USER MOD reduce.3.24.130724 H: found=0, std=0, add=729, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 729 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 81 SER OG : rot -43:sc= 0.182! USER MOD Set 1.2: A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -123:sc= 0.0875 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 MET CE :methyl 147:sc= -0.107 (180deg=-0.612) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 7 MET CE :methyl 164:sc= -0.103 (180deg=-0.534) USER MOD Single : A 15 HIS : no HD1:sc= -1.69 X(o=-1.7,f=-2.2!) USER MOD Single : A 19 LYS NZ :NH3+ -107:sc= 1.07 (180deg=-0.00104) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= -0.524! K(o=-0.52!,f=-1.1) USER MOD Single : A 35 GLN : amide:sc= -3.62! C(o=-3.6!,f=-5.2!) USER MOD Single : A 36 MET CE :methyl 178:sc= -1.5 (180deg=-1.56) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN :FLIP amide:sc= -1.57 F(o=-2.3!,f=-1.6) USER MOD Single : A 42 THR OG1 : rot -86:sc= 1.23 USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 CYS SG : rot 180:sc= 0 USER MOD Single : A 59 HIS :FLIP no HD1:sc= -0.017 F(o=-0.69,f=-0.017) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN :FLIP amide:sc= -0.303 F(o=-3.2!,f=-0.3) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 140:sc= 0.26 (180deg=-1.98!) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= -0.547 K(o=-0.55,f=-1.1) USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 HIS : +bothHN:sc= 0.277 K(o=0.28,f=-3.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 3.735 -7.520 -19.754 1.00 0.00 N ATOM 2 CA GLY A 1 3.201 -6.207 -19.322 1.00 0.00 C ATOM 3 C GLY A 1 2.975 -6.152 -17.827 1.00 0.00 C ATOM 4 O GLY A 1 3.429 -7.032 -17.091 1.00 0.00 O ATOM 0 H1 GLY A 1 4.635 -7.381 -20.256 1.00 0.00 H new ATOM 0 H2 GLY A 1 3.892 -8.122 -18.921 1.00 0.00 H new ATOM 0 H3 GLY A 1 3.052 -7.980 -20.390 1.00 0.00 H new ATOM 0 HA2 GLY A 1 3.896 -5.419 -19.613 1.00 0.00 H new ATOM 0 HA3 GLY A 1 2.262 -6.010 -19.838 1.00 0.00 H new ATOM 10 N SER A 2 2.261 -5.132 -17.374 1.00 0.00 N ATOM 11 CA SER A 2 2.020 -4.937 -15.954 1.00 0.00 C ATOM 12 C SER A 2 0.631 -5.431 -15.555 1.00 0.00 C ATOM 13 O SER A 2 -0.037 -4.826 -14.719 1.00 0.00 O ATOM 14 CB SER A 2 2.175 -3.458 -15.603 1.00 0.00 C ATOM 15 OG SER A 2 3.431 -2.965 -16.035 1.00 0.00 O ATOM 0 H SER A 2 1.837 -4.424 -17.974 1.00 0.00 H new ATOM 0 HA SER A 2 2.754 -5.520 -15.398 1.00 0.00 H new ATOM 0 HB2 SER A 2 1.374 -2.884 -16.069 1.00 0.00 H new ATOM 0 HB3 SER A 2 2.078 -3.324 -14.526 1.00 0.00 H new ATOM 0 HG SER A 2 3.508 -2.016 -15.802 1.00 0.00 H new ATOM 21 N ALA A 3 0.195 -6.533 -16.159 1.00 0.00 N ATOM 22 CA ALA A 3 -1.090 -7.128 -15.817 1.00 0.00 C ATOM 23 C ALA A 3 -0.983 -7.903 -14.511 1.00 0.00 C ATOM 24 O ALA A 3 -0.922 -9.136 -14.512 1.00 0.00 O ATOM 25 CB ALA A 3 -1.579 -8.037 -16.937 1.00 0.00 C ATOM 0 H ALA A 3 0.712 -7.029 -16.885 1.00 0.00 H new ATOM 0 HA ALA A 3 -1.816 -6.326 -15.688 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -2.540 -8.471 -16.660 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -1.693 -7.457 -17.853 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -0.855 -8.835 -17.101 1.00 0.00 H new ATOM 31 N MET A 4 -0.946 -7.163 -13.403 1.00 0.00 N ATOM 32 CA MET A 4 -0.804 -7.738 -12.067 1.00 0.00 C ATOM 33 C MET A 4 0.523 -8.482 -11.946 1.00 0.00 C ATOM 34 O MET A 4 1.568 -7.882 -11.691 1.00 0.00 O ATOM 35 CB MET A 4 -1.969 -8.684 -11.737 1.00 0.00 C ATOM 36 CG MET A 4 -3.325 -8.004 -11.656 1.00 0.00 C ATOM 37 SD MET A 4 -4.682 -9.184 -11.514 1.00 0.00 S ATOM 38 CE MET A 4 -4.191 -10.097 -10.051 1.00 0.00 C ATOM 0 H MET A 4 -1.014 -6.145 -13.408 1.00 0.00 H new ATOM 0 HA MET A 4 -0.820 -6.917 -11.350 1.00 0.00 H new ATOM 0 HB2 MET A 4 -2.013 -9.466 -12.496 1.00 0.00 H new ATOM 0 HB3 MET A 4 -1.765 -9.175 -10.785 1.00 0.00 H new ATOM 0 HG2 MET A 4 -3.340 -7.332 -10.798 1.00 0.00 H new ATOM 0 HG3 MET A 4 -3.473 -7.390 -12.544 1.00 0.00 H new ATOM 0 HE1 MET A 4 -5.079 -10.409 -9.502 1.00 0.00 H new ATOM 0 HE2 MET A 4 -3.619 -10.977 -10.346 1.00 0.00 H new ATOM 0 HE3 MET A 4 -3.575 -9.461 -9.415 1.00 0.00 H new ATOM 48 N GLY A 5 0.470 -9.786 -12.155 1.00 0.00 N ATOM 49 CA GLY A 5 1.663 -10.594 -12.160 1.00 0.00 C ATOM 50 C GLY A 5 1.579 -11.653 -13.229 1.00 0.00 C ATOM 51 O GLY A 5 2.239 -12.693 -13.143 1.00 0.00 O ATOM 0 H GLY A 5 -0.393 -10.303 -12.323 1.00 0.00 H new ATOM 0 HA2 GLY A 5 2.535 -9.964 -12.332 1.00 0.00 H new ATOM 0 HA3 GLY A 5 1.796 -11.063 -11.185 1.00 0.00 H new ATOM 55 N HIS A 6 0.737 -11.375 -14.228 1.00 0.00 N ATOM 56 CA HIS A 6 0.455 -12.290 -15.336 1.00 0.00 C ATOM 57 C HIS A 6 -0.349 -13.493 -14.846 1.00 0.00 C ATOM 58 O HIS A 6 -1.468 -13.724 -15.301 1.00 0.00 O ATOM 59 CB HIS A 6 1.742 -12.743 -16.032 1.00 0.00 C ATOM 60 CG HIS A 6 1.520 -13.334 -17.391 1.00 0.00 C ATOM 61 ND1 HIS A 6 1.796 -14.649 -17.701 1.00 0.00 N ATOM 62 CD2 HIS A 6 1.065 -12.770 -18.534 1.00 0.00 C ATOM 63 CE1 HIS A 6 1.521 -14.866 -18.972 1.00 0.00 C ATOM 64 NE2 HIS A 6 1.076 -13.743 -19.499 1.00 0.00 N ATOM 0 H HIS A 6 0.225 -10.495 -14.290 1.00 0.00 H new ATOM 0 HA HIS A 6 -0.142 -11.750 -16.070 1.00 0.00 H new ATOM 0 HB2 HIS A 6 2.414 -11.890 -16.123 1.00 0.00 H new ATOM 0 HB3 HIS A 6 2.244 -13.479 -15.404 1.00 0.00 H new ATOM 0 HD2 HIS A 6 0.752 -11.744 -18.662 1.00 0.00 H new ATOM 0 HE1 HIS A 6 1.640 -15.805 -19.493 1.00 0.00 H new ATOM 0 HE2 HIS A 6 0.786 -13.618 -20.469 1.00 0.00 H new ATOM 73 N MET A 7 0.219 -14.241 -13.912 1.00 0.00 N ATOM 74 CA MET A 7 -0.459 -15.386 -13.317 1.00 0.00 C ATOM 75 C MET A 7 0.244 -15.854 -12.035 1.00 0.00 C ATOM 76 O MET A 7 -0.395 -15.928 -10.988 1.00 0.00 O ATOM 77 CB MET A 7 -0.587 -16.543 -14.317 1.00 0.00 C ATOM 78 CG MET A 7 -1.312 -17.754 -13.751 1.00 0.00 C ATOM 79 SD MET A 7 -2.937 -17.345 -13.083 1.00 0.00 S ATOM 80 CE MET A 7 -3.722 -16.621 -14.521 1.00 0.00 C ATOM 0 H MET A 7 1.156 -14.074 -13.546 1.00 0.00 H new ATOM 0 HA MET A 7 -1.463 -15.059 -13.048 1.00 0.00 H new ATOM 0 HB2 MET A 7 -1.118 -16.192 -15.202 1.00 0.00 H new ATOM 0 HB3 MET A 7 0.409 -16.844 -14.642 1.00 0.00 H new ATOM 0 HG2 MET A 7 -1.424 -18.504 -14.534 1.00 0.00 H new ATOM 0 HG3 MET A 7 -0.703 -18.202 -12.966 1.00 0.00 H new ATOM 0 HE1 MET A 7 -4.800 -16.578 -14.364 1.00 0.00 H new ATOM 0 HE2 MET A 7 -3.338 -15.613 -14.677 1.00 0.00 H new ATOM 0 HE3 MET A 7 -3.507 -17.231 -15.399 1.00 0.00 H new ATOM 90 N PRO A 8 1.562 -16.169 -12.077 1.00 0.00 N ATOM 91 CA PRO A 8 2.278 -16.677 -10.896 1.00 0.00 C ATOM 92 C PRO A 8 2.506 -15.612 -9.821 1.00 0.00 C ATOM 93 O PRO A 8 2.584 -15.925 -8.632 1.00 0.00 O ATOM 94 CB PRO A 8 3.618 -17.145 -11.466 1.00 0.00 C ATOM 95 CG PRO A 8 3.823 -16.310 -12.680 1.00 0.00 C ATOM 96 CD PRO A 8 2.455 -16.087 -13.258 1.00 0.00 C ATOM 0 HA PRO A 8 1.706 -17.458 -10.394 1.00 0.00 H new ATOM 0 HB2 PRO A 8 4.425 -17.004 -10.747 1.00 0.00 H new ATOM 0 HB3 PRO A 8 3.594 -18.206 -11.714 1.00 0.00 H new ATOM 0 HG2 PRO A 8 4.300 -15.363 -12.427 1.00 0.00 H new ATOM 0 HG3 PRO A 8 4.473 -16.813 -13.396 1.00 0.00 H new ATOM 0 HD2 PRO A 8 2.381 -15.118 -13.751 1.00 0.00 H new ATOM 0 HD3 PRO A 8 2.206 -16.843 -14.003 1.00 0.00 H new ATOM 104 N ALA A 9 2.616 -14.358 -10.238 1.00 0.00 N ATOM 105 CA ALA A 9 2.883 -13.273 -9.307 1.00 0.00 C ATOM 106 C ALA A 9 1.589 -12.586 -8.890 1.00 0.00 C ATOM 107 O ALA A 9 0.649 -12.473 -9.680 1.00 0.00 O ATOM 108 CB ALA A 9 3.856 -12.276 -9.920 1.00 0.00 C ATOM 0 H ALA A 9 2.525 -14.069 -11.212 1.00 0.00 H new ATOM 0 HA ALA A 9 3.342 -13.692 -8.411 1.00 0.00 H new ATOM 0 HB1 ALA A 9 4.046 -11.470 -9.211 1.00 0.00 H new ATOM 0 HB2 ALA A 9 4.793 -12.780 -10.156 1.00 0.00 H new ATOM 0 HB3 ALA A 9 3.427 -11.863 -10.833 1.00 0.00 H new ATOM 114 N VAL A 10 1.544 -12.133 -7.644 1.00 0.00 N ATOM 115 CA VAL A 10 0.365 -11.478 -7.099 1.00 0.00 C ATOM 116 C VAL A 10 0.618 -9.981 -6.955 1.00 0.00 C ATOM 117 O VAL A 10 1.672 -9.566 -6.474 1.00 0.00 O ATOM 118 CB VAL A 10 -0.020 -12.067 -5.724 1.00 0.00 C ATOM 119 CG1 VAL A 10 -1.322 -11.464 -5.217 1.00 0.00 C ATOM 120 CG2 VAL A 10 -0.125 -13.583 -5.799 1.00 0.00 C ATOM 0 H VAL A 10 2.320 -12.209 -6.987 1.00 0.00 H new ATOM 0 HA VAL A 10 -0.460 -11.648 -7.791 1.00 0.00 H new ATOM 0 HB VAL A 10 0.768 -11.812 -5.016 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -1.570 -11.896 -4.247 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -1.208 -10.385 -5.115 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -2.122 -11.679 -5.925 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -0.397 -13.978 -4.820 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -0.888 -13.859 -6.527 1.00 0.00 H new ATOM 0 HG23 VAL A 10 0.835 -14.000 -6.104 1.00 0.00 H new ATOM 130 N ASP A 11 -0.343 -9.178 -7.374 1.00 0.00 N ATOM 131 CA ASP A 11 -0.191 -7.731 -7.344 1.00 0.00 C ATOM 132 C ASP A 11 -1.461 -7.075 -6.815 1.00 0.00 C ATOM 133 O ASP A 11 -2.570 -7.449 -7.205 1.00 0.00 O ATOM 134 CB ASP A 11 0.124 -7.219 -8.748 1.00 0.00 C ATOM 135 CG ASP A 11 0.588 -5.779 -8.767 1.00 0.00 C ATOM 136 OD1 ASP A 11 -0.266 -4.873 -8.824 1.00 0.00 O ATOM 137 OD2 ASP A 11 1.815 -5.553 -8.751 1.00 0.00 O ATOM 0 H ASP A 11 -1.238 -9.502 -7.740 1.00 0.00 H new ATOM 0 HA ASP A 11 0.632 -7.474 -6.677 1.00 0.00 H new ATOM 0 HB2 ASP A 11 0.895 -7.848 -9.193 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -0.765 -7.316 -9.371 1.00 0.00 H new ATOM 142 N VAL A 12 -1.298 -6.113 -5.916 1.00 0.00 N ATOM 143 CA VAL A 12 -2.431 -5.413 -5.313 1.00 0.00 C ATOM 144 C VAL A 12 -2.247 -3.902 -5.440 1.00 0.00 C ATOM 145 O VAL A 12 -1.143 -3.391 -5.257 1.00 0.00 O ATOM 146 CB VAL A 12 -2.597 -5.784 -3.818 1.00 0.00 C ATOM 147 CG1 VAL A 12 -3.809 -5.087 -3.214 1.00 0.00 C ATOM 148 CG2 VAL A 12 -2.708 -7.292 -3.642 1.00 0.00 C ATOM 0 H VAL A 12 -0.387 -5.796 -5.585 1.00 0.00 H new ATOM 0 HA VAL A 12 -3.329 -5.722 -5.848 1.00 0.00 H new ATOM 0 HB VAL A 12 -1.708 -5.441 -3.289 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -3.903 -5.365 -2.164 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -3.685 -4.007 -3.294 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -4.708 -5.390 -3.751 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -2.824 -7.527 -2.584 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -3.574 -7.660 -4.192 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -1.806 -7.770 -4.023 1.00 0.00 H new ATOM 158 N GLU A 13 -3.321 -3.190 -5.759 1.00 0.00 N ATOM 159 CA GLU A 13 -3.259 -1.745 -5.899 1.00 0.00 C ATOM 160 C GLU A 13 -3.937 -1.071 -4.720 1.00 0.00 C ATOM 161 O GLU A 13 -5.120 -1.290 -4.461 1.00 0.00 O ATOM 162 CB GLU A 13 -3.942 -1.281 -7.185 1.00 0.00 C ATOM 163 CG GLU A 13 -3.326 -1.826 -8.457 1.00 0.00 C ATOM 164 CD GLU