USER MOD reduce.3.24.130724 H: found=0, std=0, add=886, rem=0, adj=32 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 130 ASN :FLIP amide:sc= 0.462 F(o=0.67,f=1.3) USER MOD Set 1.2: A 137 GLN :FLIP amide:sc= 0.8 F(o=0.67!,f=1.3) USER MOD Set 2.1: A 101 ASN : amide:sc= -0.324 K(o=0.14,f=-5.7!) USER MOD Set 2.2: A 103 SER OG : rot 180:sc= 0.469 USER MOD Set 3.1: A 29 SER OG : rot -156:sc= 2.23 USER MOD Set 3.2: A 143 SER OG : rot 142:sc= 1.22 USER MOD Set 4.1: A 23 ASN : amide:sc= -0.613 K(o=0.35,f=-4.3!) USER MOD Set 4.2: A 30 THR OG1 : rot 111:sc= 0.967 USER MOD Set 5.1: A 14 SER OG : rot -51:sc= 0.598 USER MOD Set 5.2: A 104 ASN : amide:sc= -0.435 K(o=0.16,f=-1.7!) USER MOD Single : A 19 SER OG : rot -92:sc= 0.0465 USER MOD Single : A 27 ASN : amide:sc= -0.233 K(o=-0.23,f=-1.4) USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.049 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 93:sc= 0.496 USER MOD Single : A 40 SER OG : rot -175:sc= 0.841 USER MOD Single : A 41 GLN : amide:sc= 1.35 K(o=1.4,f=-13!) USER MOD Single : A 42 GLN : amide:sc=-0.00402 K(o=-0.004,f=-1) USER MOD Single : A 45 SER OG : rot -1:sc= 1.24 USER MOD Single : A 46 SER OG : rot 180:sc= 0.307 USER MOD Single : A 49 GLN : amide:sc= -0.0151 X(o=-0.015,f=-0.36) USER MOD Single : A 53 GLN : amide:sc= -1.22 K(o=-1.2,f=-3.8!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc=-0.00371 K(o=-0.0037,f=-0.78) USER MOD Single : A 65 ASN : amide:sc= -3.57! C(o=-3.6!,f=-12!) USER MOD Single : A 72 GLN : amide:sc= 0.828 K(o=0.83,f=-6.2!) USER MOD Single : A 75 SER OG : rot 94:sc= 0.011 USER MOD Single : A 86 TYR OH : rot 30:sc= -0.882 USER MOD Single : A 88 GLN : amide:sc= -1.29 K(o=-1.3,f=-9.7!) USER MOD Single : A 91 SER OG : rot 86:sc= 0.218 USER MOD Single : A 92 SER OG : rot 155:sc= 1.22 USER MOD Single : A 96 ASN : amide:sc= -0.447 K(o=-0.45,f=-6.5!) USER MOD Single : A 107 THR OG1 : rot 89:sc= 1.26 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 118 ASN : amide:sc= 1.11 K(o=1.1,f=-0.076) USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 122 SER OG : rot 180:sc= 0.0288 USER MOD Single : A 125 GLN : amide:sc= -0.455 K(o=-0.45,f=-1.6!) USER MOD Single : A 133 SER OG : rot 180:sc= 0 USER MOD Single : A 135 SER OG : rot 180:sc= 0 USER MOD Single : A 138 SER OG : rot -101:sc= 0.457 USER MOD Single : A 141 SER OG : rot 71:sc= 1.2 USER MOD Single : A 142 SER OG : rot 81:sc=0.000972 USER MOD Single : A 144 SER OG : rot -94:sc= 1.23 USER MOD ----------------------------------------------------------------- ATOM 123 N GLY A 12 -2.999 -6.456 -13.477 1.00 0.00 N ATOM 124 CA GLY A 12 -2.353 -6.025 -14.693 1.00 0.00 C ATOM 125 C GLY A 12 -0.885 -6.386 -14.724 1.00 0.00 C ATOM 126 O GLY A 12 -0.438 -7.291 -14.005 1.00 0.00 O ATOM 0 HA2 GLY A 12 -2.854 -6.479 -15.548 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -2.461 -4.945 -14.796 1.00 0.00 H new ATOM 130 N ALA A 13 -0.133 -5.672 -15.545 1.00 0.00 N ATOM 131 CA ALA A 13 1.303 -5.887 -15.684 1.00 0.00 C ATOM 132 C ALA A 13 2.029 -5.645 -14.364 1.00 0.00 C ATOM 133 O ALA A 13 3.070 -6.247 -14.091 1.00 0.00 O ATOM 134 CB ALA A 13 1.863 -4.970 -16.766 1.00 0.00 C ATOM 0 H ALA A 13 -0.499 -4.925 -16.136 1.00 0.00 H new ATOM 0 HA ALA A 13 1.465 -6.926 -15.971 1.00 0.00 H new ATOM 0 HB1 ALA A 13 2.936 -5.136 -16.864 1.00 0.00 H new ATOM 0 HB2 ALA A 13 1.374 -5.187 -17.716 1.00 0.00 H new ATOM 0 HB3 ALA A 13 1.680 -3.931 -16.493 1.00 0.00 H new ATOM 140 N SER A 14 1.459 -4.783 -13.533 1.00 0.00 N ATOM 141 CA SER A 14 2.059 -4.436 -12.265 1.00 0.00 C ATOM 142 C SER A 14 2.144 -5.655 -11.348 1.00 0.00 C ATOM 143 O SER A 14 3.106 -5.814 -10.609 1.00 0.00 O ATOM 144 CB SER A 14 1.256 -3.325 -11.590 1.00 0.00 C ATOM 145 OG SER A 14 1.084 -2.217 -12.460 1.00 0.00 O ATOM 0 H SER A 14 0.575 -4.311 -13.722 1.00 0.00 H new ATOM 0 HA SER A 14 3.072 -4.080 -12.453 1.00 0.00 H new ATOM 0 HB2 SER A 14 0.281 -3.709 -11.288 1.00 0.00 H new ATOM 0 HB3 SER A 14 1.767 -3.003 -10.683 1.00 0.00 H new ATOM 0 HG SER A 14 1.954 -1.948 -12.823 1.00 0.00 H new ATOM 151 N ALA A 15 1.152 -6.534 -11.444 1.00 0.00 N ATOM 152 CA ALA A 15 1.076 -7.715 -10.585 1.00 0.00 C ATOM 153 C ALA A 15 2.233 -8.689 -10.832 1.00 0.00 C ATOM 154 O ALA A 15 2.520 -9.540 -9.996 1.00 0.00 O ATOM 155 CB ALA A 15 -0.259 -8.417 -10.770 1.00 0.00 C ATOM 0 H ALA A 15 0.385 -6.452 -12.111 1.00 0.00 H new ATOM 0 HA ALA A 15 1.161 -7.372 -9.554 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -0.301 -9.294 -10.124 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -1.068 -7.735 -10.509 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -0.366 -8.726 -11.810 1.00 0.00 H new ATOM 161 N GLY A 16 2.881 -8.568 -11.974 1.00 0.00 N ATOM 162 CA GLY A 16 3.989 -9.445 -12.280 1.00 0.00 C ATOM 163 C GLY A 16 5.322 -8.905 -11.784 1.00 0.00 C ATOM 164 O GLY A 16 6.159 -9.653 -11.286 1.00 0.00 O ATOM 0 H GLY A 16 2.662 -7.880 -12.695 1.00 0.00 H new ATOM 0 HA2 GLY A 16 3.808 -10.422 -11.831 1.00 0.00 H new ATOM 0 HA3 GLY A 16 4.041 -9.594 -13.358 1.00 0.00 H new ATOM 168 N LEU A 17 5.511 -7.606 -11.914 1.00 0.00 N ATOM 169 CA LEU A 17 6.780 -6.968 -11.564 1.00 0.00 C ATOM 170 C LEU A 17 6.910 -6.618 -10.071 1.00 0.00 C ATOM 171 O LEU A 17 8.020 -6.446 -9.577 1.00 0.00 O ATOM 172 CB LEU A 17 7.025 -5.730 -12.452 1.00 0.00 C ATOM 173 CG LEU A 17 5.854 -4.727 -12.588 1.00 0.00 C ATOM 174 CD1 LEU A 17 5.679 -3.884 -11.328 1.00 0.00 C ATOM 175 CD2 LEU A 17 6.052 -3.835 -13.803 1.00 0.00 C ATOM 0 H LEU A 17 4.800 -6.962 -12.261 1.00 0.00 H new ATOM 0 HA LEU A 17 7.557 -7.707 -11.758 1.00 0.00 H new ATOM 0 HB2 LEU A 17 7.888 -5.194 -12.057 1.00 0.00 H new ATOM 0 HB3 LEU A 17 7.294 -6.076 -13.450 1.00 0.00 H new ATOM 0 HG LEU A 17 4.941 -5.308 -12.723 1.00 0.00 H new ATOM 0 HD11 LEU A 17 4.847 -3.193 -11.465 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.473 -4.536 -10.479 1.00 0.00 H new ATOM 0 HD13 LEU A 17 6.592 -3.319 -11.138 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.219 -3.137 -13.882 1.00 0.00 H new ATOM 0 HD22 LEU A 17 6.983 -3.278 -13.698 1.00 0.00 H new ATOM 0 HD23 LEU A 17 6.096 -4.450 -14.702 1.00 0.00 H new ATOM 187 N ILE A 18 5.778 -6.516 -9.373 1.00 0.00 N ATOM 188 CA ILE A 18 5.739 -6.098 -7.946 1.00 0.00 C ATOM 189 C ILE A 18 6.850 -6.707 -7.064 1.00 0.00 C ATOM 190 O ILE A 18 7.438 -6.010 -6.246 1.00 0.00 O ATOM 191 CB ILE A 18 4.372 -6.402 -7.296 1.00 0.00 C ATOM 192 CG1 ILE A 18 3.899 -7.816 -7.667 1.00 0.00 C ATOM 193 CG2 ILE A 18 3.345 -5.350 -7.684 1.00 0.00 C ATOM 194 CD1 ILE A 18 2.607 -8.230 -6.998 1.00 0.00 C ATOM 0 H ILE A 18 4.859 -6.717 -9.767 1.00 0.00 H new ATOM 0 HA ILE A 18 5.911 -5.022 -7.987 1.00 0.00 H new ATOM 0 HB ILE A 18 4.488 -6.365 -6.213 1.00 0.00 H new ATOM 0 HG12 ILE A 18 3.770 -7.873 -8.748 1.00 0.00 H new ATOM 0 HG13 ILE A 18 4.679 -8.530 -7.401 1.00 0.00 H new ATOM 0 HG21 ILE A 18 2.389 -5.584 -7.215 1.00 0.00 H new ATOM 0 HG22 ILE A 18 3.684 -4.370 -7.348 1.00 0.00 H new ATOM 0 HG23 ILE A 18 3.225 -5.341 -8.767 1.00 0.00 H new ATOM 0 HD11 ILE A 18 2.342 -9.240 -7.312 1.00 0.00 H new ATOM 0 HD12 ILE A 18 2.734 -8.208 -5.916 1.00 0.00 H new ATOM 0 HD13 ILE A 18 1.812 -7.541 -7.284 1.00 0.00 H new ATOM 206 N SER A 19 7.134 -7.970 -7.235 1.00 0.00 N ATOM 207 CA SER A 19 8.107 -8.645 -6.395 1.00 0.00 C ATOM 208 C SER A 19 9.562 -8.347 -6.801 1.00 0.00 C ATOM 209 O SER A 19 10.454 -8.338 -5.962 1.00 0.00 O ATOM 210 CB SER A 19 7.840 -10.141 -6.434 1.00 0.00 C ATOM 211 OG SER A 19 7.616 -10.572 -7.769 1.00 0.00 O ATOM 0 H SER A 19 6.708 -8.561 -7.949 1.00 0.00 H new ATOM 0 HA SER A 19 7.991 -8.264 -5.380 1.00 0.00 H new ATOM 0 HB2 SER A 19 8.688 -10.679 -6.009 1.00 0.00 H new ATOM 0 HB3 SER A 19 6.972 -10.378 -5.819 1.00 0.00 H new ATOM 0 HG SER A 19 6.656 -10.544 -7.965 1.00 0.00 H new ATOM 217 N ARG A 20 9.780 -8.102 -8.079 1.00 0.00 N ATOM 218 CA ARG A 20 11.130 -7.904 -8.624 1.00 0.00 C ATOM 219 C ARG A 20 11.625 -6.464 -8.550 1.00 0.00 C ATOM 220 O ARG A 20 12.828 -6.224 -8.568 1.00 0.00 O ATOM 221 CB ARG A 20 11.173 -8.367 -10.068 1.00 0.00 C ATOM 222 CG ARG A 20 10.827 -9.822 -10.253 1.00 0.00 C ATOM 223 CD ARG A 20 10.873 -10.208 -11.710 1.00 0.00 C ATOM 224 NE ARG A 20 10.626 -11.632 -11.897 1.00 0.00 N ATOM 225 CZ ARG A 20 11.223 -12.383 -12.820 1.00 0.00 C ATOM 226 NH1 ARG A 20 12.144 -11.853 -13.622 1.00 0.00 N ATOM 227 NH2 ARG A 20 10.915 -13.667 -12.928 1.00 0.00 N ATOM 0 H ARG A 20 9.037 -8.033 -8.774 1.00 0.00 H new ATOM 0 HA ARG A 20 11.796 -8.498 -7.998 1.00 0.00 H new ATOM 0 HB2 ARG A 20 10.481 -7.762 -10.654 1.00 0.00 H new ATOM 0 HB3 ARG A 20 12.171 -8.187 -10.467 1.00 0.00 H new ATOM 0 HG2 ARG A 20 11.524 -10.440 -9.687 1.00 0.00 H new ATOM 0 HG3 ARG A 20 9.832 -10.016 -9.853 1.00 0.00 H new ATOM 0 HD2 ARG A 20 10.129 -9.634 -12.263 1.00 0.00 H new ATOM 0 HD3 ARG A 20 11.847 -9.950 -12.125 1.00 0.00 H new ATOM 0 HE ARG A 20 9.951 -12.083 -11.280 1.00 0.00 H new ATOM 0 HH11 ARG A 20 12.394 -10.868 -13.530 1.00 0.00 H new ATOM 0 HH12 ARG A 20 12.599 -12.431 -14.328 1.00 0.00 H new ATOM 0 HH21 ARG A 20 10.221 -14.079 -12.304 1.00 0.00 H new ATOM 0 HH22 ARG A 20 11.372 -14.243 -13.635 1.00 0.00 H new ATOM 241 N VAL A 21 10.715 -5.513 -8.485 1.00 0.00 N ATOM 242 CA VAL A 21 11.109 -4.113 -8.592 1.00 0.00 C ATOM 243 C VAL A 21 11.665 -3.490 -7.287 1.00 0.00 C ATOM 244 O VAL A 21 12.810 -3.716 -6.923 1.00 0.00 O ATOM 245 CB VAL A 21 9.978 -3.227 -9.166 1.00 0.00 C ATOM 246 CG1 VAL A 21 10.500 -1.846 -9.479 1.00 0.00 C ATOM 247 CG2 VAL A 21 9.384 -3.847 -10.413 1.00 0.00 C ATOM 0 H VAL A 21 9.715 -5.673 -8.361 1.00 0.00 H new ATOM 0 HA VAL A 21 11.940 -4.132 -9.297 1.00 0.00 H new ATOM 0 HB VAL A 21 9.195 -3.150 -8.411 1.00 0.00 H new ATOM 0 HG11 VAL A 21 9.693 -1.235 -9.882 1.00 0.00 H new ATOM 0 HG12 VAL A 21 10.883 -1.387 -8.568 1.00 0.00 H new ATOM 0 HG13 VAL A 21 11.302 -1.918 -10.214 1.00 0.00 H new ATOM 0 HG21 VAL A 21 8.591 -3.205 -10.797 1.00 0.00 H new ATOM 0 HG22 VAL A 21 10.160 -3.957 -11.170 1.00 0.00 H new ATOM 0 HG23 VAL A 21 8.972 -4.827 -10.171 1.00 0.00 H new ATOM 257 N ALA A 22 10.832 -2.723 -6.590 1.00 0.00 N ATOM 258 CA ALA A 22 11.286 -1.925 -5.454 1.00 0.00 C ATOM 259 C ALA A 22 11.480 -2.735 -4.186 1.00 0.00 C ATOM 260 O ALA A 22 12.545 -2.692 -3.567 1.00 0.00 O ATOM 261 CB ALA A 22 10.319 -0.774 -5.211 1.00 0.00 C ATOM 0 H ALA A 22 9.836 -2.637 -6.792 1.00 0.00 H new ATOM 0 HA ALA A 22 12.270 -1.535 -5.716 1.00 0.00 H new ATOM 0 HB1 ALA A 22 10.663 -0.183 -4.362 1.00 0.00 H new ATOM 0 HB2 ALA A 22 10.274 -0.143 -6.099 1.00 0.00 H new ATOM 0 HB3 ALA A 22 9.327 -1.171 -4.998 1.00 0.00 H new ATOM 267 N ASN A 23 10.457 -3.465 -3.794 1.00 0.00 N ATOM 268 CA ASN A 23 10.495 -4.224 -2.551 1.00 0.00 C ATOM 269 C ASN A 23 11.551 -5.311 -2.552 1.00 0.00 C ATOM 270 O ASN A 23 11.990 -5.745 -1.491 1.00 0.00 O ATOM 271 CB ASN A 23 9.131 -4.789 -2.197 1.00 0.00 C ATOM 272 CG ASN A 23 8.350 -3.867 -1.275 1.00 0.00 C ATOM 273 OD1 ASN A 23 7.610 -4.326 -0.412 1.00 0.00 O ATOM 274 ND2 ASN A 23 8.509 -2.562 -1.450 1.00 0.00 N ATOM 0 H ASN A 23 9.585 -3.552 -4.316 1.00 0.00 H new ATOM 0 HA ASN A 23 10.780 -3.513 -1.775 1.00 0.00 H new ATOM 0 HB2 ASN A 23 8.560 -4.955 -3.111 1.00 0.00 H new ATOM 0 HB3 ASN A 23 9.255 -5.760 -1.717 1.00 0.00 H new ATOM 0 HD21 ASN A 23 8.007 -1.903 -0.856 1.00 0.00 H new ATOM 0 HD22 ASN A 23 9.134 -2.218 -2.179 1.00 0.00 H new ATOM 281 N ALA A 24 11.950 -5.753 -3.732 1.00 0.00 N ATOM 282 CA ALA A 24 12.984 -6.771 -3.854 1.00 0.00 C ATOM 283 C ALA A 24 14.277 -6.323 -3.168 1.00 0.00 C ATOM 284 O ALA A 24 14.927 -7.104 -2.478 1.00 0.00 O ATOM 285 CB ALA A 24 13.240 -7.078 -5.312 1.00 0.00 C ATOM 0 H ALA A 24 11.574 -5.424 -4.621 1.00 0.00 H new ATOM 0 HA ALA A 24 12.635 -7.676 -3.358 1.00 0.00 H new ATOM 0 HB1 ALA A 24 14.015 -7.840 -5.393 1.00 0.00 H new ATOM 0 HB2 ALA A 24 12.322 -7.443 -5.774 1.00 0.00 H new ATOM 0 HB3 ALA A 24 13.568 -6.172 -5.822 1.00 0.00 H new ATOM 291 N LEU A 25 14.628 -5.050 -3.347 1.00 0.00 N ATOM 292 CA LEU A 25 15.834 -4.495 -2.733 1.00 0.00 C ATOM 293 C LEU A 25 15.577 -4.100 -1.288 1.00 0.00 C ATOM 294 O LEU A 25 16.505 -3.954 -0.498 1.00 0.00 O ATOM 295 CB LEU A 25 16.358 -3.278 -3.517 1.00 0.00 C ATOM 296 CG LEU A 25 16.986 -3.563 -4.890 1.00 0.00 C ATOM 297 CD1 LEU A 25 17.964 -4.724 -4.804 1.00 0.00 C ATOM 298 CD2 LEU A 25 15.919 -3.826 -5.942 1.00 0.00 C ATOM 0 H LEU A 25 14.097 -4.386 -3.910 1.00 0.00 H new ATOM 0 HA LEU A 25 16.594 -5.276 -2.758 1.00 0.00 H new ATOM 0 HB2 LEU A 25 15.531 -2.582 -3.658 1.00 0.00 H new ATOM 0 HB3 LEU A 25 17.100 -2.770 -2.901 1.00 0.00 H new ATOM 0 HG LEU A 25 17.538 -2.675 -5.196 1.00 0.00 H new ATOM 0 HD11 LEU A 25 18.397 -4.909 -5.787 1.00 0.00 H new ATOM 0 HD12 LEU A 25 18.758 -4.480 -4.098 1.00 0.00 H new ATOM 0 HD13 LEU A 25 17.439 -5.617 -4.465 1.00 0.00 H new ATOM 0 HD21 LEU A 25 16.396 -4.024 -6.902 1.00 0.00 H new ATOM 0 HD22 LEU A 25 15.323 -4.690 -5.648 1.00 0.00 H new ATOM 0 HD23 LEU A 25 15.273 -2.953 -6.031 1.00 0.00 H new ATOM 310 N ALA A 26 