USER MOD reduce.3.24.130724 H: found=0, std=0, add=635, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 637 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 13 LYS NZ :NH3+ -175:sc= 0.8 (180deg=0.767) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot -130:sc= -2.49! USER MOD Single : A 27 ASN : amide:sc= -0.439 K(o=-0.44,f=0.19) USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.202 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 HIS : no HD1:sc= -0.0302 X(o=-0.03,f=-0.16) USER MOD Single : A 36 TYR OH : rot 180:sc= -0.0418 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN : amide:sc= -0.0108 K(o=-0.011,f=-2) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 53 HIS : no HD1:sc= -1.18 X(o=-1.2,f=-1.1) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= -5.83! C(o=-5.8!,f=-4!) USER MOD Single : A 65 SER OG : rot 180:sc= 0.0617 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 HIS : no HE2:sc= -5.03! C(o=-5!,f=-4.1!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= -0.435 K(o=-0.44,f=-7.9!) USER MOD Single : A 77 THR OG1 : rot -31:sc= -5! USER MOD Single : A 80 ASN : amide:sc= -1.67 K(o=-1.7,f=-3.5!) USER MOD Single : A 81 THR OG1 : rot -89:sc= -0.0683 USER MOD Single : A 83 GLN : amide:sc= -0.781 K(o=-0.78,f=-2.3!) USER MOD Single : A 86 HIS : no HD1:sc= -0.653 X(o=-0.65,f=-0.27) USER MOD Single : A 91 LYS NZ :NH3+ -140:sc= -0.0898 (180deg=-1.02) USER MOD ----------------------------------------------------------------- ATOM 72 N ILE A 6 -11.340 -2.557 -5.770 1.00 15.00 N ATOM 73 CA ILE A 6 -9.892 -2.519 -5.815 1.00 15.00 C ATOM 74 C ILE A 6 -9.404 -1.303 -6.596 1.00 15.00 C ATOM 75 O ILE A 6 -10.012 -0.910 -7.592 1.00 15.00 O ATOM 76 CB ILE A 6 -9.350 -3.808 -6.467 1.00 15.00 C ATOM 77 CG1 ILE A 6 -8.920 -4.807 -5.394 1.00 15.00 C ATOM 78 CG2 ILE A 6 -8.189 -3.506 -7.411 1.00 15.00 C ATOM 79 CD1 ILE A 6 -10.058 -5.273 -4.512 1.00 15.00 C ATOM 0 HA ILE A 6 -9.521 -2.446 -4.793 1.00 15.00 H new ATOM 0 HB ILE A 6 -10.154 -4.249 -7.056 1.00 15.00 H new ATOM 0 HG12 ILE A 6 -8.466 -5.673 -5.876 1.00 15.00 H new ATOM 0 HG13 ILE A 6 -8.151 -4.350 -4.771 1.00 15.00 H new ATOM 0 HG21 ILE A 6 -7.830 -4.435 -7.854 1.00 15.00 H new ATOM 0 HG22 ILE A 6 -8.527 -2.834 -8.200 1.00 15.00 H new ATOM 0 HG23 ILE A 6 -7.380 -3.033 -6.854 1.00 15.00 H new ATOM 0 HD11 ILE A 6 -9.680 -5.980 -3.774 1.00 15.00 H new ATOM 0 HD12 ILE A 6 -10.497 -4.416 -4.002 1.00 15.00 H new ATOM 0 HD13 ILE A 6 -10.817 -5.759 -5.124 1.00 15.00 H new ATOM 91 N PHE A 7 -8.296 -0.725 -6.154 1.00 15.00 N ATOM 92 CA PHE A 7 -7.724 0.428 -6.832 1.00 15.00 C ATOM 93 C PHE A 7 -6.203 0.330 -6.858 1.00 15.00 C ATOM 94 O PHE A 7 -5.616 -0.482 -6.146 1.00 15.00 O ATOM 95 CB PHE A 7 -8.175 1.733 -6.165 1.00 15.00 C ATOM 96 CG PHE A 7 -7.446 2.063 -4.891 1.00 15.00 C ATOM 97 CD1 PHE A 7 -6.140 2.528 -4.924 1.00 15.00 C ATOM 98 CD2 PHE A 7 -8.070 1.916 -3.663 1.00 15.00 C ATOM 99 CE1 PHE A 7 -5.471 2.838 -3.757 1.00 15.00 C ATOM 100 CE2 PHE A 7 -7.406 2.226 -2.492 1.00 15.00 C ATOM 101 CZ PHE A 7 -6.105 2.687 -2.540 1.00 15.00 C ATOM 0 H PHE A 7 -7.777 -1.035 -5.332 1.00 15.00 H new ATOM 0 HA PHE A 7 -8.085 0.435 -7.860 1.00 15.00 H new ATOM 0 HB2 PHE A 7 -8.039 2.553 -6.870 1.00 15.00 H new ATOM 0 HB3 PHE A 7 -9.242 1.669 -5.953 1.00 15.00 H new ATOM 0 HD1 PHE A 7 -5.640 2.649 -5.874 1.00 15.00 H new ATOM 0 HD2 PHE A 7 -9.087 1.555 -3.621 1.00 15.00 H new ATOM 0 HE1 PHE A 7 -4.454 3.198 -3.796 1.00 15.00 H new ATOM 0 HE2 PHE A 7 -7.903 2.108 -1.541 1.00 15.00 H new ATOM 0 HZ PHE A 7 -5.584 2.929 -1.626 1.00 15.00 H new ATOM 111 N GLU A 8 -5.572 1.150 -7.688 1.00 15.00 N ATOM 112 CA GLU A 8 -4.119 1.137 -7.810 1.00 15.00 C ATOM 113 C GLU A 8 -3.535 2.539 -7.692 1.00 15.00 C ATOM 114 O GLU A 8 -4.105 3.513 -8.185 1.00 15.00 O ATOM 115 CB GLU A 8 -3.714 0.529 -9.148 1.00 15.00 C ATOM 116 CG GLU A 8 -4.419 1.161 -10.331 1.00 15.00 C ATOM 117 CD GLU A 8 -4.345 0.309 -11.582 1.00 15.00 C ATOM 118 OE1 GLU A 8 -4.372 -0.934 -11.457 1.00 15.00 O ATOM 119 OE2 GLU A 8 -4.262 0.883 -12.688 1.00 15.00 O ATOM 0 H GLU A 8 -6.041 1.831 -8.285 1.00 15.00 H new ATOM 0 HA GLU A 8 -3.723 0.533 -6.994 1.00 15.00 H new ATOM 0 HB2 GLU A 8 -2.637 0.635 -9.276 1.00 15.00 H new ATOM 0 HB3 GLU A 8 -3.929 -0.539 -9.134 1.00 15.00 H new ATOM 0 HG2 GLU A 8 -5.465 1.333 -10.075 1.00 15.00 H new ATOM 0 HG3 GLU A 8 -3.976 2.136 -10.534 1.00 15.00 H new ATOM 126 N VAL A 9 -2.379 2.616 -7.052 1.00 15.00 N ATOM 127 CA VAL A 9 -1.670 3.876 -6.871 1.00 15.00 C ATOM 128 C VAL A 9 -0.530 3.968 -7.876 1.00 15.00 C ATOM 129 O VAL A 9 0.401 3.164 -7.846 1.00 15.00 O ATOM 130 CB VAL A 9 -1.129 4.038 -5.422 1.00 15.00 C ATOM 131 CG1 VAL A 9 -1.144 2.710 -4.679 1.00 15.00 C ATOM 132 CG2 VAL A 9 0.275 4.636 -5.412 1.00 15.00 C ATOM 0 H VAL A 9 -1.906 1.810 -6.644 1.00 15.00 H new ATOM 0 HA VAL A 9 -2.377 4.688 -7.042 1.00 15.00 H new ATOM 0 HB VAL A 9 -1.794 4.730 -4.905 1.00 15.00 H new ATOM 0 HG11 VAL A 9 -0.760 2.854 -3.669 1.00 15.00 H new ATOM 0 HG12 VAL A 9 -2.165 2.333 -4.629 1.00 15.00 H new ATOM 0 HG13 VAL A 9 -0.517 1.991 -5.206 1.00 15.00 H new ATOM 0 HG21 VAL A 9 0.621 4.735 -4.383 1.00 15.00 H new ATOM 0 HG22 VAL A 9 0.953 3.983 -5.962 1.00 15.00 H new ATOM 0 HG23 VAL A 9 0.255 5.618 -5.884 1.00 15.00 H new ATOM 142 N GLU A 10 -0.622 4.932 -8.779 1.00 15.00 N ATOM 143 CA GLU A 10 0.392 5.101 -9.807 1.00 15.00 C ATOM 144 C GLU A 10 1.289 6.305 -9.539 1.00 15.00 C ATOM 145 O GLU A 10 1.213 7.316 -10.237 1.00 15.00 O ATOM 146 CB GLU A 10 -0.280 5.236 -11.167 1.00 15.00 C ATOM 147 CG GLU A 10 0.695 5.434 -12.317 1.00 15.00 C ATOM 148 CD GLU A 10 0.289 6.570 -13.236 1.00 15.00 C ATOM 149 OE1 GLU A 10 0.620 7.733 -12.924 1.00 15.00 O ATOM 150 OE2 GLU A 10 -0.358 6.296 -14.269 1.00 15.00 O ATOM 0 H GLU A 10 -1.386 5.607 -8.821 1.00 15.00 H new ATOM 0 HA GLU A 10 1.030 4.218 -9.795 1.00 15.00 H new ATOM 0 HB2 GLU A 10 -0.876 4.343 -11.358 1.00 15.00 H new ATOM 0 HB3 GLU A 10 -0.970 6.079 -11.139 1.00 15.00 H new ATOM 0 HG2 GLU A 10 1.689 5.633 -11.916 1.00 15.00 H new ATOM 0 HG3 GLU A 10 0.763 4.512 -12.894 1.00 15.00 H new ATOM 157 N LEU A 11 2.156 6.179 -8.543 1.00 15.00 N ATOM 158 CA LEU A 11 3.088 7.248 -8.207 1.00 15.00 C ATOM 159 C LEU A 11 4.364 7.094 -9.028 1.00 15.00 C ATOM 160 O LEU A 11 4.586 6.052 -9.639 1.00 15.00 O ATOM 161 CB LEU A 11 3.419 7.228 -6.712 1.00 15.00 C ATOM 162 CG LEU A 11 3.543 8.606 -6.054 1.00 15.00 C ATOM 163 CD1 LEU A 11 2.221 9.359 -6.115 1.00 15.00 C ATOM 164 CD2 LEU A 11 4.009 8.466 -4.612 1.00 15.00 C ATOM 0 H LEU A 11 2.234 5.349 -7.955 1.00 15.00 H new ATOM 0 HA LEU A 11 2.621 8.205 -8.441 1.00 15.00 H new ATOM 0 HB2 LEU A 11 2.645 6.663 -6.192 1.00 15.00 H new ATOM 0 HB3 LEU A 11 4.356 6.690 -6.571 1.00 15.00 H new ATOM 0 HG LEU A 11 4.286 9.181 -6.607 1.00 15.00 H new ATOM 0 HD11 LEU A 11 2.335 10.334 -5.641 1.00 15.00 H new ATOM 0 HD12 LEU A 11 1.927 9.494 -7.156 1.00 15.00 H new ATOM 0 HD13 LEU A 11 1.453 8.789 -5.592 1.00 15.00 H new ATOM 0 HD21 LEU A 11 4.092 9.454 -4.159 1.00 15.00 H new ATOM 0 HD22 LEU A 11 3.288 7.870 -4.053 1.00 15.00 H new ATOM 0 HD23 LEU A 11 4.981 7.974 -4.590 1.00 15.00 H new ATOM 176 N ALA A 12 5.198 8.126 -9.049 1.00 15.00 N ATOM 177 CA ALA A 12 6.442 8.071 -9.810 1.00 15.00 C ATOM 178 C ALA A 12 7.612 7.664 -8.923 1.00 15.00 C ATOM 179 O ALA A 12 8.220 8.499 -8.252 1.00 15.00 O ATOM 180 CB ALA A 12 6.722 9.405 -10.478 1.00 15.00 C ATOM 0 H ALA A 12 5.039 9.003 -8.554 1.00 15.00 H new ATOM 0 HA ALA A 12 6.325 7.313 -10.585 1.00 15.00 H new ATOM 0 HB1 ALA A 12 7.654 9.342 -11.040 1.00 15.00 H new ATOM 0 HB2 ALA A 12 5.905 9.651 -11.156 1.00 15.00 H new ATOM 0 HB3 ALA A 12 6.808 10.181 -9.718 1.00 15.00 H new ATOM 186 N LYS A 13 7.918 6.373 -8.927 1.00 15.00 N ATOM 187 CA LYS A 13 9.012 5.836 -8.128 1.00 15.00 C ATOM 188 C LYS A 13 10.341 6.497 -8.494 1.00 15.00 C ATOM 189 O LYS A 13 11.258 6.566 -7.677 1.00 15.00 O ATOM 190 CB LYS A 13 9.105 4.322 -8.331 1.00 15.00 C ATOM 191 CG LYS A 13 9.597 3.572 -7.106 1.00 15.00 C ATOM 192 CD LYS A 13 10.987 4.025 -6.702 1.00 15.00 C ATOM 193 CE LYS A 13 10.937 4.971 -5.513 1.00 15.00 C ATOM 194 NZ LYS A 13 12.208 5.728 -5.350 1.00 15.00 N ATOM 0 H LYS A 13 7.420 5.674 -9.479 1.00 15.00 H new ATOM 0 HA LYS A 13 8.808 6.051 -7.079 1.00 15.00 H new ATOM 0 HB2 LYS A 13 8.123 3.940 -8.610 1.00 15.00 H new ATOM 0 HB3 LYS A 13 9.775 4.117 -9.166 1.00 15.00 H new ATOM 0 HG2 LYS A 13 8.906 3.731 -6.278 1.00 15.00 H new ATOM 0 HG3 LYS A 13 9.607 2.502 -7.312 1.00 15.00 H new ATOM 0 HD2 LYS A 13 11.597 3.156 -6.453 1.00 15.00 H new ATOM 0 HD3 LYS A 13 11.469 4.522 -7.544 1.00 15.00 H new ATOM 0 HE2 LYS A 13 10.112 5.671 -5.641 1.00 15.00 H new ATOM 0 HE3 LYS A 13 10.735 4.402 -4.605 1.00 15.00 H new ATOM 0 HZ1 LYS A 13 12.164 6.298 -4.481 1.00 15.00 H new