USER MOD reduce.3.24.130724 H: found=0, std=0, add=798, rem=0, adj=13 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 60 CYS H : A 60 CYS N : A 160 RCY C1M :(H bumps) USER MOD NoAdj-H: A 61 GLY H : A 61 GLY N : A 160 RCY C1M :(H bumps) USER MOD NoAdj-H: A 110 RCYH1SA : A 110 RCY C1S : A 10 CYS SG :(H bumps) USER MOD NoAdj-H: A 121 RCYH1SA : A 121 RCY C1S : A 21 CYS SG :(H bumps) USER MOD NoAdj-H: A 130 RCYH1SA : A 130 RCY C1S : A 30 CYS SG :(H bumps) USER MOD NoAdj-H: A 130 RCY H1L : A 130 RCY C1L : A 130 RCY C1U :(H bumps) USER MOD NoAdj-H: A 138 RCYH1VA : A 138 RCY C1V : A 187 RCY C1Z :(H bumps) USER MOD NoAdj-H: A 138 RCYH1SA : A 138 RCY C1S : A 138 RCY N1R :(H bumps) USER MOD NoAdj-H: A 138 RCYH1LA : A 138 RCY C1L : A 138 RCY C1U :(H bumps) USER MOD NoAdj-H: A 138 RCYH1CB : A 138 RCY C1C : A 187 RCY O1G :(H bumps) USER MOD NoAdj-H: A 138 RCY H1S : A 138 RCY C1S : A 138 RCY C1P :(H bumps) USER MOD NoAdj-H: A 138 RCY H1C : A 138 RCY C1C : A 187 RCY O1G :(H bumps) USER MOD NoAdj-H: A 150 RCYH1ZB : A 150 RCY C1Z : A 63 ASP CB :(H bumps) USER MOD NoAdj-H: A 150 RCYH1ZA : A 150 RCY C1Z : A 63 ASP CB :(H bumps) USER MOD NoAdj-H: A 150 RCYH1SA : A 150 RCY C1S : A 50 CYS SG :(H bumps) USER MOD NoAdj-H: A 150 RCY H1Z : A 150 RCY C1Z : A 63 ASP OD1 :(H bumps) USER MOD NoAdj-H: A 160 RCYH1ZB : A 160 RCY C1Z : A 60 CYS CB :(H bumps) USER MOD NoAdj-H: A 160 RCYH1YB : A 160 RCY C1Y : A 59 GLY O :(H bumps) USER MOD NoAdj-H: A 160 RCYH1SA : A 160 RCY C1S : A 160 RCY C1U :(H bumps) USER MOD NoAdj-H: A 160 RCYH1MA : A 160 RCY C1M : A 61 GLY N :(H bumps) USER MOD NoAdj-H: A 160 RCY H1Z : A 160 RCY C1Z : A 60 CYS CB :(H bumps) USER MOD NoAdj-H: A 160 RCY H1Y : A 160 RCY C1Y : A 59 GLY O :(H bumps) USER MOD NoAdj-H: A 160 RCY H1S : A 160 RCY C1S : A 160 RCY C1U :(H bumps) USER MOD NoAdj-H: A 160 RCY H1M : A 160 RCY C1M : A 60 CYS N :(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 RCYH1SA : A 173 RCY C1S : A 73 CYS SG :(H bumps) USER MOD NoAdj-H: A 176 RCYH1SA : A 176 RCY C1S : A 76 CYS SG :(H bumps) USER MOD NoAdj-H: A 187 RCYH1ZB : A 187 RCY C1Z : A 138 RCY C1C :(H bumps) USER MOD NoAdj-H: A 187 RCYH1ZA : A 187 RCY C1Z : A 138 RCY C1V :(H bumps) USER MOD NoAdj-H: A 187 RCYH1VA : A 187 RCY C1V : A 176 RCY O1J :(H bumps) USER MOD NoAdj-H: A 187 RCYH1SA : A 187 RCY C1S : A 87 CYS SG :(H bumps) USER MOD NoAdj-H: A 187 RCY H1Z : A 187 RCY C1Z : A 138 RCY C1X :(H bumps) USER MOD NoAdj-H: A 187 RCY H1C : A 187 RCY C1C : A 176 RCY O1J :(H bumps) USER MOD Set 1.1: A 62 THR OG1 : rot 117:sc= 0.672 USER MOD Set 1.2: A 65 THR OG1 : rot -170:sc= 1.09 USER MOD Set 2.1: A 25 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0502) USER MOD Set 2.2: A 32 GLN : amide:sc= -0.197 X(o=-0.2,f=-0.12) USER MOD Set 3.1: A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 2 ASN :FLIP amide:sc= -1.04 F(o=-5.4!,f=-1) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot -28:sc= 0.122! USER MOD Single : A 14 THR OG1 : rot 43:sc= 0.424 USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.0111 USER MOD Single : A 29 LYS NZ :NH3+ -146:sc= -0.054 (180deg=-1.5!) USER MOD Single : A 31 LYS NZ :NH3+ 162:sc= 0 (180deg=-0.355) USER MOD Single : A 34 GLN : amide:sc= -3.74! C(o=-3.7!,f=-3.7!) USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.355! USER MOD Single : A 37 GLN : amide:sc= -0.264 K(o=-0.26,f=-0.78) USER MOD Single : A 39 LYS NZ :NH3+ -150:sc= -0.316 (180deg=-1.5!) USER MOD Single : A 40 SER OG : rot 3:sc= 0.67! USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN :FLIP amide:sc= 0 F(o=-1.2,f=0) USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc= -26.8! C(o=-27!,f=-37!) USER MOD Single : A 75 HIS : no HD1:sc= -0.295 K(o=-0.29,f=-2.4!) USER MOD Single : A 79 HIS : no HD1:sc= -0.516 K(o=-0.52,f=-3.2!) USER MOD Single : A 83 GLN : amide:sc= -0.084 X(o=-0.084,f=-0.063) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 56.290 9.023 6.398 1.00 1.00 N ATOM 2 CA MET A 1 55.170 9.987 6.592 1.00 1.00 C ATOM 3 C MET A 1 54.906 10.731 5.281 1.00 1.00 C ATOM 4 O MET A 1 54.840 11.943 5.247 1.00 1.00 O ATOM 5 CB MET A 1 55.545 10.992 7.683 1.00 1.00 C ATOM 6 CG MET A 1 54.289 11.727 8.154 1.00 1.00 C ATOM 7 SD MET A 1 54.767 13.218 9.062 1.00 1.00 S ATOM 8 CE MET A 1 54.209 12.677 10.697 1.00 1.00 C ATOM 0 H1 MET A 1 56.470 8.517 7.288 1.00 1.00 H new ATOM 0 H2 MET A 1 56.035 8.340 5.657 1.00 1.00 H new ATOM 0 H3 MET A 1 57.147 9.539 6.114 1.00 1.00 H new ATOM 0 HA MET A 1 54.272 9.446 6.890 1.00 1.00 H new ATOM 0 HB2 MET A 1 56.013 10.477 8.521 1.00 1.00 H new ATOM 0 HB3 MET A 1 56.274 11.706 7.300 1.00 1.00 H new ATOM 0 HG2 MET A 1 53.668 11.993 7.299 1.00 1.00 H new ATOM 0 HG3 MET A 1 53.691 11.076 8.792 1.00 1.00 H new ATOM 0 HE1 MET A 1 54.410 13.460 11.428 1.00 1.00 H new ATOM 0 HE2 MET A 1 53.138 12.475 10.668 1.00 1.00 H new ATOM 0 HE3 MET A 1 54.742 11.770 10.981 1.00 1.00 H new ATOM 17 N ASN A 2 54.754 10.014 4.201 1.00 1.00 N ATOM 18 CA ASN A 2 54.494 10.682 2.894 1.00 1.00 C ATOM 19 C ASN A 2 54.232 9.622 1.822 1.00 1.00 C ATOM 20 O ASN A 2 54.448 9.847 0.648 1.00 1.00 O ATOM 21 CB ASN A 2 55.713 11.518 2.498 1.00 1.00 C ATOM 22 CG ASN A 2 56.983 10.683 2.670 1.00 1.00 C ATOM 23 OD1 ASN A 2 56.881 9.405 2.913 1.00 1.00 O flip ATOM 24 ND2 ASN A 2 58.080 11.198 2.581 1.00 1.00 N flip ATOM 0 H ASN A 2 54.799 8.996 4.167 1.00 1.00 H new ATOM 0 HA ASN A 2 53.622 11.330 2.984 1.00 1.00 H new ATOM 0 HB2 ASN A 2 55.620 11.849 1.464 1.00 1.00 H new ATOM 0 HB3 ASN A 2 55.768 12.415 3.115 1.00 1.00 H new ATOM 0 HD21 ASN A 2 58.161 12.197 2.391 1.00 1.00 H new ATOM 0 HD22 ASN A 2 58.920 10.631 2.696 1.00 1.00 H new ATOM 31 N LEU A 3 53.768 8.468 2.216 1.00 1.00 N ATOM 32 CA LEU A 3 53.493 7.396 1.217 1.00 1.00 C ATOM 33 C LEU A 3 52.551 6.359 1.833 1.00 1.00 C ATOM 34 O LEU A 3 52.766 5.885 2.931 1.00 1.00 O ATOM 35 CB LEU A 3 54.811 6.724 0.818 1.00 1.00 C ATOM 36 CG LEU A 3 54.522 5.520 -0.081 1.00 1.00 C ATOM 37 CD1 LEU A 3 53.668 5.964 -1.270 1.00 1.00 C ATOM 38 CD2 LEU A 3 55.843 4.939 -0.591 1.00 1.00 C ATOM 0 H LEU A 3 53.568 8.221 3.185 1.00 1.00 H new ATOM 0 HA LEU A 3 53.026 7.829 0.332 1.00 1.00 H new ATOM 0 HB2 LEU A 3 55.450 7.436 0.295 1.00 1.00 H new ATOM 0 HB3 LEU A 3 55.352 6.404 1.709 1.00 1.00 H new ATOM 0 HG LEU A 3 53.985 4.761 0.488 1.00 1.00 H new ATOM 0 HD11 LEU A 3 53.462 5.106 -1.910 1.00 1.00 H new ATOM 0 HD12 LEU A 3 52.728 6.380 -0.908 1.00 1.00 H new ATOM 0 HD13 LEU A 3 54.205 6.722 -1.840 1.00 1.00 H new ATOM 0 HD21 LEU A 3 55.640 4.081 -1.232 1.00 1.00 H new ATOM 0 HD22 LEU A 3 56.379 5.698 -1.161 1.00 1.00 H new ATOM 0 HD23 LEU A 3 56.453 4.623 0.256 1.00 1.00 H new ATOM 50 N GLU A 4 51.506 6.005 1.135 1.00 1.00 N ATOM 51 CA GLU A 4 50.551 5.000 1.681 1.00 1.00 C ATOM 52 C GLU A 4 51.330 3.769 2.170 1.00 1.00 C ATOM 53 O GLU A 4 51.986 3.105 1.392 1.00 1.00 O ATOM 54 CB GLU A 4 49.579 4.577 0.578 1.00 1.00 C ATOM 55 CG GLU A 4 48.870 5.813 0.021 1.00 1.00 C ATOM 56 CD GLU A 4 48.023 6.456 1.121 1.00 1.00 C ATOM 57 OE1 GLU A 4 47.393 5.720 1.863 1.00 1.00 O ATOM 58 OE2 GLU A 4 48.020 7.673 1.204 1.00 1.00 O ATOM 0 H GLU A 4 51.273 6.368 0.211 1.00 1.00 H new ATOM 0 HA GLU A 4 49.997 5.436 2.512 1.00 1.00 H new ATOM 0 HB2 GLU A 4 50.117 4.064 -0.219 1.00 1.00 H new ATOM 0 HB3 GLU A 4 48.847 3.872 0.974 1.00 1.00 H new ATOM 0 HG2 GLU A 4 49.603 6.528 -0.353 1.00 1.00 H new ATOM 0 HG3 GLU A 4 48.238 5.534 -0.822 1.00 1.00 H new ATOM 65 N PRO A 5 51.263 3.458 3.444 1.00 1.00 N ATOM 66 CA PRO A 5 51.981 2.283 4.017 1.00 1.00 C ATOM 67 C PRO A 5 51.859 1.037 3.126 1.00 1.00 C ATOM 68 O PRO A 5 50.819 0.411 3.073 1.00 1.00 O ATOM 69 CB PRO A 5 51.274 2.056 5.354 1.00 1.00 C ATOM 70 CG PRO A 5 50.789 3.408 5.764 1.00 1.00 C ATOM 71 CD PRO A 5 50.502 4.185 4.474 1.00 1.00 C ATOM 0 HA PRO A 5 53.052 2.463 4.111 1.00 1.00 H new ATOM 0 HB2 PRO A 5 50.447 1.354 5.250 1.00 1.00 H new ATOM 0 HB3 PRO A 5 51.955 1.638 6.096 1.00 1.00 H new ATOM 0 HG2 PRO A 5 49.890 3.327 6.375 1.00 1.00 H new ATOM 0 HG3 PRO A 5 51.539 3.922 6.366 1.00 1.00 H new ATOM 0 HD2 PRO A 5 49.436 4.201 4.246 1.00 1.00 H new ATOM 0 HD3 PRO A 5 50.827 5.223 4.552 1.00 1.00 H new ATOM 79 N PRO A 6 52.909 0.678 2.427 1.00 1.00 N ATOM 80 CA PRO A 6 52.903 -0.509 1.529 1.00 1.00 C ATOM 81 C PRO A 6 53.137 -1.815 2.297 1.00 1.00 C ATOM 82 O PRO A 6 53.699 -1.821 3.374 1.00 1.00 O ATOM 83 CB PRO A 6 54.060 -0.229 0.570 1.00 1.00 C ATOM 84 CG PRO A 6 55.024 0.601 1.355 1.00 1.00 C ATOM 85 CD PRO A 6 54.212 1.362 2.411 1.00 1.00 C ATOM 0 HA PRO A 6 51.944 -0.644 1.028 1.00 1.00 H new ATOM 0 HB2 PRO A 6 54.523 -1.155 0.230 1.00 1.00 H new ATOM 0 HB3 PRO A 6 53.716 0.301 -0.319 1.00 1.00 H new ATOM 0 HG2 PRO A 6 55.777 -0.029 1.829 1.00 1.00 H new ATOM 0 HG3 PRO A 6 55.554 1.295 0.703 1.00 1.00 H new ATOM 0 HD2 PRO A 6 54.694 1.323 3.388 1.00 1.00 H new ATOM 0 HD3 PRO A 6 54.106 2.415 2.149 1.00 1.00 H new ATOM 93 N LYS A 7 52.709 -2.920 1.751 1.00 1.00 N ATOM 94 CA LYS A 7 52.907 -4.221 2.451 1.00 1.00 C ATOM 95 C LYS A 7 54.393 -4.588 2.433 1.00 1.00 C ATOM 96 O LYS A 7 55.206 -3.953 3.075 1.00 1.00 O ATOM 97 CB LYS A 7 52.099 -5.314 1.741 1.00 1.00 C ATOM 98 CG LYS A 7 52.235 -5.154 0.226 1.00 1.00 C ATOM 99 CD LYS A 7 51.036 -4.372 -0.315 1.00 1.00 C ATOM 100 CE LYS A 7 49.878 -5.334 -0.583 1.00 1.00 C ATOM 101 NZ LYS A 7 48.728 -4.580 -1.158 1.00 1.00 N ATOM 0 H LYS A 7 52.231 -2.979 0.852 1.00 1.00 H new ATOM 0 HA LYS A 7 52.567 -4.134 3.483 1.00 1.00 H new ATOM 0 HB2 LYS A 7 52.454 -6.298 2.046 1.00 1.00 H new ATOM 0 HB3 LYS A 7 51.050 -5.250 2.030 1.00 1.00 H new ATOM 0 HG2 LYS A 7 53.161 -4.632 -0.013 1.00 1.00 H new ATOM 0 HG3 LYS A 7 52.289 -6.133 -0.250 1.00 1.00 H new ATOM 0 HD2 LYS A 7 50.731 -3.610 0.403 1.00 1.00 H new ATOM 0 HD3 LYS A 7 51.311 -3.853 -1.233 1.00 1.00 H new ATOM 0 HE2 LYS A 7 50.194 -6.117 -1.272 1.00 1.00 H new ATOM 0 HE3 LYS A 7 49.578 -5.826 0.342 1.00 1.00 H new ATOM 0 HZ1 LYS A 7 47.940 -5.234 -1.340 1.00 1.00 H new ATOM 0 HZ2 LYS A 7 48.422 -3.848 -0.486 1.00 1.00 H new ATOM 0 HZ3 LYS A 7 49.018 -4.131 -2.050 1.00 1.00 H new ATOM 115 N ALA A 8 54.754 -5.608 1.704 1.00 1.00 N ATOM 116 CA ALA A 8 56.186 -6.013 1.648 1.00 1.00 C ATOM 117 C ALA A 8 56.739 -6.132 3.069 1.00 1.00 C ATOM 118 O ALA A 8 57.747 -5.542 3.405 1.00 1.00 O ATOM 119 CB ALA A 8 56.984 -4.960 0.877 1.00 1.00 C ATOM 0 H ALA A 8 54.119 -6.178 1.145 1.00 1.00 H new ATOM 0 HA ALA A 8 56.271 -6.975 1.143 1.00 1.00 H new ATOM 0 HB1 ALA A 8 58.032 -5.256 0.836 1.00 1.00 H new ATOM 0 HB2 ALA A 8 56.591 -4.875 -0.136 1.00 1.00 H new ATOM 0 HB3 ALA A 8 56.898 -3.997 1.381 1.00 1.00 H new ATOM 125 N GLU A 9 56.088 -6.891 3.908 1.00 1.00 N ATOM 126 CA GLU A 9 56.577 -7.046 5.307 1.00 1.00 C ATOM 127 C GLU A 9 57.852 -7.891 5.311 1.00 1.00 C ATOM 128 O GLU A 9 58.951 -7.374 5.349 1.00 1.00 O ATOM 129 CB GLU A 9 55.504 -7.739 6.149 1.00 1.00 C ATOM 130 CG GLU A 9 54.252 -6.861 6.204 1.00 1.00 C ATOM 131 CD GLU A 9 54.516 -5.650 7.100 1.00 1.00 C ATOM 132 OE1 GLU A 9 55.544 -5.637 7.757 1.00 1.00 O ATOM 133 OE2 GLU A 9 53.686 -4.756 7.114 1.00 1.00 O ATOM 0 H GLU A 9 55.239 -7.410 3.685 1.00 1.00 H new ATOM 0 HA GLU A 9 56.791 -6.063 5.728 1.00 1.00 H new ATOM 0 HB2 GLU A 9 55.261 -8.711 5.719 1.00 1.00 H new ATOM 0 HB3 GLU A 9 55.878 -7.921 7.156 1.00 1.00 H new ATOM 0 HG2 GLU A 9 53.981 -6.532 5.201 1.00 1.00 H new ATOM 0 HG3 GLU A 9 53.409 -7.435 6.589 1.00 1.00 H new ATOM 140 N CYS A 10 57.715 -9.188 5.273 1.00 1.00 N ATOM 141 CA CYS A 10 58.920 -10.065 5.276 1.00 1.00 C ATOM 142 C CYS A 10 59.724 -9.821 6.555 1.00 1.00 C ATOM 143 O CYS A 10 60.269 -8.755 6.763 1.00 1.00 O ATOM 144 CB CYS A 10 59.785 -9.745 4.051 1.00 1.00 C ATOM 145 SG CYS A 10 60.124 -11.270 3.136 1.00 1.00 S ATOM 0 H CYS A 10 56.821 -9.678 5.240 1.00 1.00 H new ATOM 0 HA CYS A 