USER MOD reduce.3.24.130724 H: found=0, std=0, add=789, rem=0, adj=19 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 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 130 RCYH1SA : A 130 RCY C1S : A 30 CYS SG :(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 187 RCY O1G :(H bumps) USER MOD NoAdj-H: A 150 RCYH1ZB : A 150 RCY C1Z : A 187 RCY C1X :(H bumps) USER MOD NoAdj-H: A 150 RCYH1SA : A 150 RCY C1S : A 50 CYS SG :(H bumps) USER MOD NoAdj-H: A 150 RCYH1CA : A 150 RCY C1C : A 187 RCY C1Y :(H bumps) USER MOD NoAdj-H: A 150 RCY H1Z : A 150 RCY C1Z : A 187 RCY C1X :(H bumps) USER MOD NoAdj-H: A 150 RCY H1C : A 150 RCY C1C : A 187 RCY C1Y :(H bumps) USER MOD NoAdj-H: A 160 RCYH1ZA : A 160 RCY C1Z : A 168 RCY C1V :(H bumps) USER MOD NoAdj-H: A 160 RCYH1SA : A 160 RCY C1S : A 60 CYS SG :(H bumps) USER MOD NoAdj-H: A 160 RCY H1Z : A 160 RCY C1Z : A 168 RCY C1V :(H bumps) USER MOD NoAdj-H: A 168 RCYH1ZA : A 168 RCY C1Z : A 176 RCY C1V :(H bumps) USER MOD NoAdj-H: A 168 RCYH1YB : A 168 RCY C1Y : A 173 RCY C1Y :(H bumps) USER MOD NoAdj-H: A 168 RCYH1YA : A 168 RCY C1Y : A 173 RCY C1Y :(H bumps) USER MOD NoAdj-H: A 168 RCYH1VB : A 168 RCY C1V : A 160 RCY C1Z :(H bumps) USER MOD NoAdj-H: A 168 RCYH1VA : A 168 RCY C1V : A 160 RCY C1Z :(H bumps) USER MOD NoAdj-H: A 168 RCYH1SA : A 168 RCY C1S : A 68 CYS SG :(H bumps) USER MOD NoAdj-H: A 168 RCYH1MA : A 168 RCY C1M : A 173 RCY N1V :(H bumps) USER MOD NoAdj-H: A 168 RCY H1Z : A 168 RCY C1Z : A 176 RCY C1V :(H bumps) USER MOD NoAdj-H: A 168 RCY H1Y : A 168 RCY C1Y : A 173 RCY C1Y :(H bumps) USER MOD NoAdj-H: A 168 RCY H1M : A 168 RCY C1M : A 173 RCY N1V :(H bumps) USER MOD NoAdj-H: A 173 RCYH1ZB : A 173 RCY C1Z : A 168 RCY C1W :(H bumps) USER MOD NoAdj-H: A 173 RCYH1YB : A 173 RCY C1Y : A 168 RCY C1Y :(H bumps) USER MOD NoAdj-H: A 173 RCYH1VB : A 173 RCY C1V : A 187 RCY C1Y :(H bumps) USER MOD NoAdj-H: A 173 RCYH1VA : A 173 RCY C1V : A 187 RCY C1Y :(H bumps) USER MOD NoAdj-H: A 173 RCYH1SA : A 173 RCY C1S : A 73 CYS SG :(H bumps) USER MOD NoAdj-H: A 173 RCY H1Z : A 173 RCY C1Z : A 168 RCY C1Y :(H bumps) USER MOD NoAdj-H: A 173 RCY H1Y : A 173 RCY C1Y : A 168 RCY C1Y :(H bumps) USER MOD NoAdj-H: A 173 RCY H1V : A 173 RCY C1V : A 187 RCY C1Y :(H bumps) USER MOD NoAdj-H: A 176 RCYH1YB : A 176 RCY C1Y : A 168 RCY C1Y :(H bumps) USER MOD NoAdj-H: A 176 RCYH1YA : A 176 RCY C1Y : A 173 RCY C1W :(H bumps) USER MOD NoAdj-H: A 176 RCYH1VA : A 176 RCY C1V : A 168 RCY C1Z :(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 H1V : A 176 RCY C1V : A 168 RCY C1Z :(H bumps) USER MOD NoAdj-H: A 187 RCYH1YB : A 187 RCY C1Y : A 150 RCY C1X :(H bumps) USER MOD NoAdj-H: A 187 RCYH1YA : A 187 RCY C1Y : A 150 RCY C1X :(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 RCYH1MA : A 187 RCY C1M : A 150 RCY C1Y :(H bumps) USER MOD NoAdj-H: A 187 RCY H1Y : A 187 RCY C1Y : A 173 RCY C1V :(H bumps) USER MOD NoAdj-H: A 187 RCY H1U : A 187 RCY C1U : A 150 RCY C1W :(H bumps) USER MOD NoAdj-H: A 187 RCY H1M : A 187 RCY C1M : A 150 RCY N1V :(H bumps) USER MOD Set 1.1: A 74 ASN : amide:sc= -0.672 K(o=-0.81,f=-2.7!) USER MOD Set 1.2: A 83 GLN :FLIP amide:sc= -0.138 F(o=-1.4,f=-0.81) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 177:sc= -0.441 (180deg=-0.481) USER MOD Single : A 2 ASN :FLIP amide:sc= 0.498 F(o=-0.96,f=0.5) USER MOD Single : A 7 LYS NZ :NH3+ 154:sc= -0.278 (180deg=-1.08) USER MOD Single : A 12 SER OG : rot 13:sc= 0.744! USER MOD Single : A 14 THR OG1 : rot -40:sc= -0.0539! USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot -67:sc= 0.507 USER MOD Single : A 25 LYS NZ :NH3+ -168:sc= -0.467 (180deg=-0.661) USER MOD Single : A 29 LYS NZ :NH3+ 160:sc= -0.0792 (180deg=-0.576) USER MOD Single : A 31 LYS NZ :NH3+ 159:sc= -0.0493 (180deg=-0.345) USER MOD Single : A 32 GLN :FLIP amide:sc= -3.57! C(o=-5.1!,f=-3.6!) USER MOD Single : A 34 GLN : amide:sc= -0.21 X(o=-0.21,f=-0.19) USER MOD Single : A 35 THR OG1 : rot 32:sc= 0.158! USER MOD Single : A 37 GLN : amide:sc= -0.0925 K(o=-0.093,f=-0.87) USER MOD Single : A 39 LYS NZ :NH3+ -150:sc= 0 (180deg=-0.0182) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ -172:sc= -7.26! (180deg=-7.59!) USER MOD Single : A 44 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0715) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= -0.474 K(o=-0.47,f=-4.5!) 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 70:sc= 0.155! USER MOD Single : A 75 HIS : no HD1:sc= -0.688 K(o=-0.69,f=-2.7!) USER MOD Single : A 79 HIS : no HD1:sc= -4.29! C(o=-4.3!,f=-6.4!) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 52.820 8.527 -5.297 1.00 1.00 N ATOM 2 CA MET A 1 51.420 8.606 -4.795 1.00 1.00 C ATOM 3 C MET A 1 51.292 7.787 -3.509 1.00 1.00 C ATOM 4 O MET A 1 50.214 7.381 -3.124 1.00 1.00 O ATOM 5 CB MET A 1 50.466 8.046 -5.852 1.00 1.00 C ATOM 6 CG MET A 1 50.321 9.054 -6.994 1.00 1.00 C ATOM 7 SD MET A 1 49.300 10.444 -6.445 1.00 1.00 S ATOM 8 CE MET A 1 49.804 11.616 -7.729 1.00 1.00 C ATOM 0 H1 MET A 1 52.895 9.041 -6.198 1.00 1.00 H new ATOM 0 H2 MET A 1 53.463 8.953 -4.600 1.00 1.00 H new ATOM 0 H3 MET A 1 53.080 7.531 -5.444 1.00 1.00 H new ATOM 0 HA MET A 1 51.166 9.646 -4.591 1.00 1.00 H new ATOM 0 HB2 MET A 1 50.846 7.099 -6.235 1.00 1.00 H new ATOM 0 HB3 MET A 1 49.492 7.842 -5.407 1.00 1.00 H new ATOM 0 HG2 MET A 1 51.303 9.411 -7.305 1.00 1.00 H new ATOM 0 HG3 MET A 1 49.866 8.575 -7.861 1.00 1.00 H new ATOM 0 HE1 MET A 1 49.285 12.563 -7.581 1.00 1.00 H new ATOM 0 HE2 MET A 1 50.880 11.779 -7.671 1.00 1.00 H new ATOM 0 HE3 MET A 1 49.551 11.213 -8.709 1.00 1.00 H new ATOM 17 N ASN A 2 52.386 7.541 -2.840 1.00 1.00 N ATOM 18 CA ASN A 2 52.329 6.747 -1.579 1.00 1.00 C ATOM 19 C ASN A 2 52.108 7.689 -0.393 1.00 1.00 C ATOM 20 O ASN A 2 53.029 8.023 0.326 1.00 1.00 O ATOM 21 CB ASN A 2 53.648 5.992 -1.394 1.00 1.00 C ATOM 22 CG ASN A 2 54.816 6.900 -1.783 1.00 1.00 C ATOM 23 OD1 ASN A 2 55.422 6.711 -2.923 1.00 1.00 O flip ATOM 24 ND2 ASN A 2 55.181 7.791 -1.042 1.00 1.00 N flip ATOM 0 H ASN A 2 53.317 7.856 -3.112 1.00 1.00 H new ATOM 0 HA ASN A 2 51.506 6.034 -1.634 1.00 1.00 H new ATOM 0 HB2 ASN A 2 53.753 5.671 -0.358 1.00 1.00 H new ATOM 0 HB3 ASN A 2 53.653 5.092 -2.009 1.00 1.00 H new ATOM 0 HD21 ASN A 2 54.708 7.939 -0.151 1.00 1.00 H new ATOM 0 HD22 ASN A 2 55.961 8.391 -1.311 1.00 1.00 H new ATOM 31 N LEU A 3 50.894 8.117 -0.180 1.00 1.00 N ATOM 32 CA LEU A 3 50.618 9.034 0.962 1.00 1.00 C ATOM 33 C LEU A 3 50.572 8.224 2.260 1.00 1.00 C ATOM 34 O LEU A 3 51.033 8.665 3.294 1.00 1.00 O ATOM 35 CB LEU A 3 49.274 9.739 0.738 1.00 1.00 C ATOM 36 CG LEU A 3 48.131 8.734 0.891 1.00 1.00 C ATOM 37 CD1 LEU A 3 47.709 8.660 2.360 1.00 1.00 C ATOM 38 CD2 LEU A 3 46.941 9.183 0.041 1.00 1.00 C ATOM 0 H LEU A 3 50.082 7.872 -0.747 1.00 1.00 H new ATOM 0 HA LEU A 3 51.407 9.783 1.032 1.00 1.00 H new ATOM 0 HB2 LEU A 3 49.155 10.551 1.455 1.00 1.00 H new ATOM 0 HB3 LEU A 3 49.248 10.185 -0.256 1.00 1.00 H new ATOM 0 HG LEU A 3 48.465 7.751 0.559 1.00 1.00 H new ATOM 0 HD11 LEU A 3 46.895 7.944 2.469 1.00 1.00 H new ATOM 0 HD12 LEU A 3 48.557 8.341 2.966 1.00 1.00 H new ATOM 0 HD13 LEU A 3 47.375 9.643 2.693 1.00 1.00 H new ATOM 0 HD21 LEU A 3 46.126 8.467 0.149 1.00 1.00 H new ATOM 0 HD22 LEU A 3 46.607 10.166 0.373 1.00 1.00 H new ATOM 0 HD23 LEU A 3 47.241 9.236 -1.006 1.00 1.00 H new ATOM 50 N GLU A 4 50.024 7.041 2.212 1.00 1.00 N ATOM 51 CA GLU A 4 49.953 6.201 3.441 1.00 1.00 C ATOM 52 C GLU A 4 51.338 5.586 3.700 1.00 1.00 C ATOM 53 O GLU A 4 51.882 4.912 2.849 1.00 1.00 O ATOM 54 CB GLU A 4 48.918 5.083 3.225 1.00 1.00 C ATOM 55 CG GLU A 4 48.067 4.919 4.486 1.00 1.00 C ATOM 56 CD GLU A 4 48.905 4.264 5.586 1.00 1.00 C ATOM 57 OE1 GLU A 4 50.054 3.950 5.320 1.00 1.00 O ATOM 58 OE2 GLU A 4 48.384 4.088 6.675 1.00 1.00 O ATOM 0 H GLU A 4 49.622 6.620 1.375 1.00 1.00 H new ATOM 0 HA GLU A 4 49.656 6.806 4.298 1.00 1.00 H new ATOM 0 HB2 GLU A 4 48.281 5.323 2.373 1.00 1.00 H new ATOM 0 HB3 GLU A 4 49.424 4.146 2.991 1.00 1.00 H new ATOM 0 HG2 GLU A 4 47.703 5.890 4.821 1.00 1.00 H new ATOM 0 HG3 GLU A 4 47.191 4.308 4.269 1.00 1.00 H new ATOM 65 N PRO A 5 51.914 5.814 4.858 1.00 1.00 N ATOM 66 CA PRO A 5 53.257 5.267 5.197 1.00 1.00 C ATOM 67 C PRO A 5 53.444 3.828 4.691 1.00 1.00 C ATOM 68 O PRO A 5 52.531 3.028 4.738 1.00 1.00 O ATOM 69 CB PRO A 5 53.275 5.312 6.724 1.00 1.00 C ATOM 70 CG PRO A 5 52.405 6.473 7.080 1.00 1.00 C ATOM 71 CD PRO A 5 51.359 6.607 5.967 1.00 1.00 C ATOM 0 HA PRO A 5 54.064 5.834 4.732 1.00 1.00 H new ATOM 0 HB2 PRO A 5 52.893 4.385 7.152 1.00 1.00 H new ATOM 0 HB3 PRO A 5 54.288 5.445 7.104 1.00 1.00 H new ATOM 0 HG2 PRO A 5 51.923 6.313 8.045 1.00 1.00 H new ATOM 0 HG3 PRO A 5 52.995 7.385 7.166 1.00 1.00 H new ATOM 0 HD2 PRO A 5 50.388 6.225 6.284 1.00 1.00 H new ATOM 0 HD3 PRO A 5 51.214 7.648 5.679 1.00 1.00 H new ATOM 79 N PRO A 6 54.620 3.498 4.211 1.00 1.00 N ATOM 80 CA PRO A 6 54.921 2.131 3.691 1.00 1.00 C ATOM 81 C PRO A 6 55.065 1.105 4.820 1.00 1.00 C ATOM 82 O PRO A 6 55.195 1.458 5.975 1.00 1.00 O ATOM 83 CB PRO A 6 56.250 2.310 2.953 1.00 1.00 C ATOM 84 CG PRO A 6 56.911 3.469 3.623 1.00 1.00 C ATOM 85 CD PRO A 6 55.789 4.388 4.114 1.00 1.00 C ATOM 0 HA PRO A 6 54.121 1.749 3.057 1.00 1.00 H new ATOM 0 HB2 PRO A 6 56.864 1.412 3.022 1.00 1.00 H new ATOM 0 HB3 PRO A 6 56.089 2.506 1.893 1.00 1.00 H new ATOM 0 HG2 PRO A 6 57.530 3.134 4.455 1.00 1.00 H new ATOM 0 HG3 PRO A 6 57.567 3.995 2.929 1.00 1.00 H new ATOM 0 HD2 PRO A 6 56.032 4.835 5.078 1.00 1.00 H new ATOM 0 HD3 PRO A 6 55.611 5.208 3.418 1.00 1.00 H new ATOM 93 N LYS A 7 55.039 -0.160 4.493 1.00 1.00 N ATOM 94 CA LYS A 7 55.173 -1.215 5.542 1.00 1.00 C ATOM 95 C LYS A 7 56.260 -0.815 6.543 1.00 1.00 C ATOM 96 O LYS A 7 56.020 -0.062 7.464 1.00 1.00 O ATOM 97 CB LYS A 7 55.552 -2.546 4.882 1.00 1.00 C ATOM 98 CG LYS A 7 54.499 -2.922 3.838 1.00 1.00 C ATOM 99 CD LYS A 7 55.018 -2.577 2.441 1.00 1.00 C ATOM 100 CE LYS A 7 53.845 -2.513 1.461 1.00 1.00 C ATOM 101 NZ LYS A 7 52.930 -1.405 1.853 1.00 1.00 N ATOM 0 H LYS A 7 54.930 -0.510 3.541 1.00 1.00 H new ATOM 0 HA LYS A 7 54.223 -1.324 6.066 1.00 1.00 H new ATOM 0 HB2 LYS A 7 56.532 -2.464 4.411 1.00 1.00 H new ATOM 0 HB3 LYS A 7 55.626 -3.329 5.637 1.00 1.00 H new ATOM 0 HG2 LYS A 7 54.273 -3.987 3.901 1.00 1.00 H new ATOM 0 HG3 LYS A 7 53.570 -2.387 4.034 1.00 1.00 H new ATOM 0 HD2 LYS A 7 55.541 -1.621 2.462 1.00 1.00 H new ATOM 0 HD3 LYS A 7 55.738 -3.327 2.114 1.00 1.00 H new ATOM 0 HE2 LYS A 7 54.213 -2.354 0.447 1.00 1.00 H new ATOM 0 HE3 LYS A 7 53.306 -3.461 1.460 1.00 1.00 H new ATOM 0 HZ1 LYS A 7 52.414 -1.068 1.015 1.00 1.00 H new ATOM 0 HZ2 LYS A 7 52.252 -1.749 2.562 1.00 1.00 H new ATOM 0 HZ3 LYS A 7 53.485 -0.623 2.256 1.00 1.00 H new ATOM 115 N ALA A 8 57.452 -1.314 6.364 1.00 1.00 N ATOM 116 CA ALA A 8 58.566 -0.968 7.296 1.00 1.00 C ATOM 117 C ALA A 8 58.186 -1.338 8.733 1.00 1.00 C ATOM 118 O ALA A 8 58.710 -2.277 9.299 1.00 1.00 O ATOM 119 CB ALA A 8 58.854 0.533 7.216 1.00 1.00 C ATOM 0 H ALA A 8 57.705 -1.950 5.608 1.00 1.00 H new ATOM 0 HA ALA A 8 59.455 -1.528 7.007 1.00 1.00 H new ATOM 0 HB1 ALA A 8 59.667 0.784 7.897 1.00 1.00 H new ATOM 0 HB2 ALA A 8 59.140 0.795 6.197 1.00 1.00 H new ATOM 0 HB3 ALA A 8 57.960 1.090 7.497 1.00 1.00 H new ATOM 125 N GLU A 9 57.286 -0.604 9.329 1.00 1.00 N ATOM 126 CA GLU A 9 56.876 -0.908 10.730 1.00 1.00 C ATOM 127 C GLU A 9 58.116 -0.926 11.629 1.00 1.00 C ATOM 128 O GLU A 9 59.107 -0.285 11.342 1.00 1.00 O ATOM 129 CB GLU A 9 56.178 -2.270 10.778 1.00 1.00 C ATOM 130 CG GLU A 9 54.834 -2.180 10.052 1.00 1.00 C ATOM 131 CD GLU A 9 54.197 -3.569 9.982 1.00 1.00 C ATOM 132 OE1 GLU A 9 54.415 -4.345 10.898 1.00 1.00 O ATOM 133 OE2 GLU A 9 53.501 -3.832 9.015 1.00 1.00 O ATOM 0 H GLU A 9 56.816 0.195 8.905 1.00 1.00 H new ATOM 0 HA