ATOM 0 HZ2 LYS A 13 13.004 5.061 -5.287 1.00 15.00 H new ATOM 0 HZ3 LYS A 13 12.346 6.355 -6.168 1.00 15.00 H new ATOM 259 N LEU A 18 8.450 7.056 -1.727 1.00 15.00 N ATOM 260 CA LEU A 18 7.233 7.157 -0.940 1.00 15.00 C ATOM 261 C LEU A 18 7.521 7.771 0.424 1.00 15.00 C ATOM 262 O LEU A 18 8.639 8.208 0.698 1.00 15.00 O ATOM 263 CB LEU A 18 6.573 5.783 -0.770 1.00 15.00 C ATOM 264 CG LEU A 18 6.352 5.001 -2.068 1.00 15.00 C ATOM 265 CD1 LEU A 18 5.655 5.869 -3.105 1.00 15.00 C ATOM 266 CD2 LEU A 18 7.676 4.481 -2.608 1.00 15.00 C ATOM 0 HA LEU A 18 6.543 7.808 -1.477 1.00 15.00 H new ATOM 0 HB2 LEU A 18 7.190 5.181 -0.103 1.00 15.00 H new ATOM 0 HB3 LEU A 18 5.610 5.919 -0.278 1.00 15.00 H new ATOM 0 HG LEU A 18 5.710 4.148 -1.850 1.00 15.00 H new ATOM 0 HD11 LEU A 18 5.507 5.295 -4.020 1.00 15.00 H new ATOM 0 HD12 LEU A 18 4.688 6.192 -2.719 1.00 15.00 H new ATOM 0 HD13 LEU A 18 6.270 6.743 -3.320 1.00 15.00 H new ATOM 0 HD21 LEU A 18 7.501 3.928 -3.531 1.00 15.00 H new ATOM 0 HD22 LEU A 18 8.342 5.320 -2.809 1.00 15.00 H new ATOM 0 HD23 LEU A 18 8.136 3.822 -1.872 1.00 15.00 H new ATOM 278 N GLY A 19 6.503 7.804 1.272 1.00 15.00 N ATOM 279 CA GLY A 19 6.655 8.369 2.598 1.00 15.00 C ATOM 280 C GLY A 19 5.547 7.935 3.526 1.00 15.00 C ATOM 281 O GLY A 19 4.987 8.747 4.255 1.00 15.00 O ATOM 0 H GLY A 19 5.570 7.448 1.064 1.00 15.00 H new ATOM 0 HA2 GLY A 19 7.616 8.066 3.014 1.00 15.00 H new ATOM 0 HA3 GLY A 19 6.666 9.457 2.530 1.00 15.00 H new ATOM 285 N ILE A 20 5.221 6.653 3.480 1.00 15.00 N ATOM 286 CA ILE A 20 4.166 6.100 4.312 1.00 15.00 C ATOM 287 C ILE A 20 4.720 5.137 5.355 1.00 15.00 C ATOM 288 O ILE A 20 5.595 4.321 5.063 1.00 15.00 O ATOM 289 CB ILE A 20 3.108 5.379 3.446 1.00 15.00 C ATOM 290 CG1 ILE A 20 1.738 6.002 3.678 1.00 15.00 C ATOM 291 CG2 ILE A 20 3.071 3.892 3.755 1.00 15.00 C ATOM 292 CD1 ILE A 20 0.582 5.064 3.422 1.00 15.00 C ATOM 0 H ILE A 20 5.676 5.973 2.871 1.00 15.00 H new ATOM 0 HA ILE A 20 3.695 6.934 4.833 1.00 15.00 H new ATOM 0 HB ILE A 20 3.382 5.497 2.398 1.00 15.00 H new ATOM 0 HG12 ILE A 20 1.682 6.358 4.707 1.00 15.00 H new ATOM 0 HG13 ILE A 20 1.634 6.874 3.033 1.00 15.00 H new ATOM 0 HG21 ILE A 20 2.318 3.409 3.132 1.00 15.00 H new ATOM 0 HG22 ILE A 20 4.047 3.453 3.550 1.00 15.00 H new ATOM 0 HG23 ILE A 20 2.821 3.745 4.806 1.00 15.00 H new ATOM 0 HD11 ILE A 20 -0.357 5.584 3.610 1.00 15.00 H new ATOM 0 HD12 ILE A 20 0.609 4.727 2.386 1.00 15.00 H new ATOM 0 HD13 ILE A 20 0.659 4.203 4.086 1.00 15.00 H new ATOM 304 N SER A 21 4.165 5.204 6.556 1.00 15.00 N ATOM 305 CA SER A 21 4.560 4.305 7.627 1.00 15.00 C ATOM 306 C SER A 21 3.593 3.128 7.621 1.00 15.00 C ATOM 307 O SER A 21 2.443 3.258 8.041 1.00 15.00 O ATOM 308 CB SER A 21 4.542 5.030 8.976 1.00 15.00 C ATOM 309 OG SER A 21 4.666 4.115 10.050 1.00 15.00 O ATOM 0 H SER A 21 3.439 5.873 6.812 1.00 15.00 H new ATOM 0 HA SER A 21 5.579 3.951 7.472 1.00 15.00 H new ATOM 0 HB2 SER A 21 5.357 5.753 9.014 1.00 15.00 H new ATOM 0 HB3 SER A 21 3.613 5.591 9.078 1.00 15.00 H new ATOM 0 HG SER A 21 4.653 4.604 10.899 1.00 15.00 H new ATOM 315 N VAL A 22 4.040 1.997 7.081 1.00 15.00 N ATOM 316 CA VAL A 22 3.173 0.830 6.957 1.00 15.00 C ATOM 317 C VAL A 22 3.294 -0.137 8.132 1.00 15.00 C ATOM 318 O VAL A 22 4.354 -0.267 8.745 1.00 15.00 O ATOM 319 CB VAL A 22 3.459 0.077 5.639 1.00 15.00 C ATOM 320 CG1 VAL A 22 3.529 1.053 4.475 1.00 15.00 C ATOM 321 CG2 VAL A 22 4.751 -0.726 5.731 1.00 15.00 C ATOM 0 H VAL A 22 4.987 1.865 6.726 1.00 15.00 H new ATOM 0 HA VAL A 22 2.152 1.212 6.955 1.00 15.00 H new ATOM 0 HB VAL A 22 2.639 -0.620 5.468 1.00 15.00 H new ATOM 0 HG11 VAL A 22 3.731 0.507 3.554 1.00 15.00 H new ATOM 0 HG12 VAL A 22 2.579 1.579 4.384 1.00 15.00 H new ATOM 0 HG13 VAL A 22 4.327 1.774 4.652 1.00 15.00 H new ATOM 0 HG21 VAL A 22 4.925 -1.245 4.788 1.00 15.00 H new ATOM 0 HG22 VAL A 22 5.584 -0.053 5.934 1.00 15.00 H new ATOM 0 HG23 VAL A 22 4.669 -1.456 6.537 1.00 15.00 H new ATOM 331 N THR A 23 2.185 -0.811 8.432 1.00 15.00 N ATOM 332 CA THR A 23 2.133 -1.774 9.527 1.00 15.00 C ATOM 333 C THR A 23 1.125 -2.889 9.231 1.00 15.00 C ATOM 334 O THR A 23 0.204 -2.715 8.433 1.00 15.00 O ATOM 335 CB THR A 23 1.753 -1.061 10.828 1.00 15.00 C ATOM 336 OG1 THR A 23 1.557 0.320 10.603 1.00 15.00 O ATOM 337 CG2 THR A 23 2.790 -1.203 11.919 1.00 15.00 C ATOM 0 H THR A 23 1.305 -0.705 7.927 1.00 15.00 H new ATOM 0 HA THR A 23 3.120 -2.225 9.634 1.00 15.00 H new ATOM 0 HB THR A 23 0.834 -1.544 11.160 1.00 15.00 H new ATOM 0 HG1 THR A 23 2.068 0.835 11.262 1.00 15.00 H new ATOM 0 HG21 THR A 23 2.455 -0.673 12.811 1.00 15.00 H new ATOM 0 HG22 THR A 23 2.929 -2.258 12.154 1.00 15.00 H new ATOM 0 HG23 THR A 23 3.735 -0.780 11.580 1.00 15.00 H new ATOM 345 N GLY A 24 1.293 -4.030 9.890 1.00 15.00 N ATOM 346 CA GLY A 24 0.371 -5.137 9.699 1.00 15.00 C ATOM 347 C GLY A 24 0.447 -5.753 8.315 1.00 15.00 C ATOM 348 O GLY A 24 0.137 -5.099 7.321 1.00 15.00 O ATOM 0 H GLY A 24 2.048 -4.209 10.551 1.00 15.00 H new ATOM 0 HA2 GLY A 24 0.579 -5.906 10.443 1.00 15.00 H new ATOM 0 HA3 GLY A 24 -0.646 -4.788 9.878 1.00 15.00 H new ATOM 352 N GLY A 25 0.843 -7.020 8.256 1.00 15.00 N ATOM 353 CA GLY A 25 0.936 -7.715 6.985 1.00 15.00 C ATOM 354 C GLY A 25 1.039 -9.219 7.152 1.00 15.00 C ATOM 355 O GLY A 25 0.448 -9.976 6.382 1.00 15.00 O ATOM 0 H GLY A 25 1.102 -7.580 9.068 1.00 15.00 H new ATOM 0 HA2 GLY A 25 0.060 -7.479 6.380 1.00 15.00 H new ATOM 0 HA3 GLY A 25 1.807 -7.353 6.439 1.00 15.00 H new ATOM 359 N VAL A 26 1.792 -9.649 8.165 1.00 15.00 N ATOM 360 CA VAL A 26 1.982 -11.073 8.454 1.00 15.00 C ATOM 361 C VAL A 26 0.690 -11.865 8.268 1.00 15.00 C ATOM 362 O VAL A 26 -0.402 -11.300 8.279 1.00 15.00 O ATOM 363 CB VAL A 26 2.484 -11.285 9.895 1.00 15.00 C ATOM 364 CG1 VAL A 26 4.002 -11.210 9.955 1.00 15.00 C ATOM 365 CG2 VAL A 26 1.858 -10.262 10.828 1.00 15.00 C ATOM 0 H VAL A 26 2.285 -9.026 8.805 1.00 15.00 H new ATOM 0 HA VAL A 26 2.728 -11.435 7.747 1.00 15.00 H new ATOM 0 HB VAL A 26 2.183 -12.280 10.221 1.00 15.00 H new ATOM 0 HG11 VAL A 26 4.334 -11.363 10.982 1.00 15.00 H new ATOM 0 HG12 VAL A 26 4.430 -11.983 9.317 1.00 15.00 H new ATOM 0 HG13 VAL A 26 4.332 -10.230 9.609 1.00 15.00 H new ATOM 0 HG21 VAL A 26 2.222 -10.424 11.843 1.00 15.00 H new ATOM 0 HG22 VAL A 26 2.129 -9.258 10.501 1.00 15.00 H new ATOM 0 HG23 VAL A 26 0.773 -10.369 10.810 1.00 15.00 H new ATOM 375 N ASN A 27 0.822 -13.176 8.100 1.00 15.00 N ATOM 376 CA ASN A 27 -0.337 -14.042 7.915 1.00 15.00 C ATOM 377 C ASN A 27 -0.924 -14.466 9.259 1.00 15.00 C ATOM 378 O ASN A 27 -1.125 -15.653 9.514 1.00 15.00 O ATOM 379 CB ASN A 27 0.046 -15.277 7.099 1.00 15.00 C ATOM 380 CG ASN A 27 1.276 -15.975 7.647 1.00 15.00 C ATOM 381 OD1 ASN A 27 1.190 -16.754 8.595 1.00 15.00 O ATOM 382 ND2 ASN A 27 2.429 -15.697 7.050 1.00 15.00 N ATOM 0 H ASN A 27 1.719 -13.662 8.088 1.00 15.00 H new ATOM 0 HA ASN A 27 -1.095 -13.478 7.372 1.00 15.00 H new ATOM 0 HB2 ASN A 27 -0.790 -15.976 7.089 1.00 15.00 H new ATOM 0 HB3 ASN A 27 0.229 -14.984 6.065 1.00 15.00 H new ATOM 0 HD21 ASN A 27 3.290 -16.136 7.375 1.00 15.00 H new ATOM 0 HD22 ASN A 27 2.453 -15.044 6.267 1.00 15.00 H new ATOM 389 N THR A 28 -1.198 -13.486 10.114 1.00 15.00 N ATOM 390 CA THR A 28 -1.763 -13.755 11.431 1.00 15.00 C ATOM 391 C THR A 28 -2.598 -12.573 11.913 1.00 15.00 C ATOM 392 O THR A 28 -3.807 -12.695 12.112 1.00 15.00 O ATOM 393 CB THR A 28 -0.650 -14.053 12.438 1.00 15.00 C ATOM 394 OG1 THR A 28 0.529 -14.469 11.772 1.00 15.00 O ATOM 395 CG2 THR A 28 -1.019 -15.130 13.435 1.00 15.00 C ATOM 0 H THR A 28 -1.038 -12.498 9.918 1.00 15.00 H new ATOM 0 HA THR A 28 -2.411 -14.628 11.350 1.00 15.00 H new ATOM 0 HB THR A 28 -0.490 -13.120 12.978 1.00 15.00 H new ATOM 0 HG1 THR A 28 1.230 -14.653 12.432 1.00 15.00 H new ATOM 0 HG21 THR A 28 -0.187 -15.293 14.120 1.00 15.00 H new ATOM 0 HG22 THR A 28 -1.898 -14.818 13.999 1.00 15.00 H new ATOM 0 HG23 THR A 28 -1.239 -16.057 12.905 1.00 15.00 H new ATOM 403 N SER A 29 -1.946 -11.430 12.097 1.00 15.00 N ATOM 404 CA SER A 29 -2.629 -10.225 12.553 1.00 15.00 C ATOM 405 C SER A 29 -3.605 -9.725 11.493 1.00 15.00 C ATOM 406 O SER A 29 -4.780 -9.493 11.777 1.00 15.00 O ATOM 407 CB SER A 29 -1.613 -9.131 12.886 1.00 15.00 C ATOM 408 OG SER A 29 -2.001 -8.408 14.041 1.00 15.00 O ATOM 0 H SER A 29 -0.945 -11.313 11.937 1.00 15.00 H new ATOM 0 HA SER A 29 -3.191 -10.472 13.454 1.00 15.00 H new ATOM 0 HB2 SER A 29 -0.632 -9.578 13.046 1.00 15.00 H new ATOM 0 HB3 SER A 29 -1.519 -8.449 12.041 1.00 15.00 H new ATOM 0 HG SER A 29 -1.334 -7.716 14.233 1.00 15.00 H new ATOM 414 N VAL A 30 -3.110 -9.567 10.271 1.00 15.00 N ATOM 415 CA VAL A 30 -3.937 -9.101 9.165 1.00 15.00 C ATOM 416 C VAL A 30 -4.623 -10.273 8.472 1.00 15.00 C ATOM 417 O VAL A 30 -4.478 -11.422 8.889 1.00 15.00 