USER MOD reduce.3.24.130724 H: found=0, std=0, add=772, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 659 hydrogens (20 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 12 SER H : A 12 SER N : A 110 RCY O1H :(H bumps) USER MOD NoAdj-H: A 13 ALA H : A 13 ALA N : A 110 RCY C1W :(H bumps) USER MOD NoAdj-H: A 34 GLNHE21 : A 34 GLN NE2 : A 130 RCY C1P :(H bumps) USER MOD NoAdj-H: A 34 GLNHE22 : A 34 GLN NE2 : A 130 RCY N1R :(H bumps) USER MOD NoAdj-H: A 110 RCYH1YB : A 110 RCY C1Y : A 13 ALA CA :(H bumps) USER MOD NoAdj-H: A 110 RCYH1YA : A 110 RCY C1Y : A 13 ALA C :(H bumps) USER MOD NoAdj-H: A 110 RCYH1VB : A 110 RCY C1V : A 12 SER C :(H bumps) USER MOD NoAdj-H: A 110 RCYH1VA : A 110 RCY C1V : A 12 SER O :(H bumps) USER MOD NoAdj-H: A 110 RCYH1SA : A 110 RCY C1S : A 10 CYS SG :(H bumps) USER MOD NoAdj-H: A 110 RCYH1CB : A 110 RCY C1C : A 12 SER CA :(H bumps) USER MOD NoAdj-H: A 110 RCY H1Y : A 110 RCY C1Y : A 13 ALA C :(H bumps) USER MOD NoAdj-H: A 110 RCY H1V : A 110 RCY C1V : A 12 SER C :(H bumps) USER MOD NoAdj-H: A 110 RCY H1U : A 110 RCY C1U : A 12 SER CB :(H bumps) USER MOD NoAdj-H: A 110 RCY H1M : A 110 RCY C1M : A 13 ALA N :(H bumps) USER MOD NoAdj-H: A 121 RCYH1SA : A 121 RCY C1S : A 21 CYS SG :(H bumps) USER MOD NoAdj-H: A 121 RCYH1CB : A 121 RCY C1C : A 18 GLY C :(H bumps) USER MOD NoAdj-H: A 121 RCY H1Z : A 121 RCY C1Z : A 13 ALA O :(H bumps) USER MOD NoAdj-H: A 121 RCY H1U : A 121 RCY C1U : A 17 MET O :(H bumps) USER MOD NoAdj-H: A 130 RCYH1VA : A 130 RCY C1V : A 60 CYS SG :(H bumps) USER MOD NoAdj-H: A 130 RCYH1SA : A 130 RCY C1S : A 30 CYS SG :(H bumps) USER MOD NoAdj-H: A 130 RCY H1V : A 130 RCY C1V : A 60 CYS SG :(H bumps) USER MOD NoAdj-H: A 138 RCYH1ZA : A 138 RCY C1Z : A 150 RCY C1M :(H bumps) USER MOD NoAdj-H: A 138 RCYH1YB : A 138 RCY C1Y : A 150 RCY C1Y :(H bumps) USER MOD NoAdj-H: A 138 RCYH1YA : A 138 RCY C1Y : A 150 RCY C1Y :(H bumps) USER MOD NoAdj-H: A 138 RCYH1VA : A 138 RCY C1V : A 150 RCY C1V :(H bumps) USER MOD NoAdj-H: A 138 RCYH1SA : A 138 RCY C1S : A 38 CYS SG :(H bumps) USER MOD NoAdj-H: A 138 RCY H1Z : A 138 RCY C1Z : A 150 RCY C1M :(H bumps) USER MOD NoAdj-H: A 138 RCY H1Y : A 138 RCY C1Y : A 150 RCY C1W :(H bumps) USER MOD NoAdj-H: A 150 RCYH1YB : A 150 RCY C1Y : A 138 RCY C1Y :(H bumps) USER MOD NoAdj-H: A 150 RCYH1YA : A 150 RCY C1Y : A 138 RCY C1Y :(H bumps) USER MOD NoAdj-H: A 150 RCYH1VB : A 150 RCY C1V : A 138 RCY C1X :(H bumps) USER MOD NoAdj-H: A 150 RCYH1SA : A 150 RCY C1S : A 50 CYS SG :(H bumps) USER MOD NoAdj-H: A 150 RCYH1MA : A 150 RCY C1M : A 138 RCY C1Z :(H bumps) USER MOD NoAdj-H: A 150 RCY H1V : A 150 RCY C1V : A 138 RCY C1V :(H bumps) USER MOD NoAdj-H: A 150 RCY H1U : A 150 RCY C1U : A 138 RCY N1V :(H bumps) USER MOD NoAdj-H: A 150 RCY H1M : A 150 RCY C1M : A 138 RCY C1M :(H bumps) USER MOD NoAdj-H: A 160 RCYH1SA : A 160 RCY C1S : A 60 CYS SG :(H bumps) USER MOD NoAdj-H: A 160 RCYH1LA : A 160 RCY C1L : A 130 RCY O1J :(H bumps) USER MOD NoAdj-H: A 168 RCYH1ZB : A 168 RCY C1Z : A 187 RCY C1X :(H bumps) USER MOD NoAdj-H: A 168 RCYH1ZA : A 168 RCY C1Z : A 187 RCY C1X :(H bumps) USER MOD NoAdj-H: A 168 RCYH1VB : A 168 RCY C1V : A 69 PRO CD :(H bumps) USER MOD NoAdj-H: A 168 RCYH1VA : A 168 RCY C1V : A 173 RCY C1V :(H bumps) USER MOD NoAdj-H: A 168 RCYH1SA : A 168 RCY C1S : A 68 CYS SG :(H bumps) USER MOD NoAdj-H: A 168 RCYH1CA : A 168 RCY C1C : A 173 RCY C1M :(H bumps) USER MOD NoAdj-H: A 168 RCY H1Z : A 168 RCY C1Z : A 187 RCY C1X :(H bumps) USER MOD NoAdj-H: A 168 RCY H1V : A 168 RCY C1V : A 69 PRO CG :(H bumps) USER MOD NoAdj-H: A 168 RCY H1C : A 168 RCY C1C : A 173 RCY C1M :(H bumps) USER MOD NoAdj-H: A 173 RCYH1YA : A 173 RCY C1Y : A 187 RCY C1Z :(H bumps) USER MOD NoAdj-H: A 173 RCYH1VB : A 173 RCY C1V : A 168 RCY C1X :(H bumps) USER MOD NoAdj-H: A 173 RCYH1VA : A 173 RCY C1V : A 168 RCY N1V :(H bumps) USER MOD NoAdj-H: A 173 RCYH1SA : A 173 RCY C1S : A 73 CYS SG :(H bumps) USER MOD NoAdj-H: A 173 RCY H1V : A 173 RCY C1V : A 168 RCY C1X :(H bumps) USER MOD NoAdj-H: A 173 RCY H1U : A 173 RCY C1U : A 168 RCY C1C :(H bumps) USER MOD NoAdj-H: A 173 RCY H1M : A 173 RCY C1M : A 168 RCY C1C :(H bumps) USER MOD NoAdj-H: A 176 RCYH1SA : A 176 RCY C1S : A 76 CYS SG :(H bumps) USER MOD NoAdj-H: A 187 RCYH1ZB : A 187 RCY C1Z : A 168 RCY N1V :(H bumps) USER MOD NoAdj-H: A 187 RCYH1SA : A 187 RCY C1S : A 87 CYS SG :(H bumps) USER MOD NoAdj-H: A 187 RCY H1Z : A 187 RCY C1Z : A 173 RCY C1Y :(H bumps) USER MOD NoAdj-H: A 187 RCY H1U : A 187 RCY C1U : A 168 RCY C1Z :(H bumps) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -100:sc= -0.649 (180deg=-1.96!) USER MOD Single : A 2 ASN :FLIP amide:sc= -0.482 F(o=-1.9,f=-0.48) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot -68:sc= 1.11 USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc=-0.00491 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 GLN : amide:sc= -4.64! C(o=-4.6!,f=-5!) USER MOD Single : A 35 THR OG1 : rot -53:sc= -0.937! USER MOD Single : A 37 GLN :FLIP amide:sc= 0 F(o=-1,f=0) USER MOD Single : A 39 LYS NZ :NH3+ -142:sc= -4.22! (180deg=-5.2!) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 166:sc= -2.86! (180deg=-4.41!) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 159:sc= -0.0294 (180deg=-0.404) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=-0.024) USER MOD Single : A 57 MET CE :methyl -163:sc= -0.274 (180deg=-0.978) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0.00285 USER MOD Single : A 65 THR OG1 : rot -50:sc= 1.3 USER MOD Single : A 74 ASN : amide:sc= -4.16 K(o=-4.2,f=-12!) USER MOD Single : A 75 HIS : no HD1:sc= -5.24! C(o=-5.2!,f=-7.1!) USER MOD Single : A 79 HIS : no HE2:sc= -1.32 K(o=-1.3,f=-3!) USER MOD Single : A 83 GLN : amide:sc= -1 X(o=-1,f=-1.4!) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 55.791 -14.162 7.562 1.00 1.00 N ATOM 2 CA MET A 1 56.085 -15.472 8.210 1.00 1.00 C ATOM 3 C MET A 1 55.653 -16.608 7.279 1.00 1.00 C ATOM 4 O MET A 1 56.298 -17.635 7.197 1.00 1.00 O ATOM 5 CB MET A 1 55.318 -15.571 9.532 1.00 1.00 C ATOM 6 CG MET A 1 53.908 -15.007 9.349 1.00 1.00 C ATOM 7 SD MET A 1 53.974 -13.198 9.374 1.00 1.00 S ATOM 8 CE MET A 1 53.842 -12.991 11.167 1.00 1.00 C ATOM 0 H1 MET A 1 56.662 -13.779 7.143 1.00 1.00 H new ATOM 0 H2 MET A 1 55.078 -14.296 6.816 1.00 1.00 H new ATOM 0 H3 MET A 1 55.427 -13.497 8.274 1.00 1.00 H new ATOM 0 HA MET A 1 57.154 -15.551 8.406 1.00 1.00 H new ATOM 0 HB2 MET A 1 55.266 -16.610 9.857 1.00 1.00 H new ATOM 0 HB3 MET A 1 55.843 -15.019 10.311 1.00 1.00 H new ATOM 0 HG2 MET A 1 53.486 -15.353 8.406 1.00 1.00 H new ATOM 0 HG3 MET A 1 53.254 -15.369 10.143 1.00 1.00 H new ATOM 0 HE1 MET A 1 53.863 -11.929 11.413 1.00 1.00 H new ATOM 0 HE2 MET A 1 52.905 -13.426 11.516 1.00 1.00 H new ATOM 0 HE3 MET A 1 54.678 -13.493 11.654 1.00 1.00 H new ATOM 17 N ASN A 2 54.568 -16.432 6.577 1.00 1.00 N ATOM 18 CA ASN A 2 54.096 -17.501 5.652 1.00 1.00 C ATOM 19 C ASN A 2 53.102 -16.906 4.653 1.00 1.00 C ATOM 20 O ASN A 2 52.344 -17.615 4.019 1.00 1.00 O ATOM 21 CB ASN A 2 53.414 -18.610 6.458 1.00 1.00 C ATOM 22 CG ASN A 2 52.489 -17.986 7.505 1.00 1.00 C ATOM 23 OD1 ASN A 2 52.961 -17.699 8.687 1.00 1.00 O flip ATOM 24 ND2 ASN A 2 51.325 -17.757 7.244 1.00 1.00 N flip ATOM 0 H ASN A 2 53.987 -15.594 6.604 1.00 1.00 H new ATOM 0 HA ASN A 2 54.946 -17.918 5.112 1.00 1.00 H new ATOM 0 HB2 ASN A 2 52.843 -19.258 5.793 1.00 1.00 H new ATOM 0 HB3 ASN A 2 54.164 -19.234 6.945 1.00 1.00 H new ATOM 0 HD21 ASN A 2 50.956 -17.981 6.320 1.00 1.00 H new ATOM 0 HD22 ASN A 2 50.717 -17.340 7.949 1.00 1.00 H new ATOM 31 N LEU A 3 53.100 -15.608 4.507 1.00 1.00 N ATOM 32 CA LEU A 3 52.158 -14.958 3.549 1.00 1.00 C ATOM 33 C LEU A 3 52.880 -13.806 2.844 1.00 1.00 C ATOM 34 O LEU A 3 52.487 -13.370 1.780 1.00 1.00 O ATOM 35 CB LEU A 3 50.939 -14.421 4.319 1.00 1.00 C ATOM 36 CG LEU A 3 49.654 -14.961 3.688 1.00 1.00 C ATOM 37 CD1 LEU A 3 48.474 -14.693 4.623 1.00 1.00 C ATOM 38 CD2 LEU A 3 49.412 -14.260 2.349 1.00 1.00 C ATOM 0 H LEU A 3 53.712 -14.967 5.012 1.00 1.00 H new ATOM 0 HA LEU A 3 51.821 -15.682 2.807 1.00 1.00 H new ATOM 0 HB2 LEU A 3 50.996 -14.721 5.365 1.00 1.00 H new ATOM 0 HB3 LEU A 3 50.935 -13.331 4.300 1.00 1.00 H new ATOM 0 HG LEU A 3 49.752 -16.034 3.526 1.00 1.00 H new ATOM 0 HD11 LEU A 3 47.559 -15.078 4.173 1.00 1.00 H new ATOM 0 HD12 LEU A 3 48.646 -15.190 5.578 1.00 1.00 H new ATOM 0 HD13 LEU A 3 48.375 -13.620 4.786 1.00 1.00 H new ATOM 0 HD21 LEU A 3 48.497 -14.643 1.898 1.00 1.00 H new ATOM 0 HD22 LEU A 3 49.314 -13.187 2.513 1.00 1.00 H new ATOM 0 HD23 LEU A 3 50.253 -14.450 1.682 1.00 1.00 H new ATOM 50 N GLU A 4 53.939 -13.314 3.428 1.00 1.00 N ATOM 51 CA GLU A 4 54.692 -12.196 2.794 1.00 1.00 C ATOM 52 C GLU A 4 55.345 -12.704 1.503 1.00 1.00 C ATOM 53 O GLU A 4 55.668 -13.870 1.389 1.00 1.00 O ATOM 54 CB GLU A 4 55.775 -11.707 3.761 1.00 1.00 C ATOM 55 CG GLU A 4 56.722 -12.861 4.095 1.00 1.00 C ATOM 56 CD GLU A 4 57.766 -13.003 2.985 1.00 1.00 C ATOM 57 OE1 GLU A 4 58.289 -11.987 2.557 1.00 1.00 O ATOM 58 OE2 GLU A 4 58.024 -14.125 2.582 1.00 1.00 O ATOM 0 H GLU A 4 54.315 -13.639 4.319 1.00 1.00 H new ATOM 0 HA GLU A 4 54.015 -11.373 2.562 1.00 1.00 H new ATOM 0 HB2 GLU A 4 56.332 -10.884 3.313 1.00 1.00 H new ATOM 0 HB3 GLU A 4 55.317 -11.323 4.673 1.00 1.00 H new ATOM 0 HG2 GLU A 4 57.214 -12.677 5.050 1.00 1.00 H new ATOM 0 HG3 GLU A 4 56.159 -13.788 4.200 1.00 1.00 H new ATOM 65 N PRO A 5 55.539 -11.842 0.536 1.00 1.00 N ATOM 66 CA PRO A 5 56.163 -12.220 -0.759 1.00 1.00 C ATOM 67 C PRO A 5 57.275 -13.268 -0.580 1.00 1.00 C ATOM 68 O PRO A 5 58.084 -13.167 0.321 1.00 1.00 O ATOM 69 CB PRO A 5 56.738 -10.897 -1.260 1.00 1.00 C ATOM 70 CG PRO A 5 55.821 -9.849 -0.717 1.00 1.00 C ATOM 71 CD PRO A 5 55.194 -10.412 0.566 1.00 1.00 C ATOM 0 HA PRO A 5 55.454 -12.679 -1.448 1.00 1.00 H new ATOM 0 HB2 PRO A 5 57.759 -10.751 -0.906 1.00 1.00 H new ATOM 0 HB3 PRO A 5 56.771 -10.868 -2.349 1.00 1.00 H new ATOM 0 HG2 PRO A 5 56.369 -8.931 -0.506 1.00 1.00 H new ATOM 0 HG3 PRO A 5 55.049 -9.599 -1.445 1.00 1.00 H new ATOM 0 HD2 PRO A 5 55.596 -9.923 1.454 1.00 1.00 H new ATOM 0 HD3 PRO A 5 54.114 -10.263 0.581 1.00 1.00 H new ATOM 79 N PRO A 6 57.315 -14.271 -1.425 1.00 1.00 N ATOM 80 CA PRO A 6 58.345 -15.348 -1.341 1.00 1.00 C ATOM 81 C PRO A 6 59.712 -14.891 -1.862 1.00 1.00 C ATOM 82 O PRO A 6 59.825 -14.343 -2.941 1.00 1.00 O ATOM 83 CB PRO A 6 57.774 -16.453 -2.232 1.00 1.00 C ATOM 84 CG PRO A 6 56.945 -15.735 -3.246 1.00 1.00 C ATOM 85 CD PRO A 6 56.391 -14.488 -2.550 1.00 1.00 C ATOM 0 HA PRO A 6 58.525 -15.661 -0.312 1.00 1.00 H new ATOM 0 HB2 PRO A 6 58.569 -17.029 -2.707 1.00 1.00 H new ATOM 0 HB3 PRO A 6 57.173 -17.155 -1.655 1.00 1.00 H new ATOM 0 HG2 PRO A 6 57.545 -15.461 -4.114 1.00 1.00 H new ATOM 0 HG3 PRO A 6 56.136 -16.370 -3.606 1.00 1.00 H new ATOM 0 HD2 PRO A 6 56.372 -13.630 -3.222 1.00 1.00 H new ATOM 0 HD3 PRO A 6 55.369 -14.644 -2.204 1.00 1.00 H new ATOM 93 N LYS A 7 60.752 -15.121 -1.107 1.00 1.00 N ATOM 94 CA LYS A 7 62.110 -14.710 -1.563 1.00 1.00 C ATOM 95 C LYS A 7 62.726 -15.843 -2.384 1.00 1.00 C ATOM 96 O LYS A 7 63.603 -15.630 -3.198 1.00 1.00 O ATOM 97 CB LYS A 7 62.997 -14.417 -0.348 1.00 1.00 C ATOM 98 CG LYS A 7 62.793 -15.501 0.712 1.00 1.00 C ATOM 99 CD LYS A 7 61.717 -15.051 1.702 1.00 1.00 C ATOM 100 CE LYS A 7 62.356 -14.198 2.800 1.00 1.00 C ATOM 101 NZ LYS A 7 61.298 -13.705 3.726 1.00 1.00 N ATOM 0 H LYS A 7 60.720 -15.576 -0.194 1.00 1.00 H new ATOM 0 HA LYS A 7 62.033 -13.811 -2.175 1.00 1.00 H new ATOM 0 HB2 LYS A 7 64.044 -14.382 -0.650 1.00 1.00 H new ATOM 0 HB3 LYS A 7 62.752 -13.439 0.066 1.00 1.00 H new ATOM 0 HG2 LYS A 7 62.497 -16.437 0.238 1.00 1.00 H new ATOM 0 HG3 LYS A 7 63.729 -15.691 1.237 1.00 1.00 H new ATOM 0 HD2 LYS A 7 60.948 -14.478 1.184 1.00 1.00 H new ATOM 