USER MOD reduce.3.24.130724 H: found=0, std=0, add=782, rem=0, adj=17 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 11 ARG H : A 11 ARG N : A 110 RCY C1U :(H bumps) USER MOD NoAdj-H: A 12 SER H : A 12 SER N : A 110 RCY C1L :(H bumps) USER MOD NoAdj-H: A 110 RCYH1VB : A 110 RCY C1V : A 11 ARG CB :(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 11 ARG CG :(H bumps) USER MOD NoAdj-H: A 110 RCYH1CA : A 110 RCY C1C : A 11 ARG CA :(H bumps) USER MOD NoAdj-H: A 110 RCY H1U : A 110 RCY C1U : A 11 ARG CB :(H bumps) USER MOD NoAdj-H: A 121 RCYH1SA : A 121 RCY C1S : A 21 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 138 RCYH1ZB : A 138 RCY C1Z : A 150 RCY C1W :(H bumps) USER MOD NoAdj-H: A 138 RCYH1ZA : A 138 RCY C1Z : A 187 RCY C1V :(H bumps) USER MOD NoAdj-H: A 138 RCYH1VA : A 138 RCY C1V : A 150 RCY C1P :(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 RCYH1CB : A 138 RCY C1C : A 150 RCY C1Q :(H bumps) USER MOD NoAdj-H: A 138 RCYH1CA : A 138 RCY C1C : A 150 RCY C1Q :(H bumps) USER MOD NoAdj-H: A 138 RCY H1Z : A 138 RCY C1Z : A 150 RCY C1W :(H bumps) USER MOD NoAdj-H: A 138 RCY H1C : A 138 RCY C1C : A 150 RCY N1R :(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 H1Z : A 150 RCY C1Z : A 187 RCY C1Y :(H bumps) USER MOD NoAdj-H: A 150 RCY H1V : A 150 RCY C1V : A 138 RCY O1J :(H bumps) USER MOD NoAdj-H: A 150 RCY H1M : A 150 RCY C1M : A 138 RCY C1W :(H bumps) USER MOD NoAdj-H: A 160 RCYH1YB : A 160 RCY C1Y : A 173 RCY O1J :(H bumps) USER MOD NoAdj-H: A 160 RCYH1YA : A 160 RCY C1Y : A 168 RCY C1C :(H bumps) USER MOD NoAdj-H: A 160 RCYH1VA : A 160 RCY C1V : A 168 RCY C1V :(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 RCYH1CB : A 160 RCY C1C : A 70 TRP CZ2 :(H bumps) USER MOD NoAdj-H: A 160 RCY H1Y : A 160 RCY C1Y : A 168 RCY C1C :(H bumps) USER MOD NoAdj-H: A 160 RCY H1V : A 160 RCY C1V : A 168 RCY C1V :(H bumps) USER MOD NoAdj-H: A 160 RCY H1C : A 160 RCY C1C : A 70 TRP CZ2 :(H bumps) USER MOD NoAdj-H: A 168 RCYH1ZB : A 168 RCY C1Z : A 173 RCY C1Q :(H bumps) USER MOD NoAdj-H: A 168 RCYH1VB : A 168 RCY C1V : A 160 RCY C1V :(H bumps) USER MOD NoAdj-H: A 168 RCYH1VA : A 168 RCY C1V : A 160 RCY C1X :(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 RCYH1CB : A 168 RCY C1C : A 160 RCY C1Y :(H bumps) USER MOD NoAdj-H: A 168 RCYH1CA : A 168 RCY C1C : A 160 RCY C1Y :(H bumps) USER MOD NoAdj-H: A 168 RCY H1Z : A 168 RCY C1Z : A 173 RCY C1Q :(H bumps) USER MOD NoAdj-H: A 168 RCY H1V : A 168 RCY C1V : A 160 RCY C1V :(H bumps) USER MOD NoAdj-H: A 168 RCY H1C : A 168 RCY C1C : A 173 RCY C1C :(H bumps) USER MOD NoAdj-H: A 173 RCYH1VB : A 173 RCY C1V : A 168 RCY O1J :(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 RCYH1CB : A 173 RCY C1C : A 160 RCY O1J :(H bumps) USER MOD NoAdj-H: A 173 RCYH1CA : A 173 RCY C1C : A 168 RCY C1X :(H bumps) USER MOD NoAdj-H: A 173 RCY H1C : A 173 RCY C1C : A 160 RCY N1V :(H bumps) USER MOD NoAdj-H: A 176 RCYH1SA : A 176 RCY C1S : A 76 CYS SG :(H bumps) USER MOD NoAdj-H: A 176 RCY H1L : A 176 RCY C1L : A 75 HIS O :(H bumps) USER MOD NoAdj-H: A 187 RCYH1YA : A 187 RCY C1Y : A 150 RCY C1Z :(H bumps) USER MOD NoAdj-H: A 187 RCYH1VA : A 187 RCY C1V : A 138 RCY C1Z :(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 H1V : A 187 RCY C1V : A 138 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+ 152:sc= 0.0332 (180deg=-0.522) USER MOD Single : A 2 ASN :FLIP amide:sc= -0.117 F(o=-2.3!,f=-0.12) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -37:sc= 0.329 USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 59:sc= 1.19 USER MOD Single : A 25 LYS NZ :NH3+ 158:sc= -0.0191 (180deg=-0.194) USER MOD Single : A 29 LYS NZ :NH3+ 155:sc= -0.0311 (180deg=-0.427) USER MOD Single : A 31 LYS NZ :NH3+ -154:sc= -0.363 (180deg=-1.05) USER MOD Single : A 32 GLN :FLIP amide:sc= 0 F(o=-0.8,f=0) USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -0.346 K(o=-0.35,f=-1.6!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ -159:sc= -0.139 (180deg=-0.833) USER MOD Single : A 44 LYS NZ :NH3+ 156:sc= -0.0479 (180deg=-0.548) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= -9.66! C(o=-9.7!,f=-22!) USER MOD Single : A 57 MET CE :methyl -115:sc=-0.00702 (180deg=-0.115) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0.0313 USER MOD Single : A 65 THR OG1 : rot 100:sc= -0.278! USER MOD Single : A 74 ASN : amide:sc= -1.61 K(o=-1.6,f=-3.4!) USER MOD Single : A 75 HIS : no HD1:sc= -0.0509 K(o=-0.051,f=-0.56) USER MOD Single : A 79 HIS : no HD1:sc= -0.68 K(o=-0.68,f=-1.5) USER MOD Single : A 83 GLN : amide:sc= -0.459 X(o=-0.46,f=0) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 58.513 -7.384 12.593 1.00 1.00 N ATOM 2 CA MET A 1 58.703 -8.433 13.635 1.00 1.00 C ATOM 3 C MET A 1 59.464 -7.840 14.822 1.00 1.00 C ATOM 4 O MET A 1 60.157 -6.850 14.694 1.00 1.00 O ATOM 5 CB MET A 1 59.502 -9.598 13.046 1.00 1.00 C ATOM 6 CG MET A 1 60.729 -9.056 12.310 1.00 1.00 C ATOM 7 SD MET A 1 61.892 -10.407 11.999 1.00 1.00 S ATOM 8 CE MET A 1 63.227 -9.402 11.304 1.00 1.00 C ATOM 0 H1 MET A 1 58.450 -7.832 11.657 1.00 1.00 H new ATOM 0 H2 MET A 1 57.636 -6.859 12.785 1.00 1.00 H new ATOM 0 H3 MET A 1 59.320 -6.728 12.609 1.00 1.00 H new ATOM 0 HA MET A 1 57.730 -8.793 13.971 1.00 1.00 H new ATOM 0 HB2 MET A 1 59.812 -10.278 13.839 1.00 1.00 H new ATOM 0 HB3 MET A 1 58.878 -10.171 12.361 1.00 1.00 H new ATOM 0 HG2 MET A 1 60.428 -8.597 11.368 1.00 1.00 H new ATOM 0 HG3 MET A 1 61.209 -8.279 12.904 1.00 1.00 H new ATOM 0 HE1 MET A 1 64.065 -10.045 11.036 1.00 1.00 H new ATOM 0 HE2 MET A 1 62.868 -8.885 10.414 1.00 1.00 H new ATOM 0 HE3 MET A 1 63.553 -8.670 12.042 1.00 1.00 H new ATOM 17 N ASN A 2 59.339 -8.438 15.977 1.00 1.00 N ATOM 18 CA ASN A 2 60.052 -7.911 17.176 1.00 1.00 C ATOM 19 C ASN A 2 59.710 -6.432 17.367 1.00 1.00 C ATOM 20 O ASN A 2 59.132 -5.802 16.504 1.00 1.00 O ATOM 21 CB ASN A 2 61.563 -8.070 16.985 1.00 1.00 C ATOM 22 CG ASN A 2 61.949 -9.538 17.173 1.00 1.00 C ATOM 23 OD1 ASN A 2 61.133 -10.472 16.766 1.00 1.00 O flip ATOM 24 ND2 ASN A 2 63.004 -9.839 17.695 1.00 1.00 N flip ATOM 0 H ASN A 2 58.773 -9.270 16.142 1.00 1.00 H new ATOM 0 HA ASN A 2 59.739 -8.470 18.058 1.00 1.00 H new ATOM 0 HB2 ASN A 2 61.852 -7.731 15.990 1.00 1.00 H new ATOM 0 HB3 ASN A 2 62.098 -7.447 17.702 1.00 1.00 H new ATOM 0 HD21 ASN A 2 63.642 -9.110 18.013 1.00 1.00 H new ATOM 0 HD22 ASN A 2 63.252 -10.821 17.815 1.00 1.00 H new ATOM 31 N LEU A 3 60.061 -5.871 18.492 1.00 1.00 N ATOM 32 CA LEU A 3 59.752 -4.432 18.734 1.00 1.00 C ATOM 33 C LEU A 3 58.280 -4.171 18.396 1.00 1.00 C ATOM 34 O LEU A 3 57.463 -5.070 18.412 1.00 1.00 O ATOM 35 CB LEU A 3 60.659 -3.565 17.845 1.00 1.00 C ATOM 36 CG LEU A 3 61.302 -2.462 18.688 1.00 1.00 C ATOM 37 CD1 LEU A 3 62.384 -1.757 17.868 1.00 1.00 C ATOM 38 CD2 LEU A 3 60.233 -1.448 19.099 1.00 1.00 C ATOM 0 H LEU A 3 60.547 -6.345 19.253 1.00 1.00 H new ATOM 0 HA LEU A 3 59.930 -4.181 19.780 1.00 1.00 H new ATOM 0 HB2 LEU A 3 61.431 -4.182 17.385 1.00 1.00 H new ATOM 0 HB3 LEU A 3 60.078 -3.125 17.035 1.00 1.00 H new ATOM 0 HG LEU A 3 61.751 -2.901 19.579 1.00 1.00 H new ATOM 0 HD11 LEU A 3 62.842 -0.971 18.469 1.00 1.00 H new ATOM 0 HD12 LEU A 3 63.146 -2.479 17.574 1.00 1.00 H new ATOM 0 HD13 LEU A 3 61.937 -1.318 16.976 1.00 1.00 H new ATOM 0 HD21 LEU A 3 60.689 -0.661 19.700 1.00 1.00 H new ATOM 0 HD22 LEU A 3 59.785 -1.010 18.207 1.00 1.00 H new ATOM 0 HD23 LEU A 3 59.462 -1.949 19.683 1.00 1.00 H new ATOM 50 N GLU A 4 57.934 -2.950 18.088 1.00 1.00 N ATOM 51 CA GLU A 4 56.516 -2.640 17.748 1.00 1.00 C ATOM 52 C GLU A 4 56.333 -2.716 16.225 1.00 1.00 C ATOM 53 O GLU A 4 57.078 -2.109 15.483 1.00 1.00 O ATOM 54 CB GLU A 4 56.174 -1.226 18.229 1.00 1.00 C ATOM 55 CG GLU A 4 54.657 -1.031 18.209 1.00 1.00 C ATOM 56 CD GLU A 4 54.166 -0.986 16.761 1.00 1.00 C ATOM 57 OE1 GLU A 4 54.898 -0.483 15.924 1.00 1.00 O ATOM 58 OE2 GLU A 4 53.067 -1.454 16.513 1.00 1.00 O ATOM 0 H GLU A 4 58.572 -2.155 18.057 1.00 1.00 H new ATOM 0 HA GLU A 4 55.858 -3.360 18.234 1.00 1.00 H new ATOM 0 HB2 GLU A 4 56.558 -1.071 19.237 1.00 1.00 H new ATOM 0 HB3 GLU A 4 56.654 -0.487 17.588 1.00 1.00 H new ATOM 0 HG2 GLU A 4 54.168 -1.845 18.745 1.00 1.00 H new ATOM 0 HG3 GLU A 4 54.392 -0.107 18.723 1.00 1.00 H new ATOM 65 N PRO A 5 55.350 -3.450 15.757 1.00 1.00 N ATOM 66 CA PRO A 5 55.080 -3.591 14.298 1.00 1.00 C ATOM 67 C PRO A 5 55.262 -2.268 13.539 1.00 1.00 C ATOM 68 O PRO A 5 54.411 -1.403 13.589 1.00 1.00 O ATOM 69 CB PRO A 5 53.617 -4.030 14.258 1.00 1.00 C ATOM 70 CG PRO A 5 53.414 -4.799 15.523 1.00 1.00 C ATOM 71 CD PRO A 5 54.387 -4.222 16.559 1.00 1.00 C ATOM 0 HA PRO A 5 55.767 -4.289 13.819 1.00 1.00 H new ATOM 0 HB2 PRO A 5 52.948 -3.171 14.205 1.00 1.00 H new ATOM 0 HB3 PRO A 5 53.413 -4.647 13.383 1.00 1.00 H new ATOM 0 HG2 PRO A 5 52.384 -4.708 15.869 1.00 1.00 H new ATOM 0 HG3 PRO A 5 53.605 -5.860 15.364 1.00 1.00 H new ATOM 0 HD2 PRO A 5 53.871 -3.589 17.281 1.00 1.00 H new ATOM 0 HD3 PRO A 5 54.882 -5.012 17.124 1.00 1.00 H new ATOM 79 N PRO A 6 56.359 -2.108 12.840 1.00 1.00 N ATOM 80 CA PRO A 6 56.634 -0.868 12.068 1.00 1.00 C ATOM 81 C PRO A 6 55.910 -0.860 10.717 1.00 1.00 C ATOM 82 O PRO A 6 55.906 -1.839 9.998 1.00 1.00 O ATOM 83 CB PRO A 6 58.151 -0.895 11.874 1.00 1.00 C ATOM 84 CG PRO A 6 58.524 -2.343 11.895 1.00 1.00 C ATOM 85 CD PRO A 6 57.455 -3.081 12.712 1.00 1.00 C ATOM 0 HA PRO A 6 56.281 0.025 12.584 1.00 1.00 H new ATOM 0 HB2 PRO A 6 58.436 -0.429 10.931 1.00 1.00 H new ATOM 0 HB3 PRO A 6 58.659 -0.346 12.667 1.00 1.00 H new ATOM 0 HG2 PRO A 6 58.575 -2.741 10.881 1.00 1.00 H new ATOM 0 HG3 PRO A 6 59.509 -2.479 12.341 1.00 1.00 H new ATOM 0 HD2 PRO A 6 57.124 -3.988 12.207 1.00 1.00 H new ATOM 0 HD3 PRO A 6 57.837 -3.381 13.688 1.00 1.00 H new ATOM 93 N LYS A 7 55.293 0.240 10.374 1.00 1.00 N ATOM 94 CA LYS A 7 54.561 0.323 9.076 1.00 1.00 C ATOM 95 C LYS A 7 54.930 1.630 8.373 1.00 1.00 C ATOM 96 O LYS A 7 54.748 1.778 7.181 1.00 1.00 O ATOM 97 CB LYS A 7 53.054 0.297 9.347 1.00 1.00 C ATOM 98 CG LYS A 7 52.647 1.566 10.098 1.00 1.00 C ATOM 99 CD LYS A 7 51.347 1.312 10.865 1.00 1.00 C ATOM 100 CE LYS A 7 50.287 0.766 9.906 1.00 1.00 C ATOM 101 NZ LYS A 7 48.956 0.784 10.576 1.00 1.00 N ATOM 0 H LYS A 7 55.265 1.088 10.940 1.00 1.00 H new ATOM 0 HA LYS A 7 54.833 -0.521 8.442 1.00 1.00 H new ATOM 0 HB2 LYS A 7 52.506 0.227 8.407 1.00 1.00 H new ATOM 0 HB3 LYS A 7 52.795 -0.584 9.934 1.00 1.00 H new ATOM 0 HG2 LYS A 7 53.437 1.862 10.788 1.00 1.00 H new ATOM 0 HG3 LYS A 7 52.513 2.389 9.396 1.00 1.00 H new ATOM 0 HD2 LYS A 7 51.522 0.602 11.673 1.00 1.00 H new ATOM 0 HD3 LYS A 7 50.996 2.237 11.324 1.00 1.00 H new ATOM 0 HE2 LYS A 7 50.257 1.368 8.998 1.00 1.00 H new ATOM 0 HE3 LYS A 7 50.541 -0.250 9.606 1.00 1.00 H new ATOM 0 HZ1 LYS A 7 48.235 0.413 9.925 1.00 1.00 H new ATOM 0 HZ2 LYS A 7 48.989 0.191 11.430 1.00 1.00 H new ATOM 0 HZ3 LYS A 7 48.714 1.760 10.841 1.00 1.00 H new ATOM 115 N ALA A 8 55.447 2.577 9.108 1.00 1.00 N ATOM 116 CA ALA A 8 55.833 3.885 8.498 1.00 1.00 C ATOM 117 C ALA A 8 57.352 4.055 8.567 1.00 1.00 C ATOM 118 O ALA A 8 58.087 3.103 8.744 1.00 1.00 O ATOM 119 CB ALA A 8 55.162 5.020 9.273 1.00 1.00 C ATOM 0 H ALA A 8 55.620 2.502 10.110 1.00 1.00 H new ATOM 0 HA ALA A 8 55.512 3.909 7.457 1.00 1.00 H new ATOM 0 HB1 ALA A 8 55.441 5.977 8.831 1.00 1.00 H new ATOM 0 HB2 ALA A 8 54.079 4.901 9.228 1.00 1.00 H new ATOM 0 HB3 ALA A 8 55.487 4.992 10.313 1.00 1.00 H new ATOM 125 N GLU A 9 57.826 5.263 8.431 1.00 1.00 N ATOM 126 CA GLU A 9 59.295 5.504 8.491 1.00 1.00 C ATOM 127 C GLU A 9 59.557 7.010 8.533 1.00 1.00 C ATOM 128 O GLU A 9 60.635 7.473 8.219 1.00 1.00 O ATOM 129 CB GLU A 9 59.967 4.902 7.254 1.00 1.00 C ATOM 130 CG GLU A 9 59.229 5.362 5.995 1.00 1.00 C