USER MOD reduce.3.24.130724 H: found=0, std=0, add=842, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 835 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: B 5 A O2' : rot 20:sc= 0.107 USER MOD Set 1.2: B 6 U O3' : rot -99:sc= 0.417 USER MOD Set 2.1: A 34 CYS SG : rot -113:sc= 0.614 USER MOD Set 2.2: A 69 MET CE :methyl 179:sc= -1.07 (180deg=-1.08) USER MOD Single : A 1 MET CE :methyl 168:sc=-0.00657 (180deg=-0.227) USER MOD Single : A 1 MET N :NH3+ 138:sc= 0.00812 (180deg=0) USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ -170:sc= 1.19 (180deg=0.953) USER MOD Single : A 21 SER OG : rot 180:sc= -0.0131 USER MOD Single : A 22 CYS SG : rot 180:sc= -0.311 USER MOD Single : A 23 SER OG : rot 180:sc= -0.217 USER MOD Single : A 28 GLN : amide:sc= -0.784 X(o=-0.78,f=-0.29) USER MOD Single : A 29 ASN : amide:sc= 0.587 K(o=0.59,f=-0.1) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 HIS : no HE2:sc= 0.28 K(o=0.28,f=-1.1) USER MOD Single : A 44 HIS : no HD1:sc= -0.0237 X(o=-0.024,f=-0.024) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 180:sc= -0.0247 USER MOD Single : A 53 GLN : amide:sc= 0.746 K(o=0.75,f=-0.14) USER MOD Single : A 54 SER OG : rot 180:sc=-0.00344 USER MOD Single : A 63 SER OG : rot 180:sc=-0.00972 USER MOD Single : A 68 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.05) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ -168:sc= 1.01 (180deg=0.765) USER MOD Single : A 77 SER OG : rot 44:sc= 0.775 USER MOD Single : A 78 MET CE :methyl 156:sc= -1.59 (180deg=-3.55!) USER MOD Single : A 80 HIS : no HD1:sc= -0.995 K(o=-1,f=-0.28) USER MOD Single : A 82 TYR OH : rot 89:sc= 0.0934 USER MOD Single : A 87 LYS NZ :NH3+ -168:sc= 1.16 (180deg=0.966) USER MOD Single : A 88 SER OG : rot 42:sc= 0.0893 USER MOD Single : A 89 HIS : no HD1:sc= -0.527 K(o=-0.53,f=-1.4) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 MET CE :methyl -159:sc= -0.08 (180deg=-0.626) USER MOD Single : A 98 LYS NZ :NH3+ 158:sc= 1.2 (180deg=0.954) USER MOD Single : A 99 HIS : no HE2:sc= 0.0999 K(o=0.1,f=-1.5) USER MOD Single : A 100 SER OG : rot 150:sc= 0.862 USER MOD Single : B 1 A O2' : rot -72:sc= 0.869 USER MOD Single : B 1 A O5' : rot 180:sc= 0 USER MOD Single : B 2 G O2' : rot -156:sc= 0.252 USER MOD Single : B 3 G O2' : rot 15:sc= 0.342 USER MOD Single : B 4 G O2' : rot -74:sc= 1.11 USER MOD Single : B 6 U O2' : rot -14:sc= 0.159 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -17.937 -21.482 12.795 1.00 0.00 N ATOM 2 CA MET A 1 -16.500 -21.196 12.623 1.00 0.00 C ATOM 3 C MET A 1 -16.024 -21.678 11.257 1.00 0.00 C ATOM 4 O MET A 1 -16.377 -22.777 10.829 1.00 0.00 O ATOM 5 CB MET A 1 -15.682 -21.847 13.744 1.00 0.00 C ATOM 6 CG MET A 1 -14.209 -21.452 13.639 1.00 0.00 C ATOM 7 SD MET A 1 -13.166 -22.079 14.981 1.00 0.00 S ATOM 8 CE MET A 1 -13.286 -23.858 14.661 1.00 0.00 C ATOM 0 H1 MET A 1 -18.108 -21.836 13.758 1.00 0.00 H new ATOM 0 H2 MET A 1 -18.485 -20.611 12.645 1.00 0.00 H new ATOM 0 H3 MET A 1 -18.233 -22.201 12.104 1.00 0.00 H new ATOM 0 HA MET A 1 -16.352 -20.118 12.678 1.00 0.00 H new ATOM 0 HB2 MET A 1 -16.077 -21.542 14.713 1.00 0.00 H new ATOM 0 HB3 MET A 1 -15.778 -22.931 13.688 1.00 0.00 H new ATOM 0 HG2 MET A 1 -13.815 -21.815 12.690 1.00 0.00 H new ATOM 0 HG3 MET A 1 -14.138 -20.365 13.618 1.00 0.00 H new ATOM 0 HE1 MET A 1 -12.540 -24.386 15.256 1.00 0.00 H new ATOM 0 HE2 MET A 1 -14.281 -24.210 14.932 1.00 0.00 H new ATOM 0 HE3 MET A 1 -13.109 -24.050 13.603 1.00 0.00 H new ATOM 18 N MET A 2 -15.223 -20.857 10.571 1.00 0.00 N ATOM 19 CA MET A 2 -14.691 -21.183 9.256 1.00 0.00 C ATOM 20 C MET A 2 -13.335 -20.501 9.065 1.00 0.00 C ATOM 21 O MET A 2 -13.032 -19.515 9.738 1.00 0.00 O ATOM 22 CB MET A 2 -15.696 -20.720 8.196 1.00 0.00 C ATOM 23 CG MET A 2 -15.269 -21.125 6.786 1.00 0.00 C ATOM 24 SD MET A 2 -16.494 -20.725 5.513 1.00 0.00 S ATOM 25 CE MET A 2 -15.605 -21.343 4.061 1.00 0.00 C ATOM 0 H MET A 2 -14.928 -19.945 10.919 1.00 0.00 H new ATOM 0 HA MET A 2 -14.542 -22.258 9.160 1.00 0.00 H new ATOM 0 HB2 MET A 2 -16.675 -21.146 8.415 1.00 0.00 H new ATOM 0 HB3 MET A 2 -15.802 -19.636 8.245 1.00 0.00 H new ATOM 0 HG2 MET A 2 -14.330 -20.628 6.543 1.00 0.00 H new ATOM 0 HG3 MET A 2 -15.076 -22.198 6.768 1.00 0.00 H new ATOM 0 HE1 MET A 2 -16.210 -21.182 3.168 1.00 0.00 H new ATOM 0 HE2 MET A 2 -14.659 -20.811 3.960 1.00 0.00 H new ATOM 0 HE3 MET A 2 -15.410 -22.409 4.180 1.00 0.00 H new ATOM 35 N LEU A 3 -12.520 -21.027 8.147 1.00 0.00 N ATOM 36 CA LEU A 3 -11.199 -20.494 7.850 1.00 0.00 C ATOM 37 C LEU A 3 -10.824 -20.779 6.395 1.00 0.00 C ATOM 38 O LEU A 3 -11.604 -21.377 5.653 1.00 0.00 O ATOM 39 CB LEU A 3 -10.173 -21.062 8.844 1.00 0.00 C ATOM 40 CG LEU A 3 -10.179 -22.591 8.987 1.00 0.00 C ATOM 41 CD1 LEU A 3 -9.735 -23.312 7.716 1.00 0.00 C ATOM 42 CD2 LEU A 3 -9.211 -22.968 10.107 1.00 0.00 C ATOM 0 H LEU A 3 -12.766 -21.843 7.587 1.00 0.00 H new ATOM 0 HA LEU A 3 -11.205 -19.410 7.968 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -9.177 -20.746 8.534 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -10.357 -20.621 9.824 1.00 0.00 H new ATOM 0 HG LEU A 3 -11.204 -22.896 9.199 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -9.761 -24.389 7.881 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -10.407 -23.054 6.898 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -8.720 -23.008 7.461 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -9.198 -24.051 10.228 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -8.210 -22.619 9.855 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -9.534 -22.503 11.039 1.00 0.00 H new ATOM 54 N GLY A 4 -9.626 -20.352 5.986 1.00 0.00 N ATOM 55 CA GLY A 4 -9.145 -20.539 4.627 1.00 0.00 C ATOM 56 C GLY A 4 -7.693 -20.085 4.486 1.00 0.00 C ATOM 57 O GLY A 4 -7.068 -19.696 5.473 1.00 0.00 O ATOM 0 H GLY A 4 -8.966 -19.867 6.594 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -9.228 -21.590 4.351 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -9.773 -19.977 3.936 1.00 0.00 H new ATOM 61 N PRO A 5 -7.150 -20.133 3.263 1.00 0.00 N ATOM 62 CA PRO A 5 -5.781 -19.742 2.963 1.00 0.00 C ATOM 63 C PRO A 5 -5.594 -18.223 3.020 1.00 0.00 C ATOM 64 O PRO A 5 -4.477 -17.736 2.848 1.00 0.00 O ATOM 65 CB PRO A 5 -5.523 -20.276 1.553 1.00 0.00 C ATOM 66 CG PRO A 5 -6.908 -20.226 0.909 1.00 0.00 C ATOM 67 CD PRO A 5 -7.838 -20.579 2.067 1.00 0.00 C ATOM 0 HA PRO A 5 -5.080 -20.145 3.694 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -4.804 -19.660 1.013 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -5.123 -21.290 1.572 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -7.128 -19.239 0.501 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -6.997 -20.938 0.088 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -8.803 -20.083 1.961 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -8.032 -21.651 2.102 1.00 0.00 H new ATOM 75 N GLU A 6 -6.673 -17.473 3.260 1.00 0.00 N ATOM 76 CA GLU A 6 -6.629 -16.021 3.364 1.00 0.00 C ATOM 77 C GLU A 6 -7.765 -15.513 4.253 1.00 0.00 C ATOM 78 O GLU A 6 -8.592 -16.293 4.724 1.00 0.00 O ATOM 79 CB GLU A 6 -6.723 -15.393 1.969 1.00 0.00 C ATOM 80 CG GLU A 6 -8.059 -15.705 1.289 1.00 0.00 C ATOM 81 CD GLU A 6 -8.172 -14.961 -0.040 1.00 0.00 C ATOM 82 OE1 GLU A 6 -8.499 -13.754 0.004 1.00 0.00 O ATOM 83 OE2 GLU A 6 -7.933 -15.604 -1.087 1.00 0.00 O ATOM 0 H GLU A 6 -7.606 -17.864 3.388 1.00 0.00 H new ATOM 0 HA GLU A 6 -5.682 -15.731 3.819 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -6.600 -14.313 2.049 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -5.906 -15.762 1.349 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -8.145 -16.778 1.120 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -8.882 -15.418 1.944 1.00 0.00 H new ATOM 90 N GLY A 7 -7.803 -14.198 4.478 1.00 0.00 N ATOM 91 CA GLY A 7 -8.832 -13.561 5.283 1.00 0.00 C ATOM 92 C GLY A 7 -8.747 -12.043 5.160 1.00 0.00 C ATOM 93 O GLY A 7 -7.881 -11.522 4.458 1.00 0.00 O ATOM 0 H GLY A 7 -7.114 -13.547 4.102 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -9.816 -13.903 4.962 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -8.718 -13.854 6.327 1.00 0.00 H new ATOM 97 N GLY A 8 -9.643 -11.331 5.844 1.00 0.00 N ATOM 98 CA GLY A 8 -9.662 -9.878 5.839 1.00 0.00 C ATOM 99 C GLY A 8 -10.867 -9.340 6.602 1.00 0.00 C ATOM 100 O GLY A 8 -11.747 -10.103 7.002 1.00 0.00 O ATOM 0 H GLY A 8 -10.375 -11.752 6.416 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -8.744 -9.498 6.288 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -9.687 -9.516 4.811 1.00 0.00 H new ATOM 104 N GLU A 9 -10.904 -8.020 6.803 1.00 0.00 N ATOM 105 CA GLU A 9 -11.972 -7.357 7.543 1.00 0.00 C ATOM 106 C GLU A 9 -12.277 -5.975 6.959 1.00 0.00 C ATOM 107 O GLU A 9 -12.977 -5.182 7.588 1.00 0.00 O ATOM 108 CB GLU A 9 -11.584 -7.222 9.019 1.00 0.00 C ATOM 109 CG GLU A 9 -11.398 -8.581 9.694 1.00 0.00 C ATOM 110 CD GLU A 9 -11.108 -8.411 11.183 1.00 0.00 C ATOM 111 OE1 GLU A 9 -9.913 -8.278 11.529 1.00 0.00 O ATOM 112 OE2 GLU A 9 -12.084 -8.415 11.967 1.00 0.00 O ATOM 0 H GLU A 9 -10.189 -7.382 6.454 1.00 0.00 H new ATOM 0 HA GLU A 9 -12.870 -7.969 7.458 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -10.660 -6.649 9.099 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -12.355 -6.659 9.546 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -12.296 -9.185 9.560 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -10.578 -9.119 9.218 1.00 0.00 H new ATOM 119 N GLY A 10 -11.763 -5.673 5.762 1.00 0.00 N ATOM 120 CA GLY A 10 -11.990 -4.382 5.135 1.00 0.00 C ATOM 121 C GLY A 10 -11.708 -4.405 3.635 1.00 0.00 C ATOM 122 O GLY A 10 -10.977 -5.260 3.138 1.00 0.00 O ATOM 0 H GLY A 10 -11.187 -6.311 5.213 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -13.023 -4.076 5.303 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -11.355 -3.634 5.610 1.00 0.00 H new ATOM 126 N PHE A 11 -12.303 -3.447 2.921 1.00 0.00 N ATOM 127 CA PHE A 11 -12.140 -3.269 1.484 1.00 0.00 C ATOM 128 C PHE A 11 -10.956 -2.349 1.207 1.00 0.00 C ATOM 129 O PHE A 11 -11.093 -1.320 0.547 1.00 0.00 O ATOM 130 CB PHE A 11 -13.432 -2.711 0.887 1.00 0.00 C ATOM 131 CG PHE A 11 -14.670 -3.493 1.266 1.00 0.00 C ATOM 132 CD1 PHE A 11 -14.601 -4.882 1.447 1.00 0.00 C ATOM 133 CD2 PHE A 11 -15.890 -2.826 1.440 1.00 0.00 C ATOM 134 CE1 PHE A 11 -15.749 -5.600 1.803 1.00 0.00 C ATOM 135 CE2 PHE A 11 -17.038 -3.545 1.799 1.00 0.00 C ATOM 136 CZ PHE A 11 -16.968 -4.933 1.981 1.00 0.00 C ATOM 0 H PHE A 11 -12.927 -2.758 3.341 1.00 0.00 H new ATOM 0 HA PHE A 11 -11.935 -4.231 1.014 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -13.554 -1.677 1.211 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -13.342 -2.696 -0.199 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -13.662 -5.398 1.312 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -15.946 -1.757 1.297 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -15.695 -6.670 1.941 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -17.977 -3.029 1.936 1.00 0.00 H new ATOM 0 HZ PHE A 11 -17.852 -5.487 2.258 1.00 0.00 H new ATOM 146 N VAL A 12 -9.786 -2.729 1.719 1.00 0.00 N ATOM 147 CA VAL A 12 -8.577 -1.928 1.610 1.00 0.00 C ATOM 148 C VAL A 12 -7.429 -2.817 1.152 1.00 0.00 C ATOM 149 O VAL A 12 -7.430 -4.021 1.408 1.00 0.00 O ATOM 150 CB VAL A 12 -8.278 -1.289 2.974 1.00 0.00 C ATOM 151 CG1 VAL A 12 -6.992 -0.463 2.947 1.00 0.00 C ATOM 152 CG2 VAL A 12 -9.422 -0.364 3.394 1.00 0.00 C ATOM 0 H VAL A 12 -9.654 -3.606 2.223 1.00 0.00 H new ATOM 0 HA VAL A 12 -8.707 -1.132 0.877 1.00 0.00 H new ATOM 0 HB VAL A 12 -8.164 -2.108 3.684 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -6.818 -0.029 3.931 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -6.153 -1.105 2.680 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -7.087 0.335 2.210 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -9.194 0.080 4.363 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -9.543 0.425 2.652 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -10.346 -0.938 3.467 1.00 0.00 H new ATOM 162 N VAL A 13 -6.446 -2.221 0.474 1.00 0.00 N ATOM 163 CA VAL A 13 -5.261 -2.940 0.017 1.00 0.00 C ATOM 164 C VAL A 13 -4.006 -2.099 0.227 1.00 0.00 C ATOM 165 O VAL A 13 -4.088 -0.923 0.579 1.00 0.00 O ATOM 166 CB VAL A 13 -5.398 -3.345 -1.458 1.00 0.00 C ATOM 167 CG1 VAL A 13 -6.552 -4.329 -1.634 1.00 0.00 C ATOM 168 CG2 VAL A 13 -5.623 -2.139 -2.371 1.00 0.00 C ATOM 0 H VAL A 13 -6.451 -1.231 0.229 1.00 0.00 H new ATOM 0 HA VAL A 13 -5.170 -3.849 0.611 1.00 0.00 H new ATOM 0 HB VAL A 13 -4.458 -3.816 -1.745 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -6.636 -4.607 -2.685 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -6.364 -5.221 -1.037 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -7.481 -3.863 -1.306 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -5.714 -2.476 -3.404 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -6.537 -1.625 -2.076 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -4.778 -1.455 -2.286 1.00 0.00 H new ATOM 178 N LYS A 14 -2.842 -2.714 0.007 1.00 0.00 N ATOM 179 CA LYS A 14 -1.550 -2.048 0.126 1.00 0.00 C ATOM 180 C LYS A 14 -0.933 -1.889 -1.261 1.00 0.00 C ATOM 181 O LYS A 14 -1.349 -2.557 -2.205 1.00 0.00 O ATOM 182 CB LYS A 14 -0.600 -2.849 1.023 1.00 0.00 C ATOM 183 CG LYS A 14 -1.306 -3.557 2.182 1.00 0.00 C ATOM 184 CD LYS A 14 -0.271 -4.244 3.074 1.00 0.00 C ATOM 185 CE LYS A 14 -0.967 -5.216 4.027 1.00 0.00 C ATOM 186 NZ LYS A 14 -0.003 -5.843 4.948 1.00 0.00 N ATOM 0 H LYS A 14 -2.773 -3.696 -0.261 1.00 0.00 H new ATOM 0 HA LYS A 14 -1.705 -1.069 0.579 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -0.080 -3.591 0.417 1.00 0.00 H new ATOM 0 HB3 LYS A 14 0.159 -2.178 1.426 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -1.881 -2.837 2.764 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -2.012 -4.292 1.796 1.00 0.00 H new ATOM 0 HD2 LYS A 14 0.453 -4.779 2.460 1.00 0.00 H new ATOM 0 HD3 LYS A 14 0.284 -3.498 3.643 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -1.728 -4.686 4.599 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -1.480 -5.988 3.