0 HD3 LYS A 7 61.226 -15.920 2.141 1.00 1.00 H new ATOM 0 HE2 LYS A 7 63.091 -14.786 3.350 1.00 1.00 H new ATOM 0 HE3 LYS A 7 62.888 -13.356 2.358 1.00 1.00 H new ATOM 0 HZ1 LYS A 7 61.732 -13.125 4.472 1.00 1.00 H new ATOM 0 HZ2 LYS A 7 60.613 -13.130 3.196 1.00 1.00 H new ATOM 0 HZ3 LYS A 7 60.809 -14.515 4.158 1.00 1.00 H new ATOM 115 N ALA A 8 62.267 -17.046 -2.175 1.00 1.00 N ATOM 116 CA ALA A 8 62.814 -18.204 -2.938 1.00 1.00 C ATOM 117 C ALA A 8 64.341 -18.107 -2.999 1.00 1.00 C ATOM 118 O ALA A 8 65.019 -18.239 -2.000 1.00 1.00 O ATOM 119 CB ALA A 8 62.243 -18.194 -4.358 1.00 1.00 C ATOM 0 H ALA A 8 61.533 -17.278 -1.506 1.00 1.00 H new ATOM 0 HA ALA A 8 62.532 -19.131 -2.439 1.00 1.00 H new ATOM 0 HB1 ALA A 8 62.642 -19.040 -4.917 1.00 1.00 H new ATOM 0 HB2 ALA A 8 61.156 -18.269 -4.314 1.00 1.00 H new ATOM 0 HB3 ALA A 8 62.523 -17.266 -4.856 1.00 1.00 H new ATOM 125 N GLU A 9 64.884 -17.876 -4.165 1.00 1.00 N ATOM 126 CA GLU A 9 66.366 -17.767 -4.300 1.00 1.00 C ATOM 127 C GLU A 9 66.709 -16.510 -5.100 1.00 1.00 C ATOM 128 O GLU A 9 67.859 -16.141 -5.234 1.00 1.00 O ATOM 129 CB GLU A 9 66.905 -18.998 -5.033 1.00 1.00 C ATOM 130 CG GLU A 9 66.884 -20.203 -4.091 1.00 1.00 C ATOM 131 CD GLU A 9 68.026 -20.082 -3.080 1.00 1.00 C ATOM 132 OE1 GLU A 9 69.169 -20.088 -3.504 1.00 1.00 O ATOM 133 OE2 GLU A 9 67.737 -19.984 -1.898 1.00 1.00 O ATOM 0 H GLU A 9 64.362 -17.758 -5.033 1.00 1.00 H new ATOM 0 HA GLU A 9 66.819 -17.707 -3.310 1.00 1.00 H new ATOM 0 HB2 GLU A 9 66.299 -19.203 -5.916 1.00 1.00 H new ATOM 0 HB3 GLU A 9 67.921 -18.812 -5.380 1.00 1.00 H new ATOM 0 HG2 GLU A 9 65.928 -20.254 -3.571 1.00 1.00 H new ATOM 0 HG3 GLU A 9 66.986 -21.126 -4.662 1.00 1.00 H new ATOM 140 N CYS A 10 65.720 -15.847 -5.633 1.00 1.00 N ATOM 141 CA CYS A 10 65.989 -14.614 -6.423 1.00 1.00 C ATOM 142 C CYS A 10 66.514 -13.518 -5.493 1.00 1.00 C ATOM 143 O CYS A 10 67.340 -13.762 -4.636 1.00 1.00 O ATOM 144 CB CYS A 10 64.695 -14.141 -7.090 1.00 1.00 C ATOM 145 SG CYS A 10 65.094 -13.013 -8.448 1.00 1.00 S ATOM 0 H CYS A 10 64.737 -16.107 -5.555 1.00 1.00 H new ATOM 0 HA CYS A 10 66.734 -14.829 -7.189 1.00 1.00 H new ATOM 0 HB2 CYS A 10 64.134 -14.996 -7.466 1.00 1.00 H new ATOM 0 HB3 CYS A 10 64.060 -13.639 -6.360 1.00 1.00 H new ATOM 150 N ARG A 11 66.041 -12.313 -5.656 1.00 1.00 N ATOM 151 CA ARG A 11 66.513 -11.203 -4.782 1.00 1.00 C ATOM 152 C ARG A 11 65.677 -9.952 -5.062 1.00 1.00 C ATOM 153 O ARG A 11 65.753 -8.969 -4.353 1.00 1.00 O ATOM 154 CB ARG A 11 67.992 -10.923 -5.077 1.00 1.00 C ATOM 155 CG ARG A 11 68.462 -9.721 -4.256 1.00 1.00 C ATOM 156 CD ARG A 11 68.121 -9.944 -2.781 1.00 1.00 C ATOM 157 NE ARG A 11 68.255 -11.392 -2.455 1.00 1.00 N ATOM 158 CZ ARG A 11 67.760 -11.857 -1.340 1.00 1.00 C ATOM 159 NH1 ARG A 11 67.149 -11.055 -0.512 1.00 1.00 N ATOM 160 NH2 ARG A 11 67.877 -13.125 -1.054 1.00 1.00 N ATOM 0 H ARG A 11 65.348 -12.049 -6.357 1.00 1.00 H new ATOM 0 HA ARG A 11 66.403 -11.481 -3.734 1.00 1.00 H new ATOM 0 HB2 ARG A 11 68.594 -11.799 -4.834 1.00 1.00 H new ATOM 0 HB3 ARG A 11 68.130 -10.726 -6.140 1.00 1.00 H new ATOM 0 HG2 ARG A 11 69.537 -9.584 -4.375 1.00 1.00 H new ATOM 0 HG3 ARG A 11 67.983 -8.811 -4.617 1.00 1.00 H new ATOM 0 HD2 ARG A 11 68.786 -9.355 -2.150 1.00 1.00 H new ATOM 0 HD3 ARG A 11 67.105 -9.606 -2.576 1.00 1.00 H new ATOM 0 HE ARG A 11 68.733 -12.019 -3.102 1.00 1.00 H new ATOM 0 HH11 ARG A 11 67.058 -10.064 -0.736 1.00 1.00 H new ATOM 0 HH12 ARG A 11 66.762 -11.419 0.359 1.00 1.00 H new ATOM 0 HH21 ARG A 11 68.355 -13.752 -1.701 1.00 1.00 H new ATOM 0 HH22 ARG A 11 67.491 -13.489 -0.183 1.00 1.00 H new ATOM 174 N SER A 12 64.874 -9.985 -6.091 1.00 1.00 N ATOM 175 CA SER A 12 64.030 -8.802 -6.419 1.00 1.00 C ATOM 176 C SER A 12 63.102 -8.490 -5.242 1.00 1.00 C ATOM 177 O SER A 12 63.535 -8.354 -4.115 1.00 1.00 O ATOM 178 CB SER A 12 63.192 -9.106 -7.662 1.00 1.00 C ATOM 179 OG SER A 12 64.043 -9.576 -8.698 1.00 1.00 O ATOM 0 HA SER A 12 64.671 -7.941 -6.611 1.00 1.00 H new ATOM 0 HB2 SER A 12 62.435 -9.855 -7.430 1.00 1.00 H new ATOM 0 HB3 SER A 12 62.665 -8.209 -7.987 1.00 1.00 H new ATOM 185 N ALA A 13 61.827 -8.372 -5.494 1.00 1.00 N ATOM 186 CA ALA A 13 60.875 -8.065 -4.389 1.00 1.00 C ATOM 187 C ALA A 13 61.299 -6.767 -3.700 1.00 1.00 C ATOM 188 O ALA A 13 61.679 -6.762 -2.546 1.00 1.00 O ATOM 189 CB ALA A 13 60.884 -9.210 -3.374 1.00 1.00 C ATOM 0 HA ALA A 13 59.870 -7.950 -4.795 1.00 1.00 H new ATOM 0 HB1 ALA A 13 60.188 -8.985 -2.566 1.00 1.00 H new ATOM 0 HB2 ALA A 13 60.583 -10.135 -3.866 1.00 1.00 H new ATOM 0 HB3 ALA A 13 61.888 -9.327 -2.966 1.00 1.00 H new ATOM 195 N THR A 14 61.239 -5.666 -4.401 1.00 1.00 N ATOM 196 CA THR A 14 61.639 -4.363 -3.793 1.00 1.00 C ATOM 197 C THR A 14 60.617 -3.290 -4.175 1.00 1.00 C ATOM 198 O THR A 14 60.920 -2.357 -4.893 1.00 1.00 O ATOM 199 CB THR A 14 63.021 -3.962 -4.313 1.00 1.00 C ATOM 200 OG1 THR A 14 63.259 -2.594 -4.012 1.00 1.00 O ATOM 201 CG2 THR A 14 63.079 -4.171 -5.827 1.00 1.00 C ATOM 0 H THR A 14 60.929 -5.613 -5.371 1.00 1.00 H new ATOM 0 HA THR A 14 61.675 -4.461 -2.708 1.00 1.00 H new ATOM 0 HB THR A 14 63.783 -4.578 -3.835 1.00 1.00 H new ATOM 0 HG1 THR A 14 62.654 -2.033 -4.540 1.00 1.00 H new ATOM 0 HG21 THR A 14 64.064 -3.885 -6.196 1.00 1.00 H new ATOM 0 HG22 THR A 14 62.896 -5.221 -6.057 1.00 1.00 H new ATOM 0 HG23 THR A 14 62.318 -3.556 -6.309 1.00 1.00 H new ATOM 209 N ARG A 15 59.408 -3.417 -3.702 1.00 1.00 N ATOM 210 CA ARG A 15 58.363 -2.409 -4.037 1.00 1.00 C ATOM 211 C ARG A 15 57.298 -2.407 -2.936 1.00 1.00 C ATOM 212 O ARG A 15 56.270 -1.772 -3.055 1.00 1.00 O ATOM 213 CB ARG A 15 57.719 -2.776 -5.387 1.00 1.00 C ATOM 214 CG ARG A 15 57.855 -1.602 -6.359 1.00 1.00 C ATOM 215 CD ARG A 15 56.768 -0.567 -6.065 1.00 1.00 C ATOM 216 NE ARG A 15 55.533 -0.915 -6.822 1.00 1.00 N ATOM 217 CZ ARG A 15 54.547 -1.520 -6.218 1.00 1.00 C ATOM 218 NH1 ARG A 15 54.643 -1.820 -4.951 1.00 1.00 N ATOM 219 NH2 ARG A 15 53.465 -1.825 -6.880 1.00 1.00 N ATOM 0 H ARG A 15 59.098 -4.177 -3.097 1.00 1.00 H new ATOM 0 HA ARG A 15 58.810 -1.418 -4.110 1.00 1.00 H new ATOM 0 HB2 ARG A 15 58.200 -3.662 -5.802 1.00 1.00 H new ATOM 0 HB3 ARG A 15 56.667 -3.022 -5.244 1.00 1.00 H new ATOM 0 HG2 ARG A 15 58.841 -1.147 -6.261 1.00 1.00 H new ATOM 0 HG3 ARG A 15 57.767 -1.955 -7.387 1.00 1.00 H new ATOM 0 HD2 ARG A 15 56.557 -0.540 -4.996 1.00 1.00 H new ATOM 0 HD3 ARG A 15 57.112 0.428 -6.347 1.00 1.00 H new ATOM 0 HE ARG A 15 55.458 -0.681 -7.812 1.00 1.00 H new ATOM 0 HH11 ARG A 15 55.489 -1.581 -4.433 1.00 1.00 H new ATOM 0 HH12 ARG A 15 53.872 -2.293 -4.479 1.00 1.00 H new ATOM 0 HH21 ARG A 15 53.390 -1.591 -7.870 1.00 1.00 H new ATOM 0 HH22 ARG A 15 52.694 -2.298 -6.408 1.00 1.00 H new ATOM 233 N VAL A 16 57.538 -3.115 -1.864 1.00 1.00 N ATOM 234 CA VAL A 16 56.541 -3.157 -0.755 1.00 1.00 C ATOM 235 C VAL A 16 57.268 -3.110 0.591 1.00 1.00 C ATOM 236 O VAL A 16 56.843 -2.439 1.509 1.00 1.00 O ATOM 237 CB VAL A 16 55.728 -4.449 -0.850 1.00 1.00 C ATOM 238 CG1 VAL A 16 54.706 -4.495 0.288 1.00 1.00 C ATOM 239 CG2 VAL A 16 54.996 -4.492 -2.193 1.00 1.00 C ATOM 0 H VAL A 16 58.382 -3.666 -1.709 1.00 1.00 H new ATOM 0 HA VAL A 16 55.873 -2.299 -0.836 1.00 1.00 H new ATOM 0 HB VAL A 16 56.397 -5.306 -0.772 1.00 1.00 H new ATOM 0 HG11 VAL A 16 54.127 -5.416 0.220 1.00 1.00 H new ATOM 0 HG12 VAL A 16 55.226 -4.463 1.245 1.00 1.00 H new ATOM 0 HG13 VAL A 16 54.036 -3.639 0.210 1.00 1.00 H new ATOM 0 HG21 VAL A 16 54.416 -5.412 -2.262 1.00 1.00 H new ATOM 0 HG22 VAL A 16 54.327 -3.635 -2.270 1.00 1.00 H new ATOM 0 HG23 VAL A 16 55.723 -4.459 -3.005 1.00 1.00 H new ATOM 249 N MET A 17 58.360 -3.817 0.714 1.00 1.00 N ATOM 250 CA MET A 17 59.120 -3.818 2.000 1.00 1.00 C ATOM 251 C MET A 17 60.148 -4.955 1.972 1.00 1.00 C ATOM 252 O MET A 17 61.293 -4.760 1.618 1.00 1.00 O ATOM 253 CB MET A 17 58.150 -4.024 3.181 1.00 1.00 C ATOM 254 CG MET A 17 57.976 -2.706 3.939 1.00 1.00 C ATOM 255 SD MET A 17 59.218 -2.596 5.251 1.00 1.00 S ATOM 256 CE MET A 17 58.236 -1.612 6.410 1.00 1.00 C ATOM 0 H MET A 17 58.761 -4.397 -0.024 1.00 1.00 H new ATOM 0 HA MET A 17 59.630 -2.863 2.124 1.00 1.00 H new ATOM 0 HB2 MET A 17 57.185 -4.375 2.815 1.00 1.00 H new ATOM 0 HB3 MET A 17 58.535 -4.792 3.851 1.00 1.00 H new ATOM 0 HG2 MET A 17 58.079 -1.864 3.254 1.00 1.00 H new ATOM 0 HG3 MET A 17 56.975 -2.649 4.366 1.00 1.00 H new ATOM 0 HE1 MET A 17 58.819 -1.422 7.311 1.00 1.00 H new ATOM 0 HE2 MET A 17 57.967 -0.664 5.945 1.00 1.00 H new ATOM 0 HE3 MET A 17 57.330 -2.157 6.673 1.00 1.00 H new ATOM 266 N GLY A 18 59.745 -6.143 2.342 1.00 1.00 N ATOM 267 CA GLY A 18 60.693 -7.295 2.339 1.00 1.00 C ATOM 268 C GLY A 18 60.447 -8.158 3.579 1.00 1.00 C ATOM 269 O GLY A 18 61.253 -8.201 4.487 1.00 1.00 O ATOM 0 H GLY A 18 58.797 -6.365 2.647 1.00 1.00 H new ATOM 0 HA2 GLY A 18 60.557 -7.890 1.436 1.00 1.00 H new ATOM 0 HA3 GLY A 18 61.721 -6.934 2.332 1.00 1.00 H new ATOM 273 N GLY A 19 59.337 -8.844 3.626 1.00 1.00 N ATOM 274 CA GLY A 19 59.040 -9.700 4.809 1.00 1.00 C ATOM 275 C GLY A 19 59.045 -8.841 6.074 1.00 1.00 C ATOM 276 O GLY A 19 59.189 -7.636 6.014 1.00 1.00 O ATOM 0 H GLY A 19 58.624 -8.848 2.897 1.00 1.00 H new ATOM 0 HA2 GLY A 19 58.070 -10.182 4.688 1.00 1.00 H new ATOM 0 HA3 GLY A 19 59.782 -10.494 4.893 1.00 1.00 H new ATOM 280 N PRO A 20 58.889 -9.461 7.213 1.00 1.00 N ATOM 281 CA PRO A 20 58.875 -8.750 8.522 1.00 1.00 C ATOM 282 C PRO A 20 60.000 -7.715 8.628 1.00 1.00 C ATOM 283 O PRO A 20 61.151 -8.054 8.821 1.00 1.00 O ATOM 284 CB PRO A 20 59.075 -9.875 9.540 1.00 1.00 C ATOM 285 CG PRO A 20 58.520 -11.097 8.886 1.00 1.00 C ATOM 286 CD PRO A 20 58.708 -10.913 7.377 1.00 1.00 C ATOM 0 HA PRO A 20 57.955 -8.185 8.674 1.00 1.00 H new ATOM 0 HB2 PRO A 20 60.130 -10.003 9.783 1.00 1.00 H new ATOM 0 HB3 PRO A 20 58.556 -9.658 10.474 1.00 1.00 H new ATOM 0 HG2 PRO A 20 59.037 -11.991 9.234 1.00 1.00 H new ATOM 0 HG3 PRO A 20 57.466 -11.223 9.132 1.00 1.00 H new ATOM 0 HD2 PRO A 20 59.573 -11.466 7.013 1.00 1.00 H new ATOM 0 HD3 PRO A 20 57.842 -11.272 6.821 1.00 1.00 H new ATOM 294 N CYS A 21 59.675 -6.456 8.496 1.00 1.00 N ATOM 295 CA CYS A 21 60.722 -5.397 8.583 1.00 1.00 C ATOM 296 C CYS A 21 60.191 -4.223 9.411 1.00 1.00 C ATOM 297 O CYS A 21 59.365 -3.456 8.958 1.00 1.00 O ATOM 298 CB CYS A 21 61.075 -4.915 7.171 1.00 1.00 C ATOM 299 SG CYS A 21 62.802 -5.318 6.810 1.00 1.00 S ATOM 0 H CYS A 21 58.728 -6.115 8.331 1.00 1.00 H new ATOM 0 HA CYS A 21 61.614 -5.801 9.061 1.00 1.00 H new ATOM 0 HB2 CYS A 21 60.420 -5.388 6.439 1.00 1.00 H new ATOM 0 HB3 CYS A 21 60.917 -3.839 7.092 1.00 1.00 H new ATOM 304 N THR A 22 60.661 -4.075 10.619 1.00 1.00 N ATOM 305 CA THR A 22 60.185 -2.949 11.471 1.00 1.00 C ATOM 306 C THR A 22 60.980 -1.683 11.124 1.00 1.00 C ATOM 307 O THR A 22 62.181 -1.735 10.944 1.00 1.00 O ATOM 308 CB THR A 22 60.403 -3.299 12.945 1.00 1.00 C ATOM 309 OG1 THR A 22 59.910 -2.244 13.758 1.00 1.00 O ATOM 310 CG2 THR A 22 61.897 -3.495 13.210 1.00 1.00 C ATOM 0 H THR A 22 61.354 -4.685 11.053 1.00 1.00 H new ATOM 0 HA THR A 22 59.124 -2.776 11.292 1.00 1.00 H new ATOM 0 HB THR A 22 59.871 -4.220 13.182 1.00 1.00 H new ATOM 0 HG1 THR A 22 60.047 -2.467 14.702 1.00 1.00 H new ATOM 0 HG21 THR A 22 62.051 -3.744 14.260 1.00 1.00 H new ATOM 0 HG22 THR A 22 62.274 -4.305 12.586 1.00 1.00 H new ATOM 0 HG23 THR A 22 62.432 -2.575 12.973 1.00 1.00 H new ATOM 318 N PRO A 23 60.324 -0.551 11.030 1.00 1.00 N ATOM 319 CA PRO A 23 60.995 0.737 10.700 1.00 1.00 C ATOM 320 C PRO A 23 62.341 0.894 11.416 1.00 1.00 C ATOM 321 O PRO A 23 62.675 0.137 12.305 1.00 1.00 O ATOM 322 CB PRO A 23 60.000 1.789 11.189 1.00 1.00 C ATOM 323 CG PRO A 23 58.660 1.138 11.075 1.00 1.00 C ATOM 324 CD PRO A 23 58.877 -0.372 11.230 1.00 1.00 C ATOM 0 HA PRO A 23 61.230 0.815 9.639 1.00 1.00 H