USER MOD reduce.3.24.130724 H: found=0, std=0, add=789, rem=0, adj=16 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 29 LYS H : A 29 LYS N : A 130 RCY C1C :(H bumps) USER MOD NoAdj-H: A 110 RCYH1SA : A 110 RCY C1S : A 10 CYS SG :(H bumps) USER MOD NoAdj-H: A 121 RCYH1ZB : A 121 RCY C1Z : A 17 MET SD :(H bumps) USER MOD NoAdj-H: A 121 RCYH1ZA : A 121 RCY C1Z : A 17 MET SD :(H bumps) USER MOD NoAdj-H: A 121 RCYH1YB : A 121 RCY C1Y : A 17 MET CE :(H bumps) USER MOD NoAdj-H: A 121 RCYH1SA : A 121 RCY C1S : A 21 CYS SG :(H bumps) USER MOD NoAdj-H: A 121 RCY H1Z : A 121 RCY C1Z : A 17 MET SD :(H bumps) USER MOD NoAdj-H: A 130 RCYH1VA : A 130 RCY C1V : A 28 PRO CA :(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 RCYH1CA : A 130 RCY C1C : A 29 LYS N :(H bumps) USER MOD NoAdj-H: A 130 RCY H1C : A 130 RCY C1C : A 29 LYS N :(H bumps) USER MOD NoAdj-H: A 138 RCYH1ZB : A 138 RCY C1Z : A 70 TRP CH2 :(H bumps) USER MOD NoAdj-H: A 138 RCYH1VB : A 138 RCY C1V : A 160 RCY N1V :(H bumps) USER MOD NoAdj-H: A 138 RCYH1VA : A 138 RCY C1V : A 160 RCY C1W :(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 H1V : A 138 RCY C1V : A 160 RCY O1J :(H bumps) USER MOD NoAdj-H: A 138 RCY H1L : A 138 RCY C1L : A 160 RCY O1G :(H bumps) USER MOD NoAdj-H: A 150 RCYH1ZB : A 150 RCY C1Z : A 87 CYS CB :(H bumps) USER MOD NoAdj-H: A 150 RCYH1ZA : A 150 RCY C1Z : A 187 RCY C1S :(H bumps) USER MOD NoAdj-H: A 150 RCYH1SA : A 150 RCY C1S : A 50 CYS SG :(H bumps) USER MOD NoAdj-H: A 160 RCYH1VB : A 160 RCY C1V : A 138 RCY O1G :(H bumps) USER MOD NoAdj-H: A 160 RCYH1SA : A 160 RCY C1S : A 60 CYS SG :(H bumps) USER MOD NoAdj-H: A 160 RCYH1LA : A 160 RCY C1L : A 60 CYS C :(H bumps) USER MOD NoAdj-H: A 160 RCYH1CB : A 160 RCY C1C : A 138 RCY C1P :(H bumps) USER MOD NoAdj-H: A 160 RCYH1CA : A 160 RCY C1C : A 138 RCY C1Q :(H bumps) USER MOD NoAdj-H: A 160 RCY H1L : A 160 RCY C1L : A 61 GLY CA :(H bumps) USER MOD NoAdj-H: A 160 RCY H1C : A 160 RCY C1C : A 138 RCY C1P :(H bumps) USER MOD NoAdj-H: A 168 RCYH1SA : A 168 RCY C1S : A 68 CYS SG :(H bumps) USER MOD NoAdj-H: A 173 RCYH1ZB : A 173 RCY C1Z : A 71 GLU CB :(H bumps) USER MOD NoAdj-H: A 173 RCYH1ZA : A 173 RCY C1Z : A 71 GLU CB :(H bumps) USER MOD NoAdj-H: A 173 RCYH1YB : A 173 RCY C1Y : A 168 RCY C1P :(H bumps) USER MOD NoAdj-H: A 173 RCYH1YA : A 173 RCY C1Y : A 168 RCY N1R :(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 RCYH1LA : A 173 RCY C1L : A 73 CYS O :(H bumps) USER MOD NoAdj-H: A 173 RCY H1Z : A 173 RCY C1Z : A 71 GLU CB :(H bumps) USER MOD NoAdj-H: A 173 RCY H1L : A 173 RCY C1L : A 73 CYS C :(H bumps) USER MOD NoAdj-H: A 176 RCYH1VB : A 176 RCY C1V : A 187 RCY O1H :(H bumps) USER MOD NoAdj-H: A 176 RCYH1VA : A 176 RCY C1V : A 187 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 RCY H1V : A 176 RCY C1V : A 187 RCY C1V :(H bumps) USER MOD NoAdj-H: A 187 RCYH1VB : A 187 RCY C1V : A 176 RCY C1V :(H bumps) USER MOD NoAdj-H: A 187 RCYH1SA : A 187 RCY C1S : A 150 RCY C1Z :(H bumps) USER MOD NoAdj-H: A 187 RCY H1S : A 187 RCY C1S : A 150 RCY C1Z :(H bumps) USER MOD Set 1.1: A 40 SER OG : rot 150:sc= 0 USER MOD Set 1.2: A 62 THR OG1 : rot 40:sc= -0.375! USER MOD Set 2.1: A 34 GLN : amide:sc= -4.33! C(o=-7.6!,f=-11!) USER MOD Set 2.2: A 37 GLN :FLIP amide:sc= -3.24! C(o=-11!,f=-7.6!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= -5.29! C(o=-5.3!,f=-16!) USER MOD Single : A 7 LYS NZ :NH3+ 155:sc= -0.512 (180deg=-2.01!) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl -171:sc= 0 (180deg=-0.0341) USER MOD Single : A 22 THR OG1 : rot 140:sc= -1.4 USER MOD Single : A 25 LYS NZ :NH3+ -158:sc= -0.109 (180deg=-0.746) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ -156:sc= -0.0646 (180deg=-0.523) USER MOD Single : A 32 GLN : amide:sc= -7.77! C(o=-7.8!,f=-9.7!) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.198 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 155:sc= 0 (180deg=-0.00528) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN :FLIP amide:sc= 0 F(o=-1.3!,f=0) USER MOD Single : A 57 MET CE :methyl 172:sc= -0.0473 (180deg=-0.0673) USER MOD Single : A 65 THR OG1 : rot 180:sc=-0.00401 USER MOD Single : A 74 ASN : amide:sc= -4.58! C(o=-4.6!,f=-7.5!) USER MOD Single : A 75 HIS : no HD1:sc= -0.568 X(o=-0.57,f=-0.11) USER MOD Single : A 79 HIS : no HD1:sc= 0.122 K(o=0.12,f=-3.3!) USER MOD Single : A 83 GLN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 47.718 12.799 -4.454 1.00 1.00 N ATOM 2 CA MET A 1 48.324 12.210 -3.228 1.00 1.00 C ATOM 3 C MET A 1 49.845 12.365 -3.287 1.00 1.00 C ATOM 4 O MET A 1 50.463 12.878 -2.375 1.00 1.00 O ATOM 5 CB MET A 1 47.961 10.722 -3.146 1.00 1.00 C ATOM 6 CG MET A 1 48.147 10.227 -1.710 1.00 1.00 C ATOM 7 SD MET A 1 49.909 10.223 -1.297 1.00 1.00 S ATOM 8 CE MET A 1 49.731 9.770 0.447 1.00 1.00 C ATOM 0 H1 MET A 1 46.684 12.694 -4.415 1.00 1.00 H new ATOM 0 H2 MET A 1 47.962 13.808 -4.511 1.00 1.00 H new ATOM 0 H3 MET A 1 48.084 12.306 -5.293 1.00 1.00 H new ATOM 0 HA MET A 1 47.942 12.726 -2.347 1.00 1.00 H new ATOM 0 HB2 MET A 1 46.929 10.571 -3.463 1.00 1.00 H new ATOM 0 HB3 MET A 1 48.590 10.146 -3.824 1.00 1.00 H new ATOM 0 HG2 MET A 1 47.602 10.870 -1.019 1.00 1.00 H new ATOM 0 HG3 MET A 1 47.735 9.223 -1.604 1.00 1.00 H new ATOM 0 HE1 MET A 1 50.716 9.709 0.909 1.00 1.00 H new ATOM 0 HE2 MET A 1 49.135 10.525 0.960 1.00 1.00 H new ATOM 0 HE3 MET A 1 49.234 8.803 0.523 1.00 1.00 H new ATOM 17 N ASN A 2 50.454 11.927 -4.355 1.00 1.00 N ATOM 18 CA ASN A 2 51.935 12.049 -4.472 1.00 1.00 C ATOM 19 C ASN A 2 52.301 13.495 -4.819 1.00 1.00 C ATOM 20 O ASN A 2 51.557 14.416 -4.546 1.00 1.00 O ATOM 21 CB ASN A 2 52.437 11.114 -5.575 1.00 1.00 C ATOM 22 CG ASN A 2 53.945 10.905 -5.422 1.00 1.00 C ATOM 23 OD1 ASN A 2 54.430 10.677 -4.332 1.00 1.00 O ATOM 24 ND2 ASN A 2 54.711 10.973 -6.476 1.00 1.00 N ATOM 0 H ASN A 2 49.990 11.490 -5.151 1.00 1.00 H new ATOM 0 HA ASN A 2 52.400 11.775 -3.525 1.00 1.00 H new ATOM 0 HB2 ASN A 2 51.919 10.157 -5.518 1.00 1.00 H new ATOM 0 HB3 ASN A 2 52.216 11.538 -6.554 1.00 1.00 H new ATOM 0 HD21 ASN A 2 55.717 10.835 -6.385 1.00 1.00 H new ATOM 0 HD22 ASN A 2 54.303 11.164 -7.391 1.00 1.00 H new ATOM 31 N LEU A 3 53.444 13.700 -5.419 1.00 1.00 N ATOM 32 CA LEU A 3 53.865 15.084 -5.787 1.00 1.00 C ATOM 33 C LEU A 3 54.483 15.061 -7.189 1.00 1.00 C ATOM 34 O LEU A 3 53.927 15.589 -8.131 1.00 1.00 O ATOM 35 CB LEU A 3 54.902 15.586 -4.764 1.00 1.00 C ATOM 36 CG LEU A 3 54.598 17.037 -4.388 1.00 1.00 C ATOM 37 CD1 LEU A 3 54.309 17.844 -5.655 1.00 1.00 C ATOM 38 CD2 LEU A 3 53.375 17.079 -3.469 1.00 1.00 C ATOM 0 H LEU A 3 54.106 12.966 -5.671 1.00 1.00 H new ATOM 0 HA LEU A 3 53.004 15.752 -5.782 1.00 1.00 H new ATOM 0 HB2 LEU A 3 54.881 14.958 -3.873 1.00 1.00 H new ATOM 0 HB3 LEU A 3 55.905 15.512 -5.183 1.00 1.00 H new ATOM 0 HG LEU A 3 55.457 17.466 -3.872 1.00 1.00 H new ATOM 0 HD11 LEU A 3 54.092 18.878 -5.386 1.00 1.00 H new ATOM 0 HD12 LEU A 3 55.179 17.814 -6.312 1.00 1.00 H new ATOM 0 HD13 LEU A 3 53.450 17.416 -6.171 1.00 1.00 H new ATOM 0 HD21 LEU A 3 53.157 18.113 -3.200 1.00 1.00 H new ATOM 0 HD22 LEU A 3 52.517 16.650 -3.986 1.00 1.00 H new ATOM 0 HD23 LEU A 3 53.579 16.504 -2.565 1.00 1.00 H new ATOM 50 N GLU A 4 55.627 14.449 -7.333 1.00 1.00 N ATOM 51 CA GLU A 4 56.276 14.389 -8.673 1.00 1.00 C ATOM 52 C GLU A 4 55.654 13.242 -9.483 1.00 1.00 C ATOM 53 O GLU A 4 55.573 12.126 -9.011 1.00 1.00 O ATOM 54 CB GLU A 4 57.775 14.131 -8.496 1.00 1.00 C ATOM 55 CG GLU A 4 58.492 14.348 -9.830 1.00 1.00 C ATOM 56 CD GLU A 4 58.513 15.842 -10.161 1.00 1.00 C ATOM 57 OE1 GLU A 4 58.625 16.632 -9.239 1.00 1.00 O ATOM 58 OE2 GLU A 4 58.417 16.170 -11.333 1.00 1.00 O ATOM 0 H GLU A 4 56.140 13.988 -6.581 1.00 1.00 H new ATOM 0 HA GLU A 4 56.127 15.332 -9.198 1.00 1.00 H new ATOM 0 HB2 GLU A 4 58.183 14.801 -7.739 1.00 1.00 H new ATOM 0 HB3 GLU A 4 57.940 13.113 -8.144 1.00 1.00 H new ATOM 0 HG2 GLU A 4 59.510 13.963 -9.775 1.00 1.00 H new ATOM 0 HG3 GLU A 4 57.985 13.796 -10.622 1.00 1.00 H new ATOM 65 N PRO A 5 55.215 13.503 -10.693 1.00 1.00 N ATOM 66 