USER MOD reduce.3.24.130724 H: found=0, std=0, add=780, rem=0, adj=18 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 25 LYS HZ1 : A 25 LYS NZ : A 121 RCY C1Y :...(NH2R) USER MOD NoAdj-H: A 25 LYS HZ2 : A 25 LYS NZ : A 121 RCY C1Y :(NH2R) USER MOD NoAdj-H: A 25 LYS HZ3 : A 25 LYS NZ : A 121 RCY C1Y :(NH2R) USER MOD NoAdj-H: A 32 GLNHE21 : A 32 GLN NE2 : A 130 RCY C1Z :(H bumps) USER MOD NoAdj-H: A 32 GLNHE22 : A 32 GLN NE2 : A 130 RCY C1Z :(H bumps) USER MOD NoAdj-H: A 70 TRP H : A 70 TRP N : A 173 RCY C1Y :(H bumps) USER MOD NoAdj-H: A 71 GLU H : A 71 GLU N : A 173 RCY C1U :(H bumps) USER MOD NoAdj-H: A 72 ALA H : A 72 ALA N : A 173 RCY C1C :(H bumps) USER MOD NoAdj-H: A 110 RCYH1SA : A 110 RCY C1S : A 10 CYS SG :(H bumps) USER MOD NoAdj-H: A 121 RCYH1SA : A 121 RCY C1S : A 21 CYS SG :(H bumps) USER MOD NoAdj-H: A 121 RCY H1Z : A 121 RCY C1Z : A 25 LYS NZ :(H bumps) USER MOD NoAdj-H: A 121 RCY H1Y : A 121 RCY C1Y : A 25 LYS NZ :(H bumps) USER MOD NoAdj-H: A 130 RCYH1ZB : A 130 RCY C1Z : A 32 GLN NE2 :(H bumps) USER MOD NoAdj-H: A 130 RCYH1ZA : A 130 RCY C1Z : A 32 GLN NE2 :(H bumps) USER MOD NoAdj-H: A 130 RCYH1SA : A 130 RCY C1S : A 30 CYS SG :(H bumps) USER MOD NoAdj-H: A 130 RCYH1MA : A 130 RCY C1M : A 32 GLN OE1 :(H bumps) USER MOD NoAdj-H: A 138 RCYH1YB : A 138 RCY C1Y : A 42 PRO CA :(H bumps) USER MOD NoAdj-H: A 138 RCYH1YA : A 138 RCY C1Y : A 42 PRO CB :(H bumps) USER MOD NoAdj-H: A 138 RCYH1SA : A 138 RCY C1S : A 38 CYS SG :(H bumps) USER MOD NoAdj-H: A 138 RCY H1Y : A 138 RCY C1Y : A 42 PRO CB :(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 RCYH1CA : A 150 RCY C1C : A 64 ILE CD1 :(H bumps) USER MOD NoAdj-H: A 150 RCY H1C : A 150 RCY C1C : A 64 ILE CD1 :(H bumps) USER MOD NoAdj-H: A 160 RCYH1SA : A 160 RCY C1S : A 60 CYS SG :(H bumps) USER MOD NoAdj-H: A 168 RCYH1SA : A 168 RCY C1S : A 173 RCY C1Z :(H bumps) USER MOD NoAdj-H: A 168 RCYH1CB : A 168 RCY C1C : A 176 RCY C1W :(H bumps) USER MOD NoAdj-H: A 168 RCYH1CA : A 168 RCY C1C : A 176 RCY C1W :(H bumps) USER MOD NoAdj-H: A 168 RCY H1U : A 168 RCY C1U : A 71 GLU CD :(H bumps) USER MOD NoAdj-H: A 168 RCY H1C : A 168 RCY C1C : A 176 RCY C1X :(H bumps) USER MOD NoAdj-H: A 173 RCYH1ZB : A 173 RCY C1Z : A 168 RCY O1H :(H bumps) USER MOD NoAdj-H: A 173 RCYH1ZA : A 173 RCY C1Z : A 168 RCY O1H :(H bumps) USER MOD NoAdj-H: A 173 RCYH1YB : A 173 RCY C1Y : A 70 TRP CB :(H bumps) USER MOD NoAdj-H: A 173 RCYH1YA : A 173 RCY C1Y : A 70 TRP N :(H bumps) USER MOD NoAdj-H: A 173 RCYH1VA : A 173 RCY C1V : A 69 PRO O :(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 RCYH1MA : A 173 RCY C1M : A 71 GLU CB :(H bumps) USER MOD NoAdj-H: A 173 RCYH1CB : A 173 RCY C1C : A 72 ALA N :(H bumps) USER MOD NoAdj-H: A 173 RCY H1Z : A 173 RCY C1Z : A 68 CYS SG :(H bumps) USER MOD NoAdj-H: A 173 RCY H1Y : A 173 RCY C1Y : A 70 TRP N :(H bumps) USER MOD NoAdj-H: A 173 RCY H1V : A 173 RCY C1V : A 71 GLU N :(H bumps) USER MOD NoAdj-H: A 173 RCY H1U : A 173 RCY C1U : A 176 RCY C1Y :(H bumps) USER MOD NoAdj-H: A 173 RCY H1M : A 173 RCY C1M : A 71 GLU N :(H bumps) USER MOD NoAdj-H: A 176 RCYH1ZB : A 176 RCY C1Z : A 168 RCY C1U :(H bumps) USER MOD NoAdj-H: A 176 RCYH1YB : A 176 RCY C1Y : A 173 RCY C1U :(H bumps) USER MOD NoAdj-H: A 176 RCYH1YA : A 176 RCY C1Y : A 173 RCY C1U :(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 H1Z : A 176 RCY C1Z : A 168 RCY C1U :(H bumps) USER MOD NoAdj-H: A 176 RCY H1Y : A 176 RCY C1Y : A 173 RCY C1U :(H bumps) USER MOD NoAdj-H: A 187 RCYH1YB : A 187 RCY C1Y : A 70 TRP CB :(H bumps) USER MOD NoAdj-H: A 187 RCYH1YA : A 187 RCY C1Y : A 70 TRP CB :(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 H1Y : A 187 RCY C1Y : A 70 TRP CB :(H bumps) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -173:sc= -0.872 (180deg=-0.979) USER MOD Single : A 2 ASN : amide:sc= -0.566 X(o=-0.57,f=-0.19) USER MOD Single : A 7 LYS NZ :NH3+ 148:sc=-0.00875 (180deg=-0.729) USER MOD Single : A 12 SER OG : rot 180:sc= -0.0185 USER MOD Single : A 14 THR OG1 : rot 62:sc= 0.147 USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.298 USER MOD Single : A 29 LYS NZ :NH3+ 176:sc= 1.51 (180deg=1.41) USER MOD Single : A 31 LYS NZ :NH3+ 173:sc= -0.631 (180deg=-0.876) USER MOD Single : A 34 GLN : amide:sc= -2.93! C(o=-2.9!,f=-15!) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 LYS NZ :NH3+ -162:sc= -0.0138 (180deg=-0.263) USER MOD Single : A 40 SER OG : rot 180:sc= -0.117 USER MOD Single : A 41 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.285) USER MOD Single : A 44 LYS NZ :NH3+ 143:sc= -0.229 (180deg=-1.14!) USER MOD Single : A 45 LYS NZ :NH3+ 156:sc= -1.35 (180deg=-2.21) USER MOD Single : A 48 GLN :FLIP amide:sc= 0 F(o=-0.75,f=0) USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.476 USER MOD Single : A 74 ASN :FLIP amide:sc= -3.51! C(o=-5.6!,f=-3.5!) USER MOD Single : A 75 HIS : no HD1:sc= -0.195 X(o=-0.2,f=-0.39) USER MOD Single : A 79 HIS : no HD1:sc= -1.08 K(o=-1.1,f=-1.8) USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 61.145 15.659 21.504 1.00 1.00 N ATOM 2 CA MET A 1 60.344 14.510 22.012 1.00 1.00 C ATOM 3 C MET A 1 60.635 13.270 21.164 1.00 1.00 C ATOM 4 O MET A 1 59.855 12.340 21.121 1.00 1.00 O ATOM 5 CB MET A 1 58.854 14.850 21.927 1.00 1.00 C ATOM 6 CG MET A 1 58.629 16.285 22.407 1.00 1.00 C ATOM 7 SD MET A 1 56.853 16.595 22.571 1.00 1.00 S ATOM 8 CE MET A 1 56.890 18.354 22.146 1.00 1.00 C ATOM 0 H1 MET A 1 61.039 16.468 22.149 1.00 1.00 H new ATOM 0 H2 MET A 1 62.147 15.387 21.451 1.00 1.00 H new ATOM 0 H3 MET A 1 60.808 15.925 20.557 1.00 1.00 H new ATOM 0 HA MET A 1 60.612 14.310 23.049 1.00 1.00 H new ATOM 0 HB2 MET A 1 58.503 14.739 20.901 1.00 1.00 H new ATOM 0 HB3 MET A 1 58.277 14.156 22.538 1.00 1.00 H new ATOM 0 HG2 MET A 1 59.126 16.442 23.364 1.00 1.00 H new ATOM 0 HG3 MET A 1 59.068 16.989 21.700 1.00 1.00 H new ATOM 0 HE1 MET A 1 55.879 18.759 22.185 1.00 1.00 H new ATOM 0 HE2 MET A 1 57.522 18.887 22.857 1.00 1.00 H new ATOM 0 HE3 MET A 1 57.292 18.477 21.140 1.00 1.00 H new ATOM 17 N ASN A 2 61.751 13.252 20.488 1.00 1.00 N ATOM 18 CA ASN A 2 62.092 12.073 19.641 1.00 1.00 C ATOM 19 C ASN A 2 60.995 11.862 18.595 1.00 1.00 C ATOM 20 O ASN A 2 59.870 12.286 18.767 1.00 1.00 O ATOM 21 CB ASN A 2 62.207 10.826 20.523 1.00 1.00 C ATOM 22 CG ASN A 2 62.955 9.729 19.763 1.00 1.00 C ATOM 23 OD1 ASN A 2 64.084 9.918 19.355 1.00 1.00 O ATOM 24 ND2 ASN A 2 62.370 8.582 19.554 1.00 1.00 N ATOM 0 H ASN A 2 62.442 14.003 20.485 1.00 1.00 H new ATOM 0 HA ASN A 2 63.043 12.249 19.138 1.00 1.00 H new ATOM 0 HB2 ASN A 2 62.734 11.068 21.446 1.00 1.00 H new ATOM 0 HB3 ASN A 2 61.215 10.475 20.806 1.00 1.00 H new ATOM 0 HD21 ASN A 2 62.860 7.844 19.048 1.00 1.00 H new ATOM 0 HD22 ASN A 2 61.422 8.423 19.896 1.00 1.00 H new ATOM 31 N LEU A 3 61.313 11.208 17.511 1.00 1.00 N ATOM 32 CA LEU A 3 60.287 10.970 16.456 1.00 1.00 C ATOM 33 C LEU A 3 60.705 9.773 15.600 1.00 1.00 C ATOM 34 O LEU A 3 61.086 9.919 14.455 1.00 1.00 O ATOM 35 CB LEU A 3 60.166 12.215 15.571 1.00 1.00 C ATOM 36 CG LEU A 3 58.873 12.143 14.756 1.00 1.00 C ATOM 37 CD1 LEU A 3 57.727 12.760 15.560 1.00 1.00 C ATOM 38 CD2 LEU A 3 59.053 12.918 13.449 1.00 1.00 C ATOM 0 H LEU A 3 62.238 10.828 17.310 1.00 1.00 H new ATOM 0 HA LEU A 3 59.325 10.763 16.924 1.00 1.00 H new ATOM 0 HB2 LEU A 3 60.169 13.114 16.188 1.00 1.00 H new ATOM 0 HB3 LEU A 3 61.025 12.284 14.903 1.00 1.00 H new ATOM 0 HG LEU A 3 58.641 11.101 14.534 1.00 1.00 H new ATOM 0 HD11 LEU A 3 56.806 12.709 14.979 1.00 1.00 H new ATOM 0 HD12 LEU A 3 57.599 12.210 16.492 1.00 1.00 H new ATOM 0 HD13 LEU A 3 57.958 13.802 15.782 1.00 1.00 H new ATOM 0 HD21 LEU A 3 58.133 12.868 12.867 1.00 1.00 H new ATOM 0 HD22 LEU A 3 59.285 13.959 13.672 1.00 1.00 H new ATOM 0 HD23 LEU A 3 59.870 12.479 12.875 1.00 1.00 H new ATOM 50 N GLU A 4 60.635 8.590 16.145 1.00 1.00 N ATOM 51 CA GLU A 4 61.026 7.384 15.362 1.00 1.00 C ATOM 52 C GLU A 4 60.318 7.413 14.002 1.00 1.00 C ATOM 53 O GLU A 4 59.249 7.975 13.868 1.00 1.00 O ATOM 54 CB GLU A 4 60.610 6.126 16.131 1.00 1.00 C ATOM 55 CG GLU A 4 61.611 5.861 17.257 1.00 1.00 C ATOM 56 CD GLU A 4 62.936 5.381 16.661 1.00 1.00 C ATOM 57 OE1 GLU A 4 63.008 4.223 16.284 1.00 1.00 O ATOM 58 OE2 GLU A 4 63.856 6.180 16.591 1.00 1.00 O ATOM 0 H GLU A 4 60.324 8.406 17.099 1.00 1.00 H new ATOM 0 HA GLU A 4 62.105 7.376 15.210 1.00 1.00 H new ATOM 0 HB2 GLU A 4 59.609 6.253 16.543 1.00 1.00 H new ATOM 0 HB3 GLU A 4 60.571 5.271 15.456 1.00 1.00 H new ATOM 0 HG2 GLU A 4 61.770 6.770 17.838 1.00 1.00 H new ATOM 0 HG3 GLU A 4 61.215 5.110 17.941 1.00 1.00 H new ATOM 65 N PRO A 5 60.908 6.813 12.999 1.00 1.00 N ATOM 66 CA PRO A 5 60.317 6.775 11.628 1.00 1.00 C ATOM 67 C PRO A 5 58.963 6.053 11.608 1.00 1.00 C ATOM 68 O PRO A 5 58.623 5.334 12.526 1.00 1.00 O ATOM 69 CB PRO A 5 61.354 6.013 10.789 1.00 1.00 C ATOM 70 CG PRO A 5 62.213 5.285 11.770 1.00 1.00 C ATOM 71 CD PRO A 5 62.194 6.104 13.061 1.00 1.00 C ATOM 0 HA PRO A 5 60.117 7.776 11.246 1.00 1.00 H new ATOM 0 HB2 PRO A 5 60.869 5.319 10.103 1.00 1.00 H new ATOM 0 HB3 PRO A 5 61.947 6.698 10.183 1.00 1.00 H new ATOM 0 HG2 PRO A 5 61.834 4.278 11.945 1.00 1.00 H new ATOM 0 HG3 PRO A 5 63.230 5.181 11.392 1.00 1.00 H new ATOM 0 HD2 PRO A 5 62.258 5.466 13.942 1.00 1.00 H new ATOM 0 HD3 PRO A 5 63.033 6.798 13.108 1.00 1.00 H new ATOM 79 N PRO A 6 58.199 6.248 10.565 1.00 1.00 N ATOM 80 CA PRO A 6 56.857 5.610 10.418 1.00 1.00 C ATOM 81 C PRO A 6 56.956 4.105 10.145 1.00 1.00 C ATOM 82 O PRO A 6 57.685 3.673 9.275 1.00 1.00 O ATOM 83 CB PRO A 6 56.242 6.338 9.218 1.00 1.00 C ATOM 84 CG PRO A 6 57.404 6.821 8.415 1.00 1.00 C ATOM 85 CD PRO A 6 58.533 7.096 9.409 1.00 1.00 C ATOM 0 HA PRO A 6 56.264 5.694 11.329 1.00 1.00 H new ATOM 0 HB2 PRO A 6 55.610 5.669 8.633 1.00 1.00 H new ATOM 0 HB3 PRO A 6 55.614 7.168 9.541 1.00 1.00 H new ATOM 0 HG2 PRO A 6 57.706 6.074 7.681 1.00 1.00 H new ATOM 0 HG3 PRO A 6 57.145 7.724 7.862 1.00 1.00 H new ATOM 0 HD2 PRO A 6 59.506 6.837 8.991 1.00 1.00 H new ATOM 0 HD3 PRO A 6 58.575 8.150 9.685 1.00 1.00 H new ATOM 93 N LYS A 7 56.220 3.312 10.887 1.00 1.00 N ATOM 94 CA LYS A 7 56.244 1.824 10.698 1.00 1.00 C ATOM 95 C LYS A 7 57.503 1.394 9.937 1.00 1.00 C ATOM 96 O LYS A 7 58.613 1.617 10.377 1.00 1.00 O ATOM 97 CB LYS A 7 55.000 1.384 9.917 1.00 1.00 C ATOM 98 CG LYS A 7 54.860 2.229 8.649 1.00 1.00 C ATOM 99 CD LYS A 7 53.898 3.389 8.912 1.00 1.00 C ATOM 100 CE LYS A 7 53.704 4.194 7.626 1.00 1.00 C ATOM 101 NZ LYS A 7 52.698 3.515 6.762 1.00 1.00 N ATOM 0 H LYS A 7 55.595 3.636 11.625 1.00 1.00 H new ATOM 0 HA LYS A 7 56.251 1.350 11.680 1.00 1.00 H new ATOM 0 HB2 LYS A 7 55.078 0.329 9.655 1.00 1.00 H new ATOM 0 HB3 LYS A 7 54.111 1.494 10.538 1.00 1.00 H new ATOM 0 HG2 LYS A 7 55.834 2.612 8.345 1.00 1.00 H new ATOM 0 HG3 LYS A 7 54.490 1.614 7.829 1.00 1.00 H new ATOM 0 HD2 LYS A 7 52.939 3.007 9.263 1.00 1.00 H new ATOM 0 HD3 LYS A 7 54.293 4.031 9.699 1.00 1.00 H new ATOM 0 HE2 LYS A 7 53.372 5.205 7.864 1.00 1.00 H new ATOM 0 HE3 LYS A 7 54.652 4.286 7.096 1.00 1.00 H new ATOM 0 HZ1 LYS A 7 52.171 4.227 6.217 1.00 1.00 H new ATOM 0 HZ2 LYS A 7 53.183 2.868 6.108 1.00 1.00 H new ATOM 0 HZ3 LYS A 7 52.037 2.975 7.357 1.00 1.00 H new ATOM 115 N ALA A 8 57.337 0.778 8.798 1.00 1.00 N ATOM 116 CA ALA A 8 58.521 0.334 8.011 1.00 1.00 C ATOM 117 C ALA A 8 58.116 0.136 6.549 1.00 1.00 C ATOM 118 O ALA A 8 57.959 1.084 5.805 1.00 1.00 O ATOM 119 CB ALA A 8 59.044 -0.988 8.578 1.00 1.00 C ATOM 0 H ALA A 8 56.432 0.563 8.379 1.00 1.00 H new ATOM 0 HA ALA A 8 59.303 1.091 8.073 1.00 1.00 H new ATOM 0 HB1 ALA A 8 59.911 -1.313 8.002 1.00 1.00 H new ATOM 0 HB2 ALA A 8 59.332 -0.848 9.620 1.00 1.00 H new ATOM 0 HB3 ALA A 8 58.262 -1.745 8.516 1.00 1.00 H new ATOM 125 