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -0.469 -6.616 5.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 0.799 -6.223 4.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 0.342 -5.133 5.625 1.00 0.00 H new ATOM 200 N LEU A 15 0.061 -1.008 -1.383 1.00 0.00 N ATOM 201 CA LEU A 15 0.756 -0.766 -2.633 1.00 0.00 C ATOM 202 C LEU A 15 2.252 -0.622 -2.358 1.00 0.00 C ATOM 203 O LEU A 15 2.654 0.015 -1.385 1.00 0.00 O ATOM 204 CB LEU A 15 0.175 0.524 -3.216 1.00 0.00 C ATOM 205 CG LEU A 15 0.162 0.623 -4.741 1.00 0.00 C ATOM 206 CD1 LEU A 15 1.526 0.370 -5.375 1.00 0.00 C ATOM 207 CD2 LEU A 15 -0.855 -0.349 -5.334 1.00 0.00 C ATOM 0 H LEU A 15 0.404 -0.442 -0.607 1.00 0.00 H new ATOM 0 HA LEU A 15 0.628 -1.588 -3.338 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -0.848 0.634 -2.856 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.744 1.366 -2.822 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.118 1.651 -4.971 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.445 0.456 -6.459 1.00 0.00 H new ATOM 0 HD12 LEU A 15 2.241 1.105 -5.005 1.00 0.00 H new ATOM 0 HD13 LEU A 15 1.868 -0.632 -5.115 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.849 -0.263 -6.421 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.594 -1.368 -5.049 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.849 -0.110 -4.957 1.00 0.00 H new ATOM 219 N ARG A 16 3.071 -1.220 -3.225 1.00 0.00 N ATOM 220 CA ARG A 16 4.527 -1.173 -3.168 1.00 0.00 C ATOM 221 C ARG A 16 5.046 -1.228 -4.600 1.00 0.00 C ATOM 222 O ARG A 16 4.420 -1.848 -5.458 1.00 0.00 O ATOM 223 CB ARG A 16 5.059 -2.386 -2.398 1.00 0.00 C ATOM 224 CG ARG A 16 4.872 -2.219 -0.891 1.00 0.00 C ATOM 225 CD ARG A 16 5.520 -3.397 -0.165 1.00 0.00 C ATOM 226 NE ARG A 16 5.630 -3.148 1.276 1.00 0.00 N ATOM 227 CZ ARG A 16 5.785 -4.101 2.199 1.00 0.00 C ATOM 228 NH1 ARG A 16 5.822 -5.388 1.861 1.00 0.00 N ATOM 229 NH2 ARG A 16 5.904 -3.762 3.479 1.00 0.00 N ATOM 0 H ARG A 16 2.724 -1.768 -4.012 1.00 0.00 H new ATOM 0 HA ARG A 16 4.856 -0.264 -2.665 1.00 0.00 H new ATOM 0 HB2 ARG A 16 4.542 -3.286 -2.732 1.00 0.00 H new ATOM 0 HB3 ARG A 16 6.117 -2.525 -2.621 1.00 0.00 H new ATOM 0 HG2 ARG A 16 5.320 -1.282 -0.560 1.00 0.00 H new ATOM 0 HG3 ARG A 16 3.811 -2.168 -0.649 1.00 0.00 H new ATOM 0 HD2 ARG A 16 4.931 -4.298 -0.335 1.00 0.00 H new ATOM 0 HD3 ARG A 16 6.511 -3.580 -0.580 1.00 0.00 H new ATOM 0 HE ARG A 16 5.585 -2.180 1.595 1.00 0.00 H new ATOM 0 HH11 ARG A 16 5.731 -5.661 0.882 1.00 0.00 H new ATOM 0 HH12 ARG A 16 5.941 -6.101 2.581 1.00 0.00 H new ATOM 0 HH21 ARG A 16 5.877 -2.779 3.751 1.00 0.00 H new ATOM 0 HH22 ARG A 16 6.023 -4.485 4.189 1.00 0.00 H new ATOM 243 N GLY A 17 6.183 -0.589 -4.870 1.00 0.00 N ATOM 244 CA GLY A 17 6.797 -0.662 -6.185 1.00 0.00 C ATOM 245 C GLY A 17 7.450 0.650 -6.593 1.00 0.00 C ATOM 246 O GLY A 17 7.465 1.605 -5.820 1.00 0.00 O ATOM 0 H GLY A 17 6.692 -0.018 -4.195 1.00 0.00 H new ATOM 0 HA2 GLY A 17 7.545 -1.454 -6.190 1.00 0.00 H new ATOM 0 HA3 GLY A 17 6.041 -0.933 -6.922 1.00 0.00 H new ATOM 250 N LEU A 18 7.984 0.665 -7.820 1.00 0.00 N ATOM 251 CA LEU A 18 8.695 1.795 -8.415 1.00 0.00 C ATOM 252 C LEU A 18 9.931 2.244 -7.622 1.00 0.00 C ATOM 253 O LEU A 18 10.008 2.028 -6.415 1.00 0.00 O ATOM 254 CB LEU A 18 7.726 2.968 -8.609 1.00 0.00 C ATOM 255 CG LEU A 18 6.500 2.603 -9.448 1.00 0.00 C ATOM 256 CD1 LEU A 18 5.714 3.874 -9.757 1.00 0.00 C ATOM 257 CD2 LEU A 18 6.928 1.937 -10.754 1.00 0.00 C ATOM 0 H LEU A 18 7.929 -0.139 -8.445 1.00 0.00 H new ATOM 0 HA LEU A 18 9.074 1.452 -9.378 1.00 0.00 H new ATOM 0 HB2 LEU A 18 7.397 3.325 -7.633 1.00 0.00 H new ATOM 0 HB3 LEU A 18 8.254 3.792 -9.088 1.00 0.00 H new ATOM 0 HG LEU A 18 5.877 1.905 -8.888 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.838 3.624 -10.355 1.00 0.00 H new ATOM 0 HD12 LEU A 18 5.396 4.341 -8.825 1.00 0.00 H new ATOM 0 HD13 LEU A 18 6.346 4.567 -10.312 1.00 0.00 H new ATOM 0 HD21 LEU A 18 6.044 1.683 -11.340 1.00 0.00 H new ATOM 0 HD22 LEU A 18 7.556 2.622 -11.323 1.00 0.00 H new ATOM 0 HD23 LEU A 18 7.489 1.029 -10.533 1.00 0.00 H new ATOM 269 N PRO A 19 10.904 2.874 -8.304 1.00 0.00 N ATOM 270 CA PRO A 19 12.104 3.467 -7.727 1.00 0.00 C ATOM 271 C PRO A 19 11.840 4.369 -6.518 1.00 0.00 C ATOM 272 O PRO A 19 11.695 5.582 -6.661 1.00 0.00 O ATOM 273 CB PRO A 19 12.780 4.233 -8.868 1.00 0.00 C ATOM 274 CG PRO A 19 12.332 3.467 -10.107 1.00 0.00 C ATOM 275 CD PRO A 19 10.909 3.052 -9.745 1.00 0.00 C ATOM 0 HA PRO A 19 12.742 2.681 -7.322 1.00 0.00 H new ATOM 0 HB2 PRO A 19 12.460 5.275 -8.900 1.00 0.00 H new ATOM 0 HB3 PRO A 19 13.865 4.235 -8.765 1.00 0.00 H new ATOM 0 HG2 PRO A 19 12.357 4.091 -11.000 1.00 0.00 H new ATOM 0 HG3 PRO A 19 12.969 2.604 -10.302 1.00 0.00 H new ATOM 0 HD2 PRO A 19 10.190 3.814 -10.048 1.00 0.00 H new ATOM 0 HD3 PRO A 19 10.629 2.130 -10.254 1.00 0.00 H new ATOM 283 N TRP A 20 11.781 3.759 -5.331 1.00 0.00 N ATOM 284 CA TRP A 20 11.603 4.417 -4.040 1.00 0.00 C ATOM 285 C TRP A 20 10.429 5.406 -3.943 1.00 0.00 C ATOM 286 O TRP A 20 10.292 6.048 -2.902 1.00 0.00 O ATOM 287 CB TRP A 20 12.894 5.161 -3.665 1.00 0.00 C ATOM 288 CG TRP A 20 14.103 4.392 -3.218 1.00 0.00 C ATOM 289 CD1 TRP A 20 15.286 4.981 -2.934 1.00 0.00 C ATOM 290 CD2 TRP A 20 14.318 2.960 -2.979 1.00 0.00 C ATOM 291 NE1 TRP A 20 16.198 4.041 -2.514 1.00 0.00 N ATOM 292 CE2 TRP A 20 15.644 2.781 -2.485 1.00 0.00 C ATOM 293 CE3 TRP A 20 13.535 1.794 -3.092 1.00 0.00 C ATOM 294 CZ2 TRP A 20 16.143 1.538 -2.084 1.00 0.00 C ATOM 295 CZ3 TRP A 20 14.032 0.548 -2.683 1.00 0.00 C ATOM 296 CH2 TRP A 20 15.323 0.416 -2.172 1.00 0.00 C ATOM 0 H TRP A 20 11.860 2.746 -5.243 1.00 0.00 H new ATOM 0 HA TRP A 20 11.365 3.608 -3.350 1.00 0.00 H new ATOM 0 HB2 TRP A 20 13.189 5.754 -4.531 1.00 0.00 H new ATOM 0 HB3 TRP A 20 12.644 5.862 -2.869 1.00 0.00 H new ATOM 0 HD1 TRP A 20 15.486 6.038 -3.024 1.00 0.00 H new ATOM 0 HE1 TRP A 20 17.162 4.251 -2.257 1.00 0.00 H new ATOM 0 HE3 TRP A 20 12.537 1.861 -3.500 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 17.152 1.449 -1.710 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 13.403 -0.326 -2.765 1.00 0.00 H new ATOM 0 HH2 TRP A 20 15.684 -0.549 -1.847 1.00 0.00 H new ATOM 307 N SER A 21 9.576 5.569 -4.960 1.00 0.00 N ATOM 308 CA SER A 21 8.536 6.592 -4.883 1.00 0.00 C ATOM 309 C SER A 21 7.328 6.291 -5.769 1.00 0.00 C ATOM 310 O SER A 21 7.415 5.512 -6.716 1.00 0.00 O ATOM 311 CB SER A 21 9.147 7.934 -5.289 1.00 0.00 C ATOM 312 OG SER A 21 8.219 8.976 -5.074 1.00 0.00 O ATOM 0 H SER A 21 9.585 5.022 -5.821 1.00 0.00 H new ATOM 0 HA SER A 21 8.169 6.615 -3.857 1.00 0.00 H new ATOM 0 HB2 SER A 21 10.053 8.119 -4.712 1.00 0.00 H new ATOM 0 HB3 SER A 21 9.438 7.907 -6.339 1.00 0.00 H new ATOM 0 HG SER A 21 8.621 9.831 -5.335 1.00 0.00 H new ATOM 318 N CYS A 22 6.197 6.925 -5.443 1.00 0.00 N ATOM 319 CA CYS A 22 4.926 6.774 -6.136 1.00 0.00 C ATOM 320 C CYS A 22 4.029 7.972 -5.789 1.00 0.00 C ATOM 321 O CYS A 22 4.379 8.771 -4.921 1.00 0.00 O ATOM 322 CB CYS A 22 4.293 5.454 -5.682 1.00 0.00 C ATOM 323 SG CYS A 22 2.805 5.072 -6.646 1.00 0.00 S ATOM 0 H CYS A 22 6.146 7.579 -4.662 1.00 0.00 H new ATOM 0 HA CYS A 22 5.060 6.750 -7.217 1.00 0.00 H new ATOM 0 HB2 CYS A 22 5.016 4.645 -5.789 1.00 0.00 H new ATOM 0 HB3 CYS A 22 4.038 5.515 -4.624 1.00 0.00 H new ATOM 0 HG CYS A 22 2.298 3.948 -6.235 1.00 0.00 H new ATOM 329 N SER A 23 2.877 8.105 -6.455 1.00 0.00 N ATOM 330 CA SER A 23 1.921 9.174 -6.184 1.00 0.00 C ATOM 331 C SER A 23 0.498 8.656 -6.317 1.00 0.00 C ATOM 332 O SER A 23 0.274 7.566 -6.846 1.00 0.00 O ATOM 333 CB SER A 23 2.136 10.327 -7.164 1.00 0.00 C ATOM 334 OG SER A 23 1.216 11.368 -6.914 1.00 0.00 O ATOM 0 H SER A 23 2.584 7.471 -7.198 1.00 0.00 H new ATOM 0 HA SER A 23 2.077 9.529 -5.165 1.00 0.00 H new ATOM 0 HB2 SER A 23 3.154 10.704 -7.072 1.00 0.00 H new ATOM 0 HB3 SER A 23 2.019 9.969 -8.187 1.00 0.00 H new ATOM 0 HG SER A 23 1.368 12.099 -7.549 1.00 0.00 H new ATOM 340 N VAL A 24 -0.468 9.442 -5.837 1.00 0.00 N ATOM 341 CA VAL A 24 -1.871 9.066 -5.919 1.00 0.00 C ATOM 342 C VAL A 24 -2.308 9.002 -7.380 1.00 0.00 C ATOM 343 O VAL A 24 -3.299 8.348 -7.694 1.00 0.00 O ATOM 344 CB VAL A 24 -2.777 9.999 -5.094 1.00 0.00 C ATOM 345 CG1 VAL A 24 -1.990 11.024 -4.278 1.00 0.00 C ATOM 346 CG2 VAL A 24 -3.807 10.758 -5.920 1.00 0.00 C ATOM 0 H VAL A 24 -0.299 10.342 -5.388 1.00 0.00 H new ATOM 0 HA VAL A 24 -1.979 8.075 -5.479 1.00 0.00 H new ATOM 0 HB VAL A 24 -3.299 9.311 -4.429 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -2.683 11.653 -3.718 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -1.328 10.506 -3.584 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -1.397 11.646 -4.949 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -4.404 11.392 -5.264 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -3.297 11.378 -6.658 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -4.459 10.049 -6.430 1.00 0.00 H new ATOM 356 N GLU A 25 -1.576 9.675 -8.273 1.00 0.00 N ATOM 357 CA GLU A 25 -1.927 9.695 -9.684 1.00 0.00 C ATOM 358 C GLU A 25 -1.411 8.450 -10.397 1.00 0.00 C ATOM 359 O GLU A 25 -1.969 8.059 -11.420 1.00 0.00 O ATOM 360 CB GLU A 25 -1.332 10.937 -10.346 1.00 0.00 C ATOM 361 CG GLU A 25 -1.939 12.210 -9.757 1.00 0.00 C ATOM 362 CD GLU A 25 -1.383 13.450 -10.452 1.00 0.00 C ATOM 363 OE1 GLU A 25 -0.309 13.926 -10.018 1.00 0.00 O ATOM 364 OE2 GLU A 25 -2.033 13.915 -11.415 1.00 0.00 O ATOM 0 H GLU A 25 -0.740 10.210 -8.038 1.00 0.00 H new ATOM 0 HA GLU A 25 -3.014 9.715 -9.762 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -0.251 10.946 -10.207 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -1.515 10.905 -11.420 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -3.023 12.184 -9.864 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -1.725 12.260 -8.689 1.00 0.00 H new ATOM 371 N ASP A 26 -0.357 7.821 -9.872 1.00 0.00 N ATOM 372 CA ASP A 26 0.190 6.621 -10.482 1.00 0.00 C ATOM 373 C ASP A 26 -0.596 5.398 -10.018 1.00 0.00 C ATOM 374 O ASP A 26 -0.843 4.485 -10.802 1.00 0.00 O ATOM 375 CB ASP A 26 1.662 6.473 -10.092 1.00 0.00 C ATOM 376 CG ASP A 26 2.502 7.639 -10.606 1.00 0.00 C ATOM 377 OD1 ASP A 26 2.496 7.857 -11.840 1.00 0.00 O ATOM 378 OD2 ASP A 26 3.142 8.304 -9.761 1.00 0.00 O ATOM 0 H ASP A 26 0.129 8.126 -9.029 1.00 0.00 H new ATOM 0 HA ASP A 26 0.112 6.701 -11.566 1.00 0.00 H new ATOM 0 HB2 ASP A 26 1.747 6.414 -9.007 1.00 0.00 H new ATOM 0 HB3 ASP A 26 2.053 5.538 -10.494 1.00 0.00 H new ATOM 383 N VAL A 27 -0.992 5.379 -8.743 1.00 0.00 N ATOM 384 CA VAL A 27 -1.726 4.253 -8.188 1.00 0.00 C ATOM 385 C VAL A 27 -3.124 4.163 -8.799 1.00 0.00 C ATOM 386 O VAL A 27 -3.631 3.063 -9.004 1.00 0.00 O ATOM 387 CB VAL A 27 -1.762 4.383 -6.664 1.00 0.00 C ATOM 388 CG1 VAL A 27 -2.556 5.606 -6.220 1.00 0.00 C ATOM 389 CG2 VAL A 27 -2.374 3.153 -6.009 1.00 0.00 C ATOM 0 H VAL A 27 -0.814 6.134 -8.080 1.00 0.00 H new ATOM 0 HA VAL A 27 -1.221 3.320 -8.438 1.00 0.00 H new ATOM 0 HB VAL A 27 -0.724 4.488 -6.347 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -2.558 5.663 -5.131 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -2.097 6.506 -6.630 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -3.581 5.525 -6.581 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.382 3.283 -4.927 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -3.395 3.021 -6.366 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -1.784 2.273 -6.264 1.00 0.00 H new ATOM 399 N GLN A 28 -3.756 5.304 -9.097 1.00 0.00 N ATOM 400 CA GLN A 28 -5.053 5.292 -9.761 1.00 0.00 C ATOM 401 C GLN A 28 -4.886 4.971 -11.248 1.00 0.00 C ATOM 402 O GLN A 28 -5.805 4.448 -11.874 1.00 0.00 O ATOM 403 CB GLN A 28 -5.769 6.630 -9.551 1.00 0.00 C ATOM 404 CG GLN A 28 -5.020 7.796 -10.201 1.00 0.00 C ATOM 405 CD GLN A 28 -5.654 9.145 -9.867 1.00 0.00 C ATOM 406 OE1 