GLU A 9 56.185 -0.142 11.083 1.00 1.00 H new ATOM 0 HB2 GLU A 9 56.806 -3.029 10.311 1.00 1.00 H new ATOM 0 HB3 GLU A 9 56.025 -2.576 11.813 1.00 1.00 H new ATOM 0 HG2 GLU A 9 54.172 -1.491 10.575 1.00 1.00 H new ATOM 0 HG3 GLU A 9 54.977 -1.783 9.047 1.00 1.00 H new ATOM 140 N CYS A 10 58.065 -1.649 12.717 1.00 1.00 N ATOM 141 CA CYS A 10 59.235 -1.703 13.640 1.00 1.00 C ATOM 142 C CYS A 10 59.613 -0.283 14.070 1.00 1.00 C ATOM 143 O CYS A 10 60.031 0.530 13.270 1.00 1.00 O ATOM 144 CB CYS A 10 60.423 -2.361 12.930 1.00 1.00 C ATOM 145 SG CYS A 10 60.359 -4.152 13.182 1.00 1.00 S ATOM 0 H CYS A 10 57.261 -2.206 13.006 1.00 1.00 H new ATOM 0 HA CYS A 10 58.974 -2.290 14.521 1.00 1.00 H new ATOM 0 HB2 CYS A 10 60.396 -2.132 11.865 1.00 1.00 H new ATOM 0 HB3 CYS A 10 61.360 -1.961 13.319 1.00 1.00 H new ATOM 150 N ARG A 11 59.468 0.018 15.332 1.00 1.00 N ATOM 151 CA ARG A 11 59.815 1.383 15.826 1.00 1.00 C ATOM 152 C ARG A 11 59.248 2.433 14.864 1.00 1.00 C ATOM 153 O ARG A 11 58.372 2.150 14.070 1.00 1.00 O ATOM 154 CB ARG A 11 61.341 1.518 15.914 1.00 1.00 C ATOM 155 CG ARG A 11 61.710 2.375 17.127 1.00 1.00 C ATOM 156 CD ARG A 11 63.230 2.533 17.198 1.00 1.00 C ATOM 157 NE ARG A 11 63.836 1.274 17.716 1.00 1.00 N ATOM 158 CZ ARG A 11 65.086 0.999 17.461 1.00 1.00 C ATOM 159 NH1 ARG A 11 65.805 1.826 16.753 1.00 1.00 N ATOM 160 NH2 ARG A 11 65.617 -0.103 17.914 1.00 1.00 N ATOM 0 H ARG A 11 59.123 -0.624 16.045 1.00 1.00 H new ATOM 0 HA ARG A 11 59.385 1.538 16.815 1.00 1.00 H new ATOM 0 HB2 ARG A 11 61.799 0.533 15.999 1.00 1.00 H new ATOM 0 HB3 ARG A 11 61.729 1.973 15.003 1.00 1.00 H new ATOM 0 HG2 ARG A 11 61.235 3.353 17.052 1.00 1.00 H new ATOM 0 HG3 ARG A 11 61.339 1.910 18.040 1.00 1.00 H new ATOM 0 HD2 ARG A 11 63.629 2.762 16.210 1.00 1.00 H new ATOM 0 HD3 ARG A 11 63.490 3.369 17.848 1.00 1.00 H new ATOM 0 HE ARG A 11 63.274 0.627 18.270 1.00 1.00 H new ATOM 0 HH11 ARG A 11 65.390 2.688 16.399 1.00 1.00 H new ATOM 0 HH12 ARG A 11 66.782 1.611 16.554 1.00 1.00 H new ATOM 0 HH21 ARG A 11 65.055 -0.750 18.468 1.00 1.00 H new ATOM 0 HH22 ARG A 11 66.594 -0.318 17.715 1.00 1.00 H new ATOM 174 N SER A 12 59.737 3.642 14.927 1.00 1.00 N ATOM 175 CA SER A 12 59.219 4.700 14.015 1.00 1.00 C ATOM 176 C SER A 12 59.936 6.021 14.303 1.00 1.00 C ATOM 177 O SER A 12 59.752 7.002 13.610 1.00 1.00 O ATOM 178 CB SER A 12 57.716 4.875 14.239 1.00 1.00 C ATOM 179 OG SER A 12 57.327 6.176 13.820 1.00 1.00 O ATOM 0 H SER A 12 60.471 3.942 15.569 1.00 1.00 H new ATOM 0 HA SER A 12 59.401 4.408 12.981 1.00 1.00 H new ATOM 0 HB2 SER A 12 57.163 4.120 13.680 1.00 1.00 H new ATOM 0 HB3 SER A 12 57.475 4.732 15.292 1.00 1.00 H new ATOM 0 HG SER A 12 58.051 6.582 13.299 1.00 1.00 H new ATOM 185 N ALA A 13 60.755 6.053 15.320 1.00 1.00 N ATOM 186 CA ALA A 13 61.488 7.309 15.653 1.00 1.00 C ATOM 187 C ALA A 13 62.893 7.250 15.049 1.00 1.00 C ATOM 188 O ALA A 13 63.621 8.223 15.049 1.00 1.00 O ATOM 189 CB ALA A 13 61.592 7.451 17.173 1.00 1.00 C ATOM 0 H ALA A 13 60.948 5.263 15.935 1.00 1.00 H new ATOM 0 HA ALA A 13 60.950 8.165 15.245 1.00 1.00 H new ATOM 0 HB1 ALA A 13 62.128 8.369 17.417 1.00 1.00 H new ATOM 0 HB2 ALA A 13 60.592 7.489 17.604 1.00 1.00 H new ATOM 0 HB3 ALA A 13 62.131 6.597 17.582 1.00 1.00 H new ATOM 195 N THR A 14 63.279 6.115 14.534 1.00 1.00 N ATOM 196 CA THR A 14 64.635 5.992 13.931 1.00 1.00 C ATOM 197 C THR A 14 64.671 4.771 13.006 1.00 1.00 C ATOM 198 O THR A 14 65.719 4.230 12.716 1.00 1.00 O ATOM 199 CB THR A 14 65.675 5.825 15.046 1.00 1.00 C ATOM 200 OG1 THR A 14 65.321 6.648 16.148 1.00 1.00 O ATOM 201 CG2 THR A 14 67.054 6.232 14.525 1.00 1.00 C ATOM 0 H THR A 14 62.713 5.267 14.505 1.00 1.00 H new ATOM 0 HA THR A 14 64.863 6.889 13.355 1.00 1.00 H new ATOM 0 HB THR A 14 65.703 4.783 15.364 1.00 1.00 H new ATOM 0 HG1 THR A 14 64.989 7.509 15.820 1.00 1.00 H new ATOM 0 HG21 THR A 14 67.792 6.113 15.318 1.00 1.00 H new ATOM 0 HG22 THR A 14 67.325 5.600 13.679 1.00 1.00 H new ATOM 0 HG23 THR A 14 67.029 7.274 14.206 1.00 1.00 H new ATOM 209 N ARG A 15 63.532 4.333 12.541 1.00 1.00 N ATOM 210 CA ARG A 15 63.502 3.148 11.638 1.00 1.00 C ATOM 211 C ARG A 15 63.777 3.591 10.202 1.00 1.00 C ATOM 212 O ARG A 15 64.867 3.432 9.690 1.00 1.00 O ATOM 213 CB ARG A 15 62.123 2.483 11.712 1.00 1.00 C ATOM 214 CG ARG A 15 62.164 1.131 10.996 1.00 1.00 C ATOM 215 CD ARG A 15 62.706 0.065 11.950 1.00 1.00 C ATOM 216 NE ARG A 15 64.194 0.141 11.985 1.00 1.00 N ATOM 217 CZ ARG A 15 64.891 -0.237 10.949 1.00 1.00 C ATOM 218 NH1 ARG A 15 64.286 -0.681 9.882 1.00 1.00 N ATOM 219 NH2 ARG A 15 66.194 -0.170 10.981 1.00 1.00 N ATOM 0 H ARG A 15 62.622 4.745 12.748 1.00 1.00 H new ATOM 0 HA ARG A 15 64.266 2.436 11.950 1.00 1.00 H new ATOM 0 HB2 ARG A 15 61.830 2.346 12.753 1.00 1.00 H new ATOM 0 HB3 ARG A 15 61.373 3.126 11.252 1.00 1.00 H new ATOM 0 HG2 ARG A 15 61.165 0.857 10.657 1.00 1.00 H new ATOM 0 HG3 ARG A 15 62.795 1.196 10.110 1.00 1.00 H new ATOM 0 HD2 ARG A 15 62.300 0.216 12.950 1.00 1.00 H new ATOM 0 HD3 ARG A 15 62.389 -0.926 11.624 1.00 1.00 H new ATOM 0 HE ARG A 15 64.667 0.489 12.819 1.00 1.00 H new ATOM 0 HH11 ARG A 15 63.268 -0.733 9.857 1.00 1.00 H new ATOM 0 HH12 ARG A 15 64.831 -0.976 9.072 1.00 1.00 H new ATOM 0 HH21 ARG A 15 66.666 0.178 11.815 1.00 1.00 H new ATOM 0 HH22 ARG A 15 66.740 -0.465 10.172 1.00 1.00 H new ATOM 233 N VAL A 16 62.794 4.142 9.547 1.00 1.00 N ATOM 234 CA VAL A 16 62.990 4.593 8.142 1.00 1.00 C ATOM 235 C VAL A 16 63.313 6.089 8.128 1.00 1.00 C ATOM 236 O VAL A 16 64.280 6.530 8.719 1.00 1.00 O ATOM 237 CB VAL A 16 61.703 4.335 7.356 1.00 1.00 C ATOM 238 CG1 VAL A 16 61.902 4.752 5.898 1.00 1.00 C ATOM 239 CG2 VAL A 16 61.360 2.845 7.417 1.00 1.00 C ATOM 0 H VAL A 16 61.860 4.300 9.926 1.00 1.00 H new ATOM 0 HA VAL A 16 63.815 4.045 7.686 1.00 1.00 H new ATOM 0 HB VAL A 16 60.889 4.915 7.791 1.00 1.00 H new ATOM 0 HG11 VAL A 16 60.985 4.568 5.339 1.00 1.00 H new ATOM 0 HG12 VAL A 16 62.148 5.813 5.853 1.00 1.00 H new ATOM 0 HG13 VAL A 16 62.716 4.173 5.462 1.00 1.00 H new ATOM 0 HG21 VAL A 16 60.443 2.659 6.857 1.00 1.00 H new ATOM 0 HG22 VAL A 16 62.174 2.266 6.981 1.00 1.00 H new ATOM 0 HG23 VAL A 16 61.218 2.547 8.456 1.00 1.00 H new ATOM 249 N MET A 17 62.515 6.872 7.458 1.00 1.00 N ATOM 250 CA MET A 17 62.778 8.337 7.404 1.00 1.00 C ATOM 251 C MET A 17 62.756 8.915 8.820 1.00 1.00 C ATOM 252 O MET A 17 62.137 8.373 9.714 1.00 1.00 O ATOM 253 CB MET A 17 61.700 9.017 6.559 1.00 1.00 C ATOM 254 CG MET A 17 61.860 8.601 5.096 1.00 1.00 C ATOM 255 SD MET A 17 60.359 9.027 4.179 1.00 1.00 S ATOM 256 CE MET A 17 60.899 8.416 2.563 1.00 1.00 C ATOM 0 H MET A 17 61.691 6.560 6.945 1.00 1.00 H new ATOM 0 HA MET A 17 63.756 8.513 6.957 1.00 1.00 H new ATOM 0 HB2 MET A 17 60.710 8.739 6.921 1.00 1.00 H new ATOM 0 HB3 MET A 17 61.780 10.100 6.651 1.00 1.00 H new ATOM 0 HG2 MET A 17 62.722 9.103 4.656 1.00 1.00 H new ATOM 0 HG3 MET A 17 62.047 7.529 5.030 1.00 1.00 H new ATOM 0 HE1 MET A 17 60.110 8.581 1.829 1.00 1.00 H new ATOM 0 HE2 MET A 17 61.798 8.949 2.254 1.00 1.00 H new ATOM 0 HE3 MET A 17 61.114 7.350 2.631 1.00 1.00 H new ATOM 266 N GLY A 18 63.429 10.015 9.028 1.00 1.00 N ATOM 267 CA GLY A 18 63.452 10.641 10.383 1.00 1.00 C ATOM 268 C GLY A 18 63.344 12.159 10.236 1.00 1.00 C ATOM 269 O GLY A 18 64.189 12.900 10.698 1.00 1.00 O ATOM 0 H GLY A 18 63.966 10.509 8.315 1.00 1.00 H new ATOM 0 HA2 GLY A 18 62.627 10.262 10.986 1.00 1.00 H new ATOM 0 HA3 GLY A 18 64.373 10.378 10.903 1.00 1.00 H new ATOM 273 N GLY A 19 62.311 12.625 9.589 1.00 1.00 N ATOM 274 CA GLY A 19 62.146 14.094 9.404 1.00 1.00 C ATOM 275 C GLY A 19 62.968 14.545 8.194 1.00 1.00 C ATOM 276 O GLY A 19 63.621 13.748 7.550 1.00 1.00 O ATOM 0 H GLY A 19 61.574 12.051 9.180 1.00 1.00 H new ATOM 0 HA2 GLY A 19 61.094 14.338 9.255 1.00 1.00 H new ATOM 0 HA3 GLY A 19 62.473 14.624 10.299 1.00 1.00 H new ATOM 280 N PRO A 20 62.934 15.815 7.888 1.00 1.00 N ATOM 281 CA PRO A 20 63.688 16.389 6.733 1.00 1.00 C ATOM 282 C PRO A 20 65.187 16.058 6.787 1.00 1.00 C ATOM 283 O PRO A 20 66.018 16.926 6.966 1.00 1.00 O ATOM 284 CB PRO A 20 63.464 17.903 6.861 1.00 1.00 C ATOM 285 CG PRO A 20 62.222 18.053 7.674 1.00 1.00 C ATOM 286 CD PRO A 20 62.168 16.844 8.608 1.00 1.00 C ATOM 0 HA PRO A 20 63.342 15.978 5.785 1.00 1.00 H new ATOM 0 HB2 PRO A 20 64.312 18.386 7.347 1.00 1.00 H new ATOM 0 HB3 PRO A 20 63.351 18.368 5.881 1.00 1.00 H new ATOM 0 HG2 PRO A 20 62.240 18.983 8.243 1.00 1.00 H new ATOM 0 HG3 PRO A 20 61.341 18.089 7.034 1.00 1.00 H new ATOM 0 HD2 PRO A 20 62.611 17.067 9.579 1.00 1.00 H new ATOM 0 HD3 PRO A 20 61.142 16.525 8.792 1.00 1.00 H new ATOM 294 N CYS A 21 65.541 14.810 6.631 1.00 1.00 N ATOM 295 CA CYS A 21 66.984 14.438 6.670 1.00 1.00 C ATOM 296 C CYS A 21 67.680 14.975 5.417 1.00 1.00 C ATOM 297 O CYS A 21 67.670 14.350 4.376 1.00 1.00 O ATOM 298 CB CYS A 21 67.113 12.913 6.715 1.00 1.00 C ATOM 299 SG CYS A 21 68.793 12.432 6.245 1.00 1.00 S ATOM 0 H CYS A 21 64.895 14.035 6.479 1.00 1.00 H new ATOM 0 HA CYS A 21 67.450 14.868 7.556 1.00 1.00 H new ATOM 0 HB2 CYS A 21 66.886 12.548 7.717 1.00 1.00 H new ATOM 0 HB3 CYS A 21 66.390 12.457 6.038 1.00 1.00 H new ATOM 304 N THR A 22 68.290 16.127 5.509 1.00 1.00 N ATOM 305 CA THR A 22 68.992 16.694 4.321 1.00 1.00 C ATOM 306 C THR A 22 70.251 17.443 4.777 1.00 1.00 C ATOM 307 O THR A 22 70.185 18.599 5.144 1.00 1.00 O ATOM 308 CB THR A 22 68.060 17.672 3.597 1.00 1.00 C ATOM 309 OG1 THR A 22 68.837 18.652 2.923 1.00 1.00 O ATOM 310 CG2 THR A 22 67.143 18.354 4.614 1.00 1.00 C ATOM 0 H THR A 22 68.332 16.698 6.353 1.00 1.00 H new ATOM 0 HA THR A 22 69.272 15.884 3.647 1.00 1.00 H new ATOM 0 HB THR A 22 67.453 17.128 2.873 1.00 1.00 H new ATOM 0 HG1 THR A 22 69.300 19.211 3.581 1.00 1.00 H new ATOM 0 HG21 THR A 22 66.481 19.049 4.098 1.00 1.00 H new ATOM 0 HG22 THR A 22 66.548 17.601 5.130 1.00 1.00 H new ATOM 0 HG23 THR A 22 67.746 18.899 5.340 1.00 1.00 H new ATOM 318 N PRO A 23 71.393 16.804 4.735 1.00 1.00 N ATOM 319 CA PRO A 23 72.679 17.448 5.133 1.00 1.00 C ATOM 320 C PRO A 23 72.991 18.664 4.254 1.00 1.00 C ATOM 321 O PRO A 23 73.053 19.784 4.720 1.00 1.00 O ATOM 322 CB PRO A 23 73.736 16.351 4.927 1.00 1.00 C ATOM 323 CG PRO A 23 72.977 15.066 4.852 1.00 1.00 C ATOM 324 CD PRO A 23 71.586 15.409 4.314 1.00 1.00 C ATOM 0 HA PRO A 23 72.648 17.818 6.158 1.00 1.00 H new ATOM 0 HB2 PRO A 23 74.306 16.523 4.014 1.00 1.00 H new ATOM 0 HB3 PRO A 23 74.450 16.336 5.750 1.00 1.00 H new ATOM 0 HG2 PRO A 23 73.481 14.356 4.197 1.00 1.00 H new ATOM 0 HG3 PRO A 23 72.908 14.599 5.835 1.00 1.00 H new ATOM 0 HD2 PRO A 23 71.538 15.306 3.230 1.00 1.00 H new ATOM 0 HD3 PRO A 23 70.821 14.754 4.731 1.00 1.00 H new ATOM 332 N ARG A 24 73.177 18.443 2.982 1.00 1.00 N ATOM 333 CA ARG A 24 73.476 19.568 2.053 1.00 1.00 C ATOM 334 C ARG A 24 73.148 19.125 0.625 1.00 1.00 C ATOM 335 O ARG A 24 72.013 18.836 0.302 1.00 1.00 O ATOM 336 CB ARG A 24 74.962 19.935 2.144 1.00 1.00 C ATOM 337 CG ARG A 24 75.232 20.667 3.460 1.00 1.00 C ATOM 338 CD ARG A 24 76.537 21.457 3.347 1.00 1.00 C ATOM 339 NE ARG A 24 76.324 22.644 2.471 1.00 1.00 N ATOM 340 CZ ARG A 24 75.702 23.694 2.934 1.00 1.00 C ATOM 341 NH1 ARG A 24 75.266 23.704 4.164 1.00 1.00 N ATOM 342 NH2 ARG A 24 75.516 24.733 2.167 1.00 1.00 N ATOM 0 H ARG A 24 73.134 17.523 2.543 1.00 1.00 H new ATOM 0 HA ARG A 24 72.877 20.438 2.323 1.00 1.00 H new ATOM 0 HB2 ARG A 24 75.573 19.034 2.085 1.00 1.00 H new ATOM 0 HB3 ARG A 24 75.243 20.566 1.301 1.00 1.00 H new ATOM 0 HG2 ARG A 24 74.406 21.340 3.690 1.00 1.00 H new ATOM 0 HG3 ARG A 24 75.298 19.951 4.280 1.00 1.00 H new ATOM 0 HD2 ARG A 24 76.869 21.776 4.335 1.00 1.00 H new ATOM 0 HD3 ARG A 24 77.323 20.824 2.936 1.00 1.00 H new ATOM 0 HE ARG A 24 76.664 22.636 1.510 1.00 1.00 H new