A 13 -3.992 -1.259 -9.693 1.00 0.00 C ATOM 165 OE1 GLU A 13 -5.074 -1.751 -10.072 1.00 0.00 O ATOM 166 OE2 GLU A 13 -3.445 -0.306 -10.283 1.00 0.00 O ATOM 0 H GLU A 13 -4.244 -3.592 -5.925 1.00 0.00 H new ATOM 0 HA GLU A 13 -2.206 -1.467 -5.935 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -4.991 -1.574 -7.150 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -3.917 -0.192 -7.222 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -2.262 -1.589 -8.476 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -3.410 -2.913 -8.465 1.00 0.00 H new ATOM 173 N ILE A 14 -3.189 -0.253 -4.008 1.00 0.00 N ATOM 174 CA ILE A 14 -3.759 0.549 -2.949 1.00 0.00 C ATOM 175 C ILE A 14 -3.617 2.015 -3.323 1.00 0.00 C ATOM 176 O ILE A 14 -2.512 2.489 -3.574 1.00 0.00 O ATOM 177 CB ILE A 14 -3.062 0.328 -1.588 1.00 0.00 C ATOM 178 CG1 ILE A 14 -2.453 -1.080 -1.481 1.00 0.00 C ATOM 179 CG2 ILE A 14 -4.067 0.552 -0.470 1.00 0.00 C ATOM 180 CD1 ILE A 14 -1.590 -1.284 -0.244 1.00 0.00 C ATOM 0 H ILE A 14 -2.186 -0.127 -4.144 1.00 0.00 H new ATOM 0 HA ILE A 14 -4.802 0.252 -2.840 1.00 0.00 H new ATOM 0 HB ILE A 14 -2.243 1.042 -1.501 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -3.258 -1.815 -1.476 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -1.851 -1.274 -2.369 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -3.580 0.397 0.493 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -4.450 1.571 -0.524 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -4.893 -0.152 -0.577 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -1.196 -2.300 -0.239 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -0.763 -0.574 -0.256 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -2.192 -1.124 0.650 1.00 0.00 H new ATOM 192 N HIS A 15 -4.718 2.734 -3.381 1.00 0.00 N ATOM 193 CA HIS A 15 -4.660 4.142 -3.730 1.00 0.00 C ATOM 194 C HIS A 15 -4.734 4.999 -2.477 1.00 0.00 C ATOM 195 O HIS A 15 -5.573 4.780 -1.604 1.00 0.00 O ATOM 196 CB HIS A 15 -5.777 4.519 -4.702 1.00 0.00 C ATOM 197 CG HIS A 15 -5.646 3.906 -6.062 1.00 0.00 C ATOM 198 ND1 HIS A 15 -6.183 2.683 -6.394 1.00 0.00 N ATOM 199 CD2 HIS A 15 -5.053 4.370 -7.185 1.00 0.00 C ATOM 200 CE1 HIS A 15 -5.927 2.420 -7.660 1.00 0.00 C ATOM 201 NE2 HIS A 15 -5.243 3.428 -8.167 1.00 0.00 N ATOM 0 H HIS A 15 -5.654 2.375 -3.194 1.00 0.00 H new ATOM 0 HA HIS A 15 -3.708 4.327 -4.228 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -6.733 4.219 -4.272 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -5.801 5.604 -4.806 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -4.527 5.307 -7.291 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -6.227 1.529 -8.193 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -4.910 3.497 -9.129 1.00 0.00 H new ATOM 210 N PHE A 16 -3.831 5.956 -2.392 1.00 0.00 N ATOM 211 CA PHE A 16 -3.738 6.849 -1.253 1.00 0.00 C ATOM 212 C PHE A 16 -3.938 8.291 -1.697 1.00 0.00 C ATOM 213 O PHE A 16 -3.295 8.747 -2.644 1.00 0.00 O ATOM 214 CB PHE A 16 -2.363 6.736 -0.591 1.00 0.00 C ATOM 215 CG PHE A 16 -2.144 5.504 0.247 1.00 0.00 C ATOM 216 CD1 PHE A 16 -2.459 4.241 -0.223 1.00 0.00 C ATOM 217 CD2 PHE A 16 -1.610 5.621 1.517 1.00 0.00 C ATOM 218 CE1 PHE A 16 -2.244 3.123 0.559 1.00 0.00 C ATOM 219 CE2 PHE A 16 -1.392 4.507 2.302 1.00 0.00 C ATOM 220 CZ PHE A 16 -1.711 3.257 1.823 1.00 0.00 C ATOM 0 H PHE A 16 -3.136 6.137 -3.116 1.00 0.00 H new ATOM 0 HA PHE A 16 -4.514 6.565 -0.542 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -1.601 6.764 -1.370 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -2.209 7.613 0.037 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -2.878 4.128 -1.212 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -1.360 6.599 1.901 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -2.494 2.143 0.180 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -0.972 4.616 3.291 1.00 0.00 H new ATOM 0 HZ PHE A 16 -1.544 2.383 2.436 1.00 0.00 H new ATOM 230 N PRO A 17 -4.836 9.028 -1.037 1.00 0.00 N ATOM 231 CA PRO A 17 -4.978 10.462 -1.266 1.00 0.00 C ATOM 232 C PRO A 17 -3.717 11.197 -0.828 1.00 0.00 C ATOM 233 O PRO A 17 -3.415 11.287 0.364 1.00 0.00 O ATOM 234 CB PRO A 17 -6.169 10.867 -0.389 1.00 0.00 C ATOM 235 CG PRO A 17 -6.851 9.591 -0.034 1.00 0.00 C ATOM 236 CD PRO A 17 -5.788 8.533 -0.033 1.00 0.00 C ATOM 0 HA PRO A 17 -5.131 10.706 -2.317 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -5.837 11.397 0.504 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -6.842 11.536 -0.925 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -7.328 9.664 0.943 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -7.634 9.355 -0.754 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -5.324 8.427 0.947 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -6.189 7.556 -0.303 1.00 0.00 H new ATOM 244 N LEU A 18 -3.001 11.719 -1.826 1.00 0.00 N ATOM 245 CA LEU A 18 -1.689 12.355 -1.659 1.00 0.00 C ATOM 246 C LEU A 18 -1.671 13.325 -0.481 1.00 0.00 C ATOM 247 O LEU A 18 -0.719 13.352 0.297 1.00 0.00 O ATOM 248 CB LEU A 18 -1.323 13.079 -2.973 1.00 0.00 C ATOM 249 CG LEU A 18 0.072 13.736 -3.072 1.00 0.00 C ATOM 250 CD1 LEU A 18 0.127 15.061 -2.326 1.00 0.00 C ATOM 251 CD2 LEU A 18 1.152 12.796 -2.568 1.00 0.00 C ATOM 0 H LEU A 18 -3.322 11.712 -2.794 1.00 0.00 H new ATOM 0 HA LEU A 18 -0.949 11.586 -1.438 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.412 12.360 -3.787 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.070 13.853 -3.148 1.00 0.00 H new ATOM 0 HG LEU A 18 0.257 13.943 -4.126 1.00 0.00 H new ATOM 0 HD11 LEU A 18 1.124 15.490 -2.420 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -0.605 15.748 -2.750 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -0.099 14.895 -1.273 1.00 0.00 H new ATOM 0 HD21 LEU A 18 2.124 13.282 -2.648 1.00 0.00 H new ATOM 0 HD22 LEU A 18 0.957 12.544 -1.526 1.00 0.00 H new ATOM 0 HD23 LEU A 18 1.151 11.886 -3.168 1.00 0.00 H new ATOM 263 N LYS A 19 -2.727 14.107 -0.350 1.00 0.00 N ATOM 264 CA LYS A 19 -2.775 15.157 0.665 1.00 0.00 C ATOM 265 C LYS A 19 -3.078 14.612 2.063 1.00 0.00 C ATOM 266 O LYS A 19 -2.660 15.198 3.059 1.00 0.00 O ATOM 267 CB LYS A 19 -3.795 16.232 0.279 1.00 0.00 C ATOM 268 CG LYS A 19 -5.175 15.691 -0.048 1.00 0.00 C ATOM 269 CD LYS A 19 -6.145 16.796 -0.452 1.00 0.00 C ATOM 270 CE LYS A 19 -5.689 17.528 -1.696 1.00 0.00 C ATOM 271 NZ LYS A 19 -6.622 18.625 -2.071 1.00 0.00 N ATOM 0 H LYS A 19 -3.564 14.040 -0.930 1.00 0.00 H new ATOM 0 HA LYS A 19 -1.781 15.603 0.705 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -3.882 16.946 1.098 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -3.418 16.781 -0.584 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -5.097 14.965 -0.857 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -5.571 15.161 0.819 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -7.131 16.366 -0.626 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -6.247 17.506 0.369 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -4.694 17.940 -1.530 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -5.608 16.822 -2.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -7.163 18.347 -2.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -7.277 18.808 -1.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -6.079 19.488 -2.277 1.00 0.00 H new ATOM 285 N ARG A 20 -3.798 13.501 2.145 1.00 0.00 N ATOM 286 CA ARG A 20 -4.184 12.954 3.449 1.00 0.00 C ATOM 287 C ARG A 20 -3.145 11.980 3.991 1.00 0.00 C ATOM 288 O ARG A 20 -2.914 11.930 5.197 1.00 0.00 O ATOM 289 CB ARG A 20 -5.553 12.272 3.401 1.00 0.00 C ATOM 290 CG ARG A 20 -6.715 13.251 3.362 1.00 0.00 C ATOM 291 CD ARG A 20 -7.267 13.418 1.960 1.00 0.00 C ATOM 292 NE ARG A 20 -8.260 14.488 1.895 1.00 0.00 N ATOM 293 CZ ARG A 20 -9.074 14.688 0.861 1.00 0.00 C ATOM 294 NH1 ARG A 20 -9.013 13.895 -0.200 1.00 0.00 N ATOM 295 NH2 ARG A 20 -9.953 15.682 0.890 1.00 0.00 N ATOM 0 H ARG A 20 -4.125 12.965 1.341 1.00 0.00 H new ATOM 0 HA ARG A 20 -4.245 13.806 4.126 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -5.600 11.629 2.522 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -5.660 11.627 4.273 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -7.507 12.901 4.025 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -6.387 14.219 3.741 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -6.451 13.636 1.271 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -7.719 12.482 1.633 1.00 0.00 H new ATOM 0 HE ARG A 20 -8.334 15.121 2.691 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -8.341 13.128 -0.226 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -9.639 14.052 -0.990 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -10.005 16.293 1.705 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -10.576 15.835 0.097 1.00 0.00 H new ATOM 309 N ILE A 21 -2.510 11.214 3.111 1.00 0.00 N ATOM 310 CA ILE A 21 -1.474 10.281 3.545 1.00 0.00 C ATOM 311 C ILE A 21 -0.266 11.049 4.083 1.00 0.00 C ATOM 312 O ILE A 21 0.476 10.553 4.924 1.00 0.00 O ATOM 313 CB ILE A 21 -1.033 9.325 2.407 1.00 0.00 C ATOM 314 CG1 ILE A 21 0.051 8.359 2.902 1.00 0.00 C ATOM 315 CG2 ILE A 21 -0.538 10.108 1.199 1.00 0.00 C ATOM 316 CD1 ILE A 21 -0.366 7.526 4.100 1.00 0.00 C ATOM 0 H ILE A 21 -2.690 11.218 2.107 1.00 0.00 H new ATOM 0 HA ILE A 21 -1.900 9.668 4.339 1.00 0.00 H new ATOM 0 HB ILE A 21 -1.902 8.742 2.101 1.00 0.00 H new ATOM 0 HG12 ILE A 21 0.328 7.691 2.086 1.00 0.00 H new ATOM 0 HG13 ILE A 21 0.942 8.931 3.162 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -0.235 9.414 0.415 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -1.338 10.748 0.827 1.00 0.00 H new ATOM 0 HG23 ILE A 21 0.314 10.723 1.488 1.00 0.00 H new ATOM 0 HD11 ILE A 21 0.454 6.869 4.389 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -0.614 8.185 4.932 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -1.238 6.925 3.840 1.00 0.00 H new ATOM 328 N ALA A 22 -0.098 12.279 3.613 1.00 0.00 N ATOM 329 CA ALA A 22 0.993 13.128 4.066 1.00 0.00 C ATOM 330 C ALA A 22 0.576 13.944 5.285 1.00 0.00 C ATOM 331 O ALA A 22 1.266 14.883 5.683 1.00 0.00 O ATOM 332 CB ALA A 22 1.446 14.053 2.945 1.00 0.00 C ATOM 0 H ALA A 22 -0.706 12.710 2.917 1.00 0.00 H new ATOM 0 HA ALA A 22 1.826 12.486 4.351 1.00 0.00 H new ATOM 0 HB1 ALA A 22 2.263 14.682 3.300 1.00 0.00 H new ATOM 0 HB2 ALA A 22 1.788 13.458 2.098 1.00 0.00 H new ATOM 0 HB3 ALA A 22 0.612 14.683 2.633 1.00 0.00 H new ATOM 338 N ALA A 23 -0.550 13.581 5.877 1.00 0.00 N ATOM 339 CA ALA A 23 -1.086 14.310 7.015 1.00 0.00 C ATOM 340 C ALA A 23 -1.227 13.400 8.228 1.00 0.00 C ATOM 341 O ALA A 23 -1.030 12.187 8.130 1.00 0.00 O ATOM 342 CB ALA A 23 -2.429 14.923 