USER MOD reduce.3.24.130724 H: found=0, std=0, add=790, 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 RCYH1VA : A 138 RCY C1V : A 150 RCY O1J :(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 RCYH1CA : A 138 RCY C1C : A 150 RCY C1Y :(H bumps) USER MOD NoAdj-H: A 138 RCY H1V : A 138 RCY C1V : A 150 RCY O1J :(H bumps) USER MOD NoAdj-H: A 150 RCYH1ZA : A 150 RCY C1Z : A 138 RCY O1J :(H bumps) USER MOD NoAdj-H: A 150 RCYH1YB : A 150 RCY C1Y : A 138 RCY O1J :(H bumps) USER MOD NoAdj-H: A 150 RCYH1YA : A 150 RCY C1Y : A 138 RCY C1X :(H bumps) USER MOD NoAdj-H: A 150 RCYH1SA : A 150 RCY C1S : A 50 CYS SG :(H bumps) USER MOD NoAdj-H: A 150 RCY H1Z : A 150 RCY C1Z : A 138 RCY N1V :(H bumps) USER MOD NoAdj-H: A 150 RCY H1Y : A 150 RCY C1Y : A 138 RCY N1V :(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 H1C : A 160 RCY C1C : A 63 ASP O :(H bumps) USER MOD NoAdj-H: A 168 RCYH1SA : A 168 RCY C1S : A 68 CYS SG :(H bumps) USER MOD NoAdj-H: A 173 RCYH1ZB : A 173 RCY C1Z : A 187 RCY C1X :(H bumps) USER MOD NoAdj-H: A 173 RCYH1ZA : A 173 RCY C1Z : A 187 RCY C1P :(H bumps) USER MOD NoAdj-H: A 173 RCYH1YB : A 173 RCY C1Y : A 176 RCY O1J :(H bumps) USER MOD NoAdj-H: A 173 RCYH1YA : A 173 RCY C1Y : A 187 RCY C1V :(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 187 RCY C1U :(H bumps) USER MOD NoAdj-H: A 173 RCY H1Y : A 173 RCY C1Y : A 176 RCY C1C :(H bumps) USER MOD NoAdj-H: A 173 RCY H1U : A 173 RCY C1U : A 176 RCY C1M :(H bumps) USER MOD NoAdj-H: A 173 RCY H1M : A 173 RCY C1M : A 176 RCY C1W :(H bumps) USER MOD NoAdj-H: A 176 RCYH1VB : A 176 RCY C1V : A 173 RCY C1X :(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 RCYH1MA : A 176 RCY C1M : A 173 RCY C1U :(H bumps) USER MOD NoAdj-H: A 176 RCYH1LA : A 176 RCY C1L : A 173 RCY C1P :(H bumps) USER MOD NoAdj-H: A 176 RCYH1CB : A 176 RCY C1C : A 187 RCY C1X :(H bumps) USER MOD NoAdj-H: A 176 RCYH1CA : A 176 RCY C1C : A 187 RCY C1V :(H bumps) USER MOD NoAdj-H: A 176 RCY H1U : A 176 RCY C1U : A 173 RCY N1R :(H bumps) USER MOD NoAdj-H: A 176 RCY H1M : A 176 RCY C1M : A 173 RCY C1U :(H bumps) USER MOD NoAdj-H: A 176 RCY H1C : A 176 RCY C1C : A 187 RCY C1M :(H bumps) USER MOD NoAdj-H: A 187 RCYH1VB : A 187 RCY C1V : A 176 RCY N1V :(H bumps) USER MOD NoAdj-H: A 187 RCYH1VA : A 187 RCY C1V : A 176 RCY N1V :(H bumps) USER MOD NoAdj-H: A 187 RCYH1SA : A 187 RCY C1S : A 87 CYS SG :(H bumps) USER MOD NoAdj-H: A 187 RCYH1CB : A 187 RCY C1C : A 176 RCY C1P :(H bumps) USER MOD NoAdj-H: A 187 RCYH1CA : A 187 RCY C1C : A 173 RCY N1R :(H bumps) USER MOD NoAdj-H: A 187 RCY H1V : A 187 RCY C1V : A 176 RCY N1V :(H bumps) USER MOD NoAdj-H: A 187 RCY H1M : A 187 RCY C1M : A 176 RCY C1C :(H bumps) USER MOD NoAdj-H: A 187 RCY H1C : A 187 RCY C1C : A 176 RCY C1U :(H bumps) USER MOD Set 1.1: A 44 LYS NZ :NH3+ -140:sc= -7.26! (180deg=-6.93!) USER MOD Set 1.2: A 45 LYS NZ :NH3+ -122:sc= -0.337 (180deg=0) USER MOD Single : A 1 MET CE :methyl 166:sc= -0.0725 (180deg=-0.321) USER MOD Single : A 1 MET N :NH3+ 138:sc= -0.265 (180deg=-1.57!) USER MOD Single : A 2 ASN :FLIP amide:sc= -2.12 F(o=-5.2!,f=-2.1) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0.0426 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.0332 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -149:sc= -0.346 (180deg=-1.67!) USER MOD Single : A 31 LYS NZ :NH3+ 157:sc= -0.0282 (180deg=-0.263) USER MOD Single : A 32 GLN : amide:sc= -0.205 K(o=-0.21,f=-2.9!) USER MOD Single : A 34 GLN : amide:sc= 0 K(o=0,f=-1.7!) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -0.15 X(o=-0.15,f=-0.15) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0.29 USER MOD Single : A 41 LYS NZ :NH3+ -161:sc= -0.15 (180deg=-1.08) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 MET CE :methyl -125:sc= -0.716 (180deg=-5.35!) USER MOD Single : A 62 THR OG1 : rot -175:sc= -2.99! USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 ASN :FLIP amide:sc= -4.55! C(o=-5.7!,f=-4.5!) USER MOD Single : A 75 HIS : no HD1:sc= -5.66! C(o=-5.7!,f=-7.2!) USER MOD Single : A 79 HIS : no HD1:sc= -0.605 X(o=-0.61,f=-0.79) USER MOD Single : A 83 GLN :FLIP amide:sc= -0.842 F(o=-2.3!,f=-0.84) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 65.164 11.338 27.561 1.00 1.00 N ATOM 2 CA MET A 1 64.348 10.283 26.897 1.00 1.00 C ATOM 3 C MET A 1 65.259 9.385 26.057 1.00 1.00 C ATOM 4 O MET A 1 66.464 9.388 26.213 1.00 1.00 O ATOM 5 CB MET A 1 63.298 10.938 25.993 1.00 1.00 C ATOM 6 CG MET A 1 63.990 11.865 24.992 1.00 1.00 C ATOM 7 SD MET A 1 64.641 10.888 23.615 1.00 1.00 S ATOM 8 CE MET A 1 66.348 11.482 23.703 1.00 1.00 C ATOM 0 H1 MET A 1 64.664 12.248 27.508 1.00 1.00 H new ATOM 0 H2 MET A 1 65.315 11.084 28.558 1.00 1.00 H new ATOM 0 H3 MET A 1 66.083 11.419 27.081 1.00 1.00 H new ATOM 0 HA MET A 1 63.847 9.682 27.656 1.00 1.00 H new ATOM 0 HB2 MET A 1 62.731 10.173 25.463 1.00 1.00 H new ATOM 0 HB3 MET A 1 62.586 11.503 26.595 1.00 1.00 H new ATOM 0 HG2 MET A 1 63.285 12.610 24.622 1.00 1.00 H new ATOM 0 HG3 MET A 1 64.799 12.407 25.481 1.00 1.00 H new ATOM 0 HE1 MET A 1 66.990 10.833 23.107 1.00 1.00 H new ATOM 0 HE2 MET A 1 66.400 12.499 23.315 1.00 1.00 H new ATOM 0 HE3 MET A 1 66.684 11.472 24.740 1.00 1.00 H new ATOM 17 N ASN A 2 64.692 8.618 25.166 1.00 1.00 N ATOM 18 CA ASN A 2 65.524 7.719 24.314 1.00 1.00 C ATOM 19 C ASN A 2 64.870 7.576 22.938 1.00 1.00 C ATOM 20 O ASN A 2 63.781 8.060 22.706 1.00 1.00 O ATOM 21 CB ASN A 2 65.627 6.343 24.975 1.00 1.00 C ATOM 22 CG ASN A 2 64.224 5.764 25.170 1.00 1.00 C ATOM 23 OD1 ASN A 2 63.526 5.411 24.126 1.00 1.00 O flip ATOM 24 ND2 ASN A 2 63.759 5.632 26.285 1.00 1.00 N flip ATOM 0 H ASN A 2 63.688 8.575 24.991 1.00 1.00 H new ATOM 0 HA ASN A 2 66.522 8.143 24.201 1.00 1.00 H new ATOM 0 HB2 ASN A 2 66.225 5.674 24.356 1.00 1.00 H new ATOM 0 HB3 ASN A 2 66.134 6.427 25.936 1.00 1.00 H new ATOM 0 HD21 ASN A 2 64.305 5.908 27.101 1.00 1.00 H new ATOM 0 HD22 ASN A 2 62.823 5.245 26.405 1.00 1.00 H new ATOM 31 N LEU A 3 65.528 6.913 22.024 1.00 1.00 N ATOM 32 CA LEU A 3 64.947 6.736 20.661 1.00 1.00 C ATOM 33 C LEU A 3 65.246 5.321 20.160 1.00 1.00 C ATOM 34 O LEU A 3 66.274 5.066 19.565 1.00 1.00 O ATOM 35 CB LEU A 3 65.571 7.761 19.703 1.00 1.00 C ATOM 36 CG LEU A 3 64.802 9.080 19.790 1.00 1.00 C ATOM 37 CD1 LEU A 3 65.725 10.237 19.399 1.00 1.00 C ATOM 38 CD2 LEU A 3 63.608 9.037 18.834 1.00 1.00 C ATOM 0 H LEU A 3 66.444 6.486 22.163 1.00 1.00 H new ATOM 0 HA LEU A 3 63.868 6.887 20.702 1.00 1.00 H new ATOM 0 HB2 LEU A 3 66.618 7.922 19.958 1.00 1.00 H new ATOM 0 HB3 LEU A 3 65.547 7.381 18.682 1.00 1.00 H new ATOM 0 HG LEU A 3 64.448 9.227 20.810 1.00 1.00 H new ATOM 0 HD11 LEU A 3 65.177 11.177 19.461 1.00 1.00 H new ATOM 0 HD12 LEU A 3 66.577 10.268 20.078 1.00 1.00 H new ATOM 0 HD13 LEU A 3 66.080 10.091 18.379 1.00 1.00 H new ATOM 0 HD21 LEU A 3 63.059 9.977 18.895 1.00 1.00 H new ATOM 0 HD22 LEU A 3 63.964 8.890 17.814 1.00 1.00 H new ATOM 0 HD23 LEU A 3 62.950 8.214 19.111 1.00 1.00 H new ATOM 50 N GLU A 4 64.353 4.399 20.395 1.00 1.00 N ATOM 51 CA GLU A 4 64.582 3.001 19.931 1.00 1.00 C ATOM 52 C GLU A 4 64.226 2.905 18.443 1.00 1.00 C ATOM 53 O GLU A 4 63.474 3.708 17.927 1.00 1.00 O ATOM 54 CB GLU A 4 63.691 2.048 20.742 1.00 1.00 C ATOM 55 CG GLU A 4 64.482 1.496 21.930 1.00 1.00 C ATOM 56 CD GLU A 4 64.988 2.656 22.790 1.00 1.00 C ATOM 57 OE1 GLU A 4 64.213 3.160 23.585 1.00 1.00 O ATOM 58 OE2 GLU A 4 66.143 3.020 22.638 1.00 1.00 O ATOM 0 H GLU A 4 63.474 4.553 20.889 1.00 1.00 H new ATOM 0 HA GLU A 4 65.627 2.725 20.073 1.00 1.00 H new ATOM 0 HB2 GLU A 4 62.804 2.574 21.095 1.00 1.00 H new ATOM 0 HB3 GLU A 4 63.346 1.230 20.110 1.00 1.00 H new ATOM 0 HG2 GLU A 4 63.851 0.836 22.526 1.00 1.00 H new ATOM 0 HG3 GLU A 4 65.322 0.899 21.575 1.00 1.00 H new ATOM 65 N PRO A 5 64.762 1.927 17.757 1.00 1.00 N ATOM 66 CA PRO A 5 64.495 1.724 16.303 1.00 1.00 C ATOM 67 C PRO A 5 62.993 1.665 16.000 1.00 1.00 C ATOM 68 O PRO A 5 62.178 1.529 16.891 1.00 1.00 O ATOM 69 CB PRO A 5 65.173 0.381 15.973 1.00 1.00 C ATOM 70 CG PRO A 5 65.540 -0.236 17.284 1.00 1.00 C ATOM 71 CD PRO A 5 65.674 0.907 18.289 1.00 1.00 C ATOM 0 HA PRO A 5 64.879 2.549 15.703 1.00 1.00 H new ATOM 0 HB2 PRO A 5 64.499 -0.268 15.413 1.00 1.00 H new ATOM 0 HB3 PRO A 5 66.057 0.533 15.354 1.00 1.00 H new ATOM 0 HG2 PRO A 5 64.777 -0.945 17.605 1.00 1.00 H new ATOM 0 HG3 PRO A 5 66.475 -0.790 17.202 1.00 1.00 H new ATOM 0 HD2 PRO A 5 65.389 0.596 19.294 1.00 1.00 H new ATOM 0 HD3 PRO A 5 66.699 1.274 18.348 1.00 1.00 H new ATOM 79 N PRO A 6 62.635 1.773 14.749 1.00 1.00 N ATOM 80 CA PRO A 6 61.207 1.738 14.312 1.00 1.00 C ATOM 81 C PRO A 6 60.562 0.368 14.551 1.00 1.00 C ATOM 82 O PRO A 6 61.238 -0.628 14.716 1.00 1.00 O ATOM 83 CB PRO A 6 61.270 2.053 12.812 1.00 1.00 C ATOM 84 CG PRO A 6 62.660 1.708 12.391 1.00 1.00 C ATOM 85 CD PRO A 6 63.553 1.936 13.611 1.00 1.00 C ATOM 0 HA PRO A 6 60.595 2.444 14.874 1.00 1.00 H new ATOM 0 HB2 PRO A 6 60.535 1.469 12.257 1.00 1.00 H new ATOM 0 HB3 PRO A 6 61.052 3.104 12.622 1.00 1.00 H new ATOM 0 HG2 PRO A 6 62.718 0.672 12.056 1.00 1.00 H new ATOM 0 HG3 PRO A 6 62.978 2.332 11.555 1.00 1.00 H new ATOM 0 HD2 PRO A 6 64.370 1.216 13.649 1.00 1.00 H new ATOM 0 HD3 PRO A 6 64.003 2.929 13.598 1.00 1.00 H new ATOM 93 N LYS A 7 59.256 0.317 14.568 1.00 1.00 N ATOM 94 CA LYS A 7 58.550 -0.979 14.794 1.00 1.00 C ATOM 95 C LYS A 7 57.580 -1.234 13.642 1.00 1.00 C ATOM 96 O LYS A 7 57.928 -1.826 12.640 1.00 1.00 O ATOM 97 CB LYS A 7 57.772 -0.912 16.110 1.00 1.00 C ATOM 98 CG LYS A 7 58.738 -0.620 17.260 1.00 1.00 C ATOM 99 CD LYS A 7 57.983 -0.683 18.590 1.00 1.00 C ATOM 100 CE LYS A 7 58.765 0.084 19.658 1.00 1.00 C ATOM 101 NZ LYS A 7 58.281 -0.315 21.009 1.00 1.00 N ATOM 0 H LYS A 7 58.644 1.122 14.434 1.00 1.00 H new ATOM 0 HA LYS A 7 59.279 -1.788 14.844 1.00 1.00 H new ATOM 0 HB2 LYS A 7 57.010 -0.135 16.055 1.00 1.00 H new ATOM 0 HB3 LYS A 7 57.254 -1.855 16.287 1.00 1.00 H new ATOM 0 HG2 LYS A 7 59.553 -1.344 17.257 1.00 1.00 H new ATOM 0 HG3 LYS A 7 59.187 0.365 17.131 1.00 1.00 H new ATOM 0 HD2 LYS A 7 56.987 -0.255 18.476 1.00 1.00 H new ATOM 0 HD3 LYS A 7 57.850 -1.721 18.896 1.00 1.00 H new ATOM 0 HE2 LYS A 7 59.831 -0.126 19.565 1.00 1.00 H new ATOM 0 HE3 LYS A 7 58.638 1.157 19.517 1.00 1.00 H new ATOM 0 HZ1 LYS A 7 58.812 0.206 21.736 1.00 1.00 H new ATOM 0 HZ2 LYS A 7 57.268 -0.093 21.094 1.00 1.00 H new ATOM 0 HZ3 LYS A 7 58.424 -1.337 21.141 1.00 1.00 H new ATOM 115 N ALA A 8 56.364 -0.789 13.779 1.00 1.00 N ATOM 116 CA ALA A 8 55.365 -1.000 12.695 1.00 1.00 C ATOM 117 C ALA A 8 55.329 -2.482 12.320 1.00 1.00 C ATOM 118 O ALA A 8 56.056 -3.289 12.864 1.00 1.00 O ATOM 119 CB ALA A 8 55.759 -0.174 11.469 1.00 1.00 C ATOM 0 H ALA A 8 56.017 -0.287 14.596 1.00 1.00 H new ATOM 0 HA ALA A 8 54.380 -0.687 13.042 1.00 1.00 H new ATOM 0 HB1 ALA A 8 55.028 -0.329 10.676 1.00 1.00 H new ATOM 0 HB2 ALA A 8 55.787 0.882 11.736 1.00 1.00 H new ATOM 0 HB3 ALA A 8 56.743 -0.487 11.121 1.00 1.00 H new ATOM 125 N GLU A 9 54.487 -2.847 11.392 1.00 1.00 N ATOM 126 CA GLU A 9 54.402 -4.276 10.980 1.00 1.00 C ATOM 127 C GLU A 9 55.393 -4.535 9.841 1.00 1.00 C ATOM 128 O GLU A 9 56.575 -4.285 9.968 1.00 1.00 O ATOM 129 CB GLU A 9 52.977 -4.584 10.511 1.00 1.00 C ATOM 130 CG GLU A 9 52.755 -6.098 10.509 1.00 1.00 C ATOM 131 CD GLU A 9 52.594 -6.593 11.947 1.00 1.00 C ATOM 132 OE1 GLU A 9 51.494 -6.498 12.466 1.00 1.00 O ATOM 133 OE2 GLU A 9 53.574 -7.058 12.506 1.00 1.00 O ATOM 0 H GLU A 9 53.854 -2.216 10.901 1.00 1.00 H new ATOM 0 HA GLU A 9 54.649 -4.919 11.824 1.00 1.00 H new ATOM 0 HB2 GLU A 9 52.254 -4.101 11.168 1.00 1.00 H new ATOM 0 HB3 GLU A 9 52.817 -4.181 9.511 1.00 1.00 H new ATOM 0 HG2 GLU A 9 51.867 -6.345 9.927 1.00 1.00 H new ATOM 0 HG3 GLU A 9 