ATOM 0 HH11 ARG A 24 75.411 22.891 4.763 1.00 1.00 H new ATOM 0 HH12 ARG A 24 74.780 24.524 4.526 1.00 1.00 H new ATOM 0 HH21 ARG A 24 75.857 24.725 1.206 1.00 1.00 H new ATOM 0 HH22 ARG A 24 75.030 25.554 2.529 1.00 1.00 H new ATOM 356 N LYS A 25 74.136 19.063 -0.228 1.00 1.00 N ATOM 357 CA LYS A 25 73.895 18.631 -1.636 1.00 1.00 C ATOM 358 C LYS A 25 74.781 17.424 -1.947 1.00 1.00 C ATOM 359 O LYS A 25 75.891 17.316 -1.464 1.00 1.00 O ATOM 360 CB LYS A 25 74.236 19.778 -2.589 1.00 1.00 C ATOM 361 CG LYS A 25 75.560 20.419 -2.168 1.00 1.00 C ATOM 362 CD LYS A 25 75.760 21.729 -2.933 1.00 1.00 C ATOM 363 CE LYS A 25 76.804 22.585 -2.215 1.00 1.00 C ATOM 364 NZ LYS A 25 76.248 23.063 -0.918 1.00 1.00 N ATOM 0 H LYS A 25 75.105 19.294 -0.009 1.00 1.00 H new ATOM 0 HA LYS A 25 72.847 18.359 -1.763 1.00 1.00 H new ATOM 0 HB2 LYS A 25 74.309 19.406 -3.611 1.00 1.00 H new ATOM 0 HB3 LYS A 25 73.440 20.523 -2.578 1.00 1.00 H new ATOM 0 HG2 LYS A 25 75.559 20.609 -1.095 1.00 1.00 H new ATOM 0 HG3 LYS A 25 76.386 19.738 -2.370 1.00 1.00 H new ATOM 0 HD2 LYS A 25 76.084 21.521 -3.953 1.00 1.00 H new ATOM 0 HD3 LYS A 25 74.816 22.270 -3.002 1.00 1.00 H new ATOM 0 HE2 LYS A 25 77.710 22.004 -2.042 1.00 1.00 H new ATOM 0 HE3 LYS A 25 77.084 23.434 -2.838 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 76.867 23.801 -0.526 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 75.297 23.454 -1.071 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 76.192 22.268 -0.250 1.00 1.00 H new ATOM 378 N GLY A 26 74.299 16.512 -2.744 1.00 1.00 N ATOM 379 CA GLY A 26 75.115 15.308 -3.075 1.00 1.00 C ATOM 380 C GLY A 26 76.170 15.673 -4.127 1.00 1.00 C ATOM 381 O GLY A 26 75.932 16.498 -4.987 1.00 1.00 O ATOM 0 H GLY A 26 73.378 16.547 -3.180 1.00 1.00 H new ATOM 0 HA2 GLY A 26 75.600 14.927 -2.176 1.00 1.00 H new ATOM 0 HA3 GLY A 26 74.472 14.513 -3.452 1.00 1.00 H new ATOM 385 N PRO A 27 77.328 15.059 -4.068 1.00 1.00 N ATOM 386 CA PRO A 27 78.427 15.325 -5.040 1.00 1.00 C ATOM 387 C PRO A 27 77.911 15.391 -6.485 1.00 1.00 C ATOM 388 O PRO A 27 76.851 14.883 -6.791 1.00 1.00 O ATOM 389 CB PRO A 27 79.364 14.128 -4.858 1.00 1.00 C ATOM 390 CG PRO A 27 79.153 13.677 -3.450 1.00 1.00 C ATOM 391 CD PRO A 27 77.714 14.046 -3.072 1.00 1.00 C ATOM 0 HA PRO A 27 78.910 16.286 -4.862 1.00 1.00 H new ATOM 0 HB2 PRO A 27 79.129 13.333 -5.566 1.00 1.00 H new ATOM 0 HB3 PRO A 27 80.403 14.411 -5.030 1.00 1.00 H new ATOM 0 HG2 PRO A 27 79.311 12.602 -3.362 1.00 1.00 H new ATOM 0 HG3 PRO A 27 79.864 14.160 -2.780 1.00 1.00 H new ATOM 0 HD2 PRO A 27 77.057 13.178 -3.112 1.00 1.00 H new ATOM 0 HD3 PRO A 27 77.658 14.442 -2.058 1.00 1.00 H new ATOM 399 N PRO A 28 78.656 16.007 -7.367 1.00 1.00 N ATOM 400 CA PRO A 28 78.265 16.130 -8.797 1.00 1.00 C ATOM 401 C PRO A 28 77.617 14.848 -9.330 1.00 1.00 C ATOM 402 O PRO A 28 77.911 13.760 -8.877 1.00 1.00 O ATOM 403 CB PRO A 28 79.595 16.400 -9.501 1.00 1.00 C ATOM 404 CG PRO A 28 80.431 17.111 -8.487 1.00 1.00 C ATOM 405 CD PRO A 28 79.953 16.651 -7.104 1.00 1.00 C ATOM 0 HA PRO A 28 77.520 16.909 -8.957 1.00 1.00 H new ATOM 0 HB2 PRO A 28 80.068 15.472 -9.821 1.00 1.00 H new ATOM 0 HB3 PRO A 28 79.453 17.010 -10.393 1.00 1.00 H new ATOM 0 HG2 PRO A 28 81.487 16.878 -8.627 1.00 1.00 H new ATOM 0 HG3 PRO A 28 80.327 18.191 -8.591 1.00 1.00 H new ATOM 0 HD2 PRO A 28 80.658 15.955 -6.650 1.00 1.00 H new ATOM 0 HD3 PRO A 28 79.849 17.492 -6.418 1.00 1.00 H new ATOM 413 N LYS A 29 76.735 14.968 -10.285 1.00 1.00 N ATOM 414 CA LYS A 29 76.069 13.756 -10.839 1.00 1.00 C ATOM 415 C LYS A 29 77.120 12.683 -11.135 1.00 1.00 C ATOM 416 O LYS A 29 77.692 12.636 -12.206 1.00 1.00 O ATOM 417 CB LYS A 29 75.330 14.124 -12.129 1.00 1.00 C ATOM 418 CG LYS A 29 76.158 15.140 -12.919 1.00 1.00 C ATOM 419 CD LYS A 29 75.559 15.310 -14.317 1.00 1.00 C ATOM 420 CE LYS A 29 76.147 16.559 -14.976 1.00 1.00 C ATOM 421 NZ LYS A 29 77.584 16.687 -14.603 1.00 1.00 N ATOM 0 H LYS A 29 76.447 15.852 -10.705 1.00 1.00 H new ATOM 0 HA LYS A 29 75.355 13.369 -10.111 1.00 1.00 H new ATOM 0 HB2 LYS A 29 75.160 13.231 -12.731 1.00 1.00 H new ATOM 0 HB3 LYS A 29 74.351 14.541 -11.894 1.00 1.00 H new ATOM 0 HG2 LYS A 29 76.171 16.098 -12.399 1.00 1.00 H new ATOM 0 HG3 LYS A 29 77.192 14.803 -12.993 1.00 1.00 H new ATOM 0 HD2 LYS A 29 75.772 14.431 -14.925 1.00 1.00 H new ATOM 0 HD3 LYS A 29 74.474 15.397 -14.251 1.00 1.00 H new ATOM 0 HE2 LYS A 29 76.046 16.494 -16.059 1.00 1.00 H new ATOM 0 HE3 LYS A 29 75.597 17.445 -14.657 1.00 1.00 H new ATOM 0 HZ1 LYS A 29 78.066 17.305 -15.287 1.00 1.00 H new ATOM 0 HZ2 LYS A 29 77.660 17.098 -13.651 1.00 1.00 H new ATOM 0 HZ3 LYS A 29 78.030 15.747 -14.611 1.00 1.00 H new ATOM 435 N CYS A 30 77.377 11.820 -10.190 1.00 1.00 N ATOM 436 CA CYS A 30 78.389 10.748 -10.409 1.00 1.00 C ATOM 437 C CYS A 30 77.880 9.776 -11.475 1.00 1.00 C ATOM 438 O CYS A 30 78.648 9.107 -12.137 1.00 1.00 O ATOM 439 CB CYS A 30 78.618 9.993 -9.098 1.00 1.00 C ATOM 440 SG CYS A 30 78.549 11.155 -7.712 1.00 1.00 S ATOM 0 H CYS A 30 76.929 11.811 -9.274 1.00 1.00 H new ATOM 0 HA CYS A 30 79.326 11.193 -10.743 1.00 1.00 H new ATOM 0 HB2 CYS A 30 77.861 9.218 -8.975 1.00 1.00 H new ATOM 0 HB3 CYS A 30 79.586 9.492 -9.119 1.00 1.00 H new ATOM 445 N LYS A 31 76.588 9.687 -11.641 1.00 1.00 N ATOM 446 CA LYS A 31 76.027 8.754 -12.659 1.00 1.00 C ATOM 447 C LYS A 31 76.735 8.965 -13.999 1.00 1.00 C ATOM 448 O LYS A 31 76.580 8.191 -14.922 1.00 1.00 O ATOM 449 CB LYS A 31 74.530 9.019 -12.822 1.00 1.00 C ATOM 450 CG LYS A 31 73.826 8.812 -11.480 1.00 1.00 C ATOM 451 CD LYS A 31 72.315 8.727 -11.703 1.00 1.00 C ATOM 452 CE LYS A 31 71.593 8.824 -10.358 1.00 1.00 C ATOM 453 NZ LYS A 31 71.669 10.224 -9.853 1.00 1.00 N ATOM 0 H LYS A 31 75.896 10.221 -11.115 1.00 1.00 H new ATOM 0 HA LYS A 31 76.181 7.726 -12.331 1.00 1.00 H new ATOM 0 HB2 LYS A 31 74.367 10.036 -13.177 1.00 1.00 H new ATOM 0 HB3 LYS A 31 74.111 8.348 -13.572 1.00 1.00 H new ATOM 0 HG2 LYS A 31 74.186 7.899 -11.006 1.00 1.00 H new ATOM 0 HG3 LYS A 31 74.059 9.635 -10.805 1.00 1.00 H new ATOM 0 HD2 LYS A 31 71.988 9.532 -12.362 1.00 1.00 H new ATOM 0 HD3 LYS A 31 72.062 7.789 -12.196 1.00 1.00 H new ATOM 0 HE2 LYS A 31 70.552 8.522 -10.470 1.00 1.00 H new ATOM 0 HE3 LYS A 31 72.047 8.142 -9.639 1.00 1.00 H new ATOM 0 HZ1 LYS A 31 70.912 10.384 -9.158 1.00 1.00 H new ATOM 0 HZ2 LYS A 31 72.593 10.380 -9.401 1.00 1.00 H new ATOM 0 HZ3 LYS A 31 71.555 10.886 -10.647 1.00 1.00 H new ATOM 467 N GLN A 32 77.513 10.006 -14.113 1.00 1.00 N ATOM 468 CA GLN A 32 78.231 10.261 -15.393 1.00 1.00 C ATOM 469 C GLN A 32 79.381 9.260 -15.531 1.00 1.00 C ATOM 470 O GLN A 32 79.914 9.051 -16.603 1.00 1.00 O ATOM 471 CB GLN A 32 78.782 11.694 -15.391 1.00 1.00 C ATOM 472 CG GLN A 32 78.731 12.264 -16.810 1.00 1.00 C ATOM 473 CD GLN A 32 79.456 11.317 -17.768 1.00 1.00 C ATOM 474 OE1 GLN A 32 78.792 10.345 -18.331 1.00 1.00 O flip ATOM 475 NE2 GLN A 32 80.639 11.462 -18.006 1.00 1.00 N flip ATOM 0 H GLN A 32 77.682 10.690 -13.376 1.00 1.00 H new ATOM 0 HA GLN A 32 77.546 10.143 -16.233 1.00 1.00 H new ATOM 0 HB2 GLN A 32 78.197 12.319 -14.716 1.00 1.00 H new ATOM 0 HB3 GLN A 32 79.808 11.700 -15.022 1.00 1.00 H new ATOM 0 HG2 GLN A 32 77.695 12.393 -17.124 1.00 1.00 H new ATOM 0 HG3 GLN A 32 79.197 13.249 -16.834 1.00 1.00 H new ATOM 0 HE21 GLN A 32 81.158 12.222 -17.566 1.00 1.00 H new ATOM 0 HE22 GLN A 32 81.112 10.824 -18.646 1.00 1.00 H new ATOM 484 N ARG A 33 79.764 8.638 -14.450 1.00 1.00 N ATOM 485 CA ARG A 33 80.877 7.647 -14.506 1.00 1.00 C ATOM 486 C ARG A 33 80.308 6.260 -14.815 1.00 1.00 C ATOM 487 O ARG A 33 79.240 6.128 -15.380 1.00 1.00 O ATOM 488 CB ARG A 33 81.594 7.614 -13.154 1.00 1.00 C ATOM 489 CG ARG A 33 82.320 8.941 -12.928 1.00 1.00 C ATOM 490 CD ARG A 33 82.721 9.061 -11.456 1.00 1.00 C ATOM 491 NE ARG A 33 84.173 9.379 -11.361 1.00 1.00 N ATOM 492 CZ ARG A 33 85.056 8.418 -11.408 1.00 1.00 C ATOM 493 NH1 ARG A 33 84.666 7.180 -11.538 1.00 1.00 N ATOM 494 NH2 ARG A 33 86.328 8.697 -11.325 1.00 1.00 N ATOM 0 H ARG A 33 79.353 8.774 -13.527 1.00 1.00 H new ATOM 0 HA ARG A 33 81.582 7.933 -15.286 1.00 1.00 H new ATOM 0 HB2 ARG A 33 80.875 7.440 -12.353 1.00 1.00 H new ATOM 0 HB3 ARG A 33 82.306 6.789 -13.128 1.00 1.00 H new ATOM 0 HG2 ARG A 33 83.205 8.996 -13.562 1.00 1.00 H new ATOM 0 HG3 ARG A 33 81.674 9.773 -13.209 1.00 1.00 H new ATOM 0 HD2 ARG A 33 82.134 9.841 -10.971 1.00 1.00 H new ATOM 0 HD3 ARG A 33 82.507 8.129 -10.933 1.00 1.00 H new ATOM 0 HE ARG A 33 84.478 10.347 -11.259 1.00 1.00 H new ATOM 0 HH11 ARG A 33 83.672 6.963 -11.603 1.00 1.00 H new ATOM 0 HH12 ARG A 33 85.356 6.429 -11.575 1.00 1.00 H new ATOM 0 HH21 ARG A 33 86.632 9.665 -11.223 1.00 1.00 H new ATOM 0 HH22 ARG A 33 87.018 7.947 -11.362 1.00 1.00 H new ATOM 508 N GLN A 34 81.013 5.224 -14.448 1.00 1.00 N ATOM 509 CA GLN A 34 80.512 3.847 -14.719 1.00 1.00 C ATOM 510 C GLN A 34 81.202 2.863 -13.768 1.00 1.00 C ATOM 511 O GLN A 34 81.165 3.025 -12.565 1.00 1.00 O ATOM 512 CB GLN A 34 80.822 3.471 -16.171 1.00 1.00 C ATOM 513 CG GLN A 34 79.961 2.276 -16.584 1.00 1.00 C ATOM 514 CD GLN A 34 78.513 2.730 -16.774 1.00 1.00 C ATOM 515 OE1 GLN A 34 77.625 2.276 -16.080 1.00 1.00 O ATOM 516 NE2 GLN A 34 78.235 3.615 -17.693 1.00 1.00 N ATOM 0 H GLN A 34 81.914 5.272 -13.972 1.00 1.00 H new ATOM 0 HA GLN A 34 79.434 3.807 -14.560 1.00 1.00 H new ATOM 0 HB2 GLN A 34 80.625 4.319 -16.827 1.00 1.00 H new ATOM 0 HB3 GLN A 34 81.879 3.225 -16.276 1.00 1.00 H new ATOM 0 HG2 GLN A 34 80.342 1.843 -17.509 1.00 1.00 H new ATOM 0 HG3 GLN A 34 80.012 1.497 -15.823 1.00 1.00 H new ATOM 0 HE21 GLN A 34 78.980 3.996 -18.276 1.00 1.00 H new ATOM 0 HE22 GLN A 34 77.273 3.925 -17.828 1.00 1.00 H new ATOM 525 N THR A 35 81.832 1.847 -14.297 1.00 1.00 N ATOM 526 CA THR A 35 82.527 0.855 -13.421 1.00 1.00 C ATOM 527 C THR A 35 83.921 0.569 -13.983 1.00 1.00 C ATOM 528 O THR A 35 84.718 1.466 -14.173 1.00 1.00 O ATOM 529 CB THR A 35 81.717 -0.446 -13.374 1.00 1.00 C ATOM 530 OG1 THR A 35 82.472 -1.448 -12.707 1.00 1.00 O ATOM 531 CG2 THR A 35 81.402 -0.905 -14.799 1.00 1.00 C ATOM 0 H THR A 35 81.896 1.660 -15.298 1.00 1.00 H new ATOM 0 HA THR A 35 82.617 1.261 -12.413 1.00 1.00 H new ATOM 0 HB THR A 35 80.785 -0.275 -12.836 1.00 1.00 H new ATOM 0 HG1 THR A 35 83.037 -1.031 -12.024 1.00 1.00 H new ATOM 0 HG21 THR A 35 80.826 -1.830 -14.764 1.00 1.00 H new ATOM 0 HG22 THR A 35 80.823 -0.136 -15.309 1.00 1.00 H new ATOM 0 HG23 THR A 35 82.333 -1.077 -15.340 1.00 1.00 H new ATOM 539 N ARG A 36 84.221 -0.674 -14.248 1.00 1.00 N ATOM 540 CA ARG A 36 85.564 -1.024 -14.797 1.00 1.00 C ATOM 541 C ARG A 36 86.651 -0.679 -13.773 1.00 1.00 C ATOM 542 O ARG A 36 87.762 -1.164 -13.850 1.00 1.00 O ATOM 543 CB ARG A 36 85.811 -0.246 -16.095 1.00 1.00 C ATOM 544 CG ARG A 36 84.526 -0.212 -16.924 1.00 1.00 C ATOM 545 CD ARG A 36 84.871 0.045 -18.392 1.00 1.00 C ATOM 546 NE ARG A 36 83.637 0.429 -19.133 1.00 1.00 N ATOM 547 CZ ARG A 36 83.575 0.265 -20.427 1.00 1.00 C ATOM 548 NH1 ARG A 36 84.594 -0.235 -21.071 1.00 1.00 N ATOM 549 NH2 ARG A 36 82.494 0.602 -21.076 1.00 1.00 N ATOM 0 H ARG A 36 83.592 -1.465 -14.108 1.00 1.00 H new ATOM 0 HA ARG A 36 85.597 -2.093 -15.006 1.00 1.00 H new ATOM 0 HB2 ARG A 36 86.135 0.769 -15.866 1.00 1.00 H new ATOM 0 HB3 ARG A 36 86.612 -0.716 -16.666 1.00 1.00 H new ATOM 0 HG2 ARG A 36 83.992 -1.157 -16.825 1.00 1.00 H new ATOM 0 HG3 ARG A 36 83.862 0.569 -16.553 1.00 1.00 H new ATOM 0 HD2 ARG A 36 85.615 0.838 -18.468 1.00 1.00 H new ATOM 0 HD3 ARG A 36 85.311 -0.849 -18.835 1.00 1.00 H new ATOM 0 HE ARG A 36 82.841 0.820 -18.630 1.00 1.00 H new ATOM 0 HH11 ARG A 36 85.439 -0.498 -20.564 1.00 1.00 H new ATOM 0 HH12 ARG A 36 84.545 -0.363 -22.082 1.00 1.00 H new ATOM 0 HH21 ARG A 36 81.698 0.993 -20.572 1.00 1.00 H