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 180:sc= -0.545 USER MOD Set 1.2: B 6 U O3' : rot 178:sc= 1.59 USER MOD Set 2.1: A 89 HIS :FLIP no HD1:sc= -1.93 F(o=-3.5,f=-1.9) USER MOD Set 2.2: A 91 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 82 TYR OH : rot 166:sc= 1.16 USER MOD Set 3.2: B 3 G O2' : rot 100:sc= 0.121 USER MOD Set 4.1: A 29 ASN : amide:sc= 0.912 K(o=0.38,f=-0.45) USER MOD Set 4.2: A 78 MET CE :methyl 150:sc= -0.534 (180deg=-1.05) USER MOD Single : A 1 MET CE :methyl 164:sc= -0.0462 (180deg=-0.377) USER MOD Single : A 1 MET N :NH3+ -164:sc= 1.1 (180deg=0.698) USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ -163:sc= 1.21 (180deg=1.1) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 CYS SG : rot 81:sc= 1.2 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -0.56 X(o=-0.56,f=-0.13) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 CYS SG : rot -79:sc= -0.506 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 HIS : no HE2:sc= 0.732 K(o=0.73,f=-2.5!) USER MOD Single : A 44 HIS : no HD1:sc= -0.0783 X(o=-0.078,f=-0.11) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= 0.581 K(o=0.58,f=-0.18) USER MOD Single : A 54 SER OG : rot 68:sc= 0.333 USER MOD Single : A 63 SER OG : rot 180:sc= -0.0155 USER MOD Single : A 68 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0322) USER MOD Single : A 69 MET CE :methyl -177:sc= -0.315 (180deg=-0.33) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ -164:sc= 1.23 (180deg=0.651) USER MOD Single : A 77 SER OG : rot 43:sc= 0.0941 USER MOD Single : A 80 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 87 LYS NZ :NH3+ -176:sc= 0.885 (180deg=0.866) USER MOD Single : A 88 SER OG : rot 180:sc= 0.346 USER MOD Single : A 93 MET CE :methyl -158:sc= -0.0726 (180deg=-0.588) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 HIS : no HE2:sc= -0.0903 K(o=-0.09,f=-2.1) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : B 1 A O2' : rot -143:sc= 0.847 USER MOD Single : B 1 A O5' : rot 180:sc= 0 USER MOD Single : B 2 G O2' : rot 110:sc= 0.662 USER MOD Single : B 4 G O2' : rot -88:sc= 1.34 USER MOD Single : B 6 U O2' : rot 153:sc= 1.22 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.062 -15.428 14.516 1.00 0.00 N ATOM 2 CA MET A 1 -0.888 -16.584 13.616 1.00 0.00 C ATOM 3 C MET A 1 -0.941 -17.888 14.411 1.00 0.00 C ATOM 4 O MET A 1 -1.197 -17.864 15.613 1.00 0.00 O ATOM 5 CB MET A 1 0.420 -16.471 12.823 1.00 0.00 C ATOM 6 CG MET A 1 0.400 -15.248 11.905 1.00 0.00 C ATOM 7 SD MET A 1 1.900 -15.029 10.910 1.00 0.00 S ATOM 8 CE MET A 1 1.808 -16.511 9.873 1.00 0.00 C ATOM 0 H1 MET A 1 -1.294 -14.583 13.955 1.00 0.00 H new ATOM 0 H2 MET A 1 -1.834 -15.622 15.186 1.00 0.00 H new ATOM 0 H3 MET A 1 -0.181 -15.262 15.042 1.00 0.00 H new ATOM 0 HA MET A 1 -1.708 -16.589 12.898 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.262 -16.400 13.512 1.00 0.00 H new ATOM 0 HB3 MET A 1 0.569 -17.373 12.230 1.00 0.00 H new ATOM 0 HG2 MET A 1 -0.457 -15.326 11.235 1.00 0.00 H new ATOM 0 HG3 MET A 1 0.249 -14.356 12.513 1.00 0.00 H new ATOM 0 HE1 MET A 1 2.479 -16.401 9.021 1.00 0.00 H new ATOM 0 HE2 MET A 1 2.103 -17.383 10.457 1.00 0.00 H new ATOM 0 HE3 MET A 1 0.787 -16.642 9.516 1.00 0.00 H new ATOM 18 N MET A 2 -0.699 -19.022 13.740 1.00 0.00 N ATOM 19 CA MET A 2 -0.753 -20.360 14.328 1.00 0.00 C ATOM 20 C MET A 2 -2.079 -20.653 15.042 1.00 0.00 C ATOM 21 O MET A 2 -2.163 -21.604 15.819 1.00 0.00 O ATOM 22 CB MET A 2 0.451 -20.597 15.251 1.00 0.00 C ATOM 23 CG MET A 2 1.777 -20.640 14.486 1.00 0.00 C ATOM 24 SD MET A 2 2.369 -19.050 13.855 1.00 0.00 S ATOM 25 CE MET A 2 3.904 -19.603 13.070 1.00 0.00 C ATOM 0 H MET A 2 -0.455 -19.031 12.750 1.00 0.00 H new ATOM 0 HA MET A 2 -0.699 -21.069 13.501 1.00 0.00 H new ATOM 0 HB2 MET A 2 0.492 -19.805 15.999 1.00 0.00 H new ATOM 0 HB3 MET A 2 0.314 -21.536 15.787 1.00 0.00 H new ATOM 0 HG2 MET A 2 2.541 -21.057 15.142 1.00 0.00 H new ATOM 0 HG3 MET A 2 1.669 -21.326 13.646 1.00 0.00 H new ATOM 0 HE1 MET A 2 4.412 -18.749 12.622 1.00 0.00 H new ATOM 0 HE2 MET A 2 4.552 -20.058 13.819 1.00 0.00 H new ATOM 0 HE3 MET A 2 3.674 -20.335 12.296 1.00 0.00 H new ATOM 35 N LEU A 3 -3.118 -19.849 14.787 1.00 0.00 N ATOM 36 CA LEU A 3 -4.432 -20.041 15.389 1.00 0.00 C ATOM 37 C LEU A 3 -5.530 -19.450 14.500 1.00 0.00 C ATOM 38 O LEU A 3 -6.699 -19.807 14.643 1.00 0.00 O ATOM 39 CB LEU A 3 -4.427 -19.375 16.771 1.00 0.00 C ATOM 40 CG LEU A 3 -5.726 -19.589 17.557 1.00 0.00 C ATOM 41 CD1 LEU A 3 -6.009 -21.075 17.779 1.00 0.00 C ATOM 42 CD2 LEU A 3 -5.598 -18.907 18.918 1.00 0.00 C ATOM 0 H LEU A 3 -3.066 -19.049 14.157 1.00 0.00 H new ATOM 0 HA LEU A 3 -4.642 -21.106 15.493 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -3.592 -19.767 17.351 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -4.257 -18.305 16.650 1.00 0.00 H new ATOM 0 HG LEU A 3 -6.548 -19.164 16.980 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -6.937 -21.189 18.339 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -6.103 -21.575 16.815 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -5.189 -21.522 18.341 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -6.517 -19.053 19.486 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -4.761 -19.341 19.465 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -5.425 -17.840 18.776 1.00 0.00 H new ATOM 54 N GLY A 4 -5.164 -18.548 13.584 1.00 0.00 N ATOM 55 CA GLY A 4 -6.104 -17.927 12.664 1.00 0.00 C ATOM 56 C GLY A 4 -5.466 -16.736 11.950 1.00 0.00 C ATOM 57 O GLY A 4 -4.325 -16.378 12.248 1.00 0.00 O ATOM 0 H GLY A 4 -4.202 -18.231 13.465 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -6.437 -18.660 11.929 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -6.988 -17.597 13.209 1.00 0.00 H new ATOM 61 N PRO A 5 -6.195 -16.123 11.010 1.00 0.00 N ATOM 62 CA PRO A 5 -5.753 -14.955 10.268 1.00 0.00 C ATOM 63 C PRO A 5 -5.809 -13.703 11.142 1.00 0.00 C ATOM 64 O PRO A 5 -6.335 -13.732 12.253 1.00 0.00 O ATOM 65 CB PRO A 5 -6.730 -14.848 9.096 1.00 0.00 C ATOM 66 CG PRO A 5 -8.023 -15.415 9.677 1.00 0.00 C ATOM 67 CD PRO A 5 -7.524 -16.530 10.595 1.00 0.00 C ATOM 0 HA PRO A 5 -4.719 -15.045 9.934 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -6.854 -13.817 8.766 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -6.390 -15.420 8.233 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -8.584 -14.660 10.227 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -8.682 -15.798 8.898 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -8.183 -16.655 11.454 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -7.497 -17.486 10.072 1.00 0.00 H new ATOM 75 N GLU A 6 -5.261 -12.596 10.628 1.00 0.00 N ATOM 76 CA GLU A 6 -5.231 -11.318 11.332 1.00 0.00 C ATOM 77 C GLU A 6 -5.462 -10.155 10.364 1.00 0.00 C ATOM 78 O GLU A 6 -5.289 -8.996 10.737 1.00 0.00 O ATOM 79 CB GLU A 6 -3.887 -11.149 12.049 1.00 0.00 C ATOM 80 CG GLU A 6 -3.705 -12.195 13.150 1.00 0.00 C ATOM 81 CD GLU A 6 -2.399 -11.969 13.906 1.00 0.00 C ATOM 82 OE1 GLU A 6 -2.325 -10.969 14.655 1.00 0.00 O ATOM 83 OE2 GLU A 6 -1.481 -12.800 13.729 1.00 0.00 O ATOM 0 H GLU A 6 -4.825 -12.566 9.707 1.00 0.00 H new ATOM 0 HA GLU A 6 -6.034 -11.312 12.069 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -3.075 -11.234 11.327 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -3.827 -10.150 12.481 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -4.544 -12.148 13.844 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -3.709 -13.193 12.713 1.00 0.00 H new ATOM 90 N GLY A 7 -5.853 -10.457 9.122 1.00 0.00 N ATOM 91 CA GLY A 7 -6.098 -9.449 8.105 1.00 0.00 C ATOM 92 C GLY A 7 -6.632 -10.078 6.821 1.00 0.00 C ATOM 93 O GLY A 7 -6.764 -11.298 6.731 1.00 0.00 O ATOM 0 H GLY A 7 -6.007 -11.413 8.800 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -6.814 -8.717 8.480 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -5.174 -8.911 7.893 1.00 0.00 H new ATOM 97 N GLY A 8 -6.941 -9.241 5.826 1.00 0.00 N ATOM 98 CA GLY A 8 -7.472 -9.711 4.553 1.00 0.00 C ATOM 99 C GLY A 8 -8.994 -9.823 4.592 1.00 0.00 C ATOM 100 O GLY A 8 -9.569 -10.633 3.869 1.00 0.00 O ATOM 0 H GLY A 8 -6.830 -8.229 5.884 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -7.176 -9.026 3.758 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -7.040 -10.683 4.313 1.00 0.00 H new ATOM 104 N GLU A 9 -9.650 -9.016 5.431 1.00 0.00 N ATOM 105 CA GLU A 9 -11.081 -9.132 5.694 1.00 0.00 C ATOM 106 C GLU A 9 -11.814 -7.802 5.507 1.00 0.00 C ATOM 107 O GLU A 9 -12.882 -7.598 6.081 1.00 0.00 O ATOM 108 CB GLU A 9 -11.291 -9.676 7.108 1.00 0.00 C ATOM 109 CG GLU A 9 -10.687 -11.073 7.260 1.00 0.00 C ATOM 110 CD GLU A 9 -10.965 -11.636 8.652 1.00 0.00 C ATOM 111 OE1 GLU A 9 -10.152 -11.357 9.562 1.00 0.00 O ATOM 112 OE2 GLU A 9 -11.990 -12.341 8.799 1.00 0.00 O ATOM 0 H GLU A 9 -9.198 -8.261 5.948 1.00 0.00 H new ATOM 0 HA GLU A 9 -11.506 -9.825 4.968 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -10.836 -9.000 7.832 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -12.357 -9.712 7.332 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -11.104 -11.738 6.504 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -9.611 -11.030 7.089 1.00 0.00 H new ATOM 119 N GLY A 10 -11.247 -6.893 4.709 1.00 0.00 N ATOM 120 CA GLY A 10 -11.858 -5.603 4.429 1.00 0.00 C ATOM 121 C GLY A 10 -11.673 -5.212 2.967 1.00 0.00 C ATOM 122 O GLY A 10 -10.950 -5.872 2.221 1.00 0.00 O ATOM 0 H GLY A 10 -10.352 -7.036 4.242 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -12.921 -5.642 4.666 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -11.416 -4.841 5.071 1.00 0.00 H new ATOM 126 N PHE A 11 -12.337 -4.127 2.564 1.00 0.00 N ATOM 127 CA PHE A 11 -12.294 -3.610 1.203 1.00 0.00 C ATOM 128 C PHE A 11 -11.133 -2.633 1.059 1.00 0.00 C ATOM 129 O PHE A 11 -11.274 -1.551 0.491 1.00 0.00 O ATOM 130 CB PHE A 11 -13.627 -2.952 0.852 1.00 0.00 C ATOM 131 CG PHE A 11 -14.843 -3.800 1.156 1.00 0.00 C ATOM 132 CD1 PHE A 11 -14.768 -5.199 1.099 1.00 0.00 C ATOM 133 CD2 PHE A 11 -16.054 -3.181 1.498 1.00 0.00 C ATOM 134 CE1 PHE A 11 -15.900 -5.976 1.379 1.00 0.00 C ATOM 135 CE2 PHE A 11 -17.185 -3.960 1.782 1.00 0.00 C ATOM 136 CZ PHE A 11 -17.109 -5.357 1.722 1.00 0.00 C ATOM 0 H PHE A 11 -12.928 -3.577 3.187 1.00 0.00 H new ATOM 0 HA PHE A 11 -12.133 -4.431 0.504 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -13.709 -2.012 1.398 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -13.628 -2.705 -0.210 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -13.836 -5.679 0.839 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -16.116 -2.104 1.543 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -15.840 -7.053 1.330 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -18.116 -3.482 2.047 1.00 0.00 H new ATOM 0 HZ PHE A 11 -17.981 -5.956 1.940 1.00 0.00 H new ATOM 146 N VAL A 12 -9.976 -3.032 1.586 1.00 0.00 N ATOM 147 CA VAL A 12 -8.768 -2.227 1.576 1.00 0.00 C ATOM 148 C VAL A 12 -7.638 -3.103 1.058 1.00 0.00 C ATOM 149 O VAL A 12 -7.664 -4.320 1.246 1.00 0.00 O ATOM 150 CB VAL A 12 -8.473 -1.728 2.998 1.00 0.00 C ATOM 151 CG1 VAL A 12 -7.197 -0.889 3.048 1.00 0.00 C ATOM 152 CG2 VAL A 12 -9.628 -0.873 3.522 1.00 0.00 C ATOM 0 H VAL A 12 -9.856 -3.939 2.038 1.00 0.00 H new ATOM 0 HA VAL A 12 -8.880 -1.353 0.934 1.00 0.00 H new ATOM 0 HB VAL A 12 -8.346 -2.614 3.621 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -7.022 -0.554 4.070 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -6.352 -1.491 2.713 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -7.306 -0.022 2.396 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -9.398 -0.530 4.531 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -9.768 -0.012 2.869 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -10.542 -1.467 3.540 1.00 0.00 H new ATOM 162 N VAL A 13 -6.647 -2.494 0.406 1.00 0.00 N ATOM 163 CA VAL A 13 -5.505 -3.241 -0.103 1.00 0.00 C ATOM 164 C VAL A 13 -4.200 -2.501 0.144 1.00 0.00 C ATOM 165 O VAL A 13 -4.176 -1.281 0.303 1.00 0.00 O ATOM 166 CB VAL A 13 -5.661 -3.540 -1.599 1.00 0.00 C ATOM 167 CG1 VAL A 13 -6.870 -4.439 -1.845 1.00 0.00 C ATOM 168 CG2 VAL A 13 -5.814 -2.264 -2.430 1.00 0.00 C ATOM 0 H VAL A 13 -6.615 -1.492 0.221 1.00 0.00 H new ATOM 0 HA VAL A 13 -5.473 -4.185 0.441 1.00 0.00 H new ATOM 0 HB VAL A 13 -4.749 -4.048 -1.912 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -6.963 -4.639 -2.912 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -6.739 -5.379 -1.309 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -7.772 -3.941 -1.489 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -5.921 -2.526 -3.483 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -6.698 -1.719 -2.100 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -4.932 -1.637 -2.300 1.00 0.00 H new ATOM 178 N LYS A 14 -3.106 -3.265 0.174 1.00 0.00 N ATOM 179 CA LYS A 14 -1.760 -2.736 0.309 1.00 0.00 C ATOM 180 C LYS A 14 -1.227 -2.398 -1.078 1.00 0.00 C ATOM 181 O LYS A 14 -1.718 -2.926 -2.074 1.00 0.00 O ATOM 182 CB LYS A 14 -0.850 -3.778 0.968 1.00 0.00 C ATOM 183 CG LYS A 14 -1.560 -4.513 2.107 1.00 0.00 C ATOM 184 CD LYS A 14 -0.570 -5.384 2.881 1.00 0.00 C ATOM 185 CE LYS A 14 -1.341 -6.319 3.812 1.00 0.00 C ATOM 186 NZ LYS A 14 -0.434 -7.016 4.742 1.00 0.00 N ATOM 0 H LYS A 14 -3.138 -4.282 0.104 1.00 0.00 H new ATOM 0 HA LYS A 14 -1.778 -1.842 0.932 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -0.521 -4.499 0.219 1.00 0.00 H new ATOM 0 HB3 LYS A 14 0.044 -3.288 1.353 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -2.023 -3.792 2.781 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -2.361 -5.133 1.704 1.00 0.00 H new ATOM 0 HD2 LYS A 14 0.041 -5.964 2.189 1.00 0.00 H new ATOM 0 HD3 LYS A 14 0.110 -4.757 3.458 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -2.076 -5.747 4.378 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -1.892 -7.051 3.