USER MOD reduce.3.24.130724 H: found=0, std=0, add=886, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 888 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 133 SER OG : rot -38:sc= 0.67 USER MOD Set 1.2: A 137 GLN : amide:sc= -1.72 K(o=-1.1,f=0.67) USER MOD Set 2.1: A 23 ASN : amide:sc= -1.79 K(o=-2.5,f=-3.4!) USER MOD Set 2.2: A 92 SER OG : rot 141:sc= -0.693! USER MOD Set 3.1: A 49 GLN : amide:sc= -0.388 K(o=-0.39,f=-1) USER MOD Set 3.2: A 58 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 14 SER OG : rot -56:sc= 0.0815 USER MOD Set 4.2: A 104 ASN : amide:sc= 0.0634 X(o=0.14,f=-0.26) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -0.616 K(o=-0.62,f=-2.4) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot -121:sc= 1.23 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 105:sc= 0.772 USER MOD Single : A 40 SER OG : rot -79:sc= 0.157 USER MOD Single : A 41 GLN : amide:sc= -0.983 K(o=-0.98,f=-3.7!) USER MOD Single : A 42 GLN : amide:sc= -0.216 X(o=-0.22,f=-0.59) USER MOD Single : A 45 SER OG : rot -17:sc= 1.23 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= -4.09! C(o=-4.1!,f=-1.3!) USER MOD Single : A 54 SER OG : rot 180:sc= 0.0816 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -0.732! C(o=-0.73!,f=-11!) USER MOD Single : A 65 ASN : amide:sc= -3.87! C(o=-3.9!,f=-7.8!) USER MOD Single : A 72 GLN : amide:sc= 0.36 K(o=0.36,f=-0.61) USER MOD Single : A 75 SER OG : rot -33:sc= 0.00189 USER MOD Single : A 86 TYR OH : rot 30:sc= -3.51! USER MOD Single : A 88 GLN : amide:sc= -0.248 K(o=-0.25,f=-2.3) USER MOD Single : A 91 SER OG : rot 105:sc= 0.439 USER MOD Single : A 96 ASN : amide:sc= -1.45 K(o=-1.4,f=-6.4!) USER MOD Single : A 101 ASN : amide:sc= -0.415 K(o=-0.42,f=-6.1!) USER MOD Single : A 103 SER OG : rot 180:sc= 0.0222 USER MOD Single : A 107 THR OG1 : rot 97:sc= 1.22 USER MOD Single : A 110 SER OG : rot -160:sc= 0.903 USER MOD Single : A 114 SER OG : rot -17:sc= -0.0343 USER MOD Single : A 118 ASN : amide:sc= -0.0496 K(o=-0.05,f=-0.86) USER MOD Single : A 121 SER OG : rot 180:sc=0.000843 USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 125 GLN : amide:sc= -0.151 X(o=-0.15,f=0) USER MOD Single : A 130 ASN : amide:sc= -0.0224 K(o=-0.022,f=-1.1) USER MOD Single : A 135 SER OG : rot 180:sc= 0 USER MOD Single : A 138 SER OG : rot 132:sc= 1.25 USER MOD Single : A 141 SER OG : rot 180:sc= 0 USER MOD Single : A 142 SER OG : rot 82:sc= 1.27 USER MOD Single : A 143 SER OG : rot 180:sc= 0 USER MOD Single : A 144 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 123 N GLY A 12 -2.937 -5.654 -13.926 1.00 0.00 N ATOM 124 CA GLY A 12 -2.437 -6.707 -14.803 1.00 0.00 C ATOM 125 C GLY A 12 -0.922 -6.820 -14.845 1.00 0.00 C ATOM 126 O GLY A 12 -0.335 -7.617 -14.113 1.00 0.00 O ATOM 0 HA2 GLY A 12 -2.852 -7.661 -14.478 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -2.804 -6.527 -15.813 1.00 0.00 H new ATOM 130 N ALA A 13 -0.292 -6.019 -15.699 1.00 0.00 N ATOM 131 CA ALA A 13 1.158 -6.058 -15.895 1.00 0.00 C ATOM 132 C ALA A 13 1.905 -5.832 -14.592 1.00 0.00 C ATOM 133 O ALA A 13 2.935 -6.464 -14.335 1.00 0.00 O ATOM 134 CB ALA A 13 1.577 -5.023 -16.928 1.00 0.00 C ATOM 0 H ALA A 13 -0.769 -5.325 -16.275 1.00 0.00 H new ATOM 0 HA ALA A 13 1.418 -7.052 -16.258 1.00 0.00 H new ATOM 0 HB1 ALA A 13 2.658 -5.062 -17.065 1.00 0.00 H new ATOM 0 HB2 ALA A 13 1.083 -5.235 -17.876 1.00 0.00 H new ATOM 0 HB3 ALA A 13 1.291 -4.029 -16.584 1.00 0.00 H new ATOM 140 N SER A 14 1.378 -4.943 -13.767 1.00 0.00 N ATOM 141 CA SER A 14 1.987 -4.627 -12.489 1.00 0.00 C ATOM 142 C SER A 14 2.109 -5.876 -11.602 1.00 0.00 C ATOM 143 O SER A 14 3.054 -6.003 -10.836 1.00 0.00 O ATOM 144 CB SER A 14 1.163 -3.559 -11.777 1.00 0.00 C ATOM 145 OG SER A 14 0.871 -2.483 -12.652 1.00 0.00 O ATOM 0 H SER A 14 0.522 -4.424 -13.963 1.00 0.00 H new ATOM 0 HA SER A 14 2.993 -4.250 -12.675 1.00 0.00 H new ATOM 0 HB2 SER A 14 0.235 -3.995 -11.407 1.00 0.00 H new ATOM 0 HB3 SER A 14 1.710 -3.190 -10.909 1.00 0.00 H new ATOM 0 HG SER A 14 1.706 -2.117 -13.010 1.00 0.00 H new ATOM 151 N ALA A 15 1.171 -6.808 -11.747 1.00 0.00 N ATOM 152 CA ALA A 15 1.143 -8.015 -10.918 1.00 0.00 C ATOM 153 C ALA A 15 2.285 -8.972 -11.262 1.00 0.00 C ATOM 154 O ALA A 15 2.618 -9.859 -10.477 1.00 0.00 O ATOM 155 CB ALA A 15 -0.199 -8.719 -11.057 1.00 0.00 C ATOM 0 H ALA A 15 0.417 -6.752 -12.432 1.00 0.00 H new ATOM 0 HA ALA A 15 1.279 -7.705 -9.882 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -0.206 -9.614 -10.436 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -0.996 -8.049 -10.737 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -0.357 -8.999 -12.099 1.00 0.00 H new ATOM 161 N GLY A 16 2.873 -8.798 -12.431 1.00 0.00 N ATOM 162 CA GLY A 16 3.959 -9.660 -12.840 1.00 0.00 C ATOM 163 C GLY A 16 5.315 -9.158 -12.383 1.00 0.00 C ATOM 164 O GLY A 16 6.197 -9.946 -12.048 1.00 0.00 O ATOM 0 H GLY A 16 2.619 -8.076 -13.105 1.00 0.00 H new ATOM 0 HA2 GLY A 16 3.793 -10.660 -12.439 1.00 0.00 H new ATOM 0 HA3 GLY A 16 3.957 -9.748 -13.926 1.00 0.00 H new ATOM 168 N LEU A 17 5.485 -7.848 -12.377 1.00 0.00 N ATOM 169 CA LEU A 17 6.766 -7.242 -12.017 1.00 0.00 C ATOM 170 C LEU A 17 6.958 -7.034 -10.504 1.00 0.00 C ATOM 171 O LEU A 17 8.089 -6.945 -10.040 1.00 0.00 O ATOM 172 CB LEU A 17 6.983 -5.926 -12.797 1.00 0.00 C ATOM 173 CG LEU A 17 5.799 -4.930 -12.828 1.00 0.00 C ATOM 174 CD1 LEU A 17 5.648 -4.188 -11.508 1.00 0.00 C ATOM 175 CD2 LEU A 17 5.957 -3.946 -13.976 1.00 0.00 C ATOM 0 H LEU A 17 4.754 -7.178 -12.617 1.00 0.00 H new ATOM 0 HA LEU A 17 7.533 -7.960 -12.308 1.00 0.00 H new ATOM 0 HB2 LEU A 17 7.845 -5.415 -12.368 1.00 0.00 H new ATOM 0 HB3 LEU A 17 7.241 -6.179 -13.825 1.00 0.00 H new ATOM 0 HG LEU A 17 4.890 -5.510 -12.984 1.00 0.00 H new ATOM 0 HD11 LEU A 17 4.806 -3.499 -11.572 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.470 -4.905 -10.706 1.00 0.00 H new ATOM 0 HD13 LEU A 17 6.560 -3.628 -11.299 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.115 -3.254 -13.981 1.00 0.00 H new ATOM 0 HD22 LEU A 17 6.885 -3.387 -13.851 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.985 -4.490 -14.920 1.00 0.00 H new ATOM 187 N ILE A 18 5.848 -6.982 -9.751 1.00 0.00 N ATOM 188 CA ILE A 18 5.859 -6.662 -8.294 1.00 0.00 C ATOM 189 C ILE A 18 7.043 -7.244 -7.499 1.00 0.00 C ATOM 190 O ILE A 18 7.736 -6.506 -6.799 1.00 0.00 O ATOM 191 CB ILE A 18 4.544 -7.072 -7.589 1.00 0.00 C ATOM 192 CG1 ILE A 18 4.121 -8.492 -7.987 1.00 0.00 C ATOM 193 CG2 ILE A 18 3.443 -6.065 -7.878 1.00 0.00 C ATOM 194 CD1 ILE A 18 2.892 -8.994 -7.257 1.00 0.00 C ATOM 0 H ILE A 18 4.915 -7.158 -10.123 1.00 0.00 H new ATOM 0 HA ILE A 18 5.971 -5.578 -8.288 1.00 0.00 H new ATOM 0 HB ILE A 18 4.723 -7.074 -6.514 1.00 0.00 H new ATOM 0 HG12 ILE A 18 3.929 -8.516 -9.060 1.00 0.00 H new ATOM 0 HG13 ILE A 18 4.949 -9.174 -7.796 1.00 0.00 H new ATOM 0 HG21 ILE A 18 2.527 -6.372 -7.373 1.00 0.00 H new ATOM 0 HG22 ILE A 18 3.745 -5.082 -7.516 1.00 0.00 H new ATOM 0 HG23 ILE A 18 3.266 -6.017 -8.953 1.00 0.00 H new ATOM 0 HD11 ILE A 18 2.657 -10.004 -7.593 1.00 0.00 H new ATOM 0 HD12 ILE A 18 3.085 -9.004 -6.184 1.00 0.00 H new ATOM 0 HD13 ILE A 18 2.049 -8.336 -7.468 1.00 0.00 H new ATOM 206 N SER A 19 7.277 -8.538 -7.608 1.00 0.00 N ATOM 207 CA SER A 19 8.312 -9.193 -6.813 1.00 0.00 C ATOM 208 C SER A 19 9.736 -8.826 -7.265 1.00 0.00 C ATOM 209 O SER A 19 10.673 -8.914 -6.485 1.00 0.00 O ATOM 210 CB SER A 19 8.114 -10.704 -6.850 1.00 0.00 C ATOM 211 OG SER A 19 6.788 -11.049 -6.473 1.00 0.00 O ATOM 0 H SER A 19 6.768 -9.160 -8.236 1.00 0.00 H new ATOM 0 HA SER A 19 8.209 -8.832 -5.790 1.00 0.00 H new ATOM 0 HB2 SER A 19 8.321 -11.078 -7.853 1.00 0.00 H new ATOM 0 HB3 SER A 19 8.825 -11.185 -6.178 1.00 0.00 H new ATOM 0 HG SER A 19 6.682 -12.023 -6.505 1.00 0.00 H new ATOM 217 N ARG A 20 9.888 -8.434 -8.517 1.00 0.00 N ATOM 218 CA ARG A 20 11.199 -8.097 -9.067 1.00 0.00 C ATOM 219 C ARG A 20 11.564 -6.628 -8.831 1.00 0.00 C ATOM 220 O ARG A 20 12.740 -6.263 -8.861 1.00 0.00 O ATOM 221 CB ARG A 20 11.250 -8.424 -10.550 1.00 0.00 C ATOM 222 CG ARG A 20 10.970 -9.878 -10.869 1.00 0.00 C ATOM 223 CD ARG A 20 11.108 -10.140 -12.354 1.00 0.00 C ATOM 224 NE ARG A 20 10.851 -11.541 -12.694 1.00 0.00 N ATOM 225 CZ ARG A 20 11.184 -12.105 -13.860 1.00 0.00 C ATOM 226 NH1 ARG A 20 11.875 -11.415 -14.764 1.00 0.00 N ATOM 227 NH2 ARG A 20 10.847 -13.361 -14.112 1.00 0.00 N ATOM 0 H ARG A 20 9.118 -8.339 -9.179 1.00 0.00 H new ATOM 0 HA ARG A 20 11.937 -8.703 -8.541 1.00 0.00 H new ATOM 0 HB2 ARG A 20 10.525 -7.801 -11.074 1.00 0.00 H new ATOM 0 HB3 ARG A 20 12.235 -8.161 -10.936 1.00 0.00 H new ATOM 0 HG2 ARG A 20 11.661 -10.515 -10.317 1.00 0.00 H new ATOM 0 HG3 ARG A 20 9.964 -10.140 -10.541 1.00 0.00 H new ATOM 0 HD2 ARG A 20 10.413 -9.502 -12.900 1.00 0.00 H new ATOM 0 HD3 ARG A 20 12.113 -9.868 -12.678 1.00 0.00 H new ATOM 0 HE ARG A 20 10.388 -12.124 -11.997 1.00 0.00 H new ATOM 0 HH11 ARG A 20 12.152 -10.453 -14.569 1.00 0.00 H new ATOM 0 HH12 ARG A 20 12.127 -11.848 -15.652 1.00 0.00 H new ATOM 0 HH21 ARG A 20 10.332 -13.900 -13.416 1.00 0.00 H new ATOM 0 HH22 ARG A 20 11.102 -13.789 -15.002 1.00 0.00 H new ATOM 241 N VAL A 21 10.549 -5.792 -8.633 1.00 0.00 N ATOM 242 CA VAL A 21 10.749 -4.358 -8.401 1.00 0.00 C ATOM 243 C VAL A 21 11.565 -4.127 -7.092 1.00 0.00 C ATOM 244 O VAL A 21 11.863 -5.077 -6.379 1.00 0.00 O ATOM 245 CB VAL A 21 9.366 -3.611 -8.346 1.00 0.00 C ATOM 246 CG1 VAL A 21 9.516 -2.097 -8.254 1.00 0.00 C ATOM 247 CG2 VAL A 21 8.527 -3.961 -9.559 1.00 0.00 C ATOM 0 H VAL A 21 9.571 -6.082 -8.628 1.00 0.00 H new ATOM 0 HA VAL A 21 11.321 -3.946 -9.232 1.00 0.00 H new ATOM 0 HB VAL A 21 8.868 -3.948 -7.437 1.00 0.00 H new ATOM 0 HG11 VAL A 21 8.529 -1.635 -8.219 1.00 0.00 H new ATOM 0 HG12 VAL A 21 10.069 -1.840 -7.350 1.00 0.00 H new ATOM 0 HG13 VAL A 21 10.057 -1.731 -9.127 1.00 0.00 H new ATOM 0 HG21 VAL A 21 7.573 -3.436 -9.506 1.00 0.00 H new ATOM 0 HG22 VAL A 21 9.055 -3.663 -10.465 1.00 0.00 H new ATOM 0 HG23 VAL A 21 8.349 -5.036 -9.580 1.00 0.00 H new ATOM 257 N ALA A 22 11.914 -2.860 -6.814 1.00 0.00 N ATOM 258 CA ALA A 22 12.728 -2.440 -5.644 1.00 0.00 C ATOM 259 C ALA A 22 12.447 -3.217 -4.339 1.00 0.00 C ATOM 260 O ALA A 22 13.339 -3.357 -3.505 1.00 0.00 O ATOM 261 CB ALA A 22 12.555 -0.947 -5.407 1.00 0.00 C ATOM 0 H ALA A 22 11.636 -2.076 -7.405 1.00 0.00 H new ATOM 0 HA ALA A 22 13.759 -2.679 -5.905 1.00 0.00 H new ATOM 0 HB1 ALA A 22 13.154 -0.643 -4.548 1.00 0.00 H new ATOM 0 HB2 ALA A 22 12.882 -0.398 -6.290 1.00 0.00 H new ATOM 0 HB3 ALA A 22 11.505 -0.729 -5.213 1.00 0.00 H new ATOM 267 N ASN A 23 11.224 -3.714 -4.158 1.00 0.00 N ATOM 268 CA ASN A 23 10.889 -4.472 -2.944 1.00 0.00 C ATOM 269 C ASN A 23 11.702 -5.761 -2.836 1.00 0.00 C ATOM 270 O ASN A 23 11.911 -6.276 -1.738 1.00 0.00 O ATOM 271 CB ASN A 23 9.392 -4.758 -2.845 1.00 0.00 C ATOM 272 CG ASN A 23 8.650 -3.655 -2.106 1.00 0.00 C ATOM 273 OD1 ASN A 23 8.483 -3.707 -0.889 1.00 0.00 O ATOM 274 ND2 ASN A 23 8.204 -2.653 -2.835 1.00 0.00 N ATOM 0 H ASN A 23 10.457 -3.610 -4.822 1.00 0.00 H new ATOM 0 HA ASN A 23 11.159 -3.840 -2.098 1.00 0.00 H new ATOM 0 HB2 ASN A 23 8.976 -4.867 -3.847 1.00 0.00 H new ATOM 0 HB3 ASN A 23 9.237 -5.707 -2.331 1.00 0.00 H new ATOM 0 HD21 ASN A 23 7.700 -1.885 -2.392 1.00 0.00 H new ATOM 0 HD22 ASN A 23 8.362 -2.645 -3.843 1.00 0.00 H new ATOM 281 N ALA A 24 12.165 -6.273 -3.976 1.00 0.00 N ATOM 282 CA ALA A 24 13.024 -7.451 -3.994 1.00 0.00 C ATOM 283 C ALA A 24 14.313 -7.149 -3.245 1.00 0.00 C ATOM 284 O ALA A 24 14.867 -8.003 -2.554 1.00 0.00 O ATOM 285 CB ALA A 24 13.336 -7.863 -5.425 1.00 0.00 C ATOM 0 H ALA A 24 11.958 -5.889 -4.898 1.00 0.00 H new ATOM 0 HA ALA A 24 12.505 -8.276 -3.506 1.00 0.00 H new ATOM 0 HB1 ALA A 24 13.978 -8.744 -5.418 1.00 0.00 H new ATOM 0 HB2 ALA A 24 12.408 -8.095 -5.948 1.00 0.00 H new ATOM 0 HB3 ALA A 24 13.846 -7.046 -5.936 1.00 0.00 H new ATOM 291 N LEU A 25 14.771 -5.909 -3.384 1.00 0.00 N ATOM 292 CA LEU A 25 15.965 -5.445 -2.706 1.00 0.00 C ATOM 293 C LEU A 25 15.631 -5.087 -1.266 1.00 0.00 C ATOM 294 O LEU A 25 16.444 -5.282 -0.360 1.00 0.00 O ATOM 295 CB LEU A 25 16.543 -4.221 -3.425 1.00 0.00 C ATOM 296 CG LEU A 25 17.814 -3.626 -2.815 1.00 0.00 C ATOM 297 CD1 LEU A 25 18.990 -4.577 -2.984 1.00 0.00 C ATOM 298 CD2 LEU A 25 18.118 -2.272 -3.435 1.00 0.00 C ATOM 0 H LEU A 25 14.323 -5.204 -3.969 1.00 0.00 H new ATOM 0 HA LEU A 25 16.709 -6.242 -2.717 1.00 0.00 H new ATOM 0 HB2 LEU A 25 16.754 -4.497 -4.458 1.00 0.00 H new ATOM 0 HB3 LEU A 25 15.778 -3.445 -3.452 1.00 0.00 H new ATOM 0 HG LEU A 25 17.649 -3.483 -1.747 1.00 0.00 H new ATOM 0 HD11 LEU A 25 19.883 -4.134 -2.543 1.00 0.00 H new ATOM 0 HD12 LEU A 25 18.769 -5.521 -2.485 1.00 0.00 H new ATOM 0 HD13 LEU A 25 19.161 -4.759 -4.045 1.00 0.00 H new ATOM 0 HD21 LEU A 25 19.025 -1.863 -2.990 1.00 0.00 H new ATOM 0 HD22 LEU A 25 18.262 -2.388 -4.509 1.00 0.00 H new ATOM 0 HD23 LEU A 25 17.286 -1.593 -3.251 1.00 0.00 H new