new ATOM 0 HH22 ARG A 36 82.445 0.474 -22.087 1.00 1.00 H new ATOM 563 N GLN A 37 86.341 0.149 -12.812 1.00 1.00 N ATOM 564 CA GLN A 37 87.360 0.513 -11.786 1.00 1.00 C ATOM 565 C GLN A 37 87.421 -0.594 -10.728 1.00 1.00 C ATOM 566 O GLN A 37 87.478 -0.335 -9.542 1.00 1.00 O ATOM 567 CB GLN A 37 86.969 1.847 -11.131 1.00 1.00 C ATOM 568 CG GLN A 37 87.659 2.998 -11.866 1.00 1.00 C ATOM 569 CD GLN A 37 89.108 3.114 -11.388 1.00 1.00 C ATOM 570 OE1 GLN A 37 89.377 3.049 -10.205 1.00 1.00 O ATOM 571 NE2 GLN A 37 90.059 3.283 -12.265 1.00 1.00 N ATOM 0 H GLN A 37 85.428 0.588 -12.693 1.00 1.00 H new ATOM 0 HA GLN A 37 88.339 0.620 -12.253 1.00 1.00 H new ATOM 0 HB2 GLN A 37 85.887 1.977 -11.164 1.00 1.00 H new ATOM 0 HB3 GLN A 37 87.258 1.847 -10.080 1.00 1.00 H new ATOM 0 HG2 GLN A 37 87.633 2.824 -12.942 1.00 1.00 H new ATOM 0 HG3 GLN A 37 87.128 3.932 -11.681 1.00 1.00 H new ATOM 0 HE21 GLN A 37 89.833 3.338 -13.258 1.00 1.00 H new ATOM 0 HE22 GLN A 37 91.028 3.361 -11.957 1.00 1.00 H new ATOM 580 N CYS A 38 87.410 -1.829 -11.152 1.00 1.00 N ATOM 581 CA CYS A 38 87.466 -2.954 -10.176 1.00 1.00 C ATOM 582 C CYS A 38 88.192 -4.141 -10.815 1.00 1.00 C ATOM 583 O CYS A 38 87.847 -4.584 -11.893 1.00 1.00 O ATOM 584 CB CYS A 38 86.041 -3.368 -9.788 1.00 1.00 C ATOM 585 SG CYS A 38 84.883 -2.062 -10.267 1.00 1.00 S ATOM 0 H CYS A 38 87.365 -2.107 -12.132 1.00 1.00 H new ATOM 0 HA CYS A 38 88.003 -2.637 -9.282 1.00 1.00 H new ATOM 0 HB2 CYS A 38 85.775 -4.303 -10.281 1.00 1.00 H new ATOM 0 HB3 CYS A 38 85.982 -3.546 -8.714 1.00 1.00 H new ATOM 590 N LYS A 39 89.196 -4.660 -10.161 1.00 1.00 N ATOM 591 CA LYS A 39 89.940 -5.815 -10.736 1.00 1.00 C ATOM 592 C LYS A 39 90.761 -6.495 -9.638 1.00 1.00 C ATOM 593 O LYS A 39 91.138 -7.644 -9.754 1.00 1.00 O ATOM 594 CB LYS A 39 90.876 -5.318 -11.840 1.00 1.00 C ATOM 595 CG LYS A 39 91.951 -4.415 -11.232 1.00 1.00 C ATOM 596 CD LYS A 39 92.560 -3.537 -12.327 1.00 1.00 C ATOM 597 CE LYS A 39 93.880 -2.944 -11.831 1.00 1.00 C ATOM 598 NZ LYS A 39 94.966 -3.953 -11.981 1.00 1.00 N ATOM 0 H LYS A 39 89.532 -4.334 -9.255 1.00 1.00 H new ATOM 0 HA LYS A 39 89.232 -6.531 -11.153 1.00 1.00 H new ATOM 0 HB2 LYS A 39 91.341 -6.165 -12.345 1.00 1.00 H new ATOM 0 HB3 LYS A 39 90.309 -4.770 -12.592 1.00 1.00 H new ATOM 0 HG2 LYS A 39 91.517 -3.791 -10.450 1.00 1.00 H new ATOM 0 HG3 LYS A 39 92.727 -5.020 -10.763 1.00 1.00 H new ATOM 0 HD2 LYS A 39 92.730 -4.126 -13.228 1.00 1.00 H new ATOM 0 HD3 LYS A 39 91.868 -2.738 -12.594 1.00 1.00 H new ATOM 0 HE2 LYS A 39 94.123 -2.046 -12.398 1.00 1.00 H new ATOM 0 HE3 LYS A 39 93.787 -2.646 -10.787 1.00 1.00 H new ATOM 0 HZ1 LYS A 39 95.683 -3.803 -11.243 1.00 1.00 H new ATOM 0 HZ2 LYS A 39 94.567 -4.909 -11.888 1.00 1.00 H new ATOM 0 HZ3 LYS A 39 95.407 -3.852 -12.917 1.00 1.00 H new ATOM 612 N SER A 40 91.041 -5.796 -8.573 1.00 1.00 N ATOM 613 CA SER A 40 91.838 -6.405 -7.471 1.00 1.00 C ATOM 614 C SER A 40 90.931 -7.295 -6.619 1.00 1.00 C ATOM 615 O SER A 40 91.254 -7.632 -5.497 1.00 1.00 O ATOM 616 CB SER A 40 92.430 -5.298 -6.598 1.00 1.00 C ATOM 617 OG SER A 40 92.997 -4.296 -7.431 1.00 1.00 O ATOM 0 H SER A 40 90.753 -4.830 -8.418 1.00 1.00 H new ATOM 0 HA SER A 40 92.644 -7.005 -7.894 1.00 1.00 H new ATOM 0 HB2 SER A 40 91.656 -4.865 -5.965 1.00 1.00 H new ATOM 0 HB3 SER A 40 93.191 -5.710 -5.935 1.00 1.00 H new ATOM 0 HG SER A 40 93.376 -3.584 -6.875 1.00 1.00 H new ATOM 623 N LYS A 41 89.796 -7.676 -7.144 1.00 1.00 N ATOM 624 CA LYS A 41 88.859 -8.544 -6.370 1.00 1.00 C ATOM 625 C LYS A 41 88.901 -9.972 -6.936 1.00 1.00 C ATOM 626 O LYS A 41 88.352 -10.238 -7.987 1.00 1.00 O ATOM 627 CB LYS A 41 87.437 -7.985 -6.502 1.00 1.00 C ATOM 628 CG LYS A 41 87.497 -6.461 -6.621 1.00 1.00 C ATOM 629 CD LYS A 41 86.119 -5.870 -6.318 1.00 1.00 C ATOM 630 CE LYS A 41 85.995 -5.604 -4.816 1.00 1.00 C ATOM 631 NZ LYS A 41 84.564 -5.381 -4.468 1.00 1.00 N ATOM 0 H LYS A 41 89.476 -7.423 -8.079 1.00 1.00 H new ATOM 0 HA LYS A 41 89.153 -8.562 -5.321 1.00 1.00 H new ATOM 0 HB2 LYS A 41 86.948 -8.410 -7.378 1.00 1.00 H new ATOM 0 HB3 LYS A 41 86.841 -8.270 -5.635 1.00 1.00 H new ATOM 0 HG2 LYS A 41 88.236 -6.060 -5.928 1.00 1.00 H new ATOM 0 HG3 LYS A 41 87.814 -6.176 -7.624 1.00 1.00 H new ATOM 0 HD2 LYS A 41 85.979 -4.943 -6.875 1.00 1.00 H new ATOM 0 HD3 LYS A 41 85.338 -6.558 -6.642 1.00 1.00 H new ATOM 0 HE2 LYS A 41 86.390 -6.449 -4.252 1.00 1.00 H new ATOM 0 HE3 LYS A 41 86.588 -4.732 -4.540 1.00 1.00 H new ATOM 0 HZ1 LYS A 41 84.492 -5.068 -3.479 1.00 1.00 H new ATOM 0 HZ2 LYS A 41 84.165 -4.651 -5.092 1.00 1.00 H new ATOM 0 HZ3 LYS A 41 84.035 -6.268 -4.589 1.00 1.00 H new ATOM 645 N PRO A 42 89.546 -10.888 -6.252 1.00 1.00 N ATOM 646 CA PRO A 42 89.649 -12.301 -6.712 1.00 1.00 C ATOM 647 C PRO A 42 88.387 -13.109 -6.382 1.00 1.00 C ATOM 648 O PRO A 42 87.609 -12.733 -5.527 1.00 1.00 O ATOM 649 CB PRO A 42 90.853 -12.837 -5.937 1.00 1.00 C ATOM 650 CG PRO A 42 90.885 -12.042 -4.672 1.00 1.00 C ATOM 651 CD PRO A 42 90.247 -10.681 -4.975 1.00 1.00 C ATOM 0 HA PRO A 42 89.758 -12.376 -7.794 1.00 1.00 H new ATOM 0 HB2 PRO A 42 90.747 -13.902 -5.731 1.00 1.00 H new ATOM 0 HB3 PRO A 42 91.775 -12.712 -6.505 1.00 1.00 H new ATOM 0 HG2 PRO A 42 90.338 -12.556 -3.881 1.00 1.00 H new ATOM 0 HG3 PRO A 42 91.910 -11.917 -4.322 1.00 1.00 H new ATOM 0 HD2 PRO A 42 89.558 -10.380 -4.186 1.00 1.00 H new ATOM 0 HD3 PRO A 42 91.000 -9.897 -5.056 1.00 1.00 H new ATOM 659 N PRO A 43 88.187 -14.212 -7.056 1.00 1.00 N ATOM 660 CA PRO A 43 86.999 -15.087 -6.832 1.00 1.00 C ATOM 661 C PRO A 43 87.066 -15.818 -5.486 1.00 1.00 C ATOM 662 O PRO A 43 88.005 -16.535 -5.204 1.00 1.00 O ATOM 663 CB PRO A 43 87.058 -16.087 -7.993 1.00 1.00 C ATOM 664 CG PRO A 43 88.493 -16.131 -8.400 1.00 1.00 C ATOM 665 CD PRO A 43 89.073 -14.747 -8.102 1.00 1.00 C ATOM 0 HA PRO A 43 86.072 -14.514 -6.801 1.00 1.00 H new ATOM 0 HB2 PRO A 43 86.706 -17.071 -7.683 1.00 1.00 H new ATOM 0 HB3 PRO A 43 86.424 -15.768 -8.820 1.00 1.00 H new ATOM 0 HG2 PRO A 43 89.029 -16.903 -7.848 1.00 1.00 H new ATOM 0 HG3 PRO A 43 88.589 -16.372 -9.459 1.00 1.00 H new ATOM 0 HD2 PRO A 43 90.105 -14.812 -7.757 1.00 1.00 H new ATOM 0 HD3 PRO A 43 89.072 -14.114 -8.989 1.00 1.00 H new ATOM 673 N LYS A 44 86.073 -15.641 -4.657 1.00 1.00 N ATOM 674 CA LYS A 44 86.073 -16.322 -3.332 1.00 1.00 C ATOM 675 C LYS A 44 84.735 -16.062 -2.635 1.00 1.00 C ATOM 676 O LYS A 44 84.675 -15.446 -1.590 1.00 1.00 O ATOM 677 CB LYS A 44 87.212 -15.769 -2.470 1.00 1.00 C ATOM 678 CG LYS A 44 87.616 -16.808 -1.422 1.00 1.00 C ATOM 679 CD LYS A 44 88.669 -17.747 -2.013 1.00 1.00 C ATOM 680 CE LYS A 44 88.901 -18.920 -1.058 1.00 1.00 C ATOM 681 NZ LYS A 44 89.595 -18.433 0.167 1.00 1.00 N ATOM 0 H LYS A 44 85.260 -15.053 -4.841 1.00 1.00 H new ATOM 0 HA LYS A 44 86.214 -17.394 -3.472 1.00 1.00 H new ATOM 0 HB2 LYS A 44 88.068 -15.519 -3.097 1.00 1.00 H new ATOM 0 HB3 LYS A 44 86.896 -14.848 -1.980 1.00 1.00 H new ATOM 0 HG2 LYS A 44 88.012 -16.311 -0.536 1.00 1.00 H new ATOM 0 HG3 LYS A 44 86.743 -17.378 -1.104 1.00 1.00 H new ATOM 0 HD2 LYS A 44 88.339 -18.115 -2.984 1.00 1.00 H new ATOM 0 HD3 LYS A 44 89.602 -17.207 -2.177 1.00 1.00 H new ATOM 0 HE2 LYS A 44 87.949 -19.380 -0.791 1.00 1.00 H new ATOM 0 HE3 LYS A 44 89.500 -19.688 -1.547 1.00 1.00 H new ATOM 0 HZ1 LYS A 44 89.859 -19.244 0.762 1.00 1.00 H new ATOM 0 HZ2 LYS A 44 90.452 -17.909 -0.104 1.00 1.00 H new ATOM 0 HZ3 LYS A 44 88.960 -17.805 0.699 1.00 1.00 H new ATOM 695 N LYS A 45 83.665 -16.525 -3.214 1.00 1.00 N ATOM 696 CA LYS A 45 82.320 -16.309 -2.605 1.00 1.00 C ATOM 697 C LYS A 45 82.400 -16.508 -1.086 1.00 1.00 C ATOM 698 O LYS A 45 82.607 -17.603 -0.603 1.00 1.00 O ATOM 699 CB LYS A 45 81.324 -17.313 -3.210 1.00 1.00 C ATOM 700 CG LYS A 45 80.022 -16.594 -3.566 1.00 1.00 C ATOM 701 CD LYS A 45 80.180 -15.888 -4.914 1.00 1.00 C ATOM 702 CE LYS A 45 79.057 -14.863 -5.090 1.00 1.00 C ATOM 703 NZ LYS A 45 79.055 -14.364 -6.494 1.00 1.00 N ATOM 0 H LYS A 45 83.662 -17.048 -4.090 1.00 1.00 H new ATOM 0 HA LYS A 45 81.985 -15.293 -2.812 1.00 1.00 H new ATOM 0 HB2 LYS A 45 81.752 -17.773 -4.100 1.00 1.00 H new ATOM 0 HB3 LYS A 45 81.125 -18.116 -2.500 1.00 1.00 H new ATOM 0 HG2 LYS A 45 79.200 -17.309 -3.612 1.00 1.00 H new ATOM 0 HG3 LYS A 45 79.771 -15.869 -2.791 1.00 1.00 H new ATOM 0 HD2 LYS A 45 81.150 -15.393 -4.965 1.00 1.00 H new ATOM 0 HD3 LYS A 45 80.151 -16.617 -5.724 1.00 1.00 H new ATOM 0 HE2 LYS A 45 78.095 -15.317 -4.853 1.00 1.00 H new ATOM 0 HE3 LYS A 45 79.196 -14.033 -4.398 1.00 1.00 H new ATOM 0 HZ1 LYS A 45 78.292 -13.668 -6.614 1.00 1.00 H new ATOM 0 HZ2 LYS A 45 79.969 -13.915 -6.704 1.00 1.00 H new ATOM 0 HZ3 LYS A 45 78.902 -15.160 -7.145 1.00 1.00 H new ATOM 717 N GLY A 46 82.238 -15.454 -0.333 1.00 1.00 N ATOM 718 CA GLY A 46 82.304 -15.579 1.151 1.00 1.00 C ATOM 719 C GLY A 46 82.461 -14.191 1.774 1.00 1.00 C ATOM 720 O GLY A 46 82.777 -13.230 1.101 1.00 1.00 O ATOM 0 H GLY A 46 82.063 -14.512 -0.682 1.00 1.00 H new ATOM 0 HA2 GLY A 46 81.400 -16.058 1.527 1.00 1.00 H new ATOM 0 HA3 GLY A 46 83.143 -16.214 1.436 1.00 1.00 H new ATOM 724 N VAL A 47 82.243 -14.077 3.056 1.00 1.00 N ATOM 725 CA VAL A 47 82.379 -12.753 3.721 1.00 1.00 C ATOM 726 C VAL A 47 83.797 -12.219 3.509 1.00 1.00 C ATOM 727 O VAL A 47 84.091 -11.076 3.796 1.00 1.00 O ATOM 728 CB VAL A 47 82.108 -12.911 5.217 1.00 1.00 C ATOM 729 CG1 VAL A 47 83.199 -13.780 5.845 1.00 1.00 C ATOM 730 CG2 VAL A 47 82.109 -11.533 5.882 1.00 1.00 C ATOM 0 H VAL A 47 81.976 -14.846 3.671 1.00 1.00 H new ATOM 0 HA VAL A 47 81.663 -12.052 3.293 1.00 1.00 H new ATOM 0 HB VAL A 47 81.138 -13.386 5.362 1.00 1.00 H new ATOM 0 HG11 VAL A 47 83.005 -13.892 6.912 1.00 1.00 H new ATOM 0 HG12 VAL A 47 83.200 -14.762 5.371 1.00 1.00 H new ATOM 0 HG13 VAL A 47 84.170 -13.306 5.700 1.00 1.00 H new ATOM 0 HG21 VAL A 47 81.916 -11.644 6.949 1.00 1.00 H new ATOM 0 HG22 VAL A 47 83.080 -11.059 5.736 1.00 1.00 H new ATOM 0 HG23 VAL A 47 81.332 -10.913 5.435 1.00 1.00 H new ATOM 740 N GLN A 48 84.680 -13.039 3.006 1.00 1.00 N ATOM 741 CA GLN A 48 86.079 -12.579 2.774 1.00 1.00 C ATOM 742 C GLN A 48 86.160 -11.865 1.421 1.00 1.00 C ATOM 743 O GLN A 48 86.489 -10.698 1.343 1.00 1.00 O ATOM 744 CB GLN A 48 87.022 -13.792 2.777 1.00 1.00 C ATOM 745 CG GLN A 48 87.758 -13.865 4.117 1.00 1.00 C ATOM 746 CD GLN A 48 88.839 -12.783 4.165 1.00 1.00 C ATOM 747 OE1 GLN A 48 88.783 -11.818 3.429 1.00 1.00 O ATOM 748 NE2 GLN A 48 89.828 -12.905 5.008 1.00 1.00 N ATOM 0 H GLN A 48 84.493 -14.007 2.746 1.00 1.00 H new ATOM 0 HA GLN A 48 86.375 -11.890 3.565 1.00 1.00 H new ATOM 0 HB2 GLN A 48 86.454 -14.708 2.612 1.00 1.00 H new ATOM 0 HB3 GLN A 48 87.739 -13.710 1.960 1.00 1.00 H new ATOM 0 HG2 GLN A 48 87.055 -13.728 4.938 1.00 1.00 H new ATOM 0 HG3 GLN A 48 88.208 -14.850 4.244 1.00 1.00 H new ATOM 0 HE21 GLN A 48 89.875 -13.715 5.626 1.00 1.00 H new ATOM 0 HE22 GLN A 48 90.554 -12.190 5.049 1.00 1.00 H new ATOM 757 N GLY A 49 85.865 -12.558 0.354 1.00 1.00 N ATOM 758 CA GLY A 49 85.930 -11.922 -0.994 1.00 1.00 C ATOM 759 C GLY A 49 84.567 -11.325 -1.351 1.00 1.00 C ATOM 760 O GLY A 49 83.805 -10.929 -0.492 1.00 1.00 O ATOM 0 H GLY A 49 85.582 -13.538 0.357 1.00 1.00 H new ATOM 0 HA2 GLY A 49 86.692 -11.143 -1.002 1.00 1.00 H new ATOM 0 HA3 GLY A 49 86.221 -12.660 -1.741 1.00 1.00 H new ATOM 764 N CYS A 50 84.256 -11.257 -2.618 1.00 1.00 N ATOM 765 CA CYS A 50 82.946 -10.685 -3.038 1.00 1.00 C ATOM 766 C CYS A 50 81.852 -11.743 -2.873 1.00 1.00 C ATOM 767 O CYS A 50 81.528 -12.464 -3.795 1.00 1.00 O ATOM 768 CB CYS A 50 83.028 -10.253 -4.507 1.00 1.00 C ATOM 769 SG CYS A 50 83.258 -8.460 -4.596 1.00 1.00 S ATOM 0 H CYS A 50 84.855 -11.574 -3.381 1.00 1.00 H new ATOM 0 HA CYS A 50 82.708 -9.820 -2.419 1.00 1.00 H new ATOM 0 HB2 CYS A 50 83.856 -10.762 -5.001 1.00 1.00 H new ATOM 0 HB3 CYS A 50 82.118 -10.540 -5.033 1.00 1.00 H new ATOM 774 N GLY A 51 81.279 -11.839 -1.704 1.00 1.00 N ATOM 775 CA GLY A 51 80.205 -12.848 -1.482 1.00 1.00 C ATOM 776 C GLY A 51 78.881 -12.310 -2.026 1.00 1.00 C ATOM 777 O GLY A 51 78.852 -11.546 -2.970 1.00 1.00 O ATOM 0 H GLY A 51 81.508 -11.263 -0.894 1.00 1.00 H new ATOM 0 HA2 GLY A 51 80.462 -13.784 -1.979 1.00 1.00 H new ATOM 0 HA3 GLY A 51 80.111 -13.067 -0.418 1.00 1.00 H new ATOM 781 N ASP A 52 77.784 -12.700 -1.438 1.00 1.00 N ATOM 782 CA ASP A 52 76.464 -12.206 -1.922 1.00 1.00 C ATOM 783 C ASP A 52 76.219 -12.717 -3.345 1.00 1.00 C ATOM 784 O ASP A 52 76.763 -12.203 -4.301 1.00 1.00 O ATOM 785 CB ASP A 52 76.462 -10.673 -1.917 1.00 1.00 C ATOM 786 CG ASP A 52 77.380 -10.166 -0.803 1.00 1.00 C ATOM 787 OD1 ASP A 52 77.174 -10.560 0.333 1.00 1.00 O ATOM 788 OD2 ASP A 52 78.274 -9.393 -1.105 1.00 1.00 O ATOM 0 H ASP A 52 77.744 -13.339 -0.644 1.00 1.00 H new ATOM 0 HA ASP A 52 75.674 -12.571 -1.266 1.00 1.00 H new ATOM 0 HB2 ASP A 52 76.800 -10.295 -2.882 1.00 1.00 H new ATOM 0 HB3 ASP A 52 75.449 -10.300 -1.766 1.00 1.00 H new ATOM 793 N ASP A 53 75.404 -13.725 -3.492 1.00 1.00 N ATOM 794 CA ASP A 53 75.125 -14.266 -4.852 1.00 1.00 C ATOM 795 C ASP A 53 74.067 -13.399 -5.538 1.00 1.00 C ATOM 796 O ASP A 53 73.824 -13.522 -6.723 1.00 1.00 O ATOM 797 CB ASP A 53 74.609 -15.701 -4.733 1.00 1.00 C ATOM 798 CG ASP A 53 75.763 -16.628 -4.345 1.00 1.00 C ATOM 799 OD1 ASP A 53 76.496 -17.032 -5.233 1.00 1.00 O ATOM 800 OD2 ASP A 53 75.894 -16.917 -3.167 1.00 1.00 O ATOM 0 H ASP A 53 74.919 -14.197 -2.729 1.00 1.00 H new ATOM 0 HA ASP A 53 76.041 -14.257 -5.442 1.00 1.00 H new ATOM 0 HB2 ASP A 53 73.819 -15.754 -3.984 1.00 1.00 H new ATOM 0 HB3 ASP A 53 74.173 -16.022 -5.679 1.00 1.00 H new ATOM 805 N ILE A 54 73.436 -12.523 -4.800 1.00 1.00 N ATOM 806 CA ILE A 54 72.389 -11.640 -5.397 1.00 1.00 C ATOM 807 C ILE A 54 72.859 -10.180 -5.335 1.00 1.00 C ATOM 808 O ILE A 54 72.609 -9.487 -4.370 1.00 1.00 O ATOM 809 CB ILE A 54 71.087 -11.787 -4.600 1.00 1.00 C ATOM 810 CG1 ILE A 54 70.483 -13.168 -4.863 1.00 1.00 C ATOM 811 CG2 ILE A 54 70.095 -10.707 -5.037 1.00 1.00 C ATOM 812 CD1 ILE A 54 71.339 -14.238 -4.183 1.00 1.00 C ATOM 0 H ILE A 54 73.602 -12.380 -3.804 1.00 1.00 H new ATOM 0 HA ILE A 54 72.218 -11.926 -6.435 1.00 1.00 H new ATOM 0 HB ILE A 54 71.298 -11.677 -3.536 1.00 1.00 H new ATOM 0 HG12 ILE A 54 69.462 -13.208 -4.483 1.00 1.00 H new ATOM 0 HG13 ILE A 54 70.432 -13.356 -5.935 1.00 1.00 H new ATOM 0 HG21 ILE A 54 69.170 -10.812 -4.470 1.00 1.00 H new ATOM 0 HG22 ILE A 54 70.524 -9.722 -4.852 1.00 1.00 H new ATOM 0 HG23 ILE A 54 69.883 -10.816 -6.101 1.00 1.00 H new ATOM 0 HD11 ILE A 54 70.909 -15.222 -4.370 1.00 1.00 H new ATOM 0 HD12 ILE A 54 72.352 -14.203 -4.584 1.00 1.00 H new ATOM 0 HD13 ILE A 54 71.367 -14.053 -3.109 1.00 1.00 H new ATOM 824 N PRO A 55 73.537 -9.715 -6.355 1.00 1.00 N ATOM 825 CA PRO A 55 74.045 -8.317 -6.408 1.00 1.00 C ATOM 826 C PRO A 55 72.961 -7.326 -6.853 1.00 1.00 C ATOM 827 O PRO A 55 73.140 -6.571 -7.788 1.00 1.00 O ATOM 828 CB PRO A 55 75.172 -8.394 -7.439 1.00 1.00 C ATOM 829 CG PRO A 55 74.773 -9.495 -8.368 1.00 1.00 C ATOM 830 CD PRO A 55 73.898 -10.468 -7.567 1.00 1.00 C ATOM 0 HA PRO A 55 74.371 -7.956 -5.433 1.00 1.00 H new ATOM 0 HB2 PRO A 55 75.285 -7.450 -7.972 1.00 1.00 H new ATOM 0 HB3 PRO A 55 76.129 -8.607 -6.962 1.00 1.00 H new ATOM 0 HG2 PRO A 55 74.225 -9.098 -9.222 1.00 1.00 H new ATOM 0 HG3 PRO A 55 75.653 -10.004 -8.762 1.00 1.00 H new ATOM 0 HD2 PRO A 55 73.013 -10.764 -8.130 1.00 1.00 H new ATOM 0 HD3 PRO A 55 74.440 -11.381 -7.322 1.00 1.00 H new ATOM 838 N GLY A 56 71.839 -7.324 -6.187 1.00 1.00 N ATOM 839 CA GLY A 56 70.746 -6.384 -6.567 1.00 1.00 C ATOM 840 C GLY A 56 70.166 -6.790 -7.924 1.00 1.00 C ATOM 841 O GLY A 56 69.527 -6.004 -8.595 1.00 1.00 O ATOM 0 H GLY A 56 71.631 -7.933 -5.396 1.00 1.00 H new ATOM 0 HA2 GLY A 56 69.964 -6.395 -5.808 1.00 1.00 H new ATOM 0 HA3 GLY A 56 71.130 -5.365 -6.615 1.00 1.00 H new ATOM 845 N MET A 57 70.384 -8.011 -8.334 1.00 1.00 N ATOM 846 CA MET A 57 69.848 -8.474 -9.650 1.00 1.00 C ATOM 847 C MET A 57 70.422 -7.607 -10.778 1.00 1.00 C ATOM 848 O MET A 57 70.350 -7.960 -11.938 1.00 1.00 O ATOM 849 CB MET A 57 68.311 -8.373 -9.649 1.00 1.00 C ATOM 850 CG MET A 57 67.708 -9.766 -9.458 1.00 1.00 C ATOM 851 SD MET A 57 68.110 -10.375 -7.802 1.00 1.00 S ATOM 852 CE MET A 57 67.623 -12.098 -8.070 1.00 1.00 C ATOM 0 H MET A 57 70.912 -8.711 -7.813 1.00 1.00 H new ATOM 0 HA MET A 57 70.140 -9.512 -9.811 1.00 1.00 H new ATOM 0 HB2 MET A 57 67.980 -7.709 -8.850 1.00 1.00 H new ATOM 0 HB3 MET A 57 67.964 -7.940 -10.587 1.00 1.00 H new ATOM 0 HG2 MET A 57 66.627 -9.727 -9.590 1.00 1.00 H new ATOM 0 HG3 MET A 57 68.097 -10.449 -10.213 1.00 1.00 H new ATOM 0 HE1 MET A 57 67.790 -12.670 -7.157 1.00 1.00 H new ATOM 0 HE2 MET A 57 66.567 -12.140 -8.337 1.00 1.00 H new ATOM 0 HE3 MET A 57 68.218 -12.523 -8.878 1.00 1.00 H new ATOM 862 N GLU A 58 70.990 -6.479 -10.449 1.00 1.00 N ATOM 863 CA GLU A 58 71.566 -5.596 -11.503 1.00 1.00 C ATOM 864 C GLU A 58 72.270 -4.413 -10.836 1.00 1.00 C ATOM 865 O GLU A 58 73.100 -3.756 -11.431 1.00 1.00 O ATOM 866 CB GLU A 58 70.442 -5.081 -12.410 1.00 1.00 C ATOM 867 CG GLU A 58 70.995 -4.016 -13.359 1.00 1.00 C ATOM 868 CD GLU A 58 70.983 -2.654 -12.661 1.00 1.00 C ATOM 869 OE1 GLU A 58 69.961 -2.313 -12.088 1.00 1.00 O ATOM 870 OE2 GLU A 58 71.996 -1.976 -12.711 1.00 1.00 O ATOM 0 H GLU A 58 71.080 -6.130 -9.495 1.00 1.00 H new ATOM 0 HA GLU A 58 72.282 -6.158 -12.102 1.00 1.00 H new ATOM 0 HB2 GLU A 58 70.016 -5.905 -12.981 1.00 1.00 H new ATOM 0 HB3 GLU A 58 69.637 -4.662 -11.806 1.00 1.00 H new ATOM 0 HG2 GLU A 58 72.011 -4.274 -13.659 1.00 1.00 H new ATOM 0 HG3 GLU A 58 70.394 -3.976 -14.268 1.00 1.00 H new ATOM 877 N GLY A 59 71.943 -4.140 -9.601 1.00 1.00 N ATOM 878 CA GLY A 59 72.589 -3.001 -8.887 1.00 1.00 C ATOM 879 C GLY A 59 71.554 -2.295 -8.008 1.00 1.00 C ATOM 880 O GLY A 59 71.860 -1.824 -6.930 1.00 1.00 O ATOM 0 H GLY A 59 71.255 -4.658 -9.055 1.00 1.00 H new ATOM 0 HA2 GLY A 59 73.415 -3.363 -8.275 1.00 1.00 H new ATOM 0 HA3 GLY A 59 73.010 -2.299 -9.607 1.00 1.00 H new ATOM 884 N CYS A 60 70.330 -2.218 -8.463 1.00 1.00 N ATOM 885 CA CYS A 60 69.267 -1.542 -7.663 1.00 1.00 C ATOM 886 C CYS A 60 68.257 -2.583 -7.172 1.00 1.00 C ATOM 887 O CYS A 60 67.204 -2.760 -7.751 1.00 1.00 O ATOM 888 CB CYS A 60 68.552 -0.508 -8.541 1.00 1.00 C ATOM 889 SG CYS A 60 69.302 1.120 -8.289 1.00 1.00 S ATOM 0 H CYS A 60 70.020 -2.596 -9.358 1.00 1.00 H new ATOM 0 HA CYS A 60 69.717 -1.043 -6.805 1.00 1.00 H new ATOM 0 HB2 CYS A 60 68.623 -0.795 -9.590 1.00 1.00 H new ATOM 0 HB3 CYS A 60 67.492 -0.474 -8.291 1.00 1.00 H new ATOM 894 N GLY A 61 68.567 -3.269 -6.105 1.00 1.00 N ATOM 895 CA GLY A 61 67.622 -4.293 -5.573 1.00 1.00 C ATOM 896 C GLY A 61 66.701 -3.642 -4.540 1.00 1.00 C ATOM 897 O GLY A 61 66.810 -3.887 -3.355 1.00 1.00 O ATOM 0 H GLY A 61 69.434 -3.165 -5.578 1.00 1.00 H new ATOM 0 HA2 GLY A 61 67.033 -4.718 -6.386 1.00 1.00 H new ATOM 0 HA3 GLY A 61 68.176 -5.114 -5.117 1.00 1.00 H new ATOM 901 N THR A 62 65.796 -2.810 -4.979 1.00 1.00 N ATOM 902 CA THR A 62 64.873 -2.139 -4.021 1.00 1.00 C ATOM 903 C THR A 62 64.236 -3.182 -3.104 1.00 1.00 C ATOM 904 O THR A 62 63.594 -2.850 -2.127 1.00 1.00 O ATOM 905 CB THR A 62 63.777 -1.403 -4.794 1.00 1.00 C ATOM 906 OG1 THR A 62 62.853 -2.347 -5.316 1.00 1.00 O ATOM 907 CG2 THR A 62 64.404 -0.610 -5.942 1.00 1.00 C ATOM 0 H THR A 62 65.656 -2.566 -5.960 1.00 1.00 H new ATOM 0 HA THR A 62 65.436 -1.425 -3.420 1.00 1.00 H new ATOM 0 HB THR A 62 63.257 -0.718 -4.125 1.00 1.00 H new ATOM 0 HG1 THR A 62 62.149 -1.877 -5.810 1.00 1.00 H new ATOM 0 HG21 THR A 62 63.622 -0.086 -6.492 1.00 1.00 H new ATOM 0 HG22 THR A 62 65.112 0.114 -5.540 1.00 1.00 H new ATOM 0 HG23 THR A 62 64.925 -1.292 -6.614 1.00 1.00 H new ATOM 915 N ASP A 63 64.411 -4.441 -3.400 1.00 1.00 N ATOM 916 CA ASP A 63 63.816 -5.493 -2.529 1.00 1.00 C ATOM 917 C ASP A 63 64.190 -5.198 -1.077 1.00 1.00 C ATOM 918 O ASP A 63 63.636 -5.757 -0.151 1.00 1.00 O ATOM 919 CB ASP A 63 64.366 -6.863 -2.933 1.00 1.00 C ATOM 920 CG ASP A 63 63.769 -7.276 -4.280 1.00 1.00 C ATOM 921 OD1 ASP A 63 62.570 -7.498 -4.331 1.00 1.00 O ATOM 922 OD2 ASP A 63 64.520 -7.363 -5.237 1.00 1.00 O ATOM 0 H ASP A 63 64.937 -4.785 -4.203 1.00 1.00 H new ATOM 0 HA ASP A 63 62.732 -5.497 -2.639 1.00 1.00 H new ATOM 0 HB2 ASP A 63 65.453 -6.824 -3.002 1.00 1.00 H new ATOM 0 HB3 ASP A 63 64.121 -7.604 -2.172 1.00 1.00 H new ATOM 927 N ILE A 64 65.130 -4.312 -0.880 1.00 1.00 N ATOM 928 CA ILE A 64 65.563 -3.953 0.499 1.00 1.00 C ATOM 929 C ILE A 64 65.055 -2.545 0.835 1.00 1.00 C ATOM 930 O ILE A 64 63.922 -2.365 1.227 1.00 1.00 O ATOM 931 CB ILE A 64 67.092 -3.987 0.563 1.00 1.00 C ATOM 932 CG1 ILE A 64 67.560 -3.353 1.875 1.00 1.00 C ATOM 933 CG2 ILE A 64 67.671 -3.202 -0.616 1.00 1.00 C ATOM 934 CD1 ILE A 64 66.888 -4.062 3.053 1.00 1.00 C ATOM 0 H ILE A 64 65.621 -3.817 -1.625 1.00 1.00 H new ATOM 0 HA ILE A 64 65.155 -4.662 1.219 1.00 1.00 H new ATOM 0 HB ILE A 64 67.435 -5.021 0.514 1.00 1.00 H new ATOM 0 HG12 ILE A 64 68.644 -3.429 1.962 1.00 1.00 H new ATOM 0 HG13 ILE A 64 67.313 -2.291 1.887 1.00 1.00 H new ATOM 0 HG21 ILE A 64 68.760 -3.227 -0.570 1.00 1.00 H new ATOM 0 HG22 ILE A 64 67.337 -3.651 -1.551 1.00 1.00 H new ATOM 0 HG23 ILE A 64 67.329 -2.168 -0.568 1.00 1.00 H new ATOM 0 HD11 ILE A 64 67.221 -3.611 3.987 1.00 1.00 H new ATOM 0 HD12 ILE A 64 65.806 -3.963 2.968 1.00 1.00 H new ATOM 0 HD13 ILE A 64 67.158 -5.118 3.044 1.00 1.00 H new ATOM 946 N THR A 65 65.903 -1.559 0.680 1.00 1.00 N ATOM 947 CA THR A 65 65.536 -0.138 0.978 1.00 1.00 C ATOM 948 C THR A 65 66.790 0.571 1.504 1.00 1.00 C ATOM 949 O THR A 65 67.086 1.691 1.135 1.00 1.00 O ATOM 950 CB THR A 65 64.416 -0.066 2.031 1.00 1.00 C ATOM 951 OG1 THR A 65 63.168 -0.344 1.412 1.00 1.00 O ATOM 952 CG2 THR A 65 64.381 1.334 2.647 1.00 1.00 C ATOM 0 H THR A 65 66.860 -1.683 0.350 1.00 1.00 H new ATOM 0 HA THR A 65 65.169 0.343 0.071 1.00 1.00 H new ATOM 0 HB THR A 65 64.606 -0.800 2.814 1.00 1.00 H new ATOM 0 HG1 THR A 65 63.134 -1.289 1.154 1.00 1.00 H new ATOM 0 HG21 THR A 65 63.587 1.384 3.393 1.00 1.00 H new ATOM 0 HG22 THR A 65 65.339 1.547 3.122 1.00 1.00 H new ATOM 0 HG23 THR A 65 64.192 2.070 1.866 1.00 1.00 H new ATOM 960 N VAL A 66 67.535 -0.087 2.356 1.00 1.00 N ATOM 961 CA VAL A 66 68.783 0.520 2.905 1.00 1.00 C ATOM 962 C VAL A 66 69.893 -0.543 2.946 1.00 1.00 C ATOM 963 O VAL A 66 70.734 -0.606 2.071 1.00 1.00 O ATOM 964 CB VAL A 66 68.519 1.047 4.322 1.00 1.00 C ATOM 965 CG1 VAL A 66 67.911 2.448 4.241 1.00 1.00 C ATOM 966 CG2 VAL A 66 67.544 0.111 5.039 1.00 1.00 C ATOM 0 H VAL A 66 67.329 -1.026 2.697 1.00 1.00 H new ATOM 0 HA VAL A 66 69.097 1.347 2.267 1.00 1.00 H new ATOM 0 HB VAL A 66 69.458 1.090 4.874 1.00 1.00 H new ATOM 0 HG11 VAL A 66 67.724 2.822 5.248 1.00 1.00 H new ATOM 0 HG12 VAL A 66 68.603 3.116 3.729 1.00 1.00 H new ATOM 0 HG13 VAL A 66 66.972 2.406 3.689 1.00 1.00 H new ATOM 0 HG21 VAL A 66 67.355 0.484 6.046 1.00 1.00 H new ATOM 0 HG22 VAL A 66 66.606 0.070 4.486 1.00 1.00 H new ATOM 0 HG23 VAL A 66 67.975 -0.888 5.097 1.00 1.00 H new ATOM 976 N ILE A 67 69.902 -1.376 3.958 1.00 1.00 N ATOM 977 CA ILE A 67 70.957 -2.435 4.064 1.00 1.00 C ATOM 978 C ILE A 67 70.334 -3.814 3.805 1.00 1.00 C ATOM 979 O ILE A 67 69.699 -4.395 4.662 1.00 1.00 O ATOM 980 CB ILE A 67 71.580 -2.409 5.471 1.00 1.00 C ATOM 981 CG1 ILE A 67 72.615 -1.284 5.548 1.00 1.00 C ATOM 982 CG2 ILE A 67 72.263 -3.748 5.753 1.00 1.00 C ATOM 983 CD1 ILE A 67 71.899 0.067 5.579 1.00 1.00 C ATOM 0 H ILE A 67 69.222 -1.369 4.718 1.00 1.00 H new ATOM 0 HA ILE A 67 71.732 -2.243 3.322 