new ATOM 0 HB2 PRO A 23 60.210 2.082 12.218 1.00 1.00 H new ATOM 0 HB3 PRO A 23 60.052 2.693 10.583 1.00 1.00 H new ATOM 0 HG2 PRO A 23 57.984 1.511 11.845 1.00 1.00 H new ATOM 0 HG3 PRO A 23 58.203 1.364 10.112 1.00 1.00 H new ATOM 0 HD2 PRO A 23 58.565 -0.720 12.215 1.00 1.00 H new ATOM 0 HD3 PRO A 23 58.301 -0.935 10.496 1.00 1.00 H new ATOM 332 N ARG A 24 63.114 1.876 11.035 1.00 1.00 N ATOM 333 CA ARG A 24 64.434 2.088 11.695 1.00 1.00 C ATOM 334 C ARG A 24 64.235 2.931 12.958 1.00 1.00 C ATOM 335 O ARG A 24 63.257 3.640 13.091 1.00 1.00 O ATOM 336 CB ARG A 24 65.377 2.815 10.730 1.00 1.00 C ATOM 337 CG ARG A 24 64.578 3.817 9.894 1.00 1.00 C ATOM 338 CD ARG A 24 65.541 4.713 9.112 1.00 1.00 C ATOM 339 NE ARG A 24 64.767 5.583 8.184 1.00 1.00 N ATOM 340 CZ ARG A 24 64.357 5.113 7.038 1.00 1.00 C ATOM 341 NH1 ARG A 24 64.625 3.880 6.705 1.00 1.00 N ATOM 342 NH2 ARG A 24 63.679 5.876 6.224 1.00 1.00 N ATOM 0 H ARG A 24 62.888 2.540 10.295 1.00 1.00 H new ATOM 0 HA ARG A 24 64.870 1.126 11.965 1.00 1.00 H new ATOM 0 HB2 ARG A 24 66.158 3.332 11.288 1.00 1.00 H new ATOM 0 HB3 ARG A 24 65.873 2.096 10.079 1.00 1.00 H new ATOM 0 HG2 ARG A 24 63.917 3.288 9.207 1.00 1.00 H new ATOM 0 HG3 ARG A 24 63.945 4.424 10.541 1.00 1.00 H new ATOM 0 HD2 ARG A 24 66.125 5.325 9.800 1.00 1.00 H new ATOM 0 HD3 ARG A 24 66.248 4.102 8.550 1.00 1.00 H new ATOM 0 HE ARG A 24 64.557 6.547 8.444 1.00 1.00 H new ATOM 0 HH11 ARG A 24 65.155 3.284 7.341 1.00 1.00 H new ATOM 0 HH12 ARG A 24 64.304 3.513 5.809 1.00 1.00 H new ATOM 0 HH21 ARG A 24 63.470 6.840 6.484 1.00 1.00 H new ATOM 0 HH22 ARG A 24 63.359 5.508 5.328 1.00 1.00 H new ATOM 356 N LYS A 25 65.152 2.857 13.888 1.00 1.00 N ATOM 357 CA LYS A 25 65.015 3.650 15.147 1.00 1.00 C ATOM 358 C LYS A 25 66.184 4.631 15.271 1.00 1.00 C ATOM 359 O LYS A 25 66.903 4.881 14.324 1.00 1.00 O ATOM 360 CB LYS A 25 65.017 2.702 16.351 1.00 1.00 C ATOM 361 CG LYS A 25 66.240 1.785 16.283 1.00 1.00 C ATOM 362 CD LYS A 25 65.846 0.456 15.634 1.00 1.00 C ATOM 363 CE LYS A 25 67.108 -0.335 15.284 1.00 1.00 C ATOM 364 NZ LYS A 25 66.750 -1.762 15.046 1.00 1.00 N ATOM 0 H LYS A 25 65.991 2.281 13.830 1.00 1.00 H new ATOM 0 HA LYS A 25 64.078 4.206 15.121 1.00 1.00 H new ATOM 0 HB2 LYS A 25 65.032 3.276 17.278 1.00 1.00 H new ATOM 0 HB3 LYS A 25 64.104 2.107 16.359 1.00 1.00 H new ATOM 0 HG2 LYS A 25 67.034 2.262 15.708 1.00 1.00 H new ATOM 0 HG3 LYS A 25 66.633 1.610 17.285 1.00 1.00 H new ATOM 0 HD2 LYS A 25 65.219 -0.121 16.314 1.00 1.00 H new ATOM 0 HD3 LYS A 25 65.257 0.639 14.735 1.00 1.00 H new ATOM 0 HE2 LYS A 25 67.579 0.086 14.396 1.00 1.00 H new ATOM 0 HE3 LYS A 25 67.833 -0.261 16.095 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 67.608 -2.300 14.808 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 66.319 -2.160 15.905 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 66.073 -1.823 14.259 1.00 1.00 H new ATOM 378 N GLY A 26 66.378 5.186 16.438 1.00 1.00 N ATOM 379 CA GLY A 26 67.498 6.150 16.635 1.00 1.00 C ATOM 380 C GLY A 26 67.138 7.494 15.992 1.00 1.00 C ATOM 381 O GLY A 26 66.325 7.558 15.091 1.00 1.00 O ATOM 0 H GLY A 26 65.807 5.012 17.265 1.00 1.00 H new ATOM 0 HA2 GLY A 26 67.692 6.285 17.699 1.00 1.00 H new ATOM 0 HA3 GLY A 26 68.412 5.756 16.191 1.00 1.00 H new ATOM 385 N PRO A 27 67.742 8.562 16.449 1.00 1.00 N ATOM 386 CA PRO A 27 67.484 9.924 15.907 1.00 1.00 C ATOM 387 C PRO A 27 67.332 9.912 14.378 1.00 1.00 C ATOM 388 O PRO A 27 68.033 9.195 13.692 1.00 1.00 O ATOM 389 CB PRO A 27 68.731 10.707 16.319 1.00 1.00 C ATOM 390 CG PRO A 27 69.211 10.048 17.572 1.00 1.00 C ATOM 391 CD PRO A 27 68.741 8.590 17.530 1.00 1.00 C ATOM 0 HA PRO A 27 66.555 10.353 16.284 1.00 1.00 H new ATOM 0 HB2 PRO A 27 69.492 10.673 15.540 1.00 1.00 H new ATOM 0 HB3 PRO A 27 68.497 11.758 16.491 1.00 1.00 H new ATOM 0 HG2 PRO A 27 70.298 10.099 17.641 1.00 1.00 H new ATOM 0 HG3 PRO A 27 68.811 10.555 18.450 1.00 1.00 H new ATOM 0 HD2 PRO A 27 69.569 7.911 17.325 1.00 1.00 H new ATOM 0 HD3 PRO A 27 68.306 8.284 18.482 1.00 1.00 H new ATOM 399 N PRO A 28 66.425 10.693 13.844 1.00 1.00 N ATOM 400 CA PRO A 28 66.194 10.754 12.371 1.00 1.00 C ATOM 401 C PRO A 28 67.283 11.547 11.639 1.00 1.00 C ATOM 402 O PRO A 28 67.579 12.675 11.980 1.00 1.00 O ATOM 403 CB PRO A 28 64.844 11.465 12.253 1.00 1.00 C ATOM 404 CG PRO A 28 64.755 12.325 13.470 1.00 1.00 C ATOM 405 CD PRO A 28 65.526 11.600 14.577 1.00 1.00 C ATOM 0 HA PRO A 28 66.212 9.764 11.916 1.00 1.00 H new ATOM 0 HB2 PRO A 28 64.790 12.062 11.343 1.00 1.00 H new ATOM 0 HB3 PRO A 28 64.023 10.749 12.214 1.00 1.00 H new ATOM 0 HG2 PRO A 28 65.183 13.309 13.281 1.00 1.00 H new ATOM 0 HG3 PRO A 28 63.716 12.480 13.760 1.00 1.00 H new ATOM 0 HD2 PRO A 28 66.084 12.299 15.199 1.00 1.00 H new ATOM 0 HD3 PRO A 28 64.855 11.051 15.238 1.00 1.00 H new ATOM 413 N LYS A 29 67.861 10.964 10.623 1.00 1.00 N ATOM 414 CA LYS A 29 68.923 11.664 9.840 1.00 1.00 C ATOM 415 C LYS A 29 69.895 12.393 10.775 1.00 1.00 C ATOM 416 O LYS A 29 69.731 12.417 11.978 1.00 1.00 O ATOM 417 CB LYS A 29 68.275 12.678 8.894 1.00 1.00 C ATOM 418 CG LYS A 29 67.401 11.945 7.874 1.00 1.00 C ATOM 419 CD LYS A 29 67.211 12.825 6.637 1.00 1.00 C ATOM 420 CE LYS A 29 66.144 13.884 6.922 1.00 1.00 C ATOM 421 NZ LYS A 29 66.431 15.106 6.121 1.00 1.00 N ATOM 0 H LYS A 29 67.641 10.023 10.298 1.00 1.00 H new ATOM 0 HA LYS A 29 69.478 10.921 9.267 1.00 1.00 H new ATOM 0 HB2 LYS A 29 67.672 13.386 9.462 1.00 1.00 H new ATOM 0 HB3 LYS A 29 69.045 13.255 8.381 1.00 1.00 H new ATOM 0 HG2 LYS A 29 67.866 11.000 7.593 1.00 1.00 H new ATOM 0 HG3 LYS A 29 66.433 11.705 8.315 1.00 1.00 H new ATOM 0 HD2 LYS A 29 68.153 13.305 6.371 1.00 1.00 H new ATOM 0 HD3 LYS A 29 66.913 12.214 5.785 1.00 1.00 H new ATOM 0 HE2 LYS A 29 65.156 13.497 6.673 1.00 1.00 H new ATOM 0 HE3 LYS A 29 66.132 14.127 7.984 1.00 1.00 H new ATOM 0 HZ1 LYS A 29 65.706 15.826 6.314 1.00 1.00 H new ATOM 0 HZ2 LYS A 29 67.367 15.479 6.380 1.00 1.00 H new ATOM 0 HZ3 LYS A 29 66.421 14.868 5.109 1.00 1.00 H new ATOM 435 N CYS A 30 70.911 12.991 10.211 1.00 1.00 N ATOM 436 CA CYS A 30 71.914 13.731 11.028 1.00 1.00 C ATOM 437 C CYS A 30 72.943 14.368 10.093 1.00 1.00 C ATOM 438 O CYS A 30 74.047 14.680 10.491 1.00 1.00 O ATOM 439 CB CYS A 30 72.621 12.765 11.984 1.00 1.00 C ATOM 440 SG CYS A 30 73.924 11.879 11.093 1.00 1.00 S ATOM 0 H CYS A 30 71.090 12.997 9.207 1.00 1.00 H new ATOM 0 HA CYS A 30 71.412 14.504 11.610 1.00 1.00 H new ATOM 0 HB2 CYS A 30 73.048 13.314 12.823 1.00 1.00 H new ATOM 0 HB3 CYS A 30 71.904 12.057 12.399 1.00 1.00 H new ATOM 445 N LYS A 31 72.578 14.544 8.847 1.00 1.00 N ATOM 446 CA LYS A 31 73.508 15.146 7.840 1.00 1.00 C ATOM 447 C LYS A 31 74.565 16.016 8.528 1.00 1.00 C ATOM 448 O LYS A 31 74.398 17.209 8.688 1.00 1.00 O ATOM 449 CB LYS A 31 72.706 16.000 6.844 1.00 1.00 C ATOM 450 CG LYS A 31 71.406 16.469 7.500 1.00 1.00 C ATOM 451 CD LYS A 31 71.731 17.361 8.699 1.00 1.00 C ATOM 452 CE LYS A 31 70.432 17.887 9.312 1.00 1.00 C ATOM 453 NZ LYS A 31 69.893 16.882 10.272 1.00 1.00 N ATOM 0 H LYS A 31 71.661 14.292 8.479 1.00 1.00 H new ATOM 0 HA LYS A 31 74.015 14.339 7.310 1.00 1.00 H new ATOM 0 HB2 LYS A 31 73.297 16.860 6.529 1.00 1.00 H new ATOM 0 HB3 LYS A 31 72.484 15.420 5.948 1.00 1.00 H new ATOM 0 HG2 LYS A 31 70.800 17.018 6.779 1.00 1.00 H new ATOM 0 HG3 LYS A 31 70.818 15.609 7.822 1.00 1.00 H new ATOM 0 HD2 LYS A 31 72.294 16.797 9.443 1.00 1.00 H new ATOM 0 HD3 LYS A 31 72.361 18.194 8.386 1.00 1.00 H new ATOM 0 HE2 LYS A 31 70.615 18.832 9.823 1.00 1.00 H new ATOM 0 HE3 LYS A 31 69.701 18.085 8.528 1.00 1.00 H new ATOM 0 HZ1 LYS A 31 69.010 17.239 10.689 1.00 1.00 H new ATOM 0 HZ2 LYS A 31 69.704 15.990 9.771 1.00 1.00 H new ATOM 0 HZ3 LYS A 31 70.589 16.714 11.026 1.00 1.00 H new ATOM 467 N GLN A 32 75.657 15.425 8.928 1.00 1.00 N ATOM 468 CA GLN A 32 76.728 16.213 9.598 1.00 1.00 C ATOM 469 C GLN A 32 77.212 17.307 8.647 1.00 1.00 C ATOM 470 O GLN A 32 77.478 18.423 9.047 1.00 1.00 O ATOM 471 CB GLN A 32 77.893 15.283 9.959 1.00 1.00 C ATOM 472 CG GLN A 32 78.658 15.858 11.153 1.00 1.00 C ATOM 473 CD GLN A 32 79.015 17.320 10.874 1.00 1.00 C ATOM 474 OE1 GLN A 32 80.009 17.603 10.235 1.00 1.00 O ATOM 475 NE2 GLN A 32 78.241 18.266 11.330 1.00 1.00 N ATOM 0 H GLN A 32 75.853 14.430 8.820 1.00 1.00 H new ATOM 0 HA GLN A 32 76.340 16.670 10.508 1.00 1.00 H new ATOM 0 HB2 GLN A 32 77.517 14.289 10.200 1.00 1.00 H new ATOM 0 HB3 GLN A 32 78.561 15.172 9.105 1.00 1.00 H new ATOM 0 HG2 GLN A 32 78.051 15.787 12.056 1.00 1.00 H new ATOM 0 HG3 GLN A 32 79.564 15.279 11.331 1.00 1.00 H new ATOM 0 HE21 GLN A 32 77.407 18.028 11.866 1.00 1.00 H new ATOM 0 HE22 GLN A 32 78.470 19.244 11.150 1.00 1.00 H new ATOM 484 N ARG A 33 77.318 16.989 7.390 1.00 1.00 N ATOM 485 CA ARG A 33 77.775 17.998 6.394 1.00 1.00 C ATOM 486 C ARG A 33 77.732 17.386 4.991 1.00 1.00 C ATOM 487 O ARG A 33 78.085 18.021 4.016 1.00 1.00 O ATOM 488 CB ARG A 33 79.208 18.435 6.716 1.00 1.00 C ATOM 489 CG ARG A 33 80.098 17.201 6.873 1.00 1.00 C ATOM 490 CD ARG A 33 81.564 17.602 6.698 1.00 1.00 C ATOM 491 NE ARG A 33 82.414 16.378 6.670 1.00 1.00 N ATOM 492 CZ ARG A 33 82.880 15.881 7.783 1.00 1.00 C ATOM 493 NH1 ARG A 33 82.601 16.456 8.921 1.00 1.00 N ATOM 494 NH2 ARG A 33 83.624 14.810 7.758 1.00 1.00 N ATOM 0 H ARG A 33 77.107 16.068 7.006 1.00 1.00 H new ATOM 0 HA ARG A 33 77.117 18.866 6.435 1.00 1.00 H new ATOM 0 HB2 ARG A 33 79.592 19.074 5.920 1.00 1.00 H new ATOM 0 HB3 ARG A 33 79.222 19.025 7.633 1.00 1.00 H new ATOM 0 HG2 ARG A 33 79.947 16.754 7.856 1.00 1.00 H new ATOM 0 HG3 ARG A 33 79.826 16.447 6.134 1.00 1.00 H new ATOM 0 HD2 ARG A 33 81.690 18.166 5.774 1.00 1.00 H new ATOM 0 HD3 ARG A 33 81.874 18.254 7.515 1.00 1.00 H new ATOM 0 HE ARG A 33 82.632 15.929 5.781 1.00 1.00 H new ATOM 0 HH11 ARG A 33 82.019 17.293 8.940 1.00 1.00 H new ATOM 0 HH12 ARG A 33 82.965 16.068 9.791 1.00 1.00 H new ATOM 0 HH21 ARG A 33 83.842 14.361 6.868 1.00 1.00 H new ATOM 0 HH22 ARG A 33 83.988 14.422 8.628 1.00 1.00 H new ATOM 508 N GLN A 34 77.302 16.157 4.880 1.00 1.00 N ATOM 509 CA GLN A 34 77.237 15.504 3.538 1.00 1.00 C ATOM 510 C GLN A 34 76.602 16.473 2.535 1.00 1.00 C ATOM 511 O GLN A 34 75.686 17.201 2.858 1.00 1.00 O ATOM 512 CB GLN A 34 76.394 14.220 3.628 1.00 1.00 C ATOM 513 CG GLN A 34 76.078 13.918 5.094 1.00 1.00 C ATOM 514 CD GLN A 34 75.329 12.588 5.192 1.00 1.00 C ATOM 515 OE1 GLN A 34 75.207 11.873 4.217 1.00 1.00 O ATOM 516 NE2 GLN A 34 74.819 12.222 6.336 1.00 1.00 N ATOM 0 H GLN A 34 76.993 15.577 5.660 1.00 1.00 H new ATOM 0 HA GLN A 34 78.243 15.247 3.207 1.00 1.00 H new ATOM 0 HB2 GLN A 34 75.470 14.339 3.063 1.00 1.00 H new ATOM 0 HB3 GLN A 34 76.935 13.385 3.182 1.00 1.00 H new ATOM 0 HG2 GLN A 34 77.000 13.872 5.674 1.00 1.00 H new ATOM 0 HG3 GLN A 34 75.474 14.720 5.519 1.00 1.00 H new ATOM 525 N THR A 35 77.083 16.490 1.320 1.00 1.00 N ATOM 526 CA THR A 35 76.502 17.419 0.309 1.00 1.00 C ATOM 527 C THR A 35 76.999 17.047 -1.091 1.00 1.00 C ATOM 528 O THR A 35 77.690 17.810 -1.736 1.00 1.00 O ATOM 529 CB THR A 35 76.933 18.851 0.634 1.00 1.00 C ATOM 530 OG1 THR A 35 76.905 19.044 2.041 1.00 1.00 O ATOM 531 CG2 THR A 35 75.978 19.839 -0.038 1.00 1.00 C ATOM 0 H THR A 35 77.848 15.904 0.986 1.00 1.00 H new ATOM 0 HA THR A 35 75.415 17.343 0.335 1.00 1.00 H new ATOM 0 HB THR A 35 77.944 19.019 0.264 1.00 1.00 H new ATOM 0 HG1 THR A 35 76.025 18.788 2.389 1.00 1.00 H new ATOM 0 HG21 THR A 35 76.286 20.858 0.194 1.00 1.00 H new ATOM 0 HG22 THR A 35 76.001 19.690 -1.118 1.00 1.00 H new ATOM 0 HG23 THR A 35 74.965 19.673 0.330 1.00 1.00 H new ATOM 539 N ARG A 36 76.648 15.886 -1.571 1.00 1.00 N ATOM 540 CA ARG A 36 77.097 15.480 -2.933 1.00 1.00 C ATOM 541 C ARG A 36 78.597 15.748 -3.085 1.00 1.00 C ATOM 542 O ARG A 36 79.006 