ATOM 310 N ALA A 26 14.420 -4.553 -1.064 1.00 0.00 N ATOM 311 CA ALA A 26 13.947 -4.193 0.266 1.00 0.00 C ATOM 312 C ALA A 26 13.972 -5.409 1.173 1.00 0.00 C ATOM 313 O ALA A 26 14.474 -5.341 2.290 1.00 0.00 O ATOM 314 CB ALA A 26 12.544 -3.599 0.199 1.00 0.00 C ATOM 0 H ALA A 26 13.753 -4.363 -1.811 1.00 0.00 H new ATOM 0 HA ALA A 26 14.613 -3.435 0.679 1.00 0.00 H new ATOM 0 HB1 ALA A 26 12.211 -3.338 1.204 1.00 0.00 H new ATOM 0 HB2 ALA A 26 12.557 -2.704 -0.423 1.00 0.00 H new ATOM 0 HB3 ALA A 26 11.860 -4.330 -0.231 1.00 0.00 H new ATOM 320 N ASN A 27 13.406 -6.526 0.678 1.00 0.00 N ATOM 321 CA ASN A 27 13.444 -7.819 1.380 1.00 0.00 C ATOM 322 C ASN A 27 12.786 -7.744 2.777 1.00 0.00 C ATOM 323 O ASN A 27 12.902 -8.666 3.588 1.00 0.00 O ATOM 324 CB ASN A 27 14.907 -8.251 1.496 1.00 0.00 C ATOM 325 CG ASN A 27 15.096 -9.712 1.826 1.00 0.00 C ATOM 326 OD1 ASN A 27 15.203 -10.095 2.987 1.00 0.00 O ATOM 327 ND2 ASN A 27 15.151 -10.533 0.804 1.00 0.00 N ATOM 0 H ASN A 27 12.913 -6.556 -0.214 1.00 0.00 H new ATOM 0 HA ASN A 27 12.871 -8.550 0.810 1.00 0.00 H new ATOM 0 HB2 ASN A 27 15.414 -8.034 0.556 1.00 0.00 H new ATOM 0 HB3 ASN A 27 15.392 -7.650 2.266 1.00 0.00 H new ATOM 0 HD21 ASN A 27 15.287 -11.532 0.959 1.00 0.00 H new ATOM 0 HD22 ASN A 27 15.057 -10.172 -0.146 1.00 0.00 H new ATOM 334 N THR A 28 12.069 -6.671 3.026 1.00 0.00 N ATOM 335 CA THR A 28 11.479 -6.431 4.323 1.00 0.00 C ATOM 336 C THR A 28 10.130 -7.163 4.491 1.00 0.00 C ATOM 337 O THR A 28 9.568 -7.701 3.531 1.00 0.00 O ATOM 338 CB THR A 28 11.290 -4.917 4.539 1.00 0.00 C ATOM 339 OG1 THR A 28 12.379 -4.213 3.921 1.00 0.00 O ATOM 340 CG2 THR A 28 11.265 -4.575 6.023 1.00 0.00 C ATOM 0 H THR A 28 11.879 -5.943 2.337 1.00 0.00 H new ATOM 0 HA THR A 28 12.161 -6.828 5.075 1.00 0.00 H new ATOM 0 HB THR A 28 10.339 -4.622 4.095 1.00 0.00 H new ATOM 0 HG1 THR A 28 12.263 -3.249 4.054 1.00 0.00 H new ATOM 0 HG21 THR A 28 11.131 -3.500 6.147 1.00 0.00 H new ATOM 0 HG22 THR A 28 10.441 -5.102 6.504 1.00 0.00 H new ATOM 0 HG23 THR A 28 12.206 -4.878 6.482 1.00 0.00 H new ATOM 348 N SER A 29 9.648 -7.185 5.726 1.00 0.00 N ATOM 349 CA SER A 29 8.394 -7.807 6.111 1.00 0.00 C ATOM 350 C SER A 29 7.209 -7.346 5.251 1.00 0.00 C ATOM 351 O SER A 29 6.239 -8.084 5.093 1.00 0.00 O ATOM 352 CB SER A 29 8.118 -7.469 7.561 1.00 0.00 C ATOM 353 OG SER A 29 9.316 -7.514 8.312 1.00 0.00 O ATOM 0 H SER A 29 10.137 -6.756 6.511 1.00 0.00 H new ATOM 0 HA SER A 29 8.496 -8.882 5.962 1.00 0.00 H new ATOM 0 HB2 SER A 29 7.673 -6.476 7.632 1.00 0.00 H new ATOM 0 HB3 SER A 29 7.395 -8.172 7.974 1.00 0.00 H new ATOM 0 HG SER A 29 9.224 -8.168 9.036 1.00 0.00 H new ATOM 359 N THR A 30 7.317 -6.139 4.696 1.00 0.00 N ATOM 360 CA THR A 30 6.258 -5.517 3.894 1.00 0.00 C ATOM 361 C THR A 30 5.773 -6.415 2.746 1.00 0.00 C ATOM 362 O THR A 30 4.582 -6.481 2.459 1.00 0.00 O ATOM 363 CB THR A 30 6.752 -4.179 3.324 1.00 0.00 C ATOM 364 OG1 THR A 30 8.066 -4.353 2.762 1.00 0.00 O ATOM 365 CG2 THR A 30 6.808 -3.122 4.415 1.00 0.00 C ATOM 0 H THR A 30 8.150 -5.558 4.790 1.00 0.00 H new ATOM 0 HA THR A 30 5.410 -5.357 4.560 1.00 0.00 H new ATOM 0 HB THR A 30 6.057 -3.851 2.551 1.00 0.00 H new ATOM 0 HG1 THR A 30 8.381 -3.500 2.397 1.00 0.00 H new ATOM 0 HG21 THR A 30 7.160 -2.181 3.992 1.00 0.00 H new ATOM 0 HG22 THR A 30 5.813 -2.981 4.836 1.00 0.00 H new ATOM 0 HG23 THR A 30 7.491 -3.445 5.200 1.00 0.00 H new ATOM 373 N LEU A 31 6.703 -7.081 2.092 1.00 0.00 N ATOM 374 CA LEU A 31 6.374 -7.998 1.005 1.00 0.00 C ATOM 375 C LEU A 31 6.384 -9.434 1.524 1.00 0.00 C ATOM 376 O LEU A 31 5.818 -10.341 0.919 1.00 0.00 O ATOM 377 CB LEU A 31 7.362 -7.853 -0.173 1.00 0.00 C ATOM 378 CG LEU A 31 8.852 -8.058 0.146 1.00 0.00 C ATOM 379 CD1 LEU A 31 9.566 -8.671 -1.050 1.00 0.00 C ATOM 380 CD2 LEU A 31 9.511 -6.734 0.515 1.00 0.00 C ATOM 0 H LEU A 31 7.701 -7.007 2.292 1.00 0.00 H new ATOM 0 HA LEU A 31 5.379 -7.749 0.638 1.00 0.00 H new ATOM 0 HB2 LEU A 31 7.078 -8.568 -0.945 1.00 0.00 H new ATOM 0 HB3 LEU A 31 7.239 -6.857 -0.599 1.00 0.00 H new ATOM 0 HG LEU A 31 8.928 -8.736 0.996 1.00 0.00 H new ATOM 0 HD11 LEU A 31 10.620 -8.811 -0.812 1.00 0.00 H new ATOM 0 HD12 LEU A 31 9.116 -9.635 -1.287 1.00 0.00 H new ATOM 0 HD13 LEU A 31 9.473 -8.006 -1.909 1.00 0.00 H new ATOM 0 HD21 LEU A 31 10.565 -6.902 0.737 1.00 0.00 H new ATOM 0 HD22 LEU A 31 9.422 -6.038 -0.319 1.00 0.00 H new ATOM 0 HD23 LEU A 31 9.018 -6.314 1.392 1.00 0.00 H new ATOM 392 N ARG A 32 7.052 -9.611 2.655 1.00 0.00 N ATOM 393 CA ARG A 32 7.249 -10.911 3.283 1.00 0.00 C ATOM 394 C ARG A 32 5.935 -11.528 3.789 1.00 0.00 C ATOM 395 O ARG A 32 5.497 -12.574 3.301 1.00 0.00 O ATOM 396 CB ARG A 32 8.205 -10.752 4.463 1.00 0.00 C ATOM 397 CG ARG A 32 8.701 -12.051 5.058 1.00 0.00 C ATOM 398 CD ARG A 32 9.669 -12.743 4.130 1.00 0.00 C ATOM 399 NE ARG A 32 10.928 -12.009 3.982 1.00 0.00 N ATOM 400 CZ ARG A 32 12.044 -12.547 3.494 1.00 0.00 C ATOM 401 NH1 ARG A 32 12.049 -13.805 3.061 1.00 0.00 N ATOM 402 NH2 ARG A 32 13.149 -11.827 3.425 1.00 0.00 N ATOM 0 H ARG A 32 7.480 -8.842 3.171 1.00 0.00 H new ATOM 0 HA ARG A 32 7.659 -11.581 2.527 1.00 0.00 H new ATOM 0 HB2 ARG A 32 9.065 -10.165 4.139 1.00 0.00 H new ATOM 0 HB3 ARG A 32 7.704 -10.179 5.243 1.00 0.00 H new ATOM 0 HG2 ARG A 32 9.187 -11.854 6.013 1.00 0.00 H new ATOM 0 HG3 ARG A 32 7.855 -12.708 5.260 1.00 0.00 H new ATOM 0 HD2 ARG A 32 9.878 -13.743 4.509 1.00 0.00 H new ATOM 0 HD3 ARG A 32 9.205 -12.863 3.151 1.00 0.00 H new ATOM 0 HE ARG A 32 10.951 -11.030 4.269 1.00 0.00 H new ATOM 0 HH11 ARG A 32 11.195 -14.362 3.102 1.00 0.00 H new ATOM 0 HH12 ARG A 32 12.906 -14.213 2.688 1.00 0.00 H new ATOM 0 HH21 ARG A 32 13.148 -10.859 3.746 1.00 0.00 H new ATOM 0 HH22 ARG A 32 14.004 -12.239 3.051 1.00 0.00 H new ATOM 416 N THR A 33 5.318 -10.875 4.765 1.00 0.00 N ATOM 417 CA THR A 33 4.127 -11.429 5.413 1.00 0.00 C ATOM 418 C THR A 33 3.370 -10.374 6.229 1.00 0.00 C ATOM 419 O THR A 33 2.171 -10.523 6.501 1.00 0.00 O ATOM 420 CB THR A 33 4.502 -12.619 6.333 1.00 0.00 C ATOM 421 OG1 THR A 33 3.323 -13.236 6.863 1.00 0.00 O ATOM 422 CG2 THR A 33 5.396 -12.167 7.482 1.00 0.00 C ATOM 0 H THR A 33 5.616 -9.969 5.126 1.00 0.00 H new ATOM 0 HA THR A 33 3.471 -11.778 4.615 1.00 0.00 H new ATOM 0 HB THR A 33 5.048 -13.342 5.728 1.00 0.00 H new ATOM 0 HG1 THR A 33 3.578 -13.986 7.440 1.00 0.00 H new ATOM 0 HG21 THR A 33 5.642 -13.023 8.110 1.00 0.00 H new ATOM 0 HG22 THR A 33 6.313 -11.735 7.081 1.00 0.00 H new ATOM 0 HG23 THR A 33 4.873 -11.419 8.078 1.00 0.00 H new ATOM 430 N VAL A 34 4.069 -9.339 6.641 1.00 0.00 N ATOM 431 CA VAL A 34 3.458 -8.253 7.373 1.00 0.00 C ATOM 432 C VAL A 34 2.946 -7.209 6.396 1.00 0.00 C ATOM 433 O VAL A 34 3.612 -6.904 5.410 1.00 0.00 O ATOM 434 CB VAL A 34 4.463 -7.606 8.358 1.00 0.00 C ATOM 435 CG1 VAL A 34 3.809 -6.487 9.160 1.00 0.00 C ATOM 436 CG2 VAL A 34 5.041 -8.660 9.287 1.00 0.00 C ATOM 0 H VAL A 34 5.070 -9.227 6.479 1.00 0.00 H new ATOM 0 HA VAL A 34 2.627 -8.653 7.954 1.00 0.00 H new ATOM 0 HB VAL A 34 5.273 -7.168 7.775 1.00 0.00 H new ATOM 0 HG11 VAL A 34 4.540 -6.053 9.842 1.00 0.00 H new ATOM 0 HG12 VAL A 34 3.445 -5.717 8.480 1.00 0.00 H new ATOM 0 HG13 VAL A 34 2.973 -6.890 9.732 1.00 0.00 H new ATOM 0 HG21 VAL A 34 5.746 -8.192 9.974 1.00 0.00 H new ATOM 0 HG22 VAL A 34 4.235 -9.126 9.855 1.00 0.00 H new ATOM 0 HG23 VAL A 34 5.557 -9.419 8.699 1.00 0.00 H new ATOM 446 N LEU A 35 1.753 -6.695 6.656 1.00 0.00 N ATOM 447 CA LEU A 35 1.140 -5.693 5.797 1.00 0.00 C ATOM 448 C LEU A 35 2.082 -4.513 5.570 1.00 0.00 C ATOM 449 O LEU A 35 2.787 -4.075 6.485 1.00 0.00 O ATOM 450 CB LEU A 35 -0.206 -5.207 6.371 1.00 0.00 C ATOM 451 CG LEU A 35 -0.148 -4.341 7.645 1.00 0.00 C ATOM 452 CD1 LEU A 35 -1.488 -3.677 7.890 1.00 0.00 C ATOM 453 CD2 LEU A 35 0.251 -5.167 8.858 1.00 0.00 C ATOM 0 H LEU A 35 1.186 -6.958 7.462 1.00 0.00 H new ATOM 0 HA LEU A 35 0.945 -6.165 4.834 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -0.719 -4.637 5.596 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -0.820 -6.082 6.583 1.00 0.00 H new ATOM 0 HG LEU A 35 0.611 -3.574 7.492 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -1.433 -3.069 8.793 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -1.741 -3.043 7.040 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -2.255 -4.441 8.014 1.00 0.00 H new ATOM 0 HD21 LEU A 35 0.283 -4.527 9.740 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -0.478 -5.962 9.013 1.00 0.00 H new ATOM 0 HD23 LEU A 35 1.235 -5.605 8.692 1.00 0.00 H new ATOM 465 N ARG A 36 2.090 -4.014 4.347 1.00 0.00 N ATOM 466 CA ARG A 36 2.979 -2.931 3.967 1.00 0.00 C ATOM 467 C ARG A 36 2.641 -1.643 4.701 1.00 0.00 C ATOM 468 O ARG A 36 1.553 -1.494 5.272 1.00 0.00 O ATOM 469 CB ARG A 36 2.929 -2.685 2.459 1.00 0.00 C ATOM 470 CG ARG A 36 1.642 -2.033 1.974 1.00 0.00 C ATOM 471 CD ARG A 36 1.740 -1.652 0.507 1.00 0.00 C ATOM 472 NE ARG A 36 0.610 -0.827 0.071 1.00 0.00 N ATOM 473 CZ ARG A 36 0.629 0.509 0.019 1.00 0.00 C ATOM 474 NH1 ARG A 36 1.703 1.183 0.423 1.00 0.00 N ATOM 475 NH2 ARG A 36 -0.438 1.167 -0.422 1.00 0.00 N ATOM 0 H ARG A 36 1.486 -4.345 3.595 1.00 0.00 H new ATOM 0 HA ARG A 36 3.987 -3.236 4.248 1.00 0.00 H new ATOM 0 HB2 ARG A 36 3.771 -2.053 2.177 1.00 0.00 H new ATOM 0 HB3 ARG A 36 3.058 -3.636 1.943 1.00 0.00 H new ATOM 0 HG2 ARG A 36 0.807 -2.718 2.120 1.00 0.00 H new ATOM 0 HG3 ARG A 36 1.434 -1.145 2.570 1.00 0.00 H new ATOM 0 HD2 ARG A 36 2.670 -1.110 0.336 1.00 0.00 H new ATOM 0 HD3 ARG A 36 1.782 -2.557 -0.099 1.00 0.00 H new ATOM 0 HE ARG A 36 -0.247 -1.303 -0.211 1.00 0.00 H new ATOM 0 HH11 ARG A 36 2.518 0.680 0.775 1.00 0.00 H new ATOM 0 HH12 ARG A 36 1.711 2.202 0.381 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -1.267 0.653 -0.719 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -0.428 2.186 -0.463 1.00 0.00 H new ATOM 489 N THR A 37 3.569 -0.713 4.665 1.00 0.00 N ATOM 490 CA THR A 37 3.386 0.563 5.280 1.00 0.00 C ATOM 491 C THR A 37 2.367 1.377 4.503 1.00 0.00 C ATOM 492 O THR A 37 2.602 1.769 3.353 1.00 0.00 O ATOM 493 CB THR A 37 4.717 1.314 5.376 1.00 0.00 C ATOM 494 OG1 THR A 37 5.484 1.083 4.185 1.00 0.00 O ATOM 495 CG2 THR A 37 5.504 0.847 6.590 1.00 0.00 C ATOM 0 H THR A 37 4.471 -0.830 4.204 1.00 0.00 H new ATOM 0 HA THR A 37 3.011 0.410 6.292 1.00 0.00 H new ATOM 0 HB THR A 37 4.514 2.380 5.480 1.00 0.00 H new ATOM 0 HG1 THR A 37 5.452 1.880 3.615 1.00 0.00 H new ATOM 0 HG21 THR A 37 6.447 1.391 6.643 1.00 0.00 H new ATOM 0 HG22 THR A 37 4.925 1.036 7.494 1.00 0.00 H new ATOM 0 HG23 THR A 37 5.705 -0.221 6.504 1.00 0.00 H new ATOM 503 N GLY A 38 1.226 1.600 5.121 1.00 0.00 N ATOM 504 CA GLY A 38 0.166 2.307 4.469 1.00 0.00 C ATOM 505 C GLY A 38 -0.604 1.402 3.560 1.00 0.00 C ATOM 506 O GLY A 38 -0.910 1.768 2.424 1.00 0.00 O ATOM 0 H GLY A 38 1.018 1.299 6.073 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -0.504 2.734 5.215 1.00 0.00 H new ATOM 0 HA3 GLY A 38 0.577 3.139 3.897 1.00 0.00 H new ATOM 510 N VAL A 39 -0.883 0.197 4.060 1.00 0.00 N ATOM 511 CA VAL A 39 -1.617 -0.818 3.321 1.00 0.00 C ATOM 512 C VAL A 39 -2.861 -0.240 2.644 1.00 0.00 C ATOM 513 O VAL A 39 -3.583 0.585 3.212 1.00 0.00 O ATOM 514 CB VAL A 39 -2.008 -2.012 4.231 1.00 0.00 C ATOM 515 CG1 VAL A 39 -3.047 -1.612 5.270 1.00 0.00 C ATOM 516 CG2 VAL A 39 -2.483 -3.193 3.404 1.00 0.00 C ATOM 0 H VAL A 39 -0.602 -0.099 4.995 1.00 0.00 H new ATOM 0 HA VAL A 39 -0.948 -1.184 2.542 1.00 0.00 H new ATOM 0 HB VAL A 39 -1.113 -2.318 4.772 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -3.295 -2.475 5.888 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -2.645 -0.818 5.900 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -3.946 -1.256 4.767 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -2.751 -4.016 4.066 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -3.354 -2.900 2.818 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -1.685 -3.512 2.733 1.00 0.00 H new ATOM 526 N SER A 40 -3.083 -0.674 1.430 1.00 0.00 N ATOM 527 CA SER A 40 -4.184 -0.196 0.634 1.00 0.00 C ATOM 528 C SER A 40 -5.521 -0.707 1.169 1.00 0.00 C ATOM 529 O SER A 40 -5.655 -1.879 1.529 1.00 0.00 O ATOM 530 CB SER A 40 -3.988 -0.636 -0.813 1.00 0.00 C ATOM 531 OG SER A 40 -2.702 -0.250 -1.292 1.00 0.00 O ATOM 0 H SER A 40 -2.503 -1.372 0.964 1.00 0.00 H new ATOM 0 HA SER A 40 -4.205 0.893 0.686 1.00 0.00 H new ATOM 0 HB2 SER A 40 -4.098 -1.718 -0.886 1.00 0.00 H new ATOM 0 HB3 SER A 40 -4.762 -0.193 -1.440 1.00 0.00 H new ATOM 0 HG SER A 40 -2.714 0.700 -1.534 1.00 0.00 H new ATOM 537 N GLN A 41 -6.509 0.178 1.191 1.00 0.00 N ATOM 538 CA GLN A 41 -7.862 -0.144 1.659 1.00 0.00 C ATOM 539 C GLN A 41 -8.508 -1.213 0.783 1.00 0.00 C ATOM 540 O GLN A 41 -9.524 -1.785 1.138 1.00 0.00 O ATOM 541 CB GLN A 41 -8.703 1.125 1.673 1.00 0.00 C ATOM 542 CG GLN A 41 -10.159 0.947 2.054 1.00 0.00 C ATOM 543 CD GLN A 41 -10.935 2.244 1.955 1.00 0.00 C ATOM 544 OE1 GLN A 41 -10.382 3.324 2.129 1.00 0.00 O ATOM 545 NE2 GLN A 41 -12.214 