USER MOD reduce.3.24.130724 H: found=0, std=0, add=842, rem=0, adj=34 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 177:sc= -0.391 USER MOD Set 1.2: B 6 U O3' : rot -176:sc= 1.07 USER MOD Set 2.1: A 34 CYS SG : rot -120:sc= 0.427 USER MOD Set 2.2: A 69 MET CE :methyl -179:sc= -0.59 (180deg=-0.595) USER MOD Single : A 1 MET CE :methyl -168:sc= -0.0137 (180deg=-0.226) USER MOD Single : A 1 MET N :NH3+ -129:sc= 0.0501 (180deg=-0.255) USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ -173:sc= 1.18 (180deg=0.986) USER MOD Single : A 21 SER OG : rot -72:sc= 0.00238 USER MOD Single : A 22 CYS SG : rot 180:sc= -0.566 USER MOD Single : A 23 SER OG : rot -68:sc= 1.24 USER MOD Single : A 28 GLN : amide:sc= 0.562 K(o=0.56,f=-0.04) USER MOD Single : A 29 ASN : amide:sc= 1.11 K(o=1.1,f=-0.0045) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 HIS : no HE2:sc= 0.705 K(o=0.7,f=-2.5!) USER MOD Single : A 44 HIS : no HD1:sc= -0.28 X(o=-0.28,f=-0.1) 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= 0.137 K(o=0.14,f=-3.5!) USER MOD Single : A 54 SER OG : rot -60:sc= 0.19 USER MOD Single : A 63 SER OG : rot 180:sc=-0.00871 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ -167:sc= 1.5 (180deg=1.44) USER MOD Single : A 77 SER OG : rot 47:sc= 0.897 USER MOD Single : A 78 MET CE :methyl 163:sc= -0.978 (180deg=-1.77) USER MOD Single : A 80 HIS : no HD1:sc= -0.341 X(o=-0.34,f=-0.34) USER MOD Single : A 82 TYR OH : rot -31:sc= 1.14 USER MOD Single : A 87 LYS NZ :NH3+ -174:sc= 0.882 (180deg=0.862) USER MOD Single : A 88 SER OG : rot 180:sc= 0.0585 USER MOD Single : A 89 HIS : no HD1:sc= -0.509 K(o=-0.51,f=-1.6) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 MET CE :methyl -164:sc= -0.597 (180deg=-1.01) USER MOD Single : A 98 LYS NZ :NH3+ 173:sc= 0.9 (180deg=0.759) USER MOD Single : A 99 HIS : no HE2:sc= 0.909 K(o=0.91,f=-3.6!) USER MOD Single : A 100 SER OG : rot -18:sc= 1.23 USER MOD Single : B 1 A O2' : rot 141:sc= 0.618 USER MOD Single : B 1 A O5' : rot 180:sc= 0 USER MOD Single : B 2 G O2' : rot -2:sc= 0.207 USER MOD Single : B 3 G O2' : rot 16:sc= 0.243 USER MOD Single : B 4 G O2' : rot -87:sc= 1.36 USER MOD Single : B 6 U O2' : rot 76:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.892 -22.270 5.139 1.00 0.00 N ATOM 2 CA MET A 1 2.104 -21.052 4.872 1.00 0.00 C ATOM 3 C MET A 1 0.621 -21.391 4.753 1.00 0.00 C ATOM 4 O MET A 1 0.263 -22.550 4.553 1.00 0.00 O ATOM 5 CB MET A 1 2.586 -20.341 3.602 1.00 0.00 C ATOM 6 CG MET A 1 4.035 -19.870 3.752 1.00 0.00 C ATOM 7 SD MET A 1 4.656 -18.898 2.353 1.00 0.00 S ATOM 8 CE MET A 1 4.583 -20.148 1.042 1.00 0.00 C ATOM 0 H1 MET A 1 3.509 -22.111 5.961 1.00 0.00 H new ATOM 0 H2 MET A 1 2.249 -23.063 5.337 1.00 0.00 H new ATOM 0 H3 MET A 1 3.474 -22.496 4.307 1.00 0.00 H new ATOM 0 HA MET A 1 2.247 -20.374 5.714 1.00 0.00 H new ATOM 0 HB2 MET A 1 2.506 -21.017 2.750 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.942 -19.487 3.393 1.00 0.00 H new ATOM 0 HG2 MET A 1 4.118 -19.272 4.659 1.00 0.00 H new ATOM 0 HG3 MET A 1 4.676 -20.742 3.886 1.00 0.00 H new ATOM 0 HE1 MET A 1 5.125 -19.789 0.167 1.00 0.00 H new ATOM 0 HE2 MET A 1 5.037 -21.073 1.396 1.00 0.00 H new ATOM 0 HE3 MET A 1 3.543 -20.334 0.774 1.00 0.00 H new ATOM 18 N MET A 2 -0.239 -20.377 4.875 1.00 0.00 N ATOM 19 CA MET A 2 -1.682 -20.541 4.770 1.00 0.00 C ATOM 20 C MET A 2 -2.306 -19.241 4.267 1.00 0.00 C ATOM 21 O MET A 2 -1.754 -18.163 4.479 1.00 0.00 O ATOM 22 CB MET A 2 -2.236 -20.912 6.150 1.00 0.00 C ATOM 23 CG MET A 2 -3.744 -21.159 6.118 1.00 0.00 C ATOM 24 SD MET A 2 -4.263 -22.463 4.972 1.00 0.00 S ATOM 25 CE MET A 2 -6.048 -22.413 5.277 1.00 0.00 C ATOM 0 H MET A 2 0.053 -19.415 5.050 1.00 0.00 H new ATOM 0 HA MET A 2 -1.925 -21.334 4.063 1.00 0.00 H new ATOM 0 HB2 MET A 2 -1.730 -21.806 6.514 1.00 0.00 H new ATOM 0 HB3 MET A 2 -2.015 -20.111 6.856 1.00 0.00 H new ATOM 0 HG2 MET A 2 -4.079 -21.420 7.122 1.00 0.00 H new ATOM 0 HG3 MET A 2 -4.246 -20.231 5.845 1.00 0.00 H new ATOM 0 HE1 MET A 2 -6.545 -23.156 4.653 1.00 0.00 H new ATOM 0 HE2 MET A 2 -6.244 -22.631 6.327 1.00 0.00 H new ATOM 0 HE3 MET A 2 -6.431 -21.422 5.035 1.00 0.00 H new ATOM 35 N LEU A 3 -3.459 -19.344 3.598 1.00 0.00 N ATOM 36 CA LEU A 3 -4.158 -18.194 3.041 1.00 0.00 C ATOM 37 C LEU A 3 -5.641 -18.504 2.840 1.00 0.00 C ATOM 38 O LEU A 3 -6.066 -19.652 2.966 1.00 0.00 O ATOM 39 CB LEU A 3 -3.512 -17.781 1.710 1.00 0.00 C ATOM 40 CG LEU A 3 -3.796 -18.729 0.535 1.00 0.00 C ATOM 41 CD1 LEU A 3 -3.174 -18.136 -0.727 1.00 0.00 C ATOM 42 CD2 LEU A 3 -3.212 -20.127 0.739 1.00 0.00 C ATOM 0 H LEU A 3 -3.931 -20.233 3.430 1.00 0.00 H new ATOM 0 HA LEU A 3 -4.078 -17.366 3.745 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -3.862 -16.783 1.446 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -2.433 -17.713 1.851 1.00 0.00 H new ATOM 0 HG LEU A 3 -4.878 -18.830 0.455 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -3.366 -18.797 -1.572 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -3.613 -17.158 -0.924 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -2.098 -18.029 -0.587 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -3.447 -20.749 -0.125 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -2.130 -20.056 0.852 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -3.642 -20.574 1.635 1.00 0.00 H new ATOM 54 N GLY A 4 -6.427 -17.471 2.525 1.00 0.00 N ATOM 55 CA GLY A 4 -7.848 -17.611 2.252 1.00 0.00 C ATOM 56 C GLY A 4 -8.507 -16.244 2.082 1.00 0.00 C ATOM 57 O GLY A 4 -7.870 -15.217 2.319 1.00 0.00 O ATOM 0 H GLY A 4 -6.088 -16.512 2.453 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -7.992 -18.204 1.349 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -8.328 -18.152 3.068 1.00 0.00 H new ATOM 61 N PRO A 5 -9.784 -16.218 1.673 1.00 0.00 N ATOM 62 CA PRO A 5 -10.563 -15.000 1.505 1.00 0.00 C ATOM 63 C PRO A 5 -10.580 -14.122 2.756 1.00 0.00 C ATOM 64 O PRO A 5 -10.818 -12.919 2.664 1.00 0.00 O ATOM 65 CB PRO A 5 -11.979 -15.470 1.164 1.00 0.00 C ATOM 66 CG PRO A 5 -11.765 -16.854 0.553 1.00 0.00 C ATOM 67 CD PRO A 5 -10.570 -17.389 1.335 1.00 0.00 C ATOM 0 HA PRO A 5 -10.124 -14.376 0.726 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -12.610 -15.518 2.052 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -12.467 -14.794 0.462 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -12.643 -17.489 0.672 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -11.556 -16.796 -0.515 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -10.891 -17.920 2.231 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -9.991 -18.093 0.737 1.00 0.00 H new ATOM 75 N GLU A 6 -10.328 -14.718 3.926 1.00 0.00 N ATOM 76 CA GLU A 6 -10.316 -14.016 5.203 1.00 0.00 C ATOM 77 C GLU A 6 -9.122 -13.067 5.343 1.00 0.00 C ATOM 78 O GLU A 6 -8.948 -12.454 6.394 1.00 0.00 O ATOM 79 CB GLU A 6 -10.333 -15.040 6.342 1.00 0.00 C ATOM 80 CG GLU A 6 -9.084 -15.924 6.327 1.00 0.00 C ATOM 81 CD GLU A 6 -9.130 -16.942 7.464 1.00 0.00 C ATOM 82 OE1 GLU A 6 -9.694 -18.035 7.236 1.00 0.00 O ATOM 83 OE2 GLU A 6 -8.603 -16.622 8.551 1.00 0.00 O ATOM 0 H GLU A 6 -10.125 -15.714 4.008 1.00 0.00 H new ATOM 0 HA GLU A 6 -11.209 -13.393 5.251 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -10.399 -14.520 7.298 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -11.222 -15.665 6.256 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -9.011 -16.442 5.371 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -8.192 -15.304 6.423 1.00 0.00 H new ATOM 90 N GLY A 7 -8.297 -12.940 4.297 1.00 0.00 N ATOM 91 CA GLY A 7 -7.139 -12.056 4.296 1.00 0.00 C ATOM 92 C GLY A 7 -7.519 -10.588 4.504 1.00 0.00 C ATOM 93 O GLY A 7 -6.646 -9.760 4.760 1.00 0.00 O ATOM 0 H GLY A 7 -8.420 -13.454 3.424 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -6.451 -12.364 5.083 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -6.608 -12.160 3.350 1.00 0.00 H new ATOM 97 N GLY A 8 -8.810 -10.258 4.398 1.00 0.00 N ATOM 98 CA GLY A 8 -9.293 -8.908 4.645 1.00 0.00 C ATOM 99 C GLY A 8 -10.794 -8.795 4.400 1.00 0.00 C ATOM 100 O GLY A 8 -11.384 -9.641 3.730 1.00 0.00 O ATOM 0 H GLY A 8 -9.542 -10.920 4.139 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -9.069 -8.623 5.673 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -8.764 -8.208 3.998 1.00 0.00 H new ATOM 104 N GLU A 9 -11.409 -7.742 4.949 1.00 0.00 N ATOM 105 CA GLU A 9 -12.844 -7.502 4.851 1.00 0.00 C ATOM 106 C GLU A 9 -13.153 -6.002 4.862 1.00 0.00 C ATOM 107 O GLU A 9 -14.308 -5.611 5.025 1.00 0.00 O ATOM 108 CB GLU A 9 -13.562 -8.168 6.031 1.00 0.00 C ATOM 109 CG GLU A 9 -13.414 -9.689 6.023 1.00 0.00 C ATOM 110 CD GLU A 9 -14.227 -10.316 7.155 1.00 0.00 C ATOM 111 OE1 GLU A 9 -13.675 -10.424 8.273 1.00 0.00 O ATOM 112 OE2 GLU A 9 -15.396 -10.682 6.896 1.00 0.00 O ATOM 0 H GLU A 9 -10.913 -7.026 5.480 1.00 0.00 H new ATOM 0 HA GLU A 9 -13.194 -7.926 3.910 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -13.163 -7.772 6.965 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -14.620 -7.909 6.001 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -13.748 -10.087 5.065 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -12.363 -9.958 6.131 1.00 0.00 H new ATOM 119 N GLY A 10 -12.131 -5.156 4.692 1.00 0.00 N ATOM 120 CA GLY A 10 -12.282 -3.710 4.814 1.00 0.00 C ATOM 121 C GLY A 10 -12.330 -2.993 3.467 1.00 0.00 C ATOM 122 O GLY A 10 -12.466 -1.772 3.430 1.00 0.00 O ATOM 0 H GLY A 10 -11.183 -5.457 4.467 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -13.196 -3.492 5.367 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -11.453 -3.313 5.400 1.00 0.00 H new ATOM 126 N PHE A 11 -12.219 -3.741 2.365 1.00 0.00 N ATOM 127 CA PHE A 11 -12.139 -3.203 1.016 1.00 0.00 C ATOM 128 C PHE A 11 -10.951 -2.256 0.902 1.00 0.00 C ATOM 129 O PHE A 11 -11.028 -1.211 0.262 1.00 0.00 O ATOM 130 CB PHE A 11 -13.463 -2.573 0.583 1.00 0.00 C ATOM 131 CG PHE A 11 -14.693 -3.394 0.904 1.00 0.00 C ATOM 132 CD1 PHE A 11 -14.629 -4.796 0.934 1.00 0.00 C ATOM 133 CD2 PHE A 11 -15.909 -2.748 1.175 1.00 0.00 C ATOM 134 CE1 PHE A 11 -15.774 -5.547 1.233 1.00 0.00 C ATOM 135 CE2 PHE A 11 -17.053 -3.499 1.475 1.00 0.00 C ATOM 136 CZ PHE A 11 -16.987 -4.898 1.505 1.00 0.00 C ATOM 0 H PHE A 11 -12.182 -4.760 2.394 1.00 0.00 H new ATOM 0 HA PHE A 11 -11.965 -4.020 0.315 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -13.559 -1.599 1.062 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -13.431 -2.398 -0.492 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -13.695 -5.297 0.726 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -15.963 -1.670 1.152 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -15.722 -6.626 1.254 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -17.987 -2.999 1.683 1.00 0.00 H new ATOM 0 HZ PHE A 11 -17.869 -5.476 1.737 1.00 0.00 H new ATOM 146 N VAL A 12 -9.846 -2.642 1.541 1.00 0.00 N ATOM 147 CA VAL A 12 -8.596 -1.901 1.511 1.00 0.00 C ATOM 148 C VAL A 12 -7.511 -2.861 1.042 1.00 0.00 C ATOM 149 O VAL A 12 -7.600 -4.063 1.287 1.00 0.00 O ATOM 150 CB VAL A 12 -8.269 -1.359 2.912 1.00 0.00 C ATOM 151 CG1 VAL A 12 -6.931 -0.621 2.930 1.00 0.00 C ATOM 152 CG2 VAL A 12 -9.343 -0.386 3.394 1.00 0.00 C ATOM 0 H VAL A 12 -9.799 -3.493 2.102 1.00 0.00 H new ATOM 0 HA VAL A 12 -8.667 -1.048 0.836 1.00 0.00 H new ATOM 0 HB VAL A 12 -8.223 -2.226 3.571 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -6.733 -0.252 3.936 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -6.135 -1.303 2.630 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -6.969 0.219 2.236 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -9.083 -0.020 4.387 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -9.409 0.455 2.703 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -10.305 -0.897 3.436 1.00 0.00 H new ATOM 162 N VAL A 13 -6.486 -2.337 0.368 1.00 0.00 N ATOM 163 CA VAL A 13 -5.361 -3.153 -0.066 1.00 0.00 C ATOM 164 C VAL A 13 -4.046 -2.427 0.166 1.00 0.00 C ATOM 165 O VAL A 13 -4.002 -1.201 0.238 1.00 0.00 O ATOM 166 CB VAL A 13 -5.496 -3.540 -1.544 1.00 0.00 C ATOM 167 CG1 VAL A 13 -6.719 -4.430 -1.755 1.00 0.00 C ATOM 168 CG2 VAL A 13 -5.605 -2.317 -2.457 1.00 0.00 C ATOM 0 H VAL A 13 -6.416 -1.352 0.113 1.00 0.00 H new ATOM 0 HA VAL A 13 -5.366 -4.066 0.530 1.00 0.00 H new ATOM 0 HB VAL A 13 -4.589 -4.083 -1.809 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -6.799 -4.695 -2.809 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -6.616 -5.337 -1.160 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -7.617 -3.894 -1.446 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -5.699 -2.643 -3.493 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -6.483 -1.733 -2.180 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -4.711 -1.702 -2.350 1.00 0.00 H new ATOM 178 N LYS A 14 -2.969 -3.204 0.282 1.00 0.00 N ATOM 179 CA LYS A 14 -1.622 -2.678 0.420 1.00 0.00 C ATOM 180 C LYS A 14 -1.056 -2.429 -0.972 1.00 0.00 C ATOM 181 O LYS A 14 -1.544 -2.996 -1.948 1.00 0.00 O ATOM 182 CB LYS A 14 -0.736 -3.678 1.169 1.00 0.00 C ATOM 183 CG LYS A 14 -1.490 -4.348 2.320 1.00 0.00 C ATOM 184 CD LYS A 14 -0.533 -5.179 3.174 1.00 0.00 C ATOM 185 CE LYS A 14 -1.340 -6.076 4.111 1.00 0.00 C ATOM 186 NZ LYS A 14 -0.461 -6.801 5.046 1.00 0.00 N ATOM 0 H LYS A 14 -3.013 -4.223 0.282 1.00 0.00 H new ATOM 0 HA LYS A 14 -1.647 -1.748 0.988 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -0.379 -4.439 0.475 1.00 0.00 H new ATOM 0 HB3 LYS A 14 0.143 -3.165 1.559 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -1.972 -3.590 2.937 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -2.280 -4.986 1.923 1.00 0.00 H new ATOM 0 HD2 LYS A 14 0.109 -5.785 2.535 1.00 0.00 H new ATOM 0 HD3 LYS A 14 0.119 -4.524 3.752 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -2.052 -5.472 4.673 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -1.919 -6.790 3.