USER MOD reduce.3.24.130724 H: found=0, std=0, add=661, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 664 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 30 THR OG1 : rot -80:sc= 0.83 USER MOD Set 1.2: A 31 SER OG : rot 120:sc= -0.143 USER MOD Set 2.1: A 27 ASN : amide:sc= -1.83! C(o=-1.1!,f=-3.8!) USER MOD Set 2.2: A 45 LYS NZ :NH3+ -130:sc= 0.763 (180deg=-0.0276) USER MOD Single : A 3 GLN : amide:sc= -8.64! C(o=-8.6!,f=-13!) USER MOD Single : A 4 GLN : amide:sc= -0.434! X(o=-0.43!,f=-0.88) USER MOD Single : A 5 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.131) USER MOD Single : A 11 LYS NZ :NH3+ -164:sc= -3! (180deg=-3.76!) USER MOD Single : A 12 THR OG1 : rot 170:sc= 0.0141 USER MOD Single : A 15 GLN : amide:sc= -0.169 K(o=-0.17,f=-2.4!) USER MOD Single : A 24 GLN : amide:sc= -5.14! C(o=-5.1!,f=-9.1!) USER MOD Single : A 37 LYS NZ :NH3+ -130:sc= -2.56! (180deg=-4.11!) USER MOD Single : A 40 LYS NZ :NH3+ 162:sc= -0.102 (180deg=-0.779!) USER MOD Single : A 41 LYS NZ :NH3+ -154:sc= 0.158 (180deg=-0.546) USER MOD Single : A 43 ASN : amide:sc= -1.31! C(o=-1.3!,f=-2.2!) USER MOD Single : A 46 SER OG : rot 180:sc= -0.251 USER MOD Single : A 48 MET CE :methyl -163:sc= -0.138 (180deg=-0.787) USER MOD Single : A 51 MET CE :methyl 173:sc= -5.68! (180deg=-5.86!) USER MOD Single : A 52 SER OG : rot -120:sc= -3.08! USER MOD Single : A 56 SER OG : rot 72:sc= -2.07! USER MOD Single : A 57 THR OG1 : rot -110:sc= -4.41! USER MOD Single : A 59 THR OG1 : rot 69:sc= 0.853 USER MOD Single : A 62 THR OG1 : rot 43:sc= -3.84! USER MOD Single : A 66 GLN :FLIP amide:sc= -3.32! C(o=-5.1!,f=-3.3!) USER MOD Single : A 71 GLN :FLIP amide:sc= -4.42! C(o=-6!,f=-4.4!) USER MOD Single : A 76 LYS NZ :NH3+ 176:sc= 0.636 (180deg=0.63) USER MOD Single : A 80 TYR OH : rot 177:sc= -0.567! USER MOD Single : A 82 GLN :FLIP amide:sc= -3.88! C(o=-5.4!,f=-3.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 2 -17.120 5.770 -2.712 1.00 0.00 N ATOM 2 CA VAL A 2 -17.564 5.124 -1.480 1.00 0.00 C ATOM 3 C VAL A 2 -16.435 4.295 -0.879 1.00 0.00 C ATOM 4 O VAL A 2 -15.757 3.563 -1.597 1.00 0.00 O ATOM 5 CB VAL A 2 -18.827 4.292 -1.720 1.00 0.00 C ATOM 6 CG1 VAL A 2 -19.951 5.199 -2.215 1.00 0.00 C ATOM 7 CG2 VAL A 2 -18.589 3.188 -2.747 1.00 0.00 C ATOM 0 HA VAL A 2 -17.827 5.895 -0.756 1.00 0.00 H new ATOM 0 HB VAL A 2 -19.102 3.826 -0.774 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -20.849 4.605 -2.385 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -20.158 5.964 -1.466 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -19.649 5.676 -3.147 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -19.508 2.620 -2.890 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -18.286 3.632 -3.695 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -17.803 2.523 -2.390 1.00 0.00 H new ATOM 19 N GLN A 3 -16.201 4.445 0.424 1.00 0.00 N ATOM 20 CA GLN A 3 -15.091 3.796 1.087 1.00 0.00 C ATOM 21 C GLN A 3 -15.549 2.953 2.268 1.00 0.00 C ATOM 22 O GLN A 3 -16.286 3.428 3.129 1.00 0.00 O ATOM 23 CB GLN A 3 -14.155 4.890 1.587 1.00 0.00 C ATOM 24 CG GLN A 3 -12.869 4.306 2.169 1.00 0.00 C ATOM 25 CD GLN A 3 -12.048 5.364 2.890 1.00 0.00 C ATOM 26 OE1 GLN A 3 -11.251 5.033 3.757 1.00 0.00 O ATOM 27 NE2 GLN A 3 -12.214 6.638 2.543 1.00 0.00 N ATOM 0 H GLN A 3 -16.777 5.019 1.040 1.00 0.00 H new ATOM 0 HA GLN A 3 -14.596 3.128 0.382 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -13.910 5.564 0.766 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -14.662 5.484 2.347 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -13.115 3.502 2.862 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -12.274 3.866 1.369 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -12.886 6.885 1.816 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -11.669 7.367 3.004 1.00 0.00 H new ATOM 36 N GLN A 4 -15.074 1.713 2.316 1.00 0.00 N ATOM 37 CA GLN A 4 -15.295 0.787 3.416 1.00 0.00 C ATOM 38 C GLN A 4 -14.036 -0.057 3.549 1.00 0.00 C ATOM 39 O GLN A 4 -13.199 -0.035 2.647 1.00 0.00 O ATOM 40 CB GLN A 4 -16.518 -0.091 3.149 1.00 0.00 C ATOM 41 CG GLN A 4 -17.807 0.656 3.488 1.00 0.00 C ATOM 42 CD GLN A 4 -17.875 0.987 4.972 1.00 0.00 C ATOM 43 OE1 GLN A 4 -18.394 0.213 5.767 1.00 0.00 O ATOM 44 NE2 GLN A 4 -17.337 2.137 5.361 1.00 0.00 N ATOM 0 H GLN A 4 -14.508 1.315 1.567 1.00 0.00 H new ATOM 0 HA GLN A 4 -15.492 1.328 4.342 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -16.532 -0.394 2.102 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -16.454 -1.002 3.743 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -17.862 1.575 2.904 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -18.667 0.048 3.208 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -16.912 2.760 4.674 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -17.348 2.398 6.347 1.00 0.00 H new ATOM 53 N LYS A 5 -13.884 -0.795 4.647 1.00 0.00 N ATOM 54 CA LYS A 5 -12.716 -1.626 4.833 1.00 0.00 C ATOM 55 C LYS A 5 -12.989 -2.746 5.824 1.00 0.00 C ATOM 56 O LYS A 5 -13.828 -2.603 6.710 1.00 0.00 O ATOM 57 CB LYS A 5 -11.542 -0.779 5.315 1.00 0.00 C ATOM 58 CG LYS A 5 -11.874 0.113 6.511 1.00 0.00 C ATOM 59 CD LYS A 5 -12.477 1.440 6.051 1.00 0.00 C ATOM 60 CE LYS A 5 -12.377 2.466 7.178 1.00 0.00 C ATOM 61 NZ LYS A 5 -13.068 2.003 8.393 1.00 0.00 N ATOM 0 H LYS A 5 -14.557 -0.829 5.413 1.00 0.00 H new ATOM 0 HA LYS A 5 -12.466 -2.076 3.872 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -10.717 -1.438 5.584 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -11.196 -0.153 4.492 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -12.575 -0.401 7.169 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -10.971 0.301 7.091 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -11.952 1.803 5.168 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -13.520 1.298 5.766 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -11.328 2.657 7.405 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -12.810 3.411 6.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -13.158 2.793 9.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -14.014 1.652 8.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -12.520 1.236 8.833 1.00 0.00 H new ATOM 75 N VAL A 6 -12.255 -3.846 5.676 1.00 0.00 N ATOM 76 CA VAL A 6 -12.335 -4.992 6.566 1.00 0.00 C ATOM 77 C VAL A 6 -10.919 -5.355 7.002 1.00 0.00 C ATOM 78 O VAL A 6 -10.023 -5.461 6.170 1.00 0.00 O ATOM 79 CB VAL A 6 -13.058 -6.151 5.875 1.00 0.00 C ATOM 80 CG1 VAL A 6 -14.552 -5.844 5.850 1.00 0.00 C ATOM 81 CG2 VAL A 6 -12.574 -6.342 4.438 1.00 0.00 C ATOM 0 H VAL A 6 -11.579 -3.964 4.922 1.00 0.00 H new ATOM 0 HA VAL A 6 -12.919 -4.756 7.455 1.00 0.00 H new ATOM 0 HB VAL A 6 -12.849 -7.066 6.430 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -15.083 -6.660 5.361 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -14.918 -5.734 6.871 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -14.724 -4.918 5.301 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -13.110 -7.174 3.981 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -12.761 -5.432 3.867 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -11.505 -6.557 4.440 1.00 0.00 H new ATOM 91 N GLU A 7 -10.680 -5.485 8.306 1.00 0.00 N ATOM 92 CA GLU A 7 -9.335 -5.747 8.790 1.00 0.00 C ATOM 93 C GLU A 7 -9.004 -7.229 8.856 1.00 0.00 C ATOM 94 O GLU A 7 -9.874 -8.075 9.049 1.00 0.00 O ATOM 95 CB GLU A 7 -9.136 -5.052 10.138 1.00 0.00 C ATOM 96 CG GLU A 7 -7.729 -5.249 10.703 1.00 0.00 C ATOM 97 CD GLU A 7 -7.418 -4.214 11.775 1.00 0.00 C ATOM 98 OE1 GLU A 7 -7.161 -3.054 11.382 1.00 0.00 O ATOM 99 OE2 GLU A 7 -7.435 -4.606 12.960 1.00 0.00 O ATOM 0 H GLU A 7 -11.392 -5.414 9.033 1.00 0.00 H new ATOM 0 HA GLU A 7 -8.631 -5.332 8.069 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -9.331 -3.986 10.024 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -9.866 -5.435 10.851 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -7.640 -6.251 11.124 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -6.997 -5.175 9.899 1.00 0.00 H new ATOM 106 N VAL A 8 -7.714 -7.505 8.687 1.00 0.00 N ATOM 107 CA VAL A 8 -7.131 -8.834 8.685 1.00 0.00 C ATOM 108 C VAL A 8 -5.668 -8.744 9.084 1.00 0.00 C ATOM 109 O VAL A 8 -5.122 -7.647 9.174 1.00 0.00 O ATOM 110 CB VAL A 8 -7.206 -9.401 7.273 1.00 0.00 C ATOM 111 CG1 VAL A 8 -8.636 -9.816 7.006 1.00 0.00 C ATOM 112 CG2 VAL A 8 -6.782 -8.355 6.243 1.00 0.00 C ATOM 0 H VAL A 8 -7.019 -6.772 8.542 1.00 0.00 H new ATOM 0 HA VAL A 8 -7.672 -9.471 9.385 1.00 0.00 H new ATOM 0 HB VAL A 8 -6.532 -10.254 7.190 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -8.714 -10.226 5.999 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -8.936 -10.573 7.730 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -9.290 -8.948 7.096 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -6.844 -8.783 5.243 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -7.443 -7.491 6.309 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -5.756 -8.044 6.442 1.00 0.00 H new ATOM 122 N ARG A 9 -4.997 -9.874 9.296 1.00 0.00 N ATOM 123 CA ARG A 9 -3.582 -9.757 9.580 1.00 0.00 C ATOM 124 C ARG A 9 -2.847 -9.677 8.260 1.00 0.00 C ATOM 125 O ARG A 9 -3.026 -10.529 7.393 1.00 0.00 O ATOM 126 CB ARG A 9 -3.036 -10.875 10.467 1.00 0.00 C ATOM 127 CG ARG A 9 -1.525 -10.675 10.615 1.00 0.00 C ATOM 128 CD ARG A 9 -0.780 -11.418 9.499 1.00 0.00 C ATOM 129 NE ARG A 9 -0.825 -12.875 9.655 1.00 0.00 N ATOM 130 CZ ARG A 9 -1.568 -13.692 8.895 1.00 0.00 C ATOM 131 NH1 ARG A 9 -2.607 -13.220 8.199 1.00 0.00 N ATOM 132 NH2 ARG A 9 -1.245 -14.988 8.811 1.00 0.00 N ATOM 0 H ARG A 9 -5.383 -10.818 9.278 1.00 0.00 H new ATOM 0 HA ARG A 9 -3.422 -8.850 10.163 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -3.519 -10.855 11.444 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -3.249 -11.849 10.026 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -1.286 -9.612 10.577 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -1.196 -11.041 11.588 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -1.214 -11.147 8.537 1.00 0.00 H new ATOM 0 HD3 ARG A 9 0.260 -11.091 9.483 1.00 0.00 H new ATOM 0 HE ARG A 9 -0.254 -13.294 10.389 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -2.842 -12.228 8.243 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -3.165 -13.851 7.624 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -0.439 -15.347 9.323 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -1.805 -15.617 8.235 1.00 0.00 H new ATOM 146 N LEU A 10 -1.999 -8.665 8.151 1.00 0.00 N ATOM 147 CA LEU A 10 -1.160 -8.336 7.023 1.00 0.00 C ATOM 148 C LEU A 10 -0.125 -9.434 6.755 1.00 0.00 C ATOM 149 O LEU A 10 1.078 -9.240 6.910 1.00 0.00 O ATOM 150 CB LEU A 10 -0.522 -7.011 7.418 1.00 0.00 C ATOM 151 CG LEU A 10 0.331 -6.369 6.346 1.00 0.00 C ATOM 152 CD1 LEU A 10 -0.451 -6.226 5.044 1.00 0.00 C ATOM 153 CD2 LEU A 10 0.681 -5.003 6.921 1.00 0.00 C ATOM 0 H LEU A 10 -1.875 -8.002 8.916 1.00 0.00 H new ATOM 0 HA LEU A 10 -1.714 -8.256 6.088 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -1.311 -6.314 7.699 1.00 0.00 H new ATOM 0 HB3 LEU A 10 0.093 -7.170 8.304 1.00 0.00 H new ATOM 0 HG LEU A 10 1.214 -6.960 6.103 1.00 0.00 H new ATOM 0 HD11 LEU A 10 0.183 -5.762 4.288 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -0.766 -7.211 4.699 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -1.329 -5.603 5.214 1.00 0.00 H new ATOM 0 HD21 LEU A 10 1.303 -4.458 6.211 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -0.234 -4.441 7.108 1.00 0.00 H new ATOM 0 HD23 LEU A 10 1.226 -5.131 7.857 1.00 0.00 H new ATOM 165 N LYS A 11 -0.601 -10.583 6.290 1.00 0.00 N ATOM 166 CA LYS A 11 0.141 -11.811 6.053 1.00 0.00 C ATOM 167 C LYS A 11 1.081 -11.721 4.850 1.00 0.00 C ATOM 168 O LYS A 11 1.960 -12.565 4.666 1.00 0.00 O ATOM 169 CB LYS A 11 -0.928 -12.863 5.824 1.00 0.00 C ATOM 170 CG LYS A 11 -0.339 -14.199 5.421 1.00 0.00 C ATOM 171 CD LYS A 11 -0.285 -14.303 3.898 1.00 0.00 C ATOM 172 CE LYS A 11 -1.463 -13.520 3.337 1.00 0.00 C ATOM 173 NZ LYS A 11 -2.063 -14.110 2.132 1.00 0.00 N ATOM 0 H LYS A 11 -1.588 -10.686 6.052 1.00 0.00 H new ATOM 0 HA LYS A 11 0.794 -12.039 6.895 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -1.515 -12.986 6.734 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -1.612 -12.520 5.048 1.00 0.00 H new ATOM 0 HG2 LYS A 11 0.663 -14.306 5.838 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -0.942 -15.010 5.829 1.00 0.00 H new ATOM 0 HD2 LYS A 11 0.655 -13.901 3.521 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -0.335 -15.346 3.584 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -2.230 -13.438 4.107 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -1.134 -12.507 3.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -2.662 -13.403 1.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -1.310 -14.414 1.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -2.642 -14.932 2.399 1.00 0.00 H new ATOM 187 N THR A 12 0.840 -10.724 4.009 1.00 0.00 N ATOM 188 CA THR A 12 1.657 -10.428 2.852 1.00 0.00 C ATOM 189 C THR A 12 2.693 -9.334 3.141 1.00 0.00 C ATOM 190 O THR A 12 3.568 -9.124 2.297 1.00 0.00 O ATOM 191 CB THR A 12 0.733 -10.023 1.701 1.00 0.00 C ATOM 192 OG1 THR A 12 -0.426 -9.364 2.184 1.00 0.00 O ATOM 193 CG2 THR A 12 0.275 -11.294 0.994 1.00 0.00 C ATOM 0 H THR A 12 0.051 -10.087 4.120 1.00 0.00 H new ATOM 0 HA THR A 12 2.225 -11.318 2.580 1.00 0.00 H new ATOM 0 HB THR A 12 1.277 -9.353 1.035 1.00 0.00 H new ATOM 0 HG1 THR A 12 -0.919 -8.975 1.431 1.00 0.00 H new ATOM 0 HG21 THR A 12 -0.386 -11.033 0.168 1.00 0.00 H new ATOM 0 HG22 THR A 12 1.143 -11.829 0.609 1.00 0.00 H new ATOM 0 HG23 THR A 12 -0.260 -11.930 1.699 1.00 0.00 H new ATOM 201 N GLY A 13 2.527 -8.606 4.265 1.00 0.00 N ATOM 202 CA GLY A 13 3.355 -7.506 4.766 1.00 0.00 C ATOM 203 C GLY A 13 4.000 -6.675 3.669 1.00 0.00 C ATOM 204 O GLY A 13 5.144 -6.247 3.778 1.00 0.00 O ATOM 0 H GLY A 13 1.744 -8.793 4.892 1.00 0.00 H new ATOM 0 HA2 GLY A 13 2.741 -6.855 5.388 1.00 0.00 H new ATOM 0 HA3 GLY A 13 4.137 -7.914 5.407 1.00 0.00 H new ATOM 208 N LEU A 14 3.245 -6.472 2.592 1.00 0.00 N ATOM 209 CA LEU A 14 3.622 -5.726 1.413 1.00 0.00 C ATOM 210 C LEU A 14 5.068 -6.018 0.999 1.00 0.00 C ATOM 211 O LEU A 14 5.813 -5.135 0.579 1.00 0.00 O ATOM 212 CB LEU A 14 3.293 -4.255 1.610 1.00 0.00 C ATOM 213 CG LEU A 14 1.825 -3.980 1.256 1.00 0.00 C ATOM 214 CD1 LEU A 14 1.616 -3.893 -0.250 1.00 0.00 C ATOM 215 CD2 LEU A 14 0.888 -5.072 1.769 1.00 0.00 C ATOM 0 H LEU A 14 2.300 -6.850 2.524 1.00 0.00 H new ATOM 0 HA LEU A 14 3.032 -6.056 0.558 1.00 0.00 H new ATOM 0 HB2 LEU A 14 3.483 -3.969 2.644 1.00 0.00 H new ATOM 0 HB3 LEU A 14 3.944 -3.644 0.985 1.00 0.00 H new ATOM 0 HG LEU A 14 1.591 -3.030 1.736 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.565 -3.697 -0.461 1.00 0.00 H new ATOM 0 HD12 LEU A 14 2.224 -3.084 -0.656 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.910 -4.835 -0.713 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.138 -4.830 1.493 1.00 0.00 H new ATOM 0 HD22 LEU A 14 1.167 -6.028 1.327 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.966 -5.138 2.854 1.00 0.00 H new ATOM 227 N GLN A 15 5.428 -7.298 1.020 1.00 0.00 N ATOM 228 CA GLN A 15 6.786 -7.741 0.753 1.00 0.00 C ATOM 229 C GLN A 15 7.046 -7.920 -0.730 1.00 0.00 C ATOM 230 O GLN A 15 7.418 -8.995 -1.196 1.00 0.00 O ATOM 231 CB GLN A 15 7.033 -9.003 1.558 1.00 0.00 C ATOM 232 CG GLN A 15 6.844 -8.514 2.984 1.00 0.00 C ATOM 233 CD GLN A 15 8.161 -8.079 3.600 1.00 0.00 C ATOM 234 OE1 GLN A 15 8.819 -7.167 3.106 1.00 0.00 O ATOM 235 NE2 GLN A 15 8.571 -8.752 4.666 1.00 0.00 N ATOM 0 H GLN A 15 4.780 -8.059 1.224 1.00 0.00 H new ATOM 0 HA GLN A 15 7.497 -6.977 1.066 1.00 0.00 H new ATOM 0 HB2 GLN A 15 6.328 -9.794 1.302 1.00 0.00 H new ATOM 0 HB3 GLN A 15 8.034 -9.402 1.393 1.00 0.00 H new ATOM 0 HG2 GLN A 15 6.143 -7.680 2.994 1.00 0.00 H new ATOM 0 HG3 GLN A 15 6.403 -9.308 3.587 1.00 0.00 H new ATOM 0 HE21 GLN A 15 7.996 -9.503 5.047 1.00 0.00 H new ATOM 0 HE22 GLN A 15 9.462 -8.518 5.105 1.00 0.00 H new ATOM 244 N ALA A 16 6.838 -6.831 -1.466 1.00 0.00 N ATOM 245 CA ALA A 16 7.039 -6.735 -2.904 1.00 0.00 C ATOM 246 C ALA A 16 6.097 -7.654 -3.680 1.00 0.00 C ATOM 247 O ALA A 16 5.154 -7.176 -4.296 1.00 0.00 O ATOM 248 CB ALA A 16 8.501 -7.021 -3.246 1.00 0.00 C ATOM 0 H ALA A 16 6.511 -5.956 -1.056 1.00 0.00 H new ATOM 0 HA ALA A 16 6.799 -5.717 -3.210 1.00 0.00 H new ATOM 0 HB1 ALA A 16 8.644 -6.947 -4.324 1.00 0.00 H new ATOM 0 HB2 ALA A 16 9.141 -6.295 -2.745 1.00 0.00 H new ATOM 0 HB3 ALA A 16 8.763 -8.025 -2.913 1.00 0.00 H new ATOM 254 N ARG A 17 6.329 -8.964 -3.641 1.00 0.00 N ATOM 255 CA ARG A 17 5.535 -9.937 -4.376 1.00 0.00 C ATOM 256 C ARG A 17 4.108 -10.040 -3.839 1.00 0.00 C ATOM 257 O ARG A 17 3.154 -9.742 -4.560 1.00 0.00 O ATOM 258 CB ARG A 17 6.234 -11.296 -4.372 1.00 0.00 C ATOM 259 CG ARG A 17 7.626 -11.225 -5.004 1.00 0.00 C ATOM 260 CD ARG A 17 7.569 -10.903 -6.499 1.00 0.00 C ATOM 261 NE ARG A 17 7.321 -9.477 -6.742 1.00 0.00 N ATOM 262 CZ ARG A 17 6.188 -8.970 -7.245 1.00 0.00 C ATOM 263 NH1 ARG A 17 5.147 -9.767 -7.510 1.00 0.00 N ATOM 264 NH2 ARG A 17 6.099 -7.656 -7.469 1.00 0.00 N ATOM 0 H ARG A 17 7.081 -9.381 -3.092 1.00 0.00 H new ATOM 0 HA ARG A 17 5.452 -9.592 -5.406 1.00 0.00 H new ATOM 0 HB2 ARG A 17 6.319 -11.657 -3.347 1.00 0.00 H new ATOM 0 HB3 ARG A 17 5.625 -12.019 -4.915 1.00 0.00 H new ATOM 0 HG2 ARG A 17 8.216 -10.464 -4.493 1.00 0.00 H new ATOM 0 HG3 ARG A 17 8.138 -12.176 -4.859 1.00 0.00 H new ATOM 0 HD2 ARG A 17 8.509 -11.193 -6.969 1.00 0.00 H new ATOM 0 HD3 ARG A 17 6.782 -11.494 -6.968 1.00 0.00 H new ATOM 0 HE ARG A 17 8.068 -8.822 -6.510 1.00 0.00 H new ATOM 0 HH11 ARG A 17 5.213 -10.769 -7.329 1.00 0.00 H new ATOM 0 HH12 ARG A 17 4.288 -9.373 -7.893 1.00 0.00 H new ATOM 0 HH21 ARG A 17 6.890 -7.048 -7.257 1.00 0.00 H new ATOM 0 HH22 ARG A 17 5.240 -7.261 -7.852 1.00 0.00 H new ATOM 278 N PRO A 18 3.942 -10.454 -2.575 1.00 0.00 N ATOM 279 CA PRO A 18 2.640 -10.579 -1.943 1.00 0.00 C ATOM 280 C PRO A 18 1.927 -9.235 -1.943 1.00 0.00 C ATOM 281 O PRO A 18 0.731 -9.147 -2.231 1.00 0.00 O ATOM 282 CB PRO A 18 2.925 -11.070 -0.525 1.00 0.00 C ATOM 283 CG PRO A 18 4.357 -10.618 -0.254 1.00 0.00 C ATOM 284 CD PRO A 18 5.007 -10.725 -1.629 1.00 0.00 C ATOM 0 HA PRO A 18 1.984 -11.271 -2.470 1.00 0.00 H new ATOM 0 HB2 PRO A 18 2.228 -10.638 0.194 1.00 0.00 H new ATOM 0 HB3 PRO A 18 2.828 -12.153 -0.452 1.00 0.00 H new ATOM 0 HG2 PRO A 18 4.394 -9.600 0.133 1.00 0.00 H new ATOM 0 HG3 PRO A 18 4.851 -11.256 0.479 1.00 0.00 H new ATOM 0 HD2 PRO A 18 5.821 -10.008 -1.737 1.00 0.00 H new ATOM 0 HD3 PRO A 18 5.432 -11.716 -1.788 1.00 0.00 H new ATOM 292 N ALA A 19 2.691 -8.192 -1.625 1.00 0.00 N ATOM 293 CA ALA A 19 2.238 -6.824 -1.663 1.00 0.00 C ATOM 294 C ALA A 19 1.718 -6.467 -3.037 1.00 0.00 C ATOM 295 O ALA A 19 0.678 -5.829 -3.140 1.00 0.00 O ATOM 296 CB ALA A 19 3.435 -5.945 -1.417 1.00 0.00 C ATOM 0 H ALA A 19 3.662 -8.288 -1.329 1.00 0.00 H new ATOM 0 HA ALA A 19 1.449 -6.691 -0.922 1.00 0.00 H new ATOM 0 HB1 ALA A 19 3.129 -4.899 -1.439 1.00 0.00 H new ATOM 0 HB2 ALA A 19 3.863 -6.178 -0.442 1.00 0.00 H new ATOM 0 HB3 ALA A 19 4.181 -6.121 -2.192 1.00 0.00 H new ATOM 302 N ALA A 20 2.465 -6.862 -4.071 1.00 0.00 N ATOM 303 CA ALA A 20 2.127 -6.618 -5.457 1.00 0.00 C ATOM 304 C ALA A 20 0.733 -7.148 -5.709 1.00 0.00 C ATOM 305 O ALA A 20 -0.098 -6.429 -6.246 1.00 0.00 O ATOM 306 CB ALA A 20 3.135 -7.313 -6.365 1.00 0.00 C ATOM 0 H ALA A 20 3.341 -7.372 -3.954 1.00 0.00 H new ATOM 0 HA ALA A 20 2.156 -5.550 -5.671 1.00 0.00 H new ATOM 0 HB1 ALA A 20 2.876 -7.126 -7.407 1.00 0.00 H new ATOM 0 HB2 ALA A 20 4.134 -6.925 -6.164 1.00 0.00 H new ATOM 0 HB3 ALA A 20 3.118 -8.386 -6.174 1.00 0.00 H new ATOM 312 N LEU A 21 0.473 -8.386 -5.285 1.00 0.00 N ATOM 313 CA LEU A 21 -0.846 -8.982 -5.414 1.00 0.00 C ATOM 314 C LEU A 21 -1.890 -8.113 -4.707 1.00 0.00 C ATOM 315 O LEU A 21 -2.920 -7.778 -5.298 1.00 0.00 O ATOM 316 CB LEU A 21 -0.797 -10.404 -4.853 1.00 0.00 C ATOM 317 CG LEU A 21 -1.966 -11.260 -5.339 1.00 0.00 C ATOM 318 CD1 LEU A 21 -3.286 -10.776 -4.748 1.00 0.00 C ATOM 319 CD2 LEU A 21 -2.040 -11.209 -6.863 1.00 0.00 C ATOM 0 H LEU A 21 1.166 -8.993 -4.848 1.00 0.00 H new ATOM 0 HA LEU A 21 -1.141 -9.037 -6.462 1.00 0.00 H new ATOM 0 HB2 LEU A 21 0.141 -10.875 -5.145 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -0.808 -10.363 -3.764 1.00 0.00 H new ATOM 0 HG LEU A 21 -1.798 -12.285 -5.009 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -4.099 -11.404 -5.112 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -3.241 -10.834 -3.660 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -3.462 -9.743 -5.049 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -2.874 -11.820 -7.207 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -2.188 -10.178 -7.186 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -1.111 -11.592 -7.285 1.00 0.00 H new ATOM 331 N PHE A 22 -1.602 -7.735 -3.454 1.00 0.00 N ATOM 332 CA PHE A 22 -2.465 -6.901 -2.630 1.00 0.00 C ATOM 333 C PHE A 22 -2.809 -5.601 -3.353 1.00 0.00 C ATOM 334 O PHE A 22 -3.954 -5.399 -3.753 1.00 0.00 O ATOM 335 CB PHE A 22 -1.748 -6.623 -1.304 1.00 0.00 C ATOM 336 CG PHE A 22 -2.313 -5.466 -0.511 1.00 0.00 C ATOM 337 CD1 PHE A 22 -3.693 -5.387 -0.260 1.00 0.00 C ATOM 338 CD2 PHE A 22 -1.487 -4.368 -0.222 1.00 0.00 C ATOM 339 CE1 PHE A 22 -4.235 -4.230 0.325 1.00 0.00 C ATOM 340 CE2 PHE A 22 -2.027 -3.208 0.354 1.00 0.00 C ATOM 341 CZ PHE A 22 -3.399 -3.147 0.647 1.00 0.00 C ATOM 0 H PHE A 22 -0.741 -8.011 -2.981 1.00 0.00 H new ATOM 0 HA PHE A 22 -3.404 -7.418 -2.434 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -1.789 -7.522 -0.689 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -0.696 -6.425 -1.510 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -4.337 -6.215 -0.517 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -0.431 -4.416 -0.444 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -5.294 -4.173 0.527 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -1.389 -2.364 0.571 1.00 0.00 H new ATOM 0 HZ PHE A 22 -3.812 -2.268 1.120 1.00 0.00 H new ATOM 351 N VAL A 23 -1.812 -4.727 -3.506 1.00 0.00 N ATOM 352 CA VAL A 23 -1.941 -3.445 -4.167 1.00 0.00 C ATOM 353 C VAL A 23 -2.626 -3.639 -5.512 1.00 0.00 C ATOM 354 O VAL A 23 -3.558 -2.906 -5.831 1.00 0.00 O ATOM 355 CB VAL A 23 -0.550 -2.821 -4.304 1.00 0.00 C ATOM 356 CG1 VAL A 23 -0.555 -1.635 -5.263 1.00 0.00 C ATOM 357 CG2 VAL A 23 -0.084 -2.327 -2.934 1.00 0.00 C ATOM 0 H VAL A 23 -0.869 -4.905 -3.160 1.00 0.00 H new ATOM 0 HA VAL A 23 -2.559 -2.762 -3.584 1.00 0.00 H new ATOM 0 HB VAL A 23 0.120 -3.586 -4.698 1.00 0.00 H new ATOM 0 HG11 VAL A 23 0.450 -1.220 -5.333 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -0.881 -1.966 -6.249 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -1.238 -0.871 -4.893 1.00 0.00 H new ATOM 0 HG21 VAL A 23 0.907 -1.881 -3.026 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -0.784 -1.581 -2.559 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -0.042 -3.166 -2.240 1.00 0.00 H new ATOM 367 N GLN A 24 -2.185 -4.633 -6.284 1.00 0.00 N ATOM 368 CA GLN A 24 -2.746 -4.990 -7.567 1.00 0.00 C ATOM 369 C GLN A 24 -4.260 -5.095 -7.495 1.00 0.00 C ATOM 370 O GLN A 24 -4.949 -4.361 -8.189 1.00 0.00 O ATOM 371 CB GLN A 24 -2.160 -6.335 -7.993 1.00 0.00 C ATOM 372 CG GLN A 24 -2.850 -6.863 -9.247 1.00 0.00 C ATOM 373 CD GLN A 24 -3.480 -8.241 -9.059 1.00 0.00 C ATOM 374 OE1 GLN A 24 -3.781 -8.912 -10.040 1.00 0.00 O ATOM 375 NE2 GLN A 24 -3.741 -8.682 -7.830 1.00 0.00 N ATOM 0 H GLN A 24 -1.400 -5.226 -6.015 1.00 0.00 H new ATOM 0 HA GLN A 24 -2.498 -4.214 -8.292 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -1.092 -6.227 -8.180 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -2.270 -7.056 -7.183 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -3.623 -6.157 -9.552 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -2.124 -6.911 -10.059 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -3.487 -8.116 -7.020 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -4.195 -9.586 -7.698 1.00 0.00 H new ATOM 384 N GLU A 25 -4.783 -6.004 -6.675 1.00 0.00 N ATOM 385 CA GLU A 25 -6.211 -6.252 -6.638 1.00 0.00 C ATOM 386 C GLU A 25 -6.972 -5.134 -5.947 1.00 0.00 C ATOM 387 O GLU A 25 -8.100 -4.848 -6.336 1.00 0.00 O ATOM 388 CB GLU A 25 -6.505 -7.624 -6.037 1.00 0.00 C ATOM 389 CG GLU A 25 -5.852 -7.776 -4.665 1.00 0.00 C ATOM 390 CD GLU A 25 -6.323 -9.046 -3.979 1.00 0.00 C ATOM 391 OE1 GLU A 25 -6.174 -10.118 -4.603 1.00 0.00 O ATOM 392 OE2 GLU A 25 -6.843 -8.913 -2.851 1.00 0.00 O ATOM 0 H GLU A 25 -4.236 -6.576 -6.032 1.00 0.00 H new ATOM 0 HA GLU A 25 -6.575 -6.262 -7.666 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -7.583 -7.762 -5.947 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -6.139 -8.403 -6.706 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -4.768 -7.797 -4.774 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -6.093 -6.912 -4.045 1.00 0.00 H new ATOM 399 N ALA A 26 -6.361 -4.490 -4.952 1.00 0.00 N ATOM 400 CA ALA A 26 -6.945 -3.316 -4.329 1.00 0.00 C ATOM 401 C ALA A 26 -7.178 -2.262 -5.413 1.00 0.00 C ATOM 402 O ALA A 26 -8.221 -1.618 -5.472 1.00 0.00 O ATOM 403 CB ALA A 26 -5.970 -2.798 -3.278 1.00 0.00 C ATOM 0 H ALA A 26 -5.460 -4.768 -4.564 1.00 0.00 H new ATOM 0 HA ALA A 26 -7.895 -3.551 -3.850 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -6.389 -1.915 -2.797 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -5.797 -3.571 -2.530 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -5.025 -2.537 -3.755 1.00 0.00 H new ATOM 409 N ASN A 27 -6.174 -2.114 -6.278 1.00 0.00 N ATOM 410 CA ASN A 27 -6.167 -1.249 -7.440 1.00 0.00 C ATOM 411 C ASN A 27 -7.174 -1.722 -8.473 1.00 0.00 C ATOM 412 O ASN A 27 -7.837 -0.912 -9.113 1.00 0.00 O ATOM 413 CB ASN A 27 -4.800 -1.375 -8.100 1.00 0.00 C ATOM 414 CG ASN A 27 -3.893 -0.196 -7.764 1.00 0.00 C ATOM 415 OD1 ASN A 27 -4.046 0.891 -8.309 1.00 0.00 O ATOM 416 ND2 ASN A 27 -2.948 -0.406 -6.855 1.00 0.00 N ATOM 0 H ASN A 27 -5.299 -2.627 -6.173 1.00 0.00 H new ATOM 0 HA ASN A 27 -6.402 -0.234 -7.121 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -4.325 -2.301 -7.777 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -4.924 -1.441 -9.181 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -2.319 0.352 -6.589 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -2.851 -1.325 -6.423 1.00 0.00 H new ATOM 423 N ARG A 28 -7.247 -3.045 -8.633 1.00 0.00 N ATOM 424 CA ARG A 28 -7.987 -3.814 -9.623 1.00 0.00 C ATOM 425 C ARG A 28 -9.498 -3.603 -9.728 1.00 0.00 C ATOM 426 O ARG A 28 -10.185 -4.492 -10.228 1.00 0.00 O ATOM 427 CB ARG A 28 -7.726 -5.283 -9.325 1.00 0.00 C ATOM 428 CG ARG A 28 -6.471 -5.764 -10.047 1.00 0.00 C ATOM 429 CD ARG A 28 -6.286 -7.264 -9.824 1.00 0.00 C ATOM 430 NE ARG A 28 -7.497 -8.010 -10.175 1.00 0.00 N ATOM 431 CZ ARG A 28 -7.515 -9.330 -10.400 1.00 0.00 C ATOM 432 NH1 ARG A 28 -6.382 -10.039 -10.360 1.00 0.00 N ATOM 433 NH2 ARG A 28 -8.677 -9.935 -10.668 1.00 0.00 N ATOM 0 H ARG A 28 -6.734 -3.663 -8.005 1.00 0.00 H new ATOM 0 HA ARG A 28 -7.620 -3.457 -10.585 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -7.611 -5.427 -8.251 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -8.583 -5.880 -9.637 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -6.551 -5.553 -11.113 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -5.599 -5.223 -9.679 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -5.449 -7.622 -10.424 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -6.032 -7.450 -8.780 1.00 0.00 H new ATOM 0 HE ARG A 28 -8.375 -7.496 -10.252 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -5.497 -9.575 -10.157 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -6.403 -11.044 -10.532 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -9.540 -9.391 -10.700 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -8.701 -10.940 -10.841 1.00 0.00 H new ATOM 447 N PHE A 29 -10.032 -2.465 -9.300 1.00 0.00 N ATOM 448 CA PHE A 29 -11.435 -2.175 -9.450 1.00 0.00 C ATOM 449 C PHE A 29 -11.594 -0.741 -9.938 1.00 0.00 C ATOM 450 O PHE A 29 -11.712 -0.500 -11.135 1.00 0.00 O ATOM 451 CB PHE A 29 -12.129 -2.423 -8.117 1.00 0.00 C ATOM 452 CG PHE A 29 -12.493 -3.868 -7.883 1.00 0.00 C ATOM 453 CD1 PHE A 29 -12.970 -4.653 -8.947 1.00 0.00 C ATOM 454 CD2 PHE A 29 -12.439 -4.403 -6.587 1.00 0.00 C ATOM 455 CE1 PHE A 29 -13.392 -5.972 -8.717 1.00 0.00 C ATOM 456 CE2 PHE A 29 -12.874 -5.717 -6.353 1.00 0.00 C ATOM 457 CZ PHE A 29 -13.350 -6.502 -7.418 1.00 0.00 C ATOM 0 H PHE A 29 -9.499 -1.726 -8.842 1.00 0.00 H new ATOM 0 HA PHE A 29 -11.901 -2.825 -10.191 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -11.478 -2.086 -7.310 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -13.034 -1.817 -8.070 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -13.012 -4.240 -9.944 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -12.063 -3.804 -5.770 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -13.748 -6.577 -9.537 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -12.843 -6.125 -5.354 1.00 0.00 H new ATOM 0 HZ PHE A 29 -13.683 -7.513 -7.236 1.00 0.00 H new ATOM 467 N THR A 30 -11.610 0.207 -9.003 1.00 0.00 N ATOM 468 CA THR A 30 -11.745 1.633 -9.270 1.00 0.00 C ATOM 469 C THR A 30 -11.262 2.385 -8.034 1.00 0.00 C ATOM 470 O THR A 30 -10.385 3.242 -8.089 1.00 0.00 O ATOM 471 CB THR A 30 -13.217 1.975 -9.531 1.00 0.00 C ATOM 472 OG1 THR A 30 -14.041 1.329 -8.575 1.00 0.00 O ATOM 473 CG2 THR A 30 -13.653 1.555 -10.931 1.00 0.00 C ATOM 0 H