2.149 1.671 1.00 0.00 N ATOM 0 H GLN A 41 -6.400 1.145 0.885 1.00 0.00 H new ATOM 0 HA GLN A 41 -7.800 -0.547 2.670 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -8.249 1.832 2.368 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -8.659 1.579 0.683 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -10.615 0.201 1.403 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -10.223 0.563 3.072 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -12.639 1.232 1.533 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -12.782 2.992 1.588 1.00 0.00 H new ATOM 554 N GLN A 42 -7.908 -1.465 -0.362 1.00 0.00 N ATOM 555 CA GLN A 42 -8.380 -2.498 -1.270 1.00 0.00 C ATOM 556 C GLN A 42 -8.525 -3.825 -0.523 1.00 0.00 C ATOM 557 O GLN A 42 -9.514 -4.540 -0.684 1.00 0.00 O ATOM 558 CB GLN A 42 -7.392 -2.657 -2.426 1.00 0.00 C ATOM 559 CG GLN A 42 -7.106 -1.360 -3.166 1.00 0.00 C ATOM 560 CD GLN A 42 -8.317 -0.826 -3.903 1.00 0.00 C ATOM 561 OE1 GLN A 42 -9.153 -1.586 -4.377 1.00 0.00 O ATOM 562 NE2 GLN A 42 -8.420 0.483 -3.994 1.00 0.00 N ATOM 0 H GLN A 42 -7.083 -0.964 -0.691 1.00 0.00 H new ATOM 0 HA GLN A 42 -9.353 -2.208 -1.666 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -6.455 -3.059 -2.040 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -7.786 -3.389 -3.131 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -6.759 -0.610 -2.455 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -6.296 -1.524 -3.877 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -7.702 1.081 -3.585 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -9.218 0.900 -4.473 1.00 0.00 H new ATOM 571 N ILE A 43 -7.544 -4.125 0.324 1.00 0.00 N ATOM 572 CA ILE A 43 -7.553 -5.356 1.091 1.00 0.00 C ATOM 573 C ILE A 43 -8.396 -5.219 2.367 1.00 0.00 C ATOM 574 O ILE A 43 -9.127 -6.130 2.733 1.00 0.00 O ATOM 575 CB ILE A 43 -6.100 -5.845 1.430 1.00 0.00 C ATOM 576 CG1 ILE A 43 -5.340 -4.846 2.314 1.00 0.00 C ATOM 577 CG2 ILE A 43 -5.316 -6.097 0.153 1.00 0.00 C ATOM 578 CD1 ILE A 43 -5.486 -5.089 3.809 1.00 0.00 C ATOM 0 H ILE A 43 -6.734 -3.528 0.493 1.00 0.00 H new ATOM 0 HA ILE A 43 -8.017 -6.116 0.462 1.00 0.00 H new ATOM 0 HB ILE A 43 -6.200 -6.774 1.991 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -4.282 -4.882 2.054 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -5.690 -3.839 2.086 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -4.311 -6.435 0.404 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -5.819 -6.862 -0.438 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -5.255 -5.174 -0.424 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -4.917 -4.338 4.357 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -6.538 -5.022 4.087 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -5.108 -6.081 4.055 1.00 0.00 H new ATOM 590 N ALA A 44 -8.301 -4.060 3.021 1.00 0.00 N ATOM 591 CA ALA A 44 -9.001 -3.832 4.278 1.00 0.00 C ATOM 592 C ALA A 44 -10.450 -3.406 4.068 1.00 0.00 C ATOM 593 O ALA A 44 -11.372 -4.133 4.430 1.00 0.00 O ATOM 594 CB ALA A 44 -8.240 -2.841 5.130 1.00 0.00 C ATOM 0 H ALA A 44 -7.746 -3.268 2.698 1.00 0.00 H new ATOM 0 HA ALA A 44 -9.042 -4.782 4.812 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -8.775 -2.680 6.066 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -7.245 -3.233 5.343 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -8.151 -1.895 4.596 1.00 0.00 H new ATOM 600 N SER A 45 -10.635 -2.203 3.526 1.00 0.00 N ATOM 601 CA SER A 45 -11.960 -1.657 3.161 1.00 0.00 C ATOM 602 C SER A 45 -12.827 -1.268 4.374 1.00 0.00 C ATOM 603 O SER A 45 -13.589 -0.304 4.309 1.00 0.00 O ATOM 604 CB SER A 45 -12.712 -2.638 2.258 1.00 0.00 C ATOM 605 OG SER A 45 -11.863 -3.129 1.222 1.00 0.00 O ATOM 0 H SER A 45 -9.865 -1.565 3.322 1.00 0.00 H new ATOM 0 HA SER A 45 -11.767 -0.732 2.618 1.00 0.00 H new ATOM 0 HB2 SER A 45 -13.087 -3.471 2.852 1.00 0.00 H new ATOM 0 HB3 SER A 45 -13.579 -2.144 1.820 1.00 0.00 H new ATOM 0 HG SER A 45 -11.083 -2.543 1.133 1.00 0.00 H new ATOM 611 N SER A 46 -12.702 -2.005 5.464 1.00 0.00 N ATOM 612 CA SER A 46 -13.510 -1.768 6.641 1.00 0.00 C ATOM 613 C SER A 46 -13.191 -0.415 7.295 1.00 0.00 C ATOM 614 O SER A 46 -13.913 0.561 7.100 1.00 0.00 O ATOM 615 CB SER A 46 -13.336 -2.912 7.645 1.00 0.00 C ATOM 616 OG SER A 46 -14.211 -2.768 8.747 1.00 0.00 O ATOM 0 H SER A 46 -12.042 -2.778 5.555 1.00 0.00 H new ATOM 0 HA SER A 46 -14.552 -1.733 6.324 1.00 0.00 H new ATOM 0 HB2 SER A 46 -13.525 -3.865 7.150 1.00 0.00 H new ATOM 0 HB3 SER A 46 -12.305 -2.935 7.998 1.00 0.00 H new ATOM 0 HG SER A 46 -14.078 -3.513 9.370 1.00 0.00 H new ATOM 622 N VAL A 47 -12.110 -0.358 8.050 1.00 0.00 N ATOM 623 CA VAL A 47 -11.752 0.862 8.761 1.00 0.00 C ATOM 624 C VAL A 47 -10.392 1.399 8.306 1.00 0.00 C ATOM 625 O VAL A 47 -10.150 2.606 8.304 1.00 0.00 O ATOM 626 CB VAL A 47 -11.751 0.622 10.295 1.00 0.00 C ATOM 627 CG1 VAL A 47 -10.767 -0.476 10.680 1.00 0.00 C ATOM 628 CG2 VAL A 47 -11.456 1.908 11.050 1.00 0.00 C ATOM 0 H VAL A 47 -11.465 -1.136 8.189 1.00 0.00 H new ATOM 0 HA VAL A 47 -12.505 1.613 8.523 1.00 0.00 H new ATOM 0 HB VAL A 47 -12.749 0.289 10.579 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -10.788 -0.622 11.760 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -11.046 -1.405 10.183 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -9.762 -0.188 10.373 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -11.462 1.710 12.122 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -10.477 2.286 10.756 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -12.218 2.651 10.814 1.00 0.00 H new ATOM 638 N VAL A 48 -9.520 0.497 7.912 1.00 0.00 N ATOM 639 CA VAL A 48 -8.192 0.863 7.469 1.00 0.00 C ATOM 640 C VAL A 48 -8.229 1.437 6.069 1.00 0.00 C ATOM 641 O VAL A 48 -8.205 0.698 5.086 1.00 0.00 O ATOM 642 CB VAL A 48 -7.237 -0.345 7.475 1.00 0.00 C ATOM 643 CG1 VAL A 48 -5.791 0.103 7.327 1.00 0.00 C ATOM 644 CG2 VAL A 48 -7.426 -1.170 8.726 1.00 0.00 C ATOM 0 H VAL A 48 -9.709 -0.505 7.889 1.00 0.00 H new ATOM 0 HA VAL A 48 -7.825 1.613 8.170 1.00 0.00 H new ATOM 0 HB VAL A 48 -7.479 -0.973 6.618 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -5.137 -0.769 7.334 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -5.671 0.639 6.385 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -5.527 0.761 8.155 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -6.742 -2.018 8.709 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -7.220 -0.555 9.602 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -8.453 -1.533 8.771 1.00 0.00 H new ATOM 654 N GLN A 49 -8.335 2.744 5.981 1.00 0.00 N ATOM 655 CA GLN A 49 -8.300 3.406 4.698 1.00 0.00 C ATOM 656 C GLN A 49 -6.863 3.571 4.234 1.00 0.00 C ATOM 657 O GLN A 49 -6.551 3.402 3.056 1.00 0.00 O ATOM 658 CB GLN A 49 -9.000 4.758 4.766 1.00 0.00 C ATOM 659 CG GLN A 49 -10.502 4.655 4.960 1.00 0.00 C ATOM 660 CD GLN A 49 -11.203 5.987 4.834 1.00 0.00 C ATOM 661 OE1 GLN A 49 -10.741 6.886 4.125 1.00 0.00 O ATOM 662 NE2 GLN A 49 -12.329 6.120 5.494 1.00 0.00 N ATOM 0 H GLN A 49 -8.446 3.367 6.781 1.00 0.00 H new ATOM 0 HA GLN A 49 -8.832 2.787 3.976 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -8.575 5.337 5.586 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -8.798 5.309 3.848 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -10.912 3.963 4.224 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -10.708 4.233 5.944 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -12.677 5.353 6.069 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -12.857 6.991 5.432 1.00 0.00 H new ATOM 671 N ARG A 50 -5.989 3.913 5.169 1.00 0.00 N ATOM 672 CA ARG A 50 -4.589 4.083 4.867 1.00 0.00 C ATOM 673 C ARG A 50 -3.706 3.724 6.063 1.00 0.00 C ATOM 674 O ARG A 50 -2.477 3.783 5.969 1.00 0.00 O ATOM 675 CB ARG A 50 -4.353 5.525 4.473 1.00 0.00 C ATOM 676 CG ARG A 50 -2.998 5.792 3.891 1.00 0.00 C ATOM 677 CD ARG A 50 -3.097 6.865 2.859 1.00 0.00 C ATOM 678 NE ARG A 50 -4.047 6.469 1.800 1.00 0.00 N ATOM 679 CZ ARG A 50 -4.185 7.074 0.626 1.00 0.00 C ATOM 680 NH1 ARG A 50 -3.446 8.126 0.336 1.00 0.00 N ATOM 681 NH2 ARG A 50 -5.076 6.622 -0.254 1.00 0.00 N ATOM 0 H ARG A 50 -6.233 4.077 6.146 1.00 0.00 H new ATOM 0 HA ARG A 50 -4.324 3.412 4.050 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -5.111 5.820 3.748 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -4.489 6.156 5.351 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -2.307 6.093 4.678 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -2.597 4.882 3.446 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -3.425 7.796 3.322 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -2.115 7.054 2.425 1.00 0.00 H new ATOM 0 HE ARG A 50 -4.646 5.665 1.986 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -2.768 8.475 1.013 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -3.552 8.591 -0.566 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -5.652 5.812 -0.026 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -5.183 7.086 -1.156 1.00 0.00 H new ATOM 695 N ALA A 51 -4.341 3.347 7.184 1.00 0.00 N ATOM 696 CA ALA A 51 -3.641 3.066 8.449 1.00 0.00 C ATOM 697 C ALA A 51 -3.098 4.359 9.051 1.00 0.00 C ATOM 698 O ALA A 51 -3.413 4.699 10.184 1.00 0.00 O ATOM 699 CB ALA A 51 -2.530 2.026 8.271 1.00 0.00 C ATOM 0 H ALA A 51 -5.353 3.228 7.240 1.00 0.00 H new ATOM 0 HA ALA A 51 -4.364 2.637 9.142 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -2.040 1.849 9.229 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -2.960 1.093 7.906 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -1.798 2.395 7.552 1.00 0.00 H new ATOM 705 N ALA A 52 -2.296 5.083 8.274 1.00 0.00 N ATOM 706 CA ALA A 52 -1.756 6.355 8.700 1.00 0.00 C ATOM 707 C ALA A 52 -2.872 7.346 8.943 1.00 0.00 C ATOM 708 O ALA A 52 -3.750 7.526 8.093 1.00 0.00 O ATOM 709 CB ALA A 52 -0.790 6.902 7.674 1.00 0.00 C ATOM 0 H ALA A 52 -2.008 4.799 7.337 1.00 0.00 H new ATOM 0 HA ALA A 52 -1.214 6.197 9.632 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -0.398 7.859 8.018 1.00 0.00 H new ATOM 0 HB2 ALA A 52 0.033 6.200 7.538 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -1.308 7.042 6.725 1.00 0.00 H new ATOM 715 N GLN A 53 -2.815 7.996 10.092 1.00 0.00 N ATOM 716 CA GLN A 53 -3.828 8.958 10.528 1.00 0.00 C ATOM 717 C GLN A 53 -4.065 10.074 9.509 1.00 0.00 C ATOM 718 O GLN A 53 -5.073 10.756 9.571 1.00 0.00 O ATOM 719 CB GLN A 53 -3.457 9.566 11.897 1.00 0.00 C ATOM 720 CG GLN A 53 -2.146 10.354 11.917 1.00 0.00 C ATOM 721 CD GLN A 53 -0.910 9.471 11.853 1.00 0.00 C ATOM 722 OE1 GLN A 53 0.106 9.855 11.287 1.00 0.00 O ATOM 723 NE2 GLN A 53 -0.985 8.291 12.446 1.00 0.00 N ATOM 0 H GLN A 53 -2.056 7.873 10.762 1.00 0.00 H new ATOM 0 HA GLN A 53 -4.760 8.400 10.620 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -4.265 10.224 12.217 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -3.392 8.762 12.630 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -2.133 11.046 11.075 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -2.107 10.956 12.825 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -1.849 8.006 12.907 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -0.179 7.666 12.442 1.00 0.00 H new ATOM 732 N SER A 54 -3.130 10.253 8.588 1.00 0.00 N ATOM 733 CA SER A 54 -3.220 11.300 7.588 1.00 0.00 C ATOM 734 C SER A 54 -4.525 11.210 6.780 1.00 0.00 C ATOM 735 O SER A 54 -5.451 11.989 6.994 1.00 0.00 O ATOM 736 CB SER A 54 -2.015 11.219 6.657 1.00 0.00 C ATOM 737 OG SER A 54 -0.900 10.655 7.332 1.00 0.00 O ATOM 0 H SER A 54 -2.291 9.677 8.515 1.00 0.00 H new ATOM 0 HA SER A 54 -3.224 12.261 8.103 1.00 0.00 H new ATOM 0 HB2 SER A 54 -2.263 10.615 5.784 1.00 0.00 H new ATOM 0 HB3 SER A 54 -1.762 12.215 6.294 1.00 0.00 H new ATOM 0 HG SER A 54 -0.136 10.609 6.720 1.00 0.00 H new ATOM 743 N LEU A 55 -4.586 10.270 5.854 1.00 0.00 N ATOM 744 CA LEU A 55 -5.758 10.116 5.007 1.00 0.00 C ATOM 745 C LEU A 55 -6.792 9.185 5.648 1.00 0.00 C ATOM 746 O LEU A 55 -7.978 9.261 5.347 1.00 0.00 O ATOM 747 CB LEU A 55 -5.341 9.616 3.622 1.00 0.00 C ATOM 748 CG LEU A 55 -6.336 9.873 2.483 1.00 0.00 C ATOM 749 CD1 LEU A 55 -5.591 10.292 1.221 1.00 0.00 C ATOM 750 CD2 LEU A 55 -7.176 8.629 2.210 1.00 0.00 C ATOM 0 H LEU A 55 -3.839 9.601 5.668 1.00 0.00 H new ATOM 0 HA LEU A 55 -6.233 11.091 4.894 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -4.392 10.083 3.360 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -5.161 8.543 3.685 1.00 0.00 H new ATOM 0 HG LEU A 55 -7.004 10.680 2.784 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -6.307 10.472 0.419 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -5.028 11.205 1.417 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -4.904 9.499 0.924 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -7.875 8.833 1.399 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -6.523 7.804 1.927 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -7.731 8.361 3.109 1.00 0.00 H new ATOM 762 N ALA A 56 -6.331 8.306 