N GLU A 9 57.945 -1.088 6.130 1.00 1.00 N ATOM 126 CA GLU A 9 57.550 -1.345 4.717 1.00 1.00 C ATOM 127 C GLU A 9 57.206 -2.826 4.543 1.00 1.00 C ATOM 128 O GLU A 9 56.756 -3.250 3.497 1.00 1.00 O ATOM 129 CB GLU A 9 58.709 -0.978 3.788 1.00 1.00 C ATOM 130 CG GLU A 9 59.899 -1.897 4.069 1.00 1.00 C ATOM 131 CD GLU A 9 61.148 -1.340 3.384 1.00 1.00 C ATOM 132 OE1 GLU A 9 61.652 -0.330 3.846 1.00 1.00 O ATOM 133 OE2 GLU A 9 61.580 -1.933 2.408 1.00 1.00 O ATOM 0 H GLU A 9 58.062 -1.922 6.706 1.00 1.00 H new ATOM 0 HA GLU A 9 56.679 -0.739 4.468 1.00 1.00 H new ATOM 0 HB2 GLU A 9 58.399 -1.074 2.747 1.00 1.00 H new ATOM 0 HB3 GLU A 9 58.996 0.063 3.940 1.00 1.00 H new ATOM 0 HG2 GLU A 9 60.065 -1.976 5.143 1.00 1.00 H new ATOM 0 HG3 GLU A 9 59.689 -2.903 3.704 1.00 1.00 H new ATOM 140 N CYS A 10 57.415 -3.617 5.560 1.00 1.00 N ATOM 141 CA CYS A 10 57.099 -5.070 5.451 1.00 1.00 C ATOM 142 C CYS A 10 55.685 -5.244 4.892 1.00 1.00 C ATOM 143 O CYS A 10 55.337 -6.284 4.370 1.00 1.00 O ATOM 144 CB CYS A 10 57.186 -5.716 6.836 1.00 1.00 C ATOM 145 SG CYS A 10 58.916 -6.079 7.224 1.00 1.00 S ATOM 0 H CYS A 10 57.791 -3.320 6.461 1.00 1.00 H new ATOM 0 HA CYS A 10 57.814 -5.549 4.782 1.00 1.00 H new ATOM 0 HB2 CYS A 10 56.766 -5.048 7.588 1.00 1.00 H new ATOM 0 HB3 CYS A 10 56.597 -6.633 6.859 1.00 1.00 H new ATOM 150 N ARG A 11 54.867 -4.233 4.998 1.00 1.00 N ATOM 151 CA ARG A 11 53.477 -4.341 4.473 1.00 1.00 C ATOM 152 C ARG A 11 53.513 -4.863 3.035 1.00 1.00 C ATOM 153 O ARG A 11 52.538 -5.380 2.527 1.00 1.00 O ATOM 154 CB ARG A 11 52.814 -2.962 4.499 1.00 1.00 C ATOM 155 CG ARG A 11 51.301 -3.119 4.337 1.00 1.00 C ATOM 156 CD ARG A 11 50.679 -1.762 4.002 1.00 1.00 C ATOM 157 NE ARG A 11 51.388 -0.691 4.757 1.00 1.00 N ATOM 158 CZ ARG A 11 51.104 -0.479 6.013 1.00 1.00 C ATOM 159 NH1 ARG A 11 50.198 -1.206 6.608 1.00 1.00 N ATOM 160 NH2 ARG A 11 51.725 0.459 6.673 1.00 1.00 N ATOM 0 H ARG A 11 55.101 -3.337 5.425 1.00 1.00 H new ATOM 0 HA ARG A 11 52.906 -5.031 5.095 1.00 1.00 H new ATOM 0 HB2 ARG A 11 53.039 -2.456 5.438 1.00 1.00 H new ATOM 0 HB3 ARG A 11 53.213 -2.340 3.698 1.00 1.00 H new ATOM 0 HG2 ARG A 11 51.082 -3.836 3.546 1.00 1.00 H new ATOM 0 HG3 ARG A 11 50.865 -3.514 5.255 1.00 1.00 H new ATOM 0 HD2 ARG A 11 50.748 -1.573 2.931 1.00 1.00 H new ATOM 0 HD3 ARG A 11 49.620 -1.762 4.258 1.00 1.00 H new ATOM 0 HE ARG A 11 52.096 -0.123 4.292 1.00 1.00 H new ATOM 0 HH11 ARG A 11 49.712 -1.939 6.091 1.00 1.00 H new ATOM 0 HH12 ARG A 11 49.976 -1.041 7.590 1.00 1.00 H new ATOM 0 HH21 ARG A 11 52.433 1.027 6.207 1.00 1.00 H new ATOM 0 HH22 ARG A 11 51.503 0.625 7.655 1.00 1.00 H new ATOM 174 N SER A 12 54.631 -4.733 2.375 1.00 1.00 N ATOM 175 CA SER A 12 54.728 -5.221 0.970 1.00 1.00 C ATOM 176 C SER A 12 54.431 -6.722 0.931 1.00 1.00 C ATOM 177 O SER A 12 53.939 -7.292 1.885 1.00 1.00 O ATOM 178 CB SER A 12 56.139 -4.967 0.439 1.00 1.00 C ATOM 179 OG SER A 12 57.000 -6.008 0.878 1.00 1.00 O ATOM 0 H SER A 12 55.481 -4.310 2.748 1.00 1.00 H new ATOM 0 HA SER A 12 54.005 -4.691 0.350 1.00 1.00 H new ATOM 0 HB2 SER A 12 56.128 -4.924 -0.650 1.00 1.00 H new ATOM 0 HB3 SER A 12 56.505 -4.003 0.793 1.00 1.00 H new ATOM 0 HG SER A 12 57.905 -5.849 0.538 1.00 1.00 H new ATOM 185 N ALA A 13 54.726 -7.366 -0.165 1.00 1.00 N ATOM 186 CA ALA A 13 54.459 -8.829 -0.263 1.00 1.00 C ATOM 187 C ALA A 13 55.305 -9.428 -1.389 1.00 1.00 C ATOM 188 O ALA A 13 54.790 -10.008 -2.324 1.00 1.00 O ATOM 189 CB ALA A 13 52.977 -9.059 -0.562 1.00 1.00 C ATOM 0 H ALA A 13 55.140 -6.943 -0.996 1.00 1.00 H new ATOM 0 HA ALA A 13 54.718 -9.309 0.681 1.00 1.00 H new ATOM 0 HB1 ALA A 13 52.782 -10.129 -0.634 1.00 1.00 H new ATOM 0 HB2 ALA A 13 52.374 -8.633 0.240 1.00 1.00 H new ATOM 0 HB3 ALA A 13 52.717 -8.579 -1.506 1.00 1.00 H new ATOM 195 N THR A 14 56.601 -9.291 -1.307 1.00 1.00 N ATOM 196 CA THR A 14 57.480 -9.853 -2.373 1.00 1.00 C ATOM 197 C THR A 14 58.838 -10.221 -1.771 1.00 1.00 C ATOM 198 O THR A 14 59.807 -9.502 -1.914 1.00 1.00 O ATOM 199 CB THR A 14 57.678 -8.809 -3.475 1.00 1.00 C ATOM 200 OG1 THR A 14 57.970 -7.550 -2.885 1.00 1.00 O ATOM 201 CG2 THR A 14 56.402 -8.699 -4.312 1.00 1.00 C ATOM 0 H THR A 14 57.089 -8.815 -0.549 1.00 1.00 H new ATOM 0 HA THR A 14 57.015 -10.744 -2.796 1.00 1.00 H new ATOM 0 HB THR A 14 58.506 -9.111 -4.117 1.00 1.00 H new ATOM 0 HG1 THR A 14 58.808 -7.612 -2.380 1.00 1.00 H new ATOM 0 HG21 THR A 14 56.544 -7.955 -5.096 1.00 1.00 H new ATOM 0 HG22 THR A 14 56.179 -9.665 -4.764 1.00 1.00 H new ATOM 0 HG23 THR A 14 55.572 -8.398 -3.673 1.00 1.00 H new ATOM 209 N ARG A 15 58.915 -11.336 -1.098 1.00 1.00 N ATOM 210 CA ARG A 15 60.210 -11.750 -0.487 1.00 1.00 C ATOM 211 C ARG A 15 61.104 -12.367 -1.568 1.00 1.00 C ATOM 212 O ARG A 15 62.309 -12.434 -1.429 1.00 1.00 O ATOM 213 CB ARG A 15 59.941 -12.782 0.620 1.00 1.00 C ATOM 214 CG ARG A 15 60.838 -12.490 1.824 1.00 1.00 C ATOM 215 CD ARG A 15 62.304 -12.665 1.423 1.00 1.00 C ATOM 216 NE ARG A 15 62.473 -13.963 0.712 1.00 1.00 N ATOM 217 CZ ARG A 15 63.560 -14.197 0.030 1.00 1.00 C ATOM 218 NH1 ARG A 15 64.501 -13.294 -0.029 1.00 1.00 N ATOM 219 NH2 ARG A 15 63.708 -15.334 -0.593 1.00 1.00 N ATOM 0 H ARG A 15 58.138 -11.978 -0.945 1.00 1.00 H new ATOM 0 HA ARG A 15 60.711 -10.883 -0.057 1.00 1.00 H new ATOM 0 HB2 ARG A 15 58.893 -12.746 0.918 1.00 1.00 H new ATOM 0 HB3 ARG A 15 60.132 -13.788 0.247 1.00 1.00 H new ATOM 0 HG2 ARG A 15 60.666 -11.474 2.181 1.00 1.00 H new ATOM 0 HG3 ARG A 15 60.592 -13.163 2.646 1.00 1.00 H new ATOM 0 HD2 ARG A 15 62.617 -11.842 0.780 1.00 1.00 H new ATOM 0 HD3 ARG A 15 62.940 -12.637 2.308 1.00 1.00 H new ATOM 0 HE ARG A 15 61.738 -14.669 0.758 1.00 1.00 H new ATOM 0 HH11 ARG A 15 64.386 -12.405 0.458 1.00 1.00 H new ATOM 0 HH12 ARG A 15 65.351 -13.477 -0.562 1.00 1.00 H new ATOM 0 HH21 ARG A 15 62.973 -16.040 -0.547 1.00 1.00 H new ATOM 0 HH22 ARG A 15 64.558 -15.516 -1.126 1.00 1.00 H new ATOM 233 N VAL A 16 60.521 -12.816 -2.647 1.00 1.00 N ATOM 234 CA VAL A 16 61.335 -13.428 -3.737 1.00 1.00 C ATOM 235 C VAL A 16 60.641 -13.197 -5.081 1.00 1.00 C ATOM 236 O VAL A 16 59.431 -13.113 -5.159 1.00 1.00 O ATOM 237 CB VAL A 16 61.473 -14.931 -3.486 1.00 1.00 C ATOM 238 CG1 VAL A 16 60.083 -15.562 -3.385 1.00 1.00 C ATOM 239 CG2 VAL A 16 62.239 -15.572 -4.645 1.00 1.00 C ATOM 0 H VAL A 16 59.516 -12.786 -2.821 1.00 1.00 H new ATOM 0 HA VAL A 16 62.324 -12.970 -3.755 1.00 1.00 H new ATOM 0 HB VAL A 16 62.015 -15.095 -2.555 1.00 1.00 H new ATOM 0 HG11 VAL A 16 60.182 -16.633 -3.206 1.00 1.00 H new ATOM 0 HG12 VAL A 16 59.535 -15.105 -2.561 1.00 1.00 H new ATOM 0 HG13 VAL A 16 59.540 -15.398 -4.316 1.00 1.00 H new ATOM 0 HG21 VAL A 16 62.338 -16.643 -4.468 1.00 1.00 H new ATOM 0 HG22 VAL A 16 61.696 -15.407 -5.576 1.00 1.00 H new ATOM 0 HG23 VAL A 16 63.230 -15.123 -4.719 1.00 1.00 H new ATOM 249 N MET A 17 61.398 -13.094 -6.140 1.00 1.00 N ATOM 250 CA MET A 17 60.786 -12.869 -7.482 1.00 1.00 C ATOM 251 C MET A 17 60.016 -11.545 -7.479 1.00 1.00 C ATOM 252 O MET A 17 59.187 -11.299 -6.626 1.00 1.00 O ATOM 253 CB MET A 17 59.828 -14.019 -7.809 1.00 1.00 C ATOM 254 CG MET A 17 59.567 -14.054 -9.316 1.00 1.00 C ATOM 255 SD MET A 17 58.222 -15.213 -9.669 1.00 1.00 S ATOM 256 CE MET A 17 58.308 -15.118 -11.474 1.00 1.00 C ATOM 0 H MET A 17 62.416 -13.156 -6.134 1.00 1.00 H new ATOM 0 HA MET A 17 61.572 -12.828 -8.236 1.00 1.00 H new ATOM 0 HB2 MET A 17 60.255 -14.967 -7.481 1.00 1.00 H new ATOM 0 HB3 MET A 17 58.890 -13.889 -7.270 1.00 1.00 H new ATOM 0 HG2 MET A 17 59.306 -13.058 -9.674 1.00 1.00 H new ATOM 0 HG3 MET A 17 60.470 -14.357 -9.845 1.00 1.00 H new ATOM 0 HE1 MET A 17 57.550 -15.769 -11.909 1.00 1.00 H new ATOM 0 HE2 MET A 17 58.131 -14.091 -11.793 1.00 1.00 H new ATOM 0 HE3 MET A 17 59.295 -15.437 -11.809 1.00 1.00 H new ATOM 266 N GLY A 18 60.285 -10.691 -8.429 1.00 1.00 N ATOM 267 CA GLY A 18 59.569 -9.383 -8.483 1.00 1.00 C ATOM 268 C GLY A 18 59.481 -8.911 -9.934 1.00 1.00 C ATOM 269 O GLY A 18 60.465 -8.527 -10.533 1.00 1.00 O ATOM 0 H GLY A 18 60.969 -10.842 -9.170 1.00 1.00 H new ATOM 0 HA2 GLY A 18 58.569 -9.486 -8.061 1.00 1.00 H new ATOM 0 HA3 GLY A 18 60.095 -8.643 -7.880 1.00 1.00 H new ATOM 273 N GLY A 19 58.308 -8.936 -10.506 1.00 1.00 N ATOM 274 CA GLY A 19 58.159 -8.488 -11.919 1.00 1.00 C ATOM 275 C GLY A 19 58.170 -6.959 -11.978 1.00 1.00 C ATOM 276 O GLY A 19 58.938 -6.367 -12.709 1.00 1.00 O ATOM 0 H GLY A 19 57.447 -9.247 -10.056 1.00 1.00 H new ATOM 0 HA2 GLY A 19 58.970 -8.891 -12.526 1.00 1.00 H new ATOM 0 HA3 GLY A 19 57.228 -8.871 -12.336 1.00 1.00 H new ATOM 280 N PRO A 20 57.319 -6.329 -11.212 1.00 1.00 N ATOM 281 CA PRO A 20 57.215 -4.837 -11.166 1.00 1.00 C ATOM 282 C PRO A 20 58.557 -4.165 -10.843 1.00 1.00 C ATOM 283 O PRO A 20 58.716 -3.538 -9.814 1.00 1.00 O ATOM 284 CB PRO A 20 56.193 -4.572 -10.051 1.00 1.00 C ATOM 285 CG PRO A 20 55.407 -5.834 -9.925 1.00 1.00 C ATOM 286 CD PRO A 20 56.355 -6.972 -10.306 1.00 1.00 C ATOM 0 HA PRO A 20 56.919 -4.425 -12.131 1.00 1.00 H new ATOM 0 HB2 PRO A 20 56.690 -4.324 -9.113 1.00 1.00 H new ATOM 0 HB3 PRO A 20 55.547 -3.730 -10.302 1.00 1.00 H new ATOM 0 HG2 PRO A 20 55.037 -5.961 -8.908 1.00 1.00 H new ATOM 0 HG3 PRO A 20 54.537 -5.817 -10.581 1.00 1.00 H new ATOM 0 HD2 PRO A 20 56.848 -7.394 -9.430 1.00 1.00 H new ATOM 0 HD3 PRO A 20 55.825 -7.788 -10.798 1.00 1.00 H new ATOM 294 N CYS A 21 59.520 -4.289 -11.716 1.00 1.00 N ATOM 295 CA CYS A 21 60.848 -3.658 -11.467 1.00 1.00 C ATOM 296 C CYS A 21 61.360 -3.022 -12.761 1.00 1.00 C ATOM 297 O CYS A 21 61.843 -3.699 -13.647 1.00 1.00 O ATOM 298 CB CYS A 21 61.839 -4.725 -10.994 1.00 1.00 C ATOM 299 SG CYS A 21 63.213 -3.930 -10.125 1.00 1.00 S ATOM 0 H CYS A 21 59.444 -4.802 -12.594 1.00 1.00 H new ATOM 0 HA CYS A 21 60.748 -2.890 -10.700 1.00 1.00 H new ATOM 0 HB2 CYS A 21 61.339 -5.434 -10.334 1.00 1.00 H new ATOM 0 HB3 CYS A 21 62.213 -5.292 -11.846 1.00 1.00 H new ATOM 304 N THR A 22 61.259 -1.725 -12.881 1.00 1.00 N ATOM 305 CA THR A 22 61.740 -1.052 -14.122 1.00 1.00 C ATOM 306 C THR A 22 63.208 -0.646 -13.946 1.00 1.00 C ATOM 307 O THR A 22 63.641 -0.331 -12.855 1.00 1.00 O ATOM 308 CB THR A 22 60.894 0.197 -14.384 1.00 1.00 C ATOM 309 OG1 THR A 22 61.631 1.105 -15.190 1.00 1.00 O ATOM 310 CG2 THR A 22 60.539 0.864 -13.054 1.00 1.00 C ATOM 0 H THR A 22 60.865 -1.104 -12.175 1.00 1.00 H new ATOM 0 HA THR A 22 61.650 -1.736 -14.966 1.00 1.00 H new ATOM 0 HB THR A 22 59.977 -0.087 -14.901 1.00 1.00 H new ATOM 0 HG1 THR A 22 61.090 1.904 -15.360 1.00 1.00 H new ATOM 0 HG21 THR A 22 59.937 1.753 -13.242 1.00 1.00 H new ATOM 0 HG22 THR A 22 59.973 0.166 -12.437 1.00 1.00 H new ATOM 0 HG23 THR A 22 61.454 1.149 -12.534 1.00 1.00 H new ATOM 318 N PRO A 23 63.971 -0.649 -15.012 1.00 1.00 N ATOM 319 CA PRO A 23 65.415 -0.269 -14.968 1.00 1.00 C ATOM 320 C PRO A 23 65.612 1.247 -14.844 1.00 1.00 C ATOM 321 O PRO A 23 66.507 1.816 -15.437 1.00 1.00 O ATOM 322 CB PRO A 23 65.955 -0.776 -16.308 1.00 1.00 C ATOM 323 CG PRO A 23 64.783 -0.738 -17.232 1.00 1.00 C ATOM 324 CD PRO A 23 63.544 -1.010 -16.374 1.00 1.00 C ATOM 0 HA PRO A 23 65.925 -0.692 -14.103 1.00 1.00 H new ATOM 0 HB2 PRO A 23 66.766 -0.145 -16.672 1.00 1.00 H new ATOM 0 HB3 PRO A 23 66.354 -1.786 -16.217 1.00 1.00 H new ATOM 0 HG2 PRO A 23 64.709 0.232 -17.725 1.00 1.00 H new ATOM 0 HG3 PRO A 23 64.883 -1.487 -18.017 1.00 1.00 H new ATOM 0 HD2 PRO A 23 62.694 -0.410 -16.698 1.00 1.00 H new ATOM 0 HD3 PRO A 23 63.238 -2.055 -16.433 1.00 1.00 H new ATOM 332 N ARG A 24 64.784 1.905 -14.078 1.00 1.00 N ATOM 333 CA ARG A 24 64.926 3.382 -13.919 1.00 1.00 C ATOM 334 C ARG A 24 64.545 3.780 -12.490 1.00 1.00 C ATOM 335 O ARG A 24 63.421 4.154 -12.218 1.00 1.00 O ATOM 336 CB ARG A 24 64.000 4.095 -14.919 1.00 1.00 C