THR A 30 -11.527 -0.005 -8.009 1.00 0.00 H new ATOM 0 HA THR A 30 -11.159 1.912 -10.146 1.00 0.00 H new ATOM 0 HB THR A 30 -13.322 3.057 -9.448 1.00 0.00 H new ATOM 0 HG1 THR A 30 -14.176 0.395 -8.838 1.00 0.00 H new ATOM 0 HG21 THR A 30 -14.702 1.814 -11.078 1.00 0.00 H new ATOM 0 HG22 THR A 30 -13.044 2.072 -11.672 1.00 0.00 H new ATOM 0 HG23 THR A 30 -13.526 0.478 -11.044 1.00 0.00 H new ATOM 481 N SER A 31 -11.897 2.019 -6.923 1.00 0.00 N ATOM 482 CA SER A 31 -11.723 2.458 -5.560 1.00 0.00 C ATOM 483 C SER A 31 -10.314 2.882 -5.180 1.00 0.00 C ATOM 484 O SER A 31 -9.346 2.152 -5.383 1.00 0.00 O ATOM 485 CB SER A 31 -12.128 1.273 -4.691 1.00 0.00 C ATOM 486 OG SER A 31 -13.245 0.622 -5.273 1.00 0.00 O ATOM 0 H SER A 31 -12.637 1.319 -6.976 1.00 0.00 H new ATOM 0 HA SER A 31 -12.327 3.355 -5.421 1.00 0.00 H new ATOM 0 HB2 SER A 31 -11.295 0.576 -4.597 1.00 0.00 H new ATOM 0 HB3 SER A 31 -12.375 1.613 -3.685 1.00 0.00 H new ATOM 0 HG SER A 31 -13.011 -0.307 -5.479 1.00 0.00 H new ATOM 492 N ASP A 32 -10.219 4.030 -4.515 1.00 0.00 N ATOM 493 CA ASP A 32 -8.962 4.473 -3.961 1.00 0.00 C ATOM 494 C ASP A 32 -8.905 3.786 -2.613 1.00 0.00 C ATOM 495 O ASP A 32 -9.344 4.323 -1.600 1.00 0.00 O ATOM 496 CB ASP A 32 -8.927 5.988 -3.858 1.00 0.00 C ATOM 497 CG ASP A 32 -7.690 6.469 -3.113 1.00 0.00 C ATOM 498 OD1 ASP A 32 -6.637 5.803 -3.242 1.00 0.00 O ATOM 499 OD2 ASP A 32 -7.826 7.500 -2.419 1.00 0.00 O ATOM 0 H ASP A 32 -11.002 4.663 -4.352 1.00 0.00 H new ATOM 0 HA ASP A 32 -8.097 4.220 -4.574 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -8.942 6.422 -4.858 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -9.822 6.339 -3.344 1.00 0.00 H new ATOM 504 N VAL A 33 -8.505 2.526 -2.694 1.00 0.00 N ATOM 505 CA VAL A 33 -8.447 1.588 -1.595 1.00 0.00 C ATOM 506 C VAL A 33 -7.389 1.959 -0.569 1.00 0.00 C ATOM 507 O VAL A 33 -6.405 2.638 -0.869 1.00 0.00 O ATOM 508 CB VAL A 33 -8.212 0.197 -2.170 1.00 0.00 C ATOM 509 CG1 VAL A 33 -9.289 -0.043 -3.224 1.00 0.00 C ATOM 510 CG2 VAL A 33 -6.826 0.135 -2.806 1.00 0.00 C ATOM 0 H VAL A 33 -8.198 2.114 -3.575 1.00 0.00 H new ATOM 0 HA VAL A 33 -9.394 1.612 -1.055 1.00 0.00 H new ATOM 0 HB VAL A 33 -8.263 -0.565 -1.392 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -9.156 -1.032 -3.662 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -10.273 0.018 -2.759 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -9.209 0.713 -4.005 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -6.659 -0.860 -3.217 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -6.759 0.874 -3.605 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -6.069 0.348 -2.051 1.00 0.00 H new ATOM 520 N PHE A 34 -7.575 1.455 0.644 1.00 0.00 N ATOM 521 CA PHE A 34 -6.699 1.747 1.751 1.00 0.00 C ATOM 522 C PHE A 34 -6.348 0.491 2.530 1.00 0.00 C ATOM 523 O PHE A 34 -6.873 -0.587 2.279 1.00 0.00 O ATOM 524 CB PHE A 34 -7.336 2.800 2.664 1.00 0.00 C ATOM 525 CG PHE A 34 -7.641 4.109 1.972 1.00 0.00 C ATOM 526 CD1 PHE A 34 -6.618 4.782 1.287 1.00 0.00 C ATOM 527 CD2 PHE A 34 -8.960 4.587 1.896 1.00 0.00 C ATOM 528 CE1 PHE A 34 -6.906 5.919 0.517 1.00 0.00 C ATOM 529 CE2 PHE A 34 -9.256 5.713 1.107 1.00 0.00 C ATOM 530 CZ PHE A 34 -8.224 6.392 0.437 1.00 0.00 C ATOM 0 H PHE A 34 -8.345 0.829 0.880 1.00 0.00 H new ATOM 0 HA PHE A 34 -5.768 2.149 1.351 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -8.260 2.396 3.079 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -6.667 2.991 3.503 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -5.602 4.422 1.353 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -9.747 4.090 2.444 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -6.115 6.429 -0.013 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -10.276 6.056 1.016 1.00 0.00 H new ATOM 0 HZ PHE A 34 -8.446 7.278 -0.139 1.00 0.00 H new ATOM 540 N LEU A 35 -5.422 0.631 3.462 1.00 0.00 N ATOM 541 CA LEU A 35 -5.027 -0.405 4.385 1.00 0.00 C ATOM 542 C LEU A 35 -4.709 0.345 5.664 1.00 0.00 C ATOM 543 O LEU A 35 -3.990 1.340 5.617 1.00 0.00 O ATOM 544 CB LEU A 35 -3.848 -1.189 3.819 1.00 0.00 C ATOM 545 CG LEU A 35 -3.506 -2.342 4.755 1.00 0.00 C ATOM 546 CD1 LEU A 35 -2.848 -3.457 3.950 1.00 0.00 C ATOM 547 CD2 LEU A 35 -2.557 -1.844 5.839 1.00 0.00 C ATOM 0 H LEU A 35 -4.909 1.502 3.597 1.00 0.00 H new ATOM 0 HA LEU A 35 -5.793 -1.159 4.566 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -4.094 -1.572 2.829 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -2.985 -0.534 3.702 1.00 0.00 H new ATOM 0 HG LEU A 35 -4.411 -2.726 5.225 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -2.600 -4.286 4.612 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -3.535 -3.802 3.178 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -1.938 -3.080 3.483 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -2.309 -2.665 6.511 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -1.645 -1.465 5.378 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -3.037 -1.045 6.404 1.00 0.00 H new ATOM 559 N GLU A 36 -5.299 -0.066 6.780 1.00 0.00 N ATOM 560 CA GLU A 36 -5.177 0.705 8.001 1.00 0.00 C ATOM 561 C GLU A 36 -4.733 -0.178 9.158 1.00 0.00 C ATOM 562 O GLU A 36 -5.553 -0.921 9.692 1.00 0.00 O ATOM 563 CB GLU A 36 -6.515 1.375 8.323 1.00 0.00 C ATOM 564 CG GLU A 36 -7.519 1.309 7.172 1.00 0.00 C ATOM 565 CD GLU A 36 -8.903 1.706 7.655 1.00 0.00 C ATOM 566 OE1 GLU A 36 -9.606 0.804 8.154 1.00 0.00 O ATOM 567 OE2 GLU A 36 -9.233 2.904 7.530 1.00 0.00 O ATOM 0 H GLU A 36 -5.857 -0.916 6.861 1.00 0.00 H new ATOM 0 HA GLU A 36 -4.418 1.473 7.855 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -6.949 0.899 9.202 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -6.337 2.419 8.581 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -7.203 1.973 6.367 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -7.546 0.300 6.761 1.00 0.00 H new ATOM 574 N LYS A 37 -3.470 -0.075 9.571 1.00 0.00 N ATOM 575 CA LYS A 37 -2.898 -0.866 10.654 1.00 0.00 C ATOM 576 C LYS A 37 -3.649 -0.598 11.947 1.00 0.00 C ATOM 577 O LYS A 37 -3.395 0.404 12.615 1.00 0.00 O ATOM 578 CB LYS A 37 -1.426 -0.514 10.811 1.00 0.00 C ATOM 579 CG LYS A 37 -0.666 -0.872 9.537 1.00 0.00 C ATOM 580 CD LYS A 37 0.839 -0.684 9.719 1.00 0.00 C ATOM 581 CE LYS A 37 1.383 -1.543 10.864 1.00 0.00 C ATOM 582 NZ LYS A 37 1.228 -0.896 12.178 1.00 0.00 N ATOM 0 H LYS A 37 -2.805 0.575 9.152 1.00 0.00 H new ATOM 0 HA LYS A 37 -2.988 -1.926 10.418 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -1.318 0.550 11.022 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -1.003 -1.052 11.660 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -0.875 -1.906 9.264 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -1.016 -0.248 8.714 1.00 0.00 H new ATOM 0 HD2 LYS A 37 1.353 -0.944 8.793 1.00 0.00 H new ATOM 0 HD3 LYS A 37 1.053 0.366 9.918 1.00 0.00 H new ATOM 0 HE2 LYS A 37 0.865 -2.502 10.872 1.00 0.00 H new ATOM 0 HE3 LYS A 37 2.438 -1.752 10.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 2.135 -0.919 12.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 0.931 0.092 12.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 0.508 -1.403 12.732 1.00 0.00 H new ATOM 596 N ASP A 38 -4.618 -1.455 12.265 1.00 0.00 N ATOM 597 CA ASP A 38 -5.528 -1.271 13.381 1.00 0.00 C ATOM 598 C ASP A 38 -6.147 0.126 13.287 1.00 0.00 C ATOM 599 O ASP A 38 -6.383 0.776 14.304 1.00 0.00 O ATOM 600 CB ASP A 38 -4.778 -1.455 14.699 1.00 0.00 C ATOM 601 CG ASP A 38 -4.098 -2.815 14.784 1.00 0.00 C ATOM 602 OD1 ASP A 38 -4.821 -3.798 15.056 1.00 0.00 O ATOM 603 OD2 ASP A 38 -2.865 -2.845 14.576 1.00 0.00 O ATOM 0 H ASP A 38 -4.791 -2.312 11.740 1.00 0.00 H new ATOM 0 HA ASP A 38 -6.325 -2.014 13.345 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -4.030 -0.669 14.803 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -5.474 -1.345 15.531 1.00 0.00 H new ATOM 608 N GLY A 39 -6.358 0.621 12.063 1.00 0.00 N ATOM 609 CA GLY A 39 -6.864 1.969 11.895 1.00 0.00 C ATOM 610 C GLY A 39 -5.859 2.897 11.208 1.00 0.00 C ATOM 611 O GLY A 39 -6.262 3.915 10.650 1.00 0.00 O ATOM 0 H GLY A 39 -6.187 0.113 11.195 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -7.782 1.937 11.309 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -7.123 2.380 12.871 1.00 0.00 H new ATOM 615 N LYS A 40 -4.558 2.577 11.222 1.00 0.00 N ATOM 616 CA LYS A 40 -3.538 3.408 10.598 1.00 0.00 C ATOM 617 C LYS A 40 -3.648 3.234 9.088 1.00 0.00 C ATOM 618 O LYS A 40 -2.896 2.457 8.498 1.00 0.00 O ATOM 619 CB LYS A 40 -2.141 2.984 11.058 1.00 0.00 C ATOM 620 CG LYS A 40 -1.957 2.803 12.567 1.00 0.00 C ATOM 621 CD LYS A 40 -2.391 4.014 13.394 1.00 0.00 C ATOM 622 CE LYS A 40 -3.880 3.910 13.721 1.00 0.00 C ATOM 623 NZ LYS A 40 -4.178 2.655 14.437 1.00 0.00 N ATOM 0 H LYS A 40 -4.191 1.736 11.667 1.00 0.00 H new ATOM 0 HA LYS A 40 -3.690 4.450 10.881 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -1.888 2.045 10.566 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -1.425 3.729 10.711 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -2.526 1.932 12.891 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -0.907 2.592 12.772 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -1.810 4.064 14.315 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -2.194 4.933 12.842 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -4.182 4.761 14.331 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -4.462 3.955 12.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -5.101 2.736 14.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -4.204 1.867 13.