ATOM 131 CD GLU A 9 59.871 4.722 4.763 1.00 1.00 C ATOM 132 OE1 GLU A 9 61.086 4.618 4.740 1.00 1.00 O ATOM 133 OE2 GLU A 9 59.137 4.347 3.864 1.00 1.00 O ATOM 0 H GLU A 9 57.257 6.096 8.280 1.00 1.00 H new ATOM 0 HA GLU A 9 59.705 5.035 9.386 1.00 1.00 H new ATOM 0 HB2 GLU A 9 61.012 5.210 7.209 1.00 1.00 H new ATOM 0 HB3 GLU A 9 59.958 3.814 7.316 1.00 1.00 H new ATOM 0 HG2 GLU A 9 58.177 5.084 6.056 1.00 1.00 H new ATOM 0 HG3 GLU A 9 59.267 6.448 5.915 1.00 1.00 H new ATOM 140 N CYS A 10 58.574 7.779 8.919 1.00 1.00 N ATOM 141 CA CYS A 10 58.760 9.256 8.982 1.00 1.00 C ATOM 142 C CYS A 10 59.426 9.743 7.693 1.00 1.00 C ATOM 143 O CYS A 10 60.589 10.096 7.679 1.00 1.00 O ATOM 144 CB CYS A 10 59.647 9.609 10.178 1.00 1.00 C ATOM 145 SG CYS A 10 60.106 11.358 10.093 1.00 1.00 S ATOM 0 H CYS A 10 57.650 7.447 9.194 1.00 1.00 H new ATOM 0 HA CYS A 10 57.789 9.739 9.094 1.00 1.00 H new ATOM 0 HB2 CYS A 10 59.118 9.406 11.109 1.00 1.00 H new ATOM 0 HB3 CYS A 10 60.542 8.987 10.177 1.00 1.00 H new ATOM 150 N ARG A 11 58.699 9.762 6.610 1.00 1.00 N ATOM 151 CA ARG A 11 59.289 10.224 5.322 1.00 1.00 C ATOM 152 C ARG A 11 59.120 11.741 5.196 1.00 1.00 C ATOM 153 O ARG A 11 59.039 12.278 4.109 1.00 1.00 O ATOM 154 CB ARG A 11 58.574 9.527 4.159 1.00 1.00 C ATOM 155 CG ARG A 11 59.506 9.466 2.947 1.00 1.00 C ATOM 156 CD ARG A 11 58.752 8.883 1.751 1.00 1.00 C ATOM 157 NE ARG A 11 59.353 7.572 1.376 1.00 1.00 N ATOM 158 CZ ARG A 11 58.995 6.487 2.005 1.00 1.00 C ATOM 159 NH1 ARG A 11 58.112 6.549 2.964 1.00 1.00 N ATOM 160 NH2 ARG A 11 59.521 5.338 1.677 1.00 1.00 N ATOM 0 HA ARG A 11 60.350 9.978 5.297 1.00 1.00 H new ATOM 0 HB2 ARG A 11 58.276 8.520 4.453 1.00 1.00 H new ATOM 0 HB3 ARG A 11 57.663 10.067 3.903 1.00 1.00 H new ATOM 0 HG2 ARG A 11 59.873 10.464 2.707 1.00 1.00 H new ATOM 0 HG3 ARG A 11 60.377 8.852 3.176 1.00 1.00 H new ATOM 0 HD2 ARG A 11 57.698 8.754 1.999 1.00 1.00 H new ATOM 0 HD3 ARG A 11 58.799 9.571 0.907 1.00 1.00 H new ATOM 0 HE ARG A 11 60.044 7.523 0.628 1.00 1.00 H new ATOM 0 HH11 ARG A 11 57.701 7.446 3.222 1.00 1.00 H new ATOM 0 HH12 ARG A 11 57.832 5.700 3.456 1.00 1.00 H new ATOM 0 HH21 ARG A 11 60.212 5.289 0.929 1.00 1.00 H new ATOM 0 HH22 ARG A 11 59.241 4.490 2.169 1.00 1.00 H new ATOM 174 N SER A 12 59.067 12.436 6.300 1.00 1.00 N ATOM 175 CA SER A 12 58.904 13.917 6.243 1.00 1.00 C ATOM 176 C SER A 12 60.275 14.575 6.069 1.00 1.00 C ATOM 177 O SER A 12 61.217 14.261 6.769 1.00 1.00 O ATOM 178 CB SER A 12 58.259 14.410 7.540 1.00 1.00 C ATOM 179 OG SER A 12 57.620 15.656 7.302 1.00 1.00 O ATOM 0 HA SER A 12 58.266 14.181 5.399 1.00 1.00 H new ATOM 0 HB2 SER A 12 57.534 13.680 7.900 1.00 1.00 H new ATOM 0 HB3 SER A 12 59.015 14.519 8.317 1.00 1.00 H new ATOM 0 HG SER A 12 57.204 15.974 8.131 1.00 1.00 H new ATOM 185 N ALA A 13 60.393 15.487 5.139 1.00 1.00 N ATOM 186 CA ALA A 13 61.702 16.170 4.915 1.00 1.00 C ATOM 187 C ALA A 13 61.618 17.612 5.418 1.00 1.00 C ATOM 188 O ALA A 13 60.866 17.922 6.321 1.00 1.00 O ATOM 189 CB ALA A 13 62.024 16.172 3.419 1.00 1.00 C ATOM 0 H ALA A 13 59.638 15.789 4.524 1.00 1.00 H new ATOM 0 HA ALA A 13 62.486 15.641 5.457 1.00 1.00 H new ATOM 0 HB1 ALA A 13 62.979 16.670 3.253 1.00 1.00 H new ATOM 0 HB2 ALA A 13 62.083 15.145 3.058 1.00 1.00 H new ATOM 0 HB3 ALA A 13 61.240 16.702 2.879 1.00 1.00 H new ATOM 195 N THR A 14 62.387 18.496 4.844 1.00 1.00 N ATOM 196 CA THR A 14 62.351 19.917 5.292 1.00 1.00 C ATOM 197 C THR A 14 63.046 20.798 4.252 1.00 1.00 C ATOM 198 O THR A 14 62.543 21.836 3.870 1.00 1.00 O ATOM 199 CB THR A 14 63.074 20.045 6.635 1.00 1.00 C ATOM 200 OG1 THR A 14 62.600 19.043 7.523 1.00 1.00 O ATOM 201 CG2 THR A 14 62.805 21.427 7.232 1.00 1.00 C ATOM 0 H THR A 14 63.038 18.296 4.085 1.00 1.00 H new ATOM 0 HA THR A 14 61.315 20.237 5.404 1.00 1.00 H new ATOM 0 HB THR A 14 64.146 19.920 6.484 1.00 1.00 H new ATOM 0 HG1 THR A 14 61.640 18.907 7.380 1.00 1.00 H new ATOM 0 HG21 THR A 14 63.320 21.517 8.188 1.00 1.00 H new ATOM 0 HG22 THR A 14 63.169 22.195 6.550 1.00 1.00 H new ATOM 0 HG23 THR A 14 61.733 21.555 7.384 1.00 1.00 H new ATOM 209 N ARG A 15 64.198 20.395 3.790 1.00 1.00 N ATOM 210 CA ARG A 15 64.920 21.213 2.776 1.00 1.00 C ATOM 211 C ARG A 15 65.938 20.338 2.039 1.00 1.00 C ATOM 212 O ARG A 15 66.111 20.448 0.842 1.00 1.00 O ATOM 213 CB ARG A 15 65.645 22.368 3.474 1.00 1.00 C ATOM 214 CG ARG A 15 66.220 21.881 4.806 1.00 1.00 C ATOM 215 CD ARG A 15 67.270 22.876 5.303 1.00 1.00 C ATOM 216 NE ARG A 15 67.493 22.674 6.763 1.00 1.00 N ATOM 217 CZ ARG A 15 68.590 23.108 7.321 1.00 1.00 C ATOM 218 NH1 ARG A 15 69.492 23.717 6.601 1.00 1.00 N ATOM 219 NH2 ARG A 15 68.785 22.931 8.599 1.00 1.00 N ATOM 0 H ARG A 15 64.670 19.535 4.071 1.00 1.00 H new ATOM 0 HA ARG A 15 64.204 21.615 2.058 1.00 1.00 H new ATOM 0 HB2 ARG A 15 66.445 22.747 2.838 1.00 1.00 H new ATOM 0 HB3 ARG A 15 64.955 23.194 3.644 1.00 1.00 H new ATOM 0 HG2 ARG A 15 65.423 21.779 5.543 1.00 1.00 H new ATOM 0 HG3 ARG A 15 66.668 20.895 4.682 1.00 1.00 H new ATOM 0 HD2 ARG A 15 68.204 22.738 4.759 1.00 1.00 H new ATOM 0 HD3 ARG A 15 66.938 23.897 5.113 1.00 1.00 H new ATOM 0 HE ARG A 15 66.789 22.197 7.326 1.00 1.00 H new ATOM 0 HH11 ARG A 15 69.340 23.854 5.602 1.00 1.00 H new ATOM 0 HH12 ARG A 15 70.349 24.056 7.037 1.00 1.00 H new ATOM 0 HH21 ARG A 15 68.080 22.454 9.161 1.00 1.00 H new ATOM 0 HH22 ARG A 15 69.642 23.270 9.036 1.00 1.00 H new ATOM 233 N VAL A 16 66.613 19.469 2.743 1.00 1.00 N ATOM 234 CA VAL A 16 67.618 18.591 2.078 1.00 1.00 C ATOM 235 C VAL A 16 66.925 17.333 1.550 1.00 1.00 C ATOM 236 O VAL A 16 66.360 16.562 2.300 1.00 1.00 O ATOM 237 CB VAL A 16 68.702 18.198 3.085 1.00 1.00 C ATOM 238 CG1 VAL A 16 68.094 17.307 4.169 1.00 1.00 C ATOM 239 CG2 VAL A 16 69.814 17.434 2.363 1.00 1.00 C ATOM 0 H VAL A 16 66.512 19.330 3.748 1.00 1.00 H new ATOM 0 HA VAL A 16 68.077 19.127 1.247 1.00 1.00 H new ATOM 0 HB VAL A 16 69.115 19.097 3.543 1.00 1.00 H new ATOM 0 HG11 VAL A 16 68.866 17.027 4.886 1.00 1.00 H new ATOM 0 HG12 VAL A 16 67.301 17.850 4.683 1.00 1.00 H new ATOM 0 HG13 VAL A 16 67.681 16.408 3.712 1.00 1.00 H new ATOM 0 HG21 VAL A 16 70.587 17.153 3.079 1.00 1.00 H new ATOM 0 HG22 VAL A 16 69.400 16.536 1.905 1.00 1.00 H new ATOM 0 HG23 VAL A 16 70.248 18.068 1.590 1.00 1.00 H new ATOM 249 N MET A 17 66.964 17.121 0.262 1.00 1.00 N ATOM 250 CA MET A 17 66.307 15.915 -0.317 1.00 1.00 C ATOM 251 C MET A 17 64.830 15.900 0.089 1.00 1.00 C ATOM 252 O MET A 17 64.491 15.646 1.228 1.00 1.00 O ATOM 253 CB MET A 17 67.009 14.652 0.208 1.00 1.00 C ATOM 254 CG MET A 17 67.466 13.793 -0.973 1.00 1.00 C ATOM 255 SD MET A 17 68.410 12.376 -0.359 1.00 1.00 S ATOM 256 CE MET A 17 69.278 11.997 -1.901 1.00 1.00 C ATOM 0 H MET A 17 67.423 17.731 -0.414 1.00 1.00 H new ATOM 0 HA MET A 17 66.380 15.939 -1.404 1.00 1.00 H new ATOM 0 HB2 MET A 17 67.865 14.928 0.823 1.00 1.00 H new ATOM 0 HB3 MET A 17 66.330 14.083 0.844 1.00 1.00 H new ATOM 0 HG2 MET A 17 66.602 13.449 -1.542 1.00 1.00 H new ATOM 0 HG3 MET A 17 68.079 14.386 -1.652 1.00 1.00 H new ATOM 0 HE1 MET A 17 69.931 11.137 -1.749 1.00 1.00 H new ATOM 0 HE2 MET A 17 68.552 11.768 -2.681 1.00 1.00 H new ATOM 0 HE3 MET A 17 69.876 12.857 -2.203 1.00 1.00 H new ATOM 266 N GLY A 18 63.949 16.172 -0.834 1.00 1.00 N ATOM 267 CA GLY A 18 62.496 16.175 -0.499 1.00 1.00 C ATOM 268 C GLY A 18 61.679 15.813 -1.739 1.00 1.00 C ATOM 269 O GLY A 18 62.218 15.469 -2.773 1.00 1.00 O ATOM 0 H GLY A 18 64.172 16.392 -1.805 1.00 1.00 H new ATOM 0 HA2 GLY A 18 62.296 15.462 0.301 1.00 1.00 H new ATOM 0 HA3 GLY A 18 62.200 17.157 -0.131 1.00 1.00 H new ATOM 273 N GLY A 19 60.379 15.888 -1.644 1.00 1.00 N ATOM 274 CA GLY A 19 59.518 15.549 -2.813 1.00 1.00 C ATOM 275 C GLY A 19 59.087 14.079 -2.720 1.00 1.00 C ATOM 276 O GLY A 19 59.828 13.244 -2.240 1.00 1.00 O ATOM 0 H GLY A 19 59.875 16.171 -0.804 1.00 1.00 H new ATOM 0 HA2 GLY A 19 58.641 16.196 -2.832 1.00 1.00 H new ATOM 0 HA3 GLY A 19 60.062 15.722 -3.742 1.00 1.00 H new ATOM 280 N PRO A 20 57.899 13.760 -3.177 1.00 1.00 N ATOM 281 CA PRO A 20 57.371 12.364 -3.143 1.00 1.00 C ATOM 282 C PRO A 20 58.410 11.327 -3.590 1.00 1.00 C ATOM 283 O PRO A 20 59.522 11.659 -3.950 1.00 1.00 O ATOM 284 CB PRO A 20 56.199 12.399 -4.126 1.00 1.00 C ATOM 285 CG PRO A 20 55.723 13.815 -4.119 1.00 1.00 C ATOM 286 CD PRO A 20 56.931 14.693 -3.777 1.00 1.00 C ATOM 0 HA PRO A 20 57.091 12.066 -2.133 1.00 1.00 H new ATOM 0 HB2 PRO A 20 56.513 12.094 -5.124 1.00 1.00 H new ATOM 0 HB3 PRO A 20 55.407 11.716 -3.819 1.00 1.00 H new ATOM 0 HG2 PRO A 20 55.311 14.088 -5.090 1.00 1.00 H new ATOM 0 HG3 PRO A 20 54.928 13.951 -3.386 1.00 1.00 H new ATOM 0 HD2 PRO A 20 57.339 15.172 -4.667 1.00 1.00 H new ATOM 0 HD3 PRO A 20 56.661 15.488 -3.082 1.00 1.00 H new ATOM 294 N CYS A 21 58.045 10.070 -3.575 1.00 1.00 N ATOM 295 CA CYS A 21 58.991 8.998 -4.003 1.00 1.00 C ATOM 296 C CYS A 21 58.252 8.008 -4.908 1.00 1.00 C ATOM 297 O CYS A 21 57.132 7.624 -4.636 1.00 1.00 O ATOM 298 CB CYS A 21 59.525 8.265 -2.768 1.00 1.00 C ATOM 299 SG CYS A 21 61.101 7.471 -3.172 1.00 1.00 S ATOM 0 H CYS A 21 57.126 9.739 -3.282 1.00 1.00 H new ATOM 0 HA CYS A 21 59.825 9.440 -4.548 1.00 1.00 H new ATOM 0 HB2 CYS A 21 59.660 8.967 -1.945 1.00 1.00 H new ATOM 0 HB3 CYS A 21 58.804 7.518 -2.435 1.00 1.00 H new ATOM 304 N THR A 22 58.863 7.600 -5.990 1.00 1.00 N ATOM 305 CA THR A 22 58.185 6.644 -6.917 1.00 1.00 C ATOM 306 C THR A 22 59.176 5.568 -7.380 1.00 1.00 C ATOM 307 O THR A 22 59.934 5.778 -8.306 1.00 1.00 O ATOM 308 CB THR A 22 57.680 7.416 -8.138 1.00 1.00 C ATOM 309 OG1 THR A 22 58.789 7.890 -8.888 1.00 1.00 O ATOM 310 CG2 THR A 22 56.828 8.601 -7.679 1.00 1.00 C ATOM 0 H THR A 22 59.800 7.887 -6.272 1.00 1.00 H new ATOM 0 HA THR A 22 57.354 6.166 -6.399 1.00 1.00 H new ATOM 0 HB THR A 22 57.075 6.757 -8.760 1.00 1.00 H new ATOM 0 HG1 THR A 22 59.345 7.132 -9.164 1.00 1.00 H new ATOM 0 HG21 THR A 22 56.469 9.150 -8.550 1.00 1.00 H new ATOM 0 HG22 THR A 22 55.977 8.236 -7.104 1.00 1.00 H new ATOM 0 HG23 THR A 22 57.430 9.262 -7.056 1.00 1.00 H new ATOM 318 N PRO A 23 59.164 4.417 -6.752 1.00 1.00 N ATOM 319 CA PRO A 23 60.071 3.290 -7.124 1.00 1.00 C ATOM 320 C PRO A 23 59.931 2.901 -8.600 1.00 1.00 C ATOM 321 O PRO A 23 58.949 2.314 -9.003 1.00 1.00 O ATOM 322 CB PRO A 23 59.622 2.131 -6.224 1.00 1.00 C ATOM 323 CG PRO A 23 58.897 2.768 -5.085 1.00 1.00 C ATOM 324 CD PRO A 23 58.291 4.067 -5.621 1.00 1.00 C ATOM 0 HA PRO A 23 61.119 3.559 -6.989 1.00 1.00 H new ATOM 0 HB2 PRO A 23 58.974 1.442 -6.766 1.00 1.00 H new ATOM 0 HB3 PRO A 23 60.477 1.554 -5.871 1.00 1.00 H new ATOM 0 HG2 PRO A 23 58.119 2.107 -4.703 1.00 1.00 H new ATOM 0 HG3 PRO A 23 59.577 2.971 -4.258 1.00 1.00 H new ATOM 0 HD2 PRO A 23 57.259 3.925 -5.941 1.00 1.00 H new ATOM 0 HD3 PRO A 23 58.285 4.849 -4.862 1.00 1.00 H new ATOM 332 N ARG A 24 60.908 3.222 -9.403 1.00 1.00 N ATOM 333 CA ARG A 24 60.834 2.868 -10.850 1.00 1.00 C ATOM 334 C ARG A 24 62.117 3.342 -11.542 1.00 1.00 C ATOM 335 O ARG A 24 62.331 3.096 -12.712 1.00 1.00 O ATOM 336 CB ARG A 24 59.609 3.550 -11.485 1.00 1.00 C ATOM 337 CG ARG A 24 58.597 2.487 -11.916 1.00 1.00 C ATOM 338 CD ARG A 24 57.238 3.144 -12.162 1.00 1.00 C ATOM 339 NE ARG A 24 56.491 3.236 -10.877 1.00 1.00 N ATOM 340 CZ ARG A 24 55.940 2.170 -10.364 1.00 1.00 C ATOM 341 NH1 ARG A 24 56.044 1.023 -10.978 1.00 1.00 N ATOM 342 NH2 ARG A 24 55.286 2.250 -9.238 1.00 1.00 N ATOM 0 H ARG A 24 61.755 3.714 -9.120 1.00 1.00 H new ATOM 0 HA ARG A 24 60.735 1.789 -10.966 1.00 1.00 H new ATOM 0 HB2 ARG A 24 59.151 4.235 -10.772 1.00 1.00 H new ATOM 0 HB3 ARG A 24 59.916 4.144 -12.345 1.00 1.00 H new ATOM 0 HG2 ARG A 24 58.941 1.989 -12.822 1.00 1.00 H new ATOM 0 HG3 ARG A 24 58.508 1.721 -11.146 1.00 1.00 H new ATOM 0 HD2 ARG A 24 57.374 4.138 -12.588 1.00 1.00 H new ATOM 0 HD3 ARG A 24 56.667 2.563 -12.886 1.00 1.00 H new ATOM 0 HE ARG A 24 56.410 4.133 -10.398 1.00 1.00 H new ATOM 0 HH11 ARG A 24 56.556 0.960 -11.858 1.00 1.00 H new ATOM 0 HH12 ARG A 24 55.614 0.189 -10.578 1.00 1.00 H new ATOM 0 HH21 ARG A 24 55.205 3.146 -8.758 1.00 1.00 H new ATOM 0 HH22 ARG A 24 54.856 1.416 -8.838 1.00 1.00 H new ATOM 356 N LYS A 25 62.972 4.015 -10.820 1.00 1.00 N ATOM 357 CA LYS A 25 64.244 4.501 -11.426 1.00 1.00 C ATOM 358 C LYS A 25 65.224 3.333 -11.545 1.00 1.00 C ATOM 359 O LYS A 25 65.195 2.405 -10.761 1.00 1.00 O ATOM 360 CB LYS A 25 64.852 5.593 -10.535 1.00 1.00 C ATOM 361 CG LYS A 25 65.056 5.050 -9.119 1.00 1.00 C ATOM 362 CD LYS A 25 66.487 4.529 -8.973 1.00 1.00 C ATOM 363 CE LYS A 25 67.367 5.618 -8.357 1.00 1.00 C ATOM 364 NZ LYS A 25 67.066 5.737 -6.903 1.00 1.00 N ATOM 0 H LYS A 25 62.844 4.249 -9.836 1.00 1.00 H new ATOM 0 HA LYS A 25 64.044 4.913 -12.415 1.00 1.00 H new ATOM 0 HB2 LYS A 25 65.805 5.924 -10.948 1.00 1.00 H new ATOM 0 HB3 LYS A 25 64.195 6.463 -10.510 1.00 1.00 H new ATOM 0 HG2 LYS A 25 64.867 5.835 -8.387 1.00 1.00 H new ATOM 0 HG3 LYS A 25 64.344 4.249 -8.919 1.00 1.00 H new ATOM 0 HD2 LYS A 25 66.499 3.639 -8.344 1.00 1.00 H new ATOM 0 HD3 LYS A 25 66.880 4.237 -9.947 1.00 1.00 H new ATOM 0 HE2 LYS A 25 68.420 5.375 -8.503 1.00 1.00 H new ATOM 0 HE3 LYS A 25 67.188 6.571 -8.855 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 67.874 6.175 -6.416 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 66.220 6.328 -6.771 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 66.894 4.791 -6.506 1.00 1.00 H new ATOM 378 N GLY A 26 66.096 3.370 -12.515 1.00 1.00 N ATOM 379 CA GLY A 26 67.077 2.258 -12.672 1.00 1.00 C ATOM 380 C GLY A 26 66.331 0.958 -12.989 1.00 1.00 C ATOM 381 O GLY A 26 65.874 0.265 -12.101 1.00 1.00 O ATOM 0 H GLY A 26 66.172 4.119 -13.203 1.00 1.00 H new ATOM 0 HA2 GLY A 26 67.781 2.490 -13.472 1.00 1.00 H new ATOM 0 HA3 GLY A 26 67.660 2.142 -11.758 1.00 1.00 H new ATOM 385 N PRO A 27 66.207 0.634 -14.246 1.00 1.00 N ATOM 386 CA PRO A 27 65.502 -0.601 -14.698 1.00 1.00 C ATOM 387 C PRO A 27 66.126 -1.868 -14.099 1.00 1.00 C ATOM 388 O PRO A 27 67.077 -1.798 -13.346 1.00 1.00 O ATOM 389 CB PRO A 27 65.658 -0.581 -16.227 1.00 1.00 C ATOM 390 CG PRO A 27 65.981 0.833 -16.580 1.00 1.00 C ATOM 391 CD PRO A 27 66.723 1.417 -15.379 1.00 1.00 C ATOM 0 HA PRO A 27 64.460 -0.617 -14.378 1.00 1.00 H new ATOM 0 HB2 PRO A 27 66.451 -1.256 -16.549 1.00 1.00 H new ATOM 0 HB3 PRO A 27 64.742 -0.908 -16.719 1.00 1.00 H new ATOM 0 HG2 PRO A 27 66.598 0.878 -17.478 1.00 1.00 H new ATOM 0 HG3 PRO A 27 65.073 1.399 -16.788 1.00 1.00 H new ATOM 0 HD2 PRO A 27 67.803 1.310 -15.483 1.00 1.00 H new ATOM 0 HD3 PRO A 27 66.518 2.481 -15.259 1.00 1.00 H new ATOM 399 N PRO A 28 65.592 -3.016 -14.426 1.00 1.00 N ATOM 400 CA PRO A 28 66.107 -4.317 -13.904 1.00 1.00 C ATOM 401 C PRO A 28 67.541 -4.600 -14.369 1.00 1.00 C ATOM 402 O PRO A 28 67.840 -4.538 -15.543 1.00 1.00 O ATOM 403 CB PRO A 28 65.140 -5.367 -14.480 1.00 1.00 C ATOM 404 CG PRO A 28 63.950 -4.607 -14.970 1.00 1.00 C ATOM 405 CD PRO A 28 64.441 -3.203 -15.320 1.00 1.00 C ATOM 0 HA PRO A 28 66.147 -4.322 -12.815 1.00 1.00 H new ATOM 0 HB2 PRO A 28 65.608 -5.925 -15.291 1.00 1.00 H new ATOM 0 HB3 PRO A 28 64.853 -6.092 -13.719 1.00 1.00 H new ATOM 0 HG2 PRO A 28 63.512 -5.093 -15.842 1.00 1.00 H new ATOM 0 HG3 PRO A 28 63.174 -4.567 -14.205 1.00 1.00 H new ATOM 0 HD2 PRO A 28 64.729 -3.127 -16.368 1.00 1.00 H new ATOM 0 HD3 PRO A 28 63.670 -2.452 -15.146 1.00 1.00 H new ATOM 413 N LYS A 29 68.418 -4.919 -13.448 1.00 1.00 N ATOM 414 CA LYS A 29 69.842 -5.221 -13.802 1.00 1.00 C ATOM 415 C LYS A 29 70.726 -4.929 -12.586 1.00 1.00 C ATOM 416 O LYS A 29 71.045 -3.793 -12.299 1.00 1.00 O ATOM 417 CB LYS A 29 70.303 -4.355 -14.986 1.00 1.00 C ATOM 418 CG LYS A 29 71.832 -4.336 -15.042 1.00 1.00 C ATOM 419 CD LYS A 29 72.287 -3.861 -16.423 1.00 1.00 C ATOM 420 CE LYS A 29 72.280 -2.332 -16.465 1.00 1.00 C ATOM 421 NZ LYS A 29 73.414 -1.807 -15.654 1.00 1.00 N ATOM 0 H LYS A 29 68.205 -4.984 -12.453 1.00 1.00 H new ATOM 0 HA LYS A 29 69.923 -6.270 -14.088 1.00 1.00 H new ATOM 0 HB2 LYS A 29 69.900 -4.751 -15.918 1.00 1.00 H new ATOM 0 HB3 LYS A 29 69.920 -3.340 -14.878 1.00 1.00 H new ATOM 0 HG2 LYS A 29 72.226 -3.675 -14.270 1.00 1.00 H new ATOM 0 HG3 LYS A 29 72.226 -5.332 -14.840 1.00 1.00 H new ATOM 0 HD2 LYS A 29 73.288 -4.237 -16.637 1.00 1.00 H new ATOM 0 HD3 LYS A 29 71.626 -4.259 -17.192 1.00 1.00 H new ATOM 0 HE2 LYS A 29 72.365 -1.986 -17.495 1.00 1.00 H new ATOM 0 HE3 LYS A 29 71.335 -1.951 -16.077 1.00 1.00 H new ATOM 0 HZ1 LYS A 29 73.678 -0.861 -15.997 1.00 1.00 H new ATOM 0 HZ2 LYS A 29 73.128 -1.746 -14.656 1.00 1.00 H new ATOM 0 HZ3 LYS A 29 74.229 -2.447 -15.742 1.00 1.00 H new ATOM 435 N CYS A 30 71.127 -5.944 -11.869 1.00 1.00 N ATOM 436 CA CYS A 30 71.992 -5.714 -10.677 1.00 1.00 C ATOM 437 C CYS A 30 72.830 -6.963 -10.404 1.00 1.00 C ATOM 438 O CYS A 30 74.021 -6.987 -10.644 1.00 1.00 O ATOM 439 CB CYS A 30 71.114 -5.409 -9.460 1.00 1.00 C ATOM 440 SG CYS A 30 70.174 -3.891 -9.759 1.00 1.00 S ATOM 0 H CYS A 30 70.894 -6.919 -12.056 1.00 1.00 H new ATOM 0 HA CYS A 30 72.654 -4.869 -10.867 1.00 1.00 H new ATOM 0 HB2 CYS A 30 70.434 -6.240 -9.272 1.00 1.00 H new ATOM 0 HB3 CYS A 30 71.734 -5.296 -8.570 1.00 1.00 H new ATOM 445 N LYS A 31 72.220 -7.998 -9.902 1.00 1.00 N ATOM 446 CA LYS A 31 72.986 -9.244 -9.614 1.00 1.00 C ATOM 447 C LYS A 31 73.712 -9.697 -10.885 1.00 1.00 C ATOM 448 O LYS A 31 73.787 -8.969 -11.854 1.00 1.00 O ATOM 449 CB LYS A 31 72.024 -10.339 -9.138 1.00 1.00 C ATOM 450 CG LYS A 31 71.168 -10.819 -10.312 1.00 1.00 C ATOM 451 CD LYS A 31 69.841 -11.369 -9.785 1.00 1.00 C ATOM 452 CE LYS A 31 70.115 -12.501 -8.793 1.00 1.00 C ATOM 453 NZ LYS A 31 71.137 -13.424 -9.363 1.00 1.00 N ATOM 0 H LYS A 31 71.226 -8.037 -9.678 1.00 1.00 H new ATOM 0 HA LYS A 31 73.720 -9.053 -8.831 1.00 1.00 H new ATOM 0 HB2 LYS A 31 72.586 -11.174 -8.720 1.00 1.00 H new ATOM 0 HB3 LYS A 31 71.385 -9.955 -8.343 1.00 1.00 H new ATOM 0 HG2 LYS A 31 70.984 -9.996 -11.002 1.00 1.00 H new ATOM 0 HG3 LYS A 31 71.698 -11.591 -10.870 1.00 1.00 H new ATOM 0 HD2 LYS A 31 69.273 -10.575 -9.299 1.00 1.00 H new ATOM 0 HD3 LYS A 31 69.233 -11.735 -10.612 1.00 1.00 H new ATOM 0 HE2 LYS A 31 70.467 -12.092 -7.846 1.00 1.00 H new ATOM 0 HE3 LYS A 31 69.194 -13.046 -8.583 1.00 1.00 H new ATOM 0 HZ1 LYS A 31 71.017 -14.372 -8.952 1.00 1.00 H new ATOM 0 HZ2 LYS A 31 71.020 -13.477 -10.395 1.00 1.00 H new ATOM 0 HZ3 LYS A 31 72.089 -13.068 -9.141 1.00 1.00 H new ATOM 467 N GLN A 32 74.253 -10.888 -10.886 1.00 1.00 N ATOM 468 CA GLN A 32 74.987 -11.389 -12.090 1.00 1.00 C ATOM 469 C GLN A 32 75.795 -10.249 -12.718 1.00 1.00 C ATOM 470 O GLN A 32 75.838 -10.093 -13.922 1.00 1.00 O ATOM 471 CB GLN A 32 73.996 -11.957 -13.119 1.00 1.00 C ATOM 472 CG GLN A 32 73.030 -10.859 -13.567 1.00 1.00 C ATOM 473 CD GLN A 32 72.195 -11.362 -14.746 1.00 1.00 C ATOM 474 OE1 GLN A 32 72.015 -12.646 -14.901 1.00 1.00 O flip ATOM 475 NE2 GLN A 32 71.700 -10.580 -15.533 1.00 1.00 N flip ATOM 0 H GLN A 32 74.219 -11.539 -10.102 1.00 1.00 H new ATOM 0 HA GLN A 32 75.667 -12.183 -11.783 1.00 1.00 H new ATOM 0 HB2 GLN A 32 74.537 -12.352 -13.979 1.00 1.00 H new ATOM 0 HB3 GLN A 32 73.441 -12.787 -12.683 1.00 1.00 H new ATOM 0 HG2 GLN A 32 72.378 -10.575 -12.741 1.00 1.00 H new ATOM 0 HG3 GLN A 32 73.586 -9.967 -13.856 1.00 1.00 H new ATOM 0 HE21 GLN A 32 71.841 -9.577 -15.412 1.00 1.00 H new ATOM 0 HE22 GLN A 32 71.144 -10.926 -16.315 1.00 1.00 H new ATOM 484 N ARG A 33 76.435 -9.451 -11.906 1.00 1.00 N ATOM 485 CA ARG A 33 77.240 -8.317 -12.445 1.00 1.00 C ATOM 486 C ARG A 33 78.048 -8.780 -13.659 1.00 1.00 C ATOM 487 O ARG A 33 78.430 -9.929 -13.762 1.00 1.00 O ATOM 488 CB ARG A 33 78.198 -7.814 -11.364 1.00 1.00 C ATOM 489 CG ARG A 33 77.404 -7.103 -10.267 1.00 1.00 C ATOM 490 CD ARG A 33 78.320 -6.819 -9.075 1.00 1.00 C ATOM 491 NE ARG A 33 77.592 -5.986 -8.076 1.00 1.00 N ATOM 492 CZ ARG A 33 76.649 -6.517 -7.348 1.00 1.00 C ATOM 493 NH1 ARG A 33 76.342 -7.777 -7.494 1.00 1.00 N ATOM 494 NH2 ARG A 33 76.011 -5.788 -6.473 1.00 1.00 N ATOM 0 H ARG A 33 76.435 -9.536 -10.890 1.00 1.00 H new ATOM 0 HA ARG A 33 76.567 -7.514 -12.746 1.00 1.00 H new ATOM 0 HB2 ARG A 33 78.756 -8.649 -10.940 1.00 1.00 H new ATOM 0 HB3 ARG A 33 78.928 -7.132 -11.799 1.00 1.00 H new ATOM 0 HG2 ARG A 33 76.989 -6.171 -10.650 1.00 1.00 H new ATOM 0 HG3 ARG A 33 76.563 -7.721 -9.953 1.00 1.00 H new ATOM 0 HD2 ARG A 33 78.641 -7.755 -8.619 1.00 1.00 H new ATOM 0 HD3 ARG A 33 79.220 -6.302 -9.409 1.00 1.00 H new ATOM 0 HE ARG A 33 77.831 -5.001 -7.962 1.00 1.00 H new ATOM 0 HH11 ARG A 33 76.840 -8.347 -8.178 1.00 1.00 H new ATOM 0 HH12 ARG A 33 75.604 -8.192 -6.924 1.00 1.00 H new ATOM 0 HH21 ARG A 33 76.250 -4.803 -6.359 1.00 1.00 H new ATOM 0 HH22 ARG A 33 75.274 -6.203 -5.904 1.00 1.00 H new ATOM 508 N GLN A 34 78.312 -7.888 -14.576 1.00 1.00 N ATOM 509 CA GLN A 34 79.100 -8.258 -15.788 1.00 1.00 C ATOM 510 C GLN A 34 80.145 -7.175 -16.052 1.00 1.00 C ATOM 511 O GLN A 34 81.241 -7.449 -16.497 1.00 1.00 O ATOM 512 CB GLN A 34 78.164 -8.368 -16.994 1.00 1.00 C ATOM 513 CG GLN A 34 76.923 -9.173 -16.606 1.00 1.00 C ATOM 514 CD GLN A 34 75.973 -9.258 -17.802 1.00 1.00 C ATOM 515 OE1 GLN A 34 75.375 -8.273 -18.189 1.00 1.00 O ATOM 516 NE2 GLN A 34 75.809 -10.401 -18.410 1.00 1.00 N ATOM 0 H GLN A 34 78.014 -6.913 -14.537 1.00 1.00 H new ATOM 0 HA GLN A 34 79.594 -9.216 -15.627 1.00 1.00 H new ATOM 0 HB2 GLN A 34 77.874 -7.374 -17.334 1.00 1.00 H new ATOM 0 HB3 GLN A 34 78.679 -8.851 -17.824 1.00 1.00 H new ATOM 0 HG2 GLN A 34 77.212 -10.174 -16.286 1.00 1.00 H new ATOM 0 HG3 GLN A 34 76.420 -8.701 -15.762 1.00 1.00 H new ATOM 0 HE21 GLN A 34 76.311 -11.228 -18.086 1.00 1.00 H new ATOM 0 HE22 GLN A 34 75.179 -10.468 -19.210 1.00 1.00 H new ATOM 525 N THR A 35 79.809 -5.944 -15.773 1.00 1.00 N ATOM 526 CA THR A 35 80.774 -4.827 -15.995 1.00 1.00 C ATOM 527 C THR A 35 81.305 -4.348 -14.643 1.00 1.00 C ATOM 528 O THR A 35 82.494 -4.354 -14.393 1.00 1.00 O ATOM 529 CB THR A 35 80.060 -3.671 -16.699 1.00 1.00 C ATOM 530 OG1 THR A 35 79.306 -4.178 -17.791 1.00 1.00 O ATOM 531 CG2 THR A 35 81.093 -2.667 -17.212 1.00 1.00 C ATOM 0 H THR A 35 78.903 -5.662 -15.399 1.00 1.00 H new ATOM 0 HA THR A 35 81.602 -5.173 -16.614 1.00 1.00 H new ATOM 0 HB THR A 35 79.392 -3.173 -15.996 1.00 1.00 H new ATOM 0 HG1 THR A 35 78.846 -3.439 -18.242 1.00 1.00 H new ATOM 0 HG21 THR A 35 80.583 -1.844 -17.713 1.00 1.00 H new ATOM 0 HG22 THR A 35 81.671 -2.279 -16.373 1.00 1.00 H new ATOM 0 HG23 THR A 35 81.763 -3.161 -17.916 1.00 1.00 H new ATOM 539 N ARG A 36 80.429 -3.937 -13.767 1.00 1.00 N ATOM 540 CA ARG A 36 80.876 -3.463 -12.428 1.00 1.00 C ATOM 541 C ARG A 36 81.848 -4.479 -11.830 1.00 1.00 C ATOM 542 O ARG A 36 83.044 -4.271 -11.801 1.00 1.00 O ATOM 543 CB ARG A 36 79.658 -3.321 -11.508 1.00 1.00 C ATOM 544 CG ARG A 36 78.922 -2.018 -11.826 1.00 1.00 C ATOM 545 CD ARG A 36 79.376 -0.925 -10.855 1.00 1.00 C ATOM 546 NE ARG A 36 78.970 -1.293 -9.469 1.00 1.00 N ATOM 547 CZ ARG A 36 77.713 -1.248 -9.124 1.00 1.00 C ATOM 548 NH1 ARG A 36 76.810 -0.881 -9.993 1.00 1.00 N ATOM 549 NH2 ARG A 36 77.357 -1.569 -7.910 1.00 1.00 N ATOM 0 H ARG A 36 79.421 -3.909 -13.922 1.00 1.00 H new ATOM 0 HA ARG A 36 81.373 -2.498 -12.528 1.00 1.00 H new ATOM 0 HB2 ARG A 36 78.988 -4.170 -11.641 1.00 1.00 H new ATOM 0 HB3 ARG A 36 79.975 -3.326 -10.465 1.00 1.00 H new ATOM 0 HG2 ARG A 36 79.125 -1.714 -12.853 1.00 1.00 H new ATOM 0 HG3 ARG A 36 77.845 -2.167 -11.745 1.00 1.00 H new ATOM 