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -0.923 -7.836 5.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 0.410 -7.339 4.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -0.149 -6.365 5.502 1.00 0.00 H new ATOM 200 N LEU A 15 -0.226 -1.521 -1.142 1.00 0.00 N ATOM 201 CA LEU A 15 0.414 -1.131 -2.379 1.00 0.00 C ATOM 202 C LEU A 15 1.907 -1.007 -2.104 1.00 0.00 C ATOM 203 O LEU A 15 2.303 -0.409 -1.105 1.00 0.00 O ATOM 204 CB LEU A 15 -0.189 0.211 -2.790 1.00 0.00 C ATOM 205 CG LEU A 15 -0.198 0.481 -4.293 1.00 0.00 C ATOM 206 CD1 LEU A 15 1.162 0.266 -4.950 1.00 0.00 C ATOM 207 CD2 LEU A 15 -1.230 -0.410 -4.983 1.00 0.00 C ATOM 0 H LEU A 15 0.162 -1.060 -0.319 1.00 0.00 H new ATOM 0 HA LEU A 15 0.264 -1.853 -3.181 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -1.213 0.260 -2.421 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.366 1.008 -2.296 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.457 1.533 -4.412 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.087 0.474 -6.017 1.00 0.00 H new ATOM 0 HD12 LEU A 15 1.894 0.937 -4.500 1.00 0.00 H new ATOM 0 HD13 LEU A 15 1.478 -0.767 -4.803 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.227 -0.208 -6.054 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.980 -1.457 -4.810 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -2.220 -0.201 -4.577 1.00 0.00 H new ATOM 219 N ARG A 16 2.737 -1.568 -2.985 1.00 0.00 N ATOM 220 CA ARG A 16 4.181 -1.565 -2.809 1.00 0.00 C ATOM 221 C ARG A 16 4.868 -1.450 -4.162 1.00 0.00 C ATOM 222 O ARG A 16 4.368 -1.978 -5.154 1.00 0.00 O ATOM 223 CB ARG A 16 4.626 -2.870 -2.141 1.00 0.00 C ATOM 224 CG ARG A 16 3.864 -3.157 -0.847 1.00 0.00 C ATOM 225 CD ARG A 16 4.516 -4.327 -0.118 1.00 0.00 C ATOM 226 NE ARG A 16 3.871 -4.565 1.179 1.00 0.00 N ATOM 227 CZ ARG A 16 3.983 -5.705 1.863 1.00 0.00 C ATOM 228 NH1 ARG A 16 4.692 -6.714 1.370 1.00 0.00 N ATOM 229 NH2 ARG A 16 3.384 -5.843 3.043 1.00 0.00 N ATOM 0 H ARG A 16 2.424 -2.034 -3.836 1.00 0.00 H new ATOM 0 HA ARG A 16 4.455 -0.716 -2.183 1.00 0.00 H new ATOM 0 HB2 ARG A 16 4.480 -3.697 -2.835 1.00 0.00 H new ATOM 0 HB3 ARG A 16 5.693 -2.818 -1.926 1.00 0.00 H new ATOM 0 HG2 ARG A 16 3.864 -2.273 -0.210 1.00 0.00 H new ATOM 0 HG3 ARG A 16 2.823 -3.389 -1.070 1.00 0.00 H new ATOM 0 HD2 ARG A 16 4.449 -5.225 -0.732 1.00 0.00 H new ATOM 0 HD3 ARG A 16 5.576 -4.122 0.031 1.00 0.00 H new ATOM 0 HE ARG A 16 3.305 -3.817 1.580 1.00 0.00 H new ATOM 0 HH11 ARG A 16 5.153 -6.619 0.465 1.00 0.00 H new ATOM 0 HH12 ARG A 16 4.775 -7.584 1.896 1.00 0.00 H new ATOM 0 HH21 ARG A 16 2.835 -5.075 3.429 1.00 0.00 H new ATOM 0 HH22 ARG A 16 3.473 -6.717 3.561 1.00 0.00 H new ATOM 243 N GLY A 17 6.011 -0.762 -4.211 1.00 0.00 N ATOM 244 CA GLY A 17 6.811 -0.718 -5.422 1.00 0.00 C ATOM 245 C GLY A 17 7.389 0.653 -5.738 1.00 0.00 C ATOM 246 O GLY A 17 7.266 1.594 -4.955 1.00 0.00 O ATOM 0 H GLY A 17 6.396 -0.233 -3.428 1.00 0.00 H new ATOM 0 HA2 GLY A 17 7.629 -1.432 -5.330 1.00 0.00 H new ATOM 0 HA3 GLY A 17 6.197 -1.043 -6.262 1.00 0.00 H new ATOM 250 N LEU A 18 8.022 0.729 -6.915 1.00 0.00 N ATOM 251 CA LEU A 18 8.675 1.925 -7.444 1.00 0.00 C ATOM 252 C LEU A 18 9.851 2.409 -6.583 1.00 0.00 C ATOM 253 O LEU A 18 9.995 1.970 -5.446 1.00 0.00 O ATOM 254 CB LEU A 18 7.620 3.018 -7.667 1.00 0.00 C ATOM 255 CG LEU A 18 6.525 2.561 -8.634 1.00 0.00 C ATOM 256 CD1 LEU A 18 5.687 3.768 -9.045 1.00 0.00 C ATOM 257 CD2 LEU A 18 7.145 1.923 -9.875 1.00 0.00 C ATOM 0 H LEU A 18 8.094 -0.070 -7.545 1.00 0.00 H new ATOM 0 HA LEU A 18 9.128 1.668 -8.401 1.00 0.00 H new ATOM 0 HB2 LEU A 18 7.171 3.290 -6.712 1.00 0.00 H new ATOM 0 HB3 LEU A 18 8.102 3.913 -8.060 1.00 0.00 H new ATOM 0 HG LEU A 18 5.895 1.822 -8.139 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.905 3.450 -9.734 1.00 0.00 H new ATOM 0 HD12 LEU A 18 5.232 4.213 -8.160 1.00 0.00 H new ATOM 0 HD13 LEU A 18 6.325 4.504 -9.535 1.00 0.00 H new ATOM 0 HD21 LEU A 18 6.354 1.603 -10.553 1.00 0.00 H new ATOM 0 HD22 LEU A 18 7.782 2.650 -10.378 1.00 0.00 H new ATOM 0 HD23 LEU A 18 7.742 1.060 -9.581 1.00 0.00 H new ATOM 269 N PRO A 19 10.691 3.312 -7.126 1.00 0.00 N ATOM 270 CA PRO A 19 11.806 3.998 -6.468 1.00 0.00 C ATOM 271 C PRO A 19 11.495 4.701 -5.138 1.00 0.00 C ATOM 272 O PRO A 19 11.671 5.913 -5.022 1.00 0.00 O ATOM 273 CB PRO A 19 12.354 4.985 -7.503 1.00 0.00 C ATOM 274 CG PRO A 19 11.989 4.331 -8.829 1.00 0.00 C ATOM 275 CD PRO A 19 10.621 3.741 -8.513 1.00 0.00 C ATOM 0 HA PRO A 19 12.528 3.242 -6.159 1.00 0.00 H new ATOM 0 HB2 PRO A 19 11.900 5.970 -7.401 1.00 0.00 H new ATOM 0 HB3 PRO A 19 13.431 5.119 -7.402 1.00 0.00 H new ATOM 0 HG2 PRO A 19 11.945 5.054 -9.644 1.00 0.00 H new ATOM 0 HG3 PRO A 19 12.708 3.565 -9.120 1.00 0.00 H new ATOM 0 HD2 PRO A 19 9.833 4.480 -8.655 1.00 0.00 H new ATOM 0 HD3 PRO A 19 10.394 2.903 -9.172 1.00 0.00 H new ATOM 283 N TRP A 20 11.035 3.949 -4.134 1.00 0.00 N ATOM 284 CA TRP A 20 10.791 4.417 -2.774 1.00 0.00 C ATOM 285 C TRP A 20 9.788 5.573 -2.674 1.00 0.00 C ATOM 286 O TRP A 20 9.639 6.154 -1.601 1.00 0.00 O ATOM 287 CB TRP A 20 12.125 4.764 -2.101 1.00 0.00 C ATOM 288 CG TRP A 20 13.317 4.034 -2.640 1.00 0.00 C ATOM 289 CD1 TRP A 20 14.139 4.516 -3.598 1.00 0.00 C ATOM 290 CD2 TRP A 20 13.848 2.714 -2.296 1.00 0.00 C ATOM 291 NE1 TRP A 20 15.088 3.577 -3.923 1.00 0.00 N ATOM 292 CE2 TRP A 20 14.938 2.434 -3.170 1.00 0.00 C ATOM 293 CE3 TRP A 20 13.533 1.725 -1.341 1.00 0.00 C ATOM 294 CZ2 TRP A 20 15.629 1.223 -3.151 1.00 0.00 C ATOM 295 CZ3 TRP A 20 14.263 0.526 -1.281 1.00 0.00 C ATOM 296 CH2 TRP A 20 15.279 0.263 -2.198 1.00 0.00 C ATOM 0 H TRP A 20 10.815 2.960 -4.255 1.00 0.00 H new ATOM 0 HA TRP A 20 10.314 3.595 -2.240 1.00 0.00 H new ATOM 0 HB2 TRP A 20 12.298 5.835 -2.203 1.00 0.00 H new ATOM 0 HB3 TRP A 20 12.042 4.555 -1.035 1.00 0.00 H new ATOM 0 HD1 TRP A 20 14.061 5.497 -4.044 1.00 0.00 H new ATOM 0 HE1 TRP A 20 15.810 3.710 -4.631 1.00 0.00 H new ATOM 0 HE3 TRP A 20 12.721 1.891 -0.648 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 16.420 1.031 -3.860 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 14.034 -0.200 -0.515 1.00 0.00 H new ATOM 0 HH2 TRP A 20 15.797 -0.684 -2.172 1.00 0.00 H new ATOM 307 N SER A 21 9.101 5.914 -3.771 1.00 0.00 N ATOM 308 CA SER A 21 8.088 6.962 -3.763 1.00 0.00 C ATOM 309 C SER A 21 7.122 6.809 -4.937 1.00 0.00 C ATOM 310 O SER A 21 7.439 6.167 -5.939 1.00 0.00 O ATOM 311 CB SER A 21 8.763 8.333 -3.826 1.00 0.00 C ATOM 312 OG SER A 21 9.476 8.477 -5.037 1.00 0.00 O ATOM 0 H SER A 21 9.234 5.471 -4.680 1.00 0.00 H new ATOM 0 HA SER A 21 7.516 6.874 -2.839 1.00 0.00 H new ATOM 0 HB2 SER A 21 8.012 9.119 -3.743 1.00 0.00 H new ATOM 0 HB3 SER A 21 9.442 8.450 -2.981 1.00 0.00 H new ATOM 0 HG SER A 21 9.901 9.360 -5.063 1.00 0.00 H new ATOM 318 N CYS A 22 5.935 7.408 -4.799 1.00 0.00 N ATOM 319 CA CYS A 22 4.885 7.402 -5.800 1.00 0.00 C ATOM 320 C CYS A 22 3.863 8.498 -5.474 1.00 0.00 C ATOM 321 O CYS A 22 4.067 9.273 -4.539 1.00 0.00 O ATOM 322 CB CYS A 22 4.227 6.024 -5.798 1.00 0.00 C ATOM 323 SG CYS A 22 3.774 5.546 -4.109 1.00 0.00 S ATOM 0 H CYS A 22 5.679 7.925 -3.958 1.00 0.00 H new ATOM 0 HA CYS A 22 5.294 7.603 -6.790 1.00 0.00 H new ATOM 0 HB2 CYS A 22 3.339 6.036 -6.430 1.00 0.00 H new ATOM 0 HB3 CYS A 22 4.909 5.287 -6.221 1.00 0.00 H new ATOM 0 HG CYS A 22 2.654 6.119 -3.781 1.00 0.00 H new ATOM 329 N SER A 23 2.764 8.572 -6.234 1.00 0.00 N ATOM 330 CA SER A 23 1.707 9.550 -5.998 1.00 0.00 C ATOM 331 C SER A 23 0.332 8.936 -6.240 1.00 0.00 C ATOM 332 O SER A 23 0.218 7.847 -6.804 1.00 0.00 O ATOM 333 CB SER A 23 1.905 10.767 -6.901 1.00 0.00 C ATOM 334 OG SER A 23 1.726 10.399 -8.253 1.00 0.00 O ATOM 0 H SER A 23 2.587 7.955 -7.027 1.00 0.00 H new ATOM 0 HA SER A 23 1.761 9.866 -4.956 1.00 0.00 H new ATOM 0 HB2 SER A 23 1.196 11.550 -6.631 1.00 0.00 H new ATOM 0 HB3 SER A 23 2.904 11.179 -6.757 1.00 0.00 H new ATOM 0 HG SER A 23 1.853 11.184 -8.825 1.00 0.00 H new ATOM 340 N VAL A 24 -0.720 9.640 -5.808 1.00 0.00 N ATOM 341 CA VAL A 24 -2.082 9.125 -5.890 1.00 0.00 C ATOM 342 C VAL A 24 -2.539 8.963 -7.337 1.00 0.00 C ATOM 343 O VAL A 24 -3.478 8.213 -7.597 1.00 0.00 O ATOM 344 CB VAL A 24 -3.070 9.982 -5.077 1.00 0.00 C ATOM 345 CG1 VAL A 24 -2.377 11.040 -4.217 1.00 0.00 C ATOM 346 CG2 VAL A 24 -4.127 10.687 -5.919 1.00 0.00 C ATOM 0 H VAL A 24 -0.649 10.571 -5.397 1.00 0.00 H new ATOM 0 HA VAL A 24 -2.073 8.132 -5.440 1.00 0.00 H new ATOM 0 HB VAL A 24 -3.563 9.247 -4.440 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -3.126 11.611 -3.669 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -1.705 10.552 -3.511 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -1.806 11.712 -4.857 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -4.781 11.268 -5.269 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -3.640 11.352 -6.632 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -4.717 9.946 -6.458 1.00 0.00 H new ATOM 356 N GLU A 25 -1.894 9.653 -8.281 1.00 0.00 N ATOM 357 CA GLU A 25 -2.288 9.591 -9.679 1.00 0.00 C ATOM 358 C GLU A 25 -1.732 8.347 -10.367 1.00 0.00 C ATOM 359 O GLU A 25 -2.322 7.878 -11.337 1.00 0.00 O ATOM 360 CB GLU A 25 -1.783 10.838 -10.404 1.00 0.00 C ATOM 361 CG GLU A 25 -2.447 12.097 -9.842 1.00 0.00 C ATOM 362 CD GLU A 25 -1.984 13.339 -10.598 1.00 0.00 C ATOM 363 OE1 GLU A 25 -2.629 13.672 -11.618 1.00 0.00 O ATOM 364 OE2 GLU A 25 -0.987 13.951 -10.151 1.00 0.00 O ATOM 0 H GLU A 25 -1.096 10.260 -8.096 1.00 0.00 H new ATOM 0 HA GLU A 25 -3.376 9.542 -9.720 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -0.701 10.913 -10.298 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -1.993 10.755 -11.470 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -3.531 12.005 -9.914 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -2.206 12.199 -8.784 1.00 0.00 H new ATOM 371 N ASP A 26 -0.610 7.806 -9.883 1.00 0.00 N ATOM 372 CA ASP A 26 -0.024 6.621 -10.490 1.00 0.00 C ATOM 373 C ASP A 26 -0.715 5.363 -9.972 1.00 0.00 C ATOM 374 O ASP A 26 -0.894 4.404 -10.720 1.00 0.00 O ATOM 375 CB ASP A 26 1.469 6.554 -10.164 1.00 0.00 C ATOM 376 CG ASP A 26 2.256 7.698 -10.804 1.00 0.00 C ATOM 377 OD1 ASP A 26 1.887 8.107 -11.927 1.00 0.00 O ATOM 378 OD2 ASP A 26 3.226 8.156 -10.159 1.00 0.00 O ATOM 0 H ASP A 26 -0.098 8.170 -9.080 1.00 0.00 H new ATOM 0 HA ASP A 26 -0.158 6.681 -11.570 1.00 0.00 H new ATOM 0 HB2 ASP A 26 1.604 6.584 -9.083 1.00 0.00 H new ATOM 0 HB3 ASP A 26 1.871 5.602 -10.509 1.00 0.00 H new ATOM 383 N VAL A 27 -1.106 5.362 -8.695 1.00 0.00 N ATOM 384 CA VAL A 27 -1.772 4.213 -8.100 1.00 0.00 C ATOM 385 C VAL A 27 -3.191 4.054 -8.644 1.00 0.00 C ATOM 386 O VAL A 27 -3.658 2.929 -8.804 1.00 0.00 O ATOM 387 CB VAL A 27 -1.756 4.351 -6.574 1.00 0.00 C ATOM 388 CG1 VAL A 27 -2.570 5.551 -6.103 1.00 0.00 C ATOM 389 CG2 VAL A 27 -2.300 3.095 -5.901 1.00 0.00 C ATOM 0 H VAL A 27 -0.970 6.147 -8.058 1.00 0.00 H new ATOM 0 HA VAL A 27 -1.233 3.305 -8.370 1.00 0.00 H new ATOM 0 HB VAL A 27 -0.714 4.497 -6.290 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -2.532 5.612 -5.015 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -2.155 6.463 -6.532 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -3.605 5.437 -6.424 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.276 3.223 -4.819 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -3.327 2.925 -6.224 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -1.686 2.238 -6.179 1.00 0.00 H new ATOM 399 N GLN A 28 -3.890 5.157 -8.934 1.00 0.00 N ATOM 400 CA GLN A 28 -5.225 5.064 -9.507 1.00 0.00 C ATOM 401 C GLN A 28 -5.157 4.739 -10.998 1.00 0.00 C ATOM 402 O GLN A 28 -6.100 4.171 -11.548 1.00 0.00 O ATOM 403 CB GLN A 28 -5.999 6.356 -9.249 1.00 0.00 C ATOM 404 CG GLN A 28 -5.379 7.562 -9.954 1.00 0.00 C ATOM 405 CD GLN A 28 -6.107 8.849 -9.580 1.00 0.00 C ATOM 406 OE1 GLN A 28 -6.491 9.625 -10.450 1.00 0.00 O ATOM 407 NE2 GLN A 28 -6.305 9.091 -8.286 1.00 0.00 N ATOM 0 H GLN A 28 -3.555 6.108 -8.782 1.00 0.00 H new ATOM 0 HA GLN A 28 -5.759 4.247 -9.022 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -7.028 6.232 -9.586 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -6.035 6.546 -8.176 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -4.326 7.644 -9.684 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -5.420 7.417 -11.034 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -5.974 8.427 -7.586 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -6.788 9.941 -7.994 1.00 0.00 H new ATOM 416 N ASN A 29 -4.050 5.096 -11.658 1.00 0.00 N ATOM 417 CA ASN A 29 -3.808 4.691 -13.034 1.00 0.00 C ATOM 418 C ASN A 29 -3.552 3.183 -13.095 1.00 0.00 C ATOM 419 O ASN A 29 -3.776 2.556 -14.130 1.00 0.00 O ATOM 420 CB ASN A 29 -2.607 5.483 -13.573 1.00 0.00 C ATOM 421 CG ASN A 29 -1.587 4.600 -14.279 1.00 0.00 C ATOM 422 OD1 ASN A 29 -1.604 4.464 -15.499 1.00 0.00 O ATOM 423 ND2 ASN A 29 -0.691 3.996 -13.502 1.00 0.00 N ATOM 0 H ASN A 29 -3.308 5.667 -11.253 1.00 0.00 H new ATOM 0 HA ASN A 29 -4.680 4.904 -13.653 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -2.962 6.246 -14.266 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -2.121 6.004 -12.748 1.00 0.00 H new ATOM 0 HD21 ASN A 29 0.019 3.392 -13.916 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -0.714 4.137 -12.492 1.00 0.00 H new ATOM 430 N PHE A 30 -3.084 2.605 -11.986 1.00 0.00 N ATOM 431 CA PHE A 30 -2.746 1.194 -11.908 1.00 0.00 C ATOM 432 C PHE A 30 -3.918 0.358 -11.386 1.00 0.00 C ATOM 433 O PHE A 30 -3.968 -0.850 -11.617 1.00 0.00 O ATOM 434 CB PHE A 30 -1.514 1.079 -11.015 1.00 0.00 C ATOM 435 CG PHE A 30 -0.971 -0.320 -10.875 1.00 0.00 C ATOM 436 CD1 PHE A 30 -0.178 -0.871 -11.889 1.00 0.00 C ATOM 437 CD2 PHE A 30 -1.260 -1.064 -9.727 1.00 0.00 C ATOM 438 CE1 PHE A 30 0.314 -2.175 -11.755 1.00 0.00 C ATOM 439 CE2 PHE A 30 -0.798 -2.378 -9.606 1.00 0.00 C ATOM 440 CZ PHE A 30 -0.003 -2.933 -10.619 1.00 0.00 C ATOM 0 H PHE A 30 -2.930 3.112 -11.114 1.00 0.00 H new ATOM 0 HA PHE A 30 -2.529 0.796 -12.900 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -0.730 1.721 -11.416 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -1.762 1.459 -10.024 1.00 0.00 H new ATOM 0 HD1 PHE A 30 0.053 -0.292 -12.771 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -1.842 -0.622 -8.931 1.00 0.00 H new ATOM 0 HE1 PHE A 30 0.939 -2.598 -12.528 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -1.053 -2.964 -8.735 1.00 0.00 H new ATOM 0 HZ PHE A 30 0.365 -3.944 -10.524 1.00 0.00 H new ATOM 450 N LEU A 31 -4.861 0.993 -10.685 1.00 0.00 N ATOM 451 CA LEU A 31 -6.111 0.384 -10.244 1.00 0.00 C ATOM 452 C LEU A 31 -7.241 1.006 -11.070 1.00 0.00 C ATOM 453 O LEU A 31 -8.229 1.499 -10.529 1.00 0.00 O ATOM 454 CB LEU A 31 -6.316 0.602 -8.739 1.00 0.00 C ATOM 455 CG LEU A 31 -5.596 -0.417 -7.846 1.00 0.00 C ATOM 456 CD1 LEU A 31 -4.111 -0.536 -8.148 1.00 0.00 C ATOM 457 CD2 LEU A 31 -5.761 0.031 -6.398 1.00 0.00 C ATOM 0 H LEU A 31 -4.771 1.969 -10.403 1.00 0.00 H new ATOM 0 HA LEU A 31 -6.095 -0.695 -10.400 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.970 1.603 -8.479 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -7.383 0.567 -8.521 1.00 0.00 H new ATOM 0 HG LEU A 31 -6.040 -1.395 -8.034 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.662 -1.273 -7.482 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.974 -0.851 -9.182 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.630 0.431 -7.997 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -5.258 -0.676 -5.739 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.322 1.021 -6.271 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -6.821 0.070 -6.148 1.00 0.00 H new ATOM 469 N SER A 32 -7.073 0.970 -12.395 1.00 0.00 N ATOM 470 CA SER A 32 -7.941 1.606 -13.381 1.00 0.00 C ATOM 471 C SER A 32 -9.382 1.081 -13.409 1.00 0.00 C ATOM 472 O SER A 32 -10.144 1.455 -14.298 1.00 0.00 O ATOM 473 CB SER A 32 -7.296 1.449 -14.757 1.00 0.00 C ATOM 474 OG SER A 32 -7.135 0.080 -15.066 1.00 0.00 O ATOM 0 H SER A 32 -6.293 0.474 -12.825 1.00 0.00 H new ATOM 0 HA SER A 32 -8.033 2.653 -13.092 1.00 0.00 H new ATOM 0 HB2 SER A 32 -7.915 1.930 -15.514 1.00 0.00 H new ATOM 0 HB3 SER A 32 -6.328 1.949 -14.772 1.00 0.00 H new ATOM 0 HG SER A 32 -6.722 -0.009 -15.950 1.00 0.00 H new ATOM 480 N ASP A 33 -9.764 0.229 -12.455 1.00 0.00 N ATOM 481 CA ASP A 33 -11.120 -0.305 -12.370 1.00 0.00 C ATOM 482 C ASP A 33 -11.690 -0.141 -10.959 1.00 0.00 C ATOM 483 O ASP A 33 -12.833 -0.515 -10.705 1.00 0.00 O ATOM 484 CB ASP A 33 -11.121 -1.784 -12.766 1.00 0.00 C ATOM 485 CG ASP A 33 -10.578 -2.001 -14.176 1.00 0.00 C ATOM 486 OD1 ASP A 33 -11.305 -1.657 -15.134 1.00 0.00 O ATOM 487 OD2 ASP A 33 -9.440 -2.511 -14.284 1.00 0.00 O ATOM 0 H ASP A 33 -9.141 -0.108 -11.721 1.00 0.00 H new ATOM 0 HA ASP A 33 -11.752 0.256 -13.058 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -10.519 -2.350 -12.055 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -12.137 -2.175 -12.705 1.00 0.00 H new ATOM 492 N CYS A 34 -10.894 0.417 -10.043 1.00 0.00 N ATOM 493 CA CYS A 34 -11.279 0.608 -8.653 1.00 0.00 C ATOM 494 C CYS A 34 -11.978 1.956 -8.465 1.00 0.00 C ATOM 495 O CYS A 34 -12.195 2.695 -9.424 1.00 0.00 O ATOM 496 CB CYS A 34 -10.013 0.530 -7.800 1.00 0.00 C ATOM 497 SG CYS A 34 -9.379 -1.168 -7.865 1.00 0.00 S ATOM 0 H CYS A 34 -9.954 0.751 -10.254 1.00 0.00 H new ATOM 0 HA CYS A 34 -11.984 -0.166 -8.349 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -9.263 1.229 -8.171 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -10.232 0.813 -6.771 1.00 0.00 H new ATOM 0 HG CYS A 34 -10.068 -1.920 -7.059 1.00 0.00 H new ATOM 503 N THR A 35 -12.327 2.269 -7.214 1.00 0.00 N ATOM 504 CA THR A 35 -13.011 3.510 -6.861 1.00 0.00 C ATOM 505 C THR A 35 -12.230 4.298 -5.816 1.00 0.00 C ATOM 506 O THR A 35 -12.474 5.484 -5.605 1.00 0.00 O ATOM 507 CB THR A 35 -14.430 3.162 -6.396 1.00 0.00 C ATOM 508 OG1 THR A 35 -15.235 2.883 -7.520 1.00 0.00 O ATOM 509 CG2 THR A 35 -15.069 4.289 -5.592 1.00 0.00 C ATOM 0 H THR A 35 -12.141 1.663 -6.415 1.00 0.00 H new ATOM 0 HA THR A 35 -13.075 4.162 -7.732 1.00 0.00 H new ATOM 0 HB THR A 35 -14.357 2.290 -5.746 1.00 0.00 H new ATOM 0 HG1 THR A 35 -16.142 2.659 -7.225 1.00 0.00 H new ATOM 0 HG21 THR A 35 -16.073 3.994 -5.286 1.00 0.00 H new ATOM 0 HG22 THR A 35 -14.465 4.493 -4.708 1.00 0.00 H new ATOM 0 HG23 THR A 35 -15.127 5.187 -6.207 1.00 0.00 H new ATOM 517 N ILE A 36 -11.284 3.624 -5.165 1.00 0.00 N ATOM 518 CA ILE A 36 -10.336 4.222 -4.231 1.00 0.00 C ATOM 519 C ILE A 36 -11.047 5.012 -3.127 1.00 0.00 C ATOM 520 O ILE A 36 -10.491 5.942 -2.549 1.00 0.00 O ATOM 521 CB ILE A 36 -9.314 5.016 -5.051 1.00 0.00 C ATOM 522 CG1 ILE A 36 -8.604 4.058 -6.015 1.00 0.00 C ATOM 523 CG2 ILE A 36 -8.250 5.696 -4.187 1.00 0.00 C ATOM 524 CD1 ILE A 36 -8.369 4.769 -7.340 1.00 0.00 C ATOM 0 H ILE A 36 -11.153 2.619 -5.277 1.00 0.00 H new ATOM 0 HA ILE A 36 -9.790 3.460 -3.675 1.00 0.00 H new ATOM 0 HB ILE A 36 -9.863 5.797 -5.578 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -7.655 3.732 -5.590 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -9.208 3.164 -6.170 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -7.556 6.242 -4.827 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -8.730 6.390 -3.497 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -7.704 4.941 -3.621 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -7.864 4.094 -8.031 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -9.326 5.074 -7.764 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -7.748 5.650 -7.175 1.00 0.00 H new ATOM 536 N HIS A 37 -12.293 4.626 -2.840 1.00 0.00 N ATOM 537 CA HIS A 37 -13.152 5.218 -1.820 1.00 0.00 C ATOM 538 C HIS A 37 -13.484 6.698 -2.058 1.00 0.00 C ATOM 539 O HIS A 37 -14.461 7.199 -1.502 1.00 0.00 O ATOM 540 CB HIS A 37 -12.516 4.972 -0.452 1.00 0.00 C ATOM 541 CG HIS A 37 -13.489 5.075 0.692 1.00 0.00 C ATOM 542 ND1 HIS A 37 -14.112 4.023 1.322 1.00 0.00 N ATOM 543 CD2 HIS A 37 -13.923 6.222 1.301 1.00 0.00 C ATOM 544 CE1 HIS A 37 -14.901 4.527 2.287 1.00 0.00 C ATOM 545 NE2 HIS A 37 -14.821 5.869 2.316 1.00 0.00 N ATOM 0 H HIS A 37 -12.747 3.859 -3.336 1.00 0.00 H new ATOM 0 HA HIS A 37 -14.124 4.728 -1.870 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -12.063 3.981 -0.444 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -11.712 5.692 -0.300 1.00 0.00 H new ATOM 0 HD1 HIS A 37 -13.996 3.035 1.097 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -13.624 7.227 1.043 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -15.515 3.935 2.949 1.00 0.00 H new ATOM 553 N ASP A 38 -12.692 7.403 -2.873 1.00 0.00 N ATOM 554 CA ASP A 38 -12.898 8.806 -3.215 1.00 0.00 C ATOM 555 C ASP A 38 -12.259 9.153 -4.561 1.00 0.00 C ATOM 556 O ASP A 38 -12.729 10.060 -5.246 1.00 0.00 O ATOM 557 CB ASP A 38 -12.264 9.697 -2.148 1.00 0.00 C ATOM 558 CG ASP A 38 -13.058 9.709 -0.844 1.00 0.00 C ATOM 559 OD1 ASP A 38 -14.189 10.247 -0.863 1.00 0.00 O ATOM 560 OD2 ASP A 38 -12.529 9.182 0.158 1.00 0.00 O ATOM 0 H ASP A 38 -11.870 6.999 -3.322 1.00 0.00 H new ATOM 0 HA ASP A 38 -13.973 8.974 -3.274 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -11.250 9.352 -1.948 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -12.185 10.715 -2.530 1.00 0.00 H new ATOM 565 N GLY A 39 -11.194 8.441 -4.945 1.00 0.00 N ATOM 566 CA GLY A 39 -10.532 8.643 -6.228 1.00 0.00 C ATOM 567 C GLY A 39 -9.319 9.562 -6.142 1.00 0.00 C ATOM 568 O GLY A 39 -8.648 9.802 -7.141 1.00 0.00 O ATOM 0 H GLY A 39 -10.771 7.711 -4.372 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -10.220 7.677 -6.624 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -11.247 9.062 -6.936 1.00 0.00 H new ATOM 572 N ALA A 40 -9.048 10.070 -4.942 1.00 0.00 N ATOM 573 CA ALA A 40 -7.929 10.951 -4.640 1.00 0.00 C ATOM 574 C ALA A 40 -7.828 11.208 -3.135 1.00 0.00 C ATOM 575 O ALA A 40 -6.975 11.982 -2.699 1.00 0.00 O ATOM 576 CB ALA A 40 -8.131 12.285 -5.361 1.00 0.00 C ATOM 0 H ALA A 40 -9.625 9.870 -4.125 1.00 0.00 H new ATOM 0 HA ALA A 40 -7.009 10.472 -4.976 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -7.296 12.949 -5.138 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -8.182 12.113 -6.436 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -9.060 12.744 -5.023 1.00 0.00 H new ATOM 582 N ALA A 41 -8.691 10.566 -2.338 1.00 0.00 N ATOM 583 CA ALA A 41 -8.740 10.795 -0.899 1.00 0.00 C ATOM 584 C ALA A 41 -8.822 9.484 -0.113 1.00 0.00 C ATOM 585 O ALA A 41 -9.169 9.486 1.068 1.00 0.00 O ATOM 586 CB ALA A 41 -9.903 11.733 -0.573 1.00 0.00 C ATOM 0 H ALA A 41 -9.367 9.880 -2.674 1.00 0.00 H new ATOM 0 HA ALA A 41 -7.810 11.272 -0.589 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -9.941 11.905 0.503 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -9.760 12.683 -1.088 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -10.839 11.280 -0.901 1.00 0.00 H new ATOM 592 N GLY A 42 -8.501 8.366 -0.772 1.00 0.00 N ATOM 593 CA GLY A 42 -8.431 7.053 -0.143 1.00 0.00 C ATOM 594 C GLY A 42 -7.016 6.497 -0.270 1.00 0.00 C ATOM 595 O GLY A 42 -6.733 5.388 0.181 1.00 0.00 O ATOM 0 H GLY A 42 -8.281 8.352 -1.768 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -8.710 7.127 0.908 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -9.142 6.375 -0.614 1.00 0.00 H new ATOM 599 N VAL A 43 -6.131 7.283 -0.892 1.00 0.00 N ATOM 600 CA VAL A 43 -4.722 6.961 -1.040 1.00 0.00 C ATOM 601 C VAL A 43 -4.023 7.065 0.318 1.00 0.00 C ATOM 602 O VAL A 43 -4.492 7.777 1.205 1.00 0.00 O ATOM 603 CB VAL A 43 -4.102 7.944 -2.047 1.00 0.00 C ATOM 604 CG1 VAL A 43 -4.026 9.352 -1.454 1.00 0.00 C ATOM 605 CG2 VAL A 43 -2.709 7.469 -2.451 1.00 0.00 C ATOM 0 H VAL A 43 -6.387 8.177 -1.312 1.00 0.00 H new ATOM 0 HA VAL A 43 -4.601 5.942 -1.407 1.00 0.00 H new ATOM 0 HB VAL A 43 -4.738 7.978 -2.932 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.584 10.031 -2.184 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -5.029 9.695 -1.201 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -3.410 9.335 -0.555 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -2.278 8.171 -3.164 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -2.073 7.413 -1.567 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -2.780 6.483 -2.910 1.00 0.00 H new ATOM 615 N HIS A 44 -2.901 6.359 0.482 1.00 0.00 N ATOM 616 CA HIS A 44 -2.061 6.461 1.667 1.00 0.00 C ATOM 617 C HIS A 44 -0.616 6.149 1.296 1.00 0.00 C ATOM 618 O HIS A 44 -0.371 5.390 0.362 1.00 0.00 O ATOM 619 CB HIS A 44 -2.511 5.455 2.724 1.00 0.00 C ATOM 620 CG HIS A 44 -3.796 5.814 3.415 1.00 0.00 C ATOM 621 ND1 HIS A 44 -3.972 6.803 4.355 1.00 0.00 N ATOM 622 CD2 HIS A 44 -5.008 5.211 3.229 1.00 0.00 C ATOM 623 CE1 HIS A 44 -5.265 6.786 4.726 1.00 0.00 C ATOM 624 NE2 HIS A 44 -5.942 5.832 4.064 1.00 0.00 N ATOM 0 H HIS A 44 -2.552 5.697 -0.212 1.00 0.00 H new ATOM 0 HA HIS A 44 -2.144 7.473 2.063 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -2.626 4.479 2.253 