14.313 -3.920 -0.951 1.00 0.00 N ATOM 311 CA ALA A 26 13.935 -3.554 0.400 1.00 0.00 C ATOM 312 C ALA A 26 13.989 -4.770 1.312 1.00 0.00 C ATOM 313 O ALA A 26 14.417 -4.672 2.462 1.00 0.00 O ATOM 314 CB ALA A 26 12.547 -2.934 0.417 1.00 0.00 C ATOM 0 H ALA A 26 13.530 -4.022 -1.597 1.00 0.00 H new ATOM 0 HA ALA A 26 14.644 -2.813 0.769 1.00 0.00 H new ATOM 0 HB1 ALA A 26 12.281 -2.666 1.439 1.00 0.00 H new ATOM 0 HB2 ALA A 26 12.540 -2.040 -0.206 1.00 0.00 H new ATOM 0 HB3 ALA A 26 11.823 -3.651 0.030 1.00 0.00 H new ATOM 320 N ASN A 27 13.525 -5.917 0.786 1.00 0.00 N ATOM 321 CA ASN A 27 13.532 -7.205 1.509 1.00 0.00 C ATOM 322 C ASN A 27 12.818 -7.092 2.863 1.00 0.00 C ATOM 323 O ASN A 27 13.007 -7.907 3.761 1.00 0.00 O ATOM 324 CB ASN A 27 14.964 -7.703 1.692 1.00 0.00 C ATOM 325 CG ASN A 27 15.057 -9.218 1.789 1.00 0.00 C ATOM 326 OD1 ASN A 27 14.955 -9.798 2.868 1.00 0.00 O ATOM 327 ND2 ASN A 27 15.269 -9.865 0.662 1.00 0.00 N ATOM 0 H ASN A 27 13.134 -5.979 -0.154 1.00 0.00 H new ATOM 0 HA ASN A 27 12.984 -7.931 0.908 1.00 0.00 H new ATOM 0 HB2 ASN A 27 15.572 -7.360 0.855 1.00 0.00 H new ATOM 0 HB3 ASN A 27 15.385 -7.260 2.595 1.00 0.00 H new ATOM 0 HD21 ASN A 27 15.354 -10.881 0.666 1.00 0.00 H new ATOM 0 HD22 ASN A 27 15.348 -9.350 -0.215 1.00 0.00 H new ATOM 334 N THR A 28 12.002 -6.070 2.996 1.00 0.00 N ATOM 335 CA THR A 28 11.295 -5.814 4.219 1.00 0.00 C ATOM 336 C THR A 28 10.137 -6.814 4.405 1.00 0.00 C ATOM 337 O THR A 28 9.755 -7.522 3.477 1.00 0.00 O ATOM 338 CB THR A 28 10.772 -4.363 4.227 1.00 0.00 C ATOM 339 OG1 THR A 28 11.809 -3.499 3.744 1.00 0.00 O ATOM 340 CG2 THR A 28 10.383 -3.921 5.633 1.00 0.00 C ATOM 0 H THR A 28 11.814 -5.395 2.255 1.00 0.00 H new ATOM 0 HA THR A 28 11.983 -5.945 5.054 1.00 0.00 H new ATOM 0 HB THR A 28 9.888 -4.310 3.592 1.00 0.00 H new ATOM 0 HG1 THR A 28 11.489 -2.573 3.742 1.00 0.00 H new ATOM 0 HG21 THR A 28 10.019 -2.894 5.604 1.00 0.00 H new ATOM 0 HG22 THR A 28 9.598 -4.574 6.016 1.00 0.00 H new ATOM 0 HG23 THR A 28 11.254 -3.979 6.286 1.00 0.00 H new ATOM 348 N SER A 29 9.602 -6.868 5.607 1.00 0.00 N ATOM 349 CA SER A 29 8.510 -7.761 5.948 1.00 0.00 C ATOM 350 C SER A 29 7.261 -7.477 5.105 1.00 0.00 C ATOM 351 O SER A 29 6.378 -8.329 4.987 1.00 0.00 O ATOM 352 CB SER A 29 8.190 -7.566 7.411 1.00 0.00 C ATOM 353 OG SER A 29 9.386 -7.412 8.154 1.00 0.00 O ATOM 0 H SER A 29 9.915 -6.287 6.385 1.00 0.00 H new ATOM 0 HA SER A 29 8.813 -8.788 5.745 1.00 0.00 H new ATOM 0 HB2 SER A 29 7.557 -6.688 7.539 1.00 0.00 H new ATOM 0 HB3 SER A 29 7.628 -8.421 7.785 1.00 0.00 H new ATOM 0 HG SER A 29 9.225 -7.659 9.089 1.00 0.00 H new ATOM 359 N THR A 30 7.229 -6.286 4.511 1.00 0.00 N ATOM 360 CA THR A 30 6.105 -5.798 3.720 1.00 0.00 C ATOM 361 C THR A 30 5.681 -6.771 2.614 1.00 0.00 C ATOM 362 O THR A 30 4.500 -6.992 2.402 1.00 0.00 O ATOM 363 CB THR A 30 6.456 -4.436 3.091 1.00 0.00 C ATOM 364 OG1 THR A 30 7.707 -4.544 2.389 1.00 0.00 O ATOM 365 CG2 THR A 30 6.585 -3.367 4.164 1.00 0.00 C ATOM 0 H THR A 30 8.000 -5.621 4.568 1.00 0.00 H new ATOM 0 HA THR A 30 5.263 -5.698 4.405 1.00 0.00 H new ATOM 0 HB THR A 30 5.658 -4.155 2.404 1.00 0.00 H new ATOM 0 HG1 THR A 30 7.548 -4.471 1.425 1.00 0.00 H new ATOM 0 HG21 THR A 30 6.833 -2.413 3.699 1.00 0.00 H new ATOM 0 HG22 THR A 30 5.641 -3.274 4.701 1.00 0.00 H new ATOM 0 HG23 THR A 30 7.374 -3.646 4.863 1.00 0.00 H new ATOM 373 N LEU A 31 6.647 -7.339 1.915 1.00 0.00 N ATOM 374 CA LEU A 31 6.349 -8.255 0.823 1.00 0.00 C ATOM 375 C LEU A 31 6.413 -9.704 1.287 1.00 0.00 C ATOM 376 O LEU A 31 5.854 -10.600 0.648 1.00 0.00 O ATOM 377 CB LEU A 31 7.302 -8.043 -0.371 1.00 0.00 C ATOM 378 CG LEU A 31 8.792 -8.339 -0.125 1.00 0.00 C ATOM 379 CD1 LEU A 31 9.488 -8.690 -1.432 1.00 0.00 C ATOM 380 CD2 LEU A 31 9.487 -7.151 0.530 1.00 0.00 C ATOM 0 H LEU A 31 7.641 -7.185 2.081 1.00 0.00 H new ATOM 0 HA LEU A 31 5.333 -8.038 0.493 1.00 0.00 H new ATOM 0 HB2 LEU A 31 6.961 -8.671 -1.194 1.00 0.00 H new ATOM 0 HB3 LEU A 31 7.210 -7.008 -0.700 1.00 0.00 H new ATOM 0 HG LEU A 31 8.855 -9.191 0.552 1.00 0.00 H new ATOM 0 HD11 LEU A 31 10.541 -8.896 -1.240 1.00 0.00 H new ATOM 0 HD12 LEU A 31 9.019 -9.572 -1.868 1.00 0.00 H new ATOM 0 HD13 LEU A 31 9.403 -7.853 -2.126 1.00 0.00 H new ATOM 0 HD21 LEU A 31 10.538 -7.389 0.692 1.00 0.00 H new ATOM 0 HD22 LEU A 31 9.408 -6.280 -0.120 1.00 0.00 H new ATOM 0 HD23 LEU A 31 9.012 -6.934 1.487 1.00 0.00 H new ATOM 392 N ARG A 32 7.104 -9.928 2.393 1.00 0.00 N ATOM 393 CA ARG A 32 7.310 -11.272 2.910 1.00 0.00 C ATOM 394 C ARG A 32 6.034 -11.861 3.509 1.00 0.00 C ATOM 395 O ARG A 32 5.642 -12.977 3.162 1.00 0.00 O ATOM 396 CB ARG A 32 8.431 -11.274 3.949 1.00 0.00 C ATOM 397 CG ARG A 32 8.784 -12.660 4.477 1.00 0.00 C ATOM 398 CD ARG A 32 9.969 -12.597 5.423 1.00 0.00 C ATOM 399 NE ARG A 32 11.149 -12.018 4.777 1.00 0.00 N ATOM 400 CZ ARG A 32 11.834 -10.977 5.249 1.00 0.00 C ATOM 401 NH1 ARG A 32 11.470 -10.391 6.392 1.00 0.00 N ATOM 402 NH2 ARG A 32 12.881 -10.526 4.580 1.00 0.00 N ATOM 0 H ARG A 32 7.534 -9.192 2.953 1.00 0.00 H new ATOM 0 HA ARG A 32 7.596 -11.903 2.068 1.00 0.00 H new ATOM 0 HB2 ARG A 32 9.322 -10.827 3.508 1.00 0.00 H new ATOM 0 HB3 ARG A 32 8.137 -10.641 4.787 1.00 0.00 H new ATOM 0 HG2 ARG A 32 7.924 -13.086 4.994 1.00 0.00 H new ATOM 0 HG3 ARG A 32 9.015 -13.323 3.643 1.00 0.00 H new ATOM 0 HD2 ARG A 32 9.705 -12.003 6.298 1.00 0.00 H new ATOM 0 HD3 ARG A 32 10.204 -13.600 5.778 1.00 0.00 H new ATOM 0 HE ARG A 32 11.469 -12.441 3.906 1.00 0.00 H new ATOM 0 HH11 ARG A 32 10.663 -10.740 6.910 1.00 0.00 H new ATOM 0 HH12 ARG A 32 11.999 -9.595 6.748 1.00 0.00 H new ATOM 0 HH21 ARG A 32 13.161 -10.974 3.708 1.00 0.00 H new ATOM 0 HH22 ARG A 32 13.409 -9.730 4.936 1.00 0.00 H new ATOM 416 N THR A 33 5.384 -11.119 4.399 1.00 0.00 N ATOM 417 CA THR A 33 4.193 -11.629 5.068 1.00 0.00 C ATOM 418 C THR A 33 3.448 -10.529 5.833 1.00 0.00 C ATOM 419 O THR A 33 2.214 -10.481 5.821 1.00 0.00 O ATOM 420 CB THR A 33 4.543 -12.808 6.028 1.00 0.00 C ATOM 421 OG1 THR A 33 3.371 -13.269 6.710 1.00 0.00 O ATOM 422 CG2 THR A 33 5.601 -12.400 7.050 1.00 0.00 C ATOM 0 H THR A 33 5.657 -10.175 4.671 1.00 0.00 H new ATOM 0 HA THR A 33 3.531 -12.001 4.286 1.00 0.00 H new ATOM 0 HB THR A 33 4.946 -13.616 5.417 1.00 0.00 H new ATOM 0 HG1 THR A 33 3.609 -14.009 7.306 1.00 0.00 H new ATOM 0 HG21 THR A 33 5.821 -13.245 7.703 1.00 0.00 H new ATOM 0 HG22 THR A 33 6.510 -12.096 6.531 1.00 0.00 H new ATOM 0 HG23 THR A 33 5.228 -11.568 7.647 1.00 0.00 H new ATOM 430 N VAL A 34 4.196 -9.652 6.487 1.00 0.00 N ATOM 431 CA VAL A 34 3.606 -8.565 7.257 1.00 0.00 C ATOM 432 C VAL A 34 3.001 -7.529 6.319 1.00 0.00 C ATOM 433 O VAL A 34 3.583 -7.214 5.287 1.00 0.00 O ATOM 434 CB VAL A 34 4.659 -7.887 8.175 1.00 0.00 C ATOM 435 CG1 VAL A 34 4.047 -6.736 8.965 1.00 0.00 C ATOM 436 CG2 VAL A 34 5.283 -8.907 9.117 1.00 0.00 C ATOM 0 H VAL A 34 5.216 -9.672 6.500 1.00 0.00 H new ATOM 0 HA VAL A 34 2.824 -8.988 7.888 1.00 0.00 H new ATOM 0 HB VAL A 34 5.442 -7.476 7.537 1.00 0.00 H new ATOM 0 HG11 VAL A 34 4.810 -6.283 9.598 1.00 0.00 H new ATOM 0 HG12 VAL A 34 3.657 -5.988 8.275 1.00 0.00 H new ATOM 0 HG13 VAL A 34 3.236 -7.113 9.588 1.00 0.00 H new ATOM 0 HG21 VAL A 34 6.018 -8.413 9.752 1.00 0.00 H new ATOM 0 HG22 VAL A 34 4.506 -9.351 9.739 1.00 0.00 H new ATOM 0 HG23 VAL A 34 5.772 -9.688 8.535 1.00 0.00 H new ATOM 446 N LEU A 35 1.824 -7.025 6.676 1.00 0.00 N ATOM 447 CA LEU A 35 1.138 -6.029 5.864 1.00 0.00 C ATOM 448 C LEU A 35 2.025 -4.812 5.638 1.00 0.00 C ATOM 449 O LEU A 35 2.764 -4.391 6.534 1.00 0.00 O ATOM 450 CB LEU A 35 -0.207 -5.607 6.490 1.00 0.00 C ATOM 451 CG LEU A 35 -0.145 -4.784 7.793 1.00 0.00 C ATOM 452 CD1 LEU A 35 -1.495 -4.153 8.075 1.00 0.00 C ATOM 453 CD2 LEU A 35 0.281 -5.650 8.974 1.00 0.00 C ATOM 0 H LEU A 35 1.325 -7.292 7.525 1.00 0.00 H new ATOM 0 HA LEU A 35 0.923 -6.489 4.900 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -0.759 -5.028 5.749 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -0.787 -6.509 6.686 1.00 0.00 H new ATOM 0 HG LEU A 35 0.600 -4.000 7.661 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -1.441 -3.574 8.997 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -1.769 -3.496 7.250 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -2.247 -4.935 8.181 1.00 0.00 H new ATOM 0 HD21 LEU A 35 0.315 -5.041 9.878 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -0.436 -6.460 9.109 1.00 0.00 H new ATOM 0 HD23 LEU A 35 1.269 -6.069 8.781 1.00 0.00 H new ATOM 465 N ARG A 36 1.951 -4.260 4.444 1.00 0.00 N ATOM 466 CA ARG A 36 2.783 -3.132 4.080 1.00 0.00 C ATOM 467 C ARG A 36 2.425 -1.886 4.876 1.00 0.00 C ATOM 468 O ARG A 36 1.315 -1.766 5.415 1.00 0.00 O ATOM 469 CB ARG A 36 2.681 -2.833 2.583 1.00 0.00 C ATOM 470 CG ARG A 36 1.370 -2.184 2.158 1.00 0.00 C ATOM 471 CD ARG A 36 1.419 -1.766 0.700 1.00 0.00 C ATOM 472 NE ARG A 36 0.304 -0.885 0.333 1.00 0.00 N ATOM 473 CZ ARG A 36 0.419 0.437 0.140 1.00 0.00 C ATOM 474 NH1 ARG A 36 1.573 1.051 0.376 1.00 0.00 N ATOM 475 NH2 ARG A 36 -0.629 1.144 -0.268 1.00 0.00 N ATOM 0 H ARG A 36 1.321 -4.576 3.707 1.00 0.00 H new ATOM 0 HA ARG A 36 3.810 -3.408 4.319 1.00 0.00 H new ATOM 0 HB2 ARG A 36 3.505 -2.179 2.299 1.00 0.00 H new ATOM 0 HB3 ARG A 36 2.808 -3.764 2.030 1.00 0.00 H new ATOM 0 HG2 ARG A 36 0.547 -2.882 2.313 1.00 0.00 H new ATOM 0 HG3 ARG A 36 1.171 -1.314 2.783 1.00 0.00 H new ATOM 0 HD2 ARG A 36 2.362 -1.256 0.503 1.00 0.00 H new ATOM 0 HD3 ARG A 36 1.399 -2.655 0.069 1.00 0.00 H new ATOM 0 HE ARG A 36 -0.618 -1.306 0.217 1.00 0.00 H new ATOM 0 HH11 ARG A 36 2.377 0.517 0.706 1.00 0.00 H new ATOM 0 HH12 ARG A 36 1.655 2.057 0.228 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -1.523 0.681 -0.435 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -0.540 2.150 -0.414 1.00 0.00 H new ATOM 489 N THR A 37 3.359 -0.962 4.936 1.00 0.00 N ATOM 490 CA THR A 37 3.154 0.280 5.617 1.00 0.00 C ATOM 491 C THR A 37 2.184 1.137 4.838 1.00 0.00 C ATOM 492 O THR A 37 2.488 1.596 3.731 1.00 0.00 O ATOM 493 CB THR A 37 4.477 1.031 5.791 1.00 0.00 C ATOM 494 OG1 THR A 37 5.259 0.897 4.597 1.00 0.00 O ATOM 495 CG2 THR A 37 5.253 0.484 6.973 1.00 0.00 C ATOM 0 H THR A 37 4.281 -1.059 4.510 1.00 0.00 H new ATOM 0 HA THR A 37 2.743 0.066 6.604 1.00 0.00 H new ATOM 0 HB THR A 37 4.262 2.083 5.977 1.00 0.00 H new ATOM 0 HG1 THR A 37 5.080 1.655 4.002 1.00 0.00 H new ATOM 0 HG21 THR A 37 6.189 1.032 7.078 1.00 0.00 H new ATOM 0 HG22 THR A 37 4.661 0.599 7.881 1.00 0.00 H new ATOM 0 HG23 THR A 37 5.467 -0.572 6.810 1.00 0.00 H new ATOM 503 N GLY A 38 1.015 1.328 5.396 1.00 0.00 N ATOM 504 CA GLY A 38 0.018 2.102 4.728 1.00 0.00 C ATOM 505 C GLY A 38 -0.776 1.271 3.771 1.00 0.00 C ATOM 506 O GLY A 38 -1.059 1.700 2.650 1.00 0.00 O ATOM 0 H GLY A 38 0.738 0.958 6.305 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -0.650 2.548 5.464 1.00 0.00 H new ATOM 0 HA3 GLY A 38 0.493 2.922 4.190 1.00 0.00 H new ATOM 510 N VAL A 39 -1.105 0.062 4.211 1.00 0.00 N ATOM 511 CA VAL A 39 -1.890 -0.875 3.428 1.00 0.00 C ATOM 512 C VAL A 39 -3.133 -0.211 2.822 1.00 0.00 C ATOM 513 O VAL A 39 -3.829 0.570 3.475 1.00 0.00 O ATOM 514 CB VAL A 39 -2.295 -2.112 4.274 1.00 0.00 C ATOM 515 CG1 VAL A 39 -3.149 -1.714 5.472 1.00 0.00 C ATOM 516 CG2 VAL A 39 -3.007 -3.145 3.423 1.00 0.00 C ATOM 0 H VAL A 39 -0.831 -0.294 5.127 1.00 0.00 H new ATOM 0 HA VAL A 39 -1.258 -1.211 2.606 1.00 0.00 H new ATOM 0 HB VAL A 39 -1.378 -2.561 4.656 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -3.414 -2.605 6.042 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -2.587 -1.030 6.108 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -4.057 -1.222 5.124 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -3.279 -4.001 4.041 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -3.908 -2.705 2.995 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -2.347 -3.473 2.620 1.00 0.00 H new ATOM 526 N SER A 40 -3.376 -0.518 1.567 1.00 0.00 N ATOM 527 CA SER A 40 -4.492 0.040 0.838 1.00 0.00 C ATOM 528 C SER A 40 -5.809 -0.526 1.360 1.00 0.00 C ATOM 529 O SER A 40 -5.891 -1.710 1.710 1.00 0.00 O ATOM 530 CB SER A 40 -4.336 -0.282 -0.646 1.00 0.00 C ATOM 531 OG SER A 40 -3.026 0.041 -1.102 1.00 0.00 O ATOM 0 H SER A 40 -2.804 -1.163 1.023 1.00 0.00 H new ATOM 0 HA SER A 40 -4.504 1.121 0.978 1.00 0.00 H new ATOM 0 HB2 SER A 40 -4.533 -1.341 -0.815 1.00 0.00 H new ATOM 0 HB3 SER A 40 -5.074 0.276 -1.223 1.00 0.00 H new ATOM 0 HG SER A 40 -2.973 -0.100 -2.070 1.00 0.00 H new ATOM 537 N GLN A 41 -6.843 0.311 1.388 1.00 0.00 N ATOM 538 CA GLN A 41 -8.154 -0.106 1.864 1.00 0.00 C ATOM 539 C GLN A 41 -8.756 -1.155 0.950 1.00 0.00 C ATOM 540 O GLN A 41 -9.750 -1.779 1.290 1.00 0.00 O ATOM 541 CB GLN A 41 -9.112 1.082 2.004 1.00 0.00 C ATOM 542 CG GLN A 41 -9.747 1.557 0.709 1.00 0.00 C ATOM 543 CD GLN A 41 -8.907 2.568 -0.042 1.00 0.00 C ATOM 544 OE1 GLN A 41 -7.668 2.546 -0.004 1.00 0.00 O ATOM 545 NE2 GLN A 41 -9.578 3.472 -0.705 1.00 0.00 