GLN A 28 -5.957 9.929 -10.762 1.00 0.00 O ATOM 407 NE2 GLN A 28 -5.860 9.432 -8.583 1.00 0.00 N ATOM 0 H GLN A 28 -3.391 6.234 -8.890 1.00 0.00 H new ATOM 0 HA GLN A 28 -5.672 4.510 -9.320 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -6.775 6.571 -9.966 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -5.875 6.819 -8.483 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -3.983 7.791 -9.867 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -5.007 7.660 -11.282 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -5.598 8.760 -7.862 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -6.280 10.324 -8.321 1.00 0.00 H new ATOM 416 N ASN A 29 -3.713 5.281 -11.813 1.00 0.00 N ATOM 417 CA ASN A 29 -3.362 4.912 -13.177 1.00 0.00 C ATOM 418 C ASN A 29 -3.115 3.405 -13.305 1.00 0.00 C ATOM 419 O ASN A 29 -3.098 2.880 -14.418 1.00 0.00 O ATOM 420 CB ASN A 29 -2.118 5.711 -13.579 1.00 0.00 C ATOM 421 CG ASN A 29 -1.082 4.881 -14.324 1.00 0.00 C ATOM 422 OD1 ASN A 29 -1.021 4.888 -15.550 1.00 0.00 O ATOM 423 ND2 ASN A 29 -0.260 4.155 -13.569 1.00 0.00 N ATOM 0 H ASN A 29 -2.980 5.799 -11.328 1.00 0.00 H new ATOM 0 HA ASN A 29 -4.190 5.148 -13.845 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -2.421 6.549 -14.206 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -1.660 6.132 -12.684 1.00 0.00 H new ATOM 0 HD21 ASN A 29 0.456 3.575 -14.007 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -0.346 4.179 -12.553 1.00 0.00 H new ATOM 430 N PHE A 30 -2.922 2.708 -12.181 1.00 0.00 N ATOM 431 CA PHE A 30 -2.610 1.285 -12.194 1.00 0.00 C ATOM 432 C PHE A 30 -3.780 0.423 -11.713 1.00 0.00 C ATOM 433 O PHE A 30 -3.896 -0.738 -12.107 1.00 0.00 O ATOM 434 CB PHE A 30 -1.364 1.076 -11.342 1.00 0.00 C ATOM 435 CG PHE A 30 -0.981 -0.371 -11.162 1.00 0.00 C ATOM 436 CD1 PHE A 30 -0.311 -1.056 -12.186 1.00 0.00 C ATOM 437 CD2 PHE A 30 -1.301 -1.031 -9.969 1.00 0.00 C ATOM 438 CE1 PHE A 30 0.033 -2.402 -12.014 1.00 0.00 C ATOM 439 CE2 PHE A 30 -0.973 -2.380 -9.802 1.00 0.00 C ATOM 440 CZ PHE A 30 -0.298 -3.065 -10.823 1.00 0.00 C ATOM 0 H PHE A 30 -2.978 3.114 -11.247 1.00 0.00 H new ATOM 0 HA PHE A 30 -2.423 0.964 -13.219 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -0.530 1.608 -11.800 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -1.528 1.523 -10.361 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -0.061 -0.546 -13.105 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -1.803 -0.497 -9.176 1.00 0.00 H new ATOM 0 HE1 PHE A 30 0.554 -2.930 -12.799 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -1.239 -2.893 -8.889 1.00 0.00 H new ATOM 0 HZ PHE A 30 -0.033 -4.104 -10.692 1.00 0.00 H new ATOM 450 N LEU A 31 -4.654 0.973 -10.868 1.00 0.00 N ATOM 451 CA LEU A 31 -5.885 0.310 -10.447 1.00 0.00 C ATOM 452 C LEU A 31 -6.988 0.630 -11.462 1.00 0.00 C ATOM 453 O LEU A 31 -8.084 1.055 -11.102 1.00 0.00 O ATOM 454 CB LEU A 31 -6.248 0.728 -9.017 1.00 0.00 C ATOM 455 CG LEU A 31 -5.654 -0.226 -7.972 1.00 0.00 C ATOM 456 CD1 LEU A 31 -4.154 -0.436 -8.146 1.00 0.00 C ATOM 457 CD2 LEU A 31 -5.921 0.344 -6.581 1.00 0.00 C ATOM 0 H LEU A 31 -4.525 1.897 -10.455 1.00 0.00 H new ATOM 0 HA LEU A 31 -5.754 -0.772 -10.426 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.886 1.739 -8.832 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -7.333 0.753 -8.911 1.00 0.00 H new ATOM 0 HG LEU A 31 -6.132 -1.197 -8.103 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.791 -1.120 -7.379 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.958 -0.859 -9.131 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.639 0.520 -8.053 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -5.504 -0.324 -5.828 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.454 1.325 -6.494 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -6.996 0.439 -6.427 1.00 0.00 H new ATOM 469 N SER A 32 -6.674 0.418 -12.745 1.00 0.00 N ATOM 470 CA SER A 32 -7.529 0.724 -13.888 1.00 0.00 C ATOM 471 C SER A 32 -8.819 -0.099 -13.935 1.00 0.00 C ATOM 472 O SER A 32 -9.532 -0.061 -14.938 1.00 0.00 O ATOM 473 CB SER A 32 -6.731 0.483 -15.168 1.00 0.00 C ATOM 474 OG SER A 32 -5.545 1.244 -15.145 1.00 0.00 O ATOM 0 H SER A 32 -5.780 0.012 -13.022 1.00 0.00 H new ATOM 0 HA SER A 32 -7.835 1.766 -13.789 1.00 0.00 H new ATOM 0 HB2 SER A 32 -6.492 -0.576 -15.264 1.00 0.00 H new ATOM 0 HB3 SER A 32 -7.330 0.754 -16.037 1.00 0.00 H new ATOM 0 HG SER A 32 -5.037 1.083 -15.968 1.00 0.00 H new ATOM 480 N ASP A 33 -9.130 -0.839 -12.869 1.00 0.00 N ATOM 481 CA ASP A 33 -10.316 -1.683 -12.800 1.00 0.00 C ATOM 482 C ASP A 33 -11.015 -1.497 -11.455 1.00 0.00 C ATOM 483 O ASP A 33 -11.972 -2.205 -11.152 1.00 0.00 O ATOM 484 CB ASP A 33 -9.917 -3.154 -12.962 1.00 0.00 C ATOM 485 CG ASP A 33 -8.884 -3.359 -14.068 1.00 0.00 C ATOM 486 OD1 ASP A 33 -9.311 -3.565 -15.227 1.00 0.00 O ATOM 487 OD2 ASP A 33 -7.674 -3.307 -13.745 1.00 0.00 O ATOM 0 H ASP A 33 -8.559 -0.867 -12.024 1.00 0.00 H new ATOM 0 HA ASP A 33 -10.996 -1.398 -13.603 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -9.514 -3.524 -12.019 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -10.805 -3.746 -13.184 1.00 0.00 H new ATOM 492 N CYS A 34 -10.536 -0.545 -10.652 1.00 0.00 N ATOM 493 CA CYS A 34 -10.928 -0.382 -9.265 1.00 0.00 C ATOM 494 C CYS A 34 -11.285 1.072 -8.965 1.00 0.00 C ATOM 495 O CYS A 34 -11.176 1.946 -9.826 1.00 0.00 O ATOM 496 CB CYS A 34 -9.742 -0.836 -8.413 1.00 0.00 C ATOM 497 SG CYS A 34 -9.626 -2.642 -8.447 1.00 0.00 S ATOM 0 H CYS A 34 -9.851 0.145 -10.961 1.00 0.00 H new ATOM 0 HA CYS A 34 -11.815 -0.975 -9.044 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -8.820 -0.395 -8.791 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -9.864 -0.489 -7.387 1.00 0.00 H new ATOM 0 HG CYS A 34 -9.875 -3.115 -7.262 1.00 0.00 H new ATOM 503 N THR A 35 -11.711 1.316 -7.726 1.00 0.00 N ATOM 504 CA THR A 35 -12.067 2.634 -7.227 1.00 0.00 C ATOM 505 C THR A 35 -11.369 2.821 -5.890 1.00 0.00 C ATOM 506 O THR A 35 -11.134 1.855 -5.170 1.00 0.00 O ATOM 507 CB THR A 35 -13.590 2.725 -7.092 1.00 0.00 C ATOM 508 OG1 THR A 35 -14.184 2.665 -8.371 1.00 0.00 O ATOM 509 CG2 THR A 35 -14.024 4.024 -6.419 1.00 0.00 C ATOM 0 H THR A 35 -11.819 0.580 -7.028 1.00 0.00 H new ATOM 0 HA THR A 35 -11.751 3.424 -7.908 1.00 0.00 H new ATOM 0 HB THR A 35 -13.913 1.888 -6.474 1.00 0.00 H new ATOM 0 HG1 THR A 35 -15.158 2.722 -8.282 1.00 0.00 H new ATOM 0 HG21 THR A 35 -15.111 4.049 -6.343 1.00 0.00 H new ATOM 0 HG22 THR A 35 -13.589 4.080 -5.421 1.00 0.00 H new ATOM 0 HG23 THR A 35 -13.683 4.873 -7.012 1.00 0.00 H new ATOM 517 N ILE A 36 -11.036 4.070 -5.562 1.00 0.00 N ATOM 518 CA ILE A 36 -10.124 4.399 -4.474 1.00 0.00 C ATOM 519 C ILE A 36 -10.869 5.199 -3.410 1.00 0.00 C ATOM 520 O ILE A 36 -10.357 6.164 -2.849 1.00 0.00 O ATOM 521 CB ILE A 36 -8.896 5.085 -5.086 1.00 0.00 C ATOM 522 CG1 ILE A 36 -8.196 4.063 -5.990 1.00 0.00 C ATOM 523 CG2 ILE A 36 -7.886 5.587 -4.052 1.00 0.00 C ATOM 524 CD1 ILE A 36 -7.458 4.772 -7.114 1.00 0.00 C ATOM 0 H ILE A 36 -11.398 4.888 -6.052 1.00 0.00 H new ATOM 0 HA ILE A 36 -9.754 3.520 -3.946 1.00 0.00 H new ATOM 0 HB ILE A 36 -9.249 5.962 -5.628 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -7.495 3.468 -5.404 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -8.930 3.373 -6.406 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -7.047 6.059 -4.563 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -8.367 6.313 -3.396 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -7.524 4.747 -3.460 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -6.966 4.035 -7.748 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -8.167 5.347 -7.709 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -6.711 5.444 -6.692 1.00 0.00 H new ATOM 536 N HIS A 37 -12.105 4.766 -3.146 1.00 0.00 N ATOM 537 CA HIS A 37 -13.042 5.373 -2.207 1.00 0.00 C ATOM 538 C HIS A 37 -13.415 6.825 -2.550 1.00 0.00 C ATOM 539 O HIS A 37 -14.437 7.322 -2.084 1.00 0.00 O ATOM 540 CB HIS A 37 -12.471 5.215 -0.800 1.00 0.00 C ATOM 541 CG HIS A 37 -13.502 5.364 0.284 1.00 0.00 C ATOM 542 ND1 HIS A 37 -14.149 4.336 0.929 1.00 0.00 N ATOM 543 CD2 HIS A 37 -13.973 6.533 0.813 1.00 0.00 C ATOM 544 CE1 HIS A 37 -14.987 4.878 1.829 1.00 0.00 C ATOM 545 NE2 HIS A 37 -14.918 6.221 1.798 1.00 0.00 N ATOM 0 H HIS A 37 -12.495 3.943 -3.605 1.00 0.00 H new ATOM 0 HA HIS A 37 -13.996 4.850 -2.275 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -12.003 4.234 -0.714 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -11.686 5.956 -0.649 1.00 0.00 H new ATOM 0 HD1 HIS A 37 -14.016 3.340 0.755 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -13.668 7.527 0.521 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -15.629 4.312 2.488 1.00 0.00 H new ATOM 553 N ASP A 38 -12.593 7.501 -3.359 1.00 0.00 N ATOM 554 CA ASP A 38 -12.824 8.848 -3.863 1.00 0.00 C ATOM 555 C ASP A 38 -12.055 9.042 -5.169 1.00 0.00 C ATOM 556 O ASP A 38 -12.540 9.704 -6.086 1.00 0.00 O ATOM 557 CB ASP A 38 -12.321 9.877 -2.851 1.00 0.00 C ATOM 558 CG ASP A 38 -13.220 9.979 -1.623 1.00 0.00 C ATOM 559 OD1 ASP A 38 -14.352 10.491 -1.779 1.00 0.00 O ATOM 560 OD2 ASP A 38 -12.770 9.547 -0.539 1.00 0.00 O ATOM 0 H ASP A 38 -11.714 7.104 -3.691 1.00 0.00 H new ATOM 0 HA ASP A 38 -13.893 8.982 -4.028 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -11.312 9.609 -2.537 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -12.257 10.853 -3.332 1.00 0.00 H new ATOM 565 N GLY A 39 -10.854 8.460 -5.248 1.00 0.00 N ATOM 566 CA GLY A 39 -10.017 8.470 -6.440 1.00 0.00 C ATOM 567 C GLY A 39 -8.633 9.028 -6.144 1.00 0.00 C ATOM 568 O GLY A 39 -7.628 8.535 -6.650 1.00 0.00 O ATOM 0 H GLY A 39 -10.433 7.960 -4.465 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -9.926 7.456 -6.831 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -10.494 9.069 -7.216 1.00 0.00 H new ATOM 572 N ALA A 40 -8.606 10.066 -5.314 1.00 0.00 N ATOM 573 CA ALA A 40 -7.408 10.789 -4.914 1.00 0.00 C ATOM 574 C ALA A 40 -7.532 11.268 -3.467 1.00 0.00 C ATOM 575 O ALA A 40 -6.723 12.070 -3.003 1.00 0.00 O ATOM 576 CB ALA A 40 -7.234 11.980 -5.854 1.00 0.00 C ATOM 0 H ALA A 40 -9.453 10.440 -4.886 1.00 0.00 H new ATOM 0 HA ALA A 40 -6.539 10.134 -4.975 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -6.341 12.538 -5.573 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -7.131 11.623 -6.879 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -8.106 12.631 -5.782 1.00 0.00 H new ATOM 582 N ALA A 41 -8.549 10.771 -2.758 1.00 0.00 N ATOM 583 CA ALA A 41 -8.814 11.142 -1.372 1.00 0.00 C ATOM 584 C ALA A 41 -8.947 9.901 -0.485 1.00 0.00 C ATOM 585 O ALA A 41 -9.464 9.978 0.629 1.00 0.00 O ATOM 586 CB ALA A 41 -10.046 12.048 -1.305 1.00 0.00 C ATOM 0 H ALA A 41 -9.214 10.096 -3.135 1.00 0.00 H new ATOM 0 HA ALA A 41 -7.967 11.706 -0.982 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -10.240 12.322 -0.268 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -9.867 12.949 -1.891 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -10.909 11.518 -1.708 1.00 0.00 H new ATOM 592 N GLY A 42 -8.477 8.756 -0.990 1.00 0.00 N ATOM 593 CA GLY A 42 -8.441 7.497 -0.258 1.00 0.00 C ATOM 594 C GLY A 42 -7.039 6.893 -0.309 1.00 0.00 C ATOM 595 O GLY A 42 -6.820 5.781 0.169 1.00 0.00 O ATOM 0 H GLY A 42 -8.105 8.683 -1.937 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -8.735 7.663 0.778 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -9.161 6.799 -0.686 1.00 0.00 H new ATOM 599 N VAL A 43 -6.087 7.631 -0.894 1.00 0.00 N ATOM 600 CA VAL A 43 -4.694 7.219 -0.972 1.00 0.00 C ATOM 601 C VAL A 43 -4.027 7.373 0.398 1.00 0.00 C ATOM 602 O VAL A 43 -4.518 8.108 1.254 1.00 0.00 O ATOM 603 CB VAL A 43 -3.970 8.085 -2.018 1.00 0.00 C ATOM 604 CG1 VAL A 43 -3.665 9.473 -1.454 1.00 0.00 C ATOM 605 CG2 VAL A 43 -2.678 7.398 -2.460 1.00 0.00 C ATOM 0 H VAL A 43 -6.271 8.536 -1.327 1.00 0.00 H new ATOM 0 HA VAL A 43 -4.637 6.172 -1.269 1.00 0.00 H new ATOM 0 HB VAL A 43 -4.624 8.204 -2.882 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.153 10.068 -2.210 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -4.597 9.965 -1.174 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -3.027 9.377 -0.575 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -2.172 8.017 -3.200 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -2.027 7.258 -1.597 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -2.913 6.428 -2.898 1.00 0.00 H new ATOM 615 N HIS A 44 -2.905 6.679 0.603 1.00 0.00 N ATOM 616 CA HIS A 44 -2.064 6.831 1.783 1.00 0.00 C ATOM 617 C HIS A 44 -0.624 6.485 1.420 1.00 0.00 C ATOM 618 O HIS A 44 -0.381 5.833 0.408 1.00 0.00 O ATOM 619 CB HIS A 44 -2.519 5.885 2.892 1.00 0.00 C ATOM 620 CG HIS A 44 -3.760 6.325 3.617 1.00 0.00 C ATOM 621 ND1 HIS A 44 -3.853 7.359 4.521 1.00 0.00 N ATOM 622 CD2 HIS A 44 -5.004 5.770 3.507 1.00 0.00 C ATOM 623 CE1 HIS A 44 -5.127 7.411 4.949 1.00 0.00 C ATOM 624 NE2 HIS A 44 -5.873 6.465 4.354 1.00 0.00 N ATOM 0 H HIS A 44 -2.554 5.987 -0.058 1.00 0.00 H new ATOM 0 HA HIS A 44 -2.139 7.861 2.132 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -2.695 4.899 2.462 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -1.710 5.777 3.615 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -5.271 4.937 2.874 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -5.501 8.119 5.674 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -6.868 6.290 4.492 1.00 0.00 H new ATOM 632 N PHE A 45 0.328 6.921 2.248 1.00 0.00 N ATOM 633 CA PHE A 45 1.743 6.640 2.063 1.00 0.00 C ATOM 634 C PHE A 45 2.401 6.503 3.433 1.00 0.00 C ATOM 635 O PHE A 45 1.792 6.845 4.445 1.00 0.00 O ATOM 636 CB PHE A 45 2.379 7.754 1.230 1.00 0.00 C ATOM 637 CG PHE A 45 1.868 7.751 -0.195 1.00 0.00 C ATOM 638 CD1 PHE A 45 2.422 6.871 -1.136 1.00 0.00 C ATOM 639 CD2 PHE A 45 0.834 8.618 -0.574 1.00 0.00 C ATOM 640 CE1 PHE A 45 1.903 6.814 -2.437 1.00 0.00 C ATOM 641 CE2 PHE A 45 0.320 8.565 -1.878 1.00 0.00 C ATOM 642 CZ PHE A 45 0.837 7.649 -2.804 1.00 0.00 C ATOM 0 H PHE A 45 0.130 7.485 3.074 1.00 0.00 H new ATOM 0 HA PHE A 45 1.885 5.704 1.523 1.00 0.00 H new ATOM 0 HB2 PHE A 45 2.167 8.719 1.690 1.00 0.00 H new ATOM 0 HB3 PHE A 45 3.462 7.633 1.228 1.00 0.00 H new ATOM 0 HD1 PHE A 45 3.250 6.236 -0.858 1.00 0.00 H new ATOM 0 HD2 PHE A 45 0.434 9.326 0.137 1.00 0.00 H new ATOM 0 HE1 PHE A 45 2.324 6.127 -3.157 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -0.477 9.233 -2.170 1.00 0.00 H new ATOM 0 HZ PHE A 45 0.416 7.586 -3.797 1.00 0.00 H new ATOM 652 N ILE A 46 3.640 6.004 3.474 1.00 0.00 N ATOM 653 CA ILE A 46 4.301 5.715 4.740 1.00 0.00 C ATOM 654 C ILE A 46 5.690 6.343 4.761 1.00 0.00 C ATOM 655 O ILE A 46 6.395 6.349 3.751 1.00 0.00 O ATOM 656 CB ILE A 46 4.352 4.200 4.971 1.00 0.00 C ATOM 657 CG1 ILE A 46 3.000 3.579 4.595 1.00 0.00 C ATOM 658 CG2 ILE A 46 4.687 3.921 6.442 1.00 0.00 C ATOM 659 CD1 ILE A 46 2.983 2.076 4.835 1.00 0.00 C ATOM 0 H ILE A 46 4.199 5.794 2.647 1.00 0.00 H new ATOM 0 HA ILE A 46 3.731 6.154 5.559 1.00 0.00 H new ATOM 0 HB ILE A 46 5.125 3.754 4.345 1.00 0.00 H new ATOM 0 HG12 ILE A 46 2.209 4.049 5.179 1.00 0.00 H new ATOM 0 HG13 ILE A 46 2.786 3.782 3.546 1.00 0.00 H new ATOM 0 HG21 ILE A 46 4.724 2.844 6.609 1.00 0.00 H new ATOM 0 HG22 ILE A 46 5.655 4.359 6.684 1.00 0.00 H new ATOM 0 HG23 ILE A 46 3.920 4.361 7.080 1.00 0.00 H new ATOM 0 HD11 ILE A 46 2.009 1.674 4.557 1.00 0.00 H new ATOM 0 HD12 ILE A 46 3.757 1.602 4.231 1.00 0.00 H new ATOM 0 HD13 ILE A 46 3.171 1.874 5.889 1.00 0.00 H new ATOM 671 N TYR A 47 6.077 6.872 5.923 1.00 0.00 N ATOM 672 CA TYR A 47 7.318 7.607 6.104 1.00 0.00 C ATOM 673 C TYR A 47 7.697 7.624 7.581 1.00 0.00 C ATOM 674 O TYR A 47 6.912 7.206 8.432 1.00 0.00 O ATOM 675 CB TYR A 47 7.102 9.038 5.612 1.00 0.00 C ATOM 676 CG TYR A 47 5.900 9.716 6.228 1.00 0.00 C ATOM 677 CD1 TYR A 47 6.003 10.327 7.487 1.00 0.00 C ATOM 678 CD2 TYR A 47 4.679 9.726 5.538 1.00 0.00 C ATOM 679 CE1 TYR A 47 4.883 10.945 8.061 1.00 0.00 C ATOM 680 CE2 TYR A 47 3.556 10.343 6.104 1.00 0.00 C ATOM 681 CZ TYR A 47 3.654 10.956 7.370 1.00 0.00 C ATOM 682 OH TYR A 47 2.564 11.557 7.925 1.00 0.00 O ATOM 0 H TYR A 47 5.523 6.797 6.776 1.00 0.00 H new ATOM 0 HA TYR A 47 8.122 7.131 5.542 1.00 0.00 H new ATOM 0 HB2 TYR A 47 7.993 9.627 5.831 1.00 0.00 H new ATOM 0 HB3 TYR A 47 6.986 9.027 4.528 1.00 0.00 H new ATOM 0 HD1 TYR A 47 6.946 10.321 8.014 1.00 0.00 H new ATOM 0 HD2 TYR A 47 4.604 9.257 4.568 1.00 0.00 H new ATOM 0 HE1 TYR A 47 4.962 11.412 9.032 1.00 0.00 H new ATOM 0 HE2 TYR A 47 2.616 10.349 5.571 1.00 0.00 H new ATOM 0 HH TYR A 47 1.800 11.475 7.317 1.00 0.00 H new ATOM 692 N THR A 48 8.905 8.108 7.883 1.00 0.00 N ATOM 693 CA THR A 48 9.395 8.230 9.251 1.00 0.00 C ATOM 694 C THR A 48 10.292 9.452 9.385 1.00 0.00 C ATOM 695 O THR A 48 10.614 10.116 8.400 1.00 0.00 O ATOM 696 CB THR A 48 10.190 6.987 9.660 1.00 0.00 C ATOM 697 OG1 THR A 48 11.199 6.726 8.713 1.00 0.00 O ATOM 698 CG2 THR A 48 9.279 5.773 9.774 1.00 0.00 C ATOM 0 H THR A 48 9.571 8.427 7.179 1.00 0.00 H new ATOM 0 HA THR A 48 8.529 8.334 9.905 1.00 0.00 H new ATOM 0 HB THR A 48 10.642 7.180 10.633 1.00 0.00 H new ATOM 0 HG1 THR A 48 11.704 5.931 8.983 1.00 0.00 H new ATOM 0 HG21 THR A 48 9.867 4.903 10.066 1.00 0.00 H new ATOM 0 HG22 THR A 48 8.513 5.962 10.526 1.00 0.00 H new ATOM 0 HG23 THR A 48 8.803 5.583 8.812 1.00 0.00 H new ATOM 706 N ARG A 49 10.695 9.743 10.624 1.00 0.00 N ATOM 707 CA ARG A 49 11.531 10.887 10.953 1.00 0.00 C ATOM 708 C ARG A 49 12.989 10.719 10.516 1.00 0.00 C ATOM 709 O ARG A 49 13.803 11.607 10.760 1.00 0.00 O ATOM 710 CB ARG A 49 11.383 11.180 12.451 1.00 0.00 C ATOM 711 CG ARG A 49 11.709 10.010 13.388 1.00 0.00 C ATOM 712 CD ARG A 49 13.171 9.564 13.332 1.00 0.00 C ATOM 713 NE ARG A 49 14.087 10.680 13.596 1.00 0.00 N ATOM 714 CZ ARG A 49 14.516 11.039 14.810 1.00 0.00 C ATOM 715 NH1 ARG A 49 14.122 10.381 15.898 1.00 0.00 N ATOM 716 NH2 ARG A 49 15.350 12.066 14.938 1.00 0.00 N ATOM 0 H ARG A 49 10.443 9.178 11.435 1.00 0.00 H new ATOM 0 HA ARG A 49 11.187 11.750 10.383 1.00 0.00 H new ATOM 0 HB2 ARG A 49 12.032 12.018 12.705 1.00 0.00 H new ATOM 0 HB3 ARG A 49 10.359 11.501 12.641 1.00 0.00 H new ATOM 0 HG2 ARG A 49 11.465 10.297 14.411 1.00 0.00 H new ATOM 0 HG3 ARG A 49 11.071 9.164 13.134 1.00 0.00 H new ATOM 0 HD2 ARG A 49 13.339 8.774 14.064 1.00 0.00 H new ATOM 0 HD3 ARG A 49 13.386 9.141 12.351 1.00 0.00 H new ATOM 0 HE ARG A 49 14.420 11.220 12.797 1.00 0.00 H new ATOM 0 HH11 ARG A 49 13.484 9.590 15.812 1.00 0.00 H new ATOM 0 HH12 ARG A 49 14.459 10.668 16.817 1.00 0.00 H new ATOM 0 HH21 ARG A 49 15.660 12.577 14.112 1.00 0.00 H new ATOM 0 HH22 ARG A 49 15.680 12.343 15.863 1.00 0.00 H new ATOM 730 N GLU A 50 13.327 9.595 9.875 1.00 0.00 N ATOM 731 CA GLU A 50 14.683 9.315 9.424 1.00 0.00 C ATOM 732 C GLU A 50 14.657 8.233 8.343 1.00 0.00 C ATOM 733 O GLU A 50 15.518 7.357 8.292 1.00 0.00 O ATOM 734 CB GLU A 50 15.549 8.912 10.620 1.00 0.00 C ATOM 735 CG GLU A 50 17.018 9.033 10.229 1.00 0.00 C ATOM 736 CD GLU A 50 17.915 9.067 11.464 1.00 0.00 C ATOM 737 OE1 GLU A 50 18.313 7.972 11.923 1.00 0.00 O ATOM 738 OE2 GLU A 50 18.199 10.188 11.942 1.00 0.00 O ATOM 0 H GLU A 50 12.661 8.854 9.656 1.00 0.00 H new ATOM 0 HA GLU A 50 15.122 10.209 8.982 1.00 0.00 H new ATOM 0 HB2 GLU A 50 15.332 9.552 11.475 1.00 0.00 H new ATOM 0 HB3 GLU A 50 15.322 7.890 10.922 1.00 0.00 H new ATOM 0 HG2 GLU A 50 17.299 8.192 9.595 1.00 0.00 H new ATOM 0 HG3 GLU A 50 17.168 9.939 9.642 1.00 0.00 H new ATOM 745 N GLY A 51 13.650 8.297 7.469 1.00 0.00 N ATOM 746 CA GLY A 51 13.420 7.298 6.441 1.00 0.00 C ATOM 747 C GLY A 51 13.681 7.865 5.053 1.00 0.00 C ATOM 748 O GLY A 51 14.740 8.436 4.794 1.00 0.00 O ATOM 0 H GLY A 51 12.968 9.055 7.461 1.00 0.00 H new ATOM 0 HA2 GLY A 51 14.069 6.439 6.614 1.00 0.00 H new ATOM 0 HA3 GLY A 51 12.393 6.939 6.503 1.00 0.00 H new ATOM 752 N ARG A 52 12.699 7.701 4.161 1.00 0.00 N ATOM 753 CA ARG A 52 12.819 8.084 2.757 1.00 0.00 C ATOM 754 C ARG A 52 11.526 8.692 2.208 1.00 0.00 C ATOM 755 O ARG A 52 11.391 8.879 1.001 1.00 0.00 O ATOM 756 CB ARG A 52 13.292 6.888 1.919 1.00 0.00 C ATOM 757 CG ARG A 52 12.386 5.653 1.995 1.00 0.00 C ATOM 758 CD ARG A 52 12.624 4.832 3.265 1.00 0.00 C ATOM 759 NE ARG A 52 12.147 3.452 3.107 1.00 0.00 N ATOM 760 CZ ARG A 52 10.890 3.039 3.296 1.00 0.00 C ATOM 761 NH1 ARG A 52 9.926 3.891 3.636 1.00 0.00 N ATOM 762 NH2 ARG A 52 10.590 1.751 3.142 1.00 0.00 N ATOM 0 H ARG A 52 11.794 7.296 4.398 1.00 0.00 H new ATOM 0 HA ARG A 52 13.573 8.869 2.688 1.00 0.00 H new ATOM 0 HB2 ARG A 52 13.371 7.200 0.878 1.00 0.00 H new ATOM 0 HB3 ARG A 52 14.294 6.607 2.244 1.00 0.00 H new ATOM 0 HG2 ARG A 52 11.343 5.968 1.959 1.00 0.00 H new ATOM 0 HG3 ARG A 52 12.559 5.024 1.121 1.00 0.00 H new ATOM 0 HD2 ARG A 52 13.688 4.826 3.502 1.00 0.00 H new ATOM 0 HD3 ARG A 52 12.112 5.302 4.105 1.00 0.00 H new ATOM 0 HE ARG A 52 12.833 2.750 2.830 1.00 0.00 H new ATOM 0 HH11 ARG A 52 10.140 4.881 3.757 1.00 0.00 H new ATOM 0 HH12 ARG A 52 8.973 3.554 3.775 1.00 0.00 H new ATOM 0 HH21 ARG A 52 11.318 1.086 2.881 1.00 0.00 H new ATOM 0 HH22 ARG A 52 9.633 1.430 3.285 1.00 0.00 H new ATOM 776 N GLN A 53 10.586 8.997 3.105 1.00 0.00 N ATOM 777 CA GLN A 53 9.310 9.652 2.833 1.00 0.00 C ATOM 778 C GLN A 53 8.392 8.946 1.829 1.00 0.00 C ATOM 779 O GLN A 53 7.263 9.395 1.637 1.00 0.00 O ATOM 780 CB GLN A 53 9.547 11.115 2.440 1.00 0.00 C ATOM 781 CG GLN A 53 10.436 11.835 3.458 1.00 0.00 C ATOM 782 CD GLN A 53 9.905 11.672 4.875 1.00 0.00 C ATOM 783 OE1 GLN A 53 8.803 12.114 5.191 1.00 0.00 O ATOM 784 NE2 GLN A 53 10.687 11.035 5.741 1.00 0.00 N ATOM 0 H GLN A 53 10.704 8.781 4.095 1.00 0.00 H new ATOM 0 HA GLN A 53 8.755 9.594 3.769 1.00 0.00 H new ATOM 0 HB2 GLN A 53 10.013 11.157 1.455 1.00 0.00 H new ATOM 0 HB3 GLN A 53 8.590 11.631 2.362 1.00 0.00 H new ATOM 0 HG2 GLN A 53 11.450 11.440 3.401 1.00 0.00 H new ATOM 0 HG3 GLN A 53 10.492 12.895 3.209 1.00 0.00 H new ATOM 0 HE21 GLN A 53 11.596 10.681 5.443 1.00 0.00 H new ATOM 0 HE22 GLN A 53 10.378 10.900 6.704 1.00 0.00 H new ATOM 793 N SER A 54 8.835 7.860 1.189 1.00 0.00 N ATOM 794 CA SER A 54 7.994 7.109 0.265 1.00 0.00 C ATOM 795 C SER A 54 8.640 5.768 -0.083 1.00 0.00 C ATOM 796 O SER A 54 9.844 5.591 0.084 1.00 0.00 O ATOM 797 CB SER A 54 7.785 7.926 -1.012 1.00 0.00 C ATOM 798 OG SER A 54 6.804 7.309 -1.818 1.00 0.00 O ATOM 0 H SER A 54 9.777 7.483 1.298 1.00 0.00 H new ATOM 0 HA SER A 54 7.033 6.918 0.742 1.00 0.00 H new ATOM 0 HB2 SER A 54 7.476 8.940 -0.759 1.00 0.00 H new ATOM 0 HB3 SER A 54 8.723 8.006 -1.561 1.00 0.00 H new ATOM 0 HG SER A 54 6.672 7.836 -2.634 1.00 0.00 H new ATOM 804 N GLY A 55 7.830 4.824 -0.569 1.00 0.00 N ATOM 805 CA GLY A 55 8.285 3.511 -0.999 1.00 0.00 C ATOM 806 C GLY A 55 7.192 2.479 -0.746 1.00 0.00 C ATOM 807 O GLY A 55 7.234 1.380 -1.296 1.00 0.00 O ATOM 0 H GLY A 55 6.824 4.958 -0.674 1.00 0.00 H new ATOM 0 HA2 GLY A 55 8.539 3.533 -2.059 1.00 0.00 H new ATOM 0 HA3 GLY A 55 9.191 3.235 -0.459 1.00 0.00 H new ATOM 811 N GLU A 56 6.215 2.847 0.091 1.00 0.00 N ATOM 812 CA GLU A 56 5.116 1.989 0.501 1.00 0.00 C ATOM 813 C GLU A 56 3.863 2.833 0.691 1.00 0.00 C ATOM 814 O GLU A 56 3.948 4.041 0.915 1.00 0.00 O ATOM 815 CB GLU A 56 5.475 1.314 1.823 1.00 0.00 C ATOM 816 CG GLU A 56 6.679 0.396 1.641 1.00 0.00 C ATOM 817 CD GLU A 56 7.153 -0.143 2.987 1.00 0.00 C ATOM 818 OE1 GLU A 56 6.498 -1.082 3.492 1.00 0.00 O ATOM 819 OE2 GLU A 56 8.165 0.391 3.494 1.00 0.00 O ATOM 0 H GLU A 56 6.173 3.777 0.509 1.00 0.00 H new ATOM 0 HA GLU A 56 4.935 1.232 -0.262 1.00 0.00 H new ATOM 0 HB2 GLU A 56 5.697 2.070 2.576 1.00 0.00 H new ATOM 0 HB3 GLU A 56 4.624 0.740 2.188 1.00 0.00 H new ATOM 0 HG2 GLU A 56 6.415 -0.433 0.984 1.00 0.00 H new ATOM 0 HG3 GLU A 56 7.489 0.941 1.156 1.00 0.00 H new ATOM 826 N ALA A 57 2.697 2.192 0.598 1.00 0.00 N ATOM 827 CA ALA A 57 1.430 2.896 0.638 1.00 0.00 C ATOM 828 C ALA A 57 0.259 1.959 0.917 1.00 0.00 C ATOM 829 O ALA A 57 0.414 0.740 0.980 1.00 0.00 O ATOM 830 CB ALA A 57 1.237 3.545 -0.733 1.00 0.00 C ATOM 0 H ALA A 57 2.612 1.181 0.494 1.00 0.00 H new ATOM 0 HA ALA A 57 1.452 3.630 1.444 1.00 0.00 H new ATOM 0 HB1 ALA A 57 0.292 4.088 -0.749 1.00 0.00 H new ATOM 0 HB2 ALA A 57 2.056 4.237 -0.927 1.00 0.00 H new ATOM 0 HB3 ALA A 57 1.225 2.773 -1.502 1.00 0.00 H new ATOM 836 N PHE A 58 -0.923 2.562 1.079 1.00 0.00 N ATOM 837 CA PHE A 58 -2.191 1.859 1.177 1.00 0.00 C ATOM 838 C PHE A 58 -3.193 2.528 0.247 1.00 0.00 C ATOM 839 O PHE A 58 -2.991 3.663 -0.184 1.00 0.00 O ATOM 840 CB PHE A 58 -2.743 1.891 2.602 1.00 0.00 C ATOM 841 CG PHE A 58 -1.901 1.215 3.652 1.00 0.00 C ATOM 842 CD1 PHE A 58 -1.998 -0.167 3.864 1.00 0.00 C ATOM 843 CD2 PHE A 58 -1.026 1.986 4.424 1.00 0.00 C ATOM 844 CE1 PHE A 58 -1.238 -0.772 4.873 1.00 0.00 C ATOM 845 CE2 PHE A 58 -0.275 1.383 5.439 1.00 0.00 C ATOM 846 CZ PHE A 58 -0.380 0.002 5.666 1.00 0.00 C ATOM 0 H PHE A 58 -1.019 3.575 1.146 1.00 0.00 H new ATOM 0 HA PHE A 58 -2.029 0.818 0.897 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -2.884 2.932 2.892 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -3.728 1.425 2.599 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -2.657 -0.764 3.251 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -0.930 3.045 4.237 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -1.313 -1.836 5.040 1.00 0.00 H new ATOM 0 HE2 PHE A 58 0.386 1.981 6.048 1.00 0.00 H new ATOM 0 HZ PHE A 58 0.199 -0.463 6.450 1.00 0.00 H new ATOM 856 N VAL A 59 -4.279 1.818 -0.058 1.00 0.00 N ATOM 857 CA VAL A 59 -5.317 2.316 -0.942 1.00 0.00 C ATOM 858 C VAL A 59 -6.672 1.838 -0.442 1.00 0.00 C ATOM 859 O VAL A 59 -6.991 0.654 -0.538 1.00 0.00 O ATOM 860 CB VAL A 59 -5.079 1.802 -2.368 1.00 0.00 C ATOM 861 CG1 VAL A 59 -6.076 2.450 -3.323 1.00 0.00 C ATOM 862 CG2 VAL A 59 -3.671 2.126 -2.864 1.00 0.00 C ATOM 0 H VAL A 59 -4.458 0.881 0.304 1.00 0.00 H new ATOM 0 HA VAL A 59 -5.295 3.406 -0.951 1.00 0.00 H new ATOM 0 HB VAL A 59 -5.205 0.720 -2.344 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -5.903 2.082 -4.334 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -7.091 2.200 -3.014 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -5.948 3.532 -3.304 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -3.545 1.744 -3.877 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -3.524 3.206 -2.862 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -2.937 1.659 -2.207 1.00 0.00 H new ATOM 872 N GLU A 60 -7.477 2.757 0.094 1.00 0.00 N ATOM 873 CA GLU A 60 -8.840 2.425 0.465 1.00 0.00 C ATOM 874 C GLU A 60 -9.663 2.287 -0.810 1.00 0.00 C ATOM 875 O GLU A 60 -9.381 2.954 -1.801 1.00 0.00 O ATOM 876 CB GLU A 60 -9.435 3.517 1.355 1.00 0.00 C ATOM 877 CG GLU A 60 -8.669 3.632 2.674 1.00 0.00 C ATOM 878 CD GLU A 60 -9.368 4.602 3.624 1.00 0.00 C ATOM 879 OE1 GLU A 60 -9.446 5.801 3.275 1.00 0.00 O ATOM 880 OE2 GLU A 60 -9.820 4.136 4.695 1.00 0.00 O ATOM 0 H GLU A 60 -7.207 3.724 0.276 1.00 0.00 H new ATOM 0 HA GLU A 60 -8.851 1.490 1.025 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -9.408 4.472 0.831 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -10.483 3.294 1.558 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -8.591 2.650 3.142 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -7.652 3.974 2.481 1.00 0.00 H new ATOM 887 N LEU A 61 -10.681 1.423 -0.789 1.00 0.00 N ATOM 888 CA LEU A 61 -11.528 1.192 -1.952 1.00 0.00 C ATOM 889 C LEU A 61 -12.999 1.364 -1.585 1.00 0.00 C ATOM 890 O LEU A 61 -13.325 1.808 -0.484 1.00 0.00 O ATOM 891 CB LEU A 61 -11.287 -0.211 -2.511 1.00 0.00 C ATOM 892 CG LEU A 61 -9.800 -0.574 -2.634 1.00 0.00 C ATOM 893 CD1 LEU A 61 -9.670 -2.077 -2.816 1.00 0.00 C ATOM 894 CD2 LEU A 61 -9.163 0.093 -3.851 1.00 0.00 C ATOM 0 H LEU A 61 -10.936 0.870 0.029 1.00 0.00 H new ATOM 0 HA LEU A 61 -11.272 1.926 -2.716 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -11.779 -0.940 -1.867 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -11.754 -0.288 -3.493 1.00 0.00 H new ATOM 0 HG LEU A 61 -9.297 -0.232 -1.730 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -8.617 -2.343 -2.904 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -10.102 -2.587 -1.955 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -10.198 -2.381 -3.720 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -8.111 -0.185 -3.909 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -9.675 -0.235 -4.755 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -9.248 1.176 -3.759 1.00 0.00 H new ATOM 906 N GLY A 62 -13.888 1.007 -2.514 1.00 0.00 N ATOM 907 CA GLY A 62 -15.313 1.212 -2.335 1.00 0.00 C ATOM 908 C GLY A 62 -16.066 -0.057 -1.939 1.00 0.00 C ATOM 909 O GLY A 62 -17.053 0.033 -1.210 1.00 0.00 O ATOM 0 H GLY A 62 -13.636 0.572 -3.402 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -15.469 1.972 -1.569 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -15.735 1.601 -3.261 1.00 0.00 H new ATOM 913 N SER A 63 -15.619 -1.231 -2.403 1.00 0.00 N ATOM 914 CA SER A 63 -16.323 -2.482 -2.137 1.00 0.00 C ATOM 915 C SER A 63 -15.374 -3.676 -2.141 1.00 0.00 C ATOM 916 O SER A 63 -14.210 -3.561 -2.520 1.00 0.00 O ATOM 917 CB SER A 63 -17.389 -2.710 -3.213 1.00 0.00 C ATOM 918 OG SER A 63 -18.350 -1.674 -3.202 1.00 0.00 O ATOM 0 H SER A 63 -14.773 -1.336 -2.964 1.00 0.00 H new ATOM 0 HA SER A 63 -16.777 -2.399 -1.150 1.00 0.00 H new ATOM 0 HB2 SER A 63 -16.916 -2.761 -4.194 1.00 0.00 H new ATOM 0 HB3 SER A 63 -17.880 -3.668 -3.046 1.00 0.00 H new ATOM 0 HG SER A 63 -19.019 -1.841 -3.899 1.00 0.00 H new ATOM 924 N GLU A 64 -15.884 -4.837 -1.715 1.00 0.00 N ATOM 925 CA GLU A 64 -15.142 -6.091 -1.735 1.00 0.00 C ATOM 926 C GLU A 64 -14.707 -6.434 -3.158 1.00 0.00 C ATOM 927 O GLU A 64 -13.677 -7.071 -3.361 1.00 0.00 O ATOM 928 CB GLU A 64 -16.044 -7.202 -1.192 1.00 0.00 C ATOM 929 CG GLU A 64 -15.359 -8.567 -1.271 1.00 0.00 C ATOM 930 CD GLU A 64 -16.232 -9.649 -0.641 1.00 0.00 C ATOM 931 OE1 GLU A 64 -17.054 -10.234 -1.380 1.00 0.00 O ATOM 932 OE2 GLU A 64 -16.071 -9.886 0.577 1.00 0.00 O ATOM 0 H GLU A 64 -16.830 -4.928 -1.345 1.00 0.00 H new ATOM 0 HA GLU A 64 -14.250 -5.992 -1.117 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -16.308 -6.985 -0.157 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -16.974 -7.227 -1.759 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -15.156 -8.817 -2.312 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -14.397 -8.526 -0.760 1.00 0.00 H new ATOM 939 N ASP A 65 -15.486 -6.016 -4.155 1.00 0.00 N ATOM 940 CA ASP A 65 -15.152 -6.321 -5.531 1.00 0.00 C ATOM 941 C ASP A 65 -13.896 -5.567 -5.964 1.00 0.00 C ATOM 942 O ASP A 65 -13.175 -6.021 -6.850 1.00 0.00 O ATOM 943 CB ASP A 65 -16.343 -5.960 -6.419 1.00 0.00 C ATOM 944 CG ASP A 65 -16.156 -6.446 -7.854 1.00 0.00 C ATOM 945 OD1 ASP A 65 -15.869 -7.653 -8.024 1.00 0.00 O ATOM 946 OD2 ASP A 65 -16.303 -5.606 -8.770 1.00 0.00 O ATOM 0 H ASP A 65 -16.340 -5.473 -4.031 1.00 0.00 H new ATOM 0 HA ASP A 65 -14.940 -7.386 -5.628 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -17.251 -6.398 -6.004 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -16.481 -4.879 -6.418 1.00 0.00 H new ATOM 951 N ASP A 66 -13.621 -4.412 -5.348 1.00 0.00 N ATOM 952 CA ASP A 66 -12.452 -3.622 -5.683 1.00 0.00 C ATOM 953 C ASP A 66 -11.205 -4.207 -5.030 1.00 0.00 C ATOM 954 O ASP A 66 -10.141 -4.205 -5.647 1.00 0.00 O ATOM 955 CB ASP A 66 -12.662 -2.187 -5.204 1.00 0.00 C ATOM 956 CG ASP A 66 -13.781 -1.489 -5.970 1.00 0.00 C ATOM 957 OD1 ASP A 66 -13.579 -1.241 -7.179 1.00 0.00 O ATOM 958 OD2 ASP A 66 -14.824 -1.209 -5.339 1.00 0.00 O ATOM 0 H ASP A 66 -14.201 -4.010 -4.612 1.00 0.00 H new ATOM 0 HA ASP A 66 -12.312 -3.634 -6.764 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -12.898 -2.191 -4.140 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -11.735 -1.625 -5.323 1.00 0.00 H new ATOM 963 N VAL A 67 -11.307 -4.711 -3.795 1.00 0.00 N ATOM 964 CA VAL A 67 -10.144 -5.296 -3.140 1.00 0.00 C ATOM 965 C VAL A 67 -9.756 -6.572 -3.864 1.00 0.00 C ATOM 966 O VAL A 67 -8.573 -6.821 -4.067 1.00 0.00 O ATOM 967 CB VAL A 67 -10.378 -5.529 -1.637 1.00 0.00 C ATOM 968 CG1 VAL A 67 -11.777 -6.027 -1.306 1.00 0.00 C ATOM 969 CG2 VAL A 67 -9.379 -6.528 -1.055 1.00 0.00 C ATOM 0 H VAL A 67 -12.165 -4.724 -3.243 1.00 0.00 H new ATOM 0 HA VAL A 67 -9.315 -4.591 -3.200 1.00 0.00 H new ATOM 0 HB VAL A 67 -10.243 -4.545 -1.188 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -11.868 -6.168 -0.229 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -12.512 -5.294 -1.639 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -11.955 -6.976 -1.813 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -9.578 -6.665 0.008 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -9.479 -7.484 -1.569 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -8.366 -6.149 -1.188 1.00 0.00 H new ATOM 979 N LYS A 68 -10.734 -7.389 -4.257 1.00 0.00 N ATOM 980 CA LYS A 68 -10.446 -8.606 -4.991 1.00 0.00 C ATOM 981 C LYS A 68 -9.767 -8.281 -6.320 1.00 0.00 C ATOM 982 O LYS A 68 -8.774 -8.916 -6.671 1.00 0.00 O ATOM 983 CB LYS A 68 -11.758 -9.360 -5.197 1.00 0.00 C ATOM 984 CG LYS A 68 -12.242 -9.909 -3.852 1.00 0.00 C ATOM 985 CD LYS A 68 -13.681 -10.420 -3.939 1.00 0.00 C ATOM 986 CE LYS A 68 -13.845 -11.548 -4.955 1.00 0.00 C ATOM 987 NZ LYS A 68 -13.078 -12.747 -4.568 1.00 0.00 N ATOM 0 H LYS A 68 -11.725 -7.225 -4.077 1.00 0.00 H new ATOM 0 HA LYS A 68 -9.755 -9.235 -4.429 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -12.510 -8.696 -5.623 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -11.615 -10.176 -5.906 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -11.586 -10.719 -3.531 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -12.178 -9.128 -3.095 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -13.997 -10.772 -2.957 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -14.340 -9.595 -4.209 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -14.900 -11.805 -5.046 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -13.514 -11.205 -5.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -13.293 -13.524 -5.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -12.061 -12.535 -4.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -13.339 -13.029 -3.601 1.00 0.00 H new ATOM 1001 N MET A 69 -10.289 -7.297 -7.059 1.00 0.00 N ATOM 1002 CA MET A 69 -9.742 -6.939 -8.360 1.00 0.00 C ATOM 1003 C MET A 69 -8.387 -6.240 -8.255 1.00 0.00 C ATOM 1004 O MET A 69 -7.587 -6.327 -9.184 1.00 0.00 O ATOM 1005 CB MET A 69 -10.732 -6.043 -9.099 1.00 0.00 C ATOM 1006 CG MET A 69 -11.868 -6.890 -9.674 1.00 0.00 C ATOM 1007 SD MET A 69 -12.907 -6.026 -10.880 1.00 0.00 S ATOM 1008 CE MET A 69 -13.280 -4.533 -9.930 1.00 0.00 C ATOM 0 H MET A 69 -11.092 -6.736 -6.773 1.00 0.00 H new ATOM 0 HA MET A 69 -9.582 -7.864 -8.914 1.00 0.00 H new ATOM 0 HB2 MET A 69 -11.134 -5.292 -8.419 1.00 0.00 H new ATOM 0 HB3 MET A 69 -10.224 -5.508 -9.901 1.00 0.00 H new ATOM 0 HG2 MET A 69 -11.442 -7.775 -10.147 1.00 0.00 H new ATOM 0 HG3 MET A 69 -12.496 -7.238 -8.854 1.00 0.00 H new ATOM 0 HE1 MET A 69 -13.903 -3.868 -10.528 1.00 0.00 H new ATOM 0 HE2 MET A 69 -13.811 -4.805 -9.018 1.00 0.00 H new ATOM 0 HE3 MET A 69 -12.351 -4.025 -9.671 1.00 0.00 H new ATOM 1018 N ALA A 70 -8.108 -5.550 -7.147 1.00 0.00 N ATOM 1019 CA ALA A 70 -6.809 -4.923 -6.952 1.00 0.00 C ATOM 1020 C ALA A 70 -5.729 -5.991 -6.767 1.00 0.00 C ATOM 1021 O ALA A 70 -4.573 -5.777 -7.126 1.00 0.00 O ATOM 1022 CB ALA A 70 -6.879 -4.005 -5.734 1.00 0.00 C ATOM 0 H ALA A 70 -8.764 -5.414 -6.378 1.00 0.00 H new ATOM 0 HA ALA A 70 -6.549 -4.332 -7.830 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -5.910 -3.531 -5.580 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -7.636 -3.238 -5.899 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -7.141 -4.590 -4.852 1.00 0.00 H new ATOM 1028 N LEU A 71 -6.104 -7.145 -6.208 1.00 0.00 N ATOM 1029 CA LEU A 71 -5.187 -8.254 -5.997 1.00 0.00 C ATOM 1030 C LEU A 71 -4.955 -9.036 -7.293 1.00 0.00 C ATOM 1031 O LEU A 71 -3.985 -9.783 -7.396 1.00 0.00 O ATOM 1032 CB LEU A 71 -5.758 -9.161 -4.906 1.00 0.00 C ATOM 1033 CG LEU A 71 -5.937 -8.377 -3.602 1.00 0.00 C ATOM 1034 CD1 LEU A 71 -6.750 -9.194 -2.606 1.00 0.00 C ATOM 1035 CD2 LEU A 71 -4.596 -8.006 -2.984 1.00 0.00 C ATOM 0 H LEU A 71 -7.055 -7.331 -5.890 1.00 0.00 H new ATOM 0 HA LEU A 71 -4.219 -7.866 -5.681 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -6.716 -9.569 -5.227 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -5.091 -10.007 -4.741 1.00 0.00 H new ATOM 0 HG LEU A 71 -6.468 -7.456 -3.841 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -6.871 -8.627 -1.683 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -7.731 -9.412 -3.029 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -6.231 -10.128 -2.392 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -4.762 -7.451 -2.061 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -4.033 -8.913 -2.766 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -4.032 -7.388 -3.683 1.00 0.00 H new ATOM 1047 N LYS A 72 -5.838 -8.873 -8.285 1.00 0.00 N ATOM 1048 CA LYS A 72 -5.678 -9.530 -9.581 1.00 0.00 C ATOM 1049 C LYS A 72 -4.507 -8.977 -10.393 1.00 0.00 C ATOM 1050 O LYS A 72 -4.182 -9.547 -11.433 1.00 0.00 O ATOM 1051 CB LYS A 72 -6.953 -9.406 -10.415 1.00 0.00 C ATOM 1052 CG LYS A 72 -8.158 -10.068 -9.749 1.00 0.00 C ATOM 1053 CD LYS A 72 -7.949 -11.568 -9.528 1.00 0.00 C ATOM 1054 CE LYS A 72 -9.141 -12.113 -8.745 1.00 0.00 C ATOM 1055 NZ LYS A 72 -9.021 -13.568 -8.537 1.00 0.00 N ATOM 0 H LYS A 72 -6.672 -8.290 -8.212 1.00 0.00 H new ATOM 0 HA LYS A 72 -5.470 -10.576 -9.358 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -7.170 -8.351 -10.585 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -6.789 -9.859 -11.393 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -8.351 -9.585 -8.791 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -9.042 -9.914 -10.368 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -7.857 -12.083 -10.484 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -7.023 -11.745 -8.980 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -9.207 -11.609 -7.781 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -10.064 -11.895 -9.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -9.844 -13.911 -8.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -8.982 -14.048 -9.