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -1.022 -7.488 5.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 0.277 -7.302 4.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -0.017 -6.125 5.700 1.00 0.00 H new ATOM 200 N LEU A 15 -0.031 -1.584 -1.066 1.00 0.00 N ATOM 201 CA LEU A 15 0.609 -1.257 -2.323 1.00 0.00 C ATOM 202 C LEU A 15 2.110 -1.119 -2.089 1.00 0.00 C ATOM 203 O LEU A 15 2.537 -0.612 -1.055 1.00 0.00 O ATOM 204 CB LEU A 15 0.001 0.072 -2.775 1.00 0.00 C ATOM 205 CG LEU A 15 -0.089 0.282 -4.285 1.00 0.00 C ATOM 206 CD1 LEU A 15 1.251 0.133 -4.998 1.00 0.00 C ATOM 207 CD2 LEU A 15 -1.096 -0.685 -4.902 1.00 0.00 C ATOM 0 H LEU A 15 0.376 -1.107 -0.261 1.00 0.00 H new ATOM 0 HA LEU A 15 0.458 -2.024 -3.082 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -1.002 0.153 -2.356 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.591 0.883 -2.349 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.418 1.312 -4.424 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.114 0.295 -6.067 1.00 0.00 H new ATOM 0 HD12 LEU A 15 1.955 0.868 -4.607 1.00 0.00 H new ATOM 0 HD13 LEU A 15 1.643 -0.870 -4.830 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.146 -0.520 -5.978 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.783 -1.710 -4.706 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -2.079 -0.516 -4.463 1.00 0.00 H new ATOM 219 N ARG A 16 2.909 -1.571 -3.055 1.00 0.00 N ATOM 220 CA ARG A 16 4.356 -1.426 -3.036 1.00 0.00 C ATOM 221 C ARG A 16 4.837 -1.308 -4.474 1.00 0.00 C ATOM 222 O ARG A 16 4.193 -1.826 -5.383 1.00 0.00 O ATOM 223 CB ARG A 16 5.016 -2.653 -2.402 1.00 0.00 C ATOM 224 CG ARG A 16 4.765 -2.723 -0.901 1.00 0.00 C ATOM 225 CD ARG A 16 5.549 -3.896 -0.319 1.00 0.00 C ATOM 226 NE ARG A 16 5.321 -4.020 1.122 1.00 0.00 N ATOM 227 CZ ARG A 16 5.024 -5.162 1.747 1.00 0.00 C ATOM 228 NH1 ARG A 16 4.895 -6.298 1.068 1.00 0.00 N ATOM 229 NH2 ARG A 16 4.855 -5.160 3.065 1.00 0.00 N ATOM 0 H ARG A 16 2.560 -2.054 -3.883 1.00 0.00 H new ATOM 0 HA ARG A 16 4.621 -0.544 -2.453 1.00 0.00 H new ATOM 0 HB2 ARG A 16 4.633 -3.557 -2.876 1.00 0.00 H new ATOM 0 HB3 ARG A 16 6.089 -2.625 -2.589 1.00 0.00 H new ATOM 0 HG2 ARG A 16 5.072 -1.792 -0.424 1.00 0.00 H new ATOM 0 HG3 ARG A 16 3.700 -2.847 -0.703 1.00 0.00 H new ATOM 0 HD2 ARG A 16 5.253 -4.819 -0.818 1.00 0.00 H new ATOM 0 HD3 ARG A 16 6.613 -3.757 -0.511 1.00 0.00 H new ATOM 0 HE ARG A 16 5.394 -3.175 1.688 1.00 0.00 H new ATOM 0 HH11 ARG A 16 5.023 -6.305 0.056 1.00 0.00 H new ATOM 0 HH12 ARG A 16 4.668 -7.163 1.559 1.00 0.00 H new ATOM 0 HH21 ARG A 16 4.952 -4.291 3.590 1.00 0.00 H new ATOM 0 HH22 ARG A 16 4.628 -6.027 3.551 1.00 0.00 H new ATOM 243 N GLY A 17 5.964 -0.633 -4.691 1.00 0.00 N ATOM 244 CA GLY A 17 6.530 -0.554 -6.024 1.00 0.00 C ATOM 245 C GLY A 17 7.382 0.687 -6.219 1.00 0.00 C ATOM 246 O GLY A 17 7.398 1.580 -5.374 1.00 0.00 O ATOM 0 H GLY A 17 6.492 -0.142 -3.970 1.00 0.00 H new ATOM 0 HA2 GLY A 17 7.136 -1.440 -6.211 1.00 0.00 H new ATOM 0 HA3 GLY A 17 5.725 -0.557 -6.758 1.00 0.00 H new ATOM 250 N LEU A 18 8.083 0.708 -7.357 1.00 0.00 N ATOM 251 CA LEU A 18 8.942 1.800 -7.796 1.00 0.00 C ATOM 252 C LEU A 18 10.105 2.059 -6.833 1.00 0.00 C ATOM 253 O LEU A 18 10.022 1.714 -5.656 1.00 0.00 O ATOM 254 CB LEU A 18 8.079 3.049 -8.022 1.00 0.00 C ATOM 255 CG LEU A 18 6.867 2.757 -8.916 1.00 0.00 C ATOM 256 CD1 LEU A 18 6.250 4.075 -9.377 1.00 0.00 C ATOM 257 CD2 LEU A 18 7.274 1.929 -10.134 1.00 0.00 C ATOM 0 H LEU A 18 8.063 -0.067 -8.019 1.00 0.00 H new ATOM 0 HA LEU A 18 9.414 1.519 -8.737 1.00 0.00 H new ATOM 0 HB2 LEU A 18 7.736 3.432 -7.061 1.00 0.00 H new ATOM 0 HB3 LEU A 18 8.686 3.831 -8.478 1.00 0.00 H new ATOM 0 HG LEU A 18 6.139 2.186 -8.340 1.00 0.00 H new ATOM 0 HD11 LEU A 18 5.388 3.871 -10.013 1.00 0.00 H new ATOM 0 HD12 LEU A 18 5.932 4.651 -8.508 1.00 0.00 H new ATOM 0 HD13 LEU A 18 6.989 4.645 -9.940 1.00 0.00 H new ATOM 0 HD21 LEU A 18 6.397 1.735 -10.752 1.00 0.00 H new ATOM 0 HD22 LEU A 18 8.014 2.478 -10.716 1.00 0.00 H new ATOM 0 HD23 LEU A 18 7.701 0.982 -9.804 1.00 0.00 H new ATOM 269 N PRO A 19 11.199 2.665 -7.317 1.00 0.00 N ATOM 270 CA PRO A 19 12.378 2.987 -6.527 1.00 0.00 C ATOM 271 C PRO A 19 12.087 4.074 -5.490 1.00 0.00 C ATOM 272 O PRO A 19 12.521 5.216 -5.635 1.00 0.00 O ATOM 273 CB PRO A 19 13.447 3.402 -7.538 1.00 0.00 C ATOM 274 CG PRO A 19 12.630 3.969 -8.694 1.00 0.00 C ATOM 275 CD PRO A 19 11.388 3.082 -8.697 1.00 0.00 C ATOM 0 HA PRO A 19 12.715 2.135 -5.937 1.00 0.00 H new ATOM 0 HB2 PRO A 19 14.127 4.146 -7.123 1.00 0.00 H new ATOM 0 HB3 PRO A 19 14.055 2.554 -7.852 1.00 0.00 H new ATOM 0 HG2 PRO A 19 12.378 5.017 -8.535 1.00 0.00 H new ATOM 0 HG3 PRO A 19 13.171 3.911 -9.638 1.00 0.00 H new ATOM 0 HD2 PRO A 19 10.518 3.627 -9.064 1.00 0.00 H new ATOM 0 HD3 PRO A 19 11.524 2.221 -9.351 1.00 0.00 H new ATOM 283 N TRP A 20 11.344 3.706 -4.441 1.00 0.00 N ATOM 284 CA TRP A 20 11.008 4.577 -3.325 1.00 0.00 C ATOM 285 C TRP A 20 10.481 5.951 -3.760 1.00 0.00 C ATOM 286 O TRP A 20 10.746 6.959 -3.105 1.00 0.00 O ATOM 287 CB TRP A 20 12.205 4.665 -2.374 1.00 0.00 C ATOM 288 CG TRP A 20 12.344 3.543 -1.389 1.00 0.00 C ATOM 289 CD1 TRP A 20 11.544 3.357 -0.318 1.00 0.00 C ATOM 290 CD2 TRP A 20 13.321 2.453 -1.339 1.00 0.00 C ATOM 291 NE1 TRP A 20 11.975 2.271 0.415 1.00 0.00 N ATOM 292 CE2 TRP A 20 13.102 1.706 -0.143 1.00 0.00 C ATOM 293 CE3 TRP A 20 14.399 2.049 -2.150 1.00 0.00 C ATOM 294 CZ2 TRP A 20 13.948 0.663 0.256 1.00 0.00 C ATOM 295 CZ3 TRP A 20 15.237 0.993 -1.758 1.00 0.00 C ATOM 296 CH2 TRP A 20 15.016 0.304 -0.564 1.00 0.00 C ATOM 0 H TRP A 20 10.953 2.769 -4.348 1.00 0.00 H new ATOM 0 HA TRP A 20 10.170 4.133 -2.787 1.00 0.00 H new ATOM 0 HB2 TRP A 20 13.116 4.713 -2.971 1.00 0.00 H new ATOM 0 HB3 TRP A 20 12.137 5.602 -1.821 1.00 0.00 H new ATOM 0 HD1 TRP A 20 10.690 3.970 -0.071 1.00 0.00 H new ATOM 0 HE1 TRP A 20 11.519 1.930 1.261 1.00 0.00 H new ATOM 0 HE3 TRP A 20 14.583 2.558 -3.085 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 13.775 0.144 1.187 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 16.066 0.709 -2.390 1.00 0.00 H new ATOM 0 HH2 TRP A 20 15.671 -0.505 -0.277 1.00 0.00 H new ATOM 307 N SER A 21 9.733 6.001 -4.867 1.00 0.00 N ATOM 308 CA SER A 21 9.097 7.231 -5.322 1.00 0.00 C ATOM 309 C SER A 21 7.773 6.915 -6.014 1.00 0.00 C ATOM 310 O SER A 21 7.704 6.026 -6.860 1.00 0.00 O ATOM 311 CB SER A 21 10.040 7.988 -6.260 1.00 0.00 C ATOM 312 OG SER A 21 10.444 7.169 -7.338 1.00 0.00 O ATOM 0 H SER A 21 9.555 5.194 -5.465 1.00 0.00 H new ATOM 0 HA SER A 21 8.885 7.866 -4.462 1.00 0.00 H new ATOM 0 HB2 SER A 21 9.541 8.879 -6.642 1.00 0.00 H new ATOM 0 HB3 SER A 21 10.916 8.326 -5.706 1.00 0.00 H new ATOM 0 HG SER A 21 11.075 6.492 -7.016 1.00 0.00 H new ATOM 318 N CYS A 22 6.718 7.651 -5.649 1.00 0.00 N ATOM 319 CA CYS A 22 5.376 7.448 -6.181 1.00 0.00 C ATOM 320 C CYS A 22 4.489 8.644 -5.817 1.00 0.00 C ATOM 321 O CYS A 22 4.897 9.501 -5.033 1.00 0.00 O ATOM 322 CB CYS A 22 4.816 6.157 -5.571 1.00 0.00 C ATOM 323 SG CYS A 22 3.266 5.671 -6.373 1.00 0.00 S ATOM 0 H CYS A 22 6.777 8.410 -4.970 1.00 0.00 H new ATOM 0 HA CYS A 22 5.401 7.364 -7.267 1.00 0.00 H new ATOM 0 HB2 CYS A 22 5.548 5.356 -5.674 1.00 0.00 H new ATOM 0 HB3 CYS A 22 4.647 6.300 -4.504 1.00 0.00 H new ATOM 0 HG CYS A 22 2.823 4.575 -5.833 1.00 0.00 H new ATOM 329 N SER A 23 3.278 8.705 -6.381 1.00 0.00 N ATOM 330 CA SER A 23 2.289 9.720 -6.040 1.00 0.00 C ATOM 331 C SER A 23 0.888 9.124 -6.109 1.00 0.00 C ATOM 332 O SER A 23 0.711 8.002 -6.584 1.00 0.00 O ATOM 333 CB SER A 23 2.400 10.914 -6.987 1.00 0.00 C ATOM 334 OG SER A 23 1.992 10.549 -8.289 1.00 0.00 O ATOM 0 H SER A 23 2.960 8.045 -7.091 1.00 0.00 H new ATOM 0 HA SER A 23 2.479 10.066 -5.024 1.00 0.00 H new ATOM 0 HB2 SER A 23 1.782 11.734 -6.622 1.00 0.00 H new ATOM 0 HB3 SER A 23 3.428 11.275 -7.009 1.00 0.00 H new ATOM 0 HG SER A 23 2.636 9.915 -8.668 1.00 0.00 H new ATOM 340 N VAL A 24 -0.117 9.869 -5.635 1.00 0.00 N ATOM 341 CA VAL A 24 -1.483 9.367 -5.613 1.00 0.00 C ATOM 342 C VAL A 24 -2.039 9.201 -7.025 1.00 0.00 C ATOM 343 O VAL A 24 -3.029 8.496 -7.216 1.00 0.00 O ATOM 344 CB VAL A 24 -2.402 10.249 -4.750 1.00 0.00 C ATOM 345 CG1 VAL A 24 -1.623 11.168 -3.811 1.00 0.00 C ATOM 346 CG2 VAL A 24 -3.364 11.112 -5.561 1.00 0.00 C ATOM 0 H VAL A 24 -0.005 10.813 -5.266 1.00 0.00 H new ATOM 0 HA VAL A 24 -1.455 8.380 -5.151 1.00 0.00 H new ATOM 0 HB VAL A 24 -2.980 9.529 -4.171 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -2.321 11.767 -3.226 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -1.010 10.567 -3.139 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -0.981 11.827 -4.396 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -3.979 11.706 -4.884 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -2.796 11.776 -6.212 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -4.005 10.471 -6.166 1.00 0.00 H new ATOM 356 N GLU A 25 -1.416 9.841 -8.017 1.00 0.00 N ATOM 357 CA GLU A 25 -1.874 9.757 -9.393 1.00 0.00 C ATOM 358 C GLU A 25 -1.305 8.524 -10.086 1.00 0.00 C ATOM 359 O GLU A 25 -1.920 8.010 -11.018 1.00 0.00 O ATOM 360 CB GLU A 25 -1.441 11.011 -10.151 1.00 0.00 C ATOM 361 CG GLU A 25 -2.044 12.263 -9.514 1.00 0.00 C ATOM 362 CD GLU A 25 -1.720 13.505 -10.342 1.00 0.00 C ATOM 363 OE1 GLU A 25 -2.501 13.801 -11.273 1.00 0.00 O ATOM 364 OE2 GLU A 25 -0.693 14.154 -10.037 1.00 0.00 O ATOM 0 H GLU A 25 -0.590 10.424 -7.885 1.00 0.00 H new ATOM 0 HA GLU A 25 -2.961 9.679 -9.389 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -0.353 11.085 -10.151 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -1.755 10.939 -11.192 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -3.125 12.149 -9.430 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -1.657 12.384 -8.502 1.00 0.00 H new ATOM 371 N ASP A 26 -0.140 8.042 -9.644 1.00 0.00 N ATOM 372 CA ASP A 26 0.456 6.849 -10.225 1.00 0.00 C ATOM 373 C ASP A 26 -0.249 5.607 -9.692 1.00 0.00 C ATOM 374 O ASP A 26 -0.433 4.635 -10.423 1.00 0.00 O ATOM 375 CB ASP A 26 1.941 6.787 -9.867 1.00 0.00 C ATOM 376 CG ASP A 26 2.716 7.978 -10.424 1.00 0.00 C ATOM 377 OD1 ASP A 26 2.645 8.192 -11.655 1.00 0.00 O ATOM 378 OD2 ASP A 26 3.373 8.664 -9.610 1.00 0.00 O ATOM 0 H ASP A 26 0.402 8.462 -8.889 1.00 0.00 H new ATOM 0 HA ASP A 26 0.347 6.888 -11.309 1.00 0.00 H new ATOM 0 HB2 ASP A 26 2.051 6.758 -8.783 1.00 0.00 H new ATOM 0 HB3 ASP A 26 2.369 5.863 -10.256 1.00 0.00 H new ATOM 383 N VAL A 27 -0.650 5.628 -8.418 1.00 0.00 N ATOM 384 CA VAL A 27 -1.310 4.479 -7.823 1.00 0.00 C ATOM 385 C VAL A 27 -2.725 4.318 -8.371 1.00 0.00 C ATOM 386 O VAL A 27 -3.153 3.195 -8.620 1.00 0.00 O ATOM 387 CB VAL A 27 -1.283 4.610 -6.297 1.00 0.00 C ATOM 388 CG1 VAL A 27 -2.063 5.825 -5.810 1.00 0.00 C ATOM 389 CG2 VAL A 27 -1.854 3.361 -5.636 1.00 0.00 C ATOM 0 H VAL A 27 -0.528 6.422 -7.790 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.773 3.569 -8.091 1.00 0.00 H new ATOM 0 HB VAL A 27 -0.237 4.734 -6.016 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -2.015 5.876 -4.722 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -1.629 6.730 -6.235 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -3.103 5.739 -6.124 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -1.825 3.477 -4.553 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.886 3.218 -5.958 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -1.261 2.493 -5.924 1.00 0.00 H new ATOM 399 N GLN A 28 -3.468 5.414 -8.569 1.00 0.00 N ATOM 400 CA GLN A 28 -4.799 5.301 -9.150 1.00 0.00 C ATOM 401 C GLN A 28 -4.716 4.924 -10.629 1.00 0.00 C ATOM 402 O GLN A 28 -5.665 4.365 -11.177 1.00 0.00 O ATOM 403 CB GLN A 28 -5.585 6.597 -8.944 1.00 0.00 C ATOM 404 CG GLN A 28 -4.965 7.779 -9.687 1.00 0.00 C ATOM 405 CD GLN A 28 -5.706 9.068 -9.358 1.00 0.00 C ATOM 406 OE1 GLN A 28 -6.538 9.534 -10.131 1.00 0.00 O ATOM 407 NE2 GLN A 28 -5.404 9.656 -8.204 1.00 0.00 N ATOM 0 H GLN A 28 -3.175 6.364 -8.340 1.00 0.00 H new ATOM 0 HA GLN A 28 -5.335 