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -3.439 2.477 15.147 1.00 0.00 H new ATOM 637 N LYS A 41 -4.633 3.888 8.480 1.00 0.00 N ATOM 638 CA LYS A 41 -4.913 3.681 7.078 1.00 0.00 C ATOM 639 C LYS A 41 -4.071 4.525 6.135 1.00 0.00 C ATOM 640 O LYS A 41 -3.639 5.633 6.447 1.00 0.00 O ATOM 641 CB LYS A 41 -6.412 3.827 6.826 1.00 0.00 C ATOM 642 CG LYS A 41 -6.820 4.785 5.709 1.00 0.00 C ATOM 643 CD LYS A 41 -6.546 6.238 6.092 1.00 0.00 C ATOM 644 CE LYS A 41 -6.821 7.116 4.873 1.00 0.00 C ATOM 645 NZ LYS A 41 -5.874 6.823 3.784 1.00 0.00 N ATOM 0 H LYS A 41 -5.244 4.562 8.941 1.00 0.00 H new ATOM 0 HA LYS A 41 -4.612 2.661 6.840 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -6.818 2.842 6.597 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -6.884 4.159 7.751 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -6.274 4.538 4.799 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -7.880 4.659 5.489 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -7.181 6.537 6.926 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -5.513 6.356 6.419 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -7.841 6.952 4.526 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -6.744 8.167 5.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -5.770 7.662 3.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -4.949 6.570 4.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -6.233 6.029 3.216 1.00 0.00 H new ATOM 659 N VAL A 42 -3.917 3.979 4.936 1.00 0.00 N ATOM 660 CA VAL A 42 -3.188 4.551 3.825 1.00 0.00 C ATOM 661 C VAL A 42 -3.744 3.989 2.539 1.00 0.00 C ATOM 662 O VAL A 42 -4.510 3.035 2.569 1.00 0.00 O ATOM 663 CB VAL A 42 -1.717 4.178 3.953 1.00 0.00 C ATOM 664 CG1 VAL A 42 -1.593 2.656 4.028 1.00 0.00 C ATOM 665 CG2 VAL A 42 -0.909 4.726 2.790 1.00 0.00 C ATOM 0 H VAL A 42 -4.323 3.072 4.705 1.00 0.00 H new ATOM 0 HA VAL A 42 -3.288 5.636 3.825 1.00 0.00 H new ATOM 0 HB VAL A 42 -1.316 4.621 4.864 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -0.542 2.381 4.120 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -2.142 2.289 4.895 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -2.007 2.212 3.122 1.00 0.00 H new ATOM 0 HG21 VAL A 42 0.137 4.444 2.909 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -1.292 4.315 1.856 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -0.992 5.813 2.770 1.00 0.00 H new ATOM 675 N ASN A 43 -3.372 4.587 1.412 1.00 0.00 N ATOM 676 CA ASN A 43 -3.762 4.132 0.094 1.00 0.00 C ATOM 677 C ASN A 43 -3.155 2.763 -0.109 1.00 0.00 C ATOM 678 O ASN A 43 -1.973 2.642 -0.419 1.00 0.00 O ATOM 679 CB ASN A 43 -3.266 5.102 -0.975 1.00 0.00 C ATOM 680 CG ASN A 43 -3.763 6.520 -0.753 1.00 0.00 C ATOM 681 OD1 ASN A 43 -3.187 7.252 0.044 1.00 0.00 O ATOM 682 ND2 ASN A 43 -4.827 6.925 -1.439 1.00 0.00 N ATOM 0 H ASN A 43 -2.780 5.417 1.395 1.00 0.00 H new ATOM 0 HA ASN A 43 -4.848 4.084 0.012 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -2.176 5.100 -0.984 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -3.594 4.755 -1.955 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -5.188 7.870 -1.310 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -5.283 6.290 -2.095 1.00 0.00 H new ATOM 689 N ALA A 44 -3.991 1.747 0.072 1.00 0.00 N ATOM 690 CA ALA A 44 -3.638 0.343 -0.040 1.00 0.00 C ATOM 691 C ALA A 44 -2.927 0.077 -1.353 1.00 0.00 C ATOM 692 O ALA A 44 -1.905 -0.597 -1.418 1.00 0.00 O ATOM 693 CB ALA A 44 -4.915 -0.493 -0.011 1.00 0.00 C ATOM 0 H ALA A 44 -4.973 1.888 0.310 1.00 0.00 H new ATOM 0 HA ALA A 44 -2.980 0.080 0.789 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -4.660 -1.549 -0.095 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -5.442 -0.320 0.927 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -5.556 -0.207 -0.845 1.00 0.00 H new ATOM 699 N LYS A 45 -3.513 0.653 -2.394 1.00 0.00 N ATOM 700 CA LYS A 45 -3.079 0.549 -3.768 1.00 0.00 C ATOM 701 C LYS A 45 -1.809 1.356 -4.056 1.00 0.00 C ATOM 702 O LYS A 45 -1.229 1.204 -5.131 1.00 0.00 O ATOM 703 CB LYS A 45 -4.247 1.070 -4.598 1.00 0.00 C ATOM 704 CG LYS A 45 -4.496 2.536 -4.231 1.00 0.00 C ATOM 705 CD LYS A 45 -5.960 2.916 -4.448 1.00 0.00 C ATOM 706 CE LYS A 45 -6.505 2.320 -5.749 1.00 0.00 C ATOM 707 NZ LYS A 45 -5.785 2.828 -6.929 1.00 0.00 N ATOM 0 H LYS A 45 -4.345 1.233 -2.291 1.00 0.00 H new ATOM 0 HA LYS A 45 -2.819 -0.482 -4.008 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -4.025 0.979 -5.661 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -5.141 0.476 -4.407 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -4.224 2.705 -3.189 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -3.857 3.179 -4.836 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -6.557 2.564 -3.607 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -6.056 4.001 -4.475 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -6.423 1.234 -5.713 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -7.565 2.557 -5.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -6.470 3.163 -7.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -5.166 3.615 -6.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -5.209 2.065 -7.339 1.00 0.00 H new ATOM 721 N SER A 46 -1.437 2.264 -3.151 1.00 0.00 N ATOM 722 CA SER A 46 -0.304 3.150 -3.307 1.00 0.00 C ATOM 723 C SER A 46 0.911 2.746 -2.470 1.00 0.00 C ATOM 724 O SER A 46 0.839 1.909 -1.569 1.00 0.00 O ATOM 725 CB SER A 46 -0.744 4.569 -2.942 1.00 0.00 C ATOM 726 OG SER A 46 -1.903 4.923 -3.675 1.00 0.00 O ATOM 0 H SER A 46 -1.934 2.399 -2.271 1.00 0.00 H new ATOM 0 HA SER A 46 0.018 3.091 -4.347 1.00 0.00 H new ATOM 0 HB2 SER A 46 -0.947 4.631 -1.873 1.00 0.00 H new ATOM 0 HB3 SER A 46 0.060 5.274 -3.155 1.00 0.00 H new ATOM 0 HG SER A 46 -2.178 5.832 -3.433 1.00 0.00 H new ATOM 732 N ILE A 47 2.025 3.431 -2.741 1.00 0.00 N ATOM 733 CA ILE A 47 3.298 3.285 -2.047 1.00 0.00 C ATOM 734 C ILE A 47 3.148 3.265 -0.534 1.00 0.00 C ATOM 735 O ILE A 47 3.630 2.354 0.118 1.00 0.00 O ATOM 736 CB ILE A 47 4.248 4.427 -2.427 1.00 0.00 C ATOM 737 CG1 ILE A 47 5.611 4.139 -1.778 1.00 0.00 C ATOM 738 CG2 ILE A 47 3.683 5.778 -1.962 1.00 0.00 C ATOM 739 CD1 ILE A 47 5.732 4.755 -0.384 1.00 0.00 C ATOM 0 H ILE A 47 2.061 4.131 -3.482 1.00 0.00 H new ATOM 0 HA ILE A 47 3.706 2.324 -2.360 1.00 0.00 H new ATOM 0 HB ILE A 47 4.360 4.486 -3.510 1.00 0.00 H new ATOM 0 HG12 ILE A 47 5.758 3.061 -1.710 1.00 0.00 H new ATOM 0 HG13 ILE A 47 6.404 4.530 -2.415 1.00 0.00 H new ATOM 0 HG21 ILE A 47 4.371 6.576 -2.241 1.00 0.00 H new ATOM 0 HG22 ILE A 47 2.717 5.951 -2.436 1.00 0.00 H new ATOM 0 HG23 ILE A 47 3.560 5.767 -0.879 1.00 0.00 H new ATOM 0 HD11 ILE A 47 6.712 4.524 0.032 1.00 0.00 H new ATOM 0 HD12 ILE A 47 5.613 5.836 -0.452 1.00 0.00 H new ATOM 0 HD13 ILE A 47 4.957 4.345 0.264 1.00 0.00 H new ATOM 751 N MET A 48 2.511 4.274 0.051 1.00 0.00 N ATOM 752 CA MET A 48 2.417 4.348 1.492 1.00 0.00 C ATOM 753 C MET A 48 1.554 3.209 2.041 1.00 0.00 C ATOM 754 O MET A 48 1.598 2.909 3.234 1.00 0.00 O ATOM 755 CB MET A 48 1.935 5.745 1.863 1.00 0.00 C ATOM 756 CG MET A 48 1.809 5.860 3.381 1.00 0.00 C ATOM 757 SD MET A 48 1.175 7.443 3.974 1.00 0.00 S ATOM 758 CE MET A 48 2.417 8.531 3.249 1.00 0.00 C ATOM 0 H MET A 48 2.059 5.040 -0.449 1.00 0.00 H new ATOM 0 HA MET A 48 3.389 4.203 1.963 1.00 0.00 H new ATOM 0 HB2 MET A 48 2.634 6.493 1.489 1.00 0.00 H new ATOM 0 HB3 MET A 48 0.972 5.945 1.392 1.00 0.00 H new ATOM 0 HG2 MET A 48 1.153 5.066 3.738 1.00 0.00 H new ATOM 0 HG3 MET A 48 2.789 5.688 3.826 1.00 0.00 H new ATOM 0 HE1 MET A 48 2.380 9.504 3.740 1.00 0.00 H new ATOM 0 HE2 MET A 48 3.407 8.094 3.384 1.00 0.00 H new ATOM 0 HE3 MET A 48 2.217 8.654 2.185 1.00 0.00 H new ATOM 768 N GLY A 49 0.754 2.563 1.194 1.00 0.00 N ATOM 769 CA GLY A 49 0.075 1.375 1.633 1.00 0.00 C ATOM 770 C GLY A 49 1.129 0.270 1.593 1.00 0.00 C ATOM 771 O GLY A 49 1.465 -0.260 2.642 1.00 0.00 O ATOM 0 H GLY A 49 0.572 2.842 0.230 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -0.326 1.500 2.639 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -0.767 1.140 0.982 1.00 0.00 H new ATOM 775 N LEU A 50 1.702 -0.024 0.418 1.00 0.00 N ATOM 776 CA LEU A 50 2.755 -1.021 0.229 1.00 0.00 C ATOM 777 C LEU A 50 3.899 -0.860 1.231 1.00 0.00 C ATOM 778 O LEU A 50 4.053 -1.609 2.189 1.00 0.00 O ATOM 779 CB LEU A 50 3.392 -0.782 -1.143 1.00 0.00 C ATOM 780 CG LEU A 50 3.860 -2.039 -1.884 1.00 0.00 C ATOM 781 CD1 LEU A 50 4.374 -3.088 -0.906 1.00 0.00 C ATOM 782 CD2 LEU A 50 2.741 -2.643 -2.721 1.00 0.00 C ATOM 0 H LEU A 50 1.435 0.441 -0.450 1.00 0.00 H new ATOM 0 HA LEU A 50 2.293 -2.002 0.345 1.00 0.00 H new ATOM 0 HB2 LEU A 50 2.672 -0.258 -1.772 1.00 0.00 H new ATOM 0 HB3 LEU A 50 4.247 -0.118 -1.016 1.00 0.00 H new ATOM 0 HG LEU A 50 4.670 -1.734 -2.547 1.00 0.00 H new ATOM 0 HD11 LEU A 50 4.700 -3.970 -1.457 1.00 0.00 H new ATOM 0 HD12 LEU A 50 5.214 -2.680 -0.344 1.00 0.00 H new ATOM 0 HD13 LEU A 50 3.576 -3.365 -0.217 1.00 0.00 H new ATOM 0 HD21 LEU A 50 3.109 -3.533 -3.232 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.908 -2.915 -2.073 1.00 0.00 H new ATOM 0 HD23 LEU A 50 2.404 -1.914 -3.458 1.00 0.00 H new ATOM 794 N MET A 51 4.731 0.130 0.928 1.00 0.00 N ATOM 795 CA MET A 51 5.934 0.526 1.605 1.00 0.00 C ATOM 796 C MET A 51 5.648 0.866 3.064 1.00 0.00 C ATOM 797 O MET A 51 6.394 0.464 3.950 1.00 0.00 O ATOM 798 CB MET A 51 6.480 1.743 0.830 1.00 0.00 C ATOM 799 CG MET A 51 7.076 2.838 1.719 1.00 0.00 C ATOM 800 SD MET A 51 8.823 2.663 2.160 1.00 0.00 S ATOM 801 CE MET A 51 8.882 0.924 2.634 1.00 0.00 C ATOM 0 H MET A 51 4.551 0.726 0.120 1.00 0.00 H new ATOM 0 HA MET A 51 6.668 -0.279 1.624 1.00 0.00 H new ATOM 0 HB2 MET A 51 7.244 1.402 0.132 1.00 0.00 H new ATOM 0 HB3 MET A 51 5.674 2.172 0.235 1.00 0.00 H new ATOM 0 HG2 MET A 51 6.946 3.795 1.214 1.00 0.00 H new ATOM 0 HG3 MET A 51 6.495 2.883 2.640 1.00 0.00 H new ATOM 0 HE1 MET A 51 9.916 0.631 2.813 1.00 0.00 H new ATOM 0 HE2 MET A 51 8.300 0.775 3.544 1.00 0.00 H new ATOM 0 HE3 MET A 51 8.465 0.314 1.833 1.00 0.00 H new ATOM 811 N SER A 52 4.624 1.683 3.301 1.00 0.00 N ATOM 812 CA SER A 52 4.383 2.168 4.651 1.00 0.00 C ATOM 813 C SER A 52 3.587 1.229 5.562 1.00 0.00 C ATOM 814 O SER A 52 4.159 0.538 