6.538 1.00 0.00 N ATOM 763 CA ALA A 56 -7.212 7.343 7.188 1.00 0.00 C ATOM 764 C ALA A 56 -8.132 7.995 8.203 1.00 0.00 C ATOM 765 O ALA A 56 -9.116 7.389 8.616 1.00 0.00 O ATOM 766 CB ALA A 56 -6.426 6.219 7.836 1.00 0.00 C ATOM 0 H ALA A 56 -5.354 8.243 6.823 1.00 0.00 H new ATOM 0 HA ALA A 56 -7.836 6.920 6.401 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -7.115 5.520 8.311 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -5.845 5.696 7.076 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -5.753 6.632 8.587 1.00 0.00 H new ATOM 772 N SER A 57 -7.783 9.206 8.643 1.00 0.00 N ATOM 773 CA SER A 57 -8.585 9.933 9.619 1.00 0.00 C ATOM 774 C SER A 57 -10.031 10.081 9.131 1.00 0.00 C ATOM 775 O SER A 57 -10.351 10.967 8.338 1.00 0.00 O ATOM 776 CB SER A 57 -7.974 11.313 9.904 1.00 0.00 C ATOM 777 OG SER A 57 -8.562 11.912 11.053 1.00 0.00 O ATOM 0 H SER A 57 -6.947 9.702 8.335 1.00 0.00 H new ATOM 0 HA SER A 57 -8.591 9.360 10.546 1.00 0.00 H new ATOM 0 HB2 SER A 57 -6.899 11.213 10.053 1.00 0.00 H new ATOM 0 HB3 SER A 57 -8.117 11.962 9.040 1.00 0.00 H new ATOM 0 HG SER A 57 -8.153 12.788 11.211 1.00 0.00 H new ATOM 783 N THR A 58 -10.879 9.181 9.583 1.00 0.00 N ATOM 784 CA THR A 58 -12.277 9.186 9.218 1.00 0.00 C ATOM 785 C THR A 58 -13.152 9.008 10.469 1.00 0.00 C ATOM 786 O THR A 58 -14.272 9.518 10.542 1.00 0.00 O ATOM 787 CB THR A 58 -12.574 8.065 8.178 1.00 0.00 C ATOM 788 OG1 THR A 58 -13.938 8.135 7.735 1.00 0.00 O ATOM 789 CG2 THR A 58 -12.293 6.685 8.765 1.00 0.00 C ATOM 0 H THR A 58 -10.616 8.425 10.215 1.00 0.00 H new ATOM 0 HA THR A 58 -12.515 10.147 8.761 1.00 0.00 H new ATOM 0 HB THR A 58 -11.914 8.221 7.325 1.00 0.00 H new ATOM 0 HG1 THR A 58 -14.106 7.425 7.081 1.00 0.00 H new ATOM 0 HG21 THR A 58 -12.509 5.921 8.018 1.00 0.00 H new ATOM 0 HG22 THR A 58 -11.245 6.621 9.058 1.00 0.00 H new ATOM 0 HG23 THR A 58 -12.924 6.526 9.639 1.00 0.00 H new ATOM 797 N LEU A 59 -12.611 8.298 11.454 1.00 0.00 N ATOM 798 CA LEU A 59 -13.297 8.054 12.718 1.00 0.00 C ATOM 799 C LEU A 59 -12.477 8.616 13.865 1.00 0.00 C ATOM 800 O LEU A 59 -12.648 8.224 15.022 1.00 0.00 O ATOM 801 CB LEU A 59 -13.514 6.549 12.933 1.00 0.00 C ATOM 802 CG LEU A 59 -14.471 5.859 11.960 1.00 0.00 C ATOM 803 CD1 LEU A 59 -14.512 4.366 12.228 1.00 0.00 C ATOM 804 CD2 LEU A 59 -15.863 6.456 12.067 1.00 0.00 C ATOM 0 H LEU A 59 -11.684 7.875 11.398 1.00 0.00 H new ATOM 0 HA LEU A 59 -14.268 8.548 12.685 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -12.546 6.051 12.873 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -13.887 6.398 13.946 1.00 0.00 H new ATOM 0 HG LEU A 59 -14.106 6.019 10.946 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -15.198 3.889 11.527 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -13.514 3.946 12.102 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -14.854 4.189 13.248 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -16.530 5.952 11.367 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -16.237 6.326 13.082 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -15.822 7.519 11.828 1.00 0.00 H new ATOM 816 N GLY A 60 -11.584 9.535 13.538 1.00 0.00 N ATOM 817 CA GLY A 60 -10.697 10.081 14.533 1.00 0.00 C ATOM 818 C GLY A 60 -9.550 9.141 14.805 1.00 0.00 C ATOM 819 O GLY A 60 -9.442 8.579 15.892 1.00 0.00 O ATOM 0 H GLY A 60 -11.460 9.911 12.598 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -10.312 11.043 14.194 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -11.248 10.265 15.455 1.00 0.00 H new ATOM 823 N VAL A 61 -8.695 8.962 13.809 1.00 0.00 N ATOM 824 CA VAL A 61 -7.572 8.043 13.920 1.00 0.00 C ATOM 825 C VAL A 61 -6.356 8.765 14.484 1.00 0.00 C ATOM 826 O VAL A 61 -5.773 9.614 13.825 1.00 0.00 O ATOM 827 CB VAL A 61 -7.210 7.417 12.538 1.00 0.00 C ATOM 828 CG1 VAL A 61 -6.057 6.432 12.670 1.00 0.00 C ATOM 829 CG2 VAL A 61 -8.422 6.731 11.919 1.00 0.00 C ATOM 0 H VAL A 61 -8.758 9.443 12.912 1.00 0.00 H new ATOM 0 HA VAL A 61 -7.868 7.240 14.595 1.00 0.00 H new ATOM 0 HB VAL A 61 -6.896 8.226 11.879 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -5.825 6.010 11.692 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -5.180 6.949 13.060 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -6.339 5.631 13.353 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -8.145 6.302 10.956 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -8.770 5.939 12.582 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -9.219 7.460 11.775 1.00 0.00 H new ATOM 839 N ASP A 62 -6.001 8.432 15.717 1.00 0.00 N ATOM 840 CA ASP A 62 -4.861 9.038 16.397 1.00 0.00 C ATOM 841 C ASP A 62 -4.516 8.200 17.610 1.00 0.00 C ATOM 842 O ASP A 62 -5.028 8.430 18.706 1.00 0.00 O ATOM 843 CB ASP A 62 -5.181 10.482 16.818 1.00 0.00 C ATOM 844 CG ASP A 62 -4.011 11.177 17.489 1.00 0.00 C ATOM 845 OD1 ASP A 62 -3.127 11.693 16.769 1.00 0.00 O ATOM 846 OD2 ASP A 62 -3.973 11.224 18.739 1.00 0.00 O ATOM 0 H ASP A 62 -6.494 7.735 16.275 1.00 0.00 H new ATOM 0 HA ASP A 62 -4.010 9.071 15.717 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -5.480 11.053 15.939 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -6.032 10.476 17.499 1.00 0.00 H new ATOM 851 N GLY A 63 -3.692 7.192 17.400 1.00 0.00 N ATOM 852 CA GLY A 63 -3.342 6.273 18.466 1.00 0.00 C ATOM 853 C GLY A 63 -4.443 5.252 18.714 1.00 0.00 C ATOM 854 O GLY A 63 -4.202 4.043 18.684 1.00 0.00 O ATOM 0 H GLY A 63 -3.253 6.989 16.502 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -2.417 5.756 18.211 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -3.152 6.833 19.382 1.00 0.00 H new ATOM 858 N ASN A 64 -5.655 5.749 18.924 1.00 0.00 N ATOM 859 CA ASN A 64 -6.826 4.921 19.207 1.00 0.00 C ATOM 860 C ASN A 64 -7.150 3.961 18.060 1.00 0.00 C ATOM 861 O ASN A 64 -6.888 2.771 18.151 1.00 0.00 O ATOM 862 CB ASN A 64 -8.050 5.811 19.542 1.00 0.00 C ATOM 863 CG ASN A 64 -8.440 6.782 18.432 1.00 0.00 C ATOM 864 OD1 ASN A 64 -7.599 7.231 17.654 1.00 0.00 O ATOM 865 ND2 ASN A 64 -9.712 7.096 18.346 1.00 0.00 N ATOM 0 H ASN A 64 -5.858 6.748 18.903 1.00 0.00 H new ATOM 0 HA ASN A 64 -6.587 4.308 20.076 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -8.902 5.169 19.763 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -7.835 6.379 20.447 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -10.032 7.732 17.616 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -10.380 6.704 19.009 1.00 0.00 H new ATOM 872 N ASN A 65 -7.685 4.498 16.982 1.00 0.00 N ATOM 873 CA ASN A 65 -8.080 3.716 15.824 1.00 0.00 C ATOM 874 C ASN A 65 -6.874 3.503 14.914 1.00 0.00 C ATOM 875 O ASN A 65 -6.997 3.080 13.774 1.00 0.00 O ATOM 876 CB ASN A 65 -9.203 4.459 15.086 1.00 0.00 C ATOM 877 CG ASN A 65 -9.914 3.616 14.046 1.00 0.00 C ATOM 878 OD1 ASN A 65 -10.002 2.405 14.161 1.00 0.00 O ATOM 879 ND2 ASN A 65 -10.453 4.265 13.040 1.00 0.00 N ATOM 0 H ASN A 65 -7.860 5.498 16.883 1.00 0.00 H new ATOM 0 HA ASN A 65 -8.447 2.738 16.134 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -9.933 4.812 15.815 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -8.785 5.341 14.601 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -10.966 3.756 12.321 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -10.358 5.279 12.978 1.00 0.00 H new ATOM 886 N LEU A 66 -5.711 3.832 15.440 1.00 0.00 N ATOM 887 CA LEU A 66 -4.463 3.672 14.733 1.00 0.00 C ATOM 888 C LEU A 66 -3.900 2.273 14.964 1.00 0.00 C ATOM 889 O LEU A 66 -3.896 1.435 14.067 1.00 0.00 O ATOM 890 CB LEU A 66 -3.471 4.730 15.207 1.00 0.00 C ATOM 891 CG LEU A 66 -2.097 4.713 14.550 1.00 0.00 C ATOM 892 CD1 LEU A 66 -2.218 4.947 13.058 1.00 0.00 C ATOM 893 CD2 LEU A 66 -1.206 5.763 15.183 1.00 0.00 C ATOM 0 H LEU A 66 -5.608 4.221 16.377 1.00 0.00 H new ATOM 0 HA LEU A 66 -4.636 3.799 13.664 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -3.915 5.712 15.044 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.337 4.615 16.283 1.00 0.00 H new ATOM 0 HG LEU A 66 -1.647 3.732 14.705 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -1.226 4.931 12.606 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -2.831 4.162 12.615 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -2.684 5.916 12.878 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -0.226 5.743 14.707 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -1.654 6.748 15.051 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -1.097 5.554 16.247 1.00 0.00 H new ATOM 905 N ALA A 67 -3.440 2.028 16.187 1.00 0.00 N ATOM 906 CA ALA A 67 -2.877 0.738 16.548 1.00 0.00 C ATOM 907 C ALA A 67 -3.988 -0.258 16.834 1.00 0.00 C ATOM 908 O ALA A 67 -3.865 -1.456 16.560 1.00 0.00 O ATOM 909 CB ALA A 67 -1.975 0.880 17.763 1.00 0.00 C ATOM 0 H ALA A 67 -3.448 2.711 16.945 1.00 0.00 H new ATOM 0 HA ALA A 67 -2.283 0.370 15.712 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -1.559 -0.093 18.023 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -1.164 1.572 17.535 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -2.554 1.264 18.603 1.00 0.00 H new ATOM 915 N ARG A 68 -5.070 0.246 17.388 1.00 0.00 N ATOM 916 CA ARG A 68 -6.216 -0.569 17.699 1.00 0.00 C ATOM 917 C ARG A 68 -7.260 -0.408 16.621 1.00 0.00 C ATOM 918 O ARG A 68 -7.256 0.587 15.901 1.00 0.00 O ATOM 919 CB ARG A 68 -6.796 -0.183 19.057 1.00 0.00 C ATOM 920 CG ARG A 68 -5.865 -0.454 20.223 1.00 0.00 C ATOM 921 CD ARG A 68 -6.469 0.022 21.531 1.00 0.00 C ATOM 922 NE ARG A 68 -6.548 1.486 21.601 1.00 0.00 N ATOM 923 CZ ARG A 68 -7.608 2.168 22.059 1.00 0.00 C ATOM 924 NH1 ARG A 68 -8.704 1.523 22.446 1.00 0.00 N ATOM 925 NH2 ARG A 68 -7.568 3.494 22.135 1.00 0.00 N ATOM 0 H ARG A 68 -5.176 1.230 17.633 1.00 0.00 H new ATOM 0 HA ARG A 68 -5.905 -1.613 17.745 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -7.048 0.877 19.045 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -7.726 -0.730 19.213 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -5.656 -1.522 20.284 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -4.912 0.049 20.055 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -7.467 -0.401 21.644 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -5.870 -0.349 22.363 1.00 0.00 H new ATOM 0 HE ARG A 68 -5.742 2.021 21.279 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -8.741 0.505 22.395 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -9.508 2.046 22.794 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -6.729 3.996 21.844 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -8.376 4.009 22.484 1.00 0.00 H new ATOM 939 N PHE A 69 -8.140 -1.395 16.510 1.00 0.00 N ATOM 940 CA PHE A 69 -9.222 -1.408 15.519 1.00 0.00 C ATOM 941 C PHE A 69 -8.712 -1.552 14.077 1.00 0.00 C ATOM 942 O PHE A 69 -9.098 -2.484 13.381 1.00 0.00 O ATOM 943 CB PHE A 69 -10.134 -0.185 15.662 1.00 0.00 C ATOM 944 CG PHE A 69 -10.910 -0.158 16.947 1.00 0.00 C ATOM 945 CD1 PHE A 69 -12.062 -0.914 17.089 1.00 0.00 C ATOM 946 CD2 PHE A 69 -10.487 0.619 18.015 1.00 0.00 C ATOM 947 CE1 PHE A 69 -12.777 -0.897 18.270 1.00 0.00 C ATOM 948 CE2 PHE A 69 -11.198 0.640 19.197 1.00 0.00 C ATOM 949 CZ PHE A 69 -12.345 -0.119 19.325 1.00 0.00 C ATOM 0 H PHE A 69 -8.127 -2.220 17.109 1.00 0.00 H new ATOM 0 HA PHE A 69 -9.814 -2.298 15.731 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -9.528 0.719 15.595 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -10.832 -0.164 14.825 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -12.405 -1.524 16.266 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -9.591 1.214 17.920 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -13.673 -1.492 18.368 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -10.858 1.249 20.021 1.00 0.00 H new ATOM 0 HZ PHE A 69 -12.903 -0.104 20.250 1.00 0.00 H new ATOM 959 N ALA A 70 -7.847 -0.645 13.641 1.00 0.00 N ATOM 960 CA ALA A 70 -7.321 -0.680 12.279 1.00 0.00 C ATOM 961 C ALA A 70 -6.418 -1.891 12.063 1.00 0.00 C ATOM 962 O ALA A 70 -6.742 -2.788 11.275 1.00 0.00 O ATOM 963 CB ALA A 70 -6.567 0.604 11.973 1.00 0.00 C ATOM 0 H ALA A 70 -7.494 0.125 14.210 1.00 0.00 H new ATOM 0 HA ALA A 70 -8.165 -0.767 11.595 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -6.180 0.565 10.955 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -7.241 1.455 12.073 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -5.738 0.715 12.672 1.00 0.00 H new ATOM 969 N VAL A 71 -5.304 -1.934 12.779 1.00 0.00 N ATOM 970 CA VAL A 71 -4.370 -3.053 12.675 1.00 0.00 C ATOM 971 C VAL A 71 -5.033 -4.325 13.140 1.00 0.00 C ATOM 972 O VAL A 71 -4.828 -5.385 12.571 1.00 0.00 O ATOM 973 CB VAL A 71 -3.080 -2.802 13.500 1.00 0.00 C ATOM 974 CG1 VAL A 71 -2.106 -3.968 13.357 1.00 0.00 C ATOM 975 CG2 VAL A 71 -2.420 -1.499 13.064 1.00 0.00 C ATOM 0 H VAL A 71 -5.022 -1.209 13.439 1.00 0.00 H new ATOM 0 HA VAL A 71 -4.085 -3.150 11.627 1.00 0.00 H new ATOM 0 HB VAL A 71 -3.357 -2.720 14.551 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -1.210 -3.768 13.945 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -2.578 -4.883 13.716 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -1.833 -4.088 12.309 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -1.516 -1.335 13.651 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -2.161 -1.558 12.007 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -3.111 -0.671 13.222 1.00 0.00 H new ATOM 985 N GLN A 72 -5.877 -4.195 14.138 1.00 0.00 N ATOM 986 CA GLN A 72 -6.566 -5.334 14.708 1.00 0.00 C ATOM 987 C GLN A 72 -7.577 -5.925 13.721 1.00 0.00 C ATOM 988 O GLN A 72 -7.903 -7.104 13.794 1.00 0.00 O ATOM 989 CB GLN A 72 -7.251 -4.932 16.009 1.00 0.00 C ATOM 990 CG GLN A 72 -6.324 -4.207 16.981 1.00 0.00 C ATOM 991 CD GLN A 72 -5.060 -4.989 17.298 1.00 0.00 C ATOM 992 OE1 GLN A 72 -5.061 -6.218 17.321 1.00 0.00 O ATOM 993 NE2 GLN A 72 -3.970 -4.281 17.521 1.00 0.00 N ATOM 0 H GLN A 72 -6.106 -3.303 14.577 1.00 0.00 H new ATOM 0 HA GLN A 72 -5.828 -6.107 14.923 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -8.101 -4.289 15.780 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -7.648 -5.824 16.493 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -6.049 -3.240 16.559 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -6.863 -4.009 17.907 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -4.009 -3.262 17.493 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -3.088 -4.752 17.721 1.00 0.00 H new ATOM 1002 N ALA A 73 -8.064 -5.103 12.796 1.00 0.00 N ATOM 1003 CA ALA A 73 -9.005 -5.571 11.787 1.00 0.00 C ATOM 1004 C ALA A 73 -8.298 -6.441 10.770 1.00 0.00 C ATOM 1005 O ALA A 73 -8.723 -7.553 10.491 1.00 0.00 O ATOM 1006 CB ALA A 73 -9.687 -4.402 11.092 1.00 0.00 C ATOM 0 H ALA A 73 -7.823 -4.114 12.725 1.00 0.00 H new ATOM 0 HA ALA A 73 -9.770 -6.163 12.289 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -10.384 -4.780 10.344 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -10.230 -3.808 11.827 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -8.936 -3.779 10.606 1.00 0.00 H new ATOM 1012 N VAL A 74 -7.196 -5.935 10.234 1.00 0.00 N ATOM 1013 CA VAL A 74 -6.425 -6.670 9.238 1.00 0.00 C ATOM 1014 C VAL A 74 -5.733 -7.864 9.883 1.00 0.00 C ATOM 1015 O VAL A 74 -5.574 -8.917 9.268 1.00 0.00 O ATOM 1016 CB VAL A 74 -5.375 -5.767 8.547 1.00 0.00 C ATOM 1017 CG1 VAL A 74 -4.615 -6.539 7.473 1.00 0.00 C ATOM 1018 CG2 VAL A 74 -6.046 -4.544 7.947 1.00 0.00 C ATOM 0 H VAL A 74 -6.815 -5.019 10.471 1.00 0.00 H new ATOM 0 HA VAL A 74 -7.122 -7.020 8.477 1.00 0.00 H new ATOM 0 HB VAL A 74 -4.658 -5.439 9.300 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -3.883 -5.883 7.002 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -4.103 -7.387 7.928 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -5.316 -6.900 6.720 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -5.296 -3.918 7.464 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -6.785 -4.859 7.210 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -6.540 -3.976 8.736 1.00 0.00 H new ATOM 1028 N SER A 75 -5.351 -7.698 11.136 1.00 0.00 N ATOM 1029 CA SER A 75 -4.707 -8.751 11.893 1.00 0.00 C ATOM 1030 C SER A 75 -5.713 -9.874 12.205 1.00 0.00 C ATOM 1031 O SER A 75 -5.332 -10.983 12.590 1.00 0.00 O ATOM 1032 CB SER A 75 -4.124 -8.166 13.189 1.00 0.00 C ATOM 1033 OG SER A 75 -3.212 -9.063 13.811 1.00 0.00 O ATOM 0 H SER A 75 -5.479 -6.830 11.655 1.00 0.00 H new ATOM 0 HA SER A 75 -3.896 -9.178 11.303 1.00 0.00 H new ATOM 0 HB2 SER A 75 -3.616 -7.227 12.968 1.00 0.00 H new ATOM 0 HB3 SER A 75 -4.935 -7.935 13.880 1.00 0.00 H new ATOM 0 HG SER A 75 -3.498 -9.986 13.647 1.00 0.00 H new ATOM 1039 N ARG A 76 -6.995 -9.572 12.024 1.00 0.00 N ATOM 1040 CA ARG A 76 -8.064 -10.533 12.254 1.00 0.00 C ATOM 1041 C ARG A 76 -8.318 -11.350 10.987 1.00 0.00 C ATOM 1042 O ARG A 76 -8.966 -12.396 11.021 1.00 0.00 O ATOM 1043 CB ARG A 76 -9.336 -9.797 12.673 1.00 0.00 C ATOM 1044 CG ARG A 76 -10.487 -10.700 13.076 1.00 0.00 C ATOM 1045 CD ARG A 76 -11.714 -9.885 13.432 1.00 0.00 C ATOM 1046 NE ARG A 76 -12.225 -9.125 12.282 1.00 0.00 N ATOM 1047 CZ ARG A 76 -12.433 -7.803 12.279 1.00 0.00 C ATOM 1048 NH1 ARG A 76 -12.124 -7.070 13.349 1.00 0.00 N ATOM 1049 NH2 ARG A 76 -12.940 -7.211 11.198 1.00 0.00 N ATOM 0 H ARG A 76 -7.320 -8.656 11.714 1.00 0.00 H new ATOM 0 HA ARG A 76 -7.768 -11.214 13.052 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -9.100 -9.138 13.508 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -9.661 -9.163 11.848 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -10.723 -11.382 12.259 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -10.193 -11.313 13.928 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -12.495 -10.549 13.803 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -11.470 -9.197 14.241 1.00 0.00 H new ATOM 0 HE ARG A 76 -12.436 -9.641 11.428 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -11.727 -7.516 14.176 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -12.285 -6.063 13.341 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -13.169 -7.765 10.373 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -13.099 -6.203 11.195 1.00 0.00 H new ATOM 1063 N LEU A 77 -7.803 -10.857 9.871 1.00 0.00 N ATOM 1064 CA LEU A 77 -7.941 -11.530 8.587 1.00 0.00 C ATOM 1065 C LEU A 77 -6.857 -12.592 8.427 1.00 0.00 C ATOM 1066 O LEU A 77 -5.684 -12.265 8.237 1.00 0.00 O ATOM 1067 CB LEU A 77 -7.842 -10.521 7.438 1.00 0.00 C ATOM 1068 CG LEU A 77 -9.151 -9.903 6.935 1.00 0.00 C ATOM 1069 CD1 LEU A 77 -9.852 -9.126 8.035 1.00 0.00 C ATOM 1070 CD2 LEU A 77 -8.875 -9.006 5.731 1.00 0.00 C ATOM 0 H LEU A 77 -7.279 -9.983 9.829 1.00 0.00 H new ATOM 0 HA LEU A 77 -8.920 -12.008 8.557 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -7.186 -9.711 7.755 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -7.356 -11.014 6.596 1.00 0.00 H new ATOM 0 HG LEU A 77 -9.816 -10.710 6.629 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -10.777 -8.700 7.647 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -10.081 -9.795 8.864 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -9.202 -8.324 8.385 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -9.810 -8.571 5.380 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -8.190 -8.209 6.020 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -8.427 -9.597 4.932 1.00 0.00 H new ATOM 1171 N TYR A 86 -2.455 -10.159 -0.159 1.00 0.00 N ATOM 1172 CA TYR A 86 -2.695 -8.826 0.342 1.00 0.00 C ATOM 1173 C TYR A 86 -1.877 -7.814 -0.438 1.00 0.00 C ATOM 1174 O TYR A 86 -1.228 -8.149 -1.425 1.00 0.00 O ATOM 1175 CB TYR A 86 -2.354 -8.735 1.835 1.00 0.00 C ATOM 1176 CG TYR A 86 -3.357 -9.412 2.730 1.00 0.00 C ATOM 1177 CD1 TYR A 86 -3.319 -10.781 2.938 1.00 0.00 C ATOM 1178 CD2 TYR A 86 -4.351 -8.676 3.363 1.00 0.00 C ATOM 1179 CE1 TYR A 86 -4.242 -11.401 3.749 1.00 0.00 C ATOM 1180 CE2 TYR A 86 -5.279 -9.282 4.177 1.00 0.00 C ATOM 1181 CZ TYR A 86 -5.218 -10.654 4.366 1.00 0.00 C ATOM 1182 OH TYR A 86 -6.137 -11.277 5.161 1.00 0.00 O ATOM 0 HA TYR A 86 -3.754 -8.601 0.214 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -1.373 -9.181 2.002 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -2.279 -7.685 2.118 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -2.553 -11.371 2.456 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -4.396 -7.607 3.213 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -4.200 -12.470 3.900 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -6.046 -8.697 4.663 1.00 0.00 H new ATOM 0 HH TYR A 86 -5.733 -12.072 5.567 1.00 0.00 H new ATOM 1192 N ALA A 87 -1.884 -6.583 0.030 1.00 0.00 N ATOM 1193 CA ALA A 87 -1.132 -5.507 -0.601 1.00 0.00 C ATOM 1194 C ALA A 87 0.355 -5.613 -0.252 1.00 0.00 C ATOM 1195 O ALA A 87 1.080 -4.628 -0.283 1.00 0.00 O ATOM 1196 CB ALA A 87 -1.683 -4.174 -0.135 1.00 0.00 C ATOM 0 H ALA A 87 -2.408 -6.296 0.856 1.00 0.00 H new ATOM 0 HA ALA A 87 -1.234 -5.587 -1.683 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -1.123 -3.365 -0.604 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -2.734 -4.097 -0.413 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -1.588 -4.100 0.948 1.00 0.00 H new ATOM 1202 N GLN A 88 0.784 -6.823 0.052 1.00 0.00 N ATOM 1203 CA GLN A 88 2.140 -7.099 0.465 1.00 0.00 C ATOM 1204 C GLN A 88 3.053 -7.322 -0.726 1.00 0.00 C ATOM 1205 O GLN A 88 4.049 -6.628 -0.891 1.00 0.00 O ATOM 1206 CB GLN A 88 2.142 -8.306 1.383 1.00 0.00 C ATOM 1207 CG GLN A 88 1.506 -8.018 2.726 1.00 0.00 C ATOM 1208 CD GLN A 88 1.322 -9.250 3.564 1.00 0.00 C ATOM 1209 OE1 GLN A 88 2.069 -10.213 3.444 1.00 0.00 O ATOM 1210 NE2 GLN A 88 0.326 -9.225 4.429 1.00 0.00 N ATOM 0 H GLN A 88 0.189 -7.651 0.017 1.00 0.00 H new ATOM 0 HA GLN A 88 2.527 -6.233 1.002 1.00 0.00 H new ATOM 0 HB2 GLN A 88 1.609 -9.125 0.901 1.00 0.00 H new ATOM 0 HB3 GLN A 88 3.168 -8.640 1.535 1.00 0.00 H new ATOM 0 HG2 GLN A 88 2.125 -7.305 3.270 1.00 0.00 H new ATOM 0 HG3 GLN A 88 0.537 -7.544 2.569 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -0.272 -8.401 4.495 1.00 0.00 H new ATOM 0 HE22 GLN A 88 0.154 -10.030 5.032 1.00 0.00 H new ATOM 1219 N ALA A 89 2.706 -8.277 -1.565 1.00 0.00 N ATOM 1220 CA ALA A 89 3.500 -8.553 -2.749 1.00 0.00 C ATOM 1221 C ALA A 89 3.404 -7.389 -3.724 1.00 0.00 C ATOM 1222 O ALA A 89 4.333 -7.107 -4.477 1.00 0.00 O ATOM 1223 CB ALA A 89 3.036 -9.841 -3.410 1.00 0.00 C ATOM 0 H ALA A 89 1.886 -8.872 -1.452 1.00 0.00 H new ATOM 0 HA ALA A 89 4.542 -8.676 -2.453 1.00 0.00 H new ATOM 0 HB1 ALA A 89 3.641 -10.034 -4.296 1.00 0.00 H new ATOM 0 HB2 ALA A 89 3.144 -10.669 -2.709 1.00 0.00 H new ATOM 0 HB3 ALA A 89 1.989 -9.745 -3.699 1.00 0.00 H new ATOM 1229 N PHE A 90 2.273 -6.703 -3.681 1.00 0.00 N ATOM 1230 CA PHE A 90 2.018 -5.576 -4.559 1.00 0.00 C ATOM 1231 C PHE A 90 2.609 -4.275 -4.010 1.00 0.00 C ATOM 1232 O PHE A 90 2.434 -3.215 -4.614 1.00 0.00 O ATOM 1233 CB PHE A 90 0.515 -5.415 -4.793 1.00 0.00 C ATOM 1234 CG PHE A 90 -0.120 -6.591 -5.478 1.00 0.00 C ATOM 1235 CD1 PHE A 90 -0.118 -6.684 -6.859 1.00 0.00 C ATOM 1236 CD2 PHE A 90 -0.715 -7.605 -4.743 1.00 0.00 C ATOM 1237 CE1 PHE A 90 -0.696 -7.764 -7.496 1.00 0.00 C ATOM 1238 CE2 PHE A 90 -1.295 -8.688 -5.372 1.00 0.00 C ATOM 1239 CZ PHE A 90 -1.285 -8.769 -6.752 1.00 0.00 C ATOM 0 H PHE A 90 1.509 -6.912 -3.038 1.00 0.00 H new ATOM 0 HA PHE A 90 2.511 -5.785 -5.508 1.00 0.00 H new ATOM 0 HB2 PHE A 90 0.022 -5.255 -3.834 1.00 0.00 H new ATOM 0 HB3 PHE A 90 0.344 -4.521 -5.392 1.00 0.00 H new ATOM 0 HD1 PHE A 90 0.341 -5.902 -7.446 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -0.725 -7.547 -3.665 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -0.688 -7.823 -8.574 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -1.756 -9.471 -4.787 1.00 0.00 H new ATOM 0 HZ PHE A 90 -1.736 -9.616 -7.248 1.00 0.00 H new ATOM 1249 N SER A 91 3.324 -4.359 -2.878 1.00 0.00 N ATOM 1250 CA SER A 91 3.924 -3.176 -2.244 1.00 0.00 C ATOM 1251 C SER A 91 4.733 -2.348 -3.231 1.00 0.00 C ATOM 1252 O SER A 91 4.747 -1.130 -3.155 1.00 0.00 O ATOM 1253 CB SER A 91 4.809 -3.577 -1.063 1.00 0.00 C ATOM 1254 OG SER A 91 4.043 -4.158 -0.032 1.00 0.00 O ATOM 0 H SER A 91 3.501 -5.233 -2.383 1.00 0.00 H new ATOM 0 HA SER A 91 3.099 -2.562 -1.882 1.00 0.00 H new ATOM 0 HB2 SER A 91 5.570 -4.282 -1.397 1.00 0.00 H new ATOM 0 HB3 SER A 91 5.332 -2.700 -0.682 1.00 0.00 H new ATOM 0 HG SER A 91 4.188 -5.127 -0.023 1.00 0.00 H new ATOM 1260 N SER A 92 5.394 -3.015 -4.153 1.00 0.00 N ATOM 1261 CA SER A 92 6.202 -2.335 -5.154 1.00 0.00 C ATOM 1262 C SER A 92 5.419 -1.264 -5.923 1.00 0.00 C ATOM 1263 O SER A 92 5.838 -0.106 -5.981 1.00 0.00 O ATOM 1264 CB SER A 92 6.806 -3.343 -6.115 1.00 0.00 C ATOM 1265 OG SER A 92 7.703 -4.203 -5.438 1.00 0.00 O ATOM 0 H SER A 92 5.390 -4.032 -4.234 1.00 0.00 H new ATOM 0 HA SER A 92 7.000 -1.818 -4.621 1.00 0.00 H new ATOM 0 HB2 SER A 92 6.014 -3.929 -6.581 1.00 0.00 H new ATOM 0 HB3 SER A 92 7.329 -2.821 -6.916 1.00 0.00 H new ATOM 0 HG SER A 92 7.604 -5.115 -5.782 1.00 0.00 H new ATOM 1271 N ALA A 93 4.289 -1.645 -6.488 1.00 0.00 N ATOM 1272 CA ALA A 93 3.491 -0.727 -7.288 1.00 0.00 C ATOM 1273 C ALA A 93 2.592 0.151 -6.422 1.00 0.00 C ATOM 1274 O ALA A 93 2.181 1.227 -6.838 1.00 0.00 O ATOM 1275 CB ALA A 93 2.659 -1.501 -8.300 1.00 0.00 C ATOM 0 H ALA A 93 3.900 -2.585 -6.409 1.00 0.00 H new ATOM 0 HA ALA A 93 4.179 -0.067 -7.817 1.00 0.00 H new ATOM 0 HB1 ALA A 93 2.066 -0.804 -8.893 1.00 0.00 H new ATOM 0 HB2 ALA A 93 3.319 -2.066 -8.958 1.00 0.00 H new ATOM 0 HB3 ALA A 93 1.995 -2.188 -7.776 1.00 0.00 H new ATOM 1281 N LEU A 94 2.276 -0.321 -5.231 1.00 0.00 N ATOM 1282 CA LEU A 94 1.385 0.408 -4.342 1.00 0.00 C ATOM 1283 C LEU A 94 2.114 1.464 -3.511 1.00 0.00 C ATOM 1284 O LEU A 94 1.568 2.522 -3.232 1.00 0.00 O ATOM 1285 CB LEU A 94 0.641 -0.558 -3.427 1.00 0.00 C ATOM 1286 CG LEU A 94 -0.117 -1.685 -4.128 1.00 0.00 C ATOM 1287 CD1 LEU A 94 -0.889 -2.512 -3.125 1.00 0.00 C ATOM 1288 CD2 LEU A 94 -1.040 -1.133 -5.202 1.00 0.00 C ATOM 0 H LEU A 94 2.621 -1.204 -4.855 1.00 