ATOM 337 CG ARG A 24 64.811 4.552 -16.133 1.00 1.00 C ATOM 338 CD ARG A 24 65.469 5.899 -15.830 1.00 1.00 C ATOM 339 NE ARG A 24 66.377 6.272 -16.952 1.00 1.00 N ATOM 340 CZ ARG A 24 65.889 6.814 -18.034 1.00 1.00 C ATOM 341 NH1 ARG A 24 64.606 7.030 -18.134 1.00 1.00 N ATOM 342 NH2 ARG A 24 66.684 7.140 -19.016 1.00 1.00 N ATOM 0 H ARG A 24 64.016 1.484 -13.556 1.00 1.00 H new ATOM 0 HA ARG A 24 65.959 3.673 -14.112 1.00 1.00 H new ATOM 0 HB2 ARG A 24 63.202 3.423 -15.234 1.00 1.00 H new ATOM 0 HB3 ARG A 24 63.525 4.953 -14.443 1.00 1.00 H new ATOM 0 HG2 ARG A 24 65.572 3.810 -16.375 1.00 1.00 H new ATOM 0 HG3 ARG A 24 64.162 4.640 -17.005 1.00 1.00 H new ATOM 0 HD2 ARG A 24 64.706 6.666 -15.695 1.00 1.00 H new ATOM 0 HD3 ARG A 24 66.031 5.840 -14.898 1.00 1.00 H new ATOM 0 HE ARG A 24 67.380 6.103 -16.874 1.00 1.00 H new ATOM 0 HH11 ARG A 24 63.985 6.775 -17.366 1.00 1.00 H new ATOM 0 HH12 ARG A 24 64.225 7.454 -18.980 1.00 1.00 H new ATOM 0 HH21 ARG A 24 67.687 6.971 -18.938 1.00 1.00 H new ATOM 0 HH22 ARG A 24 66.303 7.564 -19.862 1.00 1.00 H new ATOM 356 N LYS A 25 65.474 3.706 -11.576 1.00 1.00 N ATOM 357 CA LYS A 25 65.167 4.084 -10.167 1.00 1.00 C ATOM 358 C LYS A 25 65.392 5.590 -9.992 1.00 1.00 C ATOM 359 O LYS A 25 66.448 6.029 -9.579 1.00 1.00 O ATOM 360 CB LYS A 25 66.087 3.297 -9.219 1.00 1.00 C ATOM 361 CG LYS A 25 65.297 2.856 -7.985 1.00 1.00 C ATOM 362 CD LYS A 25 64.496 1.595 -8.315 1.00 1.00 C ATOM 363 CE LYS A 25 65.370 0.360 -8.087 1.00 1.00 C ATOM 364 NZ LYS A 25 65.812 0.321 -6.664 1.00 1.00 N ATOM 0 H LYS A 25 66.432 3.400 -11.744 1.00 1.00 H new ATOM 0 HA LYS A 25 64.129 3.847 -9.933 1.00 1.00 H new ATOM 0 HB2 LYS A 25 66.495 2.426 -9.732 1.00 1.00 H new ATOM 0 HB3 LYS A 25 66.933 3.916 -8.920 1.00 1.00 H new ATOM 0 HG2 LYS A 25 65.977 2.661 -7.156 1.00 1.00 H new ATOM 0 HG3 LYS A 25 64.625 3.653 -7.666 1.00 1.00 H new ATOM 0 HD2 LYS A 25 63.605 1.543 -7.689 1.00 1.00 H new ATOM 0 HD3 LYS A 25 64.157 1.627 -9.350 1.00 1.00 H new ATOM 0 HE2 LYS A 25 64.812 -0.544 -8.331 1.00 1.00 H new ATOM 0 HE3 LYS A 25 66.237 0.387 -8.748 1.00 1.00 H new ATOM 378 N GLY A 26 64.409 6.387 -10.309 1.00 1.00 N ATOM 379 CA GLY A 26 64.571 7.862 -10.168 1.00 1.00 C ATOM 380 C GLY A 26 65.326 8.408 -11.382 1.00 1.00 C ATOM 381 O GLY A 26 65.698 7.669 -12.272 1.00 1.00 O ATOM 0 H GLY A 26 63.501 6.081 -10.659 1.00 1.00 H new ATOM 0 HA2 GLY A 26 63.595 8.340 -10.088 1.00 1.00 H new ATOM 0 HA3 GLY A 26 65.116 8.093 -9.253 1.00 1.00 H new ATOM 385 N PRO A 27 65.548 9.695 -11.417 1.00 1.00 N ATOM 386 CA PRO A 27 66.271 10.356 -12.543 1.00 1.00 C ATOM 387 C PRO A 27 67.765 10.007 -12.553 1.00 1.00 C ATOM 388 O PRO A 27 68.308 9.558 -11.563 1.00 1.00 O ATOM 389 CB PRO A 27 66.067 11.853 -12.281 1.00 1.00 C ATOM 390 CG PRO A 27 65.804 11.967 -10.816 1.00 1.00 C ATOM 391 CD PRO A 27 65.135 10.660 -10.386 1.00 1.00 C ATOM 0 HA PRO A 27 65.895 10.033 -13.514 1.00 1.00 H new ATOM 0 HB2 PRO A 27 66.949 12.426 -12.567 1.00 1.00 H new ATOM 0 HB3 PRO A 27 65.231 12.243 -12.862 1.00 1.00 H new ATOM 0 HG2 PRO A 27 66.732 12.125 -10.267 1.00 1.00 H new ATOM 0 HG3 PRO A 27 65.159 12.820 -10.604 1.00 1.00 H new ATOM 0 HD2 PRO A 27 65.464 10.350 -9.394 1.00 1.00 H new ATOM 0 HD3 PRO A 27 64.050 10.761 -10.345 1.00 1.00 H new ATOM 399 N PRO A 28 68.422 10.213 -13.665 1.00 1.00 N ATOM 400 CA PRO A 28 69.873 9.919 -13.811 1.00 1.00 C ATOM 401 C PRO A 28 70.672 10.285 -12.556 1.00 1.00 C ATOM 402 O PRO A 28 70.356 11.228 -11.858 1.00 1.00 O ATOM 403 CB PRO A 28 70.289 10.797 -14.991 1.00 1.00 C ATOM 404 CG PRO A 28 69.065 10.910 -15.840 1.00 1.00 C ATOM 405 CD PRO A 28 67.855 10.754 -14.911 1.00 1.00 C ATOM 0 HA PRO A 28 70.064 8.857 -13.964 1.00 1.00 H new ATOM 0 HB2 PRO A 28 70.627 11.777 -14.654 1.00 1.00 H new ATOM 0 HB3 PRO A 28 71.114 10.349 -15.545 1.00 1.00 H new ATOM 0 HG2 PRO A 28 69.037 11.873 -16.350 1.00 1.00 H new ATOM 0 HG3 PRO A 28 69.059 10.141 -16.612 1.00 1.00 H new ATOM 0 HD2 PRO A 28 67.358 11.709 -14.740 1.00 1.00 H new ATOM 0 HD3 PRO A 28 67.111 10.080 -15.336 1.00 1.00 H new ATOM 413 N LYS A 29 71.707 9.545 -12.267 1.00 1.00 N ATOM 414 CA LYS A 29 72.529 9.848 -11.061 1.00 1.00 C ATOM 415 C LYS A 29 73.785 8.976 -11.072 1.00 1.00 C ATOM 416 O LYS A 29 74.454 8.822 -10.070 1.00 1.00 O ATOM 417 CB LYS A 29 71.714 9.556 -9.799 1.00 1.00 C ATOM 418 CG LYS A 29 70.925 8.259 -9.990 1.00 1.00 C ATOM 419 CD LYS A 29 70.246 7.876 -8.673 1.00 1.00 C ATOM 420 CE LYS A 29 68.986 7.059 -8.967 1.00 1.00 C ATOM 421 NZ LYS A 29 67.861 7.980 -9.291 1.00 1.00 N ATOM 0 H LYS A 29 72.019 8.743 -12.814 1.00 1.00 H new ATOM 0 HA LYS A 29 72.815 10.900 -11.070 1.00 1.00 H new ATOM 0 HB2 LYS A 29 72.376 9.468 -8.938 1.00 1.00 H new ATOM 0 HB3 LYS A 29 71.033 10.382 -9.594 1.00 1.00 H new ATOM 0 HG2 LYS A 29 70.178 8.387 -10.773 1.00 1.00 H new ATOM 0 HG3 LYS A 29 71.592 7.460 -10.314 1.00 1.00 H new ATOM 0 HD2 LYS A 29 70.931 7.297 -8.053 1.00 1.00 H new ATOM 0 HD3 LYS A 29 69.988 8.773 -8.110 1.00 1.00 H new ATOM 0 HE2 LYS A 29 69.166 6.380 -9.801 1.00 1.00 H new ATOM 0 HE3 LYS A 29 68.729 6.444 -8.105 1.00 1.00 H new ATOM 0 HZ1 LYS A 29 67.023 7.424 -9.557 1.00 1.00 H new ATOM 0 HZ2 LYS A 29 67.640 8.564 -8.459 1.00 1.00 H new ATOM 0 HZ3 LYS A 29 68.134 8.596 -10.084 1.00 1.00 H new ATOM 435 N CYS A 30 74.111 8.404 -12.199 1.00 1.00 N ATOM 436 CA CYS A 30 75.325 7.543 -12.272 1.00 1.00 C ATOM 437 C CYS A 30 76.567 8.425 -12.408 1.00 1.00 C ATOM 438 O CYS A 30 77.664 7.942 -12.605 1.00 1.00 O ATOM 439 CB CYS A 30 75.222 6.618 -13.485 1.00 1.00 C ATOM 440 SG CYS A 30 76.665 5.527 -13.535 1.00 1.00 S ATOM 0 H CYS A 30 73.590 8.496 -13.071 1.00 1.00 H new ATOM 0 HA CYS A 30 75.401 6.944 -11.364 1.00 1.00 H new ATOM 0 HB2 CYS A 30 74.308 6.027 -13.429 1.00 1.00 H new ATOM 0 HB3 CYS A 30 75.166 7.206 -14.401 1.00 1.00 H new ATOM 445 N LYS A 31 76.404 9.715 -12.305 1.00 1.00 N ATOM 446 CA LYS A 31 77.570 10.625 -12.429 1.00 1.00 C ATOM 447 C LYS A 31 78.403 10.554 -11.145 1.00 1.00 C ATOM 448 O LYS A 31 77.925 10.848 -10.068 1.00 1.00 O ATOM 449 CB LYS A 31 77.066 12.061 -12.652 1.00 1.00 C ATOM 450 CG LYS A 31 77.713 12.641 -13.911 1.00 1.00 C ATOM 451 CD LYS A 31 79.224 12.758 -13.702 1.00 1.00 C ATOM 452 CE LYS A 31 79.589 14.218 -13.423 1.00 1.00 C ATOM 453 NZ LYS A 31 78.734 14.742 -12.322 1.00 1.00 N ATOM 0 H LYS A 31 75.510 10.177 -12.140 1.00 1.00 H new ATOM 0 HA LYS A 31 78.190 10.327 -13.274 1.00 1.00 H new ATOM 0 HB2 LYS A 31 75.981 12.065 -12.754 1.00 1.00 H new ATOM 0 HB3 LYS A 31 77.307 12.680 -11.788 1.00 1.00 H new ATOM 0 HG2 LYS A 31 77.502 12.002 -14.768 1.00 1.00 H new ATOM 0 HG3 LYS A 31 77.289 13.621 -14.132 1.00 1.00 H new ATOM 0 HD2 LYS A 31 79.536 12.128 -12.869 1.00 1.00 H new ATOM 0 HD3 LYS A 31 79.753 12.402 -14.586 1.00 1.00 H new ATOM 0 HE2 LYS A 31 80.641 14.295 -13.149 1.00 1.00 H new ATOM 0 HE3 LYS A 31 79.449 14.817 -14.323 1.00 1.00 H new ATOM 0 HZ1 LYS A 31 79.060 15.692 -12.052 1.00 1.00 H new ATOM 0 HZ2 LYS A 31 77.746 14.793 -12.644 1.00 1.00 H new ATOM 0 HZ3 LYS A 31 78.798 14.107 -11.501 1.00 1.00 H new ATOM 467 N GLN A 32 79.644 10.163 -11.250 1.00 1.00 N ATOM 468 CA GLN A 32 80.499 10.072 -10.033 1.00 1.00 C ATOM 469 C GLN A 32 81.974 10.067 -10.441 1.00 1.00 C ATOM 470 O GLN A 32 82.330 9.641 -11.521 1.00 1.00 O ATOM 471 CB GLN A 32 80.173 8.782 -9.277 1.00 1.00 C ATOM 472 CG GLN A 32 80.801 8.834 -7.883 1.00 1.00 C ATOM 473 CD GLN A 32 80.360 7.610 -7.078 1.00 1.00 C ATOM 474 OE1 GLN A 32 79.856 6.653 -7.632 1.00 1.00 O ATOM 475 NE2 GLN A 32 80.530 7.599 -5.784 1.00 1.00 N ATOM 0 H GLN A 32 80.102 9.903 -12.124 1.00 1.00 H new ATOM 0 HA GLN A 32 80.306 10.930 -9.389 1.00 1.00 H new ATOM 0 HB2 GLN A 32 79.093 8.658 -9.196 1.00 1.00 H new ATOM 0 HB3 GLN A 32 80.552 7.920 -9.826 1.00 1.00 H new ATOM 0 HG2 GLN A 32 81.888 8.858 -7.963 1.00 1.00 H new ATOM 0 HG3 GLN A 32 80.499 9.747 -7.371 1.00 1.00 H new ATOM 484 N ARG A 33 82.835 10.539 -9.581 1.00 1.00 N ATOM 485 CA ARG A 33 84.288 10.564 -9.911 1.00 1.00 C ATOM 486 C ARG A 33 84.896 9.188 -9.626 1.00 1.00 C ATOM 487 O ARG A 33 86.063 9.067 -9.314 1.00 1.00 O ATOM 488 CB ARG A 33 84.983 11.622 -9.047 1.00 1.00 C ATOM 489 CG ARG A 33 84.742 11.321 -7.567 1.00 1.00 C ATOM 490 CD ARG A 33 86.048 10.855 -6.921 1.00 1.00 C ATOM 491 NE ARG A 33 85.745 9.881 -5.834 1.00 1.00 N ATOM 492 CZ ARG A 33 86.653 9.598 -4.940 1.00 1.00 C ATOM 493 NH1 ARG A 33 87.826 10.168 -4.998 1.00 1.00 N ATOM 494 NH2 ARG A 33 86.388 8.746 -3.988 1.00 1.00 N ATOM 0 H ARG A 33 82.594 10.909 -8.662 1.00 1.00 H new ATOM 0 HA ARG A 33 84.423 10.808 -10.965 1.00 1.00 H new ATOM 0 HB2 ARG A 33 86.053 11.631 -9.256 1.00 1.00 H new ATOM 0 HB3 ARG A 33 84.602 12.613 -9.293 1.00 1.00 H new ATOM 0 HG2 ARG A 33 84.371 12.211 -7.060 1.00 1.00 H new ATOM 0 HG3 ARG A 33 83.977 10.552 -7.461 1.00 1.00 H new ATOM 0 HD2 ARG A 33 86.691 10.392 -7.669 1.00 1.00 H new ATOM 0 HD3 ARG A 33 86.592 11.709 -6.517 1.00 1.00 H new ATOM 0 HE ARG A 33 84.828 9.436 -5.789 1.00 1.00 H new ATOM 0 HH11 ARG A 33 88.033 10.834 -5.742 1.00 1.00 H new ATOM 0 HH12 ARG A 33 88.536 9.947 -4.299 1.00 1.00 H new ATOM 0 HH21 ARG A 33 85.471 8.301 -3.942 1.00 1.00 H new ATOM 0 HH22 ARG A 33 87.098 8.525 -3.289 1.00 1.00 H new ATOM 508 N GLN A 34 84.111 8.151 -9.729 1.00 1.00 N ATOM 509 CA GLN A 34 84.640 6.783 -9.460 1.00 1.00 C ATOM 510 C GLN A 34 85.651 6.393 -10.543 1.00 1.00 C ATOM 511 O GLN A 34 85.742 5.246 -10.933 1.00 1.00 O ATOM 512 CB GLN A 34 83.483 5.781 -9.463 1.00 1.00 C ATOM 513 CG GLN A 34 82.805 5.789 -10.834 1.00 1.00 C ATOM 514 CD GLN A 34 81.518 4.964 -10.773 1.00 1.00 C ATOM 515 OE1 GLN A 34 80.446 5.502 -10.576 1.00 1.00 O ATOM 516 NE2 GLN A 34 81.578 3.670 -10.934 1.00 1.00 N ATOM 0 H GLN A 34 83.125 8.191 -9.988 1.00 1.00 H new ATOM 0 HA GLN A 34 85.133 6.774 -8.488 1.00 1.00 H new ATOM 0 HB2 GLN A 34 83.853 4.782 -9.234 1.00 1.00 H new ATOM 0 HB3 GLN A 34 82.762 6.039 -8.687 1.00 1.00 H new ATOM 0 HG2 GLN A 34 82.579 6.812 -11.134 1.00 1.00 H new ATOM 0 HG3 GLN A 34 83.478 5.377 -11.586 1.00 1.00 H new ATOM 0 HE21 GLN A 34 82.477 3.218 -11.099 1.00 1.00 H new ATOM 0 HE22 GLN A 34 80.726 3.111 -10.894 1.00 1.00 H new ATOM 525 N THR A 35 86.414 7.335 -11.030 1.00 1.00 N ATOM 526 CA THR A 35 87.418 7.011 -12.083 1.00 1.00 C ATOM 527 C THR A 35 88.739 6.616 -11.420 1.00 1.00 C ATOM 528 O THR A 35 89.582 5.981 -12.022 1.00 1.00 O ATOM 529 CB THR A 35 87.642 8.236 -12.972 1.00 1.00 C ATOM 530 OG1 THR A 35 86.386 8.764 -13.372 1.00 1.00 O ATOM 531 CG2 THR A 35 88.446 7.831 -14.209 1.00 1.00 C ATOM 0 H THR A 35 86.385 8.314 -10.744 1.00 1.00 H new ATOM 0 HA THR A 35 87.052 6.184 -12.691 1.00 1.00 H new ATOM 0 HB THR A 35 88.194 8.994 -12.416 1.00 1.00 H new ATOM 0 HG1 THR A 35 86.527 9.550 -13.940 1.00 1.00 H new ATOM 0 HG21 THR A 35 88.605 8.704 -14.842 1.00 1.00 H new ATOM 0 HG22 THR A 35 89.410 7.426 -13.900 1.00 1.00 H new ATOM 0 HG23 THR A 35 87.897 7.073 -14.768 1.00 1.00 H new ATOM 539 N ARG A 36 88.928 6.989 -10.182 1.00 1.00 N ATOM 540 CA ARG A 36 90.195 6.637 -9.480 1.00 1.00 C ATOM 541 C ARG A 36 90.032 5.290 -8.771 1.00 1.00 C ATOM 542 O ARG A 36 90.973 4.746 -8.228 1.00 1.00 O ATOM 543 CB ARG A 36 90.525 7.721 -8.449 1.00 1.00 C ATOM 544 CG ARG A 36 90.078 9.084 -8.982 1.00 1.00 C ATOM 545 CD ARG A 36 90.591 10.188 -8.055 1.00 1.00 C ATOM 546 NE ARG A 36 89.701 11.378 -8.161 1.00 1.00 N ATOM 547 CZ ARG A 36 89.677 12.080 -9.261 1.00 1.00 C ATOM 548 NH1 ARG A 36 90.432 11.738 -10.269 1.00 1.00 N ATOM 549 NH2 ARG A 36 88.897 13.122 -9.353 1.00 1.00 N ATOM 0 H ARG A 36 88.259 7.522 -9.627 1.00 1.00 H new ATOM 0 HA ARG A 36 91.004 6.567 -10.207 1.00 1.00 H new ATOM 0 HB2 ARG A 36 90.024 7.505 -7.505 1.00 1.00 H new ATOM 0 HB3 ARG A 36 91.596 7.731 -8.246 1.00 1.00 