1.00 1.00 H new ATOM 0 HB ILE A 67 70.798 -2.238 6.211 1.00 1.00 H new ATOM 0 HG12 ILE A 67 73.230 -1.402 6.440 1.00 1.00 H new ATOM 0 HG13 ILE A 67 73.285 -1.333 4.690 1.00 1.00 H new ATOM 0 HG21 ILE A 67 72.704 -3.729 6.750 1.00 1.00 H new ATOM 0 HG22 ILE A 67 71.528 -4.551 5.697 1.00 1.00 H new ATOM 0 HG23 ILE A 67 73.045 -3.920 5.014 1.00 1.00 H new ATOM 0 HD11 ILE A 67 72.636 0.868 5.634 1.00 1.00 H new ATOM 0 HD12 ILE A 67 71.303 0.184 4.674 1.00 1.00 H new ATOM 0 HD13 ILE A 67 71.247 0.113 6.451 1.00 1.00 H new ATOM 995 N CYS A 68 70.512 -4.332 2.621 1.00 1.00 N ATOM 996 CA CYS A 68 69.939 -5.662 2.274 1.00 1.00 C ATOM 997 C CYS A 68 70.590 -6.745 3.144 1.00 1.00 C ATOM 998 O CYS A 68 71.675 -6.565 3.661 1.00 1.00 O ATOM 999 CB CYS A 68 70.212 -5.951 0.795 1.00 1.00 C ATOM 1000 SG CYS A 68 70.392 -4.387 -0.099 1.00 1.00 S ATOM 0 H CYS A 68 71.037 -3.884 1.870 1.00 1.00 H new ATOM 0 HA CYS A 68 68.864 -5.660 2.454 1.00 1.00 H new ATOM 0 HB2 CYS A 68 71.118 -6.549 0.691 1.00 1.00 H new ATOM 0 HB3 CYS A 68 69.395 -6.534 0.370 1.00 1.00 H new ATOM 1005 N PRO A 69 69.918 -7.859 3.322 1.00 1.00 N ATOM 1006 CA PRO A 69 70.425 -8.984 4.163 1.00 1.00 C ATOM 1007 C PRO A 69 71.530 -9.807 3.486 1.00 1.00 C ATOM 1008 O PRO A 69 72.372 -10.377 4.150 1.00 1.00 O ATOM 1009 CB PRO A 69 69.181 -9.845 4.391 1.00 1.00 C ATOM 1010 CG PRO A 69 68.325 -9.605 3.192 1.00 1.00 C ATOM 1011 CD PRO A 69 68.602 -8.168 2.738 1.00 1.00 C ATOM 0 HA PRO A 69 70.888 -8.614 5.078 1.00 1.00 H new ATOM 0 HB2 PRO A 69 69.442 -10.899 4.486 1.00 1.00 H new ATOM 0 HB3 PRO A 69 68.666 -9.560 5.308 1.00 1.00 H new ATOM 0 HG2 PRO A 69 68.561 -10.314 2.399 1.00 1.00 H new ATOM 0 HG3 PRO A 69 67.271 -9.738 3.435 1.00 1.00 H new ATOM 0 HD2 PRO A 69 68.619 -8.089 1.651 1.00 1.00 H new ATOM 0 HD3 PRO A 69 67.835 -7.481 3.096 1.00 1.00 H new ATOM 1019 N TRP A 70 71.542 -9.890 2.181 1.00 1.00 N ATOM 1020 CA TRP A 70 72.610 -10.696 1.522 1.00 1.00 C ATOM 1021 C TRP A 70 73.955 -9.988 1.695 1.00 1.00 C ATOM 1022 O TRP A 70 74.946 -10.362 1.099 1.00 1.00 O ATOM 1023 CB TRP A 70 72.305 -10.891 0.028 1.00 1.00 C ATOM 1024 CG TRP A 70 71.528 -9.722 -0.485 1.00 1.00 C ATOM 1025 CD1 TRP A 70 72.040 -8.493 -0.724 1.00 1.00 C ATOM 1026 CD2 TRP A 70 70.112 -9.648 -0.827 1.00 1.00 C ATOM 1027 NE1 TRP A 70 71.032 -7.669 -1.189 1.00 1.00 N ATOM 1028 CE2 TRP A 70 69.825 -8.334 -1.270 1.00 1.00 C ATOM 1029 CE3 TRP A 70 69.062 -10.582 -0.795 1.00 1.00 C ATOM 1030 CZ2 TRP A 70 68.538 -7.963 -1.669 1.00 1.00 C ATOM 1031 CZ3 TRP A 70 67.769 -10.212 -1.194 1.00 1.00 C ATOM 1032 CH2 TRP A 70 67.507 -8.907 -1.630 1.00 1.00 C ATOM 0 H TRP A 70 70.872 -9.444 1.554 1.00 1.00 H new ATOM 0 HA TRP A 70 72.650 -11.680 1.990 1.00 1.00 H new ATOM 0 HB2 TRP A 70 73.234 -10.996 -0.532 1.00 1.00 H new ATOM 0 HB3 TRP A 70 71.738 -11.810 -0.120 1.00 1.00 H new ATOM 0 HD1 TRP A 70 73.070 -8.202 -0.576 1.00 1.00 H new ATOM 0 HE1 TRP A 70 71.164 -6.690 -1.441 1.00 1.00 H new ATOM 0 HE3 TRP A 70 69.252 -11.591 -0.461 1.00 1.00 H new ATOM 0 HZ2 TRP A 70 68.341 -6.956 -2.005 1.00 1.00 H new ATOM 0 HZ3 TRP A 70 66.970 -10.938 -1.165 1.00 1.00 H new ATOM 0 HH2 TRP A 70 66.509 -8.630 -1.936 1.00 1.00 H new ATOM 1043 N GLU A 71 73.997 -8.975 2.519 1.00 1.00 N ATOM 1044 CA GLU A 71 75.274 -8.242 2.750 1.00 1.00 C ATOM 1045 C GLU A 71 75.361 -7.837 4.224 1.00 1.00 C ATOM 1046 O GLU A 71 76.045 -6.899 4.581 1.00 1.00 O ATOM 1047 CB GLU A 71 75.311 -6.985 1.875 1.00 1.00 C ATOM 1048 CG GLU A 71 75.712 -7.365 0.448 1.00 1.00 C ATOM 1049 CD GLU A 71 77.235 -7.475 0.357 1.00 1.00 C ATOM 1050 OE1 GLU A 71 77.837 -7.900 1.329 1.00 1.00 O ATOM 1051 OE2 GLU A 71 77.773 -7.133 -0.683 1.00 1.00 O ATOM 0 H GLU A 71 73.197 -8.623 3.044 1.00 1.00 H new ATOM 0 HA GLU A 71 76.116 -8.885 2.493 1.00 1.00 H new ATOM 0 HB2 GLU A 71 74.334 -6.502 1.873 1.00 1.00 H new ATOM 0 HB3 GLU A 71 76.021 -6.266 2.284 1.00 1.00 H new ATOM 0 HG2 GLU A 71 75.251 -8.313 0.170 1.00 1.00 H new ATOM 0 HG3 GLU A 71 75.348 -6.615 -0.255 1.00 1.00 H new ATOM 1058 N ALA A 72 74.672 -8.539 5.082 1.00 1.00 N ATOM 1059 CA ALA A 72 74.714 -8.196 6.532 1.00 1.00 C ATOM 1060 C ALA A 72 76.091 -8.547 7.098 1.00 1.00 C ATOM 1061 O ALA A 72 76.219 -9.370 7.982 1.00 1.00 O ATOM 1062 CB ALA A 72 73.640 -8.993 7.275 1.00 1.00 C ATOM 0 H ALA A 72 74.082 -9.335 4.841 1.00 1.00 H new ATOM 0 HA ALA A 72 74.529 -7.129 6.659 1.00 1.00 H new ATOM 0 HB1 ALA A 72 73.670 -8.743 8.336 1.00 1.00 H new ATOM 0 HB2 ALA A 72 72.658 -8.745 6.871 1.00 1.00 H new ATOM 0 HB3 ALA A 72 73.826 -10.060 7.148 1.00 1.00 H new ATOM 1068 N CYS A 73 77.124 -7.931 6.592 1.00 1.00 N ATOM 1069 CA CYS A 73 78.493 -8.231 7.097 1.00 1.00 C ATOM 1070 C CYS A 73 78.737 -7.469 8.401 1.00 1.00 C ATOM 1071 O CYS A 73 79.588 -7.829 9.190 1.00 1.00 O ATOM 1072 CB CYS A 73 79.526 -7.807 6.048 1.00 1.00 C ATOM 1073 SG CYS A 73 78.795 -7.935 4.397 1.00 1.00 S ATOM 0 H CYS A 73 77.079 -7.232 5.850 1.00 1.00 H new ATOM 0 HA CYS A 73 78.586 -9.301 7.285 1.00 1.00 H new ATOM 0 HB2 CYS A 73 79.851 -6.784 6.235 1.00 1.00 H new ATOM 0 HB3 CYS A 73 80.411 -8.440 6.116 1.00 1.00 H new ATOM 1078 N ASN A 74 77.997 -6.419 8.639 1.00 1.00 N ATOM 1079 CA ASN A 74 78.194 -5.644 9.897 1.00 1.00 C ATOM 1080 C ASN A 74 77.074 -4.611 10.051 1.00 1.00 C ATOM 1081 O ASN A 74 76.134 -4.579 9.283 1.00 1.00 O ATOM 1082 CB ASN A 74 79.547 -4.929 9.849 1.00 1.00 C ATOM 1083 CG ASN A 74 79.502 -3.822 8.794 1.00 1.00 C ATOM 1084 OD1 ASN A 74 79.015 -4.028 7.701 1.00 1.00 O ATOM 1085 ND2 ASN A 74 79.994 -2.647 9.078 1.00 1.00 N ATOM 0 H ASN A 74 77.268 -6.066 8.019 1.00 1.00 H new ATOM 0 HA ASN A 74 78.172 -6.326 10.747 1.00 1.00 H new ATOM 0 HB2 ASN A 74 79.782 -4.506 10.826 1.00 1.00 H new ATOM 0 HB3 ASN A 74 80.338 -5.640 9.612 1.00 1.00 H new ATOM 0 HD21 ASN A 74 79.969 -1.902 8.382 1.00 1.00 H new ATOM 0 HD22 ASN A 74 80.403 -2.474 9.996 1.00 1.00 H new ATOM 1092 N HIS A 75 77.171 -3.767 11.044 1.00 1.00 N ATOM 1093 CA HIS A 75 76.118 -2.731 11.260 1.00 1.00 C ATOM 1094 C HIS A 75 76.575 -1.407 10.639 1.00 1.00 C ATOM 1095 O HIS A 75 75.773 -0.581 10.252 1.00 1.00 O ATOM 1096 CB HIS A 75 75.899 -2.547 12.769 1.00 1.00 C ATOM 1097 CG HIS A 75 74.464 -2.178 13.028 1.00 1.00 C ATOM 1098 ND1 HIS A 75 74.109 -1.136 13.872 1.00 1.00 N ATOM 1099 CD2 HIS A 75 73.283 -2.702 12.561 1.00 1.00 C ATOM 1100 CE1 HIS A 75 72.766 -1.065 13.889 1.00 1.00 C ATOM 1101 NE2 HIS A 75 72.216 -1.996 13.108 1.00 1.00 N ATOM 0 H HIS A 75 77.937 -3.750 11.717 1.00 1.00 H new ATOM 0 HA HIS A 75 75.185 -3.045 10.791 1.00 1.00 H new ATOM 0 HB2 HIS A 75 76.150 -3.466 13.298 1.00 1.00 H new ATOM 0 HB3 HIS A 75 76.560 -1.769 13.151 1.00 1.00 H new ATOM 0 HD2 HIS A 75 73.196 -3.532 11.876 1.00 1.00 H new ATOM 0 HE1 HIS A 75 72.203 -0.344 14.463 1.00 1.00 H new ATOM 0 HE2 HIS A 75 71.222 -2.157 12.946 1.00 1.00 H new ATOM 1110 N CYS A 76 77.861 -1.206 10.546 1.00 1.00 N ATOM 1111 CA CYS A 76 78.396 0.054 9.955 1.00 1.00 C ATOM 1112 C CYS A 76 77.801 1.264 10.681 1.00 1.00 C ATOM 1113 O CYS A 76 78.099 2.398 10.360 1.00 1.00 O ATOM 1114 CB CYS A 76 78.046 0.113 8.463 1.00 1.00 C ATOM 1115 SG CYS A 76 76.469 0.974 8.240 1.00 1.00 S ATOM 0 H CYS A 76 78.572 -1.868 10.858 1.00 1.00 H new ATOM 0 HA CYS A 76 79.480 0.072 10.069 1.00 1.00 H new ATOM 0 HB2 CYS A 76 78.834 0.629 7.915 1.00 1.00 H new ATOM 0 HB3 CYS A 76 77.982 -0.895 8.054 1.00 1.00 H new ATOM 1120 N GLU A 77 76.977 1.040 11.668 1.00 1.00 N ATOM 1121 CA GLU A 77 76.391 2.190 12.416 1.00 1.00 C ATOM 1122 C GLU A 77 77.487 2.822 13.276 1.00 1.00 C ATOM 1123 O GLU A 77 77.752 4.006 13.196 1.00 1.00 O ATOM 1124 CB GLU A 77 75.255 1.699 13.317 1.00 1.00 C ATOM 1125 CG GLU A 77 74.693 2.876 14.117 1.00 1.00 C ATOM 1126 CD GLU A 77 73.421 2.438 14.845 1.00 1.00 C ATOM 1127 OE1 GLU A 77 72.377 2.419 14.213 1.00 1.00 O ATOM 1128 OE2 GLU A 77 73.512 2.130 16.022 1.00 1.00 O ATOM 0 H GLU A 77 76.685 0.116 11.988 1.00 1.00 H new ATOM 0 HA GLU A 77 75.994 2.923 11.714 1.00 1.00 H new ATOM 0 HB2 GLU A 77 74.468 1.247 12.714 1.00 1.00 H new ATOM 0 HB3 GLU A 77 75.621 0.927 13.994 1.00 1.00 H new ATOM 0 HG2 GLU A 77 75.433 3.227 14.836 1.00 1.00 H new ATOM 0 HG3 GLU A 77 74.474 3.711 13.451 1.00 1.00 H new ATOM 1135 N LEU A 78 78.138 2.030 14.087 1.00 1.00 N ATOM 1136 CA LEU A 78 79.233 2.560 14.947 1.00 1.00 C ATOM 1137 C LEU A 78 80.569 2.243 14.273 1.00 1.00 C ATOM 1138 O LEU A 78 81.537 1.884 14.914 1.00 1.00 O ATOM 1139 CB LEU A 78 79.173 1.883 16.320 1.00 1.00 C ATOM 1140 CG LEU A 78 80.057 2.644 17.310 1.00 1.00 C ATOM 1141 CD1 LEU A 78 79.287 3.844 17.864 1.00 1.00 C ATOM 1142 CD2 LEU A 78 80.448 1.715 18.461 1.00 1.00 C ATOM 0 H LEU A 78 77.955 1.032 14.190 1.00 1.00 H new ATOM 0 HA LEU A 78 79.127 3.637 15.077 1.00 1.00 H new ATOM 0 HB2 LEU A 78 78.144 1.860 16.680 1.00 1.00 H new ATOM 0 HB3 LEU A 78 79.507 0.848 16.241 1.00 1.00 H new ATOM 0 HG LEU A 78 80.956 2.992 16.801 1.00 1.00 H new ATOM 0 HD11 LEU A 78 79.917 4.386 18.569 1.00 1.00 H new ATOM 0 HD12 LEU A 78 79.006 4.506 17.045 1.00 1.00 H new ATOM 0 HD13 LEU A 78 78.388 3.496 18.373 1.00 1.00 H new ATOM 0 HD21 LEU A 78 81.078 2.256 19.167 1.00 1.00 H new ATOM 0 HD22 LEU A 78 79.549 1.367 18.969 1.00 1.00 H new ATOM 0 HD23 LEU A 78 80.996 0.859 18.068 1.00 1.00 H new ATOM 1154 N HIS A 79 80.621 2.365 12.976 1.00 1.00 N ATOM 1155 CA HIS A 79 81.881 2.064 12.243 1.00 1.00 C ATOM 1156 C HIS A 79 81.841 2.750 10.874 1.00 1.00 C ATOM 1157 O HIS A 79 81.855 2.105 9.844 1.00 1.00 O ATOM 1158 CB HIS A 79 82.005 0.545 12.059 1.00 1.00 C ATOM 1159 CG HIS A 79 82.785 -0.040 13.204 1.00 1.00 C ATOM 1160 ND1 HIS A 79 83.890 0.598 13.748 1.00 1.00 N ATOM 1161 CD2 HIS A 79 82.633 -1.203 13.920 1.00 1.00 C ATOM 1162 CE1 HIS A 79 84.357 -0.175 14.744 1.00 1.00 C ATOM 1163 NE2 HIS A 79 83.628 -1.282 14.890 1.00 1.00 N ATOM 0 H HIS A 79 79.841 2.662 12.390 1.00 1.00 H new ATOM 0 HA HIS A 79 82.738 2.431 12.807 1.00 1.00 H new ATOM 0 HB2 HIS A 79 81.015 0.092 12.012 1.00 1.00 H new ATOM 0 HB3 HIS A 79 82.503 0.322 11.115 1.00 1.00 H new ATOM 0 HD2 HIS A 79 81.862 -1.941 13.756 1.00 1.00 H new ATOM 0 HE1 HIS A 79 85.216 0.070 15.351 1.00 1.00 H new ATOM 0 HE2 HIS A 79 83.770 -2.029 15.570 1.00 1.00 H new ATOM 1172 N GLU A 80 81.789 4.053 10.852 1.00 1.00 N ATOM 1173 CA GLU A 80 81.747 4.773 9.548 1.00 1.00 C ATOM 1174 C GLU A 80 82.832 4.211 8.627 1.00 1.00 C ATOM 1175 O GLU A 80 82.546 3.550 7.648 1.00 1.00 O ATOM 1176 CB GLU A 80 81.987 6.266 9.781 1.00 1.00 C ATOM 1177 CG GLU A 80 81.771 7.029 8.472 1.00 1.00 C ATOM 1178 CD GLU A 80 80.287 7.002 8.104 1.00 1.00 C ATOM 1179 OE1 GLU A 80 79.472 6.964 9.011 1.00 1.00 O ATOM 1180 OE2 GLU A 80 79.990 7.021 6.921 1.00 1.00 O ATOM 0 H GLU A 80 81.774 4.650 11.679 1.00 1.00 H new ATOM 0 HA GLU A 80 80.771 4.636 9.083 1.00 1.00 H new ATOM 0 HB2 GLU A 80 81.308 6.639 10.548 1.00 1.00 H new ATOM 0 HB3 GLU A 80 83.001 6.429 10.146 1.00 1.00 H new ATOM 0 HG2 GLU A 80 82.111 8.059 8.579 1.00 1.00 H new ATOM 0 HG3 GLU A 80 82.362 6.579 7.675 1.00 1.00 H new ATOM 1187 N LEU A 81 84.077 4.464 8.934 1.00 1.00 N ATOM 1188 CA LEU A 81 85.181 3.939 8.077 1.00 1.00 C ATOM 1189 C LEU A 81 85.769 2.676 8.714 1.00 1.00 C ATOM 1190 O LEU A 81 85.827 1.629 8.100 1.00 1.00 O ATOM 1191 CB LEU A 81 86.284 5.001 7.939 1.00 1.00 C ATOM 1192 CG LEU A 81 86.324 5.869 9.198 1.00 1.00 C ATOM 1193 CD1 LEU A 81 87.755 6.354 9.439 1.00 1.00 C ATOM 1194 CD2 LEU A 81 85.403 7.076 9.013 1.00 1.00 C ATOM 0 H LEU A 81 84.377 5.011 9.741 1.00 1.00 H new ATOM 0 HA LEU A 81 84.784 3.700 7.090 1.00 1.00 H new ATOM 0 HB2 LEU A 81 87.250 4.519 7.787 1.00 1.00 H new ATOM 0 HB3 LEU A 81 86.097 5.622 7.063 1.00 1.00 H new ATOM 0 HG LEU A 81 85.990 5.283 10.054 1.00 1.00 H new ATOM 0 HD11 LEU A 81 87.783 6.972 10.336 1.00 1.00 H new ATOM 0 HD12 LEU A 81 88.413 5.495 9.570 1.00 1.00 H