O ATOM 418 CB VAL A 30 -3.106 -8.319 8.130 1.00 15.00 C ATOM 419 CG1 VAL A 30 -2.629 -6.999 8.715 1.00 15.00 C ATOM 420 CG2 VAL A 30 -1.929 -9.154 7.651 1.00 15.00 C ATOM 0 H VAL A 30 -2.139 -9.755 10.021 1.00 15.00 H new ATOM 0 HA VAL A 30 -4.690 -8.435 9.586 1.00 15.00 H new ATOM 0 HB VAL A 30 -3.741 -8.101 7.271 1.00 15.00 H new ATOM 0 HG11 VAL A 30 -2.044 -6.461 7.969 1.00 15.00 H new ATOM 0 HG12 VAL A 30 -3.490 -6.397 9.004 1.00 15.00 H new ATOM 0 HG13 VAL A 30 -2.010 -7.192 9.592 1.00 15.00 H new ATOM 0 HG21 VAL A 30 -1.353 -8.586 6.920 1.00 15.00 H new ATOM 0 HG22 VAL A 30 -1.292 -9.405 8.499 1.00 15.00 H new ATOM 0 HG23 VAL A 30 -2.297 -10.070 7.190 1.00 15.00 H new ATOM 430 N ARG A 31 -5.372 -9.979 7.415 1.00 15.00 N ATOM 431 CA ARG A 31 -6.078 -11.015 6.672 1.00 15.00 C ATOM 432 C ARG A 31 -5.175 -11.645 5.618 1.00 15.00 C ATOM 433 O ARG A 31 -4.483 -10.947 4.878 1.00 15.00 O ATOM 434 CB ARG A 31 -7.334 -10.438 6.016 1.00 15.00 C ATOM 435 CG ARG A 31 -8.053 -11.411 5.092 1.00 15.00 C ATOM 436 CD ARG A 31 -8.851 -12.442 5.875 1.00 15.00 C ATOM 437 NE ARG A 31 -10.277 -12.382 5.564 1.00 15.00 N ATOM 438 CZ ARG A 31 -11.214 -13.025 6.256 1.00 15.00 C ATOM 439 NH1 ARG A 31 -10.880 -13.777 7.297 1.00 15.00 N ATOM 440 NH2 ARG A 31 -12.488 -12.917 5.905 1.00 15.00 N ATOM 0 H ARG A 31 -5.505 -9.034 7.054 1.00 15.00 H new ATOM 0 HA ARG A 31 -6.373 -11.793 7.376 1.00 15.00 H new ATOM 0 HB2 ARG A 31 -8.024 -10.117 6.796 1.00 15.00 H new ATOM 0 HB3 ARG A 31 -7.059 -9.549 5.448 1.00 15.00 H new ATOM 0 HG2 ARG A 31 -8.721 -10.859 4.430 1.00 15.00 H new ATOM 0 HG3 ARG A 31 -7.325 -11.918 4.459 1.00 15.00 H new ATOM 0 HD2 ARG A 31 -8.473 -13.439 5.651 1.00 15.00 H new ATOM 0 HD3 ARG A 31 -8.706 -12.278 6.943 1.00 15.00 H new ATOM 0 HE ARG A 31 -10.572 -11.814 4.770 1.00 15.00 H new ATOM 0 HH11 ARG A 31 -9.901 -13.864 7.570 1.00 15.00 H new ATOM 0 HH12 ARG A 31 -11.602 -14.268 7.824 1.00 15.00 H new ATOM 0 HH21 ARG A 31 -12.749 -12.341 5.105 1.00 15.00 H new ATOM 0 HH22 ARG A 31 -13.207 -13.410 6.435 1.00 15.00 H new ATOM 454 N HIS A 32 -5.201 -12.971 5.557 1.00 15.00 N ATOM 455 CA HIS A 32 -4.398 -13.721 4.595 1.00 15.00 C ATOM 456 C HIS A 32 -2.917 -13.350 4.688 1.00 15.00 C ATOM 457 O HIS A 32 -2.143 -14.019 5.373 1.00 15.00 O ATOM 458 CB HIS A 32 -4.915 -13.479 3.173 1.00 15.00 C ATOM 459 CG HIS A 32 -5.771 -14.590 2.650 1.00 15.00 C ATOM 460 ND1 HIS A 32 -6.600 -15.344 3.454 1.00 15.00 N ATOM 461 CD2 HIS A 32 -5.926 -15.073 1.395 1.00 15.00 C ATOM 462 CE1 HIS A 32 -7.226 -16.244 2.715 1.00 15.00 C ATOM 463 NE2 HIS A 32 -6.835 -16.100 1.463 1.00 15.00 N ATOM 0 H HIS A 32 -5.774 -13.554 6.167 1.00 15.00 H new ATOM 0 HA HIS A 32 -4.492 -14.780 4.837 1.00 15.00 H new ATOM 0 HB2 HIS A 32 -5.488 -12.552 3.156 1.00 15.00 H new ATOM 0 HB3 HIS A 32 -4.065 -13.341 2.505 1.00 15.00 H new ATOM 0 HD2 HIS A 32 -5.427 -14.717 0.506 1.00 15.00 H new ATOM 0 HE1 HIS A 32 -7.937 -16.973 3.075 1.00 15.00 H new ATOM 0 HE2 HIS A 32 -7.156 -16.661 0.674 1.00 15.00 H new ATOM 472 N GLY A 33 -2.528 -12.287 3.988 1.00 15.00 N ATOM 473 CA GLY A 33 -1.142 -11.853 3.996 1.00 15.00 C ATOM 474 C GLY A 33 -0.953 -10.527 3.286 1.00 15.00 C ATOM 475 O GLY A 33 0.100 -10.274 2.701 1.00 15.00 O ATOM 0 H GLY A 33 -3.150 -11.718 3.414 1.00 15.00 H new ATOM 0 HA2 GLY A 33 -0.797 -11.764 5.026 1.00 15.00 H new ATOM 0 HA3 GLY A 33 -0.523 -12.611 3.517 1.00 15.00 H new ATOM 479 N GLY A 34 -1.971 -9.673 3.351 1.00 15.00 N ATOM 480 CA GLY A 34 -1.887 -8.370 2.722 1.00 15.00 C ATOM 481 C GLY A 34 -1.448 -7.322 3.716 1.00 15.00 C ATOM 482 O GLY A 34 -1.582 -7.523 4.922 1.00 15.00 O ATOM 0 H GLY A 34 -2.852 -9.862 3.829 1.00 15.00 H new ATOM 0 HA2 GLY A 34 -1.183 -8.407 1.891 1.00 15.00 H new ATOM 0 HA3 GLY A 34 -2.857 -8.099 2.306 1.00 15.00 H new ATOM 486 N ILE A 35 -0.914 -6.207 3.236 1.00 15.00 N ATOM 487 CA ILE A 35 -0.459 -5.166 4.148 1.00 15.00 C ATOM 488 C ILE A 35 -1.486 -4.059 4.305 1.00 15.00 C ATOM 489 O ILE A 35 -2.310 -3.824 3.423 1.00 15.00 O ATOM 490 CB ILE A 35 0.897 -4.569 3.713 1.00 15.00 C ATOM 491 CG1 ILE A 35 1.800 -4.393 4.942 1.00 15.00 C ATOM 492 CG2 ILE A 35 0.716 -3.257 2.949 1.00 15.00 C ATOM 493 CD1 ILE A 35 1.734 -3.027 5.592 1.00 15.00 C ATOM 0 H ILE A 35 -0.787 -6.002 2.245 1.00 15.00 H new ATOM 0 HA ILE A 35 -0.326 -5.649 5.116 1.00 15.00 H new ATOM 0 HB ILE A 35 1.380 -5.262 3.024 1.00 15.00 H new ATOM 0 HG12 ILE A 35 1.530 -5.145 5.683 1.00 15.00 H new ATOM 0 HG13 ILE A 35 2.831 -4.590 4.648 1.00 15.00 H new ATOM 0 HG21 ILE A 35 1.692 -2.867 2.659 1.00 15.00 H new ATOM 0 HG22 ILE A 35 0.117 -3.436 2.056 1.00 15.00 H new ATOM 0 HG23 ILE A 35 0.210 -2.532 3.586 1.00 15.00 H new ATOM 0 HD11 ILE A 35 2.405 -3.000 6.450 1.00 15.00 H new ATOM 0 HD12 ILE A 35 2.035 -2.266 4.872 1.00 15.00 H new ATOM 0 HD13 ILE A 35 0.714 -2.830 5.923 1.00 15.00 H new ATOM 505 N TYR A 36 -1.417 -3.378 5.438 1.00 15.00 N ATOM 506 CA TYR A 36 -2.324 -2.283 5.729 1.00 15.00 C ATOM 507 C TYR A 36 -1.546 -1.109 6.299 1.00 15.00 C ATOM 508 O TYR A 36 -1.052 -1.167 7.421 1.00 15.00 O ATOM 509 CB TYR A 36 -3.409 -2.735 6.708 1.00 15.00 C ATOM 510 CG TYR A 36 -4.371 -3.747 6.123 1.00 15.00 C ATOM 511 CD1 TYR A 36 -3.947 -5.026 5.775 1.00 15.00 C ATOM 512 CD2 TYR A 36 -5.707 -3.422 5.918 1.00 15.00 C ATOM 513 CE1 TYR A 36 -4.826 -5.948 5.241 1.00 15.00 C ATOM 514 CE2 TYR A 36 -6.591 -4.340 5.384 1.00 15.00 C ATOM 515 CZ TYR A 36 -6.146 -5.601 5.047 1.00 15.00 C ATOM 516 OH TYR A 36 -7.024 -6.517 4.516 1.00 15.00 O ATOM 0 H TYR A 36 -0.737 -3.567 6.174 1.00 15.00 H new ATOM 0 HA TYR A 36 -2.809 -1.968 4.805 1.00 15.00 H new ATOM 0 HB2 TYR A 36 -2.934 -3.165 7.590 1.00 15.00 H new ATOM 0 HB3 TYR A 36 -3.971 -1.863 7.042 1.00 15.00 H new ATOM 0 HD1 TYR A 36 -2.914 -5.302 5.925 1.00 15.00 H new ATOM 0 HD2 TYR A 36 -6.060 -2.436 6.180 1.00 15.00 H new ATOM 0 HE1 TYR A 36 -4.481 -6.937 4.977 1.00 15.00 H new ATOM 0 HE2 TYR A 36 -7.626 -4.071 5.231 1.00 15.00 H new ATOM 0 HH TYR A 36 -7.914 -6.114 4.446 1.00 15.00 H new ATOM 526 N VAL A 37 -1.417 -0.049 5.515 1.00 15.00 N ATOM 527 CA VAL A 37 -0.659 1.116 5.958 1.00 15.00 C ATOM 528 C VAL A 37 -1.171 1.645 7.292 1.00 15.00 C ATOM 529 O VAL A 37 -2.355 1.552 7.602 1.00 15.00 O ATOM 530 CB VAL A 37 -0.653 2.266 4.908 1.00 15.00 C ATOM 531 CG1 VAL A 37 -0.805 1.739 3.495 1.00 15.00 C ATOM 532 CG2 VAL A 37 -1.720 3.312 5.181 1.00 15.00 C ATOM 0 H VAL A 37 -1.820 0.031 4.582 1.00 15.00 H new ATOM 0 HA VAL A 37 0.367 0.770 6.081 1.00 15.00 H new ATOM 0 HB VAL A 37 0.321 2.746 5.002 1.00 15.00 H new ATOM 0 HG11 VAL A 37 -0.796 2.573 2.793 1.00 15.00 H new ATOM 0 HG12 VAL A 37 0.020 1.064 3.268 1.00 15.00 H new ATOM 0 HG13 VAL A 37 -1.749 1.201 3.407 1.00 15.00 H new ATOM 0 HG21 VAL A 37 -1.671 4.090 4.419 1.00 15.00 H new ATOM 0 HG22 VAL A 37 -2.704 2.843 5.158 1.00 15.00 H new ATOM 0 HG23 VAL A 37 -1.553 3.755 6.163 1.00 15.00 H new ATOM 542 N LYS A 38 -0.268 2.224 8.067 1.00 15.00 N ATOM 543 CA LYS A 38 -0.626 2.799 9.349 1.00 15.00 C ATOM 544 C LYS A 38 -1.237 4.171 9.104 1.00 15.00 C ATOM 545 O LYS A 38 -2.296 4.500 9.635 1.00 15.00 O ATOM 546 CB LYS A 38 0.605 2.871 10.270 1.00 15.00 C ATOM 547 CG LYS A 38 1.138 4.273 10.550 1.00 15.00 C ATOM 548 CD LYS A 38 1.634 4.392 11.981 1.00 15.00 C ATOM 549 CE LYS A 38 0.714 5.267 12.817 1.00 15.00 C ATOM 550 NZ LYS A 38 1.171 5.362 14.231 1.00 15.00 N ATOM 0 H LYS A 38 0.720 2.307 7.828 1.00 15.00 H new ATOM 0 HA LYS A 38 -1.359 2.172 9.857 1.00 15.00 H new ATOM 0 HB2 LYS A 38 0.353 2.401 11.221 1.00 15.00 H new ATOM 0 HB3 LYS A 38 1.405 2.280 9.824 1.00 15.00 H new ATOM 0 HG2 LYS A 38 1.950 4.502 9.860 1.00 15.00 H new ATOM 0 HG3 LYS A 38 0.352 5.007 10.372 1.00 15.00 H new ATOM 0 HD2 LYS A 38 1.700 3.400 12.428 1.00 15.00 H new ATOM 0 HD3 LYS A 38 2.640 4.811 11.985 1.00 15.00 H new ATOM 0 HE2 LYS A 38 0.669 6.266 12.382 1.00 15.00 H new ATOM 0 HE3 LYS A 38 -0.297 4.861 12.789 1.00 15.00 H new ATOM 0 HZ1 LYS A 38 0.517 5.967 14.767 1.00 15.00 H new ATOM 0 HZ2 LYS A 38 1.190 4.412 14.654 1.00 15.00 H new ATOM 0 HZ3 LYS A 38 2.126 5.773 14.260 1.00 15.00 H new ATOM 564 N ALA A 39 -0.558 4.957 8.270 1.00 15.00 N ATOM 565 CA ALA A 39 -1.026 6.285 7.911 1.00 15.00 C ATOM 566 C ALA A 39 -0.152 6.868 6.811 1.00 15.00 C ATOM 567 O ALA A 39 0.870 6.283 6.455 1.00 15.00 O ATOM 568 CB ALA A 39 -1.048 7.192 9.127 1.00 15.00 C ATOM 0 H ALA A 39 0.323 4.690 7.830 1.00 15.00 H new ATOM 0 HA ALA A 39 -2.046 6.207 7.535 1.00 15.00 H new ATOM 0 HB1 ALA A 39 -1.401 8.181 8.837 1.00 15.00 H new ATOM 0 HB2 ALA A 39 -1.716 6.775 9.880 1.00 15.00 H new ATOM 0 HB3 ALA A 39 -0.042 7.272 9.539 1.00 15.00 H new ATOM 574 N VAL A 40 -0.533 8.031 6.297 1.00 15.00 N ATOM 575 CA VAL A 40 0.249 8.692 5.255 1.00 15.00 C ATOM 576 C VAL A 40 1.153 9.733 5.901 1.00 15.00 C ATOM 577 O VAL A 40 