53.598 -6.599 10.033 1.00 1.00 H new ATOM 140 N CYS A 10 54.921 -5.035 8.729 1.00 1.00 N ATOM 141 CA CYS A 10 55.832 -5.310 7.581 1.00 1.00 C ATOM 142 C CYS A 10 55.162 -4.849 6.284 1.00 1.00 C ATOM 143 O CYS A 10 55.637 -5.115 5.197 1.00 1.00 O ATOM 144 CB CYS A 10 56.128 -6.816 7.522 1.00 1.00 C ATOM 145 SG CYS A 10 55.263 -7.555 6.114 1.00 1.00 S ATOM 0 H CYS A 10 53.941 -5.265 8.567 1.00 1.00 H new ATOM 0 HA CYS A 10 56.769 -4.768 7.708 1.00 1.00 H new ATOM 0 HB2 CYS A 10 57.201 -6.982 7.429 1.00 1.00 H new ATOM 0 HB3 CYS A 10 55.810 -7.295 8.448 1.00 1.00 H new ATOM 150 N ARG A 11 54.062 -4.156 6.396 1.00 1.00 N ATOM 151 CA ARG A 11 53.350 -3.669 5.180 1.00 1.00 C ATOM 152 C ARG A 11 54.009 -2.378 4.681 1.00 1.00 C ATOM 153 O ARG A 11 53.929 -2.041 3.516 1.00 1.00 O ATOM 154 CB ARG A 11 51.882 -3.390 5.532 1.00 1.00 C ATOM 155 CG ARG A 11 51.047 -4.648 5.284 1.00 1.00 C ATOM 156 CD ARG A 11 51.549 -5.779 6.184 1.00 1.00 C ATOM 157 NE ARG A 11 52.330 -6.752 5.370 1.00 1.00 N ATOM 158 CZ ARG A 11 52.395 -8.004 5.733 1.00 1.00 C ATOM 159 NH1 ARG A 11 51.775 -8.404 6.809 1.00 1.00 N ATOM 160 NH2 ARG A 11 53.080 -8.855 5.020 1.00 1.00 N ATOM 0 H ARG A 11 53.623 -3.905 7.282 1.00 1.00 H new ATOM 0 HA ARG A 11 53.403 -4.427 4.398 1.00 1.00 H new ATOM 0 HB2 ARG A 11 51.799 -3.086 6.575 1.00 1.00 H new ATOM 0 HB3 ARG A 11 51.503 -2.565 4.929 1.00 1.00 H new ATOM 0 HG2 ARG A 11 49.996 -4.446 5.488 1.00 1.00 H new ATOM 0 HG3 ARG A 11 51.117 -4.943 4.237 1.00 1.00 H new ATOM 0 HD2 ARG A 11 52.171 -5.374 6.982 1.00 1.00 H new ATOM 0 HD3 ARG A 11 50.706 -6.281 6.660 1.00 1.00 H new ATOM 0 HE ARG A 11 52.814 -6.440 4.528 1.00 1.00 H new ATOM 0 HH11 ARG A 11 51.240 -7.738 7.366 1.00 1.00 H new ATOM 0 HH12 ARG A 11 51.826 -9.382 7.093 1.00 1.00 H new ATOM 0 HH21 ARG A 11 53.565 -8.542 4.179 1.00 1.00 H new ATOM 0 HH22 ARG A 11 53.131 -9.833 5.304 1.00 1.00 H new ATOM 174 N SER A 12 54.653 -1.651 5.553 1.00 1.00 N ATOM 175 CA SER A 12 55.309 -0.379 5.131 1.00 1.00 C ATOM 176 C SER A 12 54.237 0.622 4.691 1.00 1.00 C ATOM 177 O SER A 12 53.134 0.624 5.200 1.00 1.00 O ATOM 178 CB SER A 12 56.269 -0.653 3.971 1.00 1.00 C ATOM 179 OG SER A 12 57.272 0.353 3.946 1.00 1.00 O ATOM 0 H SER A 12 54.754 -1.883 6.541 1.00 1.00 H new ATOM 0 HA SER A 12 55.871 0.036 5.968 1.00 1.00 H new ATOM 0 HB2 SER A 12 56.726 -1.636 4.086 1.00 1.00 H new ATOM 0 HB3 SER A 12 55.724 -0.663 3.027 1.00 1.00 H new ATOM 0 HG SER A 12 57.890 0.180 3.205 1.00 1.00 H new ATOM 185 N ALA A 13 54.549 1.476 3.752 1.00 1.00 N ATOM 186 CA ALA A 13 53.539 2.471 3.293 1.00 1.00 C ATOM 187 C ALA A 13 53.948 3.042 1.932 1.00 1.00 C ATOM 188 O ALA A 13 53.360 3.987 1.446 1.00 1.00 O ATOM 189 CB ALA A 13 53.445 3.608 4.313 1.00 1.00 C ATOM 0 H ALA A 13 55.455 1.527 3.286 1.00 1.00 H new ATOM 0 HA ALA A 13 52.571 1.980 3.199 1.00 1.00 H new ATOM 0 HB1 ALA A 13 52.707 4.337 3.979 1.00 1.00 H new ATOM 0 HB2 ALA A 13 53.145 3.205 5.280 1.00 1.00 H new ATOM 0 HB3 ALA A 13 54.416 4.093 4.408 1.00 1.00 H new ATOM 195 N THR A 14 54.950 2.479 1.311 1.00 1.00 N ATOM 196 CA THR A 14 55.387 2.997 -0.018 1.00 1.00 C ATOM 197 C THR A 14 55.964 1.851 -0.852 1.00 1.00 C ATOM 198 O THR A 14 56.848 1.139 -0.419 1.00 1.00 O ATOM 199 CB THR A 14 56.457 4.075 0.179 1.00 1.00 C ATOM 200 OG1 THR A 14 57.278 4.141 -0.978 1.00 1.00 O ATOM 201 CG2 THR A 14 57.315 3.729 1.398 1.00 1.00 C ATOM 0 H THR A 14 55.483 1.685 1.665 1.00 1.00 H new ATOM 0 HA THR A 14 54.530 3.426 -0.537 1.00 1.00 H new ATOM 0 HB THR A 14 55.976 5.040 0.339 1.00 1.00 H new ATOM 0 HG1 THR A 14 57.963 4.831 -0.854 1.00 1.00 H new ATOM 0 HG21 THR A 14 58.076 4.497 1.537 1.00 1.00 H new ATOM 0 HG22 THR A 14 56.684 3.679 2.285 1.00 1.00 H new ATOM 0 HG23 THR A 14 57.797 2.764 1.241 1.00 1.00 H new ATOM 209 N ARG A 15 55.469 1.667 -2.046 1.00 1.00 N ATOM 210 CA ARG A 15 55.989 0.568 -2.908 1.00 1.00 C ATOM 211 C ARG A 15 57.375 0.948 -3.435 1.00 1.00 C ATOM 212 O ARG A 15 57.858 2.039 -3.207 1.00 1.00 O ATOM 213 CB ARG A 15 55.039 0.346 -4.092 1.00 1.00 C ATOM 214 CG ARG A 15 53.797 -0.413 -3.621 1.00 1.00 C ATOM 215 CD ARG A 15 52.782 0.576 -3.044 1.00 1.00 C ATOM 216 NE ARG A 15 51.532 -0.149 -2.683 1.00 1.00 N ATOM 217 CZ ARG A 15 51.471 -0.833 -1.574 1.00 1.00 C ATOM 218 NH1 ARG A 15 52.506 -0.882 -0.780 1.00 1.00 N ATOM 219 NH2 ARG A 15 50.376 -1.468 -1.258 1.00 1.00 N ATOM 0 H ARG A 15 54.727 2.230 -2.461 1.00 1.00 H new ATOM 0 HA ARG A 15 56.057 -0.349 -2.322 1.00 1.00 H new ATOM 0 HB2 ARG A 15 54.750 1.304 -4.523 1.00 1.00 H new ATOM 0 HB3 ARG A 15 55.545 -0.217 -4.876 1.00 1.00 H new ATOM 0 HG2 ARG A 15 53.355 -0.960 -4.454 1.00 1.00 H new ATOM 0 HG3 ARG A 15 54.072 -1.150 -2.866 1.00 1.00 H new ATOM 0 HD2 ARG A 15 53.197 1.068 -2.164 1.00 1.00 H new ATOM 0 HD3 ARG A 15 52.565 1.357 -3.773 1.00 1.00 H new ATOM 0 HE ARG A 15 50.723 -0.111 -3.303 1.00 1.00 H new ATOM 0 HH11 ARG A 15 53.362 -0.385 -1.027 1.00 1.00 H new ATOM 0 HH12 ARG A 15 52.459 -1.417 0.087 1.00 1.00 H new ATOM 0 HH21 ARG A 15 49.567 -1.430 -1.878 1.00 1.00 H new ATOM 0 HH22 ARG A 15 50.329 -2.003 -0.391 1.00 1.00 H new ATOM 233 N VAL A 16 58.017 0.054 -4.139 1.00 1.00 N ATOM 234 CA VAL A 16 59.373 0.356 -4.684 1.00 1.00 C ATOM 235 C VAL A 16 59.256 0.733 -6.163 1.00 1.00 C ATOM 236 O VAL A 16 60.209 1.164 -6.781 1.00 1.00 O ATOM 237 CB VAL A 16 60.264 -0.880 -4.543 1.00 1.00 C ATOM 238 CG1 VAL A 16 59.614 -2.064 -5.261 1.00 1.00 C ATOM 239 CG2 VAL A 16 61.632 -0.595 -5.168 1.00 1.00 C ATOM 0 H VAL A 16 57.660 -0.875 -4.361 1.00 1.00 H new ATOM 0 HA VAL A 16 59.811 1.187 -4.131 1.00 1.00 H new ATOM 0 HB VAL A 16 60.388 -1.119 -3.487 1.00 1.00 H new ATOM 0 HG11 VAL A 16 60.249 -2.944 -5.160 1.00 1.00 H new ATOM 0 HG12 VAL A 16 58.639 -2.268 -4.818 1.00 1.00 H new ATOM 0 HG13 VAL A 16 59.490 -1.825 -6.317 1.00 1.00 H new ATOM 0 HG21 VAL A 16 62.268 -1.475 -5.068 1.00 1.00 H new ATOM 0 HG22 VAL A 16 61.507 -0.356 -6.224 1.00 1.00 H new ATOM 0 HG23 VAL A 16 62.097 0.248 -4.657 1.00 1.00 H new ATOM 249 N MET A 17 58.095 0.572 -6.736 1.00 1.00 N ATOM 250 CA MET A 17 57.923 0.920 -8.175 1.00 1.00 C ATOM 251 C MET A 17 58.943 0.138 -9.008 1.00 1.00 C ATOM 252 O MET A 17 59.508 0.650 -9.954 1.00 1.00 O ATOM 253 CB MET A 17 58.146 2.423 -8.366 1.00 1.00 C ATOM 254 CG MET A 17 57.556 2.861 -9.708 1.00 1.00 C ATOM 255 SD MET A 17 55.759 3.011 -9.557 1.00 1.00 S ATOM 256 CE MET A 17 55.720 4.741 -9.027 1.00 1.00 C ATOM 0 H MET A 17 57.260 0.215 -6.272 1.00 1.00 H new ATOM 0 HA MET A 17 56.914 0.662 -8.498 1.00 1.00 H new ATOM 0 HB2 MET A 17 57.677 2.977 -7.553 1.00 1.00 H new ATOM 0 HB3 MET A 17 59.212 2.650 -8.334 1.00 1.00 H new ATOM 0 HG2 MET A 17 57.987 3.815 -10.013 1.00 1.00 H new ATOM 0 HG3 MET A 17 57.807 2.136 -10.482 1.00 1.00 H new ATOM 0 HE1 MET A 17 54.687 5.051 -8.872 1.00 1.00 H new ATOM 0 HE2 MET A 17 56.275 4.849 -8.095 1.00 1.00 H new ATOM 0 HE3 MET A 17 56.175 5.367 -9.794 1.00 1.00 H new ATOM 266 N GLY A 18 59.183 -1.100 -8.660 1.00 1.00 N ATOM 267 CA GLY A 18 60.167 -1.923 -9.424 1.00 1.00 C ATOM 268 C GLY A 18 59.513 -3.238 -9.854 1.00 1.00 C ATOM 269 O GLY A 18 58.989 -3.977 -9.044 1.00 1.00 O ATOM 0 H GLY A 18 58.738 -1.578 -7.876 1.00 1.00 H new ATOM 0 HA2 GLY A 18 60.513 -1.374 -10.300 1.00 1.00 H new ATOM 0 HA3 GLY A 18 61.043 -2.125 -8.808 1.00 1.00 H new ATOM 273 N GLY A 19 59.544 -3.537 -11.126 1.00 1.00 N ATOM 274 CA GLY A 19 58.931 -4.807 -11.618 1.00 1.00 C ATOM 275 C GLY A 19 60.028 -5.866 -11.784 1.00 1.00 C ATOM 276 O GLY A 19 60.907 -5.982 -10.954 1.00 1.00 O ATOM 0 H GLY A 19 59.969 -2.955 -11.848 1.00 1.00 H new ATOM 0 HA2 GLY A 19 58.175 -5.156 -10.914 1.00 1.00 H new ATOM 0 HA3 GLY A 19 58.427 -4.637 -12.569 1.00 1.00 H new ATOM 280 N PRO A 20 59.987 -6.634 -12.847 1.00 1.00 N ATOM 281 CA PRO A 20 61.006 -7.693 -13.105 1.00 1.00 C ATOM 282 C PRO A 20 62.435 -7.186 -12.874 1.00 1.00 C ATOM 283 O PRO A 20 62.660 -6.007 -12.688 1.00 1.00 O ATOM 284 CB PRO A 20 60.785 -8.052 -14.575 1.00 1.00 C ATOM 285 CG PRO A 20 59.344 -7.754 -14.829 1.00 1.00 C ATOM 286 CD PRO A 20 58.973 -6.583 -13.913 1.00 1.00 C ATOM 0 HA PRO A 20 60.896 -8.543 -12.432 1.00 1.00 H new ATOM 0 HB2 PRO A 20 61.431 -7.464 -15.227 1.00 1.00 H new ATOM 0 HB3 PRO A 20 61.011 -9.101 -14.764 1.00 1.00 H new ATOM 0 HG2 PRO A 20 59.180 -7.495 -15.875 1.00 1.00 H new ATOM 0 HG3 PRO A 20 58.724 -8.625 -14.615 1.00 1.00 H new ATOM 0 HD2 PRO A 20 59.002 -5.633 -14.447 1.00 1.00 H new ATOM 0 HD3 PRO A 20 57.965 -6.693 -13.512 1.00 1.00 H new ATOM 294 N CYS A 21 63.399 -8.069 -12.881 1.00 1.00 N ATOM 295 CA CYS A 21 64.811 -7.644 -12.658 1.00 1.00 C ATOM 296 C CYS A 21 65.577 -7.707 -13.982 1.00 1.00 C ATOM 297 O CYS A 21 65.852 -8.770 -14.501 1.00 1.00 O ATOM 298 CB CYS A 21 65.469 -8.580 -11.638 1.00 1.00 C ATOM 299 SG CYS A 21 65.648 -7.717 -10.057 1.00 1.00 S ATOM 0 H CYS A 21 63.268 -9.069 -13.032 1.00 1.00 H new ATOM 0 HA CYS A 21 64.830 -6.623 -12.278 1.00 1.00 H new ATOM 0 HB2 CYS A 21 64.864 -9.477 -11.508 1.00 1.00 H new ATOM 0 HB3 CYS A 21 66.445 -8.903 -12.001 1.00 1.00 H new ATOM 304 N THR A 22 65.928 -6.571 -14.529 1.00 1.00 N ATOM 305 CA THR A 22 66.682 -6.553 -15.817 1.00 1.00 C ATOM 306 C THR A 22 68.089 -5.994 -15.571 1.00 1.00 C ATOM 307 O THR A 22 68.281 -4.795 -15.522 1.00 1.00 O ATOM 308 CB THR A 22 65.951 -5.652 -16.817 1.00 1.00 C ATOM 309 OG1 THR A 22 66.876 -5.170 -17.781 1.00 1.00 O ATOM 310 CG2 THR A 22 65.320 -4.471 -16.077 1.00 1.00 C ATOM 0 H THR A 22 65.723 -5.652 -14.137 1.00 1.00 H new ATOM 0 HA THR A 22 66.752 -7.565 -16.216 1.00 1.00 H new ATOM 0 HB THR A 22 65.169 -6.223 -17.317 1.00 1.00 H new ATOM 0 HG1 THR A 22 66.410 -4.594 -18.422 1.00 1.00 H new ATOM 0 HG21 THR A 22 64.800 -3.831 -16.790 1.00 1.00 H new ATOM 0 HG22 THR A 22 64.610 -4.842 -15.338 1.00 1.00 H new ATOM 0 HG23 THR A 22 66.099 -3.897 -15.575 1.00 1.00 H new ATOM 318 N PRO A 23 69.069 -6.851 -15.416 1.00 1.00 N ATOM 319 CA PRO A 23 70.478 -6.422 -15.169 1.00 1.00 C ATOM 320 C PRO A 23 70.947 -5.360 -16.169 1.00 1.00 C ATOM 321 O PRO A 23 70.231 -4.990 -17.078 1.00 1.00 O ATOM 322 CB PRO A 23 71.286 -7.712 -15.334 1.00 1.00 C ATOM 323 CG PRO A 23 70.326 -8.813 -15.026 1.00 1.00 C ATOM 324 CD PRO A 23 68.943 -8.317 -15.455 1.00 1.00 C ATOM 0 HA PRO A 23 70.594 -5.960 -14.189 1.00 1.00 H new ATOM 0 HB2 PRO A 23 71.680 -7.804 -16.346 1.00 1.00 H new ATOM 0 HB3 PRO A 23 72.140 -7.732 -14.657 1.00 1.00 H new ATOM 0 HG2 PRO A 23 70.595 -9.723 -15.562 1.00 1.00 H new ATOM 0 HG3 PRO A 23 70.339 -9.053 -13.963 1.00 1.00 H new ATOM 0 HD2 PRO A 23 68.683 -8.670 -16.453 1.00 1.00 H new ATOM 0 HD3 PRO A 23 68.164 -8.670 -14.779 1.00 1.00 H new ATOM 332 N ARG A 24 72.145 -4.868 -16.004 1.00 1.00 N ATOM 333 CA ARG A 24 72.663 -3.830 -16.940 1.00 1.00 C ATOM 334 C ARG A 24 74.142 -3.574 -16.638 1.00 1.00 C ATOM 335 O ARG A 24 74.613 -2.455 -16.689 1.00 1.00 O ATOM 336 CB ARG A 24 71.865 -2.533 -16.748 1.00 1.00 C ATOM 337 CG ARG A 24 72.156 -1.570 -17.900 1.00 1.00 C ATOM 338 CD ARG A 24 70.851 -0.922 -18.367 1.00 1.00 C ATOM 339 NE ARG A 24 71.150 0.382 -19.023 1.00 1.00 N ATOM 340 CZ ARG A 24 71.565 0.410 -20.259 1.00 1.00 C ATOM 341 NH1 ARG A 24 71.719 -0.703 -20.922 1.00 1.00 N ATOM 342 NH2 ARG A 24 71.827 1.553 -20.833 1.00 1.00 N ATOM 0 H ARG A 24 72.788 -5.141 -15.260 1.00 1.00 H new ATOM 0 HA ARG A 24 72.556 -4.172 -17.969 1.00 1.00 H new ATOM 0 HB2 ARG A 24 70.798 -2.754 -16.707 1.00 1.00 H new ATOM 0 HB3 ARG A 24 72.131 -2.069 -15.798 1.00 1.00 H new ATOM 0 HG2 ARG A 24 72.860 -0.803 -17.577 1.00 1.00 H new ATOM 0 HG3 ARG A 24 72.624 -2.105 -18.726 1.00 1.00 H new ATOM 0 HD2 ARG A 24 70.334 -1.582 -19.064 1.00 1.00 H new ATOM 0 HD3 ARG A 24 70.184 -0.770 -17.518 1.00 1.00 H new ATOM 0 HE ARG A 24 71.030 1.253 -18.505 1.00 1.00 H new ATOM 0 HH11 ARG