4.501 -8.638 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -6.611 6.455 -9.285 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -5.632 6.825 -7.879 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -3.915 7.877 -9.413 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -4.999 7.598 -10.761 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -4.707 9.240 -7.586 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -5.869 10.523 -7.936 1.00 0.00 H new ATOM 416 N ASN A 29 -3.587 5.223 -11.281 1.00 0.00 N ATOM 417 CA ASN A 29 -3.351 4.818 -12.660 1.00 0.00 C ATOM 418 C ASN A 29 -3.119 3.308 -12.760 1.00 0.00 C ATOM 419 O ASN A 29 -3.413 2.711 -13.794 1.00 0.00 O ATOM 420 CB ASN A 29 -2.143 5.598 -13.196 1.00 0.00 C ATOM 421 CG ASN A 29 -1.135 4.707 -13.911 1.00 0.00 C ATOM 422 OD1 ASN A 29 -1.171 4.557 -15.128 1.00 0.00 O ATOM 423 ND2 ASN A 29 -0.225 4.111 -13.143 1.00 0.00 N ATOM 0 H ASN A 29 -2.819 5.750 -10.865 1.00 0.00 H new ATOM 0 HA ASN A 29 -4.231 5.044 -13.263 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -2.490 6.370 -13.883 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -1.649 6.107 -12.369 1.00 0.00 H new ATOM 0 HD21 ASN A 29 0.478 3.503 -13.563 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -0.231 4.263 -12.134 1.00 0.00 H new ATOM 430 N PHE A 30 -2.595 2.685 -11.698 1.00 0.00 N ATOM 431 CA PHE A 30 -2.256 1.269 -11.736 1.00 0.00 C ATOM 432 C PHE A 30 -3.454 0.374 -11.412 1.00 0.00 C ATOM 433 O PHE A 30 -3.542 -0.741 -11.925 1.00 0.00 O ATOM 434 CB PHE A 30 -1.111 1.021 -10.761 1.00 0.00 C ATOM 435 CG PHE A 30 -0.753 -0.439 -10.624 1.00 0.00 C ATOM 436 CD1 PHE A 30 0.041 -1.064 -11.595 1.00 0.00 C ATOM 437 CD2 PHE A 30 -1.221 -1.171 -9.524 1.00 0.00 C ATOM 438 CE1 PHE A 30 0.357 -2.424 -11.471 1.00 0.00 C ATOM 439 CE2 PHE A 30 -0.915 -2.530 -9.406 1.00 0.00 C ATOM 440 CZ PHE A 30 -0.122 -3.157 -10.377 1.00 0.00 C ATOM 0 H PHE A 30 -2.399 3.142 -10.808 1.00 0.00 H new ATOM 0 HA PHE A 30 -1.950 1.010 -12.750 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -0.233 1.574 -11.094 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -1.384 1.415 -9.782 1.00 0.00 H new ATOM 0 HD1 PHE A 30 0.409 -0.498 -12.438 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -1.818 -0.685 -8.767 1.00 0.00 H new ATOM 0 HE1 PHE A 30 0.969 -2.907 -12.218 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -1.290 -3.097 -8.567 1.00 0.00 H new ATOM 0 HZ PHE A 30 0.120 -4.205 -10.282 1.00 0.00 H new ATOM 450 N LEU A 31 -4.378 0.845 -10.568 1.00 0.00 N ATOM 451 CA LEU A 31 -5.611 0.123 -10.268 1.00 0.00 C ATOM 452 C LEU A 31 -6.714 0.669 -11.177 1.00 0.00 C ATOM 453 O LEU A 31 -7.785 1.053 -10.711 1.00 0.00 O ATOM 454 CB LEU A 31 -5.992 0.236 -8.781 1.00 0.00 C ATOM 455 CG LEU A 31 -5.017 -0.415 -7.790 1.00 0.00 C ATOM 456 CD1 LEU A 31 -4.487 -1.753 -8.295 1.00 0.00 C ATOM 457 CD2 LEU A 31 -3.864 0.526 -7.471 1.00 0.00 C ATOM 0 H LEU A 31 -4.289 1.735 -10.077 1.00 0.00 H new ATOM 0 HA LEU A 31 -5.469 -0.941 -10.459 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -6.086 1.292 -8.529 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -6.975 -0.213 -8.642 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.577 -0.612 -6.876 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.802 -2.174 -7.559 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -5.320 -2.439 -8.449 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.960 -1.603 -9.238 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.185 0.044 -6.767 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.326 0.766 -8.388 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.254 1.443 -7.029 1.00 0.00 H new ATOM 469 N SER A 32 -6.430 0.695 -12.484 1.00 0.00 N ATOM 470 CA SER A 32 -7.274 1.268 -13.528 1.00 0.00 C ATOM 471 C SER A 32 -8.644 0.600 -13.686 1.00 0.00 C ATOM 472 O SER A 32 -9.357 0.898 -14.643 1.00 0.00 O ATOM 473 CB SER A 32 -6.507 1.214 -14.848 1.00 0.00 C ATOM 474 OG SER A 32 -6.212 -0.126 -15.185 1.00 0.00 O ATOM 0 H SER A 32 -5.566 0.299 -12.855 1.00 0.00 H new ATOM 0 HA SER A 32 -7.495 2.293 -13.229 1.00 0.00 H new ATOM 0 HB2 SER A 32 -7.098 1.674 -15.640 1.00 0.00 H new ATOM 0 HB3 SER A 32 -5.584 1.788 -14.765 1.00 0.00 H new ATOM 0 HG SER A 32 -5.722 -0.150 -16.033 1.00 0.00 H new ATOM 480 N ASP A 33 -9.021 -0.294 -12.769 1.00 0.00 N ATOM 481 CA ASP A 33 -10.309 -0.976 -12.805 1.00 0.00 C ATOM 482 C ASP A 33 -11.048 -0.796 -11.480 1.00 0.00 C ATOM 483 O ASP A 33 -12.093 -1.407 -11.269 1.00 0.00 O ATOM 484 CB ASP A 33 -10.112 -2.472 -13.072 1.00 0.00 C ATOM 485 CG ASP A 33 -9.194 -2.743 -14.261 1.00 0.00 C ATOM 486 OD1 ASP A 33 -9.627 -2.473 -15.403 1.00 0.00 O ATOM 487 OD2 ASP A 33 -8.064 -3.219 -14.010 1.00 0.00 O ATOM 0 H ASP A 33 -8.436 -0.564 -11.978 1.00 0.00 H new ATOM 0 HA ASP A 33 -10.901 -0.538 -13.609 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -9.696 -2.944 -12.182 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -11.082 -2.935 -13.254 1.00 0.00 H new ATOM 492 N CYS A 34 -10.508 0.041 -10.589 1.00 0.00 N ATOM 493 CA CYS A 34 -10.983 0.169 -9.224 1.00 0.00 C ATOM 494 C CYS A 34 -11.260 1.628 -8.868 1.00 0.00 C ATOM 495 O CYS A 34 -11.128 2.522 -9.705 1.00 0.00 O ATOM 496 CB CYS A 34 -9.906 -0.403 -8.302 1.00 0.00 C ATOM 497 SG CYS A 34 -9.623 -2.149 -8.693 1.00 0.00 S ATOM 0 H CYS A 34 -9.720 0.652 -10.806 1.00 0.00 H new ATOM 0 HA CYS A 34 -11.921 -0.375 -9.109 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -8.980 0.159 -8.418 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -10.213 -0.300 -7.261 1.00 0.00 H new ATOM 0 HG CYS A 34 -9.869 -2.874 -7.643 1.00 0.00 H new ATOM 503 N THR A 35 -11.645 1.857 -7.611 1.00 0.00 N ATOM 504 CA THR A 35 -11.932 3.176 -7.073 1.00 0.00 C ATOM 505 C THR A 35 -11.230 3.297 -5.728 1.00 0.00 C ATOM 506 O THR A 35 -11.293 2.380 -4.913 1.00 0.00 O ATOM 507 CB THR A 35 -13.447 3.334 -6.919 1.00 0.00 C ATOM 508 OG1 THR A 35 -14.050 3.370 -8.194 1.00 0.00 O ATOM 509 CG2 THR A 35 -13.804 4.614 -6.170 1.00 0.00 C ATOM 0 H THR A 35 -11.767 1.109 -6.928 1.00 0.00 H new ATOM 0 HA THR A 35 -11.574 3.961 -7.738 1.00 0.00 H new ATOM 0 HB THR A 35 -13.814 2.483 -6.345 1.00 0.00 H new ATOM 0 HG1 THR A 35 -15.020 3.470 -8.094 1.00 0.00 H new ATOM 0 HG21 THR A 35 -14.887 4.693 -6.080 1.00 0.00 H new ATOM 0 HG22 THR A 35 -13.358 4.590 -5.176 1.00 0.00 H new ATOM 0 HG23 THR A 35 -13.422 5.475 -6.719 1.00 0.00 H new ATOM 517 N ILE A 36 -10.564 4.432 -5.502 1.00 0.00 N ATOM 518 CA ILE A 36 -9.737 4.671 -4.327 1.00 0.00 C ATOM 519 C ILE A 36 -10.584 5.269 -3.201 1.00 0.00 C ATOM 520 O ILE A 36 -10.156 6.182 -2.502 1.00 0.00 O ATOM 521 CB ILE A 36 -8.507 5.515 -4.713 1.00 0.00 C ATOM 522 CG1 ILE A 36 -7.690 4.813 -5.809 1.00 0.00 C ATOM 523 CG2 ILE A 36 -7.569 5.707 -3.518 1.00 0.00 C ATOM 524 CD1 ILE A 36 -8.145 5.212 -7.212 1.00 0.00 C ATOM 0 H ILE A 36 -10.588 5.223 -6.146 1.00 0.00 H new ATOM 0 HA ILE A 36 -9.345 3.732 -3.937 1.00 0.00 H new ATOM 0 HB ILE A 36 -8.885 6.476 -5.060 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -6.635 5.059 -5.687 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -7.781 3.733 -5.693 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -6.711 6.306 -3.822 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -8.102 6.217 -2.715 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -7.226 4.735 -3.165 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -7.539 4.691 -7.953 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -9.193 4.942 -7.345 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -8.029 6.288 -7.340 1.00 0.00 H new ATOM 536 N HIS A 37 -11.799 4.736 -3.037 1.00 0.00 N ATOM 537 CA HIS A 37 -12.798 5.161 -2.060 1.00 0.00 C ATOM 538 C HIS A 37 -13.293 6.601 -2.258 1.00 0.00 C ATOM 539 O HIS A 37 -14.485 6.859 -2.097 1.00 0.00 O ATOM 540 CB HIS A 37 -12.244 4.905 -0.660 1.00 0.00 C ATOM 541 CG HIS A 37 -13.290 4.990 0.414 1.00 0.00 C ATOM 542 ND1 HIS A 37 -13.967 3.934 0.979 1.00 0.00 N ATOM 543 CD2 HIS A 37 -13.746 6.130 1.012 1.00 0.00 C ATOM 544 CE1 HIS A 37 -14.810 4.434 1.899 1.00 0.00 C ATOM 545 NE2 HIS A 37 -14.715 5.774 1.959 1.00 0.00 N ATOM 0 H HIS A 37 -12.125 3.959 -3.612 1.00 0.00 H new ATOM 0 HA HIS A 37 -13.699 4.565 -2.208 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -11.784 3.917 -0.633 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -11.457 5.629 -0.450 1.00 0.00 H new ATOM 0 HD1 HIS A 37 -13.850 2.949 0.742 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -13.416 7.135 0.792 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -15.474 3.839 2.508 1.00 0.00 H new ATOM 553 N ASP A 38 -12.402 7.535 -2.605 1.00 0.00 N ATOM 554 CA ASP A 38 -12.735 8.902 -2.987 1.00 0.00 C ATOM 555 C ASP A 38 -11.721 9.463 -3.991 1.00 0.00 C ATOM 556 O ASP A 38 -11.943 10.542 -4.538 1.00 0.00 O ATOM 557 CB ASP A 38 -12.746 9.821 -1.759 1.00 0.00 C ATOM 558 CG ASP A 38 -13.971 9.624 -0.871 1.00 0.00 C ATOM 559 OD1 ASP A 38 -15.098 9.723 -1.406 1.00 0.00 O ATOM 560 OD2 ASP A 38 -13.773 9.376 0.340 1.00 0.00 O ATOM 0 H ASP A 38 -11.399 7.350 -2.627 1.00 0.00 H new ATOM 0 HA ASP A 38 -13.724 8.871 -3.444 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -11.846 9.641 -1.171 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -12.708 10.859 -2.090 1.00 0.00 H new ATOM 565 N GLY A 39 -10.614 8.754 -4.245 1.00 0.00 N ATOM 566 CA GLY A 39 -9.567 9.236 -5.133 1.00 0.00 C ATOM 567 C GLY A 39 -8.376 9.702 -4.308 1.00 0.00 C ATOM 568 O GLY A 39 -7.871 8.967 -3.459 1.00 0.00 O ATOM 0 H GLY A 39 -10.426 7.837 -3.840 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -9.262 8.444 -5.816 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -9.943 10.057 -5.744 1.00 0.00 H new ATOM 572 N ALA A 40 -7.928 10.932 -4.561 1.00 0.00 N ATOM 573 CA ALA A 40 -6.866 11.578 -3.799 1.00 0.00 C ATOM 574 C ALA A 40 -7.256 11.783 -2.328 1.00 0.00 C ATOM 575 O ALA A 40 -6.498 12.380 -1.566 1.00 0.00 O ATOM 576 CB ALA A 40 -6.546 12.918 -4.458 1.00 0.00 C ATOM 0 H ALA A 40 -8.300 11.513 -5.312 1.00 0.00 H new ATOM 0 HA ALA A 40 -5.988 10.933 -3.803 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -5.753 13.417 -3.901 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -6.219 12.750 -5.484 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -7.438 13.545 -4.459 1.00 0.00 H new ATOM 582 N ALA A 41 -8.433 11.288 -1.931 1.00 0.00 N ATOM 583 CA ALA A 41 -8.951 11.388 -0.575 1.00 0.00 C ATOM 584 C ALA A 41 -9.074 10.006 0.071 1.00 0.00 C ATOM 585 O ALA A 41 -9.770 9.847 1.073 1.00 0.00 O ATOM 586 CB ALA A 41 -10.279 12.142 -0.603 1.00 0.00 C ATOM 0 H ALA A 41 -9.063 10.796 -2.565 1.00 0.00 H new ATOM 0 HA ALA A 41 -8.253 11.950 0.046 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -10.674 12.221 0.410 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -10.122 13.141 -1.010 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -10.990 11.603 -1.229 1.00 0.00 H new ATOM 592 N GLY A 42 -8.396 9.009 -0.506 1.00 0.00 N ATOM 593 CA GLY A 42 -8.349 7.657 0.033 1.00 0.00 C ATOM 594 C GLY A 42 -6.959 7.037 -0.120 1.00 0.00 C ATOM 595 O GLY A 42 -6.763 5.874 0.231 1.00 0.00 O ATOM 0 H GLY A 42 -7.862 9.124 -1.367 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -8.626 7.675 1.087 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -9.084 7.035 -0.479 1.00 0.00 H new ATOM 599 N VAL A 43 -5.993 7.803 -0.642 1.00 0.00 N ATOM 600 CA VAL A 43 -4.616 7.343 -0.772 1.00 0.00 C ATOM 601 C VAL A 43 -3.932 7.349 0.599 1.00 0.00 C ATOM 602 O VAL A 43 -4.359 8.067 1.503 1.00 0.00 O ATOM 603 CB VAL A 43 -3.849 8.253 -1.749 1.00 0.00 C ATOM 604 CG1 VAL A 43 -3.457 9.569 -1.075 1.00 0.00 C ATOM 605 CG2 VAL A 43 -2.599 7.525 -2.244 1.00 0.00 C ATOM 0 H VAL A 43 -6.148 8.752 -0.982 1.00 0.00 H new ATOM 0 HA VAL A 43 -4.616 6.325 -1.163 1.00 0.00 H new ATOM 0 HB VAL A 43 -4.497 8.486 -2.594 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -2.916 10.195 -1.785 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -4.355 10.090 -0.743 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -2.819 9.362 -0.215 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -2.054 8.167 -2.936 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -1.960 7.281 -1.395 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -2.891 6.607 -2.754 1.00 0.00 H new ATOM 615 N HIS A 44 -2.871 6.551 0.751 1.00 0.00 N ATOM 616 CA HIS A 44 -2.022 6.556 1.936 1.00 0.00 C ATOM 617 C HIS A 44 -0.618 6.094 1.560 1.00 0.00 C ATOM 618 O HIS A 44 -0.425 5.498 0.503 1.00 0.00 O ATOM 619 CB HIS A 44 -2.586 5.613 2.998 1.00 0.00 C ATOM 620 CG HIS A 44 -3.750 6.182 3.762 1.00 0.00 C ATOM 621 ND1 HIS A 44 -3.702 7.182 4.705 1.00 0.00 N ATOM 622 CD2 HIS A 44 -5.056 5.794 3.648 1.00 0.00 C ATOM 623 CE1 HIS A 44 -4.955 7.384 5.148 1.00 0.00 C ATOM 624 NE2 HIS A 44 -5.822 6.563 4.533 1.00 0.00 N ATOM 0 H HIS A 44 -2.578 5.877 0.044 1.00 0.00 H new ATOM 0 HA HIS A 44 -1.988 7.569 2.336 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -2.898 4.686 2.518 