16.811 -3.508 1.00 1.00 O ATOM 543 CB ARG A 36 76.322 16.290 -3.978 1.00 1.00 C ATOM 544 CG ARG A 36 76.911 16.033 -5.367 1.00 1.00 C ATOM 545 CD ARG A 36 75.900 16.451 -6.436 1.00 1.00 C ATOM 546 NE ARG A 36 76.614 17.116 -7.562 1.00 1.00 N ATOM 547 CZ ARG A 36 76.885 18.390 -7.501 1.00 1.00 C ATOM 548 NH1 ARG A 36 76.532 19.084 -6.453 1.00 1.00 N ATOM 549 NH2 ARG A 36 77.511 18.972 -8.488 1.00 1.00 N ATOM 0 H ARG A 36 76.071 15.202 -1.081 1.00 1.00 H new ATOM 0 HA ARG A 36 76.909 14.416 -3.078 1.00 1.00 H new ATOM 0 HB2 ARG A 36 75.269 16.011 -3.961 1.00 1.00 H new ATOM 0 HB3 ARG A 36 76.374 17.353 -3.741 1.00 1.00 H new ATOM 0 HG2 ARG A 36 77.838 16.593 -5.490 1.00 1.00 H new ATOM 0 HG3 ARG A 36 77.159 14.977 -5.479 1.00 1.00 H new ATOM 0 HD2 ARG A 36 75.358 15.578 -6.800 1.00 1.00 H new ATOM 0 HD3 ARG A 36 75.162 17.129 -6.008 1.00 1.00 H new ATOM 0 HE ARG A 36 76.891 16.574 -8.381 1.00 1.00 H new ATOM 0 HH11 ARG A 36 76.044 18.630 -5.681 1.00 1.00 H new ATOM 0 HH12 ARG A 36 76.744 20.081 -6.406 1.00 1.00 H new ATOM 0 HH21 ARG A 36 77.788 18.430 -9.307 1.00 1.00 H new ATOM 0 HH22 ARG A 36 77.723 19.969 -8.440 1.00 1.00 H new ATOM 563 N GLN A 37 79.422 14.794 -2.745 1.00 1.00 N ATOM 564 CA GLN A 37 80.893 15.006 -2.876 1.00 1.00 C ATOM 565 C GLN A 37 81.631 13.665 -2.775 1.00 1.00 C ATOM 566 O GLN A 37 82.265 13.372 -1.781 1.00 1.00 O ATOM 567 CB GLN A 37 81.372 15.937 -1.760 1.00 1.00 C ATOM 568 CG GLN A 37 80.691 15.551 -0.445 1.00 1.00 C ATOM 569 CD GLN A 37 81.345 16.309 0.711 1.00 1.00 C ATOM 570 OE1 GLN A 37 82.068 17.366 0.456 1.00 1.00 O flip ATOM 571 NE2 GLN A 37 81.197 15.937 1.858 1.00 1.00 N flip ATOM 0 H GLN A 37 79.143 13.882 -2.384 1.00 1.00 H new ATOM 0 HA GLN A 37 81.104 15.454 -3.847 1.00 1.00 H new ATOM 0 HB2 GLN A 37 82.455 15.869 -1.655 1.00 1.00 H new ATOM 0 HB3 GLN A 37 81.141 16.972 -2.011 1.00 1.00 H new ATOM 0 HG2 GLN A 37 79.627 15.785 -0.492 1.00 1.00 H new ATOM 0 HG3 GLN A 37 80.774 14.476 -0.282 1.00 1.00 H new ATOM 0 HE21 GLN A 37 80.632 15.111 2.058 1.00 1.00 H new ATOM 0 HE22 GLN A 37 81.637 16.450 2.621 1.00 1.00 H new ATOM 580 N CYS A 38 81.567 12.856 -3.800 1.00 1.00 N ATOM 581 CA CYS A 38 82.279 11.545 -3.762 1.00 1.00 C ATOM 582 C CYS A 38 82.121 10.836 -5.109 1.00 1.00 C ATOM 583 O CYS A 38 82.882 9.950 -5.447 1.00 1.00 O ATOM 584 CB CYS A 38 81.686 10.665 -2.659 1.00 1.00 C ATOM 585 SG CYS A 38 82.355 8.989 -2.799 1.00 1.00 S ATOM 0 H CYS A 38 81.053 13.046 -4.660 1.00 1.00 H new ATOM 0 HA CYS A 38 83.336 11.719 -3.560 1.00 1.00 H new ATOM 0 HB2 CYS A 38 81.922 11.082 -1.680 1.00 1.00 H new ATOM 0 HB3 CYS A 38 80.599 10.642 -2.742 1.00 1.00 H new ATOM 590 N LYS A 39 81.137 11.210 -5.879 1.00 1.00 N ATOM 591 CA LYS A 39 80.929 10.550 -7.197 1.00 1.00 C ATOM 592 C LYS A 39 82.247 10.538 -7.975 1.00 1.00 C ATOM 593 O LYS A 39 83.264 11.009 -7.508 1.00 1.00 O ATOM 594 CB LYS A 39 79.861 11.313 -8.000 1.00 1.00 C ATOM 595 CG LYS A 39 79.160 12.322 -7.088 1.00 1.00 C ATOM 596 CD LYS A 39 78.034 13.012 -7.860 1.00 1.00 C ATOM 597 CE LYS A 39 78.597 14.217 -8.617 1.00 1.00 C ATOM 598 NZ LYS A 39 78.869 15.323 -7.656 1.00 1.00 N ATOM 0 H LYS A 39 80.467 11.945 -5.652 1.00 1.00 H new ATOM 0 HA LYS A 39 80.592 9.526 -7.038 1.00 1.00 H new ATOM 0 HB2 LYS A 39 80.323 11.828 -8.842 1.00 1.00 H new ATOM 0 HB3 LYS A 39 79.134 10.614 -8.414 1.00 1.00 H new ATOM 0 HG2 LYS A 39 78.757 11.816 -6.211 1.00 1.00 H new ATOM 0 HG3 LYS A 39 79.875 13.062 -6.729 1.00 1.00 H new ATOM 0 HD2 LYS A 39 77.576 12.312 -8.559 1.00 1.00 H new ATOM 0 HD3 LYS A 39 77.252 13.334 -7.173 1.00 1.00 H new ATOM 0 HE2 LYS A 39 79.514 13.938 -9.136 1.00 1.00 H new ATOM 0 HE3 LYS A 39 77.888 14.547 -9.377 1.00 1.00 H new ATOM 0 HZ1 LYS A 39 78.624 16.233 -8.096 1.00 1.00 H new ATOM 0 HZ2 LYS A 39 78.296 15.187 -6.799 1.00 1.00 H new ATOM 0 HZ3 LYS A 39 79.877 15.322 -7.402 1.00 1.00 H new ATOM 612 N SER A 40 82.227 10.002 -9.162 1.00 1.00 N ATOM 613 CA SER A 40 83.468 9.953 -9.989 1.00 1.00 C ATOM 614 C SER A 40 84.478 8.992 -9.354 1.00 1.00 C ATOM 615 O SER A 40 85.591 9.367 -9.040 1.00 1.00 O ATOM 616 CB SER A 40 84.076 11.355 -10.082 1.00 1.00 C ATOM 617 OG SER A 40 84.826 11.461 -11.284 1.00 1.00 O ATOM 0 H SER A 40 81.401 9.593 -9.599 1.00 1.00 H new ATOM 0 HA SER A 40 83.220 9.599 -10.990 1.00 1.00 H new ATOM 0 HB2 SER A 40 83.288 12.108 -10.064 1.00 1.00 H new ATOM 0 HB3 SER A 40 84.718 11.544 -9.221 1.00 1.00 H new ATOM 0 HG SER A 40 85.216 12.358 -11.348 1.00 1.00 H new ATOM 623 N LYS A 41 84.104 7.754 -9.167 1.00 1.00 N ATOM 624 CA LYS A 41 85.049 6.772 -8.557 1.00 1.00 C ATOM 625 C LYS A 41 85.793 6.030 -9.676 1.00 1.00 C ATOM 626 O LYS A 41 85.326 5.955 -10.795 1.00 1.00 O ATOM 627 CB LYS A 41 84.268 5.764 -7.693 1.00 1.00 C ATOM 628 CG LYS A 41 82.824 6.243 -7.529 1.00 1.00 C ATOM 629 CD LYS A 41 82.102 5.351 -6.517 1.00 1.00 C ATOM 630 CE LYS A 41 80.655 5.823 -6.361 1.00 1.00 C ATOM 631 NZ LYS A 41 80.056 5.196 -5.149 1.00 1.00 N ATOM 0 H LYS A 41 83.186 7.380 -9.410 1.00 1.00 H new ATOM 0 HA LYS A 41 85.766 7.297 -7.926 1.00 1.00 H new ATOM 0 HB2 LYS A 41 84.285 4.779 -8.160 1.00 1.00 H new ATOM 0 HB3 LYS A 41 84.742 5.662 -6.717 1.00 1.00 H new ATOM 0 HG2 LYS A 41 82.810 7.279 -7.192 1.00 1.00 H new ATOM 0 HG3 LYS A 41 82.308 6.213 -8.489 1.00 1.00 H new ATOM 0 HD2 LYS A 41 82.123 4.314 -6.851 1.00 1.00 H new ATOM 0 HD3 LYS A 41 82.613 5.387 -5.555 1.00 1.00 H new ATOM 0 HE2 LYS A 41 80.623 6.909 -6.275 1.00 1.00 H new ATOM 0 HE3 LYS A 41 80.077 5.556 -7.245 1.00 1.00 H new ATOM 0 HZ1 LYS A 41 79.171 5.686 -4.906 1.00 1.00 H new ATOM 0 HZ2 LYS A 41 79.856 4.194 -5.340 1.00 1.00 H new ATOM 0 HZ3 LYS A 41 80.723 5.271 -4.354 1.00 1.00 H new ATOM 645 N PRO A 42 86.945 5.486 -9.374 1.00 1.00 N ATOM 646 CA PRO A 42 87.771 4.737 -10.370 1.00 1.00 C ATOM 647 C PRO A 42 87.093 3.437 -10.827 1.00 1.00 C ATOM 648 O PRO A 42 86.173 2.953 -10.197 1.00 1.00 O ATOM 649 CB PRO A 42 89.074 4.435 -9.617 1.00 1.00 C ATOM 650 CG PRO A 42 88.726 4.516 -8.168 1.00 1.00 C ATOM 651 CD PRO A 42 87.583 5.524 -8.049 1.00 1.00 C ATOM 0 HA PRO A 42 87.925 5.313 -11.283 1.00 1.00 H new ATOM 0 HB2 PRO A 42 89.456 3.447 -9.874 1.00 1.00 H new ATOM 0 HB3 PRO A 42 89.852 5.154 -9.875 1.00 1.00 H new ATOM 0 HG2 PRO A 42 88.424 3.541 -7.787 1.00 1.00 H new ATOM 0 HG3 PRO A 42 89.587 4.835 -7.580 1.00 1.00 H new ATOM 0 HD2 PRO A 42 86.884 5.246 -7.260 1.00 1.00 H new ATOM 0 HD3 PRO A 42 87.952 6.522 -7.811 1.00 1.00 H new ATOM 659 N PRO A 43 87.549 2.881 -11.920 1.00 1.00 N ATOM 660 CA PRO A 43 86.984 1.617 -12.485 1.00 1.00 C ATOM 661 C PRO A 43 87.129 0.428 -11.528 1.00 1.00 C ATOM 662 O PRO A 43 88.205 0.133 -11.049 1.00 1.00 O ATOM 663 CB PRO A 43 87.799 1.381 -13.767 1.00 1.00 C ATOM 664 CG PRO A 43 89.037 2.202 -13.614 1.00 1.00 C ATOM 665 CD PRO A 43 88.659 3.394 -12.736 1.00 1.00 C ATOM 0 HA PRO A 43 85.913 1.707 -12.665 1.00 1.00 H new ATOM 0 HB2 PRO A 43 88.042 0.325 -13.888 1.00 1.00 H new ATOM 0 HB3 PRO A 43 87.236 1.682 -14.650 1.00 1.00 H new ATOM 0 HG2 PRO A 43 89.835 1.619 -13.155 1.00 1.00 H new ATOM 0 HG3 PRO A 43 89.404 2.536 -14.585 1.00 1.00 H new ATOM 0 HD2 PRO A 43 89.496 3.718 -12.117 1.00 1.00 H new ATOM 0 HD3 PRO A 43 88.354 4.252 -13.334 1.00 1.00 H new ATOM 673 N LYS A 44 86.045 -0.255 -11.261 1.00 1.00 N ATOM 674 CA LYS A 44 86.078 -1.440 -10.345 1.00 1.00 C ATOM 675 C LYS A 44 87.223 -1.316 -9.333 1.00 1.00 C ATOM 676 O LYS A 44 87.312 -0.356 -8.594 1.00 1.00 O ATOM 677 CB LYS A 44 86.260 -2.717 -11.169 1.00 1.00 C ATOM 678 CG LYS A 44 84.994 -2.983 -11.986 1.00 1.00 C ATOM 679 CD LYS A 44 85.061 -4.388 -12.589 1.00 1.00 C ATOM 680 CE LYS A 44 83.654 -4.843 -12.982 1.00 1.00 C ATOM 681 NZ LYS A 44 83.706 -6.248 -13.474 1.00 1.00 N ATOM 0 H LYS A 44 85.124 -0.040 -11.644 1.00 1.00 H new ATOM 0 HA LYS A 44 85.136 -1.482 -9.798 1.00 1.00 H new ATOM 0 HB2 LYS A 44 87.119 -2.615 -11.832 1.00 1.00 H new ATOM 0 HB3 LYS A 44 86.465 -3.561 -10.510 1.00 1.00 H new ATOM 0 HG2 LYS A 44 84.113 -2.890 -11.351 1.00 1.00 H new ATOM 0 HG3 LYS A 44 84.897 -2.240 -12.778 1.00 1.00 H new ATOM 0 HD2 LYS A 44 85.712 -4.389 -13.463 1.00 1.00 H new ATOM 0 HD3 LYS A 44 85.492 -5.084 -11.869 1.00 1.00 H new ATOM 0 HE2 LYS A 44 82.984 -4.771 -12.125 1.00 1.00 H new ATOM 0 HE3 LYS A 44 83.252 -4.190 -13.756 1.00 1.00 H new ATOM 0 HZ1 LYS A 44 82.750 -6.558 -13.741 1.00 1.00 H new ATOM 0 HZ2 LYS A 44 84.332 -6.303 -14.303 1.00 1.00 H new ATOM 0 HZ3 LYS A 44 84.072 -6.866 -12.722 1.00 1.00 H new ATOM 695 N LYS A 45 88.095 -2.288 -9.291 1.00 1.00 N ATOM 696 CA LYS A 45 89.230 -2.240 -8.326 1.00 1.00 C ATOM 697 C LYS A 45 89.882 -0.855 -8.362 1.00 1.00 C ATOM 698 O LYS A 45 89.788 -0.139 -9.339 1.00 1.00 O ATOM 699 CB LYS A 45 90.266 -3.307 -8.708 1.00 1.00 C ATOM 700 CG LYS A 45 90.995 -3.789 -7.452 1.00 1.00 C ATOM 701 CD LYS A 45 90.210 -4.938 -6.815 1.00 1.00 C ATOM 702 CE LYS A 45 90.791 -5.250 -5.435 1.00 1.00 C ATOM 703 NZ LYS A 45 90.440 -4.153 -4.489 1.00 1.00 N ATOM 0 H LYS A 45 88.069 -3.116 -9.886 1.00 1.00 H new ATOM 0 HA LYS A 45 88.859 -2.434 -7.320 1.00 1.00 H new ATOM 0 HB2 LYS A 45 89.774 -4.146 -9.200 1.00 1.00 H new ATOM 0 HB3 LYS A 45 90.981 -2.895 -9.420 1.00 1.00 H new ATOM 0 HG2 LYS A 45 92.002 -4.120 -7.707 1.00 1.00 H new ATOM 0 HG3 LYS A 45 91.100 -2.969 -6.742 1.00 1.00 H new ATOM 0 HD2 LYS A 45 89.158 -4.668 -6.726 1.00 1.00 H new ATOM 0 HD3 LYS A 45 90.259 -5.822 -7.450 1.00 1.00 H new ATOM 0 HE2 LYS A 45 90.399 -6.199 -5.070 1.00 1.00 H new ATOM 0 HE3 LYS A 45 91.874 -5.356 -5.500 1.00 1.00 H new ATOM 0 HZ1 LYS A 45 90.507 -4.502 -3.512 1.00 1.00 H new ATOM 0 HZ2 LYS A 45 91.099 -3.359 -4.619 1.00 1.00 H new ATOM 0 HZ3 LYS A 45 89.469 -3.831 -4.675 1.00 1.00 H new ATOM 717 N GLY A 46 90.542 -0.475 -7.299 1.00 1.00 N ATOM 718 CA GLY A 46 91.205 0.863 -7.258 1.00 1.00 C ATOM 719 C GLY A 46 90.600 1.694 -6.127 1.00 1.00 C ATOM 720 O GLY A 46 89.528 2.249 -6.258 1.00 1.00 O ATOM 0 H GLY A 46 90.651 -1.036 -6.454 1.00 1.00 H new ATOM 0 HA2 GLY A 46 92.278 0.745 -7.104 1.00 1.00 H new ATOM 0 HA3 GLY A 46 91.074 1.376 -8.211 1.00 1.00 H new ATOM 724 N VAL A 47 91.277 1.782 -5.013 1.00 1.00 N ATOM 725 CA VAL A 47 90.740 2.575 -3.871 1.00 1.00 C ATOM 726 C VAL A 47 91.390 3.962 -3.868 1.00 1.00 C ATOM 727 O VAL A 47 90.836 4.916 -3.361 1.00 1.00 O ATOM 728 CB VAL A 47 91.041 1.827 -2.557 1.00 1.00 C ATOM 729 CG1 VAL A 47 92.189 2.523 -1.824 1.00 1.00 C ATOM 730 CG2 VAL A 47 89.794 1.834 -1.671 1.00 1.00 C ATOM 0 H VAL A 47 92.180 1.338 -4.845 1.00 1.00 H new ATOM 0 HA VAL A 47 89.661 2.698 -3.968 1.00 1.00 H new ATOM 0 HB VAL A 47 91.324 0.799 -2.781 1.00 1.00 H new ATOM 0 HG11 VAL A 47 92.401 1.994 -0.895 1.00 1.00 H new ATOM 0 HG12 VAL A 47 93.078 2.520 -2.455 1.00 1.00 H new ATOM 0 HG13 VAL A 47 91.907 3.552 -1.599 1.00 1.00 H new ATOM 0 HG21 VAL A 47 90.005 1.305 -0.741 1.00 1.00 H new ATOM 0 HG22 VAL A 47 89.512 2.863 -1.447 1.00 1.00 H new ATOM 0 HG23 VAL A 47 88.975 1.339 -2.192 1.00 1.00 H new ATOM 740 N GLN A 48 92.562 4.076 -4.431 1.00 1.00 N ATOM 741 CA GLN A 48 93.251 5.397 -4.460 1.00 1.00 C ATOM 742 C GLN A 48 93.701 5.760 -3.043 1.00 1.00 C ATOM 743 O GLN A 48 94.876 5.900 -2.769 1.00 1.00 O ATOM 744 CB GLN A 48 92.283 6.465 -4.989 1.00 1.00 C ATOM 745 CG GLN A 48 93.069 7.540 -5.743 1.00 1.00 C ATOM 746 CD GLN A 48 92.134 8.694 -6.109 1.00 1.00 C ATOM 747 OE1 GLN A 48 91.554 9.319 -5.244 1.00 1.00 O ATOM 748 NE2 GLN A 48 91.963 9.006 -7.364 1.00 1.00 N ATOM 0 H GLN A 48 93.072 3.311 -4.872 1.00 1.00 H new ATOM 0 HA GLN A 48 94.121 5.347 -5.115 1.00 1.00 H new ATOM 0 HB2 GLN A 48 91.546 6.008 -5.650 1.00 1.00 H new ATOM 0 HB3 GLN A 48 91.734 6.914 -4.162 1.00 1.00 H new ATOM 0 HG2 GLN A 48 93.890 7.905 -5.126 1.00 1.00 H new ATOM 0 HG3 GLN A 48 93.512 7.117 -6.645 1.00 1.00 H new ATOM 0 HE21 GLN A 48 92.450 8.481 -8.091 1.00 