USER MOD reduce.3.24.130724 H: found=0, std=0, add=653, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 652 hydrogens (32 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 NoAdj-H: A 18 HIS HE2 : A 18 HIS NE2 : A 88 HECFE :(H bumps) USER MOD NoAdj-H: A 88 HEC HAC : A 88 HEC CAC : A 17 CYS SG :(H bumps) USER MOD NoAdj-H: A 88 HEC HAB : A 88 HEC CAB : A 14 CYS SG :(H bumps) USER MOD Set 1.1: A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 88 HEC O2D : rot -140:sc= 0.77 USER MOD Set 2.1: A 52 GLN :FLIP amide:sc= -0.0833 F(o=-9.9,f=-8.8) USER MOD Set 2.2: A 53 HIS :FLIP no HE2:sc= -8.76! C(o=-11!,f=-8.8!) USER MOD Set 3.1: A 5 ASN : amide:sc= 0.829 K(o=-7.5,f=-23!) USER MOD Set 3.2: A 8 LYS NZ :NH3+ -168:sc= 1.11 (180deg=0) USER MOD Set 3.3: A 69 GLN : amide:sc= -9.43! C(o=-7.5!,f=-8!) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot 78:sc= 1 USER MOD Single : A 13 ASN :FLIP amide:sc= -4.99! C(o=-6.6!,f=-5!) USER MOD Single : A 19 MET CE :methyl -140:sc= 0 (180deg=-1.15) USER MOD Single : A 23 ASN : amide:sc= -5.45! C(o=-5.5!,f=-6.4!) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN : amide:sc= -1.29 X(o=-1.3,f=-0.92) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN :FLIP amide:sc= -1.14! C(o=-2.3!,f=-1.1!) USER MOD Single : A 41 MET CE :methyl 142:sc= -7.51! (180deg=-12.9!) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0.0916 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= -13.9! C(o=-14!,f=-15!) USER MOD Single : A 55 LYS NZ :NH3+ -145:sc= -1.23 (180deg=-3.53!) USER MOD Single : A 56 ASN : amide:sc=-0.00526 X(o=-0.0053,f=-0.0053) USER MOD Single : A 58 MET CE :methyl -151:sc= -8.65! (180deg=-13.1!) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 GLN :FLIP amide:sc= -1.43 F(o=-2.1!,f=-1.4) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 GLN :FLIP amide:sc= -15.3! C(o=-16!,f=-15!) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 HEC O2A : rot 63:sc= -0.679 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 32.139 11.847 -15.781 1.00 0.00 N ATOM 2 CA ALA A 1 32.155 10.365 -15.928 1.00 0.00 C ATOM 3 C ALA A 1 31.009 9.931 -16.845 1.00 0.00 C ATOM 4 O ALA A 1 29.858 10.227 -16.597 1.00 0.00 O ATOM 5 CB ALA A 1 31.982 9.715 -14.553 1.00 0.00 C ATOM 0 H1 ALA A 1 32.918 12.142 -15.158 1.00 0.00 H new ATOM 0 H2 ALA A 1 32.256 12.290 -16.715 1.00 0.00 H new ATOM 0 H3 ALA A 1 31.233 12.145 -15.367 1.00 0.00 H new ATOM 0 HA ALA A 1 33.105 10.053 -16.361 1.00 0.00 H new ATOM 0 HB1 ALA A 1 31.994 8.630 -14.659 1.00 0.00 H new ATOM 0 HB2 ALA A 1 32.797 10.024 -13.899 1.00 0.00 H new ATOM 0 HB3 ALA A 1 31.032 10.027 -14.120 1.00 0.00 H new ATOM 13 N ASP A 2 31.317 9.231 -17.902 1.00 0.00 N ATOM 14 CA ASP A 2 30.245 8.778 -18.833 1.00 0.00 C ATOM 15 C ASP A 2 30.285 7.256 -18.954 1.00 0.00 C ATOM 16 O ASP A 2 29.297 6.626 -19.278 1.00 0.00 O ATOM 17 CB ASP A 2 30.467 9.394 -20.215 1.00 0.00 C ATOM 18 CG ASP A 2 30.462 10.920 -20.104 1.00 0.00 C ATOM 19 OD1 ASP A 2 31.522 11.483 -19.888 1.00 0.00 O ATOM 20 OD2 ASP A 2 29.396 11.500 -20.239 1.00 0.00 O ATOM 0 H ASP A 2 32.264 8.953 -18.161 1.00 0.00 H new ATOM 0 HA ASP A 2 29.277 9.093 -18.444 1.00 0.00 H new ATOM 0 HB2 ASP A 2 31.416 9.053 -20.628 1.00 0.00 H new ATOM 0 HB3 ASP A 2 29.685 9.067 -20.900 1.00 0.00 H new ATOM 25 N LEU A 3 31.417 6.655 -18.704 1.00 0.00 N ATOM 26 CA LEU A 3 31.501 5.174 -18.812 1.00 0.00 C ATOM 27 C LEU A 3 30.699 4.536 -17.682 1.00 0.00 C ATOM 28 O LEU A 3 30.517 3.335 -17.643 1.00 0.00 O ATOM 29 CB LEU A 3 32.961 4.724 -18.736 1.00 0.00 C ATOM 30 CG LEU A 3 33.809 5.490 -19.763 1.00 0.00 C ATOM 31 CD1 LEU A 3 35.018 4.638 -20.140 1.00 0.00 C ATOM 32 CD2 LEU A 3 32.992 5.778 -21.028 1.00 0.00 C ATOM 0 H LEU A 3 32.281 7.124 -18.431 1.00 0.00 H new ATOM 0 HA LEU A 3 31.088 4.859 -19.770 1.00 0.00 H new ATOM 0 HB2 LEU A 3 33.350 4.896 -17.732 1.00 0.00 H new ATOM 0 HB3 LEU A 3 33.029 3.653 -18.925 1.00 0.00 H new ATOM 0 HG LEU A 3 34.127 6.435 -19.324 1.00 0.00 H new ATOM 0 HD11 LEU A 3 35.627 5.173 -20.869 1.00 0.00 H new ATOM 0 HD12 LEU A 3 35.613 4.436 -19.249 1.00 0.00 H new ATOM 0 HD13 LEU A 3 34.679 3.696 -20.572 1.00 0.00 H new ATOM 0 HD21 LEU A 3 33.609 6.321 -21.744 1.00 0.00 H new ATOM 0 HD22 LEU A 3 32.664 4.838 -21.471 1.00 0.00 H new ATOM 0 HD23 LEU A 3 32.121 6.380 -20.769 1.00 0.00 H new ATOM 44 N ALA A 4 30.183 5.324 -16.780 1.00 0.00 N ATOM 45 CA ALA A 4 29.358 4.740 -15.703 1.00 0.00 C ATOM 46 C ALA A 4 28.186 4.069 -16.400 1.00 0.00 C ATOM 47 O ALA A 4 27.626 3.095 -15.938 1.00 0.00 O ATOM 48 CB ALA A 4 28.860 5.843 -14.767 1.00 0.00 C ATOM 0 H ALA A 4 30.299 6.337 -16.747 1.00 0.00 H new ATOM 0 HA ALA A 4 29.923 4.031 -15.098 1.00 0.00 H new ATOM 0 HB1 ALA A 4 28.253 5.402 -13.976 1.00 0.00 H new ATOM 0 HB2 ALA A 4 29.713 6.358 -14.325 1.00 0.00 H new ATOM 0 HB3 ALA A 4 28.259 6.556 -15.332 1.00 0.00 H new ATOM 54 N ASN A 5 27.851 4.587 -17.549 1.00 0.00 N ATOM 55 CA ASN A 5 26.760 4.012 -18.361 1.00 0.00 C ATOM 56 C ASN A 5 27.277 2.713 -18.976 1.00 0.00 C ATOM 57 O ASN A 5 26.556 1.752 -19.142 1.00 0.00 O ATOM 58 CB ASN A 5 26.420 5.011 -19.462 1.00 0.00 C ATOM 59 CG ASN A 5 24.979 5.498 -19.289 1.00 0.00 C ATOM 60 OD1 ASN A 5 24.199 5.466 -20.219 1.00 0.00 O ATOM 61 ND2 ASN A 5 24.594 5.952 -18.127 1.00 0.00 N ATOM 0 H ASN A 5 28.302 5.403 -17.962 1.00 0.00 H new ATOM 0 HA ASN A 5 25.871 3.810 -17.763 1.00 0.00 H new ATOM 0 HB2 ASN A 5 27.107 5.856 -19.424 1.00 0.00 H new ATOM 0 HB3 ASN A 5 26.542 4.545 -20.440 1.00 0.00 H new ATOM 0 HD21 ASN A 5 23.637 6.280 -17.999 1.00 0.00 H new ATOM 0 HD22 ASN A 5 25.250 5.978 -17.347 1.00 0.00 H new ATOM 68 N GLY A 6 28.541 2.681 -19.296 1.00 0.00 N ATOM 69 CA GLY A 6 29.132 1.447 -19.876 1.00 0.00 C ATOM 70 C GLY A 6 28.827 0.277 -18.941 1.00 0.00 C ATOM 71 O GLY A 6 28.159 -0.657 -19.307 1.00 0.00 O ATOM 0 H GLY A 6 29.190 3.459 -19.180 1.00 0.00 H new ATOM 0 HA2 GLY A 6 28.718 1.258 -20.866 1.00 0.00 H new ATOM 0 HA3 GLY A 6 30.209 1.564 -19.998 1.00 0.00 H new ATOM 75 N ALA A 7 29.306 0.327 -17.730 1.00 0.00 N ATOM 76 CA ALA A 7 29.040 -0.785 -16.776 1.00 0.00 C ATOM 77 C ALA A 7 27.554 -1.123 -16.784 1.00 0.00 C ATOM 78 O ALA A 7 27.166 -2.267 -16.671 1.00 0.00 O ATOM 79 CB ALA A 7 29.450 -0.363 -15.365 1.00 0.00 C ATOM 0 H ALA A 7 29.871 1.091 -17.359 1.00 0.00 H new ATOM 0 HA ALA A 7 29.617 -1.659 -17.078 1.00 0.00 H new ATOM 0 HB1 ALA A 7 29.254 -1.179 -14.670 1.00 0.00 H new ATOM 0 HB2 ALA A 7 30.513 -0.122 -15.352 1.00 0.00 H new ATOM 0 HB3 ALA A 7 28.876 0.514 -15.066 1.00 0.00 H new ATOM 85 N LYS A 8 26.717 -0.136 -16.915 1.00 0.00 N ATOM 86 CA LYS A 8 25.258 -0.407 -16.932 1.00 0.00 C ATOM 87 C LYS A 8 24.964 -1.364 -18.083 1.00 0.00 C ATOM 88 O LYS A 8 24.249 -2.336 -17.934 1.00 0.00 O ATOM 89 CB LYS A 8 24.492 0.911 -17.120 1.00 0.00 C ATOM 90 CG LYS A 8 23.142 0.662 -17.817 1.00 0.00 C ATOM 91 CD LYS A 8 23.251 0.992 -19.314 1.00 0.00 C ATOM 92 CE LYS A 8 23.839 2.391 -19.491 1.00 0.00 C ATOM 93 NZ LYS A 8 22.863 3.252 -20.217 1.00 0.00 N ATOM 0 H LYS A 8 26.980 0.845 -17.011 1.00 0.00 H new ATOM 0 HA LYS A 8 24.941 -0.856 -15.991 1.00 0.00 H new ATOM 0 HB2 LYS A 8 24.325 1.382 -16.151 1.00 0.00 H new ATOM 0 HB3 LYS A 8 25.090 1.604 -17.712 1.00 0.00 H new ATOM 0 HG2 LYS A 8 22.843 -0.378 -17.687 1.00 0.00 H new ATOM 0 HG3 LYS A 8 22.368 1.276 -17.357 1.00 0.00 H new ATOM 0 HD2 LYS A 8 23.881 0.256 -19.814 1.00 0.00 H new ATOM 0 HD3 LYS A 8 22.267 0.939 -19.781 1.00 0.00 H new ATOM 0 HE2 LYS A 8 24.070 2.826 -18.519 1.00 0.00 H new ATOM 0 HE3 LYS A 8 24.775 2.336 -20.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 23.331 4.131 -20.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 22.509 2.746 -21.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 22.067 3.481 -19.588 1.00 0.00 H new ATOM 107 N VAL A 9 25.516 -1.096 -19.230 1.00 0.00 N ATOM 108 CA VAL A 9 25.276 -1.988 -20.393 1.00 0.00 C ATOM 109 C VAL A 9 26.095 -3.266 -20.230 1.00 0.00 C ATOM 110 O VAL A 9 25.555 -4.344 -20.130 1.00 0.00 O ATOM 111 CB VAL A 9 25.692 -1.269 -21.672 1.00 0.00 C ATOM 112 CG1 VAL A 9 25.752 -2.267 -22.829 1.00 0.00 C ATOM 113 CG2 VAL A 9 24.663 -0.188 -21.987 1.00 0.00 C ATOM 0 H VAL A 9 26.123 -0.297 -19.412 1.00 0.00 H new ATOM 0 HA VAL A 9 24.218 -2.244 -20.449 1.00 0.00 H new ATOM 0 HB VAL A 9 26.676 -0.819 -21.537 1.00 0.00 H new ATOM 0 HG11 VAL A 9 26.050 -1.749 -23.741 1.00 0.00 H new ATOM 0 HG12 VAL A 9 26.479 -3.046 -22.600 1.00 0.00 H new ATOM 0 HG13 VAL A 9 24.770 -2.718 -22.972 1.00 0.00 H new ATOM 0 HG21 VAL A 9 24.951 0.333 -22.900 1.00 0.00 H new ATOM 0 HG22 VAL A 9 23.684 -0.647 -22.124 1.00 0.00 H new ATOM 0 HG23 VAL A 9 24.618 0.523 -21.162 1.00 0.00 H new ATOM 123 N PHE A 10 27.393 -3.154 -20.210 1.00 0.00 N ATOM 124 CA PHE A 10 28.247 -4.361 -20.061 1.00 0.00 C ATOM 125 C PHE A 10 27.729 -5.262 -18.941 1.00 0.00 C ATOM 126 O PHE A 10 27.986 -6.449 -18.916 1.00 0.00 O ATOM 127 CB PHE A 10 29.675 -3.921 -19.747 1.00 0.00 C ATOM 128 CG PHE A 10 30.510 -5.141 -19.480 1.00 0.00 C ATOM 129 CD1 PHE A 10 30.382 -5.794 -18.259 1.00 0.00 C ATOM 130 CD2 PHE A 10 31.393 -5.632 -20.449 1.00 0.00 C ATOM 131 CE1 PHE A 10 31.129 -6.935 -17.998 1.00 0.00 C ATOM 132 CE2 PHE A 10 32.143 -6.781 -20.188 1.00 0.00 C ATOM 133 CZ PHE A 10 32.012 -7.435 -18.960 1.00 0.00 C ATOM 0 H PHE A 10 27.900 -2.273 -20.291 1.00 0.00 H new ATOM 0 HA PHE A 10 28.223 -4.928 -20.992 1.00 0.00 H new ATOM 0 HB2 PHE A 10 30.088 -3.356 -20.583 1.00 0.00 H new ATOM 0 HB3 PHE A 10 29.684 -3.260 -18.880 1.00 0.00 H new ATOM 0 HD1 PHE A 10 29.701 -5.413 -17.513 1.00 0.00 H new ATOM 0 HD2 PHE A 10 31.494 -5.123 -21.396 1.00 0.00 H new ATOM 0 HE1 PHE A 10 31.028 -7.438 -17.048 1.00 0.00 H new ATOM 0 HE2 PHE A 10 32.823 -7.164 -20.934 1.00 0.00 H new ATOM 0 HZ PHE A 10 