 C ALA A 18 -1.375 -6.424 -1.796 1.00 0.00 C ATOM 234 O ALA A 18 -1.084 -6.357 -2.989 1.00 0.00 O ATOM 235 CB ALA A 18 -0.690 -4.532 -0.310 1.00 0.00 C ATOM 0 H ALA A 18 -2.591 -5.680 0.864 1.00 0.00 H new ATOM 0 HA ALA A 18 -2.260 -4.486 -1.762 1.00 0.00 H new ATOM 0 HB1 ALA A 18 0.092 -4.282 -1.027 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -1.036 -3.623 0.181 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -0.292 -5.219 0.437 1.00 0.00 H new ATOM 241 N GLY A 19 -1.295 -7.551 -1.095 1.00 0.00 N ATOM 242 CA GLY A 19 -0.850 -8.784 -1.719 1.00 0.00 C ATOM 243 C GLY A 19 -0.090 -9.678 -0.760 1.00 0.00 C ATOM 244 O GLY A 19 -0.619 -10.685 -0.288 1.00 0.00 O ATOM 0 H GLY A 19 -1.530 -7.632 -0.106 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -1.714 -9.324 -2.107 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -0.214 -8.547 -2.572 1.00 0.00 H new ATOM 248 N ASP A 20 1.154 -9.312 -0.472 1.00 0.00 N ATOM 249 CA ASP A 20 1.989 -10.089 0.436 1.00 0.00 C ATOM 250 C ASP A 20 3.319 -9.386 0.688 1.00 0.00 C ATOM 251 O ASP A 20 3.668 -8.431 -0.005 1.00 0.00 O ATOM 252 CB ASP A 20 2.236 -11.487 -0.134 1.00 0.00 C ATOM 253 CG ASP A 20 2.569 -12.501 0.943 1.00 0.00 C ATOM 254 OD1 ASP A 20 1.804 -12.595 1.926 1.00 0.00 O ATOM 255 OD2 ASP A 20 3.595 -13.200 0.804 1.00 0.00 O ATOM 0 H ASP A 20 1.606 -8.482 -0.854 1.00 0.00 H new ATOM 0 HA ASP A 20 1.462 -10.181 1.386 1.00 0.00 H new ATOM 0 HB2 ASP A 20 1.350 -11.816 -0.678 1.00 0.00 H new ATOM 0 HB3 ASP A 20 3.054 -11.444 -0.853 1.00 0.00 H new ATOM 260 N ASN A 21 4.056 -9.865 1.685 1.00 0.00 N ATOM 261 CA ASN A 21 5.348 -9.281 2.029 1.00 0.00 C ATOM 262 C ASN A 21 6.304 -9.336 0.841 1.00 0.00 C ATOM 263 O ASN A 21 6.399 -10.353 0.154 1.00 0.00 O ATOM 264 CB ASN A 21 5.960 -10.013 3.225 1.00 0.00 C ATOM 265 CG ASN A 21 6.192 -11.485 2.944 1.00 0.00 C ATOM 266 OD1 ASN A 21 6.964 -11.845 2.055 1.00 0.00 O ATOM 267 ND2 ASN A 21 5.523 -12.345 3.703 1.00 0.00 N ATOM 0 H ASN A 21 3.781 -10.655 2.269 1.00 0.00 H new ATOM 0 HA ASN A 21 5.187 -8.236 2.295 1.00 0.00 H new ATOM 0 HB2 ASN A 21 6.907 -9.543 3.490 1.00 0.00 H new ATOM 0 HB3 ASN A 21 5.301 -9.910 4.087 1.00 0.00 H new ATOM 0 HD21 ASN A 21 5.639 -13.348 3.560 1.00 0.00 H new ATOM 0 HD22 ASN A 21 4.893 -12.002 4.429 1.00 0.00 H new ATOM 274 N LEU A 22 7.009 -8.235 0.605 1.00 0.00 N ATOM 275 CA LEU A 22 7.959 -8.158 -0.499 1.00 0.00 C ATOM 276 C LEU A 22 9.386 -8.003 0.019 1.00 0.00 C ATOM 277 O LEU A 22 9.621 -7.338 1.028 1.00 0.00 O ATOM 278 CB LEU A 22 7.609 -6.985 -1.418 1.00 0.00 C ATOM 279 CG LEU A 22 6.162 -6.926 -1.908 1.00 0.00 C ATOM 280 CD1 LEU A 22 5.669 -8.315 -2.285 1.00 0.00 C ATOM 281 CD2 LEU A 22 5.263 -6.309 -0.846 1.00 0.00 C ATOM 0 H LEU A 22 6.941 -7.384 1.163 1.00 0.00 H new ATOM 0 HA LEU A 22 7.896 -9.088 -1.065 1.00 0.00 H new ATOM 0 HB2 LEU A 22 7.831 -6.057 -0.891 1.00 0.00 H new ATOM 0 HB3 LEU A 22 8.265 -7.022 -2.288 1.00 0.00 H new ATOM 0 HG LEU A 22 6.125 -6.296 -2.797 1.00 0.00 H new ATOM 0 HD11 LEU A 22 4.637 -8.253 -2.631 1.00 0.00 H new ATOM 0 HD12 LEU A 22 6.295 -8.720 -3.080 1.00 0.00 H new ATOM 0 HD13 LEU A 22 5.721 -8.968 -1.414 1.00 0.00 H new ATOM 0 HD21 LEU A 22 4.237 -6.275 -1.213 1.00 0.00 H new ATOM 0 HD22 LEU A 22 5.305 -6.912 0.061 1.00 0.00 H new ATOM 0 HD23 LEU A 22 5.603 -5.297 -0.625 1.00 0.00 H new ATOM 293 N ILE A 23 10.333 -8.621 -0.679 1.00 0.00 N ATOM 294 CA ILE A 23 11.736 -8.549 -0.291 1.00 0.00 C ATOM 295 C ILE A 23 12.622 -8.222 -1.489 1.00 0.00 C ATOM 296 O ILE A 23 12.556 -8.887 -2.522 1.00 0.00 O ATOM 297 CB ILE A 23 12.214 -9.870 0.340 1.00 0.00 C ATOM 298 CG1 ILE A 23 11.339 -10.232 1.542 1.00 0.00 C ATOM 299 CG2 ILE A 23 13.674 -9.762 0.755 1.00 0.00 C ATOM 300 CD1 ILE A 23 11.684 -11.569 2.160 1.00 0.00 C ATOM 0 H ILE A 23 10.154 -9.177 -1.515 1.00 0.00 H new ATOM 0 HA ILE A 23 11.818 -7.752 0.448 1.00 0.00 H new ATOM 0 HB ILE A 23 12.126 -10.663 -0.403 1.00 0.00 H new ATOM 0 HG12 ILE A 23 11.437 -9.455 2.300 1.00 0.00 H new ATOM 0 HG13 ILE A 23 10.295 -10.244 1.230 1.00 0.00 H new ATOM 0 HG21 ILE A 23 13.997 -10.704 1.199 1.00 0.00 H new ATOM 0 HG22 ILE A 23 14.286 -9.545 -0.121 1.00 0.00 H new ATOM 0 HG23 ILE A 23 13.787 -8.960 1.484 1.00 0.00 H new ATOM 0 HD11 ILE A 23 11.024 -11.760 3.006 1.00 0.00 H new ATOM 0 HD12 ILE A 23 11.558 -12.357 1.417 1.00 0.00 H new ATOM 0 HD13 ILE A 23 12.719 -11.555 2.503 1.00 0.00 H new ATOM 312 N ILE A 24 13.450 -7.193 -1.341 1.00 0.00 N ATOM 313 CA ILE A 24 14.351 -6.780 -2.410 1.00 0.00 C ATOM 314 C ILE A 24 15.807 -6.857 -1.962 1.00 0.00 C ATOM 315 O ILE A 24 16.100 -6.881 -0.766 1.00 0.00 O ATOM 316 CB ILE A 24 14.046 -5.345 -2.880 1.00 0.00 C ATOM 317 CG1 ILE A 24 13.479 -4.517 -1.725 1.00 0.00 C ATOM 318 CG2 ILE A 24 13.074 -5.367 -4.050 1.00 0.00 C ATOM 319 CD1 ILE A 24 13.196 -3.078 -2.096 1.00 0.00 C ATOM 0 H ILE A 24 13.515 -6.631 -0.492 1.00 0.00 H new ATOM 0 HA ILE A 24 14.192 -7.468 -3.241 1.00 0.00 H new ATOM 0 HB ILE A 24 14.975 -4.882 -3.213 1.00 0.00 H new ATOM 0 HG12 ILE A 24 12.558 -4.981 -1.374 1.00 0.00 H new ATOM 0 HG13 ILE A 24 14.183 -4.538 -0.893 1.00 0.00 H new ATOM 0 HG21 ILE A 24 12.868 -4.346 -4.371 1.00 0.00 H new ATOM 0 HG22 ILE A 24 13.512 -5.926 -4.877 1.00 0.00 H new ATOM 0 HG23 ILE A 24 12.144 -5.845 -3.742 1.00 0.00 H new ATOM 0 HD11 ILE A 24 12.796 -2.551 -1.230 1.00 0.00 H new ATOM 0 HD12 ILE A 24 14.119 -2.597 -2.419 1.00 0.00 H new ATOM 0 HD13 ILE A 24 12.468 -3.048 -2.907 1.00 0.00 H new ATOM 331 N THR A 25 16.717 -6.894 -2.930 1.00 0.00 N ATOM 332 CA THR A 25 18.143 -6.967 -2.637 1.00 0.00 C ATOM 333 C THR A 25 18.911 -5.870 -3.364 1.00 0.00 C ATOM 334 O THR A 25 18.630 -5.565 -4.524 1.00 0.00 O ATOM 335 CB THR A 25 18.728 -8.336 -3.032 1.00 0.00 C ATOM 336 OG1 THR A 25 17.960 -9.388 -2.436 1.00 0.00 O ATOM 337 CG2 THR A 25 20.180 -8.451 -2.595 1.00 0.00 C ATOM 0 H THR A 25 16.492 -6.875 -3.925 1.00 0.00 H new ATOM 0 HA THR A 25 18.252 -6.830 -1.561 1.00 0.00 H new ATOM 0 HB THR A 25 18.684 -8.425 -4.117 1.00 0.00 H new ATOM 0 HG1 THR A 25 18.338 -10.255 -2.694 1.00 0.00 H new ATOM 0 HG21 THR A 25 20.571 -9.426 -2.885 1.00 0.00 H new ATOM 0 HG22 THR A 25 20.767 -7.668 -3.074 1.00 0.00 H new ATOM 0 HG23 THR A 25 20.244 -8.342 -1.512 1.00 0.00 H new ATOM 345 N LEU A 26 19.882 -5.279 -2.676 1.00 0.00 N ATOM 346 CA LEU A 26 20.693 -4.215 -3.258 1.00 0.00 C ATOM 347 C LEU A 26 21.436 -4.710 -4.494 1.00 0.00 C ATOM 348 O LEU A 26 21.682 -5.904 -4.665 1.00 0.00 O ATOM 349 CB LEU A 26 21.691 -3.686 -2.226 1.00 0.00 C ATOM 350 CG LEU A 26 21.132 -2.711 -1.189 1.00 0.00 C ATOM 351 CD1 LEU A 26 22.233 -2.239 -0.253 1.00 0.00 C ATOM 352 CD2 LEU A 26 20.468 -1.526 -1.875 1.00 0.00 C ATOM 0 H LEU A 26 20.127 -5.518 -1.715 1.00 0.00 H new ATOM 0 HA LEU A 26 20.027 -3.406 -3.558 1.00 0.00 H new ATOM 0 HB2 LEU A 26 22.123 -4.537 -1.699 1.00 0.00 H new ATOM 0 HB3 LEU A 26 22.505 -3.193 -2.757 1.00 0.00 H new ATOM 0 HG LEU A 26 20.379 -3.232 -0.597 1.00 0.00 H new ATOM 0 HD11 LEU A 26 21.817 -1.546 0.478 1.00 0.00 H new ATOM 0 HD12 LEU A 26 22.663 -3.097 0.264 1.00 0.00 H new ATOM 0 HD13 LEU A 26 23.009 -1.736 -0.829 1.00 0.00 H new ATOM 0 HD21 LEU A 26 20.076 -0.842 -1.122 1.00 0.00 H new ATOM 0 HD22 LEU A 26 21.201 -1.005 -2.491 1.00 0.00 H new ATOM 0 HD23 LEU A 26 19.651 -1.880 -2.504 1.00 0.00 H new ATOM 364 N PRO A 27 21.806 -3.771 -5.378 1.00 0.00 N ATOM 365 CA PRO A 27 21.518 -2.346 -5.187 1.00 0.00 C ATOM 366 C PRO A 27 20.033 -2.031 -5.324 1.00 0.00 C ATOM 367 O PRO A 27 19.549 -1.032 -4.793 1.00 0.00 O ATOM 368 CB PRO A 27 22.314 -1.670 -6.306 1.00 0.00 C ATOM 369 CG PRO A 27 22.448 -2.714 -7.360 1.00 0.00 C ATOM 370 CD PRO A 27 22.532 -4.028 -6.633 1.00 0.00 C ATOM 0 HA PRO A 27 21.789 -2.006 -4.187 1.00 0.00 H new ATOM 0 HB2 PRO A 27 21.795 -0.790 -6.685 1.00 0.00 H new ATOM 0 HB3 PRO A 27 23.290 -1.337 -5.952 1.00 0.00 H new ATOM 0 HG2 PRO A 27 21.594 -2.697 -8.037 1.00 0.00 H new ATOM 0 HG3 PRO A 27 23.339 -2.545 -7.965 1.00 0.00 H new ATOM 0 HD2 PRO A 27 22.072 -4.834 -7.205 1.00 0.00 H new ATOM 0 HD3 PRO A 27 23.566 -4.319 -6.447 1.00 0.00 H new ATOM 378 N ASP A 28 19.315 -2.889 -6.040 1.00 0.00 N ATOM 379 CA ASP A 28 17.883 -2.703 -6.246 1.00 0.00 C ATOM 380 C ASP A 28 17.191 -2.321 -4.942 1.00 0.00 C ATOM 381 O ASP A 28 16.954 -3.169 -4.082 1.00 0.00 O ATOM 382 CB ASP A 28 17.258 -3.977 -6.816 1.00 0.00 C ATOM 383 CG ASP A 28 17.353 -4.043 -8.327 1.00 0.00 C ATOM 384 OD1 ASP A 28 18.429 -4.419 -8.838 1.00 0.00 O ATOM 385 OD2 ASP A 28 16.352 -3.719 -9.000 1.00 0.00 O ATOM 0 H ASP A 28 19.701 -3.720 -6.488 1.00 0.00 H new ATOM 0 HA ASP A 28 17.747 -1.890 -6.960 1.00 0.00 H new ATOM 0 HB2 ASP A 28 17.755 -4.846 -6.385 1.00 0.00 H new ATOM 0 HB3 ASP A 28 16.211 -4.029 -6.518 1.00 0.00 H new ATOM 390 N ASN A 29 16.872 -1.039 -4.800 1.00 0.00 N ATOM 391 CA ASN A 29 16.209 -0.544 -3.599 1.00 0.00 C ATOM 392 C ASN A 29 14.853 0.068 -3.939 1.00 0.00 C ATOM 393 O ASN A 29 14.386 0.981 -3.260 1.00 0.00 O ATOM 394 CB ASN A 29 17.087 0.493 -2.897 1.00 0.00 C ATOM 395 CG ASN A 29 17.377 1.695 -3.775 1.00 0.00 C ATOM 396 OD1 ASN A 29 16.557 2.081 -4.609 1.00 0.00 O ATOM 397 ND2 ASN A 29 18.548 2.293 -3.591 1.00 0.00 N ATOM 0 H ASN A 29 17.062 -0.324 -5.502 1.00 0.00 H new ATOM 0 HA ASN A 29 16.049 -1.388 -2.929 1.00 0.00 H new ATOM 0 HB2 ASN A 29 16.593 0.824 -1.984 1.00 0.00 H new ATOM 0 HB3 ASN A 29 18.027 0.028 -2.600 1.00 0.00 H new ATOM 0 HD21 ASN A 29 18.799 3.107 -4.152 