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -1.793 5.357 3.701 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -5.432 5.026 2.988 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -5.228 8.110 5.899 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -6.830 6.510 4.680 1.00 0.00 H new ATOM 632 N PHE A 45 0.362 6.370 2.426 1.00 0.00 N ATOM 633 CA PHE A 45 1.751 5.979 2.227 1.00 0.00 C ATOM 634 C PHE A 45 2.383 5.650 3.578 1.00 0.00 C ATOM 635 O PHE A 45 1.773 5.888 4.619 1.00 0.00 O ATOM 636 CB PHE A 45 2.505 7.108 1.519 1.00 0.00 C ATOM 637 CG PHE A 45 2.031 7.328 0.099 1.00 0.00 C ATOM 638 CD1 PHE A 45 2.573 6.563 -0.944 1.00 0.00 C ATOM 639 CD2 PHE A 45 1.049 8.289 -0.179 1.00 0.00 C ATOM 640 CE1 PHE A 45 2.108 6.732 -2.256 1.00 0.00 C ATOM 641 CE2 PHE A 45 0.587 8.460 -1.491 1.00 0.00 C ATOM 642 CZ PHE A 45 1.108 7.673 -2.529 1.00 0.00 C ATOM 0 H PHE A 45 0.205 6.879 3.296 1.00 0.00 H new ATOM 0 HA PHE A 45 1.804 5.090 1.599 1.00 0.00 H new ATOM 0 HB2 PHE A 45 2.383 8.031 2.085 1.00 0.00 H new ATOM 0 HB3 PHE A 45 3.570 6.878 1.510 1.00 0.00 H new ATOM 0 HD1 PHE A 45 3.350 5.842 -0.736 1.00 0.00 H new ATOM 0 HD2 PHE A 45 0.648 8.898 0.618 1.00 0.00 H new ATOM 0 HE1 PHE A 45 2.521 6.136 -3.056 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -0.171 9.199 -1.703 1.00 0.00 H new ATOM 0 HZ PHE A 45 0.738 7.793 -3.537 1.00 0.00 H new ATOM 652 N ILE A 46 3.605 5.103 3.570 1.00 0.00 N ATOM 653 CA ILE A 46 4.254 4.640 4.792 1.00 0.00 C ATOM 654 C ILE A 46 5.714 5.066 4.828 1.00 0.00 C ATOM 655 O ILE A 46 6.624 4.251 4.692 1.00 0.00 O ATOM 656 CB ILE A 46 4.128 3.128 4.949 1.00 0.00 C ATOM 657 CG1 ILE A 46 2.704 2.677 4.628 1.00 0.00 C ATOM 658 CG2 ILE A 46 4.509 2.765 6.388 1.00 0.00 C ATOM 659 CD1 ILE A 46 2.590 1.182 4.869 1.00 0.00 C ATOM 0 H ILE A 46 4.162 4.972 2.725 1.00 0.00 H new ATOM 0 HA ILE A 46 3.742 5.106 5.634 1.00 0.00 H new ATOM 0 HB ILE A 46 4.795 2.618 4.254 1.00 0.00 H new ATOM 0 HG12 ILE A 46 1.990 3.214 5.252 1.00 0.00 H new ATOM 0 HG13 ILE A 46 2.460 2.910 3.592 1.00 0.00 H new ATOM 0 HG21 ILE A 46 4.427 1.687 6.525 1.00 0.00 H new ATOM 0 HG22 ILE A 46 5.535 3.078 6.583 1.00 0.00 H new ATOM 0 HG23 ILE A 46 3.837 3.271 7.081 1.00 0.00 H new ATOM 0 HD11 ILE A 46 1.576 0.853 4.642 1.00 0.00 H new ATOM 0 HD12 ILE A 46 3.295 0.655 4.226 1.00 0.00 H new ATOM 0 HD13 ILE A 46 2.817 0.963 5.912 1.00 0.00 H new ATOM 671 N TYR A 47 5.932 6.362 5.014 1.00 0.00 N ATOM 672 CA TYR A 47 7.265 6.940 5.073 1.00 0.00 C ATOM 673 C TYR A 47 7.253 8.128 6.036 1.00 0.00 C ATOM 674 O TYR A 47 6.305 8.270 6.809 1.00 0.00 O ATOM 675 CB TYR A 47 7.720 7.317 3.668 1.00 0.00 C ATOM 676 CG TYR A 47 7.374 8.701 3.182 1.00 0.00 C ATOM 677 CD1 TYR A 47 6.108 9.258 3.409 1.00 0.00 C ATOM 678 CD2 TYR A 47 8.358 9.421 2.490 1.00 0.00 C ATOM 679 CE1 TYR A 47 5.829 10.556 2.960 1.00 0.00 C ATOM 680 CE2 TYR A 47 8.084 10.720 2.037 1.00 0.00 C ATOM 681 CZ TYR A 47 6.817 11.292 2.273 1.00 0.00 C ATOM 682 OH TYR A 47 6.546 12.556 1.838 1.00 0.00 O ATOM 0 H TYR A 47 5.183 7.044 5.129 1.00 0.00 H new ATOM 0 HA TYR A 47 7.986 6.218 5.456 1.00 0.00 H new ATOM 0 HB2 TYR A 47 8.803 7.203 3.621 1.00 0.00 H new ATOM 0 HB3 TYR A 47 7.293 6.597 2.970 1.00 0.00 H new ATOM 0 HD1 TYR A 47 5.351 8.689 3.928 1.00 0.00 H new ATOM 0 HD2 TYR A 47 9.325 8.976 2.306 1.00 0.00 H new ATOM 0 HE1 TYR A 47 4.858 10.993 3.140 1.00 0.00 H new ATOM 0 HE2 TYR A 47 8.841 11.280 1.509 1.00 0.00 H new ATOM 0 HH TYR A 47 7.334 12.922 1.385 1.00 0.00 H new ATOM 692 N THR A 48 8.278 8.984 6.011 1.00 0.00 N ATOM 693 CA THR A 48 8.322 10.124 6.918 1.00 0.00 C ATOM 694 C THR A 48 8.714 11.414 6.216 1.00 0.00 C ATOM 695 O THR A 48 9.284 11.412 5.126 1.00 0.00 O ATOM 696 CB THR A 48 9.295 9.866 8.070 1.00 0.00 C ATOM 697 OG1 THR A 48 10.580 9.586 7.562 1.00 0.00 O ATOM 698 CG2 THR A 48 8.815 8.690 8.907 1.00 0.00 C ATOM 0 H THR A 48 9.076 8.908 5.380 1.00 0.00 H new ATOM 0 HA THR A 48 7.310 10.244 7.306 1.00 0.00 H new ATOM 0 HB THR A 48 9.340 10.758 8.695 1.00 0.00 H new ATOM 0 HG1 THR A 48 11.197 9.424 8.305 1.00 0.00 H new ATOM 0 HG21 THR A 48 9.515 8.515 9.724 1.00 0.00 H new ATOM 0 HG22 THR A 48 7.829 8.912 9.315 1.00 0.00 H new ATOM 0 HG23 THR A 48 8.757 7.799 8.282 1.00 0.00 H new ATOM 706 N ARG A 49 8.386 12.522 6.884 1.00 0.00 N ATOM 707 CA ARG A 49 8.634 13.882 6.432 1.00 0.00 C ATOM 708 C ARG A 49 10.116 14.260 6.475 1.00 0.00 C ATOM 709 O ARG A 49 10.464 15.420 6.264 1.00 0.00 O ATOM 710 CB ARG A 49 7.751 14.823 7.259 1.00 0.00 C ATOM 711 CG ARG A 49 7.967 14.745 8.777 1.00 0.00 C ATOM 712 CD ARG A 49 9.281 15.383 9.222 1.00 0.00 C ATOM 713 NE ARG A 49 9.380 15.413 10.684 1.00 0.00 N ATOM 714 CZ ARG A 49 10.418 15.922 11.354 1.00 0.00 C ATOM 715 NH1 ARG A 49 11.455 16.452 10.712 1.00 0.00 N ATOM 716 NH2 ARG A 49 10.419 15.901 12.685 1.00 0.00 N ATOM 0 H ARG A 49 7.921 12.489 7.791 1.00 0.00 H new ATOM 0 HA ARG A 49 8.368 13.971 5.379 1.00 0.00 H new ATOM 0 HB2 ARG A 49 7.932 15.847 6.933 1.00 0.00 H new ATOM 0 HB3 ARG A 49 6.706 14.600 7.043 1.00 0.00 H new ATOM 0 HG2 ARG A 49 7.138 15.240 9.283 1.00 0.00 H new ATOM 0 HG3 ARG A 49 7.952 13.700 9.088 1.00 0.00 H new ATOM 0 HD2 ARG A 49 10.120 14.823 8.808 1.00 0.00 H new ATOM 0 HD3 ARG A 49 9.349 16.397 8.828 1.00 0.00 H new ATOM 0 HE ARG A 49 8.608 15.021 11.224 1.00 0.00 H new ATOM 0 HH11 ARG A 49 11.466 16.474 9.692 1.00 0.00 H new ATOM 0 HH12 ARG A 49 12.239 16.836 11.239 1.00 0.00 H new ATOM 0 HH21 ARG A 49 9.630 15.497 13.189 1.00 0.00 H new ATOM 0 HH22 ARG A 49 11.209 16.288 13.201 1.00 0.00 H new ATOM 730 N GLU A 50 10.989 13.285 6.747 1.00 0.00 N ATOM 731 CA GLU A 50 12.427 13.487 6.826 1.00 0.00 C ATOM 732 C GLU A 50 13.138 12.213 6.356 1.00 0.00 C ATOM 733 O GLU A 50 14.319 12.002 6.623 1.00 0.00 O ATOM 734 CB GLU A 50 12.807 13.845 8.263 1.00 0.00 C ATOM 735 CG GLU A 50 14.171 14.528 8.288 1.00 0.00 C ATOM 736 CD GLU A 50 14.112 15.914 7.650 1.00 0.00 C ATOM 737 OE1 GLU A 50 13.491 16.808 8.269 1.00 0.00 O ATOM 738 OE2 GLU A 50 14.687 16.072 6.550 1.00 0.00 O ATOM 0 H GLU A 50 10.705 12.321 6.920 1.00 0.00 H new ATOM 0 HA GLU A 50 12.736 14.309 6.180 1.00 0.00 H new ATOM 0 HB2 GLU A 50 12.053 14.504 8.694 1.00 0.00 H new ATOM 0 HB3 GLU A 50 12.831 12.944 8.877 1.00 0.00 H new ATOM 0 HG2 GLU A 50 14.517 14.614 9.318 1.00 0.00 H new ATOM 0 HG3 GLU A 50 14.898 13.912 7.758 1.00 0.00 H new ATOM 745 N GLY A 51 12.404 11.355 5.645 1.00 0.00 N ATOM 746 CA GLY A 51 12.894 10.082 5.170 1.00 0.00 C ATOM 747 C GLY A 51 12.670 9.965 3.672 1.00 0.00 C ATOM 748 O GLY A 51 12.656 10.960 2.950 1.00 0.00 O ATOM 0 H GLY A 51 11.435 11.539 5.384 1.00 0.00 H new ATOM 0 HA2 GLY A 51 13.956 9.985 5.396 1.00 0.00 H new ATOM 0 HA3 GLY A 51 12.382 9.270 5.687 1.00 0.00 H new ATOM 752 N ARG A 52 12.497 8.725 3.221 1.00 0.00 N ATOM 753 CA ARG A 52 12.490 8.359 1.805 1.00 0.00 C ATOM 754 C ARG A 52 11.719 7.062 1.588 1.00 0.00 C ATOM 755 O ARG A 52 11.721 6.510 0.491 1.00 0.00 O ATOM 756 CB ARG A 52 13.932 8.149 1.320 1.00 0.00 C ATOM 757 CG ARG A 52 14.736 9.442 1.184 1.00 0.00 C ATOM 758 CD ARG A 52 14.063 10.377 0.181 1.00 0.00 C ATOM 759 NE ARG A 52 14.924 11.520 -0.149 1.00 0.00 N ATOM 760 CZ ARG A 52 14.986 12.657 0.550 1.00 0.00 C ATOM 761 NH1 ARG A 52 14.245 12.837 1.640 1.00 0.00 N ATOM 762 NH2 ARG A 52 15.802 13.632 0.156 1.00 0.00 N ATOM 0 H ARG A 52 12.355 7.929 3.842 1.00 0.00 H new ATOM 0 HA ARG A 52 12.012 9.164 1.248 1.00 0.00 H new ATOM 0 HB2 ARG A 52 14.446 7.485 2.016 1.00 0.00 H new ATOM 0 HB3 ARG A 52 13.910 7.644 0.355 1.00 0.00 H new ATOM 0 HG2 ARG A 52 14.816 9.933 2.154 1.00 0.00 H new ATOM 0 HG3 ARG A 52 15.751 9.215 0.857 1.00 0.00 H new ATOM 0 HD2 ARG A 52 13.824 9.826 -0.728 1.00 0.00 H new ATOM 0 HD3 ARG A 52 13.120 10.737 0.593 1.00 0.00 H new ATOM 0 HE ARG A 52 15.519 11.440 -0.973 1.00 0.00 H new ATOM 0 HH11 ARG A 52 13.615 12.100 1.956 1.00 0.00 H new ATOM 0 HH12 ARG A 52 14.307 13.712 2.160 1.00 0.00 H new ATOM 0 HH21 ARG A 52 16.377 13.510 -0.677 1.00 0.00 H new ATOM 0 HH22 ARG A 52 15.852 14.501 0.687 1.00 0.00 H new ATOM 776 N GLN A 53 11.059 6.578 2.640 1.00 0.00 N ATOM 777 CA GLN A 53 10.421 5.272 2.653 1.00 0.00 C ATOM 778 C GLN A 53 9.149 5.200 1.798 1.00 0.00 C ATOM 779 O GLN A 53 8.405 4.226 1.875 1.00 0.00 O ATOM 780 CB GLN A 53 10.191 4.865 4.113 1.00 0.00 C ATOM 781 CG GLN A 53 10.663 3.434 4.381 1.00 0.00 C ATOM 782 CD GLN A 53 9.767 2.418 3.689 1.00 0.00 C ATOM 783 OE1 GLN A 53 10.203 1.689 2.801 1.00 0.00 O ATOM 784 NE2 GLN A 53 8.505 2.373 4.101 1.00 0.00 N ATOM 0 H GLN A 53 10.954 7.092 3.515 1.00 0.00 H new ATOM 0 HA GLN A 53 11.086 4.551 2.178 1.00 0.00 H new ATOM 0 HB2 GLN A 53 10.722 5.553 4.771 1.00 0.00 H new ATOM 0 HB3 GLN A 53 9.131 4.950 4.352 1.00 0.00 H new ATOM 0 HG2 GLN A 53 11.689 3.316 4.031 1.00 0.00 H new ATOM 0 HG3 GLN A 53 10.669 3.246 5.455 1.00 0.00 H new ATOM 0 HE21 GLN A 53 8.188 2.998 4.842 1.00 0.00 H new ATOM 0 HE22 GLN A 53 7.853 1.713 3.676 1.00 0.00 H new ATOM 793 N SER A 54 8.895 6.229 0.980 1.00 0.00 N ATOM 794 CA SER A 54 7.783 6.299 0.034 1.00 0.00 C ATOM 795 C SER A 54 7.894 5.252 -1.082 1.00 0.00 C ATOM 796 O SER A 54 7.967 5.599 -2.260 1.00 0.00 O ATOM 797 CB SER A 54 7.705 7.713 -0.546 1.00 0.00 C ATOM 798 OG SER A 54 6.558 7.843 -1.360 1.00 0.00 O ATOM 0 H SER A 54 9.481 7.064 0.961 1.00 0.00 H new ATOM 0 HA SER A 54 6.864 6.071 0.574 1.00 0.00 H new ATOM 0 HB2 SER A 54 7.672 8.444 0.262 1.00 0.00 H new ATOM 0 HB3 SER A 54 8.601 7.924 -1.130 1.00 0.00 H new ATOM 0 HG SER A 54 6.603 7.195 -2.094 1.00 0.00 H new ATOM 804 N GLY A 55 7.907 3.968 -0.720 1.00 0.00 N ATOM 805 CA GLY A 55 8.002 2.858 -1.658 1.00 0.00 C ATOM 806 C GLY A 55 7.034 1.758 -1.236 1.00 0.00 C ATOM 807 O GLY A 55 7.056 0.652 -1.774 1.00 0.00 O ATOM 0 H GLY A 55 7.850 3.669 0.254 1.00 0.00 H new ATOM 0 HA2 GLY A 55 7.767 3.198 -2.667 1.00 0.00 H new ATOM 0 HA3 GLY A 55 9.021 2.472 -1.681 1.00 0.00 H new ATOM 811 N GLU A 56 6.183 2.089 -0.261 1.00 0.00 N ATOM 812 CA GLU A 56 5.188 1.209 0.315 1.00 0.00 C ATOM 813 C GLU A 56 4.002 2.077 0.735 1.00 0.00 C ATOM 814 O GLU A 56 4.188 3.211 1.179 1.00 0.00 O ATOM 815 CB GLU A 56 5.824 0.486 1.503 1.00 0.00 C ATOM 816 CG GLU A 56 4.799 -0.418 2.173 1.00 0.00 C ATOM 817 CD GLU A 56 5.395 -1.141 3.380 1.00 0.00 C ATOM 818 OE1 GLU A 56 5.975 -0.449 4.245 1.00 0.00 O ATOM 819 OE2 GLU A 56 5.265 -2.385 3.423 1.00 0.00 O ATOM 0 H GLU A 56 6.176 3.018 0.159 1.00 0.00 H new ATOM 0 HA GLU A 56 4.836 0.454 -0.388 1.00 0.00 H new ATOM 0 HB2 GLU A 56 6.676 -0.104 1.166 1.00 0.00 H new ATOM 0 HB3 GLU A 56 6.204 1.213 2.221 1.00 0.00 H new ATOM 0 HG2 GLU A 56 3.941 0.175 2.490 1.00 0.00 H new ATOM 0 HG3 GLU A 56 4.432 -1.150 1.453 1.00 0.00 H new ATOM 826 N ALA A 57 2.783 1.551 0.597 1.00 0.00 N ATOM 827 CA ALA A 57 1.577 2.342 0.762 1.00 0.00 C ATOM 828 C ALA A 57 0.339 1.471 0.978 1.00 0.00 C ATOM 829 O ALA A 57 0.432 0.248 1.087 1.00 0.00 O ATOM 830 CB ALA A 57 1.412 3.159 -0.523 1.00 0.00 C ATOM 0 H ALA A 57 2.612 0.572 0.369 1.00 0.00 H new ATOM 0 HA ALA A 57 1.671 2.974 1.645 1.00 0.00 H new ATOM 0 HB1 ALA A 57 0.515 3.774 -0.450 1.00 0.00 H new ATOM 0 HB2 ALA A 57 2.282 3.801 -0.660 1.00 0.00 H new ATOM 0 HB3 ALA A 57 1.321 2.484 -1.374 1.00 0.00 H new ATOM 836 N PHE A 58 -0.826 2.125 1.038 1.00 0.00 N ATOM 837 CA PHE A 58 -2.128 1.478 1.096 1.00 0.00 C ATOM 838 C PHE A 58 -3.085 2.210 0.161 1.00 0.00 C ATOM 839 O PHE A 58 -2.821 3.338 -0.254 1.00 0.00 O ATOM 840 CB PHE A 58 -2.720 1.536 2.505 1.00 0.00 C ATOM 841 CG PHE A 58 -1.969 0.811 3.595 1.00 0.00 C ATOM 842 CD1 PHE A 58 -2.100 -0.575 3.764 1.00 0.00 C ATOM 843 CD2 PHE A 58 -1.145 1.545 4.454 1.00 0.00 C ATOM 844 CE1 PHE A 58 -1.437 -1.218 4.821 1.00 0.00 C ATOM 845 CE2 PHE A 58 -0.498 0.907 5.515 1.00 0.00 C ATOM 846 CZ PHE A 58 -0.642 -0.476 5.704 1.00 0.00 C ATOM 0 H PHE A 58 -0.884 3.143 1.047 1.00 0.00 H new ATOM 0 HA PHE A 58 -1.998 0.435 0.805 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -2.807 2.584 2.793 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -3.731 1.132 2.464 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -2.711 -1.147 3.081 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -1.009 2.605 4.297 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -1.540 -2.285 4.954 1.00 0.00 H new ATOM 0 HE2 PHE A 58 0.116 1.481 6.193 1.00 0.00 H new ATOM 0 HZ PHE A 58 -0.142 -0.966 6.526 1.00 0.00 H new ATOM 856 N VAL A 59 -4.200 1.557 -0.165 1.00 0.00 N ATOM 857 CA VAL A 59 -5.230 2.117 -1.024 1.00 0.00 C ATOM 858 C VAL A 59 -6.591 1.631 -0.539 1.00 0.00 C ATOM 859 O VAL A 59 -6.926 0.460 -0.703 1.00 0.00 O ATOM 860 CB VAL A 59 -4.994 1.674 -2.475 1.00 0.00 C ATOM 861 CG1 VAL A 59 -6.024 2.310 -3.408 1.00 0.00 C ATOM 862 CG2 VAL A 59 -3.608 2.088 -2.966 1.00 0.00 C ATOM 0 H VAL A 59 -4.411 0.615 0.166 1.00 0.00 H new ATOM 0 HA VAL A 59 -5.197 3.206 -0.985 1.00 0.00 H new ATOM 0 HB VAL A 59 -5.083 0.588 -2.490 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -5.839 1.983 -4.431 