10 58.613 -11.110 5.238 1.00 1.00 H new ATOM 0 HB2 CYS A 10 59.273 -9.029 3.408 1.00 1.00 H new ATOM 0 HB3 CYS A 10 60.720 -9.281 4.364 1.00 1.00 H new ATOM 150 N ARG A 11 59.802 -10.800 7.415 1.00 1.00 N ATOM 151 CA ARG A 11 60.569 -10.622 8.680 1.00 1.00 C ATOM 152 C ARG A 11 62.058 -10.471 8.352 1.00 1.00 C ATOM 153 O ARG A 11 62.524 -10.912 7.320 1.00 1.00 O ATOM 154 CB ARG A 11 60.353 -11.849 9.582 1.00 1.00 C ATOM 155 CG ARG A 11 60.005 -11.389 10.999 1.00 1.00 C ATOM 156 CD ARG A 11 61.206 -10.665 11.611 1.00 1.00 C ATOM 157 NE ARG A 11 61.116 -10.722 13.097 1.00 1.00 N ATOM 158 CZ ARG A 11 61.922 -10.002 13.828 1.00 1.00 C ATOM 159 NH1 ARG A 11 62.808 -9.232 13.257 1.00 1.00 N ATOM 160 NH2 ARG A 11 61.843 -10.051 15.129 1.00 1.00 N ATOM 0 H ARG A 11 59.368 -11.715 7.296 1.00 1.00 H new ATOM 0 HA ARG A 11 60.223 -9.729 9.200 1.00 1.00 H new ATOM 0 HB2 ARG A 11 59.551 -12.470 9.183 1.00 1.00 H new ATOM 0 HB3 ARG A 11 61.253 -12.464 9.599 1.00 1.00 H new ATOM 0 HG2 ARG A 11 59.141 -10.725 10.975 1.00 1.00 H new ATOM 0 HG3 ARG A 11 59.732 -12.246 11.614 1.00 1.00 H new ATOM 0 HD2 ARG A 11 62.134 -11.128 11.274 1.00 1.00 H new ATOM 0 HD3 ARG A 11 61.228 -9.628 11.277 1.00 1.00 H new ATOM 0 HE ARG A 11 60.424 -11.324 13.543 1.00 1.00 H new ATOM 0 HH11 ARG A 11 62.870 -9.193 12.240 1.00 1.00 H new ATOM 0 HH12 ARG A 11 63.438 -8.669 13.828 1.00 1.00 H new ATOM 0 HH21 ARG A 11 61.151 -10.652 15.576 1.00 1.00 H new ATOM 0 HH22 ARG A 11 62.473 -9.488 15.700 1.00 1.00 H new ATOM 174 N SER A 12 62.808 -9.852 9.222 1.00 1.00 N ATOM 175 CA SER A 12 64.264 -9.674 8.959 1.00 1.00 C ATOM 176 C SER A 12 64.896 -11.032 8.646 1.00 1.00 C ATOM 177 O SER A 12 66.015 -11.113 8.179 1.00 1.00 O ATOM 178 CB SER A 12 64.936 -9.073 10.194 1.00 1.00 C ATOM 179 OG SER A 12 66.338 -8.996 9.975 1.00 1.00 O ATOM 0 H SER A 12 62.475 -9.462 10.104 1.00 1.00 H new ATOM 0 HA SER A 12 64.400 -9.005 8.109 1.00 1.00 H new ATOM 0 HB2 SER A 12 64.533 -8.081 10.395 1.00 1.00 H new ATOM 0 HB3 SER A 12 64.726 -9.686 11.071 1.00 1.00 H new ATOM 0 HG SER A 12 66.610 -9.698 9.347 1.00 1.00 H new ATOM 185 N ALA A 13 64.188 -12.098 8.900 1.00 1.00 N ATOM 186 CA ALA A 13 64.747 -13.451 8.617 1.00 1.00 C ATOM 187 C ALA A 13 66.039 -13.647 9.414 1.00 1.00 C ATOM 188 O ALA A 13 66.689 -12.698 9.804 1.00 1.00 O ATOM 189 CB ALA A 13 65.043 -13.579 7.121 1.00 1.00 C ATOM 0 H ALA A 13 63.246 -12.091 9.291 1.00 1.00 H new ATOM 0 HA ALA A 13 64.023 -14.211 8.909 1.00 1.00 H new ATOM 0 HB1 ALA A 13 65.452 -14.568 6.914 1.00 1.00 H new ATOM 0 HB2 ALA A 13 64.122 -13.441 6.555 1.00 1.00 H new ATOM 0 HB3 ALA A 13 65.767 -12.819 6.827 1.00 1.00 H new ATOM 195 N THR A 14 66.416 -14.873 9.658 1.00 1.00 N ATOM 196 CA THR A 14 67.665 -15.132 10.429 1.00 1.00 C ATOM 197 C THR A 14 68.246 -16.486 10.013 1.00 1.00 C ATOM 198 O THR A 14 67.632 -17.518 10.198 1.00 1.00 O ATOM 199 CB THR A 14 67.347 -15.154 11.926 1.00 1.00 C ATOM 200 OG1 THR A 14 66.249 -16.023 12.162 1.00 1.00 O ATOM 201 CG2 THR A 14 66.993 -13.742 12.396 1.00 1.00 C ATOM 0 H THR A 14 65.912 -15.707 9.356 1.00 1.00 H new ATOM 0 HA THR A 14 68.389 -14.344 10.223 1.00 1.00 H new ATOM 0 HB THR A 14 68.218 -15.510 12.477 1.00 1.00 H new ATOM 0 HG1 THR A 14 66.355 -16.837 11.626 1.00 1.00 H new ATOM 0 HG21 THR A 14 66.767 -13.759 13.462 1.00 1.00 H new ATOM 0 HG22 THR A 14 67.837 -13.076 12.215 1.00 1.00 H new ATOM 0 HG23 THR A 14 66.123 -13.383 11.846 1.00 1.00 H new ATOM 209 N ARG A 15 69.424 -16.490 9.451 1.00 1.00 N ATOM 210 CA ARG A 15 70.041 -17.777 9.024 1.00 1.00 C ATOM 211 C ARG A 15 71.556 -17.599 8.889 1.00 1.00 C ATOM 212 O ARG A 15 72.121 -16.630 9.354 1.00 1.00 O ATOM 213 CB ARG A 15 69.443 -18.212 7.678 1.00 1.00 C ATOM 214 CG ARG A 15 70.002 -17.334 6.557 1.00 1.00 C ATOM 215 CD ARG A 15 69.794 -15.860 6.910 1.00 1.00 C ATOM 216 NE ARG A 15 69.943 -15.029 5.682 1.00 1.00 N ATOM 217 CZ ARG A 15 71.112 -14.907 5.115 1.00 1.00 C ATOM 218 NH1 ARG A 15 72.150 -15.513 5.623 1.00 1.00 N ATOM 219 NH2 ARG A 15 71.243 -14.180 4.039 1.00 1.00 N ATOM 0 H ARG A 15 69.985 -15.658 9.269 1.00 1.00 H new ATOM 0 HA ARG A 15 69.836 -18.544 9.771 1.00 1.00 H new ATOM 0 HB2 ARG A 15 69.679 -19.258 7.485 1.00 1.00 H new ATOM 0 HB3 ARG A 15 68.356 -18.131 7.709 1.00 1.00 H new ATOM 0 HG2 ARG A 15 71.063 -17.539 6.416 1.00 1.00 H new ATOM 0 HG3 ARG A 15 69.504 -17.567 5.616 1.00 1.00 H new ATOM 0 HD2 ARG A 15 68.804 -15.715 7.342 1.00 1.00 H new ATOM 0 HD3 ARG A 15 70.519 -15.549 7.662 1.00 1.00 H new ATOM 0 HE ARG A 15 69.131 -14.556 5.285 1.00 1.00 H new ATOM 0 HH11 ARG A 15 72.048 -16.082 6.463 1.00 1.00 H new ATOM 0 HH12 ARG A 15 73.064 -15.418 5.180 1.00 1.00 H new ATOM 0 HH21 ARG A 15 70.432 -13.707 3.641 1.00 1.00 H new ATOM 0 HH22 ARG A 15 72.157 -14.085 3.596 1.00 1.00 H new ATOM 233 N VAL A 16 72.217 -18.530 8.254 1.00 1.00 N ATOM 234 CA VAL A 16 73.695 -18.416 8.089 1.00 1.00 C ATOM 235 C VAL A 16 74.109 -19.055 6.761 1.00 1.00 C ATOM 236 O VAL A 16 73.377 -19.831 6.180 1.00 1.00 O ATOM 237 CB VAL A 16 74.394 -19.139 9.243 1.00 1.00 C ATOM 238 CG1 VAL A 16 73.885 -20.579 9.327 1.00 1.00 C ATOM 239 CG2 VAL A 16 75.904 -19.147 8.998 1.00 1.00 C ATOM 0 H VAL A 16 71.797 -19.364 7.843 1.00 1.00 H new ATOM 0 HA VAL A 16 73.982 -17.364 8.092 1.00 1.00 H new ATOM 0 HB VAL A 16 74.179 -18.623 10.178 1.00 1.00 H new ATOM 0 HG11 VAL A 16 74.383 -21.094 10.149 1.00 1.00 H new ATOM 0 HG12 VAL A 16 72.809 -20.575 9.500 1.00 1.00 H new ATOM 0 HG13 VAL A 16 74.100 -21.096 8.392 1.00 1.00 H new ATOM 0 HG21 VAL A 16 76.403 -19.662 9.819 1.00 1.00 H new ATOM 0 HG22 VAL A 16 76.118 -19.664 8.062 1.00 1.00 H new ATOM 0 HG23 VAL A 16 76.268 -18.121 8.938 1.00 1.00 H new ATOM 249 N MET A 17 75.277 -18.734 6.276 1.00 1.00 N ATOM 250 CA MET A 17 75.736 -19.323 4.986 1.00 1.00 C ATOM 251 C MET A 17 74.922 -18.717 3.837 1.00 1.00 C ATOM 252 O MET A 17 73.852 -19.186 3.504 1.00 1.00 O ATOM 253 CB MET A 17 75.540 -20.847 5.026 1.00 1.00 C ATOM 254 CG MET A 17 76.706 -21.532 4.311 1.00 1.00 C ATOM 255 SD MET A 17 76.742 -21.009 2.578 1.00 1.00 S ATOM 256 CE MET A 17 77.378 -22.556 1.887 1.00 1.00 C ATOM 0 H MET A 17 75.933 -18.090 6.717 1.00 1.00 H new ATOM 0 HA MET A 17 76.792 -19.103 4.831 1.00 1.00 H new ATOM 0 HB2 MET A 17 75.482 -21.190 6.059 1.00 1.00 H new ATOM 0 HB3 MET A 17 74.598 -21.116 4.548 1.00 1.00 H new ATOM 0 HG2 MET A 17 77.647 -21.276 4.799 1.00 1.00 H new ATOM 0 HG3 MET A 17 76.599 -22.615 4.373 1.00 1.00 H new ATOM 0 HE1 MET A 17 77.481 -22.457 0.806 1.00 1.00 H new ATOM 0 HE2 MET A 17 78.351 -22.777 2.325 1.00 1.00 H new ATOM 0 HE3 MET A 17 76.686 -23.367 2.113 1.00 1.00 H new ATOM 266 N GLY A 18 75.421 -17.673 3.232 1.00 1.00 N ATOM 267 CA GLY A 18 74.676 -17.034 2.109 1.00 1.00 C ATOM 268 C GLY A 18 74.508 -18.037 0.966 1.00 1.00 C ATOM 269 O GLY A 18 73.946 -17.727 -0.066 1.00 1.00 O ATOM 0 H GLY A 18 76.312 -17.235 3.467 1.00 1.00 H new ATOM 0 HA2 GLY A 18 73.700 -16.694 2.454 1.00 1.00 H new ATOM 0 HA3 GLY A 18 75.214 -16.154 1.757 1.00 1.00 H new ATOM 273 N GLY A 19 74.991 -19.236 1.140 1.00 1.00 N ATOM 274 CA GLY A 19 74.858 -20.257 0.062 1.00 1.00 C ATOM 275 C GLY A 19 75.788 -19.901 -1.099 1.00 1.00 C ATOM 276 O GLY A 19 76.519 -18.932 -1.044 1.00 1.00 O ATOM 0 H GLY A 19 75.472 -19.553 1.982 1.00 1.00 H new ATOM 0 HA2 GLY A 19 75.106 -21.245 0.450 1.00 1.00 H new ATOM 0 HA3 GLY A 19 73.826 -20.301 -0.286 1.00 1.00 H new ATOM 280 N PRO A 20 75.758 -20.685 -2.143 1.00 1.00 N ATOM 281 CA PRO A 20 76.609 -20.460 -3.347 1.00 1.00 C ATOM 282 C PRO A 20 76.570 -19.004 -3.821 1.00 1.00 C ATOM 283 O PRO A 20 75.547 -18.509 -4.253 1.00 1.00 O ATOM 284 CB PRO A 20 75.996 -21.389 -4.400 1.00 1.00 C ATOM 285 CG PRO A 20 75.345 -22.485 -3.624 1.00 1.00 C ATOM 286 CD PRO A 20 74.907 -21.877 -2.289 1.00 1.00 C ATOM 0 HA PRO A 20 77.661 -20.664 -3.147 1.00 1.00 H new ATOM 0 HB2 PRO A 20 75.271 -20.859 -5.018 1.00 1.00 H new ATOM 0 HB3 PRO A 20 76.760 -21.782 -5.071 1.00 1.00 H new ATOM 0 HG2 PRO A 20 74.489 -22.887 -4.166 1.00 1.00 H new ATOM 0 HG3 PRO A 20 76.038 -23.311 -3.464 1.00 1.00 H new ATOM 0 HD2 PRO A 20 73.849 -21.613 -2.299 1.00 1.00 H new ATOM 0 HD3 PRO A 20 75.054 -22.575 -1.465 1.00 1.00 H new ATOM 294 N CYS A 21 77.677 -18.314 -3.742 1.00 1.00 N ATOM 295 CA CYS A 21 77.711 -16.891 -4.185 1.00 1.00 C ATOM 296 C CYS A 21 78.995 -16.632 -4.974 1.00 1.00 C ATOM 297 O CYS A 21 80.088 -16.759 -4.458 1.00 1.00 O ATOM 298 CB CYS A 21 77.673 -15.975 -2.959 1.00 1.00 C ATOM 299 SG CYS A 21 77.629 -14.247 -3.497 1.00 1.00 S ATOM 0 H CYS A 21 78.562 -18.677 -3.388 1.00 1.00 H new ATOM 0 HA CYS A 21 76.848 -16.687 -4.819 1.00 1.00 H new ATOM 0 HB2 CYS A 21 76.797 -16.200 -2.351 1.00 1.00 H new ATOM 0 HB3 CYS A 21 78.549 -16.150 -2.334 1.00 1.00 H new ATOM 304 N THR A 22 78.873 -16.270 -6.223 1.00 1.00 N ATOM 305 CA THR A 22 80.087 -16.002 -7.048 1.00 1.00 C ATOM 306 C THR A 22 79.812 -14.826 -7.994 1.00 1.00 C ATOM 307 O THR A 22 79.231 -14.999 -9.047 1.00 1.00 O ATOM 308 CB THR A 22 80.418 -17.247 -7.876 1.00 1.00 C ATOM 309 OG1 THR A 22 80.466 -18.382 -7.023 1.00 1.00 O ATOM 310 CG2 THR A 22 81.774 -17.062 -8.560 1.00 1.00 C ATOM 0 H THR A 22 77.984 -16.148 -6.708 1.00 1.00 H new ATOM 0 HA THR A 22 80.925 -15.758 -6.396 1.00 1.00 H new ATOM 0 HB THR A 22 79.649 -17.394 -8.634 1.00 1.00 H new ATOM 0 HG1 THR A 22 80.676 -19.180 -7.552 1.00 1.00 H new ATOM 0 HG21 THR A 22 82.008 -17.949 -9.149 1.00 1.00 H new ATOM 0 HG22 THR A 22 81.736 -16.191 -9.215 1.00 1.00 H new ATOM 0 HG23 THR A 22 82.545 -16.914 -7.804 1.00 1.00 H new ATOM 318 N PRO A 23 80.227 -13.638 -7.628 1.00 1.00 N ATOM 319 CA PRO A 23 80.018 -12.422 -8.470 1.00 1.00 C ATOM 320 C PRO A 23 80.496 -12.629 -9.912 1.00 1.00 C ATOM 321 O PRO A 23 81.363 -13.439 -10.178 1.00 1.00 O ATOM 322 CB PRO A 23 80.856 -11.344 -7.773 1.00 1.00 C ATOM 323 CG PRO A 23 80.966 -11.792 -6.353 1.00 1.00 C ATOM 324 CD PRO A 23 80.934 -13.322 -6.376 1.00 1.00 C ATOM 0 HA PRO A 23 78.963 -12.162 -8.552 1.00 1.00 H new ATOM 0 HB2 PRO A 23 81.839 -11.250 -8.234 1.00 1.00 H new ATOM 0 HB3 PRO A 23 80.377 -10.367 -7.842 1.00 1.00 H new ATOM 0 HG2 PRO A 23 81.890 -11.430 -5.903 1.00 1.00 H new ATOM 0 HG3 PRO A 23 80.144 -11.396 -5.756 1.00 1.00 H new ATOM 0 HD2 PRO A 23 81.939 -13.744 -6.366 1.00 1.00 H new ATOM 0 HD3 PRO A 23 80.411 -13.725 -5.508 1.00 1.00 H new ATOM 332 N ARG A 24 79.939 -11.904 -10.843 1.00 1.00 N ATOM 333 CA ARG A 24 80.363 -12.063 -12.262 1.00 1.00 C ATOM 334 C ARG A 24 79.821 -10.896 -13.093 1.00 1.00 C ATOM 335 O ARG A 24 78.640 -10.813 -13.368 1.00 1.00 O ATOM 336 CB ARG A 24 79.819 -13.385 -12.813 1.00 1.00 C ATOM 337 CG ARG A 24 78.425 -13.642 -12.238 1.00 1.00 C ATOM 338 CD ARG A 24 77.785 -14.829 -12.962 1.00 1.00 C ATOM 339 NE ARG A 24 76.577 -15.276 -12.212 1.00 1.00 N ATOM 340 CZ ARG A 24 76.093 -16.472 -12.408 1.00 1.00 C ATOM 341 NH1 ARG A 24 76.667 -17.276 -13.260 1.00 1.00 N ATOM 342 NH2 ARG A 24 75.036 -16.863 -11.751 1.00 1.00 N ATOM 0 H ARG A 24 79.210 -11.209 -10.682 1.00 1.00 H new ATOM 0 HA ARG A 24 81.452 -12.069 -12.317 1.00 1.00 H new ATOM 0 HB2 ARG A 24 79.774 -13.346 -13.901 1.00 1.00 H new ATOM 0 HB3 ARG A 24 80.489 -14.204 -12.551 1.00 1.00 H new ATOM 0 HG2 ARG A 24 78.493 -13.848 -11.170 1.00 1.00 H new ATOM 0 HG3 ARG A 24 77.803 -12.754 -12.353 1.00 1.00 H new ATOM 0 HD2 ARG A 24 77.511 -14.544 -13.978 1.00 1.00 H new ATOM 0 HD3 ARG A 24 78.500 -15.648 -13.043 1.00 1.00 H new ATOM 0 HE ARG A 24 76.129 -14.647 -11.546 1.00 1.00 H new ATOM 0 HH11 ARG A 24 77.494 -16.970 -13.773 1.00 1.00 H new ATOM 0 HH12 ARG A 24 76.289 -18.211 -13.413 1.00 1.00 H new ATOM 0 HH21 ARG A 24 74.588 -16.234 -11.084 1.00 1.00 H new ATOM 0 HH22 ARG A 24 74.657 -17.798 -11.904 1.00 1.00 H new ATOM 356 N LYS A 25 80.675 -9.996 -13.496 1.00 1.00 N ATOM 357 