1.00 0.00 H new ATOM 0 HD22 ASN A 29 19.197 1.939 -2.888 1.00 0.00 H new ATOM 404 N GLU A 30 14.226 -0.444 -4.994 1.00 0.00 N ATOM 405 CA GLU A 30 12.924 0.052 -5.423 1.00 0.00 C ATOM 406 C GLU A 30 11.881 -1.062 -5.397 1.00 0.00 C ATOM 407 O GLU A 30 12.190 -2.223 -5.664 1.00 0.00 O ATOM 408 CB GLU A 30 13.018 0.644 -6.831 1.00 0.00 C ATOM 409 CG GLU A 30 14.198 1.583 -7.019 1.00 0.00 C ATOM 410 CD GLU A 30 14.236 2.203 -8.402 1.00 0.00 C ATOM 411 OE1 GLU A 30 14.615 1.497 -9.359 1.00 0.00 O ATOM 412 OE2 GLU A 30 13.885 3.395 -8.527 1.00 0.00 O ATOM 0 H GLU A 30 14.599 -1.201 -5.567 1.00 0.00 H new ATOM 0 HA GLU A 30 12.614 0.832 -4.728 1.00 0.00 H new ATOM 0 HB2 GLU A 30 13.093 -0.169 -7.553 1.00 0.00 H new ATOM 0 HB3 GLU A 30 12.097 1.183 -7.052 1.00 0.00 H new ATOM 0 HG2 GLU A 30 14.150 2.375 -6.271 1.00 0.00 H new ATOM 0 HG3 GLU A 30 15.124 1.036 -6.845 1.00 0.00 H new ATOM 419 N VAL A 31 10.645 -0.699 -5.071 1.00 0.00 N ATOM 420 CA VAL A 31 9.555 -1.666 -5.009 1.00 0.00 C ATOM 421 C VAL A 31 8.216 -1.005 -5.314 1.00 0.00 C ATOM 422 O VAL A 31 7.930 0.091 -4.832 1.00 0.00 O ATOM 423 CB VAL A 31 9.481 -2.340 -3.626 1.00 0.00 C ATOM 424 CG1 VAL A 31 9.685 -1.315 -2.521 1.00 0.00 C ATOM 425 CG2 VAL A 31 8.152 -3.061 -3.457 1.00 0.00 C ATOM 0 H VAL A 31 10.373 0.258 -4.846 1.00 0.00 H new ATOM 0 HA VAL A 31 9.761 -2.425 -5.764 1.00 0.00 H new ATOM 0 HB VAL A 31 10.281 -3.077 -3.556 1.00 0.00 H new ATOM 0 HG11 VAL A 31 9.629 -1.810 -1.551 1.00 0.00 H new ATOM 0 HG12 VAL A 31 10.663 -0.848 -2.634 1.00 0.00 H new ATOM 0 HG13 VAL A 31 8.909 -0.552 -2.584 1.00 0.00 H new ATOM 0 HG21 VAL A 31 8.116 -3.532 -2.475 1.00 0.00 H new ATOM 0 HG22 VAL A 31 7.335 -2.345 -3.546 1.00 0.00 H new ATOM 0 HG23 VAL A 31 8.051 -3.824 -4.229 1.00 0.00 H new ATOM 435 N GLU A 32 7.398 -1.679 -6.116 1.00 0.00 N ATOM 436 CA GLU A 32 6.088 -1.156 -6.484 1.00 0.00 C ATOM 437 C GLU A 32 4.973 -1.984 -5.850 1.00 0.00 C ATOM 438 O GLU A 32 4.773 -3.148 -6.199 1.00 0.00 O ATOM 439 CB GLU A 32 5.927 -1.146 -8.006 1.00 0.00 C ATOM 440 CG GLU A 32 4.486 -1.003 -8.465 1.00 0.00 C ATOM 441 CD GLU A 32 4.376 -0.618 -9.928 1.00 0.00 C ATOM 442 OE1 GLU A 32 5.371 -0.111 -10.486 1.00 0.00 O ATOM 443 OE2 GLU A 32 3.293 -0.826 -10.515 1.00 0.00 O ATOM 0 H GLU A 32 7.619 -2.588 -6.523 1.00 0.00 H new ATOM 0 HA GLU A 32 6.016 -0.134 -6.111 1.00 0.00 H new ATOM 0 HB2 GLU A 32 6.514 -0.326 -8.420 1.00 0.00 H new ATOM 0 HB3 GLU A 32 6.339 -2.070 -8.412 1.00 0.00 H new ATOM 0 HG2 GLU A 32 3.961 -1.944 -8.300 1.00 0.00 H new ATOM 0 HG3 GLU A 32 3.988 -0.249 -7.856 1.00 0.00 H new ATOM 450 N LEU A 33 4.251 -1.375 -4.916 1.00 0.00 N ATOM 451 CA LEU A 33 3.157 -2.055 -4.231 1.00 0.00 C ATOM 452 C LEU A 33 1.815 -1.702 -4.866 1.00 0.00 C ATOM 453 O LEU A 33 1.638 -0.609 -5.402 1.00 0.00 O ATOM 454 CB LEU A 33 3.146 -1.680 -2.748 1.00 0.00 C ATOM 455 CG LEU A 33 4.490 -1.768 -2.024 1.00 0.00 C ATOM 456 CD1 LEU A 33 4.556 -0.751 -0.895 1.00 0.00 C ATOM 457 CD2 LEU A 33 4.718 -3.175 -1.490 1.00 0.00 C ATOM 0 H LEU A 33 4.403 -0.412 -4.616 1.00 0.00 H new ATOM 0 HA LEU A 33 3.313 -3.130 -4.327 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.771 -0.661 -2.654 1.00 0.00 H new ATOM 0 HB3 LEU A 33 2.436 -2.329 -2.235 1.00 0.00 H new ATOM 0 HG LEU A 33 5.281 -1.539 -2.739 1.00 0.00 H new ATOM 0 HD11 LEU A 33 5.520 -0.829 -0.391 1.00 0.00 H new ATOM 0 HD12 LEU A 33 4.439 0.253 -1.303 1.00 0.00 H new ATOM 0 HD13 LEU A 33 3.756 -0.948 -0.181 1.00 0.00 H new ATOM 0 HD21 LEU A 33 5.679 -3.219 -0.978 1.00 0.00 H new ATOM 0 HD22 LEU A 33 3.922 -3.432 -0.791 1.00 0.00 H new ATOM 0 HD23 LEU A 33 4.716 -3.883 -2.318 1.00 0.00 H new ATOM 469 N LYS A 34 0.872 -2.636 -4.799 1.00 0.00 N ATOM 470 CA LYS A 34 -0.456 -2.424 -5.363 1.00 0.00 C ATOM 471 C LYS A 34 -1.527 -2.515 -4.282 1.00 0.00 C ATOM 472 O LYS A 34 -1.340 -3.181 -3.264 1.00 0.00 O ATOM 473 CB LYS A 34 -0.735 -3.453 -6.461 1.00 0.00 C ATOM 474 CG LYS A 34 -0.032 -3.149 -7.773 1.00 0.00 C ATOM 475 CD LYS A 34 -0.190 -4.287 -8.767 1.00 0.00 C ATOM 476 CE LYS A 34 -1.467 -4.142 -9.582 1.00 0.00 C ATOM 477 NZ LYS A 34 -1.440 -2.928 -10.443 1.00 0.00 N ATOM 0 H LYS A 34 1.003 -3.547 -4.360 1.00 0.00 H new ATOM 0 HA LYS A 34 -0.485 -1.423 -5.795 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -0.424 -4.438 -6.112 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -1.810 -3.502 -6.637 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -0.438 -2.232 -8.201 1.00 0.00 H new ATOM 0 HG3 LYS A 34 1.027 -2.972 -7.587 1.00 0.00 H new ATOM 0 HD2 LYS A 34 0.670 -4.309 -9.437 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -0.203 -5.238 -8.234 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -1.603 -5.026 -10.205 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -2.323 -4.091 -8.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -2.060 -3.072 -11.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -1.773 -2.108 -9.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -0.468 -2.755 -10.769 1.00 0.00 H new ATOM 491 N ALA A 35 -2.651 -1.843 -4.510 1.00 0.00 N ATOM 492 CA ALA A 35 -3.753 -1.851 -3.557 1.00 0.00 C ATOM 493 C ALA A 35 -4.991 -2.512 -4.155 1.00 0.00 C ATOM 494 O ALA A 35 -5.454 -2.129 -5.229 1.00 0.00 O ATOM 495 CB ALA A 35 -4.075 -0.433 -3.109 1.00 0.00 C ATOM 0 H ALA A 35 -2.822 -1.286 -5.347 1.00 0.00 H new ATOM 0 HA ALA A 35 -3.445 -2.433 -2.689 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -4.900 -0.455 -2.397 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -3.198 0.007 -2.634 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -4.358 0.167 -3.974 1.00 0.00 H new ATOM 501 N PHE A 36 -5.521 -3.508 -3.453 1.00 0.00 N ATOM 502 CA PHE A 36 -6.704 -4.225 -3.915 1.00 0.00 C ATOM 503 C PHE A 36 -7.842 -4.103 -2.906 1.00 0.00 C ATOM 504 O PHE A 36 -7.643 -4.279 -1.704 1.00 0.00 O ATOM 505 CB PHE A 36 -6.373 -5.699 -4.153 1.00 0.00 C ATOM 506 CG PHE A 36 -5.538 -5.936 -5.379 1.00 0.00 C ATOM 507 CD1 PHE A 36 -4.157 -5.848 -5.319 1.00 0.00 C ATOM 508 CD2 PHE A 36 -6.134 -6.249 -6.590 1.00 0.00 C ATOM 509 CE1 PHE A 36 -3.386 -6.064 -6.446 1.00 0.00 C ATOM 510 CE2 PHE A 36 -5.369 -6.467 -7.720 1.00 0.00 C ATOM 511 CZ PHE A 36 -3.993 -6.376 -7.647 1.00 0.00 C ATOM 0 H PHE A 36 -5.150 -3.837 -2.562 1.00 0.00 H new ATOM 0 HA PHE A 36 -7.026 -3.777 -4.855 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -5.845 -6.090 -3.283 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -7.302 -6.262 -4.242 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -3.677 -5.608 -4.382 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -7.210 -6.324 -6.652 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -2.310 -5.989 -6.388 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -5.846 -6.708 -8.658 1.00 0.00 H new ATOM 0 HZ PHE A 36 -3.392 -6.549 -8.528 1.00 0.00 H new ATOM 521 N VAL A 37 -9.037 -3.801 -3.404 1.00 0.00 N ATOM 522 CA VAL A 37 -10.208 -3.656 -2.548 1.00 0.00 C ATOM 523 C VAL A 37 -11.412 -4.382 -3.136 1.00 0.00 C ATOM 524 O VAL A 37 -11.767 -4.178 -4.296 1.00 0.00 O ATOM 525 CB VAL A 37 -10.569 -2.174 -2.337 1.00 0.00 C ATOM 526 CG1 VAL A 37 -10.516 -1.418 -3.656 1.00 0.00 C ATOM 527 CG2 VAL A 37 -11.943 -2.047 -1.695 1.00 0.00 C ATOM 0 H VAL A 37 -9.219 -3.652 -4.396 1.00 0.00 H new ATOM 0 HA VAL A 37 -9.953 -4.101 -1.586 1.00 0.00 H new ATOM 0 HB VAL A 37 -9.835 -1.732 -1.663 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -10.774 -0.373 -3.487 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -9.510 -1.481 -4.071 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -11.226 -1.858 -4.356 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -12.182 -0.993 -1.553 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -12.691 -2.505 -2.342 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -11.941 -2.552 -0.729 1.00 0.00 H new ATOM 537 N ALA A 38 -12.038 -5.231 -2.327 1.00 0.00 N ATOM 538 CA ALA A 38 -13.204 -5.987 -2.766 1.00 0.00 C ATOM 539 C ALA A 38 -14.408 -5.706 -1.873 1.00 0.00 C ATOM 540 O ALA A 38 -14.291 -5.574 -0.655 1.00 0.00 O ATOM 541 CB ALA A 38 -12.893 -7.476 -2.783 1.00 0.00 C ATOM 0 H ALA A 38 -11.757 -5.412 -1.364 1.00 0.00 H new ATOM 0 HA ALA A 38 -13.453 -5.668 -3.778 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -13.773 -8.028 -3.113 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -12.067 -7.667 -3.468 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -12.616 -7.801 -1.780 1.00 0.00 H new ATOM 547 N PRO A 39 -15.595 -5.611 -2.491 1.00 0.00 N ATOM 548 CA PRO A 39 -15.747 -5.765 -3.941 1.00 0.00 C ATOM 549 C PRO A 39 -15.140 -4.599 -4.715 1.00 0.00 C ATOM 550 O PRO A 39 -14.932 -3.518 -4.165 1.00 0.00 O ATOM 551 CB PRO A 39 -17.265 -5.804 -4.136 1.00 0.00 C ATOM 552 CG PRO A 39 -17.816 -5.067 -2.965 1.00 0.00 C ATOM 553 CD PRO A 39 -16.879 -5.345 -1.822 1.00 0.00 C ATOM 0 HA PRO A 39 -15.233 -6.651 -4.313 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -17.556 -5.331 -5.074 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -17.634 -6.829 -4.168 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -17.876 -3.998 -3.170 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -18.826 -5.404 -2.732 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -16.810 -4.495 -1.143 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -17.209 -6.199 -1.231 1.00 0.00 H new ATOM 561 N ALA A 40 -14.859 -4.826 -5.994 1.00 0.00 N ATOM 562 CA ALA A 40 -14.279 -3.794 -6.843 1.00 0.00 C ATOM 563 C ALA A 40 -15.296 -2.699 -7.150 1.00 0.00 C ATOM 564 O ALA A 40 -16.471 -2.964 -7.403 1.00 0.00 O ATOM 565 CB ALA A 40 -13.754 -4.406 -8.134 1.00 0.00 C ATOM 0 H ALA A 40 -15.024 -5.716 -6.464 1.00 0.00 H new ATOM 0 HA ALA A 40 -13.447 -3.340 -6.304 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -13.323 -3.624 -8.759 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -12.989 -5.146 -7.901 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -14.573 -4.887 -8.668 1.00 0.00 H new ATOM 571 N PRO A 41 -14.835 -1.440 -7.127 1.00 0.00 N ATOM 572 CA PRO A 41 -15.689 -0.280 -7.400 1.00 0.00 C ATOM 573 C PRO A 41 -16.111 -0.203 -8.863 1.00 0.00 C ATOM 574 O PRO A 41 -15.380 -0.607 -9.767 1.00 0.00 O ATOM 575 CB PRO A 41 -14.798 0.910 -7.037 1.00 0.00 C ATOM 576 CG PRO A 41 -13.406 0.406 -7.204 1.00 0.00 C ATOM 577 CD PRO A 41 -13.446 -1.051 -6.833 1.00 0.00 C ATOM 0 HA PRO A 41 -16.621 -0.319 -6.837 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -14.991 1.762 -7.688 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -14.979 1.243 -6.015 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -13.064 0.538 -8.230 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -12.714 0.953 -6.564 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -12.733 -1.634 -7.417 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -13.199 -1.205 -5.783 1.00 0.00 H new ATOM 585 N PRO A 42 -17.319 0.329 -9.104 1.00 0.00 N ATOM 586 CA PRO A 42 -17.865 0.473 -10.457 1.00 0.00 C ATOM 587 C PRO A 42 -17.128 1.531 -11.270 1.00 0.00 C ATOM 588 O PRO A 42 -16.058 1.997 -10.877 1.00 0.00 O ATOM 589 CB PRO A 42 -19.314 0.900 -10.211 1.00 0.00 C ATOM 590 CG PRO A 42 -19.294 1.554 -8.873 1.00 0.00 C ATOM 591 CD PRO A 42 -18.244 0.832 -8.075 1.00 0.00 C ATOM 0 HA PRO A 42 -17.770 -0.446 -11.035 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -19.661 1.588 -10.983 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -19.987 0.043 -10.223 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -19.057 2.614 -8.960 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -20.268 1.484 -8.390 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -17.742 1.500 -7.375 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -18.673 0.019 -7.489 1.00 0.00 H new ATOM 599 N VAL A 43 -17.707 1.908 -12.406 1.00 0.00 N ATOM 600 CA VAL A 43 -17.106 2.913 -13.274 1.00 0.00 C ATOM 601 C VAL A 43 -17.305 4.316 -12.711 1.00 0.00 C ATOM 602 O VAL A 43 -16.421 5.166 -12.808 1.00 0.00 O ATOM 603 CB VAL A 43 -17.697 2.854 -14.695 1.00 0.00 C ATOM 604 CG1 VAL A 43 -19.195 3.117 -14.662 1.00 0.00 C ATOM 605 CG2 VAL A 43 -16.993 3.848 -15.606 1.00 0.00 C ATOM 0 H VAL A 43 -18.592 1.532 -12.746 1.00 0.00 H new ATOM 0 HA VAL A 43 -16.040 2.692 -13.322 1.00 0.00 H new ATOM 0 HB VAL A 43 -17.537 1.853 -15.095 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -19.595 3.071 -15.675 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -19.683 2.363 -14.045 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -19.382 4.106 -14.243 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -17.423 3.793 -16.606 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -17.120 4.856 -15.211 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -15.931 3.608 -15.654 1.00 0.00 H new ATOM 615 N GLU A 44 -18.474 4.550 -12.121 1.00 0.00 N ATOM 616 CA GLU A 44 -18.789 5.851 -11.543 1.00 0.00 C ATOM 617 C GLU A 44 -18.102 6.027 -10.192 1.00 0.00 C ATOM 618 O GLU A 44 -17.172 6.822 -10.053 1.00 0.00 O ATOM 619 CB GLU A 44 -20.302 6.009 -11.381 1.00 0.00 C ATOM 620 CG GLU A 44 -21.035 6.229 -12.695 1.00 0.00 C ATOM 621 CD GLU A 44 -22.541 6.264 -12.524 1.00 0.00 C ATOM 622 OE1 GLU A 44 -23.152 5.179 -12.422 1.00 0.00 O ATOM 623 OE2 GLU A 44 -23.109 7.376 -12.492 1.00 0.00 O ATOM 0 H GLU A 44 -19.217 3.857 -12.031 1.00 0.00 H new ATOM 0 HA GLU A 44 -18.421 6.620 -12.222 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -20.702 5.119 -10.896 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -20.502 6.850 -10.718 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -20.702 7.167 -13.140 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -20.771 5.434 -13.392 1.00 0.00 H new ATOM 630 N THR A 45 -18.566 5.278 -9.196 1.00 0.00 N ATOM 631 CA THR A 45 -17.999 5.351 -7.856 1.00 0.00 C ATOM 632 C THR A 45 -16.566 4.830 -7.836 1.00 0.00 C ATOM 633 O THR A 45 -16.249 3.829 -8.479 1.00 0.00 O ATOM 634 CB THR A 45 -18.839 4.547 -6.845 1.00 0.00 C ATOM 635 OG1 THR A 45 -20.214 4.936 -6.932 1.00 0.00 O ATOM 636 CG2 THR A 45 -18.334 4.764 -5.427 1.00 0.00 C ATOM 0 H THR A 45 -19.334 4.613 -9.293 1.00 0.00 H new ATOM 0 HA THR A 45 -18.005 6.402 -7.568 1.00 0.00 H new ATOM 0 HB THR A 45 -18.745 3.489 -7.089 1.00 0.00 H new ATOM 0 HG1 THR A 45 -20.742 4.419 -6.288 1.00 0.00 H new ATOM 0 HG21 THR A 45 -18.943 4.186 -4.732 1.00 0.00 H new ATOM 0 HG22 THR A 45 -17.296 4.439 -5.357 1.00 0.00 H new ATOM 0 HG23 THR A 45 -18.401 5.822 -5.175 1.00 0.00 H new ATOM 644 N THR A 46 -15.702 5.516 -7.093 1.00 0.00 N ATOM 645 CA THR A 46 -14.303 5.123 -6.990 1.00 0.00 C ATOM 646 C THR A 46 -13.742 5.443 -5.609 1.00 0.00 C ATOM 647 O THR A 46 -14.101 6.451 -5.001 1.00 0.00 O ATOM 648 CB THR A 46 -13.442 5.826 -8.057 1.00 0.00 C ATOM 649 OG1 THR A 46 -13.759 7.222 -8.100 1.00 0.00 O ATOM 650 CG2 THR A 46 -13.667 5.207 -9.428 1.00 0.00 C ATOM 0 H THR A 46 -15.948 6.346 -6.554 1.00 0.00 H new ATOM 0 HA THR A 46 -14.264 4.046 -7.154 1.00 0.00 H new ATOM 0 HB THR A 46 -12.393 5.700 -7.787 1.00 0.00 H new ATOM 0 HG1 THR A 46 -13.206 7.662 -8.779 1.00 0.00 H new ATOM 0 HG21 THR A 46 -13.049 5.720 -10.165 1.00 0.00 H new ATOM 0 HG22 THR A 46 -13.397 4.151 -9.399 1.00 0.00 H new ATOM 0 HG23 THR A 46 -14.717 5.306 -9.704 1.00 0.00 H new ATOM 658 N TYR A 47 -12.861 4.578 -5.119 1.00 0.00 N ATOM 659 CA TYR A 47 -12.251 4.768 -3.808 1.00 0.00 C ATOM 660 C TYR A 47 -10.941 5.540 -3.923 1.00 0.00 C ATOM 661 O TYR A 47 -10.356 5.635 -5.001 1.00 0.00 O ATOM 662 CB TYR A 47 -12.003 3.416 -3.138 1.00 0.00 C ATOM 663 CG TYR A 47 -13.200 2.493 -3.174 1.00 0.00 C ATOM 664 CD1 TYR A 47 -14.447 2.924 -2.740 1.00 0.00 C ATOM 665 CD2 TYR A 47 -13.083 1.190 -3.642 1.00 0.00 C ATOM 666 CE1 TYR A 47 -15.543 2.083 -2.771 1.00 0.00 C ATOM 667 CE2 TYR A 47 -14.174 0.343 -3.677 1.00 0.00 C ATOM 668 CZ TYR A 47 -15.402 0.794 -3.240 1.00 0.00 C ATOM 669 OH TYR A 47 -16.491 -0.045 -3.273 1.00 0.00 O ATOM 0 H TYR A 47 -12.553 3.738 -5.610 1.00 0.00 H new ATOM 0 HA TYR A 47 -12.940 5.349 -3.195 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -11.162 2.926 -3.629 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -11.714 3.582 -2.100 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -14.562 3.933 -2.372 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -12.123 0.833 -3.984 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -16.506 2.434 -2.429 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -14.066 -0.667 -4.045 1.00 0.00 H new ATOM 0 HH TYR A 47 -16.222 -0.916 -3.631 1.00 0.00 H new ATOM 679 N ASN A 48 -10.485 6.090 -2.802 1.00 0.00 N ATOM 680 CA ASN A 48 -9.243 6.854 -2.775 1.00 0.00 C ATOM 681 C ASN A 48 -8.116 6.039 -2.150 1.00 0.00 C ATOM 682 O ASN A 48 -8.301 5.396 -1.116 1.00 0.00 O ATOM 683 CB ASN A 48 -9.438 8.157 -1.997 1.00 0.00 C ATOM 684 CG ASN A 48 -10.180 9.206 -2.802 1.00 0.00 C ATOM 685 OD1 ASN A 48 -9.885 9.426 -3.977 1.00 0.00 O ATOM 686 ND2 ASN A 48 -11.149 9.860 -2.172 1.00 0.00 N ATOM 0 H ASN A 48 -10.957 6.021 -1.900 1.00 0.00 H new ATOM 0 HA ASN A 48 -8.969 7.090 -3.803 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -9.989 7.950 -1.080 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -8.465 8.550 -1.703 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -11.683 10.577 -2.663 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -11.359 9.645 -1.197 1.00 0.00 H new ATOM 693 N TYR A 49 -6.949 6.070 -2.783 1.00 0.00 N ATOM 694 CA TYR A 49 -5.791 5.333 -2.289 1.00 0.00 C ATOM 695 C TYR A 49 -4.840 6.254 -1.533 1.00 0.00 C ATOM 696 O TYR A 49 -4.234 7.152 -2.116 1.00 0.00 O ATOM 697 CB TYR A 49 -5.055 4.663 -3.450 1.00 0.00 C ATOM 698 CG TYR A 49 -5.951 3.827 -4.335 1.00 0.00 C ATOM 699 CD1 TYR A 49 -6.457 2.610 -3.893 1.00 0.00 C ATOM 700 CD2 TYR A 49 -6.293 4.252 -5.613 1.00 0.00 C ATOM 701 CE1 TYR A 49 -7.276 1.842 -4.698 1.00 0.00 C ATOM 702 CE2 TYR A 49 -7.112 3.492 -6.424 1.00 0.00 C ATOM 703 CZ TYR A 49 -7.602 2.288 -5.962 1.00 0.00 C ATOM 704 OH TYR A 49 -8.417 1.527 -6.768 1.00 0.00 O ATOM 0 H TYR A 49 -6.779 6.597 -3.639 1.00 0.00 H new ATOM 0 HA TYR A 49 -6.147 4.566 -1.601 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -4.575 5.431 -4.056 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -4.262 4.031 -3.050 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -6.206 2.259 -2.903 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -5.911 5.194 -5.978 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -7.659 0.898 -4.340 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -7.368 3.838 -7.415 1.00 0.00 H new ATOM 0 HH TYR A 49 -7.867 0.981 -7.367 1.00 0.00 H new ATOM 714 N GLU A 50 -4.715 6.024 -0.229 1.00 0.00 N ATOM 715 CA GLU A 50 -3.838 6.834 0.608 1.00 0.00 C ATOM 716 C GLU A 50 -2.898 5.951 1.424 1.00 0.00 C ATOM 717 O GLU A 50 -3.314 5.312 2.390 1.00 0.00 O ATOM 718 CB GLU A 50 -4.664 7.720 1.543 1.00 0.00 C ATOM 719 CG GLU A 50 -3.823 8.516 2.528 1.00 0.00 