6.656 1.00 0.00 C ATOM 0 H ALA A 23 -1.113 12.782 5.587 1.00 0.00 H new ATOM 0 HA ALA A 23 -0.389 15.108 7.270 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -2.822 15.467 7.515 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -2.303 15.609 5.819 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -3.126 14.133 6.377 1.00 0.00 H new ATOM 348 N GLU A 24 -1.571 13.986 9.366 1.00 0.00 N ATOM 349 CA GLU A 24 -1.713 13.229 10.601 1.00 0.00 C ATOM 350 C GLU A 24 -3.145 12.725 10.749 1.00 0.00 C ATOM 351 O GLU A 24 -3.391 11.699 11.383 1.00 0.00 O ATOM 352 CB GLU A 24 -1.320 14.086 11.805 1.00 0.00 C ATOM 353 CG GLU A 24 -1.303 13.322 13.119 1.00 0.00 C ATOM 354 CD GLU A 24 -0.867 14.180 14.287 1.00 0.00 C ATOM 355 OE1 GLU A 24 -1.728 14.862 14.881 1.00 0.00 O ATOM 356 OE2 GLU A 24 0.335 14.170 14.620 1.00 0.00 O ATOM 0 H GLU A 24 -1.757 14.985 9.459 1.00 0.00 H new ATOM 0 HA GLU A 24 -1.044 12.370 10.560 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -0.332 14.512 11.630 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -2.016 14.920 11.889 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -2.299 12.925 13.317 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -0.631 12.468 13.030 1.00 0.00 H new ATOM 363 N GLY A 25 -4.085 13.443 10.144 1.00 0.00 N ATOM 364 CA GLY A 25 -5.472 13.015 10.149 1.00 0.00 C ATOM 365 C GLY A 25 -5.774 12.088 8.989 1.00 0.00 C ATOM 366 O GLY A 25 -6.779 12.248 8.294 1.00 0.00 O ATOM 0 H GLY A 25 -3.910 14.317 9.648 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -5.693 12.508 11.088 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -6.123 13.888 10.097 1.00 0.00 H new ATOM 370 N TYR A 26 -4.898 11.112 8.789 1.00 0.00 N ATOM 371 CA TYR A 26 -4.994 10.207 7.653 1.00 0.00 C ATOM 372 C TYR A 26 -6.045 9.124 7.894 1.00 0.00 C ATOM 373 O TYR A 26 -6.737 8.704 6.970 1.00 0.00 O ATOM 374 CB TYR A 26 -3.628 9.567 7.360 1.00 0.00 C ATOM 375 CG TYR A 26 -3.091 8.700 8.480 1.00 0.00 C ATOM 376 CD1 TYR A 26 -2.367 9.250 9.530 1.00 0.00 C ATOM 377 CD2 TYR A 26 -3.316 7.328 8.490 1.00 0.00 C ATOM 378 CE1 TYR A 26 -1.883 8.460 10.554 1.00 0.00 C ATOM 379 CE2 TYR A 26 -2.837 6.532 9.511 1.00 0.00 C ATOM 380 CZ TYR A 26 -2.123 7.103 10.541 1.00 0.00 C ATOM 381 OH TYR A 26 -1.644 6.313 11.560 1.00 0.00 O ATOM 0 H TYR A 26 -4.107 10.927 9.405 1.00 0.00 H new ATOM 0 HA TYR A 26 -5.304 10.791 6.786 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -3.710 8.963 6.456 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -2.907 10.357 7.151 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -2.179 10.313 9.546 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -3.876 6.877 7.684 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -1.319 8.904 11.361 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -3.021 5.468 9.502 1.00 0.00 H new ATOM 0 HH TYR A 26 -1.901 5.381 11.400 1.00 0.00 H new ATOM 391 N ALA A 27 -6.176 8.688 9.144 1.00 0.00 N ATOM 392 CA ALA A 27 -7.118 7.630 9.488 1.00 0.00 C ATOM 393 C ALA A 27 -8.535 8.179 9.544 1.00 0.00 C ATOM 394 O ALA A 27 -9.512 7.431 9.519 1.00 0.00 O ATOM 395 CB ALA A 27 -6.741 6.986 10.813 1.00 0.00 C ATOM 0 H ALA A 27 -5.642 9.051 9.934 1.00 0.00 H new ATOM 0 HA ALA A 27 -7.074 6.865 8.713 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -7.456 6.199 11.052 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -5.742 6.557 10.738 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -6.754 7.739 11.601 1.00 0.00 H new ATOM 401 N GLU A 28 -8.634 9.498 9.612 1.00 0.00 N ATOM 402 CA GLU A 28 -9.920 10.167 9.592 1.00 0.00 C ATOM 403 C GLU A 28 -10.398 10.350 8.158 1.00 0.00 C ATOM 404 O GLU A 28 -11.544 10.731 7.920 1.00 0.00 O ATOM 405 CB GLU A 28 -9.827 11.521 10.295 1.00 0.00 C ATOM 406 CG GLU A 28 -9.497 11.410 11.774 1.00 0.00 C ATOM 407 CD GLU A 28 -10.486 10.536 12.519 1.00 0.00 C ATOM 408 OE1 GLU A 28 -11.683 10.892 12.562 1.00 0.00 O ATOM 409 OE2 GLU A 28 -10.072 9.494 13.066 1.00 0.00 O ATOM 0 H GLU A 28 -7.833 10.126 9.682 1.00 0.00 H new ATOM 0 HA GLU A 28 -10.641 9.547 10.125 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -9.064 12.126 9.804 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -10.774 12.048 10.180 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -8.494 11.000 11.891 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -9.489 12.405 12.218 1.00 0.00 H new ATOM 416 N ASP A 29 -9.517 10.067 7.207 1.00 0.00 N ATOM 417 CA ASP A 29 -9.856 10.193 5.799 1.00 0.00 C ATOM 418 C ASP A 29 -10.537 8.933 5.296 1.00 0.00 C ATOM 419 O ASP A 29 -9.908 7.876 5.154 1.00 0.00 O ATOM 420 CB ASP A 29 -8.621 10.484 4.951 1.00 0.00 C ATOM 421 CG ASP A 29 -8.957 10.527 3.475 1.00 0.00 C ATOM 422 OD1 ASP A 29 -9.760 11.397 3.070 1.00 0.00 O ATOM 423 OD2 ASP A 29 -8.429 9.694 2.720 1.00 0.00 O ATOM 0 H ASP A 29 -8.564 9.749 7.386 1.00 0.00 H new ATOM 0 HA ASP A 29 -10.544 11.034 5.705 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -8.187 11.437 5.254 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -7.866 9.718 5.131 1.00 0.00 H new ATOM 428 N GLU A 30 -11.825 9.066 5.005 1.00 0.00 N ATOM 429 CA GLU A 30 -12.651 7.944 4.591 1.00 0.00 C ATOM 430 C GLU A 30 -12.080 7.285 3.351 1.00 0.00 C ATOM 431 O GLU A 30 -12.158 6.067 3.199 1.00 0.00 O ATOM 432 CB GLU A 30 -14.076 8.421 4.316 1.00 0.00 C ATOM 433 CG GLU A 30 -14.997 7.334 3.793 1.00 0.00 C ATOM 434 CD GLU A 30 -16.385 7.850 3.495 1.00 0.00 C ATOM 435 OE1 GLU A 30 -16.564 8.516 2.454 1.00 0.00 O ATOM 436 OE2 GLU A 30 -17.301 7.597 4.303 1.00 0.00 O ATOM 0 H GLU A 30 -12.324 9.955 5.050 1.00 0.00 H new ATOM 0 HA GLU A 30 -12.665 7.210 5.397 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -14.496 8.829 5.235 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -14.043 9.235 3.592 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -14.570 6.904 2.887 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -15.061 6.531 4.527 1.00 0.00 H new ATOM 443 N LEU A 31 -11.495 8.092 2.476 1.00 0.00 N ATOM 444 CA LEU A 31 -10.916 7.585 1.251 1.00 0.00 C ATOM 445 C LEU A 31 -9.807 6.596 1.547 1.00 0.00 C ATOM 446 O LEU A 31 -9.784 5.487 1.010 1.00 0.00 O ATOM 447 CB LEU A 31 -10.354 8.739 0.422 1.00 0.00 C ATOM 448 CG LEU A 31 -11.227 9.207 -0.735 1.00 0.00 C ATOM 449 CD1 LEU A 31 -10.616 10.430 -1.402 1.00 0.00 C ATOM 450 CD2 LEU A 31 -11.394 8.081 -1.739 1.00 0.00 C ATOM 0 H LEU A 31 -11.412 9.101 2.597 1.00 0.00 H new ATOM 0 HA LEU A 31 -11.701 7.077 0.691 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -10.177 9.586 1.085 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -9.385 8.438 0.023 1.00 0.00 H new ATOM 0 HG LEU A 31 -12.208 9.485 -0.349 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -11.253 10.751 -2.226 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -10.531 11.237 -0.674 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -9.626 10.180 -1.784 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -12.019 8.420 -2.565 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -10.417 7.786 -2.121 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -11.866 7.227 -1.253 1.00 0.00 H new ATOM 462 N LEU A 32 -8.932 6.963 2.460 1.00 0.00 N ATOM 463 CA LEU A 32 -7.776 6.168 2.742 1.00 0.00 C ATOM 464 C LEU A 32 -8.183 4.922 3.499 1.00 0.00 C ATOM 465 O LEU A 32 -7.699 3.818 3.234 1.00 0.00 O ATOM 466 CB LEU A 32 -6.780 6.994 3.543 1.00 0.00 C ATOM 467 CG LEU A 32 -5.490 6.270 3.861 1.00 0.00 C ATOM 468 CD1 LEU A 32 -4.805 5.844 2.574 1.00 0.00 C ATOM 469 CD2 LEU A 32 -4.571 7.142 4.702 1.00 0.00 C ATOM 0 H LEU A 32 -9.009 7.814 3.018 1.00 0.00 H new ATOM 0 HA LEU A 32 -7.302 5.859 1.810 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -6.547 7.902 2.986 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -7.249 7.304 4.477 1.00 0.00 H new ATOM 0 HG LEU A 32 -5.724 5.379 4.444 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -3.877 5.323 2.811 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -5.462 5.178 2.015 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -4.583 6.725 1.971 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -3.651 6.599 4.917 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -4.334 8.055 4.155 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -5.068 7.398 5.638 1.00 0.00 H new ATOM 481 N LEU A 33 -9.111 5.111 4.421 1.00 0.00 N ATOM 482 CA LEU A 33 -9.581 4.034 5.264 1.00 0.00 C ATOM 483 C LEU A 33 -10.324 2.980 4.454 1.00 0.00 C ATOM 484 O LEU A 33 -10.076 1.787 4.614 1.00 0.00 O ATOM 485 CB LEU A 33 -10.492 4.593 6.354 1.00 0.00 C ATOM 486 CG LEU A 33 -10.780 3.638 7.512 1.00 0.00 C ATOM 487 CD1 LEU A 33 -9.490 3.276 8.237 1.00 0.00 C ATOM 488 CD2 LEU A 33 -11.781 4.258 8.475 1.00 0.00 C ATOM 0 H LEU A 33 -9.555 6.011 4.603 1.00 0.00 H new ATOM 0 HA LEU A 33 -8.714 3.556 5.721 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -10.038 5.499 6.755 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -11.439 4.885 5.900 1.00 0.00 H new ATOM 0 HG LEU A 33 -11.214 2.723 7.108 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -9.713 2.595 9.059 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -8.805 2.792 7.541 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -9.028 4.181 8.631 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -11.975 3.565 9.294 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -11.374 5.187 8.874 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -12.712 4.467 7.948 1.00 0.00 H new ATOM 500 N ASN A 34 -11.222 3.413 3.573 1.00 0.00 N ATOM 501 CA ASN A 34 -12.052 2.469 2.830 1.00 0.00 C ATOM 502 C ASN A 34 -11.248 1.748 1.756 1.00 0.00 C ATOM 503 O ASN A 34 -11.540 0.599 1.438 1.00 0.00 O ATOM 504 CB ASN A 34 -13.287 3.145 2.210 1.00 0.00 C ATOM 505 CG ASN A 34 -13.041 3.752 0.837 1.00 0.00 C ATOM 506 OD1 ASN A 34 -13.146 3.074 -0.189 1.00 0.00 O ATOM 507 ND2 ASN A 34 -12.744 5.034 0.805 1.00 0.00 N ATOM 0 H ASN A 34 -11.392 4.395 3.358 1.00 0.00 H new ATOM 0 HA ASN A 34 -12.405 1.732 3.551 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -14.089 2.411 2.132 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -13.636 3.928 2.884 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -12.592 5.500 -0.089 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -12.666 5.561 1.675 1.00 0.00 H new ATOM 514 N GLN A 35 -10.232 2.406 1.198 1.00 0.00 N ATOM 515 CA GLN A 35 -9.417 1.769 0.164 1.00 0.00 C ATOM 516 C GLN A 35 -8.504 0.718 0.782 1.00 0.00 C ATOM 517 O GLN A 35 -8.416 -0.417 0.296 1.00 0.00 O ATOM 518 CB GLN A 35 -8.598 2.810 -0.605 1.00 0.00 C ATOM 519 CG GLN A 35 -9.459 3.744 -1.438 1.00 0.00 C ATOM 520 CD GLN A 35 -8.676 4.875 -2.066 1.00 0.00 C ATOM 521 OE1 GLN A 35 -8.236 4.782 -3.204 