USER MOD reduce.3.24.130724 H: found=0, std=0, add=798, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 659 hydrogens (20 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 110 RCYH1YB : A 110 RCY C1Y : A 12 SER CA :(H bumps) USER MOD NoAdj-H: A 110 RCYH1SA : A 110 RCY C1S : A 10 CYS SG :(H bumps) USER MOD NoAdj-H: A 110 RCY H1Y : A 110 RCY C1Y : A 12 SER CA :(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 RCYH1VB : A 130 RCY C1V : A 28 PRO CD :(H bumps) USER MOD NoAdj-H: A 130 RCYH1VA : A 130 RCY C1V : A 28 PRO CD :(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 RCYH1CB : A 130 RCY C1C : A 28 PRO CB :(H bumps) USER MOD NoAdj-H: A 130 RCYH1CA : A 130 RCY C1C : A 28 PRO C :(H bumps) USER MOD NoAdj-H: A 130 RCY H1L : A 130 RCY C1L : A 30 CYS N :(H bumps) USER MOD NoAdj-H: A 130 RCY H1C : A 130 RCY C1C : A 28 PRO N :(H bumps) USER MOD NoAdj-H: A 138 RCYH1YA : A 138 RCY C1Y : A 187 RCY C1P :(H bumps) USER MOD NoAdj-H: A 138 RCYH1SA : A 138 RCY C1S : A 38 CYS SG :(H bumps) USER MOD NoAdj-H: A 138 RCY H1Y : A 138 RCY C1Y : A 187 RCY C1P :(H bumps) USER MOD NoAdj-H: A 138 RCY H1C : A 138 RCY C1C : A 187 RCY C1V :(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 H1C : A 150 RCY C1C : A 53 ASP OD2 :(H bumps) USER MOD NoAdj-H: A 160 RCYH1SA : A 160 RCY C1S : A 60 CYS SG :(H bumps) USER MOD NoAdj-H: A 168 RCYH1VB : A 168 RCY C1V : A 173 RCY C1X :(H bumps) USER MOD NoAdj-H: A 168 RCYH1VA : A 168 RCY C1V : A 173 RCY N1V :(H bumps) USER MOD NoAdj-H: A 168 RCYH1SA : A 168 RCY C1S : A 68 CYS SG :(H bumps) USER MOD NoAdj-H: A 168 RCY H1V : A 168 RCY C1V : A 173 RCY C1X :(H bumps) USER MOD NoAdj-H: A 173 RCYH1VB : A 173 RCY C1V : A 168 RCY C1U :(H bumps) USER MOD NoAdj-H: A 173 RCYH1VA : A 173 RCY C1V : A 168 RCY C1V :(H bumps) USER MOD NoAdj-H: A 173 RCYH1SA : A 173 RCY C1S : A 73 CYS SG :(H bumps) USER MOD NoAdj-H: A 173 RCY H1V : A 173 RCY C1V : A 168 RCY C1V :(H bumps) USER MOD NoAdj-H: A 176 RCYH1SA : A 176 RCY C1S : A 76 CYS SG :(H bumps) USER MOD NoAdj-H: A 176 RCYH1LA : A 176 RCY C1L : A 176 RCY C1M :(H bumps) USER MOD NoAdj-H: A 176 RCY H1M : A 176 RCY C1M : A 176 RCY C1L :(H bumps) USER MOD NoAdj-H: A 176 RCY H1L : A 176 RCY C1L : A 176 RCY C1U :(H bumps) USER MOD NoAdj-H: A 187 RCYH1VB : A 187 RCY C1V : A 138 RCY N1V :(H bumps) USER MOD NoAdj-H: A 187 RCYH1VA : A 187 RCY C1V : A 138 RCY C1C :(H bumps) USER MOD NoAdj-H: A 187 RCYH1SA : A 187 RCY C1S : A 87 CYS SG :(H bumps) USER MOD NoAdj-H: A 187 RCY H1V : A 187 RCY C1V : A 138 RCY C1C :(H bumps) USER MOD Set 1.1: A 1 MET CE :methyl 177:sc= 0 (180deg=0) USER MOD Set 1.2: A 2 ASN :FLIP amide:sc= 0 F(o=-0.61,f=0) USER MOD Single : A 1 MET N :NH3+ -173:sc= -0.38 (180deg=-0.476) USER MOD Single : A 7 LYS NZ :NH3+ 153:sc= -0.0987 (180deg=-0.756) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -137:sc= -0.733! USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ -106:sc= -1.48 (180deg=-4.24!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 GLN :FLIP amide:sc= 0 F(o=-1.1,f=0) USER MOD Single : A 34 GLN :FLIP amide:sc= -0.0152 F(o=-1.7!,f=-0.015) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.0207 USER MOD Single : A 37 GLN : amide:sc= -0.0465 X(o=-0.046,f=0) USER MOD Single : A 39 LYS NZ :NH3+ 157:sc= -0.0826 (180deg=-0.594) USER MOD Single : A 40 SER OG : rot 6:sc= 0.659 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.097) USER MOD Single : A 45 LYS NZ :NH3+ -159:sc= -0.013 (180deg=-0.208) USER MOD Single : A 48 GLN : amide:sc= -0.442 X(o=-0.44,f=-0.44) USER MOD Single : A 57 MET CE :methyl -138:sc= 0 (180deg=-0.93) USER MOD Single : A 62 THR OG1 : rot 180:sc= -0.0781 USER MOD Single : A 65 THR OG1 : rot -140:sc= 0 USER MOD Single : A 74 ASN :FLIP amide:sc= -2.11 F(o=-2.8!,f=-2.1) USER MOD Single : A 75 HIS : no HD1:sc= -1.71 K(o=-1.7,f=-2.7!) USER MOD Single : A 79 HIS : no HE2:sc= -0.861 K(o=-0.86,f=-5.1!) USER MOD Single : A 83 GLN :FLIP amide:sc= -9.13! C(o=-16!,f=-9.1!) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 66.613 -22.155 16.556 1.00 1.00 N ATOM 2 CA MET A 1 65.876 -21.345 17.566 1.00 1.00 C ATOM 3 C MET A 1 65.134 -20.207 16.862 1.00 1.00 C ATOM 4 O MET A 1 63.978 -19.948 17.132 1.00 1.00 O ATOM 5 CB MET A 1 66.870 -20.761 18.574 1.00 1.00 C ATOM 6 CG MET A 1 66.111 -20.228 19.791 1.00 1.00 C ATOM 7 SD MET A 1 67.290 -19.782 21.089 1.00 1.00 S ATOM 8 CE MET A 1 67.401 -18.018 20.699 1.00 1.00 C ATOM 0 H1 MET A 1 67.020 -22.995 17.015 1.00 1.00 H new ATOM 0 H2 MET A 1 65.958 -22.453 15.805 1.00 1.00 H new ATOM 0 H3 MET A 1 67.376 -21.583 16.142 1.00 1.00 H new ATOM 0 HA MET A 1 65.159 -21.978 18.088 1.00 1.00 H new ATOM 0 HB2 MET A 1 67.582 -21.526 18.883 1.00 1.00 H new ATOM 0 HB3 MET A 1 67.445 -19.959 18.111 1.00 1.00 H new ATOM 0 HG2 MET A 1 65.517 -19.358 19.510 1.00 1.00 H new ATOM 0 HG3 MET A 1 65.417 -20.983 20.159 1.00 1.00 H new ATOM 0 HE1 MET A 1 68.049 -17.525 21.424 1.00 1.00 H new ATOM 0 HE2 MET A 1 67.815 -17.892 19.698 1.00 1.00 H new ATOM 0 HE3 MET A 1 66.407 -17.573 20.739 1.00 1.00 H new ATOM 17 N ASN A 2 65.792 -19.525 15.961 1.00 1.00 N ATOM 18 CA ASN A 2 65.133 -18.401 15.232 1.00 1.00 C ATOM 19 C ASN A 2 65.121 -18.706 13.732 1.00 1.00 C ATOM 20 O ASN A 2 65.105 -17.813 12.908 1.00 1.00 O ATOM 21 CB ASN A 2 65.912 -17.107 15.482 1.00 1.00 C ATOM 22 CG ASN A 2 65.608 -16.591 16.890 1.00 1.00 C ATOM 23 OD1 ASN A 2 66.517 -16.694 17.820 1.00 1.00 O flip ATOM 24 ND2 ASN A 2 64.531 -16.089 17.146 1.00 1.00 N flip ATOM 0 H ASN A 2 66.762 -19.699 15.698 1.00 1.00 H new ATOM 0 HA ASN A 2 64.110 -18.285 15.589 1.00 1.00 H new ATOM 0 HB2 ASN A 2 66.981 -17.287 15.372 1.00 1.00 H new ATOM 0 HB3 ASN A 2 65.638 -16.356 14.741 1.00 1.00 H new ATOM 0 HD21 ASN A 2 63.820 -16.008 16.419 1.00 1.00 H new ATOM 0 HD22 ASN A 2 64.338 -15.748 18.088 1.00 1.00 H new ATOM 31 N LEU A 3 65.130 -19.960 13.373 1.00 1.00 N ATOM 32 CA LEU A 3 65.119 -20.321 11.927 1.00 1.00 C ATOM 33 C LEU A 3 63.718 -20.088 11.357 1.00 1.00 C ATOM 34 O LEU A 3 63.337 -20.672 10.361 1.00 1.00 O ATOM 35 CB LEU A 3 65.496 -21.797 11.764 1.00 1.00 C ATOM 36 CG LEU A 3 67.008 -21.962 11.929 1.00 1.00 C ATOM 37 CD1 LEU A 3 67.726 -21.294 10.755 1.00 1.00 C ATOM 38 CD2 LEU A 3 67.451 -21.304 13.238 1.00 1.00 C ATOM 0 H LEU A 3 65.144 -20.750 14.018 1.00 1.00 H new ATOM 0 HA LEU A 3 65.839 -19.702 11.392 1.00 1.00 H new ATOM 0 HB2 LEU A 3 64.971 -22.401 12.504 1.00 1.00 H new ATOM 0 HB3 LEU A 3 65.186 -22.156 10.783 1.00 1.00 H new ATOM 0 HG LEU A 3 67.258 -23.023 11.951 1.00 1.00 H new ATOM 0 HD11 LEU A 3 68.803 -21.412 10.873 1.00 1.00 H new ATOM 0 HD12 LEU A 3 67.410 -21.761 9.822 1.00 1.00 H new ATOM 0 HD13 LEU A 3 67.477 -20.233 10.732 1.00 1.00 H new ATOM 0 HD21 LEU A 3 68.528 -21.421 13.357 1.00 1.00 H new ATOM 0 HD22 LEU A 3 67.201 -20.243 13.215 1.00 1.00 H new ATOM 0 HD23 LEU A 3 66.940 -21.779 14.075 1.00 1.00 H new ATOM 50 N GLU A 4 62.947 -19.239 11.980 1.00 1.00 N ATOM 51 CA GLU A 4 61.572 -18.970 11.473 1.00 1.00 C ATOM 52 C GLU A 4 61.651 -18.020 10.272 1.00 1.00 C ATOM 53 O GLU A 4 62.527 -17.181 10.200 1.00 1.00 O ATOM 54 CB GLU A 4 60.742 -18.322 12.583 1.00 1.00 C ATOM 55 CG GLU A 4 60.664 -19.270 13.781 1.00 1.00 C ATOM 56 CD GLU A 4 59.596 -18.772 14.758 1.00 1.00 C ATOM 57 OE1 GLU A 4 59.209 -17.621 14.645 1.00 1.00 O ATOM 58 OE2 GLU A 4 59.184 -19.552 15.601 1.00 1.00 O ATOM 0 H GLU A 4 63.210 -18.720 12.818 1.00 1.00 H new ATOM 0 HA GLU A 4 61.104 -19.905 11.167 1.00 1.00 H new ATOM 0 HB2 GLU A 4 61.192 -17.376 12.883 1.00 1.00 H new ATOM 0 HB3 GLU A 4 59.740 -18.097 12.218 1.00 1.00 H new ATOM 0 HG2 GLU A 4 60.423 -20.278 13.445 1.00 1.00 H new ATOM 0 HG3 GLU A 4 61.632 -19.323 14.280 1.00 1.00 H new ATOM 65 N PRO A 5 60.744 -18.145 9.335 1.00 1.00 N ATOM 66 CA PRO A 5 60.717 -17.279 8.126 1.00 1.00 C ATOM 67 C PRO A 5 61.089 -15.825 8.449 1.00 1.00 C ATOM 68 O PRO A 5 60.949 -15.380 9.571 1.00 1.00 O ATOM 69 CB PRO A 5 59.263 -17.376 7.661 1.00 1.00 C ATOM 70 CG PRO A 5 58.806 -18.731 8.098 1.00 1.00 C ATOM 71 CD PRO A 5 59.641 -19.120 9.324 1.00 1.00 C ATOM 0 HA PRO A 5 61.439 -17.595 7.373 1.00 1.00 H new ATOM 0 HB2 PRO A 5 58.653 -16.591 8.107 1.00 1.00 H new ATOM 0 HB3 PRO A 5 59.186 -17.263 6.580 1.00 1.00 H new ATOM 0 HG2 PRO A 5 57.744 -18.718 8.345 1.00 1.00 H new ATOM 0 HG3 PRO A 5 58.938 -19.458 7.297 1.00 1.00 H new ATOM 0 HD2 PRO A 5 59.053 -19.066 10.240 1.00 1.00 H new ATOM 0 HD3 PRO A 5 60.013 -20.141 9.244 1.00 1.00 H new ATOM 79 N PRO A 6 61.559 -15.090 7.473 1.00 1.00 N ATOM 80 CA PRO A 6 61.955 -13.663 7.662 1.00 1.00 C ATOM 81 C PRO A 6 60.742 -12.752 7.883 1.00 1.00 C ATOM 82 O PRO A 6 59.656 -13.023 7.411 1.00 1.00 O ATOM 83 CB PRO A 6 62.668 -13.306 6.353 1.00 1.00 C ATOM 84 CG PRO A 6 62.116 -14.250 5.337 1.00 1.00 C ATOM 85 CD PRO A 6 61.761 -15.536 6.085 1.00 1.00 C ATOM 0 HA PRO A 6 62.579 -13.527 8.545 1.00 1.00 H new ATOM 0 HB2 PRO A 6 62.479 -12.270 6.072 1.00 1.00 H new ATOM 0 HB3 PRO A 6 63.748 -13.418 6.449 1.00 1.00 H new ATOM 0 HG2 PRO A 6 61.236 -13.827 4.853 1.00 1.00 H new ATOM 0 HG3 PRO A 6 62.847 -14.447 4.553 1.00 1.00 H new ATOM 0 HD2 PRO A 6 60.862 -16.000 5.679 1.00 1.00 H new ATOM 0 HD3 PRO A 6 62.560 -16.274 6.014 1.00 1.00 H new ATOM 93 N LYS A 7 60.921 -11.675 8.598 1.00 1.00 N ATOM 94 CA LYS A 7 59.780 -10.750 8.848 1.00 1.00 C ATOM 95 C LYS A 7 59.330 -10.125 7.526 1.00 1.00 C ATOM 96 O LYS A 7 59.831 -9.099 7.110 1.00 1.00 O ATOM 97 CB LYS A 7 60.223 -9.646 9.811 1.00 1.00 C ATOM 98 CG LYS A 7 60.925 -10.272 11.018 1.00 1.00 C ATOM 99 CD LYS A 7 61.383 -9.168 11.972 1.00 1.00 C ATOM 100 CE LYS A 7 62.325 -9.759 13.023 1.00 1.00 C ATOM 101 NZ LYS A 7 63.581 -10.215 12.364 1.00 1.00 N ATOM 0 H LYS A 7 61.807 -11.396 9.019 1.00 1.00 H new ATOM 0 HA LYS A 7 58.951 -11.305 9.287 1.00 1.00 H new ATOM 0 HB2 LYS A 7 60.896 -8.955 9.304 1.00 1.00 H new ATOM 0 HB3 LYS A 7 59.360 -9.067 10.139 1.00 1.00 H new ATOM 0 HG2 LYS A 7 60.248 -10.954 11.532 1.00 1.00 H new ATOM 0 HG3 LYS A 7 61.781 -10.861 10.689 1.00 1.00 H new ATOM 0 HD2 LYS A 7 61.890 -8.380 11.416 1.00 1.00 H new ATOM 0 HD3 LYS A 7 60.520 -8.711 12.457 1.00 1.00 H new ATOM 0 HE2 LYS A 7 62.552 -9.013 13.785 1.00 1.00 H new ATOM 0 HE3 LYS A 7 61.843 -10.595 13.530 1.00 1.00 H new ATOM 0 HZ1 LYS A 7 64.364 -10.183 13.048 1.00 1.00 H new ATOM 0 HZ2 LYS A 7 63.460 -11.190 12.023 1.00 1.00 H new ATOM 0 HZ3 LYS A 7 63.798 -9.591 11.561 1.00 1.00 H new ATOM 115 N ALA A 8 58.389 -10.737 6.860 1.00 1.00 N ATOM 116 CA ALA A 8 57.908 -10.180 5.563 1.00 1.00 C ATOM 117 C ALA A 8 56.886 -9.071 5.830 1.00 1.00 C ATOM 118 O ALA A 8 56.922 -8.021 5.221 1.00 1.00 O ATOM 119 CB ALA A 8 57.253 -11.294 4.742 1.00 1.00 C ATOM 0 H ALA A 8 57.932 -11.599 7.158 1.00 1.00 H new ATOM 0 HA ALA A 8 58.751 -9.768 5.009 1.00 1.00 H new ATOM 0 HB1 ALA A 8 56.901 -10.888 3.794 1.00 1.00 H new ATOM 0 HB2 ALA A 8 57.982 -12.082 4.551 1.00 1.00 H new ATOM 0 HB3 ALA A 8 56.409 -11.706 5.296 1.00 1.00 H new ATOM 125 N GLU A 9 55.976 -9.297 6.739 1.00 1.00 N ATOM 126 CA GLU A 9 54.953 -8.256 7.047 1.00 1.00 C ATOM 127 C GLU A 9 54.247 -7.830 5.756 1.00 1.00 C ATOM 128 O GLU A 9 53.238 -8.389 5.376 1.00 1.00 O ATOM 129 CB GLU A 9 55.637 -7.040 7.687 1.00 1.00 C ATOM 130 CG GLU A 9 55.699 -7.227 9.204 1.00 1.00 C ATOM 131 CD GLU A 9 54.342 -6.875 9.818 1.00 1.00 C ATOM 132 OE1 GLU A 9 53.444 -7.697 9.732 1.00 1.00 O ATOM 133 OE2 GLU A 9 54.225 -5.791 10.364 1.00 1.00 O ATOM 0 H GLU A 9 55.897 -10.157 7.282 1.00 1.00 H new ATOM 0 HA GLU A 9 54.218 -8.664 7.740 1.00 1.00 H new ATOM 0 HB2 GLU A 9 56.643 -6.921 7.283 1.00 1.00 H new ATOM 0 HB3 GLU A 9 55.087 -6.131 7.444 1.00 1.00 H new ATOM 0 HG2 GLU A 9 55.962 -8.257 9.444 1.00 1.00 H new ATOM 0 HG3 GLU A 9 56.477 -6.592 9.628 1.00 1.00 H new ATOM 140 N CYS A 10 54.766 -6.839 5.084 1.00 