32.591 -8.323 -18.755 1.00 0.00 H new ATOM 143 N SER A 11 27.004 -4.713 -18.021 1.00 0.00 N ATOM 144 CA SER A 11 26.468 -5.536 -16.900 1.00 0.00 C ATOM 145 C SER A 11 25.084 -6.059 -17.279 1.00 0.00 C ATOM 146 O SER A 11 24.223 -6.237 -16.442 1.00 0.00 O ATOM 147 CB SER A 11 26.363 -4.682 -15.636 1.00 0.00 C ATOM 148 OG SER A 11 27.643 -4.163 -15.309 1.00 0.00 O ATOM 0 H SER A 11 26.754 -3.725 -17.991 1.00 0.00 H new ATOM 0 HA SER A 11 27.139 -6.374 -16.711 1.00 0.00 H new ATOM 0 HB2 SER A 11 25.657 -3.866 -15.793 1.00 0.00 H new ATOM 0 HB3 SER A 11 25.980 -5.281 -14.810 1.00 0.00 H new ATOM 0 HG SER A 11 27.850 -3.408 -15.899 1.00 0.00 H new ATOM 154 N GLY A 12 24.868 -6.303 -18.539 1.00 0.00 N ATOM 155 CA GLY A 12 23.544 -6.811 -18.980 1.00 0.00 C ATOM 156 C GLY A 12 23.635 -7.433 -20.380 1.00 0.00 C ATOM 157 O GLY A 12 22.930 -8.372 -20.692 1.00 0.00 O ATOM 0 H GLY A 12 25.553 -6.172 -19.283 1.00 0.00 H new ATOM 0 HA2 GLY A 12 23.180 -7.554 -18.270 1.00 0.00 H new ATOM 0 HA3 GLY A 12 22.821 -5.996 -18.986 1.00 0.00 H new ATOM 161 N ASN A 13 24.489 -6.926 -21.227 1.00 0.00 N ATOM 162 CA ASN A 13 24.607 -7.501 -22.597 1.00 0.00 C ATOM 163 C ASN A 13 26.017 -8.042 -22.781 1.00 0.00 C ATOM 164 O ASN A 13 26.221 -9.166 -23.192 1.00 0.00 O ATOM 165 CB ASN A 13 24.343 -6.407 -23.634 1.00 0.00 C ATOM 166 CG ASN A 13 23.259 -5.466 -23.105 1.00 0.00 C ATOM 167 OD1 ASN A 13 23.583 -4.537 -22.248 1.00 0.00 O flip ATOM 168 ND2 ASN A 13 22.107 -5.580 -23.473 1.00 0.00 N flip ATOM 0 H ASN A 13 25.109 -6.140 -21.030 1.00 0.00 H new ATOM 0 HA ASN A 13 23.880 -8.303 -22.727 1.00 0.00 H new ATOM 0 HB2 ASN A 13 25.259 -5.851 -23.835 1.00 0.00 H new ATOM 0 HB3 ASN A 13 24.027 -6.852 -24.578 1.00 0.00 H new ATOM 0 HD21 ASN A 13 21.855 -6.307 -24.143 1.00 0.00 H new ATOM 0 HD22 ASN A 13 21.391 -4.949 -23.112 1.00 0.00 H new ATOM 175 N CYS A 14 26.992 -7.241 -22.471 1.00 0.00 N ATOM 176 CA CYS A 14 28.396 -7.689 -22.614 1.00 0.00 C ATOM 177 C CYS A 14 28.685 -8.745 -21.544 1.00 0.00 C ATOM 178 O CYS A 14 29.494 -9.631 -21.728 1.00 0.00 O ATOM 179 CB CYS A 14 29.317 -6.484 -22.423 1.00 0.00 C ATOM 180 SG CYS A 14 28.646 -5.043 -23.311 1.00 0.00 S ATOM 0 H CYS A 14 26.874 -6.290 -22.123 1.00 0.00 H new ATOM 0 HA CYS A 14 28.564 -8.119 -23.601 1.00 0.00 H new ATOM 0 HB2 CYS A 14 29.415 -6.255 -21.362 1.00 0.00 H new ATOM 0 HB3 CYS A 14 30.316 -6.717 -22.792 1.00 0.00 H new ATOM 185 N ALA A 15 28.020 -8.650 -20.425 1.00 0.00 N ATOM 186 CA ALA A 15 28.235 -9.634 -19.326 1.00 0.00 C ATOM 187 C ALA A 15 27.876 -11.049 -19.795 1.00 0.00 C ATOM 188 O ALA A 15 28.520 -12.014 -19.434 1.00 0.00 O ATOM 189 CB ALA A 15 27.350 -9.261 -18.136 1.00 0.00 C ATOM 0 H ALA A 15 27.330 -7.926 -20.223 1.00 0.00 H new ATOM 0 HA ALA A 15 29.285 -9.613 -19.035 1.00 0.00 H new ATOM 0 HB1 ALA A 15 27.504 -9.978 -17.329 1.00 0.00 H new ATOM 0 HB2 ALA A 15 27.611 -8.262 -17.788 1.00 0.00 H new ATOM 0 HB3 ALA A 15 26.304 -9.277 -18.441 1.00 0.00 H new ATOM 195 N ALA A 16 26.843 -11.181 -20.579 1.00 0.00 N ATOM 196 CA ALA A 16 26.424 -12.535 -21.051 1.00 0.00 C ATOM 197 C ALA A 16 27.546 -13.203 -21.857 1.00 0.00 C ATOM 198 O ALA A 16 27.485 -14.379 -22.153 1.00 0.00 O ATOM 199 CB ALA A 16 25.183 -12.397 -21.935 1.00 0.00 C ATOM 0 H ALA A 16 26.268 -10.409 -20.915 1.00 0.00 H new ATOM 0 HA ALA A 16 26.203 -13.155 -20.182 1.00 0.00 H new ATOM 0 HB1 ALA A 16 24.872 -13.382 -22.283 1.00 0.00 H new ATOM 0 HB2 ALA A 16 24.375 -11.944 -21.360 1.00 0.00 H new ATOM 0 HB3 ALA A 16 25.416 -11.766 -22.793 1.00 0.00 H new ATOM 205 N CYS A 17 28.563 -12.472 -22.224 1.00 0.00 N ATOM 206 CA CYS A 17 29.669 -13.086 -23.019 1.00 0.00 C ATOM 207 C CYS A 17 31.006 -12.501 -22.592 1.00 0.00 C ATOM 208 O CYS A 17 31.959 -12.495 -23.346 1.00 0.00 O ATOM 209 CB CYS A 17 29.455 -12.788 -24.483 1.00 0.00 C ATOM 210 SG CYS A 17 27.943 -13.616 -25.049 1.00 0.00 S ATOM 0 H CYS A 17 28.678 -11.481 -22.010 1.00 0.00 H new ATOM 0 HA CYS A 17 29.672 -14.163 -22.849 1.00 0.00 H new ATOM 0 HB2 CYS A 17 29.374 -11.712 -24.639 1.00 0.00 H new ATOM 0 HB3 CYS A 17 30.311 -13.131 -25.065 1.00 0.00 H new ATOM 215 N HIS A 18 31.088 -11.998 -21.401 1.00 0.00 N ATOM 216 CA HIS A 18 32.366 -11.403 -20.949 1.00 0.00 C ATOM 217 C HIS A 18 32.402 -11.391 -19.420 1.00 0.00 C ATOM 218 O HIS A 18 33.158 -12.111 -18.801 1.00 0.00 O ATOM 219 CB HIS A 18 32.457 -9.978 -21.497 1.00 0.00 C ATOM 220 CG HIS A 18 32.745 -10.030 -22.960 1.00 0.00 C ATOM 221 ND1 HIS A 18 34.039 -10.100 -23.428 1.00 0.00 N ATOM 222 CD2 HIS A 18 31.937 -10.031 -24.069 1.00 0.00 C ATOM 223 CE1 HIS A 18 33.984 -10.146 -24.762 1.00 0.00 C ATOM 224 NE2 HIS A 18 32.727 -10.109 -25.212 1.00 0.00 N ATOM 0 H HIS A 18 30.328 -11.973 -20.721 1.00 0.00 H new ATOM 0 HA HIS A 18 33.212 -11.986 -21.313 1.00 0.00 H new ATOM 0 HB2 HIS A 18 31.522 -9.447 -21.317 1.00 0.00 H new ATOM 0 HB3 HIS A 18 33.242 -9.426 -20.979 1.00 0.00 H new ATOM 0 HD1 HIS A 18 34.885 -10.114 -22.859 1.00 0.00 H new ATOM 0 HD2 HIS A 18 30.858 -9.979 -24.057 1.00 0.00 H new ATOM 0 HE1 HIS A 18 34.853 -10.206 -25.401 1.00 0.00 H new ATOM 232 N MET A 19 31.578 -10.585 -18.815 1.00 0.00 N ATOM 233 CA MET A 19 31.541 -10.523 -17.324 1.00 0.00 C ATOM 234 C MET A 19 32.941 -10.256 -16.769 1.00 0.00 C ATOM 235 O MET A 19 33.815 -11.099 -16.827 1.00 0.00 O ATOM 236 CB MET A 19 31.023 -11.844 -16.775 1.00 0.00 C ATOM 237 CG MET A 19 29.806 -11.589 -15.882 1.00 0.00 C ATOM 238 SD MET A 19 28.626 -12.949 -16.073 1.00 0.00 S ATOM 239 CE MET A 19 27.196 -12.116 -15.340 1.00 0.00 C ATOM 0 H MET A 19 30.924 -9.962 -19.289 1.00 0.00 H new ATOM 0 HA MET A 19 30.879 -9.712 -17.020 1.00 0.00 H new ATOM 0 HB2 MET A 19 30.752 -12.509 -17.595 1.00 0.00 H new ATOM 0 HB3 MET A 19 31.806 -12.344 -16.205 1.00 0.00 H new ATOM 0 HG2 MET A 19 30.116 -11.505 -14.840 1.00 0.00 H new ATOM 0 HG3 MET A 19 29.335 -10.644 -16.151 1.00 0.00 H new ATOM 0 HE1 MET A 19 26.641 -12.822 -14.722 1.00 0.00 H new ATOM 0 HE2 MET A 19 27.536 -11.284 -14.724 1.00 0.00 H new ATOM 0 HE3 MET A 19 26.548 -11.740 -16.132 1.00 0.00 H new ATOM 249 N GLY A 20 33.162 -9.092 -16.223 1.00 0.00 N ATOM 250 CA GLY A 20 34.506 -8.779 -15.662 1.00 0.00 C ATOM 251 C GLY A 20 35.586 -9.208 -16.656 1.00 0.00 C ATOM 252 O GLY A 20 36.403 -10.062 -16.370 1.00 0.00 O ATOM 0 H GLY A 20 32.472 -8.346 -16.141 1.00 0.00 H new ATOM 0 HA2 GLY A 20 34.587 -7.711 -15.459 1.00 0.00 H new ATOM 0 HA3 GLY A 20 34.645 -9.296 -14.712 1.00 0.00 H new ATOM 256 N GLY A 21 35.596 -8.621 -17.820 1.00 0.00 N ATOM 257 CA GLY A 21 36.617 -8.985 -18.840 1.00 0.00 C ATOM 258 C GLY A 21 36.814 -10.504 -18.861 1.00 0.00 C ATOM 259 O GLY A 21 37.849 -11.009 -18.475 1.00 0.00 O ATOM 0 H GLY A 21 34.936 -7.900 -18.110 1.00 0.00 H new ATOM 0 HA2 GLY A 21 36.301 -8.637 -19.824 1.00 0.00 H new ATOM 0 HA3 GLY A 21 37.562 -8.490 -18.615 1.00 0.00 H new ATOM 263 N GLY A 22 35.830 -11.237 -19.311 1.00 0.00 N ATOM 264 CA GLY A 22 35.969 -12.721 -19.357 1.00 0.00 C ATOM 265 C GLY A 22 35.142 -13.280 -20.516 1.00 0.00 C ATOM 266 O GLY A 22 33.998 -13.655 -20.350 1.00 0.00 O ATOM 0 H GLY A 22 34.939 -10.873 -19.648 1.00 0.00 H new ATOM 0 HA2 GLY A 22 37.017 -12.994 -19.480 1.00 0.00 H new ATOM 0 HA3 GLY A 22 35.635 -13.157 -18.415 1.00 0.00 H new ATOM 270 N ASN A 23 35.712 -13.340 -21.688 1.00 0.00 N ATOM 271 CA ASN A 23 34.963 -13.877 -22.857 1.00 0.00 C ATOM 272 C ASN A 23 34.501 -15.304 -22.555 1.00 0.00 C ATOM 273 O ASN A 23 35.175 -16.054 -21.878 1.00 0.00 O ATOM 274 CB ASN A 23 35.877 -13.885 -24.082 1.00 0.00 C ATOM 275 CG ASN A 23 35.358 -12.888 -25.114 1.00 0.00 C ATOM 276 OD1 ASN A 23 36.029 -11.929 -25.441 1.00 0.00 O ATOM 277 ND2 ASN A 23 34.187 -13.074 -25.648 1.00 0.00 N ATOM 0 H ASN A 23 36.666 -13.039 -21.886 1.00 0.00 H new ATOM 0 HA ASN A 23 34.094 -13.249 -23.054 1.00 0.00 H new ATOM 0 HB2 ASN A 23 36.895 -13.626 -23.791 1.00 0.00 H new ATOM 0 HB3 ASN A 23 35.914 -14.885 -24.514 1.00 0.00 H new ATOM 0 HD21 ASN A 23 33.832 -12.415 -26.341 1.00 0.00 H new ATOM 0 HD22 ASN A 23 33.623 -13.879 -25.374 1.00 0.00 H new ATOM 284 N VAL A 24 33.357 -15.685 -23.052 1.00 0.00 N ATOM 285 CA VAL A 24 32.854 -17.063 -22.792 1.00 0.00 C ATOM 286 C VAL A 24 33.195 -17.965 -23.980 1.00 0.00 C ATOM 287 O VAL A 24 33.598 -19.099 -23.813 1.00 0.00 O ATOM 288 CB VAL A 24 31.336 -17.029 -22.586 1.00 0.00 C ATOM 289 CG1 VAL A 24 31.009 -16.164 -21.367 1.00 0.00 C ATOM 290 CG2 VAL A 24 30.658 -16.440 -23.826 1.00 0.00 C ATOM 0 H VAL A 24 32.749 -15.102 -23.627 1.00 0.00 H new ATOM 0 HA VAL A 24 33.328 -17.457 -21.893 1.00 0.00 H new ATOM 0 HB VAL A 24 30.971 -18.043 -22.425 1.00 0.00 H new ATOM 0 HG11 VAL A 24 29.930 -16.138 -21.218 1.00 0.00 H new ATOM 0 HG12 VAL A 24 31.487 -16.586 -20.483 1.00 0.00 H new ATOM 0 HG13 VAL A 24 31.377 -15.151 -21.530 1.00 0.00 H new ATOM 0 HG21 VAL A 24 29.579 -16.418 -23.675 1.00 0.00 H new ATOM 0 HG22 VAL A 24 31.022 -15.426 -23.993 1.00 0.00 H new ATOM 0 HG23 VAL A 24 30.890 -17.056 -24.695 1.00 0.00 H new ATOM 300 N VAL A 25 33.045 -17.473 -25.179 1.00 0.00 N ATOM 301 CA VAL A 25 33.368 -18.309 -26.365 1.00 0.00 C ATOM 302 C VAL A 25 34.873 -18.233 -26.640 1.00 0.00 C ATOM 303 O VAL A 25 35.570 -19.228 -26.607 1.00 0.00 O ATOM 304 CB VAL A 25 32.596 -17.791 -27.577 1.00 0.00 C ATOM 305 CG1 VAL A 25 32.524 -18.890 -28.638 1.00 0.00 C ATOM 306 CG2 VAL A 25 31.178 -17.403 -27.153 1.00 0.00 C ATOM 0 H VAL A 25 32.714 -16.531 -25.387 1.00 0.00 H new ATOM 0 HA VAL A 25 33.085 -19.344 -26.174 1.00 0.00 H new ATOM 0 HB VAL A 25 33.105 -16.918 -27.986 1.00 0.00 H new ATOM 0 HG11 VAL A 25 31.974 -18.524 -29.505 1.00 0.00 H new ATOM 0 HG12 VAL A 25 33.533 -19.170 -28.941 1.00 0.00 H new ATOM 0 HG13 VAL A 25 32.014 -19.761 -28.226 1.00 0.00 H new ATOM 0 HG21 VAL A 25 30.628 -17.033 -28.018 1.00 