1.00 0.00 O ATOM 522 NE2 GLN A 35 -8.484 5.948 -1.318 1.00 0.00 N ATOM 0 H GLN A 35 -9.958 3.359 1.437 1.00 0.00 H new ATOM 0 HA GLN A 35 -10.085 1.277 -0.543 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -8.012 3.398 0.102 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -7.890 2.298 -1.257 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -9.950 3.170 -2.224 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -10.245 4.161 -0.809 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -8.867 5.987 -0.374 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -7.952 6.737 -1.685 1.00 0.00 H new ATOM 531 N MET A 36 -7.874 1.077 1.894 1.00 0.00 N ATOM 532 CA MET A 36 -7.020 0.149 2.620 1.00 0.00 C ATOM 533 C MET A 36 -7.856 -0.862 3.383 1.00 0.00 C ATOM 534 O MET A 36 -7.346 -1.882 3.832 1.00 0.00 O ATOM 535 CB MET A 36 -6.092 0.900 3.576 1.00 0.00 C ATOM 536 CG MET A 36 -4.821 1.404 2.914 1.00 0.00 C ATOM 537 SD MET A 36 -3.390 0.341 3.224 1.00 0.00 S ATOM 538 CE MET A 36 -3.964 -1.263 2.664 1.00 0.00 C ATOM 0 H MET A 36 -7.939 2.005 2.312 1.00 0.00 H new ATOM 0 HA MET A 36 -6.407 -0.385 1.894 1.00 0.00 H new ATOM 0 HB2 MET A 36 -6.630 1.746 4.003 1.00 0.00 H new ATOM 0 HB3 MET A 36 -5.825 0.242 4.403 1.00 0.00 H new ATOM 0 HG2 MET A 36 -4.984 1.480 1.839 1.00 0.00 H new ATOM 0 HG3 MET A 36 -4.604 2.409 3.275 1.00 0.00 H new ATOM 0 HE1 MET A 36 -3.162 -1.994 2.770 1.00 0.00 H new ATOM 0 HE2 MET A 36 -4.819 -1.573 3.264 1.00 0.00 H new ATOM 0 HE3 MET A 36 -4.260 -1.198 1.617 1.00 0.00 H new ATOM 548 N GLY A 37 -9.136 -0.561 3.536 1.00 0.00 N ATOM 549 CA GLY A 37 -10.056 -1.489 4.157 1.00 0.00 C ATOM 550 C GLY A 37 -10.688 -2.418 3.141 1.00 0.00 C ATOM 551 O GLY A 37 -11.183 -3.492 3.491 1.00 0.00 O ATOM 0 H GLY A 37 -9.557 0.319 3.238 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -9.528 -2.077 4.908 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -10.837 -0.934 4.677 1.00 0.00 H new ATOM 555 N LYS A 38 -10.677 -1.998 1.881 1.00 0.00 N ATOM 556 CA LYS A 38 -11.201 -2.813 0.797 1.00 0.00 C ATOM 557 C LYS A 38 -10.208 -3.914 0.462 1.00 0.00 C ATOM 558 O LYS A 38 -10.549 -5.096 0.481 1.00 0.00 O ATOM 559 CB LYS A 38 -11.466 -1.954 -0.440 1.00 0.00 C ATOM 560 CG LYS A 38 -12.187 -2.699 -1.552 1.00 0.00 C ATOM 561 CD LYS A 38 -12.369 -1.828 -2.784 1.00 0.00 C ATOM 562 CE LYS A 38 -13.135 -2.562 -3.873 1.00 0.00 C ATOM 563 NZ LYS A 38 -13.204 -1.774 -5.130 1.00 0.00 N ATOM 0 H LYS A 38 -10.309 -1.094 1.587 1.00 0.00 H new ATOM 0 HA LYS A 38 -12.143 -3.259 1.115 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -12.059 -1.087 -0.150 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -10.517 -1.578 -0.821 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -11.622 -3.592 -1.818 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -13.161 -3.033 -1.195 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -12.903 -0.917 -2.512 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -11.394 -1.524 -3.164 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -12.655 -3.520 -4.071 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -14.145 -2.778 -3.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -13.734 -2.309 -5.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -13.685 -0.870 -4.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -12.241 -1.590 -5.478 1.00 0.00 H new ATOM 577 N VAL A 39 -8.971 -3.525 0.173 1.00 0.00 N ATOM 578 CA VAL A 39 -7.910 -4.499 -0.069 1.00 0.00 C ATOM 579 C VAL A 39 -7.281 -4.917 1.256 1.00 0.00 C ATOM 580 O VAL A 39 -6.084 -4.744 1.488 1.00 0.00 O ATOM 581 CB VAL A 39 -6.824 -3.956 -1.031 1.00 0.00 C ATOM 582 CG1 VAL A 39 -7.371 -3.851 -2.442 1.00 0.00 C ATOM 583 CG2 VAL A 39 -6.298 -2.601 -0.566 1.00 0.00 C ATOM 0 H VAL A 39 -8.678 -2.551 0.101 1.00 0.00 H new ATOM 0 HA VAL A 39 -8.361 -5.366 -0.551 1.00 0.00 H new ATOM 0 HB VAL A 39 -5.992 -4.660 -1.026 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -6.595 -3.468 -3.105 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -7.687 -4.837 -2.784 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -8.224 -3.173 -2.452 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -5.538 -2.247 -1.262 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -7.119 -1.885 -0.531 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -5.861 -2.702 0.428 1.00 0.00 H new ATOM 593 N ASN A 40 -8.105 -5.478 2.128 1.00 0.00 N ATOM 594 CA ASN A 40 -7.684 -5.728 3.495 1.00 0.00 C ATOM 595 C ASN A 40 -8.134 -7.090 4.000 1.00 0.00 C ATOM 596 O ASN A 40 -7.396 -7.769 4.710 1.00 0.00 O ATOM 597 CB ASN A 40 -8.262 -4.660 4.414 1.00 0.00 C ATOM 598 CG ASN A 40 -7.474 -4.529 5.695 1.00 0.00 C ATOM 599 OD1 ASN A 40 -6.160 -4.562 5.575 1.00 0.00 O flip ATOM 600 ND2 ASN A 40 -8.036 -4.362 6.775 1.00 0.00 N flip ATOM 0 H ASN A 40 -9.060 -5.766 1.915 1.00 0.00 H new ATOM 0 HA ASN A 40 -6.594 -5.703 3.502 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -8.272 -3.702 3.895 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -9.298 -4.906 4.649 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -9.055 -4.343 6.822 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -7.484 -4.242 7.624 1.00 0.00 H new ATOM 607 N ASP A 41 -9.347 -7.479 3.639 1.00 0.00 N ATOM 608 CA ASP A 41 -9.970 -8.668 4.216 1.00 0.00 C ATOM 609 C ASP A 41 -9.296 -9.948 3.741 1.00 0.00 C ATOM 610 O ASP A 41 -9.079 -10.868 4.527 1.00 0.00 O ATOM 611 CB ASP A 41 -11.467 -8.707 3.894 1.00 0.00 C ATOM 612 CG ASP A 41 -11.760 -8.618 2.409 1.00 0.00 C ATOM 613 OD1 ASP A 41 -11.865 -7.489 1.889 1.00 0.00 O ATOM 614 OD2 ASP A 41 -11.892 -9.670 1.752 1.00 0.00 O ATOM 0 H ASP A 41 -9.921 -6.992 2.951 1.00 0.00 H new ATOM 0 HA ASP A 41 -9.842 -8.606 5.297 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -11.893 -9.630 4.287 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -11.964 -7.883 4.406 1.00 0.00 H new ATOM 619 N THR A 42 -8.954 -10.008 2.462 1.00 0.00 N ATOM 620 CA THR A 42 -8.317 -11.192 1.903 1.00 0.00 C ATOM 621 C THR A 42 -7.227 -10.820 0.896 1.00 0.00 C ATOM 622 O THR A 42 -7.356 -11.089 -0.299 1.00 0.00 O ATOM 623 CB THR A 42 -9.351 -12.115 1.224 1.00 0.00 C ATOM 624 OG1 THR A 42 -10.262 -11.334 0.435 1.00 0.00 O ATOM 625 CG2 THR A 42 -10.125 -12.928 2.251 1.00 0.00 C ATOM 0 H THR A 42 -9.106 -9.253 1.793 1.00 0.00 H new ATOM 0 HA THR A 42 -7.857 -11.726 2.735 1.00 0.00 H new ATOM 0 HB THR A 42 -8.811 -12.808 0.579 1.00 0.00 H new ATOM 0 HG1 THR A 42 -10.999 -11.021 1.000 1.00 0.00 H new ATOM 0 HG21 THR A 42 -10.845 -13.568 1.741 1.00 0.00 H new ATOM 0 HG22 THR A 42 -9.433 -13.545 2.823 1.00 0.00 H new ATOM 0 HG23 THR A 42 -10.653 -12.254 2.926 1.00 0.00 H new ATOM 633 N PRO A 43 -6.140 -10.182 1.362 1.00 0.00 N ATOM 634 CA PRO A 43 -5.014 -9.828 0.500 1.00 0.00 C ATOM 635 C PRO A 43 -4.269 -11.056 0.003 1.00 0.00 C ATOM 636 O PRO A 43 -4.253 -11.349 -1.194 1.00 0.00 O ATOM 637 CB PRO A 43 -4.113 -8.969 1.395 1.00 0.00 C ATOM 638 CG PRO A 43 -4.506 -9.300 2.797 1.00 0.00 C ATOM 639 CD PRO A 43 -5.935 -9.748 2.757 1.00 0.00 C ATOM 0 HA PRO A 43 -5.341 -9.307 -0.400 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -3.060 -9.191 1.220 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -4.253 -7.908 1.189 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -3.867 -10.085 3.202 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -4.392 -8.431 3.445 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -6.117 -10.563 3.458 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -6.614 -8.939 3.026 1.00 0.00 H new ATOM 647 N GLU A 44 -3.725 -11.775 0.965 1.00 0.00 N ATOM 648 CA GLU A 44 -2.859 -12.932 0.765 1.00 0.00 C ATOM 649 C GLU A 44 -1.954 -13.015 1.977 1.00 0.00 C ATOM 650 O GLU A 44 -1.691 -14.088 2.518 1.00 0.00 O ATOM 651 CB GLU A 44 -1.999 -12.812 -0.504 1.00 0.00 C ATOM 652 CG GLU A 44 -1.167 -14.050 -0.804 1.00 0.00 C ATOM 653 CD GLU A 44 -2.003 -15.311 -0.875 1.00 0.00 C ATOM 654 OE1 GLU A 44 -2.774 -15.467 -1.845 1.00 0.00 O ATOM 655 OE2 GLU A 44 -1.910 -16.147 0.049 1.00 0.00 O ATOM 0 H GLU A 44 -3.878 -11.564 1.951 1.00 0.00 H new ATOM 0 HA GLU A 44 -3.474 -13.824 0.643 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -2.650 -12.609 -1.354 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -1.333 -11.955 -0.400 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -0.644 -13.911 -1.750 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -0.405 -14.167 -0.033 1.00 0.00 H new ATOM 662 N GLU A 45 -1.521 -11.840 2.415 1.00 0.00 N ATOM 663 CA GLU A 45 -0.607 -11.720 3.546 1.00 0.00 C ATOM 664 C GLU A 45 -1.329 -11.921 4.875 1.00 0.00 C ATOM 665 O GLU A 45 -1.373 -13.029 5.407 1.00 0.00 O ATOM 666 CB GLU A 45 0.087 -10.348 3.547 1.00 0.00 C ATOM 667 CG GLU A 45 1.118 -10.157 2.447 1.00 0.00 C ATOM 668 CD GLU A 45 0.539 -10.314 1.061 1.00 0.00 C ATOM 669 OE1 GLU A 45 -0.543 -9.741 0.804 1.00 0.00 O ATOM 670 OE2 GLU A 45 1.159 -11.015 0.240 1.00 0.00 O ATOM 0 H GLU A 45 -1.791 -10.948 2.000 1.00 0.00 H new ATOM 0 HA GLU A 45 0.142 -12.504 3.434 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -0.672 -9.572 3.453 1.00 0.00 H new ATOM 0 HB3 GLU A 45 0.574 -10.203 4.511 1.00 0.00 H new ATOM 0 HG2 GLU A 45 1.560 -9.165 2.540 1.00 0.00 H new ATOM 0 HG3 GLU A 45 1.923 -10.879 2.582 1.00 0.00 H new ATOM 677 N GLU A 46 -1.898 -10.848 5.398 1.00 0.00 N ATOM 678 CA GLU A 46 -2.538 -10.872 6.705 1.00 0.00 C ATOM 679 C GLU A 46 -3.870 -10.141 6.645 1.00 0.00 C ATOM 680 O GLU A 46 -4.929 -10.758 6.548 1.00 0.00 O ATOM 681 CB GLU A 46 -1.625 -10.220 7.749 1.00 0.00 C ATOM 682 CG GLU A 46 -0.314 -10.960 7.957 1.00 0.00 C ATOM 683 CD GLU A 46 0.798 -10.057 8.450 1.00 0.00 C ATOM 684 OE1 GLU A 46 0.817 -9.725 9.652 1.00 0.00 O ATOM 685 OE2 GLU A 46 1.669 -9.692 7.631 1.00 0.00 O ATOM 0 H GLU A 46 -1.930 -9.941 4.933 1.00 0.00 H new ATOM 0 HA GLU A 46 -2.717 -11.908 6.993 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -1.410 -9.196 7.443 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -2.156 -10.164 8.699 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -0.467 -11.766 8.675 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -0.010 -11.423 7.018 1.00 0.00 H new ATOM 692 N GLY A 47 -3.801 -8.818 6.684 1.00 0.00 N ATOM 693 CA GLY A 47 -4.986 -8.005 6.550 1.00 0.00 C ATOM 694 C GLY A 47 -4.854 -6.690 7.277 1.00 0.00 C ATOM 695 O GLY A 47 -4.074 -5.825 6.867 1.00 0.00 O ATOM 0 H GLY A 47 -2.936 -8.292 6.807 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -5.180 -7.818 5.494 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -5.846 -8.550 6.940 1.00 0.00 H new ATOM 699 N MET A 48 -5.596 -6.543 8.364 1.00 0.00 N ATOM 700 CA MET A 48 -5.590 -5.329 9.158 1.00 0.00 C