A 24 71.515 -1.596 -20.474 1.00 1.00 H new ATOM 0 HH12 ARG A 24 72.044 -0.680 -21.889 1.00 1.00 H new ATOM 0 HH21 ARG A 24 71.707 2.423 -20.315 1.00 1.00 H new ATOM 0 HH22 ARG A 24 72.152 1.576 -21.800 1.00 1.00 H new ATOM 356 N LYS A 25 74.877 -4.605 -16.318 1.00 1.00 N ATOM 357 CA LYS A 25 76.324 -4.428 -16.005 1.00 1.00 C ATOM 358 C LYS A 25 76.981 -3.546 -17.070 1.00 1.00 C ATOM 359 O LYS A 25 77.223 -3.976 -18.180 1.00 1.00 O ATOM 360 CB LYS A 25 77.019 -5.796 -15.977 1.00 1.00 C ATOM 361 CG LYS A 25 76.029 -6.865 -15.512 1.00 1.00 C ATOM 362 CD LYS A 25 75.296 -7.445 -16.724 1.00 1.00 C ATOM 363 CE LYS A 25 76.131 -8.572 -17.335 1.00 1.00 C ATOM 364 NZ LYS A 25 75.726 -8.775 -18.755 1.00 1.00 N ATOM 0 H LYS A 25 74.536 -5.565 -16.260 1.00 1.00 H new ATOM 0 HA LYS A 25 76.421 -3.951 -15.030 1.00 1.00 H new ATOM 0 HB2 LYS A 25 77.397 -6.043 -16.969 1.00 1.00 H new ATOM 0 HB3 LYS A 25 77.878 -5.765 -15.307 1.00 1.00 H new ATOM 0 HG2 LYS A 25 76.556 -7.657 -14.980 1.00 1.00 H new ATOM 0 HG3 LYS A 25 75.313 -6.433 -14.813 1.00 1.00 H new ATOM 0 HD2 LYS A 25 74.319 -7.824 -16.424 1.00 1.00 H new ATOM 0 HD3 LYS A 25 75.122 -6.665 -17.465 1.00 1.00 H new ATOM 0 HE2 LYS A 25 77.191 -8.325 -17.280 1.00 1.00 H new ATOM 0 HE3 LYS A 25 75.988 -9.493 -16.769 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 76.293 -9.541 -19.172 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 74.718 -9.029 -18.796 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 75.884 -7.897 -19.290 1.00 1.00 H new ATOM 378 N GLY A 26 77.280 -2.319 -16.735 1.00 1.00 N ATOM 379 CA GLY A 26 77.934 -1.409 -17.721 1.00 1.00 C ATOM 380 C GLY A 26 79.404 -1.225 -17.331 1.00 1.00 C ATOM 381 O GLY A 26 79.756 -1.313 -16.171 1.00 1.00 O ATOM 0 H GLY A 26 77.099 -1.907 -15.820 1.00 1.00 H new ATOM 0 HA2 GLY A 26 77.860 -1.827 -18.725 1.00 1.00 H new ATOM 0 HA3 GLY A 26 77.426 -0.445 -17.739 1.00 1.00 H new ATOM 385 N PRO A 27 80.259 -0.971 -18.289 1.00 1.00 N ATOM 386 CA PRO A 27 81.711 -0.773 -18.034 1.00 1.00 C ATOM 387 C PRO A 27 81.970 0.030 -16.749 1.00 1.00 C ATOM 388 O PRO A 27 81.301 1.009 -16.484 1.00 1.00 O ATOM 389 CB PRO A 27 82.173 0.012 -19.261 1.00 1.00 C ATOM 390 CG PRO A 27 81.267 -0.428 -20.365 1.00 1.00 C ATOM 391 CD PRO A 27 79.939 -0.841 -19.720 1.00 1.00 C ATOM 0 HA PRO A 27 82.239 -1.716 -17.889 1.00 1.00 H new ATOM 0 HB2 PRO A 27 82.098 1.086 -19.093 1.00 1.00 H new ATOM 0 HB3 PRO A 27 83.215 -0.202 -19.497 1.00 1.00 H new ATOM 0 HG2 PRO A 27 81.113 0.379 -21.082 1.00 1.00 H new ATOM 0 HG3 PRO A 27 81.705 -1.262 -20.913 1.00 1.00 H new ATOM 0 HD2 PRO A 27 79.164 -0.093 -19.889 1.00 1.00 H new ATOM 0 HD3 PRO A 27 79.571 -1.780 -20.133 1.00 1.00 H new ATOM 399 N PRO A 28 82.933 -0.375 -15.954 1.00 1.00 N ATOM 400 CA PRO A 28 83.269 0.331 -14.687 1.00 1.00 C ATOM 401 C PRO A 28 83.253 1.853 -14.850 1.00 1.00 C ATOM 402 O PRO A 28 83.520 2.376 -15.914 1.00 1.00 O ATOM 403 CB PRO A 28 84.683 -0.157 -14.370 1.00 1.00 C ATOM 404 CG PRO A 28 84.772 -1.517 -14.984 1.00 1.00 C ATOM 405 CD PRO A 28 83.805 -1.540 -16.174 1.00 1.00 C ATOM 0 HA PRO A 28 82.546 0.120 -13.899 1.00 1.00 H new ATOM 0 HB2 PRO A 28 85.434 0.514 -14.787 1.00 1.00 H new ATOM 0 HB3 PRO A 28 84.854 -0.198 -13.294 1.00 1.00 H new ATOM 0 HG2 PRO A 28 85.790 -1.726 -15.312 1.00 1.00 H new ATOM 0 HG3 PRO A 28 84.507 -2.285 -14.258 1.00 1.00 H new ATOM 0 HD2 PRO A 28 84.338 -1.465 -17.122 1.00 1.00 H new ATOM 0 HD3 PRO A 28 83.232 -2.467 -16.203 1.00 1.00 H new ATOM 413 N LYS A 29 82.947 2.566 -13.798 1.00 1.00 N ATOM 414 CA LYS A 29 82.919 4.056 -13.880 1.00 1.00 C ATOM 415 C LYS A 29 83.926 4.625 -12.879 1.00 1.00 C ATOM 416 O LYS A 29 84.310 5.775 -12.952 1.00 1.00 O ATOM 417 CB LYS A 29 81.507 4.555 -13.544 1.00 1.00 C ATOM 418 CG LYS A 29 81.220 5.841 -14.321 1.00 1.00 C ATOM 419 CD LYS A 29 79.829 6.361 -13.954 1.00 1.00 C ATOM 420 CE LYS A 29 78.771 5.595 -14.750 1.00 1.00 C ATOM 421 NZ LYS A 29 79.087 5.677 -16.204 1.00 1.00 N ATOM 0 H LYS A 29 82.715 2.179 -12.883 1.00 1.00 H new ATOM 0 HA LYS A 29 83.182 4.382 -14.886 1.00 1.00 H new ATOM 0 HB2 LYS A 29 80.771 3.792 -13.798 1.00 1.00 H new ATOM 0 HB3 LYS A 29 81.420 4.738 -12.473 1.00 1.00 H new ATOM 0 HG2 LYS A 29 81.974 6.594 -14.090 1.00 1.00 H new ATOM 0 HG3 LYS A 29 81.278 5.651 -15.393 1.00 1.00 H new ATOM 0 HD2 LYS A 29 79.654 6.239 -12.885 1.00 1.00 H new ATOM 0 HD3 LYS A 29 79.759 7.427 -14.169 1.00 1.00 H new ATOM 0 HE2 LYS A 29 78.744 4.553 -14.431 1.00 1.00 H new ATOM 0 HE3 LYS A 29 77.783 6.013 -14.558 1.00 1.00 H new ATOM 0 HZ1 LYS A 29 78.204 5.654 -16.753 1.00 1.00 H new ATOM 0 HZ2 LYS A 29 79.593 6.564 -16.400 1.00 1.00 H new ATOM 0 HZ3 LYS A 29 79.684 4.870 -16.475 1.00 1.00 H new ATOM 435 N CYS A 30 84.358 3.820 -11.946 1.00 1.00 N ATOM 436 CA CYS A 30 85.344 4.297 -10.936 1.00 1.00 C ATOM 437 C CYS A 30 85.439 3.277 -9.798 1.00 1.00 C ATOM 438 O CYS A 30 86.024 3.537 -8.765 1.00 1.00 O ATOM 439 CB CYS A 30 84.894 5.652 -10.378 1.00 1.00 C ATOM 440 SG CYS A 30 85.879 6.971 -11.130 1.00 1.00 S ATOM 0 H CYS A 30 84.068 2.848 -11.840 1.00 1.00 H new ATOM 0 HA CYS A 30 86.321 4.409 -11.406 1.00 1.00 H new ATOM 0 HB2 CYS A 30 83.836 5.810 -10.586 1.00 1.00 H new ATOM 0 HB3 CYS A 30 85.011 5.668 -9.294 1.00 1.00 H new ATOM 445 N LYS A 31 84.866 2.116 -9.980 1.00 1.00 N ATOM 446 CA LYS A 31 84.922 1.077 -8.910 1.00 1.00 C ATOM 447 C LYS A 31 86.131 0.168 -9.153 1.00 1.00 C ATOM 448 O LYS A 31 86.076 -1.026 -8.938 1.00 1.00 O ATOM 449 CB LYS A 31 83.636 0.236 -8.937 1.00 1.00 C ATOM 450 CG LYS A 31 82.494 1.066 -9.527 1.00 1.00 C ATOM 451 CD LYS A 31 82.275 2.315 -8.672 1.00 1.00 C ATOM 452 CE LYS A 31 80.830 2.793 -8.826 1.00 1.00 C ATOM 453 NZ LYS A 31 79.924 1.890 -8.062 1.00 1.00 N ATOM 0 H LYS A 31 84.362 1.843 -10.823 1.00 1.00 H new ATOM 0 HA LYS A 31 85.015 1.561 -7.938 1.00 1.00 H new ATOM 0 HB2 LYS A 31 83.790 -0.664 -9.532 1.00 1.00 H new ATOM 0 HB3 LYS A 31 83.380 -0.089 -7.928 1.00 1.00 H new ATOM 0 HG2 LYS A 31 82.730 1.351 -10.552 1.00 1.00 H new ATOM 0 HG3 LYS A 31 81.580 0.473 -9.563 1.00 1.00 H new ATOM 0 HD2 LYS A 31 82.486 2.094 -7.626 1.00 1.00 H new ATOM 0 HD3 LYS A 31 82.964 3.103 -8.977 1.00 1.00 H new ATOM 0 HE2 LYS A 31 80.733 3.816 -8.462 1.00 1.00 H new ATOM 0 HE3 LYS A 31 80.549 2.802 -9.879 1.00 1.00 H new ATOM 0 HZ1 LYS A 31 79.043 2.394 -7.834 1.00 1.00 H new ATOM 0 HZ2 LYS A 31 79.705 1.051 -8.636 1.00 1.00 H new ATOM 0 HZ3 LYS A 31 80.391 1.594 -7.181 1.00 1.00 H new ATOM 467 N GLN A 32 87.218 0.725 -9.608 1.00 1.00 N ATOM 468 CA GLN A 32 88.429 -0.103 -9.877 1.00 1.00 C ATOM 469 C GLN A 32 89.168 -0.392 -8.566 1.00 1.00 C ATOM 470 O GLN A 32 90.345 -0.689 -8.563 1.00 1.00 O ATOM 471 CB GLN A 32 89.358 0.652 -10.834 1.00 1.00 C ATOM 472 CG GLN A 32 90.304 -0.337 -11.517 1.00 1.00 C ATOM 473 CD GLN A 32 89.561 -1.063 -12.640 1.00 1.00 C ATOM 474 OE1 GLN A 32 88.356 -0.959 -12.753 1.00 1.00 O ATOM 475 NE2 GLN A 32 90.234 -1.800 -13.481 1.00 1.00 N ATOM 0 H GLN A 32 87.321 1.720 -9.806 1.00 1.00 H new ATOM 0 HA GLN A 32 88.125 -1.047 -10.329 1.00 1.00 H new ATOM 0 HB2 GLN A 32 88.771 1.185 -11.582 1.00 1.00 H new ATOM 0 HB3 GLN A 32 89.931 1.400 -10.286 1.00 1.00 H new ATOM 0 HG2 GLN A 32 91.169 0.190 -11.920 1.00 1.00 H new ATOM 0 HG3 GLN A 32 90.680 -1.057 -10.791 1.00 1.00 H new ATOM 0 HE21 GLN A 32 91.246 -1.887 -13.386 1.00 1.00 H new ATOM 0 HE22 GLN A 32 89.748 -2.289 -14.233 1.00 1.00 H new ATOM 484 N ARG A 33 88.492 -0.313 -7.451 1.00 1.00 N ATOM 485 CA ARG A 33 89.175 -0.591 -6.155 1.00 1.00 C ATOM 486 C ARG A 33 88.159 -0.562 -5.011 1.00 1.00 C ATOM 487 O ARG A 33 87.137 0.090 -5.091 1.00 1.00 O ATOM 488 CB ARG A 33 90.252 0.468 -5.903 1.00 1.00 C ATOM 489 CG ARG A 33 89.655 1.863 -6.102 1.00 1.00 C ATOM 490 CD ARG A 33 90.530 2.899 -5.394 1.00 1.00 C ATOM 491 NE ARG A 33 89.934 4.253 -5.566 1.00 1.00 N ATOM 492 CZ ARG A 33 90.210 5.201 -4.713 1.00 1.00 C ATOM 493 NH1 ARG A 33 91.008 4.962 -3.708 1.00 1.00 N ATOM 494 NH2 ARG A 33 89.688 6.388 -4.864 1.00 1.00 N ATOM 0 H ARG A 33 87.504 -0.070 -7.382 1.00 1.00 H new ATOM 0 HA ARG A 33 89.636 -1.578 -6.202 1.00 1.00 H new ATOM 0 HB2 ARG A 33 90.643 0.370 -4.890 1.00 1.00 H new ATOM 0 HB3 ARG A 33 91.090 0.319 -6.584 1.00 1.00 H new ATOM 0 HG2 ARG A 33 89.589 2.093 -7.165 1.00 1.00 H new ATOM 0 HG3 ARG A 33 88.640 1.896 -5.705 1.00 1.00 H new ATOM 0 HD2 ARG A 33 90.612 2.658 -4.334 1.00 1.00 H new ATOM 0 HD3 ARG A 33 91.540 2.880 -5.804 1.00 1.00 H new ATOM 0 HE ARG A 33 89.310 4.439 -6.351 1.00 1.00 H new ATOM 0 HH11 ARG A 33 91.416 4.034 -3.590 1.00 1.00 H new ATOM 0 HH12 ARG A 33 91.224 5.703 -3.041 1.00 1.00 H new ATOM 0 HH21 ARG A 33 89.064 6.575 -5.649 1.00 1.00 H new ATOM 0 HH22 ARG A 33 89.904 7.129 -4.197 1.00 1.00 H new ATOM 508 N GLN A 34 88.440 -1.264 -3.944 1.00 1.00 N ATOM 509 CA GLN A 34 87.505 -1.285 -2.779 1.00 1.00 C ATOM 510 C GLN A 34 88.253 -0.822 -1.527 1.00 1.00 C ATOM 511 O GLN A 34 87.715 -0.121 -0.694 1.00 1.00 O ATOM 512 CB GLN A 34 86.985 -2.711 -2.567 1.00 1.00 C ATOM 513 CG GLN A 34 88.130 -3.707 -2.760 1.00 1.00 C ATOM 514 CD GLN A 34 87.678 -5.098 -2.313 1.00 1.00 C ATOM 515 OE1 GLN A 34 87.848 -5.466 -1.167 1.00 1.00 O ATOM 516 NE2 GLN A 34 87.106 -5.893 -3.175 1.00 1.00 N ATOM 0 H GLN A 34 89.282 -1.827 -3.829 1.00 1.00 H new ATOM 0 HA GLN A 34 86.664 -0.619 -2.971 1.00 1.00 H new ATOM 0 HB2 GLN A 34 86.567 -2.812 -1.566 1.00 1.00 H new ATOM 0 HB3 GLN A 34 86.181 -2.924 -3.271 1.00 1.00 H new ATOM 0 HG2 GLN A 34 88.433 -3.731 -3.807 1.00 1.00 H new ATOM 0 HG3 GLN A 34 89.000 -3.393 -2.183 1.00 1.00 H new ATOM 0 HE21 GLN A 34 86.963 -5.584 -4.137 1.00 1.00 H new ATOM 0 HE22 GLN A 34 86.802 -6.823 -2.887 1.00 1.00 H new ATOM 525 N THR A 35 89.493 -1.208 -1.397 1.00 1.00 N ATOM 526 CA THR A 35 90.293 -0.795 -0.207 1.00 1.00 C ATOM 527 C THR A 35 89.611 -1.280 1.074 1.00 1.00 C ATOM 528 O THR A 35 88.431 -1.079 1.278 1.00 1.00 O ATOM 529 CB THR A 35 90.412 0.731 -0.174 1.00 1.00 C ATOM 530 OG1 THR A 35 90.768 1.204 -1.465 1.00 1.00 O ATOM 531 CG2 THR A 35 91.486 1.140 0.836 1.00 1.00 C ATOM 0 H THR A 35 89.990 -1.795 -2.067 1.00 1.00 H new ATOM 0 HA THR A 35 91.287 -1.238 -0.274 1.00 1.00 H new ATOM 0 HB THR A 35 89.456 1.164 0.121 1.00 1.00 H new ATOM 0 HG1 THR A 35 90.843 2.181 -1.446 1.00 1.00 H new ATOM 0 HG21 THR A 35 91.570 2.227 0.858 1.00 1.00 H new ATOM 0 HG22 THR A 35 91.211 0.777 1.826 1.00 1.00 H new ATOM 0 HG23 THR A 35 92.443 0.708 0.544 1.00 1.00 H new ATOM 539 N ARG A 36 90.348 -1.915 1.945 1.00 1.00 N ATOM 540 CA ARG A 36 89.742 -2.405 3.215 1.00 1.00 C ATOM 541 C ARG A 36 89.510 -1.218 4.152 1.00 1.00 C ATOM 542 O ARG A 36 89.720 -1.304 5.345 1.00 1.00 O ATOM 543 CB ARG A 36 90.683 -3.413 3.881 1.00 1.00 C ATOM 544 CG ARG A 36 92.058 -2.773 4.083 1.00 1.00 C ATOM 545 CD ARG A 36 93.069 -3.850 4.483 1.00 1.00 C ATOM 546 NE ARG A 36 94.408 -3.227 4.677 1.00 1.00 N ATOM 547 CZ ARG A 36 94.733 -2.729 5.839 1.00 1.00 C ATOM 548 NH1 ARG A 36 93.886 -2.778 6.831 1.00 1.00 N ATOM 549 NH2 ARG A 36 95.906 -2.183 6.010 1.00 1.00 N ATOM 0 H ARG A 36 91.342 -2.115 1.832 1.00 1.00 H new ATOM 0 HA ARG A 36 88.791 -2.893 3.002 1.00 1.00 H new ATOM 0 HB2 ARG A 36 90.273 -3.730 4.840 1.00 1.00 H new ATOM 0 HB3 ARG A 36 90.773 -4.306 3.262 1.00 1.00 H new ATOM 0 HG2 ARG A 36 92.380 -2.280 3.166 1.00 1.00 H new ATOM 0 HG3 ARG A 36 92.004 -2.005 4.855 1.00 1.00 H new ATOM 0 HD2 ARG A 36 92.748 -4.342 5.401 1.00 1.00 H new ATOM 0 HD3 ARG A 36 93.122 -4.619 3.712 1.00 1.00 H new ATOM 0 HE ARG A 36 95.071 -3.190 3.902 1.00 1.00 H new ATOM 0 HH11 ARG A 36 92.970 -3.206 6.698 1.00 1.00 H new ATOM 0 HH12 ARG A 36 94.141 -2.389 7.739 1.00 1.00 H new ATOM 0 HH21 ARG A 36 96.569 -2.145 5.236 1.00 1.00 H new ATOM 0 HH22 ARG A 36 96.160 -1.794 6.918 1.00 1.00 H new