0.00 H new ATOM 0 HG22 VAL A 25 30.669 -18.276 -26.745 1.00 0.00 H new ATOM 0 HG23 VAL A 25 31.226 -16.623 -26.393 1.00 0.00 H new ATOM 316 N MET A 26 35.379 -17.061 -26.907 1.00 0.00 N ATOM 317 CA MET A 26 36.836 -16.922 -27.180 1.00 0.00 C ATOM 318 C MET A 26 37.587 -16.741 -25.859 1.00 0.00 C ATOM 319 O MET A 26 37.780 -15.638 -25.390 1.00 0.00 O ATOM 320 CB MET A 26 37.072 -15.701 -28.069 1.00 0.00 C ATOM 321 CG MET A 26 37.015 -16.127 -29.535 1.00 0.00 C ATOM 322 SD MET A 26 35.335 -16.652 -29.947 1.00 0.00 S ATOM 323 CE MET A 26 35.691 -17.270 -31.610 1.00 0.00 C ATOM 0 H MET A 26 34.845 -16.193 -26.948 1.00 0.00 H new ATOM 0 HA MET A 26 37.198 -17.817 -27.685 1.00 0.00 H new ATOM 0 HB2 MET A 26 36.317 -14.940 -27.870 1.00 0.00 H new ATOM 0 HB3 MET A 26 38.041 -15.255 -27.845 1.00 0.00 H new ATOM 0 HG2 MET A 26 37.316 -15.299 -30.177 1.00 0.00 H new ATOM 0 HG3 MET A 26 37.716 -16.942 -29.715 1.00 0.00 H new ATOM 0 HE1 MET A 26 34.774 -17.651 -32.061 1.00 0.00 H new ATOM 0 HE2 MET A 26 36.087 -16.460 -32.222 1.00 0.00 H new ATOM 0 HE3 MET A 26 36.426 -18.072 -31.550 1.00 0.00 H new ATOM 333 N ALA A 27 38.011 -17.818 -25.256 1.00 0.00 N ATOM 334 CA ALA A 27 38.748 -17.708 -23.967 1.00 0.00 C ATOM 335 C ALA A 27 40.054 -16.940 -24.183 1.00 0.00 C ATOM 336 O ALA A 27 40.548 -16.276 -23.295 1.00 0.00 O ATOM 337 CB ALA A 27 39.063 -19.110 -23.440 1.00 0.00 C ATOM 0 H ALA A 27 37.879 -18.769 -25.601 1.00 0.00 H new ATOM 0 HA ALA A 27 38.132 -17.175 -23.243 1.00 0.00 H new ATOM 0 HB1 ALA A 27 39.603 -19.031 -22.496 1.00 0.00 H new ATOM 0 HB2 ALA A 27 38.133 -19.657 -23.282 1.00 0.00 H new ATOM 0 HB3 ALA A 27 39.678 -19.642 -24.166 1.00 0.00 H new ATOM 343 N ASN A 28 40.621 -17.028 -25.356 1.00 0.00 N ATOM 344 CA ASN A 28 41.890 -16.308 -25.622 1.00 0.00 C ATOM 345 C ASN A 28 41.605 -14.813 -25.776 1.00 0.00 C ATOM 346 O ASN A 28 42.355 -13.974 -25.317 1.00 0.00 O ATOM 347 CB ASN A 28 42.535 -16.858 -26.903 1.00 0.00 C ATOM 348 CG ASN A 28 41.885 -16.223 -28.137 1.00 0.00 C ATOM 349 OD1 ASN A 28 42.485 -15.396 -28.796 1.00 0.00 O ATOM 350 ND2 ASN A 28 40.676 -16.575 -28.479 1.00 0.00 N ATOM 0 H ASN A 28 40.256 -17.569 -26.140 1.00 0.00 H new ATOM 0 HA ASN A 28 42.577 -16.456 -24.788 1.00 0.00 H new ATOM 0 HB2 ASN A 28 43.605 -16.650 -26.899 1.00 0.00 H new ATOM 0 HB3 ASN A 28 42.421 -17.941 -26.940 1.00 0.00 H new ATOM 0 HD21 ASN A 28 40.235 -16.156 -29.298 1.00 0.00 H new ATOM 0 HD22 ASN A 28 40.171 -17.269 -27.927 1.00 0.00 H new ATOM 357 N LYS A 29 40.524 -14.476 -26.423 1.00 0.00 N ATOM 358 CA LYS A 29 40.182 -13.041 -26.615 1.00 0.00 C ATOM 359 C LYS A 29 39.307 -12.567 -25.454 1.00 0.00 C ATOM 360 O LYS A 29 38.146 -12.912 -25.359 1.00 0.00 O ATOM 361 CB LYS A 29 39.419 -12.879 -27.930 1.00 0.00 C ATOM 362 CG LYS A 29 40.082 -11.789 -28.774 1.00 0.00 C ATOM 363 CD LYS A 29 40.463 -12.365 -30.139 1.00 0.00 C ATOM 364 CE LYS A 29 41.310 -11.349 -30.906 1.00 0.00 C ATOM 365 NZ LYS A 29 41.146 -11.572 -32.370 1.00 0.00 N ATOM 0 H LYS A 29 39.861 -15.136 -26.828 1.00 0.00 H new ATOM 0 HA LYS A 29 41.095 -12.446 -26.646 1.00 0.00 H new ATOM 0 HB2 LYS A 29 39.411 -13.822 -28.476 1.00 0.00 H new ATOM 0 HB3 LYS A 29 38.380 -12.617 -27.730 1.00 0.00 H new ATOM 0 HG2 LYS A 29 39.402 -10.947 -28.899 1.00 0.00 H new ATOM 0 HG3 LYS A 29 40.969 -11.410 -28.267 1.00 0.00 H new ATOM 0 HD2 LYS A 29 41.019 -13.294 -30.011 1.00 0.00 H new ATOM 0 HD3 LYS A 29 39.564 -12.607 -30.707 1.00 0.00 H new ATOM 0 HE2 LYS A 29 41.006 -10.335 -30.645 1.00 0.00 H new ATOM 0 HE3 LYS A 29 42.359 -11.449 -30.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 41.722 -10.882 -32.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 41.456 -12.535 -32.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 40.146 -11.455 -32.629 1.00 0.00 H new ATOM 379 N THR A 30 39.852 -11.783 -24.565 1.00 0.00 N ATOM 380 CA THR A 30 39.049 -11.297 -23.411 1.00 0.00 C ATOM 381 C THR A 30 39.127 -9.770 -23.339 1.00 0.00 C ATOM 382 O THR A 30 39.849 -9.141 -24.087 1.00 0.00 O ATOM 383 CB THR A 30 39.622 -11.896 -22.129 1.00 0.00 C ATOM 384 OG1 THR A 30 39.870 -13.286 -22.318 1.00 0.00 O ATOM 385 CG2 THR A 30 38.630 -11.705 -20.980 1.00 0.00 C ATOM 0 H THR A 30 40.819 -11.459 -24.589 1.00 0.00 H new ATOM 0 HA THR A 30 38.008 -11.597 -23.531 1.00 0.00 H new ATOM 0 HB THR A 30 40.557 -11.391 -21.885 1.00 0.00 H new ATOM 0 HG1 THR A 30 40.239 -13.667 -21.494 1.00 0.00 H new ATOM 0 HG21 THR A 30 39.043 -12.134 -20.067 1.00 0.00 H new ATOM 0 HG22 THR A 30 38.447 -10.641 -20.830 1.00 0.00 H new ATOM 0 HG23 THR A 30 37.692 -12.204 -21.223 1.00 0.00 H new ATOM 393 N LEU A 31 38.392 -9.167 -22.442 1.00 0.00 N ATOM 394 CA LEU A 31 38.429 -7.681 -22.327 1.00 0.00 C ATOM 395 C LEU A 31 39.417 -7.276 -21.235 1.00 0.00 C ATOM 396 O LEU A 31 39.701 -6.110 -21.063 1.00 0.00 O ATOM 397 CB LEU A 31 37.049 -7.143 -21.962 1.00 0.00 C ATOM 398 CG LEU A 31 35.957 -8.078 -22.494 1.00 0.00 C ATOM 399 CD1 LEU A 31 34.623 -7.332 -22.532 1.00 0.00 C ATOM 400 CD2 LEU A 31 36.301 -8.538 -23.914 1.00 0.00 C ATOM 0 H LEU A 31 37.769 -9.639 -21.786 1.00 0.00 H new ATOM 0 HA LEU A 31 38.738 -7.267 -23.287 1.00 0.00 H new ATOM 0 HB2 LEU A 31 36.962 -7.050 -20.879 1.00 0.00 H new ATOM 0 HB3 LEU A 31 36.918 -6.145 -22.380 1.00 0.00 H new ATOM 0 HG LEU A 31 35.887 -8.945 -21.837 1.00 0.00 H new ATOM 0 HD11 LEU A 31 33.846 -7.996 -22.910 1.00 0.00 H new ATOM 0 HD12 LEU A 31 34.361 -7.003 -21.526 1.00 0.00 H new ATOM 0 HD13 LEU A 31 34.710 -6.465 -23.187 1.00 0.00 H new ATOM 0 HD21 LEU A 31 35.518 -9.202 -24.281 1.00 0.00 H new ATOM 0 HD22 LEU A 31 36.378 -7.670 -24.569 1.00 0.00 H new ATOM 0 HD23 LEU A 31 37.252 -9.070 -23.904 1.00 0.00 H new ATOM 412 N LYS A 32 39.915 -8.229 -20.479 1.00 0.00 N ATOM 413 CA LYS A 32 40.862 -7.893 -19.371 1.00 0.00 C ATOM 414 C LYS A 32 41.745 -6.706 -19.760 1.00 0.00 C ATOM 415 O LYS A 32 41.390 -5.568 -19.530 1.00 0.00 O ATOM 416 CB LYS A 32 41.754 -9.090 -18.996 1.00 0.00 C ATOM 417 CG LYS A 32 41.905 -10.074 -20.159 1.00 0.00 C ATOM 418 CD LYS A 32 41.425 -11.453 -19.701 1.00 0.00 C ATOM 419 CE LYS A 32 42.281 -11.923 -18.522 1.00 0.00 C ATOM 420 NZ LYS A 32 42.468 -13.401 -18.600 1.00 0.00 N ATOM 0 H LYS A 32 39.706 -9.222 -20.583 1.00 0.00 H new ATOM 0 HA LYS A 32 40.257 -7.631 -18.503 1.00 0.00 H new ATOM 0 HB2 LYS A 32 42.738 -8.730 -18.695 1.00 0.00 H new ATOM 0 HB3 LYS A 32 41.327 -9.606 -18.136 1.00 0.00 H new ATOM 0 HG2 LYS A 32 41.323 -9.737 -21.017 1.00 0.00 H new ATOM 0 HG3 LYS A 32 42.946 -10.123 -20.479 1.00 0.00 H new ATOM 0 HD2 LYS A 32 40.376 -11.406 -19.408 1.00 0.00 H new ATOM 0 HD3 LYS A 32 41.495 -12.166 -20.523 1.00 0.00 H new ATOM 0 HE2 LYS A 32 43.249 -11.422 -18.539 1.00 0.00 H new ATOM 0 HE3 LYS A 32 41.800 -11.656 -17.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 43.050 -13.720 -17.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 41.541 -13.871 -18.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 42.944 -13.644 -19.492 1.00 0.00 H new ATOM 434 N LYS A 33 42.887 -6.945 -20.345 1.00 0.00 N ATOM 435 CA LYS A 33 43.757 -5.797 -20.729 1.00 0.00 C ATOM 436 C LYS A 33 45.024 -6.293 -21.433 1.00 0.00 C ATOM 437 O LYS A 33 45.595 -5.602 -22.253 1.00 0.00 O ATOM 438 CB LYS A 33 44.159 -5.030 -19.469 1.00 0.00 C ATOM 439 CG LYS A 33 45.141 -3.918 -19.840 1.00 0.00 C ATOM 440 CD LYS A 33 45.840 -3.414 -18.577 1.00 0.00 C ATOM 441 CE LYS A 33 47.090 -4.259 -18.319 1.00 0.00 C ATOM 442 NZ LYS A 33 48.221 -3.734 -19.135 1.00 0.00 N ATOM 0 H LYS A 33 43.251 -7.870 -20.571 1.00 0.00 H new ATOM 0 HA LYS A 33 43.203 -5.150 -21.409 1.00 0.00 H new ATOM 0 HB2 LYS A 33 43.276 -4.605 -18.992 1.00 0.00 H new ATOM 0 HB3 LYS A 33 44.616 -5.708 -18.748 1.00 0.00 H new ATOM 0 HG2 LYS A 33 45.877 -4.291 -20.552 1.00 0.00 H new ATOM 0 HG3 LYS A 33 44.612 -3.099 -20.328 1.00 0.00 H new ATOM 0 HD2 LYS A 33 46.114 -2.365 -18.693 1.00 0.00 H new ATOM 0 HD3 LYS A 33 45.164 -3.475 -17.724 1.00 0.00 H new ATOM 0 HE2 LYS A 33 47.348 -4.232 -17.260 1.00 0.00 H new ATOM 0 HE3 LYS A 33 46.897 -5.301 -18.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 49.071 -4.308 -18.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 47.973 -3.781 -20.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 48.410 -2.746 -18.871 1.00 0.00 H new ATOM 456 N GLU A 34 45.488 -7.463 -21.100 1.00 0.00 N ATOM 457 CA GLU A 34 46.735 -7.968 -21.725 1.00 0.00 C ATOM 458 C GLU A 34 46.473 -8.548 -23.123 1.00 0.00 C ATOM 459 O GLU A 34 47.123 -8.176 -24.078 1.00 0.00 O ATOM 460 CB GLU A 34 47.368 -9.041 -20.831 1.00 0.00 C ATOM 461 CG GLU A 34 46.294 -9.985 -20.280 1.00 0.00 C ATOM 462 CD GLU A 34 46.651 -11.428 -20.643 1.00 0.00 C ATOM 463 OE1 GLU A 34 46.503 -11.780 -21.803 1.00 0.00 O ATOM 464 OE2 GLU A 34 47.066 -12.156 -19.757 1.00 0.00 O ATOM 0 H GLU A 34 45.056 -8.090 -20.422 1.00 0.00 H new ATOM 0 HA GLU A 34 47.419 -7.126 -21.833 1.00 0.00 H new ATOM 0 HB2 GLU A 34 48.103 -9.610 -21.401 1.00 0.00 H new ATOM 0 HB3 GLU A 34 47.901 -8.567 -20.007 1.00 0.00 H new ATOM 0 HG2 GLU A 34 46.221 -9.878 -19.198 1.00 0.00 H new ATOM 0 HG3 GLU A 34 45.319 -9.725 -20.693 1.00 0.00 H new ATOM 471 N ALA A 35 45.551 -9.463 -23.254 1.00 0.00 N ATOM 472 CA ALA A 35 45.287 -10.070 -24.584 1.00 0.00 C ATOM 473 C ALA A 35 44.683 -9.042 -25.529 1.00 0.00 C ATOM 474 O ALA A 35 45.175 -8.834 -26.619 1.00 0.00 O ATOM 475 CB ALA A 35 44.320 -11.245 -24.426 1.00 0.00 C ATOM 0 H ALA A 35 44.969 -9.815 -22.494 1.00 0.00 H new ATOM 0 HA ALA A 35 46.231 -10.421 -25.002 1.00 0.00 H new ATOM 0 HB1 ALA A 35 44.126 -11.690 -25.402 1.00 0.00 H new ATOM 0 HB2 ALA A 35 44.761 -11.993 -23.767 1.00 0.00 H new ATOM 0 HB3 ALA A 35 43.383 -10.890 -23.997 1.00 0.00 H new ATOM 481 N LEU A 36 43.619 -8.406 -25.138 1.00 0.00 N ATOM 482 CA