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -7.026 2.006 -3.105 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -5.943 3.396 -3.354 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -3.474 1.759 -3.996 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -3.513 3.173 -2.916 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -2.846 1.628 -2.336 1.00 0.00 H new ATOM 872 N GLU A 60 -7.382 2.525 0.059 1.00 0.00 N ATOM 873 CA GLU A 60 -8.741 2.182 0.450 1.00 0.00 C ATOM 874 C GLU A 60 -9.604 2.108 -0.804 1.00 0.00 C ATOM 875 O GLU A 60 -9.336 2.821 -1.769 1.00 0.00 O ATOM 876 CB GLU A 60 -9.315 3.243 1.390 1.00 0.00 C ATOM 877 CG GLU A 60 -8.521 3.346 2.691 1.00 0.00 C ATOM 878 CD GLU A 60 -9.236 4.270 3.676 1.00 0.00 C ATOM 879 OE1 GLU A 60 -9.143 5.504 3.486 1.00 0.00 O ATOM 880 OE2 GLU A 60 -9.872 3.735 4.611 1.00 0.00 O ATOM 0 H GLU A 60 -7.104 3.481 0.279 1.00 0.00 H new ATOM 0 HA GLU A 60 -8.733 1.223 0.969 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -9.315 4.210 0.888 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -10.353 3.002 1.617 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -8.401 2.356 3.131 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -7.520 3.726 2.485 1.00 0.00 H new ATOM 887 N LEU A 61 -10.638 1.260 -0.807 1.00 0.00 N ATOM 888 CA LEU A 61 -11.512 1.154 -1.966 1.00 0.00 C ATOM 889 C LEU A 61 -12.978 1.299 -1.574 1.00 0.00 C ATOM 890 O LEU A 61 -13.304 1.534 -0.410 1.00 0.00 O ATOM 891 CB LEU A 61 -11.296 -0.182 -2.677 1.00 0.00 C ATOM 892 CG LEU A 61 -9.815 -0.546 -2.839 1.00 0.00 C ATOM 893 CD1 LEU A 61 -9.708 -2.035 -3.127 1.00 0.00 C ATOM 894 CD2 LEU A 61 -9.189 0.216 -4.003 1.00 0.00 C ATOM 0 H LEU A 61 -10.883 0.648 -0.029 1.00 0.00 H new ATOM 0 HA LEU A 61 -11.258 1.968 -2.645 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -11.798 -0.970 -2.116 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -11.764 -0.143 -3.661 1.00 0.00 H new ATOM 0 HG LEU A 61 -9.289 -0.283 -1.921 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -8.659 -2.308 -3.245 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -10.139 -2.598 -2.299 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -10.249 -2.268 -4.044 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -8.139 -0.060 -4.096 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -9.713 -0.034 -4.925 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -9.267 1.288 -3.820 1.00 0.00 H new ATOM 906 N GLY A 62 -13.866 1.156 -2.560 1.00 0.00 N ATOM 907 CA GLY A 62 -15.287 1.378 -2.364 1.00 0.00 C ATOM 908 C GLY A 62 -16.062 0.112 -2.005 1.00 0.00 C ATOM 909 O GLY A 62 -17.007 0.189 -1.220 1.00 0.00 O ATOM 0 H GLY A 62 -13.615 0.884 -3.510 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -15.425 2.115 -1.572 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -15.708 1.805 -3.274 1.00 0.00 H new ATOM 913 N SER A 63 -15.682 -1.044 -2.562 1.00 0.00 N ATOM 914 CA SER A 63 -16.421 -2.285 -2.345 1.00 0.00 C ATOM 915 C SER A 63 -15.518 -3.510 -2.463 1.00 0.00 C ATOM 916 O SER A 63 -14.354 -3.403 -2.845 1.00 0.00 O ATOM 917 CB SER A 63 -17.536 -2.404 -3.389 1.00 0.00 C ATOM 918 OG SER A 63 -18.457 -1.338 -3.270 1.00 0.00 O ATOM 0 H SER A 63 -14.866 -1.142 -3.166 1.00 0.00 H new ATOM 0 HA SER A 63 -16.832 -2.251 -1.336 1.00 0.00 H new ATOM 0 HB2 SER A 63 -17.104 -2.406 -4.390 1.00 0.00 H new ATOM 0 HB3 SER A 63 -18.056 -3.354 -3.265 1.00 0.00 H new ATOM 0 HG SER A 63 -19.158 -1.435 -3.948 1.00 0.00 H new ATOM 924 N GLU A 64 -16.068 -4.683 -2.131 1.00 0.00 N ATOM 925 CA GLU A 64 -15.364 -5.952 -2.253 1.00 0.00 C ATOM 926 C GLU A 64 -14.934 -6.196 -3.697 1.00 0.00 C ATOM 927 O GLU A 64 -13.906 -6.822 -3.944 1.00 0.00 O ATOM 928 CB GLU A 64 -16.296 -7.078 -1.795 1.00 0.00 C ATOM 929 CG GLU A 64 -15.663 -8.454 -2.011 1.00 0.00 C ATOM 930 CD GLU A 64 -16.566 -9.560 -1.472 1.00 0.00 C ATOM 931 OE1 GLU A 64 -16.537 -9.784 -0.242 1.00 0.00 O ATOM 932 OE2 GLU A 64 -17.280 -10.175 -2.296 1.00 0.00 O ATOM 0 H GLU A 64 -17.018 -4.773 -1.769 1.00 0.00 H new ATOM 0 HA GLU A 64 -14.469 -5.926 -1.631 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -16.534 -6.948 -0.739 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -17.236 -7.019 -2.343 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -15.482 -8.613 -3.074 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -14.694 -8.495 -1.513 1.00 0.00 H new ATOM 939 N ASP A 65 -15.710 -5.706 -4.665 1.00 0.00 N ATOM 940 CA ASP A 65 -15.379 -5.929 -6.060 1.00 0.00 C ATOM 941 C ASP A 65 -14.091 -5.196 -6.435 1.00 0.00 C ATOM 942 O ASP A 65 -13.374 -5.630 -7.331 1.00 0.00 O ATOM 943 CB ASP A 65 -16.550 -5.460 -6.926 1.00 0.00 C ATOM 944 CG ASP A 65 -16.366 -5.846 -8.391 1.00 0.00 C ATOM 945 OD1 ASP A 65 -16.132 -7.048 -8.648 1.00 0.00 O ATOM 946 OD2 ASP A 65 -16.459 -4.935 -9.243 1.00 0.00 O ATOM 0 H ASP A 65 -16.558 -5.161 -4.506 1.00 0.00 H new ATOM 0 HA ASP A 65 -15.208 -6.992 -6.230 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -17.476 -5.894 -6.550 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -16.650 -4.378 -6.846 1.00 0.00 H new ATOM 951 N ASP A 66 -13.791 -4.085 -5.753 1.00 0.00 N ATOM 952 CA ASP A 66 -12.591 -3.315 -6.023 1.00 0.00 C ATOM 953 C ASP A 66 -11.369 -3.991 -5.409 1.00 0.00 C ATOM 954 O ASP A 66 -10.307 -4.008 -6.029 1.00 0.00 O ATOM 955 CB ASP A 66 -12.761 -1.915 -5.438 1.00 0.00 C ATOM 956 CG ASP A 66 -13.888 -1.150 -6.123 1.00 0.00 C ATOM 957 OD1 ASP A 66 -13.680 -0.739 -7.286 1.00 0.00 O ATOM 958 OD2 ASP A 66 -14.946 -0.983 -5.478 1.00 0.00 O ATOM 0 H ASP A 66 -14.373 -3.704 -5.007 1.00 0.00 H new ATOM 0 HA ASP A 66 -12.439 -3.252 -7.100 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -12.968 -1.989 -4.370 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -11.828 -1.361 -5.544 1.00 0.00 H new ATOM 963 N VAL A 67 -11.492 -4.551 -4.199 1.00 0.00 N ATOM 964 CA VAL A 67 -10.355 -5.212 -3.570 1.00 0.00 C ATOM 965 C VAL A 67 -10.022 -6.479 -4.337 1.00 0.00 C ATOM 966 O VAL A 67 -8.850 -6.784 -4.532 1.00 0.00 O ATOM 967 CB VAL A 67 -10.607 -5.486 -2.079 1.00 0.00 C ATOM 968 CG1 VAL A 67 -12.022 -5.950 -1.774 1.00 0.00 C ATOM 969 CG2 VAL A 67 -9.643 -6.534 -1.525 1.00 0.00 C ATOM 0 H VAL A 67 -12.351 -4.558 -3.650 1.00 0.00 H new ATOM 0 HA VAL A 67 -9.493 -4.546 -3.610 1.00 0.00 H new ATOM 0 HB VAL A 67 -10.446 -4.522 -1.596 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -12.125 -6.124 -0.703 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -12.732 -5.184 -2.087 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -12.225 -6.875 -2.313 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -9.854 -6.700 -0.468 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -9.769 -7.469 -2.071 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -8.618 -6.182 -1.640 1.00 0.00 H new ATOM 979 N LYS A 68 -11.034 -7.226 -4.780 1.00 0.00 N ATOM 980 CA LYS A 68 -10.798 -8.424 -5.563 1.00 0.00 C ATOM 981 C LYS A 68 -10.076 -8.066 -6.859 1.00 0.00 C ATOM 982 O LYS A 68 -9.122 -8.744 -7.234 1.00 0.00 O ATOM 983 CB LYS A 68 -12.146 -9.095 -5.828 1.00 0.00 C ATOM 984 CG LYS A 68 -12.691 -9.671 -4.517 1.00 0.00 C ATOM 985 CD LYS A 68 -14.151 -10.102 -4.659 1.00 0.00 C ATOM 986 CE LYS A 68 -14.302 -11.213 -5.690 1.00 0.00 C ATOM 987 NZ LYS A 68 -15.707 -11.646 -5.808 1.00 0.00 N ATOM 0 H LYS A 68 -12.018 -7.018 -4.607 1.00 0.00 H new ATOM 0 HA LYS A 68 -10.158 -9.121 -5.022 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -12.850 -8.373 -6.242 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -12.032 -9.888 -6.567 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -12.086 -10.526 -4.214 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -12.606 -8.925 -3.727 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -14.527 -10.444 -3.695 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -14.758 -9.246 -4.952 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -13.944 -10.864 -6.659 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -13.680 -12.062 -5.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -15.779 -12.403 -6.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -16.039 -12.000 -4.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -16.295 -10.840 -6.102 1.00 0.00 H new ATOM 1001 N MET A 69 -10.522 -7.006 -7.543 1.00 0.00 N ATOM 1002 CA MET A 69 -9.922 -6.585 -8.801 1.00 0.00 C ATOM 1003 C MET A 69 -8.531 -5.984 -8.609 1.00 0.00 C ATOM 1004 O MET A 69 -7.719 -6.034 -9.530 1.00 0.00 O ATOM 1005 CB MET A 69 -10.831 -5.566 -9.486 1.00 0.00 C ATOM 1006 CG MET A 69 -11.997 -6.280 -10.169 1.00 0.00 C ATOM 1007 SD MET A 69 -12.947 -5.238 -11.307 1.00 0.00 S ATOM 1008 CE MET A 69 -13.362 -3.871 -10.194 1.00 0.00 C ATOM 0 H MET A 69 -11.303 -6.424 -7.238 1.00 0.00 H new ATOM 0 HA MET A 69 -9.811 -7.473 -9.424 1.00 0.00 H new ATOM 0 HB2 MET A 69 -11.209 -4.854 -8.753 1.00 0.00 H new ATOM 0 HB3 MET A 69 -10.263 -4.996 -10.221 1.00 0.00 H new ATOM 0 HG2 MET A 69 -11.610 -7.139 -10.718 1.00 0.00 H new ATOM 0 HG3 MET A 69 -12.669 -6.668 -9.403 1.00 0.00 H new ATOM 0 HE1 MET A 69 -13.967 -3.138 -10.728 1.00 0.00 H new ATOM 0 HE2 MET A 69 -13.924 -4.253 -9.342 1.00 0.00 H new ATOM 0 HE3 MET A 69 -12.446 -3.398 -9.842 1.00 0.00 H new ATOM 1018 N ALA A 70 -8.240 -5.418 -7.435 1.00 0.00 N ATOM 1019 CA ALA A 70 -6.919 -4.875 -7.155 1.00 0.00 C ATOM 1020 C ALA A 70 -5.898 -6.001 -6.984 1.00 0.00 C ATOM 1021 O ALA A 70 -4.726 -5.833 -7.313 1.00 0.00 O ATOM 1022 CB ALA A 70 -6.993 -4.019 -5.892 1.00 0.00 C ATOM 0 H ALA A 70 -8.905 -5.326 -6.667 1.00 0.00 H new ATOM 0 HA ALA A 70 -6.595 -4.258 -7.993 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -6.008 -3.607 -5.673 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -7.701 -3.204 -6.045 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -7.323 -4.634 -5.055 1.00 0.00 H new ATOM 1028 N LEU A 71 -6.342 -7.151 -6.469 1.00 0.00 N ATOM 1029 CA LEU A 71 -5.487 -8.308 -6.256 1.00 0.00 C ATOM 1030 C LEU A 71 -5.201 -9.048 -7.563 1.00 0.00 C ATOM 1031 O LEU A 71 -4.249 -9.822 -7.634 1.00 0.00 O ATOM 1032 CB LEU A 71 -6.166 -9.232 -5.243 1.00 0.00 C ATOM 1033 CG LEU A 71 -6.336 -8.516 -3.900 1.00 0.00 C ATOM 1034 CD1 LEU A 71 -7.244 -9.332 -2.984 1.00 0.00 C ATOM 1035 CD2 LEU A 71 -4.991 -8.292 -3.224 1.00 0.00 C ATOM 0 H LEU A 71 -7.311 -7.300 -6.189 1.00 0.00 H new ATOM 0 HA LEU A 71 -4.524 -7.975 -5.869 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -7.139 -9.545 -5.622 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -5.571 -10.135 -5.108 1.00 0.00 H new ATOM 0 HG LEU A 71 -6.791 -7.544 -4.090 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -7.359 -8.815 -2.031 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -8.221 -9.451 -3.452 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -6.801 -10.313 -2.813 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -5.142 -7.782 -2.273 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -4.508 -9.253 -3.048 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -4.358 -7.680 -3.867 1.00 0.00 H new ATOM 1047 N LYS A 72 -6.014 -8.823 -8.603 1.00 0.00 N ATOM 1048 CA LYS A 72 -5.792 -9.437 -9.913 1.00 0.00 C ATOM 1049 C LYS A 72 -4.509 -8.958 -10.594 1.00 0.00 C ATOM 1050 O LYS A 72 -4.137 -9.506 -11.631 1.00 0.00 O ATOM 1051 CB LYS A 72 -6.974 -9.160 -10.842 1.00 0.00 C ATOM 1052 CG LYS A 72 -8.290 -9.716 -10.298 1.00 0.00 C ATOM 1053 CD LYS A 72 -8.232 -11.227 -10.072 1.00 0.00 C ATOM 1054 CE LYS A 72 -9.522 -11.675 -9.391 1.00 0.00 C ATOM 1055 NZ LYS A 72 -9.540 -13.137 -9.189 1.00 0.00 N ATOM 0 H LYS A 72 -6.834 -8.218 -8.559 1.00 0.00 H new ATOM 0 HA LYS A 72 -5.691 -10.506 -9.728 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -7.071 -8.084 -10.990 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -6.774 -9.599 -11.819 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -8.531 -9.219 -9.358 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -9.095 -9.486 -10.996 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -8.108 -11.746 -11.023 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -7.371 -11.483 -9.454 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -9.622 -11.171 -8.430 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -10.378 -11.379 -9.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -10.429 -13.412 -8.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -9.468 -13.616 -10.