ATOM 563 N GLN A 37 89.078 -0.109 3.616 1.00 1.00 N ATOM 564 CA GLN A 37 88.831 1.089 4.468 1.00 1.00 C ATOM 565 C GLN A 37 87.650 0.818 5.402 1.00 1.00 C ATOM 566 O GLN A 37 86.708 0.142 5.044 1.00 1.00 O ATOM 567 CB GLN A 37 88.509 2.290 3.572 1.00 1.00 C ATOM 568 CG GLN A 37 88.705 3.586 4.362 1.00 1.00 C ATOM 569 CD GLN A 37 90.201 3.870 4.513 1.00 1.00 C ATOM 570 OE1 GLN A 37 90.872 4.184 3.550 1.00 1.00 O ATOM 571 NE2 GLN A 37 90.755 3.773 5.691 1.00 1.00 N ATOM 0 H GLN A 37 88.885 0.019 2.623 1.00 1.00 H new ATOM 0 HA GLN A 37 89.719 1.304 5.062 1.00 1.00 H new ATOM 0 HB2 GLN A 37 89.155 2.286 2.694 1.00 1.00 H new ATOM 0 HB3 GLN A 37 87.482 2.223 3.212 1.00 1.00 H new ATOM 0 HG2 GLN A 37 88.217 4.415 3.849 1.00 1.00 H new ATOM 0 HG3 GLN A 37 88.239 3.500 5.344 1.00 1.00 H new ATOM 0 HE21 GLN A 37 90.192 3.509 6.499 1.00 1.00 H new ATOM 0 HE22 GLN A 37 91.751 3.961 5.803 1.00 1.00 H new ATOM 580 N CYS A 38 87.696 1.344 6.597 1.00 1.00 N ATOM 581 CA CYS A 38 86.579 1.125 7.560 1.00 1.00 C ATOM 582 C CYS A 38 86.427 -0.373 7.836 1.00 1.00 C ATOM 583 O CYS A 38 86.448 -1.187 6.935 1.00 1.00 O ATOM 584 CB CYS A 38 85.277 1.683 6.969 1.00 1.00 C ATOM 585 SG CYS A 38 84.340 0.342 6.195 1.00 1.00 S ATOM 0 H CYS A 38 88.462 1.918 6.948 1.00 1.00 H new ATOM 0 HA CYS A 38 86.797 1.640 8.496 1.00 1.00 H new ATOM 0 HB2 CYS A 38 84.681 2.152 7.752 1.00 1.00 H new ATOM 0 HB3 CYS A 38 85.501 2.456 6.234 1.00 1.00 H new ATOM 590 N LYS A 39 86.269 -0.744 9.078 1.00 1.00 N ATOM 591 CA LYS A 39 86.112 -2.188 9.413 1.00 1.00 C ATOM 592 C LYS A 39 85.282 -2.323 10.693 1.00 1.00 C ATOM 593 O LYS A 39 84.073 -2.436 10.648 1.00 1.00 O ATOM 594 CB LYS A 39 87.493 -2.823 9.618 1.00 1.00 C ATOM 595 CG LYS A 39 88.470 -1.766 10.138 1.00 1.00 C ATOM 596 CD LYS A 39 89.717 -2.454 10.697 1.00 1.00 C ATOM 597 CE LYS A 39 90.449 -3.182 9.567 1.00 1.00 C ATOM 598 NZ LYS A 39 91.814 -3.563 10.025 1.00 1.00 N ATOM 0 H LYS A 39 86.242 -0.109 9.875 1.00 1.00 H new ATOM 0 HA LYS A 39 85.603 -2.700 8.596 1.00 1.00 H new ATOM 0 HB2 LYS A 39 87.424 -3.649 10.326 1.00 1.00 H new ATOM 0 HB3 LYS A 39 87.857 -3.239 8.678 1.00 1.00 H new ATOM 0 HG2 LYS A 39 88.747 -1.085 9.333 1.00 1.00 H new ATOM 0 HG3 LYS A 39 87.994 -1.166 10.914 1.00 1.00 H new ATOM 0 HD2 LYS A 39 90.376 -1.718 11.156 1.00 1.00 H new ATOM 0 HD3 LYS A 39 89.436 -3.161 11.477 1.00 1.00 H new ATOM 0 HE2 LYS A 39 89.892 -4.071 9.271 1.00 1.00 H new ATOM 0 HE3 LYS A 39 90.514 -2.540 8.689 1.00 1.00 H new ATOM 0 HZ1 LYS A 39 92.312 -4.058 9.258 1.00 1.00 H new ATOM 0 HZ2 LYS A 39 92.344 -2.707 10.286 1.00 1.00 H new ATOM 0 HZ3 LYS A 39 91.740 -4.191 10.851 1.00 1.00 H new ATOM 612 N SER A 40 85.917 -2.311 11.834 1.00 1.00 N ATOM 613 CA SER A 40 85.156 -2.437 13.110 1.00 1.00 C ATOM 614 C SER A 40 83.986 -1.451 13.099 1.00 1.00 C ATOM 615 O SER A 40 82.930 -1.733 12.568 1.00 1.00 O ATOM 616 CB SER A 40 86.078 -2.123 14.289 1.00 1.00 C ATOM 617 OG SER A 40 86.771 -0.909 14.033 1.00 1.00 O ATOM 0 H SER A 40 86.928 -2.220 11.938 1.00 1.00 H new ATOM 0 HA SER A 40 84.777 -3.454 13.210 1.00 1.00 H new ATOM 0 HB2 SER A 40 85.497 -2.037 15.207 1.00 1.00 H new ATOM 0 HB3 SER A 40 86.788 -2.936 14.437 1.00 1.00 H new ATOM 0 HG SER A 40 87.362 -0.704 14.788 1.00 1.00 H new ATOM 623 N LYS A 41 84.165 -0.292 13.675 1.00 1.00 N ATOM 624 CA LYS A 41 83.064 0.713 13.690 1.00 1.00 C ATOM 625 C LYS A 41 83.266 1.694 12.528 1.00 1.00 C ATOM 626 O LYS A 41 84.383 2.002 12.163 1.00 1.00 O ATOM 627 CB LYS A 41 83.094 1.478 15.016 1.00 1.00 C ATOM 628 CG LYS A 41 84.346 2.355 15.072 1.00 1.00 C ATOM 629 CD LYS A 41 84.586 2.812 16.512 1.00 1.00 C ATOM 630 CE LYS A 41 85.509 4.032 16.515 1.00 1.00 C ATOM 631 NZ LYS A 41 86.495 3.911 15.404 1.00 1.00 N ATOM 0 H LYS A 41 85.026 0.002 14.136 1.00 1.00 H new ATOM 0 HA LYS A 41 82.103 0.211 13.584 1.00 1.00 H new ATOM 0 HB2 LYS A 41 82.201 2.095 15.112 1.00 1.00 H new ATOM 0 HB3 LYS A 41 83.090 0.778 15.852 1.00 1.00 H new ATOM 0 HG2 LYS A 41 85.209 1.798 14.707 1.00 1.00 H new ATOM 0 HG3 LYS A 41 84.226 3.220 14.420 1.00 1.00 H new ATOM 0 HD2 LYS A 41 83.638 3.060 16.989 1.00 1.00 H new ATOM 0 HD3 LYS A 41 85.033 2.004 17.091 1.00 1.00 H new ATOM 0 HE2 LYS A 41 84.924 4.944 16.399 1.00 1.00 H new ATOM 0 HE3 LYS A 41 86.029 4.106 17.470 1.00 1.00 H new ATOM 0 HZ1 LYS A 41 87.302 4.541 15.586 1.00 1.00 H new ATOM 0 HZ2 LYS A 41 86.829 2.928 15.342 1.00 1.00 H new ATOM 0 HZ3 LYS A 41 86.042 4.180 14.507 1.00 1.00 H new ATOM 645 N PRO A 42 82.199 2.186 11.951 1.00 1.00 N ATOM 646 CA PRO A 42 82.279 3.151 10.815 1.00 1.00 C ATOM 647 C PRO A 42 82.745 4.538 11.279 1.00 1.00 C ATOM 648 O PRO A 42 82.526 4.919 12.412 1.00 1.00 O ATOM 649 CB PRO A 42 80.840 3.214 10.292 1.00 1.00 C ATOM 650 CG PRO A 42 79.986 2.855 11.463 1.00 1.00 C ATOM 651 CD PRO A 42 80.806 1.883 12.316 1.00 1.00 C ATOM 0 HA PRO A 42 83.000 2.839 10.059 1.00 1.00 H new ATOM 0 HB2 PRO A 42 80.599 4.209 9.919 1.00 1.00 H new ATOM 0 HB3 PRO A 42 80.690 2.519 9.466 1.00 1.00 H new ATOM 0 HG2 PRO A 42 79.719 3.743 12.035 1.00 1.00 H new ATOM 0 HG3 PRO A 42 79.054 2.394 11.137 1.00 1.00 H new ATOM 0 HD2 PRO A 42 80.629 2.037 13.380 1.00 1.00 H new ATOM 0 HD3 PRO A 42 80.552 0.846 12.097 1.00 1.00 H new ATOM 659 N PRO A 43 83.379 5.292 10.416 1.00 1.00 N ATOM 660 CA PRO A 43 83.870 6.655 10.762 1.00 1.00 C ATOM 661 C PRO A 43 82.744 7.694 10.752 1.00 1.00 C ATOM 662 O PRO A 43 82.099 7.907 9.748 1.00 1.00 O ATOM 663 CB PRO A 43 84.882 6.953 9.654 1.00 1.00 C ATOM 664 CG PRO A 43 84.392 6.183 8.472 1.00 1.00 C ATOM 665 CD PRO A 43 83.695 4.934 9.023 1.00 1.00 C ATOM 0 HA PRO A 43 84.290 6.699 11.767 1.00 1.00 H new ATOM 0 HB2 PRO A 43 84.930 8.020 9.439 1.00 1.00 H new ATOM 0 HB3 PRO A 43 85.886 6.641 9.941 1.00 1.00 H new ATOM 0 HG2 PRO A 43 83.702 6.782 7.878 1.00 1.00 H new ATOM 0 HG3 PRO A 43 85.220 5.908 7.818 1.00 1.00 H new ATOM 0 HD2 PRO A 43 82.794 4.696 8.457 1.00 1.00 H new ATOM 0 HD3 PRO A 43 84.343 4.059 8.972 1.00 1.00 H new ATOM 673 N LYS A 44 82.525 8.346 11.865 1.00 1.00 N ATOM 674 CA LYS A 44 81.454 9.387 11.955 1.00 1.00 C ATOM 675 C LYS A 44 81.175 9.668 13.434 1.00 1.00 C ATOM 676 O LYS A 44 81.321 10.778 13.906 1.00 1.00 O ATOM 677 CB LYS A 44 80.159 8.898 11.289 1.00 1.00 C ATOM 678 CG LYS A 44 79.153 10.049 11.229 1.00 1.00 C ATOM 679 CD LYS A 44 78.041 9.706 10.236 1.00 1.00 C ATOM 680 CE LYS A 44 77.190 8.565 10.797 1.00 1.00 C ATOM 681 NZ LYS A 44 76.722 8.922 12.166 1.00 1.00 N ATOM 0 H LYS A 44 83.049 8.200 12.728 1.00 1.00 H new ATOM 0 HA LYS A 44 81.790 10.288 11.442 1.00 1.00 H new ATOM 0 HB2 LYS A 44 80.370 8.532 10.284 1.00 1.00 H new ATOM 0 HB3 LYS A 44 79.740 8.063 11.851 1.00 1.00 H new ATOM 0 HG2 LYS A 44 78.730 10.227 12.217 1.00 1.00 H new ATOM 0 HG3 LYS A 44 79.654 10.968 10.926 1.00 1.00 H new ATOM 0 HD2 LYS A 44 77.419 10.582 10.054 1.00 1.00 H new ATOM 0 HD3 LYS A 44 78.471 9.416 9.278 1.00 1.00 H new ATOM 0 HE2 LYS A 44 76.336 8.380 10.146 1.00 1.00 H new ATOM 0 HE3 LYS A 44 77.772 7.644 10.829 1.00 1.00 H new ATOM 0 HZ1 LYS A 44 76.770 8.083 12.779 1.00 1.00 H new ATOM 0 HZ2 LYS A 44 77.329 9.671 12.556 1.00 1.00 H new ATOM 0 HZ3 LYS A 44 75.740 9.261 12.120 1.00 1.00 H new ATOM 695 N LYS A 45 80.781 8.661 14.168 1.00 1.00 N ATOM 696 CA LYS A 45 80.498 8.852 15.619 1.00 1.00 C ATOM 697 C LYS A 45 80.637 7.508 16.339 1.00 1.00 C ATOM 698 O LYS A 45 81.136 7.437 17.445 1.00 1.00 O ATOM 699 CB LYS A 45 79.075 9.388 15.805 1.00 1.00 C ATOM 700 CG LYS A 45 78.110 8.599 14.918 1.00 1.00 C ATOM 701 CD LYS A 45 76.687 9.126 15.115 1.00 1.00 C ATOM 702 CE LYS A 45 76.613 10.582 14.652 1.00 1.00 C ATOM 703 NZ LYS A 45 75.312 10.819 13.965 1.00 1.00 N ATOM 0 H LYS A 45 80.643 7.711 13.823 1.00 1.00 H new ATOM 0 HA LYS A 45 81.206 9.568 16.036 1.00 1.00 H new ATOM 0 HB2 LYS A 45 78.777 9.303 16.850 1.00 1.00 H new ATOM 0 HB3 LYS A 45 79.038 10.447 15.548 1.00 1.00 H new ATOM 0 HG2 LYS A 45 78.402 8.693 13.872 1.00 1.00 H new ATOM 0 HG3 LYS A 45 78.154 7.539 15.168 1.00 1.00 H new ATOM 0 HD2 LYS A 45 75.981 8.517 14.550 1.00 1.00 H new ATOM 0 HD3 LYS A 45 76.403 9.052 16.165 1.00 1.00 H new ATOM 0 HE2 LYS A 45 76.713 11.252 15.506 1.00 1.00 H new ATOM 0 HE3 LYS A 45 77.439 10.802 13.976 1.00 1.00 H new ATOM 0 HZ1 LYS A 45 75.487 11.156 12.997 1.00 1.00 H new ATOM 0 HZ2 LYS A 45 74.771 9.931 13.930 1.00 1.00 H new ATOM 0 HZ3 LYS A 45 74.769 11.535 14.488 1.00 1.00 H new ATOM 717 N GLY A 46 80.204 6.440 15.719 1.00 1.00 N ATOM 718 CA GLY A 46 80.316 5.098 16.365 1.00 1.00 C ATOM 719 C GLY A 46 79.008 4.325 16.184 1.00 1.00 C ATOM 720 O GLY A 46 78.983 3.256 15.606 1.00 1.00 O ATOM 0 H GLY A 46 79.777 6.440 14.792 1.00 1.00 H new ATOM 0 HA2 GLY A 46 81.143 4.540 15.925 1.00 1.00 H new ATOM 0 HA3 GLY A 46 80.538 5.212 17.426 1.00 1.00 H new ATOM 724 N VAL A 47 77.922 4.853 16.678 1.00 1.00 N ATOM 725 CA VAL A 47 76.618 4.144 16.539 1.00 1.00 C ATOM 726 C VAL A 47 76.348 3.851 15.060 1.00 1.00 C ATOM 727 O VAL A 47 76.933 2.958 14.479 1.00 1.00 O ATOM 728 CB VAL A 47 75.497 5.023 17.102 1.00 1.00 C ATOM 729 CG1 VAL A 47 75.452 4.882 18.625 1.00 1.00 C ATOM 730 CG2 VAL A 47 75.763 6.484 16.734 1.00 1.00 C ATOM 0 H VAL A 47 77.881 5.745 17.172 1.00 1.00 H new ATOM 0 HA VAL A 47 76.655 3.205 17.091 1.00 1.00 H new ATOM 0 HB VAL A 47 74.542 4.708 16.680 1.00 1.00 H new ATOM 0 HG11 VAL A 47 74.654 5.508 19.025 1.00 1.00 H new ATOM 0 HG12 VAL A 47 75.264 3.841 18.889 1.00 1.00 H new ATOM 0 HG13 VAL A 47 76.406 5.196 19.048 1.00 1.00 H new ATOM 0 HG21 VAL A 47 74.966 7.111 17.134 1.00 1.00 H new ATOM 0 HG22 VAL A 47 76.718 6.798 17.156 1.00 1.00 H new ATOM 0 HG23 VAL A 47 75.795 6.586 15.649 1.00 1.00 H new ATOM 740 N GLN A 48 75.463 4.590 14.447 1.00 1.00 N ATOM 741 CA GLN A 48 75.156 4.347 13.008 1.00 1.00 C ATOM 742 C GLN A 48 74.811 5.671 12.324 1.00 1.00 C ATOM 743 O GLN A 48 75.601 6.221 11.581 1.00 1.00 O ATOM 744 CB GLN A 48 73.963 3.395 12.898 1.00 1.00 C ATOM 745 CG GLN A 48 74.373 2.003 13.383 1.00 1.00 C ATOM 746 CD GLN A 48 73.227 1.019 13.139 1.00 1.00 C ATOM 747 OE1 GLN A 48 72.133 1.207 13.633 1.00 1.00 O ATOM 748 NE2 GLN A 48 73.433 -0.030 12.391 1.00 1.00 N ATOM 0 H GLN A 48 74.940 5.351 14.880 1.00 1.00 H new ATOM 0 HA GLN A 48 76.026 3.905 12.523 1.00 1.00 H new ATOM 0 HB2 GLN A 48 73.130 3.768 13.494 1.00 1.00 H new ATOM 0 HB3 GLN A 48 73.619 3.345 11.865 1.00 1.00 H new ATOM 0 HG2 GLN A 48 75.269 1.672 12.857 1.00 1.00 H new ATOM 0 HG3 GLN A 48 74.620 2.034 14.444 1.00 1.00 H new ATOM 0 HE21 GLN A 48 74.351 -0.188 11.976 1.00 1.00 H new ATOM 0 HE22 GLN A 48 72.676 -0.692 12.221 1.00 1.00 H new ATOM 757 N GLY A 49 73.635 6.185 12.562 1.00 1.00 N ATOM 758 CA GLY A 49 73.240 7.470 11.920 1.00 1.00 C ATOM 759 C GLY A 49 72.997 7.237 10.427 1.00 1.00 C ATOM 760 O GLY A 49 72.124 6.486 10.044 1.00 1.00 O ATOM 0 H GLY A 49 72.931 5.770 13.173 1.00 1.00 H new ATOM 0 HA2 GLY A 49 72.338 7.862 12.390 1.00 1.00 H new ATOM 0 HA3 GLY A 49 74.023 8.216 12.061 1.00 1.00 H new ATOM 764 N CYS A 50 73.768 7.874 9.585 1.00 1.00 N ATOM 765 CA CYS A 50 73.591 7.693 8.115 1.00 1.00 C ATOM 766 C CYS A 50 72.148 8.022 7.725 1.00 1.00 C ATOM 767 O CYS A 50 71.869 9.061 7.161 1.00 1.00 O ATOM 768 CB CYS A 50 73.908 6.241 7.734 1.00 1.00 C ATOM 769 SG CYS A 50 72.917 5.764 6.297 1.00 1.00 S ATOM 0 H CYS A 50 74.515 8.514 9.854 1.00 1.00 H new ATOM 0 HA CYS A 50 74.269 8.363 7.586 1.00 1.00 H new ATOM 0 HB2 CYS A 50 74.969 6.137 7.508 1.00 1.00 H new ATOM 0 HB3 CYS A 50 73.694 5.579 8.573 1.00 1.00 H new ATOM 774 N GLY A 51 71.232 7.135 8.005 1.00 1.00 N ATOM 775 CA GLY A 51 69.808 7.382 7.638 1.00 1.00 C ATOM 776 C GLY A 51 69.246 8.551 8.451 1.00 1.00 C ATOM 777 O GLY A 51 68.192 8.450 9.047 1.00 1.00 O ATOM 0 H GLY A 51 71.409 6.247 8.474 1.00 1.00 H new ATOM 