ATOM 701 C MET A 48 -4.167 -4.883 9.547 1.00 0.00 C ATOM 702 O MET A 48 -3.816 -3.717 9.357 1.00 0.00 O ATOM 703 CB MET A 48 -6.491 -5.516 10.386 1.00 0.00 C ATOM 704 CG MET A 48 -6.332 -4.447 11.437 1.00 0.00 C ATOM 705 SD MET A 48 -6.630 -2.795 10.809 1.00 0.00 S ATOM 706 CE MET A 48 -6.015 -1.883 12.206 1.00 0.00 C ATOM 0 H MET A 48 -6.221 -7.267 8.720 1.00 0.00 H new ATOM 0 HA MET A 48 -5.991 -4.520 8.547 1.00 0.00 H new ATOM 0 HB2 MET A 48 -7.531 -5.538 10.060 1.00 0.00 H new ATOM 0 HB3 MET A 48 -6.278 -6.486 10.835 1.00 0.00 H new ATOM 0 HG2 MET A 48 -7.021 -4.647 12.258 1.00 0.00 H new ATOM 0 HG3 MET A 48 -5.324 -4.497 11.848 1.00 0.00 H new ATOM 0 HE1 MET A 48 -6.112 -0.814 12.014 1.00 0.00 H new ATOM 0 HE2 MET A 48 -6.590 -2.146 13.094 1.00 0.00 H new ATOM 0 HE3 MET A 48 -4.965 -2.129 12.368 1.00 0.00 H new ATOM 716 N PRO A 49 -3.315 -5.786 10.062 1.00 0.00 N ATOM 717 CA PRO A 49 -1.934 -5.441 10.411 1.00 0.00 C ATOM 718 C PRO A 49 -1.139 -4.980 9.201 1.00 0.00 C ATOM 719 O PRO A 49 -0.339 -4.047 9.294 1.00 0.00 O ATOM 720 CB PRO A 49 -1.356 -6.750 10.954 1.00 0.00 C ATOM 721 CG PRO A 49 -2.550 -7.528 11.363 1.00 0.00 C ATOM 722 CD PRO A 49 -3.603 -7.194 10.361 1.00 0.00 C ATOM 0 HA PRO A 49 -1.891 -4.617 11.123 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -0.778 -7.276 10.194 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -0.688 -6.572 11.797 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -2.339 -8.597 11.369 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -2.867 -7.260 12.371 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -3.532 -7.821 9.472 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -4.606 -7.327 10.766 1.00 0.00 H new ATOM 730 N LEU A 50 -1.342 -5.649 8.066 1.00 0.00 N ATOM 731 CA LEU A 50 -0.619 -5.293 6.861 1.00 0.00 C ATOM 732 C LEU A 50 -0.929 -3.858 6.442 1.00 0.00 C ATOM 733 O LEU A 50 -0.019 -3.111 6.108 1.00 0.00 O ATOM 734 CB LEU A 50 -0.828 -6.324 5.724 1.00 0.00 C ATOM 735 CG LEU A 50 -1.954 -6.088 4.708 1.00 0.00 C ATOM 736 CD1 LEU A 50 -1.600 -4.988 3.719 1.00 0.00 C ATOM 737 CD2 LEU A 50 -2.221 -7.369 3.955 1.00 0.00 C ATOM 0 H LEU A 50 -1.992 -6.428 7.963 1.00 0.00 H new ATOM 0 HA LEU A 50 0.447 -5.330 7.087 1.00 0.00 H new ATOM 0 HB2 LEU A 50 0.107 -6.397 5.169 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -1.000 -7.296 6.187 1.00 0.00 H new ATOM 0 HG LEU A 50 -2.842 -5.774 5.256 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -2.422 -4.852 3.017 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -1.425 -4.057 4.258 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -0.699 -5.266 3.173 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -3.020 -7.206 3.232 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.316 -7.679 3.432 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -2.519 -8.148 4.657 1.00 0.00 H new ATOM 749 N ARG A 51 -2.201 -3.455 6.488 1.00 0.00 N ATOM 750 CA ARG A 51 -2.549 -2.090 6.108 1.00 0.00 C ATOM 751 C ARG A 51 -1.986 -1.098 7.112 1.00 0.00 C ATOM 752 O ARG A 51 -1.583 -0.005 6.742 1.00 0.00 O ATOM 753 CB ARG A 51 -4.064 -1.883 5.938 1.00 0.00 C ATOM 754 CG ARG A 51 -4.882 -1.896 7.220 1.00 0.00 C ATOM 755 CD ARG A 51 -6.308 -1.423 6.966 1.00 0.00 C ATOM 756 NE ARG A 51 -7.177 -1.630 8.123 1.00 0.00 N ATOM 757 CZ ARG A 51 -8.417 -1.145 8.231 1.00 0.00 C ATOM 758 NH1 ARG A 51 -8.931 -0.376 7.278 1.00 0.00 N ATOM 759 NH2 ARG A 51 -9.145 -1.428 9.305 1.00 0.00 N ATOM 0 H ARG A 51 -2.986 -4.039 6.777 1.00 0.00 H new ATOM 0 HA ARG A 51 -2.097 -1.912 5.132 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -4.227 -0.930 5.435 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -4.446 -2.661 5.278 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -4.898 -2.904 7.634 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -4.409 -1.254 7.963 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -6.296 -0.364 6.708 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -6.717 -1.955 6.107 1.00 0.00 H new ATOM 0 HE ARG A 51 -6.812 -2.182 8.900 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -8.378 -0.149 6.452 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -9.879 -0.012 7.372 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -8.757 -2.014 10.044 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -10.092 -1.059 9.391 1.00 0.00 H new ATOM 773 N ALA A 52 -1.942 -1.489 8.379 1.00 0.00 N ATOM 774 CA ALA A 52 -1.362 -0.641 9.411 1.00 0.00 C ATOM 775 C ALA A 52 0.106 -0.340 9.113 1.00 0.00 C ATOM 776 O ALA A 52 0.523 0.824 9.134 1.00 0.00 O ATOM 777 CB ALA A 52 -1.507 -1.295 10.777 1.00 0.00 C ATOM 0 H ALA A 52 -2.299 -2.383 8.715 1.00 0.00 H new ATOM 0 HA ALA A 52 -1.904 0.305 9.418 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -1.069 -0.649 11.538 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -2.564 -1.449 10.996 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -0.993 -2.256 10.777 1.00 0.00 H new ATOM 783 N TRP A 53 0.883 -1.380 8.804 1.00 0.00 N ATOM 784 CA TRP A 53 2.296 -1.188 8.506 1.00 0.00 C ATOM 785 C TRP A 53 2.464 -0.530 7.149 1.00 0.00 C ATOM 786 O TRP A 53 3.328 0.321 6.966 1.00 0.00 O ATOM 787 CB TRP A 53 3.094 -2.507 8.606 1.00 0.00 C ATOM 788 CG TRP A 53 3.062 -3.439 7.418 1.00 0.00 C ATOM 789 CD1 TRP A 53 2.448 -4.654 7.358 1.00 0.00 C ATOM 790 CD2 TRP A 53 3.726 -3.276 6.152 1.00 0.00 C ATOM 791 NE1 TRP A 53 2.661 -5.234 6.127 1.00 0.00 N ATOM 792 CE2 TRP A 53 3.443 -4.413 5.382 1.00 0.00 C ATOM 793 CE3 TRP A 53 4.520 -2.276 5.593 1.00 0.00 C ATOM 794 CZ2 TRP A 53 3.923 -4.583 4.096 1.00 0.00 C ATOM 795 CZ3 TRP A 53 5.005 -2.443 4.311 1.00 0.00 C ATOM 796 CH2 TRP A 53 4.706 -3.596 3.577 1.00 0.00 C ATOM 0 H TRP A 53 0.561 -2.347 8.755 1.00 0.00 H new ATOM 0 HA TRP A 53 2.710 -0.521 9.262 1.00 0.00 H new ATOM 0 HB2 TRP A 53 4.135 -2.255 8.806 1.00 0.00 H new ATOM 0 HB3 TRP A 53 2.727 -3.056 9.473 1.00 0.00 H new ATOM 0 HD1 TRP A 53 1.877 -5.098 8.160 1.00 0.00 H new ATOM 0 HE1 TRP A 53 2.291 -6.135 5.824 1.00 0.00 H new ATOM 0 HE3 TRP A 53 4.753 -1.383 6.155 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 3.685 -5.467 3.523 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 5.622 -1.675 3.870 1.00 0.00 H new ATOM 0 HH2 TRP A 53 5.104 -3.706 2.579 1.00 0.00 H new ATOM 807 N VAL A 54 1.622 -0.924 6.209 1.00 0.00 N ATOM 808 CA VAL A 54 1.654 -0.386 4.862 1.00 0.00 C ATOM 809 C VAL A 54 1.353 1.105 4.862 1.00 0.00 C ATOM 810 O VAL A 54 2.100 1.883 4.281 1.00 0.00 O ATOM 811 CB VAL A 54 0.656 -1.143 3.967 1.00 0.00 C ATOM 812 CG1 VAL A 54 0.079 -0.254 2.871 1.00 0.00 C ATOM 813 CG2 VAL A 54 1.310 -2.365 3.352 1.00 0.00 C ATOM 0 H VAL A 54 0.897 -1.626 6.359 1.00 0.00 H new ATOM 0 HA VAL A 54 2.658 -0.522 4.461 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.169 -1.459 4.606 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -0.620 -0.831 2.265 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -0.443 0.589 3.324 1.00 0.00 H new ATOM 0 HG13 VAL A 54 0.887 0.116 2.240 1.00 0.00 H new ATOM 0 HG21 VAL A 54 0.588 -2.886 2.723 1.00 0.00 H new ATOM 0 HG22 VAL A 54 2.162 -2.056 2.747 1.00 0.00 H new ATOM 0 HG23 VAL A 54 1.650 -3.033 4.144 1.00 0.00 H new ATOM 823 N ILE A 55 0.271 1.504 5.524 1.00 0.00 N ATOM 824 CA ILE A 55 -0.067 2.912 5.644 1.00 0.00 C ATOM 825 C ILE A 55 1.068 3.685 6.300 1.00 0.00 C ATOM 826 O ILE A 55 1.440 4.756 5.832 1.00 0.00 O ATOM 827 CB ILE A 55 -1.376 3.116 6.437 1.00 0.00 C ATOM 828 CG1 ILE A 55 -2.563 2.613 5.614 1.00 0.00 C ATOM 829 CG2 ILE A 55 -1.564 4.576 6.821 1.00 0.00 C ATOM 830 CD1 ILE A 55 -3.891 2.685 6.335 1.00 0.00 C ATOM 0 H ILE A 55 -0.383 0.871 5.984 1.00 0.00 H new ATOM 0 HA ILE A 55 -0.220 3.297 4.636 1.00 0.00 H new ATOM 0 HB ILE A 55 -1.316 2.540 7.360 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -2.628 3.197 4.696 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -2.376 1.580 5.322 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -2.494 4.689 7.378 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -0.728 4.900 7.441 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -1.605 5.187 5.919 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -4.680 2.310 5.683 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -3.848 2.077 7.239 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -4.104 3.720 6.604 1.00 0.00 H new ATOM 842 N LYS A 56 1.637 3.128 7.364 1.00 0.00 N ATOM 843 CA LYS A 56 2.760 3.768 8.037 1.00 0.00 C ATOM 844 C LYS A 56 3.974 3.854 7.109 1.00 0.00 C ATOM 845 O LYS A 56 4.570 4.921 6.953 1.00 0.00 O ATOM 846 CB LYS A 56 3.123 3.011 9.317 1.00 0.00 C ATOM 847 CG LYS A 56 4.379 3.534 10.002 1.00 0.00 C ATOM 848 CD LYS A 56 4.265 5.013 10.337 1.00 0.00 C ATOM 849 CE LYS A 56 5.558 5.546 10.928 1.00 0.00 C ATOM 850 NZ LYS A 56 5.486 7.005 11.196 1.00 0.00 N ATOM 0 H LYS A 56 1.342 2.243 7.776 1.00 0.00 H new ATOM 0 HA LYS A 56 2.460 4.781 8.305 1.00 0.00 H new ATOM 0 HB2 LYS A 56 2.287 3.072 10.014 1.00 0.00 H new ATOM 0 HB3 LYS A 56 3.262 1.957 9.078 1.00 0.00 H new ATOM 0 HG2 LYS A 56 4.558 2.967 10.916 1.00 0.00 H new ATOM 0 HG3 LYS A 56 5.240 3.373 9.354 1.00 0.00 H new ATOM 0 HD2 LYS A 56 4.016 5.574 9.436 1.00 0.00 H new ATOM 0 HD3 LYS A 56 3.449 5.166 11.044 1.00 0.00 H new ATOM 0 HE2 LYS A 56 5.778 5.017 11.855 1.00 0.00 H new ATOM 0 HE3 LYS A 56 6.381 5.343 10.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 6.388 7.329 11.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 5.302 7.513 10.