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -1.725 5.357 3.473 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -5.210 4.394 2.552 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -5.701 7.450 5.458 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -6.933 5.607 4.153 1.00 0.00 H new ATOM 632 N PHE A 45 0.335 6.735 2.030 1.00 0.00 N ATOM 633 CA PHE A 45 1.759 6.512 1.826 1.00 0.00 C ATOM 634 C PHE A 45 2.488 6.604 3.163 1.00 0.00 C ATOM 635 O PHE A 45 1.975 7.201 4.109 1.00 0.00 O ATOM 636 CB PHE A 45 2.317 7.576 0.880 1.00 0.00 C ATOM 637 CG PHE A 45 1.673 7.611 -0.487 1.00 0.00 C ATOM 638 CD1 PHE A 45 1.725 6.483 -1.317 1.00 0.00 C ATOM 639 CD2 PHE A 45 1.021 8.772 -0.928 1.00 0.00 C ATOM 640 CE1 PHE A 45 1.105 6.503 -2.574 1.00 0.00 C ATOM 641 CE2 PHE A 45 0.415 8.797 -2.192 1.00 0.00 C ATOM 642 CZ PHE A 45 0.450 7.661 -3.011 1.00 0.00 C ATOM 0 H PHE A 45 0.129 7.384 2.790 1.00 0.00 H new ATOM 0 HA PHE A 45 1.906 5.523 1.393 1.00 0.00 H new ATOM 0 HB2 PHE A 45 2.199 8.554 1.346 1.00 0.00 H new ATOM 0 HB3 PHE A 45 3.387 7.408 0.758 1.00 0.00 H new ATOM 0 HD1 PHE A 45 2.244 5.595 -0.987 1.00 0.00 H new ATOM 0 HD2 PHE A 45 0.986 9.646 -0.294 1.00 0.00 H new ATOM 0 HE1 PHE A 45 1.132 5.627 -3.205 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -0.080 9.694 -2.535 1.00 0.00 H new ATOM 0 HZ PHE A 45 -0.028 7.678 -3.979 1.00 0.00 H new ATOM 652 N ILE A 46 3.686 6.013 3.244 1.00 0.00 N ATOM 653 CA ILE A 46 4.483 6.017 4.464 1.00 0.00 C ATOM 654 C ILE A 46 5.953 6.277 4.132 1.00 0.00 C ATOM 655 O ILE A 46 6.740 5.346 3.973 1.00 0.00 O ATOM 656 CB ILE A 46 4.303 4.708 5.253 1.00 0.00 C ATOM 657 CG1 ILE A 46 2.834 4.398 5.573 1.00 0.00 C ATOM 658 CG2 ILE A 46 5.038 4.854 6.586 1.00 0.00 C ATOM 659 CD1 ILE A 46 2.169 3.547 4.494 1.00 0.00 C ATOM 0 H ILE A 46 4.124 5.521 2.465 1.00 0.00 H new ATOM 0 HA ILE A 46 4.131 6.825 5.105 1.00 0.00 H new ATOM 0 HB ILE A 46 4.694 3.899 4.636 1.00 0.00 H new ATOM 0 HG12 ILE A 46 2.775 3.878 6.529 1.00 0.00 H new ATOM 0 HG13 ILE A 46 2.284 5.333 5.684 1.00 0.00 H new ATOM 0 HG21 ILE A 46 4.926 3.938 7.166 1.00 0.00 H new ATOM 0 HG22 ILE A 46 6.096 5.038 6.400 1.00 0.00 H new ATOM 0 HG23 ILE A 46 4.617 5.690 7.144 1.00 0.00 H new ATOM 0 HD11 ILE A 46 1.132 3.356 4.769 1.00 0.00 H new ATOM 0 HD12 ILE A 46 2.201 4.077 3.542 1.00 0.00 H new ATOM 0 HD13 ILE A 46 2.699 2.599 4.400 1.00 0.00 H new ATOM 671 N TYR A 47 6.314 7.559 4.027 1.00 0.00 N ATOM 672 CA TYR A 47 7.679 8.015 3.802 1.00 0.00 C ATOM 673 C TYR A 47 7.851 9.391 4.447 1.00 0.00 C ATOM 674 O TYR A 47 6.923 9.890 5.084 1.00 0.00 O ATOM 675 CB TYR A 47 7.982 8.089 2.303 1.00 0.00 C ATOM 676 CG TYR A 47 7.192 9.144 1.560 1.00 0.00 C ATOM 677 CD1 TYR A 47 5.867 8.893 1.181 1.00 0.00 C ATOM 678 CD2 TYR A 47 7.792 10.373 1.249 1.00 0.00 C ATOM 679 CE1 TYR A 47 5.132 9.870 0.494 1.00 0.00 C ATOM 680 CE2 TYR A 47 7.065 11.357 0.564 1.00 0.00 C ATOM 681 CZ TYR A 47 5.730 11.109 0.184 1.00 0.00 C ATOM 682 OH TYR A 47 5.024 12.065 -0.484 1.00 0.00 O ATOM 0 H TYR A 47 5.644 8.325 4.099 1.00 0.00 H new ATOM 0 HA TYR A 47 8.377 7.308 4.251 1.00 0.00 H new ATOM 0 HB2 TYR A 47 9.046 8.286 2.168 1.00 0.00 H new ATOM 0 HB3 TYR A 47 7.779 7.117 1.855 1.00 0.00 H new ATOM 0 HD1 TYR A 47 5.410 7.944 1.419 1.00 0.00 H new ATOM 0 HD2 TYR A 47 8.815 10.562 1.538 1.00 0.00 H new ATOM 0 HE1 TYR A 47 4.111 9.674 0.203 1.00 0.00 H new ATOM 0 HE2 TYR A 47 7.527 12.304 0.328 1.00 0.00 H new ATOM 0 HH TYR A 47 5.587 12.856 -0.614 1.00 0.00 H new ATOM 692 N THR A 48 9.026 10.013 4.291 1.00 0.00 N ATOM 693 CA THR A 48 9.262 11.346 4.836 1.00 0.00 C ATOM 694 C THR A 48 10.008 12.242 3.858 1.00 0.00 C ATOM 695 O THR A 48 10.629 11.781 2.901 1.00 0.00 O ATOM 696 CB THR A 48 10.045 11.279 6.149 1.00 0.00 C ATOM 697 OG1 THR A 48 11.218 10.515 5.978 1.00 0.00 O ATOM 698 CG2 THR A 48 9.186 10.668 7.249 1.00 0.00 C ATOM 0 H THR A 48 9.822 9.613 3.794 1.00 0.00 H new ATOM 0 HA THR A 48 8.278 11.777 5.021 1.00 0.00 H new ATOM 0 HB THR A 48 10.320 12.293 6.439 1.00 0.00 H new ATOM 0 HG1 THR A 48 11.712 10.480 6.824 1.00 0.00 H new ATOM 0 HG21 THR A 48 9.757 10.627 8.176 1.00 0.00 H new ATOM 0 HG22 THR A 48 8.296 11.279 7.398 1.00 0.00 H new ATOM 0 HG23 THR A 48 8.889 9.659 6.961 1.00 0.00 H new ATOM 706 N ARG A 49 9.924 13.547 4.131 1.00 0.00 N ATOM 707 CA ARG A 49 10.493 14.613 3.321 1.00 0.00 C ATOM 708 C ARG A 49 12.015 14.722 3.438 1.00 0.00 C ATOM 709 O ARG A 49 12.603 15.655 2.895 1.00 0.00 O ATOM 710 CB ARG A 49 9.785 15.920 3.702 1.00 0.00 C ATOM 711 CG ARG A 49 9.810 16.252 5.200 1.00 0.00 C ATOM 712 CD ARG A 49 11.211 16.572 5.721 1.00 0.00 C ATOM 713 NE ARG A 49 11.161 17.070 7.100 1.00 0.00 N ATOM 714 CZ ARG A 49 10.967 18.350 7.436 1.00 0.00 C ATOM 715 NH1 ARG A 49 10.803 19.285 6.504 1.00 0.00 N ATOM 716 NH2 ARG A 49 10.939 18.701 8.720 1.00 0.00 N ATOM 0 H ARG A 49 9.437 13.897 4.956 1.00 0.00 H new ATOM 0 HA ARG A 49 10.323 14.386 2.268 1.00 0.00 H new ATOM 0 HB2 ARG A 49 10.248 16.741 3.154 1.00 0.00 H new ATOM 0 HB3 ARG A 49 8.747 15.864 3.374 1.00 0.00 H new ATOM 0 HG2 ARG A 49 9.156 17.103 5.388 1.00 0.00 H new ATOM 0 HG3 ARG A 49 9.405 15.409 5.760 1.00 0.00 H new ATOM 0 HD2 ARG A 49 11.832 15.677 5.677 1.00 0.00 H new ATOM 0 HD3 ARG A 49 11.680 17.318 5.079 1.00 0.00 H new ATOM 0 HE ARG A 49 11.282 16.394 7.854 1.00 0.00 H new ATOM 0 HH11 ARG A 49 10.824 19.030 5.517 1.00 0.00 H new ATOM 0 HH12 ARG A 49 10.656 20.257 6.777 1.00 0.00 H new ATOM 0 HH21 ARG A 49 11.065 17.994 9.445 1.00 0.00 H new ATOM 0 HH22 ARG A 49 10.791 19.676 8.979 1.00 0.00 H new ATOM 730 N GLU A 50 12.657 13.783 4.139 1.00 0.00 N ATOM 731 CA GLU A 50 14.098 13.792 4.340 1.00 0.00 C ATOM 732 C GLU A 50 14.647 12.362 4.382 1.00 0.00 C ATOM 733 O GLU A 50 15.710 12.101 4.940 1.00 0.00 O ATOM 734 CB GLU A 50 14.415 14.583 5.612 1.00 0.00 C ATOM 735 CG GLU A 50 15.913 14.848 5.698 1.00 0.00 C ATOM 736 CD GLU A 50 16.208 16.072 6.564 1.00 0.00 C ATOM 737 OE1 GLU A 50 16.190 15.920 7.807 1.00 0.00 O ATOM 738 OE2 GLU A 50 16.449 17.151 5.978 1.00 0.00 O ATOM 0 H GLU A 50 12.185 12.995 4.582 1.00 0.00 H new ATOM 0 HA GLU A 50 14.592 14.284 3.502 1.00 0.00 H new ATOM 0 HB2 GLU A 50 13.869 15.527 5.609 1.00 0.00 H new ATOM 0 HB3 GLU A 50 14.084 14.026 6.489 1.00 0.00 H new ATOM 0 HG2 GLU A 50 16.416 13.975 6.114 1.00 0.00 H new ATOM 0 HG3 GLU A 50 16.316 15.002 4.697 1.00 0.00 H new ATOM 745 N GLY A 51 13.913 11.422 3.783 1.00 0.00 N ATOM 746 CA GLY A 51 14.291 10.024 3.770 1.00 0.00 C ATOM 747 C GLY A 51 13.727 9.327 2.539 1.00 0.00 C ATOM 748 O GLY A 51 13.820 9.838 1.423 1.00 0.00 O ATOM 0 H GLY A 51 13.039 11.618 3.295 1.00 0.00 H new ATOM 0 HA2 GLY A 51 15.377 9.935 3.779 1.00 0.00 H new ATOM 0 HA3 GLY A 51 13.924 9.534 4.672 1.00 0.00 H new ATOM 752 N ARG A 52 13.144 8.151 2.767 1.00 0.00 N ATOM 753 CA ARG A 52 12.618 7.281 1.726 1.00 0.00 C ATOM 754 C ARG A 52 11.470 6.452 2.294 1.00 0.00 C ATOM 755 O ARG A 52 11.054 6.673 3.430 1.00 0.00 O ATOM 756 CB ARG A 52 13.733 6.389 1.152 1.00 0.00 C ATOM 757 CG ARG A 52 14.260 5.313 2.109 1.00 0.00 C ATOM 758 CD ARG A 52 15.003 5.864 3.328 1.00 0.00 C ATOM 759 NE ARG A 52 16.117 6.733 2.933 1.00 0.00 N ATOM 760 CZ ARG A 52 16.884 7.404 3.797 1.00 0.00 C ATOM 761 NH1 ARG A 52 16.676 7.310 5.108 1.00 0.00 N ATOM 762 NH2 ARG A 52 17.869 8.177 3.348 1.00 0.00 N ATOM 0 H ARG A 52 13.023 7.771 3.706 1.00 0.00 H new ATOM 0 HA ARG A 52 12.234 7.885 0.904 1.00 0.00 H new ATOM 0 HB2 ARG A 52 13.360 5.901 0.251 1.00 0.00 H new ATOM 0 HB3 ARG A 52 14.566 7.024 0.849 1.00 0.00 H new ATOM 0 HG2 ARG A 52 13.422 4.707 2.452 1.00 0.00 H new ATOM 0 HG3 ARG A 52 14.929 4.650 1.559 1.00 0.00 H new ATOM 0 HD2 ARG A 52 14.309 6.423 3.956 1.00 0.00 H new ATOM 0 HD3 ARG A 52 15.381 5.037 3.929 1.00 0.00 H new ATOM 0 HE ARG A 52 16.318 6.831 1.938 1.00 0.00 H new ATOM 0 HH11 ARG A 52 15.924 6.720 5.464 1.00 0.00 H new ATOM 0 HH12 ARG A 52 17.269 7.828 5.757 1.00 0.00 H new ATOM 0 HH21 ARG A 52 18.038 8.257 2.345 1.00 0.00 H new ATOM 0 HH22 ARG A 52 18.455 8.690 4.006 1.00 0.00 H new ATOM 776 N GLN A 53 10.958 5.501 1.509 1.00 0.00 N ATOM 777 CA GLN A 53 9.866 4.643 1.940 1.00 0.00 C ATOM 778 C GLN A 53 10.189 4.014 3.298 1.00 0.00 C ATOM 779 O GLN A 53 11.314 3.571 3.527 1.00 0.00 O ATOM 780 CB GLN A 53 9.628 3.567 0.876 1.00 0.00 C ATOM 781 CG GLN A 53 8.183 3.067 0.907 1.00 0.00 C ATOM 782 CD GLN A 53 7.233 4.124 0.355 1.00 0.00 C ATOM 783 OE1 GLN A 53 7.113 4.292 -0.854 1.00 0.00 O ATOM 784 NE2 GLN A 53 6.547 4.848 1.235 1.00 0.00 N ATOM 0 H GLN A 53 11.290 5.309 0.564 1.00 0.00 H new ATOM 0 HA GLN A 53 8.957 5.233 2.057 1.00 0.00 H new ATOM 0 HB2 GLN A 53 9.854 3.971 -0.111 1.00 0.00 H new ATOM 0 HB3 GLN A 53 10.308 2.731 1.042 1.00 0.00 H new ATOM 0 HG2 GLN A 53 8.097 2.152 0.320 1.00 0.00 H new ATOM 0 HG3 GLN A 53 7.902 2.817 1.930 1.00 0.00 H new ATOM 0 HE21 GLN A 53 6.668 4.685 2.235 1.00 0.00 H new ATOM 0 HE22 GLN A 53 5.900 5.566 0.910 1.00 0.00 H new ATOM 793 N SER A 54 9.200 3.976 4.197 1.00 0.00 N ATOM 794 CA SER A 54 9.373 3.476 5.557 1.00 0.00 C ATOM 795 C SER A 54 8.145 2.690 6.018 1.00 0.00 C ATOM 796 O SER A 54 7.936 2.511 7.216 1.00 0.00 O ATOM 797 CB SER A 54 9.636 4.650 6.504 1.00 0.00 C ATOM 798 OG SER A 54 10.814 5.336 6.132 1.00 0.00 O ATOM 0 H SER A 54 8.252 4.294 3.996 1.00 0.00 H new ATOM 0 HA SER A 54 10.227 2.798 5.571 1.00 0.00 H new ATOM 0 HB2 SER A 54 8.789 5.335 6.486 1.00 0.00 H new ATOM 0 HB3 SER A 54 9.729 4.285 7.527 1.00 0.00 H new ATOM 0 HG SER A 54 10.675 5.781 5.270 1.00 0.00 H new ATOM 804 N GLY A 55 7.331 2.222 5.067 1.00 0.00 N ATOM 805 CA GLY A 55 6.149 1.431 5.372 1.00 0.00 C ATOM 806 C GLY A 55 5.322 1.106 4.128 1.00 0.00 C ATOM 807 O GLY A 55 4.158 0.733 4.258 1.00 0.00 O ATOM 0 H GLY A 55 7.477 2.383 4.070 1.00 0.00 H new ATOM 0 HA2 GLY A 55 6.453 0.502 5.855 1.00 0.00 H new ATOM 0 HA3 GLY A 55 5.528 1.973 6.085 1.00 0.00 H new ATOM 811 N GLU A 56 5.905 1.240 2.931 1.00 0.00 N ATOM 812 CA GLU A 56 5.181 1.110 1.671 1.00 0.00 C ATOM 813 C GLU A 56 3.930 1.993 1.653 1.00 0.00 C ATOM 814 O GLU A 56 3.989 3.139 2.098 1.00 0.00 O ATOM 815 CB GLU A 56 4.880 -0.359 1.372 1.00 0.00 C ATOM 816 CG GLU A 56 6.159 -1.198 1.323 1.00 0.00 C ATOM 817 CD GLU A 56 7.147 -0.687 0.276 1.00 0.00 C ATOM 818 OE1 GLU A 56 6.684 -0.270 -0.810 1.00 0.00 O ATOM 819 OE2 GLU A 56 8.362 -0.719 0.575 1.00 0.00 O ATOM 0 H GLU A 56 6.898 1.443 2.814 1.00 0.00 H new ATOM 0 HA GLU A 56 5.817 1.473 0.864 1.00 0.00 H new ATOM 0 HB2 GLU A 56 4.212 -0.757 2.136 1.00 0.00 H new ATOM 0 HB3 GLU A 56 4.356 -0.437 0.419 1.00 0.00 H new ATOM 0 HG2 GLU A 56 6.635 -1.189 2.304 1.00 0.00 H new ATOM 0 HG3 GLU A 56 5.903 -2.234 1.103 1.00 0.00 H new ATOM 826 N ALA A 57 2.803 1.481 1.145 1.00 0.00 N ATOM 827 CA ALA A 57 1.591 2.268 0.988 1.00 0.00 C ATOM 828 C ALA A 57 0.326 1.402 1.037 1.00 0.00 C ATOM 829 O ALA A 57 0.403 0.179 1.161 1.00 0.00 O ATOM 830 CB ALA A 57 1.689 2.978 -0.363 1.00 0.00 C ATOM 0 H ALA A 57 2.713 0.513 0.835 1.00 0.00 H new ATOM 0 HA ALA A 57 1.510 2.978 1.811 1.00 0.00 H new ATOM 0 HB1 ALA A 57 0.796 3.582 -0.522 1.00 0.00 H new ATOM 0 HB2 ALA A 57 2.569 3.621 -0.373 1.00 0.00 H new ATOM 0 HB3 ALA A 57 1.772 2.237 -1.158 1.00 0.00 H new ATOM 836 N PHE A 58 -0.843 2.047 0.937 1.00 0.00 N ATOM 837 CA PHE A 58 -2.140 1.381 0.955 1.00 0.00 C ATOM 838 C PHE A 58 -3.144 2.144 0.096 1.00 0.00 C ATOM 839 O PHE A 58 -2.878 3.262 -0.342 1.00 0.00 O ATOM 840 CB PHE A 58 -2.695 1.323 2.380 1.00 0.00 C ATOM 841 CG PHE A 58 -1.802 0.652 3.392 1.00 0.00 C ATOM 842 CD1 PHE A 58 -1.870 -0.733 3.601 1.00 0.00 C ATOM 843 CD2 PHE A 58 -0.905 1.431 4.128 1.00 0.00 C ATOM 844 CE1 PHE A 58 -1.044 -1.336 4.562 1.00 0.00 C ATOM 845 CE2 PHE A 58 -0.088 0.833 5.088 1.00 0.00 C ATOM 846 CZ PHE A 58 -0.153 -0.552 5.308 1.00 0.00 C ATOM 0 H PHE A 58 -0.909 3.060 0.840 1.00 0.00 H new ATOM 0 HA PHE A 58 -1.996 0.373 0.565 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -2.896 2.340 2.716 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -3.651 0.799 2.359 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -2.557 -1.334 3.024 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -0.844 2.495 3.954 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -1.095 -2.402 4.727 1.00 0.00 H new ATOM 0 HE2 PHE A 58 0.597 1.438 5.664 1.00 0.00 H new ATOM 0 HZ PHE A 58 0.482 -1.012 6.050 1.00 0.00 H new ATOM 856 N VAL A 59 -4.305 1.524 -0.139 1.00 0.00 N ATOM 857 CA VAL A 59 -5.399 2.123 -0.889 1.00 0.00 C ATOM 858 C VAL A 59 -6.721 1.619 -0.322 1.00 0.00 C ATOM 859 O VAL A 59 -7.007 0.424 -0.379 1.00 0.00 O ATOM 860 CB VAL A 59 -5.303 1.733 -2.371 1.00 0.00 C ATOM 861 CG1 VAL A 59 -6.400 2.438 -3.167 1.00 0.00 C ATOM 862 CG2 VAL A 59 -3.958 2.125 -2.983 1.00 0.00 C ATOM 0 H VAL A 59 -4.508 0.581 0.193 1.00 0.00 H new ATOM 0 HA VAL A 59 -5.341 3.208 -0.804 1.00 0.00 H new ATOM 0 HB VAL A 59 -5.414 0.650 -2.420 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -6.325 2.156 -4.217 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -7.376 