0 HA2 GLY A 51 69.732 7.601 6.573 1.00 1.00 H new ATOM 0 HA3 GLY A 51 69.217 6.485 7.822 1.00 1.00 H new ATOM 781 N ASP A 52 69.930 9.663 8.474 1.00 1.00 N ATOM 782 CA ASP A 52 69.417 10.833 9.242 1.00 1.00 C ATOM 783 C ASP A 52 68.528 11.680 8.326 1.00 1.00 C ATOM 784 O ASP A 52 68.299 12.847 8.570 1.00 1.00 O ATOM 785 CB ASP A 52 70.593 11.673 9.749 1.00 1.00 C ATOM 786 CG ASP A 52 71.261 12.382 8.570 1.00 1.00 C ATOM 787 OD1 ASP A 52 70.770 13.428 8.177 1.00 1.00 O ATOM 788 OD2 ASP A 52 72.253 11.868 8.079 1.00 1.00 O ATOM 0 H ASP A 52 70.819 9.811 7.996 1.00 1.00 H new ATOM 0 HA ASP A 52 68.836 10.487 10.097 1.00 1.00 H new ATOM 0 HB2 ASP A 52 70.243 12.406 10.476 1.00 1.00 H new ATOM 0 HB3 ASP A 52 71.315 11.036 10.260 1.00 1.00 H new ATOM 793 N ASP A 53 68.024 11.089 7.273 1.00 1.00 N ATOM 794 CA ASP A 53 67.140 11.834 6.326 1.00 1.00 C ATOM 795 C ASP A 53 67.974 12.814 5.490 1.00 1.00 C ATOM 796 O ASP A 53 67.442 13.607 4.738 1.00 1.00 O ATOM 797 CB ASP A 53 66.048 12.588 7.112 1.00 1.00 C ATOM 798 CG ASP A 53 66.283 14.096 7.005 1.00 1.00 C ATOM 799 OD1 ASP A 53 67.375 14.530 7.334 1.00 1.00 O ATOM 800 OD2 ASP A 53 65.368 14.791 6.595 1.00 1.00 O ATOM 0 H ASP A 53 68.189 10.113 7.027 1.00 1.00 H new ATOM 0 HA ASP A 53 66.659 11.125 5.652 1.00 1.00 H new ATOM 0 HB2 ASP A 53 65.063 12.335 6.719 1.00 1.00 H new ATOM 0 HB3 ASP A 53 66.062 12.281 8.158 1.00 1.00 H new ATOM 805 N ILE A 54 69.274 12.765 5.604 1.00 1.00 N ATOM 806 CA ILE A 54 70.123 13.694 4.804 1.00 1.00 C ATOM 807 C ILE A 54 70.114 13.231 3.339 1.00 1.00 C ATOM 808 O ILE A 54 70.119 12.048 3.061 1.00 1.00 O ATOM 809 CB ILE A 54 71.560 13.682 5.371 1.00 1.00 C ATOM 810 CG1 ILE A 54 71.841 15.013 6.072 1.00 1.00 C ATOM 811 CG2 ILE A 54 72.559 13.488 4.229 1.00 1.00 C ATOM 812 CD1 ILE A 54 73.112 14.889 6.914 1.00 1.00 C ATOM 0 H ILE A 54 69.783 12.125 6.214 1.00 1.00 H new ATOM 0 HA ILE A 54 69.736 14.711 4.859 1.00 1.00 H new ATOM 0 HB ILE A 54 71.662 12.865 6.085 1.00 1.00 H new ATOM 0 HG12 ILE A 54 71.957 15.807 5.334 1.00 1.00 H new ATOM 0 HG13 ILE A 54 70.998 15.287 6.706 1.00 1.00 H new ATOM 0 HG21 ILE A 54 73.573 13.480 4.630 1.00 1.00 H new ATOM 0 HG22 ILE A 54 72.359 12.541 3.728 1.00 1.00 H new ATOM 0 HG23 ILE A 54 72.458 14.305 3.515 1.00 1.00 H new ATOM 0 HD11 ILE A 54 73.312 15.837 7.413 1.00 1.00 H new ATOM 0 HD12 ILE A 54 72.979 14.107 7.661 1.00 1.00 H new ATOM 0 HD13 ILE A 54 73.953 14.635 6.269 1.00 1.00 H new ATOM 824 N PRO A 55 70.103 14.153 2.408 1.00 1.00 N ATOM 825 CA PRO A 55 70.095 13.818 0.953 1.00 1.00 C ATOM 826 C PRO A 55 71.421 13.196 0.498 1.00 1.00 C ATOM 827 O PRO A 55 72.248 13.848 -0.108 1.00 1.00 O ATOM 828 CB PRO A 55 69.863 15.168 0.265 1.00 1.00 C ATOM 829 CG PRO A 55 70.338 16.192 1.242 1.00 1.00 C ATOM 830 CD PRO A 55 70.102 15.607 2.636 1.00 1.00 C ATOM 0 HA PRO A 55 69.334 13.077 0.710 1.00 1.00 H new ATOM 0 HB2 PRO A 55 70.415 15.232 -0.673 1.00 1.00 H new ATOM 0 HB3 PRO A 55 68.810 15.312 0.025 1.00 1.00 H new ATOM 0 HG2 PRO A 55 71.394 16.414 1.088 1.00 1.00 H new ATOM 0 HG3 PRO A 55 69.794 17.128 1.117 1.00 1.00 H new ATOM 0 HD2 PRO A 55 70.886 15.904 3.333 1.00 1.00 H new ATOM 0 HD3 PRO A 55 69.156 15.946 3.058 1.00 1.00 H new ATOM 838 N GLY A 56 71.627 11.941 0.790 1.00 1.00 N ATOM 839 CA GLY A 56 72.896 11.277 0.377 1.00 1.00 C ATOM 840 C GLY A 56 72.948 9.866 0.965 1.00 1.00 C ATOM 841 O GLY A 56 73.940 9.173 0.852 1.00 1.00 O ATOM 0 H GLY A 56 70.971 11.346 1.297 1.00 1.00 H new ATOM 0 HA2 GLY A 56 72.958 11.232 -0.710 1.00 1.00 H new ATOM 0 HA3 GLY A 56 73.752 11.858 0.721 1.00 1.00 H new ATOM 845 N MET A 57 71.885 9.436 1.593 1.00 1.00 N ATOM 846 CA MET A 57 71.864 8.069 2.193 1.00 1.00 C ATOM 847 C MET A 57 70.543 7.381 1.843 1.00 1.00 C ATOM 848 O MET A 57 70.505 6.200 1.561 1.00 1.00 O ATOM 849 CB MET A 57 71.993 8.180 3.714 1.00 1.00 C ATOM 850 CG MET A 57 73.194 9.061 4.061 1.00 1.00 C ATOM 851 SD MET A 57 74.706 8.300 3.421 1.00 1.00 S ATOM 852 CE MET A 57 75.878 9.229 4.440 1.00 1.00 C ATOM 0 H MET A 57 71.028 9.975 1.717 1.00 1.00 H new ATOM 0 HA MET A 57 72.695 7.484 1.799 1.00 1.00 H new ATOM 0 HB2 MET A 57 71.083 8.605 4.137 1.00 1.00 H new ATOM 0 HB3 MET A 57 72.116 7.190 4.152 1.00 1.00 H new ATOM 0 HG2 MET A 57 73.065 10.055 3.633 1.00 1.00 H new ATOM 0 HG3 MET A 57 73.266 9.186 5.141 1.00 1.00 H new ATOM 0 HE1 MET A 57 76.608 9.721 3.798 1.00 1.00 H new ATOM 0 HE2 MET A 57 75.341 9.979 5.020 1.00 1.00 H new ATOM 0 HE3 MET A 57 76.392 8.547 5.117 1.00 1.00 H new ATOM 862 N GLU A 58 69.460 8.113 1.859 1.00 1.00 N ATOM 863 CA GLU A 58 68.135 7.509 1.525 1.00 1.00 C ATOM 864 C GLU A 58 67.434 8.381 0.480 1.00 1.00 C ATOM 865 O GLU A 58 66.293 8.767 0.641 1.00 1.00 O ATOM 866 CB GLU A 58 67.276 7.432 2.793 1.00 1.00 C ATOM 867 CG GLU A 58 66.209 6.348 2.624 1.00 1.00 C ATOM 868 CD GLU A 58 66.849 4.970 2.797 1.00 1.00 C ATOM 869 OE1 GLU A 58 68.045 4.919 3.036 1.00 1.00 O ATOM 870 OE2 GLU A 58 66.133 3.988 2.688 1.00 1.00 O ATOM 0 H GLU A 58 69.435 9.106 2.090 1.00 1.00 H new ATOM 0 HA GLU A 58 68.278 6.505 1.125 1.00 1.00 H new ATOM 0 HB2 GLU A 58 67.903 7.208 3.656 1.00 1.00 H new ATOM 0 HB3 GLU A 58 66.803 8.396 2.983 1.00 1.00 H new ATOM 0 HG2 GLU A 58 65.415 6.487 3.358 1.00 1.00 H new ATOM 0 HG3 GLU A 58 65.749 6.426 1.639 1.00 1.00 H new ATOM 877 N GLY A 59 68.114 8.696 -0.588 1.00 1.00 N ATOM 878 CA GLY A 59 67.499 9.547 -1.648 1.00 1.00 C ATOM 879 C GLY A 59 68.607 10.294 -2.392 1.00 1.00 C ATOM 880 O GLY A 59 68.530 11.488 -2.609 1.00 1.00 O ATOM 0 H GLY A 59 69.072 8.400 -0.774 1.00 1.00 H new ATOM 0 HA2 GLY A 59 66.929 8.930 -2.343 1.00 1.00 H new ATOM 0 HA3 GLY A 59 66.800 10.256 -1.204 1.00 1.00 H new ATOM 884 N CYS A 60 69.640 9.598 -2.776 1.00 1.00 N ATOM 885 CA CYS A 60 70.765 10.256 -3.498 1.00 1.00 C ATOM 886 C CYS A 60 70.328 10.601 -4.924 1.00 1.00 C ATOM 887 O CYS A 60 69.631 11.570 -5.151 1.00 1.00 O ATOM 888 CB CYS A 60 71.960 9.302 -3.540 1.00 1.00 C ATOM 889 SG CYS A 60 73.254 9.997 -4.598 1.00 1.00 S ATOM 0 H CYS A 60 69.754 8.596 -2.620 1.00 1.00 H new ATOM 0 HA CYS A 60 71.048 11.173 -2.980 1.00 1.00 H new ATOM 0 HB2 CYS A 60 72.346 9.142 -2.533 1.00 1.00 H new ATOM 0 HB3 CYS A 60 71.649 8.329 -3.920 1.00 1.00 H new ATOM 894 N GLY A 61 70.734 9.817 -5.888 1.00 1.00 N ATOM 895 CA GLY A 61 70.345 10.098 -7.304 1.00 1.00 C ATOM 896 C GLY A 61 69.668 8.865 -7.902 1.00 1.00 C ATOM 897 O GLY A 61 68.462 8.815 -8.044 1.00 1.00 O ATOM 0 H GLY A 61 71.319 8.992 -5.757 1.00 1.00 H new ATOM 0 HA2 GLY A 61 69.669 10.952 -7.344 1.00 1.00 H new ATOM 0 HA3 GLY A 61 71.226 10.361 -7.889 1.00 1.00 H new ATOM 901 N THR A 62 70.433 7.869 -8.255 1.00 1.00 N ATOM 902 CA THR A 62 69.833 6.638 -8.846 1.00 1.00 C ATOM 903 C THR A 62 70.663 5.420 -8.438 1.00 1.00 C ATOM 904 O THR A 62 70.245 4.291 -8.602 1.00 1.00 O ATOM 905 CB THR A 62 69.817 6.760 -10.371 1.00 1.00 C ATOM 906 OG1 THR A 62 69.182 5.618 -10.929 1.00 1.00 O ATOM 907 CG2 THR A 62 71.252 6.855 -10.893 1.00 1.00 C ATOM 0 H THR A 62 71.448 7.854 -8.160 1.00 1.00 H new ATOM 0 HA THR A 62 68.813 6.519 -8.482 1.00 1.00 H new ATOM 0 HB THR A 62 69.269 7.657 -10.658 1.00 1.00 H new ATOM 0 HG1 THR A 62 69.240 5.656 -11.907 1.00 1.00 H new ATOM 0 HG21 THR A 62 71.239 6.942 -11.979 1.00 1.00 H new ATOM 0 HG22 THR A 62 71.738 7.732 -10.465 1.00 1.00 H new ATOM 0 HG23 THR A 62 71.803 5.959 -10.607 1.00 1.00 H new ATOM 915 N ASP A 63 71.834 5.637 -7.904 1.00 1.00 N ATOM 916 CA ASP A 63 72.684 4.488 -7.481 1.00 1.00 C ATOM 917 C ASP A 63 72.051 3.821 -6.259 1.00 1.00 C ATOM 918 O ASP A 63 72.650 3.732 -5.206 1.00 1.00 O ATOM 919 CB ASP A 63 74.083 4.994 -7.123 1.00 1.00 C ATOM 920 CG ASP A 63 75.040 3.807 -7.001 1.00 1.00 C ATOM 921 OD1 ASP A 63 74.606 2.767 -6.532 1.00 1.00 O ATOM 922 OD2 ASP A 63 76.190 3.957 -7.379 1.00 1.00 O ATOM 0 H ASP A 63 72.239 6.559 -7.742 1.00 1.00 H new ATOM 0 HA ASP A 63 72.760 3.766 -8.294 1.00 1.00 H new ATOM 0 HB2 ASP A 63 74.438 5.684 -7.888 1.00 1.00 H new ATOM 0 HB3 ASP A 63 74.052 5.547 -6.184 1.00 1.00 H new ATOM 927 N ILE A 64 70.839 3.355 -6.394 1.00 1.00 N ATOM 928 CA ILE A 64 70.149 2.693 -5.251 1.00 1.00 C ATOM 929 C ILE A 64 69.084 1.747 -5.807 1.00 1.00 C ATOM 930 O ILE A 64 68.671 0.807 -5.157 1.00 1.00 O ATOM 931 CB ILE A 64 69.484 3.753 -4.360 1.00 1.00 C ATOM 932 CG1 ILE A 64 70.560 4.658 -3.757 1.00 1.00 C ATOM 933 CG2 ILE A 64 68.711 3.063 -3.235 1.00 1.00 C ATOM 934 CD1 ILE A 64 69.931 5.566 -2.699 1.00 1.00 C ATOM 0 H ILE A 64 70.293 3.405 -7.254 1.00 1.00 H new ATOM 0 HA ILE A 64 70.871 2.135 -4.655 1.00 1.00 H new ATOM 0 HB ILE A 64 68.797 4.351 -4.958 1.00 1.00 H new ATOM 0 HG12 ILE A 64 71.349 4.054 -3.310 1.00 1.00 H new ATOM 0 HG13 ILE A 64 71.024 5.260 -4.539 1.00 1.00 H new ATOM 0 HG21 ILE A 64 68.239 3.815 -2.603 1.00 1.00 H new ATOM 0 HG22 ILE A 64 67.945 2.417 -3.663 1.00 1.00 H new ATOM 0 HG23 ILE A 64 69.397 2.464 -2.636 1.00 1.00 H new ATOM 0 HD11 ILE A 64 70.698 6.210 -2.270 1.00 1.00 H new ATOM 0 HD12 ILE A 64 69.157 6.180 -3.160 1.00 1.00 H new ATOM 0 HD13 ILE A 64 69.488 4.955 -1.912 1.00 1.00 H new ATOM 946 N THR A 65 68.645 1.986 -7.014 1.00 1.00 N ATOM 947 CA THR A 65 67.613 1.103 -7.631 1.00 1.00 C ATOM 948 C THR A 65 68.011 0.804 -9.077 1.00 1.00 C ATOM 949 O THR A 65 67.945 -0.322 -9.529 1.00 1.00 O ATOM 950 CB THR A 65 66.256 1.808 -7.609 1.00 1.00 C ATOM 951 OG1 THR A 65 65.865 2.036 -6.263 1.00 1.00 O ATOM 952 CG2 THR A 65 65.212 0.933 -8.305 1.00 1.00 C ATOM 0 H THR A 65 68.958 2.759 -7.602 1.00 1.00 H new ATOM 0 HA THR A 65 67.543 0.172 -7.069 1.00 1.00 H new ATOM 0 HB THR A 65 66.333 2.761 -8.132 1.00 1.00 H new ATOM 0 HG1 THR A 65 64.996 2.489 -6.247 1.00 1.00 H new ATOM 0 HG21 THR A 65 64.246 1.437 -8.288 1.00 1.00 H new ATOM 0 HG22 THR A 65 65.513 0.759 -9.338 1.00 1.00 H new ATOM 0 HG23 THR A 65 65.132 -0.022 -7.785 1.00 1.00 H new ATOM 960 N VAL A 66 68.430 1.803 -9.804 1.00 1.00 N ATOM 961 CA VAL A 66 68.835 1.575 -11.219 1.00 1.00 C ATOM 962 C VAL A 66 70.252 0.999 -11.257 1.00 1.00 C ATOM 963 O VAL A 66 70.529 0.061 -11.978 1.00 1.00 O ATOM 964 CB VAL A 66 68.808 2.902 -11.982 1.00 1.00 C ATOM 965 CG1 VAL A 66 68.843 2.627 -13.487 1.00 1.00 C ATOM 966 CG2 VAL A 66 67.527 3.663 -11.633 1.00 1.00 C ATOM 0 H VAL A 66 68.509 2.767 -9.479 1.00 1.00 H new ATOM 0 HA VAL A 66 68.142 0.874 -11.684 1.00 1.00 H new ATOM 0 HB VAL A 66 69.675 3.500 -11.702 1.00 1.00 H new ATOM 0 HG11 VAL A 66 68.824 3.572 -14.030 1.00 1.00 H new ATOM 0 HG12 VAL A 66 69.754 2.084 -13.736 1.00 1.00 H new ATOM 0 HG13 VAL A 66 67.976 2.029 -13.768 1.00 1.00 H new ATOM 0 HG21 VAL A 66 67.506 4.608 -12.175 1.00 1.00 H new ATOM 0 HG22 VAL A 66 66.660 3.064 -11.913 1.00 1.00 H new ATOM 0 HG23 VAL A 66 67.501 3.859 -10.561 1.00 1.00 H new ATOM 976 N ILE A 67 71.154 1.557 -10.489 1.00 1.00 N ATOM 977 CA ILE A 67 72.558 1.045 -10.484 1.00 1.00 C ATOM 978 C ILE A 67 72.990 0.712 -9.053 1.00 1.00 C ATOM 979 O ILE A 67 73.508 1.548 -8.340 1.00 1.00 O ATOM 980 CB ILE A 67 73.493 2.111 -11.055 1.00 1.00 C ATOM 981 CG1 ILE A 67 72.902 2.663 -12.354 1.00 1.00 C ATOM 982 CG2 ILE A 67 74.861 1.490 -11.342 1.00 1.00 C ATOM 983 CD1 ILE A 67 73.852 3.707 -12.944 1.00 1.00 C ATOM 0 H ILE A 67 70.979 2.345 -9.865 1.00 1.00 H new ATOM 0 HA ILE A 67 72.608 0.144 -11.095 1.00 1.00 H new ATOM 0 HB ILE A 67 73.606 2.920 -10.333 1.00 1.00 H new ATOM 0 HG12 ILE A 67 72.746 1.854 -13.067 1.00 1.00 H new ATOM 0 HG13 ILE A 67 71.927 3.111 -12.161 1.00 1.00 H new ATOM 0 HG21 ILE A 67 75.528 2.250 -11.749 1.00 1.00 H new ATOM 0 HG22 ILE A 67 75.283 1.095 -10.418 1.00 1.00 H new ATOM 0 HG23 ILE A 67 74.749 0.681 -12.064 1.00 1.00 H new ATOM 0 HD11 ILE A 67 73.431 4.100 -13.869 1.00 1.00 H new ATOM 0 HD12 ILE A 67 73.986 4.521 -12.232 1.00 1.00 H new ATOM 0 HD13 ILE A 67 74.817 