1.00 N ATOM 141 CA CYS A 10 54.119 -6.373 3.825 1.00 1.00 C ATOM 142 C CYS A 10 54.345 -7.405 2.718 1.00 1.00 C ATOM 143 O CYS A 10 55.397 -7.463 2.114 1.00 1.00 O ATOM 144 CB CYS A 10 54.728 -5.032 3.405 1.00 1.00 C ATOM 145 SG CYS A 10 53.559 -4.144 2.346 1.00 1.00 S ATOM 0 H CYS A 10 55.610 -6.332 5.352 1.00 1.00 H new ATOM 0 HA CYS A 10 53.049 -6.251 3.992 1.00 1.00 H new ATOM 0 HB2 CYS A 10 54.963 -4.435 4.286 1.00 1.00 H new ATOM 0 HB3 CYS A 10 55.665 -5.197 2.873 1.00 1.00 H new ATOM 150 N ARG A 11 53.360 -8.217 2.443 1.00 1.00 N ATOM 151 CA ARG A 11 53.511 -9.243 1.371 1.00 1.00 C ATOM 152 C ARG A 11 54.858 -9.952 1.518 1.00 1.00 C ATOM 153 O ARG A 11 55.481 -9.913 2.561 1.00 1.00 O ATOM 154 CB ARG A 11 53.444 -8.560 0.003 1.00 1.00 C ATOM 155 CG ARG A 11 52.039 -7.997 -0.219 1.00 1.00 C ATOM 156 CD ARG A 11 51.997 -7.233 -1.544 1.00 1.00 C ATOM 157 NE ARG A 11 50.580 -6.985 -1.930 1.00 1.00 N ATOM 158 CZ ARG A 11 49.872 -7.942 -2.464 1.00 1.00 C ATOM 159 NH1 ARG A 11 50.406 -9.116 -2.661 1.00 1.00 N ATOM 160 NH2 ARG A 11 48.630 -7.724 -2.802 1.00 1.00 N ATOM 0 H ARG A 11 52.456 -8.214 2.915 1.00 1.00 H new ATOM 0 HA ARG A 11 52.708 -9.975 1.457 1.00 1.00 H new ATOM 0 HB2 ARG A 11 54.181 -7.759 -0.052 1.00 1.00 H new ATOM 0 HB3 ARG A 11 53.690 -9.273 -0.784 1.00 1.00 H new ATOM 0 HG2 ARG A 11 51.309 -8.807 -0.231 1.00 1.00 H new ATOM 0 HG3 ARG A 11 51.767 -7.335 0.603 1.00 1.00 H new ATOM 0 HD2 ARG A 11 52.530 -6.287 -1.447 1.00 1.00 H new ATOM 0 HD3 ARG A 11 52.502 -7.805 -2.322 1.00 1.00 H new ATOM 0 HE ARG A 11 50.163 -6.067 -1.777 1.00 1.00 H new ATOM 0 HH11 ARG A 11 51.377 -9.285 -2.398 1.00 1.00 H new ATOM 0 HH12 ARG A 11 49.853 -9.864 -3.078 1.00 1.00 H new ATOM 0 HH21 ARG A 11 48.213 -6.806 -2.649 1.00 1.00 H new ATOM 0 HH22 ARG A 11 48.076 -8.472 -3.220 1.00 1.00 H new ATOM 174 N SER A 12 55.312 -10.600 0.480 1.00 1.00 N ATOM 175 CA SER A 12 56.619 -11.312 0.557 1.00 1.00 C ATOM 176 C SER A 12 57.758 -10.301 0.413 1.00 1.00 C ATOM 177 O SER A 12 58.111 -9.612 1.350 1.00 1.00 O ATOM 178 CB SER A 12 56.705 -12.341 -0.571 1.00 1.00 C ATOM 179 OG SER A 12 55.672 -13.303 -0.408 1.00 1.00 O ATOM 0 H SER A 12 54.834 -10.667 -0.419 1.00 1.00 H new ATOM 0 HA SER A 12 56.702 -11.819 1.518 1.00 1.00 H new ATOM 0 HB2 SER A 12 56.608 -11.847 -1.538 1.00 1.00 H new ATOM 0 HB3 SER A 12 57.679 -12.830 -0.559 1.00 1.00 H new ATOM 0 HG SER A 12 55.723 -13.963 -1.130 1.00 1.00 H new ATOM 185 N ALA A 13 58.337 -10.206 -0.752 1.00 1.00 N ATOM 186 CA ALA A 13 59.452 -9.238 -0.952 1.00 1.00 C ATOM 187 C ALA A 13 59.783 -9.138 -2.443 1.00 1.00 C ATOM 188 O ALA A 13 60.901 -8.851 -2.821 1.00 1.00 O ATOM 189 CB ALA A 13 60.687 -9.718 -0.187 1.00 1.00 C ATOM 0 H ALA A 13 58.087 -10.756 -1.574 1.00 1.00 H new ATOM 0 HA ALA A 13 59.152 -8.258 -0.581 1.00 1.00 H new ATOM 0 HB1 ALA A 13 61.503 -9.010 -0.333 1.00 1.00 H new ATOM 0 HB2 ALA A 13 60.453 -9.788 0.875 1.00 1.00 H new ATOM 0 HB3 ALA A 13 60.986 -10.698 -0.558 1.00 1.00 H new ATOM 195 N THR A 14 58.819 -9.371 -3.293 1.00 1.00 N ATOM 196 CA THR A 14 59.077 -9.286 -4.759 1.00 1.00 C ATOM 197 C THR A 14 58.649 -7.910 -5.266 1.00 1.00 C ATOM 198 O THR A 14 59.353 -6.933 -5.103 1.00 1.00 O ATOM 199 CB THR A 14 58.274 -10.371 -5.483 1.00 1.00 C ATOM 200 OG1 THR A 14 58.057 -9.977 -6.830 1.00 1.00 O ATOM 201 CG2 THR A 14 56.928 -10.566 -4.783 1.00 1.00 C ATOM 0 H THR A 14 57.863 -9.617 -3.035 1.00 1.00 H new ATOM 0 HA THR A 14 60.139 -9.433 -4.953 1.00 1.00 H new ATOM 0 HB THR A 14 58.830 -11.309 -5.463 1.00 1.00 H new ATOM 0 HG1 THR A 14 57.132 -10.177 -7.084 1.00 1.00 H new ATOM 0 HG21 THR A 14 56.358 -11.338 -5.299 1.00 1.00 H new ATOM 0 HG22 THR A 14 57.096 -10.869 -3.749 1.00 1.00 H new ATOM 0 HG23 THR A 14 56.370 -9.630 -4.801 1.00 1.00 H new ATOM 209 N ARG A 15 57.499 -7.823 -5.876 1.00 1.00 N ATOM 210 CA ARG A 15 57.025 -6.507 -6.390 1.00 1.00 C ATOM 211 C ARG A 15 58.087 -5.908 -7.317 1.00 1.00 C ATOM 212 O ARG A 15 59.130 -5.464 -6.878 1.00 1.00 O ATOM 213 CB ARG A 15 56.773 -5.559 -5.210 1.00 1.00 C ATOM 214 CG ARG A 15 55.307 -5.654 -4.782 1.00 1.00 C ATOM 215 CD ARG A 15 55.143 -5.056 -3.383 1.00 1.00 C ATOM 216 NE ARG A 15 56.078 -3.908 -3.221 1.00 1.00 N ATOM 217 CZ ARG A 15 55.830 -2.774 -3.818 1.00 1.00 C ATOM 218 NH1 ARG A 15 54.762 -2.647 -4.557 1.00 1.00 N ATOM 219 NH2 ARG A 15 56.649 -1.768 -3.676 1.00 1.00 N ATOM 0 H ARG A 15 56.867 -8.606 -6.041 1.00 1.00 H new ATOM 0 HA ARG A 15 56.098 -6.645 -6.947 1.00 1.00 H new ATOM 0 HB2 ARG A 15 57.424 -5.819 -4.375 1.00 1.00 H new ATOM 0 HB3 ARG A 15 57.014 -4.535 -5.495 1.00 1.00 H new ATOM 0 HG2 ARG A 15 54.675 -5.122 -5.493 1.00 1.00 H new ATOM 0 HG3 ARG A 15 54.983 -6.695 -4.784 1.00 1.00 H new ATOM 0 HD2 ARG A 15 54.115 -4.725 -3.236 1.00 1.00 H new ATOM 0 HD3 ARG A 15 55.346 -5.814 -2.626 1.00 1.00 H new ATOM 0 HE ARG A 15 56.913 -4.008 -2.643 1.00 1.00 H new ATOM 0 HH11 ARG A 15 54.122 -3.433 -4.668 1.00 1.00 H new ATOM 0 HH12 ARG A 15 54.567 -1.761 -5.024 1.00 1.00 H new ATOM 0 HH21 ARG A 15 57.484 -1.868 -3.098 1.00 1.00 H new ATOM 0 HH22 ARG A 15 56.455 -0.882 -4.143 1.00 1.00 H new ATOM 233 N VAL A 16 57.831 -5.890 -8.596 1.00 1.00 N ATOM 234 CA VAL A 16 58.828 -5.320 -9.545 1.00 1.00 C ATOM 235 C VAL A 16 60.199 -5.940 -9.273 1.00 1.00 C ATOM 236 O VAL A 16 61.184 -5.248 -9.110 1.00 1.00 O ATOM 237 CB VAL A 16 58.904 -3.804 -9.354 1.00 1.00 C ATOM 238 CG1 VAL A 16 59.581 -3.169 -10.570 1.00 1.00 C ATOM 239 CG2 VAL A 16 57.490 -3.238 -9.206 1.00 1.00 C ATOM 0 H VAL A 16 56.976 -6.245 -9.024 1.00 1.00 H new ATOM 0 HA VAL A 16 58.526 -5.541 -10.569 1.00 1.00 H new ATOM 0 HB VAL A 16 59.482 -3.580 -8.458 1.00 1.00 H new ATOM 0 HG11 VAL A 16 59.635 -2.089 -10.434 1.00 1.00 H new ATOM 0 HG12 VAL A 16 60.588 -3.572 -10.677 1.00 1.00 H new ATOM 0 HG13 VAL A 16 59.003 -3.393 -11.467 1.00 1.00 H new ATOM 0 HG21 VAL A 16 57.543 -2.158 -9.070 1.00 1.00 H new ATOM 0 HG22 VAL A 16 56.912 -3.463 -10.103 1.00 1.00 H new ATOM 0 HG23 VAL A 16 57.006 -3.690 -8.340 1.00 1.00 H new ATOM 249 N MET A 17 60.270 -7.243 -9.220 1.00 1.00 N ATOM 250 CA MET A 17 61.575 -7.914 -8.955 1.00 1.00 C ATOM 251 C MET A 17 61.636 -9.228 -9.736 1.00 1.00 C ATOM 252 O MET A 17 61.627 -10.301 -9.167 1.00 1.00 O ATOM 253 CB MET A 17 61.703 -8.204 -7.458 1.00 1.00 C ATOM 254 CG MET A 17 63.112 -8.717 -7.155 1.00 1.00 C ATOM 255 SD MET A 17 63.368 -8.754 -5.363 1.00 1.00 S ATOM 256 CE MET A 17 64.429 -10.219 -5.316 1.00 1.00 C ATOM 0 H MET A 17 59.478 -7.873 -9.349 1.00 1.00 H new ATOM 0 HA MET A 17 62.391 -7.264 -9.270 1.00 1.00 H new ATOM 0 HB2 MET A 17 61.503 -7.300 -6.883 1.00 1.00 H new ATOM 0 HB3 MET A 17 60.962 -8.944 -7.156 1.00 1.00 H new ATOM 0 HG2 MET A 17 63.245 -9.715 -7.573 1.00 1.00 H new ATOM 0 HG3 MET A 17 63.854 -8.073 -7.626 1.00 1.00 H new ATOM 0 HE1 MET A 17 64.713 -10.430 -4.285 1.00 1.00 H new ATOM 0 HE2 MET A 17 63.889 -11.073 -5.726 1.00 1.00 H new ATOM 0 HE3 MET A 17 65.325 -10.038 -5.909 1.00 1.00 H new ATOM 266 N GLY A 18 61.696 -9.151 -11.037 1.00 1.00 N ATOM 267 CA GLY A 18 61.756 -10.396 -11.855 1.00 1.00 C ATOM 268 C GLY A 18 61.954 -10.031 -13.326 1.00 1.00 C ATOM 269 O GLY A 18 62.996 -10.278 -13.901 1.00 1.00 O ATOM 0 H GLY A 18 61.706 -8.281 -11.569 1.00 1.00 H new ATOM 0 HA2 GLY A 18 62.575 -11.029 -11.513 1.00 1.00 H new ATOM 0 HA3 GLY A 18 60.837 -10.969 -11.732 1.00 1.00 H new ATOM 273 N GLY A 19 60.964 -9.444 -13.942 1.00 1.00 N ATOM 274 CA GLY A 19 61.100 -9.066 -15.377 1.00 1.00 C ATOM 275 C GLY A 19 62.117 -7.925 -15.507 1.00 1.00 C ATOM 276 O GLY A 19 62.273 -7.125 -14.606 1.00 1.00 O ATOM 0 H GLY A 19 60.068 -9.210 -13.514 1.00 1.00 H new ATOM 0 HA2 GLY A 19 61.425 -9.926 -15.962 1.00 1.00 H new ATOM 0 HA3 GLY A 19 60.135 -8.755 -15.776 1.00 1.00 H new ATOM 280 N PRO A 20 62.803 -7.847 -16.620 1.00 1.00 N ATOM 281 CA PRO A 20 63.817 -6.784 -16.864 1.00 1.00 C ATOM 282 C PRO A 20 63.344 -5.402 -16.396 1.00 1.00 C ATOM 283 O PRO A 20 62.557 -4.751 -17.054 1.00 1.00 O ATOM 284 CB PRO A 20 63.991 -6.799 -18.384 1.00 1.00 C ATOM 285 CG PRO A 20 63.667 -8.197 -18.801 1.00 1.00 C ATOM 286 CD PRO A 20 62.686 -8.761 -17.768 1.00 1.00 C ATOM 0 HA PRO A 20 64.738 -6.971 -16.312 1.00 1.00 H new ATOM 0 HB2 PRO A 20 63.326 -6.081 -18.864 1.00 1.00 H new ATOM 0 HB3 PRO A 20 65.009 -6.529 -18.667 1.00 1.00 H new ATOM 0 HG2 PRO A 20 63.226 -8.209 -19.798 1.00 1.00 H new ATOM 0 HG3 PRO A 20 64.571 -8.805 -18.845 1.00 1.00 H new ATOM 0 HD2 PRO A 20 61.668 -8.783 -18.157 1.00 1.00 H new ATOM 0 HD3 PRO A 20 62.944 -9.783 -17.491 1.00 1.00 H new ATOM 294 N CYS A 21 63.823 -4.946 -15.271 1.00 1.00 N ATOM 295 CA CYS A 21 63.405 -3.605 -14.774 1.00 1.00 C ATOM 296 C CYS A 21 64.315 -2.535 -15.380 1.00 1.00 C ATOM 297 O CYS A 21 65.438 -2.806 -15.757 1.00 1.00 O ATOM 298 CB CYS A 21 63.515 -3.566 -13.248 1.00 1.00 C ATOM 299 SG CYS A 21 65.216 -3.940 -12.755 1.00 1.00 S ATOM 0 H CYS A 21 64.485 -5.443 -14.675 1.00 1.00 H new ATOM 0 HA CYS A 21 62.372 -3.414 -15.066 1.00 1.00 H new ATOM 0 HB2 CYS A 21 63.226 -2.583 -12.877 1.00 1.00 H new ATOM 0 HB3 CYS A 21 62.830 -4.288 -12.805 1.00 1.00 H new ATOM 304 N THR A 22 63.839 -1.321 -15.483 1.00 1.00 N ATOM 305 CA THR A 22 64.675 -0.231 -16.072 1.00 1.00 C ATOM 306 C THR A 22 64.700 0.971 -15.115 1.00 1.00 C ATOM 307 O THR A 22 63.664 1.491 -14.750 1.00 1.00 O ATOM 308 CB THR A 22 64.068 0.200 -17.409 1.00 1.00 C ATOM 309 OG1 THR A 22 63.734 -0.953 -18.168 1.00 1.00 O ATOM 310 CG2 THR A 22 65.080 1.047 -18.182 1.00 1.00 C ATOM 0 H THR A 22 62.906 -1.037 -15.184 1.00 1.00 H new ATOM 0 HA THR A 22 65.691 -0.593 -16.227 1.00 1.00 H new ATOM 0 HB THR A 22 63.169 0.789 -17.228 1.00 1.00 H new ATOM 0 HG1 THR A 22 63.343 -0.679 -19.024 1.00 1.00 H new ATOM 0 HG21 THR A 22 64.646 1.353 -19.134 1.00 1.00 H new ATOM 0 HG22 THR A 22 65.335 1.931 -17.598 1.00 1.00 H new ATOM 0 HG23 THR A 22 65.980 0.461 -18.365 1.00 1.00 H new ATOM 318 N PRO A 23 65.868 1.416 -14.708 1.00 1.00 N ATOM 319 CA PRO A 23 66.000 2.577 -13.781 1.00 1.00 C ATOM 320 C PRO A 23 65.777 3.919 -14.490 1.00 1.00 C ATOM 321 O PRO A 23 64.727 4.520 -14.383 1.00 1.00 O ATOM 322 CB PRO A 23 67.439 2.470 -13.271 1.00 1.00 C ATOM 323 CG PRO A 23 68.186 1.765 -14.356 1.00 1.00 C ATOM 324 CD PRO A 23 67.180 0.865 -15.083 1.00 1.00 C ATOM 0 HA PRO A 23 65.253 2.549 -12.988 1.00 1.00 H new ATOM 0 HB2 PRO A 23 67.863 3.455 -13.077 1.00 1.00 H new ATOM 0 HB3 PRO A 23 67.485 1.913 -12.335 1.00 1.00 H new ATOM 0 HG2 PRO A 23 68.631 2.482 -15.046 1.00 1.00 H new ATOM 0 HG3 PRO A 23 69.002 1.174 -13.941 1.00 1.00 H new ATOM 0 HD2 PRO A 23 67.329 0.891 -16.162 1.00 1.00 H new ATOM 0 HD3 PRO A 23 67.279 -0.175 -14.773 1.00 1.00 H new ATOM 332 N ARG A 24 66.761 4.392 -15.207 1.00 1.00 N ATOM 333 CA ARG A 24 66.615 5.694 -15.919 1.00 1.00 C ATOM 334 C ARG A 24 66.640 6.837 -14.898 1.00 1.00 C ATOM 335 O ARG A 24 67.656 7.469 -14.687 1.00 1.00 O ATOM 336 CB ARG A 24 65.292 5.708 -16.700 1.00 1.00 C ATOM 337 CG ARG A 24 65.425 6.633 -17.911 1.00 1.00 C ATOM 338 CD ARG A 24 64.087 6.703 -18.650 1.00 1.00 C ATOM 339 NE ARG A 24 64.323 7.084 -20.071 1.00 1.00 N ATOM 340 CZ ARG A 24 64.705 6.183 -20.934 1.00 1.00 C ATOM 341 NH1 ARG A 24 64.879 4.947 -20.553 1.00 1.00 N ATOM 342 NH2 ARG A 24 64.912 6.517 -22.178 1.00 1.00 N ATOM 0 H ARG A 24 67.662 3.931 -15.330 1.00 1.00 H new ATOM 0 HA ARG A 24 67.439 5.825 -16.620 1.00 1.00 H new ATOM 0 HB2 ARG A 24 65.039 4.699 -17.026 1.00 1.00 H new ATOM 0 HB3 ARG A 24 64.481 6.048 -16.056 1.00 1.00 H new ATOM 0 HG2 ARG A 24 65.727 7.630 -17.589 1.00 1.00 H new ATOM 0 HG3 ARG A 24 66.203 6.264 -18.580 1.00 1.00 H new ATOM 0 HD2 ARG A 24 63.581 5.739 -18.600 1.00 1.00 H new ATOM 0 HD3 ARG A 24 63.433 7.431 -18.171 1.00 1.00 H new ATOM 0 HE ARG A 24 64.186 8.050 -20.369 1.00 1.00 H new ATOM 0 