6.398 1.00 0.00 O ATOM 815 CB SER A 52 3.801 3.580 4.620 1.00 0.00 C ATOM 816 OG SER A 52 4.517 4.390 3.704 1.00 0.00 O ATOM 0 H SER A 52 3.966 2.014 2.595 1.00 0.00 H new ATOM 0 HA SER A 52 5.365 2.198 5.123 1.00 0.00 H new ATOM 0 HB2 SER A 52 2.750 3.541 4.335 1.00 0.00 H new ATOM 0 HB3 SER A 52 3.845 4.020 5.616 1.00 0.00 H new ATOM 0 HG SER A 52 4.906 5.154 4.178 1.00 0.00 H new ATOM 822 N LEU A 53 2.257 1.240 5.456 1.00 0.00 N ATOM 823 CA LEU A 53 1.409 0.522 6.402 1.00 0.00 C ATOM 824 C LEU A 53 1.388 -0.983 6.169 1.00 0.00 C ATOM 825 O LEU A 53 1.778 -1.772 7.033 1.00 0.00 O ATOM 826 CB LEU A 53 -0.013 1.073 6.356 1.00 0.00 C ATOM 827 CG LEU A 53 -0.079 2.440 7.032 1.00 0.00 C ATOM 828 CD1 LEU A 53 0.639 2.405 8.378 1.00 0.00 C ATOM 829 CD2 LEU A 53 0.529 3.519 6.138 1.00 0.00 C ATOM 0 H LEU A 53 1.747 1.737 4.726 1.00 0.00 H new ATOM 0 HA LEU A 53 1.842 0.682 7.389 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -0.344 1.156 5.321 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -0.693 0.382 6.853 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.128 2.684 7.200 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.582 3.388 8.846 1.00 0.00 H new ATOM 0 HD12 LEU A 53 0.164 1.667 9.025 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.684 2.135 8.226 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.470 4.484 6.641 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.573 3.278 5.935 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.022 3.566 5.198 1.00 0.00 H new ATOM 841 N ALA A 54 0.904 -1.361 4.988 1.00 0.00 N ATOM 842 CA ALA A 54 0.721 -2.721 4.521 1.00 0.00 C ATOM 843 C ALA A 54 2.015 -3.535 4.531 1.00 0.00 C ATOM 844 O ALA A 54 1.957 -4.758 4.490 1.00 0.00 O ATOM 845 CB ALA A 54 0.080 -2.673 3.135 1.00 0.00 C ATOM 0 H ALA A 54 0.612 -0.676 4.291 1.00 0.00 H new ATOM 0 HA ALA A 54 0.060 -3.244 5.212 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -0.066 -3.688 2.766 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.884 -2.168 3.197 1.00 0.00 H new ATOM 0 HB3 ALA A 54 0.732 -2.129 2.451 1.00 0.00 H new ATOM 851 N VAL A 55 3.184 -2.904 4.621 1.00 0.00 N ATOM 852 CA VAL A 55 4.425 -3.652 4.747 1.00 0.00 C ATOM 853 C VAL A 55 4.558 -4.291 6.138 1.00 0.00 C ATOM 854 O VAL A 55 5.460 -5.089 6.387 1.00 0.00 O ATOM 855 CB VAL A 55 5.610 -2.740 4.431 1.00 0.00 C ATOM 856 CG1 VAL A 55 5.881 -1.793 5.598 1.00 0.00 C ATOM 857 CG2 VAL A 55 6.851 -3.587 4.164 1.00 0.00 C ATOM 0 H VAL A 55 3.294 -1.890 4.609 1.00 0.00 H new ATOM 0 HA VAL A 55 4.415 -4.470 4.027 1.00 0.00 H new ATOM 0 HB VAL A 55 5.371 -2.149 3.547 1.00 0.00 H new ATOM 0 HG11 VAL A 55 6.728 -1.151 5.356 1.00 0.00 H new ATOM 0 HG12 VAL A 55 5.000 -1.178 5.780 1.00 0.00 H new ATOM 0 HG13 VAL A 55 6.109 -2.373 6.492 1.00 0.00 H new ATOM 0 HG21 VAL A 55 7.695 -2.935 3.939 1.00 0.00 H new ATOM 0 HG22 VAL A 55 7.080 -4.185 5.046 1.00 0.00 H new ATOM 0 HG23 VAL A 55 6.666 -4.247 3.316 1.00 0.00 H new ATOM 867 N SER A 56 3.667 -3.966 7.076 1.00 0.00 N ATOM 868 CA SER A 56 3.781 -4.502 8.417 1.00 0.00 C ATOM 869 C SER A 56 3.246 -5.927 8.533 1.00 0.00 C ATOM 870 O SER A 56 2.219 -6.147 9.182 1.00 0.00 O ATOM 871 CB SER A 56 3.081 -3.565 9.396 1.00 0.00 C ATOM 872 OG SER A 56 3.504 -2.232 9.177 1.00 0.00 O ATOM 0 H SER A 56 2.873 -3.343 6.928 1.00 0.00 H new ATOM 0 HA SER A 56 4.841 -4.563 8.665 1.00 0.00 H new ATOM 0 HB2 SER A 56 2.000 -3.637 9.272 1.00 0.00 H new ATOM 0 HB3 SER A 56 3.305 -3.863 10.420 1.00 0.00 H new ATOM 0 HG SER A 56 3.113 -1.898 8.343 1.00 0.00 H new ATOM 878 N THR A 57 3.943 -6.885 7.918 1.00 0.00 N ATOM 879 CA THR A 57 3.638 -8.305 7.988 1.00 0.00 C ATOM 880 C THR A 57 3.221 -8.728 9.394 1.00 0.00 C ATOM 881 O THR A 57 3.970 -8.559 10.354 1.00 0.00 O ATOM 882 CB THR A 57 4.878 -9.097 7.587 1.00 0.00 C ATOM 883 OG1 THR A 57 5.466 -8.524 6.441 1.00 0.00 O ATOM 884 CG2 THR A 57 4.487 -10.543 7.304 1.00 0.00 C ATOM 0 H THR A 57 4.759 -6.682 7.341 1.00 0.00 H new ATOM 0 HA THR A 57 2.807 -8.505 7.312 1.00 0.00 H new ATOM 0 HB THR A 57 5.601 -9.072 8.402 1.00 0.00 H new ATOM 0 HG1 THR A 57 5.341 -9.122 5.675 1.00 0.00 H new ATOM 0 HG21 THR A 57 5.373 -11.110 7.017 1.00 0.00 H new ATOM 0 HG22 THR A 57 4.049 -10.983 8.200 1.00 0.00 H new ATOM 0 HG23 THR A 57 3.760 -10.571 6.493 1.00 0.00 H new ATOM 892 N GLY A 58 2.014 -9.272 9.517 1.00 0.00 N ATOM 893 CA GLY A 58 1.502 -9.736 10.791 1.00 0.00 C ATOM 894 C GLY A 58 0.659 -8.691 11.515 1.00 0.00 C ATOM 895 O GLY A 58 0.113 -8.988 12.574 1.00 0.00 O ATOM 0 H GLY A 58 1.370 -9.401 8.737 1.00 0.00 H new ATOM 0 HA2 GLY A 58 0.901 -10.631 10.630 1.00 0.00 H new ATOM 0 HA3 GLY A 58 2.338 -10.024 11.428 1.00 0.00 H new ATOM 899 N THR A 59 0.491 -7.487 10.967 1.00 0.00 N ATOM 900 CA THR A 59 -0.302 -6.513 11.690 1.00 0.00 C ATOM 901 C THR A 59 -1.732 -6.538 11.187 1.00 0.00 C ATOM 902 O THR A 59 -1.955 -6.560 9.979 1.00 0.00 O ATOM 903 CB THR A 59 0.275 -5.102 11.532 1.00 0.00 C ATOM 904 OG1 THR A 59 1.682 -5.105 11.640 1.00 0.00 O ATOM 905 CG2 THR A 59 -0.291 -4.181 12.609 1.00 0.00 C ATOM 0 H THR A 59 0.873 -7.180 10.073 1.00 0.00 H new ATOM 0 HA THR A 59 -0.280 -6.776 12.748 1.00 0.00 H new ATOM 0 HB THR A 59 -0.004 -4.745 10.541 1.00 0.00 H new ATOM 0 HG1 THR A 59 2.069 -5.551 10.858 1.00 0.00 H new ATOM 0 HG21 THR A 59 0.125 -3.181 12.488 1.00 0.00 H new ATOM 0 HG22 THR A 59 -1.376 -4.136 12.516 1.00 0.00 H new ATOM 0 HG23 THR A 59 -0.027 -4.567 13.594 1.00 0.00 H new ATOM 913 N GLU A 60 -2.709 -6.541 12.091 1.00 0.00 N ATOM 914 CA GLU A 60 -4.089 -6.490 11.658 1.00 0.00 C ATOM 915 C GLU A 60 -4.340 -5.109 11.069 1.00 0.00 C ATOM 916 O GLU A 60 -4.263 -4.100 11.764 1.00 0.00 O ATOM 917 CB GLU A 60 -5.036 -6.774 12.820 1.00 0.00 C ATOM 918 CG GLU A 60 -4.574 -7.978 13.639 1.00 0.00 C ATOM 919 CD GLU A 60 -4.862 -9.284 12.917 1.00 0.00 C ATOM 920 OE1 GLU A 60 -5.871 -9.319 12.179 1.00 0.00 O ATOM 921 OE2 GLU A 60 -4.068 -10.226 13.122 1.00 0.00 O ATOM 0 H GLU A 60 -2.570 -6.577 13.101 1.00 0.00 H new ATOM 0 HA GLU A 60 -4.277 -7.256 10.905 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -5.097 -5.897 13.464 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -6.040 -6.958 12.436 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -3.505 -7.897 13.836 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -5.077 -7.977 14.606 1.00 0.00 H new ATOM 928 N VAL A 61 -4.601 -5.051 9.774 1.00 0.00 N ATOM 929 CA VAL A 61 -4.853 -3.817 9.072 1.00 0.00 C ATOM 930 C VAL A 61 -6.179 -3.956 8.339 1.00 0.00 C ATOM 931 O VAL A 61 -6.518 -5.027 7.834 1.00 0.00 O ATOM 932 CB VAL A 61 -3.678 -3.520 8.142 1.00 0.00 C ATOM 933 CG1 VAL A 61 -2.406 -3.329 8.961 1.00 0.00 C ATOM 934 CG2 VAL A 61 -3.407 -4.703 7.225 1.00 0.00 C ATOM 0 H VAL A 61 -4.643 -5.877 9.177 1.00 0.00 H new ATOM 0 HA VAL A 61 -4.935 -2.969 9.752 1.00 0.00 H new ATOM 0 HB VAL A 61 -3.934 -2.628 7.570 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -1.571 -3.117 8.293 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -2.539 -2.495 9.651 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -2.197 -4.237 9.526 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -2.567 -4.471 6.571 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -3.168 -5.581 7.825 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -4.292 -4.906 6.621 1.00 0.00 H new ATOM 944 N THR A 62 -6.968 -2.889 8.344 1.00 0.00 N ATOM 945 CA THR A 62 -8.262 -2.890 7.700 1.00 0.00 C ATOM 946 C THR A 62 -8.077 -2.492 6.245 1.00 0.00 C ATOM 947 O THR A 62 -7.579 -1.404 5.956 1.00 0.00 O ATOM 948 CB THR A 62 -9.205 -1.943 8.442 1.00 0.00 C ATOM 949 OG1 THR A 62 -9.218 -2.224 9.826 1.00 0.00 O ATOM 950 CG2 THR A 62 -10.632 -2.135 7.942 1.00 0.00 C ATOM 0 H THR A 62 -6.725 -2.006 8.794 1.00 0.00 H new ATOM 0 HA THR A 62 -8.712 -3.882 7.730 1.00 0.00 H new ATOM 0 HB THR A 62 -8.852 -0.927 8.263 1.00 0.00 H new ATOM 0 HG1 THR A 62 -8.302 -2.382 10.136 1.00 0.00 H new ATOM 0 HG21 THR A 62 -11.299 -1.457 8.475 1.00 0.00 H new ATOM 0 HG22 THR A 62 -10.675 -1.921 6.874 1.00 0.00 H new ATOM 0 HG23 THR A 62 -10.944 -3.164 8.119 1.00 0.00 H new ATOM 958 N LEU A 63 -8.428 -3.387 5.328 1.00 0.00 N ATOM 959 CA LEU A 63 -8.325 -3.138 3.919 1.00 0.00 C ATOM 960 C LEU A 63 -9.597 -2.487 3.418 1.00 0.00 C ATOM 961 O LEU A 63 -10.685 -3.062 3.457 1.00 0.00 O ATOM 962 CB LEU A 63 -7.996 -4.441 3.220 1.00 0.00 C ATOM 963 CG LEU A 63 -6.489 -4.616 3.359 1.00 0.00 C ATOM 964 CD1 LEU A 63 -6.025 -5.815 2.552 1.00 0.00 C ATOM 965 CD2 LEU A 63 -5.795 -3.370 2.819 1.00 0.00 C ATOM 0 H LEU A 63 -8.794 -4.311 5.558 1.00 0.00 H new ATOM 0 HA LEU A 63 -7.519 -2.438 3.699 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -8.530 -5.275 3.675 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -8.291 -4.408 2.171 1.00 0.00 H new ATOM 0 HG LEU A 63 -6.243 -4.769 4.410 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -4.946 -5.930 2.659 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -6.524 -6.713 2.916 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -6.271 -5.664 1.501 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -4.715 -3.485 2.914 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -6.055 -3.235 1.769 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -6.118 -2.498 3.388 1.00 0.00 H new ATOM 977 N ILE A 64 -9.419 -1.242 3.001 1.00 0.00 N ATOM 978 CA ILE A 64 -10.427 -0.351 2.488 1.00 0.00 C ATOM 979 C ILE A 64 -10.430 -0.361 0.972 1.00 0.00 C ATOM 980 O ILE A 64 -9.417 -0.634 0.332 1.00 0.00 O ATOM 981 CB ILE A 64 -10.070 1.089 2.881 1.00 0.00 C ATOM 982 CG1 ILE A 64 -9.847 1.298 4.373 1.00 0.00 C ATOM 983 CG2 ILE A 64 -11.166 2.044 2.421 1.00 0.00 C ATOM 984 CD1 ILE A 64 -9.709 2.797 4.612 1.00 0.00 C ATOM 0 H ILE A 64 -8.497 -0.805 3.017 1.00 0.00 H new ATOM 0 HA ILE A 64 -11.388 -0.674 2.888 1.00 0.00 H new ATOM 0 HB ILE A 64 -9.122 1.295 2.384 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -10.682 0.894 