N ATOM 0 H GLN A 41 -6.795 1.284 1.085 1.00 0.00 H new ATOM 0 HA GLN A 41 -8.011 -0.542 2.853 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -9.905 0.808 2.700 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -8.569 1.915 2.451 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -9.927 0.696 0.065 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -10.719 1.998 0.931 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -10.598 3.450 -0.708 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -9.082 4.199 -1.220 1.00 0.00 H new ATOM 554 N GLN A 42 -8.151 -1.320 -0.223 1.00 0.00 N ATOM 555 CA GLN A 42 -8.568 -2.327 -1.187 1.00 0.00 C ATOM 556 C GLN A 42 -8.769 -3.675 -0.499 1.00 0.00 C ATOM 557 O GLN A 42 -9.762 -4.356 -0.724 1.00 0.00 O ATOM 558 CB GLN A 42 -7.504 -2.467 -2.282 1.00 0.00 C ATOM 559 CG GLN A 42 -7.356 -1.247 -3.181 1.00 0.00 C ATOM 560 CD GLN A 42 -8.547 -1.054 -4.105 1.00 0.00 C ATOM 561 OE1 GLN A 42 -9.222 -2.017 -4.474 1.00 0.00 O ATOM 562 NE2 GLN A 42 -8.792 0.179 -4.507 1.00 0.00 N ATOM 0 H GLN A 42 -7.357 -0.757 -0.530 1.00 0.00 H new ATOM 0 HA GLN A 42 -9.513 -2.013 -1.631 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -6.543 -2.674 -1.812 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -7.749 -3.330 -2.901 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -7.233 -0.358 -2.563 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -6.450 -1.348 -3.778 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -8.209 0.948 -4.178 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -9.565 0.363 -5.147 1.00 0.00 H new ATOM 571 N ILE A 43 -7.827 -4.039 0.362 1.00 0.00 N ATOM 572 CA ILE A 43 -7.896 -5.308 1.066 1.00 0.00 C ATOM 573 C ILE A 43 -8.777 -5.224 2.327 1.00 0.00 C ATOM 574 O ILE A 43 -9.538 -6.141 2.619 1.00 0.00 O ATOM 575 CB ILE A 43 -6.469 -5.859 1.413 1.00 0.00 C ATOM 576 CG1 ILE A 43 -5.685 -4.895 2.313 1.00 0.00 C ATOM 577 CG2 ILE A 43 -5.684 -6.139 0.140 1.00 0.00 C ATOM 578 CD1 ILE A 43 -5.851 -5.159 3.802 1.00 0.00 C ATOM 0 H ILE A 43 -7.009 -3.473 0.588 1.00 0.00 H new ATOM 0 HA ILE A 43 -8.369 -6.016 0.385 1.00 0.00 H new ATOM 0 HB ILE A 43 -6.606 -6.789 1.964 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -4.627 -4.959 2.060 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -6.003 -3.875 2.098 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -4.696 -6.521 0.398 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -6.214 -6.880 -0.459 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -5.579 -5.218 -0.433 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -5.265 -4.435 4.368 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -6.903 -5.066 4.073 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -5.505 -6.166 4.034 1.00 0.00 H new ATOM 590 N ALA A 44 -8.662 -4.123 3.065 1.00 0.00 N ATOM 591 CA ALA A 44 -9.415 -3.944 4.304 1.00 0.00 C ATOM 592 C ALA A 44 -10.821 -3.391 4.056 1.00 0.00 C ATOM 593 O ALA A 44 -11.807 -4.122 4.161 1.00 0.00 O ATOM 594 CB ALA A 44 -8.641 -3.065 5.269 1.00 0.00 C ATOM 0 H ALA A 44 -8.054 -3.340 2.826 1.00 0.00 H new ATOM 0 HA ALA A 44 -9.544 -4.928 4.754 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -9.214 -2.940 6.188 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -7.684 -3.533 5.499 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -8.468 -2.090 4.814 1.00 0.00 H new ATOM 600 N SER A 45 -10.892 -2.073 3.761 1.00 0.00 N ATOM 601 CA SER A 45 -12.154 -1.350 3.469 1.00 0.00 C ATOM 602 C SER A 45 -12.928 -1.008 4.757 1.00 0.00 C ATOM 603 O SER A 45 -13.777 -0.117 4.766 1.00 0.00 O ATOM 604 CB SER A 45 -13.050 -2.147 2.497 1.00 0.00 C ATOM 605 OG SER A 45 -12.362 -2.450 1.287 1.00 0.00 O ATOM 0 H SER A 45 -10.067 -1.474 3.718 1.00 0.00 H new ATOM 0 HA SER A 45 -11.876 -0.413 2.986 1.00 0.00 H new ATOM 0 HB2 SER A 45 -13.375 -3.072 2.974 1.00 0.00 H new ATOM 0 HB3 SER A 45 -13.948 -1.572 2.273 1.00 0.00 H new ATOM 0 HG SER A 45 -11.462 -2.064 1.317 1.00 0.00 H new ATOM 611 N SER A 46 -12.612 -1.718 5.832 1.00 0.00 N ATOM 612 CA SER A 46 -13.288 -1.565 7.113 1.00 0.00 C ATOM 613 C SER A 46 -13.062 -0.185 7.758 1.00 0.00 C ATOM 614 O SER A 46 -13.911 0.706 7.657 1.00 0.00 O ATOM 615 CB SER A 46 -12.833 -2.677 8.049 1.00 0.00 C ATOM 616 OG SER A 46 -11.411 -2.777 8.070 1.00 0.00 O ATOM 0 H SER A 46 -11.874 -2.422 5.839 1.00 0.00 H new ATOM 0 HA SER A 46 -14.360 -1.637 6.932 1.00 0.00 H new ATOM 0 HB2 SER A 46 -13.202 -2.483 9.056 1.00 0.00 H new ATOM 0 HB3 SER A 46 -13.263 -3.626 7.728 1.00 0.00 H new ATOM 0 HG SER A 46 -11.143 -3.496 8.679 1.00 0.00 H new ATOM 622 N VAL A 47 -11.930 -0.021 8.431 1.00 0.00 N ATOM 623 CA VAL A 47 -11.613 1.245 9.096 1.00 0.00 C ATOM 624 C VAL A 47 -10.276 1.791 8.631 1.00 0.00 C ATOM 625 O VAL A 47 -10.117 2.996 8.435 1.00 0.00 O ATOM 626 CB VAL A 47 -11.604 1.112 10.646 1.00 0.00 C ATOM 627 CG1 VAL A 47 -13.004 0.839 11.164 1.00 0.00 C ATOM 628 CG2 VAL A 47 -10.645 0.012 11.101 1.00 0.00 C ATOM 0 H VAL A 47 -11.216 -0.743 8.533 1.00 0.00 H new ATOM 0 HA VAL A 47 -12.404 1.941 8.818 1.00 0.00 H new ATOM 0 HB VAL A 47 -11.254 2.057 11.061 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -12.979 0.749 12.250 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -13.663 1.661 10.883 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -13.377 -0.089 10.731 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -10.660 -0.057 12.189 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -10.955 -0.941 10.672 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -9.635 0.249 10.767 1.00 0.00 H new ATOM 638 N VAL A 48 -9.317 0.906 8.456 1.00 0.00 N ATOM 639 CA VAL A 48 -8.011 1.299 8.007 1.00 0.00 C ATOM 640 C VAL A 48 -8.008 1.497 6.497 1.00 0.00 C ATOM 641 O VAL A 48 -7.903 0.548 5.718 1.00 0.00 O ATOM 642 CB VAL A 48 -6.918 0.283 8.448 1.00 0.00 C ATOM 643 CG1 VAL A 48 -7.283 -1.140 8.055 1.00 0.00 C ATOM 644 CG2 VAL A 48 -5.551 0.670 7.894 1.00 0.00 C ATOM 0 H VAL A 48 -9.425 -0.095 8.621 1.00 0.00 H new ATOM 0 HA VAL A 48 -7.766 2.250 8.479 1.00 0.00 H new ATOM 0 HB VAL A 48 -6.863 0.318 9.536 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -6.496 -1.820 8.380 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -8.223 -1.419 8.531 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -7.392 -1.202 6.972 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -4.807 -0.058 8.219 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -5.591 0.687 6.805 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -5.276 1.658 8.262 1.00 0.00 H new ATOM 654 N GLN A 49 -8.189 2.733 6.089 1.00 0.00 N ATOM 655 CA GLN A 49 -8.201 3.055 4.685 1.00 0.00 C ATOM 656 C GLN A 49 -6.793 3.134 4.134 1.00 0.00 C ATOM 657 O GLN A 49 -6.536 2.753 2.992 1.00 0.00 O ATOM 658 CB GLN A 49 -8.937 4.360 4.429 1.00 0.00 C ATOM 659 CG GLN A 49 -10.421 4.300 4.741 1.00 0.00 C ATOM 660 CD GLN A 49 -11.147 5.565 4.341 1.00 0.00 C ATOM 661 OE1 GLN A 49 -11.287 6.490 5.132 1.00 0.00 O ATOM 662 NE2 GLN A 49 -11.600 5.616 3.104 1.00 0.00 N ATOM 0 H GLN A 49 -8.330 3.529 6.711 1.00 0.00 H new ATOM 0 HA GLN A 49 -8.730 2.254 4.169 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -8.481 5.147 5.030 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -8.806 4.641 3.384 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -10.864 3.450 4.222 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -10.558 4.128 5.809 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -11.462 4.823 2.477 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -12.088 6.448 2.774 1.00 0.00 H new ATOM 671 N ARG A 50 -5.886 3.661 4.931 1.00 0.00 N ATOM 672 CA ARG A 50 -4.520 3.772 4.515 1.00 0.00 C ATOM 673 C ARG A 50 -3.556 3.781 5.692 1.00 0.00 C ATOM 674 O ARG A 50 -2.346 3.880 5.493 1.00 0.00 O ATOM 675 CB ARG A 50 -4.370 5.050 3.751 1.00 0.00 C ATOM 676 CG ARG A 50 -3.116 5.133 2.954 1.00 0.00 C ATOM 677 CD ARG A 50 -3.392 5.784 1.640 1.00 0.00 C ATOM 678 NE ARG A 50 -4.423 5.025 0.897 1.00 0.00 N ATOM 679 CZ ARG A 50 -4.852 5.304 -0.334 1.00 0.00 C ATOM 680 NH1 ARG A 50 -4.322 6.301 -1.015 1.00 0.00 N ATOM 681 NH2 ARG A 50 -5.821 4.578 -0.885 1.00 0.00 N ATOM 0 H ARG A 50 -6.079 4.016 5.868 1.00 0.00 H new ATOM 0 HA ARG A 50 -4.276 2.905 3.901 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -5.223 5.164 3.081 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -4.400 5.886 4.450 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -2.364 5.702 3.501 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -2.708 4.135 2.797 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -3.728 6.809 1.798 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -2.475 5.836 1.053 1.00 0.00 H new ATOM 0 HE ARG A 50 -4.840 4.221 1.366 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -3.579 6.864 -0.600 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -4.655 6.509 -1.956 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -6.238 3.806 -0.365 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -6.147 4.794 -1.827 1.00 0.00 H new ATOM 695 N ALA A 51 -4.090 3.683 6.917 1.00 0.00 N ATOM 696 CA ALA A 51 -3.285 3.819 8.151 1.00 0.00 C ATOM 697 C ALA A 51 -2.805 5.268 8.316 1.00 0.00 C ATOM 698 O ALA A 51 -2.942 5.856 9.380 1.00 0.00 O ATOM 699 CB ALA A 51 -2.109 2.837 8.181 1.00 0.00 C ATOM 0 H ALA A 51 -5.081 3.509 7.086 1.00 0.00 H new ATOM 0 HA ALA A 51 -3.926 3.567 8.996 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -1.546 2.972 9.104 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -2.487 1.816 8.132 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -1.457 3.024 7.328 1.00 0.00 H new ATOM 705 N ALA A 52 -2.248 5.832 7.242 1.00 0.00 N ATOM 706 CA ALA A 52 -1.825 7.218 7.229 1.00 0.00 C ATOM 707 C ALA A 52 -3.009 8.117 7.453 1.00 0.00 C ATOM 708 O ALA A 52 -4.097 7.874 6.909 1.00 0.00 O ATOM 709 CB ALA A 52 -1.165 7.567 5.915 1.00 0.00 C ATOM 0 H ALA A 52 -2.082 5.337 6.366 1.00 0.00 H new ATOM 0 HA ALA A 52 -1.101 7.362 8.031 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -0.856 8.612 5.929 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -0.291 6.932 5.767 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -1.871 7.408 5.100 1.00 0.00 H new ATOM 715 N GLN A 53 -2.790 9.165 8.213 1.00 0.00 N ATOM 716 CA GLN A 53 -3.840 10.096 8.584 1.00 0.00 C ATOM 717 C GLN A 53 -4.525 10.687 7.352 1.00 0.00 C ATOM 718 O GLN A 53 -5.700 10.981 7.385 1.00 0.00 O ATOM 719 CB GLN A 53 -3.270 11.220 9.452 1.00 0.00 C ATOM 720 CG GLN A 53 -2.262 10.751 10.499 1.00 0.00 C ATOM 721 CD GLN A 53 -2.829 9.715 11.447 1.00 0.00 C ATOM 722 OE1 GLN A 53 -4.017 9.715 11.746 1.00 0.00 O ATOM 723 NE2 GLN A 53 -1.980 8.825 11.921 1.00 0.00 N ATOM 0 H GLN A 53 -1.874 9.400 8.595 1.00 0.00 H new ATOM 0 HA GLN A 53 -4.587 9.543 9.154 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -2.791 11.956 8.806 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -4.092 11.727 9.957 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -1.390 10.335 9.994 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -1.917 11.611 11.074 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -0.998 8.860 11.647 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -2.305 8.101 12.562 1.00 0.00 H new ATOM 732 N SER A 54 -3.785 10.825 6.262 1.00 0.00 N ATOM 733 CA SER A 54 -4.331 11.400 5.042 1.00 0.00 C ATOM 734 C SER A 54 -5.605 10.684 4.588 1.00 0.00 C ATOM 735 O SER A 54 -6.680 11.285 4.521 1.00 0.00 O ATOM 736 CB SER A 54 -3.282 11.393 3.928 1.00 0.00 C ATOM 737 OG SER A 54 -2.148 12.167 4.294 1.00 0.00 O ATOM 0 H SER A 54 -2.806 10.547 6.197 1.00 0.00 H new ATOM 0 HA SER A 54 -4.603 12.432 5.264 1.00 0.00 H new ATOM 0 HB2 SER A 54 -2.975 10.368 3.718 1.00 0.00 H new ATOM 0 HB3 SER A 54 -3.717 11.790 3.011 1.00 0.00 H new ATOM 0 HG SER A 54 -1.490 12.147 3.568 1.00 0.00 H new ATOM 743 N LEU A 55 -5.485 9.418 4.279 1.00 0.00 N ATOM 744 CA LEU A 55 -6.621 8.648 3.803 1.00 0.00 C ATOM 745 C LEU A 55 -7.427 8.020 4.932 1.00 0.00 C ATOM 746 O LEU A 55 -8.645 7.934 4.849 1.00 0.00 O ATOM 747 CB LEU A 55 -6.165 7.570 2.828 1.00 0.00 C ATOM 748 CG LEU A 55 -6.117 7.960 1.350 1.00 0.00 C ATOM 749 CD1 LEU A 55 -7.497 8.340 0.849 1.00 0.00 C ATOM 750 CD2 LEU A 55 -5.121 9.084 1.118 1.00 0.00 C ATOM 0 H LEU A 55 -4.614 8.892 4.346 1.00 0.00 H new ATOM 0 HA LEU A 55 -7.279 9.351 3.292 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -5.170 7.240 3.126 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -6.830 6.713 2.933 1.00 0.00 H new ATOM 0 HG LEU A 55 -5.780 7.094 0.781 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -7.439 8.614 -0.204 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -8.173 7.493 0.967 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -7.872 9.187 1.424 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -5.105 9.343 0.059 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -5.415 9.957 1.701 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -4.127 8.759 1.427 1.00 0.00 H new ATOM 762 N ALA A 56 -6.750 7.592 5.985 