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -8.736 -13.415 -8.591 1.00 0.00 H new ATOM 1069 N LYS A 73 -3.830 -7.950 -10.035 1.00 0.00 N ATOM 1070 CA LYS A 73 -2.585 -7.439 -10.592 1.00 0.00 C ATOM 1071 C LYS A 73 -1.541 -7.252 -9.497 1.00 0.00 C ATOM 1072 O LYS A 73 -0.642 -6.421 -9.604 1.00 0.00 O ATOM 1073 CB LYS A 73 -2.832 -6.152 -11.383 1.00 0.00 C ATOM 1074 CG LYS A 73 -3.312 -5.008 -10.495 1.00 0.00 C ATOM 1075 CD LYS A 73 -4.835 -4.909 -10.436 1.00 0.00 C ATOM 1076 CE LYS A 73 -5.397 -4.456 -11.784 1.00 0.00 C ATOM 1077 NZ LYS A 73 -6.865 -4.317 -11.726 1.00 0.00 N ATOM 0 H LYS A 73 -4.132 -7.471 -9.187 1.00 0.00 H new ATOM 0 HA LYS A 73 -2.188 -8.174 -11.292 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -1.912 -5.856 -11.887 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -3.574 -6.342 -12.159 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -2.921 -5.147 -9.487 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -2.905 -4.068 -10.868 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -5.258 -5.877 -10.166 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -5.129 -4.205 -9.658 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -4.949 -3.503 -12.067 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -5.127 -5.177 -12.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -7.244 -4.226 -12.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -7.276 -5.157 -11.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -7.112 -3.469 -11.176 1.00 0.00 H new ATOM 1091 N ASP A 74 -1.691 -8.050 -8.442 1.00 0.00 N ATOM 1092 CA ASP A 74 -0.854 -8.072 -7.251 1.00 0.00 C ATOM 1093 C ASP A 74 0.669 -8.084 -7.457 1.00 0.00 C ATOM 1094 O ASP A 74 1.392 -7.979 -6.467 1.00 0.00 O ATOM 1095 CB ASP A 74 -1.319 -9.230 -6.367 1.00 0.00 C ATOM 1096 CG ASP A 74 -1.255 -10.596 -7.053 1.00 0.00 C ATOM 1097 OD1 ASP A 74 -0.725 -10.676 -8.184 1.00 0.00 O ATOM 1098 OD2 ASP A 74 -1.744 -11.563 -6.427 1.00 0.00 O ATOM 0 H ASP A 74 -2.444 -8.737 -8.396 1.00 0.00 H new ATOM 0 HA ASP A 74 -0.998 -7.105 -6.769 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -0.705 -9.257 -5.467 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -2.344 -9.042 -6.048 1.00 0.00 H new ATOM 1103 N ARG A 75 1.182 -8.208 -8.688 1.00 0.00 N ATOM 1104 CA ARG A 75 2.613 -8.063 -8.957 1.00 0.00 C ATOM 1105 C ARG A 75 2.905 -7.659 -10.405 1.00 0.00 C ATOM 1106 O ARG A 75 3.973 -7.974 -10.930 1.00 0.00 O ATOM 1107 CB ARG A 75 3.389 -9.311 -8.541 1.00 0.00 C ATOM 1108 CG ARG A 75 2.733 -10.599 -9.019 1.00 0.00 C ATOM 1109 CD ARG A 75 3.650 -11.743 -8.613 1.00 0.00 C ATOM 1110 NE ARG A 75 3.089 -13.042 -9.001 1.00 0.00 N ATOM 1111 CZ ARG A 75 3.658 -14.214 -8.705 1.00 0.00 C ATOM 1112 NH1 ARG A 75 4.797 -14.266 -8.017 1.00 0.00 N ATOM 1113 NH2 ARG A 75 3.084 -15.348 -9.100 1.00 0.00 N ATOM 0 H ARG A 75 0.621 -8.410 -9.516 1.00 0.00 H new ATOM 0 HA ARG A 75 2.966 -7.238 -8.338 1.00 0.00 H new ATOM 0 HB2 ARG A 75 4.401 -9.254 -8.941 1.00 0.00 H new ATOM 0 HB3 ARG A 75 3.476 -9.334 -7.455 1.00 0.00 H new ATOM 0 HG2 ARG A 75 1.746 -10.718 -8.571 1.00 0.00 H new ATOM 0 HG3 ARG A 75 2.593 -10.582 -10.100 1.00 0.00 H new ATOM 0 HD2 ARG A 75 4.626 -11.612 -9.080 1.00 0.00 H new ATOM 0 HD3 ARG A 75 3.807 -11.720 -7.535 1.00 0.00 H new ATOM 0 HE ARG A 75 2.215 -13.051 -9.527 1.00 0.00 H new ATOM 0 HH11 ARG A 75 5.246 -13.404 -7.709 1.00 0.00 H new ATOM 0 HH12 ARG A 75 5.220 -15.168 -7.798 1.00 0.00 H new ATOM 0 HH21 ARG A 75 2.211 -15.321 -9.628 1.00 0.00 H new ATOM 0 HH22 ARG A 75 3.517 -16.244 -8.875 1.00 0.00 H new ATOM 1127 N GLU A 76 1.970 -6.963 -11.062 1.00 0.00 N ATOM 1128 CA GLU A 76 2.170 -6.490 -12.429 1.00 0.00 C ATOM 1129 C GLU A 76 3.146 -5.311 -12.486 1.00 0.00 C ATOM 1130 O GLU A 76 3.967 -5.110 -11.592 1.00 0.00 O ATOM 1131 CB GLU A 76 0.838 -6.086 -13.065 1.00 0.00 C ATOM 1132 CG GLU A 76 -0.146 -7.247 -13.050 1.00 0.00 C ATOM 1133 CD GLU A 76 0.460 -8.533 -13.606 1.00 0.00 C ATOM 1134 OE1 GLU A 76 0.825 -8.531 -14.803 1.00 0.00 O ATOM 1135 OE2 GLU A 76 0.553 -9.511 -12.830 1.00 0.00 O ATOM 0 H GLU A 76 1.064 -6.716 -10.663 1.00 0.00 H new ATOM 0 HA GLU A 76 2.601 -7.317 -12.992 1.00 0.00 H new ATOM 0 HB2 GLU A 76 0.415 -5.239 -12.525 1.00 0.00 H new ATOM 0 HB3 GLU A 76 1.005 -5.759 -14.091 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -0.483 -7.420 -12.028 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -1.026 -6.981 -13.635 1.00 0.00 H new ATOM 1142 N SER A 77 3.045 -4.527 -13.562 1.00 0.00 N ATOM 1143 CA SER A 77 3.912 -3.388 -13.821 1.00 0.00 C ATOM 1144 C SER A 77 3.126 -2.279 -14.514 1.00 0.00 C ATOM 1145 O SER A 77 2.155 -2.551 -15.222 1.00 0.00 O ATOM 1146 CB SER A 77 5.063 -3.853 -14.715 1.00 0.00 C ATOM 1147 OG SER A 77 5.813 -2.749 -15.180 1.00 0.00 O ATOM 0 H SER A 77 2.343 -4.674 -14.288 1.00 0.00 H new ATOM 0 HA SER A 77 4.303 -2.995 -12.883 1.00 0.00 H new ATOM 0 HB2 SER A 77 5.711 -4.531 -14.159 1.00 0.00 H new ATOM 0 HB3 SER A 77 4.668 -4.413 -15.562 1.00 0.00 H new ATOM 0 HG SER A 77 6.012 -2.150 -14.430 1.00 0.00 H new ATOM 1153 N MET A 78 3.543 -1.025 -14.314 1.00 0.00 N ATOM 1154 CA MET A 78 2.945 0.116 -14.997 1.00 0.00 C ATOM 1155 C MET A 78 3.357 0.131 -16.468 1.00 0.00 C ATOM 1156 O MET A 78 2.790 0.880 -17.263 1.00 0.00 O ATOM 1157 CB MET A 78 3.398 1.417 -14.331 1.00 0.00 C ATOM 1158 CG MET A 78 2.798 1.549 -12.935 1.00 0.00 C ATOM 1159 SD MET A 78 3.297 3.057 -12.067 1.00 0.00 S ATOM 1160 CE MET A 78 2.277 2.872 -10.583 1.00 0.00 C ATOM 0 H MET A 78 4.300 -0.778 -13.677 1.00 0.00 H new ATOM 0 HA MET A 78 1.860 0.030 -14.931 1.00 0.00 H new ATOM 0 HB2 MET A 78 4.486 1.439 -14.268 1.00 0.00 H new ATOM 0 HB3 MET A 78 3.097 2.268 -14.943 1.00 0.00 H new ATOM 0 HG2 MET A 78 1.711 1.528 -13.013 1.00 0.00 H new ATOM 0 HG3 MET A 78 3.091 0.684 -12.340 1.00 0.00 H new ATOM 0 HE1 MET A 78 2.654 3.528 -9.798 1.00 0.00 H new ATOM 0 HE2 MET A 78 1.246 3.139 -10.815 1.00 0.00 H new ATOM 0 HE3 MET A 78 2.316 1.838 -10.241 1.00 0.00 H new ATOM 1170 N GLY A 79 4.344 -0.696 -16.827 1.00 0.00 N ATOM 1171 CA GLY A 79 4.861 -0.786 -18.182 1.00 0.00 C ATOM 1172 C GLY A 79 6.384 -0.676 -18.197 1.00 0.00 C ATOM 1173 O GLY A 79 7.007 -0.948 -19.222 1.00 0.00 O ATOM 0 H GLY A 79 4.807 -1.326 -16.172 1.00 0.00 H new ATOM 0 HA2 GLY A 79 4.557 -1.733 -18.628 1.00 0.00 H new ATOM 0 HA3 GLY A 79 4.430 0.007 -18.793 1.00 0.00 H new ATOM 1177 N HIS A 80 6.985 -0.279 -17.067 1.00 0.00 N ATOM 1178 CA HIS A 80 8.423 -0.077 -16.977 1.00 0.00 C ATOM 1179 C HIS A 80 8.997 -0.456 -15.609 1.00 0.00 C ATOM 1180 O HIS A 80 10.219 -0.479 -15.460 1.00 0.00 O ATOM 1181 CB HIS A 80 8.739 1.394 -17.264 1.00 0.00 C ATOM 1182 CG HIS A 80 8.254 1.869 -18.608 1.00 0.00 C ATOM 1183 ND1 HIS A 80 7.160 2.671 -18.844 1.00 0.00 N ATOM 1184 CD2 HIS A 80 8.817 1.586 -19.823 1.00 0.00 C ATOM 1185 CE1 HIS A 80 7.074 2.866 -20.171 1.00 0.00 C ATOM 1186 NE2 HIS A 80 8.064 2.224 -20.816 1.00 0.00 N ATOM 0 H HIS A 80 6.484 -0.092 -16.198 1.00 0.00 H new ATOM 0 HA HIS A 80 8.888 -0.733 -17.713 1.00 0.00 H new ATOM 0 HB2 HIS A 80 8.288 2.011 -16.487 1.00 0.00 H new ATOM 0 HB3 HIS A 80 9.817 1.543 -17.204 1.00 0.00 H new ATOM 0 HD2 HIS A 80 9.692 0.975 -19.988 1.00 0.00 H new ATOM 0 HE1 HIS A 80 6.312 3.459 -20.655 1.00 0.00 H new ATOM 0 HE2 HIS A 80 8.232 2.206 -21.822 1.00 0.00 H new ATOM 1194 N ARG A 81 8.157 -0.753 -14.608 1.00 0.00 N ATOM 1195 CA ARG A 81 8.658 -1.112 -13.286 1.00 0.00 C ATOM 1196 C ARG A 81 7.632 -1.910 -12.479 1.00 0.00 C ATOM 1197 O ARG A 81 6.427 -1.703 -12.592 1.00 0.00 O ATOM 1198 CB ARG A 81 9.057 0.167 -12.541 1.00 0.00 C ATOM 1199 CG ARG A 81 9.752 -0.114 -11.205 1.00 0.00 C ATOM 1200 CD ARG A 81 11.045 -0.911 -11.388 1.00 0.00 C ATOM 1201 NE ARG A 81 11.695 -1.169 -10.098 1.00 0.00 N ATOM 1202 CZ ARG A 81 12.920 -1.685 -9.969 1.00 0.00 C ATOM 1203 NH1 ARG A 81 13.636 -2.024 -11.040 1.00 0.00 N ATOM 1204 NH2 ARG A 81 13.438 -1.864 -8.759 1.00 0.00 N ATOM 0 H ARG A 81 7.140 -0.751 -14.692 1.00 0.00 H new ATOM 0 HA ARG A 81 9.528 -1.757 -13.410 1.00 0.00 H new ATOM 0 HB2 ARG A 81 9.720 0.758 -13.173 1.00 0.00 H new ATOM 0 HB3 ARG A 81 8.167 0.770 -12.362 1.00 0.00 H new ATOM 0 HG2 ARG A 81 9.975 0.830 -10.707 1.00 0.00 H new ATOM 0 HG3 ARG A 81 9.075 -0.666 -10.553 1.00 0.00 H new ATOM 0 HD2 ARG A 81 10.826 -1.857 -11.883 1.00 0.00 H new ATOM 0 HD3 ARG A 81 11.726 -0.361 -12.038 1.00 0.00 H new ATOM 0 HE ARG A 81 11.180 -0.940 -9.248 1.00 0.00 H new ATOM 0 HH11 ARG A 81 13.250 -1.891 -11.975 1.00 0.00 H new ATOM 0 HH12 ARG A 81 14.570 -2.417 -10.925 1.00 0.00 H new ATOM 0 HH21 ARG A 81 12.900 -1.608 -7.931 1.00 0.00 H new ATOM 0 HH22 ARG A 81 14.373 -2.258 -8.658 1.00 0.00 H new ATOM 1218 N TYR A 82 8.156 -2.825 -11.662 1.00 0.00 N ATOM 1219 CA TYR A 82 7.435 -3.759 -10.811 1.00 0.00 C ATOM 1220 C TYR A 82 6.597 -3.029 -9.765 1.00 0.00 C ATOM 1221 O TYR A 82 7.089 -2.160 -9.041 1.00 0.00 O ATOM 1222 CB TYR A 82 8.535 -4.636 -10.202 1.00 0.00 C ATOM 1223 CG TYR A 82 8.226 -5.727 -9.192 1.00 0.00 C ATOM 1224 CD1 TYR A 82 6.942 -6.264 -8.975 1.00 0.00 C ATOM 1225 CD2 TYR A 82 9.315 -6.208 -8.454 1.00 0.00 C ATOM 1226 CE1 TYR A 82 6.761 -7.281 -8.018 1.00 0.00 C ATOM 1227 CE2 TYR A 82 9.144 -7.222 -7.508 1.00 0.00 C ATOM 1228 CZ TYR A 82 7.867 -7.770 -7.292 1.00 0.00 C ATOM 1229 OH TYR A 82 7.717 -8.773 -6.382 1.00 0.00 O ATOM 0 H TYR A 82 9.166 -2.937 -11.575 1.00 0.00 H new ATOM 0 HA TYR A 82 6.707 -4.360 -11.356 1.00 0.00 H new ATOM 0 HB2 TYR A 82 9.052 -5.115 -11.034 1.00 0.00 H new ATOM 0 HB3 TYR A 82 9.249 -3.962 -9.728 1.00 0.00 H new ATOM 0 HD1 TYR A 82 6.099 -5.897 -9.541 1.00 0.00 H new ATOM 0 HD2 TYR A 82 10.297 -5.791 -8.618 1.00 0.00 H new ATOM 0 HE1 TYR A 82 5.776 -7.686 -7.840 1.00 0.00 H new ATOM 0 HE2 TYR A 82 9.991 -7.584 -6.944 1.00 0.00 H new ATOM 0 HH TYR A 82 6.824 -8.720 -5.981 1.00 0.00 H new ATOM 1239 N ILE A 83 5.317 -3.405 -9.703 1.00 0.00 N ATOM 1240 CA ILE A 83 4.365 -2.909 -8.726 1.00 0.00 C ATOM 1241 C ILE A 83 3.787 -4.122 -8.012 1.00 0.00 C ATOM 1242 O ILE A 83 3.906 -5.241 -8.502 1.00 0.00 O ATOM 1243 CB ILE A 83 3.222 -2.134 -9.401 1.00 0.00 C ATOM 1244 CG1 ILE A 83 3.707 -1.095 -10.414 1.00 0.00 C ATOM 1245 CG2 ILE A 83 2.340 -1.442 -8.353 1.00 0.00 C ATOM 1246 CD1 ILE A 83 4.524 0.033 -9.789 1.00 0.00 C ATOM 0 H ILE A 83 4.911 -4.080 -10.351 1.00 0.00 H new ATOM 0 HA ILE A 83 4.866 -2.229 -8.037 1.00 0.00 H new ATOM 0 HB ILE A 83 2.644 -2.879 -9.948 1.00 0.00 H new ATOM 0 HG12 ILE A 83 4.311 -1.593 -11.172 1.00 0.00 H new ATOM 0 HG13 ILE A 83 2.844 -0.668 -10.925 1.00 0.00 H new ATOM 0 HG21 ILE A 83 1.538 -0.900 -8.853 1.00 0.00 H new ATOM 0 HG22 ILE A 83 1.911 -2.191 -7.687 1.00 0.00 H new ATOM 0 HG23 ILE A 83 2.944 -0.744 -7.773 1.00 0.00 H new ATOM 0 HD11 ILE A 83 4.834 0.732 -10.566 1.00 0.00 H new ATOM 0 HD12 ILE A 83 3.916 0.557 -9.051 1.00 0.00 H new ATOM 0 HD13 ILE A 83 5.406 -0.383 -9.302 1.00 0.00 H new ATOM 1258 N GLU A 84 3.164 -3.910 -6.857 1.00 0.00 N ATOM 1259 CA GLU A 84 2.592 -4.994 -6.083 1.00 0.00 C ATOM 1260 C GLU A 84 1.341 -4.555 -5.335 1.00 0.00 C ATOM 1261 O GLU A 84 1.130 -3.368 -5.094 1.00 0.00 O ATOM 1262 CB GLU A 84 3.639 -5.454 -5.076 1.00 0.00 C ATOM 1263 CG GLU A 84 4.513 -6.551 -5.674 1.00 0.00 C ATOM 1264 CD GLU A 84 5.417 -7.154 -4.605 1.00 0.00 C ATOM 1265 OE1 GLU A 84 5.863 -6.375 -3.734 1.00 0.00 O ATOM 1266 OE2 GLU A 84 5.651 -8.382 -4.666 1.00 0.00 O ATOM 0 H GLU A 84 3.045 -2.988 -6.438 1.00 0.00 H new ATOM 0 HA GLU A 84 2.307 -5.799 -6.761 1.00 0.00 H new ATOM 0 HB2 GLU A 84 4.260 -4.609 -4.777 1.00 0.00 H new ATOM 0 HB3 GLU A 84 3.148 -5.823 -4.176 1.00 0.00 H new ATOM 0 HG2 GLU A 84 3.885 -7.329 -6.109 1.00 0.00 H new ATOM 0 HG3 GLU A 84 5.119 -6.142 -6.483 1.00 0.00 H new ATOM 1273 N VAL A 85 0.513 -5.539 -4.972 1.00 0.00 N ATOM 1274 CA VAL A 85 -0.709 -5.329 -4.208 1.00 0.00 C ATOM 1275 C VAL A 85 -0.885 -6.516 -3.270 1.00 0.00 C ATOM 1276 O VAL A 85 -0.381 -7.605 -3.538 1.00 0.00 O ATOM 1277 CB VAL A 85 -1.936 -5.226 -5.129 1.00 0.00 C ATOM 1278 CG1 VAL A 85 -3.107 -4.571 -4.396 1.00 0.00 C ATOM 1279 CG2 VAL A 85 -1.654 -4.409 -6.386 1.00 0.00 C ATOM 0 H VAL A 85 0.680 -6.517 -5.207 1.00 0.00 H new ATOM 0 HA VAL A 85 -0.628 -4.394 -3.654 1.00 0.00 H new ATOM 0 HB VAL A 85 -2.183 -6.247 -5.419 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -3.965 -4.507 -5.065 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -3.370 -5.169 -3.524 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -2.821 -3.569 -4.076 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -2.552 -4.367 -7.002 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -1.360 -3.398 -6.104 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -0.848 -4.877 -6.951 1.00 0.00 H new ATOM 1289 N PHE A 86 -1.602 -6.310 -2.168 1.00 0.00 N ATOM 1290 CA PHE A 86 -1.877 -7.366 -1.205 1.00 0.00 C ATOM 1291 C PHE A 86 -3.144 -6.988 -0.448 1.00 0.00 C ATOM 1292 O PHE A 86 -3.477 -5.810 -0.353 1.00 0.00 O ATOM 1293 CB PHE A 86 -0.665 -7.494 -0.280 1.00 0.00 C ATOM 1294 CG PHE A 86 -0.581 -8.751 0.556 1.00 0.00 C ATOM 1295 CD1 PHE A 86 -1.267 -8.817 1.775 1.00 0.00 C ATOM 1296 CD2 PHE A 86 0.188 -9.846 0.126 1.00 0.00 C ATOM 1297 CE1 PHE A 86 -1.173 -9.957 2.582 1.00 0.00 C ATOM 1298 CE2 PHE A 86 0.297 -10.979 0.943 1.00 0.00 C ATOM 1299 CZ PHE A 86 -0.386 -11.039 2.166 1.00 0.00 C ATOM 0 H PHE A 86 -2.007 -5.407 -1.920 1.00 0.00 H new ATOM 0 HA PHE A 86 -2.039 -8.332 -1.682 1.00 0.00 H new ATOM 0 HB2 PHE A 86 0.237 -7.429 -0.889 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -0.658 -6.636 0.393 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -1.873 -7.982 2.095 1.00 0.00 H new ATOM 0 HD2 PHE A 86 0.692 -9.814 -0.829 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -1.705 -10.002 3.521 1.00 0.00 H new ATOM 0 HE2 PHE A 86 0.910 -11.811 0.629 1.00 0.00 H new ATOM 0 HZ PHE A 86 -0.306 -11.919 2.787 1.00 0.00 H new ATOM 1309 N LYS A 87 -3.865 -7.968 0.094 1.00 0.00 N ATOM 1310 CA LYS A 87 -5.148 -7.694 0.717 1.00 0.00 C ATOM 1311 C LYS A 87 -4.965 -7.070 2.100 1.00 0.00 C ATOM 1312 O LYS A 87 -3.970 -7.318 2.774 1.00 0.00 O ATOM 1313 CB LYS A 87 -5.956 -8.990 0.756 1.00 0.00 C ATOM 1314 CG LYS A 87 -7.431 -8.670 0.978 1.00 0.00 C ATOM 1315 CD LYS A 87 -8.288 -9.930 0.851 1.00 0.00 C ATOM 1316 CE LYS A 87 -9.762 -9.546 0.971 1.00 0.00 C ATOM 1317 NZ LYS A 87 -10.640 -10.728 0.862 1.00 0.00 N ATOM 0 H LYS A 87 -3.582 -8.948 0.112 1.00 0.00 H new ATOM 0 HA LYS A 87 -5.702 -6.960 0.131 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -5.829 -9.537 -0.178 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -5.590 -9.634 1.555 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -7.567 -8.231 1.966 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -7.759 -7.927 0.251 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -8.103 -10.416 -0.107 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -8.021 -10.646 1.628 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -9.933 -9.051 1.927 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -10.017 -8.829 0.