HH11 ARG A 24 64.716 4.685 -19.581 1.00 1.00 H new ATOM 0 HH12 ARG A 24 65.178 4.243 -21.228 1.00 1.00 H new ATOM 0 HH21 ARG A 24 64.775 7.483 -22.476 1.00 1.00 H new ATOM 0 HH22 ARG A 24 65.211 5.812 -22.852 1.00 1.00 H new ATOM 356 N LYS A 25 65.533 7.108 -14.263 1.00 1.00 N ATOM 357 CA LYS A 25 65.495 8.208 -13.257 1.00 1.00 C ATOM 358 C LYS A 25 65.928 7.663 -11.893 1.00 1.00 C ATOM 359 O LYS A 25 66.478 6.585 -11.791 1.00 1.00 O ATOM 360 CB LYS A 25 64.066 8.757 -13.167 1.00 1.00 C ATOM 361 CG LYS A 25 63.351 8.536 -14.502 1.00 1.00 C ATOM 362 CD LYS A 25 62.024 9.298 -14.503 1.00 1.00 C ATOM 363 CE LYS A 25 60.989 8.521 -13.687 1.00 1.00 C ATOM 364 NZ LYS A 25 61.212 8.770 -12.235 1.00 1.00 N ATOM 0 H LYS A 25 64.651 6.614 -14.397 1.00 1.00 H new ATOM 0 HA LYS A 25 66.173 9.008 -13.556 1.00 1.00 H new ATOM 0 HB2 LYS A 25 63.523 8.258 -12.364 1.00 1.00 H new ATOM 0 HB3 LYS A 25 64.088 9.820 -12.925 1.00 1.00 H new ATOM 0 HG2 LYS A 25 63.980 8.878 -15.324 1.00 1.00 H new ATOM 0 HG3 LYS A 25 63.172 7.472 -14.659 1.00 1.00 H new ATOM 0 HD2 LYS A 25 62.163 10.293 -14.080 1.00 1.00 H new ATOM 0 HD3 LYS A 25 61.670 9.433 -15.525 1.00 1.00 H new ATOM 0 HE2 LYS A 25 59.982 8.829 -13.969 1.00 1.00 H new ATOM 0 HE3 LYS A 25 61.068 7.455 -13.900 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 61.640 7.928 -11.800 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 61.850 9.583 -12.116 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 60.302 8.974 -11.774 1.00 1.00 H new ATOM 378 N GLY A 26 65.681 8.398 -10.843 1.00 1.00 N ATOM 379 CA GLY A 26 66.075 7.917 -9.487 1.00 1.00 C ATOM 380 C GLY A 26 67.524 8.320 -9.191 1.00 1.00 C ATOM 381 O GLY A 26 68.058 9.228 -9.798 1.00 1.00 O ATOM 0 H GLY A 26 65.224 9.310 -10.865 1.00 1.00 H new ATOM 0 HA2 GLY A 26 65.410 8.340 -8.734 1.00 1.00 H new ATOM 0 HA3 GLY A 26 65.971 6.833 -9.432 1.00 1.00 H new ATOM 385 N PRO A 27 68.152 7.649 -8.259 1.00 1.00 N ATOM 386 CA PRO A 27 69.564 7.937 -7.865 1.00 1.00 C ATOM 387 C PRO A 27 70.488 8.078 -9.083 1.00 1.00 C ATOM 388 O PRO A 27 70.167 7.629 -10.166 1.00 1.00 O ATOM 389 CB PRO A 27 69.955 6.717 -7.024 1.00 1.00 C ATOM 390 CG PRO A 27 68.672 6.207 -6.457 1.00 1.00 C ATOM 391 CD PRO A 27 67.581 6.541 -7.476 1.00 1.00 C ATOM 0 HA PRO A 27 69.657 8.882 -7.330 1.00 1.00 H new ATOM 0 HB2 PRO A 27 70.445 5.958 -7.634 1.00 1.00 H new ATOM 0 HB3 PRO A 27 70.654 6.991 -6.234 1.00 1.00 H new ATOM 0 HG2 PRO A 27 68.725 5.132 -6.284 1.00 1.00 H new ATOM 0 HG3 PRO A 27 68.460 6.674 -5.495 1.00 1.00 H new ATOM 0 HD2 PRO A 27 67.349 5.684 -8.108 1.00 1.00 H new ATOM 0 HD3 PRO A 27 66.653 6.836 -6.985 1.00 1.00 H new ATOM 399 N PRO A 28 71.628 8.699 -8.907 1.00 1.00 N ATOM 400 CA PRO A 28 72.610 8.903 -10.006 1.00 1.00 C ATOM 401 C PRO A 28 72.698 7.693 -10.942 1.00 1.00 C ATOM 402 O PRO A 28 72.449 6.571 -10.549 1.00 1.00 O ATOM 403 CB PRO A 28 73.926 9.109 -9.258 1.00 1.00 C ATOM 404 CG PRO A 28 73.536 9.744 -7.963 1.00 1.00 C ATOM 405 CD PRO A 28 72.112 9.273 -7.641 1.00 1.00 C ATOM 0 HA PRO A 28 72.338 9.735 -10.655 1.00 1.00 H new ATOM 0 HB2 PRO A 28 74.440 8.162 -9.095 1.00 1.00 H new ATOM 0 HB3 PRO A 28 74.606 9.747 -9.822 1.00 1.00 H new ATOM 0 HG2 PRO A 28 74.226 9.456 -7.170 1.00 1.00 H new ATOM 0 HG3 PRO A 28 73.574 10.831 -8.040 1.00 1.00 H new ATOM 0 HD2 PRO A 28 72.108 8.533 -6.841 1.00 1.00 H new ATOM 0 HD3 PRO A 28 71.483 10.101 -7.313 1.00 1.00 H new ATOM 413 N LYS A 29 73.048 7.917 -12.179 1.00 1.00 N ATOM 414 CA LYS A 29 73.150 6.787 -13.147 1.00 1.00 C ATOM 415 C LYS A 29 74.584 6.251 -13.166 1.00 1.00 C ATOM 416 O LYS A 29 75.138 5.898 -12.144 1.00 1.00 O ATOM 417 CB LYS A 29 72.765 7.282 -14.546 1.00 1.00 C ATOM 418 CG LYS A 29 73.643 8.474 -14.932 1.00 1.00 C ATOM 419 CD LYS A 29 72.789 9.533 -15.631 1.00 1.00 C ATOM 420 CE LYS A 29 72.259 8.972 -16.952 1.00 1.00 C ATOM 421 NZ LYS A 29 71.666 10.075 -17.758 1.00 1.00 N ATOM 0 H LYS A 29 73.268 8.836 -12.562 1.00 1.00 H new ATOM 0 HA LYS A 29 72.474 5.987 -12.845 1.00 1.00 H new ATOM 0 HB2 LYS A 29 72.886 6.479 -15.273 1.00 1.00 H new ATOM 0 HB3 LYS A 29 71.714 7.571 -14.563 1.00 1.00 H new ATOM 0 HG2 LYS A 29 74.111 8.898 -14.043 1.00 1.00 H new ATOM 0 HG3 LYS A 29 74.448 8.148 -15.591 1.00 1.00 H new ATOM 0 HD2 LYS A 29 71.958 9.827 -14.989 1.00 1.00 H new ATOM 0 HD3 LYS A 29 73.381 10.429 -15.816 1.00 1.00 H new ATOM 0 HE2 LYS A 29 73.067 8.495 -17.507 1.00 1.00 H new ATOM 0 HE3 LYS A 29 71.509 8.205 -16.759 1.00 1.00 H new ATOM 0 HZ1 LYS A 29 71.306 9.694 -18.656 1.00 1.00 H new ATOM 0 HZ2 LYS A 29 70.884 10.511 -17.228 1.00 1.00 H new ATOM 0 HZ3 LYS A 29 72.393 10.792 -17.953 1.00 1.00 H new ATOM 435 N CYS A 30 75.186 6.184 -14.322 1.00 1.00 N ATOM 436 CA CYS A 30 76.582 5.667 -14.410 1.00 1.00 C ATOM 437 C CYS A 30 76.641 4.261 -13.806 1.00 1.00 C ATOM 438 O CYS A 30 75.642 3.714 -13.384 1.00 1.00 O ATOM 439 CB CYS A 30 77.528 6.596 -13.640 1.00 1.00 C ATOM 440 SG CYS A 30 76.735 8.206 -13.407 1.00 1.00 S ATOM 0 H CYS A 30 74.771 6.465 -15.210 1.00 1.00 H new ATOM 0 HA CYS A 30 76.889 5.629 -15.455 1.00 1.00 H new ATOM 0 HB2 CYS A 30 77.778 6.158 -12.673 1.00 1.00 H new ATOM 0 HB3 CYS A 30 78.463 6.715 -14.187 1.00 1.00 H new ATOM 445 N LYS A 31 77.807 3.673 -13.762 1.00 1.00 N ATOM 446 CA LYS A 31 77.936 2.303 -13.187 1.00 1.00 C ATOM 447 C LYS A 31 79.228 2.215 -12.369 1.00 1.00 C ATOM 448 O LYS A 31 79.698 1.140 -12.053 1.00 1.00 O ATOM 449 CB LYS A 31 77.978 1.281 -14.326 1.00 1.00 C ATOM 450 CG LYS A 31 78.737 1.873 -15.515 1.00 1.00 C ATOM 451 CD LYS A 31 78.933 0.795 -16.584 1.00 1.00 C ATOM 452 CE LYS A 31 77.710 0.757 -17.501 1.00 1.00 C ATOM 453 NZ LYS A 31 77.683 -0.538 -18.239 1.00 1.00 N ATOM 0 H LYS A 31 78.677 4.084 -14.100 1.00 1.00 H new ATOM 0 HA LYS A 31 77.084 2.093 -12.540 1.00 1.00 H new ATOM 0 HB2 LYS A 31 78.465 0.366 -13.990 1.00 1.00 H new ATOM 0 HB3 LYS A 31 76.965 1.012 -14.625 1.00 1.00 H new ATOM 0 HG2 LYS A 31 78.184 2.715 -15.930 1.00 1.00 H new ATOM 0 HG3 LYS A 31 79.704 2.256 -15.188 1.00 1.00 H new ATOM 0 HD2 LYS A 31 79.831 1.004 -17.166 1.00 1.00 H new ATOM 0 HD3 LYS A 31 79.078 -0.177 -16.113 1.00 1.00 H new ATOM 0 HE2 LYS A 31 76.799 0.873 -16.915 1.00 1.00 H new ATOM 0 HE3 LYS A 31 77.744 1.589 -18.205 1.00 1.00 H new ATOM 0 HZ1 LYS A 31 76.851 -0.565 -18.863 1.00 1.00 H new ATOM 0 HZ2 LYS A 31 78.547 -0.630 -18.810 1.00 1.00 H new ATOM 0 HZ3 LYS A 31 77.631 -1.324 -17.560 1.00 1.00 H new ATOM 467 N GLN A 32 79.802 3.337 -12.025 1.00 1.00 N ATOM 468 CA GLN A 32 81.064 3.326 -11.228 1.00 1.00 C ATOM 469 C GLN A 32 82.137 2.530 -11.975 1.00 1.00 C ATOM 470 O GLN A 32 81.984 1.353 -12.234 1.00 1.00 O ATOM 471 CB GLN A 32 80.804 2.686 -9.861 1.00 1.00 C ATOM 472 CG GLN A 32 79.637 3.400 -9.176 1.00 1.00 C ATOM 473 CD GLN A 32 79.242 2.636 -7.911 1.00 1.00 C ATOM 474 OE1 GLN A 32 80.114 1.852 -7.338 1.00 1.00 O flip ATOM 475 NE2 GLN A 32 78.129 2.754 -7.439 1.00 1.00 N flip ATOM 0 H GLN A 32 79.450 4.264 -12.263 1.00 1.00 H new ATOM 0 HA GLN A 32 81.410 4.350 -11.086 1.00 1.00 H new ATOM 0 HB2 GLN A 32 80.576 1.627 -9.981 1.00 1.00 H new ATOM 0 HB3 GLN A 32 81.698 2.751 -9.241 1.00 1.00 H new ATOM 0 HG2 GLN A 32 79.920 4.422 -8.923 1.00 1.00 H new ATOM 0 HG3 GLN A 32 78.787 3.464 -9.855 1.00 1.00 H new ATOM 0 HE21 GLN A 32 77.447 3.367 -7.887 1.00 1.00 H new ATOM 0 HE22 GLN A 32 77.876 2.240 -6.595 1.00 1.00 H new ATOM 484 N ARG A 33 83.223 3.168 -12.328 1.00 1.00 N ATOM 485 CA ARG A 33 84.312 2.457 -13.064 1.00 1.00 C ATOM 486 C ARG A 33 85.649 2.696 -12.358 1.00 1.00 C ATOM 487 O ARG A 33 86.148 3.802 -12.309 1.00 1.00 O ATOM 488 CB ARG A 33 84.388 2.997 -14.495 1.00 1.00 C ATOM 489 CG ARG A 33 83.109 2.630 -15.250 1.00 1.00 C ATOM 490 CD ARG A 33 82.863 3.650 -16.364 1.00 1.00 C ATOM 491 NE ARG A 33 81.600 3.310 -17.078 1.00 1.00 N ATOM 492 CZ ARG A 33 80.913 4.248 -17.671 1.00 1.00 C ATOM 493 NH1 ARG A 33 81.333 5.483 -17.640 1.00 1.00 N ATOM 494 NH2 ARG A 33 79.807 3.950 -18.297 1.00 1.00 N ATOM 0 H ARG A 33 83.403 4.154 -12.138 1.00 1.00 H new ATOM 0 HA ARG A 33 84.101 1.388 -13.085 1.00 1.00 H new ATOM 0 HB2 ARG A 33 84.516 4.079 -14.480 1.00 1.00 H new ATOM 0 HB3 ARG A 33 85.256 2.581 -15.006 1.00 1.00 H new ATOM 0 HG2 ARG A 33 83.198 1.629 -15.672 1.00 1.00 H new ATOM 0 HG3 ARG A 33 82.262 2.613 -14.565 1.00 1.00 H new ATOM 0 HD2 ARG A 33 82.797 4.654 -15.945 1.00 1.00 H new ATOM 0 HD3 ARG A 33 83.700 3.650 -17.063 1.00 1.00 H new ATOM 0 HE ARG A 33 81.272 2.344 -17.103 1.00 1.00 H new ATOM 0 HH11 ARG A 33 82.198 5.715 -17.152 1.00 1.00 H new ATOM 0 HH12 ARG A 33 80.796 6.216 -18.103 1.00 1.00 H new ATOM 0 HH21 ARG A 33 79.480 2.984 -18.323 1.00 1.00 H new ATOM 0 HH22 ARG A 33 79.270 4.683 -18.760 1.00 1.00 H new ATOM 508 N GLN A 34 86.234 1.663 -11.814 1.00 1.00 N ATOM 509 CA GLN A 34 87.540 1.824 -11.113 1.00 1.00 C ATOM 510 C GLN A 34 87.381 2.807 -9.950 1.00 1.00 C ATOM 511 O GLN A 34 88.322 3.101 -9.240 1.00 1.00 O ATOM 512 CB GLN A 34 88.586 2.356 -12.099 1.00 1.00 C ATOM 513 CG GLN A 34 89.988 2.013 -11.591 1.00 1.00 C ATOM 514 CD GLN A 34 91.025 2.833 -12.362 1.00 1.00 C ATOM 515 OE1 GLN A 34 90.629 3.636 -13.311 1.00 1.00 O flip ATOM 516 NE2 GLN A 34 92.207 2.741 -12.097 1.00 1.00 N flip ATOM 0 H GLN A 34 85.863 0.713 -11.825 1.00 1.00 H new ATOM 0 HA GLN A 34 87.866 0.859 -10.725 1.00 1.00 H new ATOM 0 HB2 GLN A 34 88.428 1.918 -13.085 1.00 1.00 H new ATOM 0 HB3 GLN A 34 88.482 3.435 -12.209 1.00 1.00 H new ATOM 0 HG2 GLN A 34 90.062 2.224 -10.524 1.00 1.00 H new ATOM 0 HG3 GLN A 34 90.182 0.948 -11.719 1.00 1.00 H new ATOM 0 HE21 GLN A 34 92.516 2.113 -11.355 1.00 1.00 H new ATOM 0 HE22 GLN A 34 92.891 3.292 -12.617 1.00 1.00 H new ATOM 525 N THR A 35 86.196 3.315 -9.745 1.00 1.00 N ATOM 526 CA THR A 35 85.980 4.274 -8.624 1.00 1.00 C ATOM 527 C THR A 35 85.613 3.498 -7.359 1.00 1.00 C ATOM 528 O THR A 35 85.336 4.071 -6.324 1.00 1.00 O ATOM 529 CB THR A 35 84.841 5.232 -8.983 1.00 1.00 C ATOM 530 OG1 THR A 35 83.740 4.488 -9.485 1.00 1.00 O ATOM 531 CG2 THR A 35 85.319 6.221 -10.047 1.00 1.00 C ATOM 0 H THR A 35 85.369 3.108 -10.305 1.00 1.00 H new ATOM 0 HA THR A 35 86.892 4.845 -8.451 1.00 1.00 H new ATOM 0 HB THR A 35 84.534 5.781 -8.093 1.00 1.00 H new ATOM 0 HG1 THR A 35 83.009 5.099 -9.714 1.00 1.00 H new ATOM 0 HG21 THR A 35 84.507 6.902 -10.301 1.00 1.00 H new ATOM 0 HG22 THR A 35 86.164 6.791 -9.660 1.00 1.00 H new ATOM 0 HG23 THR A 35 85.628 5.675 -10.939 1.00 1.00 H new ATOM 539 N ARG A 36 85.607 2.194 -7.434 1.00 1.00 N ATOM 540 CA ARG A 36 85.256 1.376 -6.239 1.00 1.00 C ATOM 541 C ARG A 36 86.528 1.039 -5.457 1.00 1.00 C ATOM 542 O ARG A 36 86.805 -0.109 -5.170 1.00 1.00 O ATOM 543 CB ARG A 36 84.573 0.083 -6.692 1.00 1.00 C ATOM 544 CG ARG A 36 83.201 0.411 -7.284 1.00 1.00 C ATOM 545 CD ARG A 36 82.474 -0.888 -7.639 1.00 1.00 C ATOM 546 NE ARG A 36 83.202 -1.579 -8.740 1.00 1.00 N ATOM 547 CZ ARG A 36 82.972 -2.840 -8.983 1.00 1.00 C ATOM 548 NH1 ARG A 36 82.104 -3.496 -8.262 1.00 1.00 N ATOM 549 NH2 ARG A 36 83.609 -3.446 -9.948 1.00 1.00 N ATOM 0 H ARG A 36 85.831 1.660 -8.274 1.00 1.00 H new ATOM 0 HA ARG A 36 84.578 1.940 -5.598 1.00 1.00 H new ATOM 0 HB2 ARG A 36 85.189 -0.425 -7.434 1.00 1.00 H new ATOM 0 HB3 ARG A 36 84.463 -0.598 -5.848 1.00 1.00 H new ATOM 0 HG2 ARG A 36 82.613 0.986 -6.569 1.00 1.00 H new ATOM 0 HG3 ARG A 36 83.316 1.031 -8.173 1.00 1.00 H new ATOM 0 HD2 ARG A 36 82.416 -1.536 -6.764 1.00 1.00 H new ATOM 0 HD3 ARG A 36 81.450 -0.673 -7.945 1.00 1.00 H new ATOM 0 HE ARG A 36 83.880 -1.066 -9.304 1.00 1.00 H new ATOM 0 HH11 ARG A 36 81.605 -3.023 -7.508 1.00 1.00 H new ATOM 0 HH12 ARG A 36 81.924 -4.482 -8.452 1.00 1.00 H new ATOM 0 HH21 ARG A 36 84.287 -2.934 -10.512 1.00 1.00 H new ATOM 0 HH22 ARG A 36 83.429 -4.432 -10.138 1.00 1.00 H new ATOM 563 