2.144 -2.781 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -6.282 3.517 -3.071 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -3.936 1.830 -4.032 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -3.824 3.204 -2.907 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -3.154 1.621 -2.447 1.00 0.00 H new ATOM 872 N GLU A 60 -7.537 2.522 0.227 1.00 0.00 N ATOM 873 CA GLU A 60 -8.880 2.165 0.662 1.00 0.00 C ATOM 874 C GLU A 60 -9.785 2.118 -0.565 1.00 0.00 C ATOM 875 O GLU A 60 -9.542 2.832 -1.534 1.00 0.00 O ATOM 876 CB GLU A 60 -9.421 3.203 1.646 1.00 0.00 C ATOM 877 CG GLU A 60 -8.567 3.265 2.912 1.00 0.00 C ATOM 878 CD GLU A 60 -9.213 4.177 3.956 1.00 0.00 C ATOM 879 OE1 GLU A 60 -9.430 5.367 3.635 1.00 0.00 O ATOM 880 OE2 GLU A 60 -9.486 3.675 5.069 1.00 0.00 O ATOM 0 H GLU A 60 -7.289 3.500 0.378 1.00 0.00 H new ATOM 0 HA GLU A 60 -8.853 1.196 1.161 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -9.441 4.183 1.170 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -10.449 2.956 1.910 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -8.444 2.263 3.323 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -7.571 3.633 2.667 1.00 0.00 H new ATOM 887 N LEU A 61 -10.827 1.284 -0.532 1.00 0.00 N ATOM 888 CA LEU A 61 -11.744 1.159 -1.657 1.00 0.00 C ATOM 889 C LEU A 61 -13.191 1.288 -1.190 1.00 0.00 C ATOM 890 O LEU A 61 -13.448 1.604 -0.029 1.00 0.00 O ATOM 891 CB LEU A 61 -11.544 -0.184 -2.361 1.00 0.00 C ATOM 892 CG LEU A 61 -10.068 -0.552 -2.561 1.00 0.00 C ATOM 893 CD1 LEU A 61 -9.969 -2.031 -2.894 1.00 0.00 C ATOM 894 CD2 LEU A 61 -9.466 0.241 -3.719 1.00 0.00 C ATOM 0 H LEU A 61 -11.053 0.687 0.264 1.00 0.00 H new ATOM 0 HA LEU A 61 -11.530 1.964 -2.360 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -12.031 -0.967 -1.779 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -12.038 -0.154 -3.332 1.00 0.00 H new ATOM 0 HG LEU A 61 -9.524 -0.320 -1.645 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -8.923 -2.302 -3.038 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -10.386 -2.617 -2.075 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -10.526 -2.236 -3.808 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -8.419 -0.035 -3.844 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -10.012 0.017 -4.636 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -9.537 1.308 -3.505 1.00 0.00 H new ATOM 906 N GLY A 62 -14.137 1.043 -2.099 1.00 0.00 N ATOM 907 CA GLY A 62 -15.547 1.248 -1.818 1.00 0.00 C ATOM 908 C GLY A 62 -16.336 -0.046 -1.629 1.00 0.00 C ATOM 909 O GLY A 62 -17.390 -0.015 -0.995 1.00 0.00 O ATOM 0 H GLY A 62 -13.943 0.700 -3.040 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -15.643 1.855 -0.918 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -15.991 1.817 -2.635 1.00 0.00 H new ATOM 913 N SER A 63 -15.861 -1.179 -2.157 1.00 0.00 N ATOM 914 CA SER A 63 -16.574 -2.440 -1.990 1.00 0.00 C ATOM 915 C SER A 63 -15.659 -3.642 -2.186 1.00 0.00 C ATOM 916 O SER A 63 -14.501 -3.502 -2.571 1.00 0.00 O ATOM 917 CB SER A 63 -17.706 -2.525 -3.014 1.00 0.00 C ATOM 918 OG SER A 63 -18.666 -3.476 -2.599 1.00 0.00 O ATOM 0 H SER A 63 -14.997 -1.245 -2.696 1.00 0.00 H new ATOM 0 HA SER A 63 -16.963 -2.462 -0.972 1.00 0.00 H new ATOM 0 HB2 SER A 63 -18.176 -1.549 -3.130 1.00 0.00 H new ATOM 0 HB3 SER A 63 -17.305 -2.803 -3.989 1.00 0.00 H new ATOM 0 HG SER A 63 -19.388 -3.522 -3.260 1.00 0.00 H new ATOM 924 N GLU A 64 -16.200 -4.833 -1.916 1.00 0.00 N ATOM 925 CA GLU A 64 -15.523 -6.098 -2.142 1.00 0.00 C ATOM 926 C GLU A 64 -15.144 -6.244 -3.612 1.00 0.00 C ATOM 927 O GLU A 64 -14.140 -6.873 -3.940 1.00 0.00 O ATOM 928 CB GLU A 64 -16.487 -7.219 -1.749 1.00 0.00 C ATOM 929 CG GLU A 64 -15.919 -8.599 -2.082 1.00 0.00 C ATOM 930 CD GLU A 64 -16.855 -9.702 -1.593 1.00 0.00 C ATOM 931 OE1 GLU A 64 -17.770 -10.069 -2.363 1.00 0.00 O ATOM 932 OE2 GLU A 64 -16.650 -10.172 -0.451 1.00 0.00 O ATOM 0 H GLU A 64 -17.137 -4.939 -1.528 1.00 0.00 H new ATOM 0 HA GLU A 64 -14.610 -6.144 -1.548 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -16.697 -7.160 -0.681 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -17.436 -7.081 -2.268 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -15.776 -8.688 -3.159 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -14.939 -8.715 -1.619 1.00 0.00 H new ATOM 939 N ASP A 65 -15.940 -5.667 -4.512 1.00 0.00 N ATOM 940 CA ASP A 65 -15.662 -5.784 -5.930 1.00 0.00 C ATOM 941 C ASP A 65 -14.389 -5.023 -6.295 1.00 0.00 C ATOM 942 O ASP A 65 -13.684 -5.411 -7.224 1.00 0.00 O ATOM 943 CB ASP A 65 -16.865 -5.253 -6.712 1.00 0.00 C ATOM 944 CG ASP A 65 -16.727 -5.511 -8.210 1.00 0.00 C ATOM 945 OD1 ASP A 65 -16.502 -6.686 -8.577 1.00 0.00 O ATOM 946 OD2 ASP A 65 -16.848 -4.531 -8.978 1.00 0.00 O ATOM 0 H ASP A 65 -16.771 -5.122 -4.282 1.00 0.00 H new ATOM 0 HA ASP A 65 -15.499 -6.830 -6.188 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -17.775 -5.727 -6.344 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -16.969 -4.182 -6.536 1.00 0.00 H new ATOM 951 N ASP A 66 -14.085 -3.941 -5.571 1.00 0.00 N ATOM 952 CA ASP A 66 -12.901 -3.147 -5.844 1.00 0.00 C ATOM 953 C ASP A 66 -11.649 -3.850 -5.327 1.00 0.00 C ATOM 954 O ASP A 66 -10.614 -3.817 -5.990 1.00 0.00 O ATOM 955 CB ASP A 66 -13.045 -1.789 -5.159 1.00 0.00 C ATOM 956 CG ASP A 66 -14.194 -0.968 -5.732 1.00 0.00 C ATOM 957 OD1 ASP A 66 -14.279 -0.878 -6.976 1.00 0.00 O ATOM 958 OD2 ASP A 66 -14.977 -0.436 -4.914 1.00 0.00 O ATOM 0 H ASP A 66 -14.649 -3.601 -4.792 1.00 0.00 H new ATOM 0 HA ASP A 66 -12.802 -3.016 -6.922 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -13.206 -1.939 -4.091 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -12.115 -1.231 -5.266 1.00 0.00 H new ATOM 963 N VAL A 67 -11.724 -4.488 -4.153 1.00 0.00 N ATOM 964 CA VAL A 67 -10.561 -5.173 -3.603 1.00 0.00 C ATOM 965 C VAL A 67 -10.223 -6.371 -4.475 1.00 0.00 C ATOM 966 O VAL A 67 -9.050 -6.643 -4.709 1.00 0.00 O ATOM 967 CB VAL A 67 -10.771 -5.563 -2.132 1.00 0.00 C ATOM 968 CG1 VAL A 67 -12.164 -6.093 -1.834 1.00 0.00 C ATOM 969 CG2 VAL A 67 -9.764 -6.616 -1.676 1.00 0.00 C ATOM 0 H VAL A 67 -12.565 -4.541 -3.578 1.00 0.00 H new ATOM 0 HA VAL A 67 -9.711 -4.490 -3.611 1.00 0.00 H new ATOM 0 HB VAL A 67 -10.628 -4.632 -1.583 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -12.238 -6.348 -0.777 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -12.903 -5.329 -2.076 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -12.351 -6.983 -2.435 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -9.946 -6.865 -0.630 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -9.873 -7.512 -2.287 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -8.753 -6.224 -1.785 1.00 0.00 H new ATOM 979 N LYS A 68 -11.234 -7.092 -4.962 1.00 0.00 N ATOM 980 CA LYS A 68 -10.997 -8.212 -5.849 1.00 0.00 C ATOM 981 C LYS A 68 -10.308 -7.736 -7.126 1.00 0.00 C ATOM 982 O LYS A 68 -9.365 -8.376 -7.588 1.00 0.00 O ATOM 983 CB LYS A 68 -12.339 -8.883 -6.144 1.00 0.00 C ATOM 984 CG LYS A 68 -12.836 -9.596 -4.884 1.00 0.00 C ATOM 985 CD LYS A 68 -14.291 -10.049 -5.029 1.00 0.00 C ATOM 986 CE LYS A 68 -14.495 -11.021 -6.190 1.00 0.00 C ATOM 987 NZ LYS A 68 -13.770 -12.288 -5.974 1.00 0.00 N ATOM 0 H LYS A 68 -12.217 -6.915 -4.754 1.00 0.00 H new ATOM 0 HA LYS A 68 -10.333 -8.939 -5.380 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -13.068 -8.139 -6.466 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -12.230 -9.597 -6.961 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -12.204 -10.460 -4.681 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -12.746 -8.928 -4.028 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -14.613 -10.524 -4.102 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -14.926 -9.175 -5.177 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -15.559 -11.226 -6.310 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -14.153 -10.559 -7.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -14.012 -12.960 -6.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -12.746 -12.108 -5.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -14.040 -12.690 -5.054 1.00 0.00 H new ATOM 1001 N MET A 69 -10.767 -6.618 -7.699 1.00 0.00 N ATOM 1002 CA MET A 69 -10.197 -6.081 -8.928 1.00 0.00 C ATOM 1003 C MET A 69 -8.783 -5.540 -8.723 1.00 0.00 C ATOM 1004 O MET A 69 -7.986 -5.551 -9.659 1.00 0.00 O ATOM 1005 CB MET A 69 -11.103 -4.975 -9.469 1.00 0.00 C ATOM 1006 CG MET A 69 -12.318 -5.590 -10.163 1.00 0.00 C ATOM 1007 SD MET A 69 -13.330 -4.413 -11.095 1.00 0.00 S ATOM 1008 CE MET A 69 -13.774 -3.265 -9.768 1.00 0.00 C ATOM 0 H MET A 69 -11.539 -6.067 -7.323 1.00 0.00 H new ATOM 0 HA MET A 69 -10.130 -6.898 -9.646 1.00 0.00 H new ATOM 0 HB2 MET A 69 -11.428 -4.328 -8.654 1.00 0.00 H new ATOM 0 HB3 MET A 69 -10.550 -4.351 -10.171 1.00 0.00 H new ATOM 0 HG2 MET A 69 -11.975 -6.371 -10.841 1.00 0.00 H new ATOM 0 HG3 MET A 69 -12.944 -6.072 -9.412 1.00 0.00 H new ATOM 0 HE1 MET A 69 -14.445 -2.500 -10.158 1.00 0.00 H new ATOM 0 HE2 MET A 69 -14.272 -3.810 -8.966 1.00 0.00 H new ATOM 0 HE3 MET A 69 -12.872 -2.792 -9.379 1.00 0.00 H new ATOM 1018 N ALA A 70 -8.452 -5.068 -7.518 1.00 0.00 N ATOM 1019 CA ALA A 70 -7.112 -4.575 -7.231 1.00 0.00 C ATOM 1020 C ALA A 70 -6.113 -5.730 -7.138 1.00 0.00 C ATOM 1021 O ALA A 70 -4.928 -5.551 -7.408 1.00 0.00 O ATOM 1022 CB ALA A 70 -7.149 -3.790 -5.921 1.00 0.00 C ATOM 0 H ALA A 70 -9.097 -5.019 -6.729 1.00 0.00 H new ATOM 0 HA ALA A 70 -6.785 -3.924 -8.041 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -6.151 -3.415 -5.693 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -7.839 -2.952 -6.019 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -7.483 -4.443 -5.115 1.00 0.00 H new ATOM 1028 N LEU A 71 -6.586 -6.921 -6.756 1.00 0.00 N ATOM 1029 CA LEU A 71 -5.748 -8.105 -6.649 1.00 0.00 C ATOM 1030 C LEU A 71 -5.512 -8.756 -8.012 1.00 0.00 C ATOM 1031 O LEU A 71 -4.612 -9.580 -8.152 1.00 0.00 O ATOM 1032 CB LEU A 71 -6.420 -9.087 -5.686 1.00 0.00 C ATOM 1033 CG LEU A 71 -6.553 -8.467 -4.293 1.00 0.00 C ATOM 1034 CD1 LEU A 71 -7.444 -9.343 -3.421 1.00 0.00 C ATOM 1035 CD2 LEU A 71 -5.191 -8.300 -3.631 1.00 0.00 C ATOM 0 H LEU A 71 -7.563 -7.084 -6.513 1.00 0.00 H new ATOM 0 HA LEU A 71 -4.769 -7.817 -6.267 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -7.405 -9.360 -6.064 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -5.836 -10.005 -5.627 1.00 0.00 H new ATOM 0 HG LEU A 71 -7.002 -7.480 -4.403 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -7.535 -8.897 -2.431 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -8.432 -9.423 -3.875 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -7.003 -10.336 -3.333 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -5.318 -7.857 -2.643 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -4.712 -9.274 -3.533 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -4.567 -7.649 -4.243 1.00 0.00 H new ATOM 1047 N LYS A 72 -6.310 -8.395 -9.024 1.00 0.00 N ATOM 1048 CA LYS A 72 -6.122 -8.901 -10.385 1.00 0.00 C ATOM 1049 C LYS A 72 -4.837 -8.402 -11.048 1.00 0.00 C ATOM 1050 O LYS A 72 -4.489 -8.884 -12.124 1.00 0.00 O ATOM 1051 CB LYS A 72 -7.308 -8.515 -11.270 1.00 0.00 C ATOM 1052 CG LYS A 72 -8.632 -9.073 -10.746 1.00 0.00 C ATOM 1053 CD LYS A 72 -8.614 -10.599 -10.635 1.00 0.00 C ATOM 1054 CE LYS A 72 -9.903 -11.067 -9.966 1.00 0.00 C ATOM 1055 NZ LYS A 72 -9.963 -12.540 -9.897 1.00 0.00 N ATOM 0 H LYS A 72 -7.095 -7.751 -8.923 1.00 0.00 H new ATOM 0 HA LYS A 72 -6.047 -9.984 -10.288 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -7.374 -7.429 -11.332 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -7.137 -8.882 -12.282 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -8.844 -8.642 -9.768 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -9.441 -8.768 -11.410 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -8.520 -11.047 -11.624 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -7.750 -10.924 -10.055 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -9.966 -10.650 -8.961 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -10.762 -10.691 -10.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -10.850 -12.830 -9.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -9.926 -12.934 -10.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -9.155 -12.895 -9.346 1.00 0.00 H new ATOM 1069 N LYS A 73 -4.131 -7.449 -10.430 1.00 0.00 N ATOM 1070 CA LYS A 73 -2.880 -6.925 -10.965 1.00 0.00 C ATOM 1071 C LYS A 73 -1.824 -6.828 -9.870 1.00 0.00 C ATOM 1072 O LYS A 73 -0.893 -6.032 -9.950 1.00 0.00 O ATOM 1073 CB LYS A 73 -3.117 -5.585 -11.662 1.00 0.00 C ATOM 1074 CG LYS A 73 -3.488 -4.470 -10.685 1.00 0.00 C ATOM 1075 CD LYS A 73 -4.987 -4.363 -10.400 1.00 0.00 C ATOM 1076 CE LYS A 73 -5.824 -4.141 -11.663 1.00 0.00 C ATOM 1077 NZ LYS A 73 -5.276 -3.073 -12.523 1.00 0.00 N ATOM 0 H LYS A 73 -4.414 -7.023 -9.547 1.00 0.00 H new ATOM 0 HA LYS A 73 -2.498 -7.617 -11.715 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -2.218 -5.300 -12.208 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -3.914 -5.698 -12.397 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -2.961 -4.635 -9.745 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -3.136 -3.519 -11.085 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -5.323 -5.274 -9.904 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -5.161 -3.540 -9.707 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -5.874 -5.070 -12.230 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -6.845 -3.886 -11.