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -8.152 -13.772 -8.003 1.00 0.00 H new ATOM 1069 N LYS A 73 -3.869 -7.887 -9.947 1.00 0.00 N ATOM 1070 CA LYS A 73 -2.721 -7.326 -10.647 1.00 0.00 C ATOM 1071 C LYS A 73 -1.547 -7.107 -9.698 1.00 0.00 C ATOM 1072 O LYS A 73 -0.660 -6.296 -9.959 1.00 0.00 O ATOM 1073 CB LYS A 73 -3.116 -6.058 -11.408 1.00 0.00 C ATOM 1074 CG LYS A 73 -3.344 -4.857 -10.489 1.00 0.00 C ATOM 1075 CD LYS A 73 -4.804 -4.625 -10.099 1.00 0.00 C ATOM 1076 CE LYS A 73 -5.725 -4.399 -11.304 1.00 0.00 C ATOM 1077 NZ LYS A 73 -5.215 -3.359 -12.219 1.00 0.00 N ATOM 0 H LYS A 73 -4.134 -7.380 -9.103 1.00 0.00 H new ATOM 0 HA LYS A 73 -2.381 -8.047 -11.391 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -2.335 -5.815 -12.128 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -4.025 -6.251 -11.977 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -2.756 -4.993 -9.581 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -2.966 -3.961 -10.982 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -5.163 -5.485 -9.533 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -4.863 -3.760 -9.438 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -5.839 -5.335 -11.851 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -6.716 -4.114 -10.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -5.958 -3.100 -12.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -4.939 -2.519 -11.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -4.388 -3.724 -12.733 1.00 0.00 H new ATOM 1091 N ASP A 74 -1.568 -7.852 -8.596 1.00 0.00 N ATOM 1092 CA ASP A 74 -0.581 -7.846 -7.523 1.00 0.00 C ATOM 1093 C ASP A 74 0.899 -7.937 -7.926 1.00 0.00 C ATOM 1094 O ASP A 74 1.745 -7.924 -7.034 1.00 0.00 O ATOM 1095 CB ASP A 74 -0.941 -8.968 -6.548 1.00 0.00 C ATOM 1096 CG ASP A 74 -0.814 -10.371 -7.150 1.00 0.00 C ATOM 1097 OD1 ASP A 74 -0.415 -10.483 -8.330 1.00 0.00 O ATOM 1098 OD2 ASP A 74 -1.123 -11.333 -6.411 1.00 0.00 O ATOM 0 H ASP A 74 -2.321 -8.516 -8.419 1.00 0.00 H new ATOM 0 HA ASP A 74 -0.644 -6.855 -7.074 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -0.295 -8.898 -5.673 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -1.964 -8.822 -6.202 1.00 0.00 H new ATOM 1103 N ARG A 75 1.243 -8.027 -9.218 1.00 0.00 N ATOM 1104 CA ARG A 75 2.634 -8.077 -9.655 1.00 0.00 C ATOM 1105 C ARG A 75 2.811 -7.494 -11.064 1.00 0.00 C ATOM 1106 O ARG A 75 3.869 -7.657 -11.668 1.00 0.00 O ATOM 1107 CB ARG A 75 3.075 -9.538 -9.628 1.00 0.00 C ATOM 1108 CG ARG A 75 4.584 -9.743 -9.548 1.00 0.00 C ATOM 1109 CD ARG A 75 4.829 -11.236 -9.711 1.00 0.00 C ATOM 1110 NE ARG A 75 6.262 -11.535 -9.786 1.00 0.00 N ATOM 1111 CZ ARG A 75 6.764 -12.770 -9.869 1.00 0.00 C ATOM 1112 NH1 ARG A 75 5.961 -13.833 -9.884 1.00 0.00 N ATOM 1113 NH2 ARG A 75 8.080 -12.948 -9.938 1.00 0.00 N ATOM 0 H ARG A 75 0.566 -8.067 -9.980 1.00 0.00 H new ATOM 0 HA ARG A 75 3.246 -7.472 -8.986 1.00 0.00 H new ATOM 0 HB2 ARG A 75 2.609 -10.029 -8.774 1.00 0.00 H new ATOM 0 HB3 ARG A 75 2.701 -10.034 -10.524 1.00 0.00 H new ATOM 0 HG2 ARG A 75 5.094 -9.179 -10.329 1.00 0.00 H new ATOM 0 HG3 ARG A 75 4.973 -9.388 -8.594 1.00 0.00 H new ATOM 0 HD2 ARG A 75 4.387 -11.773 -8.872 1.00 0.00 H new ATOM 0 HD3 ARG A 75 4.333 -11.592 -10.614 1.00 0.00 H new ATOM 0 HE ARG A 75 6.916 -10.752 -9.774 1.00 0.00 H new ATOM 0 HH11 ARG A 75 4.950 -13.709 -9.832 1.00 0.00 H new ATOM 0 HH12 ARG A 75 6.357 -14.771 -9.948 1.00 0.00 H new ATOM 0 HH21 ARG A 75 8.705 -12.142 -9.927 1.00 0.00 H new ATOM 0 HH22 ARG A 75 8.465 -13.891 -10.001 1.00 0.00 H new ATOM 1127 N GLU A 76 1.790 -6.818 -11.598 1.00 0.00 N ATOM 1128 CA GLU A 76 1.840 -6.277 -12.954 1.00 0.00 C ATOM 1129 C GLU A 76 2.775 -5.073 -13.064 1.00 0.00 C ATOM 1130 O GLU A 76 3.611 -4.823 -12.198 1.00 0.00 O ATOM 1131 CB GLU A 76 0.440 -5.889 -13.436 1.00 0.00 C ATOM 1132 CG GLU A 76 -0.505 -7.080 -13.395 1.00 0.00 C ATOM 1133 CD GLU A 76 0.084 -8.316 -14.072 1.00 0.00 C ATOM 1134 OE1 GLU A 76 0.341 -8.238 -15.294 1.00 0.00 O ATOM 1135 OE2 GLU A 76 0.272 -9.332 -13.364 1.00 0.00 O ATOM 0 H GLU A 76 0.915 -6.633 -11.107 1.00 0.00 H new ATOM 0 HA GLU A 76 2.237 -7.067 -13.592 1.00 0.00 H new ATOM 0 HB2 GLU A 76 0.046 -5.087 -12.811 1.00 0.00 H new ATOM 0 HB3 GLU A 76 0.497 -5.501 -14.453 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -0.742 -7.316 -12.358 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -1.442 -6.813 -13.884 1.00 0.00 H new ATOM 1142 N SER A 77 2.616 -4.325 -14.157 1.00 0.00 N ATOM 1143 CA SER A 77 3.444 -3.174 -14.479 1.00 0.00 C ATOM 1144 C SER A 77 2.592 -2.075 -15.104 1.00 0.00 C ATOM 1145 O SER A 77 1.590 -2.354 -15.761 1.00 0.00 O ATOM 1146 CB SER A 77 4.530 -3.620 -15.459 1.00 0.00 C ATOM 1147 OG SER A 77 5.232 -2.505 -15.969 1.00 0.00 O ATOM 0 H SER A 77 1.893 -4.510 -14.853 1.00 0.00 H new ATOM 0 HA SER A 77 3.901 -2.778 -13.572 1.00 0.00 H new ATOM 0 HB2 SER A 77 5.224 -4.295 -14.958 1.00 0.00 H new ATOM 0 HB3 SER A 77 4.079 -4.178 -16.279 1.00 0.00 H new ATOM 0 HG SER A 77 5.431 -1.882 -15.239 1.00 0.00 H new ATOM 1153 N MET A 78 2.997 -0.817 -14.897 1.00 0.00 N ATOM 1154 CA MET A 78 2.322 0.332 -15.488 1.00 0.00 C ATOM 1155 C MET A 78 2.653 0.440 -16.976 1.00 0.00 C ATOM 1156 O MET A 78 2.043 1.235 -17.689 1.00 0.00 O ATOM 1157 CB MET A 78 2.759 1.607 -14.766 1.00 0.00 C ATOM 1158 CG MET A 78 2.243 1.600 -13.329 1.00 0.00 C ATOM 1159 SD MET A 78 2.772 3.029 -12.350 1.00 0.00 S ATOM 1160 CE MET A 78 1.837 2.687 -10.837 1.00 0.00 C ATOM 0 H MET A 78 3.799 -0.573 -14.317 1.00 0.00 H new ATOM 0 HA MET A 78 1.245 0.202 -15.381 1.00 0.00 H new ATOM 0 HB2 MET A 78 3.846 1.682 -14.770 1.00 0.00 H new ATOM 0 HB3 MET A 78 2.378 2.482 -15.293 1.00 0.00 H new ATOM 0 HG2 MET A 78 1.154 1.567 -13.345 1.00 0.00 H new ATOM 0 HG3 MET A 78 2.583 0.689 -12.836 1.00 0.00 H new ATOM 0 HE1 MET A 78 2.323 3.174 -9.991 1.00 0.00 H new ATOM 0 HE2 MET A 78 0.822 3.070 -10.942 1.00 0.00 H new ATOM 0 HE3 MET A 78 1.803 1.611 -10.666 1.00 0.00 H new ATOM 1170 N GLY A 79 3.618 -0.358 -17.441 1.00 0.00 N ATOM 1171 CA GLY A 79 4.047 -0.375 -18.830 1.00 0.00 C ATOM 1172 C GLY A 79 5.564 -0.250 -18.941 1.00 0.00 C ATOM 1173 O GLY A 79 6.121 -0.502 -20.009 1.00 0.00 O ATOM 0 H GLY A 79 4.126 -1.017 -16.851 1.00 0.00 H new ATOM 0 HA2 GLY A 79 3.720 -1.301 -19.303 1.00 0.00 H new ATOM 0 HA3 GLY A 79 3.572 0.444 -19.370 1.00 0.00 H new ATOM 1177 N HIS A 80 6.232 0.138 -17.847 1.00 0.00 N ATOM 1178 CA HIS A 80 7.675 0.335 -17.842 1.00 0.00 C ATOM 1179 C HIS A 80 8.323 -0.088 -16.520 1.00 0.00 C ATOM 1180 O HIS A 80 9.551 -0.132 -16.441 1.00 0.00 O ATOM 1181 CB HIS A 80 7.988 1.811 -18.105 1.00 0.00 C ATOM 1182 CG HIS A 80 7.511 2.306 -19.445 1.00 0.00 C ATOM 1183 ND1 HIS A 80 8.271 2.450 -20.584 1.00 0.00 N ATOM 1184 CD2 HIS A 80 6.238 2.697 -19.759 1.00 0.00 C ATOM 1185 CE1 HIS A 80 7.470 2.921 -21.555 1.00 0.00 C ATOM 1186 NE2 HIS A 80 6.215 3.090 -21.101 1.00 0.00 N ATOM 0 H HIS A 80 5.785 0.321 -16.949 1.00 0.00 H new ATOM 0 HA HIS A 80 8.090 -0.296 -18.628 1.00 0.00 H new ATOM 0 HB2 HIS A 80 7.530 2.415 -17.321 1.00 0.00 H new ATOM 0 HB3 HIS A 80 9.065 1.962 -18.035 1.00 0.00 H new ATOM 0 HD2 HIS A 80 5.394 2.701 -19.085 1.00 0.00 H new ATOM 0 HE1 HIS A 80 7.791 3.135 -22.564 1.00 0.00 H new ATOM 0 HE2 HIS A 80 5.412 3.434 -21.627 1.00 0.00 H new ATOM 1194 N ARG A 81 7.535 -0.400 -15.483 1.00 0.00 N ATOM 1195 CA ARG A 81 8.096 -0.801 -14.197 1.00 0.00 C ATOM 1196 C ARG A 81 7.092 -1.602 -13.368 1.00 0.00 C ATOM 1197 O ARG A 81 5.888 -1.359 -13.413 1.00 0.00 O ATOM 1198 CB ARG A 81 8.544 0.453 -13.440 1.00 0.00 C ATOM 1199 CG ARG A 81 9.300 0.120 -12.150 1.00 0.00 C ATOM 1200 CD ARG A 81 10.604 -0.629 -12.422 1.00 0.00 C ATOM 1201 NE ARG A 81 11.307 -0.920 -11.166 1.00 0.00 N ATOM 1202 CZ ARG A 81 12.601 -1.237 -11.082 1.00 0.00 C ATOM 1203 NH1 ARG A 81 13.353 -1.345 -12.176 1.00 0.00 N ATOM 1204 NH2 ARG A 81 13.151 -1.447 -9.891 1.00 0.00 N ATOM 0 H ARG A 81 6.516 -0.381 -15.513 1.00 0.00 H new ATOM 0 HA ARG A 81 8.952 -1.452 -14.374 1.00 0.00 H new ATOM 0 HB2 ARG A 81 9.182 1.055 -14.086 1.00 0.00 H new ATOM 0 HB3 ARG A 81 7.671 1.060 -13.200 1.00 0.00 H new ATOM 0 HG2 ARG A 81 9.518 1.042 -11.611 1.00 0.00 H new ATOM 0 HG3 ARG A 81 8.664 -0.485 -11.504 1.00 0.00 H new ATOM 0 HD2 ARG A 81 10.392 -1.559 -12.950 1.00 0.00 H new ATOM 0 HD3 ARG A 81 11.243 -0.032 -13.072 1.00 0.00 H new ATOM 0 HE ARG A 81 10.771 -0.877 -10.300 1.00 0.00 H new ATOM 0 HH11 ARG A 81 12.942 -1.185 -13.095 1.00 0.00 H new ATOM 0 HH12 ARG A 81 14.340 -1.588 -12.094 1.00 0.00 H new ATOM 0 HH21 ARG A 81 12.585 -1.366 -9.046 1.00 0.00 H new ATOM 0 HH22 ARG A 81 14.139 -1.689 -9.821 1.00 0.00 H new ATOM 1218 N TYR A 82 7.629 -2.562 -12.612 1.00 0.00 N ATOM 1219 CA TYR A 82 6.905 -3.526 -11.799 1.00 0.00 C ATOM 1220 C TYR A 82 6.269 -2.873 -10.573 1.00 0.00 C ATOM 1221 O TYR A 82 6.859 -2.015 -9.911 1.00 0.00 O ATOM 1222 CB TYR A 82 7.934 -4.618 -11.480 1.00 0.00 C ATOM 1223 CG TYR A 82 7.706 -5.595 -10.346 1.00 0.00 C ATOM 1224 CD1 TYR A 82 6.454 -6.161 -10.049 1.00 0.00 C ATOM 1225 CD2 TYR A 82 8.826 -5.938 -9.575 1.00 0.00 C ATOM 1226 CE1 TYR A 82 6.333 -7.032 -8.958 1.00 0.00 C ATOM 1227 CE2 TYR A 82 8.715 -6.832 -8.505 1.00 0.00 C ATOM 1228 CZ TYR A 82 7.460 -7.383 -8.190 1.00 0.00 C ATOM 1229 OH TYR A 82 7.334 -8.251 -7.149 1.00 0.00 O ATOM 0 H TYR A 82 8.639 -2.690 -12.551 1.00 0.00 H new ATOM 0 HA TYR A 82 6.047 -3.958 -12.314 1.00 0.00 H new ATOM 0 HB2 TYR A 82 8.067 -5.207 -12.387 1.00 0.00 H new ATOM 0 HB3 TYR A 82 8.882 -4.117 -11.284 1.00 0.00 H new ATOM 0 HD1 TYR A 82 5.593 -5.926 -10.657 1.00 0.00 H new ATOM 0 HD2 TYR A 82 9.787 -5.506 -9.811 1.00 0.00 H new ATOM 0 HE1 TYR A 82 5.365 -7.438 -8.703 1.00 0.00 H new ATOM 0 HE2 TYR A 82 9.587 -7.097 -7.925 1.00 0.00 H new ATOM 0 HH TYR A 82 7.450 -9.169 -7.472 1.00 0.00 H new ATOM 1239 N ILE A 83 5.038 -3.309 -10.294 1.00 0.00 N ATOM 1240 CA ILE A 83 4.201 -2.821 -9.213 1.00 0.00 C ATOM 1241 C ILE A 83 3.714 -4.024 -8.413 1.00 0.00 C ATOM 1242 O ILE A 83 3.811 -5.161 -8.869 1.00 0.00 O ATOM 1243 CB ILE A 83 2.982 -2.069 -9.775 1.00 0.00 C ATOM 1244 CG1 ILE A 83 3.344 -1.048 -10.855 1.00 0.00 C ATOM 1245 CG2 ILE A 83 2.204 -1.358 -8.660 1.00 0.00 C ATOM 1246 CD1 ILE A 83 4.204 0.100 -10.334 1.00 0.00 C ATOM 0 H ILE A 83 4.586 -4.041 -10.842 1.00 0.00 H new ATOM 0 HA ILE A 83 4.775 -2.139 -8.586 1.00 0.00 H new ATOM 0 HB ILE A 83 2.359 -2.836 -10.236 1.00 0.00 H new ATOM 0 HG12 ILE A 83 3.875 -1.554 -11.661 1.00 0.00 H new ATOM 0 HG13 ILE A 83 2.428 -0.642 -11.283 1.00 0.00 H new ATOM 0 HG21 ILE A 83 1.349 -0.836 -9.089 1.00 0.00 H new ATOM 0 HG22 ILE A 83 1.854 -2.093 -7.935 1.00 0.00 H new ATOM 0 HG23 ILE A 83 2.856 -0.640 -8.163 1.00 0.00 H new ATOM 0 HD11 ILE A 83 4.425 0.788 -11.150 1.00 0.00 H new ATOM 0 HD12 ILE A 83 3.666 0.630 -9.548 1.00 0.00 H new ATOM 0 HD13 ILE A 83 5.136 -0.297 -9.932 1.00 0.00 H new ATOM 1258 N GLU A 84 3.188 -3.779 -7.215 1.00 0.00 N ATOM 1259 CA GLU A 84 2.691 -4.835 -6.358 1.00 0.00 C ATOM 1260 C GLU A 84 1.456 -4.372 -5.595 1.00 0.00 C ATOM 1261 O GLU A 84 1.280 -3.180 -5.348 1.00 0.00 O ATOM 1262 CB GLU A 84 3.797 -5.214 -5.377 1.00 0.00 C ATOM 1263 CG GLU A 84 4.635 -6.376 -5.900 1.00 0.00 C ATOM 1264 CD GLU A 84 5.560 -6.873 -4.794 1.00 0.00 C ATOM 1265 OE1 GLU A 84 6.195 -6.005 -4.158 1.00 0.00 O ATOM 1266 OE2 GLU A 84 5.622 -8.108 -4.598 1.00 0.00 O ATOM 0 H GLU A 84 3.098 -2.844 -6.819 1.00 0.00 H new ATOM 0 HA GLU A 84 2.409 -5.696 -6.963 1.00 0.00 H new ATOM 0 HB2 GLU A 84 4.439 -4.351 -5.201 1.00 0.00 H new ATOM 0 HB3 GLU A 84 3.356 -5.485 -4.417 1.00 0.00 H new ATOM 0 HG2 GLU A 84 3.986 -7.184 -6.236 1.00 0.00 H new ATOM 0 HG3 GLU A 84 5.220 -6.057 -6.763 1.00 0.00 H new ATOM 1273 N VAL A 85 0.600 -5.329 -5.223 1.00 0.00 N ATOM 1274 CA VAL A 85 -0.615 -5.057 -4.469 1.00 0.00 C ATOM 1275 C VAL A 85 -0.827 -6.176 -3.463 1.00 0.00 C ATOM 1276 O VAL A 85 -0.664 -7.351 -3.789 1.00 0.00 O ATOM 1277 CB VAL A 85 -1.839 -4.977 -5.388 1.00 0.00 C ATOM 1278 CG1 VAL A 85 -3.002 -4.350 -4.618 1.00 0.00 C ATOM 1279 CG2 VAL A 85 -1.566 -4.133 -6.630 1.00 0.00 C ATOM 0 H VAL A 85 0.736 -6.316 -5.440 1.00 0.00 H new ATOM 0 HA VAL A 85 -0.501 -4.096 -3.967 1.00 0.00 H new ATOM 0 HB VAL A 85 -2.080 -5.990 -5.710 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -3.877 -4.290 -5.266 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -3.236 -4.964 -3.748 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -2.723 -3.348 -4.290 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -2.460 -4.103 -7.253 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -1.299 -3.120 -6.330 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -0.744 -4.573 -7.195 1.00 0.00 H new ATOM 1289 N PHE A 86 -1.192 -5.813 -2.236 1.00 0.00 N ATOM 1290 CA PHE A 86 -1.298 -6.767 -1.143 1.00 0.00 C ATOM 1291 C PHE A 86 -2.610 -6.536 -0.410 1.00 0.00 C ATOM 1292 O PHE A 86 -3.123 -5.420 -0.381 1.00 0.00 O ATOM 1293 CB PHE A 86 -0.087 -6.569 -0.230 1.00 0.00 C ATOM 1294 CG PHE A 86 0.302 -7.728 0.658 1.00 0.00 C ATOM 1295 CD1 PHE A 86 -0.374 -7.963 1.861 1.00 0.00 C ATOM 1296 CD2 PHE A 86 1.358 -8.569 0.283 1.00 0.00 C ATOM 1297 CE1 PHE A 86 0.019 -9.020 2.693 1.00 0.00 C ATOM 1298 CE2 PHE A 86 1.752 -9.628 1.106 1.00 0.00 C ATOM 1299 CZ PHE A 86 1.084 -9.854 2.317 1.00 0.00 C ATOM 0 H PHE A 86 -1.421 -4.854 -1.975 1.00 0.00 H new ATOM 0 HA PHE A 86 -1.300 -7.796 -1.503 1.00 0.00 H new ATOM 0 HB2 PHE A 86 0.770 -6.319 -0.855 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -0.281 -5.705 0.406 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -1.200 -7.329 2.148 1.00 0.00 H new ATOM 0 HD2 PHE A 86 1.873 -8.397 -0.651 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -0.498 -9.193 3.625 1.00 0.00 H new ATOM 0 HE2 PHE A 86 2.568 -10.270 0.810 1.00 0.00 H new ATOM 0 HZ PHE A 86 1.388 -10.667 2.959 1.00 0.00 H new ATOM 1309 N LYS A 87 -3.163 -7.588 0.189 1.00 0.00 N ATOM 1310 CA LYS A 87 -4.463 -7.505 0.827 1.00 0.00 C ATOM 1311 C LYS A 87 -4.351 -6.828 2.190 1.00 0.00 C ATOM 1312 O LYS A 87 -3.365 -7.002 2.901 1.00 0.00 O ATOM 1313 CB LYS A 87 -5.031 -8.918 0.932 1.00 0.00 C ATOM 1314 CG LYS A 87 -6.500 -8.877 1.329 1.00 0.00 C ATOM 1315 CD LYS A 87 -7.076 -10.292 1.321 1.00 0.00 C ATOM 1316 CE LYS A 87 -8.580 -10.247 1.582 1.00 0.00 C ATOM 1317 NZ LYS A 87 -9.143 -11.606 1.660 1.00 0.00 N ATOM 0 H LYS A 87 -2.725 -8.508 0.243 1.00 0.00 H new ATOM 0 HA LYS A 87 -5.142 -6.892 0.234 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -4.921 -9.432 -0.023 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -4.466 -9.489 1.668 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -6.606 -8.436 2.320 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -7.056 -8.244 0.637 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -6.880 -10.768 0.360 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -6.585 -10.897 2.083 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -8.775 -9.715 2.513 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -9.074 -9.690 0.