H new ATOM 0 HG2 ARG A 36 90.461 9.235 -9.991 1.00 1.00 H new ATOM 0 HG3 ARG A 36 88.990 9.123 -9.044 1.00 1.00 H new ATOM 0 HD2 ARG A 36 90.617 9.830 -7.026 1.00 1.00 H new ATOM 0 HD3 ARG A 36 91.612 10.459 -8.324 1.00 1.00 H new ATOM 0 HE ARG A 36 89.110 11.644 -7.373 1.00 1.00 H new ATOM 0 HH11 ARG A 36 91.040 10.922 -10.197 1.00 1.00 H new ATOM 0 HH12 ARG A 36 90.414 12.286 -11.129 1.00 1.00 H new ATOM 0 HH21 ARG A 36 88.306 13.388 -8.565 1.00 1.00 H new ATOM 0 HH22 ARG A 36 88.878 13.671 -10.213 1.00 1.00 H new ATOM 563 N GLN A 37 88.844 4.750 -8.766 1.00 1.00 N ATOM 564 CA GLN A 37 88.626 3.441 -8.088 1.00 1.00 C ATOM 565 C GLN A 37 89.125 3.530 -6.644 1.00 1.00 C ATOM 566 O GLN A 37 89.332 2.530 -5.985 1.00 1.00 O ATOM 567 CB GLN A 37 89.397 2.348 -8.830 1.00 1.00 C ATOM 568 CG GLN A 37 89.101 2.441 -10.328 1.00 1.00 C ATOM 569 CD GLN A 37 89.695 1.226 -11.043 1.00 1.00 C ATOM 570 OE1 GLN A 37 90.804 1.278 -11.536 1.00 1.00 O ATOM 571 NE2 GLN A 37 88.999 0.125 -11.120 1.00 1.00 N ATOM 0 H GLN A 37 88.016 5.158 -9.201 1.00 1.00 H new ATOM 0 HA GLN A 37 87.563 3.199 -8.092 1.00 1.00 H new ATOM 0 HB2 GLN A 37 90.467 2.459 -8.652 1.00 1.00 H new ATOM 0 HB3 GLN A 37 89.111 1.366 -8.452 1.00 1.00 H new ATOM 0 HG2 GLN A 37 88.025 2.484 -10.495 1.00 1.00 H new ATOM 0 HG3 GLN A 37 89.524 3.359 -10.737 1.00 1.00 H new ATOM 0 HE21 GLN A 37 88.068 0.080 -10.706 1.00 1.00 H new ATOM 0 HE22 GLN A 37 89.386 -0.691 -11.594 1.00 1.00 H new ATOM 580 N CYS A 38 89.319 4.721 -6.146 1.00 1.00 N ATOM 581 CA CYS A 38 89.804 4.877 -4.746 1.00 1.00 C ATOM 582 C CYS A 38 91.178 4.218 -4.603 1.00 1.00 C ATOM 583 O CYS A 38 91.297 3.009 -4.574 1.00 1.00 O ATOM 584 CB CYS A 38 88.813 4.212 -3.786 1.00 1.00 C ATOM 585 SG CYS A 38 87.139 4.338 -4.464 1.00 1.00 S ATOM 0 H CYS A 38 89.162 5.594 -6.650 1.00 1.00 H new ATOM 0 HA CYS A 38 89.886 5.937 -4.506 1.00 1.00 H new ATOM 0 HB2 CYS A 38 89.079 3.165 -3.639 1.00 1.00 H new ATOM 0 HB3 CYS A 38 88.858 4.693 -2.809 1.00 1.00 H new ATOM 590 N LYS A 39 92.218 5.005 -4.514 1.00 1.00 N ATOM 591 CA LYS A 39 93.588 4.429 -4.371 1.00 1.00 C ATOM 592 C LYS A 39 94.031 4.523 -2.910 1.00 1.00 C ATOM 593 O LYS A 39 95.179 4.792 -2.617 1.00 1.00 O ATOM 594 CB LYS A 39 94.564 5.217 -5.246 1.00 1.00 C ATOM 595 CG LYS A 39 94.358 6.716 -5.019 1.00 1.00 C ATOM 596 CD LYS A 39 95.623 7.473 -5.428 1.00 1.00 C ATOM 597 CE LYS A 39 95.398 8.976 -5.252 1.00 1.00 C ATOM 598 NZ LYS A 39 94.449 9.461 -6.293 1.00 1.00 N ATOM 0 H LYS A 39 92.178 6.024 -4.534 1.00 1.00 H new ATOM 0 HA LYS A 39 93.577 3.385 -4.683 1.00 1.00 H new ATOM 0 HB2 LYS A 39 95.590 4.940 -5.005 1.00 1.00 H new ATOM 0 HB3 LYS A 39 94.406 4.972 -6.296 1.00 1.00 H new ATOM 0 HG2 LYS A 39 93.506 7.069 -5.600 1.00 1.00 H new ATOM 0 HG3 LYS A 39 94.130 6.908 -3.971 1.00 1.00 H new ATOM 0 HD2 LYS A 39 96.467 7.147 -4.820 1.00 1.00 H new ATOM 0 HD3 LYS A 39 95.873 7.251 -6.465 1.00 1.00 H new ATOM 0 HE2 LYS A 39 95.000 9.181 -4.258 1.00 1.00 H new ATOM 0 HE3 LYS A 39 96.346 9.508 -5.332 1.00 1.00 H new ATOM 0 HZ1 LYS A 39 94.525 10.495 -6.377 1.00 1.00 H new ATOM 0 HZ2 LYS A 39 94.681 9.021 -7.206 1.00 1.00 H new ATOM 0 HZ3 LYS A 39 93.478 9.206 -6.023 1.00 1.00 H new ATOM 612 N SER A 40 93.130 4.306 -1.991 1.00 1.00 N ATOM 613 CA SER A 40 93.498 4.385 -0.548 1.00 1.00 C ATOM 614 C SER A 40 92.754 3.299 0.232 1.00 1.00 C ATOM 615 O SER A 40 92.744 2.145 -0.148 1.00 1.00 O ATOM 616 CB SER A 40 93.114 5.761 -0.001 1.00 1.00 C ATOM 617 OG SER A 40 93.662 5.919 1.300 1.00 1.00 O ATOM 0 H SER A 40 92.154 4.077 -2.177 1.00 1.00 H new ATOM 0 HA SER A 40 94.572 4.236 -0.439 1.00 1.00 H new ATOM 0 HB2 SER A 40 93.485 6.544 -0.662 1.00 1.00 H new ATOM 0 HB3 SER A 40 92.029 5.861 0.034 1.00 1.00 H new ATOM 0 HG SER A 40 93.419 6.801 1.652 1.00 1.00 H new ATOM 623 N LYS A 41 92.131 3.661 1.324 1.00 1.00 N ATOM 624 CA LYS A 41 91.387 2.653 2.135 1.00 1.00 C ATOM 625 C LYS A 41 90.064 3.264 2.612 1.00 1.00 C ATOM 626 O LYS A 41 89.958 4.461 2.792 1.00 1.00 O ATOM 627 CB LYS A 41 92.235 2.255 3.351 1.00 1.00 C ATOM 628 CG LYS A 41 92.941 3.491 3.913 1.00 1.00 C ATOM 629 CD LYS A 41 94.360 3.570 3.348 1.00 1.00 C ATOM 630 CE LYS A 41 95.044 4.839 3.859 1.00 1.00 C ATOM 631 NZ LYS A 41 95.269 4.725 5.328 1.00 1.00 N ATOM 0 H LYS A 41 92.106 4.613 1.689 1.00 1.00 H new ATOM 0 HA LYS A 41 91.183 1.771 1.529 1.00 1.00 H new ATOM 0 HB2 LYS A 41 91.602 1.806 4.117 1.00 1.00 H new ATOM 0 HB3 LYS A 41 92.970 1.503 3.064 1.00 1.00 H new ATOM 0 HG2 LYS A 41 92.384 4.391 3.652 1.00 1.00 H new ATOM 0 HG3 LYS A 41 92.974 3.441 5.001 1.00 1.00 H new ATOM 0 HD2 LYS A 41 94.931 2.691 3.647 1.00 1.00 H new ATOM 0 HD3 LYS A 41 94.329 3.575 2.258 1.00 1.00 H new ATOM 0 HE2 LYS A 41 95.994 4.985 3.345 1.00 1.00 H new ATOM 0 HE3 LYS A 41 94.427 5.711 3.641 1.00 1.00 H new ATOM 0 HZ1 LYS A 41 95.960 5.441 5.630 1.00 1.00 H new ATOM 0 HZ2 LYS A 41 94.371 4.877 5.830 1.00 1.00 H new ATOM 0 HZ3 LYS A 41 95.634 3.777 5.551 1.00 1.00 H new ATOM 645 N PRO A 42 89.063 2.447 2.818 1.00 1.00 N ATOM 646 CA PRO A 42 87.724 2.918 3.284 1.00 1.00 C ATOM 647 C PRO A 42 87.784 3.501 4.702 1.00 1.00 C ATOM 648 O PRO A 42 88.725 3.270 5.435 1.00 1.00 O ATOM 649 CB PRO A 42 86.852 1.654 3.253 1.00 1.00 C ATOM 650 CG PRO A 42 87.807 0.508 3.297 1.00 1.00 C ATOM 651 CD PRO A 42 89.098 0.988 2.633 1.00 1.00 C ATOM 0 HA PRO A 42 87.335 3.721 2.657 1.00 1.00 H new ATOM 0 HB2 PRO A 42 86.169 1.628 4.102 1.00 1.00 H new ATOM 0 HB3 PRO A 42 86.241 1.621 2.351 1.00 1.00 H new ATOM 0 HG2 PRO A 42 87.993 0.198 4.325 1.00 1.00 H new ATOM 0 HG3 PRO A 42 87.400 -0.356 2.772 1.00 1.00 H new ATOM 0 HD2 PRO A 42 89.978 0.546 3.101 1.00 1.00 H new ATOM 0 HD3 PRO A 42 89.130 0.719 1.577 1.00 1.00 H new ATOM 659 N PRO A 43 86.785 4.253 5.082 1.00 1.00 N ATOM 660 CA PRO A 43 86.718 4.883 6.434 1.00 1.00 C ATOM 661 C PRO A 43 86.468 3.853 7.541 1.00 1.00 C ATOM 662 O PRO A 43 85.497 3.123 7.515 1.00 1.00 O ATOM 663 CB PRO A 43 85.538 5.855 6.325 1.00 1.00 C ATOM 664 CG PRO A 43 84.673 5.301 5.242 1.00 1.00 C ATOM 665 CD PRO A 43 85.606 4.583 4.265 1.00 1.00 C ATOM 0 HA PRO A 43 87.656 5.369 6.703 1.00 1.00 H new ATOM 0 HB2 PRO A 43 84.995 5.922 7.268 1.00 1.00 H new ATOM 0 HB3 PRO A 43 85.878 6.861 6.081 1.00 1.00 H new ATOM 0 HG2 PRO A 43 83.934 4.612 5.650 1.00 1.00 H new ATOM 0 HG3 PRO A 43 84.123 6.097 4.739 1.00 1.00 H new ATOM 0 HD2 PRO A 43 85.141 3.687 3.853 1.00 1.00 H new ATOM 0 HD3 PRO A 43 85.870 5.221 3.422 1.00 1.00 H new ATOM 673 N LYS A 44 87.339 3.790 8.513 1.00 1.00 N ATOM 674 CA LYS A 44 87.158 2.812 9.625 1.00 1.00 C ATOM 675 C LYS A 44 86.608 3.538 10.855 1.00 1.00 C ATOM 676 O LYS A 44 86.212 2.923 11.825 1.00 1.00 O ATOM 677 CB LYS A 44 88.508 2.177 9.972 1.00 1.00 C ATOM 678 CG LYS A 44 89.078 1.475 8.738 1.00 1.00 C ATOM 679 CD LYS A 44 88.455 0.084 8.608 1.00 1.00 C ATOM 680 CE LYS A 44 89.150 -0.684 7.481 1.00 1.00 C ATOM 681 NZ LYS A 44 90.618 -0.717 7.735 1.00 1.00 N ATOM 0 H LYS A 44 88.171 4.376 8.585 1.00 1.00 H new ATOM 0 HA LYS A 44 86.459 2.035 9.316 1.00 1.00 H new ATOM 0 HB2 LYS A 44 89.202 2.942 10.321 1.00 1.00 H new ATOM 0 HB3 LYS A 44 88.386 1.462 10.786 1.00 1.00 H new ATOM 0 HG2 LYS A 44 88.870 2.063 7.844 1.00 1.00 H new ATOM 0 HG3 LYS A 44 90.162 1.393 8.821 1.00 1.00 H new ATOM 0 HD2 LYS A 44 88.554 -0.460 9.548 1.00 1.00 H new ATOM 0 HD3 LYS A 44 87.388 0.170 8.400 1.00 1.00 H new ATOM 0 HE2 LYS A 44 88.757 -1.699 7.422 1.00 1.00 H new ATOM 0 HE3 LYS A 44 88.947 -0.207 6.522 1.00 1.00 H new ATOM 0 HZ1 LYS A 44 91.001 -1.637 7.439 1.00 1.00 H new ATOM 0 HZ2 LYS A 44 91.081 0.041 7.194 1.00 1.00 H new ATOM 0 HZ3 LYS A 44 90.798 -0.578 8.750 1.00 1.00 H new ATOM 695 N LYS A 45 86.582 4.842 10.823 1.00 1.00 N ATOM 696 CA LYS A 45 86.059 5.607 11.990 1.00 1.00 C ATOM 697 C LYS A 45 84.648 5.121 12.328 1.00 1.00 C ATOM 698 O LYS A 45 84.241 5.115 13.473 1.00 1.00 O ATOM 699 CB LYS A 45 86.016 7.098 11.646 1.00 1.00 C ATOM 700 CG LYS A 45 85.419 7.283 10.250 1.00 1.00 C ATOM 701 CD LYS A 45 85.143 8.768 10.004 1.00 1.00 C ATOM 702 CE LYS A 45 84.457 8.943 8.648 1.00 1.00 C ATOM 703 NZ LYS A 45 85.449 8.725 7.558 1.00 1.00 N ATOM 0 H LYS A 45 86.900 5.411 10.039 1.00 1.00 H new ATOM 0 HA LYS A 45 86.713 5.451 12.848 1.00 1.00 H new ATOM 0 HB2 LYS A 45 85.418 7.635 12.383 1.00 1.00 H new ATOM 0 HB3 LYS A 45 87.021 7.519 11.682 1.00 1.00 H new ATOM 0 HG2 LYS A 45 86.106 6.900 9.496 1.00 1.00 H new ATOM 0 HG3 LYS A 45 84.496 6.711 10.159 1.00 1.00 H new ATOM 0 HD2 LYS A 45 84.511 9.167 10.797 1.00 1.00 H new ATOM 0 HD3 LYS A 45 86.076 9.331 10.026 1.00 1.00 H new ATOM 0 HE2 LYS A 45 83.633 8.236 8.551 1.00 1.00 H new ATOM 0 HE3 LYS A 45 84.030 9.943 8.571 1.00 1.00 H new ATOM 0 HZ1 LYS A 45 84.953 8.441 6.689 1.00 1.00 H new ATOM 0 HZ2 LYS A 45 85.974 9.606 7.385 1.00 1.00 H new ATOM 0 HZ3 LYS A 45 86.114 7.976 7.838 1.00 1.00 H new ATOM 717 N GLY A 46 83.897 4.715 11.341 1.00 1.00 N ATOM 718 CA GLY A 46 82.513 4.231 11.608 1.00 1.00 C ATOM 719 C GLY A 46 81.758 5.273 12.435 1.00 1.00 C ATOM 720 O GLY A 46 81.265 4.989 13.508 1.00 1.00 O ATOM 0 H GLY A 46 84.182 4.698 10.362 1.00 1.00 H new ATOM 0 HA2 GLY A 46 81.992 4.050 10.668 1.00 1.00 H new ATOM 0 HA3 GLY A 46 82.545 3.281 12.142 1.00 1.00 H new ATOM 724 N VAL A 47 81.665 6.479 11.945 1.00 1.00 N ATOM 725 CA VAL A 47 80.945 7.538 12.701 1.00 1.00 C ATOM 726 C VAL A 47 79.440 7.260 12.660 1.00 1.00 C ATOM 727 O VAL A 47 78.666 7.880 13.361 1.00 1.00 O ATOM 728 CB VAL A 47 81.235 8.898 12.062 1.00 1.00 C ATOM 729 CG1 VAL A 47 80.923 8.837 10.566 1.00 1.00 C ATOM 730 CG2 VAL A 47 80.360 9.966 12.721 1.00 1.00 C ATOM 0 H VAL A 47 82.058 6.775 11.052 1.00 1.00 H new ATOM 0 HA VAL A 47 81.282 7.543 13.738 1.00 1.00 H new ATOM 0 HB VAL A 47 82.286 9.149 12.203 1.00 1.00 H new ATOM 0 HG11 VAL A 47 81.130 9.806 10.111 1.00 1.00 H new ATOM 0 HG12 VAL A 47 81.545 8.075 10.095 1.00 1.00 H new ATOM 0 HG13 VAL A 47 79.872 8.586 10.423 1.00 1.00 H new ATOM 0 HG21 VAL A 47 80.565 10.935 12.267 1.00 1.00 H new ATOM 0 HG22 VAL A 47 79.309 9.714 12.579 1.00 1.00 H new ATOM 0 HG23 VAL A 47 80.581 10.011 13.787 1.00 1.00 H new ATOM 740 N GLN A 48 79.021 6.332 11.844 1.00 1.00 N ATOM 741 CA GLN A 48 77.568 6.014 11.757 1.00 1.00 C ATOM 742 C GLN A 48 76.793 7.276 11.373 1.00 1.00 C ATOM 743 O GLN A 48 76.675 8.205 12.147 1.00 1.00 O ATOM 744 CB GLN A 48 77.076 5.501 13.113 1.00 1.00 C ATOM 745 CG GLN A 48 78.099 4.520 13.689 1.00 1.00 C ATOM 746 CD GLN A 48 77.476 3.763 14.864 1.00 1.00 C ATOM 747 OE1 GLN A 48 76.464 4.287 15.499 1.00 1.00 O flip ATOM 748 NE2 GLN A 48 77.915 2.684 15.207 1.00 1.00 N flip ATOM 0 H GLN A 48 79.623 5.780 11.233 1.00 1.00 H new ATOM 0 HA GLN A 48 77.407 5.246 11.000 1.00 1.00 H new ATOM 0 HB2 GLN A 48 76.931 6.336 13.799 1.00 1.00 H new ATOM 0 HB3 GLN A 48 76.110 5.010 12.999 1.00 1.00 H new ATOM 0 HG2 GLN A 48 78.419 3.818 12.919 1.00 1.00 H new ATOM 0 HG3 GLN A 48 78.988 5.057 14.019 1.00 1.00 H new ATOM 0 HE21 GLN A 48 78.706 2.274 14.711 1.00 1.00 H new ATOM 0 HE22 GLN A 48 77.492 2.188 15.991 1.00 1.00 H new ATOM 757 N GLY A 49 76.263 7.318 10.180 1.00 1.00 N ATOM 758 CA GLY A 49 75.497 8.520 9.742 1.00 1.00 C ATOM 759 C GLY A 49 76.428 9.468 8.983 1.00 1.00 C ATOM 760 O GLY A 49 76.593 10.615 9.347 1.00 1.00 O ATOM 0 H GLY A 49 76.328 6.570 9.489 1.00 1.00 H new ATOM 0 HA2 GLY A 49 74.665 8.222 9.104 1.00 1.00 H new ATOM 0 HA3 GLY A 49 75.070 9.027 10.607 1.00 1.00 H new ATOM 764 N CYS A 50 77.040 8.995 7.932 1.00 1.00 N ATOM 765 CA CYS A 50 77.962 9.867 7.151 1.00 1.00 C ATOM 766 C CYS A 50 77.200 11.094 6.646 1.00 1.00 C ATOM 767 O CYS A 50 77.467 12.210 7.044 1.00 1.00 O ATOM 768 CB CYS A 50 78.517 9.085 5.959 1.00 1.00 C ATOM 769 SG CYS A 50 79.037 7.440 6.507 1.00 1.00 S ATOM 0 H CYS