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -11.634 -10.422 0.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -10.422 -11.243 -0.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -10.484 -11.353 1.679 1.00 0.00 H new ATOM 1331 N SER A 88 -5.934 -6.256 2.522 1.00 0.00 N ATOM 1332 CA SER A 88 -5.870 -5.552 3.798 1.00 0.00 C ATOM 1333 C SER A 88 -7.262 -5.422 4.418 1.00 0.00 C ATOM 1334 O SER A 88 -8.252 -5.870 3.842 1.00 0.00 O ATOM 1335 CB SER A 88 -5.224 -4.181 3.589 1.00 0.00 C ATOM 1336 OG SER A 88 -5.000 -3.545 4.831 1.00 0.00 O ATOM 0 H SER A 88 -6.783 -6.068 1.988 1.00 0.00 H new ATOM 0 HA SER A 88 -5.258 -6.125 4.495 1.00 0.00 H new ATOM 0 HB2 SER A 88 -4.280 -4.295 3.056 1.00 0.00 H new ATOM 0 HB3 SER A 88 -5.868 -3.560 2.967 1.00 0.00 H new ATOM 0 HG SER A 88 -4.585 -2.670 4.680 1.00 0.00 H new ATOM 1342 N HIS A 89 -7.334 -4.804 5.600 1.00 0.00 N ATOM 1343 CA HIS A 89 -8.559 -4.729 6.386 1.00 0.00 C ATOM 1344 C HIS A 89 -8.642 -3.429 7.189 1.00 0.00 C ATOM 1345 O HIS A 89 -9.485 -3.309 8.075 1.00 0.00 O ATOM 1346 CB HIS A 89 -8.623 -5.955 7.300 1.00 0.00 C ATOM 1347 CG HIS A 89 -7.341 -6.182 8.059 1.00 0.00 C ATOM 1348 ND1 HIS A 89 -7.028 -5.696 9.306 1.00 0.00 N ATOM 1349 CD2 HIS A 89 -6.266 -6.912 7.627 1.00 0.00 C ATOM 1350 CE1 HIS A 89 -5.780 -6.106 9.603 1.00 0.00 C ATOM 1351 NE2 HIS A 89 -5.275 -6.860 8.613 1.00 0.00 N ATOM 0 H HIS A 89 -6.537 -4.341 6.037 1.00 0.00 H new ATOM 0 HA HIS A 89 -9.417 -4.726 5.714 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -9.443 -5.833 8.008 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -8.847 -6.838 6.702 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -6.195 -7.438 6.686 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -5.256 -5.861 10.515 1.00 0.00 H new ATOM 0 HE2 HIS A 89 -4.357 -7.304 8.586 1.00 0.00 H new ATOM 1359 N ARG A 90 -7.768 -2.464 6.877 1.00 0.00 N ATOM 1360 CA ARG A 90 -7.785 -1.104 7.415 1.00 0.00 C ATOM 1361 C ARG A 90 -7.277 -1.009 8.853 1.00 0.00 C ATOM 1362 O ARG A 90 -6.786 0.044 9.251 1.00 0.00 O ATOM 1363 CB ARG A 90 -9.200 -0.523 7.282 1.00 0.00 C ATOM 1364 CG ARG A 90 -9.188 1.002 7.393 1.00 0.00 C ATOM 1365 CD ARG A 90 -10.598 1.562 7.199 1.00 0.00 C ATOM 1366 NE ARG A 90 -11.510 1.105 8.254 1.00 0.00 N ATOM 1367 CZ ARG A 90 -12.822 1.360 8.266 1.00 0.00 C ATOM 1368 NH1 ARG A 90 -13.388 2.069 7.292 1.00 0.00 N ATOM 1369 NH2 ARG A 90 -13.577 0.902 9.262 1.00 0.00 N ATOM 0 H ARG A 90 -7.004 -2.617 6.219 1.00 0.00 H new ATOM 0 HA ARG A 90 -7.085 -0.511 6.826 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -9.627 -0.816 6.323 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -9.841 -0.941 8.058 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -8.803 1.299 8.369 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -8.517 1.422 6.644 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -10.560 2.651 7.196 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -10.982 1.254 6.227 1.00 0.00 H new ATOM 0 HE ARG A 90 -11.120 0.561 9.023 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -12.819 2.425 6.524 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -14.390 2.256 7.314 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -13.154 0.358 10.014 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -14.578 1.095 9.273 1.00 0.00 H new ATOM 1383 N THR A 91 -7.379 -2.081 9.643 1.00 0.00 N ATOM 1384 CA THR A 91 -6.846 -2.066 11.000 1.00 0.00 C ATOM 1385 C THR A 91 -5.323 -2.039 10.955 1.00 0.00 C ATOM 1386 O THR A 91 -4.691 -1.351 11.753 1.00 0.00 O ATOM 1387 CB THR A 91 -7.331 -3.295 11.772 1.00 0.00 C ATOM 1388 OG1 THR A 91 -8.738 -3.369 11.711 1.00 0.00 O ATOM 1389 CG2 THR A 91 -6.898 -3.218 13.232 1.00 0.00 C ATOM 0 H THR A 91 -7.821 -2.958 9.368 1.00 0.00 H new ATOM 0 HA THR A 91 -7.202 -1.172 11.512 1.00 0.00 H new ATOM 0 HB THR A 91 -6.891 -4.183 11.318 1.00 0.00 H new ATOM 0 HG1 THR A 91 -9.046 -4.158 12.205 1.00 0.00 H new ATOM 0 HG21 THR A 91 -7.253 -4.101 13.764 1.00 0.00 H new ATOM 0 HG22 THR A 91 -5.810 -3.174 13.287 1.00 0.00 H new ATOM 0 HG23 THR A 91 -7.321 -2.324 13.690 1.00 0.00 H new ATOM 1397 N GLU A 92 -4.727 -2.787 10.021 1.00 0.00 N ATOM 1398 CA GLU A 92 -3.288 -2.758 9.812 1.00 0.00 C ATOM 1399 C GLU A 92 -2.885 -1.407 9.249 1.00 0.00 C ATOM 1400 O GLU A 92 -1.824 -0.896 9.590 1.00 0.00 O ATOM 1401 CB GLU A 92 -2.893 -3.867 8.836 1.00 0.00 C ATOM 1402 CG GLU A 92 -1.372 -3.935 8.706 1.00 0.00 C ATOM 1403 CD GLU A 92 -0.928 -5.053 7.766 1.00 0.00 C ATOM 1404 OE1 GLU A 92 -1.382 -6.202 7.965 1.00 0.00 O ATOM 1405 OE2 GLU A 92 -0.131 -4.753 6.848 1.00 0.00 O ATOM 0 H GLU A 92 -5.228 -3.421 9.398 1.00 0.00 H new ATOM 0 HA GLU A 92 -2.777 -2.917 10.762 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -3.279 -4.824 9.186 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -3.341 -3.680 7.860 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -0.997 -2.981 8.337 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -0.931 -4.092 9.690 1.00 0.00 H new ATOM 1412 N MET A 93 -3.728 -0.827 8.391 1.00 0.00 N ATOM 1413 CA MET A 93 -3.427 0.459 7.794 1.00 0.00 C ATOM 1414 C MET A 93 -3.215 1.491 8.895 1.00 0.00 C ATOM 1415 O MET A 93 -2.240 2.234 8.866 1.00 0.00 O ATOM 1416 CB MET A 93 -4.573 0.861 6.866 1.00 0.00 C ATOM 1417 CG MET A 93 -4.215 2.129 6.093 1.00 0.00 C ATOM 1418 SD MET A 93 -5.546 2.748 5.035 1.00 0.00 S ATOM 1419 CE MET A 93 -6.629 3.423 6.319 1.00 0.00 C ATOM 0 H MET A 93 -4.618 -1.232 8.101 1.00 0.00 H new ATOM 0 HA MET A 93 -2.512 0.400 7.205 1.00 0.00 H new ATOM 0 HB2 MET A 93 -4.786 0.051 6.169 1.00 0.00 H new ATOM 0 HB3 MET A 93 -5.479 1.027 7.448 1.00 0.00 H new ATOM 0 HG2 MET A 93 -3.937 2.908 6.803 1.00 0.00 H new ATOM 0 HG3 MET A 93 -3.338 1.931 5.477 1.00 0.00 H new ATOM 0 HE1 MET A 93 -7.622 3.594 5.904 1.00 0.00 H new ATOM 0 HE2 MET A 93 -6.697 2.716 7.146 1.00 0.00 H new ATOM 0 HE3 MET A 93 -6.220 4.366 6.681 1.00 0.00 H new ATOM 1429 N ASP A 94 -4.127 1.540 9.869 1.00 0.00 N ATOM 1430 CA ASP A 94 -4.053 2.503 10.956 1.00 0.00 C ATOM 1431 C ASP A 94 -2.870 2.210 11.876 1.00 0.00 C ATOM 1432 O ASP A 94 -2.307 3.117 12.486 1.00 0.00 O ATOM 1433 CB ASP A 94 -5.347 2.430 11.755 1.00 0.00 C ATOM 1434 CG ASP A 94 -5.496 3.635 12.681 1.00 0.00 C ATOM 1435 OD1 ASP A 94 -5.831 4.721 12.161 1.00 0.00 O ATOM 1436 OD2 ASP A 94 -5.274 3.465 13.901 1.00 0.00 O ATOM 0 H ASP A 94 -4.931 0.914 9.921 1.00 0.00 H new ATOM 0 HA ASP A 94 -3.914 3.499 10.537 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -6.196 2.386 11.073 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -5.362 1.512 12.343 1.00 0.00 H new ATOM 1441 N TRP A 95 -2.500 0.931 11.974 1.00 0.00 N ATOM 1442 CA TRP A 95 -1.444 0.467 12.862 1.00 0.00 C ATOM 1443 C TRP A 95 -0.050 0.886 12.398 1.00 0.00 C ATOM 1444 O TRP A 95 0.880 0.903 13.202 1.00 0.00 O ATOM 1445 CB TRP A 95 -1.524 -1.056 12.960 1.00 0.00 C ATOM 1446 CG TRP A 95 -0.551 -1.683 13.907 1.00 0.00 C ATOM 1447 CD1 TRP A 95 -0.776 -1.978 15.206 1.00 0.00 C ATOM 1448 CD2 TRP A 95 0.821 -2.101 13.642 1.00 0.00 C ATOM 1449 NE1 TRP A 95 0.360 -2.533 15.761 1.00 0.00 N ATOM 1450 CE2 TRP A 95 1.384 -2.618 14.840 1.00 0.00 C ATOM 1451 CE3 TRP A 95 1.646 -2.077 12.505 1.00 0.00 C ATOM 1452 CZ2 TRP A 95 2.706 -3.075 14.907 1.00 0.00 C ATOM 1453 CZ3 TRP A 95 2.976 -2.518 12.562 1.00 0.00 C ATOM 1454 CH2 TRP A 95 3.507 -3.020 13.759 1.00 0.00 C ATOM 0 H TRP A 95 -2.933 0.184 11.431 1.00 0.00 H new ATOM 0 HA TRP A 95 -1.598 0.930 13.837 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -2.533 -1.332 13.265 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -1.364 -1.477 11.967 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -1.704 -1.806 15.731 1.00 0.00 H new ATOM 0 HE1 TRP A 95 0.433 -2.842 16.730 1.00 0.00 H new ATOM 0 HE3 TRP A 95 1.248 -1.712 11.570 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 3.103 -3.465 15.832 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 3.595 -2.471 11.678 1.00 0.00 H new ATOM 0 HH2 TRP A 95 4.530 -3.363 13.796 1.00 0.00 H new ATOM 1465 N VAL A 96 0.113 1.223 11.115 1.00 0.00 N ATOM 1466 CA VAL A 96 1.421 1.581 10.569 1.00 0.00 C ATOM 1467 C VAL A 96 1.406 2.978 9.942 1.00 0.00 C ATOM 1468 O VAL A 96 2.466 3.526 9.658 1.00 0.00 O ATOM 1469 CB VAL A 96 1.894 0.482 9.610 1.00 0.00 C ATOM 1470 CG1 VAL A 96 0.976 0.397 8.406 1.00 0.00 C ATOM 1471 CG2 VAL A 96 3.334 0.709 9.158 1.00 0.00 C ATOM 0 H VAL A 96 -0.647 1.255 10.436 1.00 0.00 H new ATOM 0 HA VAL A 96 2.150 1.641 11.377 1.00 0.00 H new ATOM 0 HB VAL A 96 1.859 -0.463 10.152 1.00 0.00 H new ATOM 0 HG11 VAL A 96 1.327 -0.388 7.736 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -0.037 0.167 8.736 1.00 0.00 H new ATOM 0 HG13 VAL A 96 0.978 1.351 7.879 1.00 0.00 H new ATOM 0 HG21 VAL A 96 3.633 -0.090 8.480 1.00 0.00 H new ATOM 0 HG22 VAL A 96 3.407 1.667 8.644 1.00 0.00 H new ATOM 0 HG23 VAL A 96 3.992 0.712 10.027 1.00 0.00 H new ATOM 1481 N LEU A 97 0.224 3.569 9.720 1.00 0.00 N ATOM 1482 CA LEU A 97 0.118 4.974 9.337 1.00 0.00 C ATOM 1483 C LEU A 97 0.477 5.876 10.523 1.00 0.00 C ATOM 1484 O LEU A 97 0.487 7.100 10.388 1.00 0.00 O ATOM 1485 CB LEU A 97 -1.314 5.282 8.875 1.00 0.00 C ATOM 1486 CG LEU A 97 -1.467 5.482 7.363 1.00 0.00 C ATOM 1487 CD1 LEU A 97 -0.671 6.699 6.891 1.00 0.00 C ATOM 1488 CD2 LEU A 97 -1.029 4.260 6.559 1.00 0.00 C ATOM 0 H LEU A 97 -0.673 3.089 9.801 1.00 0.00 H new ATOM 0 HA LEU A 97 0.813 5.166 8.520 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -1.966 4.467 9.188 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -1.661 6.181 9.384 1.00 0.00 H new ATOM 0 HG LEU A 97 -2.531 5.640 7.186 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -0.795 6.820 5.815 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -1.034 7.591 7.401 1.00 0.00 H new ATOM 0 HD13 LEU A 97 0.385 6.554 7.120 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -1.159 4.459 5.495 1.00 0.00 H new ATOM 0 HD22 LEU A 97 0.021 4.048 6.763 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -1.635 3.400 6.844 1.00 0.00 H new ATOM 1500 N LYS A 98 0.770 5.276 11.684 1.00 0.00 N ATOM 1501 CA LYS A 98 1.092 5.980 12.917 1.00 0.00 C ATOM 1502 C LYS A 98 2.440 5.524 13.474 1.00 0.00 C ATOM 1503 O LYS A 98 2.835 5.936 14.561 1.00 0.00 O ATOM 1504 CB LYS A 98 -0.028 5.724 13.921 1.00 0.00 C ATOM 1505 CG LYS A 98 -1.336 6.322 13.403 1.00 0.00 C ATOM 1506 CD LYS A 98 -2.434 6.045 14.420 1.00 0.00 C ATOM 1507 CE LYS A 98 -3.762 6.603 13.912 1.00 0.00 C ATOM 1508 NZ LYS A 98 -4.884 6.179 14.770 1.00 0.00 N ATOM 0 H LYS A 98 0.788 4.261 11.787 1.00 0.00 H new ATOM 0 HA LYS A 98 1.174 7.049 12.719 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -0.146 4.652 14.082 1.00 0.00 H new ATOM 0 HB3 LYS A 98 0.227 6.165 14.885 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -1.226 7.395 13.248 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -1.595 5.886 12.438 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -2.522 4.972 14.591 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -2.180 6.501 15.377 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -3.714 7.692 13.883 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -3.934 6.264 12.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -5.753 6.667 14.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -5.017 5.151 14.