CA PRO A 5 54.596 12.460 -11.557 1.00 1.00 C ATOM 67 C PRO A 5 55.337 11.115 -11.464 1.00 1.00 C ATOM 68 O PRO A 5 56.540 11.060 -11.625 1.00 1.00 O ATOM 69 CB PRO A 5 54.723 13.047 -12.962 1.00 1.00 C ATOM 70 CG PRO A 5 54.685 14.528 -12.764 1.00 1.00 C ATOM 71 CD PRO A 5 55.261 14.809 -11.370 1.00 1.00 C ATOM 0 HA PRO A 5 53.569 12.240 -11.265 1.00 1.00 H new ATOM 0 HB2 PRO A 5 55.653 12.736 -13.438 1.00 1.00 H new ATOM 0 HB3 PRO A 5 53.909 12.713 -13.605 1.00 1.00 H new ATOM 0 HG2 PRO A 5 55.269 15.035 -13.532 1.00 1.00 H new ATOM 0 HG3 PRO A 5 53.664 14.901 -12.842 1.00 1.00 H new ATOM 0 HD2 PRO A 5 56.280 15.192 -11.429 1.00 1.00 H new ATOM 0 HD3 PRO A 5 54.671 15.555 -10.838 1.00 1.00 H new ATOM 79 N PRO A 6 54.633 10.037 -11.207 1.00 1.00 N ATOM 80 CA PRO A 6 55.255 8.686 -11.095 1.00 1.00 C ATOM 81 C PRO A 6 55.594 8.089 -12.466 1.00 1.00 C ATOM 82 O PRO A 6 55.034 8.471 -13.475 1.00 1.00 O ATOM 83 CB PRO A 6 54.178 7.853 -10.397 1.00 1.00 C ATOM 84 CG PRO A 6 52.886 8.495 -10.784 1.00 1.00 C ATOM 85 CD PRO A 6 53.177 9.985 -10.996 1.00 1.00 C ATOM 0 HA PRO A 6 56.202 8.715 -10.555 1.00 1.00 H new ATOM 0 HB2 PRO A 6 54.214 6.812 -10.718 1.00 1.00 H new ATOM 0 HB3 PRO A 6 54.314 7.858 -9.315 1.00 1.00 H new ATOM 0 HG2 PRO A 6 52.489 8.046 -11.694 1.00 1.00 H new ATOM 0 HG3 PRO A 6 52.136 8.355 -10.005 1.00 1.00 H new ATOM 0 HD2 PRO A 6 52.635 10.379 -11.855 1.00 1.00 H new ATOM 0 HD3 PRO A 6 52.878 10.577 -10.131 1.00 1.00 H new ATOM 93 N LYS A 7 56.506 7.155 -12.507 1.00 1.00 N ATOM 94 CA LYS A 7 56.886 6.527 -13.807 1.00 1.00 C ATOM 95 C LYS A 7 57.018 5.015 -13.618 1.00 1.00 C ATOM 96 O LYS A 7 57.305 4.539 -12.539 1.00 1.00 O ATOM 97 CB LYS A 7 58.229 7.093 -14.280 1.00 1.00 C ATOM 98 CG LYS A 7 58.199 8.621 -14.212 1.00 1.00 C ATOM 99 CD LYS A 7 58.771 9.084 -12.870 1.00 1.00 C ATOM 100 CE LYS A 7 60.299 9.052 -12.928 1.00 1.00 C ATOM 101 NZ LYS A 7 60.763 9.702 -14.185 1.00 1.00 N ATOM 0 H LYS A 7 57.007 6.798 -11.693 1.00 1.00 H new ATOM 0 HA LYS A 7 56.118 6.742 -14.550 1.00 1.00 H new ATOM 0 HB2 LYS A 7 59.036 6.708 -13.657 1.00 1.00 H new ATOM 0 HB3 LYS A 7 58.432 6.769 -15.301 1.00 1.00 H new ATOM 0 HG2 LYS A 7 58.780 9.044 -15.032 1.00 1.00 H new ATOM 0 HG3 LYS A 7 57.177 8.981 -14.327 1.00 1.00 H new ATOM 0 HD2 LYS A 7 58.426 10.093 -12.644 1.00 1.00 H new ATOM 0 HD3 LYS A 7 58.413 8.438 -12.068 1.00 1.00 H new ATOM 0 HE2 LYS A 7 60.717 9.568 -12.064 1.00 1.00 H new ATOM 0 HE3 LYS A 7 60.653 8.022 -12.887 1.00 1.00 H new ATOM 0 HZ1 LYS A 7 61.730 10.062 -14.053 1.00 1.00 H new ATOM 0 HZ2 LYS A 7 60.755 9.007 -14.959 1.00 1.00 H new ATOM 0 HZ3 LYS A 7 60.129 10.492 -14.422 1.00 1.00 H new ATOM 115 N ALA A 8 56.817 4.256 -14.660 1.00 1.00 N ATOM 116 CA ALA A 8 56.938 2.776 -14.535 1.00 1.00 C ATOM 117 C ALA A 8 58.325 2.427 -13.992 1.00 1.00 C ATOM 118 O ALA A 8 59.282 3.145 -14.204 1.00 1.00 O ATOM 119 CB ALA A 8 56.750 2.130 -15.909 1.00 1.00 C ATOM 0 H ALA A 8 56.575 4.596 -15.591 1.00 1.00 H new ATOM 0 HA ALA A 8 56.174 2.403 -13.853 1.00 1.00 H new ATOM 0 HB1 ALA A 8 56.839 1.047 -15.817 1.00 1.00 H new ATOM 0 HB2 ALA A 8 55.763 2.382 -16.297 1.00 1.00 H new ATOM 0 HB3 ALA A 8 57.514 2.500 -16.593 1.00 1.00 H new ATOM 125 N GLU A 9 58.444 1.332 -13.292 1.00 1.00 N ATOM 126 CA GLU A 9 59.772 0.944 -12.738 1.00 1.00 C ATOM 127 C GLU A 9 59.815 -0.570 -12.513 1.00 1.00 C ATOM 128 O GLU A 9 60.206 -1.325 -13.381 1.00 1.00 O ATOM 129 CB GLU A 9 60.000 1.664 -11.404 1.00 1.00 C ATOM 130 CG GLU A 9 58.715 1.631 -10.574 1.00 1.00 C ATOM 131 CD GLU A 9 58.070 3.019 -10.576 1.00 1.00 C ATOM 132 OE1 GLU A 9 58.791 3.986 -10.392 1.00 1.00 O ATOM 133 OE2 GLU A 9 56.866 3.090 -10.762 1.00 1.00 O ATOM 0 H GLU A 9 57.680 0.690 -13.080 1.00 1.00 H new ATOM 0 HA GLU A 9 60.553 1.227 -13.444 1.00 1.00 H new ATOM 0 HB2 GLU A 9 60.811 1.185 -10.855 1.00 1.00 H new ATOM 0 HB3 GLU A 9 60.302 2.696 -11.584 1.00 1.00 H new ATOM 0 HG2 GLU A 9 58.023 0.896 -10.985 1.00 1.00 H new ATOM 0 HG3 GLU A 9 58.937 1.323 -9.552 1.00 1.00 H new ATOM 140 N CYS