0.00 H new ATOM 0 HA LEU A 94 0.671 0.935 -4.974 1.00 0.00 H new ATOM 0 HB2 LEU A 94 1.359 -1.002 -2.737 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -0.067 0.012 -2.826 1.00 0.00 H new ATOM 0 HG LEU A 94 0.612 -2.333 -4.615 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -1.422 -3.309 -3.644 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -0.198 -2.947 -2.403 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -1.605 -1.877 -2.604 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -1.568 -1.955 -5.686 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -1.763 -0.455 -4.748 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -0.452 -0.592 -5.944 1.00 0.00 H new ATOM 1300 N PHE A 95 3.333 1.164 -3.102 1.00 0.00 N ATOM 1301 CA PHE A 95 4.099 2.075 -2.257 1.00 0.00 C ATOM 1302 C PHE A 95 4.843 3.121 -3.090 1.00 0.00 C ATOM 1303 O PHE A 95 4.874 4.293 -2.727 1.00 0.00 O ATOM 1304 CB PHE A 95 5.081 1.278 -1.375 1.00 0.00 C ATOM 1305 CG PHE A 95 5.824 2.099 -0.354 1.00 0.00 C ATOM 1306 CD1 PHE A 95 5.215 2.460 0.839 1.00 0.00 C ATOM 1307 CD2 PHE A 95 7.134 2.494 -0.580 1.00 0.00 C ATOM 1308 CE1 PHE A 95 5.898 3.204 1.785 1.00 0.00 C ATOM 1309 CE2 PHE A 95 7.820 3.237 0.361 1.00 0.00 C ATOM 1310 CZ PHE A 95 7.201 3.592 1.545 1.00 0.00 C ATOM 0 H PHE A 95 3.818 0.298 -3.339 1.00 0.00 H new ATOM 0 HA PHE A 95 3.400 2.609 -1.613 1.00 0.00 H new ATOM 0 HB2 PHE A 95 4.528 0.494 -0.857 1.00 0.00 H new ATOM 0 HB3 PHE A 95 5.807 0.783 -2.020 1.00 0.00 H new ATOM 0 HD1 PHE A 95 4.196 2.157 1.032 1.00 0.00 H new ATOM 0 HD2 PHE A 95 7.623 2.218 -1.502 1.00 0.00 H new ATOM 0 HE1 PHE A 95 5.413 3.481 2.709 1.00 0.00 H new ATOM 0 HE2 PHE A 95 8.839 3.540 0.172 1.00 0.00 H new ATOM 0 HZ PHE A 95 7.736 4.172 2.282 1.00 0.00 H new ATOM 1320 N ASN A 96 5.419 2.682 -4.218 1.00 0.00 N ATOM 1321 CA ASN A 96 6.214 3.558 -5.105 1.00 0.00 C ATOM 1322 C ASN A 96 7.430 4.137 -4.383 1.00 0.00 C ATOM 1323 O ASN A 96 7.368 5.203 -3.774 1.00 0.00 O ATOM 1324 CB ASN A 96 5.365 4.683 -5.727 1.00 0.00 C ATOM 1325 CG ASN A 96 4.658 4.255 -7.000 1.00 0.00 C ATOM 1326 OD1 ASN A 96 5.187 4.415 -8.096 1.00 0.00 O ATOM 1327 ND2 ASN A 96 3.465 3.723 -6.869 1.00 0.00 N ATOM 0 H ASN A 96 5.351 1.718 -4.544 1.00 0.00 H new ATOM 0 HA ASN A 96 6.571 2.928 -5.920 1.00 0.00 H new ATOM 0 HB2 ASN A 96 4.624 5.016 -5.000 1.00 0.00 H new ATOM 0 HB3 ASN A 96 6.006 5.538 -5.943 1.00 0.00 H new ATOM 0 HD21 ASN A 96 2.945 3.427 -7.695 1.00 0.00 H new ATOM 0 HD22 ASN A 96 3.058 3.606 -5.941 1.00 0.00 H new ATOM 1334 N ALA A 97 8.541 3.422 -4.469 1.00 0.00 N ATOM 1335 CA ALA A 97 9.777 3.827 -3.802 1.00 0.00 C ATOM 1336 C ALA A 97 10.580 4.821 -4.646 1.00 0.00 C ATOM 1337 O ALA A 97 11.649 5.270 -4.239 1.00 0.00 O ATOM 1338 CB ALA A 97 10.620 2.601 -3.483 1.00 0.00 C ATOM 0 H ALA A 97 8.616 2.552 -4.997 1.00 0.00 H new ATOM 0 HA ALA A 97 9.506 4.331 -2.874 1.00 0.00 H new ATOM 0 HB1 ALA A 97 11.539 2.911 -2.986 1.00 0.00 H new ATOM 0 HB2 ALA A 97 10.060 1.935 -2.827 1.00 0.00 H new ATOM 0 HB3 ALA A 97 10.866 2.078 -4.407 1.00 0.00 H new ATOM 1344 N GLY A 98 10.069 5.144 -5.825 1.00 0.00 N ATOM 1345 CA GLY A 98 10.751 6.084 -6.698 1.00 0.00 C ATOM 1346 C GLY A 98 11.841 5.432 -7.521 1.00 0.00 C ATOM 1347 O GLY A 98 12.471 6.078 -8.352 1.00 0.00 O ATOM 0 H GLY A 98 9.194 4.773 -6.195 1.00 0.00 H new ATOM 0 HA2 GLY A 98 10.024 6.546 -7.366 1.00 0.00 H new ATOM 0 HA3 GLY A 98 11.184 6.883 -6.097 1.00 0.00 H new ATOM 1351 N VAL A 99 12.060 4.150 -7.291 1.00 0.00 N ATOM 1352 CA VAL A 99 13.090 3.408 -8.010 1.00 0.00 C ATOM 1353 C VAL A 99 12.457 2.590 -9.124 1.00 0.00 C ATOM 1354 O VAL A 99 13.139 2.107 -10.026 1.00 0.00 O ATOM 1355 CB VAL A 99 13.863 2.455 -7.066 1.00 0.00 C ATOM 1356 CG1 VAL A 99 15.122 1.918 -7.742 1.00 0.00 C ATOM 1357 CG2 VAL A 99 14.203 3.151 -5.756 1.00 0.00 C ATOM 0 H VAL A 99 11.539 3.596 -6.611 1.00 0.00 H new ATOM 0 HA VAL A 99 13.790 4.133 -8.425 1.00 0.00 H new ATOM 0 HB VAL A 99 13.217 1.606 -6.840 1.00 0.00 H new ATOM 0 HG11 VAL A 99 15.646 1.251 -7.057 1.00 0.00 H new ATOM 0 HG12 VAL A 99 14.846 1.369 -8.642 1.00 0.00 H new ATOM 0 HG13 VAL A 99 15.774 2.749 -8.009 1.00 0.00 H new ATOM 0 HG21 VAL A 99 14.746 2.463 -5.108 1.00 0.00 H new ATOM 0 HG22 VAL A 99 14.823 4.024 -5.958 1.00 0.00 H new ATOM 0 HG23 VAL A 99 13.284 3.465 -5.262 1.00 0.00 H new ATOM 1367 N LEU A 100 11.142 2.479 -9.071 1.00 0.00 N ATOM 1368 CA LEU A 100 10.400 1.684 -10.033 1.00 0.00 C ATOM 1369 C LEU A 100 10.129 2.488 -11.281 1.00 0.00 C ATOM 1370 O LEU A 100 10.298 3.706 -11.290 1.00 0.00 O ATOM 1371 CB LEU A 100 9.064 1.211 -9.444 1.00 0.00 C ATOM 1372 CG LEU A 100 7.974 2.283 -9.281 1.00 0.00 C ATOM 1373 CD1 LEU A 100 6.611 1.634 -9.134 1.00 0.00 C ATOM 1374 CD2 LEU A 100 8.262 3.185 -8.091 1.00 0.00 C ATOM 0 H LEU A 100 10.562 2.933 -8.366 1.00 0.00 H new ATOM 0 HA LEU A 100 11.008 0.814 -10.280 1.00 0.00 H new ATOM 0 HB2 LEU A 100 8.671 0.418 -10.080 1.00 0.00 H new ATOM 0 HB3 LEU A 100 9.258 0.769 -8.467 1.00 0.00 H new ATOM 0 HG LEU A 100 7.974 2.901 -10.179 1.00 0.00 H new ATOM 0 HD11 LEU A 100 5.851 2.407 -9.020 1.00 0.00 H new ATOM 0 HD12 LEU A 100 6.394 1.039 -10.021 1.00 0.00 H new ATOM 0 HD13 LEU A 100 6.608 0.989 -8.255 1.00 0.00 H new ATOM 0 HD21 LEU A 100 7.474 3.933 -8.002 1.00 0.00 H new ATOM 0 HD22 LEU A 100 8.299 2.586 -7.181 1.00 0.00 H new ATOM 0 HD23 LEU A 100 9.220 3.684 -8.236 1.00 0.00 H new ATOM 1386 N ASN A 101 9.695 1.812 -12.321 1.00 0.00 N ATOM 1387 CA ASN A 101 9.398 2.457 -13.572 1.00 0.00 C ATOM 1388 C ASN A 101 8.058 3.170 -13.495 1.00 0.00 C ATOM 1389 O ASN A 101 6.986 2.547 -13.527 1.00 0.00 O ATOM 1390 CB ASN A 101 9.446 1.450 -14.745 1.00 0.00 C ATOM 1391 CG ASN A 101 8.579 0.209 -14.534 1.00 0.00 C ATOM 1392 OD1 ASN A 101 8.373 -0.245 -13.407 1.00 0.00 O ATOM 1393 ND2 ASN A 101 8.071 -0.343 -15.616 1.00 0.00 N ATOM 0 H ASN A 101 9.540 0.804 -12.320 1.00 0.00 H new ATOM 0 HA ASN A 101 10.165 3.207 -13.765 1.00 0.00 H new ATOM 0 HB2 ASN A 101 9.125 1.954 -15.657 1.00 0.00 H new ATOM 0 HB3 ASN A 101 10.479 1.137 -14.900 1.00 0.00 H new ATOM 0 HD21 ASN A 101 7.485 -1.174 -15.537 1.00 0.00 H new ATOM 0 HD22 ASN A 101 8.263 0.061 -16.533 1.00 0.00 H new ATOM 1400 N ALA A 102 8.125 4.488 -13.379 1.00 0.00 N ATOM 1401 CA ALA A 102 6.940 5.325 -13.269 1.00 0.00 C ATOM 1402 C ALA A 102 6.157 5.319 -14.569 1.00 0.00 C ATOM 1403 O ALA A 102 4.995 5.733 -14.612 1.00 0.00 O ATOM 1404 CB ALA A 102 7.329 6.745 -12.884 1.00 0.00 C ATOM 0 H ALA A 102 9.003 5.007 -13.358 1.00 0.00 H new ATOM 0 HA ALA A 102 6.301 4.917 -12.486 1.00 0.00 H new ATOM 0 HB1 ALA A 102 6.432 7.359 -12.806 1.00 0.00 H new ATOM 0 HB2 ALA A 102 7.846 6.733 -11.924 1.00 0.00 H new ATOM 0 HB3 ALA A 102 7.988 7.161 -13.646 1.00 0.00 H new ATOM 1410 N SER A 103 6.785 4.814 -15.615 1.00 0.00 N ATOM 1411 CA SER A 103 6.165 4.730 -16.905 1.00 0.00 C ATOM 1412 C SER A 103 5.062 3.699 -16.858 1.00 0.00 C ATOM 1413 O SER A 103 4.022 3.860 -17.476 1.00 0.00 O ATOM 1414 CB SER A 103 7.211 4.369 -17.955 1.00 0.00 C ATOM 1415 OG SER A 103 8.079 3.352 -17.469 1.00 0.00 O ATOM 0 H SER A 103 7.739 4.453 -15.584 1.00 0.00 H new ATOM 0 HA SER A 103 5.731 5.692 -17.176 1.00 0.00 H new ATOM 0 HB2 SER A 103 6.718 4.029 -18.865 1.00 0.00 H new ATOM 0 HB3 SER A 103 7.790 5.254 -18.218 1.00 0.00 H new ATOM 0 HG SER A 103 8.742 3.132 -18.156 1.00 0.00 H new ATOM 1421 N ASN A 104 5.284 2.656 -16.073 1.00 0.00 N ATOM 1422 CA ASN A 104 4.302 1.608 -15.901 1.00 0.00 C ATOM 1423 C ASN A 104 3.102 2.148 -15.130 1.00 0.00 C ATOM 1424 O ASN A 104 1.946 1.806 -15.415 1.00 0.00 O ATOM 1425 CB ASN A 104 4.952 0.397 -15.198 1.00 0.00 C ATOM 1426 CG ASN A 104 4.177 -0.134 -13.992 1.00 0.00 C ATOM 1427 OD1 ASN A 104 3.217 -0.891 -14.132 1.00 0.00 O ATOM 1428 ND2 ASN A 104 4.627 0.224 -12.801 1.00 0.00 N ATOM 0 H ASN A 104 6.144 2.517 -15.543 1.00 0.00 H new ATOM 0 HA ASN A 104 3.941 1.269 -16.872 1.00 0.00 H new ATOM 0 HB2 ASN A 104 5.065 -0.409 -15.923 1.00 0.00 H new ATOM 0 HB3 ASN A 104 5.954 0.677 -14.874 1.00 0.00 H new ATOM 0 HD21 ASN A 104 4.175 -0.130 -11.958 1.00 0.00 H new ATOM 0 HD22 ASN A 104 5.426 0.854 -12.726 1.00 0.00 H new ATOM 1435 N ILE A 105 3.384 3.034 -14.187 1.00 0.00 N ATOM 1436 CA ILE A 105 2.350 3.656 -13.387 1.00 0.00 C ATOM 1437 C ILE A 105 1.494 4.601 -14.228 1.00 0.00 C ATOM 1438 O ILE A 105 0.274 4.618 -14.102 1.00 0.00 O ATOM 1439 CB ILE A 105 2.952 4.431 -12.179 1.00 0.00 C ATOM 1440 CG1 ILE A 105 3.803 3.498 -11.307 1.00 0.00 C ATOM 1441 CG2 ILE A 105 1.854 5.086 -11.351 1.00 0.00 C ATOM 1442 CD1 ILE A 105 3.055 2.282 -10.801 1.00 0.00 C ATOM 0 H ILE A 105 4.331 3.338 -13.959 1.00 0.00 H new ATOM 0 HA ILE A 105 1.719 2.854 -13.005 1.00 0.00 H new ATOM 0 HB ILE A 105 3.596 5.218 -12.570 1.00 0.00 H new ATOM 0 HG12 ILE A 105 4.668 3.167 -11.882 1.00 0.00 H new ATOM 0 HG13 ILE A 105 4.183 4.060 -10.454 1.00 0.00 H new ATOM 0 HG21 ILE A 105 2.300 5.621 -10.513 1.00 0.00 H new ATOM 0 HG22 ILE A 105 1.297 5.786 -11.974 1.00 0.00 H new ATOM 0 HG23 ILE A 105 1.177 4.320 -10.973 1.00 0.00 H new ATOM 0 HD11 ILE A 105 3.722 1.671 -10.193 1.00 0.00 H new ATOM 0 HD12 ILE A 105 2.206 2.602 -10.198 1.00 0.00 H new ATOM 0 HD13 ILE A 105 2.698 1.696 -11.648 1.00 0.00 H new ATOM 1454 N ASP A 106 2.125 5.371 -15.096 1.00 0.00 N ATOM 1455 CA ASP A 106 1.385 6.317 -15.929 1.00 0.00 C ATOM 1456 C ASP A 106 0.735 5.620 -17.125 1.00 0.00 C ATOM 1457 O ASP A 106 -0.188 6.144 -17.736 1.00 0.00 O ATOM 1458 CB ASP A 106 2.289 7.459 -16.400 1.00 0.00 C ATOM 1459 CG ASP A 106 1.502 8.581 -17.054 1.00 0.00 C ATOM 1460 OD1 ASP A 106 0.701 9.240 -16.350 1.00 0.00 O ATOM 1461 OD2 ASP A 106 1.681 8.819 -18.269 1.00 0.00 O ATOM 0 H ASP A 106 3.134 5.365 -15.246 1.00 0.00 H new ATOM 0 HA ASP A 106 0.590 6.739 -15.314 1.00 0.00 H new ATOM 0 HB2 ASP A 106 2.844 7.855 -15.550 1.00 0.00 H new ATOM 0 HB3 ASP A 106 3.022 7.072 -17.107 1.00 0.00 H new ATOM 1466 N THR A 107 1.205 4.434 -17.445 1.00 0.00 N ATOM 1467 CA THR A 107 0.647 3.696 -18.561 1.00 0.00 C ATOM 1468 C THR A 107 -0.629 2.961 -18.160 1.00 0.00 C ATOM 1469 O THR A 107 -1.697 3.204 -18.725 1.00 0.00 O ATOM 1470 CB THR A 107 1.665 2.699 -19.160 1.00 0.00 C ATOM 1471 OG1 THR A 107 2.780 3.418 -19.701 1.00 0.00 O ATOM 1472 CG2 THR A 107 1.029 1.855 -20.256 1.00 0.00 C ATOM 0 H THR A 107 1.965 3.962 -16.955 1.00 0.00 H new ATOM 0 HA THR A 107 0.400 4.430 -19.328 1.00 0.00 H new ATOM 0 HB THR A 107 1.999 2.034 -18.364 1.00 0.00 H new ATOM 0 HG1 THR A 107 3.510 3.430 -19.047 1.00 0.00 H new ATOM 0 HG21 THR A 107 1.769 1.163 -20.658 1.00 0.00 H new ATOM 0 HG22 THR A 107 0.193 1.291 -19.842 1.00 0.00 H new ATOM 0 HG23 THR A 107 0.669 2.505 -21.053 1.00 0.00 H new ATOM 1480 N LEU A 108 -0.531 2.088 -17.173 1.00 0.00 N ATOM 1481 CA LEU A 108 -1.682 1.298 -16.769 1.00 0.00 C ATOM 1482 C LEU A 108 -1.979 1.415 -15.283 1.00 0.00 C ATOM 1483 O LEU A 108 -3.099 1.169 -14.856 1.00 0.00 O ATOM 1484 CB LEU A 108 -1.502 -0.169 -17.194 1.00 0.00 C ATOM 1485 CG LEU A 108 -0.124 -0.790 -16.932 1.00 0.00 C ATOM 1486 CD1 LEU A 108 0.018 -1.237 -15.485 1.00 0.00 C ATOM 1487 CD2 LEU A 108 0.126 -1.947 -17.885 1.00 0.00 C ATOM 0 H LEU A 108 0.321 1.909 -16.642 1.00 0.00 H new ATOM 0 HA LEU A 108 -2.552 1.704 -17.285 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -2.251 -0.769 -16.677 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -1.714 -0.244 -18.261 1.00 0.00 H new ATOM 0 HG LEU A 108 0.630 -0.024 -17.113 1.00 0.00 H new ATOM 0 HD11 LEU A 108 1.006 -1.672 -15.334 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -0.105 -0.378 -14.825 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -0.745 -1.981 -15.258 1.00 0.00 H new ATOM 0 HD21 LEU A 108 1.108 -2.377 -17.686 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -0.640 -2.709 -17.741 1.00 0.00 H new ATOM 0 HD23 LEU A 108 0.089 -1.586 -18.913 1.00 0.00 H new ATOM 1499 N GLY A 109 -0.987 1.817 -14.505 1.00 0.00 N ATOM 1500 CA GLY A 109 -1.172 1.934 -13.072 1.00 0.00 C ATOM 1501 C GLY A 109 -2.312 2.872 -12.689 1.00 0.00 C ATOM 1502 O GLY A 109 -3.346 2.436 -12.191 1.00 0.00 O ATOM 0 H GLY A 109 -0.056 2.065 -14.839 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -1.367 0.946 -12.655 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -0.247 2.293 -12.621 1.00 0.00 H new ATOM 1506 N SER A 110 -2.127 4.149 -12.940 1.00 0.00 N ATOM 1507 CA SER A 110 -3.113 5.161 -12.585 1.00 0.00 C ATOM 1508 C SER A 110 -4.398 5.026 -13.408 1.00 0.00 C ATOM 1509 O SER A 110 -5.441 5.560 -13.038 1.00 0.00 O ATOM 1510 CB SER A 110 -2.505 6.550 -12.763 1.00 0.00 C ATOM 1511 OG SER A 110 -1.789 6.631 -13.990 1.00 0.00 O ATOM 0 H SER A 110 -1.293 4.521 -13.395 1.00 0.00 H new ATOM 0 HA SER A 110 -3.388 5.013 -11.541 1.00 0.00 H new ATOM 0 HB2 SER A 110 -3.293 7.303 -12.746 1.00 0.00 H new ATOM 0 HB3 SER A 110 -1.836 6.769 -11.931 1.00 0.00 H new ATOM 0 HG SER A 110 -1.158 7.380 -13.952 1.00 0.00 H new ATOM 1517 N ARG A 111 -4.318 4.294 -14.506 1.00 0.00 N ATOM 1518 CA ARG A 111 -5.462 4.112 -15.383 1.00 