new ATOM 0 HD13 LEU A 81 88.089 6.941 8.583 1.00 1.00 H new ATOM 0 HD21 LEU A 81 85.430 7.695 9.909 1.00 1.00 H new ATOM 0 HD22 LEU A 81 85.738 7.662 8.157 1.00 1.00 H new ATOM 0 HD23 LEU A 81 84.383 6.732 8.841 1.00 1.00 H new ATOM 1206 N ALA A 82 86.212 2.769 9.937 1.00 1.00 N ATOM 1207 CA ALA A 82 86.806 1.579 10.612 1.00 1.00 C ATOM 1208 C ALA A 82 85.722 0.532 10.877 1.00 1.00 C ATOM 1209 O ALA A 82 84.711 0.813 11.486 1.00 1.00 O ATOM 1210 CB ALA A 82 87.427 2.007 11.942 1.00 1.00 C ATOM 0 H ALA A 82 86.189 3.619 10.500 1.00 1.00 H new ATOM 0 HA ALA A 82 87.572 1.149 9.967 1.00 1.00 H new ATOM 0 HB1 ALA A 82 87.862 1.138 12.437 1.00 1.00 H new ATOM 0 HB2 ALA A 82 88.206 2.747 11.758 1.00 1.00 H new ATOM 0 HB3 ALA A 82 86.657 2.441 12.580 1.00 1.00 H new ATOM 1216 N GLN A 83 85.934 -0.678 10.433 1.00 1.00 N ATOM 1217 CA GLN A 83 84.925 -1.751 10.668 1.00 1.00 C ATOM 1218 C GLN A 83 85.584 -3.114 10.428 1.00 1.00 C ATOM 1219 O GLN A 83 85.246 -4.099 11.054 1.00 1.00 O ATOM 1220 CB GLN A 83 83.729 -1.553 9.715 1.00 1.00 C ATOM 1221 CG GLN A 83 83.874 -2.478 8.505 1.00 1.00 C ATOM 1222 CD GLN A 83 82.838 -2.099 7.445 1.00 1.00 C ATOM 1223 OE1 GLN A 83 82.017 -3.009 6.998 1.00 1.00 O flip ATOM 1224 NE2 GLN A 83 82.776 -0.963 7.019 1.00 1.00 N flip ATOM 0 H GLN A 83 86.764 -0.970 9.917 1.00 1.00 H new ATOM 0 HA GLN A 83 84.561 -1.705 11.694 1.00 1.00 H new ATOM 0 HB2 GLN A 83 82.796 -1.766 10.238 1.00 1.00 H new ATOM 0 HB3 GLN A 83 83.681 -0.515 9.387 1.00 1.00 H new ATOM 0 HG2 GLN A 83 84.879 -2.398 8.091 1.00 1.00 H new ATOM 0 HG3 GLN A 83 83.736 -3.516 8.809 1.00 1.00 H new ATOM 0 HE21 GLN A 83 83.418 -0.252 7.369 1.00 1.00 H new ATOM 0 HE22 GLN A 83 82.082 -0.721 6.312 1.00 1.00 H new ATOM 1233 N TYR A 84 86.523 -3.170 9.525 1.00 1.00 N ATOM 1234 CA TYR A 84 87.213 -4.458 9.234 1.00 1.00 C ATOM 1235 C TYR A 84 88.552 -4.158 8.561 1.00 1.00 C ATOM 1236 O TYR A 84 89.565 -4.754 8.870 1.00 1.00 O ATOM 1237 CB TYR A 84 86.341 -5.305 8.295 1.00 1.00 C ATOM 1238 CG TYR A 84 86.226 -6.708 8.840 1.00 1.00 C ATOM 1239 CD1 TYR A 84 87.357 -7.532 8.896 1.00 1.00 C ATOM 1240 CD2 TYR A 84 84.990 -7.186 9.290 1.00 1.00 C ATOM 1241 CE1 TYR A 84 87.251 -8.833 9.401 1.00 1.00 C ATOM 1242 CE2 TYR A 84 84.883 -8.487 9.796 1.00 1.00 C ATOM 1243 CZ TYR A 84 86.014 -9.311 9.851 1.00 1.00 C ATOM 1244 OH TYR A 84 85.909 -10.593 10.350 1.00 1.00 O ATOM 0 H TYR A 84 86.844 -2.375 8.973 1.00 1.00 H new ATOM 0 HA TYR A 84 87.380 -5.009 10.160 1.00 1.00 H new ATOM 0 HB2 TYR A 84 85.351 -4.859 8.200 1.00 1.00 H new ATOM 0 HB3 TYR A 84 86.778 -5.326 7.297 1.00 1.00 H new ATOM 0 HD1 TYR A 84 88.311 -7.163 8.549 1.00 1.00 H new ATOM 0 HD2 TYR A 84 84.118 -6.551 9.247 1.00 1.00 H new ATOM 0 HE1 TYR A 84 88.123 -9.468 9.444 1.00 1.00 H new ATOM 0 HE2 TYR A 84 83.929 -8.855 10.144 1.00 1.00 H new ATOM 0 HH TYR A 84 84.982 -10.764 10.619 1.00 1.00 H new ATOM 1254 N GLY A 85 88.561 -3.232 7.640 1.00 1.00 N ATOM 1255 CA GLY A 85 89.832 -2.884 6.939 1.00 1.00 C ATOM 1256 C GLY A 85 89.534 -2.460 5.500 1.00 1.00 C ATOM 1257 O GLY A 85 90.053 -3.024 4.557 1.00 1.00 O ATOM 0 H GLY A 85 87.743 -2.701 7.342 1.00 1.00 H new ATOM 0 HA2 GLY A 85 90.340 -2.077 7.467 1.00 1.00 H new ATOM 0 HA3 GLY A 85 90.506 -3.741 6.943 1.00 1.00 H new ATOM 1261 N ILE A 86 88.705 -1.468 5.321 1.00 1.00 N ATOM 1262 CA ILE A 86 88.378 -1.006 3.942 1.00 1.00 C ATOM 1263 C ILE A 86 88.037 0.488 3.983 1.00 1.00 C ATOM 1264 O ILE A 86 88.899 1.334 3.842 1.00 1.00 O ATOM 1265 CB ILE A 86 87.182 -1.812 3.393 1.00 1.00 C ATOM 1266 CG1 ILE A 86 86.552 -2.623 4.528 1.00 1.00 C ATOM 1267 CG2 ILE A 86 87.666 -2.763 2.297 1.00 1.00 C ATOM 1268 CD1 ILE A 86 85.245 -3.253 4.041 1.00 1.00 C ATOM 0 H ILE A 86 88.240 -0.957 6.071 1.00 1.00 H new ATOM 0 HA ILE A 86 89.234 -1.163 3.286 1.00 1.00 H new ATOM 0 HB ILE A 86 86.442 -1.127 2.979 1.00 1.00 H new ATOM 0 HG12 ILE A 86 87.241 -3.400 4.860 1.00 1.00 H new ATOM 0 HG13 ILE A 86 86.360 -1.979 5.386 1.00 1.00 H new ATOM 0 HG21 ILE A 86 86.821 -3.332 1.910 1.00 1.00 H new ATOM 0 HG22 ILE A 86 88.117 -2.187 1.489 1.00 1.00 H new ATOM 0 HG23 ILE A 86 88.406 -3.448 2.711 1.00 1.00 H new ATOM 0 HD11 ILE A 86 84.796 -3.831 4.849 1.00 1.00 H new ATOM 0 HD12 ILE A 86 84.556 -2.468 3.730 1.00 1.00 H new ATOM 0 HD13 ILE A 86 85.451 -3.910 3.196 1.00 1.00 H new ATOM 1280 N CYS A 87 86.791 0.822 4.177 1.00 1.00 N ATOM 1281 CA CYS A 87 86.410 2.262 4.228 1.00 1.00 C ATOM 1282 C CYS A 87 86.717 2.820 5.621 1.00 1.00 C ATOM 1283 CB CYS A 87 84.915 2.405 3.929 1.00 1.00 C ATOM 1284 SG CYS A 87 84.696 3.030 2.244 1.00 1.00 S ATOM 0 H CYS A 87 86.023 0.163 4.302 1.00 1.00 H new ATOM 0 HA CYS A 87 86.979 2.819 3.484 1.00 1.00 H new ATOM 0 HB2 CYS A 87 84.417 1.442 4.039 1.00 1.00 H new ATOM 0 HB3 CYS A 87 84.453 3.086 4.644 1.00 1.00 H new TER 1289 CYS A 87 HETATM 1290 C1C RCY A 110 64.105 -7.735 9.080 1.00 1.00 C HETATM 1291 O1G RCY A 110 63.866 -7.199 10.987 1.00 1.00 O HETATM 1292 O1H RCY A 110 59.875 -4.774 10.285 1.00 1.00 O HETATM 1293 O1J RCY A 110 62.159 -9.998 9.483 1.00 1.00 O HETATM 1294 C1L RCY A 110 62.394 -5.930 12.474 1.00 1.00 C HETATM 1295 C1M RCY A 110 60.695 -6.773 8.012 1.00 1.00 C HETATM 1296 C1P RCY A 110 62.872 -6.488 11.127 1.00 1.00 C HETATM 1297 C1Q RCY A 110 60.985 -5.118 10.688 1.00 1.00 C HETATM 1298 N1R RCY A 110 61.959 -6.053 9.982 1.00 1.00 N HETATM 1299 C1S RCY A 110 61.638 -4.687 11.989 1.00 1.00 C HETATM 1300 C1U RCY A 110 62.003 -6.447 8.504 1.00 1.00 C HETATM 1301 C1V RCY A 110 63.095 -7.925 6.762 1.00 1.00 C HETATM 1302 N1V RCY A 110 61.845 -8.767 8.762 1.00 1.00 N HETATM 1303 C1W RCY A 110 60.467 -8.251 8.352 1.00 1.00 C HETATM 1304 C1X RCY A 110 62.818 -7.714 8.252 1.00 1.00 C HETATM 1305 C1Y RCY A 110 59.954 -9.012 7.126 1.00 1.00 C HETATM 1306 C1Z RCY A 110 59.503 -8.409 9.527 1.00 1.00 C HETATM 0 H1ZB RCY A 110 59.915 -7.911 10.405 1.00 1.00 H new HETATM 0 H1ZA RCY A 110 58.543 -7.960 9.273 1.00 1.00 H new HETATM 0 H1YB RCY A 110 59.011 -8.576 6.795 1.00 1.00 H new HETATM 0 H1YA RCY A 110 60.687 -8.943 6.322 1.00 1.00 H new HETATM 0 H1VB RCY A 110 63.748 -7.132 6.397 1.00 1.00 H new HETATM 0 H1VA RCY A 110 63.579 -8.890 6.615 1.00 1.00 H new HETATM 0 H1MA RCY A 110 59.936 -6.145 8.478 1.00 1.00 H new HETATM 0 H1LA RCY A 110 61.750 -6.627 13.010 1.00 1.00 H new HETATM 0 H1CB RCY A 110 64.720 -6.874 8.818 1.00 1.00 H new HETATM 0 H1CA RCY A 110 63.856 -7.693 10.140 1.00 1.00 H new HETATM 0 H1Z RCY A 110 59.363 -9.468 9.743 1.00 1.00 H new HETATM 0 H1Y RCY A 110 59.798 -10.059 7.387 1.00 1.00 H new HETATM 0 H1V RCY A 110 62.155 -7.903 6.211 1.00 1.00 H new HETATM 0 H1U RCY A 110 62.443 -5.582 8.008 1.00 1.00 H new HETATM 0 H1S RCY A 110 62.315 -3.847 11.833 1.00 1.00 H new HETATM 0 H1M RCY A 110 60.631 -6.606 6.937 1.00 1.00 H new HETATM 0 H1L RCY A 110 63.220 -5.682 13.140 1.00 1.00 H new HETATM 0 H1C RCY A 110 64.656 -8.652 8.872 1.00 1.00 H new HETATM 1309 C1C RCY A 121 68.305 7.943 0.817 1.00 1.00 C HETATM 1310 O1G RCY A 121 69.556 10.382 1.595 1.00 1.00 O HETATM 1311 O1H RCY A 121 68.558 9.442 6.114 1.00 1.00 O HETATM 1312 O1J RCY A 121 67.338 5.120 1.219 1.00 1.00 O HETATM 1313 C1L RCY A 121 69.429 11.770 3.606 1.00 1.00 C HETATM 1314 C1M RCY A 121 68.187 7.068 4.411 1.00 1.00 C HETATM 1315 C1P RCY A 121 69.317 10.471 2.798 1.00 1.00 C HETATM 1316 C1Q RCY A 121 68.613 9.984 5.011 1.00 1.00 C HETATM 1317 N1R RCY A 121 68.871 9.301 3.674 1.00 1.00 N HETATM 1318 C1S RCY A 121 68.435 11.465 4.732 1.00 1.00 C HETATM 1319 C1U RCY A 121 68.719 7.822 3.312 1.00 1.00 C HETATM 1320 C1V RCY A 121 66.393 8.312 2.441 1.00 1.00 C HETATM 1321 N1V RCY A 121 67.524 6.082 2.301 1.00 1.00 N HETATM 1322 C1W RCY A 121 67.570 5.803 3.802 1.00 1.00 C HETATM 1323 C1X RCY A 121 67.716 7.588 2.184 1.00 1.00 C HETATM 1324 C1Y RCY A 121 66.158 5.575 4.348 1.00 1.00 C HETATM 1325 C1Z RCY A 121 68.450 4.578 4.056 1.00 1.00 C HETATM 0 H1ZB RCY A 121 69.431 4.735 3.608 1.00 1.00 H new HETATM 0 H1ZA RCY A 121 68.562 4.427 5.130 1.00 1.00 H new HETATM 0 H1YB RCY A 121 66.201 5.460 5.431 1.00 1.00 H new HETATM 0 H1YA RCY A 121 65.529 6.429 4.098 1.00 1.00 H new HETATM 0 H1VB RCY A 121 66.556 9.389 2.409 1.00 1.00 H new HETATM 0 H1VA RCY A 121 65.670 8.032 1.675 1.00 1.00 H new HETATM 0 H1MA RCY A 121 68.971 6.814 5.125 1.00 1.00 H new HETATM 0 H1LA RCY A 121 70.439 11.945 3.977 1.00 1.00 H new HETATM 0 H1CB RCY A 121 68.592 8.994 0.806 1.00 1.00 H new HETATM 0 H1CA RCY A 121 69.183 7.325 0.628 1.00 1.00 H new HETATM 0 H1Z RCY A 121 67.985 3.698 3.612 1.00 1.00 H new HETATM 0 H1Y RCY A 121 65.737 4.673 3.904 1.00 1.00 H new HETATM 0 H1V RCY A 121 66.009 8.032 3.422 1.00 1.00 H new HETATM 0 H1U RCY A 121 69.724 7.510 3.026 1.00 1.00 H new HETATM 0 H1S RCY A 121 67.412 11.691 4.430 1.00 1.00 H new HETATM 0 H1M RCY A 121 67.437 7.645 4.953 1.00 1.00 H new HETATM 0 H1L RCY A 121 69.146 12.648 3.026 1.00 1.00 H new HETATM 0 H1C RCY A 121 67.560 7.762 0.042 1.00 1.00 H new HETATM 1328 C1C RCY A 130 83.944 9.370 -6.523 1.00 1.00 C HETATM 1329 O1G RCY A 130 82.365 14.519 -6.986 1.00 1.00 O HETATM 1330 O1H RCY A 130 80.965 10.060 -6.307 1.00 1.00 O HETATM 1331 O1J RCY A 130 86.085 9.466 -4.408 1.00 1.00 O HETATM 1332 C1L RCY A 130 80.262 13.341 -7.407 1.00 1.00 C HETATM 1333 C1M RCY A 130 83.923 12.615 -4.745 1.00 1.00 C HETATM 1334 C1P RCY A 130 81.726 13.468 -6.968 1.00 1.00 C HETATM 1335 C1Q RCY A 130 81.138 11.175 -6.795 1.00 1.00 C HETATM 1336 N1R RCY A 130 82.292 12.126 -6.504 1.00 1.00 N HETATM 1337 C1S RCY A 130 80.235 11.861 -7.805 1.00 1.00 C HETATM 1338 C1U RCY A 130 83.662 11.809 -5.902 1.00 1.00 C HETATM 1339 C1V RCY A 130 82.582 10.011 -4.484 1.00 1.00 C HETATM 1340 N1V RCY A 130 85.042 10.475 -4.562 1.00 1.00 N HETATM 1341 C1W RCY A 130 84.989 11.866 -3.934 1.00 1.00 C HETATM 1342 C1X RCY A 130 83.764 10.375 -5.384 1.00 1.00 C HETATM 1343 C1Y RCY A 130 84.578 11.774 -2.462 1.00 1.00 C HETATM 1344 C1Z RCY A 130 86.359 12.530 -4.071 1.00 1.00 C HETATM 0 H1ZB RCY A 130 86.659 12.532 -5.119 1.00 1.00 H new HETATM 0 H1ZA RCY A 130 86.304 13.556 -3.707 1.00 1.00 H new HETATM 0 H1YB RCY A 130 84.463 12.778 -2.053 1.00 1.00 H new HETATM 0 H1YA RCY A 130 83.632 11.239 -2.381 1.00 1.00 H new HETATM 0 H1VB RCY A 130 81.666 9.997 -5.074 1.00 1.00 H new HETATM 0 H1VA RCY A 130 82.747 9.026 -4.047 1.00 1.00 H new HETATM 0 H1MA RCY A 130 84.277 13.605 -5.032 1.00 1.00 H new HETATM 0 H1LA RCY A 130 79.564 13.570 -6.602 1.00 1.00 H new HETATM 0 H1CB RCY A 130 83.091 9.429 -7.199 1.00 1.00 H new HETATM 0 H1CA RCY A 130 84.857 9.601 -7.071 1.00 1.00 H new HETATM 0 H1Z RCY A 130 87.092 11.976 -3.485 1.00 1.00 H new HETATM 0 H1Y RCY A 130 85.346 11.240 -1.903 1.00 1.00 H new HETATM 0 H1V RCY A 130 82.489 10.750 -3.688 1.00 1.00 H new HETATM 0 H1U RCY A 130 84.363 11.992 -6.717 1.00 1.00 H new HETATM 0 H1S RCY A 130 80.598 11.718 -8.823 1.00 1.00 H new HETATM 0 H1M RCY A 130 83.016 12.758 -4.158 1.00 1.00 H new HETATM 0 H1L RCY A 130 80.017 14.001 -8.239 1.00 1.00 H new HETATM 0 H1C RCY A 130 84.012 8.363 -6.112 1.00 1.00 H new HETATM 1347 C1C RCY A 138 85.992 0.433 -5.773 1.00 1.00 C HETATM 1348 O1G RCY A 138 82.247 -2.893 -5.935 1.00 1.00 O HETATM 1349 O1H RCY A 138 86.393 -1.521 -7.730 1.00 1.00 O HETATM 1350 O1J RCY A 138 83.354 1.621 -4.939 1.00 1.00 O HETATM 1351 C1L RCY A 138 83.133 -2.789 -8.213 1.00 1.00 C HETATM 1352 C1M RCY A 138 83.982 -1.999 -3.840 1.00 1.00 C HETATM 1353 C1P RCY A 138 83.167 -2.590 -6.693 1.00 1.00 C HETATM 1354 C1Q RCY A 138 85.189 -1.702 -7.561 1.00 1.00 C HETATM 1355 N1R RCY A 138 84.486 -1.969 -6.236 1.00 1.00 N HETATM 1356 C1S RCY A 138 84.123 -1.700 -8.642 1.00 1.00 C HETATM 1357 C1U RCY A 138 84.984 -1.684 -4.817 1.00 1.00 C HETATM 1358 C1V RCY A 138 86.044 0.019 -3.273 1.00 1.00 C HETATM 1359 N1V RCY A 138 83.862 0.339 -4.460 1.00 1.00 N