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -5.999 -2.773 -13.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -4.999 -2.261 -11.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -4.443 -3.431 -13.033 1.00 0.00 H new ATOM 1091 N ASP A 74 -2.004 -7.662 -8.850 1.00 0.00 N ATOM 1092 CA ASP A 74 -1.173 -7.761 -7.659 1.00 0.00 C ATOM 1093 C ASP A 74 0.343 -7.836 -7.874 1.00 0.00 C ATOM 1094 O ASP A 74 1.072 -7.813 -6.886 1.00 0.00 O ATOM 1095 CB ASP A 74 -1.654 -8.964 -6.846 1.00 0.00 C ATOM 1096 CG ASP A 74 -1.329 -10.304 -7.511 1.00 0.00 C ATOM 1097 OD1 ASP A 74 -1.352 -10.370 -8.760 1.00 0.00 O ATOM 1098 OD2 ASP A 74 -1.058 -11.259 -6.751 1.00 0.00 O ATOM 0 H ASP A 74 -2.779 -8.324 -8.834 1.00 0.00 H new ATOM 0 HA ASP A 74 -1.301 -6.815 -7.133 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -1.195 -8.934 -5.858 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -2.732 -8.889 -6.700 1.00 0.00 H new ATOM 1103 N ARG A 75 0.840 -7.923 -9.115 1.00 0.00 N ATOM 1104 CA ARG A 75 2.276 -7.969 -9.362 1.00 0.00 C ATOM 1105 C ARG A 75 2.669 -7.407 -10.734 1.00 0.00 C ATOM 1106 O ARG A 75 3.751 -7.714 -11.233 1.00 0.00 O ATOM 1107 CB ARG A 75 2.721 -9.420 -9.220 1.00 0.00 C ATOM 1108 CG ARG A 75 4.177 -9.521 -8.782 1.00 0.00 C ATOM 1109 CD ARG A 75 4.488 -10.991 -8.538 1.00 0.00 C ATOM 1110 NE ARG A 75 4.611 -11.735 -9.795 1.00 0.00 N ATOM 1111 CZ ARG A 75 5.071 -12.987 -9.874 1.00 0.00 C ATOM 1112 NH1 ARG A 75 5.458 -13.637 -8.779 1.00 0.00 N ATOM 1113 NH2 ARG A 75 5.146 -13.597 -11.055 1.00 0.00 N ATOM 0 H ARG A 75 0.266 -7.962 -9.957 1.00 0.00 H new ATOM 0 HA ARG A 75 2.779 -7.331 -8.635 1.00 0.00 H new ATOM 0 HB2 ARG A 75 2.086 -9.926 -8.493 1.00 0.00 H new ATOM 0 HB3 ARG A 75 2.590 -9.936 -10.171 1.00 0.00 H new ATOM 0 HG2 ARG A 75 4.836 -9.113 -9.549 1.00 0.00 H new ATOM 0 HG3 ARG A 75 4.345 -8.939 -7.875 1.00 0.00 H new ATOM 0 HD2 ARG A 75 5.415 -11.078 -7.972 1.00 0.00 H new ATOM 0 HD3 ARG A 75 3.700 -11.433 -7.929 1.00 0.00 H new ATOM 0 HE ARG A 75 4.329 -11.271 -10.658 1.00 0.00 H new ATOM 0 HH11 ARG A 75 5.405 -13.180 -7.869 1.00 0.00 H new ATOM 0 HH12 ARG A 75 5.808 -14.593 -8.850 1.00 0.00 H new ATOM 0 HH21 ARG A 75 4.852 -13.109 -11.901 1.00 0.00 H new ATOM 0 HH22 ARG A 75 5.497 -14.553 -11.114 1.00 0.00 H new ATOM 1127 N GLU A 76 1.811 -6.590 -11.355 1.00 0.00 N ATOM 1128 CA GLU A 76 2.103 -6.013 -12.667 1.00 0.00 C ATOM 1129 C GLU A 76 3.206 -4.952 -12.598 1.00 0.00 C ATOM 1130 O GLU A 76 3.965 -4.873 -11.633 1.00 0.00 O ATOM 1131 CB GLU A 76 0.839 -5.422 -13.297 1.00 0.00 C ATOM 1132 CG GLU A 76 -0.257 -6.469 -13.433 1.00 0.00 C ATOM 1133 CD GLU A 76 0.243 -7.755 -14.089 1.00 0.00 C ATOM 1134 OE1 GLU A 76 0.655 -7.678 -15.269 1.00 0.00 O ATOM 1135 OE2 GLU A 76 0.208 -8.804 -13.409 1.00 0.00 O ATOM 0 H GLU A 76 0.908 -6.315 -10.968 1.00 0.00 H new ATOM 0 HA GLU A 76 2.466 -6.825 -13.297 1.00 0.00 H new ATOM 0 HB2 GLU A 76 0.479 -4.594 -12.686 1.00 0.00 H new ATOM 0 HB3 GLU A 76 1.077 -5.013 -14.279 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -0.659 -6.700 -12.447 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -1.076 -6.058 -14.023 1.00 0.00 H new ATOM 1142 N SER A 77 3.292 -4.128 -13.644 1.00 0.00 N ATOM 1143 CA SER A 77 4.350 -3.135 -13.804 1.00 0.00 C ATOM 1144 C SER A 77 3.813 -1.863 -14.465 1.00 0.00 C ATOM 1145 O SER A 77 2.627 -1.780 -14.786 1.00 0.00 O ATOM 1146 CB SER A 77 5.469 -3.756 -14.645 1.00 0.00 C ATOM 1147 OG SER A 77 6.578 -2.884 -14.731 1.00 0.00 O ATOM 0 H SER A 77 2.620 -4.133 -14.411 1.00 0.00 H new ATOM 0 HA SER A 77 4.737 -2.849 -12.826 1.00 0.00 H new ATOM 0 HB2 SER A 77 5.779 -4.703 -14.203 1.00 0.00 H new ATOM 0 HB3 SER A 77 5.097 -3.978 -15.645 1.00 0.00 H new ATOM 0 HG SER A 77 6.750 -2.486 -13.852 1.00 0.00 H new ATOM 1153 N MET A 78 4.687 -0.872 -14.666 1.00 0.00 N ATOM 1154 CA MET A 78 4.339 0.393 -15.305 1.00 0.00 C ATOM 1155 C MET A 78 5.257 0.688 -16.493 1.00 0.00 C ATOM 1156 O MET A 78 5.011 1.646 -17.226 1.00 0.00 O ATOM 1157 CB MET A 78 4.420 1.539 -14.291 1.00 0.00 C ATOM 1158 CG MET A 78 3.277 1.502 -13.280 1.00 0.00 C ATOM 1159 SD MET A 78 3.358 2.862 -12.083 1.00 0.00 S ATOM 1160 CE MET A 78 1.803 2.595 -11.192 1.00 0.00 C ATOM 0 H MET A 78 5.666 -0.930 -14.385 1.00 0.00 H new ATOM 0 HA MET A 78 3.317 0.308 -15.675 1.00 0.00 H new ATOM 0 HB2 MET A 78 5.372 1.486 -13.762 1.00 0.00 H new ATOM 0 HB3 MET A 78 4.402 2.491 -14.821 1.00 0.00 H new ATOM 0 HG2 MET A 78 2.326 1.547 -13.811 1.00 0.00 H new ATOM 0 HG3 MET A 78 3.300 0.552 -12.746 1.00 0.00 H new ATOM 0 HE1 MET A 78 1.911 2.936 -10.162 1.00 0.00 H new ATOM 0 HE2 MET A 78 1.004 3.155 -11.678 1.00 0.00 H new ATOM 0 HE3 MET A 78 1.557 1.533 -11.199 1.00 0.00 H new ATOM 1170 N GLY A 79 6.308 -0.116 -16.696 1.00 0.00 N ATOM 1171 CA GLY A 79 7.185 0.029 -17.853 1.00 0.00 C ATOM 1172 C GLY A 79 8.646 0.296 -17.488 1.00 0.00 C ATOM 1173 O GLY A 79 9.489 0.359 -18.382 1.00 0.00 O ATOM 0 H GLY A 79 6.568 -0.876 -16.067 1.00 0.00 H new ATOM 0 HA2 GLY A 79 7.130 -0.878 -18.455 1.00 0.00 H new ATOM 0 HA3 GLY A 79 6.820 0.847 -18.474 1.00 0.00 H new ATOM 1177 N HIS A 80 8.961 0.451 -16.198 1.00 0.00 N ATOM 1178 CA HIS A 80 10.327 0.733 -15.768 1.00 0.00 C ATOM 1179 C HIS A 80 10.641 0.113 -14.404 1.00 0.00 C ATOM 1180 O HIS A 80 11.809 -0.082 -14.072 1.00 0.00 O ATOM 1181 CB HIS A 80 10.510 2.251 -15.718 1.00 0.00 C ATOM 1182 CG HIS A 80 11.913 2.671 -15.371 1.00 0.00 C ATOM 1183 ND1 HIS A 80 12.278 3.589 -14.412 1.00 0.00 N ATOM 1184 CD2 HIS A 80 13.065 2.212 -15.951 1.00 0.00 C ATOM 1185 CE1 HIS A 80 13.620 3.677 -14.422 1.00 0.00 C ATOM 1186 NE2 HIS A 80 14.149 2.855 -15.344 1.00 0.00 N ATOM 0 H HIS A 80 8.286 0.385 -15.436 1.00 0.00 H new ATOM 0 HA HIS A 80 11.020 0.286 -16.481 1.00 0.00 H new ATOM 0 HB2 HIS A 80 10.240 2.674 -16.686 1.00 0.00 H new ATOM 0 HB3 HIS A 80 9.821 2.669 -14.984 1.00 0.00 H new ATOM 0 HD2 HIS A 80 13.126 1.479 -16.742 1.00 0.00 H new ATOM 0 HE1 HIS A 80 14.196 4.322 -13.775 1.00 0.00 H new ATOM 0 HE2 HIS A 80 15.138 2.726 -15.557 1.00 0.00 H new ATOM 1194 N ARG A 81 9.609 -0.198 -13.611 1.00 0.00 N ATOM 1195 CA ARG A 81 9.767 -0.840 -12.313 1.00 0.00 C ATOM 1196 C ARG A 81 8.445 -1.509 -11.946 1.00 0.00 C ATOM 1197 O ARG A 81 7.396 -1.069 -12.413 1.00 0.00 O ATOM 1198 CB ARG A 81 10.171 0.224 -11.286 1.00 0.00 C ATOM 1199 CG ARG A 81 10.594 -0.390 -9.951 1.00 0.00 C ATOM 1200 CD ARG A 81 11.845 -1.257 -10.116 1.00 0.00 C ATOM 1201 NE ARG A 81 12.273 -1.824 -8.833 1.00 0.00 N ATOM 1202 CZ ARG A 81 13.544 -2.107 -8.528 1.00 0.00 C ATOM 1203 NH1 ARG A 81 14.525 -1.869 -9.397 1.00 0.00 N ATOM 1204 NH2 ARG A 81 13.844 -2.633 -7.345 1.00 0.00 N ATOM 0 H ARG A 81 8.638 -0.008 -13.859 1.00 0.00 H new ATOM 0 HA ARG A 81 10.545 -1.603 -12.334 1.00 0.00 H new ATOM 0 HB2 ARG A 81 10.992 0.819 -11.686 1.00 0.00 H new ATOM 0 HB3 ARG A 81 9.335 0.904 -11.122 1.00 0.00 H new ATOM 0 HG2 ARG A 81 10.789 0.402 -9.228 1.00 0.00 H new ATOM 0 HG3 ARG A 81 9.780 -0.993 -9.550 1.00 0.00 H new ATOM 0 HD2 ARG A 81 11.642 -2.062 -10.822 1.00 0.00 H new ATOM 0 HD3 ARG A 81 12.652 -0.658 -10.539 1.00 0.00 H new ATOM 0 HE ARG A 81 11.558 -2.014 -8.131 1.00 0.00 H new ATOM 0 HH11 ARG A 81 14.312 -1.466 -10.309 1.00 0.00 H new ATOM 0 HH12 ARG A 81 15.490 -2.090 -9.150 1.00 0.00 H new ATOM 0 HH21 ARG A 81 13.104 -2.821 -6.668 1.00 0.00 H new ATOM 0 HH22 ARG A 81 14.814 -2.848 -7.114 1.00 0.00 H new ATOM 1218 N TYR A 82 8.479 -2.562 -11.122 1.00 0.00 N ATOM 1219 CA TYR A 82 7.272 -3.334 -10.869 1.00 0.00 C ATOM 1220 C TYR A 82 6.468 -2.820 -9.682 1.00 0.00 C ATOM 1221 O TYR A 82 6.977 -2.106 -8.815 1.00 0.00 O ATOM 1222 CB TYR A 82 7.564 -4.843 -10.902 1.00 0.00 C ATOM 1223 CG TYR A 82 7.710 -5.625 -9.610 1.00 0.00 C ATOM 1224 CD1 TYR A 82 8.929 -5.655 -8.908 1.00 0.00 C ATOM 1225 CD2 TYR A 82 6.608 -6.351 -9.126 1.00 0.00 C ATOM 1226 CE1 TYR A 82 9.057 -6.462 -7.771 1.00 0.00 C ATOM 1227 CE2 TYR A 82 6.726 -7.136 -7.970 1.00 0.00 C ATOM 1228 CZ TYR A 82 7.960 -7.206 -7.295 1.00 0.00 C ATOM 1229 OH TYR A 82 8.092 -7.989 -6.186 1.00 0.00 O ATOM 0 H TYR A 82 9.312 -2.889 -10.632 1.00 0.00 H new ATOM 0 HA TYR A 82 6.578 -3.174 -11.694 1.00 0.00 H new ATOM 0 HB2 TYR A 82 6.765 -5.313 -11.475 1.00 0.00 H new ATOM 0 HB3 TYR A 82 8.485 -4.981 -11.468 1.00 0.00 H new ATOM 0 HD1 TYR A 82 9.763 -5.058 -9.245 1.00 0.00 H new ATOM 0 HD2 TYR A 82 5.664 -6.304 -9.648 1.00 0.00 H new ATOM 0 HE1 TYR A 82 10.004 -6.514 -7.255 1.00 0.00 H new ATOM 0 HE2 TYR A 82 5.873 -7.685 -7.599 1.00 0.00 H new ATOM 0 HH TYR A 82 7.205 -8.252 -5.864 1.00 0.00 H new ATOM 1239 N ILE A 83 5.191 -3.204 -9.668 1.00 0.00 N ATOM 1240 CA ILE A 83 4.217 -2.752 -8.693 1.00 0.00 C ATOM 1241 C ILE A 83 3.579 -3.984 -8.077 1.00 0.00 C ATOM 1242 O ILE A 83 3.659 -5.077 -8.635 1.00 0.00 O ATOM 1243 CB ILE A 83 3.107 -1.922 -9.356 1.00 0.00 C ATOM 1244 CG1 ILE A 83 3.582 -1.041 -10.516 1.00 0.00 C ATOM 1245 CG2 ILE A 83 2.394 -1.059 -8.308 1.00 0.00 C ATOM 1246 CD1 ILE A 83 4.557 0.051 -10.091 1.00 0.00 C ATOM 0 H ILE A 83 4.803 -3.853 -10.353 1.00 0.00 H new ATOM 0 HA ILE A 83 4.718 -2.132 -7.950 1.00 0.00 H new ATOM 0 HB ILE A 83 2.418 -2.647 -9.790 1.00 0.00 H new ATOM 0 HG12 ILE A 83 4.059 -1.670 -11.268 1.00 0.00 H new ATOM 0 HG13 ILE A 83 2.716 -0.579 -10.989 1.00 0.00 H new ATOM 0 HG21 ILE A 83 1.610 -0.475 -8.790 1.00 0.00 H new ATOM 0 HG22 ILE A 83 1.952 -1.702 -7.547 1.00 0.00 H new ATOM 0 HG23 ILE A 83 3.113 -0.385 -7.841 1.00 0.00 H new ATOM 0 HD11 ILE A 83 4.851 0.636 -10.963 1.00 0.00 H new ATOM 0 HD12 ILE A 83 4.077 0.703 -9.362 1.00 0.00 H new ATOM 0 HD13 ILE A 83 5.441 -0.404 -9.644 1.00 0.00 H new ATOM 1258 N GLU A 84 2.941 -3.814 -6.925 1.00 0.00 N ATOM 1259 CA GLU A 84 2.298 -4.920 -6.255 1.00 0.00 C ATOM 1260 C GLU A 84 1.063 -4.458 -5.506 1.00 0.00 C ATOM 1261 O GLU A 84 0.910 -3.281 -5.186 1.00 0.00 O ATOM 1262 CB GLU A 84 3.283 -5.531 -5.265 1.00 0.00 C ATOM 1263 CG GLU A 84 4.170 -6.564 -5.955 1.00 0.00 C ATOM 1264 CD GLU A 84 5.096 -7.247 -4.953 1.00 0.00 C ATOM 1265 OE1 GLU A 84 5.388 -6.603 -3.923 1.00 0.00 O ATOM 1266 OE2 GLU A 84 5.501 -8.398 -5.226 1.00 0.00 O ATOM 0 H GLU A 84 2.859 -2.919 -6.442 1.00 0.00 H new ATOM 0 HA GLU A 84 1.994 -5.655 -7.001 1.00 0.00 H new ATOM 0 HB2 GLU A 84 3.901 -4.747 -4.829 1.00 0.00 H new ATOM 0 HB3 GLU A 84 2.739 -6.001 -4.446 1.00 0.00 H new ATOM 0 HG2 GLU A 84 3.548 -7.311 -6.448 1.00 0.00 H new ATOM 0 HG3 GLU A 84 4.762 -6.079 -6.731 1.00 0.00 H new ATOM 1273 N VAL A 85 0.182 -5.420 -5.234 1.00 0.00 N ATOM 1274 CA VAL A 85 -1.023 -5.210 -4.457 1.00 0.00 C ATOM 1275 C VAL A 85 -1.197 -6.444 -3.587 1.00 0.00 C ATOM 1276 O VAL A 85 -0.753 -7.530 -3.952 1.00 0.00 O ATOM 1277 CB VAL A 85 -2.251 -5.033 -5.360 1.00 0.00 C ATOM 1278 CG1 VAL A 85 -3.404 -4.426 -4.563 1.00 0.00 C ATOM 1279 CG2 VAL A 85 -1.957 -4.124 -6.549 1.00 0.00 C ATOM 0 H VAL A 85 0.294 -6.381 -5.556 1.00 0.00 H new ATOM 0 HA VAL A 85 -0.933 -4.302 -3.861 1.00 0.00 H new ATOM 0 HB VAL A 85 -2.519 -6.022 -5.732 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -4.271 -4.304 -5.212 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -3.661 -5.086 -3.735 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -3.104 -3.454 -4.172 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -2.853 -4.026 -7.162 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -1.654 -3.141 -6.189 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -1.154 -4.555 -7.147 1.00 0.00 H new ATOM 1289 N PHE A 86 -1.842 -6.286 -2.437 1.00 0.00 N ATOM 1290 CA PHE A 86 -2.087 -7.407 -1.548 1.00 0.00 C ATOM 1291 C PHE A 86 -3.309 -7.074 -0.708 1.00 0.00 C ATOM 1292 O PHE A 86 -3.569 -5.905 -0.430 1.00 0.00 O ATOM 1293 CB PHE A 86 -0.834 -7.629 -0.699 1.00 0.00 C ATOM 1294 CG PHE A 86 -0.764 -8.933 0.060 1.00 0.00 C ATOM 1295 CD1 PHE A 86 -1.361 -9.020 1.322 1.00 0.00 C ATOM 1296 CD2 PHE A 86 -0.103 -10.050 -0.481 1.00 0.00 C ATOM 1297 CE1 PHE A 86 -1.289 -10.206 2.062 1.00 0.00 C ATOM 1298 CE2 PHE A 86 -0.031 -11.236 0.261 1.00 0.00 C ATOM 1299 CZ PHE A 86 -0.623 -11.318 1.529 1.00 0.00 C ATOM 0 H PHE A 86 -2.203 -5.393 -2.102 1.00 0.00 H new ATOM 0 HA PHE A 86 -2.288 -8.332 -2.089 1.00 0.00 H new ATOM 0 HB2 PHE A 86 0.037 -7.565 -1.351 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -0.757 -6.811 0.017 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -1.882 -8.166 1.729 1.00 0.00 H new ATOM 0 HD2 PHE A 86 0.346 -9.994 -1.462 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -1.745 -10.264 3.039 1.00 0.00 H new ATOM 0 HE2 PHE A 86 0.484 -12.093 -0.147 1.00 0.00 H new ATOM 0 HZ PHE A 86 -0.566 -12.237 2.094 1.00 0.00 H new ATOM 1309 N LYS A 87 -4.067 -8.088 -0.299 1.00 0.00 N ATOM 1310 CA LYS A 87 -5.321 -7.847 0.388 1.00 0.00 C ATOM 1311 C LYS A 87 -5.063 -7.325 1.798 1.00 0.00 C ATOM 1312 O LYS A 87 -4.053 -7.655 2.417 1.00 0.00 O ATOM 1313 CB LYS A 87 -6.148 -9.131 0.367 1.00 0.00 C ATOM 1314 CG LYS A 87 -7.623 -8.800 0.571 1.00 0.00 C ATOM 1315 CD LYS A 87 -8.466 -10.072 0.469 1.00 0.00 C ATOM 1316 CE LYS A 87 -9.957 -9.737 0.405 1.00 0.00 C ATOM 1317 NZ LYS A 87 -10.424 -9.056 1.629 1.00 0.00 N ATOM 0 H LYS A 87 -3.834 -9.072 -0.432 1.00 0.00 H new ATOM 0 HA LYS A 87 -5.895 -7.073 -0.121 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -6.010 -9.648 -0.583 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -5.806 -9.807 1.150 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -7.768 -8.336 1.546 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -7.949 -8.078 -0.178 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -8.177 -10.634 -0.419 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -8.270 -10.713 1.329 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -10.149 -9.101 -0.459 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -10.529 -10.654 0.