CA LYS A 25 80.212 -8.836 -14.309 1.00 1.00 C ATOM 358 C LYS A 25 81.388 -8.282 -15.117 1.00 1.00 C ATOM 359 O LYS A 25 82.480 -8.814 -15.084 1.00 1.00 O ATOM 360 CB LYS A 25 79.662 -7.743 -13.386 1.00 1.00 C ATOM 361 CG LYS A 25 80.670 -7.450 -12.273 1.00 1.00 C ATOM 362 CD LYS A 25 80.365 -8.333 -11.062 1.00 1.00 C ATOM 363 CE LYS A 25 81.102 -7.791 -9.836 1.00 1.00 C ATOM 364 NZ LYS A 25 80.353 -6.630 -9.279 1.00 1.00 N ATOM 0 H LYS A 25 81.675 -10.014 -13.297 1.00 1.00 H new ATOM 0 HA LYS A 25 79.423 -9.161 -14.988 1.00 1.00 H new ATOM 0 HB2 LYS A 25 79.464 -6.837 -13.958 1.00 1.00 H new ATOM 0 HB3 LYS A 25 78.713 -8.062 -12.955 1.00 1.00 H new ATOM 0 HG2 LYS A 25 81.684 -7.638 -12.627 1.00 1.00 H new ATOM 0 HG3 LYS A 25 80.621 -6.398 -11.991 1.00 1.00 H new ATOM 0 HD2 LYS A 25 79.291 -8.353 -10.875 1.00 1.00 H new ATOM 0 HD3 LYS A 25 80.673 -9.360 -11.260 1.00 1.00 H new ATOM 0 HE2 LYS A 25 81.197 -8.572 -9.081 1.00 1.00 H new ATOM 0 HE3 LYS A 25 82.112 -7.488 -10.110 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 80.733 -6.390 -8.341 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 80.456 -5.813 -9.914 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 79.346 -6.876 -9.192 1.00 1.00 H new ATOM 378 N GLY A 26 81.177 -7.218 -15.843 1.00 1.00 N ATOM 379 CA GLY A 26 82.288 -6.638 -16.650 1.00 1.00 C ATOM 380 C GLY A 26 81.720 -5.688 -17.708 1.00 1.00 C ATOM 381 O GLY A 26 82.027 -4.512 -17.724 1.00 1.00 O ATOM 0 H GLY A 26 80.286 -6.726 -15.912 1.00 1.00 H new ATOM 0 HA2 GLY A 26 82.980 -6.102 -16.001 1.00 1.00 H new ATOM 0 HA3 GLY A 26 82.855 -7.435 -17.131 1.00 1.00 H new ATOM 385 N PRO A 27 80.901 -6.199 -18.588 1.00 1.00 N ATOM 386 CA PRO A 27 80.279 -5.390 -19.676 1.00 1.00 C ATOM 387 C PRO A 27 79.752 -4.041 -19.166 1.00 1.00 C ATOM 388 O PRO A 27 79.482 -3.880 -17.992 1.00 1.00 O ATOM 389 CB PRO A 27 79.130 -6.275 -20.162 1.00 1.00 C ATOM 390 CG PRO A 27 79.568 -7.673 -19.876 1.00 1.00 C ATOM 391 CD PRO A 27 80.476 -7.608 -18.644 1.00 1.00 C ATOM 0 HA PRO A 27 80.993 -5.135 -20.459 1.00 1.00 H new ATOM 0 HB2 PRO A 27 78.202 -6.038 -19.641 1.00 1.00 H new ATOM 0 HB3 PRO A 27 78.944 -6.130 -21.226 1.00 1.00 H new ATOM 0 HG2 PRO A 27 78.709 -8.317 -19.689 1.00 1.00 H new ATOM 0 HG3 PRO A 27 80.102 -8.093 -20.728 1.00 1.00 H new ATOM 0 HD2 PRO A 27 79.943 -7.900 -17.739 1.00 1.00 H new ATOM 0 HD3 PRO A 27 81.330 -8.279 -18.742 1.00 1.00 H new ATOM 399 N PRO A 28 79.606 -3.078 -20.042 1.00 1.00 N ATOM 400 CA PRO A 28 79.104 -1.726 -19.672 1.00 1.00 C ATOM 401 C PRO A 28 77.948 -1.786 -18.669 1.00 1.00 C ATOM 402 O PRO A 28 76.982 -2.495 -18.863 1.00 1.00 O ATOM 403 CB PRO A 28 78.630 -1.149 -21.006 1.00 1.00 C ATOM 404 CG PRO A 28 79.486 -1.806 -22.040 1.00 1.00 C ATOM 405 CD PRO A 28 79.900 -3.172 -21.481 1.00 1.00 C ATOM 0 HA PRO A 28 79.870 -1.126 -19.181 1.00 1.00 H new ATOM 0 HB2 PRO A 28 77.574 -1.362 -21.175 1.00 1.00 H new ATOM 0 HB3 PRO A 28 78.745 -0.065 -21.030 1.00 1.00 H new ATOM 0 HG2 PRO A 28 78.939 -1.922 -22.976 1.00 1.00 H new ATOM 0 HG3 PRO A 28 80.363 -1.197 -22.257 1.00 1.00 H new ATOM 0 HD2 PRO A 28 79.339 -3.981 -21.950 1.00 1.00 H new ATOM 0 HD3 PRO A 28 80.957 -3.372 -21.659 1.00 1.00 H new ATOM 413 N LYS A 29 78.042 -1.042 -17.599 1.00 1.00 N ATOM 414 CA LYS A 29 76.955 -1.043 -16.576 1.00 1.00 C ATOM 415 C LYS A 29 77.437 -0.264 -15.347 1.00 1.00 C ATOM 416 O LYS A 29 77.661 -0.820 -14.290 1.00 1.00 O ATOM 417 CB LYS A 29 76.609 -2.494 -16.185 1.00 1.00 C ATOM 418 CG LYS A 29 75.200 -2.833 -16.675 1.00 1.00 C ATOM 419 CD LYS A 29 75.012 -4.352 -16.679 1.00 1.00 C ATOM 420 CE LYS A 29 75.490 -4.922 -18.016 1.00 1.00 C ATOM 421 NZ LYS A 29 74.698 -4.318 -19.125 1.00 1.00 N ATOM 0 H LYS A 29 78.830 -0.430 -17.388 1.00 1.00 H new ATOM 0 HA LYS A 29 76.060 -0.570 -16.981 1.00 1.00 H new ATOM 0 HB2 LYS A 29 77.333 -3.182 -16.622 1.00 1.00 H new ATOM 0 HB3 LYS A 29 76.668 -2.614 -15.103 1.00 1.00 H new ATOM 0 HG2 LYS A 29 74.457 -2.366 -16.029 1.00 1.00 H new ATOM 0 HG3 LYS A 29 75.047 -2.434 -17.678 1.00 1.00 H new ATOM 0 HD2 LYS A 29 75.573 -4.801 -15.859 1.00 1.00 H new ATOM 0 HD3 LYS A 29 73.962 -4.600 -16.520 1.00 1.00 H new ATOM 0 HE2 LYS A 29 76.550 -4.711 -18.155 1.00 1.00 H new ATOM 0 HE3 LYS A 29 75.377 -6.006 -18.023 1.00 1.00 H new ATOM 0 HZ1 LYS A 29 74.568 -5.020 -19.881 1.00 1.00 H new ATOM 0 HZ2 LYS A 29 73.768 -4.020 -18.766 1.00 1.00 H new ATOM 0 HZ3 LYS A 29 75.204 -3.492 -19.503 1.00 1.00 H new ATOM 435 N CYS A 30 77.607 1.023 -15.482 1.00 1.00 N ATOM 436 CA CYS A 30 78.081 1.838 -14.329 1.00 1.00 C ATOM 437 C CYS A 30 79.372 1.232 -13.775 1.00 1.00 C ATOM 438 O CYS A 30 79.351 0.247 -13.063 1.00 1.00 O ATOM 439 CB CYS A 30 77.011 1.849 -13.235 1.00 1.00 C ATOM 440 SG CYS A 30 75.383 2.098 -13.985 1.00 1.00 S ATOM 0 H CYS A 30 77.438 1.545 -16.342 1.00 1.00 H new ATOM 0 HA CYS A 30 78.270 2.859 -14.659 1.00 1.00 H new ATOM 0 HB2 CYS A 30 77.029 0.909 -12.684 1.00 1.00 H new ATOM 0 HB3 CYS A 30 77.218 2.643 -12.517 1.00 1.00 H new ATOM 445 N LYS A 31 80.497 1.811 -14.101 1.00 1.00 N ATOM 446 CA LYS A 31 81.795 1.272 -13.600 1.00 1.00 C ATOM 447 C LYS A 31 81.656 0.864 -12.129 1.00 1.00 C ATOM 448 O LYS A 31 80.888 1.437 -11.383 1.00 1.00 O ATOM 449 CB LYS A 31 82.893 2.339 -13.741 1.00 1.00 C ATOM 450 CG LYS A 31 82.266 3.733 -13.677 1.00 1.00 C ATOM 451 CD LYS A 31 81.524 3.900 -12.349 1.00 1.00 C ATOM 452 CE LYS A 31 81.353 5.389 -12.043 1.00 1.00 C ATOM 453 NZ LYS A 31 80.687 6.059 -13.196 1.00 1.00 N ATOM 0 H LYS A 31 80.573 2.637 -14.695 1.00 1.00 H new ATOM 0 HA LYS A 31 82.068 0.397 -14.190 1.00 1.00 H new ATOM 0 HB2 LYS A 31 83.630 2.224 -12.946 1.00 1.00 H new ATOM 0 HB3 LYS A 31 83.421 2.210 -14.686 1.00 1.00 H new ATOM 0 HG2 LYS A 31 83.039 4.496 -13.772 1.00 1.00 H new ATOM 0 HG3 LYS A 31 81.577 3.872 -14.510 1.00 1.00 H new ATOM 0 HD2 LYS A 31 80.549 3.415 -12.401 1.00 1.00 H new ATOM 0 HD3 LYS A 31 82.079 3.414 -11.547 1.00 1.00 H new ATOM 0 HE2 LYS A 31 80.758 5.520 -11.139 1.00 1.00 H new ATOM 0 HE3 LYS A 31 82.324 5.846 -11.854 1.00 1.00 H new ATOM 0 HZ1 LYS A 31 80.298 6.973 -12.889 1.00 1.00 H new ATOM 0 HZ2 LYS A 31 81.381 6.216 -13.955 1.00 1.00 H new ATOM 0 HZ3 LYS A 31 79.917 5.456 -13.550 1.00 1.00 H new ATOM 467 N GLN A 32 82.394 -0.128 -11.709 1.00 1.00 N ATOM 468 CA GLN A 32 82.305 -0.577 -10.291 1.00 1.00 C ATOM 469 C GLN A 32 83.376 -1.637 -10.024 1.00 1.00 C ATOM 470 O GLN A 32 83.451 -2.202 -8.951 1.00 1.00 O ATOM 471 CB GLN A 32 80.920 -1.176 -10.032 1.00 1.00 C ATOM 472 CG GLN A 32 80.575 -2.166 -11.146 1.00 1.00 C ATOM 473 CD GLN A 32 79.250 -2.858 -10.822 1.00 1.00 C ATOM 474 OE1 GLN A 32 79.130 -4.060 -10.954 1.00 1.00 O ATOM 475 NE2 GLN A 32 78.241 -2.145 -10.400 1.00 1.00 N ATOM 0 H GLN A 32 83.055 -0.647 -12.287 1.00 1.00 H new ATOM 0 HA GLN A 32 82.463 0.275 -9.629 1.00 1.00 H new ATOM 0 HB2 GLN A 32 80.905 -1.680 -9.066 1.00 1.00 H new ATOM 0 HB3 GLN A 32 80.172 -0.384 -9.990 1.00 1.00 H new ATOM 0 HG2 GLN A 32 80.501 -1.645 -12.100 1.00 1.00 H new ATOM 0 HG3 GLN A 32 81.369 -2.906 -11.248 1.00 1.00 H new ATOM 0 HE21 GLN A 32 78.341 -1.136 -10.289 1.00 1.00 H new ATOM 0 HE22 GLN A 32 77.353 -2.597 -10.181 1.00 1.00 H new ATOM 484 N ARG A 33 84.206 -1.912 -10.993 1.00 1.00 N ATOM 485 CA ARG A 33 85.271 -2.936 -10.795 1.00 1.00 C ATOM 486 C ARG A 33 86.178 -2.507 -9.638 1.00 1.00 C ATOM 487 O ARG A 33 85.762 -2.467 -8.497 1.00 1.00 O ATOM 488 CB ARG A 33 86.100 -3.064 -12.077 1.00 1.00 C ATOM 489 CG ARG A 33 85.179 -3.400 -13.252 1.00 1.00 C ATOM 490 CD ARG A 33 84.880 -4.900 -13.254 1.00 1.00 C ATOM 491 NE ARG A 33 85.661 -5.561 -14.337 1.00 1.00 N ATOM 492 CZ ARG A 33 85.799 -6.859 -14.343 1.00 1.00 C ATOM 493 NH1 ARG A 33 85.252 -7.578 -13.401 1.00 1.00 N ATOM 494 NH2 ARG A 33 86.483 -7.438 -15.292 1.00 1.00 N ATOM 0 H ARG A 33 84.193 -1.472 -11.913 1.00 1.00 H new ATOM 0 HA ARG A 33 84.815 -3.898 -10.562 1.00 1.00 H new ATOM 0 HB2 ARG A 33 86.631 -2.133 -12.273 1.00 1.00 H new ATOM 0 HB3 ARG A 33 86.854 -3.842 -11.959 1.00 1.00 H new ATOM 0 HG2 ARG A 33 84.251 -2.834 -13.174 1.00 1.00 H new ATOM 0 HG3 ARG A 33 85.650 -3.111 -14.191 1.00 1.00 H new ATOM 0 HD2 ARG A 33 85.138 -5.334 -12.288 1.00 1.00 H new ATOM 0 HD3 ARG A 33 83.814 -5.069 -13.405 1.00 1.00 H new ATOM 0 HE ARG A 33 86.088 -4.999 -15.074 1.00 1.00 H new ATOM 0 HH11 ARG A 33 84.717 -7.126 -12.660 1.00 1.00 H new ATOM 0 HH12 ARG A 33 85.360 -8.592 -13.406 1.00 1.00 H new ATOM 0 HH21 ARG A 33 86.910 -6.876 -16.029 1.00 1.00 H new ATOM 0 HH22 ARG A 33 86.591 -8.452 -15.297 1.00 1.00 H new ATOM 508 N GLN A 34 87.412 -2.182 -9.922 1.00 1.00 N ATOM 509 CA GLN A 34 88.343 -1.751 -8.836 1.00 1.00 C ATOM 510 C GLN A 34 89.170 -0.556 -9.316 1.00 1.00 C ATOM 511 O GLN A 34 90.325 -0.409 -8.968 1.00 1.00 O ATOM 512 CB GLN A 34 89.279 -2.908 -8.465 1.00 1.00 C ATOM 513 CG GLN A 34 89.987 -3.421 -9.721 1.00 1.00 C ATOM 514 CD GLN A 34 89.072 -4.400 -10.459 1.00 1.00 C ATOM 515 OE1 GLN A 34 89.009 -4.393 -11.673 1.00 1.00 O ATOM 516 NE2 GLN A 34 88.354 -5.247 -9.774 1.00 1.00 N ATOM 0 H GLN A 34 87.816 -2.196 -10.859 1.00 1.00 H new ATOM 0 HA GLN A 34 87.764 -1.463 -7.959 1.00 1.00 H new ATOM 0 HB2 GLN A 34 90.014 -2.574 -7.732 1.00 1.00 H new ATOM 0 HB3 GLN A 34 88.711 -3.714 -8.001 1.00 1.00 H new ATOM 0 HG2 GLN A 34 90.245 -2.586 -10.373 1.00 1.00 H new ATOM 0 HG3 GLN A 34 90.921 -3.914 -9.449 1.00 1.00 H new ATOM 0 HE21 GLN A 34 88.407 -5.253 -8.755 1.00 1.00 H new ATOM 0 HE22 GLN A 34 87.740 -5.903 -10.257 1.00 1.00 H new ATOM 525 N THR A 35 88.588 0.299 -10.112 1.00 1.00 N ATOM 526 CA THR A 35 89.342 1.484 -10.612 1.00 1.00 C ATOM 527 C THR A 35 89.338 2.578 -9.542 1.00 1.00 C ATOM 528 O THR A 35 89.764 2.367 -8.424 1.00 1.00 O ATOM 529 CB THR A 35 88.679 2.011 -11.887 1.00 1.00 C ATOM 530 OG1 THR A 35 87.433 2.608 -11.558 1.00 1.00 O ATOM 531 CG2 THR A 35 88.451 0.854 -12.862 1.00 1.00 C ATOM 0 H THR A 35 87.624 0.229 -10.438 1.00 1.00 H new ATOM 0 HA THR A 35 90.370 1.195 -10.832 1.00 1.00 H new ATOM 0 HB THR A 35 89.326 2.753 -12.354 1.00 1.00 H new ATOM 0 HG1 THR A 35 87.008 2.948 -12.373 1.00 1.00 H new ATOM 0 HG21 THR A 35 87.979 1.231 -13.769 1.00 1.00 H new ATOM 0 HG22 THR A 35 89.408 0.396 -13.114 1.00 1.00 H new ATOM 0 HG23 THR A 35 87.804 0.110 -12.398 1.00 1.00 H new ATOM 539 N ARG A 36 88.860 3.747 -9.874 1.00 1.00 N ATOM 540 CA ARG A 36 88.831 4.849 -8.872 1.00 1.00 C ATOM 541 C ARG A 36 88.025 6.026 -9.427 1.00 1.00 C ATOM 542 O ARG A 36 88.456 7.161 -9.381 1.00 1.00 O ATOM 543 CB ARG A 36 90.264 5.305 -8.575 1.00 1.00 C ATOM 544 CG ARG A 36 90.286 6.124 -7.283 1.00 1.00 C ATOM 545 CD ARG A 36 90.440 5.184 -6.085 1.00 1.00 C ATOM 546 NE ARG A 36 91.711 4.419 -6.215 1.00 1.00 N ATOM 547 CZ ARG A 36 91.870 3.301 -5.560 1.00 1.00 C ATOM 548 NH1 ARG A 36 90.915 2.854 -4.791 1.00 1.00 N ATOM 549 NH2 ARG A 36 92.984 2.631 -5.673 1.00 1.00 N ATOM 0 H ARG A 36 88.489 3.985 -10.794 1.00 1.00 H new ATOM 0 HA ARG A 36 88.364 4.493 -7.954 1.00 1.00 H new ATOM 0 HB2 ARG A 36 90.919 4.439 -8.480 1.00 1.00 H new ATOM 0 HB3 ARG A 36 90.645 5.903 -9.403 1.00 1.00 H new ATOM 0 HG2 ARG A 36 91.109 6.838 -7.307 1.00 1.00 H new ATOM 0 HG3 ARG A 36 89.366 6.701 -7.190 1.00 1.00 H new ATOM 0 HD2 ARG A 36 90.441 5.757 -5.158 1.00 1.00 H new ATOM 0 HD3 ARG A 36 89.594 4.499 -6.036 1.00 1.00 H new ATOM 0 HE ARG A 36 92.457 4.769 -6.816 1.00 1.00 H new ATOM 0 HH11 ARG A 36 90.045 3.378 -4.702 1.00 1.00 H new ATOM 0 HH12 ARG A 36 91.039 1.980 -4.279 1.00 1.00 H new ATOM 0 HH21 ARG A 36 93.731 2.981 -6.273 1.00 1.00 H new ATOM 0 HH22 ARG A 36 93.108 1.758 -5.161 1.00 1.00 H new ATOM 563 N GLN A 37 86.858 5.765 -9.949 1.00 1.00 N ATOM 564 CA GLN A 37 86.025 6.869 -10.505 1.00 1.00 C ATOM 565 C GLN A 37 85.191 7.492 -9.383 1.00 1.00 C ATOM 566 O GLN A 37 85.719 