A 10 59.420 -1.018 -11.352 1.00 1.00 N ATOM 141 CA CYS A 10 59.442 -2.481 -11.067 1.00 1.00 C ATOM 142 C CYS A 10 58.269 -2.840 -10.152 1.00 1.00 C ATOM 143 O CYS A 10 57.212 -3.229 -10.606 1.00 1.00 O ATOM 144 CB CYS A 10 60.758 -2.843 -10.375 1.00 1.00 C ATOM 145 SG CYS A 10 62.144 -2.452 -11.472 1.00 1.00 S ATOM 0 H CYS A 10 59.083 -0.433 -10.588 1.00 1.00 H new ATOM 0 HA CYS A 10 59.356 -3.036 -12.001 1.00 1.00 H new ATOM 0 HB2 CYS A 10 60.853 -2.291 -9.440 1.00 1.00 H new ATOM 0 HB3 CYS A 10 60.769 -3.903 -10.122 1.00 1.00 H new ATOM 150 N ARG A 11 58.449 -2.710 -8.864 1.00 1.00 N ATOM 151 CA ARG A 11 57.349 -3.040 -7.912 1.00 1.00 C ATOM 152 C ARG A 11 56.675 -1.748 -7.448 1.00 1.00 C ATOM 153 O ARG A 11 56.926 -0.682 -7.974 1.00 1.00 O ATOM 154 CB ARG A 11 57.928 -3.775 -6.702 1.00 1.00 C ATOM 155 CG ARG A 11 58.734 -4.985 -7.178 1.00 1.00 C ATOM 156 CD ARG A 11 59.469 -5.609 -5.989 1.00 1.00 C ATOM 157 NE ARG A 11 60.528 -4.674 -5.514 1.00 1.00 N ATOM 158 CZ ARG A 11 61.677 -4.622 -6.131 1.00 1.00 C ATOM 159 NH1 ARG A 11 61.898 -5.389 -7.163 1.00 1.00 N ATOM 160 NH2 ARG A 11 62.604 -3.803 -5.715 1.00 1.00 N ATOM 0 H ARG A 11 59.314 -2.388 -8.429 1.00 1.00 H new ATOM 0 HA ARG A 11 56.616 -3.676 -8.408 1.00 1.00 H new ATOM 0 HB2 ARG A 11 58.565 -3.104 -6.126 1.00 1.00 H new ATOM 0 HB3 ARG A 11 57.124 -4.098 -6.040 1.00 1.00 H new ATOM 0 HG2 ARG A 11 58.071 -5.720 -7.636 1.00 1.00 H new ATOM 0 HG3 ARG A 11 59.449 -4.681 -7.942 1.00 1.00 H new ATOM 0 HD2 ARG A 11 58.766 -5.819 -5.183 1.00 1.00 H new ATOM 0 HD3 ARG A 11 59.913 -6.561 -6.281 1.00 1.00 H new ATOM 0 HE ARG A 11 60.355 -4.075 -4.707 1.00 1.00 H new ATOM 0 HH11 ARG A 11 61.173 -6.029 -7.487 1.00 1.00 H new ATOM 0 HH12 ARG A 11 62.796 -5.349 -7.645 1.00 1.00 H new ATOM 0 HH21 ARG A 11 62.430 -3.204 -4.908 1.00 1.00 H new ATOM 0 HH22 ARG A 11 63.502 -3.762 -6.197 1.00 1.00 H new ATOM 174 N SER A 12 55.820 -1.831 -6.464 1.00 1.00 N ATOM 175 CA SER A 12 55.132 -0.605 -5.967 1.00 1.00 C ATOM 176 C SER A 12 55.980 0.047 -4.873 1.00 1.00 C ATOM 177 O SER A 12 55.834 1.216 -4.577 1.00 1.00 O ATOM 178 CB SER A 12 53.766 -0.982 -5.394 1.00 1.00 C ATOM 179 OG SER A 12 52.885 -1.310 -6.459 1.00 1.00 O ATOM 0 H SER A 12 55.569 -2.695 -5.983 1.00 1.00 H new ATOM 0 HA SER A 12 54.999 0.095 -6.792 1.00 1.00 H new ATOM 0 HB2 SER A 12 53.865 -1.829 -4.715 1.00 1.00 H new ATOM 0 HB3 SER A 12 53.361 -0.153 -4.814 1.00 1.00 H new ATOM 0 HG SER A 12 52.008 -1.554 -6.095 1.00 1.00 H new ATOM 185 N ALA A 13 56.865 -0.699 -4.269 1.00 1.00 N ATOM 186 CA ALA A 13 57.720 -0.120 -3.194 1.00 1.00 C ATOM 187 C ALA A 13 56.829 0.466 -2.096 1.00 1.00 C ATOM 188 O ALA A 13 56.203 1.492 -2.273 1.00 1.00 O ATOM 189 CB ALA A 13 58.602 0.984 -3.781 1.00 1.00 C ATOM 0 H ALA A 13 57.033 -1.684 -4.474 1.00 1.00 H new ATOM 0 HA ALA A 13 58.352 -0.901 -2.771 1.00 1.00 H new ATOM 0 HB1 ALA A 13 59.227 1.407 -2.995 1.00 1.00 H new ATOM 0 HB2 ALA A 13 59.236 0.566 -4.563 1.00 1.00 H new ATOM 0 HB3 ALA A 13 57.972 1.766 -4.204 1.00 1.00 H new ATOM 195 N THR A 14 56.766 -0.179 -0.962 1.00 1.00 N ATOM 196 CA THR A 14 55.912 0.338 0.146 1.00 1.00 C ATOM 197 C THR A 14 56.143 1.840 0.320 1.00 1.00 C ATOM 198 O THR A 14 55.338 2.537 0.904 1.00 1.00 O ATOM 199 CB THR A 14 56.270 -0.385 1.447 1.00 1.00 C ATOM 200 OG1 THR A 14 55.404 0.054 2.484 1.00 1.00 O ATOM 201 CG2 THR A 14 57.719 -0.074 1.824 1.00 1.00 C ATOM 0 H THR A 14 57.269 -1.042 -0.755 1.00 1.00 H new ATOM 0 HA THR A 14 54.864 0.160 -0.096 1.00 1.00 H new ATOM 0 HB THR A 14 56.156 -1.460 1.309 1.00 1.00 H new ATOM 0 HG1 THR A 14 55.631 -0.409 3.317 1.00 1.00 H new ATOM 0 HG21 THR A 14 57.973 -0.589 2.750 1.00 1.00 H new ATOM 0 HG22 THR A 14 58.383 -0.411 1.028 1.00 1.00 H new ATOM 0 HG23 THR A 14 57.836 1.001 1.963 1.00 1.00 H new ATOM 209 N ARG A 15 57.238 2.346 -0.179 1.00 1.00 N ATOM 210 CA ARG A 15 57.515 3.802 -0.036 1.00 1.00 C ATOM 211 C ARG A 15 57.442 4.187 1.443 1.00 1.00 C ATOM 212 O ARG A 15 56.384 4.460 1.972 1.00 1.00 O ATOM 213 CB ARG A 15 56.473 4.600 -0.822 1.00 1.00 C ATOM 214 CG ARG A 15 56.942 6.049 -0.967 1.00 1.00 C ATOM 215 CD ARG A 15 55.987 6.805 -1.893 1.00 1.00 C ATOM 216 NE ARG A 15 56.639 8.061 -2.360 1.00 1.00 N ATOM 217 CZ ARG A 15 56.210 8.656 -3.440 1.00 1.00 C ATOM 218 NH1 ARG A 15 55.210 8.151 -4.110 1.00 1.00 N ATOM 219 NH2 ARG A 15 56.780 9.756 -3.849 1.00 1.00 N ATOM 0 H ARG A 15 57.951 1.814 -0.678 1.00 1.00 H new ATOM 0 HA ARG A 15 58.509 4.024 -0.424 1.00 1.00 H new ATOM 0 HB2 ARG A 15 56.325 4.155 -1.806 1.00 1.00 H new ATOM 0 HB3 ARG A 15 55.512 4.567 -0.309 1.00 1.00 H new ATOM 0 HG2 ARG A 15 56.975 6.531 0.010 1.00 1.00 H new ATOM 0 HG3 ARG A 15 57.954 6.076 -1.371 1.00 1.00 H new ATOM 0 HD2 ARG A 15 55.721 6.181 -2.747 1.00 1.00 H new ATOM 0 HD3 ARG A 15 55.061 7.037 -1.367 1.00 1.00 H new ATOM 0 HE ARG A 15 57.420 8.456 -1.836 1.00 1.00 H new ATOM 0 HH11 ARG A 15 54.764 7.292 -3.790 1.00 1.00 H new ATOM 0 HH12 ARG A 15 54.875 8.616 -4.954 1.00 1.00 H new ATOM 0 HH21 ARG A 15 57.561 10.151 -3.325 1.00 1.00 H new ATOM 0 HH22 ARG A 15 56.445 10.221 -4.693 1.00 1.00 H new ATOM 233 N VAL A 16 58.560 4.205 2.114 1.00 1.00 N ATOM 234 CA VAL A 16 58.557 4.566 3.560 1.00 1.00 C ATOM 235 C VAL A 16 60.000 4.715 4.044 1.00 1.00 C ATOM 236 O VAL A 16 60.257 5.160 5.145 1.00 1.00 O ATOM 237 CB VAL A 16 57.855 3.458 4.354 1.00 1.00 C ATOM 238 CG1 VAL A 16 58.785 2.249 4.477 1.00 1.00 C ATOM 239 CG2 VAL A 16 57.507 3.976 5.751 1.00 1.00 C ATOM 0 H VAL A 16 59.476 3.985 1.724 1.00 1.00 H new ATOM 0 HA VAL A 16 58.028 5.507 3.707 1.00 1.00 H new ATOM 0 HB VAL A 16 56.942 3.163 3.836 1.00 1.00 H new ATOM 0 HG11 VAL A 16 58.285 1.462 5.042 1.00 1.00 H new ATOM 0 HG12 VAL A 16 59.035 1.880 3.482 1.00 1.00 H new ATOM 0 HG13 VAL A 16 59.698 2.543 4.995 1.00 1.00 H new ATOM 0 HG21 VAL A 16 57.008 3.189 6.317 1.00 1.00 H new ATOM 0 HG22 VAL A 16 58.420 4.271 6.268 1.00 1.00 H new ATOM 0 HG23 VAL A 16 56.845 4.837 5.665 1.00 1.00 H new ATOM 249 N MET A 17 60.945 4.341 3.226 1.00 1.00 N ATOM 250 CA MET A 17 62.373 4.453 3.633 1.00 1.00 C ATOM 251 C MET A 17 62.709 5.915 3.934 1.00 1.00 C ATOM 252 O MET A 17 63.460 6.213 4.841 1.00 1.00 O ATOM 253 CB MET A 17 63.266 3.946 2.497 1.00 1.00 C ATOM 254 CG MET A 17 62.981 2.464 2.245 1.00 1.00 C ATOM 255 SD MET A 17 61.468 2.299 1.266 1.00 1.00 S ATOM 256 CE MET A 17 62.252 2.297 -0.365 1.00 1.00 C ATOM 0 H MET A 17 60.789 3.962 2.292 1.00 1.00 H new ATOM 0 HA MET A 17 62.544 3.853 4.527 1.00 1.00 H new ATOM 0 HB2 MET A 17 63.081 4.522 1.590 1.00 1.00 H new ATOM 0 HB3 MET A 17 64.316 4.086 2.755 1.00 1.00 H new ATOM 0 HG2 MET A 17 63.819 2.006 1.719 1.00 1.00 H new ATOM 0 HG3 MET A 17 62.873 1.937 3.193 1.00 1.00 H new ATOM 0 HE1 MET A 17 61.486 2.364 -1.137 1.00 1.00 H new ATOM 0 HE2 MET A 17 62.924 3.151 -0.447 1.00 1.00 H new ATOM 0 HE3 MET A 17 62.819 1.375 -0.495 1.00 1.00 H new ATOM 266 N GLY A 18 62.161 6.831 3.181 1.00 1.00 N ATOM 267 CA GLY A 18 62.457 8.270 3.433 1.00 1.00 C ATOM 268 C GLY A 18 61.794 9.132 2.356 1.00 1.00 C ATOM 269 O GLY A 18 62.397 10.039 1.817 1.00 1.00 O ATOM 0 H GLY A 18 61.524 6.646 2.406 1.00 1.00 H new ATOM 0 HA2 GLY A 18 62.092 8.559 4.419 1.00 1.00 H new ATOM 0 HA3 GLY A 18 63.534 8.435 3.431 1.00 1.00 H new ATOM 273 N GLY A 19 60.556 8.863 2.040 1.00 1.00 N ATOM 274 CA GLY A 19 59.860 9.675 1.001 1.00 1.00 C ATOM 275 C GLY A 19 60.670 9.648 -0.299 1.00 1.00 C ATOM 276 O GLY A 19 61.478 8.767 -0.516 1.00 1.00 O ATOM 0 H GLY A 19 59.997 8.118 2.456 1.00 1.00 H new ATOM 0 HA2 GLY A 19 58.859 9.280 0.826 1.00 1.00 H new ATOM 0 HA3 GLY A 19 59.742 10.702 1.346 1.00 1.00 H new ATOM 280 N PRO A 20 60.451 10.609 -1.161 1.00 1.00 N ATOM 281 CA PRO A 20 61.169 10.701 -2.466 1.00 1.00 C ATOM 282 C PRO A 20 62.684 10.521 -2.312 1.00 1.00 C ATOM 283 O PRO A 20 63.257 10.849 -1.292 1.00 1.00 O ATOM 284 CB PRO A 20 60.838 12.111 -2.961 1.00 1.00 C ATOM 285 CG PRO A 20 59.528 12.446 -2.329 1.00 1.00 C ATOM 286 CD PRO A 20 59.492 11.712 -0.987 1.00 1.00 C ATOM 0 HA PRO A 20 60.861 9.915 -3.156 1.00 1.00 H new ATOM 0 HB2 