0 HD2 ARG A 36 80.458 -0.803 -10.908 1.00 1.00 H new ATOM 0 HD3 ARG A 36 78.933 0.031 -11.134 1.00 1.00 H new ATOM 0 HE ARG A 36 79.675 -1.580 -8.790 1.00 1.00 H new ATOM 0 HH11 ARG A 36 77.088 -0.630 -10.942 1.00 1.00 H new ATOM 0 HH12 ARG A 36 75.827 -0.846 -9.723 1.00 1.00 H new ATOM 0 HH21 ARG A 36 78.062 -1.855 -7.231 1.00 1.00 H new ATOM 0 HH22 ARG A 36 76.374 -1.534 -7.641 1.00 1.00 H new ATOM 563 N GLN A 37 81.338 -5.577 -11.353 1.00 1.00 N ATOM 564 CA GLN A 37 82.223 -6.615 -10.755 1.00 1.00 C ATOM 565 C GLN A 37 83.124 -5.971 -9.699 1.00 1.00 C ATOM 566 O GLN A 37 82.859 -4.887 -9.219 1.00 1.00 O ATOM 567 CB GLN A 37 83.089 -7.239 -11.851 1.00 1.00 C ATOM 568 CG GLN A 37 82.190 -7.832 -12.938 1.00 1.00 C ATOM 569 CD GLN A 37 83.015 -8.758 -13.834 1.00 1.00 C ATOM 570 OE1 GLN A 37 84.218 -8.848 -13.691 1.00 1.00 O ATOM 571 NE2 GLN A 37 82.415 -9.455 -14.759 1.00 1.00 N ATOM 0 H GLN A 37 80.343 -5.802 -11.351 1.00 1.00 H new ATOM 0 HA GLN A 37 81.612 -7.388 -10.289 1.00 1.00 H new ATOM 0 HB2 GLN A 37 83.748 -6.485 -12.281 1.00 1.00 H new ATOM 0 HB3 GLN A 37 83.726 -8.016 -11.428 1.00 1.00 H new ATOM 0 HG2 GLN A 37 81.369 -8.386 -12.483 1.00 1.00 H new ATOM 0 HG3 GLN A 37 81.746 -7.034 -13.533 1.00 1.00 H new ATOM 0 HE21 GLN A 37 81.405 -9.380 -14.880 1.00 1.00 H new ATOM 0 HE22 GLN A 37 82.956 -10.075 -15.362 1.00 1.00 H new ATOM 580 N CYS A 38 84.187 -6.632 -9.336 1.00 1.00 N ATOM 581 CA CYS A 38 85.109 -6.064 -8.313 1.00 1.00 C ATOM 582 C CYS A 38 86.416 -6.860 -8.313 1.00 1.00 C ATOM 583 O CYS A 38 87.422 -6.423 -7.790 1.00 1.00 O ATOM 584 CB CYS A 38 84.455 -6.153 -6.931 1.00 1.00 C ATOM 585 SG CYS A 38 83.618 -7.749 -6.762 1.00 1.00 S ATOM 0 H CYS A 38 84.458 -7.544 -9.705 1.00 1.00 H new ATOM 0 HA CYS A 38 85.318 -5.020 -8.548 1.00 1.00 H new ATOM 0 HB2 CYS A 38 85.209 -6.041 -6.152 1.00 1.00 H new ATOM 0 HB3 CYS A 38 83.741 -5.340 -6.802 1.00 1.00 H new ATOM 590 N LYS A 39 86.406 -8.027 -8.899 1.00 1.00 N ATOM 591 CA LYS A 39 87.643 -8.858 -8.939 1.00 1.00 C ATOM 592 C LYS A 39 88.009 -9.295 -7.518 1.00 1.00 C ATOM 593 O LYS A 39 88.970 -10.006 -7.305 1.00 1.00 O ATOM 594 CB LYS A 39 88.793 -8.038 -9.543 1.00 1.00 C ATOM 595 CG LYS A 39 89.706 -8.959 -10.354 1.00 1.00 C ATOM 596 CD LYS A 39 89.033 -9.304 -11.684 1.00 1.00 C ATOM 597 CE LYS A 39 89.060 -10.819 -11.893 1.00 1.00 C ATOM 598 NZ LYS A 39 88.333 -11.161 -13.148 1.00 1.00 N ATOM 0 H LYS A 39 85.592 -8.441 -9.353 1.00 1.00 H new ATOM 0 HA LYS A 39 87.470 -9.741 -9.554 1.00 1.00 H new ATOM 0 HB2 LYS A 39 88.395 -7.249 -10.181 1.00 1.00 H new ATOM 0 HB3 LYS A 39 89.361 -7.551 -8.751 1.00 1.00 H new ATOM 0 HG2 LYS A 39 90.664 -8.471 -10.535 1.00 1.00 H new ATOM 0 HG3 LYS A 39 89.913 -9.870 -9.792 1.00 1.00 H new ATOM 0 HD2 LYS A 39 88.004 -8.944 -11.687 1.00 1.00 H new ATOM 0 HD3 LYS A 39 89.548 -8.804 -12.504 1.00 1.00 H new ATOM 0 HE2 LYS A 39 90.090 -11.171 -11.950 1.00 1.00 H new ATOM 0 HE3 LYS A 39 88.598 -11.322 -11.044 1.00 1.00 H new ATOM 0 HZ1 LYS A 39 88.351 -12.191 -13.290 1.00 1.00 H new ATOM 0 HZ2 LYS A 39 87.347 -10.839 -13.077 1.00 1.00 H new ATOM 0 HZ3 LYS A 39 88.793 -10.692 -13.954 1.00 1.00 H new ATOM 612 N SER A 40 87.246 -8.874 -6.545 1.00 1.00 N ATOM 613 CA SER A 40 87.544 -9.262 -5.136 1.00 1.00 C ATOM 614 C SER A 40 86.665 -10.449 -4.738 1.00 1.00 C ATOM 615 O SER A 40 85.558 -10.602 -5.215 1.00 1.00 O ATOM 616 CB SER A 40 87.249 -8.080 -4.212 1.00 1.00 C ATOM 617 OG SER A 40 87.809 -6.899 -4.769 1.00 1.00 O ATOM 0 H SER A 40 86.428 -8.277 -6.666 1.00 1.00 H new ATOM 0 HA SER A 40 88.594 -9.541 -5.049 1.00 1.00 H new ATOM 0 HB2 SER A 40 86.173 -7.962 -4.086 1.00 1.00 H new ATOM 0 HB3 SER A 40 87.668 -8.263 -3.222 1.00 1.00 H new ATOM 0 HG SER A 40 87.621 -6.138 -4.180 1.00 1.00 H new ATOM 623 N LYS A 41 87.146 -11.288 -3.862 1.00 1.00 N ATOM 624 CA LYS A 41 86.333 -12.460 -3.430 1.00 1.00 C ATOM 625 C LYS A 41 85.101 -11.960 -2.668 1.00 1.00 C ATOM 626 O LYS A 41 85.096 -10.867 -2.138 1.00 1.00 O ATOM 627 CB LYS A 41 87.174 -13.375 -2.519 1.00 1.00 C ATOM 628 CG LYS A 41 88.315 -12.571 -1.892 1.00 1.00 C ATOM 629 CD LYS A 41 89.552 -12.655 -2.788 1.00 1.00 C ATOM 630 CE LYS A 41 90.706 -11.889 -2.139 1.00 1.00 C ATOM 631 NZ LYS A 41 90.272 -10.495 -1.843 1.00 1.00 N ATOM 0 H LYS A 41 88.066 -11.213 -3.427 1.00 1.00 H new ATOM 0 HA LYS A 41 86.018 -13.029 -4.305 1.00 1.00 H new ATOM 0 HB2 LYS A 41 86.546 -13.803 -1.738 1.00 1.00 H new ATOM 0 HB3 LYS A 41 87.577 -14.207 -3.096 1.00 1.00 H new ATOM 0 HG2 LYS A 41 88.014 -11.531 -1.766 1.00 1.00 H new ATOM 0 HG3 LYS A 41 88.545 -12.959 -0.900 1.00 1.00 H new ATOM 0 HD2 LYS A 41 89.833 -13.697 -2.940 1.00 1.00 H new ATOM 0 HD3 LYS A 41 89.331 -12.237 -3.770 1.00 1.00 H new ATOM 0 HE2 LYS A 41 91.017 -12.387 -1.221 1.00 1.00 H new ATOM 0 HE3 LYS A 41 91.570 -11.879 -2.804 1.00 1.00 H new ATOM 0 HZ1 LYS A 41 91.108 -9.885 -1.744 1.00 1.00 H new ATOM 0 HZ2 LYS A 41 89.677 -10.144 -2.621 1.00 1.00 H new ATOM 0 HZ3 LYS A 41 89.727 -10.482 -0.957 1.00 1.00 H new ATOM 645 N PRO A 42 84.063 -12.754 -2.614 1.00 1.00 N ATOM 646 CA PRO A 42 82.804 -12.381 -1.904 1.00 1.00 C ATOM 647 C PRO A 42 82.999 -12.325 -0.383 1.00 1.00 C ATOM 648 O PRO A 42 83.931 -12.895 0.149 1.00 1.00 O ATOM 649 CB PRO A 42 81.822 -13.496 -2.284 1.00 1.00 C ATOM 650 CG PRO A 42 82.676 -14.665 -2.650 1.00 1.00 C ATOM 651 CD PRO A 42 83.976 -14.093 -3.219 1.00 1.00 C ATOM 0 HA PRO A 42 82.455 -11.388 -2.187 1.00 1.00 H new ATOM 0 HB2 PRO A 42 81.160 -13.737 -1.452 1.00 1.00 H new ATOM 0 HB3 PRO A 42 81.189 -13.195 -3.118 1.00 1.00 H new ATOM 0 HG2 PRO A 42 82.875 -15.288 -1.778 1.00 1.00 H new ATOM 0 HG3 PRO A 42 82.176 -15.296 -3.385 1.00 1.00 H new ATOM 0 HD2 PRO A 42 84.835 -14.709 -2.953 1.00 1.00 H new ATOM 0 HD3 PRO A 42 83.947 -14.039 -4.307 1.00 1.00 H new ATOM 659 N PRO A 43 82.126 -11.641 0.310 1.00 1.00 N ATOM 660 CA PRO A 43 82.203 -11.509 1.794 1.00 1.00 C ATOM 661 C PRO A 43 81.786 -12.797 2.513 1.00 1.00 C ATOM 662 O PRO A 43 80.859 -13.473 2.111 1.00 1.00 O ATOM 663 CB PRO A 43 81.222 -10.376 2.106 1.00 1.00 C ATOM 664 CG PRO A 43 80.225 -10.410 0.995 1.00 1.00 C ATOM 665 CD PRO A 43 80.968 -10.920 -0.243 1.00 1.00 C ATOM 0 HA PRO A 43 83.220 -11.310 2.133 1.00 1.00 H new ATOM 0 HB2 PRO A 43 80.741 -10.526 3.073 1.00 1.00 H new ATOM 0 HB3 PRO A 43 81.732 -9.414 2.149 1.00 1.00 H new ATOM 0 HG2 PRO A 43 79.390 -11.065 1.243 1.00 1.00 H new ATOM 0 HG3 PRO A 43 79.810 -9.418 0.817 1.00 1.00 H new ATOM 0 HD2 PRO A 43 80.339 -11.576 -0.844 1.00 1.00 H new ATOM 0 HD3 PRO A 43 81.280 -10.099 -0.888 1.00 1.00 H new ATOM 673 N LYS A 44 82.463 -13.137 3.575 1.00 1.00 N ATOM 674 CA LYS A 44 82.109 -14.376 4.324 1.00 1.00 C ATOM 675 C LYS A 44 82.522 -14.206 5.789 1.00 1.00 C ATOM 676 O LYS A 44 81.820 -14.610 6.694 1.00 1.00 O ATOM 677 CB LYS A 44 82.850 -15.573 3.706 1.00 1.00 C ATOM 678 CG LYS A 44 81.923 -16.789 3.675 1.00 1.00 C ATOM 679 CD LYS A 44 81.602 -17.224 5.106 1.00 1.00 C ATOM 680 CE LYS A 44 80.867 -18.566 5.080 1.00 1.00 C ATOM 681 NZ LYS A 44 81.799 -19.635 4.624 1.00 1.00 N ATOM 0 H LYS A 44 83.248 -12.609 3.957 1.00 1.00 H new ATOM 0 HA LYS A 44 81.035 -14.554 4.267 1.00 1.00 H new ATOM 0 HB2 LYS A 44 83.179 -15.328 2.696 1.00 1.00 H new ATOM 0 HB3 LYS A 44 83.744 -15.799 4.287 1.00 1.00 H new ATOM 0 HG2 LYS A 44 81.003 -16.545 3.143 1.00 1.00 H new ATOM 0 HG3 LYS A 44 82.397 -17.607 3.133 1.00 1.00 H new ATOM 0 HD2 LYS A 44 82.521 -17.312 5.685 1.00 1.00 H new ATOM 0 HD3 LYS A 44 80.987 -16.470 5.597 1.00 1.00 H new ATOM 0 HE2 LYS A 44 80.484 -18.802 6.073 1.00 1.00 H new ATOM 0 HE3 LYS A 44 80.008 -18.509 4.412 1.00 1.00 H new ATOM 0 HZ1 LYS A 44 81.470 -20.556 4.977 1.00 1.00 H new ATOM 0 HZ2 LYS A 44 81.826 -19.652 3.584 1.00 1.00 H new ATOM 0 HZ3 LYS A 44 82.753 -19.444 4.992 1.00 1.00 H new ATOM 695 N LYS A 45 83.654 -13.601 6.024 1.00 1.00 N ATOM 696 CA LYS A 45 84.118 -13.390 7.425 1.00 1.00 C ATOM 697 C LYS A 45 84.964 -12.114 7.481 1.00 1.00 C ATOM 698 O LYS A 45 86.178 -12.159 7.466 1.00 1.00 O ATOM 699 CB LYS A 45 84.959 -14.598 7.874 1.00 1.00 C ATOM 700 CG LYS A 45 84.118 -15.500 8.779 1.00 1.00 C ATOM 701 CD LYS A 45 84.139 -14.953 10.208 1.00 1.00 C ATOM 702 CE LYS A 45 83.206 -15.787 11.088 1.00 1.00 C ATOM 703 NZ LYS A 45 83.024 -15.108 12.402 1.00 1.00 N ATOM 0 H LYS A 45 84.280 -13.242 5.303 1.00 1.00 H new ATOM 0 HA LYS A 45 83.261 -13.288 8.091 1.00 1.00 H new ATOM 0 HB2 LYS A 45 85.303 -15.158 7.004 1.00 1.00 H new ATOM 0 HB3 LYS A 45 85.847 -14.258 8.406 1.00 1.00 H new ATOM 0 HG2 LYS A 45 83.093 -15.547 8.412 1.00 1.00 H new ATOM 0 HG3 LYS A 45 84.510 -16.517 8.762 1.00 1.00 H new ATOM 0 HD2 LYS A 45 85.154 -14.983 10.605 1.00 1.00 H new ATOM 0 HD3 LYS A 45 83.825 -13.909 10.214 1.00 1.00 H new ATOM 0 HE2 LYS A 45 82.242 -15.914 10.596 1.00 1.00 H new ATOM 0 HE3 LYS A 45 83.622 -16.783 11.236 1.00 1.00 H new ATOM 0 HZ1 LYS A 45 82.390 -15.675 13.001 1.00 1.00 H new ATOM 0 HZ2 LYS A 45 83.946 -15.008 12.872 1.00 1.00 H new ATOM 0 HZ3 LYS A 45 82.609 -14.166 12.252 1.00 1.00 H new ATOM 717 N GLY A 46 84.328 -10.976 7.539 1.00 1.00 N ATOM 718 CA GLY A 46 85.091 -9.697 7.590 1.00 1.00 C ATOM 719 C GLY A 46 85.668 -9.391 6.207 1.00 1.00 C ATOM 720 O GLY A 46 85.009 -8.817 5.362 1.00 1.00 O ATOM 0 H GLY A 46 83.313 -10.877 7.553 1.00 1.00 H new ATOM 0 HA2 GLY A 46 84.439 -8.885 7.911 1.00 1.00 H new ATOM 0 HA3 GLY A 46 85.895 -9.770 8.323 1.00 1.00 H new ATOM 724 N VAL A 47 86.893 -9.773 5.967 1.00 1.00 N ATOM 725 CA VAL A 47 87.512 -9.506 4.637 1.00 1.00 C ATOM 726 C VAL A 47 87.251 -8.056 4.230 1.00 1.00 C ATOM 727 O VAL A 47 86.246 -7.740 3.623 1.00 1.00 O ATOM 728 CB VAL A 47 86.908 -10.451 3.597 1.00 1.00 C ATOM 729 CG1 VAL A 47 87.382 -10.045 2.200 1.00 1.00 C ATOM 730 CG2 VAL A 47 87.358 -11.884 3.890 1.00 1.00 C ATOM 0 H VAL A 47 87.492 -10.259 6.635 1.00 1.00 H new ATOM 0 HA VAL A 47 88.588 -9.672 4.697 1.00 1.00 H new ATOM 0 HB VAL A 47 85.820 -10.393 3.642 1.00 1.00 H new ATOM 0 HG11 VAL A 47 86.951 -10.719 1.459 1.00 1.00 H new ATOM 0 HG12 VAL A 47 87.064 -9.024 1.990 1.00 1.00 H new ATOM 0 HG13 VAL A 47 88.469 -10.103 2.154 1.00 1.00 H new ATOM 0 HG21 VAL A 47 86.928 -12.559 3.150 1.00 1.00 H new ATOM 0 HG22 VAL A 47 88.446 -11.940 3.844 1.00 1.00 H new ATOM 0 HG23 VAL A 47 87.021 -12.175 4.885 1.00 1.00 H new ATOM 740 N GLN A 48 88.153 -7.172 4.561 1.00 1.00 N ATOM 741 CA GLN A 48 87.972 -5.736 4.198 1.00 1.00 C ATOM 742 C GLN A 48 89.314 -5.155 3.751 1.00 1.00 C ATOM 743 O GLN A 48 90.172 -5.858 3.255 1.00 1.00 O ATOM 744 CB GLN A 48 87.466 -4.955 5.416 1.00 1.00 C ATOM 745 CG GLN A 48 86.246 -5.661 6.011 1.00 1.00 C ATOM 746 CD GLN A 48 86.702 -6.662 7.073 1.00 1.00 C ATOM 747 OE1 GLN A 48 87.483 -7.550 6.792 1.00 1.00 O ATOM 748 NE2 GLN A 48 86.245 -6.557 8.291 1.00 1.00 N ATOM 0 H GLN A 48 89.012 -7.383 5.070 1.00 1.00 H new ATOM 0 HA GLN A 48 87.246 -5.657 3.389 1.00 1.00 H new ATOM 0 HB2 GLN A 48 88.255 -4.879 6.164 1.00 1.00 H new ATOM 0 HB3 GLN A 48 87.203 -3.938 5.125 1.00 1.00 H new ATOM 0 HG2 GLN A 48 85.569 -4.930 6.453 1.00 1.00 H new ATOM 0 HG3 GLN A 48 85.692 -6.175 5.226 1.00 1.00 H new ATOM 0 HE21 GLN A 48 85.590 -5.812 8.527 1.00 1.00 H new ATOM 0 HE22 GLN A 48 86.543 -7.220 9.007 1.00 1.00 H new ATOM 757 N GLY A 49 89.503 -3.875 3.924 1.00 1.00 N ATOM 758 CA GLY A 49 90.791 -3.249 3.511 1.00 1.00 C ATOM 759 C GLY A 49 90.884 -3.226 1.984 1.00 1.00 C ATOM 760 O GLY A 49 91.921 -2.936 1.421 1.00 1.00 O ATOM 0 H GLY A 49 88.821 -3.236 4.333 1.00 1.00 H new ATOM 0 HA2 GLY A 49 90.857 -2.235 3.905 1.00 1.00 H new ATOM 0 HA3 GLY A 49 91.629 -3.808 3.928 1.00 1.00 H new ATOM 764 N CYS A 50 89.810 -3.531 1.310 1.00 1.00 N ATOM 765 CA CYS A 50 89.839 -3.527 -0.180 1.00 1.00 C ATOM 766 C CYS A 50 90.454 -2.216 -0.675 1.00 1.00 C ATOM 767 O CYS A 50 91.155 -2.185 -1.667 1.00 1.00 O ATOM 768 CB CYS A 50 88.412 -3.664 -0.717 1.00 1.00 C ATOM 769 SG CYS A 50 87.955 -5.414 -0.772 1.00 1.00 S ATOM 0 H CYS A 50 88.913 -3.783 1.726 1.00 1.00 H new ATOM 0 HA CYS A 50 90.440 -4.363 -0.536 1.00 1.00 H new ATOM 0 HB2 CYS A 50 87.718 -3.116 -0.080 1.00 1.00 H new ATOM 0 HB3 CYS A 50 88.343 -3.227 -1.713 1.00 1.00 H new ATOM 774 N GLY A 51 90.203 -1.133 0.009 1.00 1.00 N ATOM 775 CA GLY A 51 90.779 0.174 -0.421 1.00 1.00 C ATOM 776 C GLY A 51 90.553 0.367 -1.922 1.00 1.00 C ATOM 777 O GLY A 51 91.396 0.040 -2.734 1.00 1.00 O ATOM 0 H GLY A 51 89.624 -1.096 0.848 1.00 1.00 H new ATOM 0 HA2 GLY A 51 90.313 0.988 0.134 1.00 1.00 H new ATOM 0 HA3 GLY A 51 91.845 0.204 -0.197 1.00 1.00 H new ATOM 781 N ASP A 52 89.422 0.897 -2.297 1.00 1.00 N ATOM 782 CA ASP A 52 89.141 1.112 -3.745 1.00 1.00 C ATOM 783 C ASP A 52 89.971 2.292 -4.258 1.00 1.00 C ATOM 784 O ASP A 52 90.747 2.879 -3.531 1.00 1.00 O ATOM 785 CB ASP A 52 87.651 1.413 -3.932 1.00 1.00 C ATOM 786 CG ASP A 52 87.265 1.195 -5.396 1.00 1.00 C ATOM 787 OD1 ASP A 52 87.658 0.180 -5.947 1.00 1.00 O ATOM 788 OD2 ASP A 52 86.583 2.047 -5.941 1.00 1.00 O ATOM 0 H ASP A 52 88.679 1.191 -1.663 1.00 1.00 H new ATOM 0 HA ASP A 52 89.405 0.215 -4.305 1.00 1.00 H new ATOM 0 HB2 ASP A 52 87.055 0.766 -3.288 1.00 1.00 H new ATOM 0 HB3 ASP A 52 87.437 2.441 -3.638 1.00 1.00 H new ATOM 793 N ASP A 53 89.814 2.644 -5.507 1.00 1.00 N ATOM 794 CA ASP A 53 90.596 3.786 -6.062 1.00 1.00 C ATOM 795 C ASP A 53 89.915 4.307 -7.331 1.00 1.00 C ATOM 796 O ASP A 53 90.565 4.775 -8.245 1.00 1.00 O ATOM 797 CB ASP A 53 92.014 3.318 -6.400 1.00 1.00 C ATOM 798 CG ASP A 53 92.830 3.187 -5.112 1.00 1.00 C ATOM 799 OD1 ASP A 53 92.972 4.182 -4.421 1.00 1.00 O ATOM 800 OD2 ASP A 53 93.298 2.094 -4.840 1.00 1.00 O ATOM 0 H ASP A 53 89.180 2.191 -6.165 1.00 1.00 H new ATOM 0 HA ASP A 53 90.643 4.585 -5.322 1.00 1.00 H new ATOM 0 HB2 ASP A 53 91.978 2.360 -6.919 1.00 1.00 H new ATOM 0 HB3 ASP A 53 92.492 4.028 -7.075 1.00 1.00 H new ATOM 805 N ILE A 54 88.611 4.229 -7.393 1.00 1.00 N ATOM 806 CA ILE A 54 87.879 4.719 -8.600 1.00 1.00 C ATOM 807 C ILE A 54 86.955 5.876 -8.195 1.00 1.00 C ATOM 808 O ILE A 54 85.800 5.672 -7.881 1.00 1.00 O ATOM 809 CB ILE A 54 87.038 3.578 -9.185 1.00 1.00 C ATOM 810 CG1 ILE A 54 87.965 2.517 -9.781 1.00 1.00 C ATOM 811 CG2 ILE A 54 86.123 4.127 -10.281 1.00 1.00 C ATOM 812 CD1 ILE A 54 88.661 1.754 -8.652 1.00 1.00 C ATOM 0 H ILE A 54 88.019 3.845 -6.657 1.00 1.00 H new ATOM 0 HA ILE A 54 88.594 5.064 -9.347 1.00 1.00 H new ATOM 0 HB ILE A 54 86.432 3.132 -8.396 1.00 1.00 H new ATOM 0 HG12 ILE A 54 87.394 1.827 -10.402 1.00 1.00 H new ATOM 0 HG13 ILE A 54 88.706 2.988 -10.427 1.00 1.00 H new ATOM 0 HG21 ILE A 54 85.525 3.316 -10.696 1.00 1.00 H new ATOM 0 HG22 ILE A 54 85.463 4.884 -9.858 1.00 1.00 H new ATOM 0 HG23 ILE A 54 86.728 4.573 -11.070 1.00 1.00 H new ATOM 0 HD11 ILE A 54 89.321 0.998 -9.077 1.00 1.00 H new ATOM 0 HD12 ILE A 54 89.246 2.449 -8.049 1.00 1.00 H new ATOM 0 HD13 ILE A 54 87.913 1.270 -8.024 1.00 1.00 H new ATOM 824 N PRO A 55 87.463 7.083 -8.197 1.00 1.00 N ATOM 825 CA PRO A 55 86.676 8.288 -7.820 1.00 1.00 C ATOM 826 C PRO A 55 85.860 8.843 -8.994 1.00 1.00 C ATOM 827 O PRO A 55 85.641 10.034 -9.101 1.00 1.00 O ATOM 828 CB PRO A 55 87.755 9.282 -7.396 1.00 1.00 C ATOM 829 CG PRO A 55 88.949 8.930 -8.223 1.00 1.00 C ATOM 830 CD PRO A 55 88.847 7.436 -8.554 1.00 1.00 C ATOM 0 HA PRO A 55 85.940 8.076 -7.045 1.00 1.00 H new ATOM 0 HB2 PRO A 55 87.439 10.309 -7.576 1.00 1.00 H new ATOM 0 HB3 PRO A 55 87.973 9.198 -6.331 1.00 1.00 H new ATOM 0 HG2 PRO A 55 88.974 9.525 -9.136 1.00 1.00 H new ATOM 0 HG3 PRO A 55 89.870 9.142 -7.679 1.00 1.00 H new ATOM 0 HD2 PRO A 55 89.047 7.247 -9.609 1.00 1.00 H new ATOM 0 HD3 PRO A 55 89.568 6.851 -7.983 1.00 1.00 H new ATOM 838 N GLY A 56 85.411 7.991 -9.875 1.00 1.00 N ATOM 839 CA GLY A 56 84.613 8.473 -11.038 1.00 1.00 C ATOM 840 C GLY A 56 83.168 8.723 -10.602 1.00 1.00 C ATOM 841 O GLY A 56 82.378 9.286 -11.333 1.00 1.00 O ATOM 0 H GLY A 56 85.562 6.983 -9.840 1.00 1.00 H new ATOM 0 HA2 GLY A 56 85.048 9.391 -11.435 1.00 1.00 H new ATOM 0 HA3 GLY A 56 84.639 7.735 -11.840 1.00 1.00 H new ATOM 845 N MET A 57 82.816 8.310 -9.414 1.00 1.00 N ATOM 846 CA MET A 57 81.421 8.527 -8.935 1.00 1.00 C ATOM 847 C MET A 57 81.292 9.942 -8.367 1.00 1.00 C ATOM 848 O MET A 57 81.118 10.134 -7.180 1.00 1.00 O ATOM 849 CB MET A 57 81.086 7.502 -7.846 1.00 1.00 C ATOM 850 CG MET A 57 82.104 7.607 -6.709 1.00 1.00 C ATOM 851 SD MET A 57 82.378 5.969 -5.991 1.00 1.00 S ATOM 852 CE MET A 57 80.837 5.874 -5.047 1.00 1.00 C ATOM 0 H MET A 57 83.433 7.833 -8.756 1.00 1.00 H new ATOM 0 HA MET A 57 80.728 8.406 -9.768 1.00 1.00 H new ATOM 0 HB2 MET A 57 80.080 7.678 -7.464 1.00 1.00 H new ATOM 0 HB3 MET A 57 81.096 6.496 -8.265 1.00 1.00 H new ATOM 0 HG2 MET A 57 83.043 8.013 -7.084 1.00 1.00 H new ATOM 0 HG3 MET A 57 81.742 8.295 -5.945 1.00 1.00 H new ATOM 0 HE1 MET A 57 81.064 5.853 -3.981 1.00 1.00 H new ATOM 0 HE2 MET A 57 80.220 6.744 -5.269 1.00 1.00 H new ATOM 0 HE3 MET A 57 80.298 4.967 -5.321 1.00 1.00 H new ATOM 862 N GLU A 58 81.376 10.935 -9.208 1.00 1.00 N ATOM 863 CA GLU A 58 81.259 12.338 -8.721 1.00 1.00 C ATOM 864 C GLU A 58 79.976 12.491 -7.900 1.00 1.00 C ATOM 865 O GLU A 58 79.867 13.360 -7.058 1.00 1.00 O ATOM 866 CB GLU A 58 81.212 13.288 -9.919 1.00 1.00 C ATOM 867 CG GLU A 58 82.486 13.124 -10.751 1.00 1.00 C ATOM 868 CD GLU A 58 82.297 13.796 -12.112 1.00 1.00 C ATOM 869 OE1 GLU A 58 82.314 15.015 -12.157 1.00 1.00 O ATOM 870 OE2 GLU A 58 82.138 13.080 -13.087 1.00 1.00 O ATOM 0 H GLU A 58 81.521 10.835 -10.213 1.00 1.00 H new ATOM 0 HA GLU A 58 82.119 12.578 -8.096 1.00 1.00 H new ATOM 0 HB2 GLU A 58 80.335 13.075 -10.531 1.00 1.00 H new ATOM 0 HB3 GLU A 58 81.119 14.318 -9.576 1.00 1.00 H new ATOM 0 HG2 GLU A 58 83.334 13.568 -10.229 1.00 1.00 H new ATOM 0 HG3 GLU A 58 82.712 12.066 -10.884 1.00 1.00 H new ATOM 877 N GLY A 59 79.004 11.654 -8.140 1.00 1.00 N ATOM 878 CA GLY A 59 77.728 11.754 -7.376 1.00 1.00 C ATOM 879 C GLY A 59 78.025 11.788 -5.876 1.00 1.00 C ATOM 880 O GLY A 59 78.720 10.941 -5.353 1.00 1.00 O ATOM 0 H GLY A 59 79.038 10.905 -8.832 1.00 1.00 H new ATOM 0 HA2 GLY A 59 77.187 12.654 -7.670 1.00 1.00 H new ATOM 0 HA3 GLY A 59 77.086 10.905 -7.610 1.00 1.00 H new ATOM 884 N CYS A 60 77.500 12.762 -5.181 1.00 1.00 N ATOM 885 CA CYS A 60 77.744 12.858 -3.713 1.00 1.00 C ATOM 886 C CYS A 60 79.221 13.168 -3.455 1.00 1.00 C ATOM 887 O CYS A 60 79.571 13.786 -2.469 1.00 1.00 O ATOM 888 CB CYS A 60 77.369 11.533 -3.045 1.00 1.00 C ATOM 889 SG CYS A 60 75.890 10.856 -3.838 1.00 1.00 S ATOM 0 H CYS A 60 76.910 13.498 -5.569 1.00 1.00 H new ATOM 0 HA CYS A 60 77.133 13.658 -3.296 1.00 1.00 H new ATOM 0 HB2 CYS A 60 78.194 10.826 -3.126 1.00 1.00 H new ATOM 0 HB3 CYS A 60 77.186 11.688 -1.982 1.00 1.00 H new ATOM 894 N GLY A 61 80.091 12.750 -4.333 1.00 1.00 N ATOM 895 CA GLY A 61 81.541 13.030 -4.135 1.00 1.00 C ATOM 896 C GLY A 61 82.108 12.092 -3.068 1.00 1.00 C ATOM 897 O GLY A 61 81.654 12.071 -1.941 1.00 1.00 O ATOM 0 H GLY A 61 79.861 12.227 -5.178 1.00 1.00 H new ATOM 0 HA2 GLY A 61 82.078 12.895 -5.074 1.00 1.00 H new ATOM 0 HA3 GLY A 61 81.683 14.068 -3.833 1.00 1.00 H new ATOM 901 N THR A 62 83.099 11.317 -3.417 1.00 1.00 N ATOM 902 CA THR A 62 83.705 10.378 -2.429 1.00 1.00 C ATOM 903 C THR A 62 84.973 11.005 -1.845 1.00 1.00 C ATOM 904 O THR A 62 86.051 10.869 -2.390 1.00 1.00 O ATOM 905 CB THR A 62 84.062 9.064 -3.134 1.00 1.00 C ATOM 906 OG1 THR A 62 84.476 9.340 -4.464 1.00 1.00 O ATOM 907 CG2 THR A 62 82.838 8.146 -3.158 1.00 1.00 C ATOM 0 H THR A 62 83.517 11.294 -4.347 1.00 1.00 H new ATOM 0 HA THR A 62 82.995 10.180 -1.626 1.00 1.00 H new ATOM 0 HB THR A 62 84.872 8.571 -2.596 1.00 1.00 H new ATOM 0 HG1 THR A 62 84.706 8.501 -4.916 1.00 1.00 H new ATOM 0 HG21 THR A 62 83.093 7.212 -3.659 1.00 1.00 H new ATOM 0 HG22 THR A 62 82.522 7.935 -2.137 1.00 1.00 H new ATOM 0 HG23 THR A 62 82.026 8.636 -3.695 1.00 1.00 H new ATOM 915 N ASP A 63 84.857 11.686 -0.739 1.00 1.00 N ATOM 916 CA ASP A 63 86.061 12.313 -0.126 1.00 1.00 C ATOM 917 C ASP A 63 86.989 11.216 0.398 1.00 1.00 C ATOM 918 O ASP A 63 88.143 11.456 0.693 1.00 1.00 O ATOM 919 CB ASP A 63 85.636 13.219 1.033 1.00 1.00 C ATOM 920 CG ASP A 63 84.581 12.505 1.879 1.00 1.00 C ATOM 921 OD1 ASP A 63 84.493 11.292 1.782 1.00 1.00 O ATOM 922 OD2 ASP A 63 83.878 13.183 2.611 1.00 1.00 O ATOM 0 H ASP A 63 83.983 11.835 -0.234 1.00 1.00 H new ATOM 0 HA ASP A 63 86.583 12.908 -0.875 1.00 1.00 H new ATOM 0 HB2 ASP A 63 86.500 13.471 1.647 1.00 1.00 H new ATOM 0 HB3 ASP A 63 85.235 14.156 0.648 1.00 1.00 H new ATOM 927 N ILE A 64 86.492 10.011 0.512 1.00 1.00 N ATOM 928 CA ILE A 64 87.340 8.891 1.015 1.00 1.00 C ATOM 929 C ILE A 64 87.287 7.719 0.039 1.00 1.00 C ATOM 930 O ILE A 64 88.287 7.091 -0.242 1.00 1.00 O ATOM 931 CB ILE A 64 86.825 8.418 2.372 1.00 1.00 C ATOM 932 CG1 ILE A 64 87.037 9.522 3.410 1.00 1.00 C ATOM 933 CG2 ILE A 64 87.590 7.164 2.800 1.00 1.00 C ATOM 934 CD1 ILE A 64 88.525 9.868 3.492 1.00 1.00 C ATOM 0 H ILE A 64 85.533 9.755 0.278 1.00 1.00 H new ATOM 0 HA ILE A 64 88.365 9.248 1.111 1.00 1.00 H new ATOM 0 HB ILE A 64 85.762 8.187 2.297 1.00 1.00 H new ATOM 0 HG12 ILE A 64 86.462 10.407 3.138 1.00 1.00 H new ATOM 0 HG13 ILE A 64 86.675 9.194 4.384 1.00 1.00 H new ATOM 0 HG21 ILE A 64 87.222 6.826 3.769 1.00 1.00 H new ATOM 0 HG22 ILE A 64 87.441 6.377 2.061 1.00 1.00 H new ATOM 0 HG23 ILE A 64 88.653 7.394 2.875 1.00 1.00 H new ATOM 0 HD11 ILE A 64 88.675 10.654 4.232 1.00 1.00 H new ATOM 0 HD12 ILE A 64 89.089 8.982 3.784 1.00 1.00 H new ATOM 0 HD13 ILE A 64 88.872 10.214 2.519 1.00 1.00 H new ATOM 946 N THR A 65 86.121 7.403 -0.451 1.00 1.00 N ATOM 947 CA THR A 65 85.980 6.250 -1.384 1.00 1.00 C ATOM 948 C THR A 65 85.882 4.972 -0.555 1.00 1.00 C ATOM 949 O THR A 65 85.013 4.149 -0.760 1.00 1.00 O ATOM 950 CB THR A 65 87.189 6.173 -2.328 1.00 1.00 C ATOM 951 OG1 THR A 65 87.701 7.480 -2.546 1.00 1.00 O ATOM 952 CG2 THR A 65 86.759 5.562 -3.663 1.00 1.00 C ATOM 0 H THR A 65 85.253 7.898 -0.244 1.00 1.00 H new ATOM 0 HA THR A 65 85.084 6.374 -1.992 1.00 1.00 H new ATOM 0 HB THR A 65 87.962 5.550 -1.879 1.00 1.00 H new ATOM 0 HG1 THR A 65 88.482 7.625 -1.972 1.00 1.00 H new ATOM 0 HG21 THR A 65 87.618 5.508 -4.332 1.00 1.00 H new ATOM 0 HG22 THR A 65 86.367 4.559 -3.495 1.00 1.00 H new ATOM 0 HG23 THR A 65 85.986 6.183 -4.115 1.00 1.00 H new ATOM 960 N VAL A 66 86.758 4.814 0.396 1.00 1.00 N ATOM 961 CA VAL A 66 86.709 3.606 1.260 1.00 1.00 C ATOM 962 C VAL A 66 85.680 3.844 2.366 1.00 1.00 C ATOM 963 O VAL A 66 84.653 3.197 2.422 1.00 1.00 O ATOM 964 CB VAL A 66 88.090 3.364 1.880 1.00 1.00 C ATOM 965 CG1 VAL A 66 88.239 1.884 2.236 1.00 1.00 C ATOM 966 CG2 VAL A 66 89.175 3.757 0.875 1.00 1.00 C ATOM 0 H VAL A 66 87.507 5.472 0.612 1.00 1.00 H new ATOM 0 HA VAL A 66 86.428 2.733 0.672 1.00 1.00 H new ATOM 0 HB VAL A 66 88.193 3.966 2.783 1.00 1.00 H new ATOM 0 HG11 VAL A 66 89.221 1.713 2.677 1.00 1.00 H new ATOM 0 HG12 VAL A 66 87.466 1.602 2.951 1.00 1.00 H new ATOM 0 HG13 VAL A 66 88.136 1.281 1.334 1.00 1.00 H new ATOM 0 HG21 VAL A 66 90.158 3.585 1.315 1.00 1.00 H new ATOM 0 HG22 VAL A 66 89.071 3.154 -0.027 1.00 1.00 H new ATOM 0 HG23 VAL A 66 89.071 4.812 0.621 1.00 1.00 H new ATOM 976 N ILE A 67 85.946 4.779 3.243 1.00 1.00 N ATOM 977 CA ILE A 67 84.985 5.075 4.343 1.00 1.00 C ATOM 978 C ILE A 67 84.809 6.593 4.498 1.00 1.00 C ATOM 979 O ILE A 67 85.519 7.238 5.245 1.00 1.00 O ATOM 980 CB ILE A 67 85.515 4.491 5.654 1.00 1.00 C ATOM 981 CG1 ILE A 67 85.529 2.964 5.562 1.00 