LEU A 36 42.994 -7.406 -26.049 1.00 0.00 C ATOM 483 C LEU A 36 44.078 -6.525 -26.661 1.00 0.00 C ATOM 484 O LEU A 36 43.896 -5.942 -27.709 1.00 0.00 O ATOM 485 CB LEU A 36 42.005 -6.534 -25.281 1.00 0.00 C ATOM 486 CG LEU A 36 42.612 -6.144 -23.942 1.00 0.00 C ATOM 487 CD1 LEU A 36 42.232 -4.701 -23.611 1.00 0.00 C ATOM 488 CD2 LEU A 36 42.065 -7.074 -22.861 1.00 0.00 C ATOM 0 H LEU A 36 43.157 -8.531 -24.237 1.00 0.00 H new ATOM 0 HA LEU A 36 42.460 -7.935 -26.839 1.00 0.00 H new ATOM 0 HB2 LEU A 36 41.765 -5.641 -25.858 1.00 0.00 H new ATOM 0 HB3 LEU A 36 41.071 -7.074 -25.126 1.00 0.00 H new ATOM 0 HG LEU A 36 43.698 -6.229 -23.989 1.00 0.00 H new ATOM 0 HD11 LEU A 36 42.667 -4.421 -22.651 1.00 0.00 H new ATOM 0 HD12 LEU A 36 42.611 -4.038 -24.388 1.00 0.00 H new ATOM 0 HD13 LEU A 36 41.147 -4.614 -23.557 1.00 0.00 H new ATOM 0 HD21 LEU A 36 42.494 -6.803 -21.896 1.00 0.00 H new ATOM 0 HD22 LEU A 36 40.980 -6.980 -22.815 1.00 0.00 H new ATOM 0 HD23 LEU A 36 42.330 -8.104 -23.099 1.00 0.00 H new ATOM 500 N GLU A 37 45.203 -6.412 -26.017 1.00 0.00 N ATOM 501 CA GLU A 37 46.273 -5.564 -26.571 1.00 0.00 C ATOM 502 C GLU A 37 47.257 -6.412 -27.382 1.00 0.00 C ATOM 503 O GLU A 37 47.805 -5.959 -28.367 1.00 0.00 O ATOM 504 CB GLU A 37 46.984 -4.846 -25.433 1.00 0.00 C ATOM 505 CG GLU A 37 45.966 -3.947 -24.736 1.00 0.00 C ATOM 506 CD GLU A 37 46.535 -3.458 -23.403 1.00 0.00 C ATOM 507 OE1 GLU A 37 47.669 -3.795 -23.108 1.00 0.00 O ATOM 508 OE2 GLU A 37 45.828 -2.751 -22.704 1.00 0.00 O ATOM 0 H GLU A 37 45.421 -6.872 -25.133 1.00 0.00 H new ATOM 0 HA GLU A 37 45.840 -4.822 -27.242 1.00 0.00 H new ATOM 0 HB2 GLU A 37 47.402 -5.566 -24.729 1.00 0.00 H new ATOM 0 HB3 GLU A 37 47.816 -4.255 -25.816 1.00 0.00 H new ATOM 0 HG2 GLU A 37 45.723 -3.096 -25.372 1.00 0.00 H new ATOM 0 HG3 GLU A 37 45.039 -4.494 -24.567 1.00 0.00 H new ATOM 515 N GLN A 38 47.476 -7.647 -27.003 1.00 0.00 N ATOM 516 CA GLN A 38 48.405 -8.493 -27.794 1.00 0.00 C ATOM 517 C GLN A 38 47.948 -8.423 -29.239 1.00 0.00 C ATOM 518 O GLN A 38 48.737 -8.326 -30.158 1.00 0.00 O ATOM 519 CB GLN A 38 48.353 -9.947 -27.316 1.00 0.00 C ATOM 520 CG GLN A 38 48.744 -10.022 -25.841 1.00 0.00 C ATOM 521 CD GLN A 38 49.966 -9.136 -25.582 1.00 0.00 C ATOM 522 OE1 GLN A 38 50.924 -9.090 -26.468 1.00 0.00 O flip ATOM 523 NE2 GLN A 38 50.050 -8.480 -24.563 1.00 0.00 N flip ATOM 0 H GLN A 38 47.055 -8.096 -26.190 1.00 0.00 H new ATOM 0 HA GLN A 38 49.429 -8.138 -27.679 1.00 0.00 H new ATOM 0 HB2 GLN A 38 47.350 -10.350 -27.457 1.00 0.00 H new ATOM 0 HB3 GLN A 38 49.029 -10.560 -27.912 1.00 0.00 H new ATOM 0 HG2 GLN A 38 47.910 -9.699 -25.218 1.00 0.00 H new ATOM 0 HG3 GLN A 38 48.966 -11.053 -25.566 1.00 0.00 H new ATOM 0 HE21 GLN A 38 49.302 -8.515 -23.870 1.00 0.00 H new ATOM 0 HE22 GLN A 38 50.869 -7.894 -24.400 1.00 0.00 H new ATOM 532 N PHE A 39 46.661 -8.435 -29.434 1.00 0.00 N ATOM 533 CA PHE A 39 46.121 -8.330 -30.807 1.00 0.00 C ATOM 534 C PHE A 39 45.984 -6.847 -31.167 1.00 0.00 C ATOM 535 O PHE A 39 46.399 -6.411 -32.222 1.00 0.00 O ATOM 536 CB PHE A 39 44.743 -8.990 -30.917 1.00 0.00 C ATOM 537 CG PHE A 39 44.446 -9.854 -29.717 1.00 0.00 C ATOM 538 CD1 PHE A 39 45.011 -11.129 -29.600 1.00 0.00 C ATOM 539 CD2 PHE A 39 43.579 -9.379 -28.731 1.00 0.00 C ATOM 540 CE1 PHE A 39 44.704 -11.928 -28.490 1.00 0.00 C ATOM 541 CE2 PHE A 39 43.273 -10.172 -27.622 1.00 0.00 C ATOM 542 CZ PHE A 39 43.835 -11.449 -27.500 1.00 0.00 C ATOM 0 H PHE A 39 45.961 -8.513 -28.696 1.00 0.00 H new ATOM 0 HA PHE A 39 46.804 -8.840 -31.487 1.00 0.00 H new ATOM 0 HB2 PHE A 39 43.977 -8.221 -31.011 1.00 0.00 H new ATOM 0 HB3 PHE A 39 44.700 -9.596 -31.822 1.00 0.00 H new ATOM 0 HD1 PHE A 39 45.682 -11.496 -30.363 1.00 0.00 H new ATOM 0 HD2 PHE A 39 43.143 -8.395 -28.826 1.00 0.00 H new ATOM 0 HE1 PHE A 39 45.137 -12.913 -28.398 1.00 0.00 H new ATOM 0 HE2 PHE A 39 42.604 -9.801 -26.860 1.00 0.00 H new ATOM 0 HZ PHE A 39 43.599 -12.064 -26.644 1.00 0.00 H new ATOM 552 N GLY A 40 45.404 -6.066 -30.290 1.00 0.00 N ATOM 553 CA GLY A 40 45.240 -4.610 -30.572 1.00 0.00 C ATOM 554 C GLY A 40 43.769 -4.215 -30.432 1.00 0.00 C ATOM 555 O GLY A 40 43.377 -3.113 -30.762 1.00 0.00 O ATOM 0 H GLY A 40 45.037 -6.376 -29.390 1.00 0.00 H new ATOM 0 HA2 GLY A 40 45.850 -4.026 -29.882 1.00 0.00 H new ATOM 0 HA3 GLY A 40 45.592 -4.384 -31.578 1.00 0.00 H new ATOM 559 N MET A 41 42.951 -5.106 -29.946 1.00 0.00 N ATOM 560 CA MET A 41 41.503 -4.791 -29.782 1.00 0.00 C ATOM 561 C MET A 41 41.284 -3.989 -28.494 1.00 0.00 C ATOM 562 O MET A 41 40.170 -3.818 -28.041 1.00 0.00 O ATOM 563 CB MET A 41 40.721 -6.103 -29.700 1.00 0.00 C ATOM 564 CG MET A 41 40.895 -6.725 -28.309 1.00 0.00 C ATOM 565 SD MET A 41 40.707 -8.523 -28.436 1.00 0.00 S ATOM 566 CE MET A 41 40.059 -8.802 -26.770 1.00 0.00 C ATOM 0 H MET A 41 43.224 -6.044 -29.654 1.00 0.00 H new ATOM 0 HA MET A 41 41.160 -4.200 -30.631 1.00 0.00 H new ATOM 0 HB2 MET A 41 39.665 -5.920 -29.897 1.00 0.00 H new ATOM 0 HB3 MET A 41 41.073 -6.795 -30.465 1.00 0.00 H new ATOM 0 HG2 MET A 41 41.877 -6.477 -27.906 1.00 0.00 H new ATOM 0 HG3 MET A 41 40.156 -6.317 -27.620 1.00 0.00 H new ATOM 0 HE1 MET A 41 39.291 -9.575 -26.803 1.00 0.00 H new ATOM 0 HE2 MET A 41 40.868 -9.122 -26.114 1.00 0.00 H new ATOM 0 HE3 MET A 41 39.626 -7.877 -26.388 1.00 0.00 H new ATOM 576 N TYR A 42 42.335 -3.512 -27.894 1.00 0.00 N ATOM 577 CA TYR A 42 42.184 -2.741 -26.627 1.00 0.00 C ATOM 578 C TYR A 42 41.888 -1.270 -26.942 1.00 0.00 C ATOM 579 O TYR A 42 41.950 -0.414 -26.082 1.00 0.00 O ATOM 580 CB TYR A 42 43.484 -2.873 -25.833 1.00 0.00 C ATOM 581 CG TYR A 42 43.525 -1.872 -24.700 1.00 0.00 C ATOM 582 CD1 TYR A 42 42.478 -1.810 -23.773 1.00 0.00 C ATOM 583 CD2 TYR A 42 44.623 -1.012 -24.573 1.00 0.00 C ATOM 584 CE1 TYR A 42 42.530 -0.889 -22.721 1.00 0.00 C ATOM 585 CE2 TYR A 42 44.674 -0.091 -23.519 1.00 0.00 C ATOM 586 CZ TYR A 42 43.628 -0.031 -22.593 1.00 0.00 C ATOM 587 OH TYR A 42 43.678 0.877 -21.554 1.00 0.00 O ATOM 0 H TYR A 42 43.294 -3.621 -28.224 1.00 0.00 H new ATOM 0 HA TYR A 42 41.353 -3.131 -26.040 1.00 0.00 H new ATOM 0 HB2 TYR A 42 43.571 -3.884 -25.435 1.00 0.00 H new ATOM 0 HB3 TYR A 42 44.337 -2.716 -26.494 1.00 0.00 H new ATOM 0 HD1 TYR A 42 41.631 -2.473 -23.870 1.00 0.00 H new ATOM 0 HD2 TYR A 42 45.431 -1.059 -25.288 1.00 0.00 H new ATOM 0 HE1 TYR A 42 41.721 -0.840 -22.007 1.00 0.00 H new ATOM 0 HE2 TYR A 42 45.521 0.572 -23.422 1.00 0.00 H new ATOM 0 HH TYR A 42 44.508 1.394 -21.611 1.00 0.00 H new ATOM 597 N SER A 43 41.574 -0.969 -28.173 1.00 0.00 N ATOM 598 CA SER A 43 41.286 0.447 -28.546 1.00 0.00 C ATOM 599 C SER A 43 39.779 0.649 -28.739 1.00 0.00 C ATOM 600 O SER A 43 39.068 -0.249 -29.143 1.00 0.00 O ATOM 601 CB SER A 43 42.008 0.775 -29.855 1.00 0.00 C ATOM 602 OG SER A 43 41.129 0.553 -30.948 1.00 0.00 O ATOM 0 H SER A 43 41.504 -1.642 -28.937 1.00 0.00 H new ATOM 0 HA SER A 43 41.633 1.104 -27.749 1.00 0.00 H new ATOM 0 HB2 SER A 43 42.343 1.812 -29.848 1.00 0.00 H new ATOM 0 HB3 SER A 43 42.898 0.154 -29.958 1.00 0.00 H new ATOM 0 HG SER A 43 41.590 0.764 -31.787 1.00 0.00 H new ATOM 608 N GLU A 44 39.291 1.830 -28.460 1.00 0.00 N ATOM 609 CA GLU A 44 37.839 2.106 -28.633 1.00 0.00 C ATOM 610 C GLU A 44 37.417 1.757 -30.056 1.00 0.00 C ATOM 611 O GLU A 44 36.533 0.967 -30.262 1.00 0.00 O ATOM 612 CB GLU A 44 37.564 3.587 -28.365 1.00 0.00 C ATOM 613 CG GLU A 44 36.295 3.725 -27.520 1.00 0.00 C ATOM 614 CD GLU A 44 35.820 5.179 -27.540 1.00 0.00 C ATOM 615 OE1 GLU A 44 36.666 6.057 -27.585 1.00 0.00 O ATOM 616 OE2 GLU A 44 34.620 5.390 -27.508 1.00 0.00 O ATOM 0 H GLU A 44 39.841 2.618 -28.118 1.00 0.00 H new ATOM 0 HA GLU A 44 37.270 1.499 -27.929 1.00 0.00 H new ATOM 0 HB2 GLU A 44 38.410 4.037 -27.846 1.00 0.00 H new ATOM 0 HB3 GLU A 44 37.447 4.122 -29.307 1.00 0.00 H new ATOM 0 HG2 GLU A 44 35.514 3.072 -27.909 1.00 0.00 H new ATOM 0 HG3 GLU A 44 36.492 3.411 -26.495 1.00 0.00 H new ATOM 623 N ASP A 45 38.026 2.341 -31.043 1.00 0.00 N ATOM 624 CA ASP A 45 37.625 2.029 -32.438 1.00 0.00 C ATOM 625 C ASP A 45 37.621 0.511 -32.664 1.00 0.00 C ATOM 626 O ASP A 45 36.956 0.010 -33.549 1.00 0.00 O ATOM 627 CB ASP A 45 38.598 2.690 -33.397 1.00 0.00 C ATOM 628 CG ASP A 45 38.020 2.669 -34.814 1.00 0.00 C ATOM 629 OD1 ASP A 45 37.544 1.623 -35.224 1.00 0.00 O ATOM 630 OD2 ASP A 45 38.062 3.700 -35.464 1.00 0.00 O ATOM 0 H ASP A 45 38.782 3.019 -30.946 1.00 0.00 H new ATOM 0 HA ASP A 45 36.619 2.409 -32.616 1.00 0.00 H new ATOM 0 HB2 ASP A 45 38.788 3.717 -33.087 1.00 0.00 H new ATOM 0 HB3 ASP A 45 39.555 2.168 -33.376 1.00 0.00 H new ATOM 635 N ALA A 46 38.359 -0.222 -31.876 1.00 0.00 N ATOM 636 CA ALA A 46 38.401 -1.707 -32.050 1.00 0.00 C ATOM 637 C ALA A 46 37.133 -2.339 -31.484 1.00 0.00 C ATOM 638 O ALA A 46 36.246 -2.744 -32.208 1.00 0.00 O ATOM 639 CB ALA A 46 39.618 -2.266 -31.312 1.00 0.00 C ATOM 0 H ALA A 46 38.936 0.141 -31.118 1.00 0.00 H new ATOM 0 HA ALA A 46 38.470 -1.940 -33.112 1.00 0.00 H new ATOM 0 HB1 ALA A 46 39.653 -3.348 -31.436 1.00 0.00 H new ATOM 0 HB2 ALA A 46 40.526 -1.824 -31.722 1.00 0.00 H new ATOM 0 HB3 ALA A 46 39.543 -2.024 -30.252 1.00 0.00 H new ATOM 645 N ILE A 47 37.053 -2.434 -30.194 1.00 0.00 N ATOM 646 CA ILE A 47 35.861 -3.043 -29.548 1.00 0.00 C ATOM 647 C ILE A 47 34.603 -2.285 -29.961 1.00 0.00 C ATOM 648 O ILE A 47 33.498 -2.764 -29.826 1.00 0.00 O ATOM 649 CB ILE A 47 36.061 -2.956 -28.046 1.00 0.00 C ATOM 650 CG1 ILE A 47 34.893 -3.598 -27.307 1.00 0.00 C ATOM 651 CG2 ILE A 47 36.156 -1.497 -27.618 1.00 0.00 C ATOM 652 CD1 ILE A 47 35.097 -3.386 -25.806 1.00 0.00 C ATOM 0 H ILE A 47 37.773 -2.111 -29.547 1.00 0.00 H new ATOM 0 HA ILE A 47 35.743 -4.082 -29.855 1.00 0.00 H new ATOM 0 HB ILE A 47 36.982 -3.484 -27.799 1.00 