N GLN A 37 87.302 2.031 -5.106 1.00 1.00 N ATOM 564 CA GLN A 37 88.554 1.768 -4.339 1.00 1.00 C ATOM 565 C GLN A 37 88.861 2.966 -3.437 1.00 1.00 C ATOM 566 O GLN A 37 88.899 4.097 -3.880 1.00 1.00 O ATOM 567 CB GLN A 37 89.716 1.547 -5.313 1.00 1.00 C ATOM 568 CG GLN A 37 89.597 2.526 -6.483 1.00 1.00 C ATOM 569 CD GLN A 37 90.814 2.380 -7.397 1.00 1.00 C ATOM 570 OE1 GLN A 37 91.470 3.352 -7.715 1.00 1.00 O ATOM 571 NE2 GLN A 37 91.146 1.197 -7.838 1.00 1.00 N ATOM 0 H GLN A 37 87.121 3.012 -5.317 1.00 1.00 H new ATOM 0 HA GLN A 37 88.423 0.877 -3.726 1.00 1.00 H new ATOM 0 HB2 GLN A 37 90.667 1.692 -4.800 1.00 1.00 H new ATOM 0 HB3 GLN A 37 89.705 0.521 -5.681 1.00 1.00 H new ATOM 0 HG2 GLN A 37 88.683 2.330 -7.043 1.00 1.00 H new ATOM 0 HG3 GLN A 37 89.530 3.548 -6.110 1.00 1.00 H new ATOM 0 HE21 GLN A 37 90.596 0.380 -7.572 1.00 1.00 H new ATOM 0 HE22 GLN A 37 91.956 1.089 -8.449 1.00 1.00 H new ATOM 580 N CYS A 38 89.081 2.725 -2.171 1.00 1.00 N ATOM 581 CA CYS A 38 89.385 3.845 -1.235 1.00 1.00 C ATOM 582 C CYS A 38 90.336 3.349 -0.143 1.00 1.00 C ATOM 583 O CYS A 38 91.457 2.965 -0.413 1.00 1.00 O ATOM 584 CB CYS A 38 88.086 4.343 -0.596 1.00 1.00 C ATOM 585 SG CYS A 38 87.166 5.339 -1.795 1.00 1.00 S ATOM 0 H CYS A 38 89.063 1.798 -1.745 1.00 1.00 H new ATOM 0 HA CYS A 38 89.855 4.662 -1.783 1.00 1.00 H new ATOM 0 HB2 CYS A 38 87.481 3.497 -0.270 1.00 1.00 H new ATOM 0 HB3 CYS A 38 88.309 4.936 0.291 1.00 1.00 H new ATOM 590 N LYS A 39 89.897 3.352 1.089 1.00 1.00 N ATOM 591 CA LYS A 39 90.769 2.879 2.204 1.00 1.00 C ATOM 592 C LYS A 39 90.193 1.581 2.774 1.00 1.00 C ATOM 593 O LYS A 39 89.259 1.593 3.551 1.00 1.00 O ATOM 594 CB LYS A 39 90.816 3.943 3.308 1.00 1.00 C ATOM 595 CG LYS A 39 91.696 5.112 2.861 1.00 1.00 C ATOM 596 CD LYS A 39 90.843 6.136 2.110 1.00 1.00 C ATOM 597 CE LYS A 39 91.745 7.229 1.534 1.00 1.00 C ATOM 598 NZ LYS A 39 92.624 6.644 0.483 1.00 1.00 N ATOM 0 H LYS A 39 88.968 3.663 1.371 1.00 1.00 H new ATOM 0 HA LYS A 39 91.778 2.703 1.830 1.00 1.00 H new ATOM 0 HB2 LYS A 39 89.809 4.297 3.528 1.00 1.00 H new ATOM 0 HB3 LYS A 39 91.210 3.510 4.227 1.00 1.00 H new ATOM 0 HG2 LYS A 39 92.165 5.579 3.727 1.00 1.00 H new ATOM 0 HG3 LYS A 39 92.499 4.751 2.219 1.00 1.00 H new ATOM 0 HD2 LYS A 39 90.290 5.646 1.308 1.00 1.00 H new ATOM 0 HD3 LYS A 39 90.107 6.575 2.783 1.00 1.00 H new ATOM 0 HE2 LYS A 39 91.139 8.031 1.112 1.00 1.00 H new ATOM 0 HE3 LYS A 39 92.351 7.670 2.326 1.00 1.00 H new ATOM 0 HZ1 LYS A 39 92.940 7.395 -0.163 1.00 1.00 H new ATOM 0 HZ2 LYS A 39 93.452 6.201 0.930 1.00 1.00 H new ATOM 0 HZ3 LYS A 39 92.094 5.927 -0.053 1.00 1.00 H new ATOM 612 N SER A 40 90.741 0.460 2.391 1.00 1.00 N ATOM 613 CA SER A 40 90.223 -0.838 2.907 1.00 1.00 C ATOM 614 C SER A 40 90.446 -0.917 4.419 1.00 1.00 C ATOM 615 O SER A 40 90.000 -1.838 5.074 1.00 1.00 O ATOM 616 CB SER A 40 90.960 -1.989 2.223 1.00 1.00 C ATOM 617 OG SER A 40 90.793 -3.174 2.989 1.00 1.00 O ATOM 0 H SER A 40 91.525 0.387 1.743 1.00 1.00 H new ATOM 0 HA SER A 40 89.156 -0.911 2.695 1.00 1.00 H new ATOM 0 HB2 SER A 40 90.573 -2.136 1.215 1.00 1.00 H new ATOM 0 HB3 SER A 40 92.019 -1.751 2.126 1.00 1.00 H new ATOM 0 HG SER A 40 90.171 -3.002 3.726 1.00 1.00 H new ATOM 623 N LYS A 41 91.134 0.040 4.980 1.00 1.00 N ATOM 624 CA LYS A 41 91.382 0.014 6.448 1.00 1.00 C ATOM 625 C LYS A 41 90.046 0.173 7.187 1.00 1.00 C ATOM 626 O LYS A 41 89.122 0.776 6.678 1.00 1.00 O ATOM 627 CB LYS A 41 92.339 1.160 6.819 1.00 1.00 C ATOM 628 CG LYS A 41 91.532 2.402 7.202 1.00 1.00 C ATOM 629 CD LYS A 41 92.444 3.630 7.183 1.00 1.00 C ATOM 630 CE LYS A 41 91.887 4.695 8.131 1.00 1.00 C ATOM 631 NZ LYS A 41 92.797 5.875 8.140 1.00 1.00 N ATOM 0 H LYS A 41 91.534 0.837 4.485 1.00 1.00 H new ATOM 0 HA LYS A 41 91.836 -0.934 6.736 1.00 1.00 H new ATOM 0 HB2 LYS A 41 92.978 0.859 7.650 1.00 1.00 H new ATOM 0 HB3 LYS A 41 92.995 1.386 5.978 1.00 1.00 H new ATOM 0 HG2 LYS A 41 90.705 2.540 6.506 1.00 1.00 H new ATOM 0 HG3 LYS A 41 91.097 2.274 8.193 1.00 1.00 H new ATOM 0 HD2 LYS A 41 93.453 3.351 7.485 1.00 1.00 H new ATOM 0 HD3 LYS A 41 92.513 4.029 6.171 1.00 1.00 H new ATOM 0 HE2 LYS A 41 90.888 4.994 7.813 1.00 1.00 H new ATOM 0 HE3 LYS A 41 91.792 4.288 9.138 1.00 1.00 H new ATOM 0 HZ1 LYS A 41 92.420 6.599 8.784 1.00 1.00 H new ATOM 0 HZ2 LYS A 41 93.741 5.583 8.463 1.00 1.00 H new ATOM 0 HZ3 LYS A 41 92.866 6.268 7.179 1.00 1.00 H new ATOM 645 N PRO A 42 89.941 -0.362 8.377 1.00 1.00 N ATOM 646 CA PRO A 42 88.691 -0.270 9.188 1.00 1.00 C ATOM 647 C PRO A 42 88.432 1.159 9.683 1.00 1.00 C ATOM 648 O PRO A 42 89.325 1.983 9.714 1.00 1.00 O ATOM 649 CB PRO A 42 88.949 -1.214 10.368 1.00 1.00 C ATOM 650 CG PRO A 42 90.435 -1.292 10.490 1.00 1.00 C ATOM 651 CD PRO A 42 90.998 -1.107 9.080 1.00 1.00 C ATOM 0 HA PRO A 42 87.808 -0.538 8.608 1.00 1.00 H new ATOM 0 HB2 PRO A 42 88.498 -0.832 11.284 1.00 1.00 H new ATOM 0 HB3 PRO A 42 88.517 -2.198 10.187 1.00 1.00 H new ATOM 0 HG2 PRO A 42 90.810 -0.520 11.162 1.00 1.00 H new ATOM 0 HG3 PRO A 42 90.740 -2.252 10.906 1.00 1.00 H new ATOM 0 HD2 PRO A 42 91.937 -0.553 9.093 1.00 1.00 H new ATOM 0 HD3 PRO A 42 91.199 -2.065 8.600 1.00 1.00 H new ATOM 659 N PRO A 43 87.217 1.447 10.069 1.00 1.00 N ATOM 660 CA PRO A 43 86.830 2.798 10.573 1.00 1.00 C ATOM 661 C PRO A 43 87.417 3.087 11.959 1.00 1.00 C ATOM 662 O PRO A 43 87.874 2.197 12.648 1.00 1.00 O ATOM 663 CB PRO A 43 85.300 2.739 10.635 1.00 1.00 C ATOM 664 CG PRO A 43 84.971 1.291 10.788 1.00 1.00 C ATOM 665 CD PRO A 43 86.078 0.515 10.071 1.00 1.00 C ATOM 0 HA PRO A 43 87.206 3.595 9.932 1.00 1.00 H new ATOM 0 HB2 PRO A 43 84.917 3.321 11.473 1.00 1.00 H new ATOM 0 HB3 PRO A 43 84.853 3.151 9.730 1.00 1.00 H new ATOM 0 HG2 PRO A 43 84.922 1.014 11.841 1.00 1.00 H new ATOM 0 HG3 PRO A 43 83.997 1.067 10.354 1.00 1.00 H new ATOM 0 HD2 PRO A 43 86.320 -0.411 10.593 1.00 1.00 H new ATOM 0 HD3 PRO A 43 85.783 0.242 9.058 1.00 1.00 H new ATOM 673 N LYS A 44 87.408 4.325 12.371 1.00 1.00 N ATOM 674 CA LYS A 44 87.964 4.670 13.710 1.00 1.00 C ATOM 675 C LYS A 44 87.003 4.189 14.799 1.00 1.00 C ATOM 676 O LYS A 44 86.678 4.913 15.719 1.00 1.00 O ATOM 677 CB LYS A 44 88.137 6.189 13.813 1.00 1.00 C ATOM 678 CG LYS A 44 89.170 6.517 14.892 1.00 1.00 C ATOM 679 CD LYS A 44 90.570 6.520 14.275 1.00 1.00 C ATOM 680 CE LYS A 44 91.620 6.535 15.389 1.00 1.00 C ATOM 681 NZ LYS A 44 91.544 7.828 16.125 1.00 1.00 N ATOM 0 H LYS A 44 87.040 5.113 11.838 1.00 1.00 H new ATOM 0 HA LYS A 44 88.931 4.185 13.840 1.00 1.00 H new ATOM 0 HB2 LYS A 44 88.458 6.594 12.853 1.00 1.00 H new ATOM 0 HB3 LYS A 44 87.183 6.658 14.054 1.00 1.00 H new ATOM 0 HG2 LYS A 44 88.954 7.490 15.334 1.00 1.00 H new ATOM 0 HG3 LYS A 44 89.117 5.783 15.696 1.00 1.00 H new ATOM 0 HD2 LYS A 44 90.704 5.639 13.647 1.00 1.00 H new ATOM 0 HD3 LYS A 44 90.694 7.392 13.633 1.00 1.00 H new ATOM 0 HE2 LYS A 44 91.451 5.704 16.074 1.00 1.00 H new ATOM 0 HE3 LYS A 44 92.616 6.403 14.967 1.00 1.00 H new ATOM 0 HZ1 LYS A 44 92.350 7.904 16.778 1.00 1.00 H new ATOM 0 HZ2 LYS A 44 91.573 8.616 15.447 1.00 1.00 H new ATOM 0 HZ3 LYS A 44 90.656 7.868 16.665 1.00 1.00 H new ATOM 695 N LYS A 45 86.544 2.972 14.700 1.00 1.00 N ATOM 696 CA LYS A 45 85.602 2.443 15.727 1.00 1.00 C ATOM 697 C LYS A 45 84.429 3.412 15.891 1.00 1.00 C ATOM 698 O LYS A 45 84.479 4.332 16.683 1.00 1.00 O ATOM 699 CB LYS A 45 86.330 2.295 17.064 1.00 1.00 C ATOM 700 CG LYS A 45 87.518 1.345 16.898 1.00 1.00 C ATOM 701 CD LYS A 45 88.340 1.325 18.188 1.00 1.00 C ATOM 702 CE LYS A 45 89.381 2.446 18.148 1.00 1.00 C ATOM 703 NZ LYS A 45 90.490 2.061 17.231 1.00 1.00 N ATOM 0 H LYS A 45 86.781 2.320 13.952 1.00 1.00 H new ATOM 0 HA LYS A 45 85.229 1.470 15.408 1.00 1.00 H new ATOM 0 HB2 LYS A 45 86.676 3.269 17.411 1.00 1.00 H new ATOM 0 HB3 LYS A 45 85.647 1.911 17.821 1.00 1.00 H new ATOM 0 HG2 LYS A 45 87.164 0.341 16.664 1.00 1.00 H new ATOM 0 HG3 LYS A 45 88.140 1.666 16.063 1.00 1.00 H new ATOM 0 HD2 LYS A 45 87.686 1.453 19.050 1.00 1.00 H new ATOM 0 HD3 LYS A 45 88.834 0.360 18.302 1.00 1.00 H new ATOM 0 HE2 LYS A 45 88.920 3.373 17.809 1.00 1.00 H new ATOM 0 HE3 LYS A 45 89.770 2.631 19.149 1.00 1.00 H new ATOM 0 HZ1 LYS A 45 91.339 2.617 17.460 1.00 1.00 H new ATOM 0 HZ2 LYS A 45 90.699 1.048 17.344 1.00 1.00 H new ATOM 0 HZ3 LYS A 45 90.208 2.248 16.248 1.00 1.00 H new ATOM 717 N GLY A 46 83.374 3.210 15.147 1.00 1.00 N ATOM 718 CA GLY A 46 82.191 4.115 15.254 1.00 1.00 C ATOM 719 C GLY A 46 80.916 3.275 15.335 1.00 1.00 C ATOM 720 O GLY A 46 80.102 3.276 14.432 1.00 1.00 O ATOM 0 H GLY A 46 83.280 2.455 14.468 1.00 1.00 H new ATOM 0 HA2 GLY A 46 82.281 4.746 16.138 1.00 1.00 H new ATOM 0 HA3 GLY A 46 82.148 4.779 14.391 1.00 1.00 H new ATOM 724 N VAL A 47 80.735 2.557 16.409 1.00 1.00 N ATOM 725 CA VAL A 47 79.514 1.717 16.549 1.00 1.00 C ATOM 726 C VAL A 47 78.278 2.547 16.197 1.00 1.00 C ATOM 727 O VAL A 47 77.300 2.037 15.689 1.00 1.00 O ATOM 728 CB VAL A 47 79.407 1.219 17.992 1.00 1.00 C ATOM 729 CG1 VAL A 47 79.090 2.396 18.917 1.00 1.00 C ATOM 730 CG2 VAL A 47 78.288 0.180 18.090 1.00 1.00 C ATOM 0 H VAL A 47 81.382 2.516 17.197 1.00 1.00 H new ATOM 0 HA VAL A 47 79.577 0.864 15.873 1.00 1.00 H new ATOM 0 HB VAL A 47 80.353 0.767 18.291 1.00 1.00 H new ATOM 0 HG11 VAL A 47 79.014 2.041 19.945 1.00 1.00 H new ATOM 0 HG12 VAL A 47 79.885 3.138 18.847 1.00 1.00 H new ATOM 0 HG13 VAL A 47 78.144 2.849 18.619 1.00 1.00 H new ATOM 0 HG21 VAL A 47 78.211 -0.176 19.117 1.00 1.00 H new ATOM 0 HG22 VAL A 47 77.343 0.634 17.791 1.00 1.00 H new ATOM 0 HG23 VAL A 47 78.512 -0.659 17.431 1.00 1.00 H new ATOM 740 N GLN A 48 78.318 3.826 16.461 1.00 1.00 N ATOM 741 CA GLN A 48 77.148 4.695 16.141 1.00 1.00 C ATOM 742 C GLN A 48 77.650 6.051 15.639 1.00 1.00 C ATOM 743 O GLN A 48 77.092 7.085 15.948 1.00 1.00 O ATOM 744 CB GLN A 48 76.302 4.897 17.401 1.00 1.00 C ATOM 745 CG GLN A 48 75.447 3.653 17.646 1.00 1.00 C ATOM 746 CD GLN A 48 74.328 3.588 16.605 1.00 1.00 C ATOM 747 OE1 GLN A 48 74.500 3.017 15.546 1.00 1.00 O ATOM 748 NE2 GLN A 48 73.180 4.154 16.861 1.00 1.00 N ATOM 0 H GLN A 48 79.111 4.307 16.885 1.00 1.00 H new ATOM 0 HA GLN A 48 76.540 4.222 15.370 1.00 1.00 H new ATOM 0 HB2 GLN A 48 76.948 5.082 18.259 1.00 1.00 H new ATOM 0 HB3 GLN A 48 75.664 5.773 17.287 1.00 1.00 H new ATOM 0 HG2 GLN A 48 76.065 2.757 17.587 1.00 1.00 H new ATOM 0 HG3 GLN A 48 75.023 3.682 18.650 1.00 1.00 H new ATOM 0 HE21 GLN A 48 73.035 4.633 17.749 1.00 1.00 H new ATOM 0 HE22 GLN A 48 72.428 4.117 16.173 1.00 1.00 H new ATOM 757 N GLY A 49 78.701 6.052 14.865 1.00 1.00 N ATOM 758 CA GLY A 49 79.242 7.338 14.339 1.00 1.00 C ATOM 759 C GLY A 49 79.999 7.075 13.036 1.00 1.00 C ATOM 760 O GLY A 49 80.610 7.961 12.476 1.00 1.00 O ATOM 0 H GLY A 49 79.209 5.217 14.574 1.00 1.00 H new ATOM 0 HA2 GLY A 49 78.429 8.043 14.164 1.00 1.00 H new ATOM 0 HA3 GLY A 49 79.907 7.793 15.073 1.00 1.00 H new ATOM 764 N CYS A 50 79.959 5.858 12.557 1.00 1.00 N ATOM 765 CA CYS A 50 80.670 5.511 11.291 1.00 1.00 C ATOM 766 C CYS A 50 82.019 6.233 11.236 1.00 1.00 C ATOM 767 O CYS A 50 82.209 7.157 10.471 1.00 1.00 O ATOM 768 CB CYS A 50 79.815 5.928 10.091 1.00 1.00 C ATOM 769 SG CYS A 50 79.606 7.726 10.092 1.00 1.00 S ATOM 0 H CYS A 50 79.459 5.083 12.993 1.00 1.00 H new ATOM 0 HA CYS A 50 80.839 4.435 11.260 1.00 1.00 H new ATOM 0 HB2 CYS A 50 80.290 5.607 9.164 1.00 1.00 H new ATOM 0 HB3 CYS A 50 78.842 5.438 10.137 1.00 1.00 H new ATOM 774 N GLY A 51 82.959 5.813 12.039 1.00 1.00 N ATOM 775 CA GLY A 51 84.300 6.466 12.033 1.00 1.00 C ATOM 776 C GLY A 51 84.141 7.987 12.103 1.00 1.00 C ATOM 777 O GLY A 51 85.087 8.727 11.922 1.00 1.00 O ATOM 0 H GLY A 51 82.856 5.044 12.701 1.00 1.00 H new ATOM 0 HA2 GLY A 51 84.889 6.114 12.880 1.00 1.00 H new ATOM 