C ATOM 720 CD GLU A 50 -4.618 8.978 3.733 1.00 0.00 C ATOM 721 OE1 GLU A 50 -5.721 9.531 3.540 1.00 0.00 O ATOM 722 OE2 GLU A 50 -4.138 8.787 4.870 1.00 0.00 O ATOM 0 H GLU A 50 -5.210 5.284 0.270 1.00 0.00 H new ATOM 0 HA GLU A 50 -3.238 7.468 -0.045 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -5.258 8.411 0.945 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -5.364 7.095 2.098 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -2.986 7.904 2.863 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -3.401 9.384 2.021 1.00 0.00 H new ATOM 729 N TRP A 51 -1.631 5.922 1.028 1.00 0.00 N ATOM 730 CA TRP A 51 -0.632 5.118 1.722 1.00 0.00 C ATOM 731 C TRP A 51 0.033 5.918 2.837 1.00 0.00 C ATOM 732 O TRP A 51 0.057 7.148 2.801 1.00 0.00 O ATOM 733 CB TRP A 51 0.425 4.618 0.736 1.00 0.00 C ATOM 734 CG TRP A 51 -0.119 3.666 -0.286 1.00 0.00 C ATOM 735 CD1 TRP A 51 -0.798 3.988 -1.426 1.00 0.00 C ATOM 736 CD2 TRP A 51 -0.030 2.238 -0.259 1.00 0.00 C ATOM 737 NE1 TRP A 51 -1.137 2.845 -2.109 1.00 0.00 N ATOM 738 CE2 TRP A 51 -0.677 1.758 -1.415 1.00 0.00 C ATOM 739 CE3 TRP A 51 0.534 1.317 0.628 1.00 0.00 C ATOM 740 CZ2 TRP A 51 -0.775 0.400 -1.703 1.00 0.00 C ATOM 741 CZ3 TRP A 51 0.436 -0.031 0.340 1.00 0.00 C ATOM 742 CH2 TRP A 51 -0.213 -0.480 -0.818 1.00 0.00 C ATOM 0 H TRP A 51 -1.271 6.446 0.230 1.00 0.00 H new ATOM 0 HA TRP A 51 -1.138 4.261 2.167 1.00 0.00 H new ATOM 0 HB2 TRP A 51 0.869 5.473 0.226 1.00 0.00 H new ATOM 0 HB3 TRP A 51 1.225 4.127 1.290 1.00 0.00 H new ATOM 0 HD1 TRP A 51 -1.034 4.993 -1.744 1.00 0.00 H new ATOM 0 HE1 TRP A 51 -1.649 2.812 -2.991 1.00 0.00 H new ATOM 0 HE3 TRP A 51 1.037 1.653 1.523 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 -1.277 0.053 -2.594 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 0.867 -0.751 1.019 1.00 0.00 H new ATOM 0 HH2 TRP A 51 -0.271 -1.540 -1.016 1.00 0.00 H new ATOM 753 N ASN A 52 0.572 5.213 3.826 1.00 0.00 N ATOM 754 CA ASN A 52 1.238 5.859 4.951 1.00 0.00 C ATOM 755 C ASN A 52 2.189 4.891 5.649 1.00 0.00 C ATOM 756 O ASN A 52 1.891 3.705 5.793 1.00 0.00 O ATOM 757 CB ASN A 52 0.203 6.383 5.949 1.00 0.00 C ATOM 758 CG ASN A 52 -0.433 7.682 5.493 1.00 0.00 C ATOM 759 OD1 ASN A 52 -1.517 7.575 4.733 1.00 0.00 O flip ATOM 760 ND2 ASN A 52 0.044 8.769 5.820 1.00 0.00 N flip ATOM 0 H ASN A 52 0.561 4.194 3.871 1.00 0.00 H new ATOM 0 HA ASN A 52 1.819 6.697 4.566 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -0.574 5.632 6.091 1.00 0.00 H new ATOM 0 HB3 ASN A 52 0.680 6.535 6.917 1.00 0.00 H new ATOM 0 HD21 ASN A 52 0.879 8.804 6.405 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -0.395 9.634 5.505 1.00 0.00 H new ATOM 767 N LEU A 53 3.335 5.406 6.082 1.00 0.00 N ATOM 768 CA LEU A 53 4.331 4.589 6.766 1.00 0.00 C ATOM 769 C LEU A 53 4.052 4.531 8.264 1.00 0.00 C ATOM 770 O LEU A 53 3.931 5.564 8.923 1.00 0.00 O ATOM 771 CB LEU A 53 5.734 5.145 6.518 1.00 0.00 C ATOM 772 CG LEU A 53 6.896 4.210 6.852 1.00 0.00 C ATOM 773 CD1 LEU A 53 6.551 2.776 6.478 1.00 0.00 C ATOM 774 CD2 LEU A 53 8.164 4.658 6.140 1.00 0.00 C ATOM 0 H LEU A 53 3.597 6.386 5.971 1.00 0.00 H new ATOM 0 HA LEU A 53 4.272 3.577 6.365 1.00 0.00 H new ATOM 0 HB2 LEU A 53 5.811 5.426 5.468 1.00 0.00 H new ATOM 0 HB3 LEU A 53 5.849 6.058 7.102 1.00 0.00 H new ATOM 0 HG LEU A 53 7.073 4.252 7.927 1.00 0.00 H new ATOM 0 HD11 LEU A 53 7.390 2.124 6.723 1.00 0.00 H new ATOM 0 HD12 LEU A 53 5.669 2.457 7.034 1.00 0.00 H new ATOM 0 HD13 LEU A 53 6.346 2.718 5.409 1.00 0.00 H new ATOM 0 HD21 LEU A 53 8.980 3.980 6.390 1.00 0.00 H new ATOM 0 HD22 LEU A 53 8.000 4.646 5.063 1.00 0.00 H new ATOM 0 HD23 LEU A 53 8.421 5.669 6.457 1.00 0.00 H new ATOM 786 N ILE A 54 3.952 3.317 8.796 1.00 0.00 N ATOM 787 CA ILE A 54 3.691 3.125 10.217 1.00 0.00 C ATOM 788 C ILE A 54 4.851 2.406 10.897 1.00 0.00 C ATOM 789 O ILE A 54 5.290 2.800 11.978 1.00 0.00 O ATOM 790 CB ILE A 54 2.397 2.322 10.448 1.00 0.00 C ATOM 791 CG1 ILE A 54 2.278 1.198 9.417 1.00 0.00 C ATOM 792 CG2 ILE A 54 1.185 3.239 10.382 1.00 0.00 C ATOM 793 CD1 ILE A 54 0.938 0.497 9.439 1.00 0.00 C ATOM 0 H ILE A 54 4.048 2.452 8.264 1.00 0.00 H new ATOM 0 HA ILE A 54 3.576 4.117 10.654 1.00 0.00 H new ATOM 0 HB ILE A 54 2.436 1.876 11.442 1.00 0.00 H new ATOM 0 HG12 ILE A 54 2.447 1.609 8.422 1.00 0.00 H new ATOM 0 HG13 ILE A 54 3.065 0.466 9.597 1.00 0.00 H new ATOM 0 HG21 ILE A 54 0.279 2.657 10.547 1.00 0.00 H new ATOM 0 HG22 ILE A 54 1.268 4.007 11.151 1.00 0.00 H new ATOM 0 HG23 ILE A 54 1.139 3.711 9.401 1.00 0.00 H new ATOM 0 HD11 ILE A 54 0.925 -0.288 8.682 1.00 0.00 H new ATOM 0 HD12 ILE A 54 0.774 0.056 10.422 1.00 0.00 H new ATOM 0 HD13 ILE A 54 0.147 1.217 9.228 1.00 0.00 H new ATOM 805 N SER A 55 5.344 1.351 10.256 1.00 0.00 N ATOM 806 CA SER A 55 6.452 0.576 10.800 1.00 0.00 C ATOM 807 C SER A 55 7.718 0.784 9.974 1.00 0.00 C ATOM 808 O SER A 55 7.854 0.240 8.877 1.00 0.00 O ATOM 809 CB SER A 55 6.092 -0.911 10.836 1.00 0.00 C ATOM 810 OG SER A 55 6.743 -1.567 11.911 1.00 0.00 O ATOM 0 H SER A 55 4.993 1.014 9.360 1.00 0.00 H new ATOM 0 HA SER A 55 6.641 0.922 11.816 1.00 0.00 H new ATOM 0 HB2 SER A 55 5.013 -1.025 10.936 1.00 0.00 H new ATOM 0 HB3 SER A 55 6.376 -1.380 9.894 1.00 0.00 H new ATOM 0 HG SER A 55 6.496 -2.515 11.914 1.00 0.00 H new ATOM 816 N HIS A 56 8.642 1.576 10.508 1.00 0.00 N ATOM 817 CA HIS A 56 9.898 1.857 9.821 1.00 0.00 C ATOM 818 C HIS A 56 10.990 2.232 10.818 1.00 0.00 C ATOM 819 O HIS A 56 10.737 2.862 11.846 1.00 0.00 O ATOM 820 CB HIS A 56 9.708 2.985 8.807 1.00 0.00 C ATOM 821 CG HIS A 56 9.235 4.268 9.420 1.00 0.00 C ATOM 822 ND1 HIS A 56 8.107 4.556 10.111 1.00 0.00 N flip ATOM 823 CD2 HIS A 56 9.953 5.443 9.355 1.00 0.00 C flip ATOM 824 CE1 HIS A 56 8.165 5.886 10.449 1.00 0.00 C flip ATOM 825 NE2 HIS A 56 9.289 6.398 9.981 1.00 0.00 N flip ATOM 0 H HIS A 56 8.545 2.035 11.414 1.00 0.00 H new ATOM 0 HA HIS A 56 10.206 0.954 9.294 1.00 0.00 H new ATOM 0 HB2 HIS A 56 10.653 3.164 8.293 1.00 0.00 H new ATOM 0 HB3 HIS A 56 8.990 2.666 8.052 1.00 0.00 H new ATOM 0 HD2 HIS A 56 10.909 5.564 8.868 1.00 0.00 H new ATOM 0 HE1 HIS A 56 7.414 6.425 11.007 1.00 0.00 H new ATOM 0 HE2 HIS A 56 9.593 7.366 10.085 1.00 0.00 H new ATOM 834 N PRO A 57 12.234 1.835 10.511 1.00 0.00 N ATOM 835 CA PRO A 57 13.390 2.118 11.368 1.00 0.00 C ATOM 836 C PRO A 57 13.758 3.598 11.374 1.00 0.00 C ATOM 837 O PRO A 57 13.709 4.266 10.341 1.00 0.00 O ATOM 838 CB PRO A 57 14.511 1.291 10.735 1.00 0.00 C ATOM 839 CG PRO A 57 14.111 1.139 9.308 1.00 0.00 C ATOM 840 CD PRO A 57 12.609 1.081 9.303 1.00 0.00 C ATOM 0 HA PRO A 57 13.195 1.869 12.411 1.00 0.00 H new ATOM 0 HB2 PRO A 57 15.473 1.795 10.825 1.00 0.00 H new ATOM 0 HB3 PRO A 57 14.612 0.322 11.223 1.00 0.00 H new ATOM 0 HG2 PRO A 57 14.471 1.976 8.710 1.00 0.00 H new ATOM 0 HG3 PRO A 57 14.538 0.233 8.877 1.00 0.00 H new ATOM 0 HD2 PRO A 57 12.193 1.532 8.402 1.00 0.00 H new ATOM 0 HD3 PRO A 57 12.246 0.054 9.342 1.00 0.00 H new ATOM 848 N THR A 58 14.127 4.106 12.546 1.00 0.00 N ATOM 849 CA THR A 58 14.503 5.507 12.687 1.00 0.00 C ATOM 850 C THR A 58 15.615 5.879 11.714 1.00 0.00 C ATOM 851 O THR A 58 15.706 7.022 11.268 1.00 0.00 O ATOM 852 CB THR A 58 14.966 5.822 14.122 1.00 0.00 C ATOM 853 OG1 THR A 58 14.798 7.218 14.396 1.00 0.00 O ATOM 854 CG2 THR A 58 16.423 5.434 14.319 1.00 0.00 C ATOM 0 H THR A 58 14.173 3.568 13.411 1.00 0.00 H new ATOM 0 HA THR A 58 13.615 6.097 12.461 1.00 0.00 H new ATOM 0 HB THR A 58 14.355 5.240 14.812 1.00 0.00 H new ATOM 0 HG1 THR A 58 15.093 7.410 15.311 1.00 0.00 H new ATOM 0 HG21 THR A 58 16.727 5.666 15.340 1.00 0.00 H new ATOM 0 HG22 THR A 58 16.543 4.366 14.139 1.00 0.00 H new ATOM 0 HG23 THR A 58 17.046 5.992 13.620 1.00 0.00 H new ATOM 862 N ASP A 59 16.459 4.906 11.387 1.00 0.00 N ATOM 863 CA ASP A 59 17.565 5.131 10.464 1.00 0.00 C ATOM 864 C ASP A 59 17.050 5.542 9.089 1.00 0.00 C ATOM 865 O ASP A 59 17.754 6.200 8.322 1.00 0.00 O ATOM 866 CB ASP A 59 18.423 3.870 10.345 1.00 0.00 C ATOM 867 CG ASP A 59 18.707 3.234 11.691 1.00 0.00 C ATOM 868 OD1 ASP A 59 17.868 2.437 12.160 1.00 0.00 O ATOM 869 OD2 ASP A 59 19.769 3.533 12.277 1.00 0.00 O ATOM 0 H ASP A 59 16.398 3.954 11.748 1.00 0.00 H new ATOM 0 HA ASP A 59 18.177 5.941 10.860 1.00 0.00 H new ATOM 0 HB2 ASP A 59 17.916 3.148 9.705 1.00 0.00 H new ATOM 0 HB3 ASP A 59 19.366 4.120 9.858 1.00 0.00 H new ATOM 874 N TYR A 60 15.818 5.150 8.782 1.00 0.00 N ATOM 875 CA TYR A 60 15.210 5.475 7.498 1.00 0.00 C ATOM 876 C TYR A 60 15.154 6.985 7.288 1.00 0.00 C ATOM 877 O TYR A 60 14.929 7.745 8.229 1.00 0.00 O ATOM 878 CB TYR A 60 13.801 4.884 7.413 1.00 0.00 C ATOM 879 CG TYR A 60 13.071 5.240 6.137 1.00 0.00 C ATOM 880 CD1 TYR A 60 13.606 4.920 4.896 1.00 0.00 C ATOM 881 CD2 TYR A 60 11.848 5.897 6.174 1.00 0.00 C ATOM 882 CE1 TYR A 60 12.943 5.243 3.727 1.00 0.00 C ATOM 883 CE2 TYR A 60 11.177 6.223 5.011 1.00 0.00 C ATOM 884 CZ TYR A 60 11.729 5.894 3.790 1.00 0.00 C ATOM 885 OH TYR A 60 11.065 6.219 2.630 1.00 0.00 O ATOM 0 H TYR A 60 15.221 4.607 9.406 1.00 0.00 H new ATOM 0 HA TYR A 60 15.827 5.040 6.712 1.00 0.00 H new ATOM 0 HB2 TYR A 60 13.866 3.799 7.494 1.00 0.00 H new ATOM 0 HB3 TYR A 60 13.218 5.233 8.265 1.00 0.00 H new ATOM 0 HD1 TYR A 60 14.557 4.410 4.843 1.00 0.00 H new ATOM 0 HD2 TYR A 60 11.414 6.158 7.128 1.00 0.00 H new ATOM 0 HE1 TYR A 60 13.373 4.987 2.770 1.00 0.00 H new ATOM 0 HE2 TYR A 60 10.226 6.732 5.057 1.00 0.00 H