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 4.717 7.197 11.870 1.00 0.00 H new ATOM 864 N CYS A 57 4.321 2.735 6.488 1.00 0.00 N ATOM 865 CA CYS A 57 5.477 2.670 5.605 1.00 0.00 C ATOM 866 C CYS A 57 5.288 3.567 4.390 1.00 0.00 C ATOM 867 O CYS A 57 6.205 4.284 3.996 1.00 0.00 O ATOM 868 CB CYS A 57 5.730 1.229 5.161 1.00 0.00 C ATOM 869 SG CYS A 57 7.132 1.039 4.035 1.00 0.00 S ATOM 0 H CYS A 57 3.814 1.855 6.581 1.00 0.00 H new ATOM 0 HA CYS A 57 6.345 3.026 6.161 1.00 0.00 H new ATOM 0 HB2 CYS A 57 5.901 0.613 6.044 1.00 0.00 H new ATOM 0 HB3 CYS A 57 4.833 0.847 4.674 1.00 0.00 H new ATOM 0 HG CYS A 57 7.267 -0.214 3.718 1.00 0.00 H new ATOM 875 N ALA A 58 4.099 3.527 3.802 1.00 0.00 N ATOM 876 CA ALA A 58 3.784 4.371 2.661 1.00 0.00 C ATOM 877 C ALA A 58 3.834 5.841 3.070 1.00 0.00 C ATOM 878 O ALA A 58 4.303 6.697 2.322 1.00 0.00 O ATOM 879 CB ALA A 58 2.408 4.030 2.109 1.00 0.00 C ATOM 0 H ALA A 58 3.337 2.917 4.099 1.00 0.00 H new ATOM 0 HA ALA A 58 4.524 4.192 1.881 1.00 0.00 H new ATOM 0 HB1 ALA A 58 2.189 4.672 1.255 1.00 0.00 H new ATOM 0 HB2 ALA A 58 2.391 2.987 1.793 1.00 0.00 H new ATOM 0 HB3 ALA A 58 1.656 4.187 2.883 1.00 0.00 H new ATOM 885 N HIS A 59 3.346 6.105 4.281 1.00 0.00 N ATOM 886 CA HIS A 59 3.322 7.445 4.862 1.00 0.00 C ATOM 887 C HIS A 59 4.734 8.022 4.937 1.00 0.00 C ATOM 888 O HIS A 59 5.020 9.067 4.351 1.00 0.00 O ATOM 889 CB HIS A 59 2.701 7.368 6.268 1.00 0.00 C ATOM 890 CG HIS A 59 2.363 8.688 6.898 1.00 0.00 C ATOM 891 ND1 HIS A 59 2.797 9.937 6.633 1.00 0.00 N flip ATOM 892 CD2 HIS A 59 1.486 8.808 7.954 1.00 0.00 C flip ATOM 893 CE1 HIS A 59 2.182 10.785 7.519 1.00 0.00 C flip ATOM 894 NE2 HIS A 59 1.394 10.078 8.303 1.00 0.00 N flip ATOM 0 H HIS A 59 2.953 5.388 4.891 1.00 0.00 H new ATOM 0 HA HIS A 59 2.723 8.102 4.232 1.00 0.00 H new ATOM 0 HB2 HIS A 59 1.792 6.768 6.213 1.00 0.00 H new ATOM 0 HB3 HIS A 59 3.393 6.839 6.923 1.00 0.00 H new ATOM 0 HD2 HIS A 59 0.957 7.991 8.423 1.00 0.00 H new ATOM 0 HE1 HIS A 59 2.321 11.855 7.566 1.00 0.00 H new ATOM 0 HE2 HIS A 59 0.811 10.449 9.053 1.00 0.00 H new ATOM 903 N GLU A 60 5.613 7.326 5.647 1.00 0.00 N ATOM 904 CA GLU A 60 6.976 7.797 5.852 1.00 0.00 C ATOM 905 C GLU A 60 7.765 7.804 4.544 1.00 0.00 C ATOM 906 O GLU A 60 8.605 8.678 4.327 1.00 0.00 O ATOM 907 CB GLU A 60 7.686 6.949 6.910 1.00 0.00 C ATOM 908 CG GLU A 60 7.685 5.461 6.612 1.00 0.00 C ATOM 909 CD GLU A 60 8.429 4.660 7.657 1.00 0.00 C ATOM 910 OE1 GLU A 60 9.674 4.730 7.681 1.00 0.00 O ATOM 911 OE2 GLU A 60 7.780 3.952 8.452 1.00 0.00 O ATOM 0 H GLU A 60 5.405 6.432 6.091 1.00 0.00 H new ATOM 0 HA GLU A 60 6.923 8.825 6.212 1.00 0.00 H new ATOM 0 HB2 GLU A 60 8.717 7.290 7.002 1.00 0.00 H new ATOM 0 HB3 GLU A 60 7.208 7.116 7.875 1.00 0.00 H new ATOM 0 HG2 GLU A 60 6.656 5.107 6.552 1.00 0.00 H new ATOM 0 HG3 GLU A 60 8.139 5.289 5.636 1.00 0.00 H new ATOM 918 N ALA A 61 7.488 6.835 3.672 1.00 0.00 N ATOM 919 CA ALA A 61 8.149 6.767 2.374 1.00 0.00 C ATOM 920 C ALA A 61 7.803 7.987 1.534 1.00 0.00 C ATOM 921 O ALA A 61 8.666 8.566 0.873 1.00 0.00 O ATOM 922 CB ALA A 61 7.759 5.496 1.632 1.00 0.00 C ATOM 0 H ALA A 61 6.813 6.090 3.842 1.00 0.00 H new ATOM 0 HA ALA A 61 9.225 6.751 2.546 1.00 0.00 H new ATOM 0 HB1 ALA A 61 8.265 5.468 0.667 1.00 0.00 H new ATOM 0 HB2 ALA A 61 8.052 4.627 2.220 1.00 0.00 H new ATOM 0 HB3 ALA A 61 6.680 5.482 1.477 1.00 0.00 H new ATOM 928 N LEU A 62 6.536 8.378 1.577 1.00 0.00 N ATOM 929 CA LEU A 62 6.069 9.530 0.826 1.00 0.00 C ATOM 930 C LEU A 62 6.680 10.815 1.358 1.00 0.00 C ATOM 931 O LEU A 62 7.139 11.642 0.590 1.00 0.00 O ATOM 932 CB LEU A 62 4.549 9.642 0.880 1.00 0.00 C ATOM 933 CG LEU A 62 3.978 10.869 0.167 1.00 0.00 C ATOM 934 CD1 LEU A 62 3.754 10.580 -1.305 1.00 0.00 C ATOM 935 CD2 LEU A 62 2.690 11.315 0.824 1.00 0.00 C ATOM 0 H LEU A 62 5.814 7.911 2.126 1.00 0.00 H new ATOM 0 HA LEU A 62 6.382 9.386 -0.208 1.00 0.00 H new ATOM 0 HB2 LEU A 62 4.115 8.745 0.437 1.00 0.00 H new ATOM 0 HB3 LEU A 62 4.236 9.665 1.924 1.00 0.00 H new ATOM 0 HG LEU A 62 4.704 11.678 0.248 1.00 0.00 H new ATOM 0 HD11 LEU A 62 3.348 11.466 -1.792 1.00 0.00 H new ATOM 0 HD12 LEU A 62 4.702 10.312 -1.772 1.00 0.00 H new ATOM 0 HD13 LEU A 62 3.051 9.754 -1.411 1.00 0.00 H new ATOM 0 HD21 LEU A 62 2.299 12.189 0.303 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.959 10.508 0.777 1.00 0.00 H new ATOM 0 HD23 LEU A 62 2.882 11.570 1.866 1.00 0.00 H new ATOM 947 N GLU A 63 6.682 10.982 2.675 1.00 0.00 N ATOM 948 CA GLU A 63 7.173 12.218 3.279 1.00 0.00 C ATOM 949 C GLU A 63 8.656 12.428 2.990 1.00 0.00 C ATOM 950 O GLU A 63 9.127 13.566 2.942 1.00 0.00 O ATOM 951 CB GLU A 63 6.940 12.213 4.789 1.00 0.00 C ATOM 952 CG GLU A 63 5.478 12.104 5.187 1.00 0.00 C ATOM 953 CD GLU A 63 5.292 12.125 6.687 1.00 0.00 C ATOM 954 OE1 GLU A 63 5.667 11.135 7.351 1.00 0.00 O ATOM 955 OE2 GLU A 63 4.779 13.135 7.211 1.00 0.00 O ATOM 0 H GLU A 63 6.352 10.284 3.342 1.00 0.00 H new ATOM 0 HA GLU A 63 6.614 13.041 2.834 1.00 0.00 H new ATOM 0 HB2 GLU A 63 7.489 11.380 5.228 1.00 0.00 H new ATOM 0 HB3 GLU A 63 7.355 13.127 5.214 1.00 0.00 H new ATOM 0 HG2 GLU A 63 4.920 12.927 4.742 1.00 0.00 H new ATOM 0 HG3 GLU A 63 5.061 11.181 4.784 1.00 0.00 H new ATOM 962 N LYS A 64 9.383 11.336 2.796 1.00 0.00 N ATOM 963 CA LYS A 64 10.801 11.413 2.483 1.00 0.00 C ATOM 964 C LYS A 64 11.002 12.027 1.101 1.00 0.00 C ATOM 965 O LYS A 64 11.905 12.837 0.891 1.00 0.00 O ATOM 966 CB LYS A 64 11.435 10.024 2.529 1.00 0.00 C ATOM 967 CG LYS A 64 12.949 10.043 2.391 1.00 0.00 C ATOM 968 CD LYS A 64 13.511 8.649 2.179 1.00 0.00 C ATOM 969 CE LYS A 64 13.206 7.726 3.348 1.00 0.00 C ATOM 970 NZ LYS A 64 13.670 6.339 3.084 1.00 0.00 N ATOM 0 H LYS A 64 9.013 10.387 2.850 1.00 0.00 H new ATOM 0 HA LYS A 64 11.284 12.045 3.228 1.00 0.00 H new ATOM 0 HB2 LYS A 64 11.170 9.543 3.471 1.00 0.00 H new ATOM 0 HB3 LYS A 64 11.013 9.414 1.730 1.00 0.00 H new ATOM 0 HG2 LYS A 64 13.230 10.680 1.552 1.00 0.00 H new ATOM 0 HG3 LYS A 64 13.391 10.481 3.286 1.00 0.00 H new ATOM 0 HD2 LYS A 64 13.094 8.226 1.265 1.00 0.00 H new ATOM 0 HD3 LYS A 64 14.590 8.711 2.038 1.00 0.00 H new ATOM 0 HE2 LYS A 64 13.688 8.107 4.248 1.00 0.00 H new ATOM 0 HE3 LYS A 64 12.133 7.721 3.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 13.446 5.736 3.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 13.191 5.968 2.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 14.698 6.341 2.927 1.00 0.00 H new ATOM 984 N ASN A 65 10.136 11.653 0.168 1.00 0.00 N ATOM 985 CA ASN A 65 10.204 12.153 -1.200 1.00 0.00 C ATOM 986 C ASN A 65 8.794 12.405 -1.744 1.00 0.00 C ATOM 987 O ASN A 65 8.309 11.692 -2.622 1.00 0.00 O ATOM 988 CB ASN A 65 10.983 11.171 -2.098 1.00 0.00 C ATOM 989 CG ASN A 65 10.507 9.726 -1.989 1.00 0.00 C ATOM 990 OD1 ASN A 65 9.544 9.358 -2.817 1.00 0.00 O flip ATOM 991 ND2 ASN A 65 11.006 8.952 -1.170 1.00 0.00 N flip ATOM 0 H ASN A 65 9.371 10.999 0.336 1.00 0.00 H new ATOM 0 HA ASN A 65 10.741 13.101 -1.201 1.00 0.00 H new ATOM 0 HB2 ASN A 65 10.896 11.495 -3.135 1.00 0.00 H new ATOM 0 HB3 ASN A 65 12.040 11.216 -1.837 1.00 0.00 H new ATOM 0 HD21 ASN A 65 11.747 9.275 -0.549 1.00 0.00 H new ATOM 0 HD22 ASN A 65 10.678 7.988 -1.114 1.00 0.00 H new ATOM 998 N PRO A 66 8.125 13.458 -1.243 1.00 0.00 N ATOM 999 CA PRO A 66 6.702 13.710 -1.520 1.00 0.00 C ATOM 1000 C PRO A 66 6.457 14.293 -2.911 1.00 0.00 C ATOM 1001 O PRO A 66 5.640 15.201 -3.088 1.00 0.00 O ATOM 1002 CB PRO A 66 6.327 14.708 -0.422 1.00 0.00 C ATOM 1003 CG PRO A 66 7.576 15.483 -0.196 1.00 0.00 C ATOM 1004 CD PRO A 66 8.705 14.498 -0.369 1.00 0.00 C ATOM 0 HA PRO A 66 6.107 12.797 -1.515 1.00 0.00 H new ATOM 0 HB2 PRO A 66 5.507 15.355 -0.734 1.00 0.00 H new ATOM 0 HB3 PRO A 66 6.004 14.199 0.486 1.00 0.00 H new ATOM 0 HG2 PRO A 66 7.661 16.305 -0.907 1.00 0.00 H new ATOM 0 HG3 PRO A 66 7.589 15.922 0.802 1.00 0.00 H new ATOM 0 HD2 PRO A 66 9.578 14.964 -0.825 1.00 0.00 H new ATOM 0 HD3 PRO A 66 9.027 14.085 0.587 1.00 0.00 H new ATOM 1012 N LYS A 67 7.160 13.747 -3.891 1.00 0.00 N ATOM 1013 CA LYS A 67 7.060 14.198 -5.272 1.00 0.00 C ATOM 1014 C LYS A 67 6.807 13.009 -6.192 1.00 0.00 C ATOM 1015 O LYS A 67 6.908 13.120 -7.414 1.00 0.00 O ATOM 1016 CB LYS A 67 8.355 14.895 -5.700 1.00 0.00 C ATOM 1017 CG LYS A 67 8.795 16.008 -4.775 1.00 0.00 C ATOM 1018 CD LYS A 67 7.850 17.191 -4.839 1.00 0.00 C ATOM 1019 CE LYS A 67 8.319 18.301 -3.928 1.00 0.00 C ATOM 1020 NZ LYS A 67 7.377 19.447 -3.906 1.00 0.00 N ATOM 0 H LYS A 67 7.816 12.979 -3.752 1.00 0.00 H new ATOM 0 HA LYS A 67 6.231 14.901 -5.345 1.00 0.00 H new ATOM 0 HB2 LYS A 67 9.151 14.153 -5.761 1.00 0.00 H new ATOM 0 HB3 LYS A 67 8.221 15.302 -6.702 1.00 0.00 H new ATOM 0 HG2 LYS A 67 8.843 15.635 -3.752 1.00 0.00 H new ATOM 0 HG3 LYS A 67 9.801 16.330 -5.044 1.00 0.00 H new ATOM 0 HD2 LYS A 67 7.787 17.557 -5.864 1.00 0.00 H new ATOM 0 HD3 LYS A 67 6.847 16.877 -4.551 1.00 0.00 H new ATOM 0 HE2 LYS A 67 8.438 17.912 -2.917 1.00 0.00 H new ATOM 0 HE3 LYS A 67 9.300 18.646 -4.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 7.741 20.183 -3.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 7.282 19.837 -4.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 6.447 19.126 -3.569 1.00 0.00 H new ATOM 1034 N ILE A 68 6.489 11.868 -5.598 1.00 0.00 N ATOM 1035 CA ILE A 68 6.308 10.644 -6.365 1.00 0.00 C ATOM 1036 C ILE A 68 4.880 10.468 -6.836 1.00 0.00 C ATOM 1037 O ILE A 68 3.996 11.272 -6.534 1.00 0.00 O ATOM 1038 CB ILE A 68 6.720 9.388 -5.575 1.00 0.00 C ATOM 1039 CG1 ILE A 68 6.159 9.422 -4.144 1.00 0.00 C ATOM 1040 CG2 ILE A 68 8.229 9.242 -5.586 1.00 0.00 C ATOM 1041 CD1 ILE A 68 6.413 8.149 -3.365 1.00 0.00 C ATOM 0 H ILE A 68 6.352 11.764 -4.593 1.00 0.00 H new ATOM 0 HA ILE A 68 6.962 10.752 -7.230 1.00 0.00 H new ATOM 0 HB ILE A 68 6.291 8.511 -6.060 1.00 0.00 H new ATOM 0 HG12 ILE A 68 6.603 10.261 -3.608 1.00 0.00 H new ATOM 0 HG13 ILE A 68 5.085 9.604 -4.188 1.00 0.00 H new ATOM 0 HG21 ILE A 68 8.512 8.351 -5.025 1.00 0.00 H new ATOM 0 HG22 ILE A 68 8.578 9.150 -6.614 1.00 0.00 H new ATOM 0 HG23 ILE A 68 8.683 10.120 -5.126 1.00 0.00 H new ATOM 0 HD11 ILE A 68 5.990 8.244 -2.365 1.00 0.00 H new ATOM 0 HD12 ILE A 68 5.945 7.309 -3.878 1.00 0.00 H new ATOM 0 HD13 ILE A 68 7.487 7.976 -3.290 1.00 0.00 H new ATOM 1053 N ARG A 69 4.677 9.391 -7.569 1.00 0.00 N ATOM 1054 CA ARG A 69 3.376 9.069 -8.134 1.00 0.00 C ATOM 1055 C ARG A 69 2.806 7.854 -7.433 1.00 0.00 C ATOM 1056 O ARG A 69 1.626 7.815 -7.090 1.00 0.00 O ATOM 1057 CB ARG A 69 3.495 8.810 -9.641 1.00 0.00 C ATOM 1058 CG ARG A 69 2.201 8.347 -10.306 1.00 0.00 C ATOM 1059 CD ARG A 69 1.038 9.272 -9.986 1.00 0.00 C ATOM 1060 NE ARG A 69 1.338 10.664 -10.306 1.00 0.00 N ATOM 1061 CZ ARG A 69 1.136 11.679 -9.468 1.00 0.00 C ATOM 1062 NH1 ARG A 69 0.661 11.452 -8.250 1.00 0.00 N ATOM 1063 NH2 ARG A 69 1.416 12.919 -9.845 1.00 0.00 N ATOM 0 H ARG A 69 5.407 8.714 -7.791 1.00 0.00 H new ATOM 0 HA ARG A 69 2.704 9.915 -7.986 1.00 0.00 H new ATOM 0 HB2 ARG A 69 3.833 9.724 -10.129 1.00 0.00 H new ATOM 0 HB3 ARG A 69 4.265 8.057 -9.808 1.00 0.00 H new ATOM 0 HG2 ARG A 69 2.343 8.303 -11.386 1.00 0.00 H new ATOM 0 HG3 ARG A 69 1.963 7.336 -9.974 1.00 0.00 H new ATOM 0 HD2 ARG A 69 0.158 8.954 -10.545 1.00 0.00 H new ATOM 0 HD3 ARG A 69 0.790 9.189 -8.928 1.00 0.00 H new ATOM 0 HE ARG A 69 1.725 10.872 -11.226 1.00 0.00 H new ATOM 0 HH11 ARG A 69 0.450 10.499 -7.954 1.00 0.00 H new ATOM 0 HH12 ARG A 69 0.507 12.231 -7.609 1.00 0.00 H new ATOM 0 HH21 ARG A 69 1.787 13.097 -10.778 1.00 0.00 H new ATOM 0 HH22 ARG A 69 1.261 13.695 -9.202 1.00 0.00 H new ATOM 1077 N GLU A 70 3.656 6.865 -7.228 1.00 0.00 N ATOM 1078 CA GLU A 70 3.275 5.662 -6.522 1.00 0.00 C ATOM 1079 C GLU A 70 4.519 4.902 -6.089 1.00 0.00 C ATOM 1080 O GLU A 70 5.571 4.997 -6.725 1.00 0.00 O ATOM 1081 CB GLU A 70 2.382 4.785 -7.404 1.00 0.00 C ATOM 1082 CG GLU