3.245 -13.152 1.00 1.00 H new ATOM 995 N CYS A 68 72.791 -0.510 -8.638 1.00 1.00 N ATOM 996 CA CYS A 68 73.198 -0.924 -7.264 1.00 1.00 C ATOM 997 C CYS A 68 74.365 -1.912 -7.368 1.00 1.00 C ATOM 998 O CYS A 68 74.580 -2.518 -8.399 1.00 1.00 O ATOM 999 CB CYS A 68 72.008 -1.592 -6.567 1.00 1.00 C ATOM 1000 SG CYS A 68 71.066 -0.344 -5.655 1.00 1.00 S ATOM 0 H CYS A 68 72.360 -1.246 -9.197 1.00 1.00 H new ATOM 0 HA CYS A 68 73.510 -0.054 -6.686 1.00 1.00 H new ATOM 0 HB2 CYS A 68 71.369 -2.080 -7.303 1.00 1.00 H new ATOM 0 HB3 CYS A 68 72.360 -2.367 -5.886 1.00 1.00 H new ATOM 1005 N PRO A 69 75.124 -2.067 -6.315 1.00 1.00 N ATOM 1006 CA PRO A 69 76.295 -2.981 -6.285 1.00 1.00 C ATOM 1007 C PRO A 69 76.130 -4.212 -7.187 1.00 1.00 C ATOM 1008 O PRO A 69 77.085 -4.695 -7.762 1.00 1.00 O ATOM 1009 CB PRO A 69 76.364 -3.379 -4.815 1.00 1.00 C ATOM 1010 CG PRO A 69 75.883 -2.173 -4.072 1.00 1.00 C ATOM 1011 CD PRO A 69 74.953 -1.396 -5.016 1.00 1.00 C ATOM 0 HA PRO A 69 77.199 -2.505 -6.664 1.00 1.00 H new ATOM 0 HB2 PRO A 69 75.737 -4.247 -4.610 1.00 1.00 H new ATOM 0 HB3 PRO A 69 77.380 -3.644 -4.524 1.00 1.00 H new ATOM 0 HG2 PRO A 69 75.353 -2.466 -3.166 1.00 1.00 H new ATOM 0 HG3 PRO A 69 76.723 -1.551 -3.763 1.00 1.00 H new ATOM 0 HD2 PRO A 69 73.917 -1.437 -4.679 1.00 1.00 H new ATOM 0 HD3 PRO A 69 75.229 -0.343 -5.071 1.00 1.00 H new ATOM 1019 N TRP A 70 74.937 -4.727 -7.321 1.00 1.00 N ATOM 1020 CA TRP A 70 74.749 -5.923 -8.194 1.00 1.00 C ATOM 1021 C TRP A 70 74.667 -5.485 -9.657 1.00 1.00 C ATOM 1022 O TRP A 70 74.073 -6.151 -10.481 1.00 1.00 O ATOM 1023 CB TRP A 70 73.473 -6.677 -7.802 1.00 1.00 C ATOM 1024 CG TRP A 70 72.360 -5.703 -7.584 1.00 1.00 C ATOM 1025 CD1 TRP A 70 71.768 -4.971 -8.555 1.00 1.00 C ATOM 1026 CD2 TRP A 70 71.695 -5.344 -6.337 1.00 1.00 C ATOM 1027 NE1 TRP A 70 70.783 -4.184 -7.986 1.00 1.00 N ATOM 1028 CE2 TRP A 70 70.699 -4.378 -6.621 1.00 1.00 C ATOM 1029 CE3 TRP A 70 71.858 -5.756 -5.004 1.00 1.00 C ATOM 1030 CZ2 TRP A 70 69.893 -3.841 -5.614 1.00 1.00 C ATOM 1031 CZ3 TRP A 70 71.050 -5.220 -3.990 1.00 1.00 C ATOM 1032 CH2 TRP A 70 70.070 -4.265 -4.293 1.00 1.00 C ATOM 0 H TRP A 70 74.092 -4.376 -6.869 1.00 1.00 H new ATOM 0 HA TRP A 70 75.601 -6.591 -8.064 1.00 1.00 H new ATOM 0 HB2 TRP A 70 73.202 -7.385 -8.585 1.00 1.00 H new ATOM 0 HB3 TRP A 70 73.645 -7.256 -6.895 1.00 1.00 H new ATOM 0 HD1 TRP A 70 72.023 -4.997 -9.604 1.00 1.00 H new ATOM 0 HE1 TRP A 70 70.191 -3.539 -8.510 1.00 1.00 H new ATOM 0 HE3 TRP A 70 72.611 -6.491 -4.758 1.00 1.00 H new ATOM 0 HZ2 TRP A 70 69.140 -3.105 -5.854 1.00 1.00 H new ATOM 0 HZ3 TRP A 70 71.184 -5.546 -2.969 1.00 1.00 H new ATOM 0 HH2 TRP A 70 69.452 -3.857 -3.507 1.00 1.00 H new ATOM 1043 N GLU A 71 75.267 -4.372 -9.986 1.00 1.00 N ATOM 1044 CA GLU A 71 75.234 -3.886 -11.398 1.00 1.00 C ATOM 1045 C GLU A 71 76.571 -3.218 -11.734 1.00 1.00 C ATOM 1046 O GLU A 71 77.339 -3.711 -12.536 1.00 1.00 O ATOM 1047 CB GLU A 71 74.099 -2.862 -11.563 1.00 1.00 C ATOM 1048 CG GLU A 71 72.787 -3.588 -11.869 1.00 1.00 C ATOM 1049 CD GLU A 71 72.388 -3.330 -13.323 1.00 1.00 C ATOM 1050 OE1 GLU A 71 73.223 -3.525 -14.190 1.00 1.00 O ATOM 1051 OE2 GLU A 71 71.252 -2.941 -13.545 1.00 1.00 O ATOM 0 H GLU A 71 75.780 -3.776 -9.336 1.00 1.00 H new ATOM 0 HA GLU A 71 75.064 -4.728 -12.069 1.00 1.00 H new ATOM 0 HB2 GLU A 71 73.995 -2.271 -10.653 1.00 1.00 H new ATOM 0 HB3 GLU A 71 74.338 -2.167 -12.369 1.00 1.00 H new ATOM 0 HG2 GLU A 71 72.903 -4.658 -11.697 1.00 1.00 H new ATOM 0 HG3 GLU A 71 72.002 -3.240 -11.198 1.00 1.00 H new ATOM 1058 N ALA A 72 76.848 -2.093 -11.132 1.00 1.00 N ATOM 1059 CA ALA A 72 78.128 -1.383 -11.420 1.00 1.00 C ATOM 1060 C ALA A 72 79.290 -2.063 -10.688 1.00 1.00 C ATOM 1061 O ALA A 72 80.269 -2.454 -11.293 1.00 1.00 O ATOM 1062 CB ALA A 72 78.017 0.070 -10.955 1.00 1.00 C ATOM 0 H ALA A 72 76.242 -1.634 -10.452 1.00 1.00 H new ATOM 0 HA ALA A 72 78.318 -1.416 -12.493 1.00 1.00 H new ATOM 0 HB1 ALA A 72 78.951 0.591 -11.164 1.00 1.00 H new ATOM 0 HB2 ALA A 72 77.201 0.561 -11.486 1.00 1.00 H new ATOM 0 HB3 ALA A 72 77.820 0.095 -9.883 1.00 1.00 H new ATOM 1068 N CYS A 73 79.200 -2.198 -9.392 1.00 1.00 N ATOM 1069 CA CYS A 73 80.312 -2.839 -8.634 1.00 1.00 C ATOM 1070 C CYS A 73 80.368 -4.334 -8.962 1.00 1.00 C ATOM 1071 O CYS A 73 80.868 -5.129 -8.190 1.00 1.00 O ATOM 1072 CB CYS A 73 80.085 -2.650 -7.132 1.00 1.00 C ATOM 1073 SG CYS A 73 81.663 -2.805 -6.259 1.00 1.00 S ATOM 0 H CYS A 73 78.407 -1.893 -8.827 1.00 1.00 H new ATOM 0 HA CYS A 73 81.256 -2.374 -8.919 1.00 1.00 H new ATOM 0 HB2 CYS A 73 79.646 -1.671 -6.940 1.00 1.00 H new ATOM 0 HB3 CYS A 73 79.379 -3.394 -6.764 1.00 1.00 H new ATOM 1078 N ASN A 74 79.864 -4.721 -10.105 1.00 1.00 N ATOM 1079 CA ASN A 74 79.889 -6.162 -10.500 1.00 1.00 C ATOM 1080 C ASN A 74 79.582 -7.049 -9.290 1.00 1.00 C ATOM 1081 O ASN A 74 80.322 -7.961 -8.977 1.00 1.00 O ATOM 1082 CB ASN A 74 81.270 -6.519 -11.058 1.00 1.00 C ATOM 1083 CG ASN A 74 82.328 -6.326 -9.970 1.00 1.00 C ATOM 1084 OD1 ASN A 74 82.942 -5.179 -9.870 1.00 1.00 O flip ATOM 1085 ND2 ASN A 74 82.598 -7.228 -9.202 1.00 1.00 N flip ATOM 0 H ASN A 74 79.433 -4.097 -10.787 1.00 1.00 H new ATOM 0 HA ASN A 74 79.131 -6.330 -11.265 1.00 1.00 H new ATOM 0 HB2 ASN A 74 81.277 -7.552 -11.407 1.00 1.00 H new ATOM 0 HB3 ASN A 74 81.500 -5.890 -11.918 1.00 1.00 H new ATOM 0 HD21 ASN A 74 82.118 -8.125 -9.280 1.00 1.00 H new ATOM 0 HD22 ASN A 74 83.304 -7.088 -8.480 1.00 1.00 H new ATOM 1092 N HIS A 75 78.490 -6.793 -8.620 1.00 1.00 N ATOM 1093 CA HIS A 75 78.112 -7.619 -7.432 1.00 1.00 C ATOM 1094 C HIS A 75 79.349 -7.938 -6.588 1.00 1.00 C ATOM 1095 O HIS A 75 80.404 -7.361 -6.765 1.00 1.00 O ATOM 1096 CB HIS A 75 77.464 -8.927 -7.902 1.00 1.00 C ATOM 1097 CG HIS A 75 78.283 -9.523 -9.014 1.00 1.00 C ATOM 1098 ND1 HIS A 75 78.128 -9.135 -10.336 1.00 1.00 N ATOM 1099 CD2 HIS A 75 79.270 -10.480 -9.016 1.00 1.00 C ATOM 1100 CE1 HIS A 75 78.998 -9.848 -11.074 1.00 1.00 C ATOM 1101 NE2 HIS A 75 79.716 -10.680 -10.318 1.00 1.00 N ATOM 0 H HIS A 75 77.838 -6.042 -8.845 1.00 1.00 H new ATOM 0 HA HIS A 75 77.405 -7.055 -6.823 1.00 1.00 H new ATOM 0 HB2 HIS A 75 77.394 -9.629 -7.071 1.00 1.00 H new ATOM 0 HB3 HIS A 75 76.447 -8.738 -8.246 1.00 1.00 H new ATOM 0 HD2 HIS A 75 79.641 -10.996 -8.143 1.00 1.00 H new ATOM 0 HE1 HIS A 75 79.102 -9.758 -12.145 1.00 1.00 H new ATOM 0 HE2 HIS A 75 80.440 -11.327 -10.630 1.00 1.00 H new ATOM 1110 N CYS A 76 79.220 -8.852 -5.664 1.00 1.00 N ATOM 1111 CA CYS A 76 80.378 -9.215 -4.798 1.00 1.00 C ATOM 1112 C CYS A 76 80.249 -10.678 -4.365 1.00 1.00 C ATOM 1113 O CYS A 76 80.351 -10.999 -3.198 1.00 1.00 O ATOM 1114 CB CYS A 76 80.391 -8.317 -3.559 1.00 1.00 C ATOM 1115 SG CYS A 76 79.908 -6.636 -4.026 1.00 1.00 S ATOM 0 H CYS A 76 78.359 -9.364 -5.471 1.00 1.00 H new ATOM 0 HA CYS A 76 81.305 -9.079 -5.354 1.00 1.00 H new ATOM 0 HB2 CYS A 76 79.706 -8.708 -2.807 1.00 1.00 H new ATOM 0 HB3 CYS A 76 81.385 -8.310 -3.112 1.00 1.00 H new ATOM 1120 N GLU A 77 80.023 -11.568 -5.293 1.00 1.00 N ATOM 1121 CA GLU A 77 79.884 -13.006 -4.928 1.00 1.00 C ATOM 1122 C GLU A 77 81.084 -13.437 -4.082 1.00 1.00 C ATOM 1123 O GLU A 77 81.108 -14.518 -3.526 1.00 1.00 O ATOM 1124 CB GLU A 77 79.825 -13.854 -6.200 1.00 1.00 C ATOM 1125 CG GLU A 77 78.495 -13.611 -6.915 1.00 1.00 C ATOM 1126 CD GLU A 77 78.555 -14.205 -8.324 1.00 1.00 C ATOM 1127 OE1 GLU A 77 79.579 -14.047 -8.968 1.00 1.00 O ATOM 1128 OE2 GLU A 77 77.577 -14.807 -8.734 1.00 1.00 O ATOM 0 H GLU A 77 79.929 -11.361 -6.287 1.00 1.00 H new ATOM 0 HA GLU A 77 78.967 -13.147 -4.356 1.00 1.00 H new ATOM 0 HB2 GLU A 77 80.656 -13.599 -6.858 1.00 1.00 H new ATOM 0 HB3 GLU A 77 79.928 -14.910 -5.951 1.00 1.00 H new ATOM 0 HG2 GLU A 77 77.679 -14.065 -6.352 1.00 1.00 H new ATOM 0 HG3 GLU A 77 78.289 -12.542 -6.968 1.00 1.00 H new ATOM 1135 N LEU A 78 82.080 -12.601 -3.978 1.00 1.00 N ATOM 1136 CA LEU A 78 83.277 -12.963 -3.166 1.00 1.00 C ATOM 1137 C LEU A 78 82.823 -13.481 -1.799 1.00 1.00 C ATOM 1138 O LEU A 78 81.660 -13.412 -1.453 1.00 1.00 O ATOM 1139 CB LEU A 78 84.161 -11.725 -2.976 1.00 1.00 C ATOM 1140 CG LEU A 78 85.001 -11.495 -4.234 1.00 1.00 C ATOM 1141 CD1 LEU A 78 86.028 -12.620 -4.376 1.00 1.00 C ATOM 1142 CD2 LEU A 78 84.087 -11.483 -5.461 1.00 1.00 C ATOM 0 H LEU A 78 82.117 -11.683 -4.420 1.00 1.00 H new ATOM 0 HA LEU A 78 83.846 -13.738 -3.680 1.00 1.00 H new ATOM 0 HB2 LEU A 78 83.541 -10.851 -2.776 1.00 1.00 H new ATOM 0 HB3 LEU A 78 84.812 -11.860 -2.112 1.00 1.00 H new ATOM 0 HG LEU A 78 85.518 -10.539 -4.155 1.00 1.00 H new ATOM 0 HD11 LEU A 78 86.626 -12.456 -5.272 1.00 1.00 H new ATOM 0 HD12 LEU A 78 86.679 -12.631 -3.502 1.00 1.00 H new ATOM 0 HD13 LEU A 78 85.511 -13.577 -4.455 1.00 1.00 H new ATOM 0 HD21 LEU A 78 84.684 -11.319 -6.358 1.00 1.00 H new ATOM 0 HD22 LEU A 78 83.570 -12.439 -5.539 1.00 1.00 H new ATOM 0 HD23 LEU A 78 83.355 -10.682 -5.361 1.00 1.00 H new ATOM 1154 N HIS A 79 83.732 -14.001 -1.017 1.00 1.00 N ATOM 1155 CA HIS A 79 83.350 -14.525 0.326 1.00 1.00 C ATOM 1156 C HIS A 79 84.568 -14.490 1.254 1.00 1.00 C ATOM 1157 O HIS A 79 84.457 -14.689 2.447 1.00 1.00 O ATOM 1158 CB HIS A 79 82.854 -15.970 0.187 1.00 1.00 C ATOM 1159 CG HIS A 79 81.377 -15.969 -0.097 1.00 1.00 C ATOM 1160 ND1 HIS A 79 80.465 -15.340 0.737 1.00 1.00 N ATOM 1161 CD2 HIS A 79 80.638 -16.516 -1.118 1.00 1.00 C ATOM 1162 CE1 HIS A 79 79.240 -15.520 0.211 1.00 1.00 C ATOM 1163 NE2 HIS A 79 79.291 -16.229 -0.918 1.00 1.00 N ATOM 0 H HIS A 79 84.721 -14.085 -1.250 1.00 1.00 H new ATOM 0 HA HIS A 79 82.557 -13.906 0.746 1.00 1.00 H new ATOM 0 HB2 HIS A 79 83.389 -16.474 -0.618 1.00 1.00 H new ATOM 0 HB3 HIS A 79 83.059 -16.525 1.102 1.00 1.00 H new ATOM 0 HD2 HIS A 79 81.040 -17.081 -1.946 1.00 1.00 H new ATOM 0 HE1 HIS A 79 78.329 -15.138 0.648 1.00 1.00 H new ATOM 0 HE2 HIS A 79 78.507 -16.503 -1.510 1.00 1.00 H new ATOM 1172 N GLU A 80 85.730 -14.240 0.716 1.00 1.00 N ATOM 1173 CA GLU A 80 86.952 -14.194 1.568 1.00 1.00 C ATOM 1174 C GLU A 80 86.898 -12.957 2.464 1.00 1.00 C ATOM 1175 O GLU A 80 86.782 -13.056 3.670 1.00 1.00 O ATOM 1176 CB GLU A 80 88.192 -14.121 0.673 1.00 1.00 C ATOM 1177 CG GLU A 80 88.192 -15.304 -0.298 1.00 1.00 C ATOM 1178 CD GLU A 80 89.566 -15.423 -0.959 1.00 1.00 C ATOM 1179 OE1 GLU A 80 90.463 -15.953 -0.324 1.00 1.00 O ATOM 1180 OE2 GLU A 80 89.699 -14.981 -2.088 1.00 1.00 O ATOM 0 H GLU A 80 85.886 -14.066 -0.277 1.00 1.00 H new ATOM 0 HA GLU A 80 87.001 -15.090 2.186 1.00 1.00 H new ATOM 0 HB2 GLU A 80 88.199 -13.182 0.119 1.00 1.00 H new ATOM 0 HB3 GLU A 80 89.095 -14.138 1.283 1.00 1.00 H new ATOM 0 HG2 GLU A 80 87.952 -16.225 0.234 1.00 1.00 H new ATOM 0 HG3 GLU A 80 87.422 -15.165 -1.057 1.00 1.00 H new ATOM 1187 N LEU A 81 86.977 -11.792 1.885 1.00 1.00 N ATOM 1188 CA LEU A 81 86.928 -10.550 2.703 1.00 1.00 C ATOM 1189 C LEU A 81 85.493 -10.313 3.180 1.00 1.00 C ATOM 1190 O LEU A 81 85.263 -9.866 4.286 1.00 1.00 O ATOM 1191 CB LEU A 81 87.393 -9.362 1.854 1.00 1.00 C ATOM 1192 CG LEU A 81 86.552 -9.276 0.579 1.00 1.00 C ATOM 1193 CD1 LEU A 81 85.491 -8.186 0.739 1.00 1.00 C ATOM 1194 CD2 LEU A 81 87.458 -8.935 -0.606 1.00 1.00 C ATOM 0 H LEU A 81 87.073 -11.647 0.880 1.00 1.00 H new ATOM 0 HA LEU A 81 87.584 -10.654 3.567 1.00 1.00 H new ATOM 0 HB2 LEU A 81 87.301 -8.438 2.424 1.00 1.00 H new ATOM 0 HB3 LEU A 81 88.447 -9.476 1.599 1.00 1.00 H new ATOM 0 HG LEU A 81 86.064 -10.234 0.401 1.00 1.00 H new ATOM 0 HD11 LEU A 81 84.892 -8.125 -0.170 1.00 1.00 H new ATOM 0 HD12 LEU A 81 84.846 -8.428 1.584 1.00 1.00 H new ATOM 0 HD13 LEU A 81 85.978 -7.227 0.917 1.00 1.00 H new ATOM 0 HD21 LEU A 81 86.860 -8.873 -1.515 1.00 1.00 H new ATOM 0 HD22 LEU A 81 87.946 -7.977 -0.427 1.00 1.00 H new ATOM 0 HD23 