0 HA3 GLY A 51 84.844 6.190 11.130 1.00 1.00 H new ATOM 781 N ASP A 52 82.954 8.459 12.366 1.00 1.00 N ATOM 782 CA ASP A 52 82.737 9.932 12.449 1.00 1.00 C ATOM 783 C ASP A 52 83.413 10.619 11.260 1.00 1.00 C ATOM 784 O ASP A 52 83.646 11.812 11.271 1.00 1.00 O ATOM 785 CB ASP A 52 83.338 10.462 13.753 1.00 1.00 C ATOM 786 CG ASP A 52 82.514 9.956 14.939 1.00 1.00 C ATOM 787 OD1 ASP A 52 81.299 10.020 14.861 1.00 1.00 O ATOM 788 OD2 ASP A 52 83.114 9.514 15.905 1.00 1.00 O ATOM 0 H ASP A 52 82.124 7.889 12.527 1.00 1.00 H new ATOM 0 HA ASP A 52 81.668 10.142 12.428 1.00 1.00 H new ATOM 0 HB2 ASP A 52 84.373 10.133 13.849 1.00 1.00 H new ATOM 0 HB3 ASP A 52 83.350 11.552 13.744 1.00 1.00 H new ATOM 793 N ASP A 53 83.731 9.877 10.234 1.00 1.00 N ATOM 794 CA ASP A 53 84.393 10.490 9.047 1.00 1.00 C ATOM 795 C ASP A 53 83.335 11.112 8.133 1.00 1.00 C ATOM 796 O ASP A 53 82.158 10.831 8.247 1.00 1.00 O ATOM 797 CB ASP A 53 85.163 9.414 8.279 1.00 1.00 C ATOM 798 CG ASP A 53 84.200 8.304 7.852 1.00 1.00 C ATOM 799 OD1 ASP A 53 83.228 8.087 8.556 1.00 1.00 O ATOM 800 OD2 ASP A 53 84.452 7.691 6.828 1.00 1.00 O ATOM 0 H ASP A 53 83.561 8.874 10.166 1.00 1.00 H new ATOM 0 HA ASP A 53 85.085 11.265 9.379 1.00 1.00 H new ATOM 0 HB2 ASP A 53 85.643 9.851 7.403 1.00 1.00 H new ATOM 0 HB3 ASP A 53 85.955 9.002 8.904 1.00 1.00 H new ATOM 805 N ILE A 54 83.746 11.957 7.226 1.00 1.00 N ATOM 806 CA ILE A 54 82.769 12.603 6.302 1.00 1.00 C ATOM 807 C ILE A 54 83.459 12.910 4.968 1.00 1.00 C ATOM 808 O ILE A 54 83.912 14.014 4.740 1.00 1.00 O ATOM 809 CB ILE A 54 82.269 13.911 6.928 1.00 1.00 C ATOM 810 CG1 ILE A 54 83.412 14.576 7.698 1.00 1.00 C ATOM 811 CG2 ILE A 54 81.117 13.611 7.888 1.00 1.00 C ATOM 812 CD1 ILE A 54 83.025 16.014 8.047 1.00 1.00 C ATOM 0 H ILE A 54 84.719 12.229 7.085 1.00 1.00 H new ATOM 0 HA ILE A 54 81.927 11.933 6.132 1.00 1.00 H new ATOM 0 HB ILE A 54 81.921 14.580 6.141 1.00 1.00 H new ATOM 0 HG12 ILE A 54 83.626 14.015 8.608 1.00 1.00 H new ATOM 0 HG13 ILE A 54 84.322 14.569 7.097 1.00 1.00 H new ATOM 0 HG21 ILE A 54 80.762 14.541 8.332 1.00 1.00 H new ATOM 0 HG22 ILE A 54 80.302 13.136 7.341 1.00 1.00 H new ATOM 0 HG23 ILE A 54 81.464 12.942 8.675 1.00 1.00 H new ATOM 0 HD11 ILE A 54 83.840 16.487 8.595 1.00 1.00 H new ATOM 0 HD12 ILE A 54 82.833 16.572 7.130 1.00 1.00 H new ATOM 0 HD13 ILE A 54 82.127 16.009 8.664 1.00 1.00 H new ATOM 824 N PRO A 55 83.541 11.941 4.092 1.00 1.00 N ATOM 825 CA PRO A 55 84.189 12.115 2.763 1.00 1.00 C ATOM 826 C PRO A 55 83.265 12.810 1.756 1.00 1.00 C ATOM 827 O PRO A 55 83.662 13.729 1.068 1.00 1.00 O ATOM 828 CB PRO A 55 84.489 10.680 2.326 1.00 1.00 C ATOM 829 CG PRO A 55 83.445 9.843 2.991 1.00 1.00 C ATOM 830 CD PRO A 55 83.028 10.573 4.272 1.00 1.00 C ATOM 0 HA PRO A 55 85.075 12.748 2.815 1.00 1.00 H new ATOM 0 HB2 PRO A 55 84.442 10.580 1.242 1.00 1.00 H new ATOM 0 HB3 PRO A 55 85.491 10.376 2.631 1.00 1.00 H new ATOM 0 HG2 PRO A 55 82.588 9.702 2.332 1.00 1.00 H new ATOM 0 HG3 PRO A 55 83.836 8.852 3.223 1.00 1.00 H new ATOM 0 HD2 PRO A 55 81.945 10.567 4.399 1.00 1.00 H new ATOM 0 HD3 PRO A 55 83.455 10.101 5.157 1.00 1.00 H new ATOM 838 N GLY A 56 82.037 12.378 1.667 1.00 1.00 N ATOM 839 CA GLY A 56 81.092 13.014 0.706 1.00 1.00 C ATOM 840 C GLY A 56 80.591 14.339 1.283 1.00 1.00 C ATOM 841 O GLY A 56 79.655 14.930 0.782 1.00 1.00 O ATOM 0 H GLY A 56 81.647 11.613 2.218 1.00 1.00 H new ATOM 0 HA2 GLY A 56 81.589 13.186 -0.249 1.00 1.00 H new ATOM 0 HA3 GLY A 56 80.251 12.348 0.512 1.00 1.00 H new ATOM 845 N MET A 57 81.206 14.812 2.332 1.00 1.00 N ATOM 846 CA MET A 57 80.763 16.099 2.939 1.00 1.00 C ATOM 847 C MET A 57 79.244 16.081 3.119 1.00 1.00 C ATOM 848 O MET A 57 78.611 17.112 3.235 1.00 1.00 O ATOM 849 CB MET A 57 81.152 17.258 2.017 1.00 1.00 C ATOM 850 CG MET A 57 82.600 17.082 1.556 1.00 1.00 C ATOM 851 SD MET A 57 83.674 16.892 3.000 1.00 1.00 S ATOM 852 CE MET A 57 85.171 16.405 2.108 1.00 1.00 C ATOM 0 H MET A 57 81.996 14.363 2.795 1.00 1.00 H new ATOM 0 HA MET A 57 81.243 16.228 3.909 1.00 1.00 H new ATOM 0 HB2 MET A 57 80.486 17.289 1.155 1.00 1.00 H new ATOM 0 HB3 MET A 57 81.039 18.207 2.541 1.00 1.00 H new ATOM 0 HG2 MET A 57 82.683 16.208 0.910 1.00 1.00 H new ATOM 0 HG3 MET A 57 82.913 17.945 0.968 1.00 1.00 H new ATOM 0 HE1 MET A 57 85.664 15.592 2.641 1.00 1.00 H new ATOM 0 HE2 MET A 57 84.905 16.072 1.105 1.00 1.00 H new ATOM 0 HE3 MET A 57 85.847 17.257 2.040 1.00 1.00 H new ATOM 862 N GLU A 58 78.654 14.917 3.142 1.00 1.00 N ATOM 863 CA GLU A 58 77.175 14.833 3.311 1.00 1.00 C ATOM 864 C GLU A 58 76.499 15.834 2.371 1.00 1.00 C ATOM 865 O GLU A 58 76.306 16.985 2.709 1.00 1.00 O ATOM 866 CB GLU A 58 76.808 15.160 4.763 1.00 1.00 C ATOM 867 CG GLU A 58 75.440 14.559 5.092 1.00 1.00 C ATOM 868 CD GLU A 58 74.927 15.147 6.408 1.00 1.00 C ATOM 869 OE1 GLU A 58 74.914 16.362 6.526 1.00 1.00 O ATOM 870 OE2 GLU A 58 74.555 14.374 7.275 1.00 1.00 O ATOM 0 H GLU A 58 79.132 14.021 3.051 1.00 1.00 H new ATOM 0 HA GLU A 58 76.836 13.825 3.071 1.00 1.00 H new ATOM 0 HB2 GLU A 58 77.564 14.761 5.439 1.00 1.00 H new ATOM 0 HB3 GLU A 58 76.787 16.240 4.910 1.00 1.00 H new ATOM 0 HG2 GLU A 58 74.735 14.770 4.288 1.00 1.00 H new ATOM 0 HG3 GLU A 58 75.517 13.475 5.171 1.00 1.00 H new ATOM 877 N GLY A 59 76.140 15.407 1.190 1.00 1.00 N ATOM 878 CA GLY A 59 75.481 16.338 0.231 1.00 1.00 C ATOM 879 C GLY A 59 74.723 15.536 -0.829 1.00 1.00 C ATOM 880 O GLY A 59 75.150 15.426 -1.961 1.00 1.00 O ATOM 0 H GLY A 59 76.275 14.455 0.849 1.00 1.00 H new ATOM 0 HA2 GLY A 59 74.794 16.997 0.763 1.00 1.00 H new ATOM 0 HA3 GLY A 59 76.228 16.973 -0.245 1.00 1.00 H new ATOM 884 N CYS A 60 73.599 14.977 -0.470 1.00 1.00 N ATOM 885 CA CYS A 60 72.808 14.183 -1.453 1.00 1.00 C ATOM 886 C CYS A 60 71.340 14.162 -1.025 1.00 1.00 C ATOM 887 O CYS A 60 70.446 14.358 -1.824 1.00 1.00 O ATOM 888 CB CYS A 60 73.343 12.751 -1.502 1.00 1.00 C ATOM 889 SG CYS A 60 75.090 12.775 -1.974 1.00 1.00 S ATOM 0 H CYS A 60 73.194 15.036 0.464 1.00 1.00 H new ATOM 0 HA CYS A 60 72.895 14.637 -2.440 1.00 1.00 H new ATOM 0 HB2 CYS A 60 73.225 12.274 -0.529 1.00 1.00 H new ATOM 0 HB3 CYS A 60 72.770 12.162 -2.218 1.00 1.00 H new ATOM 894 N GLY A 61 71.091 13.925 0.231 1.00 1.00 N ATOM 895 CA GLY A 61 69.686 13.888 0.727 1.00 1.00 C ATOM 896 C GLY A 61 69.697 13.918 2.255 1.00 1.00 C ATOM 897 O GLY A 61 68.826 14.487 2.883 1.00 1.00 O ATOM 0 H GLY A 61 71.804 13.754 0.941 1.00 1.00 H new ATOM 0 HA2 GLY A 61 69.127 14.739 0.338 1.00 1.00 H new ATOM 0 HA3 GLY A 61 69.185 12.988 0.372 1.00 1.00 H new ATOM 901 N THR A 62 70.687 13.316 2.855 1.00 1.00 N ATOM 902 CA THR A 62 70.777 13.310 4.342 1.00 1.00 C ATOM 903 C THR A 62 69.618 12.510 4.936 1.00 1.00 C ATOM 904 O THR A 62 69.807 11.453 5.504 1.00 1.00 O ATOM 905 CB THR A 62 70.727 14.752 4.860 1.00 1.00 C ATOM 906 OG1 THR A 62 71.408 15.604 3.950 1.00 1.00 O ATOM 907 CG2 THR A 62 71.398 14.827 6.233 1.00 1.00 C ATOM 0 H THR A 62 71.442 12.825 2.376 1.00 1.00 H new ATOM 0 HA THR A 62 71.716 12.845 4.642 1.00 1.00 H new ATOM 0 HB THR A 62 69.688 15.071 4.949 1.00 1.00 H new ATOM 0 HG1 THR A 62 71.375 16.527 4.279 1.00 1.00 H new ATOM 0 HG21 THR A 62 71.362 15.853 6.600 1.00 1.00 H new ATOM 0 HG22 THR A 62 70.874 14.173 6.930 1.00 1.00 H new ATOM 0 HG23 THR A 62 72.437 14.509 6.148 1.00 1.00 H new ATOM 915 N ASP A 63 68.423 13.011 4.822 1.00 1.00 N ATOM 916 CA ASP A 63 67.255 12.287 5.392 1.00 1.00 C ATOM 917 C ASP A 63 67.278 10.822 4.948 1.00 1.00 C ATOM 918 O ASP A 63 66.858 10.493 3.858 1.00 1.00 O ATOM 919 CB ASP A 63 65.963 12.942 4.899 1.00 1.00 C ATOM 920 CG ASP A 63 65.878 14.372 5.436 1.00 1.00 C ATOM 921 OD1 ASP A 63 66.658 15.198 4.991 1.00 1.00 O ATOM 922 OD2 ASP A 63 65.034 14.617 6.282 1.00 1.00 O ATOM 0 H ASP A 63 68.203 13.892 4.358 1.00 1.00 H new ATOM 0 HA ASP A 63 67.303 12.333 6.480 1.00 1.00 H new ATOM 0 HB2 ASP A 63 65.940 12.950 3.809 1.00 1.00 H new ATOM 0 HB3 ASP A 63 65.100 12.365 5.232 1.00 1.00 H new ATOM 927 N ILE A 64 67.748 9.941 5.797 1.00 1.00 N ATOM 928 CA ILE A 64 67.779 8.490 5.447 1.00 1.00 C ATOM 929 C ILE A 64 68.746 8.235 4.286 1.00 1.00 C ATOM 930 O ILE A 64 69.425 7.228 4.240 1.00 1.00 O ATOM 931 CB ILE A 64 66.375 8.046 5.032 1.00 1.00 C ATOM 932 CG1 ILE A 64 65.362 8.520 6.077 1.00 1.00 C ATOM 933 CG2 ILE A 64 66.329 6.520 4.935 1.00 1.00 C ATOM 934 CD1 ILE A 64 63.943 8.294 5.552 1.00 1.00 C ATOM 0 H ILE A 64 68.113 10.168 6.722 1.00 1.00 H new ATOM 0 HA ILE A 64 68.116 7.926 6.317 1.00 1.00 H new ATOM 0 HB ILE A 64 66.129 8.479 4.062 1.00 1.00 H new ATOM 0 HG12 ILE A 64 65.506 7.977 7.011 1.00 1.00 H new ATOM 0 HG13 ILE A 64 65.516 9.577 6.295 1.00 1.00 H new ATOM 0 HG21 ILE A 64 65.329 6.204 4.639 1.00 1.00 H new ATOM 0 HG22 ILE A 64 67.051 6.181 4.192 1.00 1.00 H new ATOM 0 HG23 ILE A 64 66.575 6.086 5.904 1.00 1.00 H new ATOM 0 HD11 ILE A 64 63.222 8.632 6.296 1.00 1.00 H new ATOM 0 HD12 ILE A 64 63.803 8.857 4.629 1.00 1.00 H new ATOM 0 HD13 ILE A 64 63.792 7.232 5.356 1.00 1.00 H new ATOM 946 N THR A 65 68.797 9.128 3.342 1.00 1.00 N ATOM 947 CA THR A 65 69.696 8.938 2.169 1.00 1.00 C ATOM 948 C THR A 65 71.114 8.590 2.627 1.00 1.00 C ATOM 949 O THR A 65 71.576 7.480 2.451 1.00 1.00 O ATOM 950 CB THR A 65 69.730 10.226 1.344 1.00 1.00 C ATOM 951 OG1 THR A 65 68.408 10.572 0.955 1.00 1.00 O ATOM 952 CG2 THR A 65 70.592 10.014 0.098 1.00 1.00 C ATOM 0 H THR A 65 68.251 9.989 3.331 1.00 1.00 H new ATOM 0 HA THR A 65 69.313 8.117 1.563 1.00 1.00 H new ATOM 0 HB THR A 65 70.155 11.031 1.944 1.00 1.00 H new ATOM 0 HG1 THR A 65 68.415 10.905 0.033 1.00 1.00 H new ATOM 0 HG21 THR A 65 70.615 10.932 -0.489 1.00 1.00 H new ATOM 0 HG22 THR A 65 71.606 9.749 0.398 1.00 1.00 H new ATOM 0 HG23 THR A 65 70.170 9.209 -0.504 1.00 1.00 H new ATOM 960 N VAL A 66 71.819 9.531 3.192 1.00 1.00 N ATOM 961 CA VAL A 66 73.216 9.249 3.630 1.00 1.00 C ATOM 962 C VAL A 66 73.236 8.115 4.656 1.00 1.00 C ATOM 963 O VAL A 66 73.985 7.168 4.518 1.00 1.00 O ATOM 964 CB VAL A 66 73.839 10.509 4.241 1.00 1.00 C ATOM 965 CG1 VAL A 66 73.674 11.682 3.273 1.00 1.00 C ATOM 966 CG2 VAL A 66 73.136 10.835 5.560 1.00 1.00 C ATOM 0 H VAL A 66 71.490 10.480 3.369 1.00 1.00 H new ATOM 0 HA VAL A 66 73.797 8.946 2.759 1.00 1.00 H new ATOM 0 HB VAL A 66 74.899 10.337 4.425 1.00 1.00 H new ATOM 0 HG11 VAL A 66 74.117 12.578 3.708 1.00 1.00 H new ATOM 0 HG12 VAL A 66 74.173 11.450 2.332 1.00 1.00 H new ATOM 0 HG13 VAL A 66 72.614 11.855 3.088 1.00 1.00 H new ATOM 0 HG21 VAL A 66 73.578 11.731 5.996 1.00 1.00 H new ATOM 0 HG22 VAL A 66 72.076 11.007 5.374 1.00 1.00 H new ATOM 0 HG23 VAL A 66 73.253 10.000 6.251 1.00 1.00 H new ATOM 976 N ILE A 67 72.430 8.190 5.683 1.00 1.00 N ATOM 977 CA ILE A 67 72.433 7.096 6.699 1.00 1.00 C ATOM 978 C ILE A 67 71.005 6.736 7.081 1.00 1.00 C ATOM 979 O ILE A 67 70.322 7.487 7.749 1.00 1.00 O ATOM 980 CB ILE A 67 73.182 7.532 7.959 1.00 1.00 C ATOM 981 CG1 ILE A 67 74.667 7.706 7.633 1.00 1.00 C ATOM 982 CG2 ILE A 67 73.021 6.466 9.044 1.00 1.00 C ATOM 983 CD1 ILE A 67 75.364 8.423 8.792 1.00 1.00 C ATOM 0 H ILE A 67 71.777 8.953 5.861 1.00 1.00 H new ATOM 0 HA ILE A 67 72.932 6.231 6.262 1.00 1.00 H new ATOM 0 HB ILE A 67 72.773 8.477 8.316 1.00 1.00 H new ATOM 0 HG12 ILE A 67 75.129 6.734 7.462 1.00 1.00 H new ATOM 0 HG13 ILE A 67 74.784 8.280 6.714 1.00 1.00 H new ATOM 0 HG21 ILE A 67 73.555 6.777 9.942 1.00 1.00 H new ATOM 0 HG22 ILE A 67 71.963 6.340 9.276 1.00 1.00 H new ATOM 0 HG23 ILE A 67 73.430 5.520 8.688 1.00 1.00 H new ATOM 0 HD11 ILE A 67 76.422 8.547 8.560 1.00 1.00 H new ATOM 0 HD12 ILE A 67 74.908 9.402 8.941 1.00 1.00 H new ATOM 0 HD13 ILE A 67 75.259 7.832 9.702 1.00 1.00 H new ATOM 995 N CYS A 68 70.556 5.585 6.687 1.00 1.00 N ATOM 996 CA CYS A 68 69.177 5.167 7.055 1.00 