new ATOM 0 HH TYR A 60 10.225 6.673 2.850 1.00 0.00 H new ATOM 934 N ILE A 64 8.019 9.024 1.344 1.00 0.00 N ATOM 935 CA ILE A 64 6.976 8.487 0.480 1.00 0.00 C ATOM 936 C ILE A 64 5.969 9.566 0.097 1.00 0.00 C ATOM 937 O ILE A 64 5.951 10.650 0.681 1.00 0.00 O ATOM 938 CB ILE A 64 6.230 7.321 1.156 1.00 0.00 C ATOM 939 CG1 ILE A 64 7.225 6.363 1.814 1.00 0.00 C ATOM 940 CG2 ILE A 64 5.368 6.584 0.142 1.00 0.00 C ATOM 941 CD1 ILE A 64 6.667 5.650 3.025 1.00 0.00 C ATOM 0 HA ILE A 64 7.470 8.119 -0.419 1.00 0.00 H new ATOM 0 HB ILE A 64 5.579 7.727 1.930 1.00 0.00 H new ATOM 0 HG12 ILE A 64 7.543 5.622 1.081 1.00 0.00 H new ATOM 0 HG13 ILE A 64 8.114 6.921 2.109 1.00 0.00 H new ATOM 0 HG21 ILE A 64 4.848 5.763 0.635 1.00 0.00 H new ATOM 0 HG22 ILE A 64 4.638 7.273 -0.284 1.00 0.00 H new ATOM 0 HG23 ILE A 64 6.000 6.188 -0.653 1.00 0.00 H new ATOM 0 HD11 ILE A 64 7.427 4.988 3.440 1.00 0.00 H new ATOM 0 HD12 ILE A 64 6.375 6.383 3.777 1.00 0.00 H new ATOM 0 HD13 ILE A 64 5.796 5.064 2.733 1.00 0.00 H new ATOM 953 N LYS A 65 5.129 9.262 -0.887 1.00 0.00 N ATOM 954 CA LYS A 65 4.116 10.204 -1.347 1.00 0.00 C ATOM 955 C LYS A 65 2.713 9.662 -1.091 1.00 0.00 C ATOM 956 O LYS A 65 1.791 9.910 -1.868 1.00 0.00 O ATOM 957 CB LYS A 65 4.298 10.492 -2.839 1.00 0.00 C ATOM 958 CG LYS A 65 5.531 11.322 -3.151 1.00 0.00 C ATOM 959 CD LYS A 65 5.469 11.907 -4.552 1.00 0.00 C ATOM 960 CE LYS A 65 6.844 12.342 -5.036 1.00 0.00 C ATOM 961 NZ LYS A 65 7.608 11.210 -5.630 1.00 0.00 N ATOM 0 H LYS A 65 5.130 8.370 -1.381 1.00 0.00 H new ATOM 0 HA LYS A 65 4.237 11.131 -0.787 1.00 0.00 H new ATOM 0 HB2 LYS A 65 4.360 9.547 -3.378 1.00 0.00 H new ATOM 0 HB3 LYS A 65 3.416 11.013 -3.210 1.00 0.00 H new ATOM 0 HG2 LYS A 65 5.622 12.128 -2.423 1.00 0.00 H new ATOM 0 HG3 LYS A 65 6.422 10.702 -3.054 1.00 0.00 H new ATOM 0 HD2 LYS A 65 5.058 11.167 -5.239 1.00 0.00 H new ATOM 0 HD3 LYS A 65 4.792 12.761 -4.561 1.00 0.00 H new ATOM 0 HE2 LYS A 65 6.734 13.134 -5.777 1.00 0.00 H new ATOM 0 HE3 LYS A 65 7.406 12.761 -4.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 8.539 11.548 -5.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 7.735 10.465 -4.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 7.084 10.826 -6.442 1.00 0.00 H new ATOM 975 N GLN A 66 2.560 8.922 0.003 1.00 0.00 N ATOM 976 CA GLN A 66 1.269 8.347 0.360 1.00 0.00 C ATOM 977 C GLN A 66 0.600 7.712 -0.855 1.00 0.00 C ATOM 978 O GLN A 66 -0.623 7.590 -0.910 1.00 0.00 O ATOM 979 CB GLN A 66 0.356 9.419 0.958 1.00 0.00 C ATOM 980 CG GLN A 66 0.835 9.946 2.301 1.00 0.00 C ATOM 981 CD GLN A 66 0.376 11.366 2.567 1.00 0.00 C ATOM 982 OE1 GLN A 66 -0.817 11.626 2.727 1.00 0.00 O ATOM 983 NE2 GLN A 66 1.323 12.296 2.617 1.00 0.00 N ATOM 0 H GLN A 66 3.313 8.707 0.656 1.00 0.00 H new ATOM 0 HA GLN A 66 1.440 7.570 1.105 1.00 0.00 H new ATOM 0 HB2 GLN A 66 0.279 10.250 0.257 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -0.646 9.007 1.075 1.00 0.00 H new ATOM 0 HG2 GLN A 66 0.468 9.295 3.094 1.00 0.00 H new ATOM 0 HG3 GLN A 66 1.924 9.908 2.335 1.00 0.00 H new ATOM 0 HE21 GLN A 66 2.300 12.037 2.479 1.00 0.00 H new ATOM 0 HE22 GLN A 66 1.073 13.269 2.794 1.00 0.00 H new ATOM 992 N GLY A 67 1.412 7.311 -1.829 1.00 0.00 N ATOM 993 CA GLY A 67 0.881 6.695 -3.030 1.00 0.00 C ATOM 994 C GLY A 67 -0.485 7.237 -3.405 1.00 0.00 C ATOM 995 O GLY A 67 -1.506 6.603 -3.140 1.00 0.00 O ATOM 0 H GLY A 67 2.428 7.402 -1.807 1.00 0.00 H new ATOM 0 HA2 GLY A 67 1.573 6.860 -3.856 1.00 0.00 H new ATOM 0 HA3 GLY A 67 0.813 5.617 -2.882 1.00 0.00 H new ATOM 999 N HIS A 68 -0.504 8.414 -4.022 1.00 0.00 N ATOM 1000 CA HIS A 68 -1.754 9.042 -4.432 1.00 0.00 C ATOM 1001 C HIS A 68 -2.523 8.143 -5.397 1.00 0.00 C ATOM 1002 O HIS A 68 -3.688 8.395 -5.703 1.00 0.00 O ATOM 1003 CB HIS A 68 -1.479 10.395 -5.088 1.00 0.00 C ATOM 1004 CG HIS A 68 -0.640 11.308 -4.248 1.00 0.00 C ATOM 1005 ND1 HIS A 68 -0.996 11.698 -2.974 1.00 0.00 N ATOM 1006 CD2 HIS A 68 0.547 11.907 -4.506 1.00 0.00 C ATOM 1007 CE1 HIS A 68 -0.066 12.499 -2.485 1.00 0.00 C ATOM 1008 NE2 HIS A 68 0.882 12.641 -3.395 1.00 0.00 N ATOM 0 H HIS A 68 0.332 8.952 -4.249 1.00 0.00 H new ATOM 0 HA HIS A 68 -2.363 9.196 -3.541 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -0.979 10.232 -6.043 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -2.429 10.884 -5.305 1.00 0.00 H new ATOM 0 HD2 HIS A 68 1.123 11.823 -5.416 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -0.078 12.959 -1.508 1.00 0.00 H new ATOM 0 HE2 HIS A 68 1.726 13.204 -3.289 1.00 0.00 H new ATOM 1017 N LYS A 69 -1.862 7.093 -5.873 1.00 0.00 N ATOM 1018 CA LYS A 69 -2.481 6.156 -6.803 1.00 0.00 C ATOM 1019 C LYS A 69 -2.655 4.785 -6.158 1.00 0.00 C ATOM 1020 O LYS A 69 -2.206 4.557 -5.035 1.00 0.00 O ATOM 1021 CB LYS A 69 -1.636 6.031 -8.072 1.00 0.00 C ATOM 1022 CG LYS A 69 -1.822 7.184 -9.043 1.00 0.00 C ATOM 1023 CD LYS A 69 -1.091 8.431 -8.575 1.00 0.00 C ATOM 1024 CE LYS A 69 -0.994 9.469 -9.683 1.00 0.00 C ATOM 1025 NZ LYS A 69 -0.037 9.057 -10.747 1.00 0.00 N ATOM 0 H LYS A 69 -0.897 6.870 -5.630 1.00 0.00 H new ATOM 0 HA LYS A 69 -3.466 6.542 -7.067 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -0.584 5.968 -7.793 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -1.889 5.098 -8.576 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -1.455 6.894 -10.028 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -2.884 7.403 -9.150 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -1.611 8.859 -7.718 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -0.090 8.162 -8.238 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -1.980 9.625 -10.122 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -0.679 10.423 -9.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 0.195 9.878 -11.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 0.832 8.690 -10.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -0.469 8.315 -11.334 1.00 0.00 H new ATOM 1039 N GLN A 70 -3.306 3.876 -6.876 1.00 0.00 N ATOM 1040 CA GLN A 70 -3.537 2.527 -6.373 1.00 0.00 C ATOM 1041 C GLN A 70 -2.219 1.785 -6.180 1.00 0.00 C ATOM 1042 O GLN A 70 -2.185 0.697 -5.604 1.00 0.00 O ATOM 1043 CB GLN A 70 -4.438 1.749 -7.333 1.00 0.00 C ATOM 1044 CG GLN A 70 -4.217 0.246 -7.291 1.00 0.00 C ATOM 1045 CD GLN A 70 -5.149 -0.507 -8.220 1.00 0.00 C ATOM 1046 OE1 GLN A 70 -6.257 -0.053 -8.509 1.00 0.00 O ATOM 1047 NE2 GLN A 70 -4.704 -1.665 -8.695 1.00 0.00 N ATOM 0 H GLN A 70 -3.683 4.049 -7.808 1.00 0.00 H new ATOM 0 HA GLN A 70 -4.033 2.607 -5.406 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -5.480 1.962 -7.093 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -4.266 2.105 -8.349 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -3.184 0.027 -7.562 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -4.361 -0.110 -6.271 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -3.779 -2.004 -8.429 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -5.287 -2.216 -9.325 1.00 0.00 H new ATOM 1056 N THR A 71 -1.134 2.380 -6.665 1.00 0.00 N ATOM 1057 CA THR A 71 0.187 1.775 -6.548 1.00 0.00 C ATOM 1058 C THR A 71 1.164 2.718 -5.854 1.00 0.00 C ATOM 1059 O THR A 71 1.075 3.938 -6.000 1.00 0.00 O ATOM 1060 CB THR A 71 0.753 1.391 -7.927 1.00 0.00 C ATOM 1061 OG1 THR A 71 0.416 2.393 -8.892 1.00 0.00 O ATOM 1062 CG2 THR A 71 0.212 0.043 -8.378 1.00 0.00 C ATOM 0 H THR A 71 -1.144 3.281 -7.143 1.00 0.00 H new ATOM 0 HA THR A 71 0.069 0.872 -5.948 1.00 0.00 H new ATOM 0 HB THR A 71 1.837 1.320 -7.842 1.00 0.00 H new ATOM 0 HG1 THR A 71 0.781 2.142 -9.766 1.00 0.00 H new ATOM 0 HG21 THR A 71 0.626 -0.207 -9.355 1.00 0.00 H new ATOM 0 HG22 THR A 71 0.496 -0.723 -7.657 1.00 0.00 H new ATOM 0 HG23 THR A 71 -0.875 0.091 -8.446 1.00 0.00 H new ATOM 1070 N LEU A 72 2.096 2.146 -5.101 1.00 0.00 N ATOM 1071 CA LEU A 72 3.092 2.936 -4.385 1.00 0.00 C ATOM 1072 C LEU A 72 4.504 2.465 -4.718 1.00 0.00 C ATOM 1073 O LEU A 72 4.849 1.304 -4.499 1.00 0.00 O ATOM 1074 CB LEU A 72 2.855 2.846 -2.876 1.00 0.00 C ATOM 1075 CG LEU A 72 3.855 3.593 -1.993 1.00 0.00 C ATOM 1076 CD1 LEU A 72 3.788 5.089 -2.258 1.00 0.00 C ATOM 1077 CD2 LEU A 72 3.595 3.297 -0.524 1.00 0.00 C ATOM 0 H LEU A 72 2.183 1.138 -4.970 1.00 0.00 H new ATOM 0 HA LEU A 72 2.991 3.974 -4.701 1.00 0.00 H new ATOM 0 HB2 LEU A 72 1.857 3.227 -2.662 1.00 0.00 H new ATOM 0 HB3 LEU A 72 2.863 1.794 -2.589 1.00 0.00 H new ATOM 0 HG LEU A 72 4.858 3.246 -2.240 1.00 0.00 H new ATOM 0 HD11 LEU A 72 4.507 5.604 -1.620 1.00 0.00 H new ATOM 0 HD12 LEU A 72 4.025 5.284 -3.304 1.00 0.00 H new ATOM 0 HD13 LEU A 72 2.784 5.453 -2.040 1.00 0.00 H new ATOM 0 HD21 LEU A 72 4.316 3.837 0.089 1.00 0.00 H new ATOM 0 HD22 LEU A 72 2.586 3.615 -0.262 1.00 0.00 H new ATOM 0 HD23 LEU A 72 3.696 2.227 -0.345 1.00 0.00 H new ATOM 1089 N ASN A 73 5.317 3.374 -5.246 1.00 0.00 N ATOM 1090 CA ASN A 73 6.692 3.051 -5.608 1.00 0.00 C ATOM 1091 C ASN A 73 7.677 3.734 -4.664 1.00 0.00 C ATOM 1092 O ASN A 73 7.484 4.887 -4.275 1.00 0.00 O ATOM 1093 CB ASN A 73 6.974 3.474 -7.051 1.00 0.00 C ATOM 1094 CG ASN A 73 6.709 2.358 -8.043 1.00 0.00 C ATOM 1095 OD1 ASN A 73 5.464 1.899 -8.098 1.00 0.00 O flip ATOM 1096 ND2 ASN A 73 7.613 1.914 -8.751 1.00 0.00 N flip ATOM 0 H ASN A 73 5.047 4.340 -5.433 1.00 0.00 H new ATOM 0 HA ASN A 73 6.821 1.972 -5.521 1.00 0.00 H new ATOM 0 HB2 ASN A 73 6.354 4.335 -7.302 1.00 0.00 H new ATOM 0 HB3 ASN A 73 8.013 3.794 -7.137 1.00 0.00 H new