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -10.181 -11.554 1.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -8.804 -12.169 0.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -8.842 -12.056 2.548 1.00 0.00 H new ATOM 1331 N SER A 88 -5.372 -6.053 2.550 1.00 0.00 N ATOM 1332 CA SER A 88 -5.404 -5.329 3.813 1.00 0.00 C ATOM 1333 C SER A 88 -6.806 -5.360 4.421 1.00 0.00 C ATOM 1334 O SER A 88 -7.725 -5.955 3.861 1.00 0.00 O ATOM 1335 CB SER A 88 -4.913 -3.896 3.593 1.00 0.00 C ATOM 1336 OG SER A 88 -4.775 -3.226 4.829 1.00 0.00 O ATOM 0 H SER A 88 -6.200 -5.911 1.972 1.00 0.00 H new ATOM 0 HA SER A 88 -4.737 -5.815 4.525 1.00 0.00 H new ATOM 0 HB2 SER A 88 -3.956 -3.909 3.071 1.00 0.00 H new ATOM 0 HB3 SER A 88 -5.616 -3.358 2.957 1.00 0.00 H new ATOM 0 HG SER A 88 -4.369 -3.830 5.485 1.00 0.00 H new ATOM 1342 N HIS A 89 -6.961 -4.712 5.577 1.00 0.00 N ATOM 1343 CA HIS A 89 -8.193 -4.735 6.353 1.00 0.00 C ATOM 1344 C HIS A 89 -8.390 -3.433 7.132 1.00 0.00 C ATOM 1345 O HIS A 89 -9.252 -3.365 8.005 1.00 0.00 O ATOM 1346 CB HIS A 89 -8.141 -5.944 7.290 1.00 0.00 C ATOM 1347 CG HIS A 89 -6.848 -6.036 8.055 1.00 0.00 C ATOM 1348 ND1 HIS A 89 -6.593 -5.520 9.305 1.00 0.00 N ATOM 1349 CD2 HIS A 89 -5.700 -6.651 7.631 1.00 0.00 C ATOM 1350 CE1 HIS A 89 -5.314 -5.801 9.612 1.00 0.00 C ATOM 1351 NE2 HIS A 89 -4.727 -6.497 8.624 1.00 0.00 N ATOM 0 H HIS A 89 -6.223 -4.151 6.002 1.00 0.00 H new ATOM 0 HA HIS A 89 -9.048 -4.822 5.683 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -8.971 -5.888 7.994 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -8.279 -6.855 6.708 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -5.569 -7.166 6.691 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -4.825 -5.507 10.529 1.00 0.00 H new ATOM 0 HE2 HIS A 89 -3.768 -6.843 8.602 1.00 0.00 H new ATOM 1359 N ARG A 90 -7.590 -2.407 6.813 1.00 0.00 N ATOM 1360 CA ARG A 90 -7.708 -1.042 7.326 1.00 0.00 C ATOM 1361 C ARG A 90 -7.193 -0.884 8.757 1.00 0.00 C ATOM 1362 O ARG A 90 -6.728 0.196 9.112 1.00 0.00 O ATOM 1363 CB ARG A 90 -9.160 -0.558 7.204 1.00 0.00 C ATOM 1364 CG ARG A 90 -9.240 0.963 7.340 1.00 0.00 C ATOM 1365 CD ARG A 90 -10.682 1.444 7.184 1.00 0.00 C ATOM 1366 NE ARG A 90 -11.539 0.932 8.260 1.00 0.00 N ATOM 1367 CZ ARG A 90 -12.829 1.249 8.400 1.00 0.00 C ATOM 1368 NH1 ARG A 90 -13.424 2.076 7.542 1.00 0.00 N ATOM 1369 NH2 ARG A 90 -13.532 0.737 9.407 1.00 0.00 N ATOM 0 H ARG A 90 -6.811 -2.513 6.163 1.00 0.00 H new ATOM 0 HA ARG A 90 -7.064 -0.415 6.709 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -9.570 -0.863 6.241 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -9.771 -1.029 7.974 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -8.853 1.267 8.313 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -8.610 1.434 6.585 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -10.705 2.534 7.186 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -11.073 1.119 6.220 1.00 0.00 H new ATOM 0 HE ARG A 90 -11.125 0.296 8.942 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -12.894 2.475 6.767 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -14.410 2.310 7.660 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -13.086 0.104 10.070 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -14.517 0.978 9.516 1.00 0.00 H new ATOM 1383 N THR A 91 -7.263 -1.931 9.584 1.00 0.00 N ATOM 1384 CA THR A 91 -6.748 -1.847 10.947 1.00 0.00 C ATOM 1385 C THR A 91 -5.231 -1.688 10.926 1.00 0.00 C ATOM 1386 O THR A 91 -4.674 -0.944 11.730 1.00 0.00 O ATOM 1387 CB THR A 91 -7.133 -3.100 11.735 1.00 0.00 C ATOM 1388 OG1 THR A 91 -8.531 -3.277 11.691 1.00 0.00 O ATOM 1389 CG2 THR A 91 -6.691 -2.971 13.189 1.00 0.00 C ATOM 0 H THR A 91 -7.666 -2.834 9.335 1.00 0.00 H new ATOM 0 HA THR A 91 -7.187 -0.977 11.434 1.00 0.00 H new ATOM 0 HB THR A 91 -6.636 -3.960 11.286 1.00 0.00 H new ATOM 0 HG1 THR A 91 -8.775 -4.081 12.195 1.00 0.00 H new ATOM 0 HG21 THR A 91 -6.972 -3.871 13.736 1.00 0.00 H new ATOM 0 HG22 THR A 91 -5.609 -2.845 13.231 1.00 0.00 H new ATOM 0 HG23 THR A 91 -7.175 -2.105 13.641 1.00 0.00 H new ATOM 1397 N GLU A 92 -4.559 -2.386 10.007 1.00 0.00 N ATOM 1398 CA GLU A 92 -3.123 -2.240 9.835 1.00 0.00 C ATOM 1399 C GLU A 92 -2.818 -0.862 9.267 1.00 0.00 C ATOM 1400 O GLU A 92 -1.861 -0.220 9.691 1.00 0.00 O ATOM 1401 CB GLU A 92 -2.619 -3.322 8.878 1.00 0.00 C ATOM 1402 CG GLU A 92 -1.094 -3.269 8.791 1.00 0.00 C ATOM 1403 CD GLU A 92 -0.544 -4.308 7.817 1.00 0.00 C ATOM 1404 OE1 GLU A 92 -0.814 -5.511 8.029 1.00 0.00 O ATOM 1405 OE2 GLU A 92 0.148 -3.891 6.862 1.00 0.00 O ATOM 0 H GLU A 92 -4.993 -3.057 9.373 1.00 0.00 H new ATOM 0 HA GLU A 92 -2.622 -2.347 10.797 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -2.938 -4.305 9.225 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -3.054 -3.177 7.889 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -0.783 -2.274 8.474 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -0.668 -3.437 9.780 1.00 0.00 H new ATOM 1412 N MET A 93 -3.632 -0.414 8.310 1.00 0.00 N ATOM 1413 CA MET A 93 -3.426 0.864 7.653 1.00 0.00 C ATOM 1414 C MET A 93 -3.464 1.988 8.681 1.00 0.00 C ATOM 1415 O MET A 93 -2.617 2.876 8.651 1.00 0.00 O ATOM 1416 CB MET A 93 -4.501 1.034 6.575 1.00 0.00 C ATOM 1417 CG MET A 93 -4.338 2.333 5.783 1.00 0.00 C ATOM 1418 SD MET A 93 -4.883 3.844 6.624 1.00 0.00 S ATOM 1419 CE MET A 93 -6.656 3.500 6.759 1.00 0.00 C ATOM 0 H MET A 93 -4.446 -0.928 7.975 1.00 0.00 H new ATOM 0 HA MET A 93 -2.447 0.900 7.176 1.00 0.00 H new ATOM 0 HB2 MET A 93 -4.461 0.187 5.890 1.00 0.00 H new ATOM 0 HB3 MET A 93 -5.485 1.019 7.043 1.00 0.00 H new ATOM 0 HG2 MET A 93 -3.286 2.446 5.519 1.00 0.00 H new ATOM 0 HG3 MET A 93 -4.893 2.239 4.849 1.00 0.00 H new ATOM 0 HE1 MET A 93 -7.198 4.435 6.899 1.00 0.00 H new ATOM 0 HE2 MET A 93 -7.002 3.012 5.848 1.00 0.00 H new ATOM 0 HE3 MET A 93 -6.836 2.845 7.612 1.00 0.00 H new ATOM 1429 N ASP A 94 -4.443 1.955 9.590 1.00 0.00 N ATOM 1430 CA ASP A 94 -4.611 2.993 10.595 1.00 0.00 C ATOM 1431 C ASP A 94 -3.443 3.023 11.576 1.00 0.00 C ATOM 1432 O ASP A 94 -3.104 4.075 12.113 1.00 0.00 O ATOM 1433 CB ASP A 94 -5.900 2.715 11.358 1.00 0.00 C ATOM 1434 CG ASP A 94 -6.232 3.840 12.336 1.00 0.00 C ATOM 1435 OD1 ASP A 94 -6.496 4.967 11.857 1.00 0.00 O ATOM 1436 OD2 ASP A 94 -6.221 3.567 13.556 1.00 0.00 O ATOM 0 H ASP A 94 -5.136 1.208 9.645 1.00 0.00 H new ATOM 0 HA ASP A 94 -4.650 3.961 10.095 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -6.721 2.592 10.652 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -5.805 1.776 11.903 1.00 0.00 H new ATOM 1441 N TRP A 95 -2.830 1.861 11.806 1.00 0.00 N ATOM 1442 CA TRP A 95 -1.749 1.726 12.770 1.00 0.00 C ATOM 1443 C TRP A 95 -0.451 2.357 12.270 1.00 0.00 C ATOM 1444 O TRP A 95 0.093 3.239 12.928 1.00 0.00 O ATOM 1445 CB TRP A 95 -1.531 0.241 13.055 1.00 0.00 C ATOM 1446 CG TRP A 95 -0.428 -0.054 14.020 1.00 0.00 C ATOM 1447 CD1 TRP A 95 -0.502 0.063 15.363 1.00 0.00 C ATOM 1448 CD2 TRP A 95 0.928 -0.520 13.740 1.00 0.00 C ATOM 1449 NE1 TRP A 95 0.705 -0.288 15.931 1.00 0.00 N ATOM 1450 CE2 TRP A 95 1.628 -0.653 14.971 1.00 0.00 C ATOM 1451 CE3 TRP A 95 1.635 -0.839 12.566 1.00 0.00 C ATOM 1452 CZ2 TRP A 95 2.960 -1.078 15.035 1.00 0.00 C ATOM 1453 CZ3 TRP A 95 2.974 -1.256 12.617 1.00 0.00 C ATOM 1454 CH2 TRP A 95 3.637 -1.377 13.846 1.00 0.00 C ATOM 0 H TRP A 95 -3.071 0.993 11.329 1.00 0.00 H new ATOM 0 HA TRP A 95 -2.032 2.254 13.681 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -2.458 -0.180 13.444 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -1.319 -0.268 12.115 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -1.376 0.384 15.911 1.00 0.00 H new ATOM 0 HE1 TRP A 95 0.892 -0.279 16.934 1.00 0.00 H new ATOM 0 HE3 TRP A 95 1.139 -0.762 11.610 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 3.459 -1.174 15.988 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 3.498 -1.486 11.701 1.00 0.00 H new ATOM 0 HH2 TRP A 95 4.667 -1.700 13.876 1.00 0.00 H new ATOM 1465 N VAL A 96 0.053 1.917 11.113 1.00 0.00 N ATOM 1466 CA VAL A 96 1.339 2.388 10.605 1.00 0.00 C ATOM 1467 C VAL A 96 1.265 3.836 10.121 1.00 0.00 C ATOM 1468 O VAL A 96 2.281 4.528 10.124 1.00 0.00 O ATOM 1469 CB VAL A 96 1.845 1.428 9.525 1.00 0.00 C ATOM 1470 CG1 VAL A 96 0.823 1.272 8.414 1.00 0.00 C ATOM 1471 CG2 VAL A 96 3.175 1.900 8.943 1.00 0.00 C ATOM 0 H VAL A 96 -0.412 1.236 10.513 1.00 0.00 H new ATOM 0 HA VAL A 96 2.062 2.391 11.420 1.00 0.00 H new ATOM 0 HB VAL A 96 1.999 0.459 9.999 1.00 0.00 H new ATOM 0 HG11 VAL A 96 1.207 0.585 7.660 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -0.105 0.876 8.826 1.00 0.00 H new ATOM 0 HG13 VAL A 96 0.632 2.243 7.957 1.00 0.00 H new ATOM 0 HG21 VAL A 96 3.508 1.197 8.179 1.00 0.00 H new ATOM 0 HG22 VAL A 96 3.048 2.887 8.498 1.00 0.00 H new ATOM 0 HG23 VAL A 96 3.921 1.954 9.736 1.00 0.00 H new ATOM 1481 N LEU A 97 0.088 4.317 9.706 1.00 0.00 N ATOM 1482 CA LEU A 97 -0.079 5.713 9.322 1.00 0.00 C ATOM 1483 C LEU A 97 0.003 6.635 10.543 1.00 0.00 C ATOM 1484 O LEU A 97 0.019 7.855 10.382 1.00 0.00 O ATOM 1485 CB LEU A 97 -1.442 5.903 8.640 1.00 0.00 C ATOM 1486 CG LEU A 97 -1.405 6.028 7.113 1.00 0.00 C ATOM 1487 CD1 LEU A 97 -0.569 7.231 6.679 1.00 0.00 C ATOM 1488 CD2 LEU A 97 -0.868 4.768 6.441 1.00 0.00 C ATOM 0 H LEU A 97 -0.760 3.756 9.629 1.00 0.00 H new ATOM 0 HA LEU A 97 0.725 5.973 8.633 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -2.081 5.060 8.903 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -1.912 6.798 9.049 1.00 0.00 H new ATOM 0 HG LEU A 97 -2.437 6.170 6.792 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -0.561 7.295 5.591 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -1.001 8.142 7.093 1.00 0.00 H new ATOM 0 HD13 LEU A 97 0.452 7.115 7.044 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -0.862 4.907 5.360 1.00 0.00 H new ATOM 0 HD22 LEU A 97 0.147 4.575 6.788 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -1.505 3.921 6.694 1.00 0.00 H new ATOM 1500 N LYS A 98 0.054 6.072 11.758 1.00 0.00 N ATOM 1501 CA LYS A 98 -0.005 6.839 12.994 1.00 0.00 C ATOM 1502 C LYS A 98 0.972 6.328 14.054 1.00 0.00 C ATOM 1503 O LYS A 98 0.926 6.784 15.196 1.00 0.00 O ATOM 1504 CB LYS A 98 -1.432 6.764 13.526 1.00 0.00 C ATOM 1505 CG LYS A 98 -2.411 7.373 12.523 1.00 0.00 C ATOM 1506 CD LYS A 98 -3.816 7.337 13.108 1.00 0.00 C ATOM 1507 CE LYS A 98 -4.809 7.902 12.095 1.00 0.00 C ATOM 1508 NZ LYS A 98 -6.200 7.678 12.530 1.00 0.00 N ATOM 0 H LYS A 98 0.138 5.066 11.904 1.00 0.00 H new ATOM 0 HA LYS A 98 0.285 7.867 12.776 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -1.700 5.725 13.720 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -1.500 7.293 14.477 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -2.125 8.400 12.296 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -2.381 6.819 11.585 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -4.087 6.313 13.366 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -3.852 7.918 14.030 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -4.633 8.970 11.966 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -4.649 7.433 11.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -6.826 8.362 12.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -6.491 6.712 12.