0.00 C ATOM 1519 C ARG A 111 -6.359 2.975 -14.909 1.00 0.00 C ATOM 1520 O ARG A 111 -7.577 3.114 -14.884 1.00 0.00 O ATOM 1521 CB ARG A 111 -5.011 3.873 -16.829 1.00 0.00 C ATOM 1522 CG ARG A 111 -4.733 5.154 -17.620 1.00 0.00 C ATOM 1523 CD ARG A 111 -3.624 5.997 -17.000 1.00 0.00 C ATOM 1524 NE ARG A 111 -3.431 7.258 -17.729 1.00 0.00 N ATOM 1525 CZ ARG A 111 -2.529 8.199 -17.420 1.00 0.00 C ATOM 1526 NH1 ARG A 111 -1.786 8.086 -16.327 1.00 0.00 N ATOM 1527 NH2 ARG A 111 -2.400 9.271 -18.194 1.00 0.00 N ATOM 0 H ARG A 111 -3.471 3.815 -14.812 1.00 0.00 H new ATOM 0 HA ARG A 111 -6.046 5.032 -15.349 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -4.108 3.262 -16.820 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -5.779 3.299 -17.347 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -4.458 4.893 -18.642 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -5.646 5.747 -17.677 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -3.868 6.211 -15.959 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -2.693 5.430 -16.999 1.00 0.00 H new ATOM 0 HE ARG A 111 -4.032 7.431 -18.535 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -1.899 7.278 -15.715 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -1.101 8.807 -16.099 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -2.987 9.376 -19.021 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -1.714 9.989 -17.961 1.00 0.00 H new ATOM 1541 N VAL A 112 -5.759 1.852 -14.550 1.00 0.00 N ATOM 1542 CA VAL A 112 -6.526 0.703 -14.086 1.00 0.00 C ATOM 1543 C VAL A 112 -6.846 0.805 -12.591 1.00 0.00 C ATOM 1544 O VAL A 112 -8.002 0.661 -12.191 1.00 0.00 O ATOM 1545 CB VAL A 112 -5.799 -0.626 -14.379 1.00 0.00 C ATOM 1546 CG1 VAL A 112 -6.654 -1.811 -13.947 1.00 0.00 C ATOM 1547 CG2 VAL A 112 -5.454 -0.726 -15.860 1.00 0.00 C ATOM 0 H VAL A 112 -4.749 1.710 -14.570 1.00 0.00 H new ATOM 0 HA VAL A 112 -7.464 0.711 -14.642 1.00 0.00 H new ATOM 0 HB VAL A 112 -4.872 -0.647 -13.806 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -6.124 -2.739 -14.162 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -6.853 -1.746 -12.877 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -7.597 -1.797 -14.493 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -4.942 -1.669 -16.051 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -6.369 -0.684 -16.450 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -4.804 0.103 -16.139 1.00 0.00 H new ATOM 1557 N LEU A 113 -5.815 1.061 -11.774 1.00 0.00 N ATOM 1558 CA LEU A 113 -5.991 1.167 -10.319 1.00 0.00 C ATOM 1559 C LEU A 113 -6.747 2.439 -9.970 1.00 0.00 C ATOM 1560 O LEU A 113 -7.505 2.479 -9.008 1.00 0.00 O ATOM 1561 CB LEU A 113 -4.636 1.145 -9.577 1.00 0.00 C ATOM 1562 CG LEU A 113 -3.846 -0.176 -9.605 1.00 0.00 C ATOM 1563 CD1 LEU A 113 -3.284 -0.455 -10.985 1.00 0.00 C ATOM 1564 CD2 LEU A 113 -2.731 -0.149 -8.572 1.00 0.00 C ATOM 0 H LEU A 113 -4.856 1.198 -12.093 1.00 0.00 H new ATOM 0 HA LEU A 113 -6.568 0.301 -9.995 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -4.005 1.926 -10.001 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -4.816 1.410 -8.535 1.00 0.00 H new ATOM 0 HG LEU A 113 -4.535 -0.983 -9.357 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -2.732 -1.395 -10.970 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -4.101 -0.525 -11.703 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -2.614 0.354 -11.276 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -2.182 -1.090 -8.605 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -2.052 0.675 -8.791 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -3.159 -0.013 -7.579 1.00 0.00 H new ATOM 1576 N SER A 114 -6.497 3.478 -10.756 1.00 0.00 N ATOM 1577 CA SER A 114 -7.181 4.766 -10.642 1.00 0.00 C ATOM 1578 C SER A 114 -7.247 5.320 -9.204 1.00 0.00 C ATOM 1579 O SER A 114 -6.274 5.902 -8.707 1.00 0.00 O ATOM 1580 CB SER A 114 -8.584 4.666 -11.240 1.00 0.00 C ATOM 1581 OG SER A 114 -8.533 4.274 -12.598 1.00 0.00 O ATOM 0 H SER A 114 -5.803 3.452 -11.503 1.00 0.00 H new ATOM 0 HA SER A 114 -6.581 5.480 -11.206 1.00 0.00 H new ATOM 0 HB2 SER A 114 -9.174 3.946 -10.673 1.00 0.00 H new ATOM 0 HB3 SER A 114 -9.088 5.629 -11.155 1.00 0.00 H new ATOM 0 HG SER A 114 -7.625 4.404 -12.942 1.00 0.00 H new ATOM 1587 N ALA A 115 -8.387 5.085 -8.541 1.00 0.00 N ATOM 1588 CA ALA A 115 -8.682 5.644 -7.222 1.00 0.00 C ATOM 1589 C ALA A 115 -7.584 5.392 -6.205 1.00 0.00 C ATOM 1590 O ALA A 115 -7.296 6.257 -5.373 1.00 0.00 O ATOM 1591 CB ALA A 115 -10.010 5.106 -6.710 1.00 0.00 C ATOM 0 H ALA A 115 -9.134 4.497 -8.911 1.00 0.00 H new ATOM 0 HA ALA A 115 -8.745 6.725 -7.348 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -10.219 5.529 -5.727 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -10.806 5.383 -7.401 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -9.958 4.020 -6.634 1.00 0.00 H new ATOM 1597 N LEU A 116 -6.963 4.230 -6.272 1.00 0.00 N ATOM 1598 CA LEU A 116 -5.932 3.891 -5.316 1.00 0.00 C ATOM 1599 C LEU A 116 -4.675 4.733 -5.509 1.00 0.00 C ATOM 1600 O LEU A 116 -4.277 5.470 -4.613 1.00 0.00 O ATOM 1601 CB LEU A 116 -5.575 2.404 -5.376 1.00 0.00 C ATOM 1602 CG LEU A 116 -4.524 1.957 -4.354 1.00 0.00 C ATOM 1603 CD1 LEU A 116 -5.018 2.195 -2.935 1.00 0.00 C ATOM 1604 CD2 LEU A 116 -4.168 0.504 -4.554 1.00 0.00 C ATOM 0 H LEU A 116 -7.153 3.513 -6.972 1.00 0.00 H new ATOM 0 HA LEU A 116 -6.343 4.112 -4.331 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -6.482 1.820 -5.223 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -5.211 2.172 -6.377 1.00 0.00 H new ATOM 0 HG LEU A 116 -3.625 2.554 -4.509 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -4.257 1.871 -2.226 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -5.218 3.257 -2.793 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -5.934 1.628 -2.769 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -3.421 0.208 -3.818 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -5.061 -0.109 -4.432 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -3.765 0.363 -5.557 1.00 0.00 H new ATOM 1616 N LEU A 117 -4.069 4.639 -6.685 1.00 0.00 N ATOM 1617 CA LEU A 117 -2.800 5.320 -6.945 1.00 0.00 C ATOM 1618 C LEU A 117 -2.922 6.819 -6.891 1.00 0.00 C ATOM 1619 O LEU A 117 -2.005 7.491 -6.463 1.00 0.00 O ATOM 1620 CB LEU A 117 -2.214 4.906 -8.277 1.00 0.00 C ATOM 1621 CG LEU A 117 -1.862 3.440 -8.408 1.00 0.00 C ATOM 1622 CD1 LEU A 117 -1.130 3.203 -9.702 1.00 0.00 C ATOM 1623 CD2 LEU A 117 -1.027 2.972 -7.223 1.00 0.00 C ATOM 0 H LEU A 117 -4.430 4.101 -7.473 1.00 0.00 H new ATOM 0 HA LEU A 117 -2.127 5.012 -6.145 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -2.925 5.162 -9.062 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -1.315 5.495 -8.457 1.00 0.00 H new ATOM 0 HG LEU A 117 -2.785 2.860 -8.414 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -0.880 2.146 -9.790 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -1.765 3.496 -10.538 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -0.215 3.795 -9.716 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -0.787 1.915 -7.341 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -0.104 3.550 -7.177 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -1.591 3.115 -6.301 1.00 0.00 H new ATOM 1635 N ASN A 118 -4.048 7.339 -7.311 1.00 0.00 N ATOM 1636 CA ASN A 118 -4.248 8.778 -7.309 1.00 0.00 C ATOM 1637 C ASN A 118 -4.365 9.307 -5.890 1.00 0.00 C ATOM 1638 O ASN A 118 -4.131 10.481 -5.631 1.00 0.00 O ATOM 1639 CB ASN A 118 -5.456 9.141 -8.153 1.00 0.00 C ATOM 1640 CG ASN A 118 -5.217 8.814 -9.613 1.00 0.00 C ATOM 1641 OD1 ASN A 118 -4.110 8.974 -10.124 1.00 0.00 O ATOM 1642 ND2 ASN A 118 -6.223 8.314 -10.280 1.00 0.00 N ATOM 0 H ASN A 118 -4.839 6.797 -7.658 1.00 0.00 H new ATOM 0 HA ASN A 118 -3.376 9.256 -7.756 1.00 0.00 H new ATOM 0 HB2 ASN A 118 -6.331 8.599 -7.794 1.00 0.00 H new ATOM 0 HB3 ASN A 118 -5.673 10.204 -8.046 1.00 0.00 H new ATOM 0 HD21 ASN A 118 -6.103 8.043 -11.256 1.00 0.00 H new ATOM 0 HD22 ASN A 118 -7.128 8.195 -9.825 1.00 0.00 H new ATOM 1649 N GLY A 119 -4.733 8.430 -4.976 1.00 0.00 N ATOM 1650 CA GLY A 119 -4.750 8.793 -3.587 1.00 0.00 C ATOM 1651 C GLY A 119 -3.399 8.543 -2.945 1.00 0.00 C ATOM 1652 O GLY A 119 -2.982 9.258 -2.036 1.00 0.00 O ATOM 0 H GLY A 119 -5.020 7.472 -5.175 1.00 0.00 H new ATOM 0 HA2 GLY A 119 -5.016 9.845 -3.485 1.00 0.00 H new ATOM 0 HA3 GLY A 119 -5.516 8.219 -3.066 1.00 0.00 H new ATOM 1656 N VAL A 120 -2.719 7.512 -3.427 1.00 0.00 N ATOM 1657 CA VAL A 120 -1.413 7.110 -2.912 1.00 0.00 C ATOM 1658 C VAL A 120 -0.293 8.041 -3.400 1.00 0.00 C ATOM 1659 O VAL A 120 0.702 8.250 -2.696 1.00 0.00 O ATOM 1660 CB VAL A 120 -1.086 5.646 -3.326 1.00 0.00 C ATOM 1661 CG1 VAL A 120 0.361 5.302 -3.031 1.00 0.00 C ATOM 1662 CG2 VAL A 120 -2.015 4.672 -2.608 1.00 0.00 C ATOM 0 H VAL A 120 -3.058 6.926 -4.190 1.00 0.00 H new ATOM 0 HA VAL A 120 -1.465 7.179 -1.825 1.00 0.00 H new ATOM 0 HB VAL A 120 -1.242 5.559 -4.401 1.00 0.00 H new ATOM 0 HG11 VAL A 120 0.559 4.273 -3.331 1.00 0.00 H new ATOM 0 HG12 VAL A 120 1.015 5.974 -3.586 1.00 0.00 H new ATOM 0 HG13 VAL A 120 0.551 5.411 -1.963 1.00 0.00 H new ATOM 0 HG21 VAL A 120 -1.774 3.652 -2.907 1.00 0.00 H new ATOM 0 HG22 VAL A 120 -1.886 4.774 -1.530 1.00 0.00 H new ATOM 0 HG23 VAL A 120 -3.049 4.893 -2.872 1.00 0.00 H new ATOM 1672 N SER A 121 -0.478 8.603 -4.579 1.00 0.00 N ATOM 1673 CA SER A 121 0.508 9.466 -5.218 1.00 0.00 C ATOM 1674 C SER A 121 0.978 10.598 -4.304 1.00 0.00 C ATOM 1675 O SER A 121 2.166 10.891 -4.231 1.00 0.00 O ATOM 1676 CB SER A 121 -0.082 10.035 -6.498 1.00 0.00 C ATOM 1677 OG SER A 121 -1.364 10.572 -6.252 1.00 0.00 O ATOM 0 H SER A 121 -1.326 8.474 -5.130 1.00 0.00 H new ATOM 0 HA SER A 121 1.386 8.860 -5.443 1.00 0.00 H new ATOM 0 HB2 SER A 121 0.574 10.810 -6.895 1.00 0.00 H new ATOM 0 HB3 SER A 121 -0.147 9.253 -7.255 1.00 0.00 H new ATOM 0 HG SER A 121 -1.731 10.936 -7.084 1.00 0.00 H new ATOM 1683 N SER A 122 0.050 11.231 -3.622 1.00 0.00 N ATOM 1684 CA SER A 122 0.389 12.318 -2.734 1.00 0.00 C ATOM 1685 C SER A 122 0.810 11.804 -1.353 1.00 0.00 C ATOM 1686 O SER A 122 1.577 12.455 -0.642 1.00 0.00 O ATOM 1687 CB SER A 122 -0.791 13.277 -2.618 1.00 0.00 C ATOM 1688 OG SER A 122 -1.952 12.607 -2.144 1.00 0.00 O ATOM 0 H SER A 122 -0.945 11.011 -3.666 1.00 0.00 H new ATOM 0 HA SER A 122 1.241 12.851 -3.155 1.00 0.00 H new ATOM 0 HB2 SER A 122 -0.536 14.092 -1.940 1.00 0.00 H new ATOM 0 HB3 SER A 122 -0.997 13.724 -3.591 1.00 0.00 H new ATOM 0 HG SER A 122 -2.693 13.245 -2.077 1.00 0.00 H new ATOM 1694 N ALA A 123 0.316 10.630 -0.984 1.00 0.00 N ATOM 1695 CA ALA A 123 0.599 10.063 0.329 1.00 0.00 C ATOM 1696 C ALA A 123 1.927 9.289 0.368 1.00 0.00 C ATOM 1697 O ALA A 123 2.934 9.803 0.842 1.00 0.00 O ATOM 1698 CB ALA A 123 -0.553 9.188 0.789 1.00 0.00 C ATOM 0 H ALA A 123 -0.282 10.052 -1.574 1.00 0.00 H new ATOM 0 HA ALA A 123 0.707 10.898 1.021 1.00 0.00 H new ATOM 0 HB1 ALA A 123 -0.325 8.773 1.771 1.00 0.00 H new ATOM 0 HB2 ALA A 123 -1.462 9.786 0.850 1.00 0.00 H new ATOM 0 HB3 ALA A 123 -0.700 8.376 0.077 1.00 0.00 H new ATOM 1704 N ALA A 124 1.924 8.058 -0.148 1.00 0.00 N ATOM 1705 CA ALA A 124 3.116 7.199 -0.102 1.00 0.00 C ATOM 1706 C ALA A 124 4.185 7.698 -1.047 1.00 0.00 C ATOM 1707 O ALA A 124 5.340 7.852 -0.667 1.00 0.00 O ATOM 1708 CB ALA A 124 2.761 5.753 -0.430 1.00 0.00 C ATOM 0 H ALA A 124 1.115 7.632 -0.601 1.00 0.00 H new ATOM 0 HA ALA A 124 3.508 7.239 0.914 1.00 0.00 H new ATOM 0 HB1 ALA A 124 3.661 5.139 -0.389 1.00 0.00 H new ATOM 0 HB2 ALA A 124 2.036 5.383 0.295 1.00 0.00 H new ATOM 0 HB3 ALA A 124 2.332 5.702 -1.431 1.00 0.00 H new ATOM 1714 N GLN A 125 3.784 7.961 -2.268 1.00 0.00 N ATOM 1715 CA GLN A 125 4.693 8.446 -3.280 1.00 0.00 C ATOM 1716 C GLN A 125 5.081 9.901 -2.989 1.00 0.00 C ATOM 1717 O GLN A 125 6.121 10.389 -3.441 1.00 0.00 O ATOM 1718 CB GLN A 125 4.027 8.320 -4.654 1.00 0.00 C ATOM 1719 CG GLN A 125 4.887 8.781 -5.818 1.00 0.00 C ATOM 1720 CD GLN A 125 4.190 8.615 -7.154 1.00 0.00 C ATOM 1721 OE1 GLN A 125 3.470 9.501 -7.606 1.00 0.00 O ATOM 1722 NE2 GLN A 125 4.409 7.486 -7.798 1.00 0.00 N ATOM 0 H GLN A 125 2.822 7.846 -2.588 1.00 0.00 H new ATOM 0 HA GLN A 125 5.605 7.849 -3.273 1.00 0.00 H new ATOM 0 HB2 GLN A 125 3.750 7.278 -4.815 1.00 0.00 H new ATOM 0 HB3 GLN A 125 3.103 8.899 -4.650 1.00 0.00 H new ATOM 0 HG2 GLN A 125 5.152 9.829 -5.677 1.00 0.00 H new ATOM 0 HG3 GLN A 125 5.818 8.215 -5.825 1.00 0.00 H new ATOM 0 HE21 GLN A 125 5.014 6.774 -7.388 1.00 0.00 H new ATOM 0 HE22 GLN A 125 3.973 7.324 -8.706 1.00 0.00 H new ATOM 1731 N GLY A 126 4.245 10.573 -2.208 1.00 0.00 N ATOM 1732 CA GLY A 126 4.483 11.957 -1.876 1.00 0.00 C ATOM 1733 C GLY A 126 5.409 12.136 -0.687 1.00 0.00 C ATOM 1734 O GLY A 126 6.436 12.803 -0.795 1.00 0.00 O ATOM 0 H GLY A 126 3.400 10.176 -1.797 1.00 0.00 H new ATOM 0 HA2 GLY A 126 4.911 12.463 -2.741 1.00 0.00 H new ATOM 0 HA3 GLY A 126 3.530 12.442 -1.663 1.00 0.00 H new ATOM 