ATOM 0 HD21 ASN A 73 8.555 2.297 -8.675 1.00 0.00 H new ATOM 0 HD22 ASN A 73 7.420 1.163 -9.414 1.00 0.00 H new ATOM 1103 N LEU A 74 8.734 3.017 -4.301 1.00 0.00 N ATOM 1104 CA LEU A 74 9.751 3.553 -3.403 1.00 0.00 C ATOM 1105 C LEU A 74 11.126 3.536 -4.065 1.00 0.00 C ATOM 1106 O LEU A 74 11.333 2.857 -5.071 1.00 0.00 O ATOM 1107 CB LEU A 74 9.789 2.748 -2.104 1.00 0.00 C ATOM 1108 CG LEU A 74 8.876 3.242 -0.981 1.00 0.00 C ATOM 1109 CD1 LEU A 74 7.427 2.886 -1.274 1.00 0.00 C ATOM 1110 CD2 LEU A 74 9.311 2.659 0.356 1.00 0.00 C ATOM 0 H LEU A 74 8.910 2.062 -4.615 1.00 0.00 H new ATOM 0 HA LEU A 74 9.490 4.586 -3.175 1.00 0.00 H new ATOM 0 HB2 LEU A 74 9.525 1.715 -2.332 1.00 0.00 H new ATOM 0 HB3 LEU A 74 10.814 2.740 -1.735 1.00 0.00 H new ATOM 0 HG LEU A 74 8.957 4.328 -0.925 1.00 0.00 H new ATOM 0 HD11 LEU A 74 6.793 3.246 -0.464 1.00 0.00 H new ATOM 0 HD12 LEU A 74 7.120 3.353 -2.210 1.00 0.00 H new ATOM 0 HD13 LEU A 74 7.328 1.804 -1.359 1.00 0.00 H new ATOM 0 HD21 LEU A 74 8.650 3.021 1.143 1.00 0.00 H new ATOM 0 HD22 LEU A 74 9.261 1.571 0.312 1.00 0.00 H new ATOM 0 HD23 LEU A 74 10.334 2.966 0.571 1.00 0.00 H new ATOM 1122 N SER A 75 12.062 4.286 -3.493 1.00 0.00 N ATOM 1123 CA SER A 75 13.416 4.359 -4.028 1.00 0.00 C ATOM 1124 C SER A 75 14.433 4.558 -2.908 1.00 0.00 C ATOM 1125 O SER A 75 14.066 4.747 -1.749 1.00 0.00 O ATOM 1126 CB SER A 75 13.527 5.500 -5.041 1.00 0.00 C ATOM 1127 OG SER A 75 13.262 6.751 -4.430 1.00 0.00 O ATOM 0 H SER A 75 11.907 4.852 -2.659 1.00 0.00 H new ATOM 0 HA SER A 75 13.633 3.416 -4.529 1.00 0.00 H new ATOM 0 HB2 SER A 75 14.526 5.508 -5.476 1.00 0.00 H new ATOM 0 HB3 SER A 75 12.825 5.335 -5.858 1.00 0.00 H new ATOM 0 HG SER A 75 13.341 7.464 -5.097 1.00 0.00 H new ATOM 1133 N GLN A 76 15.713 4.513 -3.265 1.00 0.00 N ATOM 1134 CA GLN A 76 16.783 4.687 -2.290 1.00 0.00 C ATOM 1135 C GLN A 76 16.401 4.075 -0.946 1.00 0.00 C ATOM 1136 O GLN A 76 16.721 4.622 0.110 1.00 0.00 O ATOM 1137 CB GLN A 76 17.105 6.172 -2.115 1.00 0.00 C ATOM 1138 CG GLN A 76 17.927 6.755 -3.253 1.00 0.00 C ATOM 1139 CD GLN A 76 18.119 8.253 -3.127 1.00 0.00 C ATOM 1140 OE1 GLN A 76 19.247 8.742 -3.051 1.00 0.00 O ATOM 1141 NE2 GLN A 76 17.016 8.992 -3.103 1.00 0.00 N ATOM 0 H GLN A 76 16.034 4.358 -4.221 1.00 0.00 H new ATOM 0 HA GLN A 76 17.668 4.172 -2.664 1.00 0.00 H new ATOM 0 HB2 GLN A 76 16.172 6.730 -2.029 1.00 0.00 H new ATOM 0 HB3 GLN A 76 17.646 6.310 -1.179 1.00 0.00 H new ATOM 0 HG2 GLN A 76 18.902 6.269 -3.278 1.00 0.00 H new ATOM 0 HG3 GLN A 76 17.436 6.534 -4.201 1.00 0.00 H new ATOM 0 HE21 GLN A 76 16.101 8.545 -3.169 1.00 0.00 H new ATOM 0 HE22 GLN A 76 17.083 10.006 -3.019 1.00 0.00 H new ATOM 1150 N LEU A 77 15.714 2.939 -0.993 1.00 0.00 N ATOM 1151 CA LEU A 77 15.287 2.253 0.221 1.00 0.00 C ATOM 1152 C LEU A 77 16.479 1.636 0.946 1.00 0.00 C ATOM 1153 O LEU A 77 17.259 0.890 0.355 1.00 0.00 O ATOM 1154 CB LEU A 77 14.263 1.167 -0.116 1.00 0.00 C ATOM 1155 CG LEU A 77 12.810 1.628 -0.234 1.00 0.00 C ATOM 1156 CD1 LEU A 77 12.013 0.665 -1.101 1.00 0.00 C ATOM 1157 CD2 LEU A 77 12.178 1.757 1.144 1.00 0.00 C ATOM 0 H LEU A 77 15.441 2.474 -1.859 1.00 0.00 H new ATOM 0 HA LEU A 77 14.825 2.988 0.880 1.00 0.00 H new ATOM 0 HB2 LEU A 77 14.553 0.702 -1.058 1.00 0.00 H new ATOM 0 HB3 LEU A 77 14.317 0.394 0.651 1.00 0.00 H new ATOM 0 HG LEU A 77 12.797 2.608 -0.710 1.00 0.00 H new ATOM 0 HD11 LEU A 77 10.981 1.009 -1.174 1.00 0.00 H new ATOM 0 HD12 LEU A 77 12.453 0.624 -2.098 1.00 0.00 H new ATOM 0 HD13 LEU A 77 12.033 -0.329 -0.654 1.00 0.00 H new ATOM 0 HD21 LEU A 77 11.144 2.086 1.041 1.00 0.00 H new ATOM 0 HD22 LEU A 77 12.203 0.791 1.648 1.00 0.00 H new ATOM 0 HD23 LEU A 77 12.734 2.487 1.732 1.00 0.00 H new ATOM 1169 N SER A 78 16.612 1.952 2.230 1.00 0.00 N ATOM 1170 CA SER A 78 17.710 1.430 3.036 1.00 0.00 C ATOM 1171 C SER A 78 17.380 0.039 3.568 1.00 0.00 C ATOM 1172 O SER A 78 16.222 -0.378 3.573 1.00 0.00 O ATOM 1173 CB SER A 78 18.011 2.376 4.200 1.00 0.00 C ATOM 1174 OG SER A 78 19.378 2.317 4.565 1.00 0.00 O ATOM 0 H SER A 78 15.973 2.567 2.735 1.00 0.00 H new ATOM 0 HA SER A 78 18.592 1.357 2.400 1.00 0.00 H new ATOM 0 HB2 SER A 78 17.750 3.397 3.920 1.00 0.00 H new ATOM 0 HB3 SER A 78 17.391 2.112 5.057 1.00 0.00 H new ATOM 0 HG SER A 78 19.545 2.932 5.310 1.00 0.00 H new ATOM 1180 N VAL A 79 18.408 -0.676 4.015 1.00 0.00 N ATOM 1181 CA VAL A 79 18.228 -2.020 4.551 1.00 0.00 C ATOM 1182 C VAL A 79 17.419 -1.993 5.842 1.00 0.00 C ATOM 1183 O VAL A 79 17.949 -1.705 6.914 1.00 0.00 O ATOM 1184 CB VAL A 79 19.583 -2.701 4.821 1.00 0.00 C ATOM 1185 CG1 VAL A 79 19.376 -4.067 5.459 1.00 0.00 C ATOM 1186 CG2 VAL A 79 20.384 -2.822 3.534 1.00 0.00 C ATOM 0 H VAL A 79 19.373 -0.347 4.016 1.00 0.00 H new ATOM 0 HA VAL A 79 17.685 -2.592 3.798 1.00 0.00 H new ATOM 0 HB VAL A 79 20.149 -2.082 5.518 1.00 0.00 H new ATOM 0 HG11 VAL A 79 20.344 -4.533 5.643 1.00 0.00 H new ATOM 0 HG12 VAL A 79 18.844 -3.951 6.403 1.00 0.00 H new ATOM 0 HG13 VAL A 79 18.791 -4.697 4.789 1.00 0.00 H new ATOM 0 HG21 VAL A 79 21.338 -3.305 3.743 1.00 0.00 H new ATOM 0 HG22 VAL A 79 19.826 -3.419 2.813 1.00 0.00 H new ATOM 0 HG23 VAL A 79 20.563 -1.829 3.122 1.00 0.00 H new ATOM 1196 N GLY A 80 16.129 -2.297 5.732 1.00 0.00 N ATOM 1197 CA GLY A 80 15.266 -2.302 6.899 1.00 0.00 C ATOM 1198 C GLY A 80 13.841 -2.696 6.565 1.00 0.00 C ATOM 1199 O GLY A 80 13.514 -2.945 5.403 1.00 0.00 O ATOM 0 H GLY A 80 15.667 -2.540 4.856 1.00 0.00 H new ATOM 0 HA2 GLY A 80 15.667 -2.994 7.640 1.00 0.00 H new ATOM 0 HA3 GLY A 80 15.269 -1.311 7.353 1.00 0.00 H new ATOM 1203 N LEU A 81 12.991 -2.756 7.583 1.00 0.00 N ATOM 1204 CA LEU A 81 11.592 -3.124 7.392 1.00 0.00 C ATOM 1205 C LEU A 81 10.723 -1.885 7.208 1.00 0.00 C ATOM 1206 O LEU A 81 10.930 -0.865 7.866 1.00 0.00 O ATOM 1207 CB LEU A 81 11.091 -3.939 8.586 1.00 0.00 C ATOM 1208 CG LEU A 81 9.718 -4.592 8.424 1.00 0.00 C ATOM 1209 CD1 LEU A 81 9.757 -5.654 7.336 1.00 0.00 C ATOM 1210 CD2 LEU A 81 9.255 -5.194 9.743 1.00 0.00 C ATOM 0 H LEU A 81 13.245 -2.555 8.550 1.00 0.00 H new ATOM 0 HA LEU A 81 11.522 -3.731 6.490 1.00 0.00 H new ATOM 0 HB2 LEU A 81 11.820 -4.721 8.798 1.00 0.00 H new ATOM 0 HB3 LEU A 81 11.060 -3.286 9.459 1.00 0.00 H new ATOM 0 HG LEU A 81 9.004 -3.824 8.128 1.00 0.00 H new ATOM 0 HD11 LEU A 81 8.771 -6.108 7.235 1.00 0.00 H new ATOM 0 HD12 LEU A 81 10.044 -5.195 6.390 1.00 0.00 H new ATOM 0 HD13 LEU A 81 10.484 -6.421 7.602 1.00 0.00 H new ATOM 0 HD21 LEU A 81 8.276 -5.654 9.609 1.00 0.00 H new ATOM 0 HD22 LEU A 81 9.970 -5.950 10.069 1.00 0.00 H new ATOM 0 HD23 LEU A 81 9.187 -4.410 10.497 1.00 0.00 H new ATOM 1222 N TYR A 82 9.748 -1.981 6.310 1.00 0.00 N ATOM 1223 CA TYR A 82 8.847 -0.867 6.039 1.00 0.00 C ATOM 1224 C TYR A 82 7.418 -1.361 5.832 1.00 0.00 C ATOM 1225 O TYR A 82 7.109 -2.002 4.828 1.00 0.00 O ATOM 1226 CB TYR A 82 9.315 -0.094 4.804 1.00 0.00 C ATOM 1227 CG TYR A 82 10.773 0.303 4.855 1.00 0.00 C ATOM 1228 CD1 TYR A 82 11.191 1.392 5.608 1.00 0.00 C ATOM 1229 CD2 TYR A 82 11.732 -0.414 4.150 1.00 0.00 C ATOM 1230 CE1 TYR A 82 12.522 1.759 5.657 1.00 0.00 C ATOM 1231 CE2 TYR A 82 13.066 -0.055 4.194 1.00 0.00 C ATOM 1232 CZ TYR A 82 13.456 1.032 4.948 1.00 0.00 C ATOM 1233 OH TYR A 82 14.783 1.393 4.995 1.00 0.00 O ATOM 0 H TYR A 82 9.562 -2.818 5.758 1.00 0.00 H new ATOM 0 HA TYR A 82 8.861 -0.202 6.903 1.00 0.00 H new ATOM 0 HB2 TYR A 82 9.144 -0.704 3.917 1.00 0.00 H new ATOM 0 HB3 TYR A 82 8.706 0.804 4.695 1.00 0.00 H new ATOM 0 HD1 TYR A 82 10.463 1.962 6.165 1.00 0.00 H new ATOM 0 HD2 TYR A 82 11.430 -1.265 3.558 1.00 0.00 H new ATOM 0 HE1 TYR A 82 12.830 2.610 6.247 1.00 0.00 H new ATOM 0 HE2 TYR A 82 13.799 -0.623 3.641 1.00 0.00 H new ATOM 0 HH TYR A 82 15.263 0.970 4.253 1.00 0.00 H new ATOM 1243 N VAL A 83 6.549 -1.056 6.791 1.00 0.00 N ATOM 1244 CA VAL A 83 5.152 -1.466 6.716 1.00 0.00 C ATOM 1245 C VAL A 83 4.262 -0.307 6.283 1.00 0.00 C ATOM 1246 O VAL A 83 3.969 0.593 7.071 1.00 0.00 O ATOM 1247 CB VAL A 83 4.652 -2.006 8.069 1.00 0.00 C ATOM 1248 CG1 VAL A 83 3.185 -2.399 7.977 1.00 0.00 C ATOM 1249 CG2 VAL A 83 5.502 -3.185 8.519 1.00 0.00 C ATOM 0 H VAL A 83 6.788 -0.526 7.629 1.00 0.00 H new ATOM 0 HA VAL A 83 5.095 -2.261 5.973 1.00 0.00 H new ATOM 0 HB VAL A 83 4.746 -1.216 8.814 1.00 0.00 H new ATOM 0 HG11 VAL A 83 2.849 -2.778 8.942 1.00 0.00 H new ATOM 0 HG12 VAL A 83 2.591 -1.527 7.703 1.00 0.00 H new ATOM 0 HG13 VAL A 83 3.063 -3.174 7.220 1.00 0.00 H new ATOM 0 HG21 VAL A 83 5.135 -3.554 9.477 1.00 0.00 H new ATOM 0 HG22 VAL A 83 5.442 -3.981 7.777 1.00 0.00 H new ATOM 0 HG23 VAL A 83 6.539 -2.866 8.627 1.00 0.00 H new ATOM 1259 N PHE A 84 3.834 -0.334 5.025 1.00 0.00 N ATOM 1260 CA PHE A 84 2.977 0.715 4.486 1.00 0.00 C ATOM 1261 C PHE A 84 1.507 0.313 4.570 1.00 0.00 C ATOM 1262 O PHE A 84 1.136 -0.806 4.216 1.00 0.00 O ATOM 1263 CB PHE A 84 3.353 1.015 3.034 1.00 0.00 C ATOM 1264 CG PHE A 84 4.831 0.958 2.774 1.00 0.00 C ATOM 1265 CD1 PHE A 84 5.654 2.009 3.146 1.00 0.00 C ATOM 1266 CD2 PHE A 84 5.398 -0.146 2.158 1.00 0.00 C ATOM 1267 CE1 PHE A 84 7.015 1.959 2.907 1.00 0.00 C ATOM 1268 CE2 PHE A 84 6.758 -0.201 1.917 1.00 0.00 C ATOM 1269 CZ PHE A 84 7.567 0.852 2.293 1.00 0.00 C ATOM 0 H PHE A 84 4.067 -1.071 4.360 1.00 0.00 H new ATOM 0 HA PHE A 84 3.125 1.614 5.085 1.00 0.00 H new ATOM 0 HB2 PHE A 84 2.850 0.301 2.382 1.00 0.00 H new ATOM 0 HB3 PHE A 84 2.983 2.005 2.768 1.00 0.00 H