LEU A 81 88.214 -9.711 -0.721 1.00 1.00 H new ATOM 1206 N ALA A 82 84.527 -10.613 2.354 1.00 1.00 N ATOM 1207 CA ALA A 82 83.106 -10.410 2.758 1.00 1.00 C ATOM 1208 C ALA A 82 82.745 -11.402 3.867 1.00 1.00 C ATOM 1209 O ALA A 82 81.908 -12.265 3.691 1.00 1.00 O ATOM 1210 CB ALA A 82 82.196 -10.641 1.549 1.00 1.00 C ATOM 0 H ALA A 82 84.661 -10.990 1.416 1.00 1.00 H new ATOM 0 HA ALA A 82 82.972 -9.392 3.124 1.00 1.00 H new ATOM 0 HB1 ALA A 82 81.157 -10.493 1.842 1.00 1.00 H new ATOM 0 HB2 ALA A 82 82.454 -9.935 0.759 1.00 1.00 H new ATOM 0 HB3 ALA A 82 82.328 -11.659 1.183 1.00 1.00 H new ATOM 1216 N GLN A 83 83.370 -11.287 5.007 1.00 1.00 N ATOM 1217 CA GLN A 83 83.061 -12.226 6.124 1.00 1.00 C ATOM 1218 C GLN A 83 83.403 -11.560 7.458 1.00 1.00 C ATOM 1219 O GLN A 83 83.669 -12.219 8.442 1.00 1.00 O ATOM 1220 CB GLN A 83 83.890 -13.505 5.958 1.00 1.00 C ATOM 1221 CG GLN A 83 83.246 -14.641 6.755 1.00 1.00 C ATOM 1222 CD GLN A 83 82.064 -15.211 5.969 1.00 1.00 C ATOM 1223 OE1 GLN A 83 81.516 -14.494 5.026 1.00 1.00 O flip ATOM 1224 NE2 GLN A 83 81.634 -16.320 6.215 1.00 1.00 N flip ATOM 0 H GLN A 83 84.080 -10.585 5.214 1.00 1.00 H new ATOM 0 HA GLN A 83 82.001 -12.478 6.108 1.00 1.00 H new ATOM 0 HB2 GLN A 83 83.952 -13.776 4.904 1.00 1.00 H new ATOM 0 HB3 GLN A 83 84.910 -13.337 6.304 1.00 1.00 H new ATOM 0 HG2 GLN A 83 83.979 -15.424 6.949 1.00 1.00 H new ATOM 0 HG3 GLN A 83 82.908 -14.273 7.724 1.00 1.00 H new ATOM 0 HE21 GLN A 83 82.062 -16.881 6.952 1.00 1.00 H new ATOM 0 HE22 GLN A 83 80.845 -16.690 5.685 1.00 1.00 H new ATOM 1233 N TYR A 84 83.394 -10.255 7.497 1.00 1.00 N ATOM 1234 CA TYR A 84 83.712 -9.534 8.766 1.00 1.00 C ATOM 1235 C TYR A 84 82.410 -9.065 9.418 1.00 1.00 C ATOM 1236 O TYR A 84 82.211 -9.205 10.608 1.00 1.00 O ATOM 1237 CB TYR A 84 84.592 -8.318 8.450 1.00 1.00 C ATOM 1238 CG TYR A 84 86.046 -8.721 8.503 1.00 1.00 C ATOM 1239 CD1 TYR A 84 86.697 -8.833 9.737 1.00 1.00 C ATOM 1240 CD2 TYR A 84 86.743 -8.984 7.318 1.00 1.00 C ATOM 1241 CE1 TYR A 84 88.045 -9.207 9.786 1.00 1.00 C ATOM 1242 CE2 TYR A 84 88.091 -9.358 7.367 1.00 1.00 C ATOM 1243 CZ TYR A 84 88.742 -9.470 8.601 1.00 1.00 C ATOM 1244 OH TYR A 84 90.071 -9.838 8.649 1.00 1.00 O ATOM 0 H TYR A 84 83.179 -9.653 6.702 1.00 1.00 H new ATOM 0 HA TYR A 84 84.242 -10.201 9.446 1.00 1.00 H new ATOM 0 HB2 TYR A 84 84.348 -7.926 7.463 1.00 1.00 H new ATOM 0 HB3 TYR A 84 84.399 -7.520 9.167 1.00 1.00 H new ATOM 0 HD1 TYR A 84 86.159 -8.631 10.651 1.00 1.00 H new ATOM 0 HD2 TYR A 84 86.241 -8.898 6.366 1.00 1.00 H new ATOM 0 HE1 TYR A 84 88.547 -9.293 10.738 1.00 1.00 H new ATOM 0 HE2 TYR A 84 88.629 -9.560 6.453 1.00 1.00 H new ATOM 0 HH TYR A 84 90.403 -9.984 7.739 1.00 1.00 H new ATOM 1254 N GLY A 85 81.526 -8.506 8.641 1.00 1.00 N ATOM 1255 CA GLY A 85 80.234 -8.020 9.200 1.00 1.00 C ATOM 1256 C GLY A 85 79.295 -7.664 8.049 1.00 1.00 C ATOM 1257 O GLY A 85 78.133 -8.015 8.053 1.00 1.00 O ATOM 0 H GLY A 85 81.643 -8.364 7.638 1.00 1.00 H new ATOM 0 HA2 GLY A 85 79.784 -8.788 9.829 1.00 1.00 H new ATOM 0 HA3 GLY A 85 80.402 -7.148 9.832 1.00 1.00 H new ATOM 1261 N ILE A 86 79.792 -6.971 7.058 1.00 1.00 N ATOM 1262 CA ILE A 86 78.924 -6.601 5.904 1.00 1.00 C ATOM 1263 C ILE A 86 78.317 -7.881 5.313 1.00 1.00 C ATOM 1264 O ILE A 86 77.460 -8.499 5.911 1.00 1.00 O ATOM 1265 CB ILE A 86 79.743 -5.843 4.834 1.00 1.00 C ATOM 1266 CG1 ILE A 86 81.226 -6.183 4.994 1.00 1.00 C ATOM 1267 CG2 ILE A 86 79.545 -4.336 5.011 1.00 1.00 C ATOM 1268 CD1 ILE A 86 81.444 -7.669 4.704 1.00 1.00 C ATOM 0 H ILE A 86 80.757 -6.647 6.999 1.00 1.00 H new ATOM 0 HA ILE A 86 78.125 -5.941 6.242 1.00 1.00 H new ATOM 0 HB ILE A 86 79.405 -6.139 3.841 1.00 1.00 H new ATOM 0 HG12 ILE A 86 81.824 -5.577 4.313 1.00 1.00 H new ATOM 0 HG13 ILE A 86 81.557 -5.947 6.005 1.00 1.00 H new ATOM 0 HG21 ILE A 86 80.123 -3.802 4.256 1.00 1.00 H new ATOM 0 HG22 ILE A 86 78.489 -4.092 4.899 1.00 1.00 H new ATOM 0 HG23 ILE A 86 79.883 -4.039 6.004 1.00 1.00 H new ATOM 0 HD11 ILE A 86 82.501 -7.911 4.818 1.00 1.00 H new ATOM 0 HD12 ILE A 86 80.858 -8.266 5.403 1.00 1.00 H new ATOM 0 HD13 ILE A 86 81.129 -7.891 3.684 1.00 1.00 H new ATOM 1280 N CYS A 87 78.748 -8.291 4.154 1.00 1.00 N ATOM 1281 CA CYS A 87 78.182 -9.532 3.554 1.00 1.00 C ATOM 1282 C CYS A 87 78.795 -10.754 4.244 1.00 1.00 C ATOM 1283 CB CYS A 87 78.507 -9.568 2.058 1.00 1.00 C ATOM 1284 SG CYS A 87 77.116 -8.884 1.123 1.00 1.00 S ATOM 0 H CYS A 87 79.464 -7.824 3.598 1.00 1.00 H new ATOM 0 HA CYS A 87 77.100 -9.544 3.689 1.00 1.00 H new ATOM 0 HB2 CYS A 87 79.412 -8.994 1.857 1.00 1.00 H new ATOM 0 HB3 CYS A 87 78.703 -10.593 1.742 1.00 1.00 H new TER 1289 CYS A 87 HETATM 1290 C1C RCY A 110 60.459 -11.522 5.776 1.00 1.00 C HETATM 1291 O1G RCY A 110 56.637 -12.131 4.224 1.00 1.00 O HETATM 1292 O1H RCY A 110 57.994 -7.654 4.873 1.00 1.00 O HETATM 1293 O1J RCY A 110 62.928 -11.013 4.129 1.00 1.00 O HETATM 1294 C1L RCY A 110 55.505 -10.148 5.105 1.00 1.00 C HETATM 1295 C1M RCY A 110 59.676 -9.491 2.784 1.00 1.00 C HETATM 1296 C1P RCY A 110 56.688 -10.942 4.537 1.00 1.00 C HETATM 1297 C1Q RCY A 110 57.480 -8.761 5.030 1.00 1.00 C HETATM 1298 N1R RCY A 110 57.938 -10.073 4.408 1.00 1.00 N HETATM 1299 C1S RCY A 110 56.264 -9.069 5.885 1.00 1.00 C HETATM 1300 C1U RCY A 110 59.303 -10.421 3.811 1.00 1.00 C HETATM 1301 C1V RCY A 110 60.405 -8.994 5.589 1.00 1.00 C HETATM 1302 N1V RCY A 110 61.642 -10.364 3.896 1.00 1.00 N HETATM 1303 C1W RCY A 110 61.203 -9.576 2.663 1.00 1.00 C HETATM 1304 C1X RCY A 110 60.439 -10.321 4.828 1.00 1.00 C HETATM 1305 C1Y RCY A 110 61.823 -8.176 2.673 1.00 1.00 C HETATM 1306 C1Z RCY A 110 61.619 -10.341 1.407 1.00 1.00 C HETATM 0 H1ZB RCY A 110 61.218 -11.354 1.448 1.00 1.00 H new HETATM 0 H1ZA RCY A 110 61.229 -9.832 0.525 1.00 1.00 H new HETATM 0 H1YB RCY A 110 61.434 -7.600 1.833 1.00 1.00 H new HETATM 0 H1YA RCY A 110 61.570 -7.673 3.606 1.00 1.00 H new HETATM 0 H1VB RCY A 110 59.510 -8.953 6.210 1.00 1.00 H new HETATM 0 H1VA RCY A 110 61.289 -8.915 6.221 1.00 1.00 H new HETATM 0 H1MA RCY A 110 59.196 -9.743 1.838 1.00 1.00 H new HETATM 0 H1LA RCY A 110 54.870 -9.730 4.324 1.00 1.00 H new HETATM 0 H1CB RCY A 110 59.516 -11.572 6.320 1.00 1.00 H new HETATM 0 H1CA RCY A 110 60.595 -12.438 5.200 1.00 1.00 H new HETATM 0 H1Z RCY A 110 62.707 -10.384 1.350 1.00 1.00 H new HETATM 0 H1Y RCY A 110 62.907 -8.257 2.586 1.00 1.00 H new HETATM 0 H1V RCY A 110 60.392 -8.167 4.879 1.00 1.00 H new HETATM 0 H1U RCY A 110 59.183 -11.440 3.443 1.00 1.00 H new HETATM 0 H1S RCY A 110 56.554 -9.425 6.873 1.00 1.00 H new HETATM 0 H1M RCY A 110 59.362 -8.480 3.042 1.00 1.00 H new HETATM 0 H1L RCY A 110 54.865 -10.754 5.746 1.00 1.00 H new HETATM 0 H1C RCY A 110 61.281 -11.413 6.484 1.00 1.00 H new HETATM 1309 C1C RCY A 121 62.463 -10.905 -4.600 1.00 1.00 C HETATM 1310 O1G RCY A 121 63.119 -11.210 -7.263 1.00 1.00 O HETATM 1311 O1H RCY A 121 64.581 -6.723 -7.433 1.00 1.00 O HETATM 1312 O1J RCY A 121 60.434 -9.579 -2.814 1.00 1.00 O HETATM 1313 C1L RCY A 121 64.509 -9.960 -8.842 1.00 1.00 C HETATM 1314 C1M RCY A 121 61.894 -7.389 -5.603 1.00 1.00 C HETATM 1315 C1P RCY A 121 63.621 -10.140 -7.604 1.00 1.00 C HETATM 1316 C1Q RCY A 121 64.160 -7.835 -7.751 1.00 1.00 C HETATM 1317 N1R RCY A 121 63.438 -8.826 -6.848 1.00 1.00 N HETATM 1318 C1S RCY A 121 64.267 -8.473 -9.124 1.00 1.00 C HETATM 1319 C1U RCY A 121 62.717 -8.562 -5.524 1.00 1.00 C HETATM 1320 C1V RCY A 121 60.810 -10.029 -6.311 1.00 1.00 C HETATM 1321 N1V RCY A 121 60.957 -8.984 -4.040 1.00 1.00 N HETATM 1322 C1W RCY A 121 60.842 -7.531 -4.496 1.00 1.00 C HETATM 1323 C1X RCY A 121 61.739 -9.674 -5.149 1.00 1.00 C HETATM 1324 C1Y RCY A 121 59.440 -7.253 -5.048 1.00 1.00 C HETATM 1325 C1Z RCY A 121 61.149 -6.609 -3.316 1.00 1.00 C HETATM 0 H1ZB RCY A 121 62.125 -6.862 -2.901 1.00 1.00 H new HETATM 0 H1ZA RCY A 121 61.156 -5.573 -3.656 1.00 1.00 H new HETATM 0 H1YB RCY A 121 59.400 -6.239 -5.446 1.00 1.00 H new HETATM 0 H1YA RCY A 121 59.215 -7.964 -5.843 1.00 1.00 H new HETATM 0 H1VB RCY A 121 61.392 -10.471 -7.120 1.00 1.00 H new HETATM 0 H1VA RCY A 121 60.059 -10.743 -5.972 1.00 1.00 H new HETATM 0 H1MA RCY A 121 62.488 -6.486 -5.462 1.00 1.00 H new HETATM 0 H1LA RCY A 121 65.557 -10.181 -8.640 1.00 1.00 H new HETATM 0 H1CB RCY A 121 63.147 -11.291 -5.355 1.00 1.00 H new HETATM 0 H1CA RCY A 121 63.025 -10.629 -3.708 1.00 1.00 H new HETATM 0 H1Z RCY A 121 60.385 -6.734 -2.549 1.00 1.00 H new HETATM 0 H1Y RCY A 121 58.707 -7.358 -4.248 1.00 1.00 H new HETATM 0 H1V RCY A 121 60.316 -9.126 -6.671 1.00 1.00 H new HETATM 0 H1U RCY A 121 63.521 -8.472 -4.794 1.00 1.00 H new HETATM 0 H1S RCY A 121 63.356 -8.323 -9.703 1.00 1.00 H new HETATM 0 H1M RCY A 121 61.421 -7.310 -6.582 1.00 1.00 H new HETATM 0 H1L RCY A 121 64.203 -10.597 -9.672 1.00 1.00 H new HETATM 0 H1C RCY A 121 61.733 -11.673 -4.345 1.00 1.00 H new HETATM 1328 C1C RCY A 130 80.409 10.613 -11.497 1.00 1.00 C HETATM 1329 O1G RCY A 130 82.416 10.638 -12.111 1.00 1.00 O HETATM 1330 O1H RCY A 130 83.457 6.946 -9.357 1.00 1.00 O HETATM 1331 O1J RCY A 130 79.166 7.998 -12.322 1.00 1.00 O HETATM 1332 C1L RCY A 130 84.237 9.004 -12.118 1.00 1.00 C HETATM 1333 C1M RCY A 130 80.742 8.072 -8.827 1.00 1.00 C HETATM 1334 C1P RCY A 130 82.963 9.671 -11.584 1.00 1.00 C HETATM 1335 C1Q RCY A 130 83.551 7.955 -10.055 1.00 1.00 C HETATM 1336 N1R RCY A 130 82.459 8.985 -10.315 1.00 1.00 N HETATM 1337 C1S RCY A 130 84.784 8.403 -10.818 1.00 1.00 C HETATM 1338 C1U RCY A 130 81.188 9.254 -9.507 1.00 1.00 C HETATM 1339 C1V RCY A 130 78.836 10.190 -9.555 1.00 1.00 C HETATM 1340 N1V RCY A 130 79.639 8.288 -10.972 1.00 1.00 N HETATM 1341 C1W RCY A 130 79.882 7.298 -9.835 1.00 1.00 C HETATM 1342 C1X RCY A 130 80.000 9.646 -10.385 1.00 1.00 C HETATM 1343 C1Y RCY A 130 78.555 6.877 -9.198 1.00 1.00 C HETATM 1344 C1Z RCY A 130 80.628 6.081 -10.381 1.00 1.00 C HETATM 0 H1ZB RCY A 130 81.540 6.407 -10.881 1.00 1.00 H new HETATM 0 H1ZA RCY A 130 80.885 5.413 -9.559 1.00 1.00 H new HETATM 0 H1YB RCY A 130 78.751 6.238 -8.337 1.00 1.00 H new HETATM 0 H1YA RCY A 130 78.009 7.763 -8.875 1.00 1.00 H new HETATM 0 H1VB RCY A 130 79.127 11.135 -9.095 1.00 1.00 H new HETATM 0 H1VA RCY A 130 77.973 10.352 -10.201 1.00 1.00 H new HETATM 0 H1MA RCY A 130 81.589 7.471 -8.495 1.00 1.00 H new HETATM 0 H1LA RCY A 130 84.026 8.246 -12.872 1.00 1.00 H new HETATM 0 H1CB RCY A 130 80.822 11.520 -11.056 1.00 1.00 H new HETATM 0 H1CA RCY A 130 81.161 10.142 -12.130 1.00 1.00 H new HETATM 0 H1Z RCY A 130 79.992 5.554 -11.092 1.00 1.00 H new HETATM 0 H1Y RCY A 130 77.959 6.329 -9.928 1.00 1.00 H new HETATM 0 H1V RCY A 130 78.577 9.472 -8.777 1.00 1.00 H new HETATM 0 H1U RCY A 130 81.467 10.059 -8.826 1.00 1.00 H new HETATM 0 H1S RCY A 130 85.356 9.138 -10.251 1.00 1.00 H new HETATM 0 H1M RCY A 130 80.165 8.328 -7.939 1.00 1.00 H new HETATM 0 H1L RCY A 130 84.925 9.719 -12.569 1.00 1.00 H new HETATM 0 H1C RCY A 130 79.536 10.867 -12.098 1.00 1.00 H new HETATM 1347 C1C RCY A 138 80.008 5.707 5.224 1.00 1.00 C HETATM 1348 O1G RCY A 138 80.084 2.688 4.526 1.00 1.00 O HETATM 1349 O1H RCY A 138 84.646 3.267 5.596 1.00 1.00 O HETATM 1350 O1J RCY A 138 80.304 7.974 3.263 1.00 1.00 O HETATM 1351 C1L RCY A 138 81.781 1.207 5.483 1.00 1.00 C HETATM 1352 C1M RCY A 138 82.967 5.222 3.054 1.00 1.00 C HETATM 1353 C1P RCY A 138 81.251 2.511 4.872 1.00 1.00 C HETATM 1354 C1Q RCY A 138 83.584 2.789 5.203 1.00 1.00 C HETATM 1355 N1R RCY A 138 82.352 3.562 4.746 1.00 1.00 N HETATM 1356 C1S RCY A 138 83.257 1.312 5.083 1.00 1.00 C HETATM 1357 C1U RCY A 138 82.256 5.017 4.284 1.00 1.00 C HETATM 1358 C1V RCY A 138 80.132 4.439 3.031 1.00 1.00 C HETATM 1359 N1V RCY A 138 81.091 6.745 3.218 1.00 1.00 N HETATM 1360 C1W RCY A 138 82.366 6.482 2.418 