1.00 C ATOM 997 C CYS A 68 69.235 4.345 8.348 1.00 1.00 C ATOM 998 O CYS A 68 70.131 3.548 8.541 1.00 1.00 O ATOM 999 CB CYS A 68 68.583 4.331 5.924 1.00 1.00 C ATOM 1000 SG CYS A 68 69.649 2.904 5.599 1.00 1.00 S ATOM 0 H CYS A 68 71.081 4.914 6.126 1.00 1.00 H new ATOM 0 HA CYS A 68 68.548 6.043 7.213 1.00 1.00 H new ATOM 0 HB2 CYS A 68 67.581 3.996 6.193 1.00 1.00 H new ATOM 0 HB3 CYS A 68 68.485 4.937 5.023 1.00 1.00 H new ATOM 1005 N PRO A 69 68.308 4.562 9.251 1.00 1.00 N ATOM 1006 CA PRO A 69 68.289 3.852 10.566 1.00 1.00 C ATOM 1007 C PRO A 69 68.072 2.338 10.448 1.00 1.00 C ATOM 1008 O PRO A 69 68.448 1.590 11.328 1.00 1.00 O ATOM 1009 CB PRO A 69 67.133 4.509 11.335 1.00 1.00 C ATOM 1010 CG PRO A 69 66.275 5.159 10.299 1.00 1.00 C ATOM 1011 CD PRO A 69 67.184 5.501 9.117 1.00 1.00 C ATOM 0 HA PRO A 69 69.254 3.944 11.065 1.00 1.00 H new ATOM 0 HB2 PRO A 69 66.569 3.768 11.902 1.00 1.00 H new ATOM 0 HB3 PRO A 69 67.506 5.242 12.051 1.00 1.00 H new ATOM 0 HG2 PRO A 69 65.473 4.490 9.988 1.00 1.00 H new ATOM 0 HG3 PRO A 69 65.804 6.058 10.697 1.00 1.00 H new ATOM 0 HD2 PRO A 69 66.668 5.373 8.166 1.00 1.00 H new ATOM 0 HD3 PRO A 69 67.521 6.537 9.159 1.00 1.00 H new ATOM 1019 N TRP A 70 67.471 1.867 9.388 1.00 1.00 N ATOM 1020 CA TRP A 70 67.255 0.393 9.280 1.00 1.00 C ATOM 1021 C TRP A 70 68.541 -0.293 8.804 1.00 1.00 C ATOM 1022 O TRP A 70 68.582 -1.498 8.657 1.00 1.00 O ATOM 1023 CB TRP A 70 66.102 0.075 8.309 1.00 1.00 C ATOM 1024 CG TRP A 70 65.933 1.201 7.340 1.00 1.00 C ATOM 1025 CD1 TRP A 70 65.503 2.443 7.659 1.00 1.00 C ATOM 1026 CD2 TRP A 70 66.183 1.210 5.904 1.00 1.00 C ATOM 1027 NE1 TRP A 70 65.472 3.215 6.513 1.00 1.00 N ATOM 1028 CE2 TRP A 70 65.882 2.501 5.404 1.00 1.00 C ATOM 1029 CE3 TRP A 70 66.635 0.237 4.996 1.00 1.00 C ATOM 1030 CZ2 TRP A 70 66.026 2.813 4.050 1.00 1.00 C ATOM 1031 CZ3 TRP A 70 66.781 0.547 3.635 1.00 1.00 C ATOM 1032 CH2 TRP A 70 66.477 1.830 3.162 1.00 1.00 C ATOM 0 H TRP A 70 67.126 2.425 8.607 1.00 1.00 H new ATOM 0 HA TRP A 70 66.988 0.015 10.267 1.00 1.00 H new ATOM 0 HB2 TRP A 70 66.311 -0.851 7.773 1.00 1.00 H new ATOM 0 HB3 TRP A 70 65.178 -0.080 8.865 1.00 1.00 H new ATOM 0 HD1 TRP A 70 65.228 2.777 8.649 1.00 1.00 H new ATOM 0 HE1 TRP A 70 65.182 4.193 6.489 1.00 1.00 H new ATOM 0 HE3 TRP A 70 66.872 -0.756 5.348 1.00 1.00 H new ATOM 0 HZ2 TRP A 70 65.791 3.804 3.692 1.00 1.00 H new ATOM 0 HZ3 TRP A 70 67.130 -0.209 2.947 1.00 1.00 H new ATOM 0 HH2 TRP A 70 66.591 2.060 2.113 1.00 1.00 H new ATOM 1043 N GLU A 71 69.597 0.450 8.570 1.00 1.00 N ATOM 1044 CA GLU A 71 70.868 -0.195 8.113 1.00 1.00 C ATOM 1045 C GLU A 71 72.063 0.511 8.752 1.00 1.00 C ATOM 1046 O GLU A 71 73.126 0.600 8.170 1.00 1.00 O ATOM 1047 CB GLU A 71 70.984 -0.101 6.590 1.00 1.00 C ATOM 1048 CG GLU A 71 69.669 -0.545 5.947 1.00 1.00 C ATOM 1049 CD GLU A 71 69.407 -2.015 6.282 1.00 1.00 C ATOM 1050 OE1 GLU A 71 70.365 -2.768 6.342 1.00 1.00 O ATOM 1051 OE2 GLU A 71 68.253 -2.362 6.473 1.00 1.00 O ATOM 0 H GLU A 71 69.634 1.464 8.674 1.00 1.00 H new ATOM 0 HA GLU A 71 70.858 -1.243 8.411 1.00 1.00 H new ATOM 0 HB2 GLU A 71 71.217 0.922 6.295 1.00 1.00 H new ATOM 0 HB3 GLU A 71 71.803 -0.729 6.238 1.00 1.00 H new ATOM 0 HG2 GLU A 71 68.848 0.073 6.309 1.00 1.00 H new ATOM 0 HG3 GLU A 71 69.717 -0.410 4.866 1.00 1.00 H new ATOM 1058 N ALA A 72 71.903 1.007 9.945 1.00 1.00 N ATOM 1059 CA ALA A 72 73.038 1.698 10.618 1.00 1.00 C ATOM 1060 C ALA A 72 74.229 0.742 10.698 1.00 1.00 C ATOM 1061 O ALA A 72 74.073 -0.436 10.951 1.00 1.00 O ATOM 1062 CB ALA A 72 72.620 2.111 12.030 1.00 1.00 C ATOM 0 H ALA A 72 71.038 0.965 10.483 1.00 1.00 H new ATOM 0 HA ALA A 72 73.316 2.586 10.050 1.00 1.00 H new ATOM 0 HB1 ALA A 72 73.451 2.617 12.522 1.00 1.00 H new ATOM 0 HB2 ALA A 72 71.766 2.786 11.974 1.00 1.00 H new ATOM 0 HB3 ALA A 72 72.345 1.225 12.602 1.00 1.00 H new ATOM 1068 N CYS A 73 75.419 1.233 10.483 1.00 1.00 N ATOM 1069 CA CYS A 73 76.611 0.340 10.547 1.00 1.00 C ATOM 1070 C CYS A 73 76.563 -0.472 11.844 1.00 1.00 C ATOM 1071 O CYS A 73 76.787 0.046 12.920 1.00 1.00 O ATOM 1072 CB CYS A 73 77.895 1.181 10.512 1.00 1.00 C ATOM 1073 SG CYS A 73 77.466 2.934 10.367 1.00 1.00 S ATOM 0 H CYS A 73 75.617 2.210 10.267 1.00 1.00 H new ATOM 0 HA CYS A 73 76.605 -0.335 9.691 1.00 1.00 H new ATOM 0 HB2 CYS A 73 78.478 1.012 11.418 1.00 1.00 H new ATOM 0 HB3 CYS A 73 78.518 0.878 9.671 1.00 1.00 H new ATOM 1078 N ASN A 74 76.267 -1.741 11.751 1.00 1.00 N ATOM 1079 CA ASN A 74 76.199 -2.587 12.978 1.00 1.00 C ATOM 1080 C ASN A 74 76.761 -3.979 12.679 1.00 1.00 C ATOM 1081 O ASN A 74 77.913 -4.264 12.943 1.00 1.00 O ATOM 1082 CB ASN A 74 74.741 -2.714 13.425 1.00 1.00 C ATOM 1083 CG ASN A 74 74.273 -1.387 14.025 1.00 1.00 C ATOM 1084 OD1 ASN A 74 73.511 -0.598 13.319 1.00 1.00 O flip ATOM 1085 ND2 ASN A 74 74.604 -1.065 15.149 1.00 1.00 N flip ATOM 0 H ASN A 74 76.069 -2.229 10.877 1.00 1.00 H new ATOM 0 HA ASN A 74 76.788 -2.123 13.769 1.00 1.00 H new ATOM 0 HB2 ASN A 74 74.112 -2.984 12.577 1.00 1.00 H new ATOM 0 HB3 ASN A 74 74.643 -3.512 14.161 1.00 1.00 H new ATOM 0 HD21 ASN A 74 75.200 -1.682 15.702 1.00 1.00 H new ATOM 0 HD22 ASN A 74 74.286 -0.178 15.540 1.00 1.00 H new ATOM 1092 N HIS A 75 75.956 -4.852 12.136 1.00 1.00 N ATOM 1093 CA HIS A 75 76.442 -6.229 11.827 1.00 1.00 C ATOM 1094 C HIS A 75 77.085 -6.252 10.439 1.00 1.00 C ATOM 1095 O HIS A 75 76.893 -7.175 9.672 1.00 1.00 O ATOM 1096 CB HIS A 75 75.262 -7.202 11.857 1.00 1.00 C ATOM 1097 CG HIS A 75 75.761 -8.603 11.632 1.00 1.00 C ATOM 1098 ND1 HIS A 75 75.614 -9.254 10.416 1.00 1.00 N ATOM 1099 CD2 HIS A 75 76.407 -9.491 12.458 1.00 1.00 C ATOM 1100 CE1 HIS A 75 76.159 -10.477 10.541 1.00 1.00 C ATOM 1101 NE2 HIS A 75 76.655 -10.671 11.764 1.00 1.00 N ATOM 0 H HIS A 75 74.982 -4.672 11.893 1.00 1.00 H new ATOM 0 HA HIS A 75 77.182 -6.526 12.571 1.00 1.00 H new ATOM 0 HB2 HIS A 75 74.748 -7.137 12.816 1.00 1.00 H new ATOM 0 HB3 HIS A 75 74.537 -6.935 11.088 1.00 1.00 H new ATOM 0 HD2 HIS A 75 76.680 -9.302 13.486 1.00 1.00 H new ATOM 0 HE1 HIS A 75 76.191 -11.211 9.749 1.00 1.00 H new ATOM 0 HE2 HIS A 75 77.119 -11.508 12.116 1.00 1.00 H new ATOM 1110 N CYS A 76 77.850 -5.247 10.109 1.00 1.00 N ATOM 1111 CA CYS A 76 78.506 -5.217 8.771 1.00 1.00 C ATOM 1112 C CYS A 76 79.852 -4.495 8.880 1.00 1.00 C ATOM 1113 O CYS A 76 80.433 -4.092 7.893 1.00 1.00 O ATOM 1114 CB CYS A 76 77.606 -4.477 7.777 1.00 1.00 C ATOM 1115 SG CYS A 76 75.871 -4.745 8.218 1.00 1.00 S ATOM 0 H CYS A 76 78.049 -4.446 10.708 1.00 1.00 H new ATOM 0 HA CYS A 76 78.668 -6.237 8.422 1.00 1.00 H new ATOM 0 HB2 CYS A 76 77.834 -3.411 7.787 1.00 1.00 H new ATOM 0 HB3 CYS A 76 77.794 -4.834 6.764 1.00 1.00 H new ATOM 1120 N GLU A 77 80.349 -4.329 10.074 1.00 1.00 N ATOM 1121 CA GLU A 77 81.655 -3.633 10.249 1.00 1.00 C ATOM 1122 C GLU A 77 82.702 -4.278 9.336 1.00 1.00 C ATOM 1123 O GLU A 77 83.711 -3.682 9.014 1.00 1.00 O ATOM 1124 CB GLU A 77 82.098 -3.746 11.717 1.00 1.00 C ATOM 1125 CG GLU A 77 82.579 -2.381 12.214 1.00 1.00 C ATOM 1126 CD GLU A 77 83.811 -1.952 11.415 1.00 1.00 C ATOM 1127 OE1 GLU A 77 83.642 -1.539 10.280 1.00 1.00 O ATOM 1128 OE2 GLU A 77 84.902 -2.043 11.952 1.00 1.00 O ATOM 0 H GLU A 77 79.907 -4.645 10.937 1.00 1.00 H new ATOM 0 HA GLU A 77 81.551 -2.581 9.985 1.00 1.00 H new ATOM 0 HB2 GLU A 77 81.269 -4.097 12.332 1.00 1.00 H new ATOM 0 HB3 GLU A 77 82.898 -4.481 11.811 1.00 1.00 H new ATOM 0 HG2 GLU A 77 81.786 -1.642 12.104 1.00 1.00 H new ATOM 0 HG3 GLU A 77 82.821 -2.433 13.276 1.00 1.00 H new ATOM 1135 N LEU A 78 82.470 -5.493 8.915 1.00 1.00 N ATOM 1136 CA LEU A 78 83.451 -6.175 8.022 1.00 1.00 C ATOM 1137 C LEU A 78 83.165 -5.791 6.568 1.00 1.00 C ATOM 1138 O LEU A 78 82.057 -5.925 6.089 1.00 1.00 O ATOM 1139 CB LEU A 78 83.317 -7.693 8.185 1.00 1.00 C ATOM 1140 CG LEU A 78 84.037 -8.138 9.459 1.00 1.00 C ATOM 1141 CD1 LEU A 78 85.548 -7.992 9.270 1.00 1.00 C ATOM 1142 CD2 LEU A 78 83.585 -7.264 10.631 1.00 1.00 C ATOM 0 H LEU A 78 81.644 -6.042 9.151 1.00 1.00 H new ATOM 0 HA LEU A 78 84.463 -5.868 8.288 1.00 1.00 H new ATOM 0 HB2 LEU A 78 82.264 -7.972 8.234 1.00 1.00 H new ATOM 0 HB3 LEU A 78 83.742 -8.201 7.319 1.00 1.00 H new ATOM 0 HG LEU A 78 83.796 -9.180 9.667 1.00 1.00 H new ATOM 0 HD11 LEU A 78 86.061 -8.309 10.178 1.00 1.00 H new ATOM 0 HD12 LEU A 78 85.872 -8.613 8.435 1.00 1.00 H new ATOM 0 HD13 LEU A 78 85.790 -6.950 9.062 1.00 1.00 H new ATOM 0 HD21 LEU A 78 84.097 -7.580 11.540 1.00 1.00 H new ATOM 0 HD22 LEU A 78 83.827 -6.222 10.422 1.00 1.00 H new ATOM 0 HD23 LEU A 78 82.508 -7.367 10.767 1.00 1.00 H new ATOM 1154 N HIS A 79 84.159 -5.312 5.863 1.00 1.00 N ATOM 1155 CA HIS A 79 83.951 -4.915 4.437 1.00 1.00 C ATOM 1156 C HIS A 79 84.951 -5.661 3.549 1.00 1.00 C ATOM 1157 O HIS A 79 84.667 -5.968 2.410 1.00 1.00 O ATOM 1158 CB HIS A 79 84.170 -3.407 4.294 1.00 1.00 C ATOM 1159 CG HIS A 79 82.980 -2.672 4.846 1.00 1.00 C ATOM 1160 ND1 HIS A 79 81.845 -3.332 5.292 1.00 1.00 N ATOM 1161 CD2 HIS A 79 82.732 -1.333 5.030 1.00 1.00 C ATOM 1162 CE1 HIS A 79 80.973 -2.401 5.719 1.00 1.00 C ATOM 1163 NE2 HIS A 79 81.465 -1.168 5.581 1.00 1.00 N ATOM 0 H HIS A 79 85.107 -5.179 6.214 1.00 1.00 H new ATOM 0 HA HIS A 79 82.935 -5.168 4.132 1.00 1.00 H new ATOM 0 HB2 HIS A 79 85.074 -3.108 4.825 1.00 1.00 H new ATOM 0 HB3 HIS A 79 84.316 -3.148 3.245 1.00 1.00 H new ATOM 0 HD1 HIS A 79 81.698 -4.341 5.296 1.00 1.00 H new ATOM 0 HD2 HIS A 79 83.415 -0.533 4.785 1.00 1.00 H new ATOM 0 HE1 HIS A 79 79.996 -2.624 6.123 1.00 1.00 H new ATOM 1172 N GLU A 80 86.116 -5.953 4.073 1.00 1.00 N ATOM 1173 CA GLU A 80 87.164 -6.681 3.287 1.00 1.00 C ATOM 1174 C GLU A 80 87.045 -6.360 1.791 1.00 1.00 C ATOM 1175 O GLU A 80 86.600 -5.295 1.408 1.00 1.00 O ATOM 1176 CB GLU A 80 87.028 -8.194 3.513 1.00 1.00 C ATOM 1177 CG GLU A 80 85.594 -8.634 3.211 1.00 1.00 C ATOM 1178 CD GLU A 80 84.697 -8.307 4.405 1.00 1.00 C ATOM 1179 OE1 GLU A 80 85.209 -7.780 5.379 1.00 1.00 O ATOM 1180 OE2 GLU A 80 83.512 -8.588 4.326 1.00 1.00 O ATOM 0 H GLU A 80 86.390 -5.715 5.026 1.00 1.00 H new ATOM 0 HA GLU A 80 88.145 -6.352 3.631 1.00 1.00 H new ATOM 0 HB2 GLU A 80 87.726 -8.731 2.871 1.00 1.00 H new ATOM 0 HB3 GLU A 80 87.286 -8.442 4.543 1.00 1.00 H new ATOM 0 HG2 GLU A 80 85.228 -8.128 2.318 1.00 1.00 H new ATOM 0 HG3 GLU A 80 85.567 -9.704 3.005 1.00 1.00 H new ATOM 1187 N LEU A 81 87.457 -7.267 0.941 1.00 1.00 N ATOM 1188 CA LEU A 81 87.386 -7.012 -0.530 1.00 1.00 C ATOM 1189 C LEU A 81 86.140 -7.690 -1.107 1.00 1.00 C ATOM 1190 O LEU A 81 86.086 -8.019 -2.275 1.00 1.00 O ATOM 1191 CB LEU A 81 88.639 -7.586 -1.212 1.00 1.00 C ATOM 1192 CG LEU A 81 89.823 -6.642 -0.999 1.00 1.00 C ATOM 1193 CD1 LEU A 81 89.721 -5.465 -1.971 1.00 1.00 C ATOM 1194 CD2 LEU A 81 89.803 -6.117 0.439 1.00 1.00 C ATOM 0 H LEU A 81 87.840 -8.175 1.203 1.00 1.00 H new ATOM 0 HA LEU A 81 87.333 -5.938 -0.708 1.00 1.00 H new ATOM 0 HB2 LEU A 81 88.868 -8.570 -0.803 1.00 1.00 H new ATOM 0 HB3 LEU A 81 88.455 -7.719 -2.278 1.00 1.00 H new ATOM 0 HG LEU A 81 90.753 -7.181 -1.178 1.00 1.00 H new ATOM 0 HD11 LEU A 81 90.565 -4.793 -1.818 1.00 1.00 H new ATOM 0 HD12 LEU A 81 89.734 -5.837 -2.995 1.00 1.00 H new ATOM 0 HD13 LEU A 81 88.791 -4.925 -1.793 1.00 1.00 H new ATOM 0 HD21 LEU A 81 90.647 -5.444 0.592 1.00 1.00 H new ATOM 0 HD22 LEU A 81 88.872 -5.579 0.617 1.00 1.00 H new ATOM 0 HD23 LEU A 81 89.876 -6.954 1.133 1.00 1.00 H new ATOM 1206 N ALA A 82 85.140 -7.901 -0.299 1.00 1.00 N ATOM 1207 CA ALA A 82 83.900 -8.556 -0.801 1.00 1.00 C ATOM 1208 C ALA A 82 83.336 -7.756 -1.980 1.00 1.00 C ATOM 1209 O ALA A 82 83.180 -6.554 -1.908 1.00 1.00 O ATOM 1210 CB ALA A 82 82.868 -8.609 0.329 1.00 1.00 C ATOM 0 H ALA A 82 85.127 -7.648 0.689 1.00 1.00 H new ATOM 0 HA ALA A 82 84.129 -9.568 -1.135 1.00 1.00 H new ATOM 0 HB1 ALA A 82 81.958 -9.087 -0.032 1.00 1.00 H new ATOM 0 HB2 ALA A 82 83.272 -9.181 1.164 1.00 1.00 H new ATOM 0 HB3 ALA A 82 82.639 -7.596 0.660 1.00 1.00 H new ATOM 1216 N GLN A 83 83.028 -8.415 -3.066 1.00 1.00 N ATOM 1217 CA GLN A 83 82.473 -7.690 -4.246 1.00 1.00 C ATOM 1218 C GLN A 83 82.022 -8.703 -5.305 1.00 1.00 C ATOM 1219 O GLN A 83 82.075 -9.899 -5.098 1.00 1.00 O ATOM 1220 CB GLN A 83 83.555 -6.772 -4.836 1.00 1.00 C ATOM 1221 CG GLN A 83 82.911 -5.483 -5.350 1.00 1.00 C ATOM 1222 CD GLN A 83 82.709 -4.512 -4.185 1.00 1.00 C ATOM 1223 OE1 GLN A 83 81.700 -3.685 -4.208 1.00 1.00 O flip ATOM 1224 NE2 GLN A 83 83.478 -4.506 -3.245 1.00 1.00 N flip ATOM 0 H GLN A 83 83.137 -9.422 -3.187 1.00 1.00 H new ATOM 0 HA GLN A 83 81.618 -7.089 -3.936 1.00 1.00 H new ATOM 0 HB2 GLN A 83 84.302 -6.540 -4.077 1.00 1.00 H new ATOM 0 HB3 GLN A 83 84.074 -7.280 -5.649 1.00 1.00 H new ATOM 0 HG2 GLN A 83 83.543 -5.027 -6.112 1.00 1.00 H new ATOM 0 HG3 GLN A 83 81.954 -5.705 -5.822 1.00 1.00 H new ATOM 0 HE21 GLN A 83 84.267 -5.153 -3.227 1.00 1.00 H new ATOM 0 HE22 GLN A 83 83.335 -3.854 -2.473 1.00 1.00 H new ATOM 1233 N TYR A 84 81.584 -8.227 -6.440 1.00 1.00 N ATOM 1234 CA TYR A 84 81.132 -9.146 -7.526 1.00 1.00 C ATOM 1235 C TYR A 84 79.783 -9.772 -7.158 1.00 1.00 C ATOM 1236 O TYR A 84 78.999 -10.118 -8.020 1.00 1.00 O ATOM 1237 CB TYR A 84 82.173 -10.254 -7.737 1.00 1.00 C ATOM 1238 CG TYR A 84 82.092 -10.754 -9.159 1.00 1.00 C ATOM 1239 CD1 TYR A 84 82.853 -10.140 -10.162 1.00 1.00 C ATOM 1240 CD2 TYR A 84 81.257 -11.832 -9.476 1.00 1.00 C ATOM 1241 CE1 TYR A 84 82.778 -10.604 -11.481 1.00 1.00 C ATOM 1242 CE2 TYR A 84 81.181 -12.296 -10.795 1.00 1.00 C ATOM 1243 CZ TYR A 84 81.942 -11.682 -11.797 1.00 1.00 C ATOM 1244 OH TYR A 84 81.868 -12.139 -13.097 1.00 1.00 O ATOM 0 H TYR A 84 81.519 -7.234 -6.663 1.00 1.00 H new ATOM 0 HA TYR A 84 81.020 -8.575 -8.447 1.00 1.00 H new ATOM 0 HB2 TYR A 84 83.173 -9.873 -7.530 1.00 1.00 H new ATOM 0 HB3 TYR A 84 81.994 -11.074 -7.041 1.00 1.00 H new ATOM 0 HD1 TYR A 84 83.498 -9.309 -9.918 1.00 1.00 H new ATOM 0 HD2 TYR A 84 80.671 -12.306 -8.703 1.00 1.00 H new ATOM 0 HE1 TYR A 84 83.365 -10.131 -12.254 1.00 1.00 H new ATOM 0 HE2 TYR A 84 80.536 -13.127 -11.039 1.00 1.00 H new ATOM 0 HH TYR A 84 81.243 -12.893 -13.144 1.00 1.00 H new ATOM 1254 N GLY A 85 79.502 -9.926 -5.893 1.00 1.00 N ATOM 1255 CA GLY A 85 78.199 -10.537 -5.497 1.00 1.00 C ATOM 1256 C GLY A 85 77.800 -10.063 -4.099 1.00 1.00 C ATOM 1257 O GLY A 85 76.790 -9.412 -3.921 1.00 1.00 O ATOM 0 H GLY A 85 80.112 -9.658 -5.121 1.00 1.00 H new ATOM 0 HA2 GLY A 85 77.427 -10.264 -6.216 1.00 1.00 H new ATOM 0 HA3 GLY A 85 78.279 -11.624 -5.512 1.00 1.00 H new ATOM 1261 N ILE A 86 78.583 -10.390 -3.107 1.00 1.00 N ATOM 1262 CA ILE A 86 78.253 -9.966 -1.716 1.00 1.00 C ATOM 1263 C ILE A 86 77.714 -8.532 -1.726 1.00 1.00 C ATOM 1264 O ILE A 86 76.537 -8.301 -1.534 1.00 1.00 O ATOM 1265 CB ILE A 86 79.519 -10.041 -0.857 1.00 1.00 C ATOM 1266 CG1 ILE A 86 79.810 -11.502 -0.506 1.00 1.00 C ATOM 1267 CG2 ILE A 86 79.312 -9.241 0.430 1.00 1.00 C ATOM 1268 CD1 ILE A 86 81.177 -11.602 0.172 1.00 1.00 C ATOM 0 H ILE A 86 79.440 -10.935 -3.200 1.00 1.00 H new ATOM 0 HA ILE A 86 77.491 -10.626 -1.301 1.00 1.00 H new ATOM 0 HB ILE A 86 80.359 -9.624 -1.412 1.00 1.00 H new ATOM 0 HG12 ILE A 86 79.035 -11.889 0.156 1.00 1.00 H new ATOM 0 HG13 ILE A 86 79.794 -12.114 -1.408 1.00 1.00 H new ATOM 0 HG21 ILE A 86 80.213 -9.295 1.041 1.00 1.00 H new ATOM 0 HG22 ILE A 86 79.103 -8.200 0.182 1.00 1.00 H new ATOM 0 HG23 ILE A 86 78.472 -9.657 0.986 1.00 1.00 H new ATOM 0 HD11 ILE A 86 81.384 -12.643 0.422 1.00 1.00 H new ATOM 0 HD12 ILE A 86 81.947 -11.231 -0.505 1.00 1.00 H new ATOM 0 HD13 ILE A 86 81.176 -11.003 1.083 1.00 1.00 H new ATOM 1280 N CYS A 87 78.565 -7.568 -1.950 1.00 1.00 N ATOM 1281 CA CYS A 87 78.096 -6.154 -1.975 1.00 1.00 C ATOM 1282 C CYS A 87 77.390 -5.878 -3.305 1.00 1.00 C ATOM 1283 CB CYS A 87 79.298 -5.216 -1.824 1.00 1.00 C ATOM 1284 SG CYS A 87 79.414 -4.656 -0.107 1.00 1.00 S ATOM 0 H CYS A 87 79.563 -7.698 -2.116 1.00 1.00 H new ATOM 0 HA CYS A 87 77.400 -5.983 -1.153 1.00 1.00 H new ATOM 0 HB2 CYS A 87 80.214 -5.732 -2.112 1.00 1.00 H new ATOM 0 HB3 CYS A 87 79.191 -4.360 -2.490 1.00 1.00 H new TER 1289 CYS A 87 HETATM 1290 C1C RCY A 110 57.289 -6.251 -2.684 1.00 1.00 C HETATM 1291 O1G RCY A 110 57.254 -4.973 -1.127 1.00 1.00 O HETATM 1292 O1H RCY A 110 53.266 -6.668 0.749 1.00 1.00 O HETATM 1293 O1J RCY A 110 58.761 -8.047 -0.767 1.00 1.00 O HETATM 1294 C1L RCY A 110 55.835 -4.246 0.729 1.00 1.00 C HETATM 1295 C1M RCY A 110 54.986 -8.653 -1.065 1.00 1.00 C HETATM 1296 C1P RCY A 110 56.236 -5.134 -0.456 1.00 1.00 C HETATM 1297 C1Q RCY A 110 54.131 -5.907 0.319 1.00 1.00 C HETATM 1298 N1R RCY A 110 55.213 -6.242 -0.699 1.00 1.00 N HETATM 1299 C1S RCY A 110 54.316 -4.451 0.709 1.00 1.00 C HETATM 1300 C1U RCY A 110 55.255 -7.396 -1.703 1.00 1.00 C HETATM 1301 C1V RCY A 110 56.589 -8.538 -3.528 1.00 1.00 C HETATM 1302 N1V RCY A 110 57.370 -8.242 -1.167 1.00 1.00 N HETATM 1303 C1W RCY A 110 56.329 -9.147 -0.511 1.00 1.00 C HETATM 1304 C1X RCY A 110 56.636 -7.588 -2.329 1.00 1.00 C HETATM 1305 C1Y RCY A 110 56.567 -10.608 -0.902 1.00 1.00 C HETATM 1306 C1Z RCY A 110 56.401 -8.976 1.006 1.00 1.00 C HETATM 0 H1ZB RCY A 110 56.289 -7.922 1.259 1.00 1.00 H new HETATM 0 H1ZA RCY A 110 55.601 -9.549 1.475 1.00 1.00 H new HETATM 0 H1YA RCY A 110 56.579 -10.697 -1.988 1.00 1.00 H new HETATM 0 H1VB RCY A 110 56.013 -8.081 -4.332 1.00 1.00 H new HETATM 0 H1VA RCY A 110 57.603 -8.736 -3.875 1.00 1.00 H new HETATM 0 H1MA RCY A 110 54.255 -8.535 -0.265 1.00 1.00 H new HETATM 0 H1LA RCY A 110 56.288 -4.571 1.666 1.00 1.00 H new HETATM 0 H1CB RCY A 110 56.661 -5.717 -3.398 1.00 1.00 H new HETATM 0 H1CA RCY A 110 57.403 -5.651 -1.781 1.00 1.00 H new HETATM 0 H1Z RCY A 110 57.365 -9.335 1.367 1.00 1.00 H new HETATM 0 H1V RCY A 110 56.118 -9.475 -3.232 1.00 1.00 H new HETATM 0 H1U RCY A 110 54.509 -7.128 -2.451 1.00 1.00 H new HETATM 0 H1S RCY A 110 53.835 -3.785 -0.007 1.00 1.00 H new HETATM 0 H1M RCY A 110 54.570 -9.369 -1.774 1.00 1.00 H new HETATM 0 H1L RCY A 110 56.117 -3.203 0.583 1.00 1.00 H new HETATM 0 H1C RCY A 110 58.269 -6.431 -3.126 1.00 1.00 H new HETATM 1309 C1C RCY A 121 64.548 -1.939 -6.633 1.00 1.00 C HETATM 1310 O1G RCY A 121 65.592 -0.843 -8.673 1.00 1.00 O HETATM 1311 O1H RCY A 121 62.724 -3.705 -11.099 1.00 1.00 O HETATM 1312 O1J RCY A 121 64.394 1.011 -7.218 1.00 1.00 O HETATM 1313 C1L RCY A 121 65.836 -2.068 -10.776 1.00 1.00 C HETATM 1314 C1M RCY A 121 61.644 -1.153 -8.787 1.00 1.00 C HETATM 1315 C1P RCY A 121 65.118 -1.625 -9.496 1.00 1.00 C HETATM 1316 C1Q RCY A 121 63.719 -3.211 -10.571 1.00 1.00 C HETATM 1317 N1R RCY A 121 63.741 -2.275 -9.369 1.00 1.00 N HETATM 1318 C1S RCY A 121 65.159 -3.425 -11.000 1.00 1.00 C HETATM 1319 C1U RCY A 121 62.657 -2.051 -8.313 1.00 1.00 C HETATM 1320 C1V RCY A 121 62.174 -1.425 -5.908 1.00 1.00 C HETATM 1321 N1V RCY A 121 63.344 0.054 -7.556 1.00 1.00 N HETATM 1322 C1W RCY A 121 62.157 0.263 -8.494 1.00 1.00 C HETATM 1323 C1X RCY A 121 63.189 -1.374 -7.051 1.00 1.00 C HETATM 1324 C1Y RCY A 121 61.072 1.097 -7.807 1.00 1.00 C HETATM 1325 C1Z RCY A 121 62.641 0.953 -9.769 1.00 1.00 C HETATM 0 H1ZB RCY A 121 63.453 0.375 -10.210 1.00 1.00 H new HETATM 0 H1ZA RCY A 121 61.818 1.023 -10.480 1.00 1.00 H new HETATM 0 H1YB RCY A 121 60.199 1.165 -8.457 1.00 1.00 H new HETATM 0 H1YA RCY A 121 60.789 0.623 -6.867 1.00 1.00 H new HETATM 0 H1VB RCY A 121 62.031 -2.459 -5.594 1.00 1.00 H new HETATM 0 H1VA RCY A 121 62.543 -0.838 -5.067 1.00 1.00 H new HETATM 0 H1MA RCY A 121 61.470 -1.291 -9.854 1.00 1.00 H new HETATM 0 H1LA RCY A 121 65.674 -1.379 -11.605 1.00 1.00 H new HETATM 0 H1CB RCY A 121 64.453 -3.006 -6.434 1.00 1.00 H new HETATM 0 H1CA RCY A 121 65.269 -1.782 -7.435 1.00 1.00 H new HETATM 0 H1Z RCY A 121 62.998 1.954 -9.528 1.00 1.00 H new HETATM 0 H1Y RCY A 121 61.454 2.098 -7.607 1.00 1.00 H new HETATM 0 H1V RCY A 121 61.223 -1.014 -6.247 1.00 1.00 H new HETATM 0 H1U RCY A 121 62.277 -3.051 -8.102 1.00 1.00 H new HETATM 0 H1S RCY A 121 65.636 -4.208 -10.410 1.00 1.00 H new HETATM 0 H1M RCY A 121 60.695 -1.335 -8.283 1.00 1.00 H new HETATM 0 H1L RCY A 121 66.914 -2.157 -10.641 1.00 1.00 H new HETATM 0 H1C RCY A 121 64.892 -1.431 -5.732 1.00 1.00 H new HETATM 1328 C1C RCY A 130 72.341 8.592 -9.544 1.00 1.00 C HETATM 1329 O1G RCY A 130 73.277 5.055 -11.284 1.00 1.00 O HETATM 1330 O1H RCY A 130 76.356 8.536 -10.448 1.00 1.00 O HETATM 1331 O1J RCY A 130 70.645 6.128 -9.889 1.00 1.00 O HETATM 1332 C1L RCY A 130 74.912 6.216 -12.685 1.00 1.00 C HETATM 1333 C1M RCY A 130 74.069 5.587 -8.249 1.00 1.00 C HETATM 1334 C1P RCY A 130 74.128 5.936 -11.397 1.00 1.00 C HETATM 1335 C1Q RCY A 130 75.511 7.818 -10.979 1.00 1.00 C HETATM 1336 N1R RCY A 130 74.534 6.887 -10.272 1.00 1.00 N HETATM 1337 C1S RCY A 130 75.249 7.696 -12.469 1.00 1.00 C HETATM 1338 C1U RCY A 130 74.083 6.908 -8.810 1.00 1.00 C HETATM 1339 C1V RCY A 130 72.313 7.688 -7.176 1.00 1.00 C HETATM 1340 N1V RCY A 130 71.884 6.167 -9.118 1.00 1.00 N HETATM 1341 C1W RCY A 130 72.707 4.983 -8.613 1.00 1.00 C HETATM 1342 C1X RCY A 130 72.645 7.395 -8.640 1.00 1.00 C HETATM 1343 C1Y RCY A 130 72.047 4.361 -7.379 1.00 1.00 C HETATM 1344 C1Z RCY A 130 72.838 3.950 -9.732 1.00 1.00 C HETATM 0 H1ZB RCY A 130 73.254 4.426 -10.620 1.00 1.00 H new HETATM 0 H1ZA RCY A 130 73.498 3.145 -9.409 1.00 1.00 H new HETATM 0 H1YB RCY A 130 72.688 3.574 -6.982 1.00 1.00 H new HETATM 0 H1YA RCY A 130 71.901 5.128 -6.619 1.00 1.00 H new HETATM 0 H1MA RCY A 130 74.883 4.984 -8.652 1.00 1.00 H new HETATM 0 H1LA RCY A 130 75.802 5.594 -12.775 1.00 1.00 H new HETATM 0 H1Z RCY A 130 71.855 3.541 -9.966 1.00 1.00 H new HETATM 0 H1Y RCY A 130 71.082 3.938 -7.657 1.00 1.00 H new HETATM 0 H1V RCY A 130 72.543 6.813 -6.568 1.00 1.00 H new HETATM 0 H1U RCY A 130 74.793 7.574 -8.320 1.00 1.00 H new HETATM 0 H1S RCY A 130 74.426 8.339 -12.780 1.00 1.00 H new HETATM 0 H1M RCY A 130 74.203 5.622 -7.168 1.00 1.00 H new HETATM 1347 C1C RCY A 138 82.247 2.441 0.138 1.00 1.00 C HETATM 1348 O1G RCY A 138 83.046 2.775 -3.483 1.00 1.00 O HETATM 1349 O1H RCY A 138 86.618 2.742 -0.394 1.00 1.00 O HETATM 1350 O1J RCY A 138 80.635 1.830 -2.331 1.00 1.00 O HETATM 1351 C1L RCY A 138 84.968 4.247 -3.129 1.00 1.00 C HETATM 1352 C1M RCY A 138 83.944 -0.075 -1.979 1.00 1.00 C HETATM 1353 C1P RCY A 138 84.046 3.059 -2.825 1.00 1.00 C HETATM 1354 C1Q RCY A 138 85.703 3.112 -1.129 1.00 1.00 C HETATM 1355 N1R RCY A 138 84.524 2.274 -1.605 1.00 1.00 N HETATM 1356 C1S RCY A 138 85.543 4.496 -1.730 1.00 1.00 C HETATM 1357 C1U RCY A 138 83.969 0.980 -1.007 1.00 1.00 C HETATM 1358 C1V RCY A 138 82.070 -0.084 0.287 1.00 1.00 C HETATM 1359 N1V RCY A 138 81.815 1.077 -1.918 1.00 1.00 N HETATM 1360 C1W RCY A 138 82.625 0.082 -2.746 1.00 1.00 C HETATM 1361 C1X RCY A 138 82.512 1.108 -0.565 1.00 1.00 C HETATM 1362 C1Y RCY A 138 81.893 -1.260 -2.838 1.00 1.00 C HETATM 1363 C1Z RCY A 138 82.859 0.664 -4.140 1.00 1.00 C HETATM 0 H1ZB RCY A 138 83.327 1.644 -4.051 1.00 1.00 H new HETATM 0 H1ZA RCY A 138 83.512 0.000 -4.706 1.00 1.00 H new HETATM 0 H1YB RCY A 138 82.521 -1.982 -3.360 1.00 1.00 H new HETATM 0 H1VB RCY A 138 82.618 -0.081 1.229 1.00 1.00 H new HETATM 0 H1VA RCY A 138 81.001 -0.011 0.488 1.00 1.00 H new HETATM 0 H1MA RCY A 138 84.797 -0.004 -2.653 1.00 1.00 H new HETATM 0 H1LA RCY A 138 85.739 4.001 -3.860 1.00 1.00 H new HETATM 0 H1CB RCY A 138 82.881 2.519 1.022 1.00 1.00 H new HETATM 0 H1CA RCY A 138 82.471 3.262 -0.543 1.00 1.00 H new HETATM 0 H1Z RCY A 138 81.905 0.763 -4.658 1.00 1.00 H new HETATM 0 H1V RCY A 138 82.276 -1.011 -0.249 