0.681 10.733 6.442 1.00 15.00 O ATOM 578 CB VAL A 40 -0.636 9.369 4.179 1.00 15.00 C ATOM 579 CG1 VAL A 40 -0.569 8.600 2.868 1.00 15.00 C ATOM 580 CG2 VAL A 40 -2.076 9.493 4.650 1.00 15.00 C ATOM 0 H VAL A 40 -1.373 8.535 6.581 1.00 15.00 H new ATOM 0 HA VAL A 40 0.836 7.927 4.748 1.00 15.00 H new ATOM 0 HB VAL A 40 -0.249 10.374 4.012 1.00 15.00 H new ATOM 0 HG11 VAL A 40 -1.197 9.092 2.125 1.00 15.00 H new ATOM 0 HG12 VAL A 40 0.461 8.576 2.513 1.00 15.00 H new ATOM 0 HG13 VAL A 40 -0.923 7.581 3.025 1.00 15.00 H new ATOM 0 HG21 VAL A 40 -2.673 9.972 3.874 1.00 15.00 H new ATOM 0 HG22 VAL A 40 -2.478 8.501 4.857 1.00 15.00 H new ATOM 0 HG23 VAL A 40 -2.111 10.095 5.558 1.00 15.00 H new ATOM 590 N ILE A 41 2.452 9.459 5.894 1.00 15.00 N ATOM 591 CA ILE A 41 3.421 10.336 6.536 1.00 15.00 C ATOM 592 C ILE A 41 3.755 11.582 5.713 1.00 15.00 C ATOM 593 O ILE A 41 4.309 11.489 4.615 1.00 15.00 O ATOM 594 CB ILE A 41 4.705 9.547 6.903 1.00 15.00 C ATOM 595 CG1 ILE A 41 4.459 8.662 8.133 1.00 15.00 C ATOM 596 CG2 ILE A 41 5.885 10.474 7.154 1.00 15.00 C ATOM 597 CD1 ILE A 41 3.061 8.084 8.212 1.00 15.00 C ATOM 0 H ILE A 41 2.858 8.635 5.450 1.00 15.00 H new ATOM 0 HA ILE A 41 2.952 10.701 7.450 1.00 15.00 H new ATOM 0 HB ILE A 41 4.953 8.914 6.051 1.00 15.00 H new ATOM 0 HG12 ILE A 41 5.179 7.843 8.128 1.00 15.00 H new ATOM 0 HG13 ILE A 41 4.649 9.248 9.032 1.00 15.00 H new ATOM 0 HG21 ILE A 41 6.765 9.883 7.408 1.00 15.00 H new ATOM 0 HG22 ILE A 41 6.087 11.057 6.256 1.00 15.00 H new ATOM 0 HG23 ILE A 41 5.650 11.147 7.978 1.00 15.00 H new ATOM 0 HD11 ILE A 41 2.971 7.472 9.109 1.00 15.00 H new ATOM 0 HD12 ILE A 41 2.334 8.895 8.251 1.00 15.00 H new ATOM 0 HD13 ILE A 41 2.871 7.469 7.332 1.00 15.00 H new ATOM 609 N PRO A 42 3.416 12.776 6.265 1.00 15.00 N ATOM 610 CA PRO A 42 3.666 14.076 5.620 1.00 15.00 C ATOM 611 C PRO A 42 5.151 14.347 5.380 1.00 15.00 C ATOM 612 O PRO A 42 5.705 15.311 5.909 1.00 15.00 O ATOM 613 CB PRO A 42 3.105 15.098 6.619 1.00 15.00 C ATOM 614 CG PRO A 42 2.175 14.325 7.484 1.00 15.00 C ATOM 615 CD PRO A 42 2.757 12.948 7.575 1.00 15.00 C ATOM 0 HA PRO A 42 3.204 14.118 4.634 1.00 15.00 H new ATOM 0 HB2 PRO A 42 3.902 15.554 7.206 1.00 15.00 H new ATOM 0 HB3 PRO A 42 2.585 15.907 6.105 1.00 15.00 H new ATOM 0 HG2 PRO A 42 2.089 14.780 8.471 1.00 15.00 H new ATOM 0 HG3 PRO A 42 1.173 14.299 7.056 1.00 15.00 H new ATOM 0 HD2 PRO A 42 3.467 12.864 8.398 1.00 15.00 H new ATOM 0 HD3 PRO A 42 1.987 12.195 7.741 1.00 15.00 H new ATOM 623 N GLN A 43 5.793 13.501 4.583 1.00 15.00 N ATOM 624 CA GLN A 43 7.208 13.670 4.287 1.00 15.00 C ATOM 625 C GLN A 43 7.558 13.139 2.899 1.00 15.00 C ATOM 626 O GLN A 43 8.234 13.814 2.121 1.00 15.00 O ATOM 627 CB GLN A 43 8.057 12.961 5.345 1.00 15.00 C ATOM 628 CG GLN A 43 8.649 13.904 6.381 1.00 15.00 C ATOM 629 CD GLN A 43 9.858 14.656 5.861 1.00 15.00 C ATOM 630 OE1 GLN A 43 10.014 14.845 4.654 1.00 15.00 O ATOM 631 NE2 GLN A 43 10.723 15.088 6.771 1.00 15.00 N ATOM 0 H GLN A 43 5.358 12.696 4.133 1.00 15.00 H new ATOM 0 HA GLN A 43 7.425 14.738 4.304 1.00 15.00 H new ATOM 0 HB2 GLN A 43 7.444 12.216 5.852 1.00 15.00 H new ATOM 0 HB3 GLN A 43 8.866 12.424 4.850 1.00 15.00 H new ATOM 0 HG2 GLN A 43 7.888 14.619 6.693 1.00 15.00 H new ATOM 0 HG3 GLN A 43 8.933 13.334 7.266 1.00 15.00 H new ATOM 0 HE21 GLN A 43 10.554 14.909 7.761 1.00 15.00 H new ATOM 0 HE22 GLN A 43 11.557 15.599 6.480 1.00 15.00 H new ATOM 640 N GLY A 44 7.114 11.923 2.596 1.00 15.00 N ATOM 641 CA GLY A 44 7.417 11.331 1.303 1.00 15.00 C ATOM 642 C GLY A 44 6.415 11.678 0.218 1.00 15.00 C ATOM 643 O GLY A 44 5.341 12.214 0.488 1.00 15.00 O ATOM 0 H GLY A 44 6.554 11.339 3.217 1.00 15.00 H new ATOM 0 HA2 GLY A 44 8.407 11.659 0.987 1.00 15.00 H new ATOM 0 HA3 GLY A 44 7.459 10.247 1.412 1.00 15.00 H new ATOM 647 N ALA A 45 6.785 11.352 -1.015 1.00 15.00 N ATOM 648 CA ALA A 45 5.948 11.615 -2.185 1.00 15.00 C ATOM 649 C ALA A 45 4.574 10.959 -2.081 1.00 15.00 C ATOM 650 O ALA A 45 3.678 11.265 -2.868 1.00 15.00 O ATOM 651 CB ALA A 45 6.652 11.140 -3.445 1.00 15.00 C ATOM 0 H ALA A 45 7.672 10.898 -1.234 1.00 15.00 H new ATOM 0 HA ALA A 45 5.790 12.693 -2.231 1.00 15.00 H new ATOM 0 HB1 ALA A 45 6.021 11.340 -4.311 1.00 15.00 H new ATOM 0 HB2 ALA A 45 7.598 11.670 -3.555 1.00 15.00 H new ATOM 0 HB3 ALA A 45 6.842 10.069 -3.374 1.00 15.00 H new ATOM 657 N ALA A 46 4.403 10.061 -1.120 1.00 15.00 N ATOM 658 CA ALA A 46 3.128 9.382 -0.945 1.00 15.00 C ATOM 659 C ALA A 46 2.090 10.339 -0.384 1.00 15.00 C ATOM 660 O ALA A 46 1.046 10.574 -1.001 1.00 15.00 O ATOM 661 CB ALA A 46 3.290 8.186 -0.021 1.00 15.00 C ATOM 0 H ALA A 46 5.126 9.788 -0.454 1.00 15.00 H new ATOM 0 HA ALA A 46 2.788 9.030 -1.919 1.00 15.00 H new ATOM 0 HB1 ALA A 46 2.328 7.688 0.101 1.00 15.00 H new ATOM 0 HB2 ALA A 46 4.008 7.488 -0.451 1.00 15.00 H new ATOM 0 HB3 ALA A 46 3.650 8.523 0.951 1.00 15.00 H new ATOM 667 N GLU A 47 2.393 10.898 0.785 1.00 15.00 N ATOM 668 CA GLU A 47 1.502 11.850 1.436 1.00 15.00 C ATOM 669 C GLU A 47 1.229 13.042 0.517 1.00 15.00 C ATOM 670 O GLU A 47 0.096 13.508 0.403 1.00 15.00 O ATOM 671 CB GLU A 47 2.111 12.340 2.758 1.00 15.00 C ATOM 672 CG GLU A 47 3.305 13.254 2.549 1.00 15.00 C ATOM 673 CD GLU A 47 2.906 14.703 2.343 1.00 15.00 C ATOM 674 OE1 GLU A 47 1.835 15.101 2.847 1.00 15.00 O ATOM 675 OE2 GLU A 47 3.664 15.438 1.676 1.00 15.00 O ATOM 0 H GLU A 47 3.252 10.706 1.301 1.00 15.00 H new ATOM 0 HA GLU A 47 0.560 11.344 1.648 1.00 15.00 H new ATOM 0 HB2 GLU A 47 1.349 12.869 3.330 1.00 15.00 H new ATOM 0 HB3 GLU A 47 2.417 11.480 3.353 1.00 15.00 H new ATOM 0 HG2 GLU A 47 3.967 13.183 3.412 1.00 15.00 H new ATOM 0 HG3 GLU A 47 3.872 12.911 1.684 1.00 15.00 H new ATOM 682 N SER A 48 2.290 13.536 -0.128 1.00 15.00 N ATOM 683 CA SER A 48 2.184 14.680 -1.028 1.00 15.00 C ATOM 684 C SER A 48 1.117 14.434 -2.081 1.00 15.00 C ATOM 685 O SER A 48 0.040 15.030 -2.038 1.00 15.00 O ATOM 686 CB SER A 48 3.531 14.956 -1.700 1.00 15.00 C ATOM 687 OG SER A 48 3.829 16.341 -1.695 1.00 15.00 O ATOM 0 H SER A 48 3.233 13.158 -0.041 1.00 15.00 H new ATOM 0 HA SER A 48 1.899 15.553 -0.440 1.00 15.00 H new ATOM 0 HB2 SER A 48 4.319 14.410 -1.181 1.00 15.00 H new ATOM 0 HB3 SER A 48 3.511 14.589 -2.726 1.00 15.00 H new ATOM 0 HG SER A 48 4.695 16.491 -2.128 1.00 15.00 H new ATOM 693 N ASP A 49 1.408 13.535 -3.014 1.00 15.00 N ATOM 694 CA ASP A 49 0.451 13.201 -4.055 1.00 15.00 C ATOM 695 C ASP A 49 -0.831 12.699 -3.411 1.00 15.00 C ATOM 696 O ASP A 49 -1.935 13.042 -3.833 1.00 15.00 O ATOM 697 CB ASP A 49 1.025 12.134 -4.989 1.00 15.00 C ATOM 698 CG ASP A 49 0.677 12.389 -6.443 1.00 15.00 C ATOM 699 OD1 ASP A 49 -0.460 12.068 -6.846 1.00 15.00 O ATOM 700 OD2 ASP A 49 1.543 12.911 -7.177 1.00 15.00 O ATOM 0 H ASP A 49 2.292 13.029 -3.069 1.00 15.00 H new ATOM 0 HA ASP A 49 0.238 14.092 -4.646 1.00 15.00 H new ATOM 0 HB2 ASP A 49 2.109 12.103 -4.878 1.00 15.00 H new ATOM 0 HB3 ASP A 49 0.646 11.155 -4.694 1.00 15.00 H new ATOM 705 N GLY A 50 -0.665 11.887 -2.372 1.00 15.00 N ATOM 706 CA GLY A 50 -1.801 11.348 -1.659 1.00 15.00 C ATOM 707 C GLY A 50 -2.395 10.155 -2.375 1.00 15.00 C ATOM 708 O GLY A 50 -3.615 10.006 -2.440 1.00 15.00 O ATOM 0 H GLY A 50 0.243 11.593 -2.012 1.00 15.00 H new ATOM 0 HA2 GLY A 50 -1.495 11.055 -0.655 1.00 15.00 H new ATOM 0 HA3 GLY A 50 -2.561 12.121 -1.547 1.00 15.00 H new ATOM 712 N ARG A 51 -1.532 9.310 -2.927 1.00 15.00 N ATOM 713 CA ARG A 51 -1.992 8.131 -3.657 1.00 15.00 C ATOM 714 C ARG A 51 -2.373 7.019 -2.691 1.00 15.00 C ATOM 715 O ARG A 51 -3.455 6.439 -2.790 1.00 15.00 O ATOM 716 CB ARG A 51 -0.916 7.639 -4.629 1.00 15.00 C ATOM 717 CG ARG A 51 -0.971 8.316 -5.989 1.00 15.00 C ATOM 718 CD ARG A 51 -1.944 7.614 -6.922 1.00 15.00 C ATOM 719 NE ARG A 51 -3.277 8.210 -6.872 1.00 15.00 N ATOM 720 CZ ARG A 51 -4.208 8.021 -7.803 1.00 15.00 C ATOM 721 NH1 ARG A 51 -3.957 7.253 -8.856 1.00 15.00 N ATOM 722 NH2 ARG A 51 -5.395 8.599 -7.680 1.00 15.00 N ATOM 0 H ARG A 51 -0.518 9.416 -2.885 1.00 15.00 H new ATOM 0 HA ARG A 51 -2.874 8.413 -4.232 1.00 15.00 H new ATOM 0 HB2 ARG A 51 0.066 7.808 -4.187 1.00 15.00 H new ATOM 0 HB3 ARG A 51 -1.024 6.563 -4.763 1.00 15.00 H new ATOM 0 HG2 ARG A 51 -1.270 9.357 -5.866 1.00 15.00 H new ATOM 0 HG3 ARG A 51 0.024 8.320 -6.435 1.00 15.00 H new ATOM 0 HD2 ARG A 51 -1.564 7.660 -7.943 1.00 15.00 H new ATOM 0 HD3 ARG A 51 -2.008 6.560 -6.653 1.00 15.00 H new ATOM 0 HE ARG A 51 -3.507 8.806 -6.077 1.00 15.00 H new ATOM 0 HH11 ARG A 51 -3.046 6.804 -8.954 1.00 15.00 H new ATOM 0 HH12 ARG A 51 -4.675 7.112 -9.567 1.00 15.00 H new ATOM 0 HH21 ARG A 51 -5.594 9.188 -6.872 1.00 15.00 H new ATOM 0 HH22 ARG A 51 -6.109 8.454 -8.394 1.00 15.00 H new ATOM 736 N ILE A 52 -1.484 6.735 -1.752 1.00 15.00 N ATOM 737 CA ILE A 52 -1.725 5.707 -0.760 