1.00 H new ATOM 0 HE22 GLN A 48 91.342 9.775 -7.618 1.00 1.00 H new ATOM 757 N GLY A 49 92.771 5.909 -2.140 1.00 1.00 N ATOM 758 CA GLY A 49 93.136 6.259 -0.739 1.00 1.00 C ATOM 759 C GLY A 49 91.961 5.932 0.182 1.00 1.00 C ATOM 760 O GLY A 49 90.838 5.785 -0.259 1.00 1.00 O ATOM 0 H GLY A 49 91.771 5.803 -2.313 1.00 1.00 H new ATOM 0 HA2 GLY A 49 94.021 5.702 -0.431 1.00 1.00 H new ATOM 0 HA3 GLY A 49 93.385 7.318 -0.669 1.00 1.00 H new ATOM 764 N CYS A 50 92.205 5.812 1.459 1.00 1.00 N ATOM 765 CA CYS A 50 91.094 5.491 2.398 1.00 1.00 C ATOM 766 C CYS A 50 91.436 6.012 3.796 1.00 1.00 C ATOM 767 O CYS A 50 91.003 7.074 4.196 1.00 1.00 O ATOM 768 CB CYS A 50 90.896 3.975 2.453 1.00 1.00 C ATOM 769 SG CYS A 50 89.945 3.438 1.010 1.00 1.00 S ATOM 0 H CYS A 50 93.123 5.922 1.891 1.00 1.00 H new ATOM 0 HA CYS A 50 90.177 5.966 2.050 1.00 1.00 H new ATOM 0 HB2 CYS A 50 91.863 3.472 2.473 1.00 1.00 H new ATOM 0 HB3 CYS A 50 90.374 3.699 3.369 1.00 1.00 H new ATOM 774 N GLY A 51 92.203 5.268 4.545 1.00 1.00 N ATOM 775 CA GLY A 51 92.563 5.719 5.919 1.00 1.00 C ATOM 776 C GLY A 51 91.334 5.605 6.823 1.00 1.00 C ATOM 777 O GLY A 51 90.839 4.526 7.081 1.00 1.00 O ATOM 0 H GLY A 51 92.595 4.369 4.266 1.00 1.00 H new ATOM 0 HA2 GLY A 51 93.377 5.110 6.313 1.00 1.00 H new ATOM 0 HA3 GLY A 51 92.918 6.749 5.895 1.00 1.00 H new ATOM 781 N ASP A 52 90.834 6.711 7.302 1.00 1.00 N ATOM 782 CA ASP A 52 89.633 6.664 8.184 1.00 1.00 C ATOM 783 C ASP A 52 88.946 8.031 8.177 1.00 1.00 C ATOM 784 O ASP A 52 87.847 8.186 8.672 1.00 1.00 O ATOM 785 CB ASP A 52 90.055 6.311 9.612 1.00 1.00 C ATOM 786 CG ASP A 52 90.477 4.842 9.671 1.00 1.00 C ATOM 787 OD1 ASP A 52 89.657 3.997 9.351 1.00 1.00 O ATOM 788 OD2 ASP A 52 91.613 4.586 10.035 1.00 1.00 O ATOM 0 H ASP A 52 91.204 7.644 7.121 1.00 1.00 H new ATOM 0 HA ASP A 52 88.942 5.905 7.816 1.00 1.00 H new ATOM 0 HB2 ASP A 52 90.880 6.950 9.927 1.00 1.00 H new ATOM 0 HB3 ASP A 52 89.230 6.491 10.301 1.00 1.00 H new ATOM 793 N ASP A 53 89.583 9.023 7.617 1.00 1.00 N ATOM 794 CA ASP A 53 88.962 10.376 7.577 1.00 1.00 C ATOM 795 C ASP A 53 87.627 10.295 6.833 1.00 1.00 C ATOM 796 O ASP A 53 87.078 9.228 6.644 1.00 1.00 O ATOM 797 CB ASP A 53 89.896 11.348 6.850 1.00 1.00 C ATOM 798 CG ASP A 53 89.473 12.787 7.154 1.00 1.00 C ATOM 799 OD1 ASP A 53 89.289 13.096 8.319 1.00 1.00 O ATOM 800 OD2 ASP A 53 89.340 13.555 6.215 1.00 1.00 O ATOM 0 H ASP A 53 90.505 8.955 7.186 1.00 1.00 H new ATOM 0 HA ASP A 53 88.794 10.732 8.594 1.00 1.00 H new ATOM 0 HB2 ASP A 53 90.926 11.186 7.168 1.00 1.00 H new ATOM 0 HB3 ASP A 53 89.862 11.167 5.776 1.00 1.00 H new ATOM 805 N ILE A 54 87.098 11.412 6.409 1.00 1.00 N ATOM 806 CA ILE A 54 85.796 11.390 5.679 1.00 1.00 C ATOM 807 C ILE A 54 85.804 12.470 4.586 1.00 1.00 C ATOM 808 O ILE A 54 85.242 13.535 4.747 1.00 1.00 O ATOM 809 CB ILE A 54 84.641 11.651 6.669 1.00 1.00 C ATOM 810 CG1 ILE A 54 85.158 11.508 8.102 1.00 1.00 C ATOM 811 CG2 ILE A 54 83.522 10.636 6.429 1.00 1.00 C ATOM 812 CD1 ILE A 54 84.021 11.792 9.086 1.00 1.00 C ATOM 0 H ILE A 54 87.510 12.337 6.536 1.00 1.00 H new ATOM 0 HA ILE A 54 85.654 10.413 5.217 1.00 1.00 H new ATOM 0 HB ILE A 54 84.255 12.659 6.519 1.00 1.00 H new ATOM 0 HG12 ILE A 54 85.548 10.502 8.261 1.00 1.00 H new ATOM 0 HG13 ILE A 54 85.983 12.200 8.273 1.00 1.00 H new ATOM 0 HG21 ILE A 54 82.707 10.821 7.129 1.00 1.00 H new ATOM 0 HG22 ILE A 54 83.154 10.735 5.408 1.00 1.00 H new ATOM 0 HG23 ILE A 54 83.907 9.627 6.579 1.00 1.00 H new ATOM 0 HD11 ILE A 54 84.389 11.690 10.107 1.00 1.00 H new ATOM 0 HD12 ILE A 54 83.652 12.806 8.933 1.00 1.00 H new ATOM 0 HD13 ILE A 54 83.211 11.082 8.920 1.00 1.00 H new ATOM 824 N PRO A 55 86.438 12.189 3.477 1.00 1.00 N ATOM 825 CA PRO A 55 86.524 13.134 2.333 1.00 1.00 C ATOM 826 C PRO A 55 85.329 13.004 1.381 1.00 1.00 C ATOM 827 O PRO A 55 85.211 13.732 0.415 1.00 1.00 O ATOM 828 CB PRO A 55 87.815 12.707 1.639 1.00 1.00 C ATOM 829 CG PRO A 55 87.925 11.237 1.894 1.00 1.00 C ATOM 830 CD PRO A 55 87.155 10.937 3.187 1.00 1.00 C ATOM 0 HA PRO A 55 86.515 14.176 2.652 1.00 1.00 H new ATOM 0 HB2 PRO A 55 87.778 12.920 0.571 1.00 1.00 H new ATOM 0 HB3 PRO A 55 88.675 13.243 2.041 1.00 1.00 H new ATOM 0 HG2 PRO A 55 87.510 10.671 1.060 1.00 1.00 H new ATOM 0 HG3 PRO A 55 88.970 10.941 1.992 1.00 1.00 H new ATOM 0 HD2 PRO A 55 86.465 10.104 3.056 1.00 1.00 H new ATOM 0 HD3 PRO A 55 87.830 10.667 3.999 1.00 1.00 H new ATOM 838 N GLY A 56 84.447 12.079 1.644 1.00 1.00 N ATOM 839 CA GLY A 56 83.267 11.900 0.752 1.00 1.00 C ATOM 840 C GLY A 56 82.172 11.136 1.500 1.00 1.00 C ATOM 841 O GLY A 56 82.283 9.949 1.735 1.00 1.00 O ATOM 0 H GLY A 56 84.493 11.440 2.438 1.00 1.00 H new ATOM 0 HA2 GLY A 56 82.892 12.871 0.429 1.00 1.00 H new ATOM 0 HA3 GLY A 56 83.556 11.355 -0.146 1.00 1.00 H new ATOM 845 N MET A 57 81.117 11.809 1.880 1.00 1.00 N ATOM 846 CA MET A 57 80.013 11.125 2.620 1.00 1.00 C ATOM 847 C MET A 57 78.770 11.022 1.731 1.00 1.00 C ATOM 848 O MET A 57 78.024 10.067 1.805 1.00 1.00 O ATOM 849 CB MET A 57 79.670 11.929 3.877 1.00 1.00 C ATOM 850 CG MET A 57 78.688 11.137 4.743 1.00 1.00 C ATOM 851 SD MET A 57 79.535 10.547 6.229 1.00 1.00 S ATOM 852 CE MET A 57 80.422 9.173 5.455 1.00 1.00 C ATOM 0 H MET A 57 80.971 12.804 1.710 1.00 1.00 H new ATOM 0 HA MET A 57 80.338 10.123 2.899 1.00 1.00 H new ATOM 0 HB2 MET A 57 80.577 12.144 4.442 1.00 1.00 H new ATOM 0 HB3 MET A 57 79.233 12.888 3.599 1.00 1.00 H new ATOM 0 HG2 MET A 57 77.841 11.766 5.019 1.00 1.00 H new ATOM 0 HG3 MET A 57 78.288 10.293 4.180 1.00 1.00 H new ATOM 0 HE1 MET A 57 80.772 8.486 6.225 1.00 1.00 H new ATOM 0 HE2 MET A 57 79.753 8.646 4.775 1.00 1.00 H new ATOM 0 HE3 MET A 57 81.276 9.559 4.898 1.00 1.00 H new ATOM 862 N GLU A 58 78.534 11.997 0.895 1.00 1.00 N ATOM 863 CA GLU A 58 77.333 11.947 0.011 1.00 1.00 C ATOM 864 C GLU A 58 76.077 11.796 0.872 1.00 1.00 C ATOM 865 O GLU A 58 76.144 11.453 2.036 1.00 1.00 O ATOM 866 CB GLU A 58 77.443 10.749 -0.948 1.00 1.00 C ATOM 867 CG GLU A 58 77.951 11.227 -2.309 1.00 1.00 C ATOM 868 CD GLU A 58 76.800 11.866 -3.089 1.00 1.00 C ATOM 869 OE1 GLU A 58 75.862 12.321 -2.455 1.00 1.00 O ATOM 870 OE2 GLU A 58 76.876 11.890 -4.306 1.00 1.00 O ATOM 0 H GLU A 58 79.120 12.825 0.786 1.00 1.00 H new ATOM 0 HA GLU A 58 77.272 12.868 -0.569 1.00 1.00 H new ATOM 0 HB2 GLU A 58 78.122 10.002 -0.537 1.00 1.00 H new ATOM 0 HB3 GLU A 58 76.471 10.269 -1.059 1.00 1.00 H new ATOM 0 HG2 GLU A 58 78.758 11.948 -2.175 1.00 1.00 H new ATOM 0 HG3 GLU A 58 78.363 10.388 -2.870 1.00 1.00 H new ATOM 877 N GLY A 59 74.929 12.044 0.301 1.00 1.00 N ATOM 878 CA GLY A 59 73.657 11.912 1.070 1.00 1.00 C ATOM 879 C GLY A 59 72.950 10.623 0.647 1.00 1.00 C ATOM 880 O GLY A 59 73.528 9.776 -0.006 1.00 1.00 O ATOM 0 H GLY A 59 74.817 12.334 -0.670 1.00 1.00 H new ATOM 0 HA2 GLY A 59 73.864 11.894 2.140 1.00 1.00 H new ATOM 0 HA3 GLY A 59 73.014 12.772 0.884 1.00 1.00 H new ATOM 884 N CYS A 60 71.704 10.466 1.010 1.00 1.00 N ATOM 885 CA CYS A 60 70.960 9.231 0.626 1.00 1.00 C ATOM 886 C CYS A 60 69.710 9.617 -0.172 1.00 1.00 C ATOM 887 O CYS A 60 69.780 9.884 -1.355 1.00 1.00 O ATOM 888 CB CYS A 60 70.557 8.458 1.891 1.00 1.00 C ATOM 889 SG CYS A 60 70.758 9.524 3.340 1.00 1.00 S ATOM 0 H CYS A 60 71.169 11.141 1.557 1.00 1.00 H new ATOM 0 HA CYS A 60 71.597 8.597 0.010 1.00 1.00 H new ATOM 0 HB2 CYS A 60 69.522 8.125 1.812 1.00 1.00 H new ATOM 0 HB3 CYS A 60 71.172 7.564 1.996 1.00 1.00 H new ATOM 894 N GLY A 61 68.567 9.648 0.459 1.00 1.00 N ATOM 895 CA GLY A 61 67.320 10.011 -0.271 1.00 1.00 C ATOM 896 C GLY A 61 66.992 8.912 -1.281 1.00 1.00 C ATOM 897 O GLY A 61 65.936 8.313 -1.245 1.00 1.00 O ATOM 0 H GLY A 61 68.444 9.437 1.449 1.00 1.00 H new ATOM 0 HA2 GLY A 61 66.496 10.134 0.431 1.00 1.00 H new ATOM 0 HA3 GLY A 61 67.448 10.965 -0.782 1.00 1.00 H new ATOM 901 N THR A 62 67.897 8.645 -2.182 1.00 1.00 N ATOM 902 CA THR A 62 67.660 7.589 -3.204 1.00 1.00 C ATOM 903 C THR A 62 68.464 6.339 -2.841 1.00 1.00 C ATOM 904 O THR A 62 69.675 6.320 -2.933 1.00 1.00 O ATOM 905 CB THR A 62 68.116 8.108 -4.569 1.00 1.00 C ATOM 906 OG1 THR A 62 68.469 7.009 -5.397 1.00 1.00 O ATOM 907 CG2 THR A 62 69.327 9.025 -4.390 1.00 1.00 C ATOM 0 H THR A 62 68.798 9.118 -2.254 1.00 1.00 H new ATOM 0 HA THR A 62 66.600 7.339 -3.238 1.00 1.00 H new ATOM 0 HB THR A 62 67.305 8.669 -5.035 1.00 1.00 H new ATOM 0 HG1 THR A 62 68.760 7.339 -6.273 1.00 1.00 H new ATOM 0 HG21 THR A 62 69.651 9.394 -5.363 1.00 1.00 H new ATOM 0 HG22 THR A 62 69.055 9.868 -3.755 1.00 1.00 H new ATOM 0 HG23 THR A 62 70.140 8.468 -3.924 1.00 1.00 H new ATOM 915 N ASP A 63 67.798 5.296 -2.428 1.00 1.00 N ATOM 916 CA ASP A 63 68.520 4.043 -2.059 1.00 1.00 C ATOM 917 C ASP A 63 69.117 3.405 -3.319 1.00 1.00 C ATOM 918 O ASP A 63 69.110 2.201 -3.481 1.00 1.00 O ATOM 919 CB ASP A 63 67.540 3.066 -1.404 1.00 1.00 C ATOM 920 CG ASP A 63 66.229 3.053 -2.192 1.00 1.00 C ATOM 921 OD1 ASP A 63 65.571 4.080 -2.228 1.00 1.00 O ATOM 922 OD2 ASP A 63 65.905 2.015 -2.747 1.00 1.00 O ATOM 0 H ASP A 63 66.784 5.256 -2.330 1.00 1.00 H new ATOM 0 HA ASP A 63 69.322 4.277 -1.359 1.00 1.00 H new ATOM 0 HB2 ASP A 63 67.971 2.065 -1.378 1.00 1.00 H new ATOM 0 HB3 ASP A 63 67.353 3.360 -0.371 1.00 1.00 H new ATOM 927 N ILE A 64 69.636 4.208 -4.209 1.00 1.00 N ATOM 928 CA ILE A 64 70.241 3.670 -5.463 1.00 1.00 C ATOM 929 C ILE A 64 71.412 4.566 -5.860 1.00 1.00 C ATOM 930 O ILE A 64 72.329 4.153 -6.542 1.00 1.00 O ATOM 931 CB ILE A 64 69.202 3.691 -6.589 1.00 1.00 C ATOM 932 CG1 ILE A 64 68.131 2.633 -6.313 1.00 1.00 C ATOM 933 CG2 ILE A 64 69.887 3.385 -7.922 1.00 1.00 C ATOM 934 CD1 ILE A 64 66.927 3.289 -5.635 1.00 1.00 C ATOM 0 H ILE A 64 69.667 5.224 -4.120 1.00 1.00 H new ATOM 0 HA ILE A 64 70.578 2.647 -5.298 1.00 1.00 H new ATOM 0 HB ILE A 64 68.738 4.676 -6.637 1.00 1.00 H new ATOM 0 HG12 ILE A 64 67.823 2.160 -7.246 1.00 1.00 H new ATOM 0 HG13 ILE A 64 68.537 1.847 -5.676 1.00 1.00 H new ATOM 0 HG21 ILE A 64 69.148 3.400 -8.723 1.00 1.00 H new ATOM 0 HG22 ILE A 64 70.651 4.137 -8.119 1.00 1.00 H new ATOM 0 HG23 ILE A 64 70.351 2.400 -7.875 1.00 1.00 H new ATOM 0 HD11 ILE A 64 66.165 2.535 -5.439 1.00 1.00 H new ATOM 0 HD12 ILE A 64 67.241 3.741 -4.694 1.00 1.00 H new ATOM 0 HD13 ILE A 64 66.516 4.059 -6.288 1.00 1.00 H new ATOM 946 N THR A 65 71.375 5.793 -5.429 1.00 1.00 N ATOM 947 CA THR A 65 72.463 6.758 -5.758 1.00 1.00 C ATOM 948 C THR A 65 72.911 6.563 -7.205 1.00 1.00 C ATOM 949 O THR A 65 74.018 6.898 -7.574 1.00 1.00 O ATOM 950 CB THR A 65 73.643 6.533 -4.813 1.00 1.00 C ATOM 951 OG1 THR A 65 74.386 5.403 -5.247 1.00 1.00 O ATOM 952 CG2 THR A 65 73.125 6.292 -3.394 1.00 1.00 C ATOM 0 H THR A 65 70.626 6.176 -4.853 1.00 1.00 H new ATOM 0 HA THR A 65 72.092 7.776 -5.638 1.00 1.00 H new ATOM 0 HB THR A 65 74.285 7.414 -4.817 1.00 1.00 H new ATOM 0 HG1 THR A 65 73.777 4.651 -5.403 1.00 1.00 H new ATOM 0 HG21 THR A 65 73.968 6.132 -2.721 1.00 1.00 H new ATOM 0 HG22 THR A 65 72.556 7.160 -3.062 1.00 1.00 H new ATOM 0 HG23 THR A 65 72.482 5.412 -3.386 1.00 1.00 H new ATOM 960 N VAL A 66 72.054 6.018 -8.020 1.00 1.00 N ATOM 961 CA VAL A 66 72.408 5.780 -9.452 1.00 1.00 C ATOM 962 C VAL A 66 73.518 4.730 -9.526 1.00 1.00 C ATOM 963 O VAL A 66 73.533 3.888 -10.402 1.00 1.00 O ATOM 964 CB VAL A 66 72.889 7.083 -10.107 1.00 1.00 C ATOM 965 CG1 VAL A 66 72.846 6.936 -11.629 1.00 1.00 C ATOM 966 CG2 VAL A 66 71.975 8.234 -9.681 1.00 1.00 C ATOM 0 H VAL A 66 71.114 5.723 -7.756 1.00 1.00 H new ATOM 0 HA VAL A 66 71.525 5.426 -9.984 1.00 1.00 H new ATOM 0 HB VAL A 66 73.911 7.293 -9.791 1.00 1.00 H new ATOM 0 HG11 VAL A 66 73.187 7.861 -12.094 1.00 1.00 H new ATOM 0 HG12 VAL A 66 73.496 6.115 -11.934 1.00 1.00 H new ATOM 0 HG13 VAL A 66 71.824 6.727 -11.946 1.00 1.00 H new ATOM 0 HG21 VAL A 66 72.315 9.160 -10.145 1.00 1.00 H new ATOM 0 HG22 VAL A 66 70.953 8.024 -9.997 1.00 1.00 H new ATOM 0 HG23 VAL A 66 72.004 8.340 -8.597 1.00 1.00 H new ATOM 976 N ILE A 67 74.442 4.768 -8.604 1.00 1.00 N ATOM 977 CA ILE A 67 75.551 3.772 -8.602 1.00 1.00 C ATOM 978 C ILE A 67 75.751 3.259 -7.176 1.00 1.00 C ATOM 979 O ILE A 67 76.501 3.825 -6.405 1.00 1.00 O ATOM 980 CB ILE A 67 76.842 4.437 -9.085 1.00 1.00 C ATOM 981 CG1 ILE A 67 76.550 5.262 -10.340 1.00 1.00 C ATOM 982 CG2 ILE A 67 77.879 3.361 -9.413 1.00 1.00 C ATOM 983 CD1 ILE A 67 77.854 5.857 -10.875 1.00 1.00 C ATOM 0 H ILE A 67 74.476 5.451 -7.847 1.00 1.00 H new ATOM 0 HA ILE A 67 75.302 2.944 -9.266 1.00 1.00 H new ATOM 0 HB ILE A 67 77.230 5.089 -8.302 1.00 1.00 H new ATOM 0 HG12 ILE A 67 76.085 4.634 -11.101 1.00 1.00 H new ATOM 0 HG13 ILE A 67 75.843 6.058 -10.108 1.00 1.00 H new ATOM 0 HG21 ILE A 67 78.798 3.835 -9.757 1.00 1.00 H new ATOM 0 HG22 ILE A 67 78.087 2.772 -8.520 1.00 1.00 H new ATOM 0 HG23 ILE A 67 77.492 2.709 -10.196 1.00 1.00 H new ATOM 0 HD11 ILE A 67 77.646 6.445 -11.769 1.00 1.00 H new ATOM 0 HD12 ILE A 67 78.300 6.498 -10.115 1.00 1.00 H new ATOM 0 HD13 ILE A 67 78.546 5.052 -11.123 1.00 1.00 H new ATOM 995 N CYS A 68 75.083 2.197 -6.816 1.00 1.00 N ATOM 996 CA CYS A 68 75.228 1.648 -5.437 1.00 1.00 C ATOM 997 C CYS A 68 75.981 0.314 -5.500 1.00 1.00 C ATOM 998 O CYS A 68 76.024 -0.331 -6.528 1.00 1.00 O ATOM 999 CB CYS A 68 73.835 1.443 -4.831 1.00 1.00 C ATOM 1000 SG CYS A 68 73.210 3.026 -4.215 1.00 1.00 S ATOM 0 H CYS A 68 74.441 1.684 -7.420 1.00 1.00 H new ATOM 0 HA CYS A 68 75.791 2.343 -4.814 1.00 1.00 H new ATOM 0 HB2 CYS A 68 73.156 1.038 -5.581 1.00 1.00 H new ATOM 0 HB3 CYS A 68 73.882 0.717 -4.019 1.00 1.00 H new ATOM 1005 N PRO A 69 76.590 -0.087 -4.411 1.00 1.00 N ATOM 1006 CA PRO A 69 77.379 -1.341 -4.318 1.00 1.00 C ATOM 1007 C PRO A 69 76.964 -2.410 -5.339 1.00 1.00 C ATOM 1008 O PRO A 69 77.771 -2.866 -6.126 1.00 1.00 O ATOM 1009 CB PRO A 69 77.095 -1.790 -2.888 1.00 1.00 C ATOM 1010 CG PRO A 69 76.922 -0.519 -2.112 1.00 1.00 C ATOM 1011 CD PRO A 69 76.586 0.599 -3.112 1.00 1.00 C ATOM 0 HA PRO A 69 78.434 -1.185 -4.542 1.00 1.00 H new ATOM 0 HB2 PRO A 69 76.199 -2.408 -2.839 1.00 1.00 H new ATOM 0 HB3 PRO A 69 77.916 -2.387 -2.491 1.00 1.00 H new ATOM 0 HG2 PRO A 69 76.125 -0.626 -1.376 1.00 1.00 H new ATOM 0 HG3 PRO A 69 77.833 -0.280 -1.563 1.00 1.00 H new ATOM 0 HD2 PRO A 69 75.616 1.049 -2.899 1.00 1.00 H new ATOM 0 HD3 PRO A 69 77.324 1.401 -3.080 1.00 1.00 H new ATOM 1019 N TRP A 70 75.726 -2.819 -5.340 1.00 1.00 N ATOM 1020 CA TRP A 70 75.297 -3.859 -6.321 1.00 1.00 C ATOM 1021 C TRP A 70 75.382 -3.292 -7.743 1.00 1.00 C ATOM 1022 O TRP A 70 74.818 -3.836 -8.671 1.00 1.00 O ATOM 1023 CB TRP A 70 73.858 -4.295 -6.021 1.00 1.00 C ATOM 1024 CG TRP A 70 73.059 -3.111 -5.580 1.00 1.00 C ATOM 1025 CD1 TRP A 70 73.112 -2.553 -4.349 1.00 1.00 C ATOM 1026 CD2 TRP A 70 72.090 -2.332 -6.341 1.00 1.00 C ATOM 1027 NE1 TRP A 70 72.239 -1.482 -4.305 1.00 1.00 N ATOM 1028 CE2 TRP A 70 71.586 -1.304 -5.508 1.00 1.00 C ATOM 1029 CE3 TRP A 70 71.606 -2.415 -7.658 1.00 1.00 C ATOM 1030 CZ2 TRP A 70 70.633 -0.391 -5.968 1.00 1.00 C ATOM 1031 CZ3 TRP A 70 70.650 -1.500 -8.123 1.00 1.00 C ATOM 1032 CH2 TRP A 70 70.164 -0.491 -7.282 1.00 1.00 C ATOM 0 H TRP A 70 74.997 -2.483 -4.711 1.00 1.00 H new ATOM 0 HA TRP A 70 75.956 -4.724 -6.239 1.00 1.00 H new ATOM 0 HB2 TRP A 70 73.409 -4.740 -6.909 1.00 1.00 H new ATOM 0 HB3 TRP A 70 73.853 -5.060 -5.244 1.00 1.00 H new ATOM 0 HD1 TRP A 70 73.735 -2.889 -3.533 1.00 1.00 H new ATOM 0 HE1 TRP A 70 72.095 -0.895 -3.484 1.00 1.00 H new ATOM 0 HE3 TRP A 70 71.973 -3.189 -8.316 1.00 1.00 H new ATOM 0 HZ2 TRP A 70 70.262 0.385 -5.315 1.00 1.00 H new ATOM 0 HZ3 TRP A 70 70.286 -1.574 -9.137 1.00 1.00 H new ATOM 0 HH2 TRP A 70 69.428 0.209 -7.648 1.00 1.00 H new ATOM 1043 N GLU A 71 76.087 -2.207 -7.918 1.00 1.00 N ATOM 1044 CA GLU A 71 76.217 -1.599 -9.274 1.00 1.00 C ATOM 1045 C GLU A 71 77.579 -0.906 -9.383 1.00 1.00 C ATOM 1046 O GLU A 71 78.167 -0.831 -10.444 1.00 1.00 O ATOM 1047 CB GLU A 71 75.100 -0.564 -9.479 1.00 1.00 C ATOM 1048 CG GLU A 71 73.897 -1.233 -10.147 1.00 1.00 C ATOM 1049 CD GLU A 71 74.243 -1.575 -11.598 1.00 1.00 C ATOM 1050 OE1 GLU A 71 74.507 -0.655 -12.355 1.00 1.00 O ATOM 1051 OE2 GLU A 71 74.239 -2.750 -11.927 1.00 1.00 O ATOM 0 H GLU A 71 76.582 -1.713 -7.175 1.00 1.00 H new ATOM 0 HA GLU A 71 76.136 -2.375 -10.035 1.00 1.00 H new ATOM 0 HB2 GLU A 71 74.806 -0.137 -8.520 1.00 1.00 H new ATOM 0 HB3 GLU A 71 75.461 0.258 -10.097 1.00 1.00 H new ATOM 0 HG2 GLU A 71 73.623 -2.138 -9.604 1.00 1.00 H new ATOM 0 HG3 GLU A 71 73.034 -0.568 -10.115 1.00 1.00 H new ATOM 1058 N ALA A 72 78.080 -0.393 -8.292 1.00 1.00 N ATOM 1059 CA ALA A 72 79.398 0.302 -8.326 1.00 1.00 C ATOM 1060 C ALA A 72 80.533 -0.726 -8.377 1.00 1.00 C ATOM 1061 O ALA A 72 80.501 -1.669 -9.143 1.00 1.00 O ATOM 1062 CB ALA A 72 79.549 1.165 -7.069 1.00 1.00 C ATOM 0 H ALA A 72 77.632 -0.426 -7.376 1.00 1.00 H new ATOM 0 HA ALA A 72 79.447 0.932 -9.214 1.00 1.00 H new ATOM 0 HB1 ALA A 72 80.512 1.675 -7.091 1.00 1.00 H new ATOM 0 HB2 ALA A 72 78.748 1.904 -7.037 1.00 1.00 H new ATOM 0 HB3 ALA A 72 79.494 0.531 -6.184 1.00 1.00 H new ATOM 1068 N CYS A 73 81.540 -0.538 -7.567 1.00 1.00 N ATOM 1069 CA CYS A 73 82.693 -1.484 -7.557 1.00 1.00 C ATOM 1070 C CYS A 73 82.185 -2.923 -7.444 1.00 1.00 C ATOM 1071 O CYS A 73 82.858 -3.858 -7.829 1.00 1.00 O ATOM 1072 CB CYS A 73 83.595 -1.169 -6.362 1.00 1.00 C ATOM 1073 SG CYS A 73 84.518 0.354 -6.685 1.00 1.00 S ATOM 0 H CYS A 73 81.614 0.236 -6.907 1.00 1.00 H new ATOM 0 HA CYS A 73 83.256 -1.374 -8.484 1.00 1.00 H new ATOM 0 HB2 CYS A 73 82.994 -1.058 -5.459 1.00 1.00 H new ATOM 0 HB3 CYS A 73 84.285 -1.994 -6.186 1.00 1.00 H new ATOM 1078 N ASN A 74 81.010 -3.115 -6.913 1.00 1.00 N ATOM 1079 CA ASN A 74 80.479 -4.501 -6.774 1.00 1.00 C ATOM 1080 C ASN A 74 81.520 -5.364 -6.055 1.00 1.00 C ATOM 1081 O ASN A 74 81.890 -5.094 -4.930 1.00 1.00 O ATOM 1082 CB ASN A 74 80.198 -5.084 -8.162 1.00 1.00 C ATOM 1083 CG ASN A 74 79.277 -4.139 -8.936 1.00 1.00 C ATOM 1084 OD1 ASN A 74 78.648 -3.275 -8.357 1.00 1.00 O ATOM 1085 ND2 ASN A 74 79.169 -4.267 -10.230 1.00 1.00 N ATOM 0 H ASN A 74 80.396 -2.376 -6.570 1.00 1.00 H new ATOM 0 HA ASN A 74 79.553 -4.485 -6.198 1.00 1.00 H new ATOM 0 HB2 ASN A 74 81.133 -5.224 -8.705 1.00 1.00 H new ATOM 0 HB3 ASN A 74 79.734 -6.066 -8.069 1.00 1.00 H new ATOM 0 HD21 ASN A 74 78.557 -3.642 -10.755 1.00 1.00 H new ATOM 0 HD22 ASN A 74 79.697 -4.992 -10.717 1.00 1.00 H new ATOM 1092 N HIS A 75 82.001 -6.394 -6.697 1.00 1.00 N ATOM 1093 CA HIS A 75 83.024 -7.267 -6.052 1.00 1.00 C ATOM 1094 C HIS A 75 82.597 -7.597 -4.618 1.00 1.00 C ATOM 1095 O HIS A 75 81.907 -8.568 -4.375 1.00 1.00 O ATOM 1096 CB HIS A 75 84.370 -6.537 -6.032 1.00 1.00 C ATOM 1097 CG HIS A 75 85.374 -7.354 -5.267 1.00 1.00 C ATOM 1098 ND1 HIS A 75 85.720 -7.063 -3.956 1.00 1.00 N ATOM 1099 CD2 HIS A 75 86.117 -8.457 -5.615 1.00 1.00 C ATOM 1100 CE1 HIS A 75 86.632 -7.970 -3.564 1.00 1.00 C ATOM 1101 NE2 HIS A 75 86.908 -8.841 -4.537 1.00 1.00 N ATOM 0 H HIS A 75 81.730 -6.669 -7.641 1.00 1.00 H new ATOM 0 HA HIS A 75 83.118 -8.194 -6.618 1.00 1.00 H new ATOM 0 HB2 HIS A 75 84.721 -6.371 -7.051 1.00 1.00 H new ATOM 0 HB3 HIS A 75 84.257 -5.556 -5.571 1.00 1.00 H new ATOM 0 HD2 HIS A 75 86.091 -8.949 -6.576 1.00 1.00 H new ATOM 0 HE1 HIS A 75 87.085 -7.991 -2.584 1.00 1.00 H new ATOM 0 HE2 HIS A 75 87.561 -9.623 -4.498 1.00 1.00 H new ATOM 1110 N CYS A 76 83.005 -6.801 -3.666 1.00 1.00 N ATOM 1111 CA CYS A 76 82.626 -7.074 -2.250 1.00 1.00 C ATOM 1112 C CYS A 76 82.866 -8.553 -1.938 1.00 1.00 C ATOM 1113 O CYS A 76 81.982 -9.253 -1.487 1.00 1.00 O ATOM 1114 CB CYS A 76 81.146 -6.743 -2.041 1.00 1.00 C ATOM 1115 SG CYS A 76 80.933 -4.947 -1.960 1.00 1.00 S ATOM 0 H CYS A 76 83.584 -5.974 -3.808 1.00 1.00 H new ATOM 0 HA CYS A 76 83.231 -6.456 -1.586 1.00 1.00 H new ATOM 0 HB2 CYS A 76 80.552 -7.154 -2.857 1.00 1.00 H new ATOM 0 HB3 CYS A 76 80.786 -7.204 -1.121 1.00 1.00 H new ATOM 1120 N GLU A 77 84.054 -9.031 -2.179 1.00 1.00 N ATOM 1121 CA GLU A 77 84.351 -10.463 -1.902 1.00 1.00 C ATOM 1122 C GLU A 77 84.413 -10.690 -0.390 1.00 1.00 C ATOM 1123 O GLU A 77 83.439 -11.069 0.231 1.00 1.00 O ATOM 1124 CB GLU A 77 85.697 -10.830 -2.529 1.00 1.00 C ATOM 1125 CG GLU A 77 86.015 -12.298 -2.236 1.00 1.00 C ATOM 1126 CD GLU A 77 87.240 -12.727 -3.045 1.00 1.00 C ATOM 1127 OE1 GLU A 77 88.279 -12.108 -2.883 1.00 1.00 O ATOM 1128 OE2 GLU A 77 87.119 -13.666 -3.814 1.00 1.00 O ATOM 0 H GLU A 77 84.833 -8.491 -2.556 1.00 1.00 H new ATOM 0 HA GLU A 77 83.566 -11.088 -2.329 1.00 1.00 H new ATOM 0 HB2 GLU A 77 85.666 -10.662 -3.605 1.00 1.00 H new ATOM 0 HB3 GLU A 77 86.483 -10.190 -2.128 1.00 1.00 H new ATOM 0 HG2 GLU A 77 86.203 -12.435 -1.171 1.00 1.00 H new ATOM 0 HG3 GLU A 77 85.160 -12.924 -2.491 1.00 1.00 H new ATOM 1135 N LEU A 78 85.550 -10.465 0.206 1.00 1.00 N ATOM 1136 CA LEU A 78 85.676 -10.670 1.676 1.00 1.00 C ATOM 1137 C LEU A 78 87.005 -10.086 2.156 1.00 1.00 C ATOM 1138 O LEU A 78 87.949 -9.971 1.400 1.00 1.00 O ATOM 1139 CB LEU A 78 85.632 -12.172 1.981 1.00 1.00 C ATOM 1140 CG LEU A 78 85.815 -12.402 3.482 1.00 1.00 C ATOM 1141 CD1 LEU A 78 84.860 -13.501 3.952 1.00 1.00 C ATOM 1142 CD2 LEU A 78 87.258 -12.830 3.759 1.00 1.00 C ATOM 0 H LEU A 78 86.399 -10.147 -0.262 1.00 1.00 H new ATOM 0 HA LEU A 78 84.855 -10.171 2.191 1.00 1.00 H new ATOM 0 HB2 LEU A 78 84.681 -12.591 1.653 1.00 1.00 H new ATOM 0 HB3 LEU A 78 86.416 -12.688 1.427 1.00 1.00 H new ATOM 0 HG LEU A 78 85.598 -11.479 4.019 1.00 1.00 H new ATOM 0 HD11 LEU A 78 84.991 -13.664 5.022 1.00 1.00 H new ATOM 0 HD12 LEU A 78 83.832 -13.198 3.755 1.00 1.00 H new ATOM 0 HD13 LEU A 78 85.076 -14.425 3.415 1.00 1.00 H new ATOM 0 HD21 LEU A 78 87.390 -12.994 4.828 1.00 1.00 H new ATOM 0 HD22 LEU A 78 87.473 -13.753 3.221 1.00 1.00 H new ATOM 0 HD23 LEU A 78 87.940 -12.048 3.425 1.00 1.00 H new ATOM 1154 N HIS A 79 87.086 -9.718 3.407 1.00 1.00 N ATOM 1155 CA HIS A 79 88.354 -9.141 3.942 1.00 1.00 C ATOM 1156 C HIS A 79 88.672 -9.782 5.298 1.00 1.00 C ATOM 1157 O HIS A 79 89.520 -10.645 5.402 1.00 1.00 O ATOM 1158 CB HIS A 79 88.193 -7.626 4.109 1.00 1.00 C ATOM 1159 CG HIS A 79 87.393 -7.078 2.959 1.00 1.00 C ATOM 1160 ND1 HIS A 79 87.772 -7.267 1.639 1.00 1.00 N ATOM 1161 CD2 HIS A 79 86.232 -6.345 2.916 1.00 1.00 C ATOM 1162 CE1 HIS A 79 86.857 -6.660 0.862 1.00 1.00 C ATOM 1163 NE2 HIS A 79 85.899 -6.084 1.590 1.00 1.00 N ATOM 0 H HIS A 79 86.326 -9.792 4.084 1.00 1.00 H new ATOM 0 HA HIS A 79 89.170 -9.342 3.248 1.00 1.00 H new ATOM 0 HB2 HIS A 79 87.693 -7.404 5.052 1.00 1.00 H new ATOM 0 HB3 HIS A 79 89.172 -7.147 4.146 1.00 1.00 H new ATOM 0 HD1 HIS A 79 88.596 -7.774 1.316 1.00 1.00 H new ATOM 0 HD2 HIS A 79 85.666 -6.022 3.777 1.00 1.00 H new ATOM 0 HE1 HIS A 79 86.893 -6.641 -0.217 1.00 1.00 H new ATOM 1172 N GLU A 80 87.996 -9.369 6.336 1.00 1.00 N ATOM 1173 CA GLU A 80 88.257 -9.955 7.684 1.00 1.00 C ATOM 1174 C GLU A 80 86.942 -10.033 8.462 1.00 1.00 C ATOM 1175 O GLU A 80 86.383 -11.095 8.651 1.00 1.00 O ATOM 1176 CB GLU A 80 89.249 -9.070 8.443 1.00 1.00 C ATOM 1177 CG GLU A 80 90.669 -9.357 7.952 1.00 1.00 C ATOM 1178 CD GLU A 80 91.637 -8.343 8.566 1.00 1.00 C ATOM 1179 OE1 GLU A 80 91.683 -8.259 9.782 1.00 1.00 O ATOM 1180 OE2 GLU A 80 92.314 -7.668 7.809 1.00 1.00 O ATOM 0 H GLU A 80 87.273 -8.650 6.309 1.00 1.00 H new ATOM 0 HA GLU A 80 88.677 -10.955 7.574 1.00 1.00 H new ATOM 0 HB2 GLU A 80 89.006 -8.019 8.290 1.00 1.00 H new ATOM 0 HB3 GLU A 80 89.178 -9.261 9.514 1.00 1.00 H new ATOM 0 HG2 GLU A 80 90.963 -10.370 8.228 1.00 1.00 H new ATOM 0 HG3 GLU A 80 90.707 -9.300 6.864 1.00 1.00 H new ATOM 1187 N LEU A 81 86.443 -8.915 