new ATOM 0 HD1 PHE A 84 5.228 2.877 3.628 1.00 0.00 H new ATOM 0 HD2 PHE A 84 4.770 -0.973 1.863 1.00 0.00 H new ATOM 0 HE1 PHE A 84 7.646 2.785 3.200 1.00 0.00 H new ATOM 0 HE2 PHE A 84 7.187 -1.067 1.435 1.00 0.00 H new ATOM 0 HZ PHE A 84 8.630 0.810 2.107 1.00 0.00 H new ATOM 1279 N LYS A 85 0.674 1.235 5.041 1.00 0.00 N ATOM 1280 CA LYS A 85 -0.756 0.979 5.172 1.00 0.00 C ATOM 1281 C LYS A 85 -1.554 1.841 4.199 1.00 0.00 C ATOM 1282 O LYS A 85 -1.523 3.070 4.274 1.00 0.00 O ATOM 1283 CB LYS A 85 -1.215 1.252 6.606 1.00 0.00 C ATOM 1284 CG LYS A 85 -2.717 1.430 6.741 1.00 0.00 C ATOM 1285 CD LYS A 85 -3.119 1.709 8.179 1.00 0.00 C ATOM 1286 CE LYS A 85 -3.018 3.191 8.508 1.00 0.00 C ATOM 1287 NZ LYS A 85 -4.286 3.913 8.209 1.00 0.00 N ATOM 0 H LYS A 85 0.964 2.166 5.338 1.00 0.00 H new ATOM 0 HA LYS A 85 -0.935 -0.069 4.933 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -0.897 0.427 7.244 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -0.717 2.149 6.973 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -3.045 2.252 6.105 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -3.224 0.532 6.388 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -4.140 1.367 8.345 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -2.479 1.141 8.854 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -2.771 3.313 9.563 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -2.203 3.635 7.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -4.188 4.913 8.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -4.492 3.847 7.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -5.065 3.484 8.748 1.00 0.00 H new ATOM 1301 N VAL A 86 -2.269 1.190 3.287 1.00 0.00 N ATOM 1302 CA VAL A 86 -3.077 1.897 2.301 1.00 0.00 C ATOM 1303 C VAL A 86 -4.512 2.065 2.786 1.00 0.00 C ATOM 1304 O VAL A 86 -5.310 1.129 2.738 1.00 0.00 O ATOM 1305 CB VAL A 86 -3.087 1.158 0.949 1.00 0.00 C ATOM 1306 CG1 VAL A 86 -3.180 -0.345 1.163 1.00 0.00 C ATOM 1307 CG2 VAL A 86 -4.232 1.654 0.080 1.00 0.00 C ATOM 0 H VAL A 86 -2.305 0.173 3.211 1.00 0.00 H new ATOM 0 HA VAL A 86 -2.624 2.879 2.166 1.00 0.00 H new ATOM 0 HB VAL A 86 -2.151 1.369 0.431 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -3.186 -0.850 0.197 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -2.322 -0.683 1.744 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -4.099 -0.580 1.701 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -4.224 1.121 -0.871 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -5.179 1.474 0.589 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -4.115 2.722 -0.101 1.00 0.00 H new ATOM 1317 N THR A 87 -4.836 3.267 3.253 1.00 0.00 N ATOM 1318 CA THR A 87 -6.176 3.559 3.748 1.00 0.00 C ATOM 1319 C THR A 87 -7.108 3.954 2.609 1.00 0.00 C ATOM 1320 O THR A 87 -7.005 5.052 2.061 1.00 0.00 O ATOM 1321 CB THR A 87 -6.154 4.690 4.794 1.00 0.00 C ATOM 1322 OG1 THR A 87 -5.018 4.540 5.654 1.00 0.00 O ATOM 1323 CG2 THR A 87 -7.429 4.684 5.624 1.00 0.00 C ATOM 0 H THR A 87 -4.189 4.054 3.299 1.00 0.00 H new ATOM 0 HA THR A 87 -6.546 2.647 4.217 1.00 0.00 H new ATOM 0 HB THR A 87 -6.087 5.642 4.267 1.00 0.00 H new ATOM 0 HG1 THR A 87 -4.823 5.396 6.090 1.00 0.00 H new ATOM 0 HG21 THR A 87 -7.391 5.491 6.356 1.00 0.00 H new ATOM 0 HG22 THR A 87 -8.289 4.827 4.970 1.00 0.00 H new ATOM 0 HG23 THR A 87 -7.522 3.729 6.142 1.00 0.00 H new ATOM 1331 N VAL A 88 -8.020 3.053 2.257 1.00 0.00 N ATOM 1332 CA VAL A 88 -8.973 3.308 1.184 1.00 0.00 C ATOM 1333 C VAL A 88 -10.406 3.273 1.701 1.00 0.00 C ATOM 1334 O VAL A 88 -10.900 2.226 2.121 1.00 0.00 O ATOM 1335 CB VAL A 88 -8.824 2.282 0.045 1.00 0.00 C ATOM 1336 CG1 VAL A 88 -9.857 2.537 -1.042 1.00 0.00 C ATOM 1337 CG2 VAL A 88 -7.415 2.322 -0.527 1.00 0.00 C ATOM 0 H VAL A 88 -8.119 2.139 2.700 1.00 0.00 H new ATOM 0 HA VAL A 88 -8.754 4.303 0.797 1.00 0.00 H new ATOM 0 HB VAL A 88 -8.998 1.286 0.452 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -9.736 1.802 -1.838 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -10.858 2.453 -0.619 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -9.718 3.539 -1.448 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -7.328 1.591 -1.331 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -7.210 3.318 -0.919 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -6.697 2.086 0.258 1.00 0.00 H new ATOM 1347 N SER A 89 -11.071 4.423 1.669 1.00 0.00 N ATOM 1348 CA SER A 89 -12.448 4.525 2.138 1.00 0.00 C ATOM 1349 C SER A 89 -13.314 5.263 1.122 1.00 0.00 C ATOM 1350 O SER A 89 -12.814 6.048 0.317 1.00 0.00 O ATOM 1351 CB SER A 89 -12.497 5.245 3.487 1.00 0.00 C ATOM 1352 OG SER A 89 -11.884 6.520 3.407 1.00 0.00 O ATOM 0 H SER A 89 -10.678 5.298 1.323 1.00 0.00 H new ATOM 0 HA SER A 89 -12.841 3.516 2.259 1.00 0.00 H new ATOM 0 HB2 SER A 89 -13.533 5.356 3.806 1.00 0.00 H new ATOM 0 HB3 SER A 89 -11.993 4.643 4.243 1.00 0.00 H new ATOM 0 HG SER A 89 -11.930 6.960 4.281 1.00 0.00 H new ATOM 1358 N SER A 90 -14.618 5.004 1.167 1.00 0.00 N ATOM 1359 CA SER A 90 -15.555 5.640 0.249 1.00 0.00 C ATOM 1360 C SER A 90 -16.556 6.506 1.008 1.00 0.00 C ATOM 1361 O SER A 90 -16.458 6.664 2.224 1.00 0.00 O ATOM 1362 CB SER A 90 -16.297 4.582 -0.570 1.00 0.00 C ATOM 1363 OG SER A 90 -16.666 5.088 -1.842 1.00 0.00 O ATOM 0 H SER A 90 -15.048 4.359 1.829 1.00 0.00 H new ATOM 0 HA SER A 90 -14.986 6.279 -0.426 1.00 0.00 H new ATOM 0 HB2 SER A 90 -15.664 3.704 -0.694 1.00 0.00 H new ATOM 0 HB3 SER A 90 -17.188 4.259 -0.031 1.00 0.00 H new ATOM 0 HG SER A 90 -16.401 4.450 -2.537 1.00 0.00 H new ATOM 1369 N GLU A 91 -17.519 7.063 0.280 1.00 0.00 N ATOM 1370 CA GLU A 91 -18.538 7.913 0.884 1.00 0.00 C ATOM 1371 C GLU A 91 -19.274 7.173 1.997 1.00 0.00 C ATOM 1372 O GLU A 91 -19.428 7.689 3.104 1.00 0.00 O ATOM 1373 CB GLU A 91 -19.535 8.385 -0.176 1.00 0.00 C ATOM 1374 CG GLU A 91 -20.192 7.248 -0.942 1.00 0.00 C ATOM 1375 CD GLU A 91 -20.634 7.661 -2.332 1.00 0.00 C ATOM 1376 OE1 GLU A 91 -21.277 8.723 -2.460 1.00 0.00 O ATOM 1377 OE2 GLU A 91 -20.337 6.920 -3.293 1.00 0.00 O ATOM 0 H GLU A 91 -17.615 6.941 -0.728 1.00 0.00 H new ATOM 0 HA GLU A 91 -18.040 8.781 1.316 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -20.309 8.983 0.306 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -19.021 9.038 -0.881 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -19.493 6.415 -1.019 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -21.055 6.889 -0.382 1.00 0.00 H new ATOM 1384 N ASN A 92 -19.727 5.961 1.695 1.00 0.00 N ATOM 1385 CA ASN A 92 -20.448 5.149 2.669 1.00 0.00 C ATOM 1386 C ASN A 92 -19.704 3.848 2.949 1.00 0.00 C ATOM 1387 O ASN A 92 -20.316 2.790 3.094 1.00 0.00 O ATOM 1388 CB ASN A 92 -21.860 4.844 2.164 1.00 0.00 C ATOM 1389 CG ASN A 92 -21.898 4.599 0.668 1.00 0.00 C ATOM 1390 OD1 ASN A 92 -21.084 3.850 0.129 1.00 0.00 O ATOM 1391 ND2 ASN A 92 -22.848 5.232 -0.011 1.00 0.00 N ATOM 0 H ASN A 92 -19.608 5.519 0.783 1.00 0.00 H new ATOM 0 HA ASN A 92 -20.516 5.715 3.598 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -22.247 3.967 2.683 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -22.519 5.677 2.410 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -22.923 5.106 -1.020 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -23.502 5.844 0.477 1.00 0.00 H new ATOM 1398 N ALA A 93 -18.380 3.934 3.026 1.00 0.00 N ATOM 1399 CA ALA A 93 -17.552 2.764 3.292 1.00 0.00 C ATOM 1400 C ALA A 93 -16.164 3.172 3.772 1.00 0.00 C ATOM 1401 O ALA A 93 -15.793 4.344 3.708 1.00 0.00 O ATOM 1402 CB ALA A 93 -17.448 1.897 2.046 1.00 0.00 C ATOM 0 H ALA A 93 -17.858 4.802 2.908 1.00 0.00 H new ATOM 0 HA ALA A 93 -18.027 2.186 4.085 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -16.827 1.027 2.259 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -18.443 1.568 1.748 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -16.999 2.474 1.238 1.00 0.00 H new ATOM 1408 N PHE A 94 -15.400 2.197 4.255 1.00 0.00 N ATOM 1409 CA PHE A 94 -14.052 2.455 4.749 1.00 0.00 C ATOM 1410 C PHE A 94 -13.229 1.171 4.778 1.00 0.00 C ATOM 1411 O PHE A 94 -13.730 0.107 5.138 1.00 0.00 O ATOM 1412 CB PHE A 94 -14.108 3.071 6.148 1.00 0.00 C ATOM 1413 CG PHE A 94 -12.776 3.554 6.644 1.00 0.00 C ATOM 1414 CD1 PHE A 94 -11.877 2.674 7.226 1.00 0.00 C ATOM 1415 CD2 PHE A 94 -12.421 4.889 6.528 1.00 0.00 C ATOM 1416 CE1 PHE A 94 -10.651 3.117 7.684 1.00 0.00 C ATOM 1417 CE2 PHE A 94 -11.195 5.337 6.983 1.00 0.00 C ATOM 1418 CZ PHE A 94 -10.309 4.450 7.561 1.00 0.00 C ATOM 0 H PHE A 94 -15.691 1.221 4.315 1.00 0.00 H new ATOM 0 HA PHE A 94 -13.571 3.158 4.069 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -14.809 3.906 6.141 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -14.500 2.332 6.846 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -12.138 1.630 7.323 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -13.110 5.587 6.077 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -9.960 2.422 8.138 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -10.931 6.380 6.886 1.00 0.00 H new ATOM 0 HZ PHE A 94 -9.350 4.797 7.916 1.00 0.00 H new ATOM 1428 N GLY A 95 -11.960 1.280 4.396 1.00 0.00 N ATOM 1429 CA GLY A 95 -11.086 0.121 4.385 1.00 0.00 C ATOM 1430 C GLY A 95 -9.623 0.497 4.506 1.00 0.00 C ATOM 1431 O GLY A 95 -9.239 1.626 4.205 1.00 0.00 O ATOM 0 H GLY A 95 -11.522 2.150 4.094 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -11.357 -0.542 5.207 