0.00 H new ATOM 0 HG12 ILE A 47 33.951 -3.154 -27.628 1.00 0.00 H new ATOM 0 HG13 ILE A 47 34.838 -4.662 -27.536 1.00 0.00 H new ATOM 0 HG21 ILE A 47 36.299 -1.443 -26.539 1.00 0.00 H new ATOM 0 HG22 ILE A 47 37.000 -1.025 -28.120 1.00 0.00 H new ATOM 0 HG23 ILE A 47 35.236 -0.978 -27.888 1.00 0.00 H new ATOM 0 HD11 ILE A 47 34.270 -3.839 -25.259 1.00 0.00 H new ATOM 0 HD12 ILE A 47 36.034 -3.850 -25.497 1.00 0.00 H new ATOM 0 HD13 ILE A 47 35.133 -2.318 -25.591 1.00 0.00 H new ATOM 664 N ILE A 48 34.773 -1.109 -30.478 1.00 0.00 N ATOM 665 CA ILE A 48 33.603 -0.304 -30.922 1.00 0.00 C ATOM 666 C ILE A 48 33.033 -0.941 -32.195 1.00 0.00 C ATOM 667 O ILE A 48 31.835 -1.028 -32.378 1.00 0.00 O ATOM 668 CB ILE A 48 34.056 1.138 -31.195 1.00 0.00 C ATOM 669 CG1 ILE A 48 34.150 1.905 -29.874 1.00 0.00 C ATOM 670 CG2 ILE A 48 33.051 1.845 -32.094 1.00 0.00 C ATOM 671 CD1 ILE A 48 34.649 3.327 -30.144 1.00 0.00 C ATOM 0 H ILE A 48 35.680 -0.663 -30.615 1.00 0.00 H new ATOM 0 HA ILE A 48 32.832 -0.285 -30.151 1.00 0.00 H new ATOM 0 HB ILE A 48 35.029 1.109 -31.685 1.00 0.00 H new ATOM 0 HG12 ILE A 48 33.174 1.936 -29.389 1.00 0.00 H new ATOM 0 HG13 ILE A 48 34.829 1.393 -29.192 1.00 0.00 H new ATOM 0 HG21 ILE A 48 33.384 2.866 -32.280 1.00 0.00 H new ATOM 0 HG22 ILE A 48 32.972 1.311 -33.041 1.00 0.00 H new ATOM 0 HG23 ILE A 48 32.077 1.864 -31.606 1.00 0.00 H new ATOM 0 HD11 ILE A 48 34.716 3.874 -29.203 1.00 0.00 H new ATOM 0 HD12 ILE A 48 35.633 3.285 -30.610 1.00 0.00 H new ATOM 0 HD13 ILE A 48 33.953 3.836 -30.811 1.00 0.00 H new ATOM 683 N TYR A 49 33.889 -1.408 -33.064 1.00 0.00 N ATOM 684 CA TYR A 49 33.415 -2.066 -34.315 1.00 0.00 C ATOM 685 C TYR A 49 33.160 -3.547 -34.028 1.00 0.00 C ATOM 686 O TYR A 49 32.496 -4.236 -34.774 1.00 0.00 O ATOM 687 CB TYR A 49 34.488 -1.939 -35.394 1.00 0.00 C ATOM 688 CG TYR A 49 34.019 -2.657 -36.632 1.00 0.00 C ATOM 689 CD1 TYR A 49 34.143 -4.047 -36.723 1.00 0.00 C ATOM 690 CD2 TYR A 49 33.454 -1.933 -37.685 1.00 0.00 C ATOM 691 CE1 TYR A 49 33.703 -4.713 -37.872 1.00 0.00 C ATOM 692 CE2 TYR A 49 33.014 -2.598 -38.833 1.00 0.00 C ATOM 693 CZ TYR A 49 33.138 -3.989 -38.928 1.00 0.00 C ATOM 694 OH TYR A 49 32.706 -4.646 -40.063 1.00 0.00 O ATOM 0 H TYR A 49 34.903 -1.361 -32.960 1.00 0.00 H new ATOM 0 HA TYR A 49 32.497 -1.589 -34.659 1.00 0.00 H new ATOM 0 HB2 TYR A 49 34.678 -0.889 -35.616 1.00 0.00 H new ATOM 0 HB3 TYR A 49 35.428 -2.366 -35.044 1.00 0.00 H new ATOM 0 HD1 TYR A 49 34.578 -4.606 -35.907 1.00 0.00 H new ATOM 0 HD2 TYR A 49 33.357 -0.860 -37.612 1.00 0.00 H new ATOM 0 HE1 TYR A 49 33.799 -5.786 -37.944 1.00 0.00 H new ATOM 0 HE2 TYR A 49 32.578 -2.038 -39.647 1.00 0.00 H new ATOM 0 HH TYR A 49 32.339 -3.996 -40.698 1.00 0.00 H new ATOM 704 N GLN A 50 33.690 -4.039 -32.945 1.00 0.00 N ATOM 705 CA GLN A 50 33.491 -5.470 -32.586 1.00 0.00 C ATOM 706 C GLN A 50 32.186 -5.600 -31.795 1.00 0.00 C ATOM 707 O GLN A 50 31.611 -6.663 -31.695 1.00 0.00 O ATOM 708 CB GLN A 50 34.712 -5.928 -31.761 1.00 0.00 C ATOM 709 CG GLN A 50 34.335 -6.957 -30.687 1.00 0.00 C ATOM 710 CD GLN A 50 34.352 -8.363 -31.291 1.00 0.00 C ATOM 711 OE1 GLN A 50 33.432 -9.130 -31.095 1.00 0.00 O ATOM 712 NE2 GLN A 50 35.368 -8.735 -32.020 1.00 0.00 N ATOM 0 H GLN A 50 34.258 -3.506 -32.287 1.00 0.00 H new ATOM 0 HA GLN A 50 33.411 -6.103 -33.470 1.00 0.00 H new ATOM 0 HB2 GLN A 50 35.458 -6.359 -32.429 1.00 0.00 H new ATOM 0 HB3 GLN A 50 35.172 -5.062 -31.286 1.00 0.00 H new ATOM 0 HG2 GLN A 50 35.035 -6.900 -29.854 1.00 0.00 H new ATOM 0 HG3 GLN A 50 33.346 -6.734 -30.288 1.00 0.00 H new ATOM 0 HE21 GLN A 50 36.141 -8.090 -32.185 1.00 0.00 H new ATOM 0 HE22 GLN A 50 35.389 -9.671 -32.425 1.00 0.00 H new ATOM 721 N VAL A 51 31.715 -4.521 -31.236 1.00 0.00 N ATOM 722 CA VAL A 51 30.446 -4.565 -30.451 1.00 0.00 C ATOM 723 C VAL A 51 29.276 -4.136 -31.343 1.00 0.00 C ATOM 724 O VAL A 51 28.152 -4.605 -31.224 1.00 0.00 O ATOM 725 CB VAL A 51 30.543 -3.559 -29.304 1.00 0.00 C ATOM 726 CG1 VAL A 51 29.254 -3.590 -28.489 1.00 0.00 C ATOM 727 CG2 VAL A 51 31.722 -3.908 -28.400 1.00 0.00 C ATOM 0 H VAL A 51 32.156 -3.603 -31.289 1.00 0.00 H new ATOM 0 HA VAL A 51 30.289 -5.577 -30.077 1.00 0.00 H new ATOM 0 HB VAL A 51 30.692 -2.562 -29.718 1.00 0.00 H new ATOM 0 HG11 VAL A 51 29.323 -2.873 -27.671 1.00 0.00 H new ATOM 0 HG12 VAL A 51 28.412 -3.329 -29.130 1.00 0.00 H new ATOM 0 HG13 VAL A 51 29.104 -4.590 -28.083 1.00 0.00 H new ATOM 0 HG21 VAL A 51 31.783 -3.186 -27.586 1.00 0.00 H new ATOM 0 HG22 VAL A 51 31.582 -4.907 -27.988 1.00 0.00 H new ATOM 0 HG23 VAL A 51 32.645 -3.881 -28.979 1.00 0.00 H new ATOM 737 N GLN A 52 29.541 -3.202 -32.208 1.00 0.00 N ATOM 738 CA GLN A 52 28.484 -2.651 -33.089 1.00 0.00 C ATOM 739 C GLN A 52 28.057 -3.640 -34.167 1.00 0.00 C ATOM 740 O GLN A 52 27.066 -3.427 -34.840 1.00 0.00 O ATOM 741 CB GLN A 52 29.024 -1.400 -33.748 1.00 0.00 C ATOM 742 CG GLN A 52 28.467 -0.171 -33.027 1.00 0.00 C ATOM 743 CD GLN A 52 28.179 0.934 -34.042 1.00 0.00 C ATOM 744 OE1 GLN A 52 28.955 1.058 -35.080 1.00 0.00 O flip ATOM 745 NE2 GLN A 52 27.242 1.691 -33.887 1.00 0.00 N flip ATOM 0 H GLN A 52 30.464 -2.790 -32.343 1.00 0.00 H new ATOM 0 HA GLN A 52 27.606 -2.435 -32.480 1.00 0.00 H new ATOM 0 HB2 GLN A 52 30.113 -1.396 -33.710 1.00 0.00 H new ATOM 0 HB3 GLN A 52 28.741 -1.378 -34.801 1.00 0.00 H new ATOM 0 HG2 GLN A 52 27.554 -0.434 -32.492 1.00 0.00 H new ATOM 0 HG3 GLN A 52 29.182 0.182 -32.284 1.00 0.00 H new ATOM 0 HE21 GLN A 52 26.635 1.592 -33.073 1.00 0.00 H new ATOM 0 HE22 GLN A 52 27.062 2.426 -34.571 1.00 0.00 H new ATOM 754 N HIS A 53 28.770 -4.710 -34.366 1.00 0.00 N ATOM 755 CA HIS A 53 28.344 -5.651 -35.420 1.00 0.00 C ATOM 756 C HIS A 53 28.853 -7.023 -35.088 1.00 0.00 C ATOM 757 O HIS A 53 29.019 -7.862 -35.951 1.00 0.00 O ATOM 758 CB HIS A 53 28.924 -5.275 -36.756 1.00 0.00 C ATOM 759 CG HIS A 53 29.304 -3.817 -36.784 1.00 0.00 C ATOM 760 ND1 HIS A 53 30.109 -3.067 -35.964 1.00 0.00 N flip ATOM 761 CD2 HIS A 53 28.837 -2.945 -37.755 1.00 0.00 C flip ATOM 762 CE1 HIS A 53 30.148 -1.753 -36.417 1.00 0.00 C flip ATOM 763 NE2 HIS A 53 29.364 -1.733 -37.498 1.00 0.00 N flip ATOM 0 H HIS A 53 29.613 -4.966 -33.852 1.00 0.00 H new ATOM 0 HA HIS A 53 27.256 -5.622 -35.471 1.00 0.00 H new ATOM 0 HB2 HIS A 53 29.801 -5.888 -36.962 1.00 0.00 H new ATOM 0 HB3 HIS A 53 28.199 -5.482 -37.543 1.00 0.00 H new ATOM 0 HD1 HIS A 53 30.604 -3.420 -35.145 1.00 0.00 H new ATOM 0 HD2 HIS A 53 28.172 -3.193 -38.569 1.00 0.00 H new ATOM 0 HE1 HIS A 53 30.695 -0.927 -35.987 1.00 0.00 H new ATOM 771 N GLY A 54 29.106 -7.274 -33.853 1.00 0.00 N ATOM 772 CA GLY A 54 29.600 -8.599 -33.517 1.00 0.00 C ATOM 773 C GLY A 54 31.020 -8.702 -34.029 1.00 0.00 C ATOM 774 O GLY A 54 31.739 -7.727 -34.121 1.00 0.00 O ATOM 0 H GLY A 54 28.992 -6.624 -33.075 1.00 0.00 H new ATOM 0 HA2 GLY A 54 29.569 -8.757 -32.439 1.00 0.00 H new ATOM 0 HA3 GLY A 54 28.973 -9.367 -33.970 1.00 0.00 H new ATOM 778 N LYS A 55 31.385 -9.878 -34.390 1.00 0.00 N ATOM 779 CA LYS A 55 32.736 -10.153 -34.961 1.00 0.00 C ATOM 780 C LYS A 55 33.110 -11.598 -34.693 1.00 0.00 C ATOM 781 O LYS A 55 33.217 -12.023 -33.563 1.00 0.00 O ATOM 782 CB LYS A 55 33.789 -9.231 -34.359 1.00 0.00 C ATOM 783 CG LYS A 55 34.252 -8.211 -35.416 1.00 0.00 C ATOM 784 CD LYS A 55 33.091 -7.744 -36.315 1.00 0.00 C ATOM 785 CE LYS A 55 33.410 -8.088 -37.772 1.00 0.00 C ATOM 786 NZ LYS A 55 34.834 -7.755 -38.061 1.00 0.00 N ATOM 0 H LYS A 55 30.789 -10.702 -34.315 1.00 0.00 H new ATOM 0 HA LYS A 55 32.700 -9.969 -36.035 1.00 0.00 H new ATOM 0 HB2 LYS A 55 33.379 -8.711 -33.493 1.00 0.00 H new ATOM 0 HB3 LYS A 55 34.639 -9.815 -34.007 1.00 0.00 H new ATOM 0 HG2 LYS A 55 34.694 -7.348 -34.918 1.00 0.00 H new ATOM 0 HG3 LYS A 55 35.032 -8.657 -36.033 1.00 0.00 H new ATOM 0 HD2 LYS A 55 32.163 -8.227 -36.010 1.00 0.00 H new ATOM 0 HD3 LYS A 55 32.942 -6.670 -36.207 1.00 0.00 H new ATOM 0 HE2 LYS A 55 33.229 -9.147 -37.955 1.00 0.00 H new ATOM 0 HE3 LYS A 55 32.753 -7.532 -38.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 34.919 -7.414 -39.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 35.157 -7.014 -37.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 35.421 -8.605 -37.938 1.00 0.00 H new ATOM 800 N ASN A 56 33.295 -12.357 -35.734 1.00 0.00 N ATOM 801 CA ASN A 56 33.647 -13.787 -35.563 1.00 0.00 C ATOM 802 C ASN A 56 32.483 -14.489 -34.859 1.00 0.00 C ATOM 803 O ASN A 56 31.591 -15.021 -35.490 1.00 0.00 O ATOM 804 CB ASN A 56 34.917 -13.915 -34.724 1.00 0.00 C ATOM 805 CG ASN A 56 36.114 -13.406 -35.530 1.00 0.00 C ATOM 806 OD1 ASN A 56 36.753 -14.163 -36.231 1.00 0.00 O ATOM 807 ND2 ASN A 56 36.445 -12.146 -35.458 1.00 0.00 N ATOM 0 H ASN A 56 33.216 -12.044 -36.702 1.00 0.00 H new ATOM 0 HA ASN A 56 33.828 -14.246 -36.535 1.00 0.00 H new ATOM 0 HB2 ASN A 56 34.816 -13.342 -33.802 1.00 0.00 H new ATOM 0 HB3 ASN A 56 35.073 -14.955 -34.438 1.00 0.00 H new ATOM 0 HD21 ASN A 56 37.241 -11.797 -35.991 1.00 0.00 H new ATOM 0 HD22 ASN A 56 35.907 -11.510 -34.869 1.00 0.00 H new ATOM 814 N ALA A 57 32.473 -14.471 -33.553 1.00 0.00 N ATOM 815 CA ALA A 57 31.358 -15.112 -32.801 1.00 0.00 C ATOM 816 C ALA A 57 30.765 -14.085 -31.829 1.00 0.00 C ATOM 817 O ALA A 57 30.234 -14.425 -30.791 1.00 0.00 O ATOM 818 CB ALA A 57 31.888 -16.319 -32.023 1.00 0.00 C ATOM 0 H ALA A 57 33.192 -14.038 -32.973 1.00 0.00 H new ATOM 0 HA ALA A 57 30.588 -15.451 -33.494 1.00 0.00 H new ATOM 0 HB1 ALA A 57 31.070 -16.786 -31.474 1.00 0.00 H new ATOM 0 HB2 ALA A 57 32.316 -17.041 -32.719 1.00 0.00 H new ATOM 0 HB3 ALA A 57 32.655 -15.991 -31.322 1.00 0.00 H new ATOM 824 N MET A 58 30.855 -12.824 -32.169 1.00 0.00 N ATOM 825 CA MET A 58 30.308 -11.752 -31.285 1.00 0.00 C ATOM 826 C MET A 58 28.999 -11.222 -31.911 1.00 0.00 C ATOM 827 O MET A 58 28.882 -11.152 -33.116 1.00 0.00 O ATOM 828 CB MET A 58 31.365 -10.645 -31.158 1.00 0.00 C ATOM 829 CG MET A 58 30.736 -9.338 -30.675 1.00 0.00 C ATOM 830 SD MET A 58 31.482 -8.786 -29.127 1.00 0.00 S ATOM 831 CE MET A 58 30.219 -7.556 -28.705 1.00 0.00 C ATOM 0 H MET A 58 31.288 -12.489 -33.030 1.00 0.00 H new ATOM 0 HA MET A 58 30.082 -12.129 -30.288 1.00 0.00 H new ATOM 0 HB2 MET A 58 32.142 -10.958 -30.461 1.00 0.00 H new ATOM 0 HB3 MET A 58 31.847 -10.486 -32.122 1.00 0.00 H new ATOM 0 HG2 MET A 58 30.861 -8.568 -31.437 1.00 0.00 H new ATOM 0 HG3 MET A 58 29.664 -9.477 -30.536 1.00 0.00 H new ATOM 0 HE1 MET A 58 30.671 -6.757 -28.117 1.00 0.00 H new ATOM 0 HE2 MET A 58 29.797 -7.139 -29.620 1.00 0.00 H new ATOM 0 HE3 MET A 58 29.428 -8.031 -28.125 1.00 0.00 H new ATOM 841 N PRO A 59 28.036 -10.929 -31.066 1.00 0.00 N ATOM 842 CA PRO A 59 26.683 -10.466 -31.492 1.00 0.00 C ATOM 843 C PRO A 59 26.582 -8.996 -31.975 1.00 0.00 C ATOM 844 O PRO A 59 26.554 -8.074 -31.183 1.00 0.00 O ATOM 845 CB PRO A 59 25.843 -10.659 -30.225 1.00 0.00 C ATOM 846 CG PRO A 59 26.819 -10.686 -29.035 1.00 0.00 C ATOM 847 CD PRO A 59 28.197 -11.053 -29.598 1.00 0.00 C ATOM 0 HA PRO A 59 26.361 -11.027 -32.370 1.00 0.00 H new ATOM 0 HB2 PRO A 59 25.122 -9.849 -30.114 1.00 0.00 H new ATOM 0 HB3 PRO A 59 25.274 -11.587 -30.278 1.00 0.00 H new ATOM 0 HG2 PRO A 59 26.850 -9.716 -28.539 1.00 0.00 H new ATOM 0 HG3 PRO A 59 26.500 -11.415 -28.290 1.00 0.00 H new ATOM 0 HD2 PRO A 59 28.971 -10.383 -29.224 1.00 0.00 H new ATOM 0 HD3 PRO A 59 28.487 -12.064 -29.313 1.00 0.00 H new ATOM 855 N ALA A 60 26.455 -8.790 -33.275 1.00 0.00 N ATOM 856 CA ALA A 60 26.274 -7.423 -33.841 1.00 0.00 C ATOM 857 C ALA A 60 25.048 -6.745 -33.239 1.00 0.00 C ATOM 858 O ALA A 60 23.933 -7.191 -33.426 1.00 0.00 O ATOM 859 CB ALA A 60 26.033 -7.570 -35.349 1.00 0.00 C ATOM 0 H ALA A 60 26.471 -9.534 -33.972 1.00 0.00 H new ATOM 0 HA ALA A 60 27.158 -6.825 -33.622 1.00 0.00 H new ATOM 0 HB1 ALA A 60 25.896 -6.584 -35.793 1.00 0.00 H new ATOM 0 HB2 ALA A 60 26.892 -8.059 -35.809 1.00 0.00 H new ATOM 0 HB3 ALA A 60 25.139 -8.171 -35.518 1.00 0.00 H new ATOM 865 N PHE A 61 25.229 -5.654 -32.545 1.00 0.00 N ATOM 866 CA PHE A 61 24.066 -4.959 -31.980 1.00 0.00 C ATOM 867 C PHE A 61 23.530 -3.979 -33.015 1.00 0.00 C ATOM 868 O PHE A 61 22.339 -3.887 -33.243 1.00 0.00 O ATOM 869 CB PHE A 61 24.514 -4.224 -30.725 1.00 0.00 C ATOM 870 CG PHE A 61 25.172 -5.238 -29.836 1.00 0.00 C ATOM 871 CD1 PHE A 61 24.597 -6.502 -29.708 1.00 0.00 C ATOM 872 CD2 PHE A 61 26.356 -4.935 -29.166 1.00 0.00 C ATOM 873 CE1 PHE A 61 25.201 -7.470 -28.907 1.00 0.00 C ATOM 874 CE2 PHE A 61 26.968 -5.906 -28.364 1.00 0.00 C ATOM 875 CZ PHE A 61 26.387 -7.172 -28.236 1.00 0.00 C ATOM 0 H PHE A 61 26.134 -5.224 -32.352 1.00 0.00 H new ATOM 0 HA PHE A 61 23.275 -5.663 -31.722 1.00 0.00 H new ATOM 0 HB2 PHE A 61 25.208 -3.422 -30.975 1.00 0.00 H new ATOM 0 HB3 PHE A 61 23.663 -3.764 -30.222 1.00 0.00 H new ATOM 0 HD1 PHE A 61 23.681 -6.732 -30.231 1.00 0.00 H new ATOM 0 HD2 PHE A 61 26.800 -3.955 -29.265 1.00 0.00 H new ATOM 0 HE1 PHE A 61 24.752 -8.447 -28.806 1.00 0.00 H new ATOM 0 HE2 PHE A 61 27.887 -5.678 -27.845 1.00 0.00 H new ATOM 0 HZ PHE A 61 26.858 -7.921 -27.616 1.00 0.00 H new ATOM 885 N ALA A 62 24.401 -3.233 -33.638 1.00 0.00 N ATOM 886 CA ALA A 62 23.944 -2.243 -34.651 1.00 0.00 C ATOM 887 C ALA A 62 22.770 -1.454 -34.077 1.00 0.00 C ATOM 888 O ALA A 62 22.006 -0.842 -34.796 1.00 0.00 O ATOM 889 CB ALA A 62 23.501 -2.972 -35.922 1.00 0.00 C ATOM 0 H ALA A 62 25.409 -3.267 -33.488 1.00 0.00 H new ATOM 0 HA ALA A 62 24.761 -1.564 -34.897 1.00 0.00 H new ATOM 0 HB1 ALA A 62 23.167 -2.244 -36.661 1.00 0.00 H new ATOM 0 HB2 ALA A 62 24.338 -3.541 -36.326 1.00 0.00 H new ATOM 0 HB3 ALA A 62 22.682 -3.651 -35.685 1.00 0.00 H new ATOM 895 N GLY A 63 22.618 -1.467 -32.780 1.00 0.00 N ATOM 896 CA GLY A 63 21.501 -0.729 -32.152 1.00 0.00 C ATOM 897 C GLY A 63 20.765 -1.680 -31.222 1.00 0.00 C ATOM 898 O GLY A 63 19.550 -1.710 -31.165 1.00 0.00 O ATOM 0 H GLY A 63 23.228 -1.963 -32.130 1.00 0.00 H new ATOM 0 HA2 GLY A 63 21.878 0.130 -31.597 1.00 0.00 H new ATOM 0 HA3 GLY A 63 20.824 -0.343 -32.914 1.00 0.00 H new ATOM 902 N ARG A 64 21.505 -2.446 -30.479 1.00 0.00 N ATOM 903 CA ARG A 64 20.888 -3.392 -29.526 1.00 0.00 C ATOM 904 C ARG A 64 21.007 -2.741 -28.177 1.00 0.00 C ATOM 905 O ARG A 64 20.042 -2.554 -27.462 1.00 0.00 O ATOM 906 CB ARG A 64 21.662 -4.701 -29.537 1.00 0.00 C ATOM 907 CG ARG A 64 20.767 -5.831 -29.052 1.00 0.00 C ATOM 908 CD ARG A 64 21.543 -7.127 -29.201 1.00 0.00 C ATOM 909 NE ARG A 64 20.637 -8.291 -28.988 1.00 0.00 N ATOM 910 CZ ARG A 64 21.009 -9.274 -28.212 1.00 0.00 C ATOM 911 NH1 ARG A 64 21.652 -9.023 -27.105 1.00 0.00 N ATOM 912 NH2 ARG A 64 20.738 -10.507 -28.544 1.00 0.00 N ATOM 0 H ARG A 64 22.525 -2.455 -30.494 1.00 0.00 H new ATOM 0 HA ARG A 64 19.851 -3.611 -29.779 1.00 0.00 H new ATOM 0 HB2 ARG A 64 22.020 -4.914 -30.544 1.00 0.00 H new ATOM 0 HB3 ARG A 64 22.541 -4.620 -28.897 1.00 0.00 H new ATOM 0 HG2 ARG A 64 20.481 -5.673 -28.012 1.00 0.00 H new ATOM 0 HG3 ARG A 64 19.846 -5.867 -29.634 1.00 0.00 H new ATOM 0 HD2 ARG A 64 21.990 -7.181 -30.194 1.00 0.00 H new ATOM 0 HD3 ARG A 64 22.361 -7.156 -28.481 1.00 0.00 H new ATOM 0 HE ARG A 64 19.727 -8.320 -29.448 1.00 0.00 H new ATOM 0 HH11 ARG A 64 21.864 -8.060 -26.846 1.00 0.00 H new ATOM 0 HH12 ARG A 64 21.943 -9.790 -26.499 1.00 0.00 H new ATOM 0 HH21 ARG A 64 20.236 -10.703 -29.410 1.00 0.00 H new ATOM 0 HH22 ARG A 64 21.029 -11.274 -27.938 1.00 0.00 H new ATOM 926 N LEU A 65 22.198 -2.333 -27.855 1.00 0.00 N ATOM 927 CA LEU A 65 22.389 -1.616 -26.581 1.00 0.00 C ATOM 928 C LEU A 65 21.578 -0.323 -26.697 1.00 0.00 C ATOM 929 O LEU A 65 20.528 -0.295 -27.307 1.00 0.00 O ATOM 930 CB LEU A 65 23.883 -1.319 -26.366 1.00 0.00 C ATOM 931 CG LEU A 65 24.636 -2.617 -26.052 1.00 0.00 C ATOM 932 CD1 LEU A 65 23.833 -3.463 -25.062 1.00 0.00 C ATOM 933 CD2 LEU A 65 24.852 -3.417 -27.334 1.00 0.00 C ATOM 0 H LEU A 65 23.039 -2.466 -28.417 1.00 0.00 H new ATOM 0 HA LEU A 65 22.056 -2.205 -25.726 1.00 0.00 H new ATOM 0 HB2 LEU A 65 24.302 -0.853 -27.258 1.00 0.00 H new ATOM 0 HB3 LEU A 65 24.007 -0.610 -25.548 1.00 0.00 H new ATOM 0 HG LEU A 65 25.601 -2.363 -25.613 1.00 0.00 H new ATOM 0 HD11 LEU A 65 24.376 -4.383 -24.845 1.00 0.00 H new ATOM 0 HD12 LEU A 65 23.687 -2.902 -24.139 1.00 0.00 H new ATOM 0 HD13 LEU A 65 22.863 -3.708 -25.495 1.00 0.00 H new ATOM 0 HD21 LEU A 65 25.388 -4.338 -27.102 1.00 0.00 H new ATOM 0 HD22 LEU A 65 23.887 -3.661 -27.778 1.00 0.00 H new ATOM 0 HD23 LEU A 65 25.436 -2.825 -28.038 1.00 0.00 H new ATOM 945 N THR A 66 22.042 0.734 -26.134 1.00 0.00 N ATOM 946 CA THR A 66 21.286 2.019 -26.227 1.00 0.00 C ATOM 947 C THR A 66 21.890 2.894 -27.334 1.00 0.00 C ATOM 948 O THR A 66 21.215 3.307 -28.255 1.00 0.00 O ATOM 949 CB THR A 66 21.353 2.762 -24.879 1.00 0.00 C ATOM 950 OG1 THR A 66 20.422 2.182 -23.978 1.00 0.00 O ATOM 951 CG2 THR A 66 21.008 4.238 -25.083 1.00 0.00 C ATOM 0 H THR A 66 22.915 0.779 -25.608 1.00 0.00 H new ATOM 0 HA THR A 66 20.244 1.807 -26.466 1.00 0.00 H new ATOM 0 HB THR A 66 22.361 2.681 -24.472 1.00 0.00 H new ATOM 0 HG1 THR A 66 20.463 2.651 -23.118 1.00 0.00 H new ATOM 0 HG21 THR A 66 21.057 4.759 -24.127 1.00 0.00 H new ATOM 0 HG22 THR A 66 21.720 4.686 -25.777 1.00 0.00 H new ATOM 0 HG23 THR A 66 20.001 4.323 -25.491 1.00 0.00 H new ATOM 959 N ASP A 67 23.158 3.179 -27.224 1.00 0.00 N ATOM 960 CA ASP A 67 23.865 4.038 -28.222 1.00 0.00 C ATOM 961 C ASP A 67 25.017 4.705 -27.478 1.00 0.00 C ATOM 962 O ASP A 67 26.176 4.566 -27.825 1.00 0.00 O ATOM 963 CB ASP A 67 22.918 5.110 -28.773 1.00 0.00 C ATOM 964 CG ASP A 67 23.729 6.209 -29.463 1.00 0.00 C ATOM 965 OD1 ASP A 67 24.432 6.926 -28.769 1.00 0.00 O ATOM 966 OD2 ASP A 67 23.634 6.316 -30.675 1.00 0.00 O ATOM 0 H ASP A 67 23.751 2.844 -26.464 1.00 0.00 H new ATOM 0 HA ASP A 67 24.220 3.444 -29.064 1.00 0.00 H new ATOM 0 HB2 ASP A 67 22.219 4.663 -29.479 1.00 0.00 H new ATOM 0 HB3 ASP A 67 22.325 5.536 -27.964 1.00 0.00 H new ATOM 971 N GLU A 68 24.692 5.379 -26.406 1.00 0.00 N ATOM 972 CA GLU A 68 25.735 6.023 -25.564 1.00 0.00 C ATOM 973 C GLU A 68 26.535 4.929 -24.852 1.00 0.00 C ATOM 974 O GLU A 68 27.473 5.198 -24.134 1.00 0.00 O ATOM 975 CB GLU A 68 25.051 6.898 -24.520 1.00 0.00 C ATOM 976 CG GLU A 68 24.420 8.107 -25.209 1.00 0.00 C ATOM 977 CD GLU A 68 24.427 9.304 -24.255 1.00 0.00 C ATOM 978 OE1 GLU A 68 24.868 9.138 -23.130 1.00 0.00 O ATOM 979 OE2 GLU A 68 23.992 10.367 -24.668 1.00 0.00 O ATOM 0 H GLU A 68 23.736 5.510 -26.077 1.00 0.00 H new ATOM 0 HA GLU A 68 26.398 6.629 -26.181 1.00 0.00 H new ATOM 0 HB2 GLU A 68 24.287 6.326 -23.993 1.00 0.00 H new ATOM 0 HB3 GLU A 68 25.774 7.227 -23.774 1.00 0.00 H new ATOM 0 HG2 GLU A 68 24.972 8.350 -26.117 1.00 0.00 H new ATOM 0 HG3 GLU A 68 23.398 7.875 -25.509 1.00 0.00 H new ATOM 986 N GLN A 69 26.162 3.697 -25.066 1.00 0.00 N ATOM 987 CA GLN A 69 26.866 2.551 -24.445 1.00 0.00 C ATOM 988 C GLN A 69 27.607 1.838 -25.557 1.00 0.00 C ATOM 989 O GLN A 69 28.671 1.304 -25.368 1.00 0.00 O ATOM 990 CB GLN A 69 25.884 1.611 -23.760 1.00 0.00 C ATOM 991 CG GLN A 69 24.479 2.225 -23.741 1.00 0.00 C ATOM 992 CD GLN A 69 24.490 3.581 -23.022 1.00 0.00 C ATOM 993 OE1 GLN A 69 23.497 4.284 -23.028 1.00 0.00 O ATOM 994 NE2 GLN A 69 25.561 3.989 -22.392 1.00 0.00 N ATOM 0 H GLN A 69 25.377 3.436 -25.662 1.00 0.00 H new ATOM 0 HA GLN A 69 27.557 2.895 -23.675 1.00 0.00 H new ATOM 0 HB2 GLN A 69 25.862 0.654 -24.282 1.00 0.00 H new ATOM 0 HB3 GLN A 69 26.214 1.411 -22.741 1.00 0.00 H new ATOM 0 HG2 GLN A 69 24.118 2.352 -24.762 1.00 0.00 H new