1.00 C ATOM 982 CG2 ILE A 67 84.609 4.922 6.809 1.00 1.00 C ATOM 983 CD1 ILE A 67 86.277 2.386 6.765 1.00 1.00 C ATOM 0 H ILE A 67 86.791 5.351 3.242 1.00 1.00 H new ATOM 0 HA ILE A 67 84.021 4.627 4.101 1.00 1.00 H new ATOM 0 HB ILE A 67 86.527 4.855 5.830 1.00 1.00 H new ATOM 0 HG12 ILE A 67 84.509 2.581 5.537 1.00 1.00 H new ATOM 0 HG13 ILE A 67 86.010 2.649 4.636 1.00 1.00 H new ATOM 0 HG21 ILE A 67 84.987 4.506 7.743 1.00 1.00 H new ATOM 0 HG22 ILE A 67 84.597 6.010 6.875 1.00 1.00 H new ATOM 0 HG23 ILE A 67 83.597 4.558 6.633 1.00 1.00 H new ATOM 0 HD11 ILE A 67 86.287 1.298 6.699 1.00 1.00 H new ATOM 0 HD12 ILE A 67 87.301 2.758 6.770 1.00 1.00 H new ATOM 0 HD13 ILE A 67 85.777 2.689 7.685 1.00 1.00 H new ATOM 995 N CYS A 68 83.860 7.164 3.808 1.00 1.00 N ATOM 996 CA CYS A 68 83.621 8.630 3.921 1.00 1.00 C ATOM 997 C CYS A 68 83.176 8.964 5.350 1.00 1.00 C ATOM 998 O CYS A 68 82.606 8.140 6.037 1.00 1.00 O ATOM 999 CB CYS A 68 82.526 9.040 2.928 1.00 1.00 C ATOM 1000 SG CYS A 68 82.587 7.954 1.481 1.00 1.00 S ATOM 0 H CYS A 68 83.236 6.674 3.167 1.00 1.00 H new ATOM 0 HA CYS A 68 84.539 9.173 3.694 1.00 1.00 H new ATOM 0 HB2 CYS A 68 81.547 8.976 3.403 1.00 1.00 H new ATOM 0 HB3 CYS A 68 82.666 10.077 2.624 1.00 1.00 H new ATOM 1005 N PRO A 69 83.454 10.162 5.805 1.00 1.00 N ATOM 1006 CA PRO A 69 83.096 10.606 7.189 1.00 1.00 C ATOM 1007 C PRO A 69 81.593 10.514 7.483 1.00 1.00 C ATOM 1008 O PRO A 69 81.184 9.967 8.487 1.00 1.00 O ATOM 1009 CB PRO A 69 83.571 12.069 7.254 1.00 1.00 C ATOM 1010 CG PRO A 69 83.791 12.491 5.838 1.00 1.00 C ATOM 1011 CD PRO A 69 84.134 11.225 5.052 1.00 1.00 C ATOM 0 HA PRO A 69 83.563 9.964 7.936 1.00 1.00 H new ATOM 0 HB2 PRO A 69 82.826 12.700 7.739 1.00 1.00 H new ATOM 0 HB3 PRO A 69 84.489 12.156 7.835 1.00 1.00 H new ATOM 0 HG2 PRO A 69 82.899 12.968 5.433 1.00 1.00 H new ATOM 0 HG3 PRO A 69 84.600 13.219 5.772 1.00 1.00 H new ATOM 0 HD2 PRO A 69 83.776 11.281 4.024 1.00 1.00 H new ATOM 0 HD3 PRO A 69 85.210 11.060 5.006 1.00 1.00 H new ATOM 1019 N TRP A 70 80.769 11.054 6.629 1.00 1.00 N ATOM 1020 CA TRP A 70 79.301 11.001 6.882 1.00 1.00 C ATOM 1021 C TRP A 70 78.829 9.541 6.863 1.00 1.00 C ATOM 1022 O TRP A 70 77.683 9.246 7.135 1.00 1.00 O ATOM 1023 CB TRP A 70 78.574 11.843 5.814 1.00 1.00 C ATOM 1024 CG TRP A 70 77.731 10.955 4.956 1.00 1.00 C ATOM 1025 CD1 TRP A 70 76.542 10.424 5.320 1.00 1.00 C ATOM 1026 CD2 TRP A 70 77.990 10.487 3.600 1.00 1.00 C ATOM 1027 NE1 TRP A 70 76.054 9.660 4.277 1.00 1.00 N ATOM 1028 CE2 TRP A 70 76.910 9.666 3.194 1.00 1.00 C ATOM 1029 CE3 TRP A 70 79.045 10.691 2.693 1.00 1.00 C ATOM 1030 CZ2 TRP A 70 76.879 9.070 1.930 1.00 1.00 C ATOM 1031 CZ3 TRP A 70 79.017 10.094 1.424 1.00 1.00 C ATOM 1032 CH2 TRP A 70 77.938 9.285 1.043 1.00 1.00 C ATOM 0 H TRP A 70 81.047 11.528 5.770 1.00 1.00 H new ATOM 0 HA TRP A 70 79.070 11.416 7.863 1.00 1.00 H new ATOM 0 HB2 TRP A 70 77.951 12.597 6.295 1.00 1.00 H new ATOM 0 HB3 TRP A 70 79.301 12.374 5.200 1.00 1.00 H new ATOM 0 HD1 TRP A 70 76.053 10.573 6.271 1.00 1.00 H new ATOM 0 HE1 TRP A 70 75.169 9.153 4.304 1.00 1.00 H new ATOM 0 HE3 TRP A 70 79.883 11.312 2.975 1.00 1.00 H new ATOM 0 HZ2 TRP A 70 76.044 8.449 1.641 1.00 1.00 H new ATOM 0 HZ3 TRP A 70 79.833 10.259 0.736 1.00 1.00 H new ATOM 0 HH2 TRP A 70 77.925 8.828 0.065 1.00 1.00 H new ATOM 1043 N GLU A 71 79.712 8.626 6.557 1.00 1.00 N ATOM 1044 CA GLU A 71 79.325 7.183 6.529 1.00 1.00 C ATOM 1045 C GLU A 71 79.896 6.485 7.770 1.00 1.00 C ATOM 1046 O GLU A 71 79.516 5.381 8.107 1.00 1.00 O ATOM 1047 CB GLU A 71 79.874 6.544 5.235 1.00 1.00 C ATOM 1048 CG GLU A 71 81.040 5.612 5.568 1.00 1.00 C ATOM 1049 CD GLU A 71 80.497 4.279 6.088 1.00 1.00 C ATOM 1050 OE1 GLU A 71 79.286 4.135 6.137 1.00 1.00 O ATOM 1051 OE2 GLU A 71 81.300 3.426 6.428 1.00 1.00 O ATOM 0 H GLU A 71 80.687 8.816 6.325 1.00 1.00 H new ATOM 0 HA GLU A 71 78.240 7.077 6.540 1.00 1.00 H new ATOM 0 HB2 GLU A 71 79.084 5.987 4.731 1.00 1.00 H new ATOM 0 HB3 GLU A 71 80.204 7.322 4.547 1.00 1.00 H new ATOM 0 HG2 GLU A 71 81.651 5.446 4.681 1.00 1.00 H new ATOM 0 HG3 GLU A 71 81.684 6.072 6.318 1.00 1.00 H new ATOM 1058 N ALA A 72 80.813 7.122 8.446 1.00 1.00 N ATOM 1059 CA ALA A 72 81.423 6.500 9.657 1.00 1.00 C ATOM 1060 C ALA A 72 80.376 6.337 10.762 1.00 1.00 C ATOM 1061 O ALA A 72 80.688 6.422 11.933 1.00 1.00 O ATOM 1062 CB ALA A 72 82.558 7.391 10.166 1.00 1.00 C ATOM 0 H ALA A 72 81.167 8.049 8.211 1.00 1.00 H new ATOM 0 HA ALA A 72 81.810 5.517 9.390 1.00 1.00 H new ATOM 0 HB1 ALA A 72 83.006 6.939 11.051 1.00 1.00 H new ATOM 0 HB2 ALA A 72 83.315 7.495 9.389 1.00 1.00 H new ATOM 0 HB3 ALA A 72 82.162 8.374 10.421 1.00 1.00 H new ATOM 1068 N CYS A 73 79.142 6.092 10.413 1.00 1.00 N ATOM 1069 CA CYS A 73 78.105 5.913 11.467 1.00 1.00 C ATOM 1070 C CYS A 73 78.611 4.901 12.496 1.00 1.00 C ATOM 1071 O CYS A 73 78.210 4.911 13.643 1.00 1.00 O ATOM 1072 CB CYS A 73 76.812 5.395 10.832 1.00 1.00 C ATOM 1073 SG CYS A 73 76.032 6.723 9.881 1.00 1.00 S ATOM 0 H CYS A 73 78.810 6.009 9.452 1.00 1.00 H new ATOM 0 HA CYS A 73 77.907 6.867 11.955 1.00 1.00 H new ATOM 0 HB2 CYS A 73 77.028 4.547 10.183 1.00 1.00 H new ATOM 0 HB3 CYS A 73 76.132 5.039 11.606 1.00 1.00 H new ATOM 1078 N ASN A 74 79.495 4.034 12.084 1.00 1.00 N ATOM 1079 CA ASN A 74 80.052 3.010 13.014 1.00 1.00 C ATOM 1080 C ASN A 74 81.040 2.136 12.242 1.00 1.00 C ATOM 1081 O ASN A 74 80.956 2.020 11.035 1.00 1.00 O ATOM 1082 CB ASN A 74 78.920 2.131 13.552 1.00 1.00 C ATOM 1083 CG ASN A 74 78.083 1.606 12.384 1.00 1.00 C ATOM 1084 OD1 ASN A 74 78.616 1.237 11.357 1.00 1.00 O ATOM 1085 ND2 ASN A 74 76.784 1.557 12.498 1.00 1.00 N ATOM 0 H ASN A 74 79.859 3.991 11.132 1.00 1.00 H new ATOM 0 HA ASN A 74 80.552 3.503 13.848 1.00 1.00 H new ATOM 0 HB2 ASN A 74 79.332 1.298 14.122 1.00 1.00 H new ATOM 0 HB3 ASN A 74 78.293 2.705 14.234 1.00 1.00 H new ATOM 0 HD21 ASN A 74 76.217 1.209 11.725 1.00 1.00 H new ATOM 0 HD22 ASN A 74 76.336 1.867 13.360 1.00 1.00 H new ATOM 1092 N HIS A 75 81.971 1.510 12.913 1.00 1.00 N ATOM 1093 CA HIS A 75 82.940 0.643 12.182 1.00 1.00 C ATOM 1094 C HIS A 75 82.150 -0.251 11.224 1.00 1.00 C ATOM 1095 O HIS A 75 82.433 -0.315 10.045 1.00 1.00 O ATOM 1096 CB HIS A 75 83.728 -0.219 13.179 1.00 1.00 C ATOM 1097 CG HIS A 75 85.108 -0.477 12.639 1.00 1.00 C ATOM 1098 ND1 HIS A 75 85.365 -0.562 11.278 1.00 1.00 N ATOM 1099 CD2 HIS A 75 86.316 -0.672 13.263 1.00 1.00 C ATOM 1100 CE1 HIS A 75 86.680 -0.798 11.127 1.00 1.00 C ATOM 1101 NE2 HIS A 75 87.304 -0.874 12.304 1.00 1.00 N ATOM 0 H HIS A 75 82.102 1.560 13.923 1.00 1.00 H new ATOM 0 HA HIS A 75 83.649 1.256 11.625 1.00 1.00 H new ATOM 0 HB2 HIS A 75 83.792 0.287 14.142 1.00 1.00 H new ATOM 0 HB3 HIS A 75 83.210 -1.163 13.348 1.00 1.00 H new ATOM 0 HD2 HIS A 75 86.474 -0.669 14.331 1.00 1.00 H new ATOM 0 HE1 HIS A 75 87.170 -0.912 10.172 1.00 1.00 H new ATOM 0 HE2 HIS A 75 88.296 -1.044 12.467 1.00 1.00 H new ATOM 1110 N CYS A 76 81.144 -0.919 11.726 1.00 1.00 N ATOM 1111 CA CYS A 76 80.306 -1.791 10.854 1.00 1.00 C ATOM 1112 C CYS A 76 79.162 -2.384 11.682 1.00 1.00 C ATOM 1113 O CYS A 76 79.344 -3.325 12.428 1.00 1.00 O ATOM 1114 CB CYS A 76 81.160 -2.923 10.272 1.00 1.00 C ATOM 1115 SG CYS A 76 81.834 -2.410 8.672 1.00 1.00 S ATOM 0 H CYS A 76 80.867 -0.897 12.707 1.00 1.00 H new ATOM 0 HA CYS A 76 79.898 -1.198 10.036 1.00 1.00 H new ATOM 0 HB2 CYS A 76 81.971 -3.171 10.957 1.00 1.00 H new ATOM 0 HB3 CYS A 76 80.557 -3.823 10.153 1.00 1.00 H new ATOM 1120 N GLU A 77 77.984 -1.835 11.554 1.00 1.00 N ATOM 1121 CA GLU A 77 76.824 -2.359 12.331 1.00 1.00 C ATOM 1122 C GLU A 77 76.707 -3.872 12.122 1.00 1.00 C ATOM 1123 O GLU A 77 77.221 -4.417 11.166 1.00 1.00 O ATOM 1124 CB GLU A 77 75.538 -1.669 11.860 1.00 1.00 C ATOM 1125 CG GLU A 77 75.585 -1.476 10.343 1.00 1.00 C ATOM 1126 CD GLU A 77 75.776 -2.832 9.661 1.00 1.00 C ATOM 1127 OE1 GLU A 77 74.844 -3.619 9.679 1.00 1.00 O ATOM 1128 OE2 GLU A 77 76.852 -3.060 9.133 1.00 1.00 O ATOM 0 H GLU A 77 77.775 -1.045 10.944 1.00 1.00 H new ATOM 0 HA GLU A 77 76.975 -2.154 13.391 1.00 1.00 H new ATOM 0 HB2 GLU A 77 74.670 -2.269 12.134 1.00 1.00 H new ATOM 0 HB3 GLU A 77 75.428 -0.705 12.356 1.00 1.00 H new ATOM 0 HG2 GLU A 77 74.663 -1.010 9.996 1.00 1.00 H new ATOM 0 HG3 GLU A 77 76.401 -0.805 10.076 1.00 1.00 H new ATOM 1135 N LEU A 78 76.035 -4.553 13.013 1.00 1.00 N ATOM 1136 CA LEU A 78 75.884 -6.030 12.875 1.00 1.00 C ATOM 1137 C LEU A 78 77.238 -6.645 12.494 1.00 1.00 C ATOM 1138 O LEU A 78 78.238 -6.402 13.141 1.00 1.00 O ATOM 1139 CB LEU A 78 74.834 -6.340 11.798 1.00 1.00 C ATOM 1140 CG LEU A 78 73.435 -6.249 12.411 1.00 1.00 C ATOM 1141 CD1 LEU A 78 73.143 -4.800 12.804 1.00 1.00 C ATOM 1142 CD2 LEU A 78 72.400 -6.716 11.386 1.00 1.00 C ATOM 0 H LEU A 78 75.583 -4.148 13.833 1.00 1.00 H new ATOM 0 HA LEU A 78 75.553 -6.458 13.821 1.00 1.00 H new ATOM 0 HB2 LEU A 78 74.927 -5.636 10.971 1.00 1.00 H new ATOM 0 HB3 LEU A 78 75.000 -7.337 11.389 1.00 1.00 H new ATOM 0 HG LEU A 78 73.384 -6.883 13.296 1.00 1.00 H new ATOM 0 HD11 LEU A 78 72.146 -4.735 13.241 1.00 1.00 H new ATOM 0 HD12 LEU A 78 73.881 -4.465 13.533 1.00 1.00 H new ATOM 0 HD13 LEU A 78 73.193 -4.166 11.919 1.00 1.00 H new ATOM 0 HD21 LEU A 78 71.403 -6.652 11.821 1.00 1.00 H new ATOM 0 HD22 LEU A 78 72.452 -6.081 10.502 1.00 1.00 H new ATOM 0 HD23 LEU A 78 72.607 -7.748 11.104 1.00 1.00 H new ATOM 1154 N HIS A 79 77.285 -7.438 11.457 1.00 1.00 N ATOM 1155 CA HIS A 79 78.579 -8.057 11.058 1.00 1.00 C ATOM 1156 C HIS A 79 78.418 -8.752 9.701 1.00 1.00 C ATOM 1157 O HIS A 79 78.015 -8.144 8.729 1.00 1.00 O ATOM 1158 CB HIS A 79 79.002 -9.077 12.122 1.00 1.00 C ATOM 1159 CG HIS A 79 80.474 -9.356 11.994 1.00 1.00 C ATOM 1160 ND1 HIS A 79 81.286 -8.654 11.114 1.00 1.00 N ATOM 1161 CD2 HIS A 79 81.297 -10.257 12.626 1.00 1.00 C ATOM 1162 CE1 HIS A 79 82.535 -9.137 11.239 1.00 1.00 C ATOM 1163 NE2 HIS A 79 82.595 -10.114 12.146 1.00 1.00 N ATOM 0 H HIS A 79 76.486 -7.682 10.872 1.00 1.00 H new ATOM 0 HA HIS A 79 79.345 -7.286 10.974 1.00 1.00 H new ATOM 0 HB2 HIS A 79 78.779 -8.693 13.118 1.00 1.00 H new ATOM 0 HB3 HIS A 79 78.435 -10.000 12.002 1.00 1.00 H new ATOM 0 HD2 HIS A 79 80.985 -10.966 13.378 1.00 1.00 H new ATOM 0 HE1 HIS A 79 83.384 -8.779 10.675 1.00 1.00 H new ATOM 0 HE2 HIS A 79 83.419 -10.644 12.428 1.00 1.00 H new ATOM 1172 N GLU A 80 78.735 -10.017 9.621 1.00 1.00 N ATOM 1173 CA GLU A 80 78.605 -10.737 8.320 1.00 1.00 C ATOM 1174 C GLU A 80 77.173 -11.251 8.144 1.00 1.00 C ATOM 1175 O GLU A 80 76.854 -11.893 7.163 1.00 1.00 O ATOM 1176 CB GLU A 80 79.578 -11.920 8.285 1.00 1.00 C ATOM 1177 CG GLU A 80 79.321 -12.831 9.487 1.00 1.00 C ATOM 1178 CD GLU A 80 80.527 -13.748 9.701 1.00 1.00 C ATOM 1179 OE1 GLU A 80 81.499 -13.289 10.277 1.00 1.00 O ATOM 1180 OE2 GLU A 80 80.456 -14.892 9.285 1.00 1.00 O ATOM 0 H GLU A 80 79.078 -10.582 10.398 1.00 1.00 H new ATOM 0 HA GLU A 80 78.840 -10.047 7.510 1.00 1.00 H new ATOM 0 HB2 GLU A 80 79.453 -12.480 7.358 1.00 1.00 H new ATOM 0 HB3 GLU A 80 80.606 -11.559 8.303 1.00 1.00 H new ATOM 0 HG2 GLU A 80 79.144 -12.231 10.380 1.00 1.00 H new ATOM 0 HG3 GLU A 80 78.423 -13.426 9.320 1.00 1.00 H new ATOM 1187 N LEU A 81 76.303 -10.970 9.076 1.00 1.00 N ATOM 1188 CA LEU A 81 74.894 -11.442 8.940 1.00 1.00 C ATOM 1189 C LEU A 81 74.083 -10.367 8.222 1.00 1.00 C ATOM 1190 O LEU A 81 73.041 -10.630 7.656 1.00 1.00 O ATOM 1191 CB LEU A 81 74.287 -11.697 10.325 1.00 1.00 C ATOM 1192 CG LEU A 81 74.629 -10.536 11.261 1.00 1.00 C ATOM 1193 CD1 LEU A 81 73.428 -10.234 12.160 1.00 1.00 C ATOM 1194 CD2 LEU A 81 75.830 -10.919 12.129 1.00 1.00 C ATOM 0 H LEU A 81 76.505 -10.437 9.922 1.00 1.00 H new ATOM 0 HA LEU A 81 74.876 -12.371 8.370 1.00 1.00 H