PRO A 20 61.610 12.823 -2.669 1.00 1.00 H new ATOM 0 HB3 PRO A 20 60.771 12.142 -4.048 1.00 1.00 H new ATOM 0 HG2 PRO A 20 59.431 13.522 -2.185 1.00 1.00 H new ATOM 0 HG3 PRO A 20 58.700 12.133 -2.965 1.00 1.00 H new ATOM 0 HD2 PRO A 20 59.781 12.367 -0.165 1.00 1.00 H new ATOM 0 HD3 PRO A 20 58.492 11.340 -0.761 1.00 1.00 H new ATOM 294 N CYS A 21 63.333 10.000 -3.318 1.00 1.00 N ATOM 295 CA CYS A 21 64.807 9.795 -3.233 1.00 1.00 C ATOM 296 C CYS A 21 65.526 11.063 -3.701 1.00 1.00 C ATOM 297 O CYS A 21 65.725 11.276 -4.880 1.00 1.00 O ATOM 298 CB CYS A 21 65.207 8.621 -4.130 1.00 1.00 C ATOM 299 SG CYS A 21 66.815 7.980 -3.603 1.00 1.00 S ATOM 0 H CYS A 21 62.905 9.707 -4.196 1.00 1.00 H new ATOM 0 HA CYS A 21 65.087 9.579 -2.202 1.00 1.00 H new ATOM 0 HB2 CYS A 21 64.454 7.835 -4.075 1.00 1.00 H new ATOM 0 HB3 CYS A 21 65.255 8.944 -5.170 1.00 1.00 H new ATOM 304 N THR A 22 65.920 11.907 -2.786 1.00 1.00 N ATOM 305 CA THR A 22 66.627 13.158 -3.184 1.00 1.00 C ATOM 306 C THR A 22 68.107 12.846 -3.442 1.00 1.00 C ATOM 307 O THR A 22 68.657 11.929 -2.866 1.00 1.00 O ATOM 308 CB THR A 22 66.508 14.190 -2.058 1.00 1.00 C ATOM 309 OG1 THR A 22 67.610 15.084 -2.120 1.00 1.00 O ATOM 310 CG2 THR A 22 66.503 13.475 -0.706 1.00 1.00 C ATOM 0 H THR A 22 65.783 11.785 -1.783 1.00 1.00 H new ATOM 0 HA THR A 22 66.177 13.560 -4.092 1.00 1.00 H new ATOM 0 HB THR A 22 65.579 14.749 -2.173 1.00 1.00 H new ATOM 0 HG1 THR A 22 67.303 15.996 -1.934 1.00 1.00 H new ATOM 0 HG21 THR A 22 66.418 14.210 0.094 1.00 1.00 H new ATOM 0 HG22 THR A 22 65.657 12.790 -0.660 1.00 1.00 H new ATOM 0 HG23 THR A 22 67.430 12.915 -0.587 1.00 1.00 H new ATOM 318 N PRO A 23 68.745 13.602 -4.305 1.00 1.00 N ATOM 319 CA PRO A 23 70.187 13.411 -4.653 1.00 1.00 C ATOM 320 C PRO A 23 71.065 13.044 -3.445 1.00 1.00 C ATOM 321 O PRO A 23 70.863 12.036 -2.799 1.00 1.00 O ATOM 322 CB PRO A 23 70.583 14.776 -5.217 1.00 1.00 C ATOM 323 CG PRO A 23 69.337 15.300 -5.851 1.00 1.00 C ATOM 324 CD PRO A 23 68.160 14.731 -5.049 1.00 1.00 C ATOM 0 HA PRO A 23 70.330 12.580 -5.343 1.00 1.00 H new ATOM 0 HB2 PRO A 23 70.937 15.442 -4.430 1.00 1.00 H new ATOM 0 HB3 PRO A 23 71.389 14.685 -5.945 1.00 1.00 H new ATOM 0 HG2 PRO A 23 69.324 16.390 -5.836 1.00 1.00 H new ATOM 0 HG3 PRO A 23 69.277 14.995 -6.896 1.00 1.00 H new ATOM 0 HD2 PRO A 23 67.739 15.477 -4.375 1.00 1.00 H new ATOM 0 HD3 PRO A 23 67.353 14.402 -5.704 1.00 1.00 H new ATOM 332 N ARG A 24 72.052 13.848 -3.149 1.00 1.00 N ATOM 333 CA ARG A 24 72.952 13.541 -2.000 1.00 1.00 C ATOM 334 C ARG A 24 72.208 13.766 -0.680 1.00 1.00 C ATOM 335 O ARG A 24 71.508 12.900 -0.196 1.00 1.00 O ATOM 336 CB ARG A 24 74.175 14.462 -2.057 1.00 1.00 C ATOM 337 CG ARG A 24 73.757 15.834 -2.591 1.00 1.00 C ATOM 338 CD ARG A 24 74.725 16.900 -2.074 1.00 1.00 C ATOM 339 NE ARG A 24 74.262 17.387 -0.744 1.00 1.00 N ATOM 340 CZ ARG A 24 74.624 18.567 -0.319 1.00 1.00 C ATOM 341 NH1 ARG A 24 75.391 19.320 -1.059 1.00 1.00 N ATOM 342 NH2 ARG A 24 74.219 18.994 0.846 1.00 1.00 N ATOM 0 H ARG A 24 72.274 14.706 -3.655 1.00 1.00 H new ATOM 0 HA ARG A 24 73.269 12.500 -2.059 1.00 1.00 H new ATOM 0 HB2 ARG A 24 74.613 14.564 -1.064 1.00 1.00 H new ATOM 0 HB3 ARG A 24 74.941 14.028 -2.700 1.00 1.00 H new ATOM 0 HG2 ARG A 24 73.756 15.827 -3.681 1.00 1.00 H new ATOM 0 HG3 ARG A 24 72.741 16.066 -2.273 1.00 1.00 H new ATOM 0 HD2 ARG A 24 75.730 16.485 -1.992 1.00 1.00 H new ATOM 0 HD3 ARG A 24 74.779 17.730 -2.779 1.00 1.00 H new ATOM 0 HE ARG A 24 73.662 16.798 -0.166 1.00 1.00 H new ATOM 0 HH11 ARG A 24 75.708 18.987 -1.969 1.00 1.00 H new ATOM 0 HH12 ARG A 24 75.674 20.242 -0.727 1.00 1.00 H new ATOM 0 HH21 ARG A 24 73.619 18.406 1.425 1.00 1.00 H new ATOM 0 HH22 ARG A 24 74.502 19.916 1.178 1.00 1.00 H new ATOM 356 N LYS A 25 72.369 14.924 -0.095 1.00 1.00 N ATOM 357 CA LYS A 25 71.688 15.223 1.199 1.00 1.00 C ATOM 358 C LYS A 25 72.122 14.205 2.256 1.00 1.00 C ATOM 359 O LYS A 25 71.982 13.011 2.084 1.00 1.00 O ATOM 360 CB LYS A 25 70.168 15.168 1.018 1.00 1.00 C ATOM 