A 70 3.056 4.297 -8.684 1.00 0.00 C ATOM 1083 CD GLU A 70 2.231 3.270 -9.442 1.00 0.00 C ATOM 1084 OE1 GLU A 70 1.415 3.669 -10.299 1.00 0.00 O ATOM 1085 OE2 GLU A 70 2.419 2.053 -9.210 1.00 0.00 O ATOM 0 H GLU A 70 4.625 6.875 -7.546 1.00 0.00 H new ATOM 0 HA GLU A 70 2.707 5.936 -5.633 1.00 0.00 H new ATOM 0 HB2 GLU A 70 2.055 3.921 -6.826 1.00 0.00 H new ATOM 0 HB3 GLU A 70 1.487 5.348 -7.669 1.00 0.00 H new ATOM 0 HG2 GLU A 70 3.248 5.151 -9.334 1.00 0.00 H new ATOM 0 HG3 GLU A 70 4.024 3.863 -8.434 1.00 0.00 H new ATOM 1092 N VAL A 71 4.402 4.169 -5.002 1.00 0.00 N ATOM 1093 CA VAL A 71 5.505 3.376 -4.502 1.00 0.00 C ATOM 1094 C VAL A 71 5.134 1.900 -4.552 1.00 0.00 C ATOM 1095 O VAL A 71 3.960 1.542 -4.440 1.00 0.00 O ATOM 1096 CB VAL A 71 5.894 3.792 -3.060 1.00 0.00 C ATOM 1097 CG1 VAL A 71 4.762 3.519 -2.080 1.00 0.00 C ATOM 1098 CG2 VAL A 71 7.178 3.102 -2.615 1.00 0.00 C ATOM 0 H VAL A 71 3.550 4.106 -4.445 1.00 0.00 H new ATOM 0 HA VAL A 71 6.373 3.552 -5.137 1.00 0.00 H new ATOM 0 HB VAL A 71 6.076 4.867 -3.067 1.00 0.00 H new ATOM 0 HG11 VAL A 71 5.067 3.822 -1.078 1.00 0.00 H new ATOM 0 HG12 VAL A 71 3.879 4.085 -2.377 1.00 0.00 H new ATOM 0 HG13 VAL A 71 4.528 2.454 -2.082 1.00 0.00 H new ATOM 0 HG21 VAL A 71 7.425 3.413 -1.600 1.00 0.00 H new ATOM 0 HG22 VAL A 71 7.037 2.021 -2.639 1.00 0.00 H new ATOM 0 HG23 VAL A 71 7.991 3.377 -3.287 1.00 0.00 H new ATOM 1108 N TYR A 72 6.124 1.048 -4.729 1.00 0.00 N ATOM 1109 CA TYR A 72 5.882 -0.377 -4.811 1.00 0.00 C ATOM 1110 C TYR A 72 6.427 -1.027 -3.555 1.00 0.00 C ATOM 1111 O TYR A 72 7.641 -1.060 -3.343 1.00 0.00 O ATOM 1112 CB TYR A 72 6.575 -0.968 -6.044 1.00 0.00 C ATOM 1113 CG TYR A 72 6.436 -0.124 -7.293 1.00 0.00 C ATOM 1114 CD1 TYR A 72 5.351 -0.274 -8.145 1.00 0.00 C ATOM 1115 CD2 TYR A 72 7.398 0.826 -7.621 1.00 0.00 C ATOM 1116 CE1 TYR A 72 5.227 0.497 -9.285 1.00 0.00 C ATOM 1117 CE2 TYR A 72 7.281 1.600 -8.758 1.00 0.00 C ATOM 1118 CZ TYR A 72 6.192 1.431 -9.587 1.00 0.00 C ATOM 1119 OH TYR A 72 6.072 2.199 -10.723 1.00 0.00 O ATOM 0 H TYR A 72 7.103 1.318 -4.819 1.00 0.00 H new ATOM 0 HA TYR A 72 4.812 -0.563 -4.900 1.00 0.00 H new ATOM 0 HB2 TYR A 72 7.634 -1.101 -5.824 1.00 0.00 H new ATOM 0 HB3 TYR A 72 6.163 -1.958 -6.240 1.00 0.00 H new ATOM 0 HD1 TYR A 72 4.591 -1.005 -7.913 1.00 0.00 H new ATOM 0 HD2 TYR A 72 8.252 0.960 -6.974 1.00 0.00 H new ATOM 0 HE1 TYR A 72 4.376 0.367 -9.937 1.00 0.00 H new ATOM 0 HE2 TYR A 72 8.037 2.333 -8.997 1.00 0.00 H new ATOM 0 HH TYR A 72 6.836 2.809 -10.788 1.00 0.00 H new ATOM 1129 N LEU A 73 5.542 -1.530 -2.717 1.00 0.00 N ATOM 1130 CA LEU A 73 5.963 -2.077 -1.444 1.00 0.00 C ATOM 1131 C LEU A 73 5.809 -3.594 -1.428 1.00 0.00 C ATOM 1132 O LEU A 73 4.800 -4.143 -1.875 1.00 0.00 O ATOM 1133 CB LEU A 73 5.234 -1.374 -0.274 1.00 0.00 C ATOM 1134 CG LEU A 73 3.739 -1.635 -0.093 1.00 0.00 C ATOM 1135 CD1 LEU A 73 3.520 -2.947 0.605 1.00 0.00 C ATOM 1136 CD2 LEU A 73 3.110 -0.536 0.739 1.00 0.00 C ATOM 0 H LEU A 73 4.538 -1.571 -2.892 1.00 0.00 H new ATOM 0 HA LEU A 73 7.025 -1.877 -1.305 1.00 0.00 H new ATOM 0 HB2 LEU A 73 5.736 -1.659 0.650 1.00 0.00 H new ATOM 0 HB3 LEU A 73 5.372 -0.299 -0.393 1.00 0.00 H new ATOM 0 HG LEU A 73 3.279 -1.660 -1.081 1.00 0.00 H new ATOM 0 HD11 LEU A 73 2.451 -3.120 0.727 1.00 0.00 H new ATOM 0 HD12 LEU A 73 3.952 -3.752 0.011 1.00 0.00 H new ATOM 0 HD13 LEU A 73 3.998 -2.922 1.584 1.00 0.00 H new ATOM 0 HD21 LEU A 73 2.045 -0.735 0.860 1.00 0.00 H new ATOM 0 HD22 LEU A 73 3.586 -0.504 1.719 1.00 0.00 H new ATOM 0 HD23 LEU A 73 3.245 0.422 0.238 1.00 0.00 H new ATOM 1148 N LYS A 74 6.850 -4.263 -0.960 1.00 0.00 N ATOM 1149 CA LYS A 74 6.852 -5.709 -0.844 1.00 0.00 C ATOM 1150 C LYS A 74 6.641 -6.070 0.619 1.00 0.00 C ATOM 1151 O LYS A 74 7.383 -5.611 1.490 1.00 0.00 O ATOM 1152 CB LYS A 74 8.177 -6.271 -1.378 1.00 0.00 C ATOM 1153 CG LYS A 74 8.189 -7.779 -1.605 1.00 0.00 C ATOM 1154 CD LYS A 74 8.490 -8.547 -0.327 1.00 0.00 C ATOM 1155 CE LYS A 74 8.584 -10.038 -0.585 1.00 0.00 C ATOM 1156 NZ LYS A 74 9.552 -10.356 -1.673 1.00 0.00 N ATOM 0 H LYS A 74 7.715 -3.819 -0.651 1.00 0.00 H new ATOM 0 HA LYS A 74 6.049 -6.146 -1.437 1.00 0.00 H new ATOM 0 HB2 LYS A 74 8.412 -5.775 -2.319 1.00 0.00 H new ATOM 0 HB3 LYS A 74 8.972 -6.017 -0.676 1.00 0.00 H new ATOM 0 HG2 LYS A 74 7.222 -8.094 -1.998 1.00 0.00 H new ATOM 0 HG3 LYS A 74 8.935 -8.026 -2.360 1.00 0.00 H new ATOM 0 HD2 LYS A 74 9.427 -8.191 0.101 1.00 0.00 H new ATOM 0 HD3 LYS A 74 7.709 -8.352 0.408 1.00 0.00 H new ATOM 0 HE2 LYS A 74 8.888 -10.546 0.330 1.00 0.00 H new ATOM 0 HE3 LYS A 74 7.600 -10.423 -0.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 10.094 -11.206 -1.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 9.035 -10.528 -2.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 10.204 -9.556 -1.803 1.00 0.00 H new ATOM 1170 N PRO A 75 5.618 -6.878 0.915 1.00 0.00 N ATOM 1171 CA PRO A 75 5.181 -7.106 2.284 1.00 0.00 C ATOM 1172 C PRO A 75 6.028 -8.111 3.049 1.00 0.00 C ATOM 1173 O PRO A 75 6.940 -8.737 2.509 1.00 0.00 O ATOM 1174 CB PRO A 75 3.763 -7.626 2.099 1.00 0.00 C ATOM 1175 CG PRO A 75 3.824 -8.384 0.823 1.00 0.00 C ATOM 1176 CD PRO A 75 4.802 -7.639 -0.052 1.00 0.00 C ATOM 0 HA PRO A 75 5.261 -6.199 2.884 1.00 0.00 H new ATOM 0 HB2 PRO A 75 3.460 -8.265 2.929 1.00 0.00 H new ATOM 0 HB3 PRO A 75 3.042 -6.810 2.045 1.00 0.00 H new ATOM 0 HG2 PRO A 75 4.153 -9.409 0.993 1.00 0.00 H new ATOM 0 HG3 PRO A 75 2.842 -8.438 0.353 1.00 0.00 H new ATOM 0 HD2 PRO A 75 5.413 -8.322 -0.643 1.00 0.00 H new ATOM 0 HD3 PRO A 75 4.291 -6.979 -0.753 1.00 0.00 H new ATOM 1184 N ARG A 76 5.677 -8.252 4.321 1.00 0.00 N ATOM 1185 CA ARG A 76 6.433 -9.049 5.277 1.00 0.00 C ATOM 1186 C ARG A 76 6.318 -10.537 4.979 1.00 0.00 C ATOM 1187 O ARG A 76 7.074 -11.348 5.518 1.00 0.00 O ATOM 1188 CB ARG A 76 5.918 -8.755 6.685 1.00 0.00 C ATOM 1189 CG ARG A 76 5.984 -7.278 7.057 1.00 0.00 C ATOM 1190 CD ARG A 76 5.137 -6.967 8.282 1.00 0.00 C ATOM 1191 NE ARG A 76 5.516 -7.784 9.433 1.00 0.00 N ATOM 1192 CZ ARG A 76 4.675 -8.126 10.410 1.00 0.00 C ATOM 1193 NH1 ARG A 76 3.423 -7.680 10.407 1.00 0.00 N ATOM 1194 NH2 ARG A 76 5.091 -8.908 11.398 1.00 0.00 N ATOM 0 H ARG A 76 4.849 -7.811 4.722 1.00 0.00 H new ATOM 0 HA ARG A 76 7.486 -8.780 5.199 1.00 0.00 H new ATOM 0 HB2 ARG A 76 4.886 -9.097 6.765 1.00 0.00 H new ATOM 0 HB3 ARG A 76 6.501 -9.330 7.405 1.00 0.00 H new ATOM 0 HG2 ARG A 76 7.019 -6.997 7.250 1.00 0.00 H new ATOM 0 HG3 ARG A 76 5.642 -6.675 6.216 1.00 0.00 H new ATOM 0 HD2 ARG A 76 5.241 -5.912 8.536 1.00 0.00 H new ATOM 0 HD3 ARG A 76 4.086 -7.136 8.048 1.00 0.00 H new ATOM 0 HE ARG A 76 6.480 -8.112 9.493 1.00 0.00 H new ATOM 0 HH11 ARG A 76 3.100 -7.072 9.654 1.00 0.00 H new ATOM 0 HH12 ARG A 76 2.785 -7.946 11.157 1.00 0.00 H new ATOM 0 HH21 ARG A 76 6.053 -9.247 11.410 1.00 0.00 H new ATOM 0 HH22 ARG A 76 4.449 -9.170 12.146 1.00 0.00 H new ATOM 1208 N ALA A 77 5.362 -10.892 4.126 1.00 0.00 N ATOM 1209 CA ALA A 77 5.180 -12.273 3.712 1.00 0.00 C ATOM 1210 C ALA A 77 6.242 -12.665 2.692 1.00 0.00 C ATOM 1211 O ALA A 77 5.973 -12.769 1.491 1.00 0.00 O ATOM 1212 CB ALA A 77 3.785 -12.483 3.144 1.00 0.00 C ATOM 0 H ALA A 77 4.701 -10.237 3.708 1.00 0.00 H new ATOM 0 HA ALA A 77 5.290 -12.914 4.587 1.00 0.00 H new ATOM 0 HB1 ALA A 77 3.669 -13.523 2.840 1.00 0.00 H new ATOM 0 HB2 ALA A 77 3.042 -12.242 3.905 1.00 0.00 H new ATOM 0 HB3 ALA A 77 3.643 -11.834 2.280 1.00 0.00 H new ATOM 1218 N VAL A 78 7.452 -12.874 3.188 1.00 0.00 N ATOM 1219 CA VAL A 78 8.586 -13.235 2.357 1.00 0.00 C ATOM 1220 C VAL A 78 8.343 -14.570 1.644 1.00 0.00 C ATOM 1221 O VAL A 78 8.905 -14.829 0.581 1.00 0.00 O ATOM 1222 CB VAL A 78 9.879 -13.299 3.209 1.00 0.00 C ATOM 1223 CG1 VAL A 78 9.822 -14.429 4.227 1.00 0.00 C ATOM 1224 CG2 VAL A 78 11.104 -13.425 2.328 1.00 0.00 C ATOM 0 H VAL A 78 7.674 -12.797 4.181 1.00 0.00 H new ATOM 0 HA VAL A 78 8.708 -12.465 1.595 1.00 0.00 H new ATOM 0 HB VAL A 78 9.954 -12.362 3.762 1.00 0.00 H new ATOM 0 HG11 VAL A 78 10.745 -14.444 4.806 1.00 0.00 H new ATOM 0 HG12 VAL A 78 8.976 -14.273 4.896 1.00 0.00 H new ATOM 0 HG13 VAL A 78 9.704 -15.380 3.708 1.00 0.00 H new ATOM 0 HG21 VAL A 78 11.997 -13.468 2.951 1.00 0.00 H new ATOM 0 HG22 VAL A 78 11.032 -14.336 1.733 1.00 0.00 H new ATOM 0 HG23 VAL A 78 11.165 -12.562 1.665 1.00 0.00 H new ATOM 1234 N LYS A 79 7.471 -15.392 2.221 1.00 0.00 N ATOM 1235 CA LYS A 79 7.139 -16.697 1.655 1.00 0.00 C ATOM 1236 C LYS A 79 6.463 -16.562 0.289 1.00 0.00 C ATOM 1237 O LYS A 79 6.557 -17.461 -0.547 1.00 0.00 O ATOM 1238 CB LYS A 79 6.232 -17.476 2.612 1.00 0.00 C ATOM 1239 CG LYS A 79 4.892 -16.803 2.868 1.00 0.00 C ATOM 1240 CD LYS A 79 4.037 -17.603 3.836 1.00 0.00 C ATOM 1241 CE LYS A 79 2.678 -16.953 4.028 1.00 0.00 C ATOM 1242 NZ LYS A 79 1.788 -17.752 4.908 1.00 0.00 N ATOM 0 H LYS A 79 6.978 -15.175 3.087 1.00 0.00 H new ATOM 0 HA LYS A 79 8.072 -17.244 1.517 1.00 0.00 H new ATOM 0 HB2 LYS A 79 6.057 -18.471 2.203 1.00 0.00 H new ATOM 0 HB3 LYS A 79 6.750 -17.608 3.562 1.00 0.00 H new ATOM 0 HG2 LYS A 79 5.058 -15.803 3.270 1.00 0.00 H new ATOM 0 HG3 LYS A 79 4.359 -16.683 1.925 1.00 0.00 H new ATOM 0 HD2 LYS A 79 3.909 -18.618 3.460 1.00 0.00 H new ATOM 0 HD3 LYS A 79 4.546 -17.681 4.797 1.00 0.00 H new ATOM 0 HE2 LYS A 79 2.811 -15.959 4.456 1.00 0.00 H new ATOM 0 HE3 LYS A 79 2.201 -16.821 3.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 0.873 -17.268 5.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 1.638 -18.692 4.