new ATOM 0 HB2 LEU A 81 73.205 -11.805 10.244 1.00 1.00 H new ATOM 0 HB3 LEU A 81 74.671 -12.632 10.734 1.00 1.00 H new ATOM 0 HG LEU A 81 74.872 -9.653 10.670 1.00 1.00 H new ATOM 0 HD11 LEU A 81 73.672 -9.407 12.827 1.00 1.00 H new ATOM 0 HD12 LEU A 81 72.571 -9.963 11.543 1.00 1.00 H new ATOM 0 HD13 LEU A 81 73.185 -11.117 12.751 1.00 1.00 H new ATOM 0 HD21 LEU A 81 76.075 -10.093 12.796 1.00 1.00 H new ATOM 0 HD22 LEU A 81 75.585 -11.802 12.719 1.00 1.00 H new ATOM 0 HD23 LEU A 81 76.686 -11.135 11.490 1.00 1.00 H new ATOM 1206 N ALA A 82 74.561 -9.155 8.242 1.00 1.00 N ATOM 1207 CA ALA A 82 73.830 -8.053 7.563 1.00 1.00 C ATOM 1208 C ALA A 82 73.708 -8.367 6.071 1.00 1.00 C ATOM 1209 O ALA A 82 72.919 -7.776 5.364 1.00 1.00 O ATOM 1210 CB ALA A 82 74.603 -6.745 7.763 1.00 1.00 C ATOM 0 H ALA A 82 75.429 -8.880 8.701 1.00 1.00 H new ATOM 0 HA ALA A 82 72.831 -7.952 7.986 1.00 1.00 H new ATOM 0 HB1 ALA A 82 74.074 -5.930 7.268 1.00 1.00 H new ATOM 0 HB2 ALA A 82 74.685 -6.530 8.828 1.00 1.00 H new ATOM 0 HB3 ALA A 82 75.601 -6.843 7.335 1.00 1.00 H new ATOM 1216 N GLN A 83 74.486 -9.299 5.589 1.00 1.00 N ATOM 1217 CA GLN A 83 74.421 -9.661 4.142 1.00 1.00 C ATOM 1218 C GLN A 83 72.962 -9.751 3.691 1.00 1.00 C ATOM 1219 O GLN A 83 72.657 -9.646 2.519 1.00 1.00 O ATOM 1220 CB GLN A 83 75.086 -11.020 3.928 1.00 1.00 C ATOM 1221 CG GLN A 83 74.960 -11.428 2.459 1.00 1.00 C ATOM 1222 CD GLN A 83 75.969 -12.535 2.147 1.00 1.00 C ATOM 1223 OE1 GLN A 83 76.429 -12.655 1.029 1.00 1.00 O ATOM 1224 NE2 GLN A 83 76.334 -13.354 3.095 1.00 1.00 N ATOM 0 H GLN A 83 75.166 -9.827 6.136 1.00 1.00 H new ATOM 0 HA GLN A 83 74.936 -8.895 3.562 1.00 1.00 H new ATOM 0 HB2 GLN A 83 76.137 -10.971 4.213 1.00 1.00 H new ATOM 0 HB3 GLN A 83 74.617 -11.770 4.566 1.00 1.00 H new ATOM 0 HG2 GLN A 83 73.948 -11.776 2.253 1.00 1.00 H new ATOM 0 HG3 GLN A 83 75.139 -10.567 1.815 1.00 1.00 H new ATOM 0 HE21 GLN A 83 75.947 -13.253 4.033 1.00 1.00 H new ATOM 0 HE22 GLN A 83 77.006 -14.096 2.898 1.00 1.00 H new ATOM 1233 N TYR A 84 72.062 -9.955 4.612 1.00 1.00 N ATOM 1234 CA TYR A 84 70.625 -10.066 4.243 1.00 1.00 C ATOM 1235 C TYR A 84 70.111 -8.700 3.765 1.00 1.00 C ATOM 1236 O TYR A 84 70.836 -7.932 3.163 1.00 1.00 O ATOM 1237 CB TYR A 84 69.833 -10.546 5.471 1.00 1.00 C ATOM 1238 CG TYR A 84 69.745 -12.053 5.455 1.00 1.00 C ATOM 1239 CD1 TYR A 84 70.737 -12.820 6.077 1.00 1.00 C ATOM 1240 CD2 TYR A 84 68.670 -12.685 4.817 1.00 1.00 C ATOM 1241 CE1 TYR A 84 70.655 -14.217 6.061 1.00 1.00 C ATOM 1242 CE2 TYR A 84 68.588 -14.082 4.802 1.00 1.00 C ATOM 1243 CZ TYR A 84 69.581 -14.848 5.424 1.00 1.00 C ATOM 1244 OH TYR A 84 69.500 -16.226 5.409 1.00 1.00 O ATOM 0 H TYR A 84 72.262 -10.050 5.608 1.00 1.00 H new ATOM 0 HA TYR A 84 70.497 -10.784 3.433 1.00 1.00 H new ATOM 0 HB2 TYR A 84 70.320 -10.209 6.386 1.00 1.00 H new ATOM 0 HB3 TYR A 84 68.833 -10.112 5.464 1.00 1.00 H new ATOM 0 HD1 TYR A 84 71.566 -12.334 6.569 1.00 1.00 H new ATOM 0 HD2 TYR A 84 67.904 -12.094 4.337 1.00 1.00 H new ATOM 0 HE1 TYR A 84 71.421 -14.808 6.541 1.00 1.00 H new ATOM 0 HE2 TYR A 84 67.759 -14.569 4.311 1.00 1.00 H new ATOM 0 HH TYR A 84 68.693 -16.501 4.927 1.00 1.00 H new ATOM 1254 N GLY A 85 68.867 -8.396 4.012 1.00 1.00 N ATOM 1255 CA GLY A 85 68.311 -7.091 3.556 1.00 1.00 C ATOM 1256 C GLY A 85 69.208 -5.935 4.008 1.00 1.00 C ATOM 1257 O GLY A 85 69.705 -5.178 3.200 1.00 1.00 O ATOM 0 H GLY A 85 68.210 -8.996 4.511 1.00 1.00 H new ATOM 0 HA2 GLY A 85 68.223 -7.087 2.470 1.00 1.00 H new ATOM 0 HA3 GLY A 85 67.307 -6.957 3.958 1.00 1.00 H new ATOM 1261 N ILE A 86 69.405 -5.778 5.288 1.00 1.00 N ATOM 1262 CA ILE A 86 70.259 -4.652 5.770 1.00 1.00 C ATOM 1263 C ILE A 86 71.711 -4.871 5.327 1.00 1.00 C ATOM 1264 O ILE A 86 72.623 -4.898 6.127 1.00 1.00 O ATOM 1265 CB ILE A 86 70.182 -4.527 7.300 1.00 1.00 C ATOM 1266 CG1 ILE A 86 70.564 -5.864 7.939 1.00 1.00 C ATOM 1267 CG2 ILE A 86 68.756 -4.156 7.712 1.00 1.00 C ATOM 1268 CD1 ILE A 86 69.483 -6.903 7.637 1.00 1.00 C ATOM 0 H ILE A 86 69.016 -6.375 6.018 1.00 1.00 H new ATOM 0 HA ILE A 86 69.890 -3.724 5.333 1.00 1.00 H new ATOM 0 HB ILE A 86 70.870 -3.751 7.636 1.00 1.00 H new ATOM 0 HG12 ILE A 86 71.526 -6.202 7.553 1.00 1.00 H new ATOM 0 HG13 ILE A 86 70.677 -5.745 9.016 1.00 1.00 H new ATOM 0 HG21 ILE A 86 68.702 -4.068 8.797 1.00 1.00 H new ATOM 0 HG22 ILE A 86 68.481 -3.205 7.256 1.00 1.00 H new ATOM 0 HG23 ILE A 86 68.067 -4.931 7.377 1.00 1.00 H new ATOM 0 HD11 ILE A 86 69.756 -7.855 8.092 1.00 1.00 H new ATOM 0 HD12 ILE A 86 68.530 -6.566 8.045 1.00 1.00 H new ATOM 0 HD13 ILE A 86 69.392 -7.030 6.558 1.00 1.00 H new ATOM 1280 N CYS A 87 71.927 -5.015 4.046 1.00 1.00 N ATOM 1281 CA CYS A 87 73.310 -5.224 3.527 1.00 1.00 C ATOM 1282 C CYS A 87 74.218 -4.095 4.020 1.00 1.00 C ATOM 1283 CB CYS A 87 73.284 -5.226 1.996 1.00 1.00 C ATOM 1284 SG CYS A 87 74.977 -5.325 1.364 1.00 1.00 S ATOM 0 H CYS A 87 71.199 -4.997 3.332 1.00 1.00 H new ATOM 0 HA CYS A 87 73.692 -6.179 3.887 1.00 1.00 H new ATOM 0 HB2 CYS A 87 72.699 -6.071 1.633 1.00 1.00 H new ATOM 0 HB3 CYS A 87 72.800 -4.321 1.629 1.00 1.00 H new TER 1289 CYS A 87 HETATM 1290 C1C RCY A 110 60.238 9.363 4.543 1.00 1.00 C HETATM 1291 O1G RCY A 110 59.493 13.130 5.309 1.00 1.00 O HETATM 1292 O1H RCY A 110 58.766 9.460 8.191 1.00 1.00 O HETATM 1293 O1J RCY A 110 59.367 7.116 6.349 1.00 1.00 O HETATM 1294 C1L RCY A 110 60.132 12.668 7.626 1.00 1.00 C HETATM 1295 C1M RCY A 110 56.721 9.792 5.612 1.00 1.00 C HETATM 1296 C1P RCY A 110 59.450 12.379 6.282 1.00 1.00 C HETATM 1297 C1Q RCY A 110 58.886 10.603 7.751 1.00 1.00 C HETATM 1298 N1R RCY A 110 58.711 11.042 6.303 1.00 1.00 N HETATM 1299 C1S RCY A 110 59.238 11.840 8.556 1.00 1.00 C HETATM 1300 C1U RCY A 110 57.979 10.321 5.168 1.00 1.00 C HETATM 1301 C1V RCY A 110 58.147 8.566 3.351 1.00 1.00 C HETATM 1302 N1V RCY A 110 58.461 8.118 5.795 1.00 1.00 N HETATM 1303 C1W RCY A 110 57.027 8.420 6.225 1.00 1.00 C HETATM 1304 C1X RCY A 110 58.736 9.095 4.660 1.00 1.00 C HETATM 1305 C1Y RCY A 110 56.069 7.359 5.676 1.00 1.00 C HETATM 1306 C1Z RCY A 110 56.962 8.467 7.752 1.00 1.00 C HETATM 0 H1ZB RCY A 110 57.693 9.184 8.125 1.00 1.00 H new HETATM 0 H1ZA RCY A 110 55.963 8.771 8.064 1.00 1.00 H new HETATM 0 H1YB RCY A 110 55.043 7.634 5.920 1.00 1.00 H new HETATM 0 H1YA RCY A 110 56.179 7.294 4.594 1.00 1.00 H new HETATM 0 H1VA RCY A 110 58.640 7.632 3.081 1.00 1.00 H new HETATM 0 H1MA RCY A 110 56.258 10.452 6.346 1.00 1.00 H new HETATM 0 H1LA RCY A 110 61.172 12.341 7.646 1.00 1.00 H new HETATM 0 H1Z RCY A 110 57.184 7.479 8.156 1.00 1.00 H new HETATM 0 H1Y RCY A 110 56.302 6.392 6.123 1.00 1.00 H new HETATM 0 H1V RCY A 110 57.079 8.389 3.478 1.00 1.00 H new HETATM 0 H1S RCY A 110 58.344 12.394 8.842 1.00 1.00 H new HETATM 0 H1M RCY A 110 56.022 9.700 4.781 1.00 1.00 H new HETATM 0 H1L RCY A 110 60.127 13.729 7.877 1.00 1.00 H new HETATM 0 H1C RCY A 110 60.740 8.467 4.179 1.00 1.00 H new HETATM 1309 C1C RCY A 121 62.652 11.310 0.845 1.00 1.00 C HETATM 1310 O1G RCY A 121 64.449 6.191 0.509 1.00 1.00 O HETATM 1311 O1H RCY A 121 61.498 9.539 -1.032 1.00 1.00 O HETATM 1312 O1J RCY A 121 64.300 12.138 3.225 1.00 1.00 O HETATM 1313 C1L RCY A 121 63.084 6.421 -1.508 1.00 1.00 C HETATM 1314 C1M RCY A 121 64.418 8.413 2.323 1.00 1.00 C HETATM 1315 C1P RCY A 121 63.626 6.838 -0.135 1.00 1.00 C HETATM 1316 C1Q RCY A 121 62.003 8.449 -0.769 1.00 1.00 C HETATM 1317 N1R RCY A 121 63.015 8.158 0.332 1.00 1.00 N HETATM 1318 C1S RCY A 121 61.731 7.139 -1.486 1.00 1.00 C HETATM 1319 C1U RCY A 121 63.331 8.984 1.581 1.00 1.00 C HETATM 1320 C1V RCY A 121 64.926 10.389 0.205 1.00 1.00 C HETATM 1321 N1V RCY A 121 64.363 10.817 2.607 1.00 1.00 N HETATM 1322 C1W RCY A 121 64.997 9.549 3.176 1.00 1.00 C HETATM 1323 C1X RCY A 121 63.811 10.397 1.252 1.00 1.00 C HETATM 1324 C1Y RCY A 121 66.521 9.604 3.037 1.00 1.00 C HETATM 1325 C1Z RCY A 121 64.594 9.403 4.643 1.00 1.00 C HETATM 0 H1ZB RCY A 121 63.507 9.427 4.726 1.00 1.00 H new HETATM 0 H1ZA RCY A 121 64.967 8.455 5.030 1.00 1.00 H new HETATM 0 H1YB RCY A 121 66.951 8.659 3.369 1.00 1.00 H new HETATM 0 H1YA RCY A 121 66.785 9.776 1.994 1.00 1.00 H new HETATM 0 H1VB RCY A 121 64.530 10.033 -0.746 1.00 1.00 H new HETATM 0 H1VA RCY A 121 65.315 11.399 0.081 1.00 1.00 H new HETATM 0 H1MA RCY A 121 64.072 7.592 2.951 1.00 1.00 H new HETATM 0 H1LA RCY A 121 63.721 6.756 -2.327 1.00 1.00 H new HETATM 0 H1CB RCY A 121 62.160 10.902 -0.038 1.00 1.00 H new HETATM 0 H1CA RCY A 121 61.935 11.374 1.663 1.00 1.00 H new HETATM 0 H1Z RCY A 121 65.020 10.223 5.221 1.00 1.00 H new HETATM 0 H1Y RCY A 121 66.913 10.416 3.649 1.00 1.00 H new HETATM 0 H1V RCY A 121 65.729 9.729 0.533 1.00 1.00 H new HETATM 0 H1U RCY A 121 62.394 8.998 2.138 1.00 1.00 H new HETATM 0 H1S RCY A 121 60.978 6.550 -0.963 1.00 1.00 H new HETATM 0 H1M RCY A 121 65.175 8.005 1.653 1.00 1.00 H new HETATM 0 H1L RCY A 121 62.981 5.340 -1.605 1.00 1.00 H new HETATM 0 H1C RCY A 121 63.035 12.305 0.619 1.00 1.00 H new HETATM 1328 C1C RCY A 130 74.800 -3.641 -7.673 1.00 1.00 C HETATM 1329 O1G RCY A 130 70.674 -1.576 -5.199 1.00 1.00 O HETATM 1330 O1H RCY A 130 72.791 -4.366 -8.367 1.00 1.00 O HETATM 1331 O1J RCY A 130 75.235 -0.686 -8.062 1.00 1.00 O HETATM 1332 C1L RCY A 130 69.932 -2.590 -7.298 1.00 1.00 C HETATM 1333 C1M RCY A 130 73.609 -1.717 -4.745 1.00 1.00 C HETATM 1334 C1P RCY A 130 70.938 -2.255 -6.190 1.00 1.00 C HETATM 1335 C1Q RCY A 130 72.106 -3.486 -7.849 1.00 1.00 C HETATM 1336 N1R RCY A 130 72.309 -2.868 -6.471 1.00 1.00 N HETATM 1337 C1S RCY A 130 70.896 -2.812 -8.469 1.00 1.00 C HETATM 1338 C1U RCY A 130 73.567 -2.867 -5.601 1.00 1.00 C HETATM 1339 C1V RCY A 130 76.092 -3.059 -5.570 1.00 1.00 C HETATM 1340 N1V RCY A 130 74.815 -1.292 -6.802 1.00 1.00 N HETATM 1341 C1W RCY A 130 74.238 -0.590 -5.574 1.00 1.00 C HETATM 1342 C1X RCY A 130 74.854 -2.765 -6.419 1.00 1.00 C HETATM 1343 C1Y RCY A 130 75.350 0.105 -4.783 1.00 1.00 C HETATM 1344 C1Z RCY A 130 73.185 0.422 -6.025 1.00 1.00 C HETATM 0 H1ZB RCY A 130 72.435 -0.081 -6.636 1.00 1.00 H new HETATM 0 H1ZA RCY A 130 72.705 0.862 -5.151 1.00 1.00 H new HETATM 0 H1YB RCY A 130 74.936 0.529 -3.868 1.00 1.00 H new HETATM 0 H1YA RCY A 130 76.123 -0.620 -4.529 1.00 1.00 H new HETATM 0 H1VB RCY A 130 76.079 -4.103 -5.256 1.00 1.00 H new HETATM 0 H1VA RCY A 130 76.990 -2.868 -6.158 1.00 1.00 H new HETATM 0 H1MA RCY A 130 72.608 -1.443 -4.412 1.00 1.00 H new HETATM 0 H1LA RCY A 130 69.340 -3.477 -7.070 1.00 1.00 H new HETATM 0 H1CB RCY A 130 74.660 -4.682 -7.384 1.00 1.00 H new HETATM 0 H1CA RCY A 130 73.968 -3.324 -8.302 1.00 1.00 H new HETATM 0 H1Z RCY A 130 73.663 1.208 -6.610 1.00 1.00 H new HETATM 0 H1Y RCY A 130 75.784 0.901 -5.388 1.00 1.00 H new HETATM 0 H1V RCY A 130 76.091 -2.416 -4.690 1.00 1.00 H new HETATM 0 H1U RCY A 130 73.514 -3.807 -5.052 1.00 1.00 H new HETATM 0 H1S RCY A 130 71.168 -1.869 -8.943 1.00 1.00 H new HETATM 0 H1M RCY A 130 74.199 -1.918 -3.851 1.00 1.00 H new HETATM 0 H1L RCY A 130 69.230 -1.777 -7.484 1.00 1.00 H new HETATM 0 H1C RCY A 130 75.733 -3.541 -8.227 1.00 1.00 H new HETATM 1347 C1C RCY A 138 84.841 -3.942 -1.814 1.00 1.00 C HETATM 1348 O1G RCY A 138 82.987 -8.010 -1.669 1.00 1.00 O HETATM 1349 O1H RCY A 138 83.219 -5.110 -5.388 1.00 1.00 O HETATM 1350 O1J RCY A 138 83.450 -2.560 0.471 1.00 1.00 O HETATM 1351 C1L RCY A 138 83.479 -8.363 -4.040 1.00 1.00 C HETATM 1352 C1M RCY A 138 81.366 -5.154 -1.435 1.00 1.00 C HETATM 1353 C1P RCY A 138 83.090 -7.544 -2.802 1.00 1.00 C HETATM 1354 C1Q RCY A 138 82.996 -6.082 -4.669 1.00 1.00 C HETATM 1355 N1R RCY A 138 82.847 -6.077 -3.153 1.00 1.00 N HETATM 1356 C1S RCY A 138 82.817 -7.516 -5.133 1.00 1.00 C HETATM 1357 C1U RCY A 138 82.534 -4.899 -2.228 1.00 1.00 C