ATOM 0 HG3 GLN A 69 23.787 1.548 -23.240 1.00 0.00 H new ATOM 0 HE21 GLN A 69 26.399 3.407 -22.381 1.00 0.00 H new ATOM 0 HE22 GLN A 69 25.558 4.889 -21.912 1.00 0.00 H new ATOM 1003 N ILE A 70 27.116 1.911 -26.764 1.00 0.00 N ATOM 1004 CA ILE A 70 27.914 1.325 -27.863 1.00 0.00 C ATOM 1005 C ILE A 70 29.264 2.043 -27.761 1.00 0.00 C ATOM 1006 O ILE A 70 30.296 1.566 -28.190 1.00 0.00 O ATOM 1007 CB ILE A 70 27.266 1.626 -29.219 1.00 0.00 C ATOM 1008 CG1 ILE A 70 25.938 0.873 -29.354 1.00 0.00 C ATOM 1009 CG2 ILE A 70 28.208 1.184 -30.337 1.00 0.00 C ATOM 1010 CD1 ILE A 70 26.094 -0.556 -28.826 1.00 0.00 C ATOM 0 H ILE A 70 26.227 2.337 -27.026 1.00 0.00 H new ATOM 0 HA ILE A 70 27.997 0.241 -27.786 1.00 0.00 H new ATOM 0 HB ILE A 70 27.076 2.697 -29.290 1.00 0.00 H new ATOM 0 HG12 ILE A 70 25.157 1.392 -28.798 1.00 0.00 H new ATOM 0 HG13 ILE A 70 25.626 0.852 -30.398 1.00 0.00 H new ATOM 0 HG21 ILE A 70 27.751 1.396 -31.303 1.00 0.00 H new ATOM 0 HG22 ILE A 70 29.150 1.726 -30.254 1.00 0.00 H new ATOM 0 HG23 ILE A 70 28.396 0.114 -30.252 1.00 0.00 H new ATOM 0 HD11 ILE A 70 25.147 -1.086 -28.925 1.00 0.00 H new ATOM 0 HD12 ILE A 70 26.861 -1.075 -29.401 1.00 0.00 H new ATOM 0 HD13 ILE A 70 26.385 -0.526 -27.776 1.00 0.00 H new ATOM 1022 N GLN A 71 29.218 3.210 -27.154 1.00 0.00 N ATOM 1023 CA GLN A 71 30.403 4.048 -26.933 1.00 0.00 C ATOM 1024 C GLN A 71 30.957 3.787 -25.531 1.00 0.00 C ATOM 1025 O GLN A 71 32.011 3.217 -25.352 1.00 0.00 O ATOM 1026 CB GLN A 71 29.923 5.491 -26.987 1.00 0.00 C ATOM 1027 CG GLN A 71 30.059 6.031 -28.410 1.00 0.00 C ATOM 1028 CD GLN A 71 29.324 5.102 -29.375 1.00 0.00 C ATOM 1029 OE1 GLN A 71 28.022 5.145 -29.432 1.00 0.00 O flip ATOM 1030 NE2 GLN A 71 29.939 4.331 -30.082 1.00 0.00 N flip ATOM 0 H GLN A 71 28.355 3.617 -26.793 1.00 0.00 H new ATOM 0 HA GLN A 71 31.174 3.838 -27.674 1.00 0.00 H new ATOM 0 HB2 GLN A 71 28.884 5.550 -26.664 1.00 0.00 H new ATOM 0 HB3 GLN A 71 30.506 6.103 -26.299 1.00 0.00 H new ATOM 0 HG2 GLN A 71 29.645 7.038 -28.470 1.00 0.00 H new ATOM 0 HG3 GLN A 71 31.111 6.102 -28.685 1.00 0.00 H new ATOM 0 HE21 GLN A 71 30.957 4.299 -30.036 1.00 0.00 H new ATOM 0 HE22 GLN A 71 29.437 3.715 -30.722 1.00 0.00 H new ATOM 1039 N ASP A 72 30.233 4.229 -24.543 1.00 0.00 N ATOM 1040 CA ASP A 72 30.650 4.054 -23.130 1.00 0.00 C ATOM 1041 C ASP A 72 31.138 2.630 -22.905 1.00 0.00 C ATOM 1042 O ASP A 72 32.155 2.417 -22.305 1.00 0.00 O ATOM 1043 CB ASP A 72 29.444 4.313 -22.230 1.00 0.00 C ATOM 1044 CG ASP A 72 29.427 5.783 -21.807 1.00 0.00 C ATOM 1045 OD1 ASP A 72 30.498 6.360 -21.697 1.00 0.00 O ATOM 1046 OD2 ASP A 72 28.346 6.309 -21.603 1.00 0.00 O ATOM 0 H ASP A 72 29.346 4.717 -24.662 1.00 0.00 H new ATOM 0 HA ASP A 72 31.456 4.750 -22.899 1.00 0.00 H new ATOM 0 HB2 ASP A 72 28.523 4.065 -22.758 1.00 0.00 H new ATOM 0 HB3 ASP A 72 29.489 3.671 -21.350 1.00 0.00 H new ATOM 1051 N VAL A 73 30.391 1.666 -23.369 1.00 0.00 N ATOM 1052 CA VAL A 73 30.762 0.231 -23.192 1.00 0.00 C ATOM 1053 C VAL A 73 32.120 -0.053 -23.865 1.00 0.00 C ATOM 1054 O VAL A 73 32.918 -0.832 -23.388 1.00 0.00 O ATOM 1055 CB VAL A 73 29.669 -0.643 -23.833 1.00 0.00 C ATOM 1056 CG1 VAL A 73 29.965 -0.874 -25.322 1.00 0.00 C ATOM 1057 CG2 VAL A 73 29.615 -1.989 -23.124 1.00 0.00 C ATOM 0 H VAL A 73 29.518 1.816 -23.875 1.00 0.00 H new ATOM 0 HA VAL A 73 30.847 0.002 -22.130 1.00 0.00 H new ATOM 0 HB VAL A 73 28.713 -0.128 -23.737 1.00 0.00 H new ATOM 0 HG11 VAL A 73 29.181 -1.494 -25.757 1.00 0.00 H new ATOM 0 HG12 VAL A 73 29.998 0.085 -25.839 1.00 0.00 H new ATOM 0 HG13 VAL A 73 30.926 -1.377 -25.428 1.00 0.00 H new ATOM 0 HG21 VAL A 73 28.841 -2.608 -23.578 1.00 0.00 H new ATOM 0 HG22 VAL A 73 30.580 -2.488 -23.217 1.00 0.00 H new ATOM 0 HG23 VAL A 73 29.385 -1.836 -22.070 1.00 0.00 H new ATOM 1067 N ALA A 74 32.394 0.564 -24.974 1.00 0.00 N ATOM 1068 CA ALA A 74 33.706 0.317 -25.629 1.00 0.00 C ATOM 1069 C ALA A 74 34.766 0.927 -24.721 1.00 0.00 C ATOM 1070 O ALA A 74 35.592 0.243 -24.143 1.00 0.00 O ATOM 1071 CB ALA A 74 33.745 0.989 -26.999 1.00 0.00 C ATOM 0 H ALA A 74 31.777 1.221 -25.452 1.00 0.00 H new ATOM 0 HA ALA A 74 33.876 -0.749 -25.776 1.00 0.00 H new ATOM 0 HB1 ALA A 74 34.710 0.801 -27.469 1.00 0.00 H new ATOM 0 HB2 ALA A 74 32.951 0.583 -27.626 1.00 0.00 H new ATOM 0 HB3 ALA A 74 33.601 2.063 -26.882 1.00 0.00 H new ATOM 1077 N ALA A 75 34.702 2.214 -24.544 1.00 0.00 N ATOM 1078 CA ALA A 75 35.647 2.886 -23.625 1.00 0.00 C ATOM 1079 C ALA A 75 35.493 2.229 -22.248 1.00 0.00 C ATOM 1080 O ALA A 75 36.356 2.312 -21.398 1.00 0.00 O ATOM 1081 CB ALA A 75 35.272 4.369 -23.535 1.00 0.00 C ATOM 0 H ALA A 75 34.030 2.831 -25.001 1.00 0.00 H new ATOM 0 HA ALA A 75 36.675 2.797 -23.976 1.00 0.00 H new ATOM 0 HB1 ALA A 75 35.960 4.878 -22.860 1.00 0.00 H new ATOM 0 HB2 ALA A 75 35.334 4.821 -24.525 1.00 0.00 H new ATOM 0 HB3 ALA A 75 34.255 4.465 -23.155 1.00 0.00 H new ATOM 1087 N TYR A 76 34.385 1.560 -22.045 1.00 0.00 N ATOM 1088 CA TYR A 76 34.119 0.876 -20.750 1.00 0.00 C ATOM 1089 C TYR A 76 35.141 -0.229 -20.583 1.00 0.00 C ATOM 1090 O TYR A 76 35.735 -0.390 -19.538 1.00 0.00 O ATOM 1091 CB TYR A 76 32.700 0.279 -20.778 1.00 0.00 C ATOM 1092 CG TYR A 76 32.435 -0.536 -19.551 1.00 0.00 C ATOM 1093 CD1 TYR A 76 32.041 0.094 -18.400 1.00 0.00 C ATOM 1094 CD2 TYR A 76 32.567 -1.918 -19.578 1.00 0.00 C ATOM 1095 CE1 TYR A 76 31.777 -0.634 -17.254 1.00 0.00 C ATOM 1096 CE2 TYR A 76 32.302 -2.670 -18.428 1.00 0.00 C ATOM 1097 CZ TYR A 76 31.904 -2.023 -17.259 1.00 0.00 C ATOM 1098 OH TYR A 76 31.641 -2.749 -16.116 1.00 0.00 O ATOM 0 H TYR A 76 33.643 1.460 -22.737 1.00 0.00 H new ATOM 0 HA TYR A 76 34.192 1.578 -19.920 1.00 0.00 H new ATOM 0 HB2 TYR A 76 31.966 1.081 -20.851 1.00 0.00 H new ATOM 0 HB3 TYR A 76 32.581 -0.344 -21.665 1.00 0.00 H new ATOM 0 HD1 TYR A 76 31.936 1.169 -18.387 1.00 0.00 H new ATOM 0 HD2 TYR A 76 32.874 -2.413 -20.487 1.00 0.00 H new ATOM 0 HE1 TYR A 76 31.471 -0.125 -16.352 1.00 0.00 H new ATOM 0 HE2 TYR A 76 32.405 -3.745 -18.446 1.00 0.00 H new ATOM 0 HH TYR A 76 31.778 -3.703 -16.296 1.00 0.00 H new ATOM 1108 N VAL A 77 35.366 -0.984 -21.615 1.00 0.00 N ATOM 1109 CA VAL A 77 36.366 -2.065 -21.514 1.00 0.00 C ATOM 1110 C VAL A 77 37.747 -1.434 -21.399 1.00 0.00 C ATOM 1111 O VAL A 77 38.668 -2.014 -20.858 1.00 0.00 O ATOM 1112 CB VAL A 77 36.301 -2.953 -22.758 1.00 0.00 C ATOM 1113 CG1 VAL A 77 37.530 -3.864 -22.799 1.00 0.00 C ATOM 1114 CG2 VAL A 77 35.034 -3.807 -22.708 1.00 0.00 C ATOM 0 H VAL A 77 34.901 -0.898 -22.519 1.00 0.00 H new ATOM 0 HA VAL A 77 36.163 -2.681 -20.638 1.00 0.00 H new ATOM 0 HB VAL A 77 36.283 -2.328 -23.651 1.00 0.00 H new ATOM 0 HG11 VAL A 77 37.484 -4.497 -23.685 1.00 0.00 H new ATOM 0 HG12 VAL A 77 38.433 -3.255 -22.834 1.00 0.00 H new ATOM 0 HG13 VAL A 77 37.549 -4.490 -21.907 1.00 0.00 H new ATOM 0 HG21 VAL A 77 34.987 -4.440 -23.594 1.00 0.00 H new ATOM 0 HG22 VAL A 77 35.052 -4.433 -21.816 1.00 0.00 H new ATOM 0 HG23 VAL A 77 34.159 -3.158 -22.679 1.00 0.00 H new ATOM 1124 N LEU A 78 37.894 -0.234 -21.893 1.00 0.00 N ATOM 1125 CA LEU A 78 39.213 0.441 -21.799 1.00 0.00 C ATOM 1126 C LEU A 78 39.334 1.104 -20.425 1.00 0.00 C ATOM 1127 O LEU A 78 40.361 1.651 -20.073 1.00 0.00 O ATOM 1128 CB LEU A 78 39.332 1.496 -22.901 1.00 0.00 C ATOM 1129 CG LEU A 78 38.543 1.046 -24.137 1.00 0.00 C ATOM 1130 CD1 LEU A 78 38.962 1.893 -25.342 1.00 0.00 C ATOM 1131 CD2 LEU A 78 38.824 -0.429 -24.432 1.00 0.00 C ATOM 0 H LEU A 78 37.160 0.303 -22.355 1.00 0.00 H new ATOM 0 HA LEU A 78 40.013 -0.289 -21.924 1.00 0.00 H new ATOM 0 HB2 LEU A 78 38.952 2.453 -22.544 1.00 0.00 H new ATOM 0 HB3 LEU A 78 40.380 1.647 -23.162 1.00 0.00 H new ATOM 0 HG LEU A 78 37.478 1.175 -23.946 1.00 0.00 H new ATOM 0 HD11 LEU A 78 38.403 1.575 -26.222 1.00 0.00 H new ATOM 0 HD12 LEU A 78 38.753 2.943 -25.139 1.00 0.00 H new ATOM 0 HD13 LEU A 78 40.029 1.764 -25.524 1.00 0.00 H new ATOM 0 HD21 LEU A 78 38.259 -0.738 -25.311 1.00 0.00 H new ATOM 0 HD22 LEU A 78 39.889 -0.566 -24.618 1.00 0.00 H new ATOM 0 HD23 LEU A 78 38.524 -1.035 -23.577 1.00 0.00 H new ATOM 1143 N ASP A 79 38.286 1.059 -19.645 1.00 0.00 N ATOM 1144 CA ASP A 79 38.316 1.673 -18.307 1.00 0.00 C ATOM 1145 C ASP A 79 38.617 0.587 -17.279 1.00 0.00 C ATOM 1146 O ASP A 79 39.431 0.754 -16.392 1.00 0.00 O ATOM 1147 CB ASP A 79 36.944 2.279 -18.012 1.00 0.00 C ATOM 1148 CG ASP A 79 37.091 3.413 -16.996 1.00 0.00 C ATOM 1149 OD1 ASP A 79 37.559 3.145 -15.902 1.00 0.00 O ATOM 1150 OD2 ASP A 79 36.733 4.531 -17.330 1.00 0.00 O ATOM 0 H ASP A 79 37.402 0.614 -19.892 1.00 0.00 H new ATOM 0 HA ASP A 79 39.080 2.449 -18.263 1.00 0.00 H new ATOM 0 HB2 ASP A 79 36.497 2.657 -18.931 1.00 0.00 H new ATOM 0 HB3 ASP A 79 36.273 1.513 -17.623 1.00 0.00 H new ATOM 1155 N GLN A 80 37.954 -0.528 -17.404 1.00 0.00 N ATOM 1156 CA GLN A 80 38.167 -1.646 -16.456 1.00 0.00 C ATOM 1157 C GLN A 80 39.524 -2.300 -16.703 1.00 0.00 C ATOM 1158 O GLN A 80 40.152 -2.808 -15.796 1.00 0.00 O ATOM 1159 CB GLN A 80 37.100 -2.686 -16.680 1.00 0.00 C ATOM 1160 CG GLN A 80 35.785 -2.216 -16.086 1.00 0.00 C ATOM 1161 CD GLN A 80 35.047 -1.362 -17.109 1.00 0.00 C ATOM 1162 OE1 GLN A 80 34.822 -0.101 -16.853 1.00 0.00 O flip ATOM 1163 NE2 GLN A 80 34.677 -1.846 -18.153 1.00 0.00 N flip ATOM 0 H GLN A 80 37.265 -0.710 -18.134 1.00 0.00 H new ATOM 0 HA GLN A 80 38.127 -1.257 -15.439 1.00 0.00 H new ATOM 0 HB2 GLN A 80 36.981 -2.872 -17.747 1.00 0.00 H new ATOM 0 HB3 GLN A 80 37.398 -3.630 -16.223 1.00 0.00 H new ATOM 0 HG2 GLN A 80 35.174 -3.073 -15.802 1.00 0.00 H new ATOM 0 HG3 GLN A 80 35.968 -1.640 -15.179 1.00 0.00 H new ATOM 0 HE21 GLN A 80 34.854 -2.831 -18.350 1.00 0.00 H new ATOM 0 HE22 GLN A 80 34.187 -1.269 -18.837 1.00 0.00 H new ATOM 1172 N ALA A 