7.984 -8.406 1.00 1.00 O ATOM 567 CB GLN A 37 85.096 6.310 -11.585 1.00 1.00 C ATOM 568 CG GLN A 37 85.931 5.776 -12.751 1.00 1.00 C ATOM 569 CD GLN A 37 86.570 6.946 -13.500 1.00 1.00 C ATOM 570 OE1 GLN A 37 87.644 7.393 -13.151 1.00 1.00 O ATOM 571 NE2 GLN A 37 85.949 7.466 -14.524 1.00 1.00 N ATOM 0 H GLN A 37 86.445 4.835 -10.015 1.00 1.00 H new ATOM 0 HA GLN A 37 86.671 7.631 -10.941 1.00 1.00 H new ATOM 0 HB2 GLN A 37 84.478 5.513 -11.171 1.00 1.00 H new ATOM 0 HB3 GLN A 37 84.419 7.089 -11.936 1.00 1.00 H new ATOM 0 HG2 GLN A 37 86.704 5.103 -12.380 1.00 1.00 H new ATOM 0 HG3 GLN A 37 85.302 5.198 -13.428 1.00 1.00 H new ATOM 0 HE21 GLN A 37 85.047 7.091 -14.818 1.00 1.00 H new ATOM 0 HE22 GLN A 37 86.366 8.247 -15.030 1.00 1.00 H new ATOM 580 N CYS A 38 83.892 7.474 -9.513 1.00 1.00 N ATOM 581 CA CYS A 38 83.030 8.065 -8.451 1.00 1.00 C ATOM 582 C CYS A 38 83.520 9.479 -8.127 1.00 1.00 C ATOM 583 O CYS A 38 84.387 9.670 -7.298 1.00 1.00 O ATOM 584 CB CYS A 38 83.102 7.193 -7.194 1.00 1.00 C ATOM 585 SG CYS A 38 82.608 8.169 -5.752 1.00 1.00 S ATOM 0 H CYS A 38 83.391 7.076 -10.308 1.00 1.00 H new ATOM 0 HA CYS A 38 81.998 8.111 -8.800 1.00 1.00 H new ATOM 0 HB2 CYS A 38 82.449 6.327 -7.301 1.00 1.00 H new ATOM 0 HB3 CYS A 38 84.115 6.813 -7.060 1.00 1.00 H new ATOM 590 N LYS A 39 82.970 10.471 -8.774 1.00 1.00 N ATOM 591 CA LYS A 39 83.403 11.871 -8.502 1.00 1.00 C ATOM 592 C LYS A 39 82.637 12.416 -7.294 1.00 1.00 C ATOM 593 O LYS A 39 82.017 11.677 -6.556 1.00 1.00 O ATOM 594 CB LYS A 39 83.112 12.742 -9.726 1.00 1.00 C ATOM 595 CG LYS A 39 83.822 12.160 -10.950 1.00 1.00 C ATOM 596 CD LYS A 39 83.698 13.133 -12.124 1.00 1.00 C ATOM 597 CE LYS A 39 82.337 12.951 -12.797 1.00 1.00 C ATOM 598 NZ LYS A 39 82.193 11.540 -13.254 1.00 1.00 N ATOM 0 H LYS A 39 82.240 10.372 -9.479 1.00 1.00 H new ATOM 0 HA LYS A 39 84.472 11.886 -8.291 1.00 1.00 H new ATOM 0 HB2 LYS A 39 82.038 12.789 -9.904 1.00 1.00 H new ATOM 0 HB3 LYS A 39 83.451 13.763 -9.548 1.00 1.00 H new ATOM 0 HG2 LYS A 39 84.873 11.980 -10.723 1.00 1.00 H new ATOM 0 HG3 LYS A 39 83.384 11.197 -11.214 1.00 1.00 H new ATOM 0 HD2 LYS A 39 83.807 14.159 -11.773 1.00 1.00 H new ATOM 0 HD3 LYS A 39 84.498 12.955 -12.843 1.00 1.00 H new ATOM 0 HE2 LYS A 39 81.538 13.202 -12.099 1.00 1.00 H new ATOM 0 HE3 LYS A 39 82.245 13.630 -13.645 1.00 1.00 H new ATOM 0 HZ1 LYS A 39 81.585 11.508 -14.097 1.00 1.00 H new ATOM 0 HZ2 LYS A 39 83.130 11.154 -13.488 1.00 1.00 H new ATOM 0 HZ3 LYS A 39 81.764 10.972 -12.496 1.00 1.00 H new ATOM 612 N SER A 40 82.675 13.704 -7.087 1.00 1.00 N ATOM 613 CA SER A 40 81.950 14.295 -5.927 1.00 1.00 C ATOM 614 C SER A 40 82.259 13.485 -4.666 1.00 1.00 C ATOM 615 O SER A 40 81.374 12.958 -4.022 1.00 1.00 O ATOM 616 CB SER A 40 80.445 14.265 -6.197 1.00 1.00 C ATOM 617 OG SER A 40 79.958 12.947 -5.986 1.00 1.00 O ATOM 0 H SER A 40 83.177 14.373 -7.671 1.00 1.00 H new ATOM 0 HA SER A 40 82.272 15.326 -5.784 1.00 1.00 H new ATOM 0 HB2 SER A 40 79.931 14.965 -5.538 1.00 1.00 H new ATOM 0 HB3 SER A 40 80.241 14.582 -7.220 1.00 1.00 H new ATOM 0 HG SER A 40 80.689 12.375 -5.671 1.00 1.00 H new ATOM 623 N LYS A 41 83.511 13.380 -4.310 1.00 1.00 N ATOM 624 CA LYS A 41 83.882 12.603 -3.093 1.00 1.00 C ATOM 625 C LYS A 41 83.871 13.533 -1.870 1.00 1.00 C ATOM 626 O LYS A 41 84.664 14.449 -1.786 1.00 1.00 O ATOM 627 CB LYS A 41 85.288 12.026 -3.275 1.00 1.00 C ATOM 628 CG LYS A 41 85.315 11.126 -4.512 1.00 1.00 C ATOM 629 CD LYS A 41 86.765 10.872 -4.928 1.00 1.00 C ATOM 630 CE LYS A 41 87.481 10.085 -3.828 1.00 1.00 C ATOM 631 NZ LYS A 41 88.745 9.512 -4.370 1.00 1.00 N ATOM 0 H LYS A 41 84.294 13.800 -4.811 1.00 1.00 H new ATOM 0 HA LYS A 41 83.167 11.794 -2.943 1.00 1.00 H new ATOM 0 HB2 LYS A 41 86.012 12.833 -3.384 1.00 1.00 H new ATOM 0 HB3 LYS A 41 85.576 11.456 -2.391 1.00 1.00 H new ATOM 0 HG2 LYS A 41 84.816 10.181 -4.298 1.00 1.00 H new ATOM 0 HG3 LYS A 41 84.768 11.597 -5.329 1.00 1.00 H new ATOM 0 HD2 LYS A 41 86.794 10.316 -5.865 1.00 1.00 H new ATOM 0 HD3 LYS A 41 87.275 11.819 -5.103 1.00 1.00 H new ATOM 0 HE2 LYS A 41 87.698 10.737 -2.982 1.00 1.00 H new ATOM 0 HE3 LYS A 41 86.837 9.287 -3.458 1.00 1.00 H new ATOM 0 HZ1 LYS A 41 89.232 8.977 -3.623 1.00 1.00 H new ATOM 0 HZ2 LYS A 41 88.526 8.877 -5.164 1.00 1.00 H new ATOM 0 HZ3 LYS A 41 89.361 10.282 -4.702 1.00 1.00 H new ATOM 645 N PRO A 42 82.984 13.309 -0.927 1.00 1.00 N ATOM 646 CA PRO A 42 82.894 14.156 0.296 1.00 1.00 C ATOM 647 C PRO A 42 83.962 13.787 1.334 1.00 1.00 C ATOM 648 O PRO A 42 84.517 12.707 1.304 1.00 1.00 O ATOM 649 CB PRO A 42 81.493 13.855 0.831 1.00 1.00 C ATOM 650 CG PRO A 42 81.202 12.459 0.384 1.00 1.00 C ATOM 651 CD PRO A 42 81.976 12.236 -0.921 1.00 1.00 C ATOM 0 HA PRO A 42 83.061 15.211 0.080 1.00 1.00 H new ATOM 0 HB2 PRO A 42 81.459 13.937 1.917 1.00 1.00 H new ATOM 0 HB3 PRO A 42 80.760 14.558 0.435 1.00 1.00 H new ATOM 0 HG2 PRO A 42 81.509 11.739 1.143 1.00 1.00 H new ATOM 0 HG3 PRO A 42 80.132 12.319 0.227 1.00 1.00 H new ATOM 0 HD2 PRO A 42 82.442 11.251 -0.945 1.00 1.00 H new ATOM 0 HD3 PRO A 42 81.320 12.300 -1.789 1.00 1.00 H new ATOM 659 N PRO A 43 84.244 14.680 2.247 1.00 1.00 N ATOM 660 CA PRO A 43 85.262 14.448 3.314 1.00 1.00 C ATOM 661 C PRO A 43 84.789 13.420 4.349 1.00 1.00 C ATOM 662 O PRO A 43 83.709 13.528 4.896 1.00 1.00 O ATOM 663 CB PRO A 43 85.433 15.826 3.962 1.00 1.00 C ATOM 664 CG PRO A 43 84.153 16.545 3.695 1.00 1.00 C ATOM 665 CD PRO A 43 83.621 16.008 2.365 1.00 1.00 C ATOM 0 HA PRO A 43 86.189 14.042 2.910 1.00 1.00 H new ATOM 0 HB2 PRO A 43 85.619 15.738 5.032 1.00 1.00 H new ATOM 0 HB3 PRO A 43 86.281 16.360 3.534 1.00 1.00 H new ATOM 0 HG2 PRO A 43 83.436 16.372 4.498 1.00 1.00 H new ATOM 0 HG3 PRO A 43 84.317 17.621 3.641 1.00 1.00 H new ATOM 0 HD2 PRO A 43 82.533 15.940 2.368 1.00 1.00 H new ATOM 0 HD3 PRO A 43 83.898 16.655 1.533 1.00 1.00 H new ATOM 673 N LYS A 44 85.589 12.426 4.621 1.00 1.00 N ATOM 674 CA LYS A 44 85.185 11.396 5.619 1.00 1.00 C ATOM 675 C LYS A 44 84.719 12.086 6.903 1.00 1.00 C ATOM 676 O LYS A 44 83.875 11.583 7.618 1.00 1.00 O ATOM 677 CB LYS A 44 86.378 10.491 5.932 1.00 1.00 C ATOM 678 CG LYS A 44 85.912 9.304 6.778 1.00 1.00 C ATOM 679 CD LYS A 44 87.111 8.418 7.120 1.00 1.00 C ATOM 680 CE LYS A 44 87.813 8.966 8.364 1.00 1.00 C ATOM 681 NZ LYS A 44 88.896 8.029 8.776 1.00 1.00 N ATOM 0 H LYS A 44 86.505 12.283 4.195 1.00 1.00 H new ATOM 0 HA LYS A 44 84.371 10.796 5.212 1.00 1.00 H new ATOM 0 HB2 LYS A 44 86.831 10.136 5.006 1.00 1.00 H new ATOM 0 HB3 LYS A 44 87.144 11.053 6.466 1.00 1.00 H new ATOM 0 HG2 LYS A 44 85.437 9.660 7.692 1.00 1.00 H new ATOM 0 HG3 LYS A 44 85.164 8.727 6.234 1.00 1.00 H new ATOM 0 HD2 LYS A 44 86.781 7.394 7.297 1.00 1.00 H new ATOM 0 HD3 LYS A 44 87.806 8.389 6.281 1.00 1.00 H new ATOM 0 HE2 LYS A 44 88.230 9.951 8.155 1.00 1.00 H new ATOM 0 HE3 LYS A 44 87.095 9.089 9.175 1.00 1.00 H new ATOM 0 HZ1 LYS A 44 89.374 8.401 9.622 1.00 1.00 H new ATOM 0 HZ2 LYS A 44 88.486 7.098 8.991 1.00 1.00 H new ATOM 0 HZ3 LYS A 44 89.585 7.934 8.003 1.00 1.00 H new ATOM 695 N LYS A 45 85.262 13.234 7.201 1.00 1.00 N ATOM 696 CA LYS A 45 84.849 13.954 8.439 1.00 1.00 C ATOM 697 C LYS A 45 83.342 14.220 8.393 1.00 1.00 C ATOM 698 O LYS A 45 82.890 15.185 7.809 1.00 1.00 O ATOM 699 CB LYS A 45 85.607 15.284 8.532 1.00 1.00 C ATOM 700 CG LYS A 45 85.708 15.715 9.996 1.00 1.00 C ATOM 701 CD LYS A 45 84.303 15.853 10.586 1.00 1.00 C ATOM 702 CE LYS A 45 84.367 16.682 11.871 1.00 1.00 C ATOM 703 NZ LYS A 45 83.070 16.575 12.596 1.00 1.00 N ATOM 0 H LYS A 45 85.973 13.705 6.641 1.00 1.00 H new ATOM 0 HA LYS A 45 85.082 13.345 9.312 1.00 1.00 H new ATOM 0 HB2 LYS A 45 86.604 15.177 8.104 1.00 1.00 H new ATOM 0 HB3 LYS A 45 85.092 16.049 7.952 1.00 1.00 H new ATOM 0 HG2 LYS A 45 86.282 14.982 10.563 1.00 1.00 H new ATOM 0 HG3 LYS A 45 86.240 16.663 10.071 1.00 1.00 H new ATOM 0 HD2 LYS A 45 83.640 16.331 9.865 1.00 1.00 H new ATOM 0 HD3 LYS A 45 83.887 14.868 10.797 1.00 1.00 H new ATOM 0 HE2 LYS A 45 85.180 16.328 12.505 1.00 1.00 H new ATOM 0 HE3 LYS A 45 84.578 17.725 11.634 1.00 1.00 H new ATOM 0 HZ1 LYS A 45 83.113 17.138 13.469 1.00 1.00 H new ATOM 0 HZ2 LYS A 45 82.303 16.933 11.991 1.00 1.00 H new ATOM 0 HZ3 LYS A 45 82.887 15.579 12.835 1.00 1.00 H new ATOM 717 N GLY A 46 82.562 13.372 9.004 1.00 1.00 N ATOM 718 CA GLY A 46 81.086 13.577 8.995 1.00 1.00 C ATOM 719 C GLY A 46 80.453 12.782 10.138 1.00 1.00 C ATOM 720 O GLY A 46 80.899 11.705 10.481 1.00 1.00 O ATOM 0 H GLY A 46 82.883 12.546 9.509 1.00 1.00 H new ATOM 0 HA2 GLY A 46 80.855 14.637 9.103 1.00 1.00 H new ATOM 0 HA3 GLY A 46 80.669 13.256 8.040 1.00 1.00 H new ATOM 724 N VAL A 47 79.414 13.305 10.732 1.00 1.00 N ATOM 725 CA VAL A 47 78.749 12.582 11.854 1.00 1.00 C ATOM 726 C VAL A 47 77.242 12.837 11.798 1.00 1.00 C ATOM 727 O VAL A 47 76.785 13.765 11.161 1.00 1.00 O ATOM 728 CB VAL A 47 79.304 13.090 13.187 1.00 1.00 C ATOM 729 CG1 VAL A 47 78.922 12.117 14.304 1.00 1.00 C ATOM 730 CG2 VAL A 47 80.828 13.189 13.099 1.00 1.00 C ATOM 0 H VAL A 47 78.997 14.203 10.488 1.00 1.00 H new ATOM 0 HA VAL A 47 78.941 11.513 11.765 1.00 1.00 H new ATOM 0 HB VAL A 47 78.886 14.073 13.403 1.00 1.00 H new ATOM 0 HG11 VAL A 47 79.317 12.479 15.253 1.00 1.00 H new ATOM 0 HG12 VAL A 47 77.836 12.044 14.367 1.00 1.00 H new ATOM 0 HG13 VAL A 47 79.340 11.134 14.089 1.00 1.00 H new ATOM 0 HG21 VAL A 47 81.224 13.551 14.048 1.00 1.00 H new ATOM 0 HG22 VAL A 47 81.245 12.205 12.883 1.00 1.00 H new ATOM 0 HG23 VAL A 47 81.102 13.882 12.303 1.00 1.00 H new ATOM 740 N GLN A 48 76.468 12.019 12.457 1.00 1.00 N ATOM 741 CA GLN A 48 74.990 12.212 12.440 1.00 1.00 C ATOM 742 C GLN A 48 74.463 11.990 11.020 1.00 1.00 C ATOM 743 O GLN A 48 73.774 11.027 10.747 1.00 1.00 O ATOM 744 CB GLN A 48 74.654 13.636 12.899 1.00 1.00 C ATOM 745 CG GLN A 48 73.232 13.669 13.463 1.00 1.00 C ATOM 746 CD GLN A 48 72.909 15.082 13.952 1.00 1.00 C ATOM 747 OE1 GLN A 48 73.884 15.880 14.294 1.00 1.00 O flip ATOM 748 NE2 GLN A 48 71.758 15.465 14.024 1.00 1.00 N flip ATOM 0 H GLN A 48 76.795 11.225 13.007 1.00 1.00 H new ATOM 0 HA GLN A 48 74.521 11.496 13.115 1.00 1.00 H new ATOM 0 HB2 GLN A 48 75.365 13.962 13.658 1.00 1.00 H new ATOM 0 HB3 GLN A 48 74.741 14.329 12.062 1.00 1.00 H new ATOM 0 HG2 GLN A 48 72.518 13.366 12.697 1.00 1.00 H new ATOM 0 HG3 GLN A 48 73.139 12.958 14.284 1.00 1.00 H new ATOM 0 HE21 GLN A 48 70.996 14.842 13.757 1.00 1.00 H new ATOM 0 HE22 GLN A 48 71.554 16.409 14.351 1.00 1.00 H new ATOM 757 N GLY A 49 74.781 12.874 10.113 1.00 1.00 N ATOM 758 CA GLY A 49 74.299 12.714 8.711 1.00 1.00 C ATOM 759 C GLY A 49 74.110 14.092 8.075 1.00 1.00 C ATOM 760 O GLY A 49 74.123 15.104 8.748 1.00 1.00 O ATOM 0 H GLY A 49 75.354 13.701 10.283 1.00 1.00 H new ATOM 0 HA2 GLY A 49 75.016 12.131 8.133 1.00 1.00 H new ATOM 0 HA3 GLY A 49 73.358 12.164 8.699 1.00 1.00 H new ATOM 764 N CYS A 50 73.934 14.141 6.783 1.00 1.00 N ATOM 765 CA CYS A 50 73.744 15.455 6.106 1.00 1.00 C ATOM 766 C CYS A 50 72.330 15.972 6.387 1.00 1.00 C ATOM 767 O CYS A 50 72.123 16.801 7.250 1.00 1.00 O ATOM 768 CB CYS A 50 73.938 15.283 4.596 1.00 1.00 C ATOM 769 SG CYS A 50 73.493 13.594 4.120 1.00 1.00 S ATOM 0 H CYS A 50 73.914 13.328 6.167 1.00 1.00 H new ATOM 0 HA CYS A 50 74.474 16.171 6.485 1.00 1.00 H new ATOM 0 HB2 CYS A 50 73.320 16.000 4.055 1.00 1.00 H new ATOM 0 HB3 CYS A 50 74.974 15.488 4.326 1.00 1.00 H new ATOM 774 N GLY A 51 71.357 15.489 5.664 1.00 1.00 N ATOM 775 CA GLY A 51 69.959 15.953 5.891 1.00 1.00 C ATOM 776 C GLY A 51 69.124 15.695 4.636 1.00 1.00 C ATOM 777 O GLY A 51 69.121 16.481 3.709 1.00 1.00 O ATOM 0 H GLY A 51 71.469 14.794 4.926 1.00 1.00 H new ATOM 0 HA2 GLY A 51 69.525 15.430 6.743 1.00 1.00 H new ATOM 0 HA3 GLY A 