8.910 1.00 1.00 N ATOM 1188 CA LEU A 81 85.163 -8.925 9.670 1.00 1.00 C ATOM 1189 C LEU A 81 84.012 -9.227 8.708 1.00 1.00 C ATOM 1190 O LEU A 81 82.968 -9.708 9.102 1.00 1.00 O ATOM 1191 CB LEU A 81 84.945 -7.557 10.321 1.00 1.00 C ATOM 1192 CG LEU A 81 86.262 -7.061 10.922 1.00 1.00 C ATOM 1193 CD1 LEU A 81 85.999 -5.815 11.769 1.00 1.00 C ATOM 1194 CD2 LEU A 81 86.863 -8.158 11.803 1.00 1.00 C ATOM 0 H LEU A 81 86.866 -7.996 8.783 1.00 1.00 H new ATOM 0 HA LEU A 81 85.201 -9.689 10.446 1.00 1.00 H new ATOM 0 HB2 LEU A 81 84.580 -6.845 9.581 1.00 1.00 H new ATOM 0 HB3 LEU A 81 84.183 -7.629 11.097 1.00 1.00 H new ATOM 0 HG LEU A 81 86.958 -6.815 10.120 1.00 1.00 H new ATOM 0 HD11 LEU A 81 86.937 -5.462 12.197 1.00 1.00 H new ATOM 0 HD12 LEU A 81 85.569 -5.034 11.143 1.00 1.00 H new ATOM 0 HD13 LEU A 81 85.304 -6.061 12.572 1.00 1.00 H new ATOM 0 HD21 LEU A 81 87.801 -7.807 12.232 1.00 1.00 H new ATOM 0 HD22 LEU A 81 86.167 -8.403 12.605 1.00 1.00 H new ATOM 0 HD23 LEU A 81 87.050 -9.047 11.201 1.00 1.00 H new ATOM 1206 N ALA A 82 84.199 -8.950 7.445 1.00 1.00 N ATOM 1207 CA ALA A 82 83.123 -9.221 6.450 1.00 1.00 C ATOM 1208 C ALA A 82 82.927 -10.731 6.304 1.00 1.00 C ATOM 1209 O ALA A 82 82.534 -11.214 5.261 1.00 1.00 O ATOM 1210 CB ALA A 82 83.525 -8.635 5.097 1.00 1.00 C ATOM 0 H ALA A 82 85.053 -8.547 7.060 1.00 1.00 H new ATOM 0 HA ALA A 82 82.194 -8.763 6.790 1.00 1.00 H new ATOM 0 HB1 ALA A 82 82.740 -8.832 4.367 1.00 1.00 H new ATOM 0 HB2 ALA A 82 83.668 -7.559 5.195 1.00 1.00 H new ATOM 0 HB3 ALA A 82 84.455 -9.096 4.763 1.00 1.00 H new ATOM 1216 N GLN A 83 83.197 -11.483 7.338 1.00 1.00 N ATOM 1217 CA GLN A 83 83.023 -12.960 7.249 1.00 1.00 C ATOM 1218 C GLN A 83 81.686 -13.267 6.574 1.00 1.00 C ATOM 1219 O GLN A 83 81.604 -14.089 5.683 1.00 1.00 O ATOM 1220 CB GLN A 83 83.044 -13.564 8.660 1.00 1.00 C ATOM 1221 CG GLN A 83 82.678 -15.048 8.593 1.00 1.00 C ATOM 1222 CD GLN A 83 81.266 -15.252 9.145 1.00 1.00 C ATOM 1223 OE1 GLN A 83 80.865 -14.587 10.080 1.00 1.00 O ATOM 1224 NE2 GLN A 83 80.490 -16.150 8.603 1.00 1.00 N ATOM 0 H GLN A 83 83.530 -11.138 8.238 1.00 1.00 H new ATOM 0 HA GLN A 83 83.834 -13.393 6.663 1.00 1.00 H new ATOM 0 HB2 GLN A 83 84.033 -13.443 9.103 1.00 1.00 H new ATOM 0 HB3 GLN A 83 82.340 -13.035 9.303 1.00 1.00 H new ATOM 0 HG2 GLN A 83 82.731 -15.400 7.563 1.00 1.00 H new ATOM 0 HG3 GLN A 83 83.393 -15.636 9.168 1.00 1.00 H new ATOM 0 HE21 GLN A 83 80.826 -16.708 7.818 1.00 1.00 H new ATOM 0 HE22 GLN A 83 79.547 -16.294 8.964 1.00 1.00 H new ATOM 1233 N TYR A 84 80.641 -12.599 6.982 1.00 1.00 N ATOM 1234 CA TYR A 84 79.311 -12.837 6.354 1.00 1.00 C ATOM 1235 C TYR A 84 78.283 -11.861 6.934 1.00 1.00 C ATOM 1236 O TYR A 84 77.094 -12.110 6.909 1.00 1.00 O ATOM 1237 CB TYR A 84 78.853 -14.277 6.613 1.00 1.00 C ATOM 1238 CG TYR A 84 77.857 -14.682 5.553 1.00 1.00 C ATOM 1239 CD1 TYR A 84 78.296 -14.981 4.258 1.00 1.00 C ATOM 1240 CD2 TYR A 84 76.494 -14.757 5.865 1.00 1.00 C ATOM 1241 CE1 TYR A 84 77.372 -15.356 3.275 1.00 1.00 C ATOM 1242 CE2 TYR A 84 75.571 -15.133 4.882 1.00 1.00 C ATOM 1243 CZ TYR A 84 76.010 -15.432 3.587 1.00 1.00 C ATOM 1244 OH TYR A 84 75.099 -15.802 2.618 1.00 1.00 O ATOM 0 H TYR A 84 80.651 -11.899 7.723 1.00 1.00 H new ATOM 0 HA TYR A 84 79.397 -12.679 5.279 1.00 1.00 H new ATOM 0 HB2 TYR A 84 79.709 -14.951 6.600 1.00 1.00 H new ATOM 0 HB3 TYR A 84 78.401 -14.355 7.602 1.00 1.00 H new ATOM 0 HD1 TYR A 84 79.347 -14.922 4.017 1.00 1.00 H new ATOM 0 HD2 TYR A 84 76.155 -14.525 6.864 1.00 1.00 H new ATOM 0 HE1 TYR A 84 77.711 -15.587 2.276 1.00 1.00 H new ATOM 0 HE2 TYR A 84 74.520 -15.192 5.123 1.00 1.00 H new ATOM 0 HH TYR A 84 74.197 -15.806 3.001 1.00 1.00 H new ATOM 1254 N GLY A 85 78.729 -10.750 7.447 1.00 1.00 N ATOM 1255 CA GLY A 85 77.771 -9.760 8.014 1.00 1.00 C ATOM 1256 C GLY A 85 77.020 -9.083 6.868 1.00 1.00 C ATOM 1257 O GLY A 85 76.813 -7.886 6.873 1.00 1.00 O ATOM 0 H GLY A 85 79.712 -10.484 7.499 1.00 1.00 H new ATOM 0 HA2 GLY A 85 77.068 -10.256 8.683 1.00 1.00 H new ATOM 0 HA3 GLY A 85 78.304 -9.016 8.606 1.00 1.00 H new ATOM 1261 N ILE A 86 76.624 -9.843 5.880 1.00 1.00 N ATOM 1262 CA ILE A 86 75.895 -9.263 4.711 1.00 1.00 C ATOM 1263 C ILE A 86 75.075 -8.037 5.133 1.00 1.00 C ATOM 1264 O ILE A 86 74.080 -8.138 5.820 1.00 1.00 O ATOM 1265 CB ILE A 86 74.966 -10.324 4.115 1.00 1.00 C ATOM 1266 CG1 ILE A 86 74.213 -11.032 5.243 1.00 1.00 C ATOM 1267 CG2 ILE A 86 75.793 -11.348 3.335 1.00 1.00 C ATOM 1268 CD1 ILE A 86 72.970 -11.719 4.675 1.00 1.00 C ATOM 0 H ILE A 86 76.776 -10.851 5.832 1.00 1.00 H new ATOM 0 HA ILE A 86 76.625 -8.948 3.965 1.00 1.00 H new ATOM 0 HB ILE A 86 74.253 -9.846 3.444 1.00 1.00 H new ATOM 0 HG12 ILE A 86 74.861 -11.767 5.722 1.00 1.00 H new ATOM 0 HG13 ILE A 86 73.925 -10.313 6.010 1.00 1.00 H new ATOM 0 HG21 ILE A 86 75.131 -12.103 2.911 1.00 1.00 H new ATOM 0 HG22 ILE A 86 76.331 -10.845 2.532 1.00 1.00 H new ATOM 0 HG23 ILE A 86 76.506 -11.826 4.006 1.00 1.00 H new ATOM 0 HD11 ILE A 86 72.434 -12.223 5.479 1.00 1.00 H new ATOM 0 HD12 ILE A 86 72.320 -10.974 4.217 1.00 1.00 H new ATOM 0 HD13 ILE A 86 73.269 -12.450 3.924 1.00 1.00 H new ATOM 1280 N CYS A 87 75.488 -6.875 4.714 1.00 1.00 N ATOM 1281 CA CYS A 87 74.737 -5.641 5.076 1.00 1.00 C ATOM 1282 C CYS A 87 73.339 -5.699 4.453 1.00 1.00 C ATOM 1283 CB CYS A 87 75.494 -4.421 4.544 1.00 1.00 C ATOM 1284 SG CYS A 87 74.314 -3.126 4.090 1.00 1.00 S ATOM 0 H CYS A 87 76.315 -6.726 4.135 1.00 1.00 H new ATOM 0 HA CYS A 87 74.644 -5.565 6.159 1.00 1.00 H new ATOM 0 HB2 CYS A 87 76.184 -4.049 5.302 1.00 1.00 H new ATOM 0 HB3 CYS A 87 76.093 -4.701 3.678 1.00 1.00 H new TER 1289 CYS A 87 HETATM 1290 C1C RCY A 110 64.638 -7.746 -6.060 1.00 1.00 C HETATM 1291 O1G RCY A 110 60.562 -11.175 -6.870 1.00 1.00 O HETATM 1292 O1H RCY A 110 65.095 -10.115 -7.664 1.00 1.00 O HETATM 1293 O1J RCY A 110 63.009 -5.505 -4.880 1.00 1.00 O HETATM 1294 C1L RCY A 110 62.504 -12.511 -7.529 1.00 1.00 C HETATM 1295 C1M RCY A 110 61.013 -8.380 -6.446 1.00 1.00 C HETATM 1296 C1P RCY A 110 61.754 -11.221 -7.170 1.00 1.00 C HETATM 1297 C1Q RCY A 110 63.970 -10.605 -7.752 1.00 1.00 C HETATM 1298 N1R RCY A 110 62.672 -10.001 -7.231 1.00 1.00 N HETATM 1299 C1S RCY A 110 63.619 -11.930 -8.405 1.00 1.00 C HETATM 1300 C1U RCY A 110 62.375 -8.546 -6.866 1.00 1.00 C HETATM 1301 C1V RCY A 110 63.113 -9.028 -4.493 1.00 1.00 C HETATM 1302 N1V RCY A 110 62.446 -6.769 -5.343 1.00 1.00 N HETATM 1303 C1W RCY A 110 60.977 -7.097 -5.607 1.00 1.00 C HETATM 1304 C1X RCY A 110 63.191 -8.056 -5.671 1.00 1.00 C HETATM 1305 C1Y RCY A 110 60.237 -7.336 -4.288 1.00 1.00 C HETATM 1306 C1Z RCY A 110 60.339 -5.944 -6.382 1.00 1.00 C HETATM 0 H1ZB RCY A 110 60.916 -5.750 -7.286 1.00 1.00 H new HETATM 0 H1ZA RCY A 110 59.317 -6.209 -6.653 1.00 1.00 H new HETATM 0 H1MA RCY A 110 60.347 -8.302 -7.306 1.00 1.00 H new HETATM 0 H1LA RCY A 110 62.890 -13.028 -6.650 1.00 1.00 H new HETATM 0 H1CA RCY A 110 64.651 -6.969 -6.824 1.00 1.00 H new HETATM 0 H1Z RCY A 110 60.329 -5.049 -5.760 1.00 1.00 H new HETATM 0 H1S RCY A 110 63.283 -11.789 -9.432 1.00 1.00 H new HETATM 0 H1L RCY A 110 61.878 -13.222 -8.068 1.00 1.00 H new HETATM 0 H1C RCY A 110 65.185 -7.401 -5.183 1.00 1.00 H new HETATM 1309 C1C RCY A 121 60.567 -8.145 2.182 1.00 1.00 C HETATM 1310 O1G RCY A 121 64.709 -4.854 2.061 1.00 1.00 O HETATM 1311 O1H RCY A 121 61.051 -6.393 4.621 1.00 1.00 O HETATM 1312 O1J RCY A 121 60.323 -8.535 -0.795 1.00 1.00 O HETATM 1313 C1L RCY A 121 64.290 -4.995 4.468 1.00 1.00 C HETATM 1314 C1M RCY A 121 62.539 -5.617 0.335 1.00 1.00 C HETATM 1315 C1P RCY A 121 63.942 -5.135 2.980 1.00 1.00 C HETATM 1316 C1Q RCY A 121 62.004 -5.731 4.214 1.00 1.00 C HETATM 1317 N1R RCY A 121 62.524 -5.669 2.783 1.00 1.00 N HETATM 1318 C1S RCY A 121 62.884 -4.819 5.051 1.00 1.00 C HETATM 1319 C1U RCY A 121 61.801 -6.046 1.488 1.00 1.00 C HETATM 1320 C1V RCY A 121 63.007 -8.273 1.508 1.00 1.00 C HETATM 1321 N1V RCY A 121 61.264 -7.614 -0.165 1.00 1.00 N HETATM 1322 C1W RCY A 121 62.059 -6.491 -0.830 1.00 1.00 C HETATM 1323 C1X RCY A 121 61.671 -7.557 1.301 1.00 1.00 C HETATM 1324 C1Y RCY A 121 63.251 -7.064 -1.601 1.00 1.00 C HETATM 1325 C1Z RCY A 121 61.136 -5.711 -1.766 1.00 1.00 C HETATM 0 H1ZB RCY A 121 60.264 -5.364 -1.211 1.00 1.00 H new HETATM 0 H1ZA RCY A 121 61.672 -4.854 -2.174 1.00 1.00 H new HETATM 0 H1YB RCY A 121 63.854 -6.247 -1.998 1.00 1.00 H new HETATM 0 H1YA RCY A 121 63.859 -7.672 -0.931 1.00 1.00 H new HETATM 0 H1VB RCY A 121 63.314 -8.177 2.549 1.00 1.00 H new HETATM 0 H1VA RCY A 121 62.897 -9.328 1.258 1.00 1.00 H new HETATM 0 H1MA RCY A 121 62.360 -4.562 0.129 1.00 1.00 H new HETATM 0 H1LA RCY A 121 64.798 -5.875 4.862 1.00 1.00 H new HETATM 0 H1CA RCY A 121 59.613 -7.685 1.925 1.00 1.00 H new HETATM 0 H1Y RCY A 121 62.890 -7.681 -2.424 1.00 1.00 H new HETATM 0 H1V RCY A 121 63.764 -7.825 0.864 1.00 1.00 H new HETATM 0 H1S RCY A 121 62.555 -3.782 4.986 1.00 1.00 H new HETATM 0 H1M RCY A 121 63.611 -5.734 0.493 1.00 1.00 H new HETATM 0 H1L RCY A 121 64.935 -4.139 4.667 1.00 1.00 H new HETATM 0 H1C RCY A 121 60.506 -9.221 2.020 1.00 1.00 H new HETATM 1328 C1C RCY A 130 73.759 10.006 5.540 1.00 1.00 C HETATM 1329 O1G RCY A 130 75.471 13.486 6.464 1.00 1.00 O HETATM 1330 O1H RCY A 130 72.091 11.180 8.821 1.00 1.00 O HETATM 1331 O1J RCY A 130 71.308 8.994 6.966 1.00 1.00 O HETATM 1332 C1L RCY A 130 75.227 12.801 8.801 1.00 1.00 C HETATM 1333 C1M RCY A 130 71.250 12.694 5.960 1.00 1.00 C HETATM 1334 C1P RCY A 130 74.786 12.960 7.340 1.00 1.00 C HETATM 1335 C1Q RCY A 130 72.975 11.979 8.517 1.00 1.00 C HETATM 1336 N1R RCY A 130 73.390 12.384 7.109 1.00 1.00 N HETATM 1337 C1S RCY A 130 73.856 12.748 9.484 1.00 1.00 C HETATM 1338 C1U RCY A 130 72.604 12.244 5.804 1.00 1.00 C HETATM 1339 C1V RCY A 130 71.936 10.692 3.917 1.00 1.00 C HETATM 1340 N1V RCY A 130 71.403 10.306 6.333 1.00 1.00 N HETATM 1341 C1W RCY A 130 70.463 11.497 6.509 1.00 1.00 C HETATM 1342 C1X RCY A 130 72.460 10.791 5.351 1.00 1.00 C HETATM 1343 C1Y RCY A 130 69.175 11.286 5.708 1.00 1.00 C HETATM 1344 C1Z RCY A 130 70.150 11.673 7.995 1.00 1.00 C HETATM 0 H1ZB RCY A 130 71.081 11.762 8.555 1.00 1.00 H new HETATM 0 H1ZA RCY A 130 69.554 12.574 8.137 1.00 1.00 H new HETATM 0 H1YB RCY A 130 68.553 12.179 5.777 1.00 1.00 H new HETATM 0 H1YA RCY A 130 69.423 11.096 4.664 1.00 1.00 H new HETATM 0 H1VB RCY A 130 72.680 11.094 3.229 1.00 1.00 H new HETATM 0 H1MA RCY A 130 71.198 13.541 6.644 1.00 1.00 H new HETATM 0 H1LA RCY A 130 75.810 11.895 8.965 1.00 1.00 H new HETATM 0 H1CB RCY A 130 74.553 10.470 4.954 1.00 1.00 H new HETATM 0 H1CA RCY A 130 74.036 10.010 6.594 1.00 1.00 H new HETATM 0 H1Z RCY A 130 69.592 10.808 8.354 1.00 1.00 H new HETATM 0 H1Y RCY A 130 68.631 10.433 6.112 1.00 1.00 H new HETATM 0 H1U RCY A 130 73.171 12.834 5.084 1.00 1.00 H new HETATM 0 H1S RCY A 130 73.465 13.749 9.666 1.00 1.00 H new HETATM 0 H1M RCY A 130 70.838 13.027 5.007 1.00 1.00 H new HETATM 0 H1L RCY A 130 75.834 13.638 9.147 1.00 1.00 H new HETATM 0 H1C RCY A 130 73.615 8.978 5.206 1.00 1.00 H new HETATM 1347 C1C RCY A 138 83.557 3.861 -0.162 1.00 1.00 C HETATM 1348 O1G RCY A 138 81.971 8.242 2.271 1.00 1.00 O HETATM 1349 O1H RCY A 138 83.687 6.503 -1.771 1.00 1.00 O HETATM 1350 O1J RCY A 138 84.204 2.279 2.317 1.00 1.00 O HETATM 1351 C1L RCY A 138 81.760 8.925 -0.070 1.00 1.00 C HETATM 1352 C1M RCY A 138 83.777 6.058 2.808 1.00 1.00 C HETATM 1353 C1P RCY A 138 82.275 8.066 1.092 1.00 1.00 C HETATM 1354 C1Q RCY A 138 83.324 7.274 -0.884 1.00 1.00 C HETATM 1355 N1R RCY A 138 83.213 6.963 0.603 1.00 1.00 N HETATM 1356 C1S RCY A 138 82.901 8.720 -1.073 1.00 1.00 C HETATM 1357 C1U RCY A 138 83.875 5.833 1.394 1.00 1.00 C HETATM 1358 C1V RCY A 138 81.675 4.580 1.377 1.00 1.00 C HETATM 1359 N1V RCY A 138 83.814 3.686 