A 50 76.941 8.043 7.581 1.00 1.00 H new ATOM 0 HA CYS A 50 78.785 10.188 7.790 1.00 1.00 H new ATOM 0 HB2 CYS A 50 77.758 8.998 5.182 1.00 1.00 H new ATOM 0 HB3 CYS A 50 79.361 9.618 5.522 1.00 1.00 H new ATOM 774 N GLY A 51 76.252 10.897 5.771 1.00 1.00 N ATOM 775 CA GLY A 51 75.475 12.053 5.241 1.00 1.00 C ATOM 776 C GLY A 51 76.433 13.077 4.632 1.00 1.00 C ATOM 777 O GLY A 51 76.337 14.261 4.889 1.00 1.00 O ATOM 0 H GLY A 51 75.982 9.986 5.400 1.00 1.00 H new ATOM 0 HA2 GLY A 51 74.764 11.712 4.488 1.00 1.00 H new ATOM 0 HA3 GLY A 51 74.896 12.513 6.042 1.00 1.00 H new ATOM 781 N ASP A 52 77.357 12.633 3.825 1.00 1.00 N ATOM 782 CA ASP A 52 78.320 13.583 3.200 1.00 1.00 C ATOM 783 C ASP A 52 77.649 14.282 2.016 1.00 1.00 C ATOM 784 O ASP A 52 77.539 15.492 1.977 1.00 1.00 O ATOM 785 CB ASP A 52 79.548 12.815 2.708 1.00 1.00 C ATOM 786 CG ASP A 52 80.199 12.085 3.884 1.00 1.00 C ATOM 787 OD1 ASP A 52 80.046 12.548 5.002 1.00 1.00 O ATOM 788 OD2 ASP A 52 80.840 11.074 3.647 1.00 1.00 O ATOM 0 H ASP A 52 77.487 11.654 3.571 1.00 1.00 H new ATOM 0 HA ASP A 52 78.627 14.326 3.936 1.00 1.00 H new ATOM 0 HB2 ASP A 52 79.258 12.100 1.938 1.00 1.00 H new ATOM 0 HB3 ASP A 52 80.261 13.502 2.253 1.00 1.00 H new ATOM 793 N ASP A 53 77.198 13.529 1.050 1.00 1.00 N ATOM 794 CA ASP A 53 76.533 14.147 -0.133 1.00 1.00 C ATOM 795 C ASP A 53 75.522 13.160 -0.719 1.00 1.00 C ATOM 796 O ASP A 53 75.739 12.584 -1.764 1.00 1.00 O ATOM 797 CB ASP A 53 77.587 14.486 -1.190 1.00 1.00 C ATOM 798 CG ASP A 53 76.908 15.131 -2.400 1.00 1.00 C ATOM 799 OD1 ASP A 53 75.916 15.813 -2.204 1.00 1.00 O ATOM 800 OD2 ASP A 53 77.393 14.931 -3.502 1.00 1.00 O ATOM 0 H ASP A 53 77.261 12.511 1.029 1.00 1.00 H new ATOM 0 HA ASP A 53 76.018 15.058 0.172 1.00 1.00 H new ATOM 0 HB2 ASP A 53 78.331 15.165 -0.772 1.00 1.00 H new ATOM 0 HB3 ASP A 53 78.115 13.583 -1.495 1.00 1.00 H new ATOM 805 N ILE A 54 74.417 12.964 -0.050 1.00 1.00 N ATOM 806 CA ILE A 54 73.385 12.014 -0.559 1.00 1.00 C ATOM 807 C ILE A 54 73.157 12.256 -2.059 1.00 1.00 C ATOM 808 O ILE A 54 72.541 13.230 -2.444 1.00 1.00 O ATOM 809 CB ILE A 54 72.078 12.251 0.203 1.00 1.00 C ATOM 810 CG1 ILE A 54 72.212 11.703 1.625 1.00 1.00 C ATOM 811 CG2 ILE A 54 70.932 11.534 -0.513 1.00 1.00 C ATOM 812 CD1 ILE A 54 71.069 12.238 2.489 1.00 1.00 C ATOM 0 H ILE A 54 74.184 13.423 0.831 1.00 1.00 H new ATOM 0 HA ILE A 54 73.721 10.988 -0.410 1.00 1.00 H new ATOM 0 HB ILE A 54 71.869 13.320 0.242 1.00 1.00 H new ATOM 0 HG12 ILE A 54 72.191 10.613 1.609 1.00 1.00 H new ATOM 0 HG13 ILE A 54 73.172 11.997 2.050 1.00 1.00 H new ATOM 0 HG21 ILE A 54 70.002 11.703 0.030 1.00 1.00 H new ATOM 0 HG22 ILE A 54 70.836 11.923 -1.527 1.00 1.00 H new ATOM 0 HG23 ILE A 54 71.140 10.465 -0.553 1.00 1.00 H new ATOM 0 HD11 ILE A 54 71.165 11.847 3.502 1.00 1.00 H new ATOM 0 HD12 ILE A 54 71.111 13.327 2.515 1.00 1.00 H new ATOM 0 HD13 ILE A 54 70.115 11.922 2.067 1.00 1.00 H new ATOM 824 N PRO A 55 73.652 11.381 -2.905 1.00 1.00 N ATOM 825 CA PRO A 55 73.498 11.512 -4.379 1.00 1.00 C ATOM 826 C PRO A 55 72.206 10.866 -4.899 1.00 1.00 C ATOM 827 O PRO A 55 72.171 10.321 -5.984 1.00 1.00 O ATOM 828 CB PRO A 55 74.718 10.762 -4.907 1.00 1.00 C ATOM 829 CG PRO A 55 74.952 9.672 -3.910 1.00 1.00 C ATOM 830 CD PRO A 55 74.420 10.174 -2.559 1.00 1.00 C ATOM 0 HA PRO A 55 73.434 12.553 -4.697 1.00 1.00 H new ATOM 0 HB2 PRO A 55 74.534 10.356 -5.902 1.00 1.00 H new ATOM 0 HB3 PRO A 55 75.584 11.419 -4.986 1.00 1.00 H new ATOM 0 HG2 PRO A 55 74.439 8.758 -4.211 1.00 1.00 H new ATOM 0 HG3 PRO A 55 76.013 9.434 -3.842 1.00 1.00 H new ATOM 0 HD2 PRO A 55 73.792 9.426 -2.075 1.00 1.00 H new ATOM 0 HD3 PRO A 55 75.233 10.402 -1.870 1.00 1.00 H new ATOM 838 N GLY A 56 71.147 10.920 -4.137 1.00 1.00 N ATOM 839 CA GLY A 56 69.869 10.303 -4.601 1.00 1.00 C ATOM 840 C GLY A 56 68.688 10.951 -3.877 1.00 1.00 C ATOM 841 O GLY A 56 67.666 11.234 -4.469 1.00 1.00 O ATOM 0 H GLY A 56 71.110 11.362 -3.218 1.00 1.00 H new ATOM 0 HA2 GLY A 56 69.762 10.432 -5.678 1.00 1.00 H new ATOM 0 HA3 GLY A 56 69.881 9.230 -4.408 1.00 1.00 H new ATOM 845 N MET A 57 68.819 11.183 -2.599 1.00 1.00 N ATOM 846 CA MET A 57 67.705 11.811 -1.831 1.00 1.00 C ATOM 847 C MET A 57 66.434 10.979 -2.006 1.00 1.00 C ATOM 848 O MET A 57 65.337 11.447 -1.773 1.00 1.00 O ATOM 849 CB MET A 57 67.459 13.233 -2.344 1.00 1.00 C ATOM 850 CG MET A 57 68.718 14.077 -2.136 1.00 1.00 C ATOM 851 SD MET A 57 69.930 13.680 -3.420 1.00 1.00 S ATOM 852 CE MET A 57 69.516 15.032 -4.549 1.00 1.00 C ATOM 0 H MET A 57 69.652 10.964 -2.052 1.00 1.00 H new ATOM 0 HA MET A 57 67.973 11.851 -0.775 1.00 1.00 H new ATOM 0 HB2 MET A 57 67.195 13.209 -3.401 1.00 1.00 H new ATOM 0 HB3 MET A 57 66.617 13.681 -1.816 1.00 1.00 H new ATOM 0 HG2 MET A 57 68.468 15.137 -2.172 1.00 1.00 H new ATOM 0 HG3 MET A 57 69.140 13.883 -1.150 1.00 1.00 H new ATOM 0 HE1 MET A 57 70.156 14.980 -5.430 1.00 1.00 H new ATOM 0 HE2 MET A 57 68.473 14.946 -4.853 1.00 1.00 H new ATOM 0 HE3 MET A 57 69.669 15.986 -4.045 1.00 1.00 H new ATOM 862 N GLU A 58 66.571 9.747 -2.414 1.00 1.00 N ATOM 863 CA GLU A 58 65.368 8.888 -2.603 1.00 1.00 C ATOM 864 C GLU A 58 64.922 8.323 -1.251 1.00 1.00 C ATOM 865 O GLU A 58 63.780 7.948 -1.072 1.00 1.00 O ATOM 866 CB GLU A 58 65.698 7.739 -3.565 1.00 1.00 C ATOM 867 CG GLU A 58 66.655 6.757 -2.887 1.00 1.00 C ATOM 868 CD GLU A 58 67.938 7.488 -2.485 1.00 1.00 C ATOM 869 OE1 GLU A 58 67.957 8.062 -1.409 1.00 1.00 O ATOM 870 OE2 GLU A 58 68.879 7.462 -3.261 1.00 1.00 O ATOM 0 H GLU A 58 67.463 9.299 -2.624 1.00 1.00 H new ATOM 0 HA GLU A 58 64.560 9.486 -3.026 1.00 1.00 H new ATOM 0 HB2 GLU A 58 64.783 7.225 -3.860 1.00 1.00 H new ATOM 0 HB3 GLU A 58 66.150 8.133 -4.475 1.00 1.00 H new ATOM 0 HG2 GLU A 58 66.182 6.321 -2.007 1.00 1.00 H new ATOM 0 HG3 GLU A 58 66.889 5.935 -3.564 1.00 1.00 H new ATOM 877 N GLY A 59 65.811 8.261 -0.297 1.00 1.00 N ATOM 878 CA GLY A 59 65.430 7.720 1.039 1.00 1.00 C ATOM 879 C GLY A 59 66.684 7.281 1.798 1.00 1.00 C ATOM 880 O GLY A 59 66.648 7.047 2.990 1.00 1.00 O ATOM 0 H GLY A 59 66.782 8.561 -0.384 1.00 1.00 H new ATOM 0 HA2 GLY A 59 64.896 8.479 1.610 1.00 1.00 H new ATOM 0 HA3 GLY A 59 64.752 6.875 0.919 1.00 1.00 H new ATOM 884 N CYS A 60 67.795 7.166 1.121 1.00 1.00 N ATOM 885 CA CYS A 60 69.046 6.742 1.811 1.00 1.00 C ATOM 886 C CYS A 60 69.217 7.555 3.097 1.00 1.00 C ATOM 887 O CYS A 60 69.210 8.769 3.081 1.00 1.00 O ATOM 888 CB CYS A 60 70.246 6.977 0.884 1.00 1.00 C ATOM 889 SG CYS A 60 71.680 7.484 1.865 1.00 1.00 S ATOM 0 H CYS A 60 67.890 7.347 0.122 1.00 1.00 H new ATOM 0 HA CYS A 60 68.987 5.682 2.059 1.00 1.00 H new ATOM 0 HB2 CYS A 60 70.475 6.066 0.331 1.00 1.00 H new ATOM 0 HB3 CYS A 60 70.006 7.745 0.149 1.00 1.00 H new ATOM 894 N GLY A 61 69.369 6.892 4.211 1.00 1.00 N ATOM 895 CA GLY A 61 69.540 7.624 5.498 1.00 1.00 C ATOM 896 C GLY A 61 69.079 6.736 6.654 1.00 1.00 C ATOM 897 O GLY A 61 69.315 7.031 7.809 1.00 1.00 O ATOM 0 H GLY A 61 69.382 5.875 4.285 1.00 1.00 H new ATOM 0 HA2 GLY A 61 70.585 7.903 5.634 1.00 1.00 H new ATOM 0 HA3 GLY A 61 68.963 8.548 5.483 1.00 1.00 H new ATOM 901 N THR A 62 68.421 5.649 6.354 1.00 1.00 N ATOM 902 CA THR A 62 67.943 4.742 7.436 1.00 1.00 C ATOM 903 C THR A 62 67.850 3.313 6.899 1.00 1.00 C ATOM 904 O THR A 62 68.172 2.361 7.581 1.00 1.00 O ATOM 905 CB THR A 62 66.561 5.197 7.912 1.00 1.00 C ATOM 906 OG1 THR A 62 65.706 5.360 6.790 1.00 1.00 O ATOM 907 CG2 THR A 62 66.688 6.527 8.657 1.00 1.00 C ATOM 0 H THR A 62 68.194 5.350 5.406 1.00 1.00 H new ATOM 0 HA THR A 62 68.643 4.773 8.271 1.00 1.00 H new ATOM 0 HB THR A 62 66.142 4.447 8.583 1.00 1.00 H new ATOM 0 HG1 THR A 62 64.820 5.650 7.093 1.00 1.00 H new ATOM 0 HG21 THR A 62 65.703 6.850 8.995 1.00 1.00 H new ATOM 0 HG22 THR A 62 67.344 6.400 9.518 1.00 1.00 H new ATOM 0 HG23 THR A 62 67.107 7.280 7.989 1.00 1.00 H new ATOM 915 N ASP A 63 67.411 3.155 5.680 1.00 1.00 N ATOM 916 CA ASP A 63 67.298 1.787 5.102 1.00 1.00 C ATOM 917 C ASP A 63 68.619 1.039 5.297 1.00 1.00 C ATOM 918 O ASP A 63 68.710 -0.150 5.065 1.00 1.00 O ATOM 919 CB ASP A 63 66.986 1.891 3.607 1.00 1.00 C ATOM 920 CG ASP A 63 68.099 2.672 2.906 1.00 1.00 C ATOM 921 OD1 ASP A 63 68.732 3.481 3.563 1.00 1.00 O ATOM 922 OD2 ASP A 63 68.298 2.448 1.723 1.00 1.00 O ATOM 0 H ASP A 63 67.126 3.914 5.060 1.00 1.00 H new ATOM 0 HA ASP A 63 66.497 1.245 5.604 1.00 1.00 H new ATOM 0 HB2 ASP A 63 66.897 0.895 3.173 1.00 1.00 H new ATOM 0 HB3 ASP A 63 66.028 2.390 3.458 1.00 1.00 H new ATOM 927 N ILE A 64 69.644 1.726 5.723 1.00 1.00 N ATOM 928 CA ILE A 64 70.958 1.053 5.935 1.00 1.00 C ATOM 929 C ILE A 64 70.987 0.415 7.322 1.00 1.00 C ATOM 930 O ILE A 64 71.004 -0.790 7.464 1.00 1.00 O ATOM 931 CB ILE A 64 72.083 2.084 5.845 1.00 1.00 C ATOM 932 CG1 ILE A 64 71.933 2.889 4.552 1.00 1.00 C ATOM 933 CG2 ILE A 64 73.434 1.367 5.844 1.00 1.00 C ATOM 934 CD1 ILE A 64 72.995 3.990 4.510 1.00 1.00 C ATOM 0 H ILE A 64 69.629 2.724 5.933 1.00 1.00 H new ATOM 0 HA ILE A 64 71.094 0.288 5.171 1.00 1.00 H new ATOM 0 HB ILE A 64 72.029 2.756 6.701 1.00 1.00 H new ATOM 0 HG12 ILE A 64 72.040 2.233 3.688 1.00 1.00 H new ATOM 0 HG13 ILE A 64 70.937 3.328 4.498 1.00 1.00 H new ATOM 0 HG21 ILE A 64 74.236 2.102 5.780 1.00 1.00 H new ATOM 0 HG22 ILE A 64 73.541 0.792 6.764 1.00 1.00 H new ATOM 0 HG23 ILE A 64 73.489 0.695 4.988 1.00 1.00 H new ATOM 0 HD11 ILE A 64 72.888 4.563 3.589 1.00 1.00 H new ATOM 0 HD12 ILE A 64 72.867 4.652 5.367 1.00 1.00 H new ATOM 0 HD13 ILE A 64 73.987 3.540 4.544 1.00 1.00 H new ATOM 946 N THR A 65 71.005 1.227 8.342 1.00 1.00 N ATOM 947 CA THR A 65 71.046 0.697 9.733 1.00 1.00 C ATOM 948 C THR A 65 72.462 0.207 10.039 1.00 1.00 C ATOM 949 O THR A 65 72.684 -0.958 10.299 1.00 1.00 O ATOM 950 CB THR A 65 70.047 -0.458 9.885 1.00 1.00 C ATOM 951 OG1 THR A 65 68.919 -0.218 9.056 1.00 1.00 O ATOM 952 CG2 THR A 65 69.598 -0.559 11.344 1.00 1.00 C ATOM 0 H THR A 65 70.993 2.244 8.270 1.00 1.00 H new ATOM 0 HA THR A 65 70.773 1.487 10.433 1.00 1.00 H new ATOM 0 HB THR A 65 70.524 -1.392 9.589 1.00 1.00 H new ATOM 0 HG1 THR A 65 68.281 -0.955 9.151 1.00 1.00 H new ATOM 0 HG21 THR A 65 68.889 -1.380 11.450 1.00 1.00 H new ATOM 0 HG22 THR A 65 70.464 -0.744 11.979 1.00 1.00 H new ATOM 0 HG23 THR A 65 69.121 0.374 11.643 1.00 1.00 H new ATOM 960 N VAL A 66 73.419 1.096 10.004 1.00 1.00 N ATOM 961 CA VAL A 66 74.830 0.702 10.283 1.00 1.00 C ATOM 962 C VAL A 66 75.289 -0.315 9.239 1.00 1.00 C ATOM 963 O VAL A 66 76.137 -0.034 8.416 1.00 1.00 O ATOM 964 CB VAL A 66 74.934 0.087 11.682 1.00 1.00 C ATOM 965 CG1 VAL A 66 76.404 0.004 12.096 1.00 1.00 C ATOM 966 CG2 VAL A 66 74.173 0.962 12.680 1.00 1.00 C ATOM 0 H VAL A 66 73.282 2.084 9.793 1.00 1.00 H new ATOM 0 HA VAL A 66 75.466 1.586 10.236 1.00 1.00 H new ATOM 0 HB VAL A 66 74.503 -0.914 11.671 1.00 1.00 H new ATOM 0 HG11 VAL A 66 76.477 -0.434 13.092 1.00 1.00 H new ATOM 0 HG12 VAL A 66 76.948 -0.618 11.385 1.00 1.00 H new ATOM 0 HG13 VAL A 66 76.836 1.005 12.107 1.00 1.00 H new ATOM 0 HG21 VAL A 66 74.246 0.526 13.676 1.00 1.00 H new ATOM 0 HG22 VAL A 66 74.605 1.963 12.690 1.00 1.00 H new ATOM 0 HG23 VAL A 66 73.125 1.022 12.386 1.00 1.00 H new ATOM 976 N ILE A 67 74.730 -1.493 9.263 1.00 1.00 N ATOM 977 CA ILE A 67 75.120 -2.533 8.271 1.00 1.00 C ATOM 978 C ILE A 67 73.850 -3.195 7.724 1.00 1.00 C ATOM 979 O ILE A 67 73.202 -3.981 8.386 1.00 1.00 O ATOM 980 CB ILE A 67 76.040 -3.564 8.949 1.00 1.00 C ATOM 981 CG1 ILE A 67 76.804 -4.345 7.878 1.00 1.00 C ATOM 982 CG2 ILE A 67 75.197 -4.533 9.780 1.00 1.00 C ATOM 983 CD1 ILE A 67 78.001 -5.053 8.517 1.00 1.00 C ATOM 0 H ILE A 67 74.015 -1.781 9.931 1.00 1.00 H new ATOM 0 HA ILE A 67 75.666 -2.086 7.440 1.00 1.00 H new ATOM 0 HB ILE A 67 76.747 -3.048 9.599 