1.00 1.00 C HETATM 1361 C1X RCY A 138 80.825 5.441 3.957 1.00 1.00 C HETATM 1362 C1Y RCY A 138 82.031 6.233 0.944 1.00 1.00 C HETATM 1363 C1Z RCY A 138 83.305 7.679 2.563 1.00 1.00 C HETATM 0 H1ZB RCY A 138 83.483 7.876 3.620 1.00 1.00 H new HETATM 0 H1ZA RCY A 138 84.252 7.460 2.070 1.00 1.00 H new HETATM 0 H1YB RCY A 138 82.939 5.964 0.405 1.00 1.00 H new HETATM 0 H1YA RCY A 138 81.309 5.420 0.867 1.00 1.00 H new HETATM 0 H1VB RCY A 138 79.997 3.493 3.555 1.00 1.00 H new HETATM 0 H1MA RCY A 138 84.034 5.349 3.238 1.00 1.00 H new HETATM 0 H1LA RCY A 138 81.643 1.166 6.563 1.00 1.00 H new HETATM 0 H1CB RCY A 138 79.967 4.800 5.827 1.00 1.00 H new HETATM 0 H1Z RCY A 138 82.850 8.556 2.102 1.00 1.00 H new HETATM 0 H1Y RCY A 138 81.606 7.138 0.510 1.00 1.00 H new HETATM 0 H1U RCY A 138 82.665 5.591 5.115 1.00 1.00 H new HETATM 0 H1S RCY A 138 83.419 0.952 4.067 1.00 1.00 H new HETATM 0 H1M RCY A 138 82.858 4.362 2.393 1.00 1.00 H new HETATM 0 H1L RCY A 138 81.297 0.324 5.066 1.00 1.00 H new HETATM 0 H1C RCY A 138 78.997 6.006 4.949 1.00 1.00 H new HETATM 1366 C1C RCY A 150 77.160 4.116 2.802 1.00 1.00 C HETATM 1367 O1G RCY A 150 75.895 9.308 4.067 1.00 1.00 O HETATM 1368 O1H RCY A 150 75.394 4.701 4.976 1.00 1.00 O HETATM 1369 O1J RCY A 150 80.083 4.365 2.123 1.00 1.00 O HETATM 1370 C1L RCY A 150 74.274 8.026 5.377 1.00 1.00 C HETATM 1371 C1M RCY A 150 78.438 7.493 3.610 1.00 1.00 C HETATM 1372 C1P RCY A 150 75.483 8.215 4.452 1.00 1.00 C HETATM 1373 C1Q RCY A 150 75.157 5.879 4.712 1.00 1.00 C HETATM 1374 N1R RCY A 150 76.112 6.877 4.069 1.00 1.00 N HETATM 1375 C1S RCY A 150 73.852 6.610 4.971 1.00 1.00 C HETATM 1376 C1U RCY A 150 77.375 6.598 3.251 1.00 1.00 C HETATM 1377 C1V RCY A 150 78.103 4.929 5.010 1.00 1.00 C HETATM 1378 N1V RCY A 150 79.329 5.367 2.871 1.00 1.00 N HETATM 1379 C1W RCY A 150 79.739 6.805 3.183 1.00 1.00 C HETATM 1380 C1X RCY A 150 77.958 5.211 3.514 1.00 1.00 C HETATM 1381 C1Y RCY A 150 80.763 6.834 4.321 1.00 1.00 C HETATM 1382 C1Z RCY A 150 80.318 7.445 1.921 1.00 1.00 C HETATM 0 H1ZB RCY A 150 79.598 7.360 1.107 1.00 1.00 H new HETATM 0 H1VB RCY A 150 77.115 4.875 5.467 1.00 1.00 H new HETATM 0 H1VA RCY A 150 78.622 3.981 5.153 1.00 1.00 H new HETATM 0 H1MA RCY A 150 78.323 8.454 3.109 1.00 1.00 H new HETATM 0 H1LA RCY A 150 74.540 8.096 6.432 1.00 1.00 H new HETATM 0 H1CB RCY A 150 76.130 4.127 3.157 1.00 1.00 H new HETATM 0 H1CA RCY A 150 77.175 4.295 1.727 1.00 1.00 H new HETATM 0 H1V RCY A 150 78.676 5.730 5.477 1.00 1.00 H new HETATM 0 H1U RCY A 150 77.053 6.709 2.215 1.00 1.00 H new HETATM 0 H1S RCY A 150 73.223 6.624 4.081 1.00 1.00 H new HETATM 0 H1M RCY A 150 78.436 7.690 4.682 1.00 1.00 H new HETATM 0 H1L RCY A 150 73.491 8.763 5.197 1.00 1.00 H new HETATM 0 H1C RCY A 150 77.606 3.144 3.014 1.00 1.00 H new HETATM 1385 C1C RCY A 160 73.686 4.077 -4.545 1.00 1.00 C HETATM 1386 O1G RCY A 160 77.395 7.411 -2.993 1.00 1.00 O HETATM 1387 O1H RCY A 160 72.718 7.210 -3.618 1.00 1.00 O HETATM 1388 O1J RCY A 160 73.577 1.847 -2.524 1.00 1.00 O HETATM 1389 C1L RCY A 160 75.727 9.056 -3.701 1.00 1.00 C HETATM 1390 C1M RCY A 160 75.245 5.094 -1.346 1.00 1.00 C HETATM 1391 C1P RCY A 160 76.225 7.671 -3.270 1.00 1.00 C HETATM 1392 C1Q RCY A 160 73.913 7.464 -3.763 1.00 1.00 C HETATM 1393 N1R RCY A 160 75.086 6.652 -3.229 1.00 1.00 N HETATM 1394 C1S RCY A 160 74.491 8.651 -4.512 1.00 1.00 C HETATM 1395 C1U RCY A 160 75.108 5.193 -2.771 1.00 1.00 C HETATM 1396 C1V RCY A 160 72.583 5.251 -2.587 1.00 1.00 C HETATM 1397 N1V RCY A 160 73.990 3.213 -2.214 1.00 1.00 N HETATM 1398 C1W RCY A 160 74.708 3.710 -0.960 1.00 1.00 C HETATM 1399 C1X RCY A 160 73.801 4.459 -3.068 1.00 1.00 C HETATM 1400 C1Y RCY A 160 73.727 3.821 0.210 1.00 1.00 C HETATM 1401 C1Z RCY A 160 75.846 2.748 -0.620 1.00 1.00 C HETATM 0 H1ZB RCY A 160 76.500 2.637 -1.485 1.00 1.00 H new HETATM 0 H1ZA RCY A 160 76.419 3.144 0.219 1.00 1.00 H new HETATM 0 H1YB RCY A 160 74.235 4.255 1.071 1.00 1.00 H new HETATM 0 H1YA RCY A 160 72.890 4.457 -0.076 1.00 1.00 H new HETATM 0 H1VB RCY A 160 72.491 6.167 -3.170 1.00 1.00 H new HETATM 0 H1VA RCY A 160 71.684 4.648 -2.714 1.00 1.00 H new HETATM 0 H1MA RCY A 160 76.287 5.205 -1.046 1.00 1.00 H new HETATM 0 H1LA RCY A 160 75.479 9.693 -2.852 1.00 1.00 H new HETATM 0 H1CB RCY A 160 73.719 4.978 -5.157 1.00 1.00 H new HETATM 0 H1CA RCY A 160 74.514 3.423 -4.817 1.00 1.00 H new HETATM 0 H1Z RCY A 160 75.433 1.776 -0.351 1.00 1.00 H new HETATM 0 H1Y RCY A 160 73.357 2.829 0.470 1.00 1.00 H new HETATM 0 H1V RCY A 160 72.705 5.502 -1.533 1.00 1.00 H new HETATM 0 H1U RCY A 160 75.947 4.755 -3.312 1.00 1.00 H new HETATM 0 H1S RCY A 160 74.758 8.383 -5.534 1.00 1.00 H new HETATM 0 H1M RCY A 160 74.684 5.883 -0.845 1.00 1.00 H new HETATM 0 H1L RCY A 160 76.461 9.595 -4.300 1.00 1.00 H new HETATM 1404 C1C RCY A 168 68.548 1.426 -1.575 1.00 1.00 C HETATM 1405 O1G RCY A 168 72.059 -2.344 -1.027 1.00 1.00 O HETATM 1406 O1H RCY A 168 69.227 0.550 -3.457 1.00 1.00 O HETATM 1407 O1J RCY A 168 66.355 -0.393 -2.549 1.00 1.00 O HETATM 1408 C1L RCY A 168 72.068 -1.544 -3.339 1.00 1.00 C HETATM 1409 C1M RCY A 168 68.796 -1.921 -0.017 1.00 1.00 C HETATM 1410 C1P RCY A 168 71.519 -1.685 -1.914 1.00 1.00 C HETATM 1411 C1Q RCY A 168 69.957 -0.389 -3.142 1.00 1.00 C HETATM 1412 N1R RCY A 168 70.218 -0.906 -1.733 1.00 1.00 N HETATM 1413 C1S RCY A 168 70.766 -1.251 -4.094 1.00 1.00 C HETATM 1414 C1U RCY A 168 69.384 -0.692 -0.468 1.00 1.00 C HETATM 1415 C1V RCY A 168 67.542 0.661 0.622 1.00 1.00 C HETATM 1416 N1V RCY A 168 67.259 -0.718 -1.450 1.00 1.00 N HETATM 1417 C1W RCY A 168 67.486 -2.081 -0.798 1.00 1.00 C HETATM 1418 C1X RCY A 168 68.185 0.227 -0.697 1.00 1.00 C HETATM 1419 C1Y RCY A 168 66.332 -2.420 0.149 1.00 1.00 C HETATM 1420 C1Z RCY A 168 67.616 -3.142 -1.891 1.00 1.00 C HETATM 0 H1ZB RCY A 168 68.402 -2.851 -2.589 1.00 1.00 H new HETATM 0 H1ZA RCY A 168 67.869 -4.101 -1.439 1.00 1.00 H new HETATM 0 H1YB RCY A 168 66.550 -3.353 0.668 1.00 1.00 H new HETATM 0 H1YA RCY A 168 66.212 -1.619 0.878 1.00 1.00 H new HETATM 0 H1VB RCY A 168 68.238 1.292 1.176 1.00 1.00 H new HETATM 0 H1VA RCY A 168 66.630 1.221 0.415 1.00 1.00 H new HETATM 0 H1MA RCY A 168 69.464 -2.762 -0.201 1.00 1.00 H new HETATM 0 H1LA RCY A 168 72.793 -0.735 -3.429 1.00 1.00 H new HETATM 0 H1CB RCY A 168 69.336 2.005 -1.093 1.00 1.00 H new HETATM 0 H1CA RCY A 168 68.899 1.074 -2.545 1.00 1.00 H new HETATM 0 H1Z RCY A 168 66.670 -3.231 -2.426 1.00 1.00 H new HETATM 0 H1Y RCY A 168 65.411 -2.530 -0.424 1.00 1.00 H new HETATM 0 H1V RCY A 168 67.300 -0.220 1.216 1.00 1.00 H new HETATM 0 H1U RCY A 168 70.086 -0.265 0.248 1.00 1.00 H new HETATM 0 H1S RCY A 168 70.237 -2.171 -4.343 1.00 1.00 H new HETATM 0 H1M RCY A 168 68.608 -1.892 1.056 1.00 1.00 H new HETATM 0 H1L RCY A 168 72.558 -2.452 -3.689 1.00 1.00 H new HETATM 0 H1C RCY A 168 67.669 2.055 -1.714 1.00 1.00 H new HETATM 1423 C1C RCY A 173 79.614 -0.390 -2.181 1.00 1.00 C HETATM 1424 O1G RCY A 173 81.672 -5.063 -1.643 1.00 1.00 O HETATM 1425 O1H RCY A 173 81.349 -0.942 -3.926 1.00 1.00 O HETATM 1426 O1J RCY A 173 77.413 -2.296 -1.414 1.00 1.00 O HETATM 1427 C1L RCY A 173 81.880 -4.432 -3.998 1.00 1.00 C HETATM 1428 C1M RCY A 173 80.840 -2.972 0.169 1.00 1.00 C HETATM 1429 C1P RCY A 173 81.620 -4.189 -2.506 1.00 1.00 C HETATM 1430 C1Q RCY A 173 81.248 -2.131 -3.628 1.00 1.00 C HETATM 1431 N1R RCY A 173 81.287 -2.724 -2.225 1.00 1.00 N HETATM 1432 C1S RCY A 173 81.061 -3.284 -4.598 1.00 1.00 C HETATM 1433 C1U RCY A 173 81.052 -2.023 -0.886 1.00 1.00 C HETATM 1434 C1V RCY A 173 79.719 -0.259 0.349 1.00 1.00 C HETATM 1435 N1V RCY A 173 78.726 -2.264 -0.776 1.00 1.00 N HETATM 1436 C1W RCY A 173 79.346 -3.317 0.140 1.00 1.00 C HETATM 1437 C1X RCY A 173 79.783 -1.172 -0.877 1.00 1.00 C HETATM 1438 C1Y RCY A 173 78.744 -3.225 1.545 1.00 1.00 C HETATM 1439 C1Z RCY A 173 79.108 -4.704 -0.459 1.00 1.00 C HETATM 0 H1VB RCY A 173 80.515 0.484 0.291 1.00 1.00 H new HETATM 0 H1VA RCY A 173 78.753 0.245 0.377 1.00 1.00 H new HETATM 0 H1MA RCY A 173 81.448 -3.864 0.019 1.00 1.00 H new HETATM 0 H1LA RCY A 173 82.938 -4.368 -4.253 1.00 1.00 H new HETATM 0 H1CB RCY A 173 80.469 0.272 -2.322 1.00 1.00 H new HETATM 0 H1CA RCY A 173 79.553 -1.086 -3.017 1.00 1.00 H new HETATM 0 H1V RCY A 173 79.843 -0.855 1.253 1.00 1.00 H new HETATM 0 H1S RCY A 173 80.010 -3.555 -4.693 1.00 1.00 H new HETATM 0 H1L RCY A 173 81.531 -5.410 -4.328 1.00 1.00 H new HETATM 0 H1C RCY A 173 78.700 0.202 -2.134 1.00 1.00 H new HETATM 1442 C1C RCY A 176 78.397 -3.022 -0.114 1.00 1.00 C HETATM 1443 O1G RCY A 176 82.808 -4.318 -0.474 1.00 1.00 O HETATM 1444 O1H RCY A 176 79.139 -3.802 -3.402 1.00 1.00 O HETATM 1445 O1J RCY A 176 80.094 -3.576 2.311 1.00 1.00 O HETATM 1446 C1L RCY A 176 81.822 -5.754 -2.193 1.00 1.00 C HETATM 1447 C1M RCY A 176 81.778 -1.565 -0.487 1.00 1.00 C HETATM 1448 C1P RCY A 176 81.927 -4.502 -1.312 1.00 1.00 C HETATM 1449 C1Q RCY A 176 79.958 -4.279 -2.618 1.00 1.00 C HETATM 1450 N1R RCY A 176 80.802 -3.512 -1.606 1.00 1.00 N HETATM 1451 C1S RCY A 176 80.317 -5.747 -2.479 1.00 1.00 C HETATM 1452 C1U RCY A 176 80.571 -2.110 -1.038 1.00 1.00 C HETATM 1453 C1V RCY A 176 79.151 -0.679 0.495 1.00 1.00 C HETATM 1454 N1V RCY A 176 80.479 -2.670 1.232 1.00 1.00 N HETATM 1455 C1W RCY A 176 81.862 -2.085 0.954 1.00 1.00 C HETATM 1456 C1X RCY A 176 79.592 -2.100 0.135 1.00 1.00 C HETATM 1457 C1Y RCY A 176 82.164 -0.938 1.923 1.00 1.00 C HETATM 1458 C1Z RCY A 176 82.910 -3.191 1.085 1.00 1.00 C HETATM 0 H1ZB RCY A 176 82.645 -4.022 0.431 1.00 1.00 H new HETATM 0 H1ZA RCY A 176 83.887 -2.802 0.799 1.00 1.00 H new HETATM 0 H1YB RCY A 176 83.116 -0.478 1.657 1.00 1.00 H new HETATM 0 H1YA RCY A 176 81.371 -0.192 1.862 1.00 1.00 H new HETATM 0 H1VA RCY A 176 78.545 -0.705 1.401 1.00 1.00 H new HETATM 0 H1Z RCY A 176 82.945 -3.538 2.118 1.00 1.00 H new HETATM 0 H1Y RCY A 176 82.220 -1.326 2.940 1.00 1.00 H new HETATM 0 H1V RCY A 176 80.030 -0.057 0.664 1.00 1.00 H new HETATM 0 H1S RCY A 176 79.758 -6.216 -1.670 1.00 1.00 H new HETATM 0 H1L RCY A 176 82.144 -6.657 -1.675 1.00 1.00 H new HETATM 1461 C1C RCY A 187 80.597 -3.685 -1.675 1.00 1.00 C HETATM 1462 O1G RCY A 187 79.967 -4.629 1.528 1.00 1.00 O HETATM 1463 O1H RCY A 187 76.736 -6.879 -1.078 1.00 1.00 O HETATM 1464 O1J RCY A 187 79.656 -0.958 -2.540 1.00 1.00 O HETATM 1465 C1L RCY A 187 78.950 -6.849 1.673 1.00 1.00 C HETATM 1466 C1M RCY A 187 77.084 -3.100 -0.668 1.00 1.00 C HETATM 1467 C1P RCY A 187 79.157 -5.445 1.091 1.00 1.00 C HETATM 1468 C1Q RCY A 187 77.389 -6.453 -0.126 1.00 1.00 C HETATM 1469 N1R RCY A 187 78.234 -5.186 -0.098 1.00 1.00 N HETATM 1470 C1S RCY A 187 77.500 -7.099 1.243 1.00 1.00 C HETATM 1471 C1U RCY A 187 78.166 -3.972 -1.026 1.00 1.00 C HETATM 1472 C1V RCY A 187 79.750 -2.745 0.522 1.00 1.00 C HETATM 1473 N1V RCY A 187 78.902 -1.841 -1.654 1.00 1.00 N HETATM 1474 C1W RCY A 187 77.434 -1.724 -1.248 1.00 1.00 C HETATM 1475 C1X RCY A 187 79.404 -3.082 -0.930 1.00 1.00 C HETATM 1476 C1Y RCY A 187 77.257 -0.633 -0.188 1.00 1.00 C HETATM 1477 C1Z RCY A 187 76.595 -1.414 -2.487 1.00 1.00 C HETATM 0 H1ZB RCY A 187 76.781 -2.169 -3.251 1.00 1.00 H new HETATM 0 H1ZA RCY A 187 75.538 -1.419 -2.221 1.00 1.00 H new HETATM 0 H1YB RCY A 187 76.221 -0.620 0.152 1.00 1.00 H new HETATM 0 H1YA RCY A 187 77.914 -0.837 0.658 1.00 1.00 H new HETATM 0 H1MA RCY A 187 76.140 -3.464 -1.073 1.00 1.00 H new HETATM 0 H1LA RCY A 187 79.642 -7.580 1.255 1.00 1.00 H new HETATM 0 H1Z RCY A 187 76.867 -0.432 -2.874 1.00 1.00 H new HETATM 0 H1Y RCY A 187 77.510 0.336 -0.618 1.00 1.00 H new HETATM 0 H1U RCY A 187 78.057 -4.402 -2.022 1.00 1.00 H new HETATM 0 H1S RCY A 187 76.796 -6.657 1.948 1.00 1.00 H new HETATM 0 H1L RCY A 187 79.075 -6.875 2.756 1.00 1.00 H new