HETATM 1358 C1V RCY A 138 84.031 -5.931 -0.466 1.00 1.00 C HETATM 1359 N1V RCY A 138 82.901 -3.706 -0.248 1.00 1.00 N HETATM 1360 C1W RCY A 138 81.467 -4.229 -0.216 1.00 1.00 C HETATM 1361 C1X RCY A 138 83.632 -4.647 -1.196 1.00 1.00 C HETATM 1362 C1Y RCY A 138 81.210 -5.011 1.076 1.00 1.00 C HETATM 1363 C1Z RCY A 138 80.501 -3.049 -0.332 1.00 1.00 C HETATM 0 H1YB RCY A 138 80.211 -5.447 1.045 1.00 1.00 H new HETATM 0 H1YA RCY A 138 81.950 -5.806 1.174 1.00 1.00 H new HETATM 0 H1VB RCY A 138 84.503 -6.617 -1.169 1.00 1.00 H new HETATM 0 H1MA RCY A 138 80.458 -4.952 -2.003 1.00 1.00 H new HETATM 0 H1LA RCY A 138 84.559 -8.439 -4.168 1.00 1.00 H new HETATM 0 H1Y RCY A 138 81.286 -4.338 1.930 1.00 1.00 H new HETATM 0 H1V RCY A 138 83.143 -6.400 -0.042 1.00 1.00 H new HETATM 0 H1U RCY A 138 82.416 -4.052 -2.903 1.00 1.00 H new HETATM 0 H1S RCY A 138 81.762 -7.768 -5.245 1.00 1.00 H new HETATM 0 H1M RCY A 138 81.324 -6.199 -1.128 1.00 1.00 H new HETATM 0 H1L RCY A 138 83.089 -9.380 -4.007 1.00 1.00 H new HETATM 1366 C1C RCY A 150 84.769 -0.551 -1.479 1.00 1.00 C HETATM 1367 O1G RCY A 150 83.196 -4.913 1.100 1.00 1.00 O HETATM 1368 O1H RCY A 150 86.412 -3.064 -1.823 1.00 1.00 O HETATM 1369 O1J RCY A 150 82.143 0.919 -1.346 1.00 1.00 O HETATM 1370 C1L RCY A 150 85.532 -5.460 0.617 1.00 1.00 C HETATM 1371 C1M RCY A 150 82.020 -2.812 -0.466 1.00 1.00 C HETATM 1372 C1P RCY A 150 84.215 -4.692 0.446 1.00 1.00 C HETATM 1373 C1Q RCY A 150 85.728 -3.859 -1.180 1.00 1.00 C HETATM 1374 N1R RCY A 150 84.325 -3.620 -0.636 1.00 1.00 N HETATM 1375 C1S RCY A 150 86.131 -5.267 -0.780 1.00 1.00 C HETATM 1376 C1U RCY A 150 83.299 -2.572 -1.071 1.00 1.00 C HETATM 1377 C1V RCY A 150 84.015 -1.117 0.875 1.00 1.00 C HETATM 1378 N1V RCY A 150 82.343 -0.445 -0.864 1.00 1.00 N HETATM 1379 C1W RCY A 150 81.273 -1.473 -0.500 1.00 1.00 C HETATM 1380 C1X RCY A 150 83.663 -1.160 -0.614 1.00 1.00 C HETATM 1381 C1Y RCY A 150 80.671 -1.156 0.872 1.00 1.00 C HETATM 1382 C1Z RCY A 150 80.188 -1.469 -1.578 1.00 1.00 C HETATM 0 H1ZB RCY A 150 80.644 -1.636 -2.554 1.00 1.00 H new HETATM 0 H1ZA RCY A 150 79.469 -2.262 -1.373 1.00 1.00 H new HETATM 0 H1YB RCY A 150 79.971 -1.943 1.153 1.00 1.00 H new HETATM 0 H1YA RCY A 150 81.467 -1.097 1.614 1.00 1.00 H new HETATM 0 H1VB RCY A 150 84.933 -1.679 1.048 1.00 1.00 H new HETATM 0 H1VA RCY A 150 84.160 -0.082 1.185 1.00 1.00 H new HETATM 0 H1LA RCY A 150 86.161 -5.041 1.402 1.00 1.00 H new HETATM 0 H1CB RCY A 150 85.663 -1.172 -1.417 1.00 1.00 H new HETATM 0 H1CA RCY A 150 84.434 -0.500 -2.515 1.00 1.00 H new HETATM 0 H1Y RCY A 150 80.145 -0.202 0.827 1.00 1.00 H new HETATM 0 H1U RCY A 150 83.280 -2.650 -2.158 1.00 1.00 H new HETATM 0 H1S RCY A 150 85.743 -6.005 -1.483 1.00 1.00 H new HETATM 0 H1L RCY A 150 85.374 -6.510 0.862 1.00 1.00 H new HETATM 0 H1C RCY A 150 84.999 0.453 -1.122 1.00 1.00 H new HETATM 1385 C1C RCY A 160 75.323 8.842 2.020 1.00 1.00 C HETATM 1386 O1G RCY A 160 77.713 6.692 -1.443 1.00 1.00 O HETATM 1387 O1H RCY A 160 74.281 9.936 -1.477 1.00 1.00 O HETATM 1388 O1J RCY A 160 74.639 6.448 3.714 1.00 1.00 O HETATM 1389 C1L RCY A 160 77.321 8.701 -2.783 1.00 1.00 C HETATM 1390 C1M RCY A 160 75.050 5.780 -0.040 1.00 1.00 C HETATM 1391 C1P RCY A 160 76.989 7.647 -1.719 1.00 1.00 C HETATM 1392 C1Q RCY A 160 75.143 9.134 -1.833 1.00 1.00 C HETATM 1393 N1R RCY A 160 75.648 7.932 -1.045 1.00 1.00 N HETATM 1394 C1S RCY A 160 75.905 9.162 -3.146 1.00 1.00 C HETATM 1395 C1U RCY A 160 74.975 7.204 0.121 1.00 1.00 C HETATM 1396 C1V RCY A 160 77.178 7.241 1.368 1.00 1.00 C HETATM 1397 N1V RCY A 160 75.026 6.372 2.308 1.00 1.00 N HETATM 1398 C1W RCY A 160 74.877 5.182 1.362 1.00 1.00 C HETATM 1399 C1X RCY A 160 75.667 7.461 1.458 1.00 1.00 C HETATM 1400 C1Y RCY A 160 75.963 4.138 1.639 1.00 1.00 C HETATM 1401 C1Z RCY A 160 73.486 4.572 1.538 1.00 1.00 C HETATM 0 H1ZB RCY A 160 72.730 5.344 1.395 1.00 1.00 H new HETATM 0 H1ZA RCY A 160 73.340 3.780 0.803 1.00 1.00 H new HETATM 0 H1VB RCY A 160 77.617 7.994 0.714 1.00 1.00 H new HETATM 0 H1MA RCY A 160 74.272 5.423 -0.714 1.00 1.00 H new HETATM 0 H1LA RCY A 160 77.936 9.511 -2.391 1.00 1.00 H new HETATM 0 H1CA RCY A 160 74.246 8.915 2.173 1.00 1.00 H new HETATM 0 H1Z RCY A 160 73.395 4.157 2.542 1.00 1.00 H new HETATM 0 H1U RCY A 160 73.952 7.581 0.119 1.00 1.00 H new HETATM 0 H1S RCY A 160 75.450 8.500 -3.883 1.00 1.00 H new HETATM 0 H1M RCY A 160 76.006 5.487 -0.473 1.00 1.00 H new HETATM 0 H1L RCY A 160 77.854 8.280 -3.635 1.00 1.00 H new HETATM 1404 C1C RCY A 168 76.578 4.280 2.431 1.00 1.00 C HETATM 1405 O1G RCY A 168 78.634 4.746 0.783 1.00 1.00 O HETATM 1406 O1H RCY A 168 80.852 7.523 3.893 1.00 1.00 O HETATM 1407 O1J RCY A 168 74.654 4.920 4.658 1.00 1.00 O HETATM 1408 C1L RCY A 168 80.700 6.054 0.686 1.00 1.00 C HETATM 1409 C1M RCY A 168 77.969 6.847 4.705 1.00 1.00 C HETATM 1410 C1P RCY A 168 79.411 5.528 1.330 1.00 1.00 C HETATM 1411 C1Q RCY A 168 80.378 7.069 2.853 1.00 1.00 C HETATM 1412 N1R RCY A 168 79.212 6.095 2.734 1.00 1.00 N HETATM 1413 C1S RCY A 168 80.851 7.377 1.444 1.00 1.00 C HETATM 1414 C1U RCY A 168 78.127 5.775 3.764 1.00 1.00 C HETATM 1415 C1V RCY A 168 76.406 6.800 2.215 1.00 1.00 C HETATM 1416 N1V RCY A 168 75.873 5.676 4.388 1.00 1.00 N HETATM 1417 C1W RCY A 168 76.562 6.692 5.297 1.00 1.00 C HETATM 1418 C1X RCY A 168 76.741 5.627 3.138 1.00 1.00 C HETATM 1419 C1Y RCY A 168 75.816 8.029 5.268 1.00 1.00 C HETATM 1420 C1Z RCY A 168 76.616 6.135 6.719 1.00 1.00 C HETATM 0 H1ZA RCY A 168 77.186 6.813 7.354 1.00 1.00 H new HETATM 0 H1YB RCY A 168 76.366 8.766 5.853 1.00 1.00 H new HETATM 0 H1YA RCY A 168 75.730 8.375 4.238 1.00 1.00 H new HETATM 0 H1MA RCY A 168 78.728 6.795 5.486 1.00 1.00 H new HETATM 0 H1LA RCY A 168 81.547 5.385 0.841 1.00 1.00 H new HETATM 0 H1Y RCY A 168 74.820 7.899 5.692 1.00 1.00 H new HETATM 0 H1U RCY A 168 78.460 4.846 4.226 1.00 1.00 H new HETATM 0 H1S RCY A 168 80.252 8.165 0.988 1.00 1.00 H new HETATM 0 H1M RCY A 168 78.081 7.814 4.216 1.00 1.00 H new HETATM 0 H1L RCY A 168 80.600 6.198 -0.390 1.00 1.00 H new HETATM 1423 C1C RCY A 173 75.456 5.452 3.123 1.00 1.00 C HETATM 1424 O1G RCY A 173 73.348 5.753 5.608 1.00 1.00 O HETATM 1425 O1H RCY A 173 77.450 5.042 7.838 1.00 1.00 O HETATM 1426 O1J RCY A 173 75.736 2.840 1.651 1.00 1.00 O HETATM 1427 C1L RCY A 173 74.280 6.593 7.709 1.00 1.00 C HETATM 1428 C1M RCY A 173 75.849 2.625 5.478 1.00 1.00 C HETATM 1429 C1P RCY A 173 74.267 5.753 6.426 1.00 1.00 C HETATM 1430 C1Q RCY A 173 76.254 5.206 7.602 1.00 1.00 C HETATM 1431 N1R RCY A 173 75.537 4.915 6.290 1.00 1.00 N HETATM 1432 C1S RCY A 173 75.215 5.739 8.572 1.00 1.00 C HETATM 1433 C1U RCY A 173 75.984 4.013 5.137 1.00 1.00 C HETATM 1434 C1V RCY A 173 73.626 4.081 4.217 1.00 1.00 C HETATM 1435 N1V RCY A 173 75.559 2.950 3.096 1.00 1.00 N HETATM 1436 C1W RCY A 173 75.775 1.864 4.148 1.00 1.00 C HETATM 1437 C1X RCY A 173 75.118 4.172 3.889 1.00 1.00 C HETATM 1438 C1Y RCY A 173 74.600 0.883 4.154 1.00 1.00 C HETATM 1439 C1Z RCY A 173 77.086 1.135 3.853 1.00 1.00 C HETATM 0 H1ZB RCY A 173 77.899 1.858 3.794 1.00 1.00 H new HETATM 0 H1ZA RCY A 173 77.293 0.421 4.650 1.00 1.00 H new HETATM 0 H1YB RCY A 173 74.729 0.166 4.965 1.00 1.00 H new HETATM 0 H1YA RCY A 173 73.669 1.431 4.299 1.00 1.00 H new HETATM 0 H1VA RCY A 173 73.049 4.088 3.292 1.00 1.00 H new HETATM 0 H1MA RCY A 173 76.696 2.286 6.074 1.00 1.00 H new HETATM 0 H1LA RCY A 173 74.666 7.599 7.545 1.00 1.00 H new HETATM 0 H1Z RCY A 173 77.002 0.605 2.904 1.00 1.00 H new HETATM 0 H1Y RCY A 173 74.564 0.353 3.202 1.00 1.00 H new HETATM 0 H1V RCY A 173 73.429 3.157 4.761 1.00 1.00 H new HETATM 0 H1U RCY A 173 77.016 4.309 4.949 1.00 1.00 H new HETATM 0 H1S RCY A 173 74.674 4.927 9.058 1.00 1.00 H new HETATM 0 H1M RCY A 173 74.952 2.456 6.074 1.00 1.00 H new HETATM 0 H1L RCY A 173 73.288 6.700 8.148 1.00 1.00 H new HETATM 1442 C1C RCY A 176 81.794 2.626 5.019 1.00 1.00 C HETATM 1443 O1G RCY A 176 81.167 2.659 8.159 1.00 1.00 O HETATM 1444 O1H RCY A 176 80.419 -1.556 6.166 1.00 1.00 O HETATM 1445 O1J RCY A 176 82.056 0.244 3.196 1.00 1.00 O HETATM 1446 C1L RCY A 176 81.839 0.383 8.753 1.00 1.00 C HETATM 1447 C1M RCY A 176 78.682 0.625 4.978 1.00 1.00 C HETATM 1448 C1P RCY A 176 81.126 1.454 7.917 1.00 1.00 C HETATM 1449 C1Q RCY A 176 80.554 -0.655 6.991 1.00 1.00 C HETATM 1450 N1R RCY A 176 80.360 0.837 6.748 1.00 1.00 N HETATM 1451 C1S RCY A 176 80.947 -0.825 8.448 1.00 1.00 C HETATM 1452 C1U RCY A 176 79.593 1.529 5.619 1.00 1.00 C HETATM 1453 C1V RCY A 176 79.771 2.936 3.522 1.00 1.00 C HETATM 1454 N1V RCY A 176 80.802 0.671 3.808 1.00 1.00 N HETATM 1455 C1W RCY A 176 79.496 -0.115 3.909 1.00 1.00 C HETATM 1456 C1X RCY A 176 80.503 2.001 4.487 1.00 1.00 C HETATM 1457 C1Y RCY A 176 78.759 -0.104 2.567 1.00 1.00 C HETATM 1458 C1Z RCY A 176 79.808 -1.548 4.341 1.00 1.00 C HETATM 0 H1ZB RCY A 176 80.385 -1.532 5.266 1.00 1.00 H new HETATM 0 H1ZA RCY A 176 78.876 -2.090 4.504 1.00 1.00 H new HETATM 0 H1YB RCY A 176 77.793 -0.596 2.678 1.00 1.00 H new HETATM 0 H1YA RCY A 176 78.606 0.926 2.244 1.00 1.00 H new HETATM 0 H1VB RCY A 176 79.514 3.862 4.037 1.00 1.00 H new HETATM 0 H1VA RCY A 176 80.416 3.160 2.673 1.00 1.00 H new HETATM 0 H1MA RCY A 176 78.257 -0.075 5.698 1.00 1.00 H new HETATM 0 H1LA RCY A 176 82.872 0.229 8.440 1.00 1.00 H new HETATM 0 H1CB RCY A 176 81.552 3.486 5.644 1.00 1.00 H new HETATM 0 H1CA RCY A 176 82.338 1.890 5.610 1.00 1.00 H new HETATM 0 H1Z RCY A 176 80.386 -2.045 3.562 1.00 1.00 H new HETATM 0 H1Y RCY A 176 79.352 -0.634 1.822 1.00 1.00 H new HETATM 0 H1V RCY A 176 78.860 2.453 3.168 1.00 1.00 H new HETATM 0 H1U RCY A 176 79.093 2.366 6.106 1.00 1.00 H new HETATM 0 H1S RCY A 176 80.070 -0.843 9.095 1.00 1.00 H new HETATM 0 H1M RCY A 176 77.849 1.165 4.528 1.00 1.00 H new HETATM 0 H1C RCY A 176 82.414 2.949 4.182 1.00 1.00 H new HETATM 1461 C1C RCY A 187 78.347 -4.111 -3.089 1.00 1.00 C HETATM 1462 O1G RCY A 187 75.222 -0.484 -0.340 1.00 1.00 O HETATM 1463 O1H RCY A 187 77.051 -4.818 -0.747 1.00 1.00 O HETATM 1464 O1J RCY A 187 80.312 -2.232 -4.383 1.00 1.00 O HETATM 1465 C1L RCY A 187 74.850 -2.579 0.868 1.00 1.00 C HETATM 1466 C1M RCY A 187 77.792 -0.625 -1.980 1.00 1.00 C HETATM 1467 C1P RCY A 187 75.468 -1.682 -0.212 1.00 1.00 C HETATM 1468 C1Q RCY A 187 76.266 -3.884 -0.587 1.00 1.00 C HETATM 1469 N1R RCY A 187 76.428 -2.462 -1.109 1.00 1.00 N HETATM 1470 C1S RCY A 187 74.952 -3.939 0.169 1.00 1.00 C HETATM 1471 C1U RCY A 187 77.324 -1.956 -2.240 1.00 1.00 C HETATM 1472 C1V RCY A 187 79.325 -2.958 -1.055 1.00 1.00 C HETATM 1473 N1V RCY A 187 79.408 -1.853 -3.301 1.00 1.00 N HETATM 1474 C1W RCY A 187 79.058 -0.443 -2.828 1.00 1.00 C HETATM 1475 C1X RCY A 187 78.606 -2.774 -2.393 1.00 1.00 C HETATM 1476 C1Y RCY A 187 80.194 0.136 -1.981 1.00 1.00 C HETATM 1477 C1Z RCY A 187 78.789 0.441 -4.045 1.00 1.00 C HETATM 0 H1ZB RCY A 187 78.020 -0.018 -4.665 1.00 1.00 H new HETATM 0 H1ZA RCY A 187 78.450 1.423 -3.714 1.00 1.00 H new HETATM 0 H1YB RCY A 187 79.893 1.105 -1.583 1.00 1.00 H new HETATM 0 H1VB RCY A 187 78.714 -3.574 -0.395 1.00 1.00 H new HETATM 0 H1MA RCY A 187 77.035 0.113 -2.247 1.00 1.00 H new HETATM 0 H1LA RCY A 187 75.407 -2.548 1.805 1.00 1.00 H new HETATM 0 H1CB RCY A 187 77.637 -4.695 -2.503 1.00 1.00 H new HETATM 0 H1CA RCY A 187 77.936 -3.931 -4.082 1.00 1.00 H new HETATM 0 H1Z RCY A 187 79.705 0.550 -4.625 1.00 1.00 H new HETATM 0 H1Y RCY A 187 81.083 0.258 -2.599 1.00 1.00 H new HETATM 0 H1U RCY A 187 76.697 -2.023 -3.129 1.00 1.00 H new HETATM 0 H1S RCY A 187 74.112 -4.101 -0.507 1.00 1.00 H new HETATM 0 H1M RCY A 187 78.010 -0.489 -0.921 1.00 1.00 H new HETATM 0 H1L RCY A 187 73.821 -2.305 1.100 1.00 1.00 H new HETATM 0 H1C RCY A 187 79.283 -4.662 -3.178 1.00 1.00 H new