1.00 0.00 N ATOM 763 CA ALA A 56 -7.405 6.849 7.051 1.00 0.00 C ATOM 764 C ALA A 56 -8.167 7.717 8.030 1.00 0.00 C ATOM 765 O ALA A 56 -9.045 7.216 8.720 1.00 0.00 O ATOM 766 CB ALA A 56 -6.417 5.974 7.784 1.00 0.00 C ATOM 0 H ALA A 56 -5.751 7.745 6.125 1.00 0.00 H new ATOM 0 HA ALA A 56 -8.149 6.225 6.556 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -6.931 5.429 8.576 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -5.971 5.265 7.086 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -5.634 6.595 8.220 1.00 0.00 H new ATOM 772 N SER A 57 -7.835 9.000 8.114 1.00 0.00 N ATOM 773 CA SER A 57 -8.541 9.885 9.038 1.00 0.00 C ATOM 774 C SER A 57 -9.997 10.020 8.606 1.00 0.00 C ATOM 775 O SER A 57 -10.337 10.843 7.752 1.00 0.00 O ATOM 776 CB SER A 57 -7.871 11.262 9.124 1.00 0.00 C ATOM 777 OG SER A 57 -8.319 11.983 10.259 1.00 0.00 O ATOM 0 H SER A 57 -7.098 9.445 7.567 1.00 0.00 H new ATOM 0 HA SER A 57 -8.500 9.444 10.034 1.00 0.00 H new ATOM 0 HB2 SER A 57 -6.789 11.140 9.172 1.00 0.00 H new ATOM 0 HB3 SER A 57 -8.088 11.831 8.220 1.00 0.00 H new ATOM 0 HG SER A 57 -7.874 12.856 10.289 1.00 0.00 H new ATOM 783 N THR A 58 -10.836 9.178 9.171 1.00 0.00 N ATOM 784 CA THR A 58 -12.232 9.141 8.824 1.00 0.00 C ATOM 785 C THR A 58 -13.106 8.954 10.079 1.00 0.00 C ATOM 786 O THR A 58 -14.227 9.458 10.149 1.00 0.00 O ATOM 787 CB THR A 58 -12.496 7.999 7.798 1.00 0.00 C ATOM 788 OG1 THR A 58 -13.855 8.021 7.354 1.00 0.00 O ATOM 789 CG2 THR A 58 -12.172 6.634 8.395 1.00 0.00 C ATOM 0 H THR A 58 -10.564 8.501 9.884 1.00 0.00 H new ATOM 0 HA THR A 58 -12.500 10.094 8.368 1.00 0.00 H new ATOM 0 HB THR A 58 -11.840 8.168 6.944 1.00 0.00 H new ATOM 0 HG1 THR A 58 -14.000 7.297 6.709 1.00 0.00 H new ATOM 0 HG21 THR A 58 -12.366 5.858 7.655 1.00 0.00 H new ATOM 0 HG22 THR A 58 -11.122 6.604 8.685 1.00 0.00 H new ATOM 0 HG23 THR A 58 -12.796 6.463 9.272 1.00 0.00 H new ATOM 797 N LEU A 59 -12.570 8.247 11.071 1.00 0.00 N ATOM 798 CA LEU A 59 -13.289 7.990 12.322 1.00 0.00 C ATOM 799 C LEU A 59 -12.546 8.600 13.504 1.00 0.00 C ATOM 800 O LEU A 59 -12.777 8.226 14.653 1.00 0.00 O ATOM 801 CB LEU A 59 -13.445 6.480 12.551 1.00 0.00 C ATOM 802 CG LEU A 59 -14.326 5.724 11.553 1.00 0.00 C ATOM 803 CD1 LEU A 59 -14.282 4.231 11.836 1.00 0.00 C ATOM 804 CD2 LEU A 59 -15.759 6.234 11.610 1.00 0.00 C ATOM 0 H LEU A 59 -11.636 7.839 11.035 1.00 0.00 H new ATOM 0 HA LEU A 59 -14.275 8.449 12.242 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -12.453 6.029 12.540 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -13.853 6.327 13.550 1.00 0.00 H new ATOM 0 HG LEU A 59 -13.940 5.900 10.549 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -14.913 3.706 11.119 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -13.256 3.874 11.746 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -14.645 4.041 12.846 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -16.370 5.684 10.894 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -16.158 6.088 12.614 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -15.777 7.296 11.363 1.00 0.00 H new ATOM 816 N GLY A 60 -11.666 9.544 13.219 1.00 0.00 N ATOM 817 CA GLY A 60 -10.858 10.133 14.265 1.00 0.00 C ATOM 818 C GLY A 60 -9.629 9.302 14.516 1.00 0.00 C ATOM 819 O GLY A 60 -9.467 8.720 15.585 1.00 0.00 O ATOM 0 H GLY A 60 -11.496 9.913 12.284 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -10.568 11.145 13.982 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -11.442 10.214 15.182 1.00 0.00 H new ATOM 823 N VAL A 61 -8.762 9.243 13.526 1.00 0.00 N ATOM 824 CA VAL A 61 -7.579 8.415 13.606 1.00 0.00 C ATOM 825 C VAL A 61 -6.419 9.170 14.208 1.00 0.00 C ATOM 826 O VAL A 61 -6.014 10.223 13.711 1.00 0.00 O ATOM 827 CB VAL A 61 -7.181 7.863 12.221 1.00 0.00 C ATOM 828 CG1 VAL A 61 -5.882 7.070 12.295 1.00 0.00 C ATOM 829 CG2 VAL A 61 -8.294 7.006 11.657 1.00 0.00 C ATOM 0 H VAL A 61 -8.856 9.762 12.653 1.00 0.00 H new ATOM 0 HA VAL A 61 -7.824 7.575 14.257 1.00 0.00 H new ATOM 0 HB VAL A 61 -7.018 8.710 11.555 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -5.628 6.694 11.304 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -5.081 7.716 12.654 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -6.006 6.231 12.980 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -7.999 6.624 10.680 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -8.487 6.171 12.330 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -9.198 7.606 11.554 1.00 0.00 H new ATOM 839 N ASP A 62 -5.904 8.617 15.284 1.00 0.00 N ATOM 840 CA ASP A 62 -4.765 9.170 16.000 1.00 0.00 C ATOM 841 C ASP A 62 -4.394 8.271 17.166 1.00 0.00 C ATOM 842 O ASP A 62 -4.886 8.447 18.283 1.00 0.00 O ATOM 843 CB ASP A 62 -5.043 10.588 16.506 1.00 0.00 C ATOM 844 CG ASP A 62 -3.839 11.186 17.196 1.00 0.00 C ATOM 845 OD1 ASP A 62 -2.790 11.336 16.538 1.00 0.00 O ATOM 846 OD2 ASP A 62 -3.934 11.510 18.392 1.00 0.00 O ATOM 0 H ASP A 62 -6.267 7.757 15.696 1.00 0.00 H new ATOM 0 HA ASP A 62 -3.932 9.223 15.299 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -5.333 11.222 15.668 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -5.885 10.568 17.198 1.00 0.00 H new ATOM 851 N GLY A 63 -3.580 7.270 16.886 1.00 0.00 N ATOM 852 CA GLY A 63 -3.128 6.351 17.919 1.00 0.00 C ATOM 853 C GLY A 63 -4.183 5.329 18.315 1.00 0.00 C ATOM 854 O GLY A 63 -3.935 4.123 18.253 1.00 0.00 O ATOM 0 H GLY A 63 -3.218 7.071 15.954 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -2.239 5.828 17.567 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -2.835 6.921 18.800 1.00 0.00 H new ATOM 858 N ASN A 64 -5.361 5.821 18.704 1.00 0.00 N ATOM 859 CA ASN A 64 -6.476 4.981 19.164 1.00 0.00 C ATOM 860 C ASN A 64 -6.776 3.858 18.188 1.00 0.00 C ATOM 861 O ASN A 64 -6.358 2.718 18.390 1.00 0.00 O ATOM 862 CB ASN A 64 -7.739 5.830 19.382 1.00 0.00 C ATOM 863 CG ASN A 64 -7.595 6.815 20.522 1.00 0.00 C ATOM 864 OD1 ASN A 64 -6.894 6.552 21.494 1.00 0.00 O ATOM 865 ND2 ASN A 64 -8.248 7.957 20.408 1.00 0.00 N ATOM 0 H ASN A 64 -5.572 6.819 18.710 1.00 0.00 H new ATOM 0 HA ASN A 64 -6.173 4.535 20.111 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -7.968 6.373 18.465 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -8.584 5.171 19.582 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -8.180 8.659 21.145 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -8.821 8.137 19.583 1.00 0.00 H new ATOM 872 N ASN A 65 -7.486 4.189 17.131 1.00 0.00 N ATOM 873 CA ASN A 65 -7.857 3.221 16.109 1.00 0.00 C ATOM 874 C ASN A 65 -6.762 3.088 15.054 1.00 0.00 C ATOM 875 O ASN A 65 -6.987 2.540 13.980 1.00 0.00 O ATOM 876 CB ASN A 65 -9.197 3.602 15.461 1.00 0.00 C ATOM 877 CG ASN A 65 -9.169 4.955 14.773 1.00 0.00 C ATOM 878 OD1 ASN A 65 -8.399 5.847 15.144 1.00 0.00 O ATOM 879 ND2 ASN A 65 -10.023 5.124 13.782 1.00 0.00 N ATOM 0 H ASN A 65 -7.824 5.134 16.952 1.00 0.00 H new ATOM 0 HA ASN A 65 -7.975 2.251 16.592 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -9.471 2.838 14.733 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -9.974 3.607 16.226 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -10.064 6.017 13.291 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -10.642 4.361 13.507 1.00 0.00 H new ATOM 886 N LEU A 66 -5.584 3.600 15.369 1.00 0.00 N ATOM 887 CA LEU A 66 -4.448 3.505 14.473 1.00 0.00 C ATOM 888 C LEU A 66 -3.679 2.205 14.713 1.00 0.00 C ATOM 889 O LEU A 66 -3.627 1.334 13.849 1.00 0.00 O ATOM 890 CB LEU A 66 -3.527 4.713 14.648 1.00 0.00 C ATOM 891 CG LEU A 66 -2.275 4.729 13.771 1.00 0.00 C ATOM 892 CD1 LEU A 66 -2.646 4.651 12.300 1.00 0.00 C ATOM 893 CD2 LEU A 66 -1.453 5.976 14.047 1.00 0.00 C ATOM 0 H LEU A 66 -5.391 4.088 16.244 1.00 0.00 H new ATOM 0 HA LEU A 66 -4.819 3.499 13.448 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -4.102 5.616 14.444 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.217 4.761 15.692 1.00 0.00 H new ATOM 0 HG LEU A 66 -1.673 3.854 14.016 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -1.739 4.664 11.695 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -3.195 3.728 12.112 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -3.270 5.505 12.036 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -0.565 5.973 13.415 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -2.051 6.861 13.829 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -1.153 5.989 15.095 1.00 0.00 H new ATOM 905 N ALA A 67 -3.084 2.086 15.896 1.00 0.00 N ATOM 906 CA ALA A 67 -2.339 0.886 16.251 1.00 0.00 C ATOM 907 C ALA A 67 -3.303 -0.231 16.600 1.00 0.00 C ATOM 908 O ALA A 67 -3.076 -1.399 16.286 1.00 0.00 O ATOM 909 CB ALA A 67 -1.407 1.168 17.419 1.00 0.00 C ATOM 0 H ALA A 67 -3.104 2.803 16.621 1.00 0.00 H new ATOM 0 HA ALA A 67 -1.735 0.578 15.398 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -0.857 0.262 17.673 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -0.704 1.954 17.142 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -1.991 1.491 18.281 1.00 0.00 H new ATOM 915 N ARG A 68 -4.386 0.148 17.239 1.00 0.00 N ATOM 916 CA ARG A 68 -5.423 -0.780 17.615 1.00 0.00 C ATOM 917 C ARG A 68 -6.539 -0.700 16.597 1.00 0.00 C ATOM 918 O ARG A 68 -6.631 0.281 15.877 1.00 0.00 O ATOM 919 CB ARG A 68 -5.941 -0.443 19.011 1.00 0.00 C ATOM 920 CG ARG A 68 -4.927 -0.701 20.115 1.00 0.00 C ATOM 921 CD ARG A 68 -5.245 0.106 21.361 1.00 0.00 C ATOM 922 NE ARG A 68 -5.059 1.544 21.134 1.00 0.00 N ATOM 923 CZ ARG A 68 -4.970 2.460 22.105 1.00 0.00 C ATOM 924 NH1 ARG A 68 -5.080 2.100 23.380 1.00 0.00 N ATOM 925 NH2 ARG A 68 -4.765 3.734 21.797 1.00 0.00 N ATOM 0 H ARG A 68 -4.571 1.113 17.513 1.00 0.00 H new ATOM 0 HA ARG A 68 -5.027 -1.795 17.636 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -6.235 0.606 19.037 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -6.838 -1.030 19.208 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -4.917 -1.763 20.361 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -3.928 -0.446 19.760 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -6.274 -0.085 21.666 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -4.604 -0.220 22.180 1.00 0.00 H new ATOM 0 HE ARG A 68 -4.993 1.867 20.169 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -5.233 1.121 23.622 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -5.011 2.803 24.116 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -4.675 4.015 20.820 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -4.697 4.433 22.537 1.00 0.00 H new ATOM 939 N PHE A 69 -7.371 -1.733 16.537 1.00 0.00 N ATOM 940 CA PHE A 69 -8.492 -1.808 15.579 1.00 0.00 C ATOM 941 C PHE A 69 -8.002 -1.981 14.133 1.00 0.00 C ATOM 942 O PHE A 69 -8.275 -2.995 13.506 1.00 0.00 O ATOM 943 CB PHE A 69 -9.427 -0.582 15.693 1.00 0.00 C ATOM 944 CG PHE A 69 -10.112 -0.461 17.029 1.00 0.00 C ATOM 945 CD1 PHE A 69 -11.315 -1.105 17.264 1.00 0.00 C ATOM 946 CD2 PHE A 69 -9.554 0.298 18.045 1.00 0.00 C ATOM 947 CE1 PHE A 69 -11.947 -0.996 18.487 1.00 0.00 C ATOM 948 CE2 PHE A 69 -10.180 0.411 19.270 1.00 0.00 C ATOM 949 CZ PHE A 69 -11.379 -0.237 19.491 1.00 0.00 C ATOM 0 H PHE A 69 -7.296 -2.547 17.147 1.00 0.00 H new ATOM 0 HA PHE A 69 -9.067 -2.695 15.844 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -8.848 0.323 15.509 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -10.184 -0.640 14.911 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -11.764 -1.699 16.482 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -8.617 0.808 17.876 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -12.885 -1.504 18.658 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -9.733 1.005 20.054 1.00 0.00 H new ATOM 0 HZ PHE A 69 -11.872 -0.150 20.448 1.00 0.00 H new ATOM 959 N ALA A 70 -7.259 -1.001 13.628 1.00 0.00 N ATOM 960 CA ALA A 70 -6.759 -1.032 12.252 1.00 0.00 C ATOM 961 C ALA A 70 -5.812 -2.208 12.027 1.00 0.00 C ATOM 962 O ALA A 70 -6.101 -3.109 11.231 1.00 0.00 O ATOM 963 CB ALA A 70 -6.055 0.275 11.930 1.00 0.00 C ATOM 0 H ALA A 70 -6.987 -0.170 14.152 1.00 0.00 H new ATOM 0 HA ALA A 70 -7.612 -1.160 11.585 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -5.685 0.246 10.905 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -6.756 1.102 12.040 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -5.218 0.416 12.614 1.00 0.00 H new ATOM 969 N VAL A 71 -4.692 -2.202 12.738 1.00 0.00 N ATOM 970 CA VAL A 71 -3.704 -3.269 12.627 1.00 0.00 C ATOM 971 C VAL A 71 -4.276 -4.571 13.111 1.00 0.00 C ATOM 972 O VAL A 71 -4.051 -5.604 12.506 1.00 0.00 O ATOM 973 CB VAL A 71 -2.412 -2.935 13.418 1.00 0.00 C ATOM 974 CG1 VAL A 71 -1.373 -4.041 13.258 1.00 0.00 C ATOM 975 CG2 VAL A 71 -1.841 -1.598 12.964 1.00 0.00 C ATOM 0 H VAL A 71 -4.444 -1.467 13.400 1.00 0.00 H new ATOM 0 HA VAL A 71 -3.442 -3.362 11.573 1.00 0.00 H new ATOM 0 HB VAL A 71 -2.670 -2.863 14.475 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -0.477 -3.783 13.822 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -1.780 -4.980 13.634 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -1.119 -4.152 12.204 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -0.935 -1.379 13.529 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -1.603 -1.646 11.901 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -2.575 -0.811 13.137 1.00 0.00 H new ATOM 985 N GLN A 72 -5.051 -4.513 14.172 1.00 0.00 N ATOM 986 CA GLN A 72 -5.636 -5.708 14.743 1.00 0.00 C ATOM 987 C GLN A 72 -6.546 -6.418 13.743 1.00 0.00 C ATOM 988 O GLN A 72 -6.424 -7.611 13.548 1.00 0.00 O ATOM 989 CB GLN A 72 -6.394 -5.384 16.026 1.00 0.00 C ATOM 990 CG GLN A 72 -5.548 -4.670 17.068 1.00 0.00 C ATOM 991 CD GLN A 72 -6.248 -4.550 18.404 1.00 0.00 C ATOM 992 OE1 GLN A 72 -6.986 -3.594 18.648 1.00 0.00 O ATOM 993 NE2 GLN A 72 -6.008 -5.505 19.279 1.00 0.00 N ATOM 0 H GLN A 72 -5.292 -3.649 14.658 1.00 0.00 H new ATOM 0 HA GLN A 72 -4.820 -6.387 14.989 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -7.256 -4.763 15.782 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -6.779 -6.309 16.454 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -4.610 -5.209 17.201 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -5.294 -3.674 16.704 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -5.390 -6.278 19.033 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -6.440 -5.471 20.202 1.00 0.00 H new ATOM 1002 N ALA A 73 -7.427 -5.669 13.088 1.00 0.00 N ATOM 1003 CA ALA A 73 -8.367 -6.251 12.129 1.00 0.00 C ATOM 1004 C ALA A 73 -7.643 -6.939 10.974 1.00 0.00 C ATOM 1005 O ALA A 73 -7.892 -8.109 10.685 1.00 0.00 O ATOM 1006 CB ALA A 73 -9.315 -5.186 11.598 1.00 0.00 C ATOM 0 H ALA A 73 -7.512 -4.659 13.202 1.00 0.00 H new ATOM 0 HA ALA A 73 -8.945 -7.009 12.657 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -10.007 -5.637 10.886 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -9.877 -4.753 12.426 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -8.742 -4.404 11.101 1.00 0.00 H new ATOM 1012 N VAL A 74 -6.737 -6.214 10.329 1.00 0.00 N ATOM 1013 CA VAL A 74 -6.001 -6.759 9.190 1.00 0.00 C ATOM 1014 C VAL A 74 -5.092 -7.904 9.626 1.00 0.00 C ATOM 1015 O VAL A 74 -4.964 -8.916 8.932 1.00 0.00 O ATOM 1016 CB VAL A 74 -5.161 -5.673 8.478 1.00 0.00 C ATOM 1017 CG1 VAL A 74 -4.455 -6.249 7.257 1.00 0.00 C ATOM 1018 CG2 VAL A 74 -6.042 -4.500 8.078 1.00 0.00 C ATOM 0 H VAL A 74 -6.494 -5.254 10.571 1.00 0.00 H new ATOM 0 HA VAL A 74 -6.741 -7.137 8.485 1.00 0.00 H new ATOM 0 HB VAL A 74 -4.402 -5.317 9.174 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -3.870 -5.467 6.772 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -3.793 -7.058 7.567 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -5.196 -6.635 6.557 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -5.436 -3.744 7.578 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -6.823 -4.846 7.401 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -6.499 -4.068 8.968 1.00 0.00 H new ATOM 1028 N SER A 75 -4.494 -7.753 10.791 1.00 0.00 N ATOM 1029 CA SER A 75 -3.602 -8.756 11.336 1.00 0.00 C ATOM 1030 C SER A 75 -4.379 -9.950 11.933 1.00 0.00 C ATOM 1031 O SER A 75 -3.790 -10.885 12.475 1.00 0.00 O ATOM 1032 CB SER A 75 -2.663 -8.110 12.361 1.00 0.00 C ATOM 1033 OG SER A 75 -1.687 -7.311 11.714 1.00 0.00 O ATOM 0 H SER A 75 -4.613 -6.933 11.385 1.00 0.00 H new ATOM 0 HA SER A 75 -2.998 -9.163 10.525 1.00 0.00 H new ATOM 0 HB2 SER A 75 -3.240 -7.498 13.054 1.00 0.00 H new ATOM 0 HB3 SER A 75 -2.173 -8.884 12.951 1.00 0.00 H new ATOM 0 HG SER A 75 -2.001 -6.384 11.668 1.00 0.00 H new ATOM 1039 N ARG A 76 -5.705 -9.900 11.841 1.00 0.00 N ATOM 1040 CA ARG A 76 -6.551 -11.007 12.271 1.00 0.00 C ATOM 1041 C ARG A 76 -7.220 -11.650 11.072 1.00 0.00 C ATOM 1042 O ARG A 76 -7.921 -12.654 11.204 1.00 0.00 O ATOM 1043 CB ARG A 76 -7.620 -10.547 13.267 1.00 0.00 C ATOM 1044 CG ARG A 76 -7.103 -10.222 14.661 1.00 0.00 C ATOM 1045 CD ARG A 76 -6.501 -11.437 15.346 1.00 0.00 C ATOM 1046 NE ARG A 76 -5.143 -11.735 14.881 1.00 0.00 N ATOM 1047 CZ ARG A 76 -4.365 -12.680 15.409 1.00 0.00 C ATOM 1048 NH1 ARG A 76 -4.820 -13.448 16.396 1.00 0.00 N ATOM 1049 NH2 ARG A 76 -3.134 -12.859 14.949 1.00 0.00 N ATOM 0 H ARG A 76 -6.218 -9.100 11.470 1.00 0.00 H new ATOM 0 HA ARG A 76 -5.911 -11.735 12.770 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -8.114 -9.663 12.864 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -8.378 -11.326 13.349 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -6.352 -9.435 14.594 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -7.920 -9.832 15.268 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -6.483 -11.270 16.423 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -7.139 -12.302 15.168 1.00 0.00 H new ATOM 0 HE ARG A 76 -4.771 -11.186 14.106 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -5.767 -13.315 16.751 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -4.222 -14.170 16.798 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -2.783 -12.274 14.191 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -2.539 -13.582 15.353 1.00 0.00 H new ATOM 1063 N LEU A 77 -7.003 -11.067 9.903 1.00 0.00 N ATOM 1064 CA LEU A 77 -7.591 -11.578 8.681 1.00 0.00 C ATOM 1065 C LEU A 77 -6.890 -12.836 8.220 1.00 0.00 C ATOM 1066 O LEU A 77 -5.670 -12.847 8.030 1.00 0.00 O ATOM 1067 CB LEU A 77 -7.552 -10.532 7.570 1.00 0.00 C ATOM 1068 CG LEU A 77 -8.528 -9.375 7.710 1.00 0.00 C ATOM 1069 CD1 LEU A 77 -8.318 -8.371 6.585 1.00 0.00 C ATOM 1070 CD2 LEU A 77 -9.963 -9.883 7.709 1.00 0.00 C ATOM 0 H LEU A 77 -6.422 -10.238 9.778 1.00 0.00 H new ATOM 0 HA LEU A 77 -8.631 -11.817 8.901 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -6.542 -10.125 7.516 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -7.745 -11.032 6.621 1.00 0.00 H new ATOM 0 HG LEU A 77 -8.342 -8.877 8.662 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -9.023 -7.547 6.696 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -7.299 -7.985 6.627 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -8.481 -8.861 5.625 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -10.647 -9.041 7.810 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -10.164 -10.403 6.773 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -10.107 -10.569 8.544 1.00 0.00 H new ATOM 1171 N TYR A 86 -2.775 -10.186 -0.330 1.00 0.00 N ATOM 1172 CA TYR A 86 -2.991 -8.884 0.251 1.00 0.00 C ATOM 1173 C TYR A 86 -2.054 -7.865 -0.398 1.00 0.00 C ATOM 1174 O TYR A 86 -1.438 -8.144 -1.424 1.00 0.00 O ATOM 1175 CB TYR A 86 -2.788 -8.937 1.774 1.00 0.00 C ATOM 1176 CG TYR A 86 -3.935 -9.594 2.510 1.00 0.00 C ATOM 1177 CD1 TYR A 86 -4.121 -10.969 2.467 1.00 0.00 C ATOM 1178 CD2 TYR A 86 -4.839 -8.831 3.238 1.00 0.00 C ATOM 1179 CE1 TYR A 86 -5.178 -11.567 3.124 1.00 0.00 C ATOM 1180 CE2 TYR A 86 -5.897 -9.419 3.902 1.00 0.00 C ATOM 1181 CZ TYR A 86 -6.062 -10.790 3.840 1.00 0.00 C ATOM 1182 OH TYR A 86 -7.120 -11.385 4.485 1.00 0.00 O ATOM 0 HA TYR A 86 -4.019 -8.573 0.063 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -1.868 -9.479 1.992 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -2.657 -7.923 2.151 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -3.427 -11.581 1.910 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -4.712 -7.760 3.285 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -5.311 -12.638 3.077 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -6.590 -8.812 4.466 1.00 0.00 H new ATOM 0 HH TYR A 86 -6.871 -12.295 4.751 1.00 0.00 H new ATOM 1192 N ALA A 87 -1.931 -6.702 0.204 1.00 0.00 N ATOM 1193 CA ALA A 87 -1.091 -5.643 -0.345 1.00 0.00 C ATOM 1194 C ALA A 87 0.392 -5.912 -0.092 1.00 0.00 C ATOM 1195 O ALA A 87 1.227 -5.040 -0.303 1.00 0.00 O ATOM 1196 CB ALA A 87 -1.488 -4.309 0.253 1.00 0.00 C ATOM 0 H ALA A 87 -2.401 -6.459 1.076 1.00 0.00 H new ATOM 0 HA ALA A 87 -1.244 -5.618 -1.424 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -0.857 -3.522 -0.161 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -2.531 -4.100 0.016 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -1.362 -4.343 1.335 1.00 0.00 H new ATOM 1202 N GLN A 88 0.699 -7.123 0.345 1.00 0.00 N ATOM 1203 CA GLN A 88 2.058 -7.516 0.676 1.00 0.00 C ATOM 1204 C GLN A 88 2.941 -7.571 -0.563 1.00 0.00 C ATOM 1205 O GLN A 88 3.927 -6.845 -0.670 1.00 0.00 O ATOM 1206 CB GLN A 88 2.068 -8.885 1.379 1.00 0.00 C ATOM 1207 CG GLN A 88 1.909 -8.841 2.904 1.00 0.00 C ATOM 1208 CD GLN A 88 0.514 -8.455 3.392 1.00 0.00 C ATOM 1209 OE1 GLN A 88 -0.203 -7.683 2.766 1.00 0.00 O ATOM 1210 NE2 GLN A 88 0.126 -9.000 4.526 1.00 0.00 N ATOM 0 H GLN A 88 0.010 -7.863 0.480 1.00 0.00 H new ATOM 0 HA GLN A 88 2.460 -6.760 1.351 1.00 0.00 H new ATOM 0 HB2 GLN A 88 1.265 -9.494 0.964 1.00 0.00 H new ATOM 0 HB3 GLN A 88 3.005 -9.389 1.142 1.00 0.00 H new ATOM 0 HG2 GLN A 88 2.162 -9.820 3.310 1.00 0.00 H new ATOM 0 HG3 GLN A 88 2.630 -8.131 3.310 1.00 0.00 H new ATOM 0 HE21 GLN A 88 0.746 -9.639 5.023 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -0.795 -8.783 4.907 1.00 0.00 H new ATOM 1219 N ALA A 89 2.568 -8.412 -1.508 1.00 0.00 N ATOM 1220 CA ALA A 89 3.351 -8.579 -2.720 1.00 0.00 C ATOM 1221 C ALA A 89 3.274 -7.338 -3.593 1.00 0.00 C ATOM 1222 O ALA A 89 4.226 -6.992 -4.287 1.00 0.00 O ATOM 1223 CB ALA A 89 2.873 -9.799 -3.489 1.00 0.00 C ATOM 0 H ALA A 89 1.729 -8.990 -1.461 1.00 0.00 H new ATOM 0 HA ALA A 89 4.393 -8.727 -2.436 1.00 0.00 H new ATOM 0 HB1 ALA A 89 3.467 -9.914 -4.395 1.00 0.00 H new ATOM 0 HB2 ALA A 89 2.984 -10.687 -2.867 1.00 0.00 H new ATOM 0 HB3 ALA A 89 1.824 -9.672 -3.757 1.00 0.00 H new ATOM 1229 N PHE A 90 2.148 -6.651 -3.523 1.00 0.00 N ATOM 1230 CA PHE A 90 1.914 -5.474 -4.343 1.00 0.00 C ATOM 1231 C PHE A 90 2.540 -4.215 -3.743 1.00 0.00 C ATOM 1232 O PHE A 90 2.387 -3.126 -4.295 1.00 0.00 O ATOM 1233 CB PHE A 90 0.411 -5.257 -4.546 1.00 0.00 C ATOM 1234 CG PHE A 90 -0.260 -6.323 -5.362 1.00 0.00 C ATOM 1235 CD1 PHE A 90 -0.795 -7.450 -4.757 1.00 0.00 C ATOM 1236 CD2 PHE A 90 -0.360 -6.193 -6.736 1.00 0.00 C ATOM 1237 CE1 PHE A 90 -1.414 -8.427 -5.511 1.00 0.00 C ATOM 1238 CE2 PHE A 90 -0.976 -7.166 -7.494 1.00 0.00 C ATOM 1239 CZ PHE A 90 -1.505 -8.285 -6.881 1.00 0.00 C ATOM 0 H PHE A 90 1.375 -6.890 -2.902 1.00 0.00 H new ATOM 0 HA PHE A 90 2.393 -5.655 -5.305 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -0.072 -5.204 -3.570 1.00 0.00 H new ATOM 0 HB3 PHE A 90 0.257 -4.293 -5.031 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -0.727 -7.565 -3.685 1.00 0.00 H new ATOM 0 HD2 PHE A 90 0.049 -5.319 -7.220 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -1.827 -9.301 -5.029 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -1.045 -7.053 -8.566 1.00 0.00 H new ATOM 0 HZ PHE A 90 -1.989 -9.048 -7.473 1.00 0.00 H new ATOM 1249 N SER A 91 3.262 -4.370 -2.636 1.00 0.00 N ATOM 1250 CA SER A 91 3.872 -3.235 -1.940 1.00 0.00 C ATOM 1251 C SER A 91 4.697 -2.333 -2.866 1.00 0.00 C ATOM 1252 O SER A 91 4.646 -1.124 -2.739 1.00 0.00 O ATOM 1253 CB SER A 91 4.731 -3.713 -0.775 1.00 0.00 C ATOM 1254 OG SER A 91 3.943 -4.337 0.214 1.00 0.00 O ATOM 0 H SER A 91 3.441 -5.274 -2.198 1.00 0.00 H new ATOM 0 HA SER A 91 3.047 -2.632 -1.561 1.00 0.00 H new ATOM 0 HB2 SER A 91 5.485 -4.411 -1.138 1.00 0.00 H new ATOM 0 HB3 SER A 91 5.263 -2.867 -0.340 1.00 0.00 H new ATOM 0 HG SER A 91 3.825 -5.284 -0.011 1.00 0.00 H new ATOM 1260 N SER A 92 5.437 -2.916 -3.795 1.00 0.00 N ATOM 1261 CA SER A 92 6.264 -2.117 -4.700 1.00 0.00 C ATOM 1262 C SER A 92 5.437 -1.115 -5.506 1.00 0.00 C ATOM 1263 O SER A 92 5.817 0.052 -5.638 1.00 0.00 O ATOM 1264 CB SER A 92 7.059 -3.006 -5.647 1.00 0.00 C ATOM 1265 OG SER A 92 7.960 -3.832 -4.938 1.00 0.00 O ATOM 0 H SER A 92 5.486 -3.924 -3.946 1.00 0.00 H new ATOM 0 HA SER A 92 6.955 -1.555 -4.072 1.00 0.00 H new ATOM 0 HB2 SER A 92 6.376 -3.625 -6.229 1.00 0.00 H new ATOM 0 HB3 SER A 92 7.610 -2.387 -6.355 1.00 0.00 H new ATOM 0 HG SER A 92 8.158 -4.631 -5.469 1.00 0.00 H new ATOM 1271 N ALA A 93 4.319 -1.570 -6.035 1.00 0.00 N ATOM 1272 CA ALA A 93 3.476 -0.728 -6.857 1.00 0.00 C ATOM 1273 C ALA A 93 2.547 0.139 -6.011 1.00 0.00 C ATOM 1274 O ALA A 93 2.190 1.232 -6.409 1.00 0.00 O ATOM 1275 CB ALA A 93 2.668 -1.577 -7.828 1.00 0.00 C ATOM 0 H ALA A 93 3.973 -2.521 -5.909 1.00 0.00 H new ATOM 0 HA ALA A 93 4.126 -0.061 -7.422 1.00 0.00 H new ATOM 0 HB1 ALA A 93 2.039 -0.931 -8.440 1.00 0.00 H new ATOM 0 HB2 ALA A 93 3.346 -2.138 -8.471 1.00 0.00 H new ATOM 0 HB3 ALA A 93 2.040 -2.271 -7.269 1.00 0.00 H new ATOM 1281 N LEU A 94 2.153 -0.371 -4.850 1.00 0.00 N ATOM 1282 CA LEU A 94 1.210 0.331 -3.983 1.00 0.00 C ATOM 1283 C LEU A 94 1.883 1.355 -3.075 1.00 0.00 C ATOM 1284 O LEU A 94 1.253 2.309 -2.643 1.00 0.00 O ATOM 1285 CB LEU A 94 0.419 -0.656 -3.138 1.00 0.00 C ATOM 1286 CG LEU A 94 -0.309 -1.753 -3.901 1.00 0.00 C ATOM 1287 CD1 LEU A 94 -1.207 -2.539 -2.969 1.00 0.00 C ATOM 1288 CD2 LEU A 94 -1.095 -1.174 -5.063 1.00 0.00 C ATOM 0 H LEU A 94 2.471 -1.269 -4.486 1.00 0.00 H new ATOM 0 HA LEU A 94 0.537 0.875 -4.645 1.00 0.00 H new ATOM 0 HB2 LEU A 94 1.101 -1.125 -2.429 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -0.314 -0.099 -2.554 1.00 0.00 H new ATOM 0 HG LEU A 94 0.433 -2.437 -4.313 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -1.720 -3.320 -3.531 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -0.606 -2.994 -2.182 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -1.943 -1.870 -2.522 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -1.606 -1.978 -5.593 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -1.830 -0.462 -4.687 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -0.414 -0.665 -5.745 1.00 0.00 H new ATOM 1300 N PHE A 95 3.127 1.113 -2.725 1.00 0.00 N ATOM 1301 CA PHE A 95 3.862 2.035 -1.870 1.00 0.00 C ATOM 1302 C PHE A 95 4.536 3.119 -2.708 1.00 0.00 C ATOM 1303 O PHE A 95 4.712 4.245 -2.254 1.00 0.00 O ATOM 1304 CB PHE A 95 4.896 1.268 -1.021 1.00 0.00 C ATOM 1305 CG PHE A 95 5.605 2.097 0.015 1.00 0.00 C ATOM 1306 CD1 PHE A 95 5.018 2.343 1.248 1.00 0.00 C ATOM 1307 CD2 PHE A 95 6.863 2.615 -0.239 1.00 0.00 C ATOM 1308 CE1 PHE A 95 5.673 3.094 2.207 1.00 0.00 C ATOM 1309 CE2 PHE A 95 7.523 3.369 0.713 1.00 0.00 C ATOM 1310 CZ PHE A 95 6.927 3.609 1.939 1.00 0.00 C ATOM 0 H PHE A 95 3.655 0.290 -3.015 1.00 0.00 H new ATOM 0 HA PHE A 95 3.160 2.521 -1.193 1.00 0.00 H new ATOM 0 HB2 PHE A 95 4.392 0.441 -0.521 1.00 0.00 H new ATOM 0 HB3 PHE A 95 5.640 0.832 -1.688 1.00 0.00 H new ATOM 0 HD1 PHE A 95 4.038 1.943 1.461 1.00 0.00 H new ATOM 0 HD2 PHE A 95 7.335 2.428 -1.192 1.00 0.00 H new ATOM 0 HE1 PHE A 95 5.206 3.278 3.163 1.00 0.00 H new ATOM 0 HE2 PHE A 95 8.503 3.771 0.500 1.00 0.00 H new ATOM 0 HZ PHE A 95 7.441 4.198 2.685 1.00 0.00 H new ATOM 1320 N ASN A 96 4.886 2.754 -3.949 1.00 0.00 N ATOM 1321 CA ASN A 96 5.595 3.642 -4.880 1.00 0.00 C ATOM 1322 C ASN A 96 6.832 4.244 -4.227 1.00 0.00 C ATOM 1323 O ASN A 96 6.889 5.436 -3.944 1.00 0.00 O ATOM 1324 CB ASN A 96 4.683 4.748 -5.459 1.00 0.00 C ATOM 1325 CG ASN A 96 3.533 4.200 -6.277 1.00 0.00 C ATOM 1326 OD1 ASN A 96 2.442 4.005 -5.773 1.00 0.00 O ATOM 1327 ND2 ASN A 96 3.773 3.961 -7.555 1.00 0.00 N ATOM 0 H ASN A 96 4.685 1.832 -4.336 1.00 0.00 H new ATOM 0 HA ASN A 96 5.913 3.024 -5.720 1.00 0.00 H new ATOM 0 HB2 ASN A 96 4.286 5.349 -4.641 1.00 0.00 H new ATOM 0 HB3 ASN A 96 5.280 5.414 -6.082 1.00 0.00 H new ATOM 0 HD21 ASN A 96 3.031 3.601 -8.155 1.00 0.00 H new ATOM 0 HD22 ASN A 96 4.700 4.137 -7.941 1.00 0.00 H new ATOM 1334 N ALA A 97 7.824 3.395 -3.990 1.00 0.00 N ATOM 1335 CA ALA A 97 9.064 3.807 -3.336 1.00 0.00 C ATOM 1336 C ALA A 97 9.944 4.654 -4.255 1.00 0.00 C ATOM 1337 O ALA A 97 10.951 5.204 -3.823 1.00 0.00 O ATOM 1338 CB ALA A 97 9.831 2.587 -2.852 1.00 0.00 C ATOM 0 H ALA A 97 7.795 2.407 -4.243 1.00 0.00 H new ATOM 0 HA ALA A 97 8.793 4.427 -2.482 1.00 0.00 H new ATOM 0 HB1 ALA A 97 10.753 2.906 -2.366 1.00 0.00 H new ATOM 0 HB2 ALA A 97 9.220 2.031 -2.141 1.00 0.00 H new ATOM 0 HB3 ALA A 97 10.071 1.947 -3.701 1.00 0.00 H new ATOM 1344 N GLY A 98 9.565 4.743 -5.522 1.00 0.00 N ATOM 1345 CA GLY A 98 10.334 5.532 -6.472 1.00 0.00 C ATOM 1346 C GLY A 98 11.437 4.736 -7.136 1.00 0.00 C ATOM 1347 O GLY A 98 12.093 5.218 -8.057 1.00 0.00 O ATOM 0 H GLY A 98 8.741 4.285 -5.912 1.00 0.00 H new ATOM 0 HA2 GLY A 98 9.665 5.925 -7.237 1.00 0.00 H new ATOM 0 HA3 GLY A 98 10.769 6.389 -5.958 1.00 0.00 H new ATOM 1351 N VAL A 99 11.637 3.514 -6.675 1.00 0.00 N ATOM 1352 CA VAL A 99 12.672 2.644 -7.227 1.00 0.00 C ATOM 1353 C VAL A 99 12.171 2.002 -8.516 1.00 0.00 C ATOM 1354 O VAL A 99 12.948 1.548 -9.350 1.00 0.00 O ATOM 1355 CB VAL A 99 13.062 1.528 -6.222 1.00 0.00 C ATOM 1356 CG1 VAL A 99 14.293 0.765 -6.694 1.00 0.00 C ATOM 1357 CG2 VAL A 99 13.286 2.105 -4.831 1.00 0.00 C ATOM 0 H VAL A 99 11.097 3.096 -5.917 1.00 0.00 H new ATOM 0 HA VAL A 99 13.552 3.254 -7.429 1.00 0.00 H new ATOM 0 HB VAL A 99 12.232 0.824 -6.170 1.00 0.00 H new ATOM 0 HG11 VAL A 99 14.541 -0.010 -5.969 1.00 0.00 H new ATOM 0 HG12 VAL A 99 14.087 0.305 -7.661 1.00 0.00 H new ATOM 0 HG13 VAL A 99 15.133 1.453 -6.791 1.00 0.00 H new ATOM 0 HG21 VAL A 99 13.558 1.304 -4.144 1.00 0.00 H new ATOM 0 HG22 VAL A 99 14.090 2.841 -4.867 1.00 0.00 H new ATOM 0 HG23 VAL A 99 12.371 2.585 -4.484 1.00 0.00 H new ATOM 1367 N LEU A 100 10.864 2.005 -8.672 1.00 0.00 N ATOM 1368 CA LEU A 100 10.220 1.389 -9.813 1.00 0.00 C ATOM 1369 C LEU A 100 10.154 2.327 -11.000 1.00 0.00 C ATOM 1370 O LEU A 100 10.528 3.492 -10.903 1.00 0.00 O ATOM 1371 CB LEU A 100 8.807 0.876 -9.454 1.00 0.00 C ATOM 1372 CG LEU A 100 7.746 1.910 -9.057 1.00 0.00 C ATOM 1373 CD1 LEU A 100 6.379 1.263 -9.091 1.00 0.00 C ATOM 1374 CD2 LEU A 100 8.009 2.474 -7.670 1.00 0.00 C ATOM 0 H LEU A 100 10.217 2.435 -8.011 1.00 0.00 H new ATOM 0 HA LEU A 100 10.835 0.535 -10.096 1.00 0.00 H new ATOM 0 HB2 LEU A 100 8.426 0.319 -10.310 1.00 0.00 H new ATOM 0 HB3 LEU A 100 8.908 0.168 -8.632 1.00 0.00 H new ATOM 0 HG LEU A 100 7.790 2.734 -9.769 1.00 0.00 H new ATOM 0 HD11 LEU A 100 5.623 1.996 -8.809 1.00 0.00 H new ATOM 0 HD12 LEU A 100 6.174 0.898 -10.098 1.00 0.00 H new ATOM 0 HD13 LEU A 100 6.354 0.428 -8.391 1.00 0.00 H new ATOM 0 HD21 LEU A 100 7.238 3.203 -7.422 1.00 0.00 H new ATOM 0 HD22 LEU A 100 7.993 1.665 -6.939 1.00 0.00 H new ATOM 0 HD23 LEU A 100 8.985 2.958 -7.653 1.00 0.00 H new ATOM 1386 N ASN A 101 9.676 1.806 -12.114 1.00 0.00 N ATOM 1387 CA ASN A 101 9.562 2.568 -13.343 1.00 0.00 C ATOM 1388 C ASN A 101 8.284 3.388 -13.360 1.00 0.00 C ATOM 1389 O ASN A 101 7.238 2.948 -12.871 1.00 0.00 O ATOM 1390 CB ASN A 101 9.604 1.641 -14.571 1.00 0.00 C ATOM 1391 CG ASN A 101 8.533 0.551 -14.544 1.00 0.00 C ATOM 1392 OD1 ASN A 101 8.185 0.021 -13.488 1.00 0.00 O ATOM 1393 ND2 ASN A 101 7.986 0.231 -15.700 1.00 0.00 N ATOM 0 H ASN A 101 9.355 0.841 -12.192 1.00 0.00 H new ATOM 0 HA ASN A 101 10.413 3.248 -13.387 1.00 0.00 H new ATOM 0 HB2 ASN A 101 9.480 2.240 -15.474 1.00 0.00 H new ATOM 0 HB3 ASN A 101 10.587 1.173 -14.631 1.00 0.00 H new ATOM 0 HD21 ASN A 101 7.251 -0.475 -15.738 1.00 0.00 H new ATOM 0 HD22 ASN A 101 8.298 0.690 -16.556 1.00 0.00 H new ATOM 1400 N ALA A 102 8.366 4.573 -13.933 1.00 0.00 N ATOM 1401 CA ALA A 102 7.221 5.460 -14.011 1.00 0.00 C ATOM 1402 C ALA A 102 6.328 5.088 -15.185 1.00 0.00 C ATOM 1403 O ALA A 102 5.153 5.439 -15.215 1.00 0.00 O ATOM 1404 CB ALA A 102 7.677 6.903 -14.125 1.00 0.00 C ATOM 0 H ALA A 102 9.218 4.945 -14.353 1.00 0.00 H new ATOM 0 HA ALA A 102 6.640 5.351 -13.095 1.00 0.00 H new ATOM 0 HB1 ALA A 102 6.806 7.556 -14.183 1.00 0.00 H new ATOM 0 HB2 ALA A 102 8.271 7.167 -13.250 1.00 0.00 H new ATOM 0 HB3 ALA A 102 8.281 7.024 -15.024 1.00 0.00 H new ATOM 1410 N SER A 103 6.884 4.339 -16.132 1.00 0.00 N ATOM 1411 CA SER A 103 6.151 3.933 -17.317 1.00 0.00 C ATOM 1412 C SER A 103 5.051 2.964 -16.934 1.00 0.00 C ATOM 1413 O SER A 103 4.001 2.911 -17.558 1.00 0.00 O ATOM 1414 CB SER A 103 7.106 3.289 -18.319 1.00 0.00 C ATOM 1415 OG SER A 103 7.921 2.315 -17.682 1.00 0.00 O ATOM 0 H SER A 103 7.846 4.001 -16.097 1.00 0.00 H new ATOM 0 HA SER A 103 5.697 4.809 -17.780 1.00 0.00 H new ATOM 0 HB2 SER A 103 6.537 2.824 -19.124 1.00 0.00 H new ATOM 0 HB3 SER A 103 7.734 4.055 -18.774 1.00 0.00 H new ATOM 0 HG SER A 103 8.525 1.912 -18.341 1.00 0.00 H new ATOM 1421 N ASN A 104 5.308 2.217 -15.884 1.00 0.00 N ATOM 1422 CA ASN A 104 4.364 1.259 -15.347 1.00 0.00 C ATOM 1423 C ASN A 104 3.104 1.979 -14.856 1.00 0.00 C ATOM 1424 O ASN A 104 1.985 1.644 -15.236 1.00 0.00 O ATOM 1425 CB ASN A 104 5.055 0.501 -14.206 1.00 0.00 C ATOM 1426 CG ASN A 104 4.148 -0.396 -13.385 1.00 0.00 C ATOM 1427 OD1 ASN A 104 3.150 -0.915 -13.864 1.00 0.00 O ATOM 1428 ND2 ASN A 104 4.521 -0.600 -12.140 1.00 0.00 N ATOM 0 H ASN A 104 6.189 2.257 -15.372 1.00 0.00 H new ATOM 0 HA ASN A 104 4.054 0.552 -16.116 1.00 0.00 H new ATOM 0 HB2 ASN A 104 5.856 -0.107 -14.627 1.00 0.00 H new ATOM 0 HB3 ASN A 104 5.522 1.226 -13.540 1.00 0.00 H new ATOM 0 HD21 ASN A 104 3.970 -1.210 -11.536 1.00 0.00 H new ATOM 0 HD22 ASN A 104 5.361 -0.148 -11.779 1.00 0.00 H new ATOM 1435 N ILE A 105 3.302 2.999 -14.058 1.00 0.00 N ATOM 1436 CA ILE A 105 2.196 3.763 -13.500 1.00 0.00 C ATOM 1437 C ILE A 105 1.547 4.621 -14.580 1.00 0.00 C ATOM 1438 O ILE A 105 0.343 4.899 -14.540 1.00 0.00 O ATOM 1439 CB ILE A 105 2.663 4.625 -12.269 1.00 0.00 C ATOM 1440 CG1 ILE A 105 2.922 3.735 -11.036 1.00 0.00 C ATOM 1441 CG2 ILE A 105 1.660 5.714 -11.915 1.00 0.00 C ATOM 1442 CD1 ILE A 105 4.026 2.716 -11.209 1.00 0.00 C ATOM 0 H ILE A 105 4.225 3.327 -13.774 1.00 0.00 H new ATOM 0 HA ILE A 105 1.444 3.065 -13.131 1.00 0.00 H new ATOM 0 HB ILE A 105 3.594 5.109 -12.564 1.00 0.00 H new ATOM 0 HG12 ILE A 105 3.167 4.375 -10.189 1.00 0.00 H new ATOM 0 HG13 ILE A 105 2.000 3.211 -10.783 1.00 0.00 H new ATOM 0 HG21 ILE A 105 2.026 6.282 -11.060 1.00 0.00 H new ATOM 0 HG22 ILE A 105 1.533 6.382 -12.767 1.00 0.00 H new ATOM 0 HG23 ILE A 105 0.702 5.259 -11.665 1.00 0.00 H new ATOM 0 HD11 ILE A 105 4.135 2.138 -10.291 1.00 0.00 H new ATOM 0 HD12 ILE A 105 3.777 2.046 -12.032 1.00 0.00 H new ATOM 0 HD13 ILE A 105 4.963 3.228 -11.428 1.00 0.00 H new ATOM 1454 N ASP A 106 2.339 4.989 -15.559 1.00 0.00 N ATOM 1455 CA ASP A 106 1.868 5.767 -16.691 1.00 0.00 C ATOM 1456 C ASP A 106 1.002 4.910 -17.621 1.00 0.00 C ATOM 1457 O ASP A 106 0.042 5.394 -18.208 1.00 0.00 O ATOM 1458 CB ASP A 106 3.066 6.319 -17.465 1.00 0.00 C ATOM 1459 CG ASP A 106 2.671 7.154 -18.659 1.00 0.00 C ATOM 1460 OD1 ASP A 106 2.482 6.585 -19.758 1.00 0.00 O ATOM 1461 OD2 ASP A 106 2.564 8.389 -18.514 1.00 0.00 O ATOM 0 H ASP A 106 3.332 4.759 -15.597 1.00 0.00 H new ATOM 0 HA ASP A 106 1.259 6.590 -16.317 1.00 0.00 H new ATOM 0 HB2 ASP A 106 3.677 6.923 -16.794 1.00 0.00 H new ATOM 0 HB3 ASP A 106 3.687 5.489 -17.800 1.00 0.00 H new ATOM 1466 N THR A 107 1.340 3.628 -17.721 1.00 0.00 N ATOM 1467 CA THR A 107 0.656 2.717 -18.633 1.00 0.00 C ATOM 1468 C THR A 107 -0.613 2.102 -18.030 1.00 0.00 C ATOM 1469 O THR A 107 -1.618 1.959 -18.719 1.00 0.00 O ATOM 1470 CB THR A 107 1.603 1.595 -19.111 1.00 0.00 C ATOM 1471 OG1 THR A 107 2.744 2.178 -19.758 1.00 0.00 O ATOM 1472 CG2 THR A 107 0.899 0.651 -20.080 1.00 0.00 C ATOM 0 H THR A 107 2.087 3.195 -17.179 1.00 0.00 H new ATOM 0 HA THR A 107 0.350 3.323 -19.486 1.00 0.00 H new ATOM 0 HB THR A 107 1.917 1.019 -18.240 1.00 0.00 H new ATOM 0 HG1 THR A 107 3.443 2.353 -19.094 1.00 0.00 H new ATOM 0 HG21 THR A 107 1.592 -0.128 -20.398 1.00 0.00 H new ATOM 0 HG22 THR A 107 0.042 0.194 -19.585 1.00 0.00 H new ATOM 0 HG23 THR A 107 0.558 1.211 -20.951 1.00 0.00 H new ATOM 1480 N LEU A 108 -0.579 1.731 -16.761 1.00 0.00 N ATOM 1481 CA LEU A 108 -1.764 1.125 -16.160 1.00 0.00 C ATOM 1482 C LEU A 108 -2.014 1.602 -14.738 1.00 0.00 C ATOM 1483 O LEU A 108 -3.150 1.618 -14.289 1.00 0.00 O ATOM 1484 CB LEU A 108 -1.688 -0.409 -16.184 1.00 0.00 C ATOM 1485 CG LEU A 108 -0.680 -1.054 -15.227 1.00 0.00 C ATOM 1486 CD1 LEU A 108 -1.074 -2.487 -14.937 1.00 0.00 C ATOM 1487 CD2 LEU A 108 0.720 -1.008 -15.813 1.00 0.00 C ATOM 0 H LEU A 108 0.225 1.832 -16.141 1.00 0.00 H new ATOM 0 HA LEU A 108 -2.604 1.451 -16.773 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -2.678 -0.804 -15.955 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -1.446 -0.724 -17.199 1.00 0.00 H new ATOM 0 HG LEU A 108 -0.685 -0.490 -14.294 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -0.349 -2.933 -14.256 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -2.063 -2.507 -14.479 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -1.094 -3.054 -15.868 1.00 0.00 H new ATOM 0 HD21 LEU A 108 1.421 -1.471 -15.118 1.00 0.00 H new ATOM 0 HD22 LEU A 108 0.736 -1.549 -16.759 1.00 0.00 H new ATOM 0 HD23 LEU A 108 1.009 0.029 -15.983 1.00 0.00 H new ATOM 1499 N GLY A 109 -0.958 1.993 -14.041 1.00 0.00 N ATOM 1500 CA GLY A 109 -1.090 2.411 -12.649 1.00 0.00 C ATOM 1501 C GLY A 109 -2.174 3.453 -12.411 1.00 0.00 C ATOM 1502 O GLY A 109 -3.155 3.184 -11.726 1.00 0.00 O ATOM 0 H GLY A 109 -0.008 2.031 -14.410 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -1.303 1.535 -12.037 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -0.135 2.812 -12.310 1.00 0.00 H new ATOM 1506 N SER A 110 -2.010 4.625 -12.983 1.00 0.00 N ATOM 1507 CA SER A 110 -2.968 5.706 -12.780 1.00 0.00 C ATOM 1508 C SER A 110 -4.252 5.488 -13.580 1.00 0.00 C ATOM 1509 O SER A 110 -5.280 6.095 -13.300 1.00 0.00 O ATOM 1510 CB SER A 110 -2.338 7.045 -13.156 1.00 0.00 C ATOM 1511 OG SER A 110 -1.194 7.310 -12.361 1.00 0.00 O ATOM 0 H SER A 110 -1.227 4.860 -13.592 1.00 0.00 H new ATOM 0 HA SER A 110 -3.235 5.714 -11.723 1.00 0.00 H new ATOM 0 HB2 SER A 110 -2.059 7.036 -14.210 1.00 0.00 H new ATOM 0 HB3 SER A 110 -3.068 7.844 -13.026 1.00 0.00 H new ATOM 0 HG SER A 110 -0.807 8.172 -12.622 1.00 0.00 H new ATOM 1517 N ARG A 111 -4.187 4.612 -14.556 1.00 0.00 N ATOM 1518 CA ARG A 111 -5.316 