51 69.952 17.016 6.133 1.00 1.00 H new ATOM 781 N ASP A 52 68.416 14.600 4.598 1.00 1.00 N ATOM 782 CA ASP A 52 67.581 14.292 3.402 1.00 1.00 C ATOM 783 C ASP A 52 66.448 13.345 3.801 1.00 1.00 C ATOM 784 O ASP A 52 66.476 12.734 4.851 1.00 1.00 O ATOM 785 CB ASP A 52 68.449 13.625 2.332 1.00 1.00 C ATOM 786 CG ASP A 52 69.511 14.614 1.847 1.00 1.00 C ATOM 787 OD1 ASP A 52 69.152 15.536 1.134 1.00 1.00 O ATOM 788 OD2 ASP A 52 70.665 14.432 2.197 1.00 1.00 O ATOM 0 H ASP A 52 68.379 13.905 5.343 1.00 1.00 H new ATOM 0 HA ASP A 52 67.160 15.216 3.005 1.00 1.00 H new ATOM 0 HB2 ASP A 52 68.926 12.734 2.739 1.00 1.00 H new ATOM 0 HB3 ASP A 52 67.829 13.301 1.496 1.00 1.00 H new ATOM 793 N ASP A 53 65.450 13.217 2.970 1.00 1.00 N ATOM 794 CA ASP A 53 64.316 12.309 3.300 1.00 1.00 C ATOM 795 C ASP A 53 63.567 11.944 2.017 1.00 1.00 C ATOM 796 O ASP A 53 62.392 11.636 2.039 1.00 1.00 O ATOM 797 CB ASP A 53 63.361 13.015 4.265 1.00 1.00 C ATOM 798 CG ASP A 53 62.847 14.305 3.623 1.00 1.00 C ATOM 799 OD1 ASP A 53 62.145 14.210 2.630 1.00 1.00 O ATOM 800 OD2 ASP A 53 63.165 15.366 4.135 1.00 1.00 O ATOM 0 H ASP A 53 65.371 13.702 2.076 1.00 1.00 H new ATOM 0 HA ASP A 53 64.700 11.402 3.768 1.00 1.00 H new ATOM 0 HB2 ASP A 53 62.525 12.360 4.510 1.00 1.00 H new ATOM 0 HB3 ASP A 53 63.873 13.241 5.200 1.00 1.00 H new ATOM 805 N ILE A 54 64.243 11.977 0.898 1.00 1.00 N ATOM 806 CA ILE A 54 63.581 11.632 -0.396 1.00 1.00 C ATOM 807 C ILE A 54 64.390 10.537 -1.097 1.00 1.00 C ATOM 808 O ILE A 54 65.154 10.805 -2.003 1.00 1.00 O ATOM 809 CB ILE A 54 63.534 12.876 -1.291 1.00 1.00 C ATOM 810 CG1 ILE A 54 62.887 14.031 -0.523 1.00 1.00 C ATOM 811 CG2 ILE A 54 62.710 12.574 -2.544 1.00 1.00 C ATOM 812 CD1 ILE A 54 61.364 13.908 -0.605 1.00 1.00 C ATOM 0 H ILE A 54 65.229 12.229 0.824 1.00 1.00 H new ATOM 0 HA ILE A 54 62.567 11.279 -0.207 1.00 1.00 H new ATOM 0 HB ILE A 54 64.548 13.153 -1.581 1.00 1.00 H new ATOM 0 HG12 ILE A 54 63.208 14.015 0.518 1.00 1.00 H new ATOM 0 HG13 ILE A 54 63.209 14.985 -0.941 1.00 1.00 H new ATOM 0 HG21 ILE A 54 62.677 13.459 -3.180 1.00 1.00 H new ATOM 0 HG22 ILE A 54 63.169 11.751 -3.091 1.00 1.00 H new ATOM 0 HG23 ILE A 54 61.696 12.297 -2.255 1.00 1.00 H new ATOM 0 HD11 ILE A 54 60.903 14.730 -0.058 1.00 1.00 H new ATOM 0 HD12 ILE A 54 61.052 13.946 -1.649 1.00 1.00 H new ATOM 0 HD13 ILE A 54 61.051 12.960 -0.167 1.00 1.00 H new ATOM 824 N PRO A 55 64.224 9.310 -0.676 1.00 1.00 N ATOM 825 CA PRO A 55 64.949 8.151 -1.263 1.00 1.00 C ATOM 826 C PRO A 55 64.265 7.612 -2.524 1.00 1.00 C ATOM 827 O PRO A 55 63.055 7.517 -2.595 1.00 1.00 O ATOM 828 CB PRO A 55 64.905 7.114 -0.141 1.00 1.00 C ATOM 829 CG PRO A 55 63.639 7.398 0.600 1.00 1.00 C ATOM 830 CD PRO A 55 63.328 8.888 0.413 1.00 1.00 C ATOM 0 HA PRO A 55 65.957 8.414 -1.583 1.00 1.00 H new ATOM 0 HB2 PRO A 55 64.909 6.100 -0.541 1.00 1.00 H new ATOM 0 HB3 PRO A 55 65.773 7.203 0.512 1.00 1.00 H new ATOM 0 HG2 PRO A 55 62.824 6.784 0.218 1.00 1.00 H new ATOM 0 HG3 PRO A 55 63.750 7.158 1.657 1.00 1.00 H new ATOM 0 HD2 PRO A 55 62.282 9.047 0.152 1.00 1.00 H new ATOM 0 HD3 PRO A 55 63.518 9.452 1.326 1.00 1.00 H new ATOM 838 N GLY A 56 65.032 7.256 -3.519 1.00 1.00 N ATOM 839 CA GLY A 56 64.428 6.720 -4.772 1.00 1.00 C ATOM 840 C GLY A 56 63.888 7.872 -5.620 1.00 1.00 C ATOM 841 O GLY A 56 64.340 8.109 -6.722 1.00 1.00 O ATOM 0 H GLY A 56 66.050 7.313 -3.518 1.00 1.00 H new ATOM 0 HA2 GLY A 56 65.174 6.160 -5.336 1.00 1.00 H new ATOM 0 HA3 GLY A 56 63.623 6.026 -4.531 1.00 1.00 H new ATOM 845 N MET A 57 62.921 8.590 -5.117 1.00 1.00 N ATOM 846 CA MET A 57 62.350 9.724 -5.898 1.00 1.00 C ATOM 847 C MET A 57 63.488 10.582 -6.460 1.00 1.00 C ATOM 848 O MET A 57 63.544 10.856 -7.642 1.00 1.00 O ATOM 849 CB MET A 57 61.458 10.575 -4.982 1.00 1.00 C ATOM 850 CG MET A 57 59.994 10.180 -5.184 1.00 1.00 C ATOM 851 SD MET A 57 59.449 10.703 -6.829 1.00 1.00 S ATOM 852 CE MET A 57 57.699 10.927 -6.428 1.00 1.00 C ATOM 0 H MET A 57 62.502 8.440 -4.199 1.00 1.00 H new ATOM 0 HA MET A 57 61.753 9.337 -6.724 1.00 1.00 H new ATOM 0 HB2 MET A 57 61.744 10.429 -3.940 1.00 1.00 H new ATOM 0 HB3 MET A 57 61.594 11.633 -5.205 1.00 1.00 H new ATOM 0 HG2 MET A 57 59.879 9.101 -5.077 1.00 1.00 H new ATOM 0 HG3 MET A 57 59.372 10.644 -4.419 1.00 1.00 H new ATOM 0 HE1 MET A 57 57.161 11.255 -7.317 1.00 1.00 H new ATOM 0 HE2 MET A 57 57.282 9.982 -6.080 1.00 1.00 H new ATOM 0 HE3 MET A 57 57.598 11.679 -5.645 1.00 1.00 H new ATOM 862 N GLU A 58 64.394 11.010 -5.624 1.00 1.00 N ATOM 863 CA GLU A 58 65.522 11.850 -6.119 1.00 1.00 C ATOM 864 C GLU A 58 66.673 11.812 -5.112 1.00 1.00 C ATOM 865 O GLU A 58 66.466 11.817 -3.915 1.00 1.00 O ATOM 866 CB GLU A 58 65.043 13.294 -6.291 1.00 1.00 C ATOM 867 CG GLU A 58 66.114 14.104 -7.024 1.00 1.00 C ATOM 868 CD GLU A 58 66.201 13.639 -8.478 1.00 1.00 C ATOM 869 OE1 GLU A 58 65.346 14.028 -9.256 1.00 1.00 O ATOM 870 OE2 GLU A 58 67.122 12.901 -8.790 1.00 1.00 O ATOM 0 H GLU A 58 64.403 10.815 -4.623 1.00 1.00 H new ATOM 0 HA GLU A 58 65.868 11.463 -7.077 1.00 1.00 H new ATOM 0 HB2 GLU A 58 64.109 13.314 -6.853 1.00 1.00 H new ATOM 0 HB3 GLU A 58 64.839 13.739 -5.317 1.00 1.00 H new ATOM 0 HG2 GLU A 58 65.872 15.166 -6.985 1.00 1.00 H new ATOM 0 HG3 GLU A 58 67.079 13.979 -6.533 1.00 1.00 H new ATOM 877 N GLY A 59 67.888 11.777 -5.590 1.00 1.00 N ATOM 878 CA GLY A 59 69.055 11.742 -4.663 1.00 1.00 C ATOM 879 C GLY A 59 68.930 10.542 -3.723 1.00 1.00 C ATOM 880 O GLY A 59 68.004 9.761 -3.815 1.00 1.00 O ATOM 0 H GLY A 59 68.122 11.771 -6.583 1.00 1.00 H new ATOM 0 HA2 GLY A 59 69.982 11.675 -5.232 1.00 1.00 H new ATOM 0 HA3 GLY A 59 69.101 12.665 -4.086 1.00 1.00 H new ATOM 884 N CYS A 60 69.857 10.391 -2.817 1.00 1.00 N ATOM 885 CA CYS A 60 69.795 9.243 -1.869 1.00 1.00 C ATOM 886 C CYS A 60 70.588 9.585 -0.605 1.00 1.00 C ATOM 887 O CYS A 60 70.912 8.724 0.188 1.00 1.00 O ATOM 888 CB CYS A 60 70.399 8.002 -2.529 1.00 1.00 C ATOM 889 SG CYS A 60 72.181 8.237 -2.742 1.00 1.00 S ATOM 0 HA CYS A 60 68.756 9.044 -1.606 1.00 1.00 H new ATOM 0 HB2 CYS A 60 70.209 7.122 -1.915 1.00 1.00 H new ATOM 0 HB3 CYS A 60 69.927 7.825 -3.495 1.00 1.00 H new ATOM 894 N GLY A 61 70.901 10.838 -0.412 1.00 1.00 N ATOM 895 CA GLY A 61 71.672 11.236 0.799 1.00 1.00 C ATOM 896 C GLY A 61 71.046 10.595 2.039 1.00 1.00 C ATOM 897 O GLY A 61 71.665 10.499 3.080 1.00 1.00 O ATOM 0 HA2 GLY A 61 72.711 10.922 0.700 1.00 1.00 H new ATOM 0 HA3 GLY A 61 71.675 12.321 0.900 1.00 1.00 H new ATOM 901 N THR A 62 69.823 10.152 1.935 1.00 1.00 N ATOM 902 CA THR A 62 69.158 9.516 3.107 1.00 1.00 C ATOM 903 C THR A 62 70.092 8.466 3.713 1.00 1.00 C ATOM 904 O THR A 62 70.094 7.319 3.314 1.00 1.00 O ATOM 905 CB THR A 62 67.859 8.845 2.655 1.00 1.00 C ATOM 906 OG1 THR A 62 68.129 7.990 1.554 1.00 1.00 O ATOM 907 CG2 THR A 62 66.848 9.914 2.238 1.00 1.00 C ATOM 0 H THR A 62 69.256 10.203 1.089 1.00 1.00 H new ATOM 0 HA THR A 62 68.932 10.276 3.854 1.00 1.00 H new ATOM 0 HB THR A 62 67.446 8.260 3.477 1.00 1.00 H new ATOM 0 HG1 THR A 62 67.924 7.064 1.801 1.00 1.00 H new ATOM 0 HG21 THR A 62 65.923 9.435 1.916 1.00 1.00 H new ATOM 0 HG22 THR A 62 66.642 10.569 3.084 1.00 1.00 H new ATOM 0 HG23 THR A 62 67.257 10.501 1.416 1.00 1.00 H new ATOM 915 N ASP A 63 70.886 8.851 4.674 1.00 1.00 N ATOM 916 CA ASP A 63 71.821 7.876 5.304 1.00 1.00 C ATOM 917 C ASP A 63 71.022 6.843 6.101 1.00 1.00 C ATOM 918 O ASP A 63 71.577 6.045 6.829 1.00 1.00 O ATOM 919 CB ASP A 63 72.774 8.617 6.243 1.00 1.00 C ATOM 920 CG ASP A 63 73.927 7.691 6.636 1.00 1.00 C ATOM 921 OD1 ASP A 63 73.724 6.864 7.510 1.00 1.00 O ATOM 922 OD2 ASP A 63 74.992 7.825 6.057 1.00 1.00 O ATOM 0 H ASP A 63 70.928 9.798 5.050 1.00 1.00 H new ATOM 0 HA ASP A 63 72.395 7.371 4.527 1.00 1.00 H new ATOM 0 HB2 ASP A 63 73.162 9.510 5.754 1.00 1.00 H new ATOM 0 HB3 ASP A 63 72.240 8.948 7.134 1.00 1.00 H new ATOM 927 N ILE A 64 69.722 6.852 5.970 1.00 1.00 N ATOM 928 CA ILE A 64 68.885 5.869 6.721 1.00 1.00 C ATOM 929 C ILE A 64 67.745 5.385 5.832 1.00 1.00 C ATOM 930 O ILE A 64 67.390 4.223 5.837 1.00 1.00 O ATOM 931 CB ILE A 64 68.278 6.537 7.955 1.00 1.00 C ATOM 932 CG1 ILE A 64 69.400 6.995 8.889 1.00 1.00 C ATOM 933 CG2 ILE A 64 67.381 5.538 8.688 1.00 1.00 C ATOM 934 CD1 ILE A 64 68.809 7.829 10.027 1.00 1.00 C ATOM 0 H ILE A 64 69.203 7.498 5.375 1.00 1.00 H new ATOM 0 HA ILE A 64 69.515 5.031 7.021 1.00 1.00 H new ATOM 0 HB ILE A 64 67.685 7.398 7.647 1.00 1.00 H new ATOM 0 HG12 ILE A 64 69.927 6.130 9.293 1.00 1.00 H new ATOM 0 HG13 ILE A 64 70.131 7.583 8.335 1.00 1.00 H new ATOM 0 HG21 ILE A 64 66.949 6.015 9.568 1.00 1.00 H new ATOM 0 HG22 ILE A 64 66.582 5.210 8.023 1.00 1.00 H new ATOM 0 HG23 ILE A 64 67.973 4.676 8.996 1.00 1.00 H new ATOM 0 HD11 ILE A 64 69.608 8.155 10.692 1.00 1.00 H new ATOM 0 HD12 ILE A 64 68.302 8.701 9.614 1.00 1.00 H new ATOM 0 HD13 ILE A 64 68.094 7.226 10.587 1.00 1.00 H new ATOM 946 N THR A 65 67.152 6.272 5.083 1.00 1.00 N ATOM 947 CA THR A 65 66.016 5.866 4.213 1.00 1.00 C ATOM 948 C THR A 65 65.051 5.027 5.048 1.00 1.00 C ATOM 949 O THR A 65 64.707 3.920 4.692 1.00 1.00 O ATOM 950 CB THR A 65 66.539 5.037 3.034 1.00 1.00 C ATOM 951 OG1 THR A 65 67.366 5.851 2.215 1.00 1.00 O ATOM 952 CG2 THR A 65 65.360 4.514 2.212 1.00 1.00 C ATOM 0 H THR A 65 67.405 7.259 5.036 1.00 1.00 H new ATOM 0 HA THR A 65 65.506 6.747 3.822 1.00 1.00 H new ATOM 0 HB THR A 65 67.118 4.194 3.411 1.00 1.00 H new ATOM 0 HG1 THR A 65 67.572 5.376 1.383 1.00 1.00 H new ATOM 0 HG21 THR A 65 65.733 3.925 1.374 1.00 1.00 H new ATOM 0 HG22 THR A 65 64.726 3.889 2.841 1.00 1.00 H new ATOM 0 HG23 THR A 65 64.779 5.355 1.834 1.00 1.00 H new ATOM 960 N VAL A 66 64.633 5.547 6.173 1.00 1.00 N ATOM 961 CA VAL A 66 63.711 4.784 7.060 1.00 1.00 C ATOM 962 C VAL A 66 64.451 3.555 7.586 1.00 1.00 C ATOM 963 O VAL A 66 64.735 3.441 8.761 1.00 1.00 O ATOM 964 CB VAL A 66 62.467 4.346 6.277 1.00 1.00 C ATOM 965 CG1 VAL A 66 61.364 3.940 7.256 1.00 1.00 C ATOM 966 CG2 VAL A 66 61.976 5.508 5.411 1.00 1.00 C ATOM 0 H VAL A 66 64.893 6.472 6.515 1.00 1.00 H new ATOM 0 HA VAL A 66 63.392 5.414 7.891 1.00 1.00 H new ATOM 0 HB VAL A 66 62.718 3.497 5.641 1.00 1.00 H new ATOM 0 HG11 VAL A 66 60.480 3.629 6.699 1.00 1.00 H new ATOM 0 HG12 VAL A 66 61.713 3.113 7.875 1.00 1.00 H new ATOM 0 HG13 VAL A 66 61.112 4.788 7.892 1.00 1.00 H new ATOM 0 HG21 VAL A 66 61.092 5.198 4.854 1.00 1.00 H new ATOM 0 HG22 VAL A 66 61.725 6.356 6.048 1.00 1.00 H new ATOM 0 HG23 VAL A 66 62.761 5.799 4.713 1.00 1.00 H new ATOM 976 N ILE A 67 64.779 2.642 6.713 1.00 1.00 N ATOM 977 CA ILE A 67 65.519 1.416 7.131 1.00 1.00 C ATOM 978 C ILE A 67 66.635 1.144 6.119 1.00 1.00 C ATOM 979 O ILE A 67 66.431 0.476 5.125 1.00 1.00 O ATOM 980 CB ILE A 67 64.559 0.223 7.168 1.00 1.00 C ATOM 981 CG1 ILE A 67 63.572 0.400 8.324 1.00 1.00 C ATOM 982 CG2 ILE A 67 65.355 -1.067 7.372 1.00 1.00 C ATOM 983 CD1 ILE A 67 64.337 0.437 9.648 1.00 1.00 C ATOM 0 H ILE A 67 64.564 2.693 5.717 1.00 1.00 H new ATOM 0 HA ILE A 67 65.945 1.562 8.124 1.00 1.00 H new ATOM 0 HB ILE A 67 64.012 0.167 6.227 1.00 1.00 H new ATOM 0 HG12 ILE A 67 63.005 1.322 8.194 1.00 1.00 H new ATOM 0 HG13 ILE A 67 62.853 -0.419 8.330 1.00 1.00 H new ATOM 0 HG21 ILE A 67 64.672 -1.916 7.398 1.00 1.00 H new ATOM 0 HG22 ILE A 67 66.060 -1.194 6.550 1.00 1.00 H new ATOM 0 HG23 ILE A 67 65.902 -1.012 8.313 1.00 1.00 H new ATOM 0 HD11 ILE A 67 63.634 0.563 10.471 1.00 1.00 H new ATOM 0 HD12 ILE A 67 64.884 -0.497 9.778 1.00 1.00 H new ATOM 0 HD13 ILE A 67 65.039 1.271 9.639 1.00 1.00 H new ATOM 995 N CYS A 68 67.810 1.654 6.358 1.00 1.00 N ATOM 996 CA CYS A 68 68.926 1.418 5.399 1.00 1.00 C ATOM 997 C CYS A 68 69.436 -0.017 5.559 1.00 1.00 C ATOM 998 O CYS A 68 69.279 -0.627 6.599 1.00 1.00 O ATOM 999 CB