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -11.452 -8.908 1.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -10.203 -9.643 2.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -9.946 -8.137 1.719 1.00 0.00 H new ATOM 1331 N SER A 88 -5.980 -6.506 2.308 1.00 0.00 N ATOM 1332 CA SER A 88 -5.820 -5.863 3.606 1.00 0.00 C ATOM 1333 C SER A 88 -7.146 -5.817 4.362 1.00 0.00 C ATOM 1334 O SER A 88 -8.110 -6.477 3.977 1.00 0.00 O ATOM 1335 CB SER A 88 -5.229 -4.466 3.405 1.00 0.00 C ATOM 1336 OG SER A 88 -4.809 -3.935 4.645 1.00 0.00 O ATOM 0 H SER A 88 -6.852 -6.271 1.833 1.00 0.00 H new ATOM 0 HA SER A 88 -5.132 -6.446 4.218 1.00 0.00 H new ATOM 0 HB2 SER A 88 -4.385 -4.515 2.717 1.00 0.00 H new ATOM 0 HB3 SER A 88 -5.972 -3.810 2.952 1.00 0.00 H new ATOM 0 HG SER A 88 -4.431 -3.042 4.507 1.00 0.00 H new ATOM 1342 N HIS A 89 -7.196 -5.032 5.443 1.00 0.00 N ATOM 1343 CA HIS A 89 -8.343 -4.987 6.334 1.00 0.00 C ATOM 1344 C HIS A 89 -8.567 -3.584 6.896 1.00 0.00 C ATOM 1345 O HIS A 89 -9.720 -3.178 7.010 1.00 0.00 O ATOM 1346 CB HIS A 89 -8.130 -6.004 7.465 1.00 0.00 C ATOM 1347 CG HIS A 89 -6.750 -5.984 8.079 1.00 0.00 C ATOM 1348 ND1 HIS A 89 -5.565 -6.254 7.443 1.00 0.00 N flip ATOM 1349 CD2 HIS A 89 -6.444 -5.697 9.390 1.00 0.00 C flip ATOM 1350 CE1 HIS A 89 -4.527 -6.124 8.367 1.00 0.00 C flip ATOM 1351 NE2 HIS A 89 -5.108 -5.788 9.528 1.00 0.00 N flip ATOM 0 H HIS A 89 -6.436 -4.411 5.719 1.00 0.00 H new ATOM 0 HA HIS A 89 -9.240 -5.245 5.771 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -8.864 -5.815 8.248 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -8.326 -7.004 7.078 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -7.149 -5.444 10.168 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -3.472 -6.265 8.184 1.00 0.00 H new ATOM 0 HE2 HIS A 89 -4.605 -5.623 10.400 1.00 0.00 H new ATOM 1359 N ARG A 90 -7.472 -2.880 7.230 1.00 0.00 N ATOM 1360 CA ARG A 90 -7.374 -1.468 7.630 1.00 0.00 C ATOM 1361 C ARG A 90 -6.646 -1.292 8.960 1.00 0.00 C ATOM 1362 O ARG A 90 -6.117 -0.213 9.222 1.00 0.00 O ATOM 1363 CB ARG A 90 -8.718 -0.725 7.671 1.00 0.00 C ATOM 1364 CG ARG A 90 -9.526 -1.029 8.938 1.00 0.00 C ATOM 1365 CD ARG A 90 -10.909 -0.389 8.832 1.00 0.00 C ATOM 1366 NE ARG A 90 -11.703 -0.649 10.037 1.00 0.00 N ATOM 1367 CZ ARG A 90 -12.956 -0.215 10.214 1.00 0.00 C ATOM 1368 NH1 ARG A 90 -13.568 0.501 9.276 1.00 0.00 N ATOM 1369 NH2 ARG A 90 -13.603 -0.500 11.341 1.00 0.00 N ATOM 0 H ARG A 90 -6.554 -3.324 7.226 1.00 0.00 H new ATOM 0 HA ARG A 90 -6.785 -1.010 6.836 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -8.537 0.348 7.610 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -9.307 -0.999 6.796 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -9.622 -2.107 9.070 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -9.004 -0.646 9.815 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -10.806 0.686 8.685 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -11.429 -0.781 7.958 1.00 0.00 H new ATOM 0 HE ARG A 90 -11.274 -1.194 10.785 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -13.082 0.726 8.408 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -14.524 0.825 9.424 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -13.144 -1.048 12.068 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -14.558 -0.170 11.478 1.00 0.00 H new ATOM 1383 N THR A 91 -6.609 -2.328 9.804 1.00 0.00 N ATOM 1384 CA THR A 91 -5.962 -2.215 11.106 1.00 0.00 C ATOM 1385 C THR A 91 -4.449 -2.101 10.945 1.00 0.00 C ATOM 1386 O THR A 91 -3.805 -1.340 11.665 1.00 0.00 O ATOM 1387 CB THR A 91 -6.313 -3.428 11.970 1.00 0.00 C ATOM 1388 OG1 THR A 91 -7.714 -3.575 12.030 1.00 0.00 O ATOM 1389 CG2 THR A 91 -5.769 -3.248 13.385 1.00 0.00 C ATOM 0 H THR A 91 -7.016 -3.243 9.608 1.00 0.00 H new ATOM 0 HA THR A 91 -6.324 -1.312 11.598 1.00 0.00 H new ATOM 0 HB THR A 91 -5.864 -4.316 11.524 1.00 0.00 H new ATOM 0 HG1 THR A 91 -7.938 -4.353 12.582 1.00 0.00 H new ATOM 0 HG21 THR A 91 -6.027 -4.119 13.987 1.00 0.00 H new ATOM 0 HG22 THR A 91 -4.685 -3.141 13.347 1.00 0.00 H new ATOM 0 HG23 THR A 91 -6.206 -2.355 13.832 1.00 0.00 H new ATOM 1397 N GLU A 92 -3.875 -2.854 10.002 1.00 0.00 N ATOM 1398 CA GLU A 92 -2.456 -2.749 9.701 1.00 0.00 C ATOM 1399 C GLU A 92 -2.183 -1.410 9.035 1.00 0.00 C ATOM 1400 O GLU A 92 -1.160 -0.787 9.303 1.00 0.00 O ATOM 1401 CB GLU A 92 -2.049 -3.896 8.775 1.00 0.00 C ATOM 1402 CG GLU A 92 -0.542 -3.883 8.529 1.00 0.00 C ATOM 1403 CD GLU A 92 -0.114 -5.085 7.692 1.00 0.00 C ATOM 1404 OE1 GLU A 92 0.026 -6.182 8.278 1.00 0.00 O ATOM 1405 OE2 GLU A 92 0.073 -4.903 6.467 1.00 0.00 O ATOM 0 H GLU A 92 -4.376 -3.540 9.438 1.00 0.00 H new ATOM 0 HA GLU A 92 -1.874 -2.813 10.620 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -2.342 -4.848 9.217 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -2.578 -3.809 7.826 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -0.261 -2.962 8.019 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -0.014 -3.893 9.483 1.00 0.00 H new ATOM 1412 N MET A 93 -3.097 -0.971 8.166 1.00 0.00 N ATOM 1413 CA MET A 93 -2.942 0.287 7.459 1.00 0.00 C ATOM 1414 C MET A 93 -2.852 1.433 8.461 1.00 0.00 C ATOM 1415 O MET A 93 -1.978 2.286 8.337 1.00 0.00 O ATOM 1416 CB MET A 93 -4.117 0.446 6.489 1.00 0.00 C ATOM 1417 CG MET A 93 -4.070 1.766 5.718 1.00 0.00 C ATOM 1418 SD MET A 93 -4.710 3.209 6.609 1.00 0.00 S ATOM 1419 CE MET A 93 -6.462 2.751 6.699 1.00 0.00 C ATOM 0 H MET A 93 -3.954 -1.476 7.940 1.00 0.00 H new ATOM 0 HA MET A 93 -2.019 0.300 6.880 1.00 0.00 H new ATOM 0 HB2 MET A 93 -4.114 -0.384 5.782 1.00 0.00 H new ATOM 0 HB3 MET A 93 -5.053 0.388 7.045 1.00 0.00 H new ATOM 0 HG2 MET A 93 -3.037 1.965 5.434 1.00 0.00 H new ATOM 0 HG3 MET A 93 -4.638 1.649 4.795 1.00 0.00 H new ATOM 0 HE1 MET A 93 -7.065 3.647 6.849 1.00 0.00 H new ATOM 0 HE2 MET A 93 -6.759 2.265 5.770 1.00 0.00 H new ATOM 0 HE3 MET A 93 -6.617 2.066 7.533 1.00 0.00 H new ATOM 1429 N ASP A 94 -3.744 1.460 9.454 1.00 0.00 N ATOM 1430 CA ASP A 94 -3.773 2.528 10.442 1.00 0.00 C ATOM 1431 C ASP A 94 -2.534 2.511 11.331 1.00 0.00 C ATOM 1432 O ASP A 94 -2.108 3.550 11.831 1.00 0.00 O ATOM 1433 CB ASP A 94 -5.015 2.347 11.307 1.00 0.00 C ATOM 1434 CG ASP A 94 -5.235 3.542 12.230 1.00 0.00 C ATOM 1435 OD1 ASP A 94 -5.503 4.643 11.699 1.00 0.00 O ATOM 1436 OD2 ASP A 94 -5.135 3.348 13.462 1.00 0.00 O ATOM 0 H ASP A 94 -4.459 0.746 9.591 1.00 0.00 H new ATOM 0 HA ASP A 94 -3.792 3.485 9.920 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -5.888 2.214 10.668 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -4.915 1.440 11.903 1.00 0.00 H new ATOM 1441 N TRP A 95 -1.955 1.323 11.527 1.00 0.00 N ATOM 1442 CA TRP A 95 -0.809 1.142 12.402 1.00 0.00 C ATOM 1443 C TRP A 95 0.458 1.764 11.817 1.00 0.00 C ATOM 1444 O TRP A 95 1.076 2.616 12.454 1.00 0.00 O ATOM 1445 CB TRP A 95 -0.597 -0.353 12.630 1.00 0.00 C ATOM 1446 CG TRP A 95 0.579 -0.703 13.484 1.00 0.00 C ATOM 1447 CD1 TRP A 95 0.632 -0.613 14.831 1.00 0.00 C ATOM 1448 CD2 TRP A 95 1.888 -1.204 13.072 1.00 0.00 C ATOM 1449 NE1 TRP A 95 1.871 -1.020 15.278 1.00 0.00 N ATOM 1450 CE2 TRP A 95 2.688 -1.397 14.233 1.00 0.00 C ATOM 1451 CE3 TRP A 95 2.478 -1.515 11.833 1.00 0.00 C ATOM 1452 CZ2 TRP A 95 4.002 -1.875 14.169 1.00 0.00 C ATOM 1453 CZ3 TRP A 95 3.800 -1.985 11.756 1.00 0.00 C ATOM 1454 CH2 TRP A 95 4.561 -2.168 12.918 1.00 0.00 C ATOM 0 H TRP A 95 -2.273 0.463 11.080 1.00 0.00 H new ATOM 0 HA TRP A 95 -1.012 1.647 13.346 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -1.495 -0.766 13.089 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -0.481 -0.840 11.662 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -0.175 -0.273 15.463 1.00 0.00 H new ATOM 0 HE1 TRP A 95 2.149 -1.040 16.259 1.00 0.00 H new ATOM 0 HE3 TRP A 95 1.905 -1.390 10.926 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 4.577 -2.016 15.072 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 4.233 -2.207 10.792 1.00 0.00 H new ATOM 0 HH2 TRP A 95 5.575 -2.534 12.850 1.00 0.00 H new ATOM 1465 N VAL A 96 0.852 1.349 10.610 1.00 0.00 N ATOM 1466 CA VAL A 96 2.094 1.819 10.005 1.00 0.00 C ATOM 1467 C VAL A 96 1.970 3.271 9.536 1.00 0.00 C ATOM 1468 O VAL A 96 2.983 3.957 9.408 1.00 0.00 O ATOM 1469 CB VAL A 96 2.503 0.877 8.867 1.00 0.00 C ATOM 1470 CG1 VAL A 96 1.385 0.742 7.852 1.00 0.00 C ATOM 1471 CG2 VAL A 96 3.786 1.339 8.184 1.00 0.00 C ATOM 0 H VAL A 96 0.327 0.689 10.036 1.00 0.00 H new ATOM 0 HA VAL A 96 2.883 1.805 10.757 1.00 0.00 H new ATOM 0 HB VAL A 96 2.695 -0.100 9.309 1.00 0.00 H new ATOM 0 HG11 VAL A 96 1.698 0.069 7.054 1.00 0.00 H new ATOM 0 HG12 VAL A 96 0.497 0.339 8.340 1.00 0.00 H new ATOM 0 HG13 VAL A 96 1.155 1.721 7.432 1.00 0.00 H new ATOM 0 HG21 VAL A 96 4.042 0.645 7.383 1.00 0.00 H new ATOM 0 HG22 VAL A 96 3.638 2.335 7.767 1.00 0.00 H new ATOM 0 HG23 VAL A 96 4.596 1.367 8.913 1.00 0.00 H new ATOM 1481 N LEU A 97 0.747 3.753 9.279 1.00 0.00 N ATOM 1482 CA LEU A 97 0.519 5.148 8.920 1.00 0.00 C ATOM 1483 C LEU A 97 0.886 6.079 10.081 1.00 0.00 C ATOM 1484 O LEU A 97 0.897 7.297 9.910 1.00 0.00 O ATOM 1485 CB LEU A 97 -0.955 5.344 8.536 1.00 0.00 C ATOM 1486 CG LEU A 97 -1.217 5.564 7.041 1.00 0.00 C ATOM 1487 CD1 LEU A 97 -0.451 6.776 6.512 1.00 0.00 C ATOM 1488 CD2 LEU A 97 -0.852 4.332 6.216 1.00 0.00 C ATOM 0 H LEU A 97 -0.102 3.188 9.315 1.00 0.00 H new ATOM 0 HA LEU A 97 1.155 5.398 8.071 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -1.518 4.470 8.862 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -1.347 6.199 9.087 1.00 0.00 H new ATOM 0 HG LEU A 97 -2.286 5.748 6.937 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -0.659 6.903 5.450 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -0.765 7.669 7.053 1.00 0.00 H new ATOM 0 HD13 LEU A 97 0.618 6.622 6.656 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -1.052 4.527 5.162 1.00 0.00 H new ATOM 0 HD22 LEU A 97 0.206 4.106 6.349 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -1.449 3.482 6.547 1.00 0.00 H new ATOM 1500 N LYS A 98 1.184 5.514 11.258 1.00 0.00 N ATOM 1501 CA LYS A 98 1.510 6.260 12.463 1.00 0.00 C ATOM 1502 C LYS A 98 2.666 5.610 13.227 1.00 0.00 C ATOM 1503 O LYS A 98 2.936 5.984 14.367 1.00 0.00 O ATOM 1504 CB LYS A 98 0.264 6.318 13.345 1.00 0.00 C ATOM 1505 CG LYS A 98 -0.866 7.060 12.630 1.00 0.00 C ATOM 1506 CD LYS A 98 -2.014 7.273 13.610 1.00 0.00 C ATOM 1507 CE LYS A 98 -3.175 7.971 12.903 1.00 0.00 C ATOM 1508 NZ LYS A 98 -4.315 8.168 13.817 1.00 0.00 N ATOM 0 H LYS A 98 1.203 4.503 11.394 1.00 0.00 H new ATOM 0 HA LYS A 98 1.828 7.265 12.186 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -0.058 5.307 13.596 1.00 0.00 H new ATOM 0 HB3 LYS A 98 0.499 6.820 14.284 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -0.509 8.019 12.254 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -1.207 6.487 11.768 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -2.344 6.315 14.012 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -1.677 7.874 14.455 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -2.843 8.935 12.518 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -3.492 7.378 12.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -5.088 8.644 13.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -4.645 7.245 14.