4.368 -15.436 1.00 0.00 C ATOM 1519 C ARG A 111 -6.263 3.310 -14.875 1.00 0.00 C ATOM 1520 O ARG A 111 -7.442 3.572 -14.663 1.00 0.00 O ATOM 1521 CB ARG A 111 -4.812 3.939 -16.805 1.00 0.00 C ATOM 1522 CG ARG A 111 -3.954 4.982 -17.496 1.00 0.00 C ATOM 1523 CD ARG A 111 -3.243 4.381 -18.682 1.00 0.00 C ATOM 1524 NE ARG A 111 -2.529 5.373 -19.482 1.00 0.00 N ATOM 1525 CZ ARG A 111 -2.285 5.240 -20.793 1.00 0.00 C ATOM 1526 NH1 ARG A 111 -2.774 4.199 -21.464 1.00 0.00 N ATOM 1527 NH2 ARG A 111 -1.561 6.150 -21.433 1.00 0.00 N ATOM 0 H ARG A 111 -3.361 4.051 -14.765 1.00 0.00 H new ATOM 0 HA ARG A 111 -5.879 5.298 -15.520 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -4.235 3.020 -16.698 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -5.667 3.706 -17.440 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -4.576 5.815 -17.822 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -3.225 5.385 -16.793 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -2.537 3.628 -18.332 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -3.969 3.868 -19.313 1.00 0.00 H new ATOM 0 HE ARG A 111 -2.197 6.217 -19.015 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -3.337 3.499 -20.980 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -2.586 4.101 -22.462 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -1.189 6.953 -20.927 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -1.377 6.046 -22.431 1.00 0.00 H new ATOM 1541 N VAL A 112 -5.734 2.127 -14.628 1.00 0.00 N ATOM 1542 CA VAL A 112 -6.541 1.002 -14.179 1.00 0.00 C ATOM 1543 C VAL A 112 -6.841 1.089 -12.691 1.00 0.00 C ATOM 1544 O VAL A 112 -7.983 0.975 -12.283 1.00 0.00 O ATOM 1545 CB VAL A 112 -5.848 -0.347 -14.487 1.00 0.00 C ATOM 1546 CG1 VAL A 112 -6.740 -1.518 -14.102 1.00 0.00 C ATOM 1547 CG2 VAL A 112 -5.465 -0.427 -15.957 1.00 0.00 C ATOM 0 H VAL A 112 -4.741 1.917 -14.731 1.00 0.00 H new ATOM 0 HA VAL A 112 -7.481 1.051 -14.729 1.00 0.00 H new ATOM 0 HB VAL A 112 -4.938 -0.405 -13.889 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -6.230 -2.454 -14.329 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -6.959 -1.473 -13.035 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -7.671 -1.467 -14.666 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -4.979 -1.382 -16.155 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -6.361 -0.342 -16.572 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -4.780 0.386 -16.199 1.00 0.00 H new ATOM 1557 N LEU A 113 -5.804 1.317 -11.890 1.00 0.00 N ATOM 1558 CA LEU A 113 -5.952 1.379 -10.432 1.00 0.00 C ATOM 1559 C LEU A 113 -6.699 2.653 -10.020 1.00 0.00 C ATOM 1560 O LEU A 113 -7.129 2.798 -8.869 1.00 0.00 O ATOM 1561 CB LEU A 113 -4.576 1.311 -9.759 1.00 0.00 C ATOM 1562 CG LEU A 113 -3.627 0.228 -10.306 1.00 0.00 C ATOM 1563 CD1 LEU A 113 -2.293 0.259 -9.584 1.00 0.00 C ATOM 1564 CD2 LEU A 113 -4.249 -1.148 -10.202 1.00 0.00 C ATOM 0 H LEU A 113 -4.851 1.462 -12.222 1.00 0.00 H new ATOM 0 HA LEU A 113 -6.540 0.523 -10.102 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -4.091 2.282 -9.863 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -4.720 1.139 -8.692 1.00 0.00 H new ATOM 0 HG LEU A 113 -3.454 0.445 -11.360 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -1.642 -0.515 -9.989 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -1.827 1.234 -9.723 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -2.451 0.080 -8.520 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -3.556 -1.891 -10.596 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -4.466 -1.371 -9.157 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -5.174 -1.174 -10.778 1.00 0.00 H new ATOM 1576 N SER A 114 -6.811 3.573 -10.977 1.00 0.00 N ATOM 1577 CA SER A 114 -7.560 4.817 -10.839 1.00 0.00 C ATOM 1578 C SER A 114 -7.255 5.583 -9.531 1.00 0.00 C ATOM 1579 O SER A 114 -6.189 6.199 -9.386 1.00 0.00 O ATOM 1580 CB SER A 114 -9.077 4.542 -10.993 1.00 0.00 C ATOM 1581 OG SER A 114 -9.841 5.743 -10.930 1.00 0.00 O ATOM 0 H SER A 114 -6.372 3.469 -11.892 1.00 0.00 H new ATOM 0 HA SER A 114 -7.230 5.476 -11.642 1.00 0.00 H new ATOM 0 HB2 SER A 114 -9.261 4.043 -11.945 1.00 0.00 H new ATOM 0 HB3 SER A 114 -9.405 3.861 -10.208 1.00 0.00 H new ATOM 0 HG SER A 114 -10.792 5.531 -11.032 1.00 0.00 H new ATOM 1587 N ALA A 115 -8.178 5.507 -8.583 1.00 0.00 N ATOM 1588 CA ALA A 115 -8.101 6.266 -7.342 1.00 0.00 C ATOM 1589 C ALA A 115 -6.939 5.847 -6.468 1.00 0.00 C ATOM 1590 O ALA A 115 -6.336 6.683 -5.788 1.00 0.00 O ATOM 1591 CB ALA A 115 -9.396 6.117 -6.569 1.00 0.00 C ATOM 0 H ALA A 115 -9.005 4.915 -8.653 1.00 0.00 H new ATOM 0 HA ALA A 115 -7.939 7.308 -7.616 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -9.334 6.686 -5.642 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -10.224 6.492 -7.170 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -9.563 5.065 -6.338 1.00 0.00 H new ATOM 1597 N LEU A 116 -6.612 4.568 -6.501 1.00 0.00 N ATOM 1598 CA LEU A 116 -5.598 4.014 -5.624 1.00 0.00 C ATOM 1599 C LEU A 116 -4.274 4.765 -5.715 1.00 0.00 C ATOM 1600 O LEU A 116 -3.844 5.381 -4.742 1.00 0.00 O ATOM 1601 CB LEU A 116 -5.392 2.524 -5.901 1.00 0.00 C ATOM 1602 CG LEU A 116 -4.430 1.802 -4.953 1.00 0.00 C ATOM 1603 CD1 LEU A 116 -4.878 1.961 -3.508 1.00 0.00 C ATOM 1604 CD2 LEU A 116 -4.337 0.333 -5.315 1.00 0.00 C ATOM 0 H LEU A 116 -7.038 3.889 -7.131 1.00 0.00 H new ATOM 0 HA LEU A 116 -5.965 4.134 -4.605 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -6.361 2.027 -5.855 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -5.023 2.410 -6.920 1.00 0.00 H new ATOM 0 HG LEU A 116 -3.443 2.253 -5.059 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -4.181 1.441 -2.852 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -4.900 3.019 -3.248 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -5.875 1.537 -3.387 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -3.650 -0.167 -4.633 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -5.323 -0.124 -5.236 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -3.971 0.233 -6.337 1.00 0.00 H new ATOM 1616 N LEU A 117 -3.651 4.755 -6.883 1.00 0.00 N ATOM 1617 CA LEU A 117 -2.337 5.377 -7.030 1.00 0.00 C ATOM 1618 C LEU A 117 -2.380 6.892 -6.922 1.00 0.00 C ATOM 1619 O LEU A 117 -1.376 7.517 -6.589 1.00 0.00 O ATOM 1620 CB LEU A 117 -1.643 4.943 -8.312 1.00 0.00 C ATOM 1621 CG LEU A 117 -1.197 3.481 -8.356 1.00 0.00 C ATOM 1622 CD1 LEU A 117 -0.231 3.264 -9.496 1.00 0.00 C ATOM 1623 CD2 LEU A 117 -0.567 3.062 -7.033 1.00 0.00 C ATOM 0 H LEU A 117 -4.023 4.331 -7.733 1.00 0.00 H new ATOM 0 HA LEU A 117 -1.746 5.018 -6.188 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -2.317 5.124 -9.149 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -0.769 5.576 -8.464 1.00 0.00 H new ATOM 0 HG LEU A 117 -2.077 2.860 -8.520 1.00 0.00 H new ATOM 0 HD11 LEU A 117 0.079 2.219 -9.516 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -0.717 3.517 -10.438 1.00 0.00 H new ATOM 0 HD13 LEU A 117 0.644 3.899 -9.358 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -0.259 2.018 -7.091 1.00 0.00 H new ATOM 0 HD22 LEU A 117 0.303 3.687 -6.830 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -1.294 3.181 -6.230 1.00 0.00 H new ATOM 1635 N ASN A 118 -3.528 7.486 -7.192 1.00 0.00 N ATOM 1636 CA ASN A 118 -3.658 8.932 -7.063 1.00 0.00 C ATOM 1637 C ASN A 118 -3.525 9.343 -5.605 1.00 0.00 C ATOM 1638 O ASN A 118 -2.780 10.260 -5.275 1.00 0.00 O ATOM 1639 CB ASN A 118 -4.980 9.436 -7.651 1.00 0.00 C ATOM 1640 CG ASN A 118 -4.896 9.681 -9.150 1.00 0.00 C ATOM 1641 OD1 ASN A 118 -4.527 10.770 -9.590 1.00 0.00 O ATOM 1642 ND2 ASN A 118 -5.243 8.683 -9.940 1.00 0.00 N ATOM 0 H ASN A 118 -4.373 7.003 -7.497 1.00 0.00 H new ATOM 0 HA ASN A 118 -2.852 9.393 -7.634 1.00 0.00 H new ATOM 0 HB2 ASN A 118 -5.765 8.707 -7.449 1.00 0.00 H new ATOM 0 HB3 ASN A 118 -5.267 10.361 -7.151 1.00 0.00 H new ATOM 0 HD21 ASN A 118 -5.211 8.799 -10.953 1.00 0.00 H new ATOM 0 HD22 ASN A 118 -5.544 7.795 -9.538 1.00 0.00 H new ATOM 1649 N GLY A 119 -4.224 8.635 -4.731 1.00 0.00 N ATOM 1650 CA GLY A 119 -4.137 8.926 -3.313 1.00 0.00 C ATOM 1651 C GLY A 119 -2.845 8.421 -2.712 1.00 0.00 C ATOM 1652 O GLY A 119 -2.369 8.943 -1.703 1.00 0.00 O ATOM 0 H GLY A 119 -4.848 7.866 -4.976 1.00 0.00 H new ATOM 0 HA2 GLY A 119 -4.213 10.002 -3.158 1.00 0.00 H new ATOM 0 HA3 GLY A 119 -4.981 8.469 -2.796 1.00 0.00 H new ATOM 1656 N VAL A 120 -2.290 7.381 -3.310 1.00 0.00 N ATOM 1657 CA VAL A 120 -1.018 6.835 -2.864 1.00 0.00 C ATOM 1658 C VAL A 120 0.112 7.821 -3.151 1.00 0.00 C ATOM 1659 O VAL A 120 1.042 7.964 -2.355 1.00 0.00 O ATOM 1660 CB VAL A 120 -0.708 5.481 -3.552 1.00 0.00 C ATOM 1661 CG1 VAL A 120 0.755 5.112 -3.388 1.00 0.00 C ATOM 1662 CG2 VAL A 120 -1.597 4.374 -2.986 1.00 0.00 C ATOM 0 H VAL A 120 -2.701 6.896 -4.108 1.00 0.00 H new ATOM 0 HA VAL A 120 -1.093 6.666 -1.790 1.00 0.00 H new ATOM 0 HB VAL A 120 -0.918 5.589 -4.616 1.00 0.00 H new ATOM 0 HG11 VAL A 120 0.947 4.158 -3.879 1.00 0.00 H new ATOM 0 HG12 VAL A 120 1.378 5.884 -3.839 1.00 0.00 H new ATOM 0 HG13 VAL A 120 0.992 5.028 -2.327 1.00 0.00 H new ATOM 0 HG21 VAL A 120 -1.364 3.431 -3.482 1.00 0.00 H new ATOM 0 HG22 VAL A 120 -1.418 4.275 -1.915 1.00 0.00 H new ATOM 0 HG23 VAL A 120 -2.644 4.625 -3.157 1.00 0.00 H new ATOM 1672 N SER A 121 0.004 8.509 -4.277 1.00 0.00 N ATOM 1673 CA SER A 121 1.001 9.476 -4.704 1.00 0.00 C ATOM 1674 C SER A 121 1.260 10.526 -3.624 1.00 0.00 C ATOM 1675 O SER A 121 2.398 10.903 -3.376 1.00 0.00 O ATOM 1676 CB SER A 121 0.550 10.152 -5.999 1.00 0.00 C ATOM 1677 OG SER A 121 1.558 10.997 -6.521 1.00 0.00 O ATOM 0 H SER A 121 -0.780 8.412 -4.922 1.00 0.00 H new ATOM 0 HA SER A 121 1.935 8.942 -4.881 1.00 0.00 H new ATOM 0 HB2 SER A 121 0.293 9.392 -6.737 1.00 0.00 H new ATOM 0 HB3 SER A 121 -0.353 10.733 -5.812 1.00 0.00 H new ATOM 0 HG SER A 121 1.240 11.413 -7.349 1.00 0.00 H new ATOM 1683 N SER A 122 0.205 10.983 -2.980 1.00 0.00 N ATOM 1684 CA SER A 122 0.330 11.987 -1.950 1.00 0.00 C ATOM 1685 C SER A 122 0.686 11.368 -0.594 1.00 0.00 C ATOM 1686 O SER A 122 1.628 11.801 0.073 1.00 0.00 O ATOM 1687 CB SER A 122 -0.969 12.783 -1.854 1.00 0.00 C ATOM 1688 OG SER A 122 -2.098 11.915 -1.865 1.00 0.00 O ATOM 0 H SER A 122 -0.751 10.672 -3.155 1.00 0.00 H new ATOM 0 HA SER A 122 1.147 12.656 -2.221 1.00 0.00 H new ATOM 0 HB2 SER A 122 -0.970 13.376 -0.940 1.00 0.00 H new ATOM 0 HB3 SER A 122 -1.034 13.482 -2.688 1.00 0.00 H new ATOM 0 HG SER A 122 -2.919 12.446 -1.801 1.00 0.00 H new ATOM 1694 N ALA A 123 -0.050 10.341 -0.208 1.00 0.00 N ATOM 1695 CA ALA A 123 0.134 9.716 1.094 1.00 0.00 C ATOM 1696 C ALA A 123 1.433 8.906 1.196 1.00 0.00 C ATOM 1697 O ALA A 123 2.274 9.183 2.047 1.00 0.00 O ATOM 1698 CB ALA A 123 -1.065 8.843 1.428 1.00 0.00 C ATOM 0 H ALA A 123 -0.783 9.920 -0.778 1.00 0.00 H new ATOM 0 HA ALA A 123 0.216 10.522 1.823 1.00 0.00 H new ATOM 0 HB1 ALA A 123 -0.917 8.380 2.404 1.00 0.00 H new ATOM 0 HB2 ALA A 123 -1.966 9.456 1.449 1.00 0.00 H new ATOM 0 HB3 ALA A 123 -1.172 8.067 0.671 1.00 0.00 H new ATOM 1704 N ALA A 124 1.594 7.919 0.329 1.00 0.00 N ATOM 1705 CA ALA A 124 2.745 7.016 0.399 1.00 0.00 C ATOM 1706 C ALA A 124 3.983 7.598 -0.251 1.00 0.00 C ATOM 1707 O ALA A 124 5.000 7.786 0.401 1.00 0.00 O ATOM 1708 CB ALA A 124 2.410 5.672 -0.232 1.00 0.00 C ATOM 0 H ALA A 124 0.946 7.718 -0.433 1.00 0.00 H new ATOM 0 HA ALA A 124 2.969 6.876 1.457 1.00 0.00 H new ATOM 0 HB1 ALA A 124 3.277 5.015 -0.170 1.00 0.00 H new ATOM 0 HB2 ALA A 124 1.573 5.219 0.299 1.00 0.00 H new ATOM 0 HB3 ALA A 124 2.139 5.818 -1.278 1.00 0.00 H new ATOM 1714 N GLN A 125 3.885 7.887 -1.527 1.00 0.00 N ATOM 1715 CA GLN A 125 5.021 8.369 -2.287 1.00 0.00 C ATOM 1716 C GLN A 125 5.425 9.787 -1.855 1.00 0.00 C ATOM 1717 O GLN A 125 6.614 10.120 -1.810 1.00 0.00 O ATOM 1718 CB GLN A 125 4.694 8.309 -3.792 1.00 0.00 C ATOM 1719 CG GLN A 125 5.898 8.507 -4.713 1.00 0.00 C ATOM 1720 CD GLN A 125 6.223 9.966 -4.965 1.00 0.00 C ATOM 1721 OE1 GLN A 125 5.332 10.816 -5.004 1.00 0.00 O ATOM 1722 NE2 GLN A 125 7.494 10.265 -5.136 1.00 0.00 N ATOM 0 H GLN A 125 3.024 7.797 -2.067 1.00 0.00 H new ATOM 0 HA GLN A 125 5.877 7.725 -2.087 1.00 0.00 H new ATOM 0 HB2 GLN A 125 4.239 7.344 -4.013 1.00 0.00 H new ATOM 0 HB3 GLN A 125 3.950 9.072 -4.019 1.00 0.00 H new ATOM 0 HG2 GLN A 125 6.768 8.018 -4.274 1.00 0.00 H new ATOM 0 HG3 GLN A 125 5.703 8.015 -5.666 1.00 0.00 H new ATOM 0 HE21 GLN A 125 8.201 9.530 -5.096 1.00 0.00 H new ATOM 0 HE22 GLN A 125 7.772 11.231 -5.308 1.00 0.00 H new ATOM 1731 N GLY A 126 4.440 10.597 -1.515 1.00 0.00 N ATOM 1732 CA GLY A 126 4.701 11.973 -1.146 1.00 0.00 C ATOM 1733 C GLY A 126 5.160 12.153 0.292 1.00 0.00 C ATOM 1734 O GLY A 126 6.325 12.472 0.541 1.00 0.00 O ATOM 0 H GLY A 126 3.457 10.327 -1.487 1.00 0.00 H new ATOM 0 HA2 GLY A 126 5.462 12.379 -1.813 1.00 0.00 H new ATOM 0 HA3 GLY A 126 3.795 12.558 -1.303 1.00 0.00 H new ATOM 1738 N LEU A 127 4.255 11.928 