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -6.266 7.803 13.560 1.00 0.00 H new ATOM 1522 N HIS A 99 1.855 5.390 13.698 1.00 0.00 N ATOM 1523 CA HIS A 99 2.773 4.786 14.659 1.00 0.00 C ATOM 1524 C HIS A 99 4.087 4.348 14.002 1.00 0.00 C ATOM 1525 O HIS A 99 4.868 3.617 14.610 1.00 0.00 O ATOM 1526 CB HIS A 99 2.070 3.601 15.328 1.00 0.00 C ATOM 1527 CG HIS A 99 2.792 3.077 16.541 1.00 0.00 C ATOM 1528 ND1 HIS A 99 3.407 1.852 16.659 1.00 0.00 N ATOM 1529 CD2 HIS A 99 2.958 3.729 17.733 1.00 0.00 C ATOM 1530 CE1 HIS A 99 3.928 1.773 17.896 1.00 0.00 C ATOM 1531 NE2 HIS A 99 3.682 2.896 18.595 1.00 0.00 N ATOM 0 H HIS A 99 1.951 5.034 12.747 1.00 0.00 H new ATOM 0 HA HIS A 99 3.039 5.531 15.409 1.00 0.00 H new ATOM 0 HB2 HIS A 99 1.063 3.903 15.617 1.00 0.00 H new ATOM 0 HB3 HIS A 99 1.965 2.795 14.602 1.00 0.00 H new ATOM 0 HD1 HIS A 99 3.458 1.133 15.938 1.00 0.00 H new ATOM 0 HD2 HIS A 99 2.593 4.718 17.969 1.00 0.00 H new ATOM 0 HE1 HIS A 99 4.472 0.921 18.278 1.00 0.00 H new ATOM 1539 N SER A 100 4.344 4.783 12.764 1.00 0.00 N ATOM 1540 CA SER A 100 5.574 4.439 12.062 1.00 0.00 C ATOM 1541 C SER A 100 6.806 4.907 12.835 1.00 0.00 C ATOM 1542 O SER A 100 6.731 5.820 13.658 1.00 0.00 O ATOM 1543 CB SER A 100 5.561 5.058 10.665 1.00 0.00 C ATOM 1544 OG SER A 100 5.462 6.462 10.761 1.00 0.00 O ATOM 0 H SER A 100 3.710 5.377 12.230 1.00 0.00 H new ATOM 0 HA SER A 100 5.627 3.354 11.978 1.00 0.00 H new ATOM 0 HB2 SER A 100 6.470 4.785 10.129 1.00 0.00 H new ATOM 0 HB3 SER A 100 4.722 4.664 10.091 1.00 0.00 H new ATOM 0 HG SER A 100 5.916 6.875 9.997 1.00 0.00 H new ATOM 1550 N GLY A 101 7.947 4.271 12.562 1.00 0.00 N ATOM 1551 CA GLY A 101 9.206 4.621 13.199 1.00 0.00 C ATOM 1552 C GLY A 101 10.339 3.713 12.723 1.00 0.00 C ATOM 1553 O GLY A 101 10.102 2.786 11.948 1.00 0.00 O ATOM 0 H GLY A 101 8.018 3.503 11.895 1.00 0.00 H new ATOM 0 HA2 GLY A 101 9.452 5.660 12.978 1.00 0.00 H new ATOM 0 HA3 GLY A 101 9.103 4.541 14.281 1.00 0.00 H new ATOM 1557 N PRO A 102 11.569 3.978 13.186 1.00 0.00 N ATOM 1558 CA PRO A 102 12.761 3.201 12.879 1.00 0.00 C ATOM 1559 C PRO A 102 12.543 1.696 13.031 1.00 0.00 C ATOM 1560 O PRO A 102 12.002 1.289 14.083 1.00 0.00 O ATOM 1561 CB PRO A 102 13.837 3.718 13.833 1.00 0.00 C ATOM 1562 CG PRO A 102 13.418 5.165 14.074 1.00 0.00 C ATOM 1563 CD PRO A 102 11.892 5.085 14.067 1.00 0.00 C ATOM 1564 OXT PRO A 102 12.922 0.965 12.090 1.00 0.00 O ATOM 0 HA PRO A 102 13.048 3.327 11.835 1.00 0.00 H new ATOM 0 HB2 PRO A 102 13.862 3.146 14.760 1.00 0.00 H new ATOM 0 HB3 PRO A 102 14.832 3.654 13.392 1.00 0.00 H new ATOM 0 HG2 PRO A 102 13.798 5.543 15.023 1.00 0.00 H new ATOM 0 HG3 PRO A 102 13.791 5.829 13.294 1.00 0.00 H new ATOM 0 HD2 PRO A 102 11.503 4.915 15.071 1.00 0.00 H new ATOM 0 HD3 PRO A 102 11.451 6.015 13.708 1.00 0.00 H new TER 1572 PRO A 102 ATOM 1573 O5' A B 1 18.972 2.672 1.507 1.00 0.00 O ATOM 1574 C5' A B 1 18.672 1.711 0.516 1.00 0.00 C ATOM 1575 C4' A B 1 17.912 0.545 1.135 1.00 0.00 C ATOM 1576 O4' A B 1 16.534 0.833 1.257 1.00 0.00 O ATOM 1577 C3' A B 1 17.939 -0.709 0.271 1.00 0.00 C ATOM 1578 O3' A B 1 19.199 -1.354 0.288 1.00 0.00 O ATOM 1579 C2' A B 1 16.820 -1.503 0.939 1.00 0.00 C ATOM 1580 O2' A B 1 17.313 -2.256 2.029 1.00 0.00 O ATOM 1581 C1' A B 1 15.903 -0.410 1.495 1.00 0.00 C ATOM 1582 N9 A B 1 14.542 -0.544 0.947 1.00 0.00 N ATOM 1583 C8 A B 1 13.863 -1.716 0.798 1.00 0.00 C ATOM 1584 N7 A B 1 12.658 -1.588 0.315 1.00 0.00 N ATOM 1585 C5 A B 1 12.538 -0.210 0.125 1.00 0.00 C ATOM 1586 C6 A B 1 11.496 0.607 -0.356 1.00 0.00 C ATOM 1587 N6 A B 1 10.302 0.141 -0.731 1.00 0.00 N ATOM 1588 N1 A B 1 11.708 1.925 -0.443 1.00 0.00 N ATOM 1589 C2 A B 1 12.881 2.410 -0.058 1.00 0.00 C ATOM 1590 N3 A B 1 13.926 1.769 0.442 1.00 0.00 N ATOM 1591 C4 A B 1 13.689 0.436 0.497 1.00 0.00 C ATOM 0 H5' A B 1 19.592 1.352 0.055 1.00 0.00 H new ATOM 0 H5'' A B 1 18.076 2.166 -0.275 1.00 0.00 H new ATOM 0 H4' A B 1 18.407 0.387 2.093 1.00 0.00 H new ATOM 0 H3' A B 1 17.793 -0.549 -0.797 1.00 0.00 H new ATOM 0 H2' A B 1 16.341 -2.198 0.249 1.00 0.00 H new ATOM 0 HO2' A B 1 17.848 -3.006 1.694 1.00 0.00 H new ATOM 0 HO5' A B 1 19.462 3.418 1.102 1.00 0.00 H new ATOM 0 H1' A B 1 15.758 -0.498 2.572 1.00 0.00 H new ATOM 0 H8 A B 1 14.288 -2.674 1.059 1.00 0.00 H new ATOM 0 H61 A B 1 9.587 0.784 -1.071 1.00 0.00 H new ATOM 0 H62 A B 1 10.105 -0.858 -0.677 1.00 0.00 H new ATOM 0 H2 A B 1 13.000 3.478 -0.168 1.00 0.00 H new ATOM 1604 P G B 2 19.442 -2.769 -0.450 1.00 0.00 P ATOM 1605 OP1 G B 2 18.482 -3.753 0.098 1.00 0.00 O ATOM 1606 OP2 G B 2 20.892 -3.063 -0.390 1.00 0.00 O ATOM 1607 O5' G B 2 19.066 -2.478 -1.990 1.00 0.00 O ATOM 1608 C5' G B 2 18.383 -3.440 -2.773 1.00 0.00 C ATOM 1609 C4' G B 2 16.876 -3.413 -2.506 1.00 0.00 C ATOM 1610 O4' G B 2 16.269 -2.295 -3.114 1.00 0.00 O ATOM 1611 C3' G B 2 16.161 -4.591 -3.149 1.00 0.00 C ATOM 1612 O3' G B 2 16.316 -5.785 -2.409 1.00 0.00 O ATOM 1613 C2' G B 2 14.720 -4.085 -3.130 1.00 0.00 C ATOM 1614 O2' G B 2 14.126 -4.351 -1.875 1.00 0.00 O ATOM 1615 C1' G B 2 14.885 -2.574 -3.242 1.00 0.00 C ATOM 1616 N9 G B 2 14.385 -2.028 -4.521 1.00 0.00 N ATOM 1617 C8 G B 2 15.098 -1.754 -5.654 1.00 0.00 C ATOM 1618 N7 G B 2 14.392 -1.244 -6.625 1.00 0.00 N ATOM 1619 C5 G B 2 13.115 -1.145 -6.080 1.00 0.00 C ATOM 1620 C6 G B 2 11.931 -0.576 -6.629 1.00 0.00 C ATOM 1621 O6 G B 2 11.752 -0.117 -7.755 1.00 0.00 O ATOM 1622 N1 G B 2 10.890 -0.575 -5.715 1.00 0.00 N ATOM 1623 C2 G B 2 10.932 -1.168 -4.479 1.00 0.00 C ATOM 1624 N2 G B 2 9.806 -1.138 -3.769 1.00 0.00 N ATOM 1625 N3 G B 2 12.022 -1.752 -3.971 1.00 0.00 N ATOM 1626 C4 G B 2 13.088 -1.671 -4.811 1.00 0.00 C ATOM 0 H5' G B 2 18.775 -4.433 -2.554 1.00 0.00 H new ATOM 0 H5'' G B 2 18.570 -3.250 -3.830 1.00 0.00 H new ATOM 0 H4' G B 2 16.787 -3.414 -1.420 1.00 0.00 H new ATOM 0 H3' G B 2 16.535 -4.860 -4.137 1.00 0.00 H new ATOM 0 H2' G B 2 14.108 -4.542 -3.907 1.00 0.00 H new ATOM 0 HO2' G B 2 13.151 -4.381 -1.974 1.00 0.00 H new ATOM 0 H1' G B 2 14.294 -2.099 -2.459 1.00 0.00 H new ATOM 0 H8 G B 2 16.158 -1.944 -5.738 1.00 0.00 H new ATOM 0 H1 G B 2 10.029 -0.098 -5.981 1.00 0.00 H new ATOM 0 H21 G B 2 9.776 -1.563 -2.842 1.00 0.00 H new ATOM 0 H22 G B 2 8.973 -0.690 -4.152 1.00 0.00 H new ATOM 1638 P G B 3 16.237 -7.215 -3.139 1.00 0.00 P ATOM 1639 OP1 G B 3 16.383 -8.267 -2.107 1.00 0.00 O ATOM 1640 OP2 G B 3 17.168 -7.191 -4.290 1.00 0.00 O ATOM 1641 O5' G B 3 14.735 -7.271 -3.715 1.00 0.00 O ATOM 1642 C5' G B 3 13.635 -7.592 -2.886 1.00 0.00 C ATOM 1643 C4' G B 3 12.378 -7.709 -3.746 1.00 0.00 C ATOM 1644 O4' G B 3 11.986 -6.448 -4.261 1.00 0.00 O ATOM 1645 C3' G B 3 12.598 -8.648 -4.937 1.00 0.00 C ATOM 1646 O3' G B 3 11.874 -9.854 -4.783 1.00 0.00 O ATOM 1647 C2' G B 3 12.073 -7.837 -6.121 1.00 0.00 C ATOM 1648 O2' G B 3 11.255 -8.608 -6.979 1.00 0.00 O ATOM 1649 C1' G B 3 11.293 -6.702 -5.464 1.00 0.00 C ATOM 1650 N9 G B 3 11.233 -5.515 -6.349 1.00 0.00 N ATOM 1651 C8 G B 3 12.248 -4.931 -7.057 1.00 0.00 C ATOM 1652 N7 G B 3 11.869 -3.939 -7.817 1.00 0.00 N ATOM 1653 C5 G B 3 10.497 -3.850 -7.587 1.00 0.00 C ATOM 1654 C6 G B 3 9.521 -2.987 -8.170 1.00 0.00 C ATOM 1655 O6 G B 3 9.682 -2.100 -9.006 1.00 0.00 O ATOM 1656 N1 G B 3 8.247 -3.241 -7.680 1.00 0.00 N ATOM 1657 C2 G B 3 7.971 -4.130 -6.670 1.00 0.00 C ATOM 1658 N2 G B 3 6.722 -4.150 -6.217 1.00 0.00 N ATOM 1659 N3 G B 3 8.871 -4.953 -6.130 1.00 0.00 N ATOM 1660 C4 G B 3 10.113 -4.770 -6.642 1.00 0.00 C ATOM 0 H5' G B 3 13.500 -6.823 -2.126 1.00 0.00 H new ATOM 0 H5'' G B 3 13.820 -8.529 -2.362 1.00 0.00 H new ATOM 0 H4' G B 3 11.600 -8.108 -3.095 1.00 0.00 H new ATOM 0 H3' G B 3 13.639 -8.951 -5.053 1.00 0.00 H new ATOM 0 H2' G B 3 12.876 -7.480 -6.765 1.00 0.00 H new ATOM 0 HO2' G B 3 10.988 -9.433 -6.522 1.00 0.00 H new ATOM 0 H1' G B 3 10.251 -6.959 -5.274 1.00 0.00 H new ATOM 0 H8 G B 3 13.274 -5.262 -6.993 1.00 0.00 H new ATOM 0 H1 G B 3 7.466 -2.735 -8.097 1.00 0.00 H new ATOM 0 H21 G B 3 6.462 -4.791 -5.468 1.00 0.00 H new ATOM 0 H22 G B 3 6.024 -3.524 -6.619 1.00 0.00 H new ATOM 1672 P G B 4 12.372 -11.004 -3.769 1.00 0.00 P ATOM 1673 OP1 G B 4 13.833 -10.856 -3.584 1.00 0.00 O ATOM 1674 OP2 G B 4 11.829 -12.295 -4.250 1.00 0.00 O ATOM 1675 O5' G B 4 11.644 -10.642 -2.376 1.00 0.00 O ATOM 1676 C5' G B 4 12.221 -11.018 -1.140 1.00 0.00 C ATOM 1677 C4' G B 4 11.264 -10.805 0.042 1.00 0.00 C ATOM 1678 O4' G B 4 10.933 -9.429 0.165 1.00 0.00 O ATOM 1679 C3' G B 4 9.954 -11.575 -0.138 1.00 0.00 C ATOM 1680 O3' G B 4 9.396 -11.863 1.133 1.00 0.00 O ATOM 1681 C2' G B 4 9.122 -10.550 -0.892 1.00 0.00 C ATOM 1682 O2' G B 4 7.738 -10.716 -0.676 1.00 0.00 O ATOM 1683 C1' G B 4 9.602 -9.234 -0.289 1.00 0.00 C ATOM 1684 N9 G B 4 9.480 -8.121 -1.251 1.00 0.00 N ATOM 1685 C8 G B 4 8.750 -8.101 -2.407 1.00 0.00 C ATOM 1686 N7 G B 4 8.820 -6.980 -3.066 1.00 0.00 N ATOM 1687 C5 G B 4 9.646 -6.183 -2.279 1.00 0.00 C ATOM 1688 C6 G B 4 10.061 -4.831 -2.467 1.00 0.00 C ATOM 1689 O6 G B 4 9.774 -4.059 -3.378 1.00 0.00 O ATOM 1690 N1 G B 4 10.899 -4.398 -1.453 1.00 0.00 N ATOM 1691 C2 G B 4 11.257 -5.154 -0.363 1.00 0.00 C ATOM 1692 N2 G B 4 12.042 -4.567 0.539 1.00 0.00 N ATOM 1693 N3 G B 4 10.863 -6.418 -0.167 1.00 0.00 N ATOM 1694 C4 G B 4 10.064 -6.875 -1.167 1.00 0.00 C ATOM 0 H5' G B 4 13.131 -10.440 -0.976 1.00 0.00 H new ATOM 0 H5'' G B 4 12.513 -12.067 -1.183 1.00 0.00 H new ATOM 0 H4' G B 4 11.781 -11.167 0.930 1.00 0.00 H new ATOM 0 H3' G B 4 10.037 -12.535 -0.648 1.00 0.00 H new ATOM 0 H2' G B 4 9.245 -10.623 -1.973 1.00 0.00 H new ATOM 0 HO2' G B 4 7.422 -11.501 -1.170 1.00 0.00 H new ATOM 0 H1' G B 4 8.975 -8.948 0.555 1.00 0.00 H new ATOM 0 H8 G B 4 8.165 -8.944 -2.745 1.00 0.00 H new ATOM 0 H1 G B 4 11.276 -3.453 -1.520 1.00 0.00 H new ATOM 0 H21 G B 4 12.339 -5.081 1.368 1.00 0.00 H new ATOM 0 H22 G B 4 12.346 -3.603 0.400 1.00 0.00 H new ATOM 1706 P A B 5 8.743 -13.304 1.456 1.00 0.00 P ATOM 1707 OP1 A B 5 8.446 -13.353 2.906 1.00 0.00 O ATOM 1708 OP2 A B 5 9.620 -14.339 0.865 1.00 0.00 O ATOM 1709 O5' A B 5 7.340 -13.331 0.658 1.00 0.00 O ATOM 1710 C5' A B 5 6.172 -12.741 1.197 1.00 0.00 C ATOM 1711 C4' A B 5 4.983 -12.822 0.226 1.00 0.00 C ATOM 1712 O4' A B 5 5.349 -12.219 -1.002 1.00 0.00 O ATOM 1713 C3' A B 5 4.549 -14.247 -0.128 1.00 0.00 C ATOM 1714 O3' A B 5 3.230 -14.236 -0.655 1.00 0.00 O ATOM 1715 C2' A B 5 5.527 -14.566 -1.253 1.00 0.00 C ATOM 1716 O2' A B 5 5.080 -15.627 -2.075 1.00 0.00 O ATOM 1717 C1' A B 5 5.528 -13.227 -1.983 1.00 0.00 C ATOM 1718 N9 A B 5 6.757 -12.974 -2.757 1.00 0.00 N ATOM 1719 C8 A B 5 8.055 -13.269 -2.436 1.00 0.00 C ATOM 1720 N7 A B 5 8.919 -12.938 -3.357 1.00 0.00 N ATOM 1721 C5 A B 5 8.134 -12.352 -4.349 1.00 0.00 C ATOM 1722 C6 A B 5 8.428 -11.755 -5.591 1.00 0.00 C ATOM 1723 N6 A B 5 9.665 -11.651 -6.085 1.00 0.00 N ATOM 1724 N1 A B 5 7.417 -11.260 -6.318 1.00 0.00 N ATOM 1725 C2 A B 5 6.184 -11.339 -5.837 1.00 0.00 C ATOM 1726 N3 A B 5 5.773 -11.880 -4.699 1.00 0.00 N ATOM 1727 C4 A B 5 6.815 -12.371 -3.989 1.00 0.00 C ATOM 0 H5' A B 5 6.372 -11.697 1.438 1.00 0.00 H new ATOM 0 H5'' A B 5 5.912 -13.240 2.131 1.00 0.00 H new ATOM 0 H4' A B 5 4.160 -12.325 0.739 1.00 0.00 H new ATOM 0 H3' A B 5 4.552 -14.943 0.710 1.00 0.00 H new ATOM 0 H2' A B 5 6.507 -14.911 -0.924 1.00 0.00 H new ATOM 0 HO2' A B 5 4.112 -15.739 -1.967 1.00 0.00 H new ATOM 0 H1' A B 5 4.723 -13.232 -2.718 1.00 0.00 H new ATOM 0 H8 A B 5 8.339 -13.734 -1.504 1.00 0.00 H new ATOM 0 H61 A B 5 9.817 -11.208 -6.991 1.00 0.00 H new ATOM 0 H62 A B 5 10.458 -12.015 -5.556 1.00 0.00 H new ATOM 0 H2 A B 5 5.412 -10.905 -6.455 1.00 0.00 H new ATOM 1739 P U B 6 1.918 -14.155 0.280 1.00 0.00 P ATOM 1740 OP1 U B 6 2.183 -13.231 1.405 1.00 0.00 O ATOM 1741 OP2 U B 6 1.480 -15.541 0.564 1.00 0.00 O ATOM 1742 O5' U B 6 0.816 -13.476 -0.696 1.00 0.00 O ATOM 1743 C5' U B 6 0.720 -12.067 -0.844 1.00 0.00 C ATOM 1744 C4' U B 6 0.973 -11.623 -2.289 1.00 0.00 C ATOM 1745 O4' U B 6 1.046 -10.204 -2.395 1.00 0.00 O ATOM 1746 C3' U B 6 2.314 -12.149 -2.774 1.00 0.00 C ATOM 1747 O3' U B 6 2.240 -13.450 -3.324 1.00 0.00 O ATOM 1748 C2' U B 6 2.697 -11.126 -3.829 1.00 0.00 C ATOM 1749 O2' U B 6 2.121 -11.436 -5.082 1.00 0.00 O ATOM 1750 C1' U B 6 2.084 -9.838 -3.299 1.00 0.00 C ATOM 1751 N1 U B 6 3.098 -8.992 -2.627 1.00 0.00 N ATOM 1752 C2 U B 6 2.919 -7.615 -2.660 1.00 0.00 C ATOM 1753 O2 U B 6 1.987 -7.086 -3.260 1.00 0.00 O ATOM 1754 N3 U B 6 3.848 -6.847 -1.977 1.00 0.00 N ATOM 1755 C4 U B 6 4.938 -7.332 -1.277 1.00 0.00 C ATOM 1756 O4 U B 6 5.692 -6.567 -0.681 1.00 0.00 O ATOM 1757 C5 U B 6 5.071 -8.767 -1.333 1.00 0.00 C ATOM 1758 C6 U B 6 4.180 -9.533 -1.993 1.00 0.00 C ATOM 0 H5' U B 6 1.441 -11.583 -0.185 1.00 0.00 H new ATOM 0 H5'' U B 6 -0.270 -11.736 -0.531 1.00 0.00 H new ATOM 0 H4' U B 6 0.144 -12.011 -2.881 1.00 0.00 H new ATOM 0 H3' U B 6 3.036 -12.255 -1.965 1.00 0.00 H new ATOM 0 H2' U B 6 3.774 -11.079 -3.988 1.00 0.00 H new ATOM 0 HO2' U B 6 1.780 -12.355 -5.067 1.00 0.00 H new ATOM 0 HO3' U B 6 2.530 -14.105 -2.655 1.00 0.00 H new ATOM 0 H1' U B 6 1.685 -9.246 -4.122 1.00 0.00 H new ATOM 0 H3 U B 6 3.717 -5.836 -1.992 1.00 0.00 H new ATOM 0 H5 U B 6 5.905 -9.239 -0.834 1.00 0.00 H new ATOM 0 H6 U B 6 4.325 -10.603 -2.021 1.00 0.00 H new TER 1770 U B 6