4.945 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -8.951 0.773 4.704 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -10.903 3.063 2.705 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -11.270 1.984 1.338 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -12.110 1.768 2.892 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -9.548 2.983 5.674 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -8.861 3.179 4.044 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -10.619 3.302 4.289 1.00 0.00 H new ATOM 996 N ALA A 65 -11.556 0.043 0.409 1.00 0.00 N ATOM 997 CA ALA A 65 -11.685 0.383 -0.978 1.00 0.00 C ATOM 998 C ALA A 65 -12.661 1.528 -0.995 1.00 0.00 C ATOM 999 O ALA A 65 -13.652 1.536 -0.261 1.00 0.00 O ATOM 1000 CB ALA A 65 -12.127 -0.805 -1.802 1.00 0.00 C ATOM 0 H ALA A 65 -12.427 0.143 0.930 1.00 0.00 H new ATOM 0 HA ALA A 65 -10.739 0.674 -1.435 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -12.214 -0.510 -2.848 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -11.392 -1.605 -1.710 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -13.094 -1.158 -1.443 1.00 0.00 H new ATOM 1006 N GLN A 66 -12.295 2.534 -1.774 1.00 0.00 N ATOM 1007 CA GLN A 66 -13.028 3.765 -1.766 1.00 0.00 C ATOM 1008 C GLN A 66 -13.244 4.241 -3.192 1.00 0.00 C ATOM 1009 O GLN A 66 -12.661 5.220 -3.656 1.00 0.00 O ATOM 1010 CB GLN A 66 -12.204 4.678 -0.863 1.00 0.00 C ATOM 1011 CG GLN A 66 -12.733 6.088 -0.698 1.00 0.00 C ATOM 1012 CD GLN A 66 -11.926 7.092 -1.505 1.00 0.00 C ATOM 1013 OE1 GLN A 66 -10.616 6.888 -1.610 1.00 0.00 O flip ATOM 1014 NE2 GLN A 66 -12.489 8.040 -2.048 1.00 0.00 N flip ATOM 0 H GLN A 66 -11.499 2.512 -2.411 1.00 0.00 H new ATOM 0 HA GLN A 66 -14.043 3.706 -1.372 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -12.135 4.218 0.123 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -11.191 4.734 -1.261 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -13.776 6.124 -1.012 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -12.708 6.365 0.356 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -13.496 8.163 -1.944 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -11.949 8.704 -2.603 1.00 0.00 H new ATOM 1023 N GLY A 67 -14.079 3.513 -3.917 1.00 0.00 N ATOM 1024 CA GLY A 67 -14.374 3.797 -5.303 1.00 0.00 C ATOM 1025 C GLY A 67 -15.688 3.148 -5.688 1.00 0.00 C ATOM 1026 O GLY A 67 -16.597 3.056 -4.867 1.00 0.00 O ATOM 0 H GLY A 67 -14.574 2.700 -3.550 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -14.430 4.874 -5.460 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -13.572 3.423 -5.940 1.00 0.00 H new ATOM 1030 N GLU A 68 -15.785 2.696 -6.935 1.00 0.00 N ATOM 1031 CA GLU A 68 -16.979 2.030 -7.412 1.00 0.00 C ATOM 1032 C GLU A 68 -17.097 0.652 -6.773 1.00 0.00 C ATOM 1033 O GLU A 68 -18.198 0.169 -6.529 1.00 0.00 O ATOM 1034 CB GLU A 68 -16.929 1.907 -8.936 1.00 0.00 C ATOM 1035 CG GLU A 68 -16.507 3.226 -9.587 1.00 0.00 C ATOM 1036 CD GLU A 68 -17.402 4.380 -9.164 1.00 0.00 C ATOM 1037 OE1 GLU A 68 -18.623 4.276 -9.405 1.00 0.00 O ATOM 1038 OE2 GLU A 68 -16.839 5.341 -8.598 1.00 0.00 O ATOM 0 H GLU A 68 -15.044 2.782 -7.631 1.00 0.00 H new ATOM 0 HA GLU A 68 -17.853 2.619 -7.135 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -16.229 1.120 -9.217 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -17.909 1.611 -9.311 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -15.475 3.450 -9.318 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -16.538 3.122 -10.672 1.00 0.00 H new ATOM 1045 N ASP A 69 -15.962 0.006 -6.499 1.00 0.00 N ATOM 1046 CA ASP A 69 -15.975 -1.310 -5.914 1.00 0.00 C ATOM 1047 C ASP A 69 -15.449 -1.134 -4.513 1.00 0.00 C ATOM 1048 O ASP A 69 -14.401 -1.680 -4.214 1.00 0.00 O ATOM 1049 CB ASP A 69 -15.079 -2.260 -6.712 1.00 0.00 C ATOM 1050 CG ASP A 69 -15.330 -2.192 -8.212 1.00 0.00 C ATOM 1051 OD1 ASP A 69 -14.674 -1.336 -8.851 1.00 0.00 O ATOM 1052 OD2 ASP A 69 -16.164 -2.990 -8.687 1.00 0.00 O ATOM 0 H ASP A 69 -15.031 0.383 -6.677 1.00 0.00 H new ATOM 0 HA ASP A 69 -16.975 -1.744 -5.916 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -14.035 -2.020 -6.512 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -15.243 -3.281 -6.367 1.00 0.00 H new ATOM 1057 N GLU A 70 -16.062 -0.284 -3.691 1.00 0.00 N ATOM 1058 CA GLU A 70 -15.635 -0.076 -2.329 1.00 0.00 C ATOM 1059 C GLU A 70 -15.630 -1.424 -1.618 1.00 0.00 C ATOM 1060 O GLU A 70 -14.588 -2.064 -1.500 1.00 0.00 O ATOM 1061 CB GLU A 70 -16.636 0.899 -1.725 1.00 0.00 C ATOM 1062 CG GLU A 70 -16.540 0.983 -0.209 1.00 0.00 C ATOM 1063 CD GLU A 70 -17.933 1.136 0.370 1.00 0.00 C ATOM 1064 OE1 GLU A 70 -18.653 0.114 0.338 1.00 0.00 O ATOM 1065 OE2 GLU A 70 -18.257 2.258 0.814 1.00 0.00 O ATOM 0 H GLU A 70 -16.870 0.276 -3.962 1.00 0.00 H new ATOM 0 HA GLU A 70 -14.629 0.335 -2.243 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -16.472 1.889 -2.150 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -17.645 0.595 -2.004 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -16.065 0.086 0.188 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -15.917 1.829 0.082 1.00 0.00 H new ATOM 1072 N GLN A 71 -16.807 -1.875 -1.184 1.00 0.00 N ATOM 1073 CA GLN A 71 -16.965 -3.147 -0.506 1.00 0.00 C ATOM 1074 C GLN A 71 -16.307 -4.296 -1.258 1.00 0.00 C ATOM 1075 O GLN A 71 -15.656 -5.144 -0.652 1.00 0.00 O ATOM 1076 CB GLN A 71 -18.455 -3.424 -0.327 1.00 0.00 C ATOM 1077 CG GLN A 71 -18.885 -2.889 1.036 1.00 0.00 C ATOM 1078 CD GLN A 71 -18.103 -3.563 2.156 1.00 0.00 C ATOM 1079 OE1 GLN A 71 -17.599 -4.771 1.913 1.00 0.00 O flip ATOM 1080 NE2 GLN A 71 -17.930 -2.989 3.224 1.00 0.00 N flip ATOM 0 H GLN A 71 -17.679 -1.359 -1.297 1.00 0.00 H new ATOM 0 HA GLN A 71 -16.466 -3.080 0.461 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -19.028 -2.944 -1.121 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -18.652 -4.494 -0.394 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -18.727 -1.811 1.074 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -19.952 -3.060 1.178 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -18.331 -2.063 3.376 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -17.385 -3.436 3.961 1.00 0.00 H new ATOM 1089 N GLU A 72 -16.480 -4.314 -2.577 1.00 0.00 N ATOM 1090 CA GLU A 72 -15.976 -5.377 -3.414 1.00 0.00 C ATOM 1091 C GLU A 72 -14.450 -5.429 -3.361 1.00 0.00 C ATOM 1092 O GLU A 72 -13.852 -6.494 -3.221 1.00 0.00 O ATOM 1093 CB GLU A 72 -16.498 -5.107 -4.826 1.00 0.00 C ATOM 1094 CG GLU A 72 -15.844 -6.002 -5.870 1.00 0.00 C ATOM 1095 CD GLU A 72 -16.188 -7.473 -5.682 1.00 0.00 C ATOM 1096 OE1 GLU A 72 -17.340 -7.744 -5.282 1.00 0.00 O ATOM 1097 OE2 GLU A 72 -15.284 -8.297 -5.943 1.00 0.00 O ATOM 0 H GLU A 72 -16.977 -3.585 -3.089 1.00 0.00 H new ATOM 0 HA GLU A 72 -16.319 -6.353 -3.071 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -17.577 -5.259 -4.846 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -16.318 -4.063 -5.083 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -16.159 -5.684 -6.864 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -14.762 -5.877 -5.823 1.00 0.00 H new ATOM 1104 N ALA A 73 -13.814 -4.268 -3.493 1.00 0.00 N ATOM 1105 CA ALA A 73 -12.376 -4.163 -3.473 1.00 0.00 C ATOM 1106 C ALA A 73 -11.863 -4.508 -2.081 1.00 0.00 C ATOM 1107 O ALA A 73 -11.085 -5.446 -1.916 1.00 0.00 O ATOM 1108 CB ALA A 73 -12.041 -2.734 -3.882 1.00 0.00 C ATOM 0 H ALA A 73 -14.293 -3.376 -3.617 1.00 0.00 H new ATOM 0 HA ALA A 73 -11.896 -4.859 -4.161 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -10.959 -2.600 -3.883 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -12.432 -2.540 -4.881 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -12.492 -2.038 -3.175 1.00 0.00 H new ATOM 1114 N LEU A 74 -12.339 -3.771 -1.076 1.00 0.00 N ATOM 1115 CA LEU A 74 -11.926 -3.934 0.307 1.00 0.00 C ATOM 1116 C LEU A 74 -12.021 -5.392 0.762 1.00 0.00 C ATOM 1117 O LEU A 74 -11.077 -5.905 1.364 1.00 0.00 O ATOM 1118 CB LEU A 74 -12.710 -2.946 1.174 1.00 0.00 C ATOM 1119 CG LEU A 74 -14.214 -3.184 1.114 1.00 0.00 C ATOM 1120 CD1 LEU A 74 -14.645 -4.119 2.229 1.00 0.00 C ATOM 1121 CD2 LEU A 74 -14.947 -1.858 1.271 1.00 0.00 C ATOM 0 H LEU A 74 -13.032 -3.035 -1.209 1.00 0.00 H new ATOM 0 HA LEU A 74 -10.868 -3.694 0.416 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -12.373 -3.028 2.207 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -12.493 -1.929 0.847 1.00 0.00 H new ATOM 0 HG LEU A 74 -14.457 -3.634 0.152 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -15.722 -4.280 2.173 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -14.130 -5.074 2.123 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -14.394 -3.676 3.193 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -16.023 -2.029 1.228 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -14.689 -1.411 2.231 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -14.655 -1.183 0.466 1.00 0.00 H new ATOM 1133 N GLU A 75 -13.121 -6.080 0.429 1.00 0.00 N ATOM 1134 CA GLU A 75 -13.268 -7.482 0.779 1.00 0.00 C ATOM 1135 C GLU A 75 -12.195 -8.346 0.127 1.00 0.00 C ATOM 1136 O GLU A 75 -11.611 -9.189 0.807 1.00 0.00 O ATOM 1137 CB GLU A 75 -14.657 -7.993 0.405 1.00 0.00 C ATOM 1138 CG GLU A 75 -15.734 -7.269 1.213 1.00 0.00 C ATOM 1139 CD GLU A 75 -15.529 -7.391 2.719 1.00 0.00 C ATOM 1140 OE1 GLU A 75 -14.799 -8.316 3.136 1.00 0.00 O ATOM 1141 OE2 GLU A 75 -16.120 -6.547 3.427 1.00 0.00 O ATOM 0 H GLU A 75 -13.912 -5.684 -0.079 1.00 0.00 H new ATOM 0 HA GLU A 75 -13.144 -7.557 1.859 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -14.831 -7.842 -0.660 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -14.717 -9.066 0.589 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -15.741 -6.215 0.937 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -16.711 -7.674 0.951 1.00 0.00 H new ATOM 1148 N LYS A 76 -11.923 -8.154 -1.173 1.00 0.00 N ATOM 1149 CA LYS A 76 -10.904 -8.944 -1.846 1.00 0.00 C ATOM 1150 C LYS A 76 -9.594 -8.782 -1.104 1.00 0.00 C ATOM 1151 O LYS A 76 -8.948 -9.754 -0.727 1.00 0.00 O ATOM 1152 CB LYS A 76 -10.649 -8.453 -3.269 1.00 0.00 C ATOM 1153 CG LYS A 76 -11.877 -8.434 -4.166 1.00 0.00 C ATOM 1154 CD LYS A 76 -11.382 -8.305 -5.610 1.00 0.00 C ATOM 1155 CE LYS A 76 -10.343 -7.187 -5.738 1.00 0.00 C ATOM 1156 NZ LYS A 76 -9.916 -6.993 -7.134 1.00 0.00 N ATOM 0 H LYS A 76 -12.391 -7.467 -1.764 1.00 0.00 H new ATOM 0 HA LYS A 76 -11.256 -9.975 -1.868 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -10.235 -7.446 -3.222 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -9.891 -9.088 -3.727 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -12.460 -9.346 -4.039 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -12.530 -7.600 -3.907 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -10.946 -9.250 -5.934 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -12.225 -8.100 -6.270 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -10.761 -6.257 -5.353 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -9.475 -7.425 -5.