81 39.980 -2.309 -17.928 1.00 0.00 N ATOM 1173 CA ALA A 81 41.292 -2.941 -18.216 1.00 0.00 C ATOM 1174 C ALA A 81 42.349 -2.242 -17.374 1.00 0.00 C ATOM 1175 O ALA A 81 43.107 -2.860 -16.654 1.00 0.00 O ATOM 1176 CB ALA A 81 41.622 -2.773 -19.702 1.00 0.00 C ATOM 0 H ALA A 81 39.501 -1.908 -18.734 1.00 0.00 H new ATOM 0 HA ALA A 81 41.264 -4.004 -17.978 1.00 0.00 H new ATOM 0 HB1 ALA A 81 42.585 -3.236 -19.915 1.00 0.00 H new ATOM 0 HB2 ALA A 81 40.848 -3.251 -20.303 1.00 0.00 H new ATOM 0 HB3 ALA A 81 41.668 -1.712 -19.947 1.00 0.00 H new ATOM 1182 N ALA A 82 42.396 -0.948 -17.468 1.00 0.00 N ATOM 1183 CA ALA A 82 43.387 -0.172 -16.694 1.00 0.00 C ATOM 1184 C ALA A 82 42.802 0.182 -15.326 1.00 0.00 C ATOM 1185 O ALA A 82 43.251 1.099 -14.669 1.00 0.00 O ATOM 1186 CB ALA A 82 43.718 1.118 -17.446 1.00 0.00 C ATOM 0 H ALA A 82 41.779 -0.389 -18.058 1.00 0.00 H new ATOM 0 HA ALA A 82 44.291 -0.766 -16.563 1.00 0.00 H new ATOM 0 HB1 ALA A 82 44.449 1.693 -16.878 1.00 0.00 H new ATOM 0 HB2 ALA A 82 44.131 0.873 -18.425 1.00 0.00 H new ATOM 0 HB3 ALA A 82 42.811 1.709 -17.572 1.00 0.00 H new ATOM 1192 N LYS A 83 41.787 -0.521 -14.896 1.00 0.00 N ATOM 1193 CA LYS A 83 41.173 -0.192 -13.578 1.00 0.00 C ATOM 1194 C LYS A 83 40.981 -1.438 -12.722 1.00 0.00 C ATOM 1195 O LYS A 83 40.403 -1.377 -11.655 1.00 0.00 O ATOM 1196 CB LYS A 83 39.821 0.491 -13.804 1.00 0.00 C ATOM 1197 CG LYS A 83 39.102 0.667 -12.463 1.00 0.00 C ATOM 1198 CD LYS A 83 38.173 1.881 -12.535 1.00 0.00 C ATOM 1199 CE LYS A 83 38.860 3.088 -11.896 1.00 0.00 C ATOM 1200 NZ LYS A 83 38.386 4.337 -12.556 1.00 0.00 N ATOM 0 H LYS A 83 41.361 -1.301 -15.396 1.00 0.00 H new ATOM 0 HA LYS A 83 41.848 0.478 -13.046 1.00 0.00 H new ATOM 0 HB2 LYS A 83 39.967 1.461 -14.279 1.00 0.00 H new ATOM 0 HB3 LYS A 83 39.209 -0.106 -14.480 1.00 0.00 H new ATOM 0 HG2 LYS A 83 38.529 -0.229 -12.226 1.00 0.00 H new ATOM 0 HG3 LYS A 83 39.830 0.800 -11.663 1.00 0.00 H new ATOM 0 HD2 LYS A 83 37.922 2.099 -13.573 1.00 0.00 H new ATOM 0 HD3 LYS A 83 37.237 1.667 -12.019 1.00 0.00 H new ATOM 0 HE2 LYS A 83 38.640 3.122 -10.829 1.00 0.00 H new ATOM 0 HE3 LYS A 83 39.942 2.999 -11.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 38.853 5.158 -12.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 38.617 4.303 -13.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 37.356 4.422 -12.438 1.00 0.00 H new ATOM 1214 N GLY A 84 41.448 -2.567 -13.154 1.00 0.00 N ATOM 1215 CA GLY A 84 41.262 -3.776 -12.323 1.00 0.00 C ATOM 1216 C GLY A 84 39.851 -4.294 -12.549 1.00 0.00 C ATOM 1217 O GLY A 84 38.975 -4.119 -11.732 1.00 0.00 O ATOM 0 H GLY A 84 41.944 -2.705 -14.035 1.00 0.00 H new ATOM 0 HA2 GLY A 84 41.994 -4.538 -12.591 1.00 0.00 H new ATOM 0 HA3 GLY A 84 41.417 -3.541 -11.270 1.00 0.00 H new ATOM 1221 N TRP A 85 39.651 -4.922 -13.666 1.00 0.00 N ATOM 1222 CA TRP A 85 38.311 -5.495 -14.022 1.00 0.00 C ATOM 1223 C TRP A 85 37.629 -6.094 -12.786 1.00 0.00 C ATOM 1224 O TRP A 85 37.691 -7.283 -12.542 1.00 0.00 O ATOM 1225 CB TRP A 85 38.477 -6.603 -15.067 1.00 0.00 C ATOM 1226 CG TRP A 85 38.263 -6.050 -16.429 1.00 0.00 C ATOM 1227 CD1 TRP A 85 39.208 -5.933 -17.383 1.00 0.00 C ATOM 1228 CD2 TRP A 85 37.042 -5.532 -16.999 1.00 0.00 C ATOM 1229 NE1 TRP A 85 38.631 -5.375 -18.508 1.00 0.00 N ATOM 1230 CE2 TRP A 85 37.297 -5.109 -18.317 1.00 0.00 C ATOM 1231 CE3 TRP A 85 35.751 -5.385 -16.495 1.00 0.00 C ATOM 1232 CZ2 TRP A 85 36.300 -4.560 -19.115 1.00 0.00 C ATOM 1233 CZ3 TRP A 85 34.742 -4.825 -17.291 1.00 0.00 C ATOM 1234 CH2 TRP A 85 35.012 -4.413 -18.601 1.00 0.00 C ATOM 0 H TRP A 85 40.373 -5.071 -14.371 1.00 0.00 H new ATOM 0 HA TRP A 85 37.697 -4.688 -14.421 1.00 0.00 H new ATOM 0 HB2 TRP A 85 39.474 -7.037 -14.994 1.00 0.00 H new ATOM 0 HB3 TRP A 85 37.765 -7.406 -14.875 1.00 0.00 H new ATOM 0 HD1 TRP A 85 40.243 -6.226 -17.285 1.00 0.00 H new ATOM 0 HE1 TRP A 85 39.134 -5.184 -19.374 1.00 0.00 H new ATOM 0 HE3 TRP A 85 35.527 -5.704 -15.488 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 36.521 -4.250 -20.126 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 33.746 -4.710 -16.889 1.00 0.00 H new ATOM 0 HH2 TRP A 85 34.229 -3.985 -19.209 1.00 0.00 H new ATOM 1245 N ALA A 86 36.967 -5.278 -12.015 1.00 0.00 N ATOM 1246 CA ALA A 86 36.261 -5.779 -10.798 1.00 0.00 C ATOM 1247 C ALA A 86 37.166 -6.741 -10.034 1.00 0.00 C ATOM 1248 O ALA A 86 36.704 -7.593 -9.301 1.00 0.00 O ATOM 1249 CB ALA A 86 34.981 -6.505 -11.212 1.00 0.00 C ATOM 0 H ALA A 86 36.883 -4.274 -12.176 1.00 0.00 H new ATOM 0 HA ALA A 86 36.010 -4.934 -10.156 1.00 0.00 H new ATOM 0 HB1 ALA A 86 34.466 -6.870 -10.323 1.00 0.00 H new ATOM 0 HB2 ALA A 86 34.330 -5.816 -11.751 1.00 0.00 H new ATOM 0 HB3 ALA A 86 35.233 -7.347 -11.857 1.00 0.00 H new ATOM 1255 N GLY A 87 38.451 -6.611 -10.197 1.00 0.00 N ATOM 1256 CA GLY A 87 39.392 -7.513 -9.480 1.00 0.00 C ATOM 1257 C GLY A 87 38.928 -7.689 -8.033 1.00 0.00 C ATOM 1258 O GLY A 87 38.849 -6.693 -7.332 1.00 0.00 O ATOM 1259 OXT GLY A 87 38.659 -8.815 -7.650 1.00 0.00 O ATOM 0 H GLY A 87 38.892 -5.916 -10.799 1.00 0.00 H new ATOM 0 HA2 GLY A 87 39.436 -8.481 -9.979 1.00 0.00 H new ATOM 0 HA3 GLY A 87 40.399 -7.097 -9.502 1.00 0.00 H new TER 1263 GLY A 87 HETATM 1264 FE HEC A 88 32.232 -9.559 -27.152 1.00 0.00 FE HETATM 1265 CHA HEC A 88 35.216 -10.336 -28.517 1.00 0.00 C HETATM 1266 CHB HEC A 88 33.510 -6.648 -26.013 1.00 0.00 C HETATM 1267 CHC HEC A 88 29.231 -8.764 -25.880 1.00 0.00 C HETATM 1268 CHD HEC A 88 31.021 -12.570 -28.059 1.00 0.00 C HETATM 1269 NA HEC A 88 33.977 -8.684 -27.245 1.00 0.00 N HETATM 1270 C1A HEC A 88 35.111 -9.130 -27.875 1.00 0.00 C HETATM 1271 C2A HEC A 88 36.198 -8.200 -27.732 1.00 0.00 C HETATM 1272 C3A HEC A 88 35.738 -7.184 -26.976 1.00 0.00 C HETATM 1273 C4A HEC A 88 34.352 -7.481 -26.701 1.00 0.00 C HETATM 1274 CMA HEC A 88 36.529 -6.033 -26.448 1.00 0.00 C HETATM 1275 CAA HEC A 88 37.524 -8.291 -28.392 1.00 0.00 C HETATM 1276 CBA HEC A 88 37.454 -7.769 -29.827 1.00 0.00 C HETATM 1277 CGA HEC A 88 38.593 -8.377 -30.646 1.00 0.00 C HETATM 1278 O1A HEC A 88 39.271 -7.603 -31.372 1.00 0.00 O HETATM 1279 O2A HEC A 88 38.794 -9.621 -30.569 1.00 0.00 O HETATM 1280 NB HEC A 88 31.509 -8.021 -26.187 1.00 0.00 N HETATM 1281 C1B HEC A 88 32.176 -6.900 -25.765 1.00 0.00 C HETATM 1282 C2B HEC A 88 31.300 -6.013 -25.044 1.00 0.00 C HETATM 1283 C3B HEC A 88 30.060 -6.574 -25.058 1.00 0.00 C HETATM 1284 C4B HEC A 88 30.220 -7.832 -25.750 1.00 0.00 C HETATM 1285 CMB HEC A 88 31.702 -4.772 -24.317 1.00 0.00 C HETATM 1286 CAB HEC A 88 28.798 -5.769 -24.950 1.00 0.00 C HETATM 1287 CBB HEC A 88 27.528 -6.495 -25.353 1.00 0.00 C HETATM 1288 NC HEC A 88 30.511 -10.468 -26.986 1.00 0.00 N HETATM 1289 C1C HEC A 88 29.365 -9.985 -26.443 1.00 0.00 C HETATM 1290 C2C HEC A 88 28.299 -10.929 -26.504 1.00 0.00 C HETATM 1291 C3C HEC A 88 28.790 -12.042 -27.092 1.00 0.00 C HETATM 1292 C4C HEC A 88 30.170 -11.726 -27.402 1.00 0.00 C HETATM 1293 CMC HEC A 88 26.914 -10.695 -26.002 1.00 0.00 C HETATM 1294 CAC HEC A 88 28.295 -13.414 -26.811 1.00 0.00 C HETATM 1295 CBC HEC A 88 27.076 -13.739 -27.673 1.00 0.00 C HETATM 1296 ND HEC A 88 32.959 -11.111 -28.087 1.00 0.00 N HETATM 1297 C1D HEC A 88 32.325 -12.290 -28.384 1.00 0.00 C HETATM 1298 C2D HEC A 88 33.195 -13.192 -29.098 1.00 0.00 C HETATM 1299 C3D HEC A 88 34.373 -12.551 -29.244 1.00 0.00 C HETATM 1300 C4D HEC A 88 34.218 -11.267 -28.613 1.00 0.00 C HETATM 1301 CMD HEC A 88 32.858 -14.565 -29.567 1.00 0.00 C HETATM 1302 CAD HEC A 88 35.595 -13.054 -29.930 1.00 0.00 C HETATM 1303 CBD HEC A 88 35.520 -12.854 -31.442 1.00 0.00 C HETATM 1304 CGD HEC A 88 36.928 -12.613 -31.964 1.00 0.00 C HETATM 1305 O1D HEC A 88 37.427 -13.470 -32.742 1.00 0.00 O HETATM 1306 O2D HEC A 88 37.525 -11.568 -31.592 1.00 0.00 O HETATM 0 HMD3 HEC A 88 32.591 -15.186 -28.712 1.00 0.00 H new HETATM 0 HMD2 HEC A 88 32.016 -14.517 -30.258 1.00 0.00 H new HETATM 0 HMD1 HEC A 88 33.720 -14.998 -30.075 1.00 0.00 H new HETATM 0 HMC3 HEC A 88 26.945 -10.482 -24.933 1.00 0.00 H new HETATM 0 HMC2 HEC A 88 26.475 -9.847 -26.528 1.00 0.00 H new HETATM 0 HMC1 HEC A 88 26.308 -11.584 -26.177 1.00 0.00 H new HETATM 0 HMB3 HEC A 88 32.417 -5.024 -23.534 1.00 0.00 H new HETATM 0 HMB2 HEC A 88 32.161 -4.073 -25.016 1.00 0.00 H new HETATM 0 HMB1 HEC A 88 30.822 -4.311 -23.869 1.00 0.00 H new HETATM 0 HMA3 HEC A 88 37.329 -6.405 -25.807 1.00 0.00 H new HETATM 0 HMA2 HEC A 88 36.960 -5.476 -27.280 1.00 0.00 H new HETATM 0 HMA1 HEC A 88 35.877 -5.377 -25.871 1.00 0.00 H new HETATM 0 HBD2 HEC A 88 35.083 -13.731 -31.920 1.00 0.00 H new HETATM 0 HBD1 HEC A 88 34.877 -12.007 -31.681 1.00 0.00 H new HETATM 0 HBC3 HEC A 88 26.279 -13.028 -27.458 1.00 0.00 H new HETATM 0 HBC2 HEC A 88 27.347 -13.673 -28.727 1.00 0.00 H new HETATM 0 HBC1 HEC A 88 26.731 -14.749 -27.450 1.00 0.00 H new HETATM 0 HBB3 HEC A 88 27.604 -6.811 -26.393 1.00 0.00 H new HETATM 0 HBB2 HEC A 88 27.391 -7.370 -24.717 1.00 0.00 H new HETATM 0 HBB1 HEC A 88 26.675 -5.826 -25.239 1.00 0.00 H new HETATM 0 HBA2 HEC A 88 36.493 -8.027 -30.273 1.00 0.00 H new HETATM 0 HBA1 HEC A 88 37.527 -6.681 -29.834 1.00 0.00 H new HETATM 0 HAD2 HEC A 88 36.471 -12.537 -29.538 1.00 0.00 H new HETATM 0 HAD1 HEC A 88 35.725 -14.113 -29.710 1.00 0.00 H new HETATM 0 HAA2 HEC A 88 38.257 -7.715 -27.826 1.00 0.00 H new HETATM 0 HAA1 HEC A 88 37.864 -9.327 -28.393 1.00 0.00 H new HETATM 0 HHD HEC A 88 30.632 -13.546 -28.349 1.00 0.00 H new HETATM 0 HHC HEC A 88 28.246 -8.500 -25.496 1.00 0.00 H new HETATM 0 HHB HEC A 88 33.925 -5.715 -25.632 1.00 0.00 H new HETATM 0 HHA HEC A 88 36.170 -10.572 -28.988 1.00 0.00 H new HETATM 0 H2D HEC A 88 38.022 -11.189 -32.347 1.00 0.00 H new HETATM 0 H2A HEC A 88 38.008 -10.101 -30.905 1.00 0.00 H new