2.323 1.00 1.00 N HETATM 1360 C1W RCY A 138 83.942 4.685 3.471 1.00 1.00 C HETATM 1361 C1X RCY A 138 83.190 4.483 1.187 1.00 1.00 C HETATM 1362 C1Y RCY A 138 82.840 4.452 4.509 1.00 1.00 C HETATM 1363 C1Z RCY A 138 85.323 4.539 4.110 1.00 1.00 C HETATM 0 H1ZB RCY A 138 86.091 4.649 3.345 1.00 1.00 H new HETATM 0 H1VB RCY A 138 81.248 5.200 0.588 1.00 1.00 H new HETATM 0 H1MA RCY A 138 84.549 6.749 3.147 1.00 1.00 H new HETATM 0 H1LA RCY A 138 80.800 8.577 -0.453 1.00 1.00 H new HETATM 0 H1CB RCY A 138 83.248 4.528 -0.966 1.00 1.00 H new HETATM 0 H1CA RCY A 138 84.635 3.709 -0.211 1.00 1.00 H new HETATM 0 H1V RCY A 138 81.458 5.027 2.347 1.00 1.00 H new HETATM 0 H1U RCY A 138 84.904 5.820 1.033 1.00 1.00 H new HETATM 0 H1S RCY A 138 83.728 9.403 -0.878 1.00 1.00 H new HETATM 0 H1M RCY A 138 82.816 6.502 3.066 1.00 1.00 H new HETATM 0 H1L RCY A 138 81.632 9.971 0.209 1.00 1.00 H new HETATM 0 H1C RCY A 138 83.050 2.902 -0.271 1.00 1.00 H new HETATM 1366 C1C RCY A 150 84.390 2.088 1.078 1.00 1.00 C HETATM 1367 O1G RCY A 150 86.488 2.869 4.768 1.00 1.00 O HETATM 1368 O1H RCY A 150 87.231 4.581 0.430 1.00 1.00 O HETATM 1369 O1J RCY A 150 83.786 0.876 3.768 1.00 1.00 O HETATM 1370 C1L RCY A 150 88.476 3.039 3.352 1.00 1.00 C HETATM 1371 C1M RCY A 150 84.261 4.681 3.715 1.00 1.00 C HETATM 1372 C1P RCY A 150 86.988 3.189 3.690 1.00 1.00 C HETATM 1373 C1Q RCY A 150 87.267 3.875 1.436 1.00 1.00 C HETATM 1374 N1R RCY A 150 86.203 3.784 2.523 1.00 1.00 N HETATM 1375 C1S RCY A 150 88.388 2.929 1.826 1.00 1.00 C HETATM 1376 C1U RCY A 150 84.729 4.188 2.451 1.00 1.00 C HETATM 1377 C1V RCY A 150 82.390 3.471 1.794 1.00 1.00 C HETATM 1378 N1V RCY A 150 83.807 2.311 3.503 1.00 1.00 N HETATM 1379 C1W RCY A 150 83.836 3.448 4.523 1.00 1.00 C HETATM 1380 C1X RCY A 150 83.805 3.009 2.150 1.00 1.00 C HETATM 1381 C1Y RCY A 150 82.447 3.657 5.133 1.00 1.00 C HETATM 1382 C1Z RCY A 150 84.858 3.119 5.611 1.00 1.00 C HETATM 0 H1ZB RCY A 150 85.826 2.916 5.152 1.00 1.00 H new HETATM 0 H1ZA RCY A 150 84.950 3.965 6.292 1.00 1.00 H new HETATM 0 H1VA RCY A 150 81.738 2.603 1.697 1.00 1.00 H new HETATM 0 H1LA RCY A 150 89.066 3.897 3.675 1.00 1.00 H new HETATM 0 H1CB RCY A 150 84.538 2.651 0.156 1.00 1.00 H new HETATM 0 H1CA RCY A 150 85.347 1.694 1.420 1.00 1.00 H new HETATM 0 H1Z RCY A 150 84.529 2.241 6.166 1.00 1.00 H new HETATM 0 H1Y RCY A 150 82.163 2.772 5.702 1.00 1.00 H new HETATM 0 H1S RCY A 150 88.171 1.907 1.514 1.00 1.00 H new HETATM 0 H1L RCY A 150 88.921 2.155 3.809 1.00 1.00 H new HETATM 0 H1C RCY A 150 83.703 1.262 0.893 1.00 1.00 H new HETATM 1385 C1C RCY A 160 74.850 5.327 2.381 1.00 1.00 C HETATM 1386 O1G RCY A 160 73.586 7.333 7.029 1.00 1.00 O HETATM 1387 O1H RCY A 160 71.770 6.770 2.706 1.00 1.00 O HETATM 1388 O1J RCY A 160 75.109 2.347 2.722 1.00 1.00 O HETATM 1389 C1L RCY A 160 72.085 8.690 5.653 1.00 1.00 C HETATM 1390 C1M RCY A 160 73.109 4.174 5.436 1.00 1.00 C HETATM 1391 C1P RCY A 160 72.997 7.496 5.961 1.00 1.00 C HETATM 1392 C1Q RCY A 160 72.274 7.264 3.713 1.00 1.00 C HETATM 1393 N1R RCY A 160 73.082 6.533 4.778 1.00 1.00 N HETATM 1394 C1S RCY A 160 72.204 8.723 4.125 1.00 1.00 C HETATM 1395 C1U RCY A 160 73.793 5.182 4.677 1.00 1.00 C HETATM 1396 C1V RCY A 160 72.417 4.653 2.618 1.00 1.00 C HETATM 1397 N1V RCY A 160 74.233 3.189 3.530 1.00 1.00 N HETATM 1398 C1W RCY A 160 73.538 2.827 4.841 1.00 1.00 C HETATM 1399 C1X RCY A 160 73.808 4.625 3.254 1.00 1.00 C HETATM 1400 C1Y RCY A 160 72.316 1.943 4.574 1.00 1.00 C HETATM 1401 C1Z RCY A 160 74.533 2.109 5.753 1.00 1.00 C HETATM 0 H1ZB RCY A 160 75.420 2.729 5.883 1.00 1.00 H new HETATM 0 H1ZA RCY A 160 74.072 1.928 6.724 1.00 1.00 H new HETATM 0 H1YB RCY A 160 71.786 1.763 5.509 1.00 1.00 H new HETATM 0 H1YA RCY A 160 71.651 2.444 3.870 1.00 1.00 H new HETATM 0 H1VB RCY A 160 72.102 5.687 2.477 1.00 1.00 H new HETATM 0 H1VA RCY A 160 72.448 4.148 1.652 1.00 1.00 H new HETATM 0 H1MA RCY A 160 73.373 4.235 6.492 1.00 1.00 H new HETATM 0 H1CB RCY A 160 74.623 6.392 2.329 1.00 1.00 H new HETATM 0 H1CA RCY A 160 75.841 5.187 2.814 1.00 1.00 H new HETATM 0 H1Z RCY A 160 74.818 1.158 5.303 1.00 1.00 H new HETATM 0 H1Y RCY A 160 72.640 0.992 4.152 1.00 1.00 H new HETATM 0 H1V RCY A 160 71.708 4.144 3.271 1.00 1.00 H new HETATM 0 H1U RCY A 160 74.801 5.381 5.041 1.00 1.00 H new HETATM 0 H1S RCY A 160 73.094 9.267 3.809 1.00 1.00 H new HETATM 0 H1M RCY A 160 72.029 4.303 5.370 1.00 1.00 H new HETATM 0 H1L RCY A 160 72.433 9.612 6.119 1.00 1.00 H new HETATM 0 H1C RCY A 160 74.829 4.902 1.377 1.00 1.00 H new HETATM 1404 C1C RCY A 168 78.872 2.242 -2.751 1.00 1.00 C HETATM 1405 O1G RCY A 168 74.901 2.986 0.637 1.00 1.00 O HETATM 1406 O1H RCY A 168 75.789 1.554 -3.774 1.00 1.00 O HETATM 1407 O1J RCY A 168 80.635 0.118 -1.546 1.00 1.00 O HETATM 1408 C1L RCY A 168 73.645 3.137 -1.457 1.00 1.00 C HETATM 1409 C1M RCY A 168 77.080 0.347 -0.126 1.00 1.00 C HETATM 1410 C1P RCY A 168 74.846 2.777 -0.574 1.00 1.00 C HETATM 1411 C1Q RCY A 168 75.426 2.220 -2.806 1.00 1.00 C HETATM 1412 N1R RCY A 168 75.966 2.128 -1.384 1.00 1.00 N HETATM 1413 C1S RCY A 168 74.351 3.292 -2.809 1.00 1.00 C HETATM 1414 C1U RCY A 168 77.292 1.534 -0.904 1.00 1.00 C HETATM 1415 C1V RCY A 168 77.420 0.184 -3.042 1.00 1.00 C HETATM 1416 N1V RCY A 168 79.204 0.238 -1.285 1.00 1.00 N HETATM 1417 C1W RCY A 168 78.396 -0.440 -0.180 1.00 1.00 C HETATM 1418 C1X RCY A 168 78.184 1.067 -2.053 1.00 1.00 C HETATM 1419 C1Y RCY A 168 78.133 -1.907 -0.531 1.00 1.00 C HETATM 1420 C1Z RCY A 168 79.162 -0.331 1.139 1.00 1.00 C HETATM 0 H1YB RCY A 168 77.487 -2.352 0.226 1.00 1.00 H new HETATM 0 H1YA RCY A 168 77.646 -1.967 -1.504 1.00 1.00 H new HETATM 0 H1MA RCY A 168 76.818 0.597 0.902 1.00 1.00 H new HETATM 0 H1LA RCY A 168 72.887 2.354 -1.469 1.00 1.00 H new HETATM 0 H1CB RCY A 168 78.118 2.917 -3.156 1.00 1.00 H new HETATM 0 H1Y RCY A 168 79.079 -2.448 -0.564 1.00 1.00 H new HETATM 0 H1U RCY A 168 77.758 2.340 -0.337 1.00 1.00 H new HETATM 0 H1S RCY A 168 74.783 4.287 -2.918 1.00 1.00 H new HETATM 0 H1M RCY A 168 76.257 -0.242 -0.531 1.00 1.00 H new HETATM 0 H1L RCY A 168 73.151 4.054 -1.136 1.00 1.00 H new HETATM 1423 C1C RCY A 173 80.240 -0.755 -4.035 1.00 1.00 C HETATM 1424 O1G RCY A 173 80.890 3.928 -6.006 1.00 1.00 O HETATM 1425 O1H RCY A 173 82.400 -0.344 -4.676 1.00 1.00 O HETATM 1426 O1J RCY A 173 82.139 -0.495 -1.711 1.00 1.00 O HETATM 1427 C1L RCY A 173 82.714 2.485 -6.767 1.00 1.00 C HETATM 1428 C1M RCY A 173 80.301 2.710 -2.738 1.00 1.00 C HETATM 1429 C1P RCY A 173 81.527 2.884 -5.879 1.00 1.00 C HETATM 1430 C1Q RCY A 173 82.370 0.830 -5.042 1.00 1.00 C HETATM 1431 N1R RCY A 173 81.235 1.822 -4.820 1.00 1.00 N HETATM 1432 C1S RCY A 173 83.463 1.559 -5.801 1.00 1.00 C HETATM 1433 C1U RCY A 173 80.100 1.762 -3.796 1.00 1.00 C HETATM 1434 C1V RCY A 173 78.723 0.271 -2.282 1.00 1.00 C HETATM 1435 N1V RCY A 173 81.207 0.549 -2.128 1.00 1.00 N HETATM 1436 C1W RCY A 173 81.204 2.018 -1.709 1.00 1.00 C HETATM 1437 C1X RCY A 173 80.023 0.417 -3.075 1.00 1.00 C HETATM 1438 C1Y RCY A 173 80.629 2.172 -0.298 1.00 1.00 C HETATM 1439 C1Z RCY A 173 82.632 2.560 -1.771 1.00 1.00 C HETATM 0 H1ZB RCY A 173 83.044 2.387 -2.765 1.00 1.00 H new HETATM 0 H1ZA RCY A 173 82.625 3.630 -1.562 1.00 1.00 H new HETATM 0 H1YB RCY A 173 80.556 3.231 -0.048 1.00 1.00 H new HETATM 0 H1MA RCY A 173 80.767 3.621 -3.115 1.00 1.00 H new HETATM 0 H1LA RCY A 173 82.401 1.974 -7.677 1.00 1.00 H new HETATM 0 H1CB RCY A 173 79.473 -0.738 -4.810 1.00 1.00 H new HETATM 0 H1CA RCY A 173 81.224 -0.670 -4.496 1.00 1.00 H new HETATM 0 H1Z RCY A 173 83.247 2.050 -1.030 1.00 1.00 H new HETATM 0 H1Y RCY A 173 81.283 1.675 0.418 1.00 1.00 H new HETATM 0 H1S RCY A 173 84.104 2.126 -5.126 1.00 1.00 H new HETATM 0 H1L RCY A 173 83.313 3.342 -7.073 1.00 1.00 H new HETATM 0 H1C RCY A 173 80.178 -1.693 -3.484 1.00 1.00 H new HETATM 1442 C1C RCY A 176 76.840 -6.250 0.875 1.00 1.00 C HETATM 1443 O1G RCY A 176 76.515 -6.234 -4.245 1.00 1.00 O HETATM 1444 O1H RCY A 176 78.564 -5.158 -0.129 1.00 1.00 O HETATM 1445 O1J RCY A 176 76.711 -3.271 1.290 1.00 1.00 O HETATM 1446 C1L RCY A 176 78.833 -5.805 -3.590 1.00 1.00 C HETATM 1447 C1M RCY A 176 74.703 -4.636 -1.679 1.00 1.00 C HETATM 1448 C1P RCY A 176 77.320 -5.924 -3.368 1.00 1.00 C HETATM 1449 C1Q RCY A 176 78.272 -5.189 -1.324 1.00 1.00 C HETATM 1450 N1R RCY A 176 76.936 -5.610 -1.923 1.00 1.00 N HETATM 1451 C1S RCY A 176 79.183 -4.811 -2.478 1.00 1.00 C HETATM 1452 C1U RCY A 176 75.569 -5.694 -1.243 1.00 1.00 C HETATM 1453 C1V RCY A 176 74.333 -5.881 0.959 1.00 1.00 C HETATM 1454 N1V RCY A 176 75.871 -4.002 0.346 1.00 1.00 N HETATM 1455 C1W RCY A 176 75.022 -3.429 -0.787 1.00 1.00 C HETATM 1456 C1X RCY A 176 75.647 -5.506 0.271 1.00 1.00 C HETATM 1457 C1Y RCY A 176 73.733 -2.815 -0.232 1.00 1.00 C HETATM 1458 C1Z RCY A 176 75.837 -2.380 -1.542 1.00 1.00 C HETATM 0 H1ZB RCY A 176 76.776 -2.821 -1.877 1.00 1.00 H new HETATM 0 H1ZA RCY A 176 75.271 -2.032 -2.406 1.00 1.00 H new HETATM 0 H1YB RCY A 176 73.101 -2.487 -1.058 1.00 1.00 H new HETATM 0 H1YA RCY A 176 73.200 -3.560 0.359 1.00 1.00 H new HETATM 0 H1VB RCY A 176 74.158 -6.951 0.850 1.00 1.00 H new HETATM 0 H1VA RCY A 176 74.392 -5.629 2.018 1.00 1.00 H new HETATM 0 H1MA RCY A 176 74.874 -4.400 -2.729 1.00 1.00 H new HETATM 0 H1LA RCY A 176 79.348 -6.759 -3.475 1.00 1.00 H new HETATM 0 H1CB RCY A 176 76.747 -7.316 0.667 1.00 1.00 H new HETATM 0 H1CA RCY A 176 77.764 -5.874 0.436 1.00 1.00 H new HETATM 0 H1Z RCY A 176 76.046 -1.538 -0.882 1.00 1.00 H new HETATM 0 H1Y RCY A 176 73.979 -1.960 0.398 1.00 1.00 H new HETATM 0 H1V RCY A 176 73.512 -5.331 0.500 1.00 1.00 H new HETATM 0 H1U RCY A 176 75.199 -6.685 -1.506 1.00 1.00 H new HETATM 0 H1S RCY A 176 79.012 -3.783 -2.797 1.00 1.00 H new HETATM 0 H1M RCY A 176 73.656 -4.925 -1.584 1.00 1.00 H new HETATM 0 H1L RCY A 176 79.081 -5.426 -4.582 1.00 1.00 H new HETATM 0 H1C RCY A 176 76.860 -6.091 1.953 1.00 1.00 H new HETATM 1461 C1C RCY A 187 80.699 -1.727 2.666 1.00 1.00 C HETATM 1462 O1G RCY A 187 78.336 -0.114 5.161 1.00 1.00 O HETATM 1463 O1H RCY A 187 76.120 -2.535 1.766 1.00 1.00 O HETATM 1464 O1J RCY A 187 82.051 0.390 1.006 1.00 1.00 O HETATM 1465 C1L RCY A 187 76.403 -1.614 5.163 1.00 1.00 C HETATM 1466 C1M RCY A 187 78.292 0.872 1.596 1.00 1.00 C HETATM 1467 C1P RCY A 187 77.548 -0.815 4.528 1.00 1.00 C HETATM 1468 C1Q RCY A 187 76.350 -1.849 2.760 1.00 1.00 C HETATM 1469 N1R RCY A 187 77.589 -0.998 3.012 1.00 1.00 N HETATM 1470 C1S RCY A 187 75.445 -1.693 3.969 1.00 1.00 C HETATM 1471 C1U RCY A 187 78.606 -0.470 1.998 1.00 1.00 C HETATM 1472 C1V RCY A 187 80.026 0.372 3.918 1.00 1.00 C HETATM 1473 N1V RCY A 187 80.682 0.491 1.504 1.00 1.00 N HETATM 1474 C1W RCY A 187 79.599 1.475 1.065 1.00 1.00 C HETATM 1475 C1X RCY A 187 80.016 -0.361 2.575 1.00 1.00 C HETATM 1476 C1Y RCY A 187 79.846 2.854 1.684 1.00 1.00 C HETATM 1477 C1Z RCY A 187 79.591 1.562 -0.461 1.00 1.00 C HETATM 0 H1ZA RCY A 187 78.762 2.191 -0.785 1.00 1.00 H new HETATM 0 H1YB RCY A 187 79.021 3.520 1.430 1.00 1.00 H new HETATM 0 H1YA RCY A 187 79.915 2.759 2.768 1.00 1.00 H new HETATM 0 H1VB RCY A 187 79.498 -0.225 4.662 1.00 1.00 H new HETATM 0 H1VA RCY A 187 81.056 0.526 4.241 1.00 1.00 H new HETATM 0 H1MA RCY A 187 77.520 0.878 0.827 1.00 1.00 H new HETATM 0 H1LA RCY A 187 76.722 -2.598 5.508 1.00 1.00 H new HETATM 0 H1CB RCY A 187 80.115 -2.383 3.311 1.00 1.00 H new HETATM 0 H1CA RCY A 187 80.770 -2.166 1.671 1.00 1.00 H new HETATM 0 H1Y RCY A 187 80.777 3.266 1.295 1.00 1.00 H new HETATM 0 H1V RCY A 187 79.531 1.337 3.809 1.00 1.00 H new HETATM 0 H1S RCY A 187 74.833 -0.795 3.892 1.00 1.00 H new HETATM 0 H1M RCY A 187 77.909 1.451 2.436 1.00 1.00 H new HETATM 0 H1L RCY A 187 75.962 -1.103 6.019 1.00 1.00 H new HETATM 0 H1C RCY A 187 81.700 -1.607 3.081 1.00 1.00 H new