1.00 1.00 H new HETATM 0 H1U RCY A 138 84.627 0.770 -0.164 1.00 1.00 H new HETATM 0 H1S RCY A 138 84.874 5.113 -1.131 1.00 1.00 H new HETATM 0 H1M RCY A 138 84.000 -1.051 -1.496 1.00 1.00 H new HETATM 0 H1L RCY A 138 84.425 5.109 -3.517 1.00 1.00 H new HETATM 1366 C1C RCY A 150 83.359 7.660 5.853 1.00 1.00 C HETATM 1367 O1G RCY A 150 79.818 10.171 5.578 1.00 1.00 O HETATM 1368 O1H RCY A 150 80.965 6.213 7.884 1.00 1.00 O HETATM 1369 O1J RCY A 150 82.957 4.823 6.779 1.00 1.00 O HETATM 1370 C1L RCY A 150 79.620 9.478 7.916 1.00 1.00 C HETATM 1371 C1M RCY A 150 80.285 6.201 4.399 1.00 1.00 C HETATM 1372 C1P RCY A 150 79.965 9.298 6.432 1.00 1.00 C HETATM 1373 C1Q RCY A 150 80.371 7.220 7.503 1.00 1.00 C HETATM 1374 N1R RCY A 150 80.512 7.900 6.147 1.00 1.00 N HETATM 1375 C1S RCY A 150 79.358 8.018 8.303 1.00 1.00 C HETATM 1376 C1U RCY A 150 81.062 7.322 4.842 1.00 1.00 C HETATM 1377 C1V RCY A 150 83.113 6.456 3.635 1.00 1.00 C HETATM 1378 N1V RCY A 150 82.168 5.460 5.729 1.00 1.00 N HETATM 1379 C1W RCY A 150 80.851 4.975 5.126 1.00 1.00 C HETATM 1380 C1X RCY A 150 82.473 6.756 4.992 1.00 1.00 C HETATM 1381 C1Y RCY A 150 81.103 3.832 4.139 1.00 1.00 C HETATM 1382 C1Z RCY A 150 79.922 4.519 6.252 1.00 1.00 C HETATM 0 H1ZB RCY A 150 79.803 5.326 6.975 1.00 1.00 H new HETATM 0 H1ZA RCY A 150 78.949 4.257 5.837 1.00 1.00 H new HETATM 0 H1YB RCY A 150 80.166 3.555 3.657 1.00 1.00 H new HETATM 0 H1YA RCY A 150 81.818 4.155 3.383 1.00 1.00 H new HETATM 0 H1VB RCY A 150 83.275 7.389 3.095 1.00 1.00 H new HETATM 0 H1VA RCY A 150 84.068 5.953 3.786 1.00 1.00 H new HETATM 0 H1MA RCY A 150 79.230 6.341 4.635 1.00 1.00 H new HETATM 0 H1LA RCY A 150 80.438 9.920 8.484 1.00 1.00 H new HETATM 0 H1CB RCY A 150 83.433 8.644 5.391 1.00 1.00 H new HETATM 0 H1CA RCY A 150 82.922 7.758 6.847 1.00 1.00 H new HETATM 0 H1Z RCY A 150 80.351 3.648 6.748 1.00 1.00 H new HETATM 0 H1Y RCY A 150 81.504 2.971 4.674 1.00 1.00 H new HETATM 0 H1V RCY A 150 82.452 5.812 3.055 1.00 1.00 H new HETATM 0 H1U RCY A 150 81.038 8.161 4.146 1.00 1.00 H new HETATM 0 H1S RCY A 150 78.338 7.721 8.059 1.00 1.00 H new HETATM 0 H1M RCY A 150 80.357 6.080 3.318 1.00 1.00 H new HETATM 0 H1L RCY A 150 78.747 10.113 8.068 1.00 1.00 H new HETATM 1385 C1C RCY A 160 74.562 6.837 -0.109 1.00 1.00 C HETATM 1386 O1G RCY A 160 77.506 8.480 -3.432 1.00 1.00 O HETATM 1387 O1H RCY A 160 75.597 10.789 0.219 1.00 1.00 O HETATM 1388 O1J RCY A 160 75.871 5.396 2.189 1.00 1.00 O HETATM 1389 C1L RCY A 160 76.535 10.713 -3.185 1.00 1.00 C HETATM 1390 C1M RCY A 160 77.982 8.114 0.497 1.00 1.00 C HETATM 1391 C1P RCY A 160 76.944 9.310 -2.718 1.00 1.00 C HETATM 1392 C1Q RCY A 160 75.814 10.349 -0.909 1.00 1.00 C HETATM 1393 N1R RCY A 160 76.567 9.071 -1.257 1.00 1.00 N HETATM 1394 C1S RCY A 160 75.378 10.984 -2.217 1.00 1.00 C HETATM 1395 C1U RCY A 160 76.863 7.864 -0.365 1.00 1.00 C HETATM 1396 C1V RCY A 160 75.252 8.788 1.357 1.00 1.00 C HETATM 1397 N1V RCY A 160 76.426 6.583 1.545 1.00 1.00 N HETATM 1398 C1W RCY A 160 77.843 7.138 1.672 1.00 1.00 C HETATM 1399 C1X RCY A 160 75.720 7.544 0.598 1.00 1.00 C HETATM 1400 C1Y RCY A 160 78.014 7.872 3.005 1.00 1.00 C HETATM 1401 C1Z RCY A 160 78.843 5.987 1.559 1.00 1.00 C HETATM 0 H1ZB RCY A 160 78.666 5.441 0.632 1.00 1.00 H new HETATM 0 H1ZA RCY A 160 79.858 6.385 1.558 1.00 1.00 H new HETATM 0 H1YB RCY A 160 79.002 8.332 3.043 1.00 1.00 H new HETATM 0 H1YA RCY A 160 77.250 8.644 3.096 1.00 1.00 H new HETATM 0 H1VB RCY A 160 74.799 9.491 0.658 1.00 1.00 H new HETATM 0 H1VA RCY A 160 74.518 8.500 2.110 1.00 1.00 H new HETATM 0 H1MA RCY A 160 78.923 7.957 -0.031 1.00 1.00 H new HETATM 0 H1LA RCY A 160 77.342 11.438 -3.084 1.00 1.00 H new HETATM 0 H1CB RCY A 160 74.173 7.478 -0.900 1.00 1.00 H new HETATM 0 H1CA RCY A 160 74.917 5.901 -0.541 1.00 1.00 H new HETATM 0 H1Z RCY A 160 78.719 5.313 2.407 1.00 1.00 H new HETATM 0 H1Y RCY A 160 77.912 7.163 3.827 1.00 1.00 H new HETATM 0 H1V RCY A 160 76.105 9.259 1.844 1.00 1.00 H new HETATM 0 H1U RCY A 160 77.038 7.048 -1.066 1.00 1.00 H new HETATM 0 H1S RCY A 160 74.448 10.546 -2.579 1.00 1.00 H new HETATM 0 H1M RCY A 160 77.981 9.147 0.846 1.00 1.00 H new HETATM 0 H1L RCY A 160 76.219 10.730 -4.228 1.00 1.00 H new HETATM 0 H1C RCY A 160 73.770 6.627 0.610 1.00 1.00 H new HETATM 1404 C1C RCY A 168 74.253 0.293 2.816 1.00 1.00 C HETATM 1405 O1G RCY A 168 73.906 5.270 3.962 1.00 1.00 O HETATM 1406 O1H RCY A 168 71.234 1.399 3.542 1.00 1.00 O HETATM 1407 O1J RCY A 168 76.547 0.504 0.877 1.00 1.00 O HETATM 1408 C1L RCY A 168 71.910 4.477 5.135 1.00 1.00 C HETATM 1409 C1M RCY A 168 74.622 3.751 1.552 1.00 1.00 C HETATM 1410 C1P RCY A 168 73.023 4.422 4.080 1.00 1.00 C HETATM 1411 C1Q RCY A 168 71.599 2.563 3.696 1.00 1.00 C HETATM 1412 N1R RCY A 168 72.899 3.182 3.196 1.00 1.00 N HETATM 1413 C1S RCY A 168 70.832 3.654 4.422 1.00 1.00 C HETATM 1414 C1U RCY A 168 73.831 2.682 2.091 1.00 1.00 C HETATM 1415 C1V RCY A 168 75.586 2.186 3.848 1.00 1.00 C HETATM 1416 N1V RCY A 168 75.820 1.651 1.412 1.00 1.00 N HETATM 1417 C1W RCY A 168 75.848 3.092 0.907 1.00 1.00 C HETATM 1418 C1X RCY A 168 74.865 1.678 2.598 1.00 1.00 C HETATM 1419 C1Y RCY A 168 77.134 3.792 1.356 1.00 1.00 C HETATM 1420 C1Z RCY A 168 75.740 3.091 -0.618 1.00 1.00 C HETATM 0 H1ZB RCY A 168 74.850 2.538 -0.919 1.00 1.00 H new HETATM 0 H1ZA RCY A 168 75.668 4.117 -0.978 1.00 1.00 H new HETATM 0 H1YB RCY A 168 77.100 4.840 1.060 1.00 1.00 H new HETATM 0 H1YA RCY A 168 77.226 3.724 2.440 1.00 1.00 H new HETATM 0 H1MA RCY A 168 74.055 4.322 0.817 1.00 1.00 H new HETATM 0 H1LA RCY A 168 72.213 4.035 6.084 1.00 1.00 H new HETATM 0 H1CB RCY A 168 73.452 0.361 3.553 1.00 1.00 H new HETATM 0 H1CA RCY A 168 73.849 -0.079 1.874 1.00 1.00 H new HETATM 0 H1Z RCY A 168 76.624 2.617 -1.045 1.00 1.00 H new HETATM 0 H1Y RCY A 168 77.993 3.311 0.888 1.00 1.00 H new HETATM 0 H1U RCY A 168 73.162 2.233 1.357 1.00 1.00 H new HETATM 0 H1S RCY A 168 70.261 4.268 3.725 1.00 1.00 H new HETATM 0 H1M RCY A 168 74.921 4.447 2.335 1.00 1.00 H new HETATM 0 H1L RCY A 168 71.585 5.496 5.347 1.00 1.00 H new HETATM 0 H1C RCY A 168 75.021 -0.391 3.176 1.00 1.00 H new HETATM 1423 C1C RCY A 173 75.471 4.609 5.142 1.00 1.00 C HETATM 1424 O1G RCY A 173 73.002 4.456 8.328 1.00 1.00 O HETATM 1425 O1H RCY A 173 76.992 2.057 7.535 1.00 1.00 O HETATM 1426 O1J RCY A 173 77.644 2.565 4.728 1.00 1.00 O HETATM 1427 C1L RCY A 173 75.035 4.104 9.645 1.00 1.00 C HETATM 1428 C1M RCY A 173 74.232 1.186 5.810 1.00 1.00 C HETATM 1429 C1P RCY A 173 74.104 3.921 8.439 1.00 1.00 C HETATM 1430 C1Q RCY A 173 75.999 2.539 8.079 1.00 1.00 C HETATM 1431 N1R RCY A 173 74.716 2.991 7.392 1.00 1.00 N HETATM 1432 C1S RCY A 173 75.827 2.794 9.565 1.00 1.00 C HETATM 1433 C1U RCY A 173 74.187 2.607 6.009 1.00 1.00 C HETATM 1434 C1V RCY A 173 74.342 3.025 3.517 1.00 1.00 C HETATM 1435 N1V RCY A 173 76.239 2.233 4.948 1.00 1.00 N HETATM 1436 C1W RCY A 173 75.646 0.871 5.305 1.00 1.00 C HETATM 1437 C1X RCY A 173 75.039 3.166 4.871 1.00 1.00 C HETATM 1438 C1Y RCY A 173 75.588 -0.029 4.068 1.00 1.00 C HETATM 1439 C1Z RCY A 173 76.496 0.227 6.401 1.00 1.00 C HETATM 0 H1ZB RCY A 173 76.574 0.908 7.248 1.00 1.00 H new HETATM 0 H1ZA RCY A 173 76.028 -0.703 6.725 1.00 1.00 H new HETATM 0 H1YB RCY A 173 75.087 -0.964 4.321 1.00 1.00 H new HETATM 0 H1YA RCY A 173 75.035 0.476 3.276 1.00 1.00 H new HETATM 0 H1MA RCY A 173 74.023 0.656 6.739 1.00 1.00 H new HETATM 0 H1LA RCY A 173 75.672 4.983 9.551 1.00 1.00 H new HETATM 0 H1CB RCY A 173 74.588 5.239 5.250 1.00 1.00 H new HETATM 0 H1CA RCY A 173 76.058 4.647 6.060 1.00 1.00 H new HETATM 0 H1Z RCY A 173 77.492 0.016 6.012 1.00 1.00 H new HETATM 0 H1Y RCY A 173 76.601 -0.241 3.725 1.00 1.00 H new HETATM 0 H1U RCY A 173 73.175 3.011 5.987 1.00 1.00 H new HETATM 0 H1S RCY A 173 75.291 1.977 10.048 1.00 1.00 H new HETATM 0 H1M RCY A 173 73.480 0.870 5.087 1.00 1.00 H new HETATM 0 H1L RCY A 173 74.489 4.205 10.583 1.00 1.00 H new HETATM 0 H1C RCY A 173 76.075 4.970 4.310 1.00 1.00 H new HETATM 1442 C1C RCY A 176 73.661 -3.718 3.689 1.00 1.00 C HETATM 1443 O1G RCY A 176 75.731 -6.333 8.166 1.00 1.00 O HETATM 1444 O1H RCY A 176 75.759 -7.514 5.741 1.00 1.00 O HETATM 1445 O1J RCY A 176 74.663 -4.615 0.994 1.00 1.00 O HETATM 1446 C1L RCY A 176 75.936 -6.243 5.671 1.00 1.00 C HETATM 1447 C1M RCY A 176 76.442 -6.135 4.032 1.00 1.00 C HETATM 1448 C1P RCY A 176 75.253 -6.284 7.050 1.00 1.00 C HETATM 1449 C1Q RCY A 176 75.442 -6.669 6.576 1.00 1.00 C HETATM 1450 N1R RCY A 176 75.318 -5.211 6.001 1.00 1.00 N HETATM 1451 C1S RCY A 176 75.197 -5.217 6.583 1.00 1.00 C HETATM 1452 C1U RCY A 176 75.656 -5.038 4.519 1.00 1.00 C HETATM 1453 C1V RCY A 176 73.505 -6.237 3.927 1.00 1.00 C HETATM 1454 N1V RCY A 176 75.071 -5.217 2.260 1.00 1.00 N HETATM 1455 C1W RCY A 176 76.248 -6.157 2.510 1.00 1.00 C HETATM 1456 C1X RCY A 176 74.417 -5.047 3.624 1.00 1.00 C HETATM 1457 C1Y RCY A 176 75.914 -7.572 2.031 1.00 1.00 C HETATM 1458 C1Z RCY A 176 77.481 -5.619 1.785 1.00 1.00 C HETATM 0 H1ZB RCY A 176 77.666 -4.591 2.096 1.00 1.00 H new HETATM 0 H1ZA RCY A 176 78.346 -6.234 2.033 1.00 1.00 H new HETATM 0 H1YB RCY A 176 76.729 -8.247 2.293 1.00 1.00 H new HETATM 0 H1YA RCY A 176 74.995 -7.911 2.509 1.00 1.00 H new HETATM 0 H1VB RCY A 176 73.088 -6.130 4.928 1.00 1.00 H new HETATM 0 H1VA RCY A 176 72.695 -6.269 3.198 1.00 1.00 H new HETATM 0 H1MA RCY A 176 77.493 -6.005 4.289 1.00 1.00 H new HETATM 0 H1CB RCY A 176 73.342 -3.531 4.714 1.00 1.00 H new HETATM 0 H1CA RCY A 176 74.315 -2.911 3.360 1.00 1.00 H new HETATM 0 H1Z RCY A 176 77.312 -5.648 0.709 1.00 1.00 H new HETATM 0 H1Y RCY A 176 75.780 -7.568 0.949 1.00 1.00 H new HETATM 0 H1V RCY A 176 74.081 -7.161 3.870 1.00 1.00 H new HETATM 0 H1U RCY A 176 76.179 -4.083 4.472 1.00 1.00 H new HETATM 0 H1S RCY A 176 74.238 -4.766 6.329 1.00 1.00 H new HETATM 0 H1C RCY A 176 72.787 -3.764 3.039 1.00 1.00 H new HETATM 1461 C1C RCY A 187 80.301 2.045 -2.234 1.00 1.00 C HETATM 1462 O1G RCY A 187 81.183 -0.516 -2.585 1.00 1.00 O HETATM 1463 O1H RCY A 187 78.502 -2.019 1.001 1.00 1.00 O HETATM 1464 O1J RCY A 187 80.389 4.402 -0.361 1.00 1.00 O HETATM 1465 C1L RCY A 187 80.479 -2.737 -1.836 1.00 1.00 C HETATM 1466 C1M RCY A 187 79.796 0.985 1.275 1.00 1.00 C HETATM 1467 C1P RCY A 187 80.582 -1.208 -1.764 1.00 1.00 C HETATM 1468 C1Q RCY A 187 79.398 -1.922 0.164 1.00 1.00 C HETATM 1469 N1R RCY A 187 79.846 -0.651 -0.546 1.00 1.00 N HETATM 1470 C1S RCY A 187 80.267 -3.055 -0.352 1.00 1.00 C HETATM 1471 C1U RCY A 187 79.613 0.804 -0.136 1.00 1.00 C HETATM 1472 C1V RCY A 187 82.061 1.282 -0.576 1.00 1.00 C HETATM 1473 N1V RCY A 187 80.369 3.009 0.077 1.00 1.00 N HETATM 1474 C1W RCY A 187 80.091 2.476 1.481 1.00 1.00 C HETATM 1475 C1X RCY A 187 80.622 1.765 -0.764 1.00 1.00 C HETATM 1476 C1Y RCY A 187 81.319 2.662 2.377 1.00 1.00 C HETATM 1477 C1Z RCY A 187 78.882 3.207 2.064 1.00 1.00 C HETATM 0 H1ZB RCY A 187 78.036 3.112 1.383 1.00 1.00 H new HETATM 0 H1ZA RCY A 187 78.622 2.769 3.028 1.00 1.00 H new HETATM 0 H1YB RCY A 187 81.135 2.201 3.347 1.00 1.00 H new HETATM 0 H1YA RCY A 187 82.185 2.192 1.910 1.00 1.00 H new HETATM 0 H1MA RCY A 187 78.904 0.685 1.825 1.00 1.00 H new HETATM 0 H1LA RCY A 187 79.648 -3.071 -2.457 1.00 1.00 H new HETATM 0 H1CB RCY A 187 80.323 1.111 -2.796 1.00 1.00 H new HETATM 0 H1CA RCY A 187 79.310 2.492 -2.311 1.00 1.00 H new HETATM 0 H1Z RCY A 187 79.124 4.261 2.198 1.00 1.00 H new HETATM 0 H1Y RCY A 187 81.513 3.726 2.512 1.00 1.00 H new HETATM 0 H1U RCY A 187 78.596 1.016 -0.466 1.00 1.00 H new HETATM 0 H1S RCY A 187 81.216 -3.102 0.183 1.00 1.00 H new HETATM 0 H1M RCY A 187 80.618 0.371 1.643 1.00 1.00 H new HETATM 0 H1L RCY A 187 81.382 -3.198 -2.237 1.00 1.00 H new HETATM 0 H1C RCY A 187 81.041 2.732 -2.644 1.00 1.00 H new