1.00 1.00 H new ATOM 0 HG12 ILE A 67 76.146 -5.075 7.406 1.00 1.00 H new ATOM 0 HG13 ILE A 67 77.144 -3.669 7.094 1.00 1.00 H new ATOM 0 HG21 ILE A 67 75.849 -5.263 10.260 1.00 1.00 H new ATOM 0 HG22 ILE A 67 74.650 -3.978 10.542 1.00 1.00 H new ATOM 0 HG23 ILE A 67 74.490 -5.049 9.131 1.00 1.00 H new ATOM 0 HD11 ILE A 67 78.545 -5.609 7.753 1.00 1.00 H new ATOM 0 HD12 ILE A 67 78.663 -4.314 8.968 1.00 1.00 H new ATOM 0 HD13 ILE A 67 77.649 -5.741 9.285 1.00 1.00 H new ATOM 995 N CYS A 68 73.474 -2.860 6.523 1.00 1.00 N ATOM 996 CA CYS A 68 72.237 -3.452 5.939 1.00 1.00 C ATOM 997 C CYS A 68 72.439 -4.959 5.740 1.00 1.00 C ATOM 998 O CYS A 68 73.523 -5.411 5.432 1.00 1.00 O ATOM 999 CB CYS A 68 71.942 -2.779 4.593 1.00 1.00 C ATOM 1000 SG CYS A 68 71.182 -3.977 3.468 1.00 1.00 S ATOM 0 H CYS A 68 73.968 -2.203 5.920 1.00 1.00 H new ATOM 0 HA CYS A 68 71.395 -3.291 6.613 1.00 1.00 H new ATOM 0 HB2 CYS A 68 71.276 -1.928 4.739 1.00 1.00 H new ATOM 0 HB3 CYS A 68 72.864 -2.391 4.159 1.00 1.00 H new ATOM 1005 N PRO A 69 71.397 -5.735 5.922 1.00 1.00 N ATOM 1006 CA PRO A 69 71.452 -7.215 5.767 1.00 1.00 C ATOM 1007 C PRO A 69 72.376 -7.659 4.629 1.00 1.00 C ATOM 1008 O PRO A 69 73.169 -8.567 4.781 1.00 1.00 O ATOM 1009 CB PRO A 69 70.002 -7.583 5.459 1.00 1.00 C ATOM 1010 CG PRO A 69 69.181 -6.550 6.162 1.00 1.00 C ATOM 1011 CD PRO A 69 70.044 -5.288 6.291 1.00 1.00 C ATOM 0 HA PRO A 69 71.856 -7.703 6.654 1.00 1.00 H new ATOM 0 HB2 PRO A 69 69.812 -7.574 4.386 1.00 1.00 H new ATOM 0 HB3 PRO A 69 69.765 -8.585 5.816 1.00 1.00 H new ATOM 0 HG2 PRO A 69 68.271 -6.337 5.602 1.00 1.00 H new ATOM 0 HG3 PRO A 69 68.874 -6.907 7.145 1.00 1.00 H new ATOM 0 HD2 PRO A 69 69.692 -4.496 5.630 1.00 1.00 H new ATOM 0 HD3 PRO A 69 70.019 -4.891 7.306 1.00 1.00 H new ATOM 1019 N TRP A 70 72.280 -7.032 3.491 1.00 1.00 N ATOM 1020 CA TRP A 70 73.152 -7.428 2.350 1.00 1.00 C ATOM 1021 C TRP A 70 74.610 -7.083 2.676 1.00 1.00 C ATOM 1022 O TRP A 70 75.461 -7.073 1.809 1.00 1.00 O ATOM 1023 CB TRP A 70 72.710 -6.679 1.085 1.00 1.00 C ATOM 1024 CG TRP A 70 71.805 -7.554 0.278 1.00 1.00 C ATOM 1025 CD1 TRP A 70 72.215 -8.547 -0.544 1.00 1.00 C ATOM 1026 CD2 TRP A 70 70.350 -7.534 0.201 1.00 1.00 C ATOM 1027 NE1 TRP A 70 71.106 -9.138 -1.120 1.00 1.00 N ATOM 1028 CE2 TRP A 70 69.933 -8.549 -0.694 1.00 1.00 C ATOM 1029 CE3 TRP A 70 69.362 -6.743 0.813 1.00 1.00 C ATOM 1030 CZ2 TRP A 70 68.581 -8.770 -0.970 1.00 1.00 C ATOM 1031 CZ3 TRP A 70 68.004 -6.961 0.538 1.00 1.00 C ATOM 1032 CH2 TRP A 70 67.613 -7.972 -0.351 1.00 1.00 C ATOM 0 HA TRP A 70 73.067 -8.501 2.181 1.00 1.00 H new ATOM 0 HB2 TRP A 70 72.195 -5.757 1.356 1.00 1.00 H new ATOM 0 HB3 TRP A 70 73.581 -6.396 0.494 1.00 1.00 H new ATOM 0 HD1 TRP A 70 73.242 -8.832 -0.721 1.00 1.00 H new ATOM 0 HE1 TRP A 70 71.149 -9.915 -1.780 1.00 1.00 H new ATOM 0 HE3 TRP A 70 69.651 -5.961 1.500 1.00 1.00 H new ATOM 0 HZ2 TRP A 70 68.286 -9.551 -1.656 1.00 1.00 H new ATOM 0 HZ3 TRP A 70 67.255 -6.346 1.014 1.00 1.00 H new ATOM 0 HH2 TRP A 70 66.566 -8.135 -0.558 1.00 1.00 H new ATOM 1043 N GLU A 71 74.906 -6.803 3.917 1.00 1.00 N ATOM 1044 CA GLU A 71 76.308 -6.465 4.292 1.00 1.00 C ATOM 1045 C GLU A 71 76.600 -7.005 5.692 1.00 1.00 C ATOM 1046 O GLU A 71 77.615 -6.702 6.285 1.00 1.00 O ATOM 1047 CB GLU A 71 76.488 -4.945 4.283 1.00 1.00 C ATOM 1048 CG GLU A 71 75.794 -4.357 3.053 1.00 1.00 C ATOM 1049 CD GLU A 71 76.078 -2.855 2.975 1.00 1.00 C ATOM 1050 OE1 GLU A 71 76.891 -2.385 3.754 1.00 1.00 O ATOM 1051 OE2 GLU A 71 75.477 -2.201 2.139 1.00 1.00 O ATOM 0 HA GLU A 71 76.996 -6.914 3.576 1.00 1.00 H new ATOM 0 HB2 GLU A 71 76.069 -4.513 5.192 1.00 1.00 H new ATOM 0 HB3 GLU A 71 77.549 -4.694 4.270 1.00 1.00 H new ATOM 0 HG2 GLU A 71 76.150 -4.852 2.150 1.00 1.00 H new ATOM 0 HG3 GLU A 71 74.720 -4.532 3.110 1.00 1.00 H new ATOM 1058 N ALA A 72 75.717 -7.804 6.226 1.00 1.00 N ATOM 1059 CA ALA A 72 75.942 -8.361 7.589 1.00 1.00 C ATOM 1060 C ALA A 72 77.100 -9.360 7.555 1.00 1.00 C ATOM 1061 O ALA A 72 77.086 -10.363 8.240 1.00 1.00 O ATOM 1062 CB ALA A 72 74.674 -9.070 8.066 1.00 1.00 C ATOM 0 HA ALA A 72 76.186 -7.548 8.273 1.00 1.00 H new ATOM 0 HB1 ALA A 72 74.838 -9.478 9.063 1.00 1.00 H new ATOM 0 HB2 ALA A 72 73.849 -8.358 8.096 1.00 1.00 H new ATOM 0 HB3 ALA A 72 74.430 -9.880 7.379 1.00 1.00 H new ATOM 1068 N CYS A 73 78.106 -9.096 6.767 1.00 1.00 N ATOM 1069 CA CYS A 73 79.262 -10.033 6.698 1.00 1.00 C ATOM 1070 C CYS A 73 79.970 -10.064 8.054 1.00 1.00 C ATOM 1071 O CYS A 73 80.216 -11.114 8.611 1.00 1.00 O ATOM 1072 CB CYS A 73 80.241 -9.558 5.623 1.00 1.00 C ATOM 1073 SG CYS A 73 80.699 -7.836 5.942 1.00 1.00 S ATOM 0 H CYS A 73 78.177 -8.273 6.169 1.00 1.00 H new ATOM 0 HA CYS A 73 78.907 -11.033 6.448 1.00 1.00 H new ATOM 0 HB2 CYS A 73 81.131 -10.188 5.622 1.00 1.00 H new ATOM 0 HB3 CYS A 73 79.786 -9.648 4.637 1.00 1.00 H new ATOM 1078 N ASN A 74 80.293 -8.914 8.587 1.00 1.00 N ATOM 1079 CA ASN A 74 80.984 -8.853 9.911 1.00 1.00 C ATOM 1080 C ASN A 74 81.608 -7.461 10.081 1.00 1.00 C ATOM 1081 O ASN A 74 82.810 -7.295 10.018 1.00 1.00 O ATOM 1082 CB ASN A 74 82.086 -9.928 9.982 1.00 1.00 C ATOM 1083 CG ASN A 74 81.582 -11.126 10.789 1.00 1.00 C ATOM 1084 OD1 ASN A 74 80.297 -11.301 10.940 1.00 1.00 O flip ATOM 1085 ND2 ASN A 74 82.364 -11.910 11.288 1.00 1.00 N flip ATOM 0 H ASN A 74 80.106 -8.007 8.159 1.00 1.00 H new ATOM 0 HA ASN A 74 80.263 -9.037 10.708 1.00 1.00 H new ATOM 0 HB2 ASN A 74 82.365 -10.245 8.977 1.00 1.00 H new ATOM 0 HB3 ASN A 74 82.982 -9.515 10.446 1.00 1.00 H new ATOM 0 HD21 ASN A 74 83.368 -11.774 11.170 1.00 1.00 H new ATOM 0 HD22 ASN A 74 82.017 -12.705 11.825 1.00 1.00 H new ATOM 1092 N HIS A 75 80.797 -6.459 10.293 1.00 1.00 N ATOM 1093 CA HIS A 75 81.342 -5.081 10.464 1.00 1.00 C ATOM 1094 C HIS A 75 82.381 -4.803 9.374 1.00 1.00 C ATOM 1095 O HIS A 75 83.400 -4.188 9.621 1.00 1.00 O ATOM 1096 CB HIS A 75 82.001 -4.961 11.841 1.00 1.00 C ATOM 1097 CG HIS A 75 82.166 -3.508 12.194 1.00 1.00 C ATOM 1098 ND1 HIS A 75 81.088 -2.638 12.268 1.00 1.00 N ATOM 1099 CD2 HIS A 75 83.277 -2.758 12.497 1.00 1.00 C ATOM 1100 CE1 HIS A 75 81.566 -1.426 12.603 1.00 1.00 C ATOM 1101 NE2 HIS A 75 82.892 -1.446 12.754 1.00 1.00 N ATOM 0 H HIS A 75 79.782 -6.535 10.355 1.00 1.00 H new ATOM 0 HA HIS A 75 80.531 -4.357 10.385 1.00 1.00 H new ATOM 0 HB2 HIS A 75 81.391 -5.462 12.593 1.00 1.00 H new ATOM 0 HB3 HIS A 75 82.971 -5.457 11.836 1.00 1.00 H new ATOM 0 HD2 HIS A 75 84.291 -3.129 12.530 1.00 1.00 H new ATOM 0 HE1 HIS A 75 80.953 -0.546 12.734 1.00 1.00 H new ATOM 0 HE2 HIS A 75 83.496 -0.664 13.005 1.00 1.00 H new ATOM 1110 N CYS A 76 82.127 -5.254 8.171 1.00 1.00 N ATOM 1111 CA CYS A 76 83.091 -5.028 7.053 1.00 1.00 C ATOM 1112 C CYS A 76 84.525 -5.105 7.581 1.00 1.00 C ATOM 1113 O CYS A 76 85.152 -4.101 7.854 1.00 1.00 O ATOM 1114 CB CYS A 76 82.846 -3.649 6.434 1.00 1.00 C ATOM 1115 SG CYS A 76 82.689 -2.414 7.748 1.00 1.00 S ATOM 0 H CYS A 76 81.287 -5.773 7.915 1.00 1.00 H new ATOM 0 HA CYS A 76 82.946 -5.797 6.294 1.00 1.00 H new ATOM 0 HB2 CYS A 76 83.669 -3.386 5.770 1.00 1.00 H new ATOM 0 HB3 CYS A 76 81.940 -3.667 5.828 1.00 1.00 H new ATOM 1120 N GLU A 77 85.048 -6.292 7.728 1.00 1.00 N ATOM 1121 CA GLU A 77 86.440 -6.438 8.239 1.00 1.00 C ATOM 1122 C GLU A 77 87.432 -6.000 7.160 1.00 1.00 C ATOM 1123 O GLU A 77 88.063 -4.967 7.266 1.00 1.00 O ATOM 1124 CB GLU A 77 86.697 -7.902 8.603 1.00 1.00 C ATOM 1125 CG GLU A 77 88.138 -8.062 9.093 1.00 1.00 C ATOM 1126 CD GLU A 77 88.328 -9.464 9.673 1.00 1.00 C ATOM 1127 OE1 GLU A 77 87.360 -10.013 10.173 1.00 1.00 O ATOM 1128 OE2 GLU A 77 89.438 -9.966 9.607 1.00 1.00 O ATOM 0 H GLU A 77 84.570 -7.168 7.516 1.00 1.00 H new ATOM 0 HA GLU A 77 86.569 -5.814 9.123 1.00 1.00 H new ATOM 0 HB2 GLU A 77 86.001 -8.223 9.378 1.00 1.00 H new ATOM 0 HB3 GLU A 77 86.524 -8.539 7.736 1.00 1.00 H new ATOM 0 HG2 GLU A 77 88.833 -7.901 8.269 1.00 1.00 H new ATOM 0 HG3 GLU A 77 88.361 -7.310 9.850 1.00 1.00 H new ATOM 1135 N LEU A 78 87.577 -6.782 6.122 1.00 1.00 N ATOM 1136 CA LEU A 78 88.532 -6.420 5.031 1.00 1.00 C ATOM 1137 C LEU A 78 87.868 -6.680 3.675 1.00 1.00 C ATOM 1138 O LEU A 78 86.833 -7.310 3.590 1.00 1.00 O ATOM 1139 CB LEU A 78 89.799 -7.285 5.165 1.00 1.00 C ATOM 1140 CG LEU A 78 91.022 -6.384 5.347 1.00 1.00 C ATOM 1141 CD1 LEU A 78 91.196 -5.502 4.110 1.00 1.00 C ATOM 1142 CD2 LEU A 78 90.822 -5.499 6.580 1.00 1.00 C ATOM 0 H LEU A 78 87.074 -7.658 5.982 1.00 1.00 H new ATOM 0 HA LEU A 78 88.802 -5.367 5.105 1.00 1.00 H new ATOM 0 HB2 LEU A 78 89.702 -7.959 6.016 1.00 1.00 H new ATOM 0 HB3 LEU A 78 89.922 -7.907 4.278 1.00 1.00 H new ATOM 0 HG LEU A 78 91.911 -7.000 5.480 1.00 1.00 H new ATOM 0 HD11 LEU A 78 92.067 -4.860 4.240 1.00 1.00 H new ATOM 0 HD12 LEU A 78 91.337 -6.131 3.231 1.00 1.00 H new ATOM 0 HD13 LEU A 78 90.308 -4.885 3.975 1.00 1.00 H new ATOM 0 HD21 LEU A 78 91.692 -4.856 6.712 1.00 1.00 H new ATOM 0 HD22 LEU A 78 89.933 -4.883 6.445 1.00 1.00 H new ATOM 0 HD23 LEU A 78 90.698 -6.127 7.462 1.00 1.00 H new ATOM 1154 N HIS A 79 88.458 -6.202 2.612 1.00 1.00 N ATOM 1155 CA HIS A 79 87.864 -6.425 1.263 1.00 1.00 C ATOM 1156 C HIS A 79 88.503 -7.661 0.629 1.00 1.00 C ATOM 1157 O HIS A 79 89.001 -7.615 -0.478 1.00 1.00 O ATOM 1158 CB HIS A 79 88.131 -5.207 0.378 1.00 1.00 C ATOM 1159 CG HIS A 79 87.521 -5.429 -0.979 1.00 1.00 C ATOM 1160 ND1 HIS A 79 86.541 -6.384 -1.201 1.00 1.00 N ATOM 1161 CD2 HIS A 79 87.742 -4.827 -2.194 1.00 1.00 C ATOM 1162 CE1 HIS A 79 86.209 -6.332 -2.504 1.00 1.00 C ATOM 1163 NE2 HIS A 79 86.912 -5.401 -3.152 1.00 1.00 N ATOM 0 H HIS A 79 89.326 -5.667 2.620 1.00 1.00 H new ATOM 0 HA HIS A 79 86.789 -6.575 1.359 1.00 1.00 H new ATOM 0 HB2 HIS A 79 87.709 -4.312 0.836 1.00 1.00 H new ATOM 0 HB3 HIS A 79 89.204 -5.041 0.283 1.00 1.00 H new ATOM 0 HD2 HIS A 79 88.450 -4.032 -2.377 1.00 1.00 H new ATOM 0 HE1 HIS A 79 85.466 -6.965 -2.967 1.00 1.00 H new ATOM 0 HE2 HIS A 79 86.853 -5.161 -4.142 1.00 1.00 H new ATOM 1172 N GLU A 80 88.496 -8.766 1.327 1.00 1.00 N ATOM 1173 CA GLU A 80 89.106 -10.010 0.773 1.00 1.00 C ATOM 1174 C GLU A 80 88.138 -11.180 0.958 1.00 1.00 C ATOM 1175 O GLU A 80 87.890 -11.942 0.046 1.00 1.00 O ATOM 1176 CB GLU A 80 90.412 -10.307 1.513 1.00 1.00 C ATOM 1177 CG GLU A 80 91.450 -9.237 1.168 1.00 1.00 C ATOM 1178 CD GLU A 80 92.828 -9.686 1.657 1.00 1.00 C ATOM 1179 OE1 GLU A 80 93.337 -10.658 1.124 1.00 1.00 O ATOM 1180 OE2 GLU A 80 93.351 -9.050 2.557 1.00 1.00 O ATOM 0 H GLU A 80 88.093 -8.861 2.259 1.00 1.00 H new ATOM 0 HA GLU A 80 89.311 -9.874 -0.289 1.00 1.00 H new ATOM 0 HB2 GLU A 80 90.237 -10.325 2.589 1.00 1.00 H new ATOM 0 HB3 GLU A 80 90.784 -11.293 1.234 1.00 1.00 H new ATOM 0 HG2 GLU A 80 91.471 -9.070 0.091 1.00 1.00 H new ATOM 0 HG3 GLU A 80 91.179 -8.289 1.632 1.00 1.00 H new ATOM 1187 N LEU A 81 87.588 -11.329 2.133 1.00 1.00 N ATOM 1188 CA LEU A 81 86.638 -12.452 2.367 1.00 1.00 C ATOM 1189 C LEU A 81 85.456 -12.330 1.403 1.00 1.00 C ATOM 1190 O LEU A 81 84.566 -13.157 1.390 1.00 1.00 O ATOM 1191 CB LEU A 81 86.135 -12.417 3.818 1.00 1.00 C ATOM 1192 CG LEU A 81 85.316 -11.146 4.052 1.00 1.00 C ATOM 1193 CD1 LEU A 81 84.640 -11.219 5.422 1.00 1.00 C ATOM 1194 CD2 LEU A 81 86.242 -9.929 4.005 1.00 1.00 C ATOM 0 H LEU A 81 87.755 -10.724 2.937 1.00 1.00 H new ATOM 0 HA LEU A 81 87.149 -13.399 2.193 1.00 1.00 H new ATOM 0 HB2 LEU A 81 85.525 -13.297 4.022 1.00 1.00 H new ATOM 0 HB3 LEU A 81 86.980 -12.448 4.506 1.00 1.00 H new ATOM 0 HG LEU A 81 84.555 -11.056 3.277 1.00 1.00 H new ATOM 0 HD11 LEU A 81 84.057 -10.313 5.589 1.00 1.00 H new ATOM 0 HD12 LEU A 81 83.981 -12.087 5.457 1.00 1.00 H new ATOM 0 HD13 LEU A 81 85.400 -11.309 6.198 1.00 1.00 H new ATOM 0 HD21 LEU A 81 85.660 -9.022 4.172 1.00 