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -11.239 -0.437 3.461 1.00 0.00 H new ATOM 1435 N GLU A 96 -8.804 -0.452 4.949 1.00 0.00 N ATOM 1436 CA GLU A 96 -7.375 -0.213 5.111 1.00 0.00 C ATOM 1437 C GLU A 96 -6.579 -1.495 4.882 1.00 0.00 C ATOM 1438 O GLU A 96 -7.032 -2.588 5.218 1.00 0.00 O ATOM 1439 CB GLU A 96 -7.083 0.339 6.508 1.00 0.00 C ATOM 1440 CG GLU A 96 -7.933 1.544 6.876 1.00 0.00 C ATOM 1441 CD GLU A 96 -7.657 2.045 8.281 1.00 0.00 C ATOM 1442 OE1 GLU A 96 -7.155 1.253 9.106 1.00 0.00 O ATOM 1443 OE2 GLU A 96 -7.942 3.229 8.554 1.00 0.00 O ATOM 0 H GLU A 96 -9.106 -1.393 5.202 1.00 0.00 H new ATOM 0 HA GLU A 96 -7.069 0.522 4.366 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -7.248 -0.449 7.243 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -6.030 0.616 6.568 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -7.745 2.348 6.164 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -8.987 1.281 6.789 1.00 0.00 H new ATOM 1450 N GLY A 97 -5.389 -1.351 4.307 1.00 0.00 N ATOM 1451 CA GLY A 97 -4.549 -2.505 4.042 1.00 0.00 C ATOM 1452 C GLY A 97 -3.246 -2.463 4.815 1.00 0.00 C ATOM 1453 O GLY A 97 -2.968 -1.496 5.525 1.00 0.00 O ATOM 0 H GLY A 97 -4.992 -0.457 4.020 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -5.093 -3.413 4.301 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -4.333 -2.556 2.975 1.00 0.00 H new ATOM 1457 N PHE A 98 -2.446 -3.515 4.679 1.00 0.00 N ATOM 1458 CA PHE A 98 -1.166 -3.596 5.373 1.00 0.00 C ATOM 1459 C PHE A 98 -0.162 -4.417 4.569 1.00 0.00 C ATOM 1460 O PHE A 98 -0.394 -5.590 4.278 1.00 0.00 O ATOM 1461 CB PHE A 98 -1.351 -4.213 6.761 1.00 0.00 C ATOM 1462 CG PHE A 98 -2.061 -3.310 7.729 1.00 0.00 C ATOM 1463 CD1 PHE A 98 -3.442 -3.330 7.830 1.00 0.00 C ATOM 1464 CD2 PHE A 98 -1.346 -2.442 8.538 1.00 0.00 C ATOM 1465 CE1 PHE A 98 -4.097 -2.499 8.720 1.00 0.00 C ATOM 1466 CE2 PHE A 98 -1.995 -1.609 9.430 1.00 0.00 C ATOM 1467 CZ PHE A 98 -3.373 -1.639 9.521 1.00 0.00 C ATOM 0 H PHE A 98 -2.661 -4.323 4.095 1.00 0.00 H new ATOM 0 HA PHE A 98 -0.777 -2.584 5.482 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -1.912 -5.142 6.665 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -0.374 -4.472 7.168 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -4.014 -4.002 7.207 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -0.268 -2.416 8.471 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -5.175 -2.523 8.788 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -1.426 -0.936 10.054 1.00 0.00 H new ATOM 0 HZ PHE A 98 -3.883 -0.991 10.218 1.00 0.00 H new ATOM 1477 N VAL A 99 0.955 -3.791 4.212 1.00 0.00 N ATOM 1478 CA VAL A 99 1.995 -4.462 3.442 1.00 0.00 C ATOM 1479 C VAL A 99 3.384 -4.038 3.907 1.00 0.00 C ATOM 1480 O VAL A 99 3.658 -2.850 4.071 1.00 0.00 O ATOM 1481 CB VAL A 99 1.857 -4.168 1.937 1.00 0.00 C ATOM 1482 CG1 VAL A 99 2.338 -2.760 1.621 1.00 0.00 C ATOM 1483 CG2 VAL A 99 2.624 -5.198 1.120 1.00 0.00 C ATOM 0 H VAL A 99 1.163 -2.820 4.444 1.00 0.00 H new ATOM 0 HA VAL A 99 1.871 -5.532 3.608 1.00 0.00 H new ATOM 0 HB VAL A 99 0.803 -4.235 1.667 1.00 0.00 H new ATOM 0 HG11 VAL A 99 2.233 -2.571 0.553 1.00 0.00 H new ATOM 0 HG12 VAL A 99 1.741 -2.038 2.178 1.00 0.00 H new ATOM 0 HG13 VAL A 99 3.386 -2.661 1.905 1.00 0.00 H new ATOM 0 HG21 VAL A 99 2.515 -4.975 0.059 1.00 0.00 H new ATOM 0 HG22 VAL A 99 3.679 -5.165 1.392 1.00 0.00 H new ATOM 0 HG23 VAL A 99 2.228 -6.193 1.324 1.00 0.00 H new ATOM 1493 N ASN A 100 4.257 -5.017 4.116 1.00 0.00 N ATOM 1494 CA ASN A 100 5.619 -4.745 4.561 1.00 0.00 C ATOM 1495 C ASN A 100 6.630 -5.124 3.484 1.00 0.00 C ATOM 1496 O ASN A 100 6.384 -6.017 2.673 1.00 0.00 O ATOM 1497 CB ASN A 100 5.919 -5.513 5.850 1.00 0.00 C ATOM 1498 CG ASN A 100 6.240 -6.972 5.593 1.00 0.00 C ATOM 1499 OD1 ASN A 100 5.973 -7.497 4.511 1.00 0.00 O ATOM 1500 ND2 ASN A 100 6.817 -7.636 6.588 1.00 0.00 N ATOM 0 H ASN A 100 4.046 -6.006 3.984 1.00 0.00 H new ATOM 0 HA ASN A 100 5.704 -3.676 4.754 1.00 0.00 H new ATOM 0 HB2 ASN A 100 6.759 -5.044 6.362 1.00 0.00 H new ATOM 0 HB3 ASN A 100 5.060 -5.445 6.518 1.00 0.00 H new ATOM 0 HD21 ASN A 100 7.057 -8.621 6.473 1.00 0.00 H new ATOM 0 HD22 ASN A 100 7.020 -7.161 7.468 1.00 0.00 H new ATOM 1507 N VAL A 101 7.769 -4.438 3.482 1.00 0.00 N ATOM 1508 CA VAL A 101 8.819 -4.703 2.505 1.00 0.00 C ATOM 1509 C VAL A 101 10.193 -4.715 3.165 1.00 0.00 C ATOM 1510 O VAL A 101 10.534 -3.814 3.932 1.00 0.00 O ATOM 1511 CB VAL A 101 8.813 -3.656 1.376 1.00 0.00 C ATOM 1512 CG1 VAL A 101 9.935 -3.931 0.386 1.00 0.00 C ATOM 1513 CG2 VAL A 101 7.464 -3.638 0.674 1.00 0.00 C ATOM 0 H VAL A 101 7.988 -3.695 4.146 1.00 0.00 H new ATOM 0 HA VAL A 101 8.615 -5.686 2.080 1.00 0.00 H new ATOM 0 HB VAL A 101 8.982 -2.673 1.815 1.00 0.00 H new ATOM 0 HG11 VAL A 101 9.915 -3.181 -0.405 1.00 0.00 H new ATOM 0 HG12 VAL A 101 10.894 -3.888 0.902 1.00 0.00 H new ATOM 0 HG13 VAL A 101 9.801 -4.921 -0.050 1.00 0.00 H new ATOM 0 HG21 VAL A 101 7.477 -2.892 -0.121 1.00 0.00 H new ATOM 0 HG22 VAL A 101 7.263 -4.620 0.247 1.00 0.00 H new ATOM 0 HG23 VAL A 101 6.683 -3.388 1.392 1.00 0.00 H new ATOM 1523 N THR A 102 10.981 -5.743 2.862 1.00 0.00 N ATOM 1524 CA THR A 102 12.318 -5.873 3.426 1.00 0.00 C ATOM 1525 C THR A 102 13.388 -5.618 2.370 1.00 0.00 C ATOM 1526 O THR A 102 13.261 -6.055 1.226 1.00 0.00 O ATOM 1527 CB THR A 102 12.537 -7.270 4.036 1.00 0.00 C ATOM 1528 OG1 THR A 102 11.534 -7.537 5.023 1.00 0.00 O ATOM 1529 CG2 THR A 102 13.917 -7.375 4.668 1.00 0.00 C ATOM 0 H THR A 102 10.715 -6.497 2.229 1.00 0.00 H new ATOM 0 HA THR A 102 12.403 -5.124 4.213 1.00 0.00 H new ATOM 0 HB THR A 102 12.464 -8.006 3.236 1.00 0.00 H new ATOM 0 HG1 THR A 102 11.680 -8.428 5.405 1.00 0.00 H new ATOM 0 HG21 THR A 102 14.048 -8.371 5.092 1.00 0.00 H new ATOM 0 HG22 THR A 102 14.679 -7.201 3.909 1.00 0.00 H new ATOM 0 HG23 THR A 102 14.014 -6.629 5.457 1.00 0.00 H new ATOM 1537 N VAL A 103 14.442 -4.910 2.761 1.00 0.00 N ATOM 1538 CA VAL A 103 15.535 -4.599 1.848 1.00 0.00 C ATOM 1539 C VAL A 103 16.845 -5.212 2.330 1.00 0.00 C ATOM 1540 O VAL A 103 17.450 -4.736 3.291 1.00 0.00 O ATOM 1541 CB VAL A 103 15.720 -3.078 1.691 1.00 0.00 C ATOM 1542 CG1 VAL A 103 16.949 -2.773 0.848 1.00 0.00 C ATOM 1543 CG2 VAL A 103 14.476 -2.450 1.081 1.00 0.00 C ATOM 0 H VAL A 103 14.562 -4.541 3.704 1.00 0.00 H new ATOM 0 HA VAL A 103 15.271 -5.027 0.881 1.00 0.00 H new ATOM 0 HB VAL A 103 15.871 -2.644 2.680 1.00 0.00 H new ATOM 0 HG11 VAL A 103 17.063 -1.694 0.748 1.00 0.00 H new ATOM 0 HG12 VAL A 103 17.834 -3.188 1.331 1.00 0.00 H new ATOM 0 HG13 VAL A 103 16.832 -3.218 -0.140 1.00 0.00 H new ATOM 0 HG21 VAL A 103 14.624 -1.375 0.977 1.00 0.00 H new ATOM 0 HG22 VAL A 103 14.292 -2.887 0.100 1.00 0.00 H new ATOM 0 HG23 VAL A 103 13.619 -2.637 1.728 1.00 0.00 H new ATOM 1553 N LYS A 104 17.280 -6.271 1.655 1.00 0.00 N ATOM 1554 CA LYS A 104 18.520 -6.950 2.012 1.00 0.00 C ATOM 1555 C LYS A 104 19.731 -6.174 1.504 1.00 0.00 C ATOM 1556 O LYS A 104 19.669 -5.471 0.495 1.00 0.00 O ATOM 1557 CB LYS A 104 18.532 -8.369 1.438 1.00 0.00 C ATOM 1558 CG LYS A 104 17.324 -9.198 1.839 1.00 0.00 C ATOM 1559 CD LYS A 104 17.478 -9.765 3.241 1.00 0.00 C ATOM 1560 CE LYS A 104 16.544 -10.943 3.471 1.00 0.00 C ATOM 1561 NZ LYS A 104 17.172 -12.234 3.077 1.00 0.00 N ATOM 0 H LYS A 104 16.792 -6.678 0.857 1.00 0.00 H new ATOM 0 HA LYS A 104 18.576 -7.004 3.099 1.00 0.00 H new ATOM 0 HB2 LYS A 104 18.578 -8.312 0.350 1.00 0.00 H new ATOM 0 HB3 LYS A 104 19.437 -8.878 1.769 1.00 0.00 H new ATOM 0 HG2 LYS A 104 16.426 -8.582 1.791 1.00 0.00 H new ATOM 0 HG3 LYS A 104 17.189 -10.013 1.128 1.00 0.00 H new ATOM 0 HD2 LYS A 104 18.510 -10.082 3.395 1.00 0.00 H new ATOM 0 HD3 LYS A 104 17.270 -8.986 3.975 1.00 0.00 H new ATOM 0 HE2 LYS A 104 16.262 -10.983 4.523 1.00 0.00 H new ATOM 0 HE3 LYS A 104 15.627 -10.796 2.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 16.504 -13.012 3.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 17.418 -12.206 2.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 18.033 -12.387 3.639 1.00 0.00 H new ATOM 1575 N PRO A 105 20.860 -6.305 2.216 1.00 0.00 N ATOM 1576 CA PRO A 105 22.107 -5.625 1.854 1.00 0.00 C ATOM 1577 C PRO A 105 22.728 -6.191 0.582 1.00 0.00 C ATOM 1578 O PRO A 105 22.388 -7.293 0.151 1.00 0.00 O ATOM 1579 CB PRO A 105 23.017 -5.889 3.056 1.00 0.00 C ATOM 1580 CG PRO A 105 22.491 -7.146 3.660 1.00 0.00 C ATOM 1581 CD PRO A 105 21.006 -7.127 3.429 1.00 0.00 C ATOM 0 HA PRO A 105 21.948 -4.567 1.646 1.00 0.00 H new ATOM 0 HB2 PRO A 105 24.057 -6.002 2.748 1.00 0.00 H new ATOM 0 HB3 PRO A 105 22.983 -5.064 3.767 1.00 0.00 H new ATOM 0 HG2 PRO A 105 22.947 -8.022 3.197 1.00 0.00 H new ATOM 0 HG3 PRO A 105 22.720 -7.193 4.725 1.00 0.00 H new ATOM 0 HD2 PRO A 105 20.609 -8.132 3.284 1.00 0.00 H new ATOM 0 HD3 PRO A 105 20.473 -6.693 4.275 1.00 0.00 H new ATOM 1589 N ALA A 106 23.640 -5.431 -0.015 1.00 0.00 N ATOM 1590 CA ALA A 106 24.310 -5.859 -1.237 1.00 0.00 C ATOM 1591 C ALA A 106 25.471 -6.798 -0.926 1.00 0.00 C ATOM 1592 O ALA A 106 26.445 -6.405 -0.284 1.00 0.00 O ATOM 1593 CB ALA A 106 24.801 -4.651 -2.020 1.00 0.00 C ATOM 0 H ALA A 106 23.932 -4.516 0.328 1.00 0.00 H new ATOM 0 HA ALA A 106 23.589 -6.404 -1.846 1.00 0.00 H new ATOM 0 HB1 ALA A 106 25.299 -4.985 -2.930 1.00 0.00 H new ATOM 0 HB2 ALA A 106 23.953 -4.018 -2.282 1.00 0.00 H new ATOM 0 HB3 ALA A 106 25.503 -4.083 -1.410 1.00 0.00 H new