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -4.017 8.754 14.623 1.00 0.00 H new ATOM 1522 N HIS A 99 3.350 4.642 12.609 1.00 0.00 N ATOM 1523 CA HIS A 99 4.415 3.886 13.257 1.00 0.00 C ATOM 1524 C HIS A 99 5.461 3.439 12.232 1.00 0.00 C ATOM 1525 O HIS A 99 6.010 2.343 12.330 1.00 0.00 O ATOM 1526 CB HIS A 99 3.802 2.696 14.003 1.00 0.00 C ATOM 1527 CG HIS A 99 4.754 2.052 14.977 1.00 0.00 C ATOM 1528 ND1 HIS A 99 5.387 0.840 14.823 1.00 0.00 N ATOM 1529 CD2 HIS A 99 5.149 2.563 16.184 1.00 0.00 C ATOM 1530 CE1 HIS A 99 6.146 0.630 15.913 1.00 0.00 C ATOM 1531 NE2 HIS A 99 6.036 1.656 16.776 1.00 0.00 N ATOM 0 H HIS A 99 3.177 4.364 11.643 1.00 0.00 H new ATOM 0 HA HIS A 99 4.930 4.519 13.979 1.00 0.00 H new ATOM 0 HB2 HIS A 99 2.914 3.030 14.540 1.00 0.00 H new ATOM 0 HB3 HIS A 99 3.475 1.951 13.278 1.00 0.00 H new ATOM 0 HD1 HIS A 99 5.297 0.212 14.024 1.00 0.00 H new ATOM 0 HD2 HIS A 99 4.831 3.504 16.607 1.00 0.00 H new ATOM 0 HE1 HIS A 99 6.760 -0.244 16.074 1.00 0.00 H new ATOM 1539 N SER A 100 5.736 4.296 11.243 1.00 0.00 N ATOM 1540 CA SER A 100 6.703 4.022 10.187 1.00 0.00 C ATOM 1541 C SER A 100 8.057 3.589 10.744 1.00 0.00 C ATOM 1542 O SER A 100 8.441 3.974 11.848 1.00 0.00 O ATOM 1543 CB SER A 100 6.859 5.271 9.320 1.00 0.00 C ATOM 1544 OG SER A 100 7.325 6.358 10.095 1.00 0.00 O ATOM 0 H SER A 100 5.286 5.207 11.157 1.00 0.00 H new ATOM 0 HA SER A 100 6.329 3.193 9.587 1.00 0.00 H new ATOM 0 HB2 SER A 100 7.557 5.071 8.507 1.00 0.00 H new ATOM 0 HB3 SER A 100 5.902 5.526 8.864 1.00 0.00 H new ATOM 0 HG SER A 100 7.421 7.149 9.525 1.00 0.00 H new ATOM 1550 N GLY A 101 8.786 2.782 9.968 1.00 0.00 N ATOM 1551 CA GLY A 101 10.090 2.289 10.374 1.00 0.00 C ATOM 1552 C GLY A 101 10.649 1.193 9.460 1.00 0.00 C ATOM 1553 O GLY A 101 11.812 1.293 9.068 1.00 0.00 O ATOM 0 H GLY A 101 8.485 2.458 9.049 1.00 0.00 H new ATOM 0 HA2 GLY A 101 10.792 3.123 10.398 1.00 0.00 H new ATOM 0 HA3 GLY A 101 10.021 1.901 11.390 1.00 0.00 H new ATOM 1557 N PRO A 102 9.872 0.155 9.107 1.00 0.00 N ATOM 1558 CA PRO A 102 10.356 -0.937 8.276 1.00 0.00 C ATOM 1559 C PRO A 102 10.572 -0.490 6.829 1.00 0.00 C ATOM 1560 O PRO A 102 11.716 -0.652 6.348 1.00 0.00 O ATOM 1561 CB PRO A 102 9.295 -2.032 8.383 1.00 0.00 C ATOM 1562 CG PRO A 102 8.010 -1.258 8.660 1.00 0.00 C ATOM 1563 CD PRO A 102 8.483 -0.061 9.483 1.00 0.00 C ATOM 1564 OXT PRO A 102 9.602 0.008 6.217 1.00 0.00 O ATOM 0 HA PRO A 102 11.329 -1.296 8.611 1.00 0.00 H new ATOM 0 HB2 PRO A 102 9.223 -2.613 7.463 1.00 0.00 H new ATOM 0 HB3 PRO A 102 9.522 -2.733 9.186 1.00 0.00 H new ATOM 0 HG2 PRO A 102 7.525 -0.943 7.736 1.00 0.00 H new ATOM 0 HG3 PRO A 102 7.288 -1.862 9.209 1.00 0.00 H new ATOM 0 HD2 PRO A 102 7.879 0.822 9.272 1.00 0.00 H new ATOM 0 HD3 PRO A 102 8.394 -0.261 10.551 1.00 0.00 H new TER 1572 PRO A 102 ATOM 1573 O5' A B 1 21.756 0.088 -0.209 1.00 0.00 O ATOM 1574 C5' A B 1 20.857 0.168 -1.298 1.00 0.00 C ATOM 1575 C4' A B 1 20.555 -1.234 -1.834 1.00 0.00 C ATOM 1576 O4' A B 1 19.682 -1.877 -0.932 1.00 0.00 O ATOM 1577 C3' A B 1 19.784 -1.116 -3.146 1.00 0.00 C ATOM 1578 O3' A B 1 19.921 -2.255 -4.006 1.00 0.00 O ATOM 1579 C2' A B 1 18.385 -0.812 -2.626 1.00 0.00 C ATOM 1580 O2' A B 1 17.429 -1.235 -3.574 1.00 0.00 O ATOM 1581 C1' A B 1 18.347 -1.548 -1.278 1.00 0.00 C ATOM 1582 N9 A B 1 17.695 -0.907 -0.115 1.00 0.00 N ATOM 1583 C8 A B 1 17.315 -1.563 1.026 1.00 0.00 C ATOM 1584 N7 A B 1 16.726 -0.814 1.915 1.00 0.00 N ATOM 1585 C5 A B 1 16.708 0.441 1.315 1.00 0.00 C ATOM 1586 C6 A B 1 16.184 1.682 1.718 1.00 0.00 C ATOM 1587 N6 A B 1 15.574 1.885 2.889 1.00 0.00 N ATOM 1588 N1 A B 1 16.296 2.721 0.883 1.00 0.00 N ATOM 1589 C2 A B 1 16.903 2.542 -0.280 1.00 0.00 C ATOM 1590 N3 A B 1 17.476 1.450 -0.758 1.00 0.00 N ATOM 1591 C4 A B 1 17.326 0.407 0.090 1.00 0.00 C ATOM 0 H5' A B 1 21.285 0.784 -2.089 1.00 0.00 H new ATOM 0 H5'' A B 1 19.933 0.652 -0.982 1.00 0.00 H new ATOM 0 H4' A B 1 21.491 -1.777 -1.965 1.00 0.00 H new ATOM 0 H3' A B 1 20.146 -0.350 -3.831 1.00 0.00 H new ATOM 0 H2' A B 1 18.152 0.243 -2.480 1.00 0.00 H new ATOM 0 HO2' A B 1 16.682 -0.601 -3.591 1.00 0.00 H new ATOM 0 HO5' A B 1 21.945 0.989 0.126 1.00 0.00 H new ATOM 0 H1' A B 1 17.691 -2.397 -1.469 1.00 0.00 H new ATOM 0 H8 A B 1 17.490 -2.618 1.177 1.00 0.00 H new ATOM 0 H61 A B 1 15.215 2.810 3.123 1.00 0.00 H new ATOM 0 H62 A B 1 15.468 1.115 3.549 1.00 0.00 H new ATOM 0 H2 A B 1 16.935 3.406 -0.927 1.00 0.00 H new ATOM 1604 P G B 2 19.302 -3.746 -3.769 1.00 0.00 P ATOM 1605 OP1 G B 2 19.249 -4.046 -2.322 1.00 0.00 O ATOM 1606 OP2 G B 2 20.041 -4.669 -4.661 1.00 0.00 O ATOM 1607 O5' G B 2 17.788 -3.651 -4.343 1.00 0.00 O ATOM 1608 C5' G B 2 16.766 -4.556 -3.947 1.00 0.00 C ATOM 1609 C4' G B 2 16.161 -4.136 -2.617 1.00 0.00 C ATOM 1610 O4' G B 2 15.328 -3.007 -2.775 1.00 0.00 O ATOM 1611 C3' G B 2 15.224 -5.158 -2.004 1.00 0.00 C ATOM 1612 O3' G B 2 15.857 -6.334 -1.542 1.00 0.00 O ATOM 1613 C2' G B 2 14.673 -4.277 -0.892 1.00 0.00 C ATOM 1614 O2' G B 2 15.604 -4.152 0.166 1.00 0.00 O ATOM 1615 C1' G B 2 14.546 -2.925 -1.599 1.00 0.00 C ATOM 1616 N9 G B 2 13.129 -2.614 -1.876 1.00 0.00 N ATOM 1617 C8 G B 2 12.049 -3.003 -1.135 1.00 0.00 C ATOM 1618 N7 G B 2 10.912 -2.529 -1.552 1.00 0.00 N ATOM 1619 C5 G B 2 11.257 -1.786 -2.673 1.00 0.00 C ATOM 1620 C6 G B 2 10.431 -1.011 -3.536 1.00 0.00 C ATOM 1621 O6 G B 2 9.218 -0.832 -3.478 1.00 0.00 O ATOM 1622 N1 G B 2 11.159 -0.411 -4.547 1.00 0.00 N ATOM 1623 C2 G B 2 12.514 -0.554 -4.727 1.00 0.00 C ATOM 1624 N2 G B 2 13.049 0.082 -5.769 1.00 0.00 N ATOM 1625 N3 G B 2 13.298 -1.283 -3.926 1.00 0.00 N ATOM 1626 C4 G B 2 12.608 -1.865 -2.911 1.00 0.00 C ATOM 0 H5' G B 2 17.177 -5.562 -3.864 1.00 0.00 H new ATOM 0 H5'' G B 2 15.989 -4.591 -4.711 1.00 0.00 H new ATOM 0 H4' G B 2 17.036 -3.973 -1.988 1.00 0.00 H new ATOM 0 H3' G B 2 14.492 -5.596 -2.683 1.00 0.00 H new ATOM 0 H2' G B 2 13.752 -4.663 -0.455 1.00 0.00 H new ATOM 0 HO2' G B 2 15.965 -3.241 0.178 1.00 0.00 H new ATOM 0 H1' G B 2 14.908 -2.108 -0.976 1.00 0.00 H new ATOM 0 H8 G B 2 12.133 -3.650 -0.275 1.00 0.00 H new ATOM 0 H1 G B 2 10.654 0.180 -5.207 1.00 0.00 H new ATOM 0 H21 G B 2 14.050 0.011 -5.951 1.00 0.00 H new ATOM 0 H22 G B 2 12.457 0.640 -6.385 1.00 0.00 H new ATOM 1638 P G B 3 15.030 -7.434 -0.709 1.00 0.00 P ATOM 1639 OP1 G B 3 14.656 -6.846 0.597 1.00 0.00 O ATOM 1640 OP2 G B 3 15.780 -8.710 -0.752 1.00 0.00 O ATOM 1641 O5' G B 3 13.699 -7.598 -1.601 1.00 0.00 O ATOM 1642 C5' G B 3 12.424 -7.699 -0.996 1.00 0.00 C ATOM 1643 C4' G B 3 11.332 -7.793 -2.061 1.00 0.00 C ATOM 1644 O4' G B 3 11.062 -6.529 -2.647 1.00 0.00 O ATOM 1645 C3' G B 3 11.702 -8.765 -3.190 1.00 0.00 C ATOM 1646 O3' G B 3 10.752 -9.811 -3.261 1.00 0.00 O ATOM 1647 C2' G B 3 11.625 -7.877 -4.430 1.00 0.00 C ATOM 1648 O2' G B 3 11.169 -8.574 -5.571 1.00 0.00 O ATOM 1649 C1' G B 3 10.662 -6.789 -3.976 1.00 0.00 C ATOM 1650 N9 G B 3 10.733 -5.590 -4.835 1.00 0.00 N ATOM 1651 C8 G B 3 11.834 -4.976 -5.374 1.00 0.00 C ATOM 1652 N7 G B 3 11.561 -3.942 -6.121 1.00 0.00 N ATOM 1653 C5 G B 3 10.172 -3.874 -6.090 1.00 0.00 C ATOM 1654 C6 G B 3 9.286 -2.990 -6.769 1.00 0.00 C ATOM 1655 O6 G B 3 9.569 -2.039 -7.491 1.00 0.00 O ATOM 1656 N1 G B 3 7.956 -3.304 -6.535 1.00 0.00 N ATOM 1657 C2 G B 3 7.536 -4.265 -5.647 1.00 0.00 C ATOM 1658 N2 G B 3 6.228 -4.349 -5.435 1.00 0.00 N ATOM 1659 N3 G B 3 8.356 -5.096 -5.000 1.00 0.00 N ATOM 1660 C4 G B 3 9.660 -4.855 -5.279 1.00 0.00 C ATOM 0 H5' G B 3 12.247 -6.831 -0.361 1.00 0.00 H new ATOM 0 H5'' G B 3 12.389 -8.578 -0.352 1.00 0.00 H new ATOM 0 H4' G B 3 10.448 -8.161 -1.540 1.00 0.00 H new ATOM 0 H3' G B 3 12.673 -9.244 -3.062 1.00 0.00 H new ATOM 0 H2' G B 3 12.592 -7.492 -4.753 1.00 0.00 H new ATOM 0 HO2' G B 3 10.219 -8.381 -5.714 1.00 0.00 H new ATOM 0 H1' G B 3 9.618 -7.094 -4.042 1.00 0.00 H new ATOM 0 H8 G B 3 12.842 -5.319 -5.195 1.00 0.00 H new ATOM 0 H1 G B 3 7.245 -2.790 -7.054 1.00 0.00 H new ATOM 0 H21 G B 3 5.860 -5.044 -4.786 1.00 0.00 H new ATOM 0 H22 G B 3 5.591 -3.718 -5.921 1.00 0.00 H new ATOM 1672 P G B 4 10.878 -11.100 -2.302 1.00 0.00 P ATOM 1673 OP1 G B 4 12.317 -11.408 -2.132 1.00 0.00 O ATOM 1674 OP2 G B 4 9.972 -12.147 -2.826 1.00 0.00 O ATOM 1675 O5' G B 4 10.307 -10.615 -0.875 1.00 0.00 O ATOM 1676 C5' G B 4 8.915 -10.514 -0.653 1.00 0.00 C ATOM 1677 C4' G B 4 8.624 -10.371 0.844 1.00 0.00 C ATOM 1678 O4' G B 4 8.861 -9.053 1.318 1.00 0.00 O ATOM 1679 C3' G B 4 7.153 -10.684 1.118 1.00 0.00 C ATOM 1680 O3' G B 4 6.989 -11.379 2.342 1.00 0.00 O ATOM 1681 C2' G B 4 6.496 -9.307 1.187 1.00 0.00 C ATOM 1682 O2' G B 4 5.690 -9.190 2.345 1.00 0.00 O ATOM 1683 C1' G B 4 7.655 -8.314 1.247 1.00 0.00 C ATOM 1684 N9 G B 4 7.643 -7.380 0.104 1.00 0.00 N ATOM 1685 C8 G B 4 7.243 -7.614 -1.183 1.00 0.00 C ATOM 1686 N7 G B 4 7.367 -6.586 -1.971 1.00 0.00 N ATOM 1687 C5 G B 4 7.854 -5.581 -1.144 1.00 0.00 C ATOM 1688 C6 G B 4 8.128 -4.212 -1.432 1.00 0.00 C ATOM 1689 O6 G B 4 8.017 -3.611 -2.498 1.00 0.00 O ATOM 1690 N1 G B 4 8.576 -3.530 -0.315 1.00 0.00 N ATOM 1691 C2 G B 4 8.721 -4.084 0.934 1.00 0.00 C ATOM 1692 N2 G B 4 9.143 -3.267 1.898 1.00 0.00 N ATOM 1693 N3 G B 4 8.464 -5.366 1.217 1.00 0.00 N ATOM 1694 C4 G B 4 8.033 -6.058 0.131 1.00 0.00 C ATOM 0 H5' G B 4 8.412 -11.398 -1.045 1.00 0.00 H new ATOM 0 H5'' G B 4 8.515 -9.655 -1.192 1.00 0.00 H new ATOM 0 H4' G B 4 9.291 -11.065 1.356 1.00 0.00 H new ATOM 0 H3' G B 4 6.717 -11.328 0.354 1.00 0.00 H new ATOM 0 H2' G B 4 5.844 -9.129 0.332 1.00 0.00 H new ATOM 0 HO2' G B 4 4.784 -9.507 2.147 1.00 0.00 H new ATOM 0 H1' G B 4 7.557 -7.688 2.134 1.00 0.00 H new ATOM 0 H8 G B 4 6.859 -8.567 -1.515 1.00 0.00 H new ATOM 0 H1 G B 4 8.816 -2.545 -0.427 1.00 0.00 H new ATOM 0 H21 G B 4 9.270 -3.620 2.846 1.00 0.00 H new ATOM 0 H22 G B 4 9.339 -2.288 1.688 1.00 0.00 H new ATOM 1706 P A B 5 7.278 -12.961 2.435 1.00 0.00 P ATOM 1707 OP1 A B 5 7.022 -13.400 3.826 1.00 0.00 O ATOM 1708 OP2 A B 5 8.587 -13.243 1.807 1.00 0.00 O ATOM 1709 O5' A B 5 6.129 -13.573 1.486 1.00 0.00 O ATOM 1710 C5' A B 5 4.829 -13.832 1.977 1.00 0.00 C ATOM 1711 C4' A B 5 3.869 -14.269 0.861 1.00 0.00 C ATOM 1712 O4' A B 5 2.997 -13.202 0.516 1.00 0.00 O ATOM 1713 C3' A B 5 4.583 -14.648 -0.436 1.00 0.00 C ATOM 1714 O3' A B 5 3.688 -15.517 -1.117 1.00 0.00 O ATOM 1715 C2' A B 5 4.747 -13.255 -1.053 1.00 0.00 C ATOM 1716 O2' A B 5 5.047 -13.273 -2.433 1.00 0.00 O ATOM 1717 C1' A B 5 3.383 -12.657 -0.737 1.00 0.00 C ATOM 1718 N9 A B 5 3.348 -11.180 -0.659 1.00 0.00 N ATOM 1719 C8 A B 5 3.428 -10.401 0.465 1.00 0.00 C ATOM 1720 N7 A B 5 3.251 -9.127 0.247 1.00 0.00 N ATOM 1721 C5 A B 5 3.087 -9.052 -1.134 1.00 0.00 C ATOM 1722 C6 A B 5 2.837 -7.987 -2.019 1.00 0.00 C ATOM 1723 N6 A B 5 2.647 -6.726 -1.623 1.00 0.00 N ATOM 1724 N1 A B 5 2.783 -8.243 -3.331 1.00 0.00 N ATOM 1725 C2 A B 5 2.959 -9.487 -3.750 1.00 0.00 C ATOM 1726 N3 A B 5 3.154 -10.581 -3.022 1.00 0.00 N ATOM 1727 C4 A B 5 3.209 -10.292 -1.702 1.00 0.00 C ATOM 0 H5' A B 5 4.439 -12.936 2.461 1.00 0.00 H new ATOM 0 H5'' A B 5 4.878 -14.610 2.739 1.00 0.00 H new ATOM 0 H4' A B 5 3.343 -15.135 1.262 1.00 0.00 H new ATOM 0 H3' A B 5 5.537 -15.174 -0.404 1.00 0.00 H new ATOM 0 H2' A B 5 5.592 -12.689 -0.661 1.00 0.00 H new ATOM 0 HO2' A B 5 5.136 -12.354 -2.760 1.00 0.00 H new ATOM 0 H1' A B 5 2.708 -12.906 -1.555 1.00 0.00 H new ATOM 0 H8 A B 5 3.621 -10.807 1.447 1.00 0.00 H new ATOM 0 H61 A B 5 2.470 -5.996 -2.313 1.00 0.00 H new ATOM 0 H62 A B 5 2.679 -6.493 -0.631 1.00 0.00 H new ATOM 0 H2 A B 5 2.942 -9.630 -4.820 1.00 0.00 H new ATOM 1739 P U B 6 4.045 -16.221 -2.520 1.00 0.00 P ATOM 1740 OP1 U B 6 3.354 -17.531 -2.562 1.00 0.00 O ATOM 1741 OP2 U B 6 5.513 -16.161 -2.719 1.00 0.00 O ATOM 1742 O5' U B 6 3.332 -15.252 -3.590 1.00 0.00 O ATOM 1743 C5' U B 6 3.743 -15.230 -4.940 1.00 0.00 C ATOM 1744 C4' U B 6 3.051 -14.097 -5.704 1.00 0.00 C ATOM 1745 O4' U B 6 1.714 -14.408 -6.071 1.00 0.00 O ATOM 1746 C3' U B 6 3.026 -12.794 -4.902 1.00 0.00 C ATOM 1747 O3' U B 6 4.055 -11.922 -5.328 1.00 0.00 O ATOM 1748 C2' U B 6 1.633 -12.250 -5.184 1.00 0.00 C ATOM 1749 O2' U B 6 1.582 -11.531 -6.399 1.00 0.00 O ATOM 1750 C1' U B 6 0.845 -13.545 -5.356 1.00 0.00 C ATOM 1751 N1 U B 6 0.435 -14.233 -4.106 1.00 0.00 N ATOM 1752 C2 U B 6 -0.237 -15.442 -4.262 1.00 0.00 C ATOM 1753 O2 U B 6 -0.518 -15.909 -5.364 1.00 0.00 O ATOM 1754 N3 U B 6 -0.587 -16.117 -3.105 1.00 0.00 N ATOM 1755 C4 U B 6 -0.348 -15.683 -1.815 1.00 0.00 C ATOM 1756 O4 U B 6 -0.698 -16.362 -0.852 1.00 0.00 O ATOM 1757 C5 U B 6 0.324 -14.407 -1.742 1.00 0.00 C ATOM 1758 C6 U B 6 0.686 -13.729 -2.856 1.00 0.00 C ATOM 0 H5' U B 6 3.511 -16.186 -5.410 1.00 0.00 H new ATOM 0 H5'' U B 6 4.824 -15.102 -4.993 1.00 0.00 H new ATOM 0 H4' U B 6 3.648 -13.971 -6.607 1.00 0.00 H new ATOM 0 H3' U B 6 3.207 -12.923 -3.835 1.00 0.00 H new ATOM 0 H2' U B 6 1.278 -11.567 -4.413 1.00 0.00 H new ATOM 0 HO2' U B 6 0.674 -11.572 -6.765 1.00 0.00 H new ATOM 0 HO3' U B 6 4.005 -11.085 -4.821 1.00 0.00 H new ATOM 0 H1' U B 6 -0.094 -13.299 -5.852 1.00 0.00 H new ATOM 0 H3 U B 6 -1.063 -17.013 -3.214 1.00 0.00 H new ATOM 0 H5 U B 6 0.543 -13.983 -0.773 1.00 0.00 H new ATOM 0 H6 U B 6 1.181 -12.774 -2.759 1.00 0.00 H new TER 1770 U B 6