1.00 H new ATOM 0 HD22 LEU A 81 87.002 -10.020 4.781 1.00 1.00 H new ATOM 0 HD23 LEU A 81 86.724 -9.876 3.029 1.00 1.00 H new ATOM 1206 N ALA A 82 85.440 -11.306 0.594 1.00 1.00 N ATOM 1207 CA ALA A 82 84.316 -11.135 -0.370 1.00 1.00 C ATOM 1208 C ALA A 82 84.081 -12.449 -1.116 1.00 1.00 C ATOM 1209 O ALA A 82 82.965 -12.790 -1.456 1.00 1.00 O ATOM 1210 CB ALA A 82 84.665 -10.033 -1.373 1.00 1.00 C ATOM 0 H ALA A 82 86.156 -10.581 0.559 1.00 1.00 H new ATOM 0 HA ALA A 82 83.412 -10.858 0.172 1.00 1.00 H new ATOM 0 HB1 ALA A 82 83.843 -9.909 -2.078 1.00 1.00 H new ATOM 0 HB2 ALA A 82 84.832 -9.096 -0.841 1.00 1.00 H new ATOM 0 HB3 ALA A 82 85.569 -10.308 -1.916 1.00 1.00 H new ATOM 1216 N GLN A 83 85.123 -13.192 -1.372 1.00 1.00 N ATOM 1217 CA GLN A 83 84.955 -14.484 -2.093 1.00 1.00 C ATOM 1218 C GLN A 83 83.854 -15.297 -1.411 1.00 1.00 C ATOM 1219 O GLN A 83 83.187 -16.102 -2.030 1.00 1.00 O ATOM 1220 CB GLN A 83 86.271 -15.263 -2.057 1.00 1.00 C ATOM 1221 CG GLN A 83 87.404 -14.374 -2.573 1.00 1.00 C ATOM 1222 CD GLN A 83 88.638 -15.232 -2.859 1.00 1.00 C ATOM 1223 OE1 GLN A 83 88.560 -16.206 -3.582 1.00 1.00 O ATOM 1224 NE2 GLN A 83 89.781 -14.911 -2.319 1.00 1.00 N ATOM 0 H GLN A 83 86.082 -12.960 -1.113 1.00 1.00 H new ATOM 0 HA GLN A 83 84.680 -14.295 -3.131 1.00 1.00 H new ATOM 0 HB2 GLN A 83 86.485 -15.589 -1.039 1.00 1.00 H new ATOM 0 HB3 GLN A 83 86.191 -16.161 -2.670 1.00 1.00 H new ATOM 0 HG2 GLN A 83 87.090 -13.857 -3.480 1.00 1.00 H new ATOM 0 HG3 GLN A 83 87.644 -13.608 -1.836 1.00 1.00 H new ATOM 0 HE21 GLN A 83 89.847 -14.094 -1.712 1.00 1.00 H new ATOM 0 HE22 GLN A 83 90.609 -15.477 -2.503 1.00 1.00 H new ATOM 1233 N TYR A 84 83.654 -15.086 -0.138 1.00 1.00 N ATOM 1234 CA TYR A 84 82.589 -15.838 0.584 1.00 1.00 C ATOM 1235 C TYR A 84 81.231 -15.211 0.263 1.00 1.00 C ATOM 1236 O TYR A 84 80.252 -15.900 0.055 1.00 1.00 O ATOM 1237 CB TYR A 84 82.843 -15.765 2.092 1.00 1.00 C ATOM 1238 CG TYR A 84 81.848 -16.640 2.815 1.00 1.00 C ATOM 1239 CD1 TYR A 84 82.083 -18.015 2.937 1.00 1.00 C ATOM 1240 CD2 TYR A 84 80.689 -16.077 3.363 1.00 1.00 C ATOM 1241 CE1 TYR A 84 81.160 -18.826 3.608 1.00 1.00 C ATOM 1242 CE2 TYR A 84 79.766 -16.889 4.034 1.00 1.00 C ATOM 1243 CZ TYR A 84 80.002 -18.263 4.156 1.00 1.00 C ATOM 1244 OH TYR A 84 79.092 -19.063 4.817 1.00 1.00 O ATOM 0 H TYR A 84 84.182 -14.426 0.433 1.00 1.00 H new ATOM 0 HA TYR A 84 82.597 -16.881 0.269 1.00 1.00 H new ATOM 0 HB2 TYR A 84 83.859 -16.090 2.316 1.00 1.00 H new ATOM 0 HB3 TYR A 84 82.755 -14.735 2.437 1.00 1.00 H new ATOM 0 HD1 TYR A 84 82.976 -18.450 2.513 1.00 1.00 H new ATOM 0 HD2 TYR A 84 80.507 -15.017 3.268 1.00 1.00 H new ATOM 0 HE1 TYR A 84 81.342 -19.886 3.703 1.00 1.00 H new ATOM 0 HE2 TYR A 84 78.872 -16.455 4.457 1.00 1.00 H new ATOM 0 HH TYR A 84 78.346 -18.514 5.137 1.00 1.00 H new ATOM 1254 N GLY A 85 81.167 -13.908 0.215 1.00 1.00 N ATOM 1255 CA GLY A 85 79.876 -13.234 -0.100 1.00 1.00 C ATOM 1256 C GLY A 85 79.558 -13.420 -1.584 1.00 1.00 C ATOM 1257 O GLY A 85 79.142 -12.501 -2.260 1.00 1.00 O ATOM 0 H GLY A 85 81.954 -13.281 0.381 1.00 1.00 H new ATOM 0 HA2 GLY A 85 79.076 -13.652 0.510 1.00 1.00 H new ATOM 0 HA3 GLY A 85 79.939 -12.173 0.140 1.00 1.00 H new ATOM 1261 N ILE A 86 79.753 -14.607 -2.093 1.00 1.00 N ATOM 1262 CA ILE A 86 79.467 -14.867 -3.534 1.00 1.00 C ATOM 1263 C ILE A 86 78.150 -14.183 -3.921 1.00 1.00 C ATOM 1264 O ILE A 86 77.109 -14.444 -3.351 1.00 1.00 O ATOM 1265 CB ILE A 86 79.377 -16.387 -3.757 1.00 1.00 C ATOM 1266 CG1 ILE A 86 79.653 -16.702 -5.229 1.00 1.00 C ATOM 1267 CG2 ILE A 86 77.976 -16.876 -3.387 1.00 1.00 C ATOM 1268 CD1 ILE A 86 78.691 -15.904 -6.111 1.00 1.00 C ATOM 0 H ILE A 86 80.100 -15.411 -1.570 1.00 1.00 H new ATOM 0 HA ILE A 86 80.264 -14.463 -4.159 1.00 1.00 H new ATOM 0 HB ILE A 86 80.114 -16.890 -3.131 1.00 1.00 H new ATOM 0 HG12 ILE A 86 80.684 -16.452 -5.478 1.00 1.00 H new ATOM 0 HG13 ILE A 86 79.531 -17.769 -5.413 1.00 1.00 H new ATOM 0 HG21 ILE A 86 77.913 -17.953 -3.545 1.00 1.00 H new ATOM 0 HG22 ILE A 86 77.777 -16.651 -2.339 1.00 1.00 H new ATOM 0 HG23 ILE A 86 77.238 -16.374 -4.013 1.00 1.00 H new ATOM 0 HD11 ILE A 86 78.888 -16.128 -7.159 1.00 1.00 H new ATOM 0 HD12 ILE A 86 77.664 -16.176 -5.868 1.00 1.00 H new ATOM 0 HD13 ILE A 86 78.835 -14.838 -5.935 1.00 1.00 H new ATOM 1280 N CYS A 87 78.193 -13.299 -4.880 1.00 1.00 N ATOM 1281 CA CYS A 87 76.952 -12.591 -5.299 1.00 1.00 C ATOM 1282 C CYS A 87 75.914 -13.613 -5.769 1.00 1.00 C ATOM 1283 CB CYS A 87 77.278 -11.629 -6.444 1.00 1.00 C ATOM 1284 SG CYS A 87 75.991 -10.361 -6.550 1.00 1.00 S ATOM 0 H CYS A 87 79.036 -13.037 -5.392 1.00 1.00 H new ATOM 0 HA CYS A 87 76.550 -12.030 -4.455 1.00 1.00 H new ATOM 0 HB2 CYS A 87 78.249 -11.164 -6.277 1.00 1.00 H new ATOM 0 HB3 CYS A 87 77.344 -12.175 -7.385 1.00 1.00 H new TER 1289 CYS A 87 HETATM 1290 C1C RCY A 110 63.445 -6.355 10.919 1.00 1.00 C HETATM 1291 O1G RCY A 110 58.367 -7.262 12.195 1.00 1.00 O HETATM 1292 O1H RCY A 110 61.328 -5.559 8.934 1.00 1.00 O HETATM 1293 O1J RCY A 110 64.561 -6.533 13.710 1.00 1.00 O HETATM 1294 C1L RCY A 110 58.215 -7.002 9.766 1.00 1.00 C HETATM 1295 C1M RCY A 110 60.745 -6.255 13.447 1.00 1.00 C HETATM 1296 C1P RCY A 110 58.874 -6.869 11.145 1.00 1.00 C HETATM 1297 C1Q RCY A 110 60.312 -5.821 9.576 1.00 1.00 C HETATM 1298 N1R RCY A 110 60.239 -6.189 11.052 1.00 1.00 N HETATM 1299 C1S RCY A 110 58.893 -5.836 9.038 1.00 1.00 C HETATM 1300 C1U RCY A 110 61.273 -5.938 12.151 1.00 1.00 C HETATM 1301 C1V RCY A 110 62.118 -8.305 11.848 1.00 1.00 C HETATM 1302 N1V RCY A 110 63.139 -6.617 13.391 1.00 1.00 N HETATM 1303 C1W RCY A 110 61.957 -6.506 14.353 1.00 1.00 C HETATM 1304 C1X RCY A 110 62.503 -6.835 12.025 1.00 1.00 C HETATM 1305 C1Y RCY A 110 61.782 -7.809 15.138 1.00 1.00 C HETATM 1306 C1Z RCY A 110 62.194 -5.333 15.303 1.00 1.00 C HETATM 0 H1ZB RCY A 110 62.376 -4.427 14.724 1.00 1.00 H new HETATM 0 H1ZA RCY A 110 61.315 -5.191 15.932 1.00 1.00 H new HETATM 0 H1YB RCY A 110 60.887 -7.744 15.756 1.00 1.00 H new HETATM 0 H1YA RCY A 110 61.683 -8.642 14.442 1.00 1.00 H new HETATM 0 H1VB RCY A 110 61.615 -8.436 10.890 1.00 1.00 H new HETATM 0 H1VA RCY A 110 63.016 -8.922 11.873 1.00 1.00 H new HETATM 0 H1MA RCY A 110 60.136 -5.436 13.830 1.00 1.00 H new HETATM 0 H1LA RCY A 110 58.421 -7.964 9.296 1.00 1.00 H new HETATM 0 H1CB RCY A 110 62.918 -6.361 9.965 1.00 1.00 H new HETATM 0 H1CA RCY A 110 63.782 -5.342 11.142 1.00 1.00 H new HETATM 0 H1Z RCY A 110 63.060 -5.543 15.931 1.00 1.00 H new HETATM 0 H1Y RCY A 110 62.652 -7.970 15.775 1.00 1.00 H new HETATM 0 H1V RCY A 110 61.449 -8.605 12.654 1.00 1.00 H new HETATM 0 H1U RCY A 110 61.532 -4.885 12.040 1.00 1.00 H new HETATM 0 H1S RCY A 110 58.383 -4.894 9.238 1.00 1.00 H new HETATM 0 H1M RCY A 110 60.104 -7.135 13.402 1.00 1.00 H new HETATM 0 H1L RCY A 110 57.131 -6.894 9.809 1.00 1.00 H new HETATM 0 H1C RCY A 110 64.307 -7.019 10.862 1.00 1.00 H new HETATM 1309 C1C RCY A 121 63.501 -2.900 -4.216 1.00 1.00 C HETATM 1310 O1G RCY A 121 60.286 -2.826 -6.049 1.00 1.00 O HETATM 1311 O1H RCY A 121 64.437 -2.026 -8.153 1.00 1.00 O HETATM 1312 O1J RCY A 121 66.199 -2.301 -5.412 1.00 1.00 O HETATM 1313 C1L RCY A 121 61.360 -3.754 -8.042 1.00 1.00 C HETATM 1314 C1M RCY A 121 63.440 0.263 -6.136 1.00 1.00 C HETATM 1315 C1P RCY A 121 61.240 -2.827 -6.825 1.00 1.00 C HETATM 1316 C1Q RCY A 121 63.243 -2.245 -7.956 1.00 1.00 C HETATM 1317 N1R RCY A 121 62.452 -1.906 -6.698 1.00 1.00 N HETATM 1318 C1S RCY A 121 62.282 -2.907 -8.926 1.00 1.00 C HETATM 1319 C1U RCY A 121 62.794 -0.900 -5.598 1.00 1.00 C HETATM 1320 C1V RCY A 121 63.904 -0.552 -3.349 1.00 1.00 C HETATM 1321 N1V RCY A 121 65.080 -1.363 -5.406 1.00 1.00 N HETATM 1322 C1W RCY A 121 64.933 -0.080 -6.222 1.00 1.00 C HETATM 1323 C1X RCY A 121 63.800 -1.446 -4.586 1.00 1.00 C HETATM 1324 C1Y RCY A 121 65.778 1.042 -5.613 1.00 1.00 C HETATM 1325 C1Z RCY A 121 65.358 -0.353 -7.665 1.00 1.00 C HETATM 0 H1ZB RCY A 121 64.786 -1.193 -8.060 1.00 1.00 H new HETATM 0 H1ZA RCY A 121 65.170 0.532 -8.273 1.00 1.00 H new HETATM 0 H1YB RCY A 121 65.597 1.970 -6.156 1.00 1.00 H new HETATM 0 H1YA RCY A 121 65.506 1.175 -4.566 1.00 1.00 H new HETATM 0 H1VB RCY A 121 62.962 -0.578 -2.801 1.00 1.00 H new HETATM 0 H1VA RCY A 121 64.707 -0.912 -2.706 1.00 1.00 H new HETATM 0 H1MA RCY A 121 63.040 0.511 -7.119 1.00 1.00 H new HETATM 0 H1LA RCY A 121 61.796 -4.720 -7.789 1.00 1.00 H new HETATM 0 H1CB RCY A 121 62.505 -2.967 -3.778 1.00 1.00 H new HETATM 0 H1CA RCY A 121 63.546 -3.520 -5.111 1.00 1.00 H new HETATM 0 H1V RCY A 121 64.117 0.472 -3.657 1.00 1.00 H new HETATM 0 H1U RCY A 121 61.835 -0.678 -5.130 1.00 1.00 H new HETATM 0 H1S RCY A 121 61.717 -2.166 -9.492 1.00 1.00 H new HETATM 0 H1M RCY A 121 63.276 1.131 -5.497 1.00 1.00 H new HETATM 0 H1L RCY A 121 60.397 -3.952 -8.512 1.00 1.00 H new HETATM 0 H1C RCY A 121 64.239 -3.251 -3.494 1.00 1.00 H new HETATM 1328 C1C RCY A 130 75.640 6.643 -7.447 1.00 1.00 C HETATM 1329 O1G RCY A 130 78.665 3.545 -9.237 1.00 1.00 O HETATM 1330 O1H RCY A 130 77.019 7.473 -11.277 1.00 1.00 O HETATM 1331 O1J RCY A 130 76.804 8.767 -5.658 1.00 1.00 O HETATM 1332 C1L RCY A 130 77.903 4.062 -11.504 1.00 1.00 C HETATM 1333 C1M RCY A 130 79.124 7.437 -8.406 1.00 1.00 C HETATM 1334 C1P RCY A 130 78.189 4.359 -10.027 1.00 1.00 C HETATM 1335 C1Q RCY A 130 77.181 6.298 -10.950 1.00 1.00 C HETATM 1336 N1R RCY A 130 77.811 5.793 -9.658 1.00 1.00 N HETATM 1337 C1S RCY A 130 76.787 5.080 -11.765 1.00 1.00 C HETATM 1338 C1U RCY A 130 78.008 6.538 -8.337 1.00 1.00 C HETATM 1339 C1V RCY A 130 76.428 8.339 -9.158 1.00 1.00 C HETATM 1340 N1V RCY A 130 77.449 8.277 -6.872 1.00 1.00 N HETATM 1341 C1W RCY A 130 78.898 8.486 -7.310 1.00 1.00 C HETATM 1342 C1X RCY A 130 76.828 7.443 -7.984 1.00 1.00 C HETATM 1343 C1Y RCY A 130 79.090 9.898 -7.868 1.00 1.00 C HETATM 1344 C1Z RCY A 130 79.821 8.248 -6.115 1.00 1.00 C HETATM 0 H1YB RCY A 130 80.105 10.002 -8.253 1.00 1.00 H new HETATM 0 H1YA RCY A 130 78.377 10.071 -8.674 1.00 1.00 H new HETATM 0 H1VB RCY A 130 76.037 7.724 -9.968 1.00 1.00 H new HETATM 0 H1VA RCY A 130 75.661 9.043 -8.834 1.00 1.00 H new HETATM 0 H1LA RCY A 130 78.774 4.225 -12.139 1.00 1.00 H new HETATM 0 H1CB RCY A 130 75.310 5.930 -8.203 1.00 1.00 H new HETATM 0 H1CA RCY A 130 75.940 6.106 -6.547 1.00 1.00 H new HETATM 0 H1Z RCY A 130 79.636 9.008 -5.356 1.00 1.00 H new HETATM 0 H1Y RCY A 130 78.925 10.628 -7.075 1.00 1.00 H new HETATM 0 H1V RCY A 130 77.301 8.890 -9.509 1.00 1.00 H new HETATM 0 H1U RCY A 130 78.141 5.746 -7.600 1.00 1.00 H new HETATM 0 H1S RCY A 130 75.817 4.693 -11.455 1.00 1.00 H new HETATM 0 H1M RCY A 130 79.185 7.907 -9.388 1.00 1.00 H new HETATM 0 H1L RCY A 130 77.578 3.035 -11.668 1.00 1.00 H new HETATM 0 H1C RCY A 130 74.822 7.323 -7.208 1.00 1.00 H new HETATM 1347 C1C RCY A 138 83.492 2.569 0.164 1.00 1.00 C HETATM 1348 O1G RCY A 138 83.228 5.564 -1.365 1.00 1.00 O HETATM 1349 O1H RCY A 138 87.442 3.447 -1.613 1.00 1.00 O HETATM 1350 O1J RCY A 138 85.820 0.660 0.077 1.00 1.00 O HETATM 1351 C1L RCY A 138 84.750 5.074 -3.218 1.00 1.00 C HETATM 1352 C1M RCY A 138 86.618 4.221 1.256 1.00 1.00 C HETATM 1353 C1P RCY A 138 84.304 5.110 -1.750 1.00 1.00 C HETATM 1354 C1Q RCY A 138 86.504 4.222 -1.794 1.00 1.00 C HETATM 1355 N1R RCY A 138 85.363 4.511 -0.826 1.00 1.00 N HETATM 1356 C1S RCY A 138 86.271 5.072 -3.030 1.00 1.00 C HETATM 1357 C1U RCY A 138 85.304 4.260 0.682 1.00 1.00 C HETATM 1358 C1V RCY A 138 84.387 2.787 2.526 1.00 1.00 C HETATM 1359 N1V RCY A 138 85.875 1.991 0.676 1.00 1.00 N HETATM 1360 C1W RCY A 138 87.117 2.781 1.083 1.00 1.00 C HETATM 1361 C1X RCY A 138 84.707 2.899 1.034 1.00 1.00 C HETATM 1362 C1Y RCY A 138 87.684 2.245 2.401 1.00 1.00 C HETATM 1363 C1Z RCY A 