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -4.674 6.419 15.760 1.00 0.00 H new ATOM 1522 N HIS A 99 3.137 4.669 12.719 1.00 0.00 N ATOM 1523 CA HIS A 99 4.422 4.095 13.092 1.00 0.00 C ATOM 1524 C HIS A 99 5.271 3.911 11.832 1.00 0.00 C ATOM 1525 O HIS A 99 6.120 3.024 11.772 1.00 0.00 O ATOM 1526 CB HIS A 99 4.206 2.754 13.797 1.00 0.00 C ATOM 1527 CG HIS A 99 3.399 2.858 15.065 1.00 0.00 C ATOM 1528 ND1 HIS A 99 2.151 2.320 15.283 1.00 0.00 N ATOM 1529 CD2 HIS A 99 3.767 3.503 16.215 1.00 0.00 C ATOM 1530 CE1 HIS A 99 1.780 2.636 16.535 1.00 0.00 C ATOM 1531 NE2 HIS A 99 2.735 3.358 17.149 1.00 0.00 N ATOM 0 H HIS A 99 2.809 4.352 11.807 1.00 0.00 H new ATOM 0 HA HIS A 99 4.942 4.763 13.778 1.00 0.00 H new ATOM 0 HB2 HIS A 99 3.704 2.071 13.112 1.00 0.00 H new ATOM 0 HB3 HIS A 99 5.176 2.316 14.030 1.00 0.00 H new ATOM 0 HD1 HIS A 99 1.605 1.778 14.613 1.00 0.00 H new ATOM 0 HD2 HIS A 99 4.695 4.033 16.374 1.00 0.00 H new ATOM 0 HE1 HIS A 99 0.842 2.349 16.987 1.00 0.00 H new ATOM 1539 N SER A 100 5.033 4.755 10.823 1.00 0.00 N ATOM 1540 CA SER A 100 5.664 4.663 9.511 1.00 0.00 C ATOM 1541 C SER A 100 7.184 4.804 9.548 1.00 0.00 C ATOM 1542 O SER A 100 7.848 4.627 8.528 1.00 0.00 O ATOM 1543 CB SER A 100 5.094 5.747 8.600 1.00 0.00 C ATOM 1544 OG SER A 100 3.683 5.733 8.625 1.00 0.00 O ATOM 0 H SER A 100 4.382 5.536 10.902 1.00 0.00 H new ATOM 0 HA SER A 100 5.445 3.664 9.134 1.00 0.00 H new ATOM 0 HB2 SER A 100 5.458 6.724 8.918 1.00 0.00 H new ATOM 0 HB3 SER A 100 5.446 5.593 7.580 1.00 0.00 H new ATOM 0 HG SER A 100 3.370 4.871 8.971 1.00 0.00 H new ATOM 1550 N GLY A 101 7.730 5.122 10.718 1.00 0.00 N ATOM 1551 CA GLY A 101 9.160 5.283 10.912 1.00 0.00 C ATOM 1552 C GLY A 101 9.520 5.521 12.380 1.00 0.00 C ATOM 1553 O GLY A 101 10.372 4.807 12.907 1.00 0.00 O ATOM 0 H GLY A 101 7.183 5.276 11.565 1.00 0.00 H new ATOM 0 HA2 GLY A 101 9.676 4.393 10.553 1.00 0.00 H new ATOM 0 HA3 GLY A 101 9.514 6.121 10.312 1.00 0.00 H new ATOM 1557 N PRO A 102 8.897 6.501 13.055 1.00 0.00 N ATOM 1558 CA PRO A 102 9.124 6.749 14.470 1.00 0.00 C ATOM 1559 C PRO A 102 8.482 5.659 15.328 1.00 0.00 C ATOM 1560 O PRO A 102 9.079 5.334 16.377 1.00 0.00 O ATOM 1561 CB PRO A 102 8.503 8.118 14.746 1.00 0.00 C ATOM 1562 CG PRO A 102 7.374 8.201 13.724 1.00 0.00 C ATOM 1563 CD PRO A 102 7.936 7.452 12.518 1.00 0.00 C ATOM 1564 OXT PRO A 102 7.405 5.161 14.932 1.00 0.00 O ATOM 0 HA PRO A 102 10.185 6.736 14.719 1.00 0.00 H new ATOM 0 HB2 PRO A 102 8.128 8.192 15.767 1.00 0.00 H new ATOM 0 HB3 PRO A 102 9.226 8.922 14.613 1.00 0.00 H new ATOM 0 HG2 PRO A 102 6.460 7.737 14.096 1.00 0.00 H new ATOM 0 HG3 PRO A 102 7.130 9.234 13.478 1.00 0.00 H new ATOM 0 HD2 PRO A 102 7.144 6.941 11.971 1.00 0.00 H new ATOM 0 HD3 PRO A 102 8.414 8.139 11.819 1.00 0.00 H new TER 1572 PRO A 102 ATOM 1573 O5' A B 1 15.402 0.037 3.367 1.00 0.00 O ATOM 1574 C5' A B 1 16.795 0.266 3.307 1.00 0.00 C ATOM 1575 C4' A B 1 17.359 -0.224 1.980 1.00 0.00 C ATOM 1576 O4' A B 1 17.019 0.695 0.957 1.00 0.00 O ATOM 1577 C3' A B 1 18.891 -0.256 2.022 1.00 0.00 C ATOM 1578 O3' A B 1 19.442 -1.465 1.528 1.00 0.00 O ATOM 1579 C2' A B 1 19.199 0.856 1.035 1.00 0.00 C ATOM 1580 O2' A B 1 20.501 0.818 0.479 1.00 0.00 O ATOM 1581 C1' A B 1 18.087 0.649 0.049 1.00 0.00 C ATOM 1582 N9 A B 1 18.125 1.696 -0.978 1.00 0.00 N ATOM 1583 C8 A B 1 18.910 1.696 -2.092 1.00 0.00 C ATOM 1584 N7 A B 1 18.750 2.735 -2.866 1.00 0.00 N ATOM 1585 C5 A B 1 17.768 3.476 -2.203 1.00 0.00 C ATOM 1586 C6 A B 1 17.100 4.681 -2.498 1.00 0.00 C ATOM 1587 N6 A B 1 17.343 5.418 -3.585 1.00 0.00 N ATOM 1588 N1 A B 1 16.162 5.113 -1.645 1.00 0.00 N ATOM 1589 C2 A B 1 15.912 4.397 -0.556 1.00 0.00 C ATOM 1590 N3 A B 1 16.482 3.280 -0.142 1.00 0.00 N ATOM 1591 C4 A B 1 17.403 2.860 -1.036 1.00 0.00 C ATOM 0 H5' A B 1 17.290 -0.248 4.131 1.00 0.00 H new ATOM 0 H5'' A B 1 17.000 1.330 3.425 1.00 0.00 H new ATOM 0 H4' A B 1 16.952 -1.218 1.795 1.00 0.00 H new ATOM 0 H3' A B 1 19.292 -0.158 3.031 1.00 0.00 H new ATOM 0 H2' A B 1 19.226 1.851 1.478 1.00 0.00 H new ATOM 0 HO2' A B 1 20.459 1.064 -0.469 1.00 0.00 H new ATOM 0 HO5' A B 1 15.055 0.356 4.226 1.00 0.00 H new ATOM 0 H1' A B 1 18.081 -0.251 -0.566 1.00 0.00 H new ATOM 0 H8 A B 1 19.607 0.902 -2.316 1.00 0.00 H new ATOM 0 H61 A B 1 16.824 6.282 -3.742 1.00 0.00 H new ATOM 0 H62 A B 1 18.047 5.117 -4.259 1.00 0.00 H new ATOM 0 H2 A B 1 15.131 4.783 0.083 1.00 0.00 H new ATOM 1604 P G B 2 19.178 -2.873 2.256 1.00 0.00 P ATOM 1605 OP1 G B 2 18.992 -2.627 3.704 1.00 0.00 O ATOM 1606 OP2 G B 2 20.204 -3.840 1.799 1.00 0.00 O ATOM 1607 O5' G B 2 17.766 -3.286 1.619 1.00 0.00 O ATOM 1608 C5' G B 2 17.680 -3.717 0.277 1.00 0.00 C ATOM 1609 C4' G B 2 16.247 -3.509 -0.205 1.00 0.00 C ATOM 1610 O4' G B 2 16.143 -2.546 -1.231 1.00 0.00 O ATOM 1611 C3' G B 2 15.633 -4.755 -0.823 1.00 0.00 C ATOM 1612 O3' G B 2 15.235 -5.708 0.144 1.00 0.00 O ATOM 1613 C2' G B 2 14.450 -4.148 -1.578 1.00 0.00 C ATOM 1614 O2' G B 2 13.250 -4.282 -0.848 1.00 0.00 O ATOM 1615 C1' G B 2 14.802 -2.666 -1.659 1.00 0.00 C ATOM 1616 N9 G B 2 14.545 -2.153 -3.014 1.00 0.00 N ATOM 1617 C8 G B 2 15.337 -2.194 -4.132 1.00 0.00 C ATOM 1618 N7 G B 2 14.776 -1.685 -5.195 1.00 0.00 N ATOM 1619 C5 G B 2 13.527 -1.261 -4.742 1.00 0.00 C ATOM 1620 C6 G B 2 12.454 -0.637 -5.442 1.00 0.00 C ATOM 1621 O6 G B 2 12.382 -0.346 -6.634 1.00 0.00 O ATOM 1622 N1 G B 2 11.388 -0.350 -4.603 1.00 0.00 N ATOM 1623 C2 G B 2 11.337 -0.646 -3.264 1.00 0.00 C ATOM 1624 N2 G B 2 10.225 -0.297 -2.618 1.00 0.00 N ATOM 1625 N3 G B 2 12.326 -1.249 -2.602 1.00 0.00 N ATOM 1626 C4 G B 2 13.391 -1.520 -3.402 1.00 0.00 C ATOM 0 H5' G B 2 17.958 -4.768 0.198 1.00 0.00 H new ATOM 0 H5'' G B 2 18.375 -3.155 -0.347 1.00 0.00 H new ATOM 0 H4' G B 2 15.733 -3.204 0.706 1.00 0.00 H new ATOM 0 H3' G B 2 16.318 -5.326 -1.450 1.00 0.00 H new ATOM 0 H2' G B 2 14.295 -4.631 -2.543 1.00 0.00 H new ATOM 0 HO2' G B 2 13.424 -4.776 -0.020 1.00 0.00 H new ATOM 0 H1' G B 2 14.179 -2.049 -1.012 1.00 0.00 H new ATOM 0 H8 G B 2 16.334 -2.609 -4.133 1.00 0.00 H new ATOM 0 H1 G B 2 10.579 0.117 -5.013 1.00 0.00 H new ATOM 0 H21 G B 2 10.132 -0.492 -1.621 1.00 0.00 H new ATOM 0 H22 G B 2 9.467 0.165 -3.120 1.00 0.00 H new ATOM 1638 P G B 3 15.035 -7.253 -0.260 1.00 0.00 P ATOM 1639 OP1 G B 3 14.716 -8.011 0.972 1.00 0.00 O ATOM 1640 OP2 G B 3 16.199 -7.661 -1.080 1.00 0.00 O ATOM 1641 O5' G B 3 13.733 -7.258 -1.214 1.00 0.00 O ATOM 1642 C5' G B 3 12.428 -7.406 -0.687 1.00 0.00 C ATOM 1643 C4' G B 3 11.428 -7.589 -1.828 1.00 0.00 C ATOM 1644 O4' G B 3 11.212 -6.386 -2.549 1.00 0.00 O ATOM 1645 C3' G B 3 11.888 -8.654 -2.830 1.00 0.00 C ATOM 1646 O3' G B 3 10.954 -9.716 -2.873 1.00 0.00 O ATOM 1647 C2' G B 3 11.883 -7.896 -4.153 1.00 0.00 C ATOM 1648 O2' G B 3 11.501 -8.711 -5.242 1.00 0.00 O ATOM 1649 C1' G B 3 10.891 -6.777 -3.868 1.00 0.00 C ATOM 1650 N9 G B 3 11.009 -5.669 -4.837 1.00 0.00 N ATOM 1651 C8 G B 3 12.136 -5.161 -5.426 1.00 0.00 C ATOM 1652 N7 G B 3 11.907 -4.199 -6.278 1.00 0.00 N ATOM 1653 C5 G B 3 10.521 -4.056 -6.255 1.00 0.00 C ATOM 1654 C6 G B 3 9.667 -3.187 -7.002 1.00 0.00 C ATOM 1655 O6 G B 3 9.977 -2.331 -7.827 1.00 0.00 O ATOM 1656 N1 G B 3 8.327 -3.397 -6.704 1.00 0.00 N ATOM 1657 C2 G B 3 7.874 -4.257 -5.737 1.00 0.00 C ATOM 1658 N2 G B 3 6.566 -4.255 -5.498 1.00 0.00 N ATOM 1659 N3 G B 3 8.659 -5.077 -5.035 1.00 0.00 N ATOM 1660 C4 G B 3 9.969 -4.931 -5.350 1.00 0.00 C ATOM 0 H5' G B 3 12.163 -6.530 -0.096 1.00 0.00 H new ATOM 0 H5'' G B 3 12.391 -8.265 -0.017 1.00 0.00 H new ATOM 0 H4' G B 3 10.501 -7.904 -1.348 1.00 0.00 H new ATOM 0 H3' G B 3 12.854 -9.096 -2.585 1.00 0.00 H new ATOM 0 H2' G B 3 12.865 -7.534 -4.457 1.00 0.00 H new ATOM 0 HO2' G B 3 11.074 -9.526 -4.906 1.00 0.00 H new ATOM 0 H1' G B 3 9.853 -7.093 -3.966 1.00 0.00 H new ATOM 0 H8 G B 3 13.129 -5.525 -5.205 1.00 0.00 H new ATOM 0 H1 G B 3 7.633 -2.876 -7.241 1.00 0.00 H new ATOM 0 H21 G B 3 6.176 -4.876 -4.789 1.00 0.00 H new ATOM 0 H22 G B 3 5.952 -3.633 -6.024 1.00 0.00 H new ATOM 1672 P G B 4 11.047 -10.935 -1.824 1.00 0.00 P ATOM 1673 OP1 G B 4 12.478 -11.242 -1.603 1.00 0.00 O ATOM 1674 OP2 G B 4 10.142 -12.008 -2.294 1.00 0.00 O ATOM 1675 O5' G B 4 10.447 -10.343 -0.450 1.00 0.00 O ATOM 1676 C5' G B 4 9.055 -10.178 -0.276 1.00 0.00 C ATOM 1677 C4' G B 4 8.730 -10.061 1.215 1.00 0.00 C ATOM 1678 O4' G B 4 9.001 -8.766 1.724 1.00 0.00 O ATOM 1679 C3' G B 4 7.234 -10.290 1.431 1.00 0.00 C ATOM 1680 O3' G B 4 6.977 -10.880 2.692 1.00 0.00 O ATOM 1681 C2' G B 4 6.655 -8.880 1.360 1.00 0.00 C ATOM 1682 O2' G B 4 5.753 -8.661 2.425 1.00 0.00 O ATOM 1683 C1' G B 4 7.863 -7.952 1.500 1.00 0.00 C ATOM 1684 N9 G B 4 8.067 -7.043 0.350 1.00 0.00 N ATOM 1685 C8 G B 4 7.453 -7.045 -0.872 1.00 0.00 C ATOM 1686 N7 G B 4 7.836 -6.080 -1.661 1.00 0.00 N ATOM 1687 C5 G B 4 8.780 -5.385 -0.915 1.00 0.00 C ATOM 1688 C6 G B 4 9.530 -4.217 -1.241 1.00 0.00 C ATOM 1689 O6 G B 4 9.499 -3.546 -2.273 1.00 0.00 O ATOM 1690 N1 G B 4 10.381 -3.845 -0.215 1.00 0.00 N ATOM 1691 C2 G B 4 10.482 -4.497 0.991 1.00 0.00 C ATOM 1692 N2 G B 4 11.348 -3.999 1.873 1.00 0.00 N ATOM 1693 N3 G B 4 9.769 -5.583 1.314 1.00 0.00 N ATOM 1694 C4 G B 4 8.941 -5.978 0.314 1.00 0.00 C ATOM 0 H5' G B 4 8.522 -11.025 -0.709 1.00 0.00 H new ATOM 0 H5'' G B 4 8.716 -9.286 -0.803 1.00 0.00 H new ATOM 0 H4' G B 4 9.348 -10.800 1.725 1.00 0.00 H new ATOM 0 H3' G B 4 6.800 -10.973 0.701 1.00 0.00 H new ATOM 0 H2' G B 4 6.104 -8.712 0.435 1.00 0.00 H new ATOM 0 HO2' G B 4 4.859 -8.967 2.165 1.00 0.00 H new ATOM 0 H1' G B 4 7.684 -7.281 2.340 1.00 0.00 H new ATOM 0 H8 G B 4 6.716 -7.781 -1.158 1.00 0.00 H new ATOM 0 H1 G B 4 10.975 -3.029 -0.364 1.00 0.00 H new ATOM 0 H21 G B 4 11.462 -4.445 2.783 1.00 0.00 H new ATOM 0 H22 G B 4 11.897 -3.172 1.638 1.00 0.00 H new ATOM 1706 P A B 5 7.184 -12.461 2.913 1.00 0.00 P ATOM 1707 OP1 A B 5 6.756 -12.797 4.290 1.00 0.00 O ATOM 1708 OP2 A B 5 8.541 -12.836 2.455 1.00 0.00 O ATOM 1709 O5' A B 5 6.117 -13.078 1.877 1.00 0.00 O ATOM 1710 C5' A B 5 4.870 -13.580 2.312 1.00 0.00 C ATOM 1711 C4' A B 5 4.007 -14.040 1.128 1.00 0.00 C ATOM 1712 O4' A B 5 3.124 -12.994 0.747 1.00 0.00 O ATOM 1713 C3' A B 5 4.852 -14.388 -0.099 1.00 0.00 C ATOM 1714 O3' A B 5 4.352 -15.503 -0.842 1.00 0.00 O ATOM 1715 C2' A B 5 4.876 -13.048 -0.836 1.00 0.00 C ATOM 1716 O2' A B 5 5.112 -13.208 -2.218 1.00 0.00 O ATOM 1717 C1' A B 5 3.509 -12.455 -0.507 1.00 0.00 C ATOM 1718 N9 A B 5 3.493 -10.974 -0.416 1.00 0.00 N ATOM 1719 C8 A B 5 3.574 -10.202 0.716 1.00 0.00 C ATOM 1720 N7 A B 5 3.428 -8.922 0.501 1.00 0.00 N ATOM 1721 C5 A B 5 3.274 -8.836 -0.878 1.00 0.00 C ATOM 1722 C6 A B 5 3.051 -7.758 -1.757 1.00 0.00 C ATOM 1723 N6 A B 5 2.898 -6.494 -1.355 1.00 0.00 N ATOM 1724 N1 A B 5 2.987 -8.008 -3.070 1.00 0.00 N ATOM 1725 C2 A B 5 3.136 -9.253 -3.497 1.00 0.00 C ATOM 1726 N3 A B 5 3.318 -10.352 -2.776 1.00 0.00 N ATOM 1727 C4 A B 5 3.376 -10.074 -1.452 1.00 0.00 C ATOM 0 H5' A B 5 4.341 -12.809 2.872 1.00 0.00 H new ATOM 0 H5'' A B 5 5.030 -14.415 2.994 1.00 0.00 H new ATOM 0 H4' A B 5 3.466 -14.927 1.456 1.00 0.00 H new ATOM 0 H3' A B 5 5.854 -14.754 0.126 1.00 0.00 H new ATOM 0 H2' A B 5 5.690 -12.391 -0.528 1.00 0.00 H new ATOM 0 HO2' A B 5 5.071 -12.334 -2.660 1.00 0.00 H new ATOM 0 H1' A B 5 2.827 -12.710 -1.318 1.00 0.00 H new ATOM 0 H8 A B 5 3.744 -10.617 1.699 1.00 0.00 H new ATOM 0 H61 A B 5 2.739 -5.756 -2.041 1.00 0.00 H new ATOM 0 H62 A B 5 2.940 -6.266 -0.362 1.00 0.00 H new ATOM 0 H2 A B 5 3.105 -9.391 -4.568 1.00 0.00 H new ATOM 1739 P U B 6 2.803 -15.754 -1.269 1.00 0.00 P ATOM 1740 OP1 U B 6 1.905 -15.302 -0.184 1.00 0.00 O ATOM 1741 OP2 U B 6 2.704 -17.157 -1.734 1.00 0.00 O ATOM 1742 O5' U B 6 2.551 -14.811 -2.548 1.00 0.00 O ATOM 1743 C5' U B 6 3.078 -15.156 -3.813 1.00 0.00 C ATOM 1744 C4' U B 6 2.731 -14.106 -4.871 1.00 0.00 C ATOM 1745 O4' U B 6 1.409 -14.243 -5.367 1.00 0.00 O ATOM 1746 C3' U B 6 2.888 -12.685 -4.330 1.00 0.00 C ATOM 1747 O3' U B 6 4.009 -12.042 -4.905 1.00 0.00 O ATOM 1748 C2' U B 6 1.584 -11.994 -4.709 1.00 0.00 C ATOM 1749 O2' U B 6 1.692 -11.334 -5.954 1.00 0.00 O ATOM 1750 C1' U B 6 0.628 -13.169 -4.874 1.00 0.00 C ATOM 1751 N1 U B 6 -0.090 -13.592 -3.648 1.00 0.00 N ATOM 1752 C2 U B 6 -1.095 -14.537 -3.821 1.00 0.00 C ATOM 1753 O2 U B 6 -1.367 -15.027 -4.917 1.00 0.00 O ATOM 1754 N3 U B 6 -1.795 -14.917 -2.689 1.00 0.00 N ATOM 1755 C4 U B 6 -1.581 -14.440 -1.410 1.00 0.00 C ATOM 1756 O4 U B 6 -2.270 -14.831 -0.471 1.00 0.00 O ATOM 1757 C5 U B 6 -0.509 -13.478 -1.318 1.00 0.00 C ATOM 1758 C6 U B 6 0.195 -13.090 -2.405 1.00 0.00 C ATOM 0 H5' U B 6 2.686 -16.126 -4.119 1.00 0.00 H new ATOM 0 H5'' U B 6 4.161 -15.258 -3.742 1.00 0.00 H new ATOM 0 H4' U B 6 3.436 -14.278 -5.685 1.00 0.00 H new ATOM 0 H3' U B 6 3.065 -12.662 -3.255 1.00 0.00 H new ATOM 0 H2' U B 6 1.283 -11.245 -3.977 1.00 0.00 H new ATOM 0 HO2' U B 6 1.663 -11.994 -6.678 1.00 0.00 H new ATOM 0 HO3' U B 6 4.120 -11.155 -4.502 1.00 0.00 H new ATOM 0 H1' U B 6 -0.169 -12.856 -5.548 1.00 0.00 H new ATOM 0 H3 U B 6 -2.534 -15.610 -2.810 1.00 0.00 H new ATOM 0 H5 U B 6 -0.263 -13.057 -0.355 1.00 0.00 H new ATOM 0 H6 U B 6 0.995 -12.373 -2.292 1.00 0.00 H new TER 1770 U B 6