CYS A 68 70.064 2.405 5.683 1.00 1.00 C ATOM 1000 SG CYS A 68 69.891 3.850 4.607 1.00 1.00 S ATOM 0 H CYS A 68 68.046 2.222 7.172 1.00 1.00 H new ATOM 0 HA CYS A 68 68.569 1.565 4.380 1.00 1.00 H new ATOM 0 HB2 CYS A 68 70.041 2.712 6.729 1.00 1.00 H new ATOM 0 HB3 CYS A 68 71.028 1.925 5.513 1.00 1.00 H new ATOM 1005 N PRO A 69 70.042 -0.555 4.532 1.00 1.00 N ATOM 1006 CA PRO A 69 70.583 -1.947 4.555 1.00 1.00 C ATOM 1007 C PRO A 69 71.756 -2.096 5.529 1.00 1.00 C ATOM 1008 O PRO A 69 72.243 -3.183 5.765 1.00 1.00 O ATOM 1009 CB PRO A 69 71.045 -2.189 3.111 1.00 1.00 C ATOM 1010 CG PRO A 69 71.261 -0.831 2.530 1.00 1.00 C ATOM 1011 CD PRO A 69 70.281 0.106 3.239 1.00 1.00 C ATOM 0 HA PRO A 69 69.836 -2.665 4.894 1.00 1.00 H new ATOM 0 HB2 PRO A 69 71.962 -2.777 3.086 1.00 1.00 H new ATOM 0 HB3 PRO A 69 70.295 -2.743 2.546 1.00 1.00 H new ATOM 0 HG2 PRO A 69 72.289 -0.503 2.682 1.00 1.00 H new ATOM 0 HG3 PRO A 69 71.083 -0.836 1.455 1.00 1.00 H new ATOM 0 HD2 PRO A 69 70.703 1.102 3.370 1.00 1.00 H new ATOM 0 HD3 PRO A 69 69.357 0.223 2.672 1.00 1.00 H new ATOM 1019 N TRP A 70 72.213 -1.014 6.097 1.00 1.00 N ATOM 1020 CA TRP A 70 73.352 -1.104 7.053 1.00 1.00 C ATOM 1021 C TRP A 70 72.962 -2.009 8.225 1.00 1.00 C ATOM 1022 O TRP A 70 73.801 -2.445 8.988 1.00 1.00 O ATOM 1023 CB TRP A 70 73.693 0.295 7.576 1.00 1.00 C ATOM 1024 CG TRP A 70 74.650 0.181 8.719 1.00 1.00 C ATOM 1025 CD1 TRP A 70 75.742 -0.617 8.742 1.00 1.00 C ATOM 1026 CD2 TRP A 70 74.620 0.871 10.003 1.00 1.00 C ATOM 1027 NE1 TRP A 70 76.385 -0.462 9.956 1.00 1.00 N ATOM 1028 CE2 TRP A 70 75.733 0.444 10.768 1.00 1.00 C ATOM 1029 CE3 TRP A 70 73.747 1.814 10.572 1.00 1.00 C ATOM 1030 CZ2 TRP A 70 75.969 0.938 12.054 1.00 1.00 C ATOM 1031 CZ3 TRP A 70 73.981 2.312 11.863 1.00 1.00 C ATOM 1032 CH2 TRP A 70 75.088 1.876 12.602 1.00 1.00 C ATOM 0 H TRP A 70 71.848 -0.074 5.941 1.00 1.00 H new ATOM 0 HA TRP A 70 74.222 -1.522 6.545 1.00 1.00 H new ATOM 0 HB2 TRP A 70 74.132 0.896 6.779 1.00 1.00 H new ATOM 0 HB3 TRP A 70 72.785 0.806 7.897 1.00 1.00 H new ATOM 0 HD1 TRP A 70 76.060 -1.269 7.942 1.00 1.00 H new ATOM 0 HE1 TRP A 70 77.237 -0.957 10.219 1.00 1.00 H new ATOM 0 HE3 TRP A 70 72.890 2.158 10.012 1.00 1.00 H new ATOM 0 HZ2 TRP A 70 76.824 0.598 12.620 1.00 1.00 H new ATOM 0 HZ3 TRP A 70 73.303 3.036 12.290 1.00 1.00 H new ATOM 0 HH2 TRP A 70 75.261 2.264 13.595 1.00 1.00 H new ATOM 1043 N GLU A 71 71.695 -2.294 8.371 1.00 1.00 N ATOM 1044 CA GLU A 71 71.242 -3.171 9.492 1.00 1.00 C ATOM 1045 C GLU A 71 70.480 -4.370 8.923 1.00 1.00 C ATOM 1046 O GLU A 71 70.523 -5.457 9.463 1.00 1.00 O ATOM 1047 CB GLU A 71 70.319 -2.374 10.418 1.00 1.00 C ATOM 1048 CG GLU A 71 71.157 -1.448 11.302 1.00 1.00 C ATOM 1049 CD GLU A 71 70.241 -0.704 12.275 1.00 1.00 C ATOM 1050 OE1 GLU A 71 69.447 0.099 11.814 1.00 1.00 O ATOM 1051 OE2 GLU A 71 70.349 -0.950 13.465 1.00 1.00 O ATOM 0 H GLU A 71 70.951 -1.956 7.760 1.00 1.00 H new ATOM 0 HA GLU A 71 72.107 -3.523 10.054 1.00 1.00 H new ATOM 0 HB2 GLU A 71 69.612 -1.790 9.829 1.00 1.00 H new ATOM 0 HB3 GLU A 71 69.733 -3.053 11.037 1.00 1.00 H new ATOM 0 HG2 GLU A 71 71.898 -2.027 11.854 1.00 1.00 H new ATOM 0 HG3 GLU A 71 71.704 -0.736 10.685 1.00 1.00 H new ATOM 1058 N ALA A 72 69.782 -4.180 7.837 1.00 1.00 N ATOM 1059 CA ALA A 72 69.017 -5.309 7.235 1.00 1.00 C ATOM 1060 C ALA A 72 69.976 -6.235 6.482 1.00 1.00 C ATOM 1061 O ALA A 72 69.777 -7.432 6.421 1.00 1.00 O ATOM 1062 CB ALA A 72 67.971 -4.756 6.265 1.00 1.00 C ATOM 0 H ALA A 72 69.708 -3.292 7.340 1.00 1.00 H new ATOM 0 HA ALA A 72 68.518 -5.871 8.025 1.00 1.00 H new ATOM 0 HB1 ALA A 72 67.411 -5.581 5.824 1.00 1.00 H new ATOM 0 HB2 ALA A 72 67.287 -4.100 6.803 1.00 1.00 H new ATOM 0 HB3 ALA A 72 68.469 -4.193 5.476 1.00 1.00 H new ATOM 1068 N CYS A 73 71.013 -5.691 5.907 1.00 1.00 N ATOM 1069 CA CYS A 73 71.980 -6.542 5.157 1.00 1.00 C ATOM 1070 C CYS A 73 72.925 -7.230 6.145 1.00 1.00 C ATOM 1071 O CYS A 73 73.242 -8.395 6.007 1.00 1.00 O ATOM 1072 CB CYS A 73 72.791 -5.669 4.197 1.00 1.00 C ATOM 1073 SG CYS A 73 73.907 -6.713 3.226 1.00 1.00 S ATOM 0 H CYS A 73 71.233 -4.695 5.924 1.00 1.00 H new ATOM 0 HA CYS A 73 71.436 -7.296 4.589 1.00 1.00 H new ATOM 0 HB2 CYS A 73 72.122 -5.120 3.535 1.00 1.00 H new ATOM 0 HB3 CYS A 73 73.363 -4.929 4.757 1.00 1.00 H new ATOM 1078 N ASN A 74 73.376 -6.519 7.142 1.00 1.00 N ATOM 1079 CA ASN A 74 74.298 -7.131 8.139 1.00 1.00 C ATOM 1080 C ASN A 74 74.677 -6.084 9.190 1.00 1.00 C ATOM 1081 O ASN A 74 74.070 -5.035 9.279 1.00 1.00 O ATOM 1082 CB ASN A 74 75.562 -7.629 7.430 1.00 1.00 C ATOM 1083 CG ASN A 74 75.970 -6.625 6.350 1.00 1.00 C ATOM 1084 OD1 ASN A 74 76.080 -6.973 5.191 1.00 1.00 O ATOM 1085 ND2 ASN A 74 76.202 -5.385 6.683 1.00 1.00 N ATOM 0 H ASN A 74 73.145 -5.540 7.309 1.00 1.00 H new ATOM 0 HA ASN A 74 73.803 -7.971 8.626 1.00 1.00 H new ATOM 0 HB2 ASN A 74 76.371 -7.753 8.150 1.00 1.00 H new ATOM 0 HB3 ASN A 74 75.380 -8.606 6.983 1.00 1.00 H new ATOM 0 HD21 ASN A 74 76.476 -4.708 5.971 1.00 1.00 H new ATOM 0 HD22 ASN A 74 76.110 -5.092 7.656 1.00 1.00 H new ATOM 1092 N HIS A 75 75.676 -6.363 9.985 1.00 1.00 N ATOM 1093 CA HIS A 75 76.102 -5.390 11.034 1.00 1.00 C ATOM 1094 C HIS A 75 77.589 -5.073 10.857 1.00 1.00 C ATOM 1095 O HIS A 75 78.414 -5.959 10.755 1.00 1.00 O ATOM 1096 CB HIS A 75 75.874 -6.003 12.417 1.00 1.00 C ATOM 1097 CG HIS A 75 76.748 -7.217 12.578 1.00 1.00 C ATOM 1098 ND1 HIS A 75 76.542 -8.378 11.849 1.00 1.00 N ATOM 1099 CD2 HIS A 75 77.834 -7.465 13.382 1.00 1.00 C ATOM 1100 CE1 HIS A 75 77.481 -9.265 12.222 1.00 1.00 C ATOM 1101 NE2 HIS A 75 78.293 -8.759 13.153 1.00 1.00 N ATOM 0 H HIS A 75 76.218 -7.227 9.953 1.00 1.00 H new ATOM 0 HA HIS A 75 75.520 -4.473 10.941 1.00 1.00 H new ATOM 0 HB2 HIS A 75 76.102 -5.272 13.193 1.00 1.00 H new ATOM 0 HB3 HIS A 75 74.826 -6.278 12.536 1.00 1.00 H new ATOM 0 HD2 HIS A 75 78.265 -6.765 14.083 1.00 1.00 H new ATOM 0 HE1 HIS A 75 77.568 -10.263 11.819 1.00 1.00 H new ATOM 0 HE2 HIS A 75 79.083 -9.223 13.602 1.00 1.00 H new ATOM 1110 N CYS A 76 77.937 -3.816 10.819 1.00 1.00 N ATOM 1111 CA CYS A 76 79.371 -3.447 10.648 1.00 1.00 C ATOM 1112 C CYS A 76 79.594 -2.020 11.152 1.00 1.00 C ATOM 1113 O CYS A 76 78.933 -1.091 10.731 1.00 1.00 O ATOM 1114 CB CYS A 76 79.746 -3.532 9.166 1.00 1.00 C ATOM 1115 SG CYS A 76 78.992 -2.151 8.272 1.00 1.00 S ATOM 0 H CYS A 76 77.292 -3.030 10.899 1.00 1.00 H new ATOM 0 HA CYS A 76 79.995 -4.134 11.220 1.00 1.00 H new ATOM 0 HB2 CYS A 76 80.830 -3.504 9.052 1.00 1.00 H new ATOM 0 HB3 CYS A 76 79.405 -4.479 8.748 1.00 1.00 H new ATOM 1120 N GLU A 77 80.522 -1.837 12.052 1.00 1.00 N ATOM 1121 CA GLU A 77 80.787 -0.470 12.580 1.00 1.00 C ATOM 1122 C GLU A 77 81.479 0.365 11.501 1.00 1.00 C ATOM 1123 O GLU A 77 81.172 0.261 10.330 1.00 1.00 O ATOM 1124 CB GLU A 77 81.690 -0.563 13.813 1.00 1.00 C ATOM 1125 CG GLU A 77 81.079 -1.537 14.823 1.00 1.00 C ATOM 1126 CD GLU A 77 81.365 -2.974 14.384 1.00 1.00 C ATOM 1127 OE1 GLU A 77 82.523 -3.358 14.398 1.00 1.00 O ATOM 1128 OE2 GLU A 77 80.421 -3.667 14.041 1.00 1.00 O ATOM 0 H GLU A 77 81.107 -2.575 12.444 1.00 1.00 H new ATOM 0 HA GLU A 77 79.845 0.002 12.858 1.00 1.00 H new ATOM 0 HB2 GLU A 77 82.685 -0.900 13.523 1.00 1.00 H new ATOM 0 HB3 GLU A 77 81.807 0.421 14.266 1.00 1.00 H new ATOM 0 HG2 GLU A 77 81.496 -1.359 15.814 1.00 1.00 H new ATOM 0 HG3 GLU A 77 80.004 -1.375 14.896 1.00 1.00 H new ATOM 1135 N LEU A 78 82.413 1.192 11.885 1.00 1.00 N ATOM 1136 CA LEU A 78 83.123 2.031 10.879 1.00 1.00 C ATOM 1137 C LEU A 78 84.141 1.169 10.127 1.00 1.00 C ATOM 1138 O LEU A 78 85.335 1.305 10.307 1.00 1.00 O ATOM 1139 CB LEU A 78 83.849 3.176 11.591 1.00 1.00 C ATOM 1140 CG LEU A 78 82.845 4.273 11.949 1.00 1.00 C ATOM 1141 CD1 LEU A 78 81.798 3.713 12.914 1.00 1.00 C ATOM 1142 CD2 LEU A 78 83.580 5.437 12.617 1.00 1.00 C ATOM 0 H LEU A 78 82.715 1.323 12.851 1.00 1.00 H new ATOM 0 HA LEU A 78 82.402 2.443 10.173 1.00 1.00 H new ATOM 0 HB2 LEU A 78 84.337 2.806 12.493 1.00 1.00 H new ATOM 0 HB3 LEU A 78 84.631 3.580 10.948 1.00 1.00 H new ATOM 0 HG LEU A 78 82.353 4.624 11.042 1.00 1.00 H new ATOM 0 HD11 LEU A 78 81.083 4.495 13.169 1.00 1.00 H new ATOM 0 HD12 LEU A 78 81.274 2.883 12.441 1.00 1.00 H new ATOM 0 HD13 LEU A 78 82.290 3.362 13.821 1.00 1.00 H new ATOM 0 HD21 LEU A 78 82.866 6.220 12.873 1.00 1.00 H new ATOM 0 HD22 LEU A 78 84.072 5.084 13.524 1.00 1.00 H new ATOM 0 HD23 LEU A 78 84.327 5.837 11.931 1.00 1.00 H new ATOM 1154 N HIS A 79 83.676 0.282 9.287 1.00 1.00 N ATOM 1155 CA HIS A 79 84.612 -0.594 8.521 1.00 1.00 C ATOM 1156 C HIS A 79 84.731 -0.082 7.084 1.00 1.00 C ATOM 1157 O HIS A 79 83.875 0.628 6.594 1.00 1.00 O ATOM 1158 CB HIS A 79 84.070 -2.025 8.505 1.00 1.00 C ATOM 1159 CG HIS A 79 84.235 -2.639 9.868 1.00 1.00 C ATOM 1160 ND1 HIS A 79 84.247 -1.876 11.026 1.00 1.00 N ATOM 1161 CD2 HIS A 79 84.397 -3.942 10.274 1.00 1.00 C ATOM 1162 CE1 HIS A 79 84.410 -2.715 12.065 1.00 1.00 C ATOM 1163 NE2 HIS A 79 84.506 -3.983 11.661 1.00 1.00 N ATOM 0 H HIS A 79 82.686 0.126 9.098 1.00 1.00 H new ATOM 0 HA HIS A 79 85.593 -0.579 8.995 1.00 1.00 H new ATOM 0 HB2 HIS A 79 83.018 -2.024 8.220 1.00 1.00 H new ATOM 0 HB3 HIS A 79 84.601 -2.618 7.761 1.00 1.00 H new ATOM 0 HD2 HIS A 79 84.434 -4.800 9.619 1.00 1.00 H new ATOM 0 HE1 HIS A 79 84.457 -2.401 13.097 1.00 1.00 H new ATOM 0 HE2 HIS A 79 84.633 -4.809 12.246 1.00 1.00 H new ATOM 1172 N GLU A 80 85.788 -0.439 6.403 1.00 1.00 N ATOM 1173 CA GLU A 80 85.967 0.023 4.995 1.00 1.00 C ATOM 1174 C GLU A 80 86.562 -1.114 4.161 1.00 1.00 C ATOM 1175 O GLU A 80 86.002 -1.525 3.164 1.00 1.00 O ATOM 1176 CB GLU A 80 86.918 1.223 4.965 1.00 1.00 C ATOM 1177 CG GLU A 80 86.413 2.303 5.924 1.00 1.00 C ATOM 1178 CD GLU A 80 86.762 1.913 7.362 1.00 1.00 C ATOM 1179 OE1 GLU A 80 87.800 1.301 7.553 1.00 1.00 O ATOM 1180 OE2 GLU A 80 85.986 2.234 8.247 1.00 1.00 O ATOM 0 H GLU A 80 86.536 -1.032 6.762 1.00 1.00 H new ATOM 0 HA GLU A 80 85.001 0.315 4.584 1.00 1.00 H new ATOM 0 HB2 GLU A 80 87.923 0.911 5.250 1.00 1.00 H new ATOM 0 HB3 GLU A 80 86.983 1.623 3.953 1.00 1.00 H new ATOM 0 HG2 GLU A 80 86.865 3.264 5.677 1.00 1.00 H new ATOM 0 HG3 GLU A 80 85.334 2.421 5.820 1.00 1.00 H new ATOM 1187 N LEU A 81 87.693 -1.626 4.562 1.00 1.00 N ATOM 1188 CA LEU A 81 88.326 -2.736 3.794 1.00 1.00 C ATOM 1189 C LEU A 81 87.802 -4.079 4.310 1.00 1.00 C ATOM 1190 O LEU A 81 87.664 -5.029 3.566 1.00 1.00 O ATOM 1191 CB LEU A 81 89.846 -2.677 3.973 1.00 1.00 C ATOM 1192 CG LEU A 81 90.313 -1.222 3.900 1.00 1.00 C ATOM 1193 CD1 LEU A 81 91.841 -1.173 3.957 1.00 1.00 C ATOM 1194 CD2 LEU A 81 89.833 -0.599 2.587 1.00 1.00 C ATOM 0 H LEU A 81 88.207 -1.323 5.389 1.00 1.00 H new ATOM 0 HA LEU A 81 88.080 -2.633 2.737 1.00 1.00 H new ATOM 0 HB2 LEU A 81 90.127 -3.112 4.932 1.00 1.00 H new ATOM 0 HB3 LEU A 81 90.337 -3.267 3.199 1.00 1.00 H new ATOM 0 HG LEU A 81 89.900 -0.665 4.741 1.00 1.00 H new ATOM 0 HD11 LEU A 81 92.174 -0.136 3.905 1.00 1.00 H new ATOM 0 HD12 LEU A 81 92.185 -1.618 4.891 1.00 1.00 H new ATOM 0 HD13 LEU A 81 92.255 -1.730 3.116 1.00 1.00 H new ATOM 0 HD21 LEU A 81 90.165 0.438 2.533 1.00 1.00 H new ATOM 0 HD22 LEU A 81 90.247 -1.156 1.747 1.00 1.00 H new ATOM 0 HD23 LEU A 81 88.744 -0.634 2.544 1.00 1.00 H new ATOM 1206 N ALA A 82 87.509 -4.165 5.579 1.00 1.00 N ATOM 1207 CA ALA A 82 86.995 -5.446 6.140 1.00 1.00 C ATOM 1208 C ALA A 82 85.633 -5.766 5.521 1.00 1.00 C ATOM 1209 O ALA A 82 85.172 -5.082 4.630 1.00 1.00 O ATOM 1210 CB ALA A 82 86.848 -5.314 7.657 1.00 1.00 C ATOM 0 H ALA A 82 87.603 -3.404 6.251 1.00 1.00 H new ATOM 0 HA ALA A 82 87.695 -6.250 5.910 1.00 1.00 H new ATOM 0 HB1 ALA A 82 86.472 -6.250 8.069 1.00 1.00 H new ATOM 0 HB2 ALA A 82 87.819 -5.087 8.098 1.00 1.00 H new ATOM 0 HB3 