138 88.159 2.684 -0.031 1.00 1.00 C HETATM 0 H1ZB RCY A 138 87.718 3.013 -0.972 1.00 1.00 H new HETATM 0 H1ZA RCY A 138 89.011 3.319 0.212 1.00 1.00 H new HETATM 0 H1VB RCY A 138 83.587 3.482 2.780 1.00 1.00 H new HETATM 0 H1VA RCY A 138 84.070 1.770 2.755 1.00 1.00 H new HETATM 0 H1MA RCY A 138 87.282 4.926 0.756 1.00 1.00 H new HETATM 0 H1LA RCY A 138 84.393 4.187 -3.741 1.00 1.00 H new HETATM 0 H1CB RCY A 138 82.723 3.328 0.310 1.00 1.00 H new HETATM 0 H1CA RCY A 138 83.789 2.551 -0.884 1.00 1.00 H new HETATM 0 H1Z RCY A 138 88.493 1.651 -0.128 1.00 1.00 H new HETATM 0 H1V RCY A 138 85.276 3.029 3.108 1.00 1.00 H new HETATM 0 H1U RCY A 138 84.693 5.077 1.067 1.00 1.00 H new HETATM 0 H1S RCY A 138 86.655 6.083 -2.894 1.00 1.00 H new HETATM 0 H1M RCY A 138 86.591 4.500 2.309 1.00 1.00 H new HETATM 0 H1L RCY A 138 84.400 5.939 -3.782 1.00 1.00 H new HETATM 0 H1C RCY A 138 83.097 1.593 0.446 1.00 1.00 H new HETATM 1366 C1C RCY A 150 72.592 4.841 5.203 1.00 1.00 C HETATM 1367 O1G RCY A 150 73.952 6.748 6.760 1.00 1.00 O HETATM 1368 O1H RCY A 150 77.772 6.348 4.013 1.00 1.00 O HETATM 1369 O1J RCY A 150 72.058 3.154 2.767 1.00 1.00 O HETATM 1370 C1L RCY A 150 76.298 7.381 7.051 1.00 1.00 C HETATM 1371 C1M RCY A 150 75.437 4.967 2.839 1.00 1.00 C HETATM 1372 C1P RCY A 150 75.100 6.763 6.319 1.00 1.00 C HETATM 1373 C1Q RCY A 150 77.022 6.357 4.987 1.00 1.00 C HETATM 1374 N1R RCY A 150 75.510 6.167 4.973 1.00 1.00 N HETATM 1375 C1S RCY A 150 77.435 6.559 6.434 1.00 1.00 C HETATM 1376 C1U RCY A 150 74.637 5.541 3.884 1.00 1.00 C HETATM 1377 C1V RCY A 150 74.652 3.363 5.176 1.00 1.00 C HETATM 1378 N1V RCY A 150 73.350 3.761 3.074 1.00 1.00 N HETATM 1379 C1W RCY A 150 74.548 3.929 2.142 1.00 1.00 C HETATM 1380 C1X RCY A 150 73.802 4.368 4.395 1.00 1.00 C HETATM 1381 C1Y RCY A 150 75.294 2.601 1.984 1.00 1.00 C HETATM 1382 C1Z RCY A 150 74.060 4.438 0.786 1.00 1.00 C HETATM 0 H1ZB RCY A 150 73.482 5.351 0.927 1.00 1.00 H new HETATM 0 H1ZA RCY A 150 74.917 4.646 0.146 1.00 1.00 H new HETATM 0 H1YB RCY A 150 76.191 2.757 1.385 1.00 1.00 H new HETATM 0 H1YA RCY A 150 75.575 2.222 2.967 1.00 1.00 H new HETATM 0 H1VB RCY A 150 75.015 3.828 6.093 1.00 1.00 H new HETATM 0 H1VA RCY A 150 74.047 2.491 5.426 1.00 1.00 H new HETATM 0 H1MA RCY A 150 75.767 5.732 2.136 1.00 1.00 H new HETATM 0 H1LA RCY A 150 76.401 8.448 6.856 1.00 1.00 H new HETATM 0 H1CB RCY A 150 72.932 5.419 6.063 1.00 1.00 H new HETATM 0 H1Z RCY A 150 73.433 3.680 0.317 1.00 1.00 H new HETATM 0 H1Y RCY A 150 74.647 1.877 1.488 1.00 1.00 H new HETATM 0 H1V RCY A 150 75.501 3.053 4.566 1.00 1.00 H new HETATM 0 H1U RCY A 150 74.008 6.362 3.539 1.00 1.00 H new HETATM 0 H1S RCY A 150 77.558 5.606 6.948 1.00 1.00 H new HETATM 0 H1M RCY A 150 76.334 4.501 3.247 1.00 1.00 H new HETATM 0 H1L RCY A 150 76.234 7.260 8.132 1.00 1.00 H new HETATM 1385 C1C RCY A 160 76.782 6.762 -3.002 1.00 1.00 C HETATM 1386 O1G RCY A 160 76.297 7.484 -0.392 1.00 1.00 O HETATM 1387 O1H RCY A 160 71.922 5.713 -0.547 1.00 1.00 O HETATM 1388 O1J RCY A 160 76.221 5.511 -5.683 1.00 1.00 O HETATM 1389 C1L RCY A 160 74.355 7.685 1.084 1.00 1.00 C HETATM 1390 C1M RCY A 160 73.422 5.214 -3.079 1.00 1.00 C HETATM 1391 C1P RCY A 160 75.117 7.219 -0.163 1.00 1.00 C HETATM 1392 C1Q RCY A 160 72.877 6.472 -0.391 1.00 1.00 C HETATM 1393 N1R RCY A 160 74.230 6.385 -1.086 1.00 1.00 N HETATM 1394 C1S RCY A 160 72.924 7.673 0.535 1.00 1.00 C HETATM 1395 C1U RCY A 160 74.595 5.650 -2.377 1.00 1.00 C HETATM 1396 C1V RCY A 160 74.579 7.866 -3.601 1.00 1.00 C HETATM 1397 N1V RCY A 160 75.221 5.676 -4.632 1.00 1.00 N HETATM 1398 C1W RCY A 160 73.846 5.017 -4.540 1.00 1.00 C HETATM 1399 C1X RCY A 160 75.316 6.543 -3.385 1.00 1.00 C HETATM 1400 C1Y RCY A 160 72.857 5.706 -5.485 1.00 1.00 C HETATM 1401 C1Z RCY A 160 73.977 3.534 -4.885 1.00 1.00 C HETATM 0 H1ZB RCY A 160 74.728 3.076 -4.241 1.00 1.00 H new HETATM 0 H1ZA RCY A 160 73.018 3.039 -4.733 1.00 1.00 H new HETATM 0 H1YB RCY A 160 71.863 5.280 -5.345 1.00 1.00 H new HETATM 0 H1YA RCY A 160 72.828 6.773 -5.266 1.00 1.00 H new HETATM 0 H1VB RCY A 160 74.608 8.453 -2.683 1.00 1.00 H new HETATM 0 H1VA RCY A 160 75.061 8.424 -4.403 1.00 1.00 H new HETATM 0 H1MA RCY A 160 73.038 4.285 -2.656 1.00 1.00 H new HETATM 0 H1LA RCY A 160 74.484 7.009 1.929 1.00 1.00 H new HETATM 0 H1CB RCY A 160 76.835 7.238 -2.023 1.00 1.00 H new HETATM 0 H1CA RCY A 160 77.296 5.802 -2.966 1.00 1.00 H new HETATM 0 H1Z RCY A 160 74.279 3.428 -5.927 1.00 1.00 H new HETATM 0 H1Y RCY A 160 73.174 5.555 -6.517 1.00 1.00 H new HETATM 0 H1V RCY A 160 73.542 7.665 -3.871 1.00 1.00 H new HETATM 0 H1U RCY A 160 75.227 4.826 -2.047 1.00 1.00 H new HETATM 0 H1S RCY A 160 72.697 8.595 -0.000 1.00 1.00 H new HETATM 0 H1M RCY A 160 72.625 5.953 -3.001 1.00 1.00 H new HETATM 0 H1L RCY A 160 74.666 8.675 1.418 1.00 1.00 H new HETATM 0 H1C RCY A 160 77.260 7.402 -3.744 1.00 1.00 H new HETATM 1404 C1C RCY A 168 76.641 -2.220 3.739 1.00 1.00 C HETATM 1405 O1G RCY A 168 73.670 -2.685 -0.838 1.00 1.00 O HETATM 1406 O1H RCY A 168 74.074 -3.257 3.832 1.00 1.00 O HETATM 1407 O1J RCY A 168 79.079 -0.952 2.508 1.00 1.00 O HETATM 1408 C1L RCY A 168 72.062 -3.209 0.931 1.00 1.00 C HETATM 1409 C1M RCY A 168 76.338 -2.038 0.056 1.00 1.00 C HETATM 1410 C1P RCY A 168 73.452 -2.919 0.350 1.00 1.00 C HETATM 1411 C1Q RCY A 168 73.741 -3.395 2.656 1.00 1.00 C HETATM 1412 N1R RCY A 168 74.532 -2.958 1.430 1.00 1.00 N HETATM 1413 C1S RCY A 168 72.459 -4.037 2.158 1.00 1.00 C HETATM 1414 C1U RCY A 168 76.025 -2.641 1.320 1.00 1.00 C HETATM 1415 C1V RCY A 168 75.583 -0.375 2.360 1.00 1.00 C HETATM 1416 N1V RCY A 168 77.854 -1.253 1.773 1.00 1.00 N HETATM 1417 C1W RCY A 168 77.657 -1.281 0.259 1.00 1.00 C HETATM 1418 C1X RCY A 168 76.489 -1.608 2.345 1.00 1.00 C HETATM 1419 C1Y RCY A 168 77.550 0.143 -0.294 1.00 1.00 C HETATM 1420 C1Z RCY A 168 78.828 -2.023 -0.385 1.00 1.00 C HETATM 0 H1ZB RCY A 168 78.923 -3.012 0.064 1.00 1.00 H new HETATM 0 H1ZA RCY A 168 78.649 -2.126 -1.455 1.00 1.00 H new HETATM 0 H1YB RCY A 168 77.326 0.103 -1.360 1.00 1.00 H new HETATM 0 H1YA RCY A 168 76.753 0.676 0.225 1.00 1.00 H new HETATM 0 H1VB RCY A 168 74.593 -0.655 2.720 1.00 1.00 H new HETATM 0 H1VA RCY A 168 76.008 0.381 3.020 1.00 1.00 H new HETATM 0 H1MA RCY A 168 76.439 -2.795 -0.722 1.00 1.00 H new HETATM 0 H1LA RCY A 168 71.523 -2.300 1.197 1.00 1.00 H new HETATM 0 H1Z RCY A 168 79.748 -1.461 -0.224 1.00 1.00 H new HETATM 0 H1Y RCY A 168 78.495 0.665 -0.141 1.00 1.00 H new HETATM 0 H1V RCY A 168 75.502 0.029 1.351 1.00 1.00 H new HETATM 0 H1S RCY A 168 72.616 -5.083 1.896 1.00 1.00 H new HETATM 0 H1M RCY A 168 75.545 -1.360 -0.259 1.00 1.00 H new HETATM 0 H1L RCY A 168 71.428 -3.764 0.240 1.00 1.00 H new HETATM 1423 C1C RCY A 173 74.782 -7.358 6.649 1.00 1.00 C HETATM 1424 O1G RCY A 173 77.264 -7.219 2.171 1.00 1.00 O HETATM 1425 O1H RCY A 173 78.022 -6.796 6.813 1.00 1.00 O HETATM 1426 O1J RCY A 173 72.146 -6.289 5.660 1.00 1.00 O HETATM 1427 C1L RCY A 173 79.143 -7.812 3.623 1.00 1.00 C HETATM 1428 C1M RCY A 173 75.184 -5.575 3.432 1.00 1.00 C HETATM 1429 C1P RCY A 173 77.765 -7.222 3.295 1.00 1.00 C HETATM 1430 C1Q RCY A 173 78.178 -6.804 5.593 1.00 1.00 C HETATM 1431 N1R RCY A 173 77.094 -6.638 4.536 1.00 1.00 N HETATM 1432 C1S RCY A 173 79.496 -6.981 4.861 1.00 1.00 C HETATM 1433 C1U RCY A 173 75.694 -6.038 4.690 1.00 1.00 C HETATM 1434 C1V RCY A 173 74.707 -8.339 4.313 1.00 1.00 C HETATM 1435 N1V RCY A 173 73.375 -6.294 4.872 1.00 1.00 N HETATM 1436 C1W RCY A 173 73.658 -5.529 3.580 1.00 1.00 C HETATM 1437 C1X RCY A 173 74.659 -7.062 5.153 1.00 1.00 C HETATM 1438 C1Y RCY A 173 72.981 -6.216 2.391 1.00 1.00 C HETATM 1439 C1Z RCY A 173 73.157 -4.092 3.729 1.00 1.00 C HETATM 0 H1VB RCY A 173 75.654 -8.851 4.483 1.00 1.00 H new HETATM 0 H1LA RCY A 173 79.100 -8.880 3.836 1.00 1.00 H new HETATM 0 H1CA RCY A 173 74.631 -6.439 7.215 1.00 1.00 H new HETATM 0 H1S RCY A 173 79.927 -6.019 4.583 1.00 1.00 H new HETATM 0 H1L RCY A 173 79.859 -7.677 2.812 1.00 1.00 H new HETATM 0 H1C RCY A 173 74.028 -8.091 6.938 1.00 1.00 H new HETATM 1442 C1C RCY A 176 76.489 -0.346 5.454 1.00 1.00 C HETATM 1443 O1G RCY A 176 79.510 0.874 5.408 1.00 1.00 O HETATM 1444 O1H RCY A 176 80.587 -3.682 6.020 1.00 1.00 O HETATM 1445 O1J RCY A 176 74.616 -2.255 4.070 1.00 1.00 O HETATM 1446 C1L RCY A 176 81.323 -0.275 6.582 1.00 1.00 C HETATM 1447 C1M RCY A 176 78.294 -3.331 4.219 1.00 1.00 C HETATM 1448 C1P RCY A 176 80.028 -0.182 5.765 1.00 1.00 C HETATM 1449 C1Q RCY A 176 80.412 -2.480 6.213 1.00 1.00 C HETATM 1450 N1R RCY A 176 79.461 -1.566 5.451 1.00 1.00 N HETATM 1451 C1S RCY A 176 81.108 -1.632 7.262 1.00 1.00 C HETATM 1452 C1U RCY A 176 78.252 -1.947 4.595 1.00 1.00 C HETATM 1453 C1V RCY A 176 76.972 -2.495 6.710 1.00 1.00 C HETATM 1454 N1V RCY A 176 76.003 -2.566 4.401 1.00 1.00 N HETATM 1455 C1W RCY A 176 76.851 -3.725 3.880 1.00 1.00 C HETATM 1456 C1X RCY A 176 76.928 -1.808 5.343 1.00 1.00 C HETATM 1457 C1Y RCY A 176 76.468 -5.029 4.586 1.00 1.00 C HETATM 1458 C1Z RCY A 176 76.650 -3.852 2.370 1.00 1.00 C HETATM 0 H1ZA RCY A 176 77.319 -4.617 1.977 1.00 1.00 H new HETATM 0 H1VB RCY A 176 77.679 -1.974 7.356 1.00 1.00 H new HETATM 0 H1VA RCY A 176 75.980 -2.470 7.162 1.00 1.00 H new HETATM 0 H1MA RCY A 176 78.951 -3.482 3.362 1.00 1.00 H new HETATM 0 H1LA RCY A 176 82.214 -0.259 5.955 1.00 1.00 H new HETATM 0 H1CB RCY A 176 77.248 0.222 5.993 1.00 1.00 H new HETATM 0 H1CA RCY A 176 76.363 0.073 4.456 1.00 1.00 H new HETATM 0 H1V RCY A 176 77.288 -3.531 6.587 1.00 1.00 H new HETATM 0 H1U RCY A 176 78.303 -1.270 3.742 1.00 1.00 H new HETATM 0 H1S RCY A 176 80.498 -1.533 8.160 1.00 1.00 H new HETATM 0 H1M RCY A 176 78.684 -3.944 5.032 1.00 1.00 H new HETATM 0 H1L RCY A 176 81.423 0.540 7.299 1.00 1.00 H new HETATM 0 H1C RCY A 176 75.543 -0.290 5.993 1.00 1.00 H new HETATM 1461 C1C RCY A 187 77.631 -5.958 -2.010 1.00 1.00 C HETATM 1462 O1G RCY A 187 76.381 -5.932 -3.974 1.00 1.00 O HETATM 1463 O1H RCY A 187 75.828 -10.604 -3.563 1.00 1.00 O HETATM 1464 O1J RCY A 187 74.914 -4.662 -1.923 1.00 1.00 O HETATM 1465 C1L RCY A 187 76.091 -7.735 -5.604 1.00 1.00 C HETATM 1466 C1M RCY A 187 75.022 -8.385 -1.009 1.00 1.00 C HETATM 1467 C1P RCY A 187 76.257 -7.135 -4.202 1.00 1.00 C HETATM 1468 C1Q RCY A 187 76.185 -9.493 -3.952 1.00 1.00 C HETATM 1469 N1R RCY A 187 76.248 -8.216 -3.123 1.00 1.00 N HETATM 1470 C1S RCY A 187 76.646 -9.141 -5.354 1.00 1.00 C HETATM 1471 C1U RCY A 187 76.291 -8.067 -1.601 1.00 1.00 C HETATM 1472 C1V RCY A 187 76.885 -6.552 0.339 1.00 1.00 C HETATM 1473 N1V RCY A 187 75.196 -6.006 -1.427 1.00 1.00 N HETATM 1474 C1W RCY A 187 74.190 -7.098 -1.066 1.00 1.00 C HETATM 1475 C1X RCY A 187 76.556 -6.631 -1.153 1.00 1.00 C HETATM 1476 C1Y RCY A 187 73.551 -6.809 0.296 1.00 1.00 C HETATM 1477 C1Z RCY A 187 73.122 -7.174 -2.157 1.00 1.00 C HETATM 0 H1ZB RCY A 187 73.601 -7.320 -3.125 1.00 1.00 H new HETATM 0 H1ZA RCY A 187 72.453 -8.010 -1.954 1.00 1.00 H new HETATM 0 H1VB RCY A 187 77.835 -7.051 0.529 1.00 1.00 H new HETATM 0 H1VA RCY A 187 76.957 -5.507 0.641 1.00 1.00 H new HETATM 0 H1MA RCY A 187 74.530 -9.191 -1.553 1.00 1.00 H new HETATM 0 H1LA RCY A 187 75.052 -7.749 -5.932 1.00 1.00 H new HETATM 0 H1CB RCY A 187 78.563 -6.518 -1.931 1.00 1.00 H new HETATM 0 H1CA RCY A 187 77.307 -5.937 -3.050 1.00 1.00 H new HETATM 0 H1Z RCY A 187 72.550 -6.246 -2.171 1.00 1.00 H new HETATM 0 H1V RCY A 187 76.097 -7.041 0.912 1.00 1.00 H new HETATM 0 H1U RCY A 187 77.090 -8.739 -1.288 1.00 1.00 H new HETATM 0 H1S RCY A 187 77.733 -9.157 -5.429 1.00 1.00 H new HETATM 0 H1M RCY A 187 75.146 -8.723 0.020 1.00 1.00 H new HETATM 0 H1L RCY A 187 76.657 -7.191 -6.361 1.00 1.00 H new HETATM 0 H1C RCY A 187 77.790 -4.938 -1.659 1.00 1.00 H new