1.240 1.00 0.00 N ATOM 1739 CA LEU A 127 4.550 12.171 2.651 1.00 0.00 C ATOM 1740 C LEU A 127 5.189 10.961 3.294 1.00 0.00 C ATOM 1741 O LEU A 127 5.890 11.074 4.306 1.00 0.00 O ATOM 1742 CB LEU A 127 3.273 12.549 3.408 1.00 0.00 C ATOM 1743 CG LEU A 127 2.558 13.818 2.929 1.00 0.00 C ATOM 1744 CD1 LEU A 127 1.289 14.053 3.738 1.00 0.00 C ATOM 1745 CD2 LEU A 127 3.483 15.028 3.026 1.00 0.00 C ATOM 0 H LEU A 127 3.314 11.579 1.059 1.00 0.00 H new ATOM 0 HA LEU A 127 5.256 13.000 2.704 1.00 0.00 H new ATOM 0 HB2 LEU A 127 2.574 11.715 3.341 1.00 0.00 H new ATOM 0 HB3 LEU A 127 3.522 12.672 4.462 1.00 0.00 H new ATOM 0 HG LEU A 127 2.282 13.680 1.884 1.00 0.00 H new ATOM 0 HD11 LEU A 127 0.794 14.958 3.384 1.00 0.00 H new ATOM 0 HD12 LEU A 127 0.618 13.202 3.618 1.00 0.00 H new ATOM 0 HD13 LEU A 127 1.545 14.167 4.791 1.00 0.00 H new ATOM 0 HD21 LEU A 127 2.956 15.918 2.681 1.00 0.00 H new ATOM 0 HD22 LEU A 127 3.792 15.168 4.062 1.00 0.00 H new ATOM 0 HD23 LEU A 127 4.363 14.864 2.404 1.00 0.00 H new ATOM 1757 N GLY A 128 4.946 9.812 2.713 1.00 0.00 N ATOM 1758 CA GLY A 128 5.494 8.595 3.234 1.00 0.00 C ATOM 1759 C GLY A 128 4.672 8.047 4.375 1.00 0.00 C ATOM 1760 O GLY A 128 4.879 8.420 5.530 1.00 0.00 O ATOM 0 H GLY A 128 4.371 9.699 1.878 1.00 0.00 H new ATOM 0 HA2 GLY A 128 5.549 7.852 2.438 1.00 0.00 H new ATOM 0 HA3 GLY A 128 6.514 8.773 3.575 1.00 0.00 H new ATOM 1764 N ILE A 129 3.715 7.188 4.052 1.00 0.00 N ATOM 1765 CA ILE A 129 2.868 6.566 5.062 1.00 0.00 C ATOM 1766 C ILE A 129 3.700 5.767 6.050 1.00 0.00 C ATOM 1767 O ILE A 129 4.591 5.011 5.659 1.00 0.00 O ATOM 1768 CB ILE A 129 1.839 5.608 4.441 1.00 0.00 C ATOM 1769 CG1 ILE A 129 0.939 6.325 3.436 1.00 0.00 C ATOM 1770 CG2 ILE A 129 1.009 4.958 5.536 1.00 0.00 C ATOM 1771 CD1 ILE A 129 0.187 5.380 2.536 1.00 0.00 C ATOM 0 H ILE A 129 3.505 6.905 3.095 1.00 0.00 H new ATOM 0 HA ILE A 129 2.349 7.382 5.566 1.00 0.00 H new ATOM 0 HB ILE A 129 2.381 4.834 3.898 1.00 0.00 H new ATOM 0 HG12 ILE A 129 0.226 6.948 3.976 1.00 0.00 H new ATOM 0 HG13 ILE A 129 1.547 6.993 2.825 1.00 0.00 H new ATOM 0 HG21 ILE A 129 0.282 4.281 5.088 1.00 0.00 H new ATOM 0 HG22 ILE A 129 1.663 4.398 6.204 1.00 0.00 H new ATOM 0 HG23 ILE A 129 0.486 5.729 6.102 1.00 0.00 H new ATOM 0 HD11 ILE A 129 -0.434 5.951 1.846 1.00 0.00 H new ATOM 0 HD12 ILE A 129 0.896 4.775 1.971 1.00 0.00 H new ATOM 0 HD13 ILE A 129 -0.446 4.729 3.139 1.00 0.00 H new ATOM 1783 N ASN A 130 3.403 5.926 7.317 1.00 0.00 N ATOM 1784 CA ASN A 130 4.094 5.197 8.347 1.00 0.00 C ATOM 1785 C ASN A 130 3.117 4.743 9.414 1.00 0.00 C ATOM 1786 O ASN A 130 2.457 5.562 10.056 1.00 0.00 O ATOM 1787 CB ASN A 130 5.191 6.061 8.962 1.00 0.00 C ATOM 1788 CG ASN A 130 6.002 5.326 10.014 1.00 0.00 C ATOM 1789 OD1 ASN A 130 6.504 6.059 10.987 1.00 0.00 O flip ATOM 1790 ND2 ASN A 130 6.175 4.107 9.948 1.00 0.00 N flip ATOM 0 H ASN A 130 2.681 6.560 7.659 1.00 0.00 H new ATOM 0 HA ASN A 130 4.556 4.316 7.902 1.00 0.00 H new ATOM 0 HB2 ASN A 130 5.858 6.408 8.173 1.00 0.00 H new ATOM 0 HB3 ASN A 130 4.740 6.946 9.411 1.00 0.00 H new ATOM 0 HD21 ASN A 130 5.769 3.575 9.178 1.00 0.00 H new ATOM 0 HD22 ASN A 130 6.724 3.630 10.663 1.00 0.00 H new ATOM 1797 N VAL A 131 3.015 3.439 9.589 1.00 0.00 N ATOM 1798 CA VAL A 131 2.119 2.868 10.578 1.00 0.00 C ATOM 1799 C VAL A 131 2.678 3.101 11.986 1.00 0.00 C ATOM 1800 O VAL A 131 3.883 3.310 12.156 1.00 0.00 O ATOM 1801 CB VAL A 131 1.907 1.346 10.330 1.00 0.00 C ATOM 1802 CG1 VAL A 131 0.836 0.777 11.252 1.00 0.00 C ATOM 1803 CG2 VAL A 131 1.542 1.089 8.875 1.00 0.00 C ATOM 0 H VAL A 131 3.546 2.751 9.055 1.00 0.00 H new ATOM 0 HA VAL A 131 1.152 3.363 10.489 1.00 0.00 H new ATOM 0 HB VAL A 131 2.846 0.839 10.553 1.00 0.00 H new ATOM 0 HG11 VAL A 131 0.713 -0.288 11.053 1.00 0.00 H new ATOM 0 HG12 VAL A 131 1.136 0.920 12.290 1.00 0.00 H new ATOM 0 HG13 VAL A 131 -0.108 1.291 11.074 1.00 0.00 H new ATOM 0 HG21 VAL A 131 1.397 0.020 8.720 1.00 0.00 H new ATOM 0 HG22 VAL A 131 0.621 1.619 8.632 1.00 0.00 H new ATOM 0 HG23 VAL A 131 2.346 1.444 8.230 1.00 0.00 H new ATOM 1813 N ASP A 132 1.802 3.077 12.981 1.00 0.00 N ATOM 1814 CA ASP A 132 2.197 3.295 14.370 1.00 0.00 C ATOM 1815 C ASP A 132 3.124 2.167 14.834 1.00 0.00 C ATOM 1816 O ASP A 132 3.189 1.100 14.198 1.00 0.00 O ATOM 1817 CB ASP A 132 0.949 3.367 15.264 1.00 0.00 C ATOM 1818 CG ASP A 132 1.209 4.039 16.603 1.00 0.00 C ATOM 1819 OD1 ASP A 132 1.700 3.367 17.529 1.00 0.00 O ATOM 1820 OD2 ASP A 132 0.915 5.249 16.734 1.00 0.00 O ATOM 0 H ASP A 132 0.804 2.907 12.852 1.00 0.00 H new ATOM 0 HA ASP A 132 2.735 4.240 14.445 1.00 0.00 H new ATOM 0 HB2 ASP A 132 0.164 3.911 14.738 1.00 0.00 H new ATOM 0 HB3 ASP A 132 0.576 2.358 15.438 1.00 0.00 H new ATOM 1825 N SER A 133 3.832 2.390 15.925 1.00 0.00 N ATOM 1826 CA SER A 133 4.768 1.409 16.433 1.00 0.00 C ATOM 1827 C SER A 133 4.047 0.237 17.093 1.00 0.00 C ATOM 1828 O SER A 133 3.829 0.222 18.305 1.00 0.00 O ATOM 1829 CB SER A 133 5.737 2.053 17.416 1.00 0.00 C ATOM 1830 OG SER A 133 6.384 3.178 16.838 1.00 0.00 O ATOM 0 H SER A 133 3.775 3.246 16.477 1.00 0.00 H new ATOM 0 HA SER A 133 5.331 1.021 15.584 1.00 0.00 H new ATOM 0 HB2 SER A 133 5.199 2.361 18.312 1.00 0.00 H new ATOM 0 HB3 SER A 133 6.483 1.322 17.727 1.00 0.00 H new ATOM 0 HG SER A 133 6.999 3.573 17.491 1.00 0.00 H new ATOM 1836 N GLY A 134 3.643 -0.711 16.285 1.00 0.00 N ATOM 1837 CA GLY A 134 3.000 -1.892 16.791 1.00 0.00 C ATOM 1838 C GLY A 134 3.700 -3.134 16.315 1.00 0.00 C ATOM 1839 O GLY A 134 4.856 -3.369 16.653 1.00 0.00 O ATOM 0 H GLY A 134 3.750 -0.685 15.271 1.00 0.00 H new ATOM 0 HA2 GLY A 134 2.995 -1.869 17.881 1.00 0.00 H new ATOM 0 HA3 GLY A 134 1.959 -1.910 16.467 1.00 0.00 H new ATOM 1843 N SER A 135 3.013 -3.922 15.516 1.00 0.00 N ATOM 1844 CA SER A 135 3.589 -5.137 14.971 1.00 0.00 C ATOM 1845 C SER A 135 4.324 -4.842 13.663 1.00 0.00 C ATOM 1846 O SER A 135 5.169 -5.619 13.221 1.00 0.00 O ATOM 1847 CB SER A 135 2.486 -6.158 14.723 1.00 0.00 C ATOM 1848 OG SER A 135 1.596 -6.215 15.830 1.00 0.00 O ATOM 0 H SER A 135 2.051 -3.744 15.227 1.00 0.00 H new ATOM 0 HA SER A 135 4.304 -5.539 15.689 1.00 0.00 H new ATOM 0 HB2 SER A 135 1.935 -5.894 13.820 1.00 0.00 H new ATOM 0 HB3 SER A 135 2.925 -7.141 14.552 1.00 0.00 H new ATOM 0 HG SER A 135 0.894 -6.875 15.651 1.00 0.00 H new ATOM 1854 N VAL A 136 4.001 -3.701 13.065 1.00 0.00 N ATOM 1855 CA VAL A 136 4.564 -3.315 11.786 1.00 0.00 C ATOM 1856 C VAL A 136 5.977 -2.760 11.930 1.00 0.00 C ATOM 1857 O VAL A 136 6.932 -3.345 11.424 1.00 0.00 O ATOM 1858 CB VAL A 136 3.673 -2.253 11.093 1.00 0.00 C ATOM 1859 CG1 VAL A 136 4.225 -1.892 9.724 1.00 0.00 C ATOM 1860 CG2 VAL A 136 2.241 -2.750 10.985 1.00 0.00 C ATOM 0 H VAL A 136 3.345 -3.024 13.454 1.00 0.00 H new ATOM 0 HA VAL A 136 4.606 -4.217 11.176 1.00 0.00 H new ATOM 0 HB VAL A 136 3.678 -1.351 11.704 1.00 0.00 H new ATOM 0 HG11 VAL A 136 3.582 -1.145 9.258 1.00 0.00 H new ATOM 0 HG12 VAL A 136 5.231 -1.488 9.833 1.00 0.00 H new ATOM 0 HG13 VAL A 136 4.258 -2.784 9.098 1.00 0.00 H new ATOM 0 HG21 VAL A 136 1.629 -1.992 10.496 1.00 0.00 H new ATOM 0 HG22 VAL A 136 2.218 -3.669 10.399 1.00 0.00 H new ATOM 0 HG23 VAL A 136 1.848 -2.946 11.982 1.00 0.00 H new ATOM 1870 N GLN A 137 6.097 -1.645 12.647 1.00 0.00 N ATOM 1871 CA GLN A 137 7.363 -0.930 12.790 1.00 0.00 C ATOM 1872 C GLN A 137 8.501 -1.842 13.261 1.00 0.00 C ATOM 1873 O GLN A 137 9.552 -1.892 12.643 1.00 0.00 O ATOM 1874 CB GLN A 137 7.202 0.226 13.763 1.00 0.00 C ATOM 1875 CG GLN A 137 8.316 1.253 13.682 1.00 0.00 C ATOM 1876 CD GLN A 137 8.207 2.155 12.464 1.00 0.00 C ATOM 1877 OE1 GLN A 137 6.990 2.449 12.041 1.00 0.00 O flip ATOM 1878 NE2 GLN A 137 9.213 2.603 11.926 1.00 0.00 N flip ATOM 0 H GLN A 137 5.319 -1.212 13.145 1.00 0.00 H new ATOM 0 HA GLN A 137 7.630 -0.554 11.802 1.00 0.00 H new ATOM 0 HB2 GLN A 137 6.250 0.720 13.571 1.00 0.00 H new ATOM 0 HB3 GLN A 137 7.157 -0.169 14.778 1.00 0.00 H new ATOM 0 HG2 GLN A 137 8.303 1.866 14.583 1.00 0.00 H new ATOM 0 HG3 GLN A 137 9.276 0.738 13.661 1.00 0.00 H new ATOM 0 HE21 GLN A 137 10.136 2.353 12.282 1.00 0.00 H new ATOM 0 HE22 GLN A 137 9.127 3.226 11.123 1.00 0.00 H new ATOM 1887 N SER A 138 8.266 -2.566 14.339 1.00 0.00 N ATOM 1888 CA SER A 138 9.279 -3.426 14.932 1.00 0.00 C ATOM 1889 C SER A 138 9.841 -4.446 13.936 1.00 0.00 C ATOM 1890 O SER A 138 11.057 -4.647 13.859 1.00 0.00 O ATOM 1891 CB SER A 138 8.688 -4.138 16.142 1.00 0.00 C ATOM 1892 OG SER A 138 7.401 -4.657 15.835 1.00 0.00 O ATOM 0 H SER A 138 7.371 -2.576 14.829 1.00 0.00 H new ATOM 0 HA SER A 138 10.114 -2.795 15.238 1.00 0.00 H new ATOM 0 HB2 SER A 138 9.348 -4.948 16.453 1.00 0.00 H new ATOM 0 HB3 SER A 138 8.617 -3.445 16.980 1.00 0.00 H new ATOM 0 HG SER A 138 6.713 -4.067 16.207 1.00 0.00 H new ATOM 1898 N ASP A 139 8.965 -5.068 13.163 1.00 0.00 N ATOM 1899 CA ASP A 139 9.397 -6.099 12.232 1.00 0.00 C ATOM 1900 C ASP A 139 10.027 -5.495 10.982 1.00 0.00 C ATOM 1901 O ASP A 139 11.045 -5.993 10.486 1.00 0.00 O ATOM 1902 CB ASP A 139 8.237 -7.021 11.856 1.00 0.00 C ATOM 1903 CG ASP A 139 8.715 -8.411 11.479 1.00 0.00 C ATOM 1904 OD1 ASP A 139 8.935 -9.231 12.395 1.00 0.00 O ATOM 1905 OD2 ASP A 139 8.890 -8.686 10.282 1.00 0.00 O ATOM 0 H ASP A 139 7.962 -4.881 13.160 1.00 0.00 H new ATOM 0 HA ASP A 139 10.158 -6.694 12.737 1.00 0.00 H new ATOM 0 HB2 ASP A 139 7.543 -7.091 12.694 1.00 0.00 H new ATOM 0 HB3 ASP A 139 7.686 -6.588 11.021 1.00 0.00 H new ATOM 1910 N ILE A 140 9.442 -4.408 10.478 1.00 0.00 N ATOM 1911 CA ILE A 140 9.961 -3.774 9.273 1.00 0.00 C ATOM 1912 C ILE A 140 11.333 -3.150 9.515 1.00 0.00 C ATOM 1913 O ILE A 140 12.188 -3.178 8.631 1.00 0.00 O ATOM 1914 CB ILE A 140 9.002 -2.707 8.673 1.00 0.00 C ATOM 1915 CG1 ILE A 140 8.799 -1.541 9.643 1.00 0.00 C ATOM 1916 CG2 ILE A 140 7.666 -3.342 8.299 1.00 0.00 C ATOM 1917 CD1 ILE A 140 8.012 -0.386 9.064 1.00 0.00 C ATOM 0 H ILE A 140 8.621 -3.956 10.880 1.00 0.00 H new ATOM 0 HA ILE A 140 10.051 -4.578 8.542 1.00 0.00 H new ATOM 0 HB ILE A 140 9.460 -2.309 7.767 1.00 0.00 H new ATOM 0 HG12 ILE A 140 8.286 -1.907 10.532 1.00 0.00 H new ATOM 0 HG13 ILE A 140 9.774 -1.177 9.966 1.00 0.00 H new ATOM 0 HG21 ILE A 140 7.006 -2.582 7.881 1.00 0.00 H new ATOM 0 HG22 ILE A 140 7.830 -4.127 7.560 1.00 0.00 H new ATOM 0 HG23 ILE A 140 7.206 -3.772 9.189 1.00 0.00 H new ATOM 0 HD11 ILE A 140 7.912 0.399 9.814 1.00 0.00 H new ATOM 0 HD12 ILE A 140 8.534 0.009 8.192 1.00 0.00 H new ATOM 0 HD13 ILE A 140 7.022 -0.733 8.768 1.00 0.00 H new ATOM 1929 N SER A 141 11.543 -2.598 10.713 1.00 0.00 N ATOM 1930 CA SER A 141 12.823 -1.985 11.059 1.00 0.00 C ATOM 1931 C SER A 141 13.971 -2.987 10.900 1.00 0.00 C ATOM 1932 O SER A 141 14.942 -2.723 10.190 1.00 0.00 O ATOM 1933 CB SER A 141 12.793 -1.438 12.490 1.00 0.00 C ATOM 1934 OG SER A 141 11.846 -0.391 12.616 1.00 0.00 O ATOM 0 H SER A 141 10.844 -2.564 11.455 1.00 0.00 H new ATOM 0 HA SER A 141 12.993 -1.156 10.372 1.00 0.00 H new ATOM 0 HB2 SER A 141 12.547 -2.241 13.185 1.00 0.00 H new ATOM 0 HB3 SER A 141 13.783 -1.072 12.764 1.00 0.00 H new ATOM 0 HG SER A 141 10.940 -0.761 12.559 1.00 0.00 H new ATOM 1940 N SER A 142 13.837 -4.143 11.535 1.00 0.00 N ATOM 1941 CA SER A 142 14.861 -5.175 11.477 1.00 0.00 C ATOM 1942 C SER A 142 15.088 -5.662 10.039 1.00 0.00 C ATOM 1943 O SER A 142 16.234 -5.812 9.596 1.00 0.00 O ATOM 1944 CB SER A 142 14.467 -6.344 12.379 1.00 0.00 C ATOM 1945 OG SER A 142 14.187 -5.887 13.694 1.00 0.00 O ATOM 0 H SER A 142 13.024 -4.390 12.099 1.00 0.00 H new ATOM 0 HA SER A 142 15.798 -4.745 11.830 1.00 0.00 H new ATOM 0 HB2 SER A 142 13.592 -6.848 11.969 1.00 0.00 H new ATOM 0 HB3 SER A 142 15.273 -7.077 12.407 1.00 0.00 H new ATOM 0 HG SER A 142 13.276 -5.528 13.728 1.00 0.00 H new ATOM 1951 N SER A 143 14.001 -5.876 9.310 1.00 0.00 N ATOM 1952 CA SER A 143 14.077 -6.366 7.942 1.00 0.00 C ATOM 1953 C SER A 143 14.734 -5.348 6.997 1.00 0.00 C ATOM 1954 O SER A 143 15.517 -5.717 6.131 1.00 0.00 O ATOM 1955 CB SER A 143 12.683 -6.738 7.439 1.00 0.00 C ATOM 1956 OG SER A 143 12.115 -7.774 8.224 1.00 0.00 O ATOM 0 H SER A 143 13.051 -5.717 9.646 1.00 0.00 H new ATOM 0 HA SER A 143 14.708 -7.255 7.947 1.00 0.00 H new ATOM 0 HB2 SER A 143 12.037 -5.861 7.467 1.00 0.00 H new ATOM 0 HB3 SER A 143 12.742 -7.057 6.398 1.00 0.00 H new ATOM 0 HG SER A 143 11.155 -7.611 8.335 1.00 0.00 H new ATOM 1962 N SER A 144 14.430 -4.073 7.186 1.00 0.00 N ATOM 1963 CA SER A 144 14.970 -3.021 6.327 1.00 0.00 C ATOM 1964 C SER A 144 16.421 -2.685 6.689 1.00 0.00 C ATOM 1965 O SER A 144 17.141 -2.063 5.906 1.00 0.00 O ATOM 1966 CB SER A 144 14.087 -1.770 6.365 1.00 0.00 C ATOM 1967 OG SER A 144 13.867 -1.335 7.696 1.00 0.00 O ATOM 0 H SER A 144 13.813 -3.738 7.926 1.00 0.00 H new ATOM 0 HA SER A 144 14.969 -3.402 5.306 1.00 0.00 H new ATOM 0 HB2 SER A 144 14.559 -0.972 5.793 1.00 0.00 H new ATOM 0 HB3 SER A 144 13.131 -1.983 5.887 1.00 0.00 H new ATOM 0 HG SER A 144 13.031 -1.721 8.032 1.00 0.00 H new