HETATM 1360 C1W RCY A 138 83.089 -0.757 -3.727 1.00 1.00 C HETATM 1361 C1X RCY A 138 85.279 -0.204 -4.579 1.00 1.00 C HETATM 1362 C1Y RCY A 138 82.882 -0.375 -2.259 1.00 1.00 C HETATM 1363 C1Z RCY A 138 81.746 -0.973 -4.423 1.00 1.00 C HETATM 0 H1ZB RCY A 138 81.913 -1.184 -5.479 1.00 1.00 H new HETATM 0 H1ZA RCY A 138 81.229 -1.815 -3.962 1.00 1.00 H new HETATM 0 H1YB RCY A 138 82.406 -1.202 -1.732 1.00 1.00 H new HETATM 0 H1YA RCY A 138 83.847 -0.159 -1.800 1.00 1.00 H new HETATM 0 H1VB RCY A 138 87.037 -0.423 -3.353 1.00 1.00 H new HETATM 0 H1VA RCY A 138 86.137 1.088 -3.084 1.00 1.00 H new HETATM 0 H1MA RCY A 138 83.401 -2.870 -4.145 1.00 1.00 H new HETATM 0 H1LA RCY A 138 83.455 -3.787 -8.511 1.00 1.00 H new HETATM 0 H1CB RCY A 138 86.938 -0.080 -5.948 1.00 1.00 H new HETATM 0 H1CA RCY A 138 85.364 0.348 -6.660 1.00 1.00 H new HETATM 0 H1Z RCY A 138 81.137 -0.075 -4.325 1.00 1.00 H new HETATM 0 H1V RCY A 138 85.504 -0.449 -2.450 1.00 1.00 H new HETATM 0 H1U RCY A 138 85.883 -2.293 -4.719 1.00 1.00 H new HETATM 0 H1S RCY A 138 83.635 -0.728 -8.716 1.00 1.00 H new HETATM 0 H1M RCY A 138 84.437 -2.240 -2.879 1.00 1.00 H new HETATM 0 H1L RCY A 138 82.138 -2.637 -8.632 1.00 1.00 H new HETATM 0 H1C RCY A 138 86.183 1.485 -5.563 1.00 1.00 H new HETATM 1366 C1C RCY A 150 79.895 -4.575 -0.927 1.00 1.00 C HETATM 1367 O1G RCY A 150 82.693 -7.963 0.486 1.00 1.00 O HETATM 1368 O1H RCY A 150 82.993 -5.636 -3.612 1.00 1.00 O HETATM 1369 O1J RCY A 150 80.547 -1.773 -0.039 1.00 1.00 O HETATM 1370 C1L RCY A 150 83.133 -8.672 -1.814 1.00 1.00 C HETATM 1371 C1M RCY A 150 83.542 -4.126 -0.489 1.00 1.00 C HETATM 1372 C1P RCY A 150 82.799 -7.668 -0.703 1.00 1.00 C HETATM 1373 C1Q RCY A 150 82.739 -6.485 -2.759 1.00 1.00 C HETATM 1374 N1R RCY A 150 82.613 -6.257 -1.258 1.00 1.00 N HETATM 1375 C1S RCY A 150 82.492 -7.962 -3.011 1.00 1.00 C HETATM 1376 C1U RCY A 150 82.365 -4.946 -0.509 1.00 1.00 C HETATM 1377 C1V RCY A 150 81.595 -3.895 -2.681 1.00 1.00 C HETATM 1378 N1V RCY A 150 81.547 -2.754 -0.452 1.00 1.00 N HETATM 1379 C1W RCY A 150 83.058 -2.691 -0.242 1.00 1.00 C HETATM 1380 C1X RCY A 150 81.314 -4.067 -1.186 1.00 1.00 C HETATM 1381 C1Y RCY A 150 83.698 -1.727 -1.246 1.00 1.00 C HETATM 1382 C1Z RCY A 150 83.347 -2.246 1.191 1.00 1.00 C HETATM 0 H1ZA RCY A 150 84.421 -2.286 1.375 1.00 1.00 H new HETATM 0 H1YB RCY A 150 84.782 -1.757 -1.139 1.00 1.00 H new HETATM 0 H1YA RCY A 150 83.425 -2.022 -2.259 1.00 1.00 H new HETATM 0 H1VB RCY A 150 81.479 -4.854 -3.186 1.00 1.00 H new HETATM 0 H1VA RCY A 150 80.893 -3.176 -3.103 1.00 1.00 H new HETATM 0 H1MA RCY A 150 84.227 -4.447 0.296 1.00 1.00 H new HETATM 0 H1LA RCY A 150 84.206 -8.814 -1.939 1.00 1.00 H new HETATM 0 H1CB RCY A 150 79.795 -5.588 -1.316 1.00 1.00 H new HETATM 0 H1Y RCY A 150 83.343 -0.714 -1.055 1.00 1.00 H new HETATM 0 H1V RCY A 150 82.614 -3.533 -2.820 1.00 1.00 H new HETATM 0 H1U RCY A 150 82.046 -5.260 0.485 1.00 1.00 H new HETATM 0 H1S RCY A 150 81.426 -8.180 -3.077 1.00 1.00 H new HETATM 0 H1M RCY A 150 84.083 -4.198 -1.433 1.00 1.00 H new HETATM 0 H1L RCY A 150 82.700 -9.656 -1.631 1.00 1.00 H new HETATM 1385 C1C RCY A 160 69.933 2.052 -2.504 1.00 1.00 C HETATM 1386 O1G RCY A 160 72.551 -0.189 -4.528 1.00 1.00 O HETATM 1387 O1H RCY A 160 70.106 3.360 -6.460 1.00 1.00 O HETATM 1388 O1J RCY A 160 71.902 0.007 -1.499 1.00 1.00 O HETATM 1389 C1L RCY A 160 71.159 -0.010 -6.533 1.00 1.00 C HETATM 1390 C1M RCY A 160 73.358 2.799 -3.688 1.00 1.00 C HETATM 1391 C1P RCY A 160 71.815 0.492 -5.240 1.00 1.00 C HETATM 1392 C1Q RCY A 160 70.443 2.247 -6.059 1.00 1.00 C HETATM 1393 N1R RCY A 160 71.440 1.944 -4.947 1.00 1.00 N HETATM 1394 C1S RCY A 160 69.939 0.916 -6.585 1.00 1.00 C HETATM 1395 C1U RCY A 160 71.932 2.865 -3.829 1.00 1.00 C HETATM 1396 C1V RCY A 160 71.662 3.544 -1.404 1.00 1.00 C HETATM 1397 N1V RCY A 160 72.281 1.244 -2.177 1.00 1.00 N HETATM 1398 C1W RCY A 160 73.642 1.606 -2.767 1.00 1.00 C HETATM 1399 C1X RCY A 160 71.406 2.459 -2.452 1.00 1.00 C HETATM 1400 C1Y RCY A 160 74.619 2.003 -1.657 1.00 1.00 C HETATM 1401 C1Z RCY A 160 74.180 0.412 -3.556 1.00 1.00 C HETATM 0 H1ZB RCY A 160 73.445 0.108 -4.301 1.00 1.00 H new HETATM 0 H1YB RCY A 160 75.557 2.338 -2.100 1.00 1.00 H new HETATM 0 H1YA RCY A 160 74.189 2.811 -1.065 1.00 1.00 H new HETATM 0 H1VB RCY A 160 71.072 4.429 -1.645 1.00 1.00 H new HETATM 0 H1VA RCY A 160 71.376 3.174 -0.420 1.00 1.00 H new HETATM 0 H1MA RCY A 160 73.839 2.666 -4.657 1.00 1.00 H new HETATM 0 H1LA RCY A 160 71.807 0.105 -7.402 1.00 1.00 H new HETATM 0 H1CB RCY A 160 69.336 2.890 -2.864 1.00 1.00 H new HETATM 0 H1CA RCY A 160 69.813 1.205 -3.179 1.00 1.00 H new HETATM 0 H1Y RCY A 160 74.808 1.143 -1.014 1.00 1.00 H new HETATM 0 H1V RCY A 160 72.721 3.804 -1.400 1.00 1.00 H new HETATM 0 H1U RCY A 160 71.577 3.854 -4.119 1.00 1.00 H new HETATM 0 H1S RCY A 160 69.123 0.531 -5.973 1.00 1.00 H new HETATM 0 H1M RCY A 160 73.750 3.722 -3.261 1.00 1.00 H new HETATM 0 H1L RCY A 160 70.882 -1.063 -6.479 1.00 1.00 H new HETATM 0 H1C RCY A 160 69.598 1.771 -1.506 1.00 1.00 H new HETATM 1404 C1C RCY A 168 73.058 -0.804 -2.589 1.00 1.00 C HETATM 1405 O1G RCY A 168 74.645 -5.730 -2.651 1.00 1.00 O HETATM 1406 O1H RCY A 168 72.024 -2.099 -1.153 1.00 1.00 O HETATM 1407 O1J RCY A 168 74.146 -0.192 0.151 1.00 1.00 O HETATM 1408 C1L RCY A 168 72.480 -5.581 -1.520 1.00 1.00 C HETATM 1409 C1M RCY A 168 76.157 -2.714 -1.924 1.00 1.00 C HETATM 1410 C1P RCY A 168 73.773 -5.032 -2.136 1.00 1.00 C HETATM 1411 C1Q RCY A 168 72.592 -3.187 -1.223 1.00 1.00 C HETATM 1412 N1R RCY A 168 73.844 -3.509 -2.030 1.00 1.00 N HETATM 1413 C1S RCY A 168 72.172 -4.464 -0.517 1.00 1.00 C HETATM 1414 C1U RCY A 168 74.895 -2.547 -2.586 1.00 1.00 C HETATM 1415 C1V RCY A 168 75.440 -0.139 -3.151 1.00 1.00 C HETATM 1416 N1V RCY A 168 74.862 -0.967 -0.859 1.00 1.00 N HETATM 1417 C1W RCY A 168 76.096 -1.845 -0.661 1.00 1.00 C HETATM 1418 C1X RCY A 168 74.543 -1.080 -2.343 1.00 1.00 C HETATM 1419 C1Y RCY A 168 77.354 -0.980 -0.541 1.00 1.00 C HETATM 1420 C1Z RCY A 168 75.908 -2.699 0.592 1.00 1.00 C HETATM 0 H1ZB RCY A 168 74.977 -3.261 0.513 1.00 1.00 H new HETATM 0 H1LA RCY A 168 71.688 -5.709 -2.258 1.00 1.00 H new HETATM 0 H1CB RCY A 168 72.808 -1.049 -3.621 1.00 1.00 H new HETATM 0 H1CA RCY A 168 72.458 -1.416 -1.916 1.00 1.00 H new HETATM 0 H1V RCY A 168 76.486 -0.369 -2.947 1.00 1.00 H new HETATM 0 H1U RCY A 168 74.936 -2.779 -3.650 1.00 1.00 H new HETATM 0 H1S RCY A 168 72.724 -4.603 0.413 1.00 1.00 H new HETATM 0 H1L RCY A 168 72.625 -6.547 -1.037 1.00 1.00 H new HETATM 0 H1C RCY A 168 72.849 0.250 -2.405 1.00 1.00 H new HETATM 1423 C1C RCY A 173 77.353 -5.381 -0.892 1.00 1.00 C HETATM 1424 O1G RCY A 173 80.111 -3.261 2.715 1.00 1.00 O HETATM 1425 O1H RCY A 173 77.052 -6.824 2.220 1.00 1.00 O HETATM 1426 O1J RCY A 173 76.635 -2.867 -2.386 1.00 1.00 O HETATM 1427 C1L RCY A 173 79.964 -5.493 3.708 1.00 1.00 C HETATM 1428 C1M RCY A 173 77.630 -2.404 1.288 1.00 1.00 C HETATM 1429 C1P RCY A 173 79.500 -4.322 2.832 1.00 1.00 C HETATM 1430 C1Q RCY A 173 77.829 -6.002 2.702 1.00 1.00 C HETATM 1431 N1R RCY A 173 78.185 -4.639 2.121 1.00 1.00 N HETATM 1432 C1S RCY A 173 78.614 -6.159 3.992 1.00 1.00 C HETATM 1433 C1U RCY A 173 77.415 -3.809 1.092 1.00 1.00 C HETATM 1434 C1V RCY A 173 79.408 -3.958 -0.464 1.00 1.00 C HETATM 1435 N1V RCY A 173 77.223 -2.884 -1.050 1.00 1.00 N HETATM 1436 C1W RCY A 173 77.309 -1.731 -0.052 1.00 1.00 C HETATM 1437 C1X RCY A 173 77.886 -4.057 -0.341 1.00 1.00 C HETATM 1438 C1Y RCY A 173 78.426 -0.762 -0.449 1.00 1.00 C HETATM 1439 C1Z RCY A 173 75.962 -1.010 -0.003 1.00 1.00 C HETATM 0 H1ZA RCY A 173 75.987 -0.244 0.772 1.00 1.00 H new HETATM 0 H1YA RCY A 173 79.365 -1.308 -0.544 1.00 1.00 H new HETATM 0 H1MA RCY A 173 76.988 -2.019 2.081 1.00 1.00 H new HETATM 0 H1LA RCY A 173 80.655 -6.156 3.187 1.00 1.00 H new HETATM 0 H1CB RCY A 173 77.706 -6.203 -0.269 1.00 1.00 H new HETATM 0 H1CA RCY A 173 76.263 -5.364 -0.888 1.00 1.00 H new HETATM 0 H1U RCY A 173 76.375 -4.106 1.231 1.00 1.00 H new HETATM 0 H1S RCY A 173 78.104 -5.679 4.827 1.00 1.00 H new HETATM 0 H1M RCY A 173 78.659 -2.206 1.587 1.00 1.00 H new HETATM 0 H1L RCY A 173 80.465 -5.161 4.617 1.00 1.00 H new HETATM 0 H1C RCY A 173 77.710 -5.520 -1.912 1.00 1.00 H new HETATM 1442 C1C RCY A 176 75.070 -2.052 4.154 1.00 1.00 C HETATM 1443 O1G RCY A 176 77.942 1.963 3.418 1.00 1.00 O HETATM 1444 O1H RCY A 176 76.627 -1.422 6.438 1.00 1.00 O HETATM 1445 O1J RCY A 176 73.911 -0.112 2.164 1.00 1.00 O HETATM 1446 C1L RCY A 176 77.443 1.957 5.813 1.00 1.00 C HETATM 1447 C1M RCY A 176 77.720 -0.545 2.055 1.00 1.00 C HETATM 1448 C1P RCY A 176 77.576 1.342 4.414 1.00 1.00 C HETATM 1449 C1Q RCY A 176 76.723 -0.348 5.846 1.00 1.00 C HETATM 1450 N1R RCY A 176 77.196 -0.138 4.413 1.00 1.00 N HETATM 1451 C1S RCY A 176 76.388 1.020 6.413 1.00 1.00 C HETATM 1452 C1U RCY A 176 77.269 -1.156 3.273 1.00 1.00 C HETATM 1453 C1V RCY A 176 76.029 -2.950 1.985 1.00 1.00 C HETATM 1454 N1V RCY A 176 75.300 -0.560 2.155 1.00 1.00 N HETATM 1455 C1W RCY A 176 76.473 0.046 1.386 1.00 1.00 C HETATM 1456 C1X RCY A 176 75.903 -1.737 2.909 1.00 1.00 C HETATM 1457 C1Y RCY A 176 76.411 -0.356 -0.090 1.00 1.00 C HETATM 1458 C1Z RCY A 176 76.433 1.568 1.532 1.00 1.00 C HETATM 0 H1ZB RCY A 176 76.417 1.832 2.589 1.00 1.00 H new HETATM 0 H1ZA RCY A 176 77.316 2.002 1.063 1.00 1.00 H new HETATM 0 H1VB RCY A 176 76.512 -3.767 2.521 1.00 1.00 H new HETATM 0 H1MA RCY A 176 78.457 0.231 2.259 1.00 1.00 H new HETATM 0 H1LA RCY A 176 78.381 1.939 6.368 1.00 1.00 H new HETATM 0 H1CB RCY A 176 75.598 -2.779 4.771 1.00 1.00 H new HETATM 0 H1CA RCY A 176 74.912 -1.138 4.727 1.00 1.00 H new HETATM 0 H1Z RCY A 176 75.537 1.957 1.047 1.00 1.00 H new HETATM 0 H1Y RCY A 176 75.519 0.073 -0.547 1.00 1.00 H new HETATM 0 H1U RCY A 176 77.947 -1.925 3.643 1.00 1.00 H new HETATM 0 H1S RCY A 176 75.380 1.328 6.135 1.00 1.00 H new HETATM 0 H1M RCY A 176 78.200 -1.278 1.406 1.00 1.00 H new HETATM 0 H1L RCY A 176 77.111 2.995 5.783 1.00 1.00 H new HETATM 0 H1C RCY A 176 74.106 -2.463 3.853 1.00 1.00 H new HETATM 1461 C1C RCY A 187 82.459 -1.839 3.022 1.00 1.00 C HETATM 1462 O1G RCY A 187 81.888 0.412 -1.171 1.00 1.00 O HETATM 1463 O1H RCY A 187 84.953 0.043 2.402 1.00 1.00 O HETATM 1464 O1J RCY A 187 79.690 -1.690 1.849 1.00 1.00 O HETATM 1465 C1L RCY A 187 83.142 2.057 0.137 1.00 1.00 C HETATM 1466 C1M RCY A 187 82.529 -2.352 -0.642 1.00 1.00 C HETATM 1467 C1P RCY A 187 82.664 0.651 -0.247 1.00 1.00 C HETATM 1468 C1Q RCY A 187 84.039 0.425 1.674 1.00 1.00 C HETATM 1469 N1R RCY A 187 83.270 -0.417 0.663 1.00 1.00 N HETATM 1470 C1S RCY A 187 83.466 1.829 1.617 1.00 1.00 C HETATM 1471 C1U RCY A 187 83.145 -1.940 0.587 1.00 1.00 C HETATM 1472 C1V RCY A 187 82.348 -4.036 1.762 1.00 1.00 C HETATM 1473 N1V RCY A 187 80.870 -2.123 1.107 1.00 1.00 N HETATM 1474 C1W RCY A 187 81.015 -2.286 -0.405 1.00 1.00 C HETATM 1475 C1X RCY A 187 82.230 -2.514 1.668 1.00 1.00 C HETATM 1476 C1Y RCY A 187 80.340 -3.578 -0.872 1.00 1.00 C HETATM 1477 C1Z RCY A 187 80.397 -1.073 -1.100 1.00 1.00 C HETATM 0 H1ZB RCY A 187 80.849 -0.161 -0.710 1.00 1.00 H new HETATM 0 H1ZA RCY A 187 80.577 -1.137 -2.173 1.00 1.00 H new HETATM 0 H1VB RCY A 187 83.345 -4.303 2.112 1.00 1.00 H new HETATM 0 H1VA RCY A 187 81.604 -4.416 2.462 1.00 1.00 H new HETATM 0 H1LA RCY A 187 84.013 2.373 -0.437 1.00 1.00 H new HETATM 0 H1CB RCY A 187 83.493 -1.989 3.333 1.00 1.00 H new HETATM 0 H1CA RCY A 187 82.258 -0.771 2.935 1.00 1.00 H new HETATM 0 H1Z RCY A 187 79.323 -1.054 -0.913 1.00 1.00 H new HETATM 0 H1V RCY A 187 82.178 -4.475 0.779 1.00 1.00 H new HETATM 0 H1S RCY A 187 82.573 1.918 2.236 1.00 1.00 H new HETATM 0 H1L RCY A 187 82.372 2.814 -0.010 1.00 1.00 H new HETATM 0 H1C RCY A 187 81.790 -2.275 3.764 1.00 1.00 H new