1.00 15.00 C ATOM 738 C ILE A 52 -2.607 6.254 0.363 1.00 15.00 C ATOM 739 O ILE A 52 -2.726 7.468 0.526 1.00 15.00 O ATOM 740 CB ILE A 52 -0.393 5.189 -0.192 1.00 15.00 C ATOM 741 CG1 ILE A 52 -0.624 3.940 0.650 1.00 15.00 C ATOM 742 CG2 ILE A 52 0.305 6.274 0.615 1.00 15.00 C ATOM 743 CD1 ILE A 52 -1.301 2.824 -0.110 1.00 15.00 C ATOM 0 H ILE A 52 -0.585 7.207 -1.659 1.00 15.00 H new ATOM 0 HA ILE A 52 -2.244 4.875 -1.237 1.00 15.00 H new ATOM 0 HB ILE A 52 0.259 4.921 -1.024 1.00 15.00 H new ATOM 0 HG12 ILE A 52 0.334 3.583 1.029 1.00 15.00 H new ATOM 0 HG13 ILE A 52 -1.232 4.201 1.516 1.00 15.00 H new ATOM 0 HG21 ILE A 52 1.245 5.887 1.008 1.00 15.00 H new ATOM 0 HG22 ILE A 52 0.506 7.132 -0.026 1.00 15.00 H new ATOM 0 HG23 ILE A 52 -0.335 6.581 1.442 1.00 15.00 H new ATOM 0 HD11 ILE A 52 -1.435 1.965 0.548 1.00 15.00 H new ATOM 0 HD12 ILE A 52 -2.273 3.164 -0.466 1.00 15.00 H new ATOM 0 HD13 ILE A 52 -0.683 2.536 -0.961 1.00 15.00 H new ATOM 755 N HIS A 53 -3.238 5.364 1.124 1.00 15.00 N ATOM 756 CA HIS A 53 -4.118 5.789 2.210 1.00 15.00 C ATOM 757 C HIS A 53 -4.045 4.858 3.401 1.00 15.00 C ATOM 758 O HIS A 53 -3.624 3.710 3.296 1.00 15.00 O ATOM 759 CB HIS A 53 -5.561 5.897 1.716 1.00 15.00 C ATOM 760 CG HIS A 53 -5.726 6.812 0.543 1.00 15.00 C ATOM 761 ND1 HIS A 53 -5.617 6.388 -0.764 1.00 15.00 N ATOM 762 CD2 HIS A 53 -5.996 8.138 0.485 1.00 15.00 C ATOM 763 CE1 HIS A 53 -5.811 7.413 -1.576 1.00 15.00 C ATOM 764 NE2 HIS A 53 -6.043 8.486 -0.843 1.00 15.00 N ATOM 0 H HIS A 53 -3.158 4.353 1.011 1.00 15.00 H new ATOM 0 HA HIS A 53 -3.774 6.770 2.538 1.00 15.00 H new ATOM 0 HB2 HIS A 53 -5.919 4.904 1.444 1.00 15.00 H new ATOM 0 HB3 HIS A 53 -6.190 6.250 2.533 1.00 15.00 H new ATOM 0 HD2 HIS A 53 -6.146 8.799 1.326 1.00 15.00 H new ATOM 0 HE1 HIS A 53 -5.784 7.378 -2.655 1.00 15.00 H new ATOM 0 HE2 HIS A 53 -6.227 9.422 -1.204 1.00 15.00 H new ATOM 773 N LYS A 54 -4.446 5.396 4.542 1.00 15.00 N ATOM 774 CA LYS A 54 -4.427 4.676 5.801 1.00 15.00 C ATOM 775 C LYS A 54 -4.952 3.244 5.668 1.00 15.00 C ATOM 776 O LYS A 54 -5.994 3.005 5.057 1.00 15.00 O ATOM 777 CB LYS A 54 -5.247 5.433 6.846 1.00 15.00 C ATOM 778 CG LYS A 54 -4.577 5.502 8.206 1.00 15.00 C ATOM 779 CD LYS A 54 -5.573 5.284 9.334 1.00 15.00 C ATOM 780 CE LYS A 54 -5.362 3.938 10.009 1.00 15.00 C ATOM 781 NZ LYS A 54 -6.276 3.749 11.170 1.00 15.00 N ATOM 0 H LYS A 54 -4.796 6.351 4.619 1.00 15.00 H new ATOM 0 HA LYS A 54 -3.386 4.610 6.118 1.00 15.00 H new ATOM 0 HB2 LYS A 54 -5.431 6.446 6.488 1.00 15.00 H new ATOM 0 HB3 LYS A 54 -6.219 4.951 6.952 1.00 15.00 H new ATOM 0 HG2 LYS A 54 -3.791 4.749 8.263 1.00 15.00 H new ATOM 0 HG3 LYS A 54 -4.097 6.473 8.327 1.00 15.00 H new ATOM 0 HD2 LYS A 54 -5.472 6.082 10.070 1.00 15.00 H new ATOM 0 HD3 LYS A 54 -6.588 5.340 8.941 1.00 15.00 H new ATOM 0 HE2 LYS A 54 -5.525 3.139 9.285 1.00 15.00 H new ATOM 0 HE3 LYS A 54 -4.328 3.858 10.344 1.00 15.00 H new ATOM 0 HZ1 LYS A 54 -6.100 2.820 11.602 1.00 15.00 H new ATOM 0 HZ2 LYS A 54 -6.104 4.496 11.873 1.00 15.00 H new ATOM 0 HZ3 LYS A 54 -7.263 3.799 10.847 1.00 15.00 H new ATOM 795 N GLY A 55 -4.221 2.300 6.261 1.00 15.00 N ATOM 796 CA GLY A 55 -4.613 0.901 6.223 1.00 15.00 C ATOM 797 C GLY A 55 -4.940 0.405 4.831 1.00 15.00 C ATOM 798 O GLY A 55 -5.816 -0.443 4.663 1.00 15.00 O ATOM 0 H GLY A 55 -3.357 2.483 6.771 1.00 15.00 H new ATOM 0 HA2 GLY A 55 -3.807 0.294 6.637 1.00 15.00 H new ATOM 0 HA3 GLY A 55 -5.482 0.757 6.865 1.00 15.00 H new ATOM 802 N ASP A 56 -4.236 0.918 3.829 1.00 15.00 N ATOM 803 CA ASP A 56 -4.477 0.489 2.458 1.00 15.00 C ATOM 804 C ASP A 56 -4.093 -0.974 2.280 1.00 15.00 C ATOM 805 O ASP A 56 -2.996 -1.386 2.659 1.00 15.00 O ATOM 806 CB ASP A 56 -3.705 1.359 1.463 1.00 15.00 C ATOM 807 CG ASP A 56 -4.618 1.999 0.438 1.00 15.00 C ATOM 808 OD1 ASP A 56 -5.384 1.261 -0.217 1.00 15.00 O ATOM 809 OD2 ASP A 56 -4.567 3.238 0.290 1.00 15.00 O ATOM 0 H ASP A 56 -3.505 1.621 3.937 1.00 15.00 H new ATOM 0 HA ASP A 56 -5.542 0.602 2.257 1.00 15.00 H new ATOM 0 HB2 ASP A 56 -3.166 2.137 2.004 1.00 15.00 H new ATOM 0 HB3 ASP A 56 -2.958 0.750 0.953 1.00 15.00 H new ATOM 814 N ARG A 57 -4.999 -1.751 1.695 1.00 15.00 N ATOM 815 CA ARG A 57 -4.751 -3.167 1.456 1.00 15.00 C ATOM 816 C ARG A 57 -3.985 -3.352 0.153 1.00 15.00 C ATOM 817 O ARG A 57 -4.581 -3.532 -0.909 1.00 15.00 O ATOM 818 CB ARG A 57 -6.070 -3.940 1.403 1.00 15.00 C ATOM 819 CG ARG A 57 -5.905 -5.437 1.608 1.00 15.00 C ATOM 820 CD ARG A 57 -7.209 -6.180 1.367 1.00 15.00 C ATOM 821 NE ARG A 57 -6.994 -7.610 1.163 1.00 15.00 N ATOM 822 CZ ARG A 57 -7.970 -8.515 1.177 1.00 15.00 C ATOM 823 NH1 ARG A 57 -9.227 -8.141 1.383 1.00 15.00 N ATOM 824 NH2 ARG A 57 -7.690 -9.796 0.983 1.00 15.00 N ATOM 0 H ARG A 57 -5.911 -1.423 1.378 1.00 15.00 H new ATOM 0 HA ARG A 57 -4.152 -3.557 2.278 1.00 15.00 H new ATOM 0 HB2 ARG A 57 -6.742 -3.549 2.167 1.00 15.00 H new ATOM 0 HB3 ARG A 57 -6.547 -3.764 0.439 1.00 15.00 H new ATOM 0 HG2 ARG A 57 -5.139 -5.816 0.931 1.00 15.00 H new ATOM 0 HG3 ARG A 57 -5.557 -5.630 2.623 1.00 15.00 H new ATOM 0 HD2 ARG A 57 -7.874 -6.031 2.218 1.00 15.00 H new ATOM 0 HD3 ARG A 57 -7.709 -5.760 0.494 1.00 15.00 H new ATOM 0 HE ARG A 57 -6.041 -7.934 1.000 1.00 15.00 H new ATOM 0 HH11 ARG A 57 -9.448 -7.156 1.531 1.00 15.00 H new ATOM 0 HH12 ARG A 57 -9.971 -8.838 1.393 1.00 15.00 H new ATOM 0 HH21 ARG A 57 -6.726 -10.089 0.823 1.00 15.00 H new ATOM 0 HH22 ARG A 57 -8.438 -10.489 0.994 1.00 15.00 H new ATOM 838 N VAL A 58 -2.660 -3.295 0.237 1.00 15.00 N ATOM 839 CA VAL A 58 -1.821 -3.445 -0.944 1.00 15.00 C ATOM 840 C VAL A 58 -1.676 -4.915 -1.330 1.00 15.00 C ATOM 841 O VAL A 58 -1.091 -5.716 -0.592 1.00 15.00 O ATOM 842 CB VAL A 58 -0.429 -2.793 -0.744 1.00 15.00 C ATOM 843 CG1 VAL A 58 -0.557 -1.494 0.040 1.00 15.00 C ATOM 844 CG2 VAL A 58 0.542 -3.739 -0.049 1.00 15.00 C ATOM 0 H VAL A 58 -2.147 -3.147 1.106 1.00 15.00 H new ATOM 0 HA VAL A 58 -2.317 -2.922 -1.762 1.00 15.00 H new ATOM 0 HB VAL A 58 -0.025 -2.572 -1.732 1.00 15.00 H new ATOM 0 HG11 VAL A 58 0.430 -1.050 0.171 1.00 15.00 H new ATOM 0 HG12 VAL A 58 -1.197 -0.801 -0.506 1.00 15.00 H new ATOM 0 HG13 VAL A 58 -0.995 -1.700 1.017 1.00 15.00 H new ATOM 0 HG21 VAL A 58 1.506 -3.246 0.073 1.00 15.00 H new ATOM 0 HG22 VAL A 58 0.147 -4.011 0.930 1.00 15.00 H new ATOM 0 HG23 VAL A 58 0.668 -4.638 -0.652 1.00 15.00 H new ATOM 854 N LEU A 59 -2.244 -5.262 -2.484 1.00 15.00 N ATOM 855 CA LEU A 59 -2.207 -6.634 -2.981 1.00 15.00 C ATOM 856 C LEU A 59 -1.256 -6.796 -4.168 1.00 15.00 C ATOM 857 O LEU A 59 -0.963 -7.918 -4.578 1.00 15.00 O ATOM 858 CB LEU A 59 -3.612 -7.086 -3.382 1.00 15.00 C ATOM 859 CG LEU A 59 -4.644 -7.092 -2.251 1.00 15.00 C ATOM 860 CD1 LEU A 59 -5.899 -7.833 -2.683 1.00 15.00 C ATOM 861 CD2 LEU A 59 -4.058 -7.721 -0.994 1.00 15.00 C ATOM 0 H LEU A 59 -2.736 -4.609 -3.093 1.00 15.00 H new ATOM 0 HA LEU A 59 -1.833 -7.259 -2.171 1.00 15.00 H new ATOM 0 HB2 LEU A 59 -3.973 -6.434 -4.177 1.00 15.00 H new ATOM 0 HB3 LEU A 59 -3.548 -8.091 -3.799 1.00 15.00 H new ATOM 0 HG LEU A 59 -4.912 -6.060 -2.024 1.00 15.00 H new ATOM 0 HD11 LEU A 59 -6.623 -7.828 -1.868 1.00 15.00 H new ATOM 0 HD12 LEU A 59 -6.331 -7.341 -3.554 1.00 15.00 H new ATOM 0 HD13 LEU A 59 -5.645 -8.862 -2.937 1.00 15.00 H new ATOM 0 HD21 LEU A 59 -4.807 -7.716 -0.202 1.00 15.00 H new ATOM 0 HD22 LEU A 59 -3.761 -8.748 -1.206 1.00 15.00 H new ATOM 0 HD23 LEU A 59 -3.187 -7.150 -0.674 1.00 15.00 H new ATOM 873 N ALA A 60 -0.792 -5.686 -4.738 1.00 15.00 N ATOM 874 CA ALA A 60 0.101 -5.753 -5.892 1.00 15.00 C ATOM 875 C ALA A 60 1.050 -4.559 -5.961 1.00 15.00 C ATOM 876 O ALA A 60 0.682 -3.433 -5.628 1.00 15.00 O ATOM 877 CB ALA A 60 -0.714 -5.849 -7.173 1.00 15.00 C ATOM 0 H ALA A 60 -1.016 -4.741 -4.425 1.00 15.00 H new ATOM 0 HA ALA A 60 0.715 -6.646 -5.778 1.00 15.00 H new ATOM 0 HB1 ALA A 60 -0.041 -5.899 -8.029 1.00 15.00 H new ATOM 0 HB2 ALA A 60 -1.332 -6.746 -7.145 1.00 15.00 H new ATOM 0 HB3 ALA A 60 -1.353 -4.971 -7.264 1.00 15.00 H new ATOM 883 N VAL A 61 2.269 -4.823 -6.421 1.00 15.00 N ATOM 884 CA VAL A 61 3.290 -3.791 -6.574 1.00 15.00 C ATOM 885 C VAL A 61 4.047 -4.013 -7.871 1.00 15.00 C ATOM 886 O VAL A 61 4.892 -4.903 -7.960 1.00 15.00 O ATOM 887 CB VAL A 61 4.295 -3.794 -5.408 1.00 15.00 C ATOM 888 CG1 VAL A 61 5.178 -2.557 -5.461 1.00 15.00 C ATOM 889 CG2 VAL A 61 3.572 -3.885 -4.076 1.00 15.00 C ATOM 0 H VAL A 61 2.577 -5.755 -6.698 1.00 15.00 H new ATOM 0 HA VAL A 61 2.781 -2.827 -6.583 1.00 15.00 H new ATOM 0 HB VAL A 61 4.933 -4.672 -5.507 1.00 15.00 H new ATOM 0 HG11 VAL A 61 5.882 -2.577 -4.629 1.00 15.00 H new ATOM 0 HG12 VAL A 61 5.728 -2.543 -6.402 1.00 15.00 H new ATOM 0 HG13 VAL A 61 4.557 -1.664 -5.390 1.00 15.00 H new ATOM 0 HG21 VAL A 61 4.301 -3.886 -3.266 1.00 15.00 H new ATOM 0 HG22 