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -9.264 -6.184 -7.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -9.433 -7.850 -7.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -10.749 -6.808 -7.729 1.00 0.00 H new ATOM 1170 N LEU A 77 -9.235 -7.519 -0.884 1.00 0.00 N ATOM 1171 CA LEU A 77 -7.977 -7.163 -0.272 1.00 0.00 C ATOM 1172 C LEU A 77 -7.825 -7.763 1.113 1.00 0.00 C ATOM 1173 O LEU A 77 -6.845 -8.463 1.350 1.00 0.00 O ATOM 1174 CB LEU A 77 -7.800 -5.651 -0.290 1.00 0.00 C ATOM 1175 CG LEU A 77 -7.400 -5.239 -1.707 1.00 0.00 C ATOM 1176 CD1 LEU A 77 -6.261 -6.140 -2.139 1.00 0.00 C ATOM 1177 CD2 LEU A 77 -8.490 -5.517 -2.729 1.00 0.00 C ATOM 0 H LEU A 77 -9.817 -6.718 -1.130 1.00 0.00 H new ATOM 0 HA LEU A 77 -7.169 -7.596 -0.861 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -8.725 -5.155 0.004 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -7.035 -5.348 0.425 1.00 0.00 H new ATOM 0 HG LEU A 77 -7.169 -4.174 -1.676 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -5.949 -5.873 -3.149 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -5.421 -6.017 -1.456 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -6.593 -7.178 -2.124 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -8.151 -5.205 -3.717 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -8.713 -6.584 -2.742 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -9.389 -4.962 -2.462 1.00 0.00 H new ATOM 1189 N ALA A 78 -8.764 -7.508 2.028 1.00 0.00 N ATOM 1190 CA ALA A 78 -8.648 -8.074 3.363 1.00 0.00 C ATOM 1191 C ALA A 78 -8.681 -9.600 3.315 1.00 0.00 C ATOM 1192 O ALA A 78 -8.022 -10.256 4.119 1.00 0.00 O ATOM 1193 CB ALA A 78 -9.727 -7.523 4.285 1.00 0.00 C ATOM 0 H ALA A 78 -9.589 -6.929 1.871 1.00 0.00 H new ATOM 0 HA ALA A 78 -7.682 -7.778 3.773 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -9.618 -7.962 5.277 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -9.627 -6.440 4.355 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -10.710 -7.772 3.884 1.00 0.00 H new ATOM 1199 N ALA A 79 -9.430 -10.188 2.377 1.00 0.00 N ATOM 1200 CA ALA A 79 -9.458 -11.629 2.218 1.00 0.00 C ATOM 1201 C ALA A 79 -8.057 -12.118 1.886 1.00 0.00 C ATOM 1202 O ALA A 79 -7.521 -13.023 2.520 1.00 0.00 O ATOM 1203 CB ALA A 79 -10.377 -11.965 1.049 1.00 0.00 C ATOM 0 H ALA A 79 -10.022 -9.680 1.720 1.00 0.00 H new ATOM 0 HA ALA A 79 -9.812 -12.102 3.134 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -10.412 -13.046 0.913 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -11.380 -11.593 1.256 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -9.997 -11.497 0.141 1.00 0.00 H new ATOM 1209 N TYR A 80 -7.469 -11.470 0.886 1.00 0.00 N ATOM 1210 CA TYR A 80 -6.197 -11.838 0.329 1.00 0.00 C ATOM 1211 C TYR A 80 -5.026 -11.600 1.270 1.00 0.00 C ATOM 1212 O TYR A 80 -4.327 -12.541 1.623 1.00 0.00 O ATOM 1213 CB TYR A 80 -6.027 -11.036 -0.952 1.00 0.00 C ATOM 1214 CG TYR A 80 -4.643 -11.177 -1.543 1.00 0.00 C ATOM 1215 CD1 TYR A 80 -4.081 -12.463 -1.661 1.00 0.00 C ATOM 1216 CD2 TYR A 80 -3.800 -10.053 -1.487 1.00 0.00 C ATOM 1217 CE1 TYR A 80 -2.684 -12.622 -1.718 1.00 0.00 C ATOM 1218 CE2 TYR A 80 -2.407 -10.214 -1.548 1.00 0.00 C ATOM 1219 CZ TYR A 80 -1.853 -11.490 -1.717 1.00 0.00 C ATOM 1220 OH TYR A 80 -0.505 -11.617 -1.852 1.00 0.00 O ATOM 0 H TYR A 80 -7.885 -10.654 0.437 1.00 0.00 H new ATOM 0 HA TYR A 80 -6.193 -12.912 0.142 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -6.766 -11.364 -1.683 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -6.226 -9.984 -0.747 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -4.724 -13.329 -1.708 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -4.225 -9.064 -1.397 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -2.252 -13.611 -1.762 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -1.761 -9.353 -1.465 1.00 0.00 H new ATOM 0 HH TYR A 80 -0.094 -10.728 -1.878 1.00 0.00 H new ATOM 1230 N VAL A 81 -4.787 -10.350 1.660 1.00 0.00 N ATOM 1231 CA VAL A 81 -3.611 -9.933 2.420 1.00 0.00 C ATOM 1232 C VAL A 81 -3.277 -10.792 3.628 1.00 0.00 C ATOM 1233 O VAL A 81 -2.100 -10.910 3.962 1.00 0.00 O ATOM 1234 CB VAL A 81 -3.792 -8.494 2.881 1.00 0.00 C ATOM 1235 CG1 VAL A 81 -3.969 -7.637 1.638 1.00 0.00 C ATOM 1236 CG2 VAL A 81 -5.018 -8.395 3.789 1.00 0.00 C ATOM 0 H VAL A 81 -5.422 -9.580 1.451 1.00 0.00 H new ATOM 0 HA VAL A 81 -2.773 -10.046 1.732 1.00 0.00 H new ATOM 0 HB VAL A 81 -2.928 -8.151 3.450 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -4.102 -6.595 1.930 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -3.086 -7.727 1.005 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -4.846 -7.974 1.086 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -5.145 -7.363 4.118 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -5.904 -8.713 3.240 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -4.880 -9.038 4.658 1.00 0.00 H new ATOM 1246 N GLN A 82 -4.306 -11.339 4.273 1.00 0.00 N ATOM 1247 CA GLN A 82 -4.238 -12.135 5.484 1.00 0.00 C ATOM 1248 C GLN A 82 -4.284 -13.650 5.226 1.00 0.00 C ATOM 1249 O GLN A 82 -4.042 -14.448 6.126 1.00 0.00 O ATOM 1250 CB GLN A 82 -5.525 -11.783 6.246 1.00 0.00 C ATOM 1251 CG GLN A 82 -6.665 -12.464 5.495 1.00 0.00 C ATOM 1252 CD GLN A 82 -7.912 -12.681 6.324 1.00 0.00 C ATOM 1253 OE1 GLN A 82 -9.039 -12.274 5.765 1.00 0.00 O flip ATOM 1254 NE2 GLN A 82 -7.865 -13.212 7.428 1.00 0.00 N flip ATOM 0 H GLN A 82 -5.263 -11.228 3.939 1.00 0.00 H new ATOM 0 HA GLN A 82 -3.303 -11.923 6.002 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -5.475 -12.133 7.277 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -5.673 -10.704 6.282 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -6.922 -11.862 4.624 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -6.316 -13.428 5.125 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -6.968 -13.508 7.814 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -8.723 -13.358 7.961 1.00 0.00 H new ATOM 1263 N GLU A 83 -4.650 -14.020 3.999 1.00 0.00 N ATOM 1264 CA GLU A 83 -5.126 -15.319 3.549 1.00 0.00 C ATOM 1265 C GLU A 83 -4.216 -16.532 3.742 1.00 0.00 C ATOM 1266 O GLU A 83 -4.624 -17.647 3.425 1.00 0.00 O ATOM 1267 CB GLU A 83 -5.530 -15.112 2.092 1.00 0.00 C ATOM 1268 CG GLU A 83 -6.367 -16.248 1.511 1.00 0.00 C ATOM 1269 CD GLU A 83 -6.733 -15.961 0.060 1.00 0.00 C ATOM 1270 OE1 GLU A 83 -6.543 -14.798 -0.366 1.00 0.00 O ATOM 1271 OE2 GLU A 83 -7.204 -16.912 -0.600 1.00 0.00 O ATOM 0 H GLU A 83 -4.616 -13.354 3.228 1.00 0.00 H new ATOM 0 HA GLU A 83 -5.950 -15.613 4.199 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -6.093 -14.182 2.011 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -4.629 -14.994 1.490 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -5.811 -17.184 1.573 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -7.274 -16.376 2.101 1.00 0.00 H new ATOM 1278 N GLU A 84 -2.997 -16.358 4.245 1.00 0.00 N ATOM 1279 CA GLU A 84 -2.114 -17.488 4.456 1.00 0.00 C ATOM 1280 C GLU A 84 -0.942 -17.053 5.328 1.00 0.00 C ATOM 1281 O GLU A 84 -1.139 -16.633 6.468 1.00 0.00 O ATOM 1282 CB GLU A 84 -1.715 -18.044 3.082 1.00 0.00 C ATOM 1283 CG GLU A 84 -1.168 -16.955 2.151 1.00 0.00 C ATOM 1284 CD GLU A 84 -1.854 -17.023 0.795 1.00 0.00 C ATOM 1285 OE1 GLU A 84 -2.995 -16.518 0.719 1.00 0.00 O ATOM 1286 OE2 GLU A 84 -1.217 -17.559 -0.135 1.00 0.00 O ATOM 0 H GLU A 84 -2.606 -15.454 4.510 1.00 0.00 H new ATOM 0 HA GLU A 84 -2.599 -18.300 4.998 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -0.961 -18.821 3.212 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -2.581 -18.515 2.617 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -1.326 -15.973 2.597 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -0.092 -17.079 2.028 1.00 0.00 H new ATOM 1293 N VAL A 85 0.255 -17.087 4.746 1.00 0.00 N ATOM 1294 CA VAL A 85 1.515 -16.626 5.300 1.00 0.00 C ATOM 1295 C VAL A 85 2.438 -16.411 4.103 1.00 0.00 C ATOM 1296 O VAL A 85 2.814 -17.413 3.420 1.00 0.00 O ATOM 1297 CB VAL A 85 2.133 -17.677 6.305 1.00 0.00 C ATOM 1298 CG1 VAL A 85 2.118 -19.162 5.845 1.00 0.00 C ATOM 1299 CG2 VAL A 85 3.602 -17.385 6.694 1.00 0.00 C ATOM 1300 OXT VAL A 85 2.826 -15.242 3.794 1.00 0.00 O ATOM 0 H VAL A 85 0.372 -17.466 3.806 1.00 0.00 H new ATOM 0 HA VAL A 85 1.376 -15.711 5.876 1.00 0.00 H new ATOM 0 HB VAL A 85 1.454 -17.552 7.148 1.00 0.00 H new ATOM 0 HG11 VAL A 85 2.568 -19.787 6.617 1.00 0.00 H new ATOM 0 HG12 VAL A 85 1.089 -19.480 5.675 1.00 0.00 H new ATOM 0 HG13 VAL A 85 2.686 -19.262 4.920 1.00 0.00 H new ATOM 0 HG21 VAL A 85 3.954 -18.150 7.386 1.00 0.00 H new ATOM 0 HG22 VAL A 85 4.224 -17.392 5.799 1.00 0.00 H new ATOM 0 HG23 VAL A 85 3.664 -16.407 7.172 1.00 0.00 H new TER 1310 VAL A 85