361 CG LYS A 25 69.729 16.264 0.046 1.00 1.00 C ATOM 362 CD LYS A 25 69.677 17.607 0.778 1.00 1.00 C ATOM 363 CE LYS A 25 69.041 18.660 -0.130 1.00 1.00 C ATOM 364 NZ LYS A 25 69.640 18.570 -1.491 1.00 1.00 N ATOM 0 H LYS A 25 72.947 15.680 -0.461 1.00 1.00 H new ATOM 0 HA LYS A 25 71.968 16.224 1.526 1.00 1.00 H new ATOM 0 HB2 LYS A 25 69.872 14.190 0.638 1.00 1.00 H new ATOM 0 HB3 LYS A 25 69.672 15.300 1.979 1.00 1.00 H new ATOM 0 HG2 LYS A 25 70.424 16.321 -0.792 1.00 1.00 H new ATOM 0 HG3 LYS A 25 68.749 16.026 -0.368 1.00 1.00 H new ATOM 0 HD2 LYS A 25 69.101 17.509 1.698 1.00 1.00 H new ATOM 0 HD3 LYS A 25 70.682 17.917 1.063 1.00 1.00 H new ATOM 0 HE2 LYS A 25 67.963 18.505 -0.184 1.00 1.00 H new ATOM 0 HE3 LYS A 25 69.200 19.656 0.284 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 69.508 19.474 -1.989 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 70.656 18.364 -1.410 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 69.174 17.809 -2.026 1.00 1.00 H new ATOM 378 N GLY A 26 72.656 14.676 3.349 1.00 1.00 N ATOM 379 CA GLY A 26 73.114 13.753 4.424 1.00 1.00 C ATOM 380 C GLY A 26 74.374 13.020 3.963 1.00 1.00 C ATOM 381 O GLY A 26 74.378 11.817 3.808 1.00 1.00 O ATOM 0 H GLY A 26 72.795 15.667 3.544 1.00 1.00 H new ATOM 0 HA2 GLY A 26 73.319 14.313 5.336 1.00 1.00 H new ATOM 0 HA3 GLY A 26 72.329 13.035 4.661 1.00 1.00 H new ATOM 385 N PRO A 27 75.435 13.748 3.741 1.00 1.00 N ATOM 386 CA PRO A 27 76.734 13.177 3.280 1.00 1.00 C ATOM 387 C PRO A 27 77.401 12.330 4.370 1.00 1.00 C ATOM 388 O PRO A 27 76.866 12.170 5.449 1.00 1.00 O ATOM 389 CB PRO A 27 77.592 14.413 2.943 1.00 1.00 C ATOM 390 CG PRO A 27 76.667 15.587 2.975 1.00 1.00 C ATOM 391 CD PRO A 27 75.513 15.205 3.898 1.00 1.00 C ATOM 0 HA PRO A 27 76.606 12.507 2.430 1.00 1.00 H new ATOM 0 HB2 PRO A 27 78.399 14.534 3.665 1.00 1.00 H new ATOM 0 HB3 PRO A 27 78.055 14.309 1.962 1.00 1.00 H new ATOM 0 HG2 PRO A 27 77.180 16.475 3.343 1.00 1.00 H new ATOM 0 HG3 PRO A 27 76.303 15.821 1.975 1.00 1.00 H new ATOM 0 HD2 PRO A 27 75.711 15.490 4.931 1.00 1.00 H new ATOM 0 HD3 PRO A 27 74.583 15.693 3.605 1.00 1.00 H new ATOM 399 N PRO A 28 78.561 11.791 4.094 1.00 1.00 N ATOM 400 CA PRO A 28 79.303 10.949 5.075 1.00 1.00 C ATOM 401 C PRO A 28 79.475 11.657 6.422 1.00 1.00 C ATOM 402 O PRO A 28 79.916 12.787 6.487 1.00 1.00 O ATOM 403 CB PRO A 28 80.663 10.715 4.408 1.00 1.00 C ATOM 404 CG PRO A 28 80.422 10.903 2.947 1.00 1.00 C ATOM 405 CD PRO A 28 79.287 11.920 2.821 1.00 1.00 C ATOM 0 HA PRO A 28 78.772 10.024 5.301 1.00 1.00 H new ATOM 0 HB2 PRO A 28 81.409 11.419 4.778 1.00 1.00 H new ATOM 0 HB3 PRO A 28 81.038 9.713 4.619 1.00 1.00 H new ATOM 0 HG2 PRO A 28 81.322 11.263 2.449 1.00 1.00 H new ATOM 0 HG3 PRO A 28 80.151 9.959 2.474 1.00 1.00 H new ATOM 0 HD2 PRO A 28 79.669 12.931 2.678 1.00 1.00 H new ATOM 0 HD3 PRO A 28 78.644 11.699 1.969 1.00 1.00 H new ATOM 413 N LYS A 29 79.128 10.999 7.496 1.00 1.00 N ATOM 414 CA LYS A 29 79.266 11.625 8.844 1.00 1.00 C ATOM 415 C LYS A 29 80.186 10.763 9.709 1.00 1.00 C ATOM 416 O LYS A 29 80.530 11.124 10.818 1.00 1.00 O ATOM 417 CB LYS A 29 77.886 11.717 9.505 1.00 1.00 C ATOM 418 CG LYS A 29 77.091 12.863 8.877 1.00 1.00 C ATOM 419 CD LYS A 29 77.380 14.161 9.634 1.00 1.00 C ATOM 420 CE LYS A 29 76.679 15.327 8.936 1.00 1.00 C ATOM 421 NZ LYS A 29 76.709 16.526 9.820 1.00 1.00 N ATOM 0 HA LYS A 29 79.689 12.624 8.742 1.00 1.00 H new ATOM 0 HB2 LYS A 29 77.349 10.777 9.380 1.00 1.00 H new ATOM 0 HB3 LYS A 29 77.995 11.882 10.577 1.00 1.00 H new ATOM 0 HG2 LYS A 29 77.361 12.974 7.827 1.00 1.00 H new ATOM 0 HG3 LYS A 29 76.024 12.640 8.910 1.00 1.00 H new ATOM 0 HD2 LYS A 29 77.033 14.078 10.664 1.00 1.00 H new ATOM 0 HD3 LYS A 29 78.455 14.340 9.673 1.00 1.00 H new ATOM 0 HE2 LYS A 29 77.172 15.548 7.989 1.00 1.00 H new ATOM 0 HE3 LYS A 29 75.648 15.059 8.704 1.00 1.00 H new ATOM 0 HZ1 LYS A 29 76.232 17.319 9.345 1.00 1.00 H new ATOM 0 HZ2 LYS A 29 76.220 16.312 10.712 1.00 1.00 H new ATOM 0 HZ3 LYS A 29 77.696 16.785 10.020 