ALA A 82 86.149 -4.510 7.886 1.00 1.00 H new ATOM 1216 N GLN A 83 84.989 -6.803 5.990 1.00 1.00 N ATOM 1217 CA GLN A 83 83.653 -7.180 5.439 1.00 1.00 C ATOM 1218 C GLN A 83 83.766 -7.441 3.935 1.00 1.00 C ATOM 1219 O GLN A 83 84.463 -6.747 3.222 1.00 1.00 O ATOM 1220 CB GLN A 83 82.650 -6.051 5.692 1.00 1.00 C ATOM 1221 CG GLN A 83 82.494 -5.834 7.198 1.00 1.00 C ATOM 1222 CD GLN A 83 81.639 -6.956 7.791 1.00 1.00 C ATOM 1223 OE1 GLN A 83 82.115 -7.745 8.583 1.00 1.00 O ATOM 1224 NE2 GLN A 83 80.387 -7.061 7.438 1.00 1.00 N ATOM 0 H GLN A 83 85.333 -7.408 6.735 1.00 1.00 H new ATOM 0 HA GLN A 83 83.306 -8.086 5.935 1.00 1.00 H new ATOM 0 HB2 GLN A 83 82.992 -5.133 5.215 1.00 1.00 H new ATOM 0 HB3 GLN A 83 81.686 -6.300 5.248 1.00 1.00 H new ATOM 0 HG2 GLN A 83 83.473 -5.817 7.677 1.00 1.00 H new ATOM 0 HG3 GLN A 83 82.028 -4.867 7.390 1.00 1.00 H new ATOM 0 HE21 GLN A 83 79.987 -6.399 6.773 1.00 1.00 H new ATOM 0 HE22 GLN A 83 79.808 -7.805 7.827 1.00 1.00 H new ATOM 1233 N TYR A 84 83.082 -8.439 3.445 1.00 1.00 N ATOM 1234 CA TYR A 84 83.147 -8.746 1.988 1.00 1.00 C ATOM 1235 C TYR A 84 84.609 -8.833 1.548 1.00 1.00 C ATOM 1236 O TYR A 84 85.230 -9.875 1.624 1.00 1.00 O ATOM 1237 CB TYR A 84 82.449 -7.635 1.200 1.00 1.00 C ATOM 1238 CG TYR A 84 81.033 -7.474 1.700 1.00 1.00 C ATOM 1239 CD1 TYR A 84 80.046 -8.387 1.312 1.00 1.00 C ATOM 1240 CD2 TYR A 84 80.708 -6.411 2.551 1.00 1.00 C ATOM 1241 CE1 TYR A 84 78.733 -8.238 1.776 1.00 1.00 C ATOM 1242 CE2 TYR A 84 79.396 -6.262 3.015 1.00 1.00 C ATOM 1243 CZ TYR A 84 78.408 -7.175 2.627 1.00 1.00 C ATOM 1244 OH TYR A 84 77.114 -7.028 3.084 1.00 1.00 O ATOM 0 H TYR A 84 82.480 -9.055 3.991 1.00 1.00 H new ATOM 0 HA TYR A 84 82.651 -9.698 1.798 1.00 1.00 H new ATOM 0 HB2 TYR A 84 82.994 -6.698 1.312 1.00 1.00 H new ATOM 0 HB3 TYR A 84 82.445 -7.876 0.137 1.00 1.00 H new ATOM 0 HD1 TYR A 84 80.297 -9.206 0.655 1.00 1.00 H new ATOM 0 HD2 TYR A 84 81.470 -5.706 2.849 1.00 1.00 H new ATOM 0 HE1 TYR A 84 77.971 -8.943 1.477 1.00 1.00 H new ATOM 0 HE2 TYR A 84 79.146 -5.443 3.672 1.00 1.00 H new ATOM 1254 N GLY A 85 85.160 -7.746 1.086 1.00 1.00 N ATOM 1255 CA GLY A 85 86.579 -7.758 0.637 1.00 1.00 C ATOM 1256 C GLY A 85 86.835 -6.539 -0.250 1.00 1.00 C ATOM 1257 O GLY A 85 85.950 -6.058 -0.930 1.00 1.00 O ATOM 0 H GLY A 85 84.687 -6.847 1.000 1.00 1.00 H new ATOM 0 HA2 GLY A 85 87.246 -7.742 1.499 1.00 1.00 H new ATOM 0 HA3 GLY A 85 86.791 -8.675 0.086 1.00 1.00 H new ATOM 1261 N ILE A 86 88.037 -6.034 -0.245 1.00 1.00 N ATOM 1262 CA ILE A 86 88.356 -4.842 -1.084 1.00 1.00 C ATOM 1263 C ILE A 86 87.724 -4.998 -2.470 1.00 1.00 C ATOM 1264 O ILE A 86 87.853 -6.022 -3.112 1.00 1.00 O ATOM 1265 CB ILE A 86 89.875 -4.709 -1.226 1.00 1.00 C ATOM 1266 CG1 ILE A 86 90.446 -6.002 -1.811 1.00 1.00 C ATOM 1267 CG2 ILE A 86 90.497 -4.455 0.148 1.00 1.00 C ATOM 1268 CD1 ILE A 86 90.839 -5.773 -3.272 1.00 1.00 C ATOM 0 H ILE A 86 88.816 -6.396 0.305 1.00 1.00 H new ATOM 0 HA ILE A 86 87.955 -3.948 -0.606 1.00 1.00 H new ATOM 0 HB ILE A 86 90.106 -3.875 -1.889 1.00 1.00 H new ATOM 0 HG12 ILE A 86 91.315 -6.321 -1.236 1.00 1.00 H new ATOM 0 HG13 ILE A 86 89.708 -6.801 -1.743 1.00 1.00 H new ATOM 0 HG21 ILE A 86 91.578 -4.360 0.046 1.00 1.00 H new ATOM 0 HG22 ILE A 86 90.090 -3.535 0.567 1.00 1.00 H new ATOM 0 HG23 ILE A 86 90.267 -5.289 0.811 1.00 1.00 H new ATOM 0 HD11 ILE A 86 91.246 -6.695 -3.688 1.00 1.00 H new ATOM 0 HD12 ILE A 86 89.960 -5.474 -3.843 1.00 1.00 H new ATOM 0 HD13 ILE A 86 91.592 -4.987 -3.327 1.00 1.00 H new ATOM 1280 N CYS A 87 87.039 -3.990 -2.932 1.00 1.00 N ATOM 1281 CA CYS A 87 86.395 -4.074 -4.273 1.00 1.00 C ATOM 1282 C CYS A 87 87.473 -4.228 -5.347 1.00 1.00 C ATOM 1283 CB CYS A 87 85.594 -2.797 -4.531 1.00 1.00 C ATOM 1284 SG CYS A 87 86.678 -1.358 -4.357 1.00 1.00 S ATOM 0 H CYS A 87 86.897 -3.109 -2.438 1.00 1.00 H new ATOM 0 HA CYS A 87 85.727 -4.935 -4.305 1.00 1.00 H new ATOM 0 HB2 CYS A 87 85.163 -2.822 -5.532 1.00 1.00 H new ATOM 0 HB3 CYS A 87 84.764 -2.727 -3.828 1.00 1.00 H new TER 1289 CYS A 87 HETATM 1290 C1C RCY A 110 57.219 -10.442 7.208 1.00 1.00 C HETATM 1291 O1G RCY A 110 60.469 -14.545 7.080 1.00 1.00 O HETATM 1292 O1H RCY A 110 58.224 -10.745 5.401 1.00 1.00 O HETATM 1293 O1J RCY A 110 55.077 -12.004 5.778 1.00 1.00 O HETATM 1294 C1L RCY A 110 60.772 -13.169 5.080 1.00 1.00 C HETATM 1295 C1M RCY A 110 57.352 -14.028 8.110 1.00 1.00 C HETATM 1296 C1P RCY A 110 60.090 -13.606 6.382 1.00 1.00 C HETATM 1297 C1Q RCY A 110 58.805 -11.826 5.481 1.00 1.00 C HETATM 1298 N1R RCY A 110 58.880 -12.729 6.705 1.00 1.00 N HETATM 1299 C1S RCY A 110 59.584 -12.508 4.371 1.00 1.00 C HETATM 1300 C1U RCY A 110 57.973 -12.746 7.937 1.00 1.00 C HETATM 1301 C1V RCY A 110 56.076 -11.594 9.156 1.00 1.00 C HETATM 1302 N1V RCY A 110 55.911 -12.547 6.846 1.00 1.00 N HETATM 1303 C1W RCY A 110 56.090 -14.013 7.237 1.00 1.00 C HETATM 1304 C1X RCY A 110 56.796 -11.779 7.819 1.00 1.00 C HETATM 1305 C1Y RCY A 110 54.879 -14.507 8.033 1.00 1.00 C HETATM 1306 C1Z RCY A 110 56.281 -14.849 5.971 1.00 1.00 C HETATM 0 H1ZB RCY A 110 57.110 -14.445 5.390 1.00 1.00 H new HETATM 0 H1ZA RCY A 110 56.500 -15.881 6.246 1.00 1.00 H new HETATM 0 H1YB RCY A 110 55.060 -15.526 8.375 1.00 1.00 H new HETATM 0 H1YA RCY A 110 54.720 -13.858 8.894 1.00 1.00 H new HETATM 0 H1VB RCY A 110 56.740 -11.092 9.860 1.00 1.00 H new HETATM 0 H1VA RCY A 110 55.181 -10.989 9.007 1.00 1.00 H new HETATM 0 H1MA RCY A 110 58.025 -14.831 7.808 1.00 1.00 H new HETATM 0 H1LA RCY A 110 61.594 -12.475 5.252 1.00 1.00 H new HETATM 0 H1CB RCY A 110 57.980 -9.979 7.836 1.00 1.00 H new HETATM 0 H1CA RCY A 110 57.625 -10.610 6.210 1.00 1.00 H new HETATM 0 H1Z RCY A 110 55.370 -14.818 5.374 1.00 1.00 H new HETATM 0 H1Y RCY A 110 53.994 -14.489 7.397 1.00 1.00 H new HETATM 0 H1V RCY A 110 55.793 -12.568 9.555 1.00 1.00 H new HETATM 0 H1U RCY A 110 58.633 -12.476 8.761 1.00 1.00 H new HETATM 0 H1S RCY A 110 58.972 -13.246 3.853 1.00 1.00 H new HETATM 0 H1M RCY A 110 57.100 -14.200 9.156 1.00 1.00 H new HETATM 0 H1L RCY A 110 61.178 -14.011 4.518 1.00 1.00 H new HETATM 0 H1C RCY A 110 56.354 -9.783 7.141 1.00 1.00 H new HETATM 1309 C1C RCY A 121 75.410 -9.669 -4.074 1.00 1.00 C HETATM 1310 O1G RCY A 121 73.501 -13.063 -0.677 1.00 1.00 O HETATM 1311 O1H RCY A 121 76.234 -11.708 -4.281 1.00 1.00 O HETATM 1312 O1J RCY A 121 74.198 -10.962 -6.509 1.00 1.00 O HETATM 1313 C1L RCY A 121 75.580 -13.939 -1.624 1.00 1.00 C HETATM 1314 C1M RCY A 121 72.145 -11.219 -3.280 1.00 1.00 C HETATM 1315 C1P RCY A 121 74.375 -12.993 -1.539 1.00 1.00 C HETATM 1316 C1Q RCY A 121 75.603 -12.393 -3.479 1.00 1.00 C HETATM 1317 N1R RCY A 121 74.396 -11.954 -2.658 1.00 1.00 N HETATM 1318 C1S RCY A 121 75.884 -13.842 -3.123 1.00 1.00 C HETATM 1319 C1U RCY A 121 73.455 -10.773 -2.902 1.00 1.00 C HETATM 1320 C1V RCY A 121 73.123 -8.575 -4.116 1.00 1.00 C HETATM 1321 N1V RCY A 121 73.494 -10.781 -5.243 1.00 1.00 N HETATM 1322 C1W RCY A 121 72.189 -11.438 -4.797 1.00 1.00 C HETATM 1323 C1X RCY A 121 73.896 -9.895 -4.072 1.00 1.00 C HETATM 1324 C1Y RCY A 121 70.992 -10.764 -5.474 1.00 1.00 C HETATM 1325 C1Z RCY A 121 72.235 -12.927 -5.143 1.00 1.00 C HETATM 0 H1ZB RCY A 121 73.125 -13.376 -4.702 1.00 1.00 H new HETATM 0 H1ZA RCY A 121 71.347 -13.420 -4.748 1.00 1.00 H new HETATM 0 H1YB RCY A 121 70.067 -11.188 -5.083 1.00 1.00 H new HETATM 0 H1YA RCY A 121 71.015 -9.693 -5.271 1.00 1.00 H new HETATM 0 H1VB RCY A 121 73.380 -7.974 -3.244 1.00 1.00 H new HETATM 0 H1VA RCY A 121 73.386 -8.030 -5.022 1.00 1.00 H new HETATM 0 H1MA RCY A 121 71.883 -12.141 -2.761 1.00 1.00 H new HETATM 0 H1LA RCY A 121 76.415 -13.608 -1.006 1.00 1.00 H new HETATM 0 H1CB RCY A 121 75.706 -9.177 -3.147 1.00 1.00 H new HETATM 0 H1CA RCY A 121 75.921 -10.628 -4.155 1.00 1.00 H new HETATM 0 H1Z RCY A 121 72.266 -13.048 -6.226 1.00 1.00 H new HETATM 0 H1Y RCY A 121 71.041 -10.931 -6.550 1.00 1.00 H new HETATM 0 H1V RCY A 121 72.052 -8.780 -4.113 1.00 1.00 H new HETATM 0 H1U RCY A 121 73.465 -10.223 -1.961 1.00 1.00 H new HETATM 0 H1S RCY A 121 75.255 -14.521 -3.700 1.00 1.00 H new HETATM 0 H1M RCY A 121 71.390 -10.479 -3.015 1.00 1.00 H new HETATM 0 H1L RCY A 121 75.336 -14.955 -1.312 1.00 1.00 H new HETATM 0 H1C RCY A 121 75.683 -9.040 -4.921 1.00 1.00 H new HETATM 1328 C1C RCY A 130 77.154 3.412 -10.791 1.00 1.00 C HETATM 1329 O1G RCY A 130 75.687 3.628 -14.321 1.00 1.00 O HETATM 1330 O1H RCY A 130 75.630 5.393 -12.282 1.00 1.00 O HETATM 1331 O1J RCY A 130 76.800 6.396 -10.985 1.00 1.00 O HETATM 1332 C1L RCY A 130 75.429 4.185 -11.892 1.00 1.00 C HETATM 1333 C1M RCY A 130 73.638 4.386 -10.172 1.00 1.00 C HETATM 1334 C1P RCY A 130 75.031 3.998 -13.367 1.00 1.00 C HETATM 1335 C1Q RCY A 130 75.236 4.446 -12.960 1.00 1.00 C HETATM 1336 N1R RCY A 130 74.613 3.271 -12.122 1.00 1.00 N HETATM 1337 C1S RCY A 130 74.599 3.143 -12.703 1.00 1.00 C HETATM 1338 C1U RCY A 130 74.629 3.441 -10.602 1.00 1.00 C HETATM 1339 C1V RCY A 130 76.054 3.916 -8.563 1.00 1.00 C HETATM 1340 N1V RCY A 130 75.773 5.481 -10.498 1.00 1.00 N HETATM 1341 C1W RCY A 130 74.288 5.770 -10.289 1.00 1.00 C HETATM 1342 C1X RCY A 130 75.943 4.025 -10.085 1.00 1.00 C HETATM 1343 C1Y RCY A 130 74.075 6.575 -9.003 1.00 1.00 C HETATM 1344 C1Z RCY A 130 73.751 6.536 -11.498 1.00 1.00 C HETATM 0 H1ZB RCY A 130 73.964 5.975 -12.408 1.00 1.00 H new HETATM 0 H1ZA RCY A 130 72.674 6.667 -11.397 1.00 1.00 H new HETATM 0 H1YB RCY A 130 73.007 6.700 -8.825 1.00 1.00 H new HETATM 0 H1YA RCY A 130 74.523 6.044 -8.163 1.00 1.00 H new HETATM 0 H1VB RCY A 130 76.120 2.866 -8.277 1.00 1.00 H new HETATM 0 H1VA RCY A 130 76.947 4.441 -8.225 1.00 1.00 H new HETATM 0 H1MA RCY A 130 72.744 4.322 -10.792 1.00 1.00 H new HETATM 0 H1LA RCY A 130 76.431 3.989 -11.511 1.00 1.00 H new HETATM 0 H1CB RCY A 130 77.168 2.335 -10.621 1.00 1.00 H new HETATM 0 H1CA RCY A 130 77.090 3.609 -11.861 1.00 1.00 H new HETATM 0 H1Z RCY A 130 74.232 7.513 -11.553 1.00 1.00 H new HETATM 0 H1Y RCY A 130 74.543 7.554 -9.105 1.00 1.00 H new HETATM 0 H1V RCY A 130 75.174 4.363 -8.101 1.00 1.00 H new HETATM 0 H1U RCY A 130 74.457 2.436 -10.217 1.00 1.00 H new HETATM 0 H1S RCY A 130 73.523 3.009 -12.590 1.00 1.00 H new HETATM 0 H1M RCY A 130 73.329 4.186 -9.146 1.00 1.00 H new HETATM 0 H1C RCY A 130 78.068 3.854 -10.395 1.00 1.00 H new HETATM 1347 C1C RCY A 138 83.616 3.403 -2.944 1.00 1.00 C HETATM 1348 O1G RCY A 138 83.040 8.751 -4.667 1.00 1.00 O HETATM 1349 O1H RCY A 138 82.567 8.895 -2.982 1.00 1.00 O HETATM 1350 O1J RCY A 138 82.756 2.732 -0.137 1.00 1.00 O HETATM 1351 C1L RCY A 138 82.383 7.133 -2.932 1.00 1.00 C HETATM 1352 C1M RCY A 138 82.217 6.369 -1.228 1.00 1.00 C HETATM 1353 C1P RCY A 138 82.444 7.767 -4.278 1.00 1.00 C HETATM 1354 C1Q RCY A 138 82.216 7.819 -3.420 1.00 1.00 C HETATM 1355 N1R RCY A 138 82.980 6.494 -3.552 1.00 1.00 N HETATM 1356 C1S RCY A 138 82.858 6.930 -4.429 1.00 1.00 C HETATM 1357 C1U RCY A 138 83.072 5.765 -2.210 1.00 1.00 C HETATM 1358 C1V RCY A 138 81.216 4.217 -2.965 1.00 1.00 C HETATM 1359 N1V RCY A 138 82.460 3.997 -0.803 1.00 1.00 N HETATM 1360 C1W RCY A 138 81.958 5.292 -0.167 1.00 1.00 C HETATM 1361 C1X RCY A 138 82.583 4.319 -2.286 1.00 1.00 C HETATM 1362 C1Y RCY A 138 80.462 5.191 0.144 1.00 1.00 C HETATM 1363 C1Z RCY A 138 82.756 5.566 1.108 1.00 1.00 C HETATM 0 H1ZB RCY A 138 83.821 5.575 0.876 1.00 1.00 H new HETATM 0 H1ZA RCY A 138 82.466 6.533 1.518 1.00 1.00 H new HETATM 0 H1YB RCY A 138 80.103 6.149 0.519 1.00 1.00 H new HETATM 0 H1YA RCY A 138 79.918 4.930 -0.764 1.00 1.00 H new HETATM 0 H1VB RCY A 138 81.308 4.503 -4.013 1.00 1.00 H new HETATM 0 H1MA RCY A 138 82.690 7.246 -0.786 1.00 1.00 H new HETATM 0 H1CA RCY A 138 84.540 3.421 -2.365 1.00 1.00 H new HETATM 0 H1Z RCY A 138 82.551 4.785 1.840 1.00 1.00 H new