VAL A 61 2.906 -3.029 -3.964 1.00 15.00 H new ATOM 0 HG23 VAL A 61 2.989 -4.805 -4.040 1.00 15.00 H new ATOM 899 N ASN A 62 3.720 -3.225 -8.889 1.00 15.00 N ATOM 900 CA ASN A 62 4.356 -3.373 -10.188 1.00 15.00 C ATOM 901 C ASN A 62 3.998 -4.733 -10.789 1.00 15.00 C ATOM 902 O ASN A 62 4.631 -5.193 -11.739 1.00 15.00 O ATOM 903 CB ASN A 62 5.876 -3.227 -10.068 1.00 15.00 C ATOM 904 CG ASN A 62 6.330 -1.786 -10.200 1.00 15.00 C ATOM 905 OD1 ASN A 62 7.224 -1.475 -10.987 1.00 15.00 O ATOM 906 ND2 ASN A 62 5.715 -0.898 -9.427 1.00 15.00 N ATOM 0 H ASN A 62 3.023 -2.482 -8.839 1.00 15.00 H new ATOM 0 HA ASN A 62 3.991 -2.585 -10.847 1.00 15.00 H new ATOM 0 HB2 ASN A 62 6.201 -3.621 -9.105 1.00 15.00 H new ATOM 0 HB3 ASN A 62 6.358 -3.829 -10.838 1.00 15.00 H new ATOM 0 HD21 ASN A 62 5.979 0.086 -9.472 1.00 15.00 H new ATOM 0 HD22 ASN A 62 4.979 -1.200 -8.789 1.00 15.00 H new ATOM 913 N GLY A 63 2.969 -5.369 -10.222 1.00 15.00 N ATOM 914 CA GLY A 63 2.528 -6.665 -10.701 1.00 15.00 C ATOM 915 C GLY A 63 2.886 -7.807 -9.767 1.00 15.00 C ATOM 916 O GLY A 63 2.662 -8.972 -10.097 1.00 15.00 O ATOM 0 H GLY A 63 2.433 -5.003 -9.435 1.00 15.00 H new ATOM 0 HA2 GLY A 63 1.447 -6.644 -10.840 1.00 15.00 H new ATOM 0 HA3 GLY A 63 2.971 -6.853 -11.679 1.00 15.00 H new ATOM 920 N VAL A 64 3.432 -7.487 -8.595 1.00 15.00 N ATOM 921 CA VAL A 64 3.797 -8.517 -7.628 1.00 15.00 C ATOM 922 C VAL A 64 2.666 -8.750 -6.626 1.00 15.00 C ATOM 923 O VAL A 64 2.431 -7.937 -5.733 1.00 15.00 O ATOM 924 CB VAL A 64 5.105 -8.168 -6.878 1.00 15.00 C ATOM 925 CG1 VAL A 64 4.880 -7.076 -5.845 1.00 15.00 C ATOM 926 CG2 VAL A 64 5.691 -9.411 -6.227 1.00 15.00 C ATOM 0 H VAL A 64 3.629 -6.532 -8.295 1.00 15.00 H new ATOM 0 HA VAL A 64 3.968 -9.435 -8.190 1.00 15.00 H new ATOM 0 HB VAL A 64 5.818 -7.787 -7.609 1.00 15.00 H new ATOM 0 HG11 VAL A 64 5.819 -6.856 -5.337 1.00 15.00 H new ATOM 0 HG12 VAL A 64 4.516 -6.176 -6.340 1.00 15.00 H new ATOM 0 HG13 VAL A 64 4.143 -7.412 -5.115 1.00 15.00 H new ATOM 0 HG21 VAL A 64 6.610 -9.149 -5.704 1.00 15.00 H new ATOM 0 HG22 VAL A 64 4.974 -9.822 -5.517 1.00 15.00 H new ATOM 0 HG23 VAL A 64 5.909 -10.155 -6.993 1.00 15.00 H new ATOM 936 N SER A 65 1.964 -9.864 -6.787 1.00 15.00 N ATOM 937 CA SER A 65 0.854 -10.202 -5.903 1.00 15.00 C ATOM 938 C SER A 65 1.319 -10.296 -4.454 1.00 15.00 C ATOM 939 O SER A 65 2.278 -11.002 -4.143 1.00 15.00 O ATOM 940 CB SER A 65 0.217 -11.525 -6.333 1.00 15.00 C ATOM 941 OG SER A 65 0.344 -11.722 -7.730 1.00 15.00 O ATOM 0 H SER A 65 2.143 -10.549 -7.521 1.00 15.00 H new ATOM 0 HA SER A 65 0.111 -9.408 -5.975 1.00 15.00 H new ATOM 0 HB2 SER A 65 0.691 -12.350 -5.802 1.00 15.00 H new ATOM 0 HB3 SER A 65 -0.837 -11.532 -6.056 1.00 15.00 H new ATOM 0 HG SER A 65 -0.069 -12.575 -7.979 1.00 15.00 H new ATOM 947 N LEU A 66 0.629 -9.581 -3.573 1.00 15.00 N ATOM 948 CA LEU A 66 0.966 -9.583 -2.156 1.00 15.00 C ATOM 949 C LEU A 66 0.257 -10.724 -1.430 1.00 15.00 C ATOM 950 O LEU A 66 0.670 -11.131 -0.345 1.00 15.00 O ATOM 951 CB LEU A 66 0.593 -8.241 -1.519 1.00 15.00 C ATOM 952 CG LEU A 66 1.773 -7.433 -0.976 1.00 15.00 C ATOM 953 CD1 LEU A 66 2.617 -8.284 -0.039 1.00 15.00 C ATOM 954 CD2 LEU A 66 2.620 -6.895 -2.119 1.00 15.00 C ATOM 0 H LEU A 66 -0.168 -8.992 -3.816 1.00 15.00 H new ATOM 0 HA LEU A 66 2.042 -9.732 -2.063 1.00 15.00 H new ATOM 0 HB2 LEU A 66 0.069 -7.637 -2.260 1.00 15.00 H new ATOM 0 HB3 LEU A 66 -0.108 -8.425 -0.704 1.00 15.00 H new ATOM 0 HG LEU A 66 1.381 -6.587 -0.411 1.00 15.00 H new ATOM 0 HD11 LEU A 66 3.452 -7.692 0.337 1.00 15.00 H new ATOM 0 HD12 LEU A 66 2.005 -8.621 0.797 1.00 15.00 H new ATOM 0 HD13 LEU A 66 3.000 -9.149 -0.580 1.00 15.00 H new ATOM 0 HD21 LEU A 66 3.455 -6.323 -1.715 1.00 15.00 H new ATOM 0 HD22 LEU A 66 3.003 -7.726 -2.711 1.00 15.00 H new ATOM 0 HD23 LEU A 66 2.010 -6.250 -2.751 1.00 15.00 H new ATOM 966 N GLU A 67 -0.812 -11.239 -2.037 1.00 15.00 N ATOM 967 CA GLU A 67 -1.575 -12.336 -1.448 1.00 15.00 C ATOM 968 C GLU A 67 -0.645 -13.449 -0.975 1.00 15.00 C ATOM 969 O GLU A 67 -0.207 -14.285 -1.765 1.00 15.00 O ATOM 970 CB GLU A 67 -2.578 -12.889 -2.461 1.00 15.00 C ATOM 971 CG GLU A 67 -3.761 -11.968 -2.710 1.00 15.00 C ATOM 972 CD GLU A 67 -4.799 -12.587 -3.625 1.00 15.00 C ATOM 973 OE1 GLU A 67 -4.647 -12.470 -4.860 1.00 15.00 O ATOM 974 OE2 GLU A 67 -5.763 -13.189 -3.108 1.00 15.00 O ATOM 0 H GLU A 67 -1.168 -10.913 -2.936 1.00 15.00 H new ATOM 0 HA GLU A 67 -2.118 -11.948 -0.586 1.00 15.00 H new ATOM 0 HB2 GLU A 67 -2.065 -13.071 -3.405 1.00 15.00 H new ATOM 0 HB3 GLU A 67 -2.946 -13.852 -2.107 1.00 15.00 H new ATOM 0 HG2 GLU A 67 -4.226 -11.715 -1.757 1.00 15.00 H new ATOM 0 HG3 GLU A 67 -3.405 -11.036 -3.149 1.00 15.00 H new ATOM 981 N GLY A 68 -0.342 -13.445 0.318 1.00 15.00 N ATOM 982 CA GLY A 68 0.542 -14.450 0.875 1.00 15.00 C ATOM 983 C GLY A 68 1.890 -13.873 1.255 1.00 15.00 C ATOM 984 O GLY A 68 2.914 -14.235 0.675 1.00 15.00 O ATOM 0 H GLY A 68 -0.693 -12.763 0.990 1.00 15.00 H new ATOM 0 HA2 GLY A 68 0.077 -14.894 1.755 1.00 15.00 H new ATOM 0 HA3 GLY A 68 0.682 -15.251 0.150 1.00 15.00 H new ATOM 988 N ALA A 69 1.887 -12.967 2.227 1.00 15.00 N ATOM 989 CA ALA A 69 3.113 -12.329 2.683 1.00 15.00 C ATOM 990 C ALA A 69 2.855 -11.472 3.918 1.00 15.00 C ATOM 991 O ALA A 69 1.708 -11.198 4.268 1.00 15.00 O ATOM 992 CB ALA A 69 3.710 -11.490 1.563 1.00 15.00 C ATOM 0 H ALA A 69 1.046 -12.658 2.714 1.00 15.00 H new ATOM 0 HA ALA A 69 3.826 -13.106 2.959 1.00 15.00 H new ATOM 0 HB1 ALA A 69 4.627 -11.016 1.913 1.00 15.00 H new ATOM 0 HB2 ALA A 69 3.935 -12.130 0.709 1.00 15.00 H new ATOM 0 HB3 ALA A 69 2.996 -10.722 1.263 1.00 15.00 H new ATOM 998 N THR A 70 3.929 -11.062 4.583 1.00 15.00 N ATOM 999 CA THR A 70 3.819 -10.246 5.788 1.00 15.00 C ATOM 1000 C THR A 70 3.902 -8.758 5.465 1.00 15.00 C ATOM 1001 O THR A 70 3.939 -8.362 4.300 1.00 15.00 O ATOM 1002 CB THR A 70 4.919 -10.628 6.777 1.00 15.00 C ATOM 1003 OG1 THR A 70 6.163 -10.077 6.382 1.00 15.00 O ATOM 1004 CG2 THR A 70 5.100 -12.124 6.914 1.00 15.00 C ATOM 0 H THR A 70 4.887 -11.281 4.309 1.00 15.00 H new ATOM 0 HA THR A 70 2.844 -10.437 6.236 1.00 15.00 H new ATOM 0 HB THR A 70 4.600 -10.226 7.738 1.00 15.00 H new ATOM 0 HG1 THR A 70 6.854 -10.332 7.029 1.00 15.00 H new ATOM 0 HG21 THR A 70 5.895 -12.330 7.630 1.00 15.00 H new ATOM 0 HG22 THR A 70 4.170 -12.572 7.265 1.00 15.00 H new ATOM 0 HG23 THR A 70 5.365 -12.549 5.946 1.00 15.00 H new ATOM 1012 N HIS A 71 3.927 -7.940 6.513 1.00 15.00 N ATOM 1013 CA HIS A 71 4.002 -6.493 6.361 1.00 15.00 C ATOM 1014 C HIS A 71 5.304 -6.095 5.680 1.00 15.00 C ATOM 1015 O HIS A 71 5.299 -5.500 4.602 1.00 15.00 O ATOM 1016 CB HIS A 71 3.868 -5.819 7.737 1.00 15.00 C ATOM 1017 CG HIS A 71 4.803 -4.668 7.966 1.00 15.00 C ATOM 1018 ND1 HIS A 71 5.598 -4.558 9.088 1.00 15.00 N ATOM 1019 CD2 HIS A 71 5.068 -3.576 7.211 1.00 15.00 C ATOM 1020 CE1 HIS A 71 6.309 -3.447 9.014 1.00 15.00 C ATOM 1021 NE2 HIS A 71 6.006 -2.834 7.885 1.00 15.00 N ATOM 0 H HIS A 71 3.896 -8.258 7.482 1.00 15.00 H new ATOM 0 HA HIS A 71 3.180 -6.156 5.729 1.00 15.00 H new ATOM 0 HB2 HIS A 71 2.844 -5.466 7.855 1.00 15.00 H new ATOM 0 HB3 HIS A 71 4.039 -6.567 8.511 1.00 15.00 H new ATOM 0 HD1 HIS A 71 5.632 -5.230 9.855 1.00 15.00 H new ATOM 0 HD2 HIS A 71 4.624 -3.334 6.257 1.00 15.00 H new ATOM 0 HE1 HIS A 71 7.017 -3.100 9.752 1.00 15.00 H new ATOM 1030 N LYS A 72 6.416 -6.438 6.313 1.00 15.00 N ATOM 1031 CA LYS A 72 7.732 -6.129 5.769 1.00 15.00 C ATOM 1032 C LYS A 72 7.842 -6.627 4.335 1.00 15.00 C ATOM 1033 O LYS A 72 8.559 -6.049 3.521 1.00 15.00 O ATOM 1034 CB LYS A 72 8.815 -6.771 6.633 1.00 15.00 C ATOM 1035 CG LYS A 72 10.216 -6.275 6.318 1.00 15.00 C ATOM 1036 CD LYS A 72 11.189 -6.600 7.440 1.00 15.00 C ATOM 1037 CE LYS A 72 11.720 -8.020 7.325 1.00 15.00 C ATOM 1038 NZ LYS A 72 13.150 -8.046 6.910 1.00 15.00 N ATOM 0 H LYS A 72 6.434 -6.931 7.206 1.00 15.00 H new ATOM 0 HA LYS A 72 7.869 -5.048 5.772 1.00 15.00 H new ATOM 0 HB2 LYS A 72 8.596 -6.574 7.682 1.00 15.00 H new ATOM 0 HB3 LYS A 72 8.782 -7.852 6.499 1.00 15.00 H new ATOM 0 HG2 LYS A 72 10.564 -6.730 5.391 1.00 15.00 H new ATOM 0 HG3 LYS A 72 10.193 -5.197 6.156 1.00 15.00 H new ATOM 0 HD2 LYS A 72 12.021 -5.896 7.416 1.00 15.00 H new ATOM 0 HD3 LYS A 72 10.692 -6.473 8.402 1.00 15.00 H new ATOM 0 HE2 LYS A 72 11.611 -8.527 8.284 1.00 15.00 H new ATOM 0 HE3 LYS A 72 11.122 -8.574 6.601 1.00 15.00 H new ATOM 0 HZ1 LYS A 72 13.474 -9.032 6.843 1.00 15.00 H new ATOM 0 HZ2 LYS A 72 13.251 -7.585 5.983 1.00 15.00 H new ATOM 0 HZ3 LYS A 72 13.725 -7.540 7.613 1.00 15.00 H new ATOM 1052 N GLN A 73 7.114 -7.695 4.029 1.00 15.00 N ATOM 1053 CA GLN A 73 7.124 -8.257 2.687 1.00 15.00 C ATOM 1054 C GLN A 73 6.659 -7.210 1.685 1.00 15.00 C ATOM 1055 O GLN A 73 7.328 -6.957 0.683 1.00 15.00 