1738 N LEU A 127 5.056 11.539 0.449 1.00 0.00 N ATOM 1739 CA LEU A 127 5.862 11.690 1.662 1.00 0.00 C ATOM 1740 C LEU A 127 6.236 10.338 2.266 1.00 0.00 C ATOM 1741 O LEU A 127 7.243 10.219 2.960 1.00 0.00 O ATOM 1742 CB LEU A 127 5.104 12.527 2.704 1.00 0.00 C ATOM 1743 CG LEU A 127 4.788 13.977 2.310 1.00 0.00 C ATOM 1744 CD1 LEU A 127 3.959 14.654 3.393 1.00 0.00 C ATOM 1745 CD2 LEU A 127 6.073 14.761 2.059 1.00 0.00 C ATOM 0 H LEU A 127 4.228 10.953 0.557 1.00 0.00 H new ATOM 0 HA LEU A 127 6.782 12.201 1.380 1.00 0.00 H new ATOM 0 HB2 LEU A 127 4.165 12.022 2.932 1.00 0.00 H new ATOM 0 HB3 LEU A 127 5.690 12.542 3.623 1.00 0.00 H new ATOM 0 HG LEU A 127 4.209 13.961 1.386 1.00 0.00 H new ATOM 0 HD11 LEU A 127 3.744 15.681 3.098 1.00 0.00 H new ATOM 0 HD12 LEU A 127 3.023 14.111 3.527 1.00 0.00 H new ATOM 0 HD13 LEU A 127 4.516 14.655 4.330 1.00 0.00 H new ATOM 0 HD21 LEU A 127 5.826 15.786 1.781 1.00 0.00 H new ATOM 0 HD22 LEU A 127 6.679 14.767 2.965 1.00 0.00 H new ATOM 0 HD23 LEU A 127 6.634 14.291 1.251 1.00 0.00 H new ATOM 1757 N GLY A 128 5.436 9.327 1.990 1.00 0.00 N ATOM 1758 CA GLY A 128 5.702 8.010 2.528 1.00 0.00 C ATOM 1759 C GLY A 128 4.802 7.684 3.700 1.00 0.00 C ATOM 1760 O GLY A 128 4.956 8.245 4.786 1.00 0.00 O ATOM 0 H GLY A 128 4.605 9.392 1.402 1.00 0.00 H new ATOM 0 HA2 GLY A 128 5.563 7.264 1.746 1.00 0.00 H new ATOM 0 HA3 GLY A 128 6.744 7.951 2.843 1.00 0.00 H new ATOM 1764 N ILE A 129 3.852 6.788 3.481 1.00 0.00 N ATOM 1765 CA ILE A 129 2.917 6.389 4.531 1.00 0.00 C ATOM 1766 C ILE A 129 3.590 5.439 5.520 1.00 0.00 C ATOM 1767 O ILE A 129 4.150 4.417 5.127 1.00 0.00 O ATOM 1768 CB ILE A 129 1.677 5.664 3.959 1.00 0.00 C ATOM 1769 CG1 ILE A 129 1.015 6.468 2.845 1.00 0.00 C ATOM 1770 CG2 ILE A 129 0.676 5.411 5.067 1.00 0.00 C ATOM 1771 CD1 ILE A 129 0.068 5.646 1.996 1.00 0.00 C ATOM 0 H ILE A 129 3.705 6.321 2.586 1.00 0.00 H new ATOM 0 HA ILE A 129 2.604 7.308 5.027 1.00 0.00 H new ATOM 0 HB ILE A 129 2.012 4.717 3.535 1.00 0.00 H new ATOM 0 HG12 ILE A 129 0.468 7.302 3.284 1.00 0.00 H new ATOM 0 HG13 ILE A 129 1.788 6.895 2.206 1.00 0.00 H new ATOM 0 HG21 ILE A 129 -0.196 4.900 4.660 1.00 0.00 H new ATOM 0 HG22 ILE A 129 1.134 4.790 5.836 1.00 0.00 H new ATOM 0 HG23 ILE A 129 0.369 6.361 5.504 1.00 0.00 H new ATOM 0 HD11 ILE A 129 -0.369 6.278 1.223 1.00 0.00 H new ATOM 0 HD12 ILE A 129 0.615 4.827 1.529 1.00 0.00 H new ATOM 0 HD13 ILE A 129 -0.725 5.241 2.624 1.00 0.00 H new ATOM 1783 N ASN A 130 3.517 5.776 6.792 1.00 0.00 N ATOM 1784 CA ASN A 130 4.078 4.937 7.840 1.00 0.00 C ATOM 1785 C ASN A 130 2.999 4.517 8.821 1.00 0.00 C ATOM 1786 O ASN A 130 2.165 5.328 9.234 1.00 0.00 O ATOM 1787 CB ASN A 130 5.211 5.654 8.588 1.00 0.00 C ATOM 1788 CG ASN A 130 6.485 5.769 7.769 1.00 0.00 C ATOM 1789 OD1 ASN A 130 6.770 4.930 6.920 1.00 0.00 O ATOM 1790 ND2 ASN A 130 7.262 6.803 8.029 1.00 0.00 N ATOM 0 H ASN A 130 3.072 6.630 7.130 1.00 0.00 H new ATOM 0 HA ASN A 130 4.493 4.050 7.362 1.00 0.00 H new ATOM 0 HB2 ASN A 130 4.877 6.652 8.871 1.00 0.00 H new ATOM 0 HB3 ASN A 130 5.427 5.116 9.511 1.00 0.00 H new ATOM 0 HD21 ASN A 130 8.135 6.927 7.516 1.00 0.00 H new ATOM 0 HD22 ASN A 130 6.990 7.479 8.743 1.00 0.00 H new ATOM 1797 N VAL A 131 3.011 3.248 9.181 1.00 0.00 N ATOM 1798 CA VAL A 131 2.050 2.700 10.124 1.00 0.00 C ATOM 1799 C VAL A 131 2.599 2.849 11.553 1.00 0.00 C ATOM 1800 O VAL A 131 3.749 3.253 11.735 1.00 0.00 O ATOM 1801 CB VAL A 131 1.757 1.201 9.801 1.00 0.00 C ATOM 1802 CG1 VAL A 131 0.560 0.667 10.583 1.00 0.00 C ATOM 1803 CG2 VAL A 131 1.533 1.017 8.316 1.00 0.00 C ATOM 0 H VAL A 131 3.685 2.568 8.830 1.00 0.00 H new ATOM 0 HA VAL A 131 1.112 3.249 10.041 1.00 0.00 H new ATOM 0 HB VAL A 131 2.631 0.627 10.109 1.00 0.00 H new ATOM 0 HG11 VAL A 131 0.395 -0.379 10.325 1.00 0.00 H new ATOM 0 HG12 VAL A 131 0.757 0.751 11.652 1.00 0.00 H new ATOM 0 HG13 VAL A 131 -0.328 1.247 10.331 1.00 0.00 H new ATOM 0 HG21 VAL A 131 1.330 -0.033 8.106 1.00 0.00 H new ATOM 0 HG22 VAL A 131 0.683 1.621 7.999 1.00 0.00 H new ATOM 0 HG23 VAL A 131 2.424 1.330 7.772 1.00 0.00 H new ATOM 1813 N ASP A 132 1.780 2.531 12.547 1.00 0.00 N ATOM 1814 CA ASP A 132 2.160 2.657 13.948 1.00 0.00 C ATOM 1815 C ASP A 132 3.378 1.784 14.296 1.00 0.00 C ATOM 1816 O ASP A 132 3.728 0.838 13.571 1.00 0.00 O ATOM 1817 CB ASP A 132 0.980 2.294 14.854 1.00 0.00 C ATOM 1818 CG ASP A 132 0.755 0.801 14.961 1.00 0.00 C ATOM 1819 OD1 ASP A 132 0.330 0.184 13.975 1.00 0.00 O ATOM 1820 OD2 ASP A 132 1.008 0.241 16.044 1.00 0.00 O ATOM 0 H ASP A 132 0.833 2.178 12.405 1.00 0.00 H new ATOM 0 HA ASP A 132 2.440 3.697 14.116 1.00 0.00 H new ATOM 0 HB2 ASP A 132 1.154 2.702 15.850 1.00 0.00 H new ATOM 0 HB3 ASP A 132 0.075 2.766 14.470 1.00 0.00 H new ATOM 1825 N SER A 133 4.000 2.100 15.418 1.00 0.00 N ATOM 1826 CA SER A 133 5.200 1.416 15.872 1.00 0.00 C ATOM 1827 C SER A 133 4.885 0.079 16.554 1.00 0.00 C ATOM 1828 O SER A 133 5.776 -0.570 17.097 1.00 0.00 O ATOM 1829 CB SER A 133 5.974 2.326 16.831 1.00 0.00 C ATOM 1830 OG SER A 133 7.206 1.741 17.217 1.00 0.00 O ATOM 0 H SER A 133 3.686 2.842 16.044 1.00 0.00 H new ATOM 0 HA SER A 133 5.808 1.193 14.995 1.00 0.00 H new ATOM 0 HB2 SER A 133 6.160 3.287 16.352 1.00 0.00 H new ATOM 0 HB3 SER A 133 5.369 2.522 17.716 1.00 0.00 H new ATOM 0 HG SER A 133 7.085 0.777 17.343 1.00 0.00 H new ATOM 1836 N GLY A 134 3.635 -0.327 16.519 1.00 0.00 N ATOM 1837 CA GLY A 134 3.243 -1.551 17.170 1.00 0.00 C ATOM 1838 C GLY A 134 3.666 -2.790 16.417 1.00 0.00 C ATOM 1839 O GLY A 134 4.669 -3.423 16.757 1.00 0.00 O ATOM 0 H GLY A 134 2.879 0.171 16.049 1.00 0.00 H new ATOM 0 HA2 GLY A 134 3.675 -1.577 18.170 1.00 0.00 H new ATOM 0 HA3 GLY A 134 2.160 -1.560 17.290 1.00 0.00 H new ATOM 1843 N SER A 135 2.925 -3.128 15.387 1.00 0.00 N ATOM 1844 CA SER A 135 3.169 -4.354 14.650 1.00 0.00 C ATOM 1845 C SER A 135 4.078 -4.150 13.431 1.00 0.00 C ATOM 1846 O SER A 135 4.958 -4.966 13.169 1.00 0.00 O ATOM 1847 CB SER A 135 1.835 -4.957 14.205 1.00 0.00 C ATOM 1848 OG SER A 135 0.941 -5.092 15.308 1.00 0.00 O ATOM 0 H SER A 135 2.145 -2.572 15.037 1.00 0.00 H new ATOM 0 HA SER A 135 3.691 -5.034 15.323 1.00 0.00 H new ATOM 0 HB2 SER A 135 1.383 -4.324 13.441 1.00 0.00 H new ATOM 0 HB3 SER A 135 2.007 -5.933 13.750 1.00 0.00 H new ATOM 0 HG SER A 135 0.095 -5.478 14.998 1.00 0.00 H new ATOM 1854 N VAL A 136 3.890 -3.051 12.717 1.00 0.00 N ATOM 1855 CA VAL A 136 4.585 -2.850 11.450 1.00 0.00 C ATOM 1856 C VAL A 136 6.057 -2.481 11.618 1.00 0.00 C ATOM 1857 O VAL A 136 6.937 -3.239 11.203 1.00 0.00 O ATOM 1858 CB VAL A 136 3.868 -1.798 10.577 1.00 0.00 C ATOM 1859 CG1 VAL A 136 4.648 -1.529 9.297 1.00 0.00 C ATOM 1860 CG2 VAL A 136 2.463 -2.276 10.247 1.00 0.00 C ATOM 0 H VAL A 136 3.268 -2.289 12.988 1.00 0.00 H new ATOM 0 HA VAL A 136 4.556 -3.814 10.943 1.00 0.00 H new ATOM 0 HB VAL A 136 3.808 -0.865 11.137 1.00 0.00 H new ATOM 0 HG11 VAL A 136 4.122 -0.784 8.700 1.00 0.00 H new ATOM 0 HG12 VAL A 136 5.641 -1.157 9.548 1.00 0.00 H new ATOM 0 HG13 VAL A 136 4.740 -2.453 8.726 1.00 0.00 H new ATOM 0 HG21 VAL A 136 1.960 -1.531 9.631 1.00 0.00 H new ATOM 0 HG22 VAL A 136 2.518 -3.219 9.703 1.00 0.00 H new ATOM 0 HG23 VAL A 136 1.902 -2.422 11.170 1.00 0.00 H new ATOM 1870 N GLN A 137 6.324 -1.340 12.240 1.00 0.00 N ATOM 1871 CA GLN A 137 7.695 -0.849 12.372 1.00 0.00 C ATOM 1872 C GLN A 137 8.590 -1.840 13.118 1.00 0.00 C ATOM 1873 O GLN A 137 9.744 -2.046 12.744 1.00 0.00 O ATOM 1874 CB GLN A 137 7.712 0.502 13.062 1.00 0.00 C ATOM 1875 CG GLN A 137 9.058 1.207 12.995 1.00 0.00 C ATOM 1876 CD GLN A 137 9.011 2.597 13.585 1.00 0.00 C ATOM 1877 OE1 GLN A 137 9.748 3.485 13.170 1.00 0.00 O ATOM 1878 NE2 GLN A 137 8.147 2.793 14.553 1.00 0.00 N ATOM 0 H GLN A 137 5.616 -0.738 12.660 1.00 0.00 H new ATOM 0 HA GLN A 137 8.098 -0.739 11.365 1.00 0.00 H new ATOM 0 HB2 GLN A 137 6.954 1.141 12.608 1.00 0.00 H new ATOM 0 HB3 GLN A 137 7.433 0.370 14.107 1.00 0.00 H new ATOM 0 HG2 GLN A 137 9.802 0.614 13.527 1.00 0.00 H new ATOM 0 HG3 GLN A 137 9.382 1.267 11.956 1.00 0.00 H new ATOM 0 HE21 GLN A 137 7.552 2.027 14.869 1.00 0.00 H new ATOM 0 HE22 GLN A 137 8.070 3.712 14.990 1.00 0.00 H new ATOM 1887 N SER A 138 8.047 -2.459 14.154 1.00 0.00 N ATOM 1888 CA SER A 138 8.795 -3.416 14.956 1.00 0.00 C ATOM 1889 C SER A 138 9.294 -4.589 14.107 1.00 0.00 C ATOM 1890 O SER A 138 10.453 -4.997 14.214 1.00 0.00 O ATOM 1891 CB SER A 138 7.919 -3.937 16.093 1.00 0.00 C ATOM 1892 OG SER A 138 7.353 -2.863 16.821 1.00 0.00 O ATOM 0 H SER A 138 7.085 -2.315 14.461 1.00 0.00 H new ATOM 0 HA SER A 138 9.664 -2.903 15.368 1.00 0.00 H new ATOM 0 HB2 SER A 138 7.126 -4.567 15.689 1.00 0.00 H new ATOM 0 HB3 SER A 138 8.513 -4.562 16.760 1.00 0.00 H new ATOM 0 HG SER A 138 6.392 -3.018 16.939 1.00 0.00 H new ATOM 1898 N ASP A 139 8.428 -5.104 13.249 1.00 0.00 N ATOM 1899 CA ASP A 139 8.768 -6.259 12.431 1.00 0.00 C ATOM 1900 C ASP A 139 9.709 -5.875 11.307 1.00 0.00 C ATOM 1901 O ASP A 139 10.756 -6.503 11.122 1.00 0.00 O ATOM 1902 CB ASP A 139 7.510 -6.900 11.852 1.00 0.00 C ATOM 1903 CG ASP A 139 7.727 -8.349 11.468 1.00 0.00 C ATOM 1904 OD1 ASP A 139 8.435 -8.616 10.478 1.00 0.00 O ATOM 1905 OD2 ASP A 139 7.183 -9.234 12.160 1.00 0.00 O ATOM 0 H ASP A 139 7.486 -4.742 13.100 1.00 0.00 H new ATOM 0 HA ASP A 139 9.271 -6.981 13.075 1.00 0.00 H new ATOM 0 HB2 ASP A 139 6.704 -6.837 12.583 1.00 0.00 H new ATOM 0 HB3 ASP A 139 7.190 -6.338 10.975 1.00 0.00 H new ATOM 1910 N ILE A 140 9.353 -4.827 10.570 1.00 0.00 N ATOM 1911 CA ILE A 140 10.152 -4.401 9.430 1.00 0.00 C ATOM 1912 C ILE A 140 11.570 -4.009 9.845 1.00 0.00 C ATOM 1913 O ILE A 140 12.525 -4.317 9.147 1.00 0.00 O ATOM 1914 CB ILE A 140 9.489 -3.243 8.628 1.00 0.00 C ATOM 1915 CG1 ILE A 140 9.333 -1.987 9.487 1.00 0.00 C ATOM 1916 CG2 ILE A 140 8.138 -3.685 8.076 1.00 0.00 C ATOM 1917 CD1 ILE A 140 8.783 -0.790 8.733 1.00 0.00 C ATOM 0 H ILE A 140 8.522 -4.261 10.742 1.00 0.00 H new ATOM 0 HA ILE A 140 10.210 -5.267 8.770 1.00 0.00 H new ATOM 0 HB ILE A 140 10.145 -2.995 7.794 1.00 0.00 H new ATOM 0 HG12 ILE A 140 8.672 -2.211 10.324 1.00 0.00 H new ATOM 0 HG13 ILE A 140 10.303 -1.724 9.908 1.00 0.00 H new ATOM 0 HG21 ILE A 140 7.687 -2.865 7.518 1.00 0.00 H new ATOM 0 HG22 ILE A 140 8.277 -4.540 7.415 1.00 0.00 H new ATOM 0 HG23 ILE A 140 7.483 -3.967 8.900 1.00 0.00 H new ATOM 0 HD11 ILE A 140 8.702 0.060 9.410 1.00 0.00 H new ATOM 0 HD12 ILE A 140 9.454 -0.537 7.912 1.00 0.00 H new ATOM 0 HD13 ILE A 140 7.798 -1.032 8.335 1.00 0.00 H new ATOM 1929 N SER A 141 11.701 -3.358 10.994 1.00 0.00 N ATOM 1930 CA SER A 141 13.005 -2.937 11.486 1.00 0.00 C ATOM 1931 C SER A 141 13.879 -4.153 11.823 1.00 0.00 C ATOM 1932 O SER A 141 15.078 -4.174 11.532 1.00 0.00 O ATOM 1933 CB SER A 141 12.834 -2.038 12.718 1.00 0.00 C ATOM 1934 OG SER A 141 14.071 -1.497 13.150 1.00 0.00 O ATOM 0 H SER A 141 10.920 -3.111 11.602 1.00 0.00 H new ATOM 0 HA SER A 141 13.506 -2.369 10.702 1.00 0.00 H new ATOM 0 HB2 SER A 141 12.145 -1.227 12.483 1.00 0.00 H new ATOM 0 HB3 SER A 141 12.386 -2.613 13.528 1.00 0.00 H new ATOM 0 HG SER A 141 13.923 -0.929 13.935 1.00 0.00 H new ATOM 1940 N SER A 142 13.266 -5.168 12.413 1.00 0.00 N ATOM 1941 CA SER A 142 13.981 -6.373 12.797 1.00 0.00 C ATOM 1942 C SER A 142 14.385 -7.188 11.564 1.00 0.00 C ATOM 1943 O SER A 142 15.516 -7.684 11.471 1.00 0.00 O ATOM 1944 CB SER A 142 13.109 -7.219 13.729 1.00 0.00 C ATOM 1945 OG SER A 142 12.628 -6.442 14.819 1.00 0.00 O ATOM 0 H SER A 142 12.271 -5.180 12.637 1.00 0.00 H new ATOM 0 HA SER A 142 14.891 -6.082 13.322 1.00 0.00 H new ATOM 0 HB2 SER A 142 12.268 -7.631 13.172 1.00 0.00 H new ATOM 0 HB3 SER A 142 13.686 -8.064 14.106 1.00 0.00 H new ATOM 0 HG SER A 142 11.837 -5.937 14.537 1.00 0.00 H new ATOM 1951 N SER A 143 13.469 -7.297 10.613 1.00 0.00 N ATOM 1952 CA SER A 143 13.696 -8.078 9.411 1.00 0.00 C ATOM 1953 C SER A 143 14.690 -7.386 8.465 1.00 0.00 C ATOM 1954 O SER A 143 15.583 -8.034 7.913 1.00 0.00 O ATOM 1955 CB SER A 143 12.362 -8.337 8.698 1.00 0.00 C ATOM 1956 OG SER A 143 12.506 -9.276 7.646 1.00 0.00 O ATOM 0 H SER A 143 12.554 -6.849 10.654 1.00 0.00 H new ATOM 0 HA SER A 143 14.137 -9.031 9.704 1.00 0.00 H new ATOM 0 HB2 SER A 143 11.630 -8.705 9.417 1.00 0.00 H new ATOM 0 HB3 SER A 143 11.974 -7.400 8.299 1.00 0.00 H new ATOM 0 HG SER A 143 11.638 -9.419 7.214 1.00 0.00 H new ATOM 1962 N SER A 144 14.548 -6.073 8.302 1.00 0.00 N ATOM 1963 CA SER A 144 15.403 -5.311 7.393 1.00 0.00 C ATOM 1964 C SER A 144 16.875 -5.409 7.796 1.00 0.00 C ATOM 1965 O SER A 144 17.758 -5.580 6.950 1.00 0.00 O ATOM 1966 CB SER A 144 14.961 -3.840 7.346 1.00 0.00 C ATOM 1967 OG SER A 144 15.681 -3.114 6.366 1.00 0.00 O ATOM 0 H SER A 144 13.848 -5.513 8.788 1.00 0.00 H new ATOM 0 HA SER A 144 15.298 -5.744 6.398 1.00 0.00 H new ATOM 0 HB2 SER A 144 13.894 -3.786 7.130 1.00 0.00 H new ATOM 0 HB3 SER A 144 15.112 -3.382 8.324 1.00 0.00 H new ATOM 0 HG SER A 144 15.376 -2.183 6.359 1.00 0.00 H new