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 2.229 -17.857 5.844 1.00 0.00 H new ATOM 1256 N ASN A 80 5.780 -15.441 0.062 1.00 0.00 N ATOM 1257 CA ASN A 80 5.081 -15.228 -1.202 1.00 0.00 C ATOM 1258 C ASN A 80 6.050 -14.816 -2.296 1.00 0.00 C ATOM 1259 O ASN A 80 5.864 -15.175 -3.456 1.00 0.00 O ATOM 1260 CB ASN A 80 3.998 -14.164 -1.082 1.00 0.00 C ATOM 1261 CG ASN A 80 2.852 -14.580 -0.194 1.00 0.00 C ATOM 1262 OD1 ASN A 80 2.595 -15.771 0.003 1.00 0.00 O ATOM 1263 ND2 ASN A 80 2.133 -13.602 0.324 1.00 0.00 N ATOM 0 H ASN A 80 5.697 -14.674 0.730 1.00 0.00 H new ATOM 0 HA ASN A 80 4.613 -16.178 -1.460 1.00 0.00 H new ATOM 0 HB2 ASN A 80 4.440 -13.248 -0.689 1.00 0.00 H new ATOM 0 HB3 ASN A 80 3.614 -13.932 -2.075 1.00 0.00 H new ATOM 0 HD21 ASN A 80 1.329 -13.817 0.913 1.00 0.00 H new ATOM 0 HD22 ASN A 80 2.381 -12.631 0.135 1.00 0.00 H new ATOM 1270 N SER A 81 7.074 -14.055 -1.888 1.00 0.00 N ATOM 1271 CA SER A 81 8.111 -13.503 -2.774 1.00 0.00 C ATOM 1272 C SER A 81 7.525 -12.605 -3.870 1.00 0.00 C ATOM 1273 O SER A 81 7.645 -11.379 -3.801 1.00 0.00 O ATOM 1274 CB SER A 81 9.011 -14.604 -3.375 1.00 0.00 C ATOM 1275 OG SER A 81 8.305 -15.482 -4.235 1.00 0.00 O ATOM 0 H SER A 81 7.209 -13.799 -0.910 1.00 0.00 H new ATOM 0 HA SER A 81 8.742 -12.874 -2.146 1.00 0.00 H new ATOM 0 HB2 SER A 81 9.826 -14.138 -3.929 1.00 0.00 H new ATOM 0 HB3 SER A 81 9.462 -15.179 -2.567 1.00 0.00 H new ATOM 0 HG SER A 81 7.441 -15.709 -3.833 1.00 0.00 H new ATOM 1281 N SER A 82 6.870 -13.210 -4.848 1.00 0.00 N ATOM 1282 CA SER A 82 6.336 -12.489 -5.988 1.00 0.00 C ATOM 1283 C SER A 82 4.962 -11.887 -5.680 1.00 0.00 C ATOM 1284 O SER A 82 3.976 -12.177 -6.357 1.00 0.00 O ATOM 1285 CB SER A 82 6.247 -13.429 -7.192 1.00 0.00 C ATOM 1286 OG SER A 82 7.505 -14.033 -7.455 1.00 0.00 O ATOM 0 H SER A 82 6.695 -14.215 -4.872 1.00 0.00 H new ATOM 0 HA SER A 82 7.010 -11.664 -6.218 1.00 0.00 H new ATOM 0 HB2 SER A 82 5.501 -14.201 -7.002 1.00 0.00 H new ATOM 0 HB3 SER A 82 5.915 -12.873 -8.069 1.00 0.00 H new ATOM 0 HG SER A 82 7.426 -14.631 -8.227 1.00 0.00 H new ATOM 1292 N VAL A 83 4.906 -11.056 -4.647 1.00 0.00 N ATOM 1293 CA VAL A 83 3.702 -10.303 -4.333 1.00 0.00 C ATOM 1294 C VAL A 83 4.078 -8.855 -4.040 1.00 0.00 C ATOM 1295 O VAL A 83 5.013 -8.588 -3.281 1.00 0.00 O ATOM 1296 CB VAL A 83 2.912 -10.912 -3.144 1.00 0.00 C ATOM 1297 CG1 VAL A 83 3.746 -10.953 -1.873 1.00 0.00 C ATOM 1298 CG2 VAL A 83 1.623 -10.138 -2.905 1.00 0.00 C ATOM 0 H VAL A 83 5.685 -10.887 -4.011 1.00 0.00 H new ATOM 0 HA VAL A 83 3.042 -10.349 -5.199 1.00 0.00 H new ATOM 0 HB VAL A 83 2.664 -11.939 -3.410 1.00 0.00 H new ATOM 0 HG11 VAL A 83 3.157 -11.386 -1.065 1.00 0.00 H new ATOM 0 HG12 VAL A 83 4.635 -11.562 -2.040 1.00 0.00 H new ATOM 0 HG13 VAL A 83 4.045 -9.941 -1.602 1.00 0.00 H new ATOM 0 HG21 VAL A 83 1.083 -10.580 -2.068 1.00 0.00 H new ATOM 0 HG22 VAL A 83 1.860 -9.099 -2.676 1.00 0.00 H new ATOM 0 HG23 VAL A 83 1.002 -10.180 -3.800 1.00 0.00 H new ATOM 1308 N GLN A 84 3.381 -7.924 -4.671 1.00 0.00 N ATOM 1309 CA GLN A 84 3.717 -6.515 -4.545 1.00 0.00 C ATOM 1310 C GLN A 84 2.474 -5.662 -4.367 1.00 0.00 C ATOM 1311 O GLN A 84 1.449 -5.887 -5.012 1.00 0.00 O ATOM 1312 CB GLN A 84 4.484 -6.035 -5.780 1.00 0.00 C ATOM 1313 CG GLN A 84 5.764 -6.806 -6.046 1.00 0.00 C ATOM 1314 CD GLN A 84 6.503 -6.300 -7.265 1.00 0.00 C ATOM 1315 OE1 GLN A 84 7.361 -5.423 -7.165 1.00 0.00 O ATOM 1316 NE2 GLN A 84 6.173 -6.841 -8.424 1.00 0.00 N ATOM 0 H GLN A 84 2.581 -8.118 -5.274 1.00 0.00 H new ATOM 0 HA GLN A 84 4.343 -6.408 -3.659 1.00 0.00 H new ATOM 0 HB2 GLN A 84 3.835 -6.115 -6.652 1.00 0.00 H new ATOM 0 HB3 GLN A 84 4.726 -4.979 -5.658 1.00 0.00 H new ATOM 0 HG2 GLN A 84 6.415 -6.734 -5.175 1.00 0.00 H new ATOM 0 HG3 GLN A 84 5.527 -7.861 -6.181 1.00 0.00 H new ATOM 0 HE21 GLN A 84 5.456 -7.566 -8.463 1.00 0.00 H new ATOM 0 HE22 GLN A 84 6.635 -6.534 -9.280 1.00 0.00 H new ATOM 1325 N PHE A 85 2.574 -4.687 -3.483 1.00 0.00 N ATOM 1326 CA PHE A 85 1.526 -3.701 -3.311 1.00 0.00 C ATOM 1327 C PHE A 85 1.921 -2.408 -4.004 1.00 0.00 C ATOM 1328 O PHE A 85 3.017 -1.886 -3.789 1.00 0.00 O ATOM 1329 CB PHE A 85 1.283 -3.405 -1.834 1.00 0.00 C ATOM 1330 CG PHE A 85 0.594 -4.503 -1.063 1.00 0.00 C ATOM 1331 CD1 PHE A 85 -0.789 -4.569 -1.017 1.00 0.00 C ATOM 1332 CD2 PHE A 85 1.326 -5.448 -0.360 1.00 0.00 C ATOM 1333 CE1 PHE A 85 -1.430 -5.554 -0.291 1.00 0.00 C ATOM 1334 CE2 PHE A 85 0.690 -6.433 0.372 1.00 0.00 C ATOM 1335 CZ PHE A 85 -0.690 -6.486 0.407 1.00 0.00 C ATOM 0 H PHE A 85 3.378 -4.557 -2.869 1.00 0.00 H new ATOM 0 HA PHE A 85 0.612 -4.105 -3.747 1.00 0.00 H new ATOM 0 HB2 PHE A 85 2.242 -3.196 -1.359 1.00 0.00 H new ATOM 0 HB3 PHE A 85 0.684 -2.497 -1.756 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -1.375 -3.840 -1.557 1.00 0.00 H new ATOM 0 HD2 PHE A 85 2.405 -5.414 -0.385 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -2.509 -5.594 -0.270 1.00 0.00 H new ATOM 0 HE2 PHE A 85 1.272 -7.161 0.917 1.00 0.00 H new ATOM 0 HZ PHE A 85 -1.188 -7.255 0.979 1.00 0.00 H new ATOM 1345 N HIS A 86 1.043 -1.901 -4.840 1.00 0.00 N ATOM 1346 CA HIS A 86 1.252 -0.604 -5.457 1.00 0.00 C ATOM 1347 C HIS A 86 0.509 0.447 -4.670 1.00 0.00 C ATOM 1348 O HIS A 86 -0.717 0.491 -4.709 1.00 0.00 O ATOM 1349 CB HIS A 86 0.752 -0.565 -6.901 1.00 0.00 C ATOM 1350 CG HIS A 86 1.540 -1.391 -7.860 1.00 0.00 C ATOM 1351 ND1 HIS A 86 2.072 -0.886 -9.025 1.00 0.00 N ATOM 1352 CD2 HIS A 86 1.848 -2.703 -7.847 1.00 0.00 C ATOM 1353 CE1 HIS A 86 2.670 -1.858 -9.688 1.00 0.00 C ATOM 1354 NE2 HIS A 86 2.550 -2.973 -8.993 1.00 0.00 N ATOM 0 H HIS A 86 0.176 -2.365 -5.110 1.00 0.00 H new ATOM 0 HA HIS A 86 2.325 -0.413 -5.459 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -0.285 -0.901 -6.921 1.00 0.00 H new ATOM 0 HB3 HIS A 86 0.758 0.469 -7.245 1.00 0.00 H new ATOM 0 HD1 HIS A 86 2.013 0.086 -9.328 1.00 0.00 H new ATOM 0 HD2 HIS A 86 1.589 -3.412 -7.075 1.00 0.00 H new ATOM 0 HE1 HIS A 86 3.173 -1.758 -10.639 1.00 0.00 H new ATOM 0 HE2 HIS A 86 2.919 -3.885 -9.264 1.00 0.00 H new ATOM 1363 N VAL A 87 1.229 1.278 -3.947 1.00 0.00 N ATOM 1364 CA VAL A 87 0.595 2.387 -3.280 1.00 0.00 C ATOM 1365 C VAL A 87 0.641 3.587 -4.199 1.00 0.00 C ATOM 1366 O VAL A 87 1.700 4.168 -4.431 1.00 0.00 O ATOM 1367 CB VAL A 87 1.271 2.718 -1.935 1.00 0.00 C ATOM 1368 CG1 VAL A 87 0.739 4.023 -1.365 1.00 0.00 C ATOM 1369 CG2 VAL A 87 1.059 1.585 -0.947 1.00 0.00 C ATOM 0 H VAL A 87 2.237 1.207 -3.809 1.00 0.00 H new ATOM 0 HA VAL A 87 -0.437 2.116 -3.055 1.00 0.00 H new ATOM 0 HB VAL A 87 2.340 2.836 -2.111 1.00 0.00 H new ATOM 0 HG11 VAL A 87 1.232 4.233 -0.416 1.00 0.00 H new ATOM 0 HG12 VAL A 87 0.939 4.834 -2.065 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -0.336 3.939 -1.204 1.00 0.00 H new ATOM 0 HG21 VAL A 87 1.542 1.832 -0.001 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -0.009 1.441 -0.783 1.00 0.00 H new ATOM 0 HG23 VAL A 87 1.492 0.668 -1.347 1.00 0.00 H new ATOM 1379 N ILE A 88 -0.516 3.952 -4.704 1.00 0.00 N ATOM 1380 CA ILE A 88 -0.620 4.995 -5.698 1.00 0.00 C ATOM 1381 C ILE A 88 -1.100 6.268 -5.052 1.00 0.00 C ATOM 1382 O ILE A 88 -2.034 6.253 -4.259 1.00 0.00 O ATOM 1383 CB ILE A 88 -1.580 4.585 -6.830 1.00 0.00 C ATOM 1384 CG1 ILE A 88 -1.111 3.266 -7.455 1.00 0.00 C ATOM 1385 CG2 ILE A 88 -1.669 5.684 -7.882 1.00 0.00 C ATOM 1386 CD1 ILE A 88 -2.039 2.721 -8.517 1.00 0.00 C ATOM 0 H ILE A 88 -1.408 3.535 -4.438 1.00 0.00 H new ATOM 0 HA ILE A 88 0.367 5.157 -6.131 1.00 0.00 H new ATOM 0 HB ILE A 88 -2.577 4.440 -6.415 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -0.124 3.415 -7.892 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -1.002 2.521 -6.666 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -2.352 5.376 -8.673 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -2.038 6.600 -7.421 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -0.681 5.863 -8.305 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -1.635 1.787 -8.908 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -3.022 2.538 -8.082 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -2.130 3.445 -9.327 1.00 0.00 H new ATOM 1398 N PHE A 89 -0.467 7.364 -5.390 1.00 0.00 N ATOM 1399 CA PHE A 89 -0.762 8.619 -4.753 1.00 0.00 C ATOM 1400 C PHE A 89 -1.623 9.495 -5.645 1.00 0.00 C ATOM 1401 O PHE A 89 -1.176 9.970 -6.693 1.00 0.00 O ATOM 1402 CB PHE A 89 0.531 9.312 -4.381 1.00 0.00 C ATOM 1403 CG PHE A 89 1.239 8.561 -3.304 1.00 0.00 C ATOM 1404 CD1 PHE A 89 0.719 8.539 -2.024 1.00 0.00 C ATOM 1405 CD2 PHE A 89 2.389 7.842 -3.576 1.00 0.00 C ATOM 1406 CE1 PHE A 89 1.332 7.812 -1.031 1.00 0.00 C ATOM 1407 CE2 PHE A 89 3.011 7.119 -2.583 1.00 0.00 C ATOM 1408 CZ PHE A 89 2.477 7.105 -1.309 1.00 0.00 C ATOM 0 H PHE A 89 0.258 7.410 -6.106 1.00 0.00 H new ATOM 0 HA PHE A 89 -1.333 8.431 -3.843 1.00 0.00 H new ATOM 0 HB2 PHE A 89 1.173 9.391 -5.258 1.00 0.00 H new ATOM 0 HB3 PHE A 89 0.322 10.328 -4.046 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -0.178 9.098 -1.801 1.00 0.00 H new ATOM 0 HD2 PHE A 89 2.802 7.848 -4.574 1.00 0.00 H new ATOM 0 HE1 PHE A 89 0.915 7.797 -0.035 1.00 0.00 H new ATOM 0 HE2 PHE A 89 3.913 6.565 -2.799 1.00 0.00 H new ATOM 0 HZ PHE A 89 2.961 6.536 -0.529 1.00 0.00 H new ATOM 1418 N ASP A 90 -2.866 9.673 -5.241 1.00 0.00 N ATOM 1419 CA ASP A 90 -3.817 10.455 -6.014 1.00 0.00 C ATOM 1420 C ASP A 90 -3.943 11.863 -5.451 1.00 0.00 C ATOM 1421 O ASP A 90 -4.263 12.038 -4.272 1.00 0.00 O ATOM 1422 CB ASP A 90 -5.201 9.795 -6.008 1.00 0.00 C ATOM 1423 CG ASP A 90 -5.207 8.402 -6.605 1.00 0.00 C ATOM 1424 OD1 ASP A 90 -4.813 8.253 -7.783 1.00 0.00 O ATOM 1425 OD2 ASP A 90 -5.618 7.452 -5.907 1.00 0.00 O ATOM 0 H ASP A 90 -3.244 9.285 -4.377 1.00 0.00 H new ATOM 0 HA ASP A 90 -3.443 10.504 -7.037 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -5.566 9.744 -4.982 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -5.897 10.423 -6.564 1.00 0.00 H new ATOM 1430 N GLU A 91 -3.689 12.869 -6.280 1.00 0.00 N ATOM 1431 CA GLU A 91 -3.933 14.244 -5.876 1.00 0.00 C ATOM 1432 C GLU A 91 -5.391 14.594 -6.126 1.00 0.00 C ATOM 1433 O GLU A 91 -5.838 14.638 -7.274 1.00 0.00 O ATOM 1434 CB GLU A 91 -3.045 15.236 -6.641 1.00 0.00 C ATOM 1435 CG GLU A 91 -1.553 15.107 -6.369 1.00 0.00 C ATOM 1436 CD GLU A 91 -0.913 13.950 -7.103 1.00 0.00 C ATOM 1437 OE1 GLU A 91 -1.358 13.635 -8.228 1.00 0.00 O ATOM 1438 OE2 GLU A 91 0.050 13.366 -6.572 1.00 0.00 O ATOM 0 H GLU A 91 -3.319 12.759 -7.224 1.00 0.00 H new ATOM 0 HA GLU A 91 -3.693 14.322 -4.816 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -3.217 15.105 -7.709 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -3.358 16.249 -6.390 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -1.056 16.033 -6.659 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -1.395 14.982 -5.298 1.00 0.00 H new ATOM 1445 N GLU A 92 -6.129 14.831 -5.053 1.00 0.00 N ATOM 1446 CA GLU A 92 -7.531 15.214 -5.153 1.00 0.00 C ATOM 1447 C GLU A 92 -7.862 16.185 -4.035 1.00 0.00 C ATOM 1448 O GLU A 92 -8.053 15.726 -2.891 1.00 0.00 O ATOM 1449 CB GLU A 92 -8.461 13.995 -5.065 1.00 0.00 C ATOM 1450 CG GLU A 92 -8.077 12.852 -5.988 1.00 0.00 C ATOM 1451 CD GLU A 92 -9.199 11.859 -6.189 1.00 0.00 C ATOM 1452 OE1 GLU A 92 -9.645 11.241 -5.200 1.00 0.00 O ATOM 1453 OE2 GLU A 92 -9.659 11.707 -7.339 1.00 0.00 O ATOM 1454 OXT GLU A 92 -7.894 17.403 -4.291 1.00 0.00 O ATOM 0 H GLU A 92 -5.779 14.765 -4.097 1.00 0.00 H new ATOM 0 HA GLU A 92 -7.687 15.683 -6.124 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -8.468 13.631 -4.038 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -9.478 14.310 -5.299 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -7.778 13.257 -6.955 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -7.210 12.335 -5.577 1.00 0.00 H new TER 1461 GLU A 92