O ATOM 1056 CB GLN A 73 6.224 -9.490 2.613 1.00 15.00 C ATOM 1057 CG GLN A 73 6.698 -10.526 1.607 1.00 15.00 C ATOM 1058 CD GLN A 73 6.875 -11.900 2.223 1.00 15.00 C ATOM 1059 OE1 GLN A 73 6.192 -12.255 3.183 1.00 15.00 O ATOM 1060 NE2 GLN A 73 7.796 -12.682 1.671 1.00 15.00 N ATOM 0 H GLN A 73 6.512 -8.186 4.690 1.00 15.00 H new ATOM 0 HA GLN A 73 8.143 -8.559 2.443 1.00 15.00 H new ATOM 0 HB2 GLN A 73 6.170 -9.951 3.599 1.00 15.00 H new ATOM 0 HB3 GLN A 73 5.213 -9.177 2.352 1.00 15.00 H new ATOM 0 HG2 GLN A 73 5.980 -10.588 0.790 1.00 15.00 H new ATOM 0 HG3 GLN A 73 7.645 -10.201 1.175 1.00 15.00 H new ATOM 0 HE21 GLN A 73 8.340 -12.347 0.876 1.00 15.00 H new ATOM 0 HE22 GLN A 73 7.960 -13.618 2.042 1.00 15.00 H new ATOM 1069 N ALA A 74 5.523 -6.581 1.974 1.00 15.00 N ATOM 1070 CA ALA A 74 5.000 -5.541 1.105 1.00 15.00 C ATOM 1071 C ALA A 74 5.925 -4.338 1.137 1.00 15.00 C ATOM 1072 O ALA A 74 6.307 -3.812 0.094 1.00 15.00 O ATOM 1073 CB ALA A 74 3.600 -5.139 1.517 1.00 15.00 C ATOM 0 H ALA A 74 4.953 -6.774 2.798 1.00 15.00 H new ATOM 0 HA ALA A 74 4.949 -5.931 0.089 1.00 15.00 H new ATOM 0 HB1 ALA A 74 3.234 -4.359 0.849 1.00 15.00 H new ATOM 0 HB2 ALA A 74 2.941 -6.005 1.459 1.00 15.00 H new ATOM 0 HB3 ALA A 74 3.616 -4.763 2.540 1.00 15.00 H new ATOM 1079 N VAL A 75 6.307 -3.929 2.348 1.00 15.00 N ATOM 1080 CA VAL A 75 7.225 -2.810 2.530 1.00 15.00 C ATOM 1081 C VAL A 75 8.331 -2.906 1.494 1.00 15.00 C ATOM 1082 O VAL A 75 8.733 -1.914 0.888 1.00 15.00 O ATOM 1083 CB VAL A 75 7.821 -2.831 3.959 1.00 15.00 C ATOM 1084 CG1 VAL A 75 9.334 -3.017 3.947 1.00 15.00 C ATOM 1085 CG2 VAL A 75 7.444 -1.579 4.724 1.00 15.00 C ATOM 0 H VAL A 75 5.992 -4.359 3.218 1.00 15.00 H new ATOM 0 HA VAL A 75 6.687 -1.871 2.401 1.00 15.00 H new ATOM 0 HB VAL A 75 7.391 -3.692 4.470 1.00 15.00 H new ATOM 0 HG11 VAL A 75 9.708 -3.025 4.971 1.00 15.00 H new ATOM 0 HG12 VAL A 75 9.581 -3.962 3.463 1.00 15.00 H new ATOM 0 HG13 VAL A 75 9.797 -2.197 3.399 1.00 15.00 H new ATOM 0 HG21 VAL A 75 7.876 -1.620 5.724 1.00 15.00 H new ATOM 0 HG22 VAL A 75 7.826 -0.703 4.199 1.00 15.00 H new ATOM 0 HG23 VAL A 75 6.359 -1.512 4.800 1.00 15.00 H new ATOM 1095 N GLU A 76 8.788 -4.131 1.284 1.00 15.00 N ATOM 1096 CA GLU A 76 9.818 -4.403 0.306 1.00 15.00 C ATOM 1097 C GLU A 76 9.287 -4.161 -1.104 1.00 15.00 C ATOM 1098 O GLU A 76 9.944 -3.515 -1.912 1.00 15.00 O ATOM 1099 CB GLU A 76 10.320 -5.840 0.449 1.00 15.00 C ATOM 1100 CG GLU A 76 10.945 -6.131 1.804 1.00 15.00 C ATOM 1101 CD GLU A 76 10.913 -7.605 2.157 1.00 15.00 C ATOM 1102 OE1 GLU A 76 10.156 -8.355 1.506 1.00 15.00 O ATOM 1103 OE2 GLU A 76 11.646 -8.009 3.084 1.00 15.00 O ATOM 0 H GLU A 76 8.456 -4.955 1.785 1.00 15.00 H new ATOM 0 HA GLU A 76 10.654 -3.726 0.482 1.00 15.00 H new ATOM 0 HB2 GLU A 76 9.488 -6.525 0.287 1.00 15.00 H new ATOM 0 HB3 GLU A 76 11.054 -6.040 -0.332 1.00 15.00 H new ATOM 0 HG2 GLU A 76 11.978 -5.783 1.806 1.00 15.00 H new ATOM 0 HG3 GLU A 76 10.417 -5.566 2.572 1.00 15.00 H new ATOM 1110 N THR A 77 8.089 -4.675 -1.397 1.00 15.00 N ATOM 1111 CA THR A 77 7.497 -4.489 -2.720 1.00 15.00 C ATOM 1112 C THR A 77 7.206 -3.016 -2.992 1.00 15.00 C ATOM 1113 O THR A 77 7.608 -2.480 -4.025 1.00 15.00 O ATOM 1114 CB THR A 77 6.222 -5.316 -2.883 1.00 15.00 C ATOM 1115 OG1 THR A 77 5.180 -4.812 -2.068 1.00 15.00 O ATOM 1116 CG2 THR A 77 6.406 -6.780 -2.548 1.00 15.00 C ATOM 0 H THR A 77 7.519 -5.215 -0.746 1.00 15.00 H new ATOM 0 HA THR A 77 8.227 -4.839 -3.450 1.00 15.00 H new ATOM 0 HB THR A 77 5.965 -5.234 -3.939 1.00 15.00 H new ATOM 0 HG1 THR A 77 5.562 -4.416 -1.257 1.00 15.00 H new ATOM 0 HG21 THR A 77 5.461 -7.306 -2.686 1.00 15.00 H new ATOM 0 HG22 THR A 77 7.161 -7.212 -3.205 1.00 15.00 H new ATOM 0 HG23 THR A 77 6.728 -6.878 -1.511 1.00 15.00 H new ATOM 1124 N LEU A 78 6.509 -2.359 -2.062 1.00 15.00 N ATOM 1125 CA LEU A 78 6.180 -0.944 -2.222 1.00 15.00 C ATOM 1126 C LEU A 78 7.447 -0.148 -2.493 1.00 15.00 C ATOM 1127 O LEU A 78 7.523 0.626 -3.447 1.00 15.00 O ATOM 1128 CB LEU A 78 5.488 -0.392 -0.970 1.00 15.00 C ATOM 1129 CG LEU A 78 4.499 -1.337 -0.282 1.00 15.00 C ATOM 1130 CD1 LEU A 78 3.693 -0.587 0.767 1.00 15.00 C ATOM 1131 CD2 LEU A 78 3.576 -1.988 -1.301 1.00 15.00 C ATOM 0 H LEU A 78 6.165 -2.780 -1.199 1.00 15.00 H new ATOM 0 HA LEU A 78 5.496 -0.849 -3.065 1.00 15.00 H new ATOM 0 HB2 LEU A 78 6.255 -0.112 -0.248 1.00 15.00 H new ATOM 0 HB3 LEU A 78 4.959 0.521 -1.243 1.00 15.00 H new ATOM 0 HG LEU A 78 5.066 -2.125 0.214 1.00 15.00 H new ATOM 0 HD11 LEU A 78 2.994 -1.272 1.247 1.00 15.00 H new ATOM 0 HD12 LEU A 78 4.367 -0.172 1.516 1.00 15.00 H new ATOM 0 HD13 LEU A 78 3.139 0.222 0.290 1.00 15.00 H new ATOM 0 HD21 LEU A 78 2.882 -2.655 -0.789 1.00 15.00 H new ATOM 0 HD22 LEU A 78 3.015 -1.217 -1.829 1.00 15.00 H new ATOM 0 HD23 LEU A 78 4.168 -2.559 -2.016 1.00 15.00 H new ATOM 1143 N ARG A 79 8.442 -0.362 -1.646 1.00 15.00 N ATOM 1144 CA ARG A 79 9.721 0.310 -1.777 1.00 15.00 C ATOM 1145 C ARG A 79 10.458 -0.182 -3.021 1.00 15.00 C ATOM 1146 O ARG A 79 10.737 0.591 -3.938 1.00 15.00 O ATOM 1147 CB ARG A 79 10.563 0.061 -0.524 1.00 15.00 C ATOM 1148 CG ARG A 79 11.457 1.231 -0.148 1.00 15.00 C ATOM 1149 CD ARG A 79 12.113 1.019 1.207 1.00 15.00 C ATOM 1150 NE ARG A 79 12.739 2.239 1.710 1.00 15.00 N ATOM 1151 CZ ARG A 79 13.130 2.406 2.971 1.00 15.00 C ATOM 1152 NH1 ARG A 79 12.963 1.433 3.858 1.00 15.00 N ATOM 1153 NH2 ARG A 79 13.690 3.548 3.345 1.00 15.00 N ATOM 0 H ARG A 79 8.385 -1.002 -0.854 1.00 15.00 H new ATOM 0 HA ARG A 79 9.550 1.381 -1.884 1.00 15.00 H new ATOM 0 HB2 ARG A 79 9.899 -0.161 0.311 1.00 15.00 H new ATOM 0 HB3 ARG A 79 11.182 -0.822 -0.682 1.00 15.00 H new ATOM 0 HG2 ARG A 79 12.226 1.362 -0.909 1.00 15.00 H new ATOM 0 HG3 ARG A 79 10.869 2.148 -0.129 1.00 15.00 H new ATOM 0 HD2 ARG A 79 11.365 0.674 1.921 1.00 15.00 H new ATOM 0 HD3 ARG A 79 12.864 0.233 1.127 1.00 15.00 H new ATOM 0 HE ARG A 79 12.885 3.008 1.056 1.00 15.00 H new ATOM 0 HH11 ARG A 79 12.533 0.552 3.574 1.00 15.00 H new ATOM 0 HH12 ARG A 79 13.264 1.566 4.823 1.00 15.00 H new ATOM 0 HH21 ARG A 79 13.821 4.298 2.666 1.00 15.00 H new ATOM 0 HH22 ARG A 79 13.990 3.677 4.311 1.00 15.00 H new ATOM 1167 N ASN A 80 10.767 -1.475 -3.039 1.00 15.00 N ATOM 1168 CA ASN A 80 11.469 -2.096 -4.160 1.00 15.00 C ATOM 1169 C ASN A 80 10.625 -2.095 -5.436 1.00 15.00 C ATOM 1170 O ASN A 80 10.307 -3.155 -5.976 1.00 15.00 O ATOM 1171 CB ASN A 80 11.858 -3.534 -3.807 1.00 15.00 C ATOM 1172 CG ASN A 80 12.601 -3.625 -2.488 1.00 15.00 C ATOM 1173 OD1 ASN A 80 12.951 -2.609 -1.888 1.00 15.00 O ATOM 1174 ND2 ASN A 80 12.845 -4.847 -2.029 1.00 15.00 N ATOM 0 H ASN A 80 10.540 -2.120 -2.282 1.00 15.00 H new ATOM 0 HA ASN A 80 12.365 -1.505 -4.349 1.00 15.00 H new ATOM 0 HB2 ASN A 80 10.959 -4.149 -3.758 1.00 15.00 H new ATOM 0 HB3 ASN A 80 12.482 -3.944 -4.601 1.00 15.00 H new ATOM 0 HD21 ASN A 80 13.341 -4.971 -1.146 1.00 15.00 H new ATOM 0 HD22 ASN A 80 12.537 -5.662 -2.559 1.00 15.00 H new ATOM 1181 N THR A 81 10.275 -0.911 -5.927 1.00 15.00 N ATOM 1182 CA THR A 81 9.485 -0.808 -7.150 1.00 15.00 C ATOM 1183 C THR A 81 10.405 -0.633 -8.354 1.00 15.00 C ATOM 1184 O THR A 81 10.512 -1.522 -9.199 1.00 15.00 O ATOM 1185 CB THR A 81 8.494 0.355 -7.059 1.00 15.00 C ATOM 1186 OG1 THR A 81 8.712 1.114 -5.883 1.00 15.00 O ATOM 1187 CG2 THR A 81 7.048 -0.093 -7.055 1.00 15.00 C ATOM 0 H THR A 81 10.522 -0.017 -5.503 1.00 15.00 H new ATOM 0 HA THR A 81 8.916 -1.729 -7.274 1.00 15.00 H new ATOM 0 HB THR A 81 8.672 0.955 -7.952 1.00 15.00 H new ATOM 0 HG1 THR A 81 8.175 0.745 -5.151 1.00 15.00 H new ATOM 0 HG21 THR A 81 6.397 0.779 -6.989 1.00 15.00 H new ATOM 0 HG22 THR A 81 6.833 -0.637 -7.975 1.00 15.00 H new ATOM 0 HG23 THR A 81 6.871 -0.744 -6.199 1.00 15.00 H new ATOM 1195 N GLY A 82 11.081 0.510 -8.417 1.00 15.00 N ATOM 1196 CA GLY A 82 11.995 0.772 -9.506 1.00 15.00 C ATOM 1197 C GLY A 82 11.654 2.028 -10.279 1.00 15.00 C ATOM 1198 O GLY A 82 11.834 3.143 -9.789 1.00 15.00 O ATOM 0 H GLY A 82 11.009 1.260 -7.729 1.00 15.00 H new ATOM 0 HA2 GLY A 82 13.007 0.860 -9.110 1.00 15.00 H new ATOM 0 HA3 GLY A 82 11.992 -0.079 -10.187 1.00 15.00 H new ATOM 1202 N GLN A 83 11.176 1.838 -11.497 1.00 15.00 N ATOM 1203 CA GLN A 83 10.818 2.955 -12.372 1.00 15.00 C ATOM 1204 C GLN A 83 9.641 3.754 -11.815 1.00 15.00 C ATOM 1205 O GLN A 83 9.824 4.827 -11.240 1.00 15.00 O ATOM 1206 CB GLN A 83 10.497 2.475 -13.799 1.00 15.00 C ATOM 1207 CG GLN A 83 11.022 1.086 -14.133 1.00 15.00 C ATOM 1208 CD GLN A 83 10.015 -0.004 -13.818 1.00 15.00 C ATOM 1209 OE1 GLN A 83 8.806 0.219 -13.873 1.00 15.00 O ATOM 1210 NE2 GLN A 83 10.511 -1.189 -13.483 1.00 15.00 N ATOM 0 H GLN A 83 11.024 0.918 -11.909 1.00 15.00 H new ATOM 0 HA GLN A 83 11.689 3.610 -12.414 1.00 15.00 H new ATOM 0 HB2 GLN A 83 9.416 