HETATM 0 H1Y RCY A 138 80.298 4.422 0.899 1.00 1.00 H new HETATM 0 H1V RCY A 138 80.512 4.883 -2.467 1.00 1.00 H new HETATM 0 H1U RCY A 138 84.129 5.818 -1.947 1.00 1.00 H new HETATM 0 H1M RCY A 138 81.283 6.705 -1.678 1.00 1.00 H new HETATM 0 H1L RCY A 138 81.488 6.683 -2.502 1.00 1.00 H new HETATM 1366 C1C RCY A 150 77.836 9.872 7.142 1.00 1.00 C HETATM 1367 O1G RCY A 150 75.628 10.894 7.935 1.00 1.00 O HETATM 1368 O1H RCY A 150 74.558 10.900 3.335 1.00 1.00 O HETATM 1369 O1J RCY A 150 75.932 8.531 9.052 1.00 1.00 O HETATM 1370 C1L RCY A 150 74.399 12.452 6.503 1.00 1.00 C HETATM 1371 C1M RCY A 150 75.247 7.954 5.323 1.00 1.00 C HETATM 1372 C1P RCY A 150 75.229 11.199 6.812 1.00 1.00 C HETATM 1373 C1Q RCY A 150 74.892 11.256 4.464 1.00 1.00 C HETATM 1374 N1R RCY A 150 75.499 10.379 5.552 1.00 1.00 N HETATM 1375 C1S RCY A 150 74.775 12.659 5.031 1.00 1.00 C HETATM 1376 C1U RCY A 150 76.198 9.025 5.408 1.00 1.00 C HETATM 1377 C1V RCY A 150 77.961 7.469 6.345 1.00 1.00 C HETATM 1378 N1V RCY A 150 75.961 8.280 7.614 1.00 1.00 N HETATM 1379 C1W RCY A 150 74.904 7.571 6.768 1.00 1.00 C HETATM 1380 C1X RCY A 150 77.050 8.666 6.623 1.00 1.00 C HETATM 1381 C1Y RCY A 150 74.994 6.055 6.959 1.00 1.00 C HETATM 1382 C1Z RCY A 150 73.519 8.083 7.165 1.00 1.00 C HETATM 0 H1YB RCY A 150 74.292 5.561 6.287 1.00 1.00 H new HETATM 0 H1YA RCY A 150 76.007 5.720 6.736 1.00 1.00 H new HETATM 0 H1VB RCY A 150 78.702 7.742 5.594 1.00 1.00 H new HETATM 0 H1VA RCY A 150 78.468 7.176 7.265 1.00 1.00 H new HETATM 0 H1MA RCY A 150 74.355 8.268 4.781 1.00 1.00 H new HETATM 0 H1LA RCY A 150 73.330 12.289 6.642 1.00 1.00 H new HETATM 0 H1CB RCY A 150 78.497 10.240 6.358 1.00 1.00 H new HETATM 0 H1CA RCY A 150 77.142 10.661 7.432 1.00 1.00 H new HETATM 0 H1Y RCY A 150 74.747 5.803 7.990 1.00 1.00 H new HETATM 0 H1V RCY A 150 77.363 6.634 5.978 1.00 1.00 H new HETATM 0 H1U RCY A 150 76.806 9.130 4.509 1.00 1.00 H new HETATM 0 H1S RCY A 150 75.714 13.205 4.935 1.00 1.00 H new HETATM 0 H1M RCY A 150 75.665 7.104 4.784 1.00 1.00 H new HETATM 0 H1L RCY A 150 74.676 13.301 7.128 1.00 1.00 H new HETATM 0 H1C RCY A 150 78.429 9.575 8.007 1.00 1.00 H new HETATM 1385 C1C RCY A 160 73.725 10.655 -3.451 1.00 1.00 C HETATM 1386 O1G RCY A 160 73.327 8.380 -2.373 1.00 1.00 O HETATM 1387 O1H RCY A 160 74.233 8.372 -0.562 1.00 1.00 O HETATM 1388 O1J RCY A 160 71.858 8.461 -4.329 1.00 1.00 O HETATM 1389 C1L RCY A 160 73.173 9.582 -0.233 1.00 1.00 C HETATM 1390 C1M RCY A 160 70.439 10.944 -1.773 1.00 1.00 C HETATM 1391 C1P RCY A 160 72.718 8.789 -1.407 1.00 1.00 C HETATM 1392 C1Q RCY A 160 73.102 8.810 -0.615 1.00 1.00 C HETATM 1393 N1R RCY A 160 72.593 10.241 -0.844 1.00 1.00 N HETATM 1394 C1S RCY A 160 72.446 9.672 -1.637 1.00 1.00 C HETATM 1395 C1U RCY A 160 71.856 11.162 -1.819 1.00 1.00 C HETATM 1396 C1V RCY A 160 71.713 12.003 -4.203 1.00 1.00 C HETATM 1397 N1V RCY A 160 71.451 9.607 -3.521 1.00 1.00 N HETATM 1398 C1W RCY A 160 70.155 9.780 -2.731 1.00 1.00 C HETATM 1399 C1X RCY A 160 72.224 10.896 -3.278 1.00 1.00 C HETATM 1400 C1Y RCY A 160 68.997 10.127 -3.671 1.00 1.00 C HETATM 1401 C1Z RCY A 160 69.860 8.490 -1.965 1.00 1.00 C HETATM 0 H1ZA RCY A 160 68.987 8.636 -1.329 1.00 1.00 H new HETATM 0 H1YA RCY A 160 69.255 11.010 -4.255 1.00 1.00 H new HETATM 0 H1VB RCY A 160 72.236 12.933 -3.980 1.00 1.00 H new HETATM 0 H1VA RCY A 160 71.896 11.724 -5.241 1.00 1.00 H new HETATM 0 H1LA RCY A 160 72.661 9.608 0.729 1.00 1.00 H new HETATM 0 H1CB RCY A 160 74.276 11.533 -3.114 1.00 1.00 H new HETATM 0 H1CA RCY A 160 74.025 9.790 -2.860 1.00 1.00 H new HETATM 0 H1V RCY A 160 70.643 12.142 -4.048 1.00 1.00 H new HETATM 0 H1U RCY A 160 72.143 12.167 -1.510 1.00 1.00 H new HETATM 0 H1L RCY A 160 74.206 9.880 -0.053 1.00 1.00 H new HETATM 0 H1C RCY A 160 73.945 10.470 -4.502 1.00 1.00 H new HETATM 1404 C1C RCY A 168 73.727 3.567 -1.366 1.00 1.00 C HETATM 1405 O1G RCY A 168 71.311 3.126 -0.278 1.00 1.00 O HETATM 1406 O1H RCY A 168 72.522 5.081 3.847 1.00 1.00 O HETATM 1407 O1J RCY A 168 76.691 4.103 -1.375 1.00 1.00 O HETATM 1408 C1L RCY A 168 70.166 3.341 1.874 1.00 1.00 C HETATM 1409 C1M RCY A 168 74.877 4.781 1.935 1.00 1.00 C HETATM 1410 C1P RCY A 168 71.335 3.500 0.894 1.00 1.00 C HETATM 1411 C1Q RCY A 168 72.068 4.315 2.998 1.00 1.00 C HETATM 1412 N1R RCY A 168 72.534 4.180 1.553 1.00 1.00 N HETATM 1413 C1S RCY A 168 70.936 3.325 3.199 1.00 1.00 C HETATM 1414 C1U RCY A 168 73.862 4.618 0.933 1.00 1.00 C HETATM 1415 C1V RCY A 168 74.476 2.181 0.620 1.00 1.00 C HETATM 1416 N1V RCY A 168 75.861 4.111 -0.173 1.00 1.00 N HETATM 1417 C1W RCY A 168 76.221 4.662 1.206 1.00 1.00 C HETATM 1418 C1X RCY A 168 74.446 3.573 -0.016 1.00 1.00 C HETATM 1419 C1Y RCY A 168 77.149 3.693 1.943 1.00 1.00 C HETATM 1420 C1Z RCY A 168 76.887 6.028 1.041 1.00 1.00 C HETATM 0 H1ZB RCY A 168 76.236 6.683 0.462 1.00 1.00 H new HETATM 0 H1ZA RCY A 168 77.063 6.468 2.023 1.00 1.00 H new HETATM 0 H1YB RCY A 168 77.327 4.058 2.954 1.00 1.00 H new HETATM 0 H1YA RCY A 168 76.684 2.708 1.989 1.00 1.00 H new HETATM 0 H1VB RCY A 168 73.456 1.831 0.778 1.00 1.00 H new HETATM 0 H1VA RCY A 168 74.998 1.490 -0.042 1.00 1.00 H new HETATM 0 H1MA RCY A 168 74.786 5.749 2.428 1.00 1.00 H new HETATM 0 H1LA RCY A 168 69.456 4.166 1.814 1.00 1.00 H new HETATM 0 H1CB RCY A 168 72.672 3.340 -1.215 1.00 1.00 H new HETATM 0 H1CA RCY A 168 73.824 4.546 -1.834 1.00 1.00 H new HETATM 0 H1Z RCY A 168 77.837 5.909 0.521 1.00 1.00 H new HETATM 0 H1Y RCY A 168 78.098 3.622 1.411 1.00 1.00 H new HETATM 0 H1V RCY A 168 74.995 2.229 1.577 1.00 1.00 H new HETATM 0 H1U RCY A 168 73.623 5.545 0.412 1.00 1.00 H new HETATM 0 H1S RCY A 168 71.316 2.329 3.424 1.00 1.00 H new HETATM 0 H1M RCY A 168 74.785 4.019 2.709 1.00 1.00 H new HETATM 0 H1L RCY A 168 69.603 2.423 1.707 1.00 1.00 H new HETATM 0 H1C RCY A 168 74.172 2.810 -2.012 1.00 1.00 H new HETATM 1423 C1C RCY A 173 78.177 -5.196 -0.436 1.00 1.00 C HETATM 1424 O1G RCY A 173 78.981 -5.937 3.468 1.00 1.00 O HETATM 1425 O1H RCY A 173 74.951 -4.534 1.444 1.00 1.00 O HETATM 1426 O1J RCY A 173 75.650 -3.790 -1.277 1.00 1.00 O HETATM 1427 C1L RCY A 173 76.679 -6.760 3.573 1.00 1.00 C HETATM 1428 C1M RCY A 173 77.467 -2.298 1.753 1.00 1.00 C HETATM 1429 C1P RCY A 173 77.802 -5.811 3.138 1.00 1.00 C HETATM 1430 C1Q RCY A 173 75.775 -4.946 2.259 1.00 1.00 C HETATM 1431 N1R RCY A 173 77.277 -4.689 2.244 1.00 1.00 N HETATM 1432 C1S RCY A 173 75.480 -5.810 3.472 1.00 1.00 C HETATM 1433 C1U RCY A 173 78.049 -3.587 1.515 1.00 1.00 C HETATM 1434 C1V RCY A 173 79.010 -2.815 -0.696 1.00 1.00 C HETATM 1435 N1V RCY A 173 76.583 -3.270 -0.281 1.00 1.00 N HETATM 1436 C1W RCY A 173 76.349 -2.136 0.715 1.00 1.00 C HETATM 1437 C1X RCY A 173 78.005 -3.738 -0.005 1.00 1.00 C HETATM 1438 C1Y RCY A 173 76.455 -0.779 0.015 1.00 1.00 C HETATM 1439 C1Z RCY A 173 74.970 -2.307 1.353 1.00 1.00 C HETATM 0 H1ZB RCY A 173 74.893 -3.301 1.793 1.00 1.00 H new HETATM 0 H1ZA RCY A 173 74.833 -1.555 2.130 1.00 1.00 H new HETATM 0 H1YB RCY A 173 76.369 0.019 0.753 1.00 1.00 H new HETATM 0 H1YA RCY A 173 77.418 -0.704 -0.490 1.00 1.00 H new HETATM 0 H1VB RCY A 173 80.024 -3.127 -0.444 1.00 1.00 H new HETATM 0 H1VA RCY A 173 78.871 -2.869 -1.776 1.00 1.00 H new HETATM 0 H1MA RCY A 173 77.071 -2.231 2.766 1.00 1.00 H new HETATM 0 H1LA RCY A 173 76.584 -7.624 2.915 1.00 1.00 H new HETATM 0 H1CB RCY A 173 79.138 -5.569 -0.083 1.00 1.00 H new HETATM 0 H1CA RCY A 173 77.375 -5.799 -0.009 1.00 1.00 H new HETATM 0 H1Z RCY A 173 74.199 -2.186 0.592 1.00 1.00 H new HETATM 0 H1Y RCY A 173 75.653 -0.684 -0.717 1.00 1.00 H new HETATM 0 H1V RCY A 173 78.852 -1.790 -0.361 1.00 1.00 H new HETATM 0 H1U RCY A 173 79.066 -3.673 1.897 1.00 1.00 H new HETATM 0 H1S RCY A 173 75.376 -5.206 4.373 1.00 1.00 H new HETATM 0 H1M RCY A 173 78.212 -1.509 1.649 1.00 1.00 H new HETATM 0 H1L RCY A 173 76.824 -7.143 4.583 1.00 1.00 H new HETATM 0 H1C RCY A 173 78.140 -5.261 -1.523 1.00 1.00 H new HETATM 1442 C1C RCY A 176 82.585 0.638 3.523 1.00 1.00 C HETATM 1443 O1G RCY A 176 83.728 -2.189 6.279 1.00 1.00 O HETATM 1444 O1H RCY A 176 79.116 -2.052 5.274 1.00 1.00 O HETATM 1445 O1J RCY A 176 82.192 0.176 0.573 1.00 1.00 O HETATM 1446 C1L RCY A 176 81.709 -2.347 7.652 1.00 1.00 C HETATM 1447 C1M RCY A 176 81.157 -2.713 2.872 1.00 1.00 C HETATM 1448 C1P RCY A 176 82.500 -2.161 6.351 1.00 1.00 C HETATM 1449 C1Q RCY A 176 80.204 -1.884 5.821 1.00 1.00 C HETATM 1450 N1R RCY A 176 81.574 -1.937 5.157 1.00 1.00 N HETATM 1451 C1S RCY A 176 80.430 -1.583 7.292 1.00 1.00 C HETATM 1452 C1U RCY A 176 81.922 -1.801 3.673 1.00 1.00 C HETATM 1453 C1V RCY A 176 80.137 -0.018 3.457 1.00 1.00 C HETATM 1454 N1V RCY A 176 81.685 -0.712 1.615 1.00 1.00 N HETATM 1455 C1W RCY A 176 81.154 -2.135 1.452 1.00 1.00 C HETATM 1456 C1X RCY A 176 81.569 -0.427 3.106 1.00 1.00 C HETATM 1457 C1Y RCY A 176 79.732 -2.113 0.883 1.00 1.00 C HETATM 1458 C1Z RCY A 176 82.091 -2.917 0.531 1.00 1.00 C HETATM 0 H1ZB RCY A 176 83.108 -2.870 0.922 1.00 1.00 H new HETATM 0 H1ZA RCY A 176 81.769 -3.957 0.482 1.00 1.00 H new HETATM 0 H1YB RCY A 176 79.337 -3.128 0.852 1.00 1.00 H new HETATM 0 H1YA RCY A 176 79.096 -1.495 1.517 1.00 1.00 H new HETATM 0 H1VB RCY A 176 80.054 0.129 4.534 1.00 1.00 H new HETATM 0 H1VA RCY A 176 79.888 0.911 2.944 1.00 1.00 H new HETATM 0 H1MA RCY A 176 81.599 -3.709 2.886 1.00 1.00 H new HETATM 0 H1LA RCY A 176 81.519 -3.396 7.879 1.00 1.00 H new HETATM 0 H1CB RCY A 176 82.608 0.713 4.610 1.00 1.00 H new HETATM 0 H1CA RCY A 176 83.574 0.361 3.157 1.00 1.00 H new HETATM 0 H1Z RCY A 176 82.066 -2.482 -0.468 1.00 1.00 H new HETATM 0 H1Y RCY A 176 79.750 -1.700 -0.125 1.00 1.00 H new HETATM 0 H1V RCY A 176 79.448 -0.802 3.144 1.00 1.00 H new HETATM 0 H1U RCY A 176 82.995 -1.990 3.629 1.00 1.00 H new HETATM 0 H1S RCY A 176 80.546 -0.513 7.464 1.00 1.00 H new HETATM 0 H1M RCY A 176 80.141 -2.810 3.255 1.00 1.00 H new HETATM 0 H1L RCY A 176 82.220 -1.922 8.516 1.00 1.00 H new HETATM 0 H1C RCY A 176 82.298 1.600 3.099 1.00 1.00 H new HETATM 1461 C1C RCY A 187 83.261 -0.330 -0.022 1.00 1.00 C HETATM 1462 O1G RCY A 187 83.347 2.466 -3.530 1.00 1.00 O HETATM 1463 O1H RCY A 187 84.109 -2.168 -3.032 1.00 1.00 O HETATM 1464 O1J RCY A 187 82.959 2.658 0.201 1.00 1.00 O HETATM 1465 C1L RCY A 187 85.147 0.977 -4.257 1.00 1.00 C HETATM 1466 C1M RCY A 187 80.937 0.975 -2.590 1.00 1.00 C HETATM 1467 C1P RCY A 187 83.837 1.338 -3.546 1.00 1.00 C HETATM 1468 C1Q RCY A 187 84.273 -0.950 -3.095 1.00 1.00 C HETATM 1469 N1R RCY A 187 83.217 0.123 -2.858 1.00 1.00 N HETATM 1470 C1S RCY A 187 85.572 -0.237 -3.424 1.00 1.00 C HETATM 1471 C1U RCY A 187 81.882 0.003 -2.120 1.00 1.00 C HETATM 1472 C1V RCY A 187 80.740 -0.108 0.137 1.00 1.00 C HETATM 1473 N1V RCY A 187 82.134 1.814 -0.659 1.00 1.00 N HETATM 1474 C1W RCY A 187 81.210 2.256 -1.793 1.00 1.00 C HETATM 1475 C1X RCY A 187 82.003 0.298 -0.626 1.00 1.00 C HETATM 1476 C1Y RCY A 187 79.906 2.828 -1.229 1.00 1.00 C HETATM 1477 C1Z RCY A 187 81.930 3.299 -2.647 1.00 1.00 C HETATM 0 H1YB RCY A 187 79.226 3.060 -2.049 1.00 1.00 H new HETATM 0 H1YA RCY A 187 79.442 2.094 -0.570 1.00 1.00 H new HETATM 0 H1VB RCY A 187 80.629 -1.192 0.106 1.00 1.00 H new HETATM 0 H1MA RCY A 187 81.056 1.149 -3.659 1.00 1.00 H new HETATM 0 H1LA RCY A 187 84.997 0.730 -5.308 1.00 1.00 H new HETATM 0 H1CB RCY A 187 83.228 -1.411 -0.155 1.00 1.00 H new HETATM 0 H1CA RCY A 187 84.143 0.070 -0.522 1.00 1.00 H new HETATM 0 H1Y RCY A 187 80.121 3.737 -0.667 1.00 1.00 H new HETATM 0 H1V RCY A 187 79.870 0.359 -0.324 1.00 1.00 H new HETATM 0 H1U RCY A 187 81.565 -1.024 -2.302 1.00 1.00 H new HETATM 0 H1S RCY A 187 86.097 0.068 -2.519 1.00 1.00 H new HETATM 0 H1M RCY A 187 79.914 0.631 -2.435 1.00 1.00 H new HETATM 0 H1L RCY A 187 85.878 1.785 -4.220 1.00 1.00 H new