2.483 -13.936 1.00 15.00 H new ATOM 0 HB3 GLN A 83 10.914 3.188 -14.510 1.00 15.00 H new ATOM 0 HG2 GLN A 83 11.281 1.043 -15.191 1.00 15.00 H new ATOM 0 HG3 GLN A 83 11.939 0.903 -13.573 1.00 15.00 H new ATOM 0 HE21 GLN A 83 11.521 -1.328 -13.450 1.00 15.00 H new ATOM 0 HE22 GLN A 83 9.882 -1.960 -13.258 1.00 15.00 H new ATOM 1219 N VAL A 84 8.433 3.231 -12.004 1.00 15.00 N ATOM 1220 CA VAL A 84 7.224 3.897 -11.536 1.00 15.00 C ATOM 1221 C VAL A 84 6.597 3.138 -10.369 1.00 15.00 C ATOM 1222 O VAL A 84 6.848 1.948 -10.178 1.00 15.00 O ATOM 1223 CB VAL A 84 6.195 4.038 -12.681 1.00 15.00 C ATOM 1224 CG1 VAL A 84 4.851 4.535 -12.166 1.00 15.00 C ATOM 1225 CG2 VAL A 84 6.730 4.974 -13.753 1.00 15.00 C ATOM 0 H VAL A 84 8.266 2.344 -12.480 1.00 15.00 H new ATOM 0 HA VAL A 84 7.509 4.892 -11.193 1.00 15.00 H new ATOM 0 HB VAL A 84 6.038 3.050 -13.115 1.00 15.00 H new ATOM 0 HG11 VAL A 84 4.152 4.622 -12.998 1.00 15.00 H new ATOM 0 HG12 VAL A 84 4.458 3.829 -11.435 1.00 15.00 H new ATOM 0 HG13 VAL A 84 4.979 5.510 -11.696 1.00 15.00 H new ATOM 0 HG21 VAL A 84 5.997 5.066 -14.555 1.00 15.00 H new ATOM 0 HG22 VAL A 84 6.917 5.956 -13.318 1.00 15.00 H new ATOM 0 HG23 VAL A 84 7.660 4.572 -14.156 1.00 15.00 H new ATOM 1235 N VAL A 85 5.775 3.833 -9.596 1.00 15.00 N ATOM 1236 CA VAL A 85 5.111 3.228 -8.454 1.00 15.00 C ATOM 1237 C VAL A 85 3.689 2.809 -8.825 1.00 15.00 C ATOM 1238 O VAL A 85 2.722 3.515 -8.539 1.00 15.00 O ATOM 1239 CB VAL A 85 5.090 4.206 -7.255 1.00 15.00 C ATOM 1240 CG1 VAL A 85 4.020 3.834 -6.240 1.00 15.00 C ATOM 1241 CG2 VAL A 85 6.461 4.260 -6.595 1.00 15.00 C ATOM 0 H VAL A 85 5.553 4.818 -9.741 1.00 15.00 H new ATOM 0 HA VAL A 85 5.670 2.339 -8.162 1.00 15.00 H new ATOM 0 HB VAL A 85 4.842 5.196 -7.639 1.00 15.00 H new ATOM 0 HG11 VAL A 85 4.039 4.545 -5.414 1.00 15.00 H new ATOM 0 HG12 VAL A 85 3.041 3.859 -6.718 1.00 15.00 H new ATOM 0 HG13 VAL A 85 4.213 2.831 -5.859 1.00 15.00 H new ATOM 0 HG21 VAL A 85 6.432 4.952 -5.753 1.00 15.00 H new ATOM 0 HG22 VAL A 85 6.733 3.266 -6.239 1.00 15.00 H new ATOM 0 HG23 VAL A 85 7.200 4.601 -7.320 1.00 15.00 H new ATOM 1251 N HIS A 86 3.577 1.648 -9.466 1.00 15.00 N ATOM 1252 CA HIS A 86 2.282 1.118 -9.879 1.00 15.00 C ATOM 1253 C HIS A 86 1.815 0.044 -8.903 1.00 15.00 C ATOM 1254 O HIS A 86 2.046 -1.146 -9.116 1.00 15.00 O ATOM 1255 CB HIS A 86 2.368 0.540 -11.293 1.00 15.00 C ATOM 1256 CG HIS A 86 1.089 0.650 -12.063 1.00 15.00 C ATOM 1257 ND1 HIS A 86 -0.116 0.982 -11.480 1.00 15.00 N ATOM 1258 CD2 HIS A 86 0.830 0.471 -13.380 1.00 15.00 C ATOM 1259 CE1 HIS A 86 -1.060 1.001 -12.404 1.00 15.00 C ATOM 1260 NE2 HIS A 86 -0.512 0.696 -13.565 1.00 15.00 N ATOM 0 H HIS A 86 4.370 1.056 -9.711 1.00 15.00 H new ATOM 0 HA HIS A 86 1.559 1.934 -9.878 1.00 15.00 H new ATOM 0 HB2 HIS A 86 3.157 1.055 -11.840 1.00 15.00 H new ATOM 0 HB3 HIS A 86 2.656 -0.509 -11.231 1.00 15.00 H new ATOM 0 HD2 HIS A 86 1.546 0.202 -14.143 1.00 15.00 H new ATOM 0 HE1 HIS A 86 -2.103 1.228 -12.237 1.00 15.00 H new ATOM 0 HE2 HIS A 86 -1.005 0.637 -14.456 1.00 15.00 H new ATOM 1269 N LEU A 87 1.176 0.477 -7.823 1.00 15.00 N ATOM 1270 CA LEU A 87 0.695 -0.440 -6.799 1.00 15.00 C ATOM 1271 C LEU A 87 -0.810 -0.659 -6.894 1.00 15.00 C ATOM 1272 O LEU A 87 -1.591 0.276 -6.746 1.00 15.00 O ATOM 1273 CB LEU A 87 1.046 0.104 -5.415 1.00 15.00 C ATOM 1274 CG LEU A 87 2.012 -0.759 -4.611 1.00 15.00 C ATOM 1275 CD1 LEU A 87 3.118 0.093 -4.003 1.00 15.00 C ATOM 1276 CD2 LEU A 87 1.260 -1.519 -3.529 1.00 15.00 C ATOM 0 H LEU A 87 0.979 1.460 -7.634 1.00 15.00 H new ATOM 0 HA LEU A 87 1.183 -1.401 -6.959 1.00 15.00 H new ATOM 0 HB2 LEU A 87 1.479 1.097 -5.531 1.00 15.00 H new ATOM 0 HB3 LEU A 87 0.126 0.222 -4.843 1.00 15.00 H new ATOM 0 HG LEU A 87 2.475 -1.481 -5.284 1.00 15.00 H new ATOM 0 HD11 LEU A 87 3.796 -0.543 -3.434 1.00 15.00 H new ATOM 0 HD12 LEU A 87 3.671 0.593 -4.798 1.00 15.00 H new ATOM 0 HD13 LEU A 87 2.680 0.840 -3.341 1.00 15.00 H new ATOM 0 HD21 LEU A 87 1.960 -2.132 -2.961 1.00 15.00 H new ATOM 0 HD22 LEU A 87 0.772 -0.811 -2.859 1.00 15.00 H new ATOM 0 HD23 LEU A 87 0.508 -2.160 -3.990 1.00 15.00 H new ATOM 1288 N LEU A 88 -1.210 -1.907 -7.111 1.00 15.00 N ATOM 1289 CA LEU A 88 -2.625 -2.251 -7.191 1.00 15.00 C ATOM 1290 C LEU A 88 -3.111 -2.719 -5.826 1.00 15.00 C ATOM 1291 O LEU A 88 -2.845 -3.847 -5.414 1.00 15.00 O ATOM 1292 CB LEU A 88 -2.852 -3.337 -8.244 1.00 15.00 C ATOM 1293 CG LEU A 88 -2.984 -2.828 -9.682 1.00 15.00 C ATOM 1294 CD1 LEU A 88 -1.959 -1.738 -9.963 1.00 15.00 C ATOM 1295 CD2 LEU A 88 -2.827 -3.976 -10.668 1.00 15.00 C ATOM 0 H LEU A 88 -0.576 -2.696 -7.234 1.00 15.00 H new ATOM 0 HA LEU A 88 -3.192 -1.369 -7.488 1.00 15.00 H new ATOM 0 HB2 LEU A 88 -2.023 -4.044 -8.200 1.00 15.00 H new ATOM 0 HB3 LEU A 88 -3.756 -3.889 -7.986 1.00 15.00 H new ATOM 0 HG LEU A 88 -3.979 -2.400 -9.805 1.00 15.00 H new ATOM 0 HD11 LEU A 88 -2.070 -1.390 -10.990 1.00 15.00 H new ATOM 0 HD12 LEU A 88 -2.117 -0.905 -9.279 1.00 15.00 H new ATOM 0 HD13 LEU A 88 -0.955 -2.138 -9.822 1.00 15.00 H new ATOM 0 HD21 LEU A 88 -2.923 -3.597 -11.686 1.00 15.00 H new ATOM 0 HD22 LEU A 88 -1.845 -4.432 -10.542 1.00 15.00 H new ATOM 0 HD23 LEU A 88 -3.600 -4.722 -10.484 1.00 15.00 H new ATOM 1307 N LEU A 89 -3.800 -1.833 -5.118 1.00 15.00 N ATOM 1308 CA LEU A 89 -4.295 -2.143 -3.784 1.00 15.00 C ATOM 1309 C LEU A 89 -5.799 -2.386 -3.776 1.00 15.00 C ATOM 1310 O LEU A 89 -6.419 -2.597 -4.818 1.00 15.00 O ATOM 1311 CB LEU A 89 -3.967 -1.006 -2.813 1.00 15.00 C ATOM 1312 CG LEU A 89 -2.915 -0.018 -3.298 1.00 15.00 C ATOM 1313 CD1 LEU A 89 -2.916 1.227 -2.431 1.00 15.00 C ATOM 1314 CD2 LEU A 89 -1.551 -0.671 -3.292 1.00 15.00 C ATOM 0 H LEU A 89 -4.028 -0.894 -5.446 1.00 15.00 H new ATOM 0 HA LEU A 89 -3.797 -3.059 -3.466 1.00 15.00 H new ATOM 0 HB2 LEU A 89 -4.884 -0.458 -2.598 1.00 15.00 H new ATOM 0 HB3 LEU A 89 -3.627 -1.440 -1.873 1.00 15.00 H new ATOM 0 HG LEU A 89 -3.155 0.279 -4.319 1.00 15.00 H new ATOM 0 HD11 LEU A 89 -2.158 1.922 -2.792 1.00 15.00 H new ATOM 0 HD12 LEU A 89 -3.896 1.702 -2.478 1.00 15.00 H new ATOM 0 HD13 LEU A 89 -2.695 0.952 -1.400 1.00 15.00 H new ATOM 0 HD21 LEU A 89 -0.804 0.043 -3.640 1.00 15.00 H new ATOM 0 HD22 LEU A 89 -1.304 -0.989 -2.279 1.00 15.00 H new ATOM 0 HD23 LEU A 89 -1.560 -1.538 -3.952 1.00 15.00 H new ATOM 1326 N GLU A 90 -6.370 -2.333 -2.578 1.00 15.00 N ATOM 1327 CA GLU A 90 -7.800 -2.523 -2.387 1.00 15.00 C ATOM 1328 C GLU A 90 -8.312 -1.557 -1.323 1.00 15.00 C ATOM 1329 O GLU A 90 -7.721 -1.434 -0.251 1.00 15.00 O ATOM 1330 CB GLU A 90 -8.097 -3.978 -1.995 1.00 15.00 C ATOM 1331 CG GLU A 90 -9.209 -4.140 -0.968 1.00 15.00 C ATOM 1332 CD GLU A 90 -9.740 -5.559 -0.902 1.00 15.00 C ATOM 1333 OE1 GLU A 90 -9.037 -6.478 -1.374 1.00 15.00 O ATOM 1334 OE2 GLU A 90 -10.857 -5.752 -0.379 1.00 15.00 O ATOM 0 H GLU A 90 -5.855 -2.158 -1.715 1.00 15.00 H new ATOM 0 HA GLU A 90 -8.317 -2.314 -3.323 1.00 15.00 H new ATOM 0 HB2 GLU A 90 -8.364 -4.536 -2.893 1.00 15.00 H new ATOM 0 HB3 GLU A 90 -7.186 -4.428 -1.600 1.00 15.00 H new ATOM 0 HG2 GLU A 90 -8.836 -3.849 0.014 1.00 15.00 H new ATOM 0 HG3 GLU A 90 -10.026 -3.461 -1.213 1.00 15.00 H new ATOM 1341 N LYS A 91 -9.407 -0.868 -1.627 1.00 15.00 N ATOM 1342 CA LYS A 91 -9.989 0.093 -0.695 1.00 15.00 C ATOM 1343 C LYS A 91 -10.110 -0.503 0.706 1.00 15.00 C ATOM 1344 O LYS A 91 -11.084 -1.188 1.019 1.00 15.00 O ATOM 1345 CB LYS A 91 -11.360 0.552 -1.197 1.00 15.00 C ATOM 1346 CG LYS A 91 -11.497 2.063 -1.299 1.00 15.00 C ATOM 1347 CD LYS A 91 -11.144 2.748 0.013 1.00 15.00 C ATOM 1348 CE LYS A 91 -10.865 4.229 -0.190 1.00 15.00 C ATOM 1349 NZ LYS A 91 -9.790 4.460 -1.195 1.00 15.00 N ATOM 0 H LYS A 91 -9.909 -0.957 -2.510 1.00 15.00 H new ATOM 0 HA LYS A 91 -9.325 0.956 -0.638 1.00 15.00 H new ATOM 0 HB2 LYS A 91 -11.545 0.112 -2.177 1.00 15.00 H new ATOM 0 HB3 LYS A 91 -12.130 0.170 -0.526 1.00 15.00 H new ATOM 0 HG2 LYS A 91 -10.847 2.435 -2.091 1.00 15.00 H new ATOM 0 HG3 LYS A 91 -12.519 2.318 -1.580 1.00 15.00 H new ATOM 0 HD2 LYS A 91 -11.963 2.625 0.721 1.00 15.00 H new ATOM 0 HD3 LYS A 91 -10.269 2.268 0.451 1.00 15.00 H new ATOM 0 HE2 LYS A 91 -11.778 4.729 -0.514 1.00 15.00 H new ATOM 0 HE3 LYS A 91 -10.576 4.677 0.760 1.00 15.00 H new ATOM 0 HZ1 LYS A 91 -9.177 5.237 -0.875 1.00 15.00 H new ATOM 0 HZ2 LYS A 91 -9.224 3.594 -1.303 1.00 15.00 H new ATOM 0 HZ3 LYS A 91 -10.218 4.711 -2.109 1.00 15.00 H new ATOM 1363 N GLY A 92 -9.109 -0.241 1.540 1.00 15.00 N ATOM 1364 CA GLY A 92 -9.112 -0.759 2.895 1.00 15.00 C ATOM 1365 C GLY A 92 -10.254 -0.213 3.728 1.00 15.00 C ATOM 1366 O GLY A 92 -10.879 0.782 3.362 1.00 15.00 O ATOM 0 H GLY A 92 -8.293 0.323 1.300 1.00 15.00 H new ATOM 0 HA2 GLY A 92 -9.178 -1.847 2.864 1.00 15.00 H new ATOM 0 HA3 GLY A 92 -8.166 -0.511 3.376 1.00 15.00 H new