1.00 1.00 H new ATOM 435 N CYS A 30 80.587 9.625 9.213 1.00 1.00 N ATOM 436 CA CYS A 30 81.483 8.738 10.007 1.00 1.00 C ATOM 437 C CYS A 30 80.940 8.617 11.434 1.00 1.00 C ATOM 438 O CYS A 30 81.421 9.255 12.349 1.00 1.00 O ATOM 439 CB CYS A 30 82.896 9.333 10.036 1.00 1.00 C ATOM 440 SG CYS A 30 83.966 8.398 8.914 1.00 1.00 S ATOM 0 H CYS A 30 80.332 9.271 8.291 1.00 1.00 H new ATOM 0 HA CYS A 30 81.521 7.749 9.550 1.00 1.00 H new ATOM 0 HB2 CYS A 30 82.867 10.381 9.739 1.00 1.00 H new ATOM 0 HB3 CYS A 30 83.296 9.300 11.049 1.00 1.00 H new ATOM 445 N LYS A 31 79.939 7.803 11.629 1.00 1.00 N ATOM 446 CA LYS A 31 79.365 7.639 12.994 1.00 1.00 C ATOM 447 C LYS A 31 80.124 6.537 13.734 1.00 1.00 C ATOM 448 O LYS A 31 79.543 5.751 14.453 1.00 1.00 O ATOM 449 CB LYS A 31 77.888 7.255 12.883 1.00 1.00 C ATOM 450 CG LYS A 31 77.074 8.476 12.449 1.00 1.00 C ATOM 451 CD LYS A 31 75.606 8.079 12.285 1.00 1.00 C ATOM 452 CE LYS A 31 74.737 9.338 12.253 1.00 1.00 C ATOM 453 NZ LYS A 31 74.698 9.950 13.611 1.00 1.00 N ATOM 0 H LYS A 31 79.494 7.244 10.901 1.00 1.00 H new ATOM 0 HA LYS A 31 79.456 8.576 13.543 1.00 1.00 H new ATOM 0 HB2 LYS A 31 77.765 6.447 12.162 1.00 1.00 H new ATOM 0 HB3 LYS A 31 77.525 6.884 13.842 1.00 1.00 H new ATOM 0 HG2 LYS A 31 77.166 9.270 13.190 1.00 1.00 H new ATOM 0 HG3 LYS A 31 77.462 8.870 11.510 1.00 1.00 H new ATOM 0 HD2 LYS A 31 75.473 7.509 11.365 1.00 1.00 H new ATOM 0 HD3 LYS A 31 75.299 7.433 13.108 1.00 1.00 H new ATOM 0 HE2 LYS A 31 75.138 10.051 11.533 1.00 1.00 H new ATOM 0 HE3 LYS A 31 73.728 9.088 11.926 1.00 1.00 H new ATOM 0 HZ1 LYS A 31 73.837 10.525 13.708 1.00 1.00 H new ATOM 0 HZ2 LYS A 31 74.696 9.199 14.330 1.00 1.00 H new ATOM 0 HZ3 LYS A 31 75.534 10.554 13.744 1.00 1.00 H new ATOM 467 N GLN A 32 81.422 6.481 13.553 1.00 1.00 N ATOM 468 CA GLN A 32 82.253 5.437 14.232 1.00 1.00 C ATOM 469 C GLN A 32 81.415 4.181 14.503 1.00 1.00 C ATOM 470 O GLN A 32 81.515 3.565 15.545 1.00 1.00 O ATOM 471 CB GLN A 32 82.825 5.991 15.552 1.00 1.00 C ATOM 472 CG GLN A 32 81.885 7.060 16.113 1.00 1.00 C ATOM 473 CD GLN A 32 80.610 6.395 16.637 1.00 1.00 C ATOM 474 OE1 GLN A 32 80.589 5.205 16.883 1.00 1.00 O ATOM 475 NE2 GLN A 32 79.539 7.118 16.819 1.00 1.00 N ATOM 0 H GLN A 32 81.946 7.121 12.957 1.00 1.00 H new ATOM 0 HA GLN A 32 83.080 5.167 13.576 1.00 1.00 H new ATOM 0 HB2 GLN A 32 82.946 5.184 16.274 1.00 1.00 H new ATOM 0 HB3 GLN A 32 83.814 6.416 15.381 1.00 1.00 H new ATOM 0 HG2 GLN A 32 82.378 7.608 16.916 1.00 1.00 H new ATOM 0 HG3 GLN A 32 81.637 7.785 15.338 1.00 1.00 H new ATOM 0 HE21 GLN A 32 79.557 8.117 16.613 1.00 1.00 H new ATOM 0 HE22 GLN A 32 78.684 6.684 17.168 1.00 1.00 H new ATOM 484 N ARG A 33 80.593 3.795 13.566 1.00 1.00 N ATOM 485 CA ARG A 33 79.754 2.579 13.763 1.00 1.00 C ATOM 486 C ARG A 33 80.586 1.336 13.440 1.00 1.00 C ATOM 487 O ARG A 33 81.680 1.163 13.940 1.00 1.00 O ATOM 488 CB ARG A 33 78.540 2.640 12.830 1.00 1.00 C ATOM 489 CG ARG A 33 77.490 1.623 13.282 1.00 1.00 C ATOM 490 CD ARG A 33 76.549 2.276 14.295 1.00 1.00 C ATOM 491 NE ARG A 33 77.235 2.382 15.614 1.00 1.00 N ATOM 492 CZ ARG A 33 77.403 1.318 16.349 1.00 1.00 C ATOM 493 NH1 ARG A 33 76.970 0.160 15.930 1.00 1.00 N ATOM 494 NH2 ARG A 33 78.004 1.411 17.504 1.00 1.00 N ATOM 0 H ARG A 33 80.466 4.269 12.672 1.00 1.00 H new ATOM 0 HA ARG A 33 79.413 2.532 14.797 1.00 1.00 H new ATOM 0 HB2 ARG A 33 78.115 3.644 12.836 1.00 1.00 H new ATOM 0 HB3 ARG A 33 78.846 2.430 11.805 1.00 1.00 H new ATOM 0 HG2 ARG A 33 76.924 1.263 12.423 1.00 1.00 H new ATOM 0 HG3 ARG A 33 77.977 0.756 13.728 1.00 1.00 H new ATOM 0 HD2 ARG A 33 76.253 3.265 13.947 1.00 1.00 H new ATOM 0 HD3 ARG A 33 75.638 1.686 14.393 1.00 1.00 H new ATOM 0 HE ARG A 33 77.573 3.287 15.942 1.00 1.00 H new ATOM 0 HH11 ARG A 33 76.500 0.087 15.028 1.00 1.00 H new ATOM 0 HH12 ARG A 33 77.102 -0.672 16.505 1.00 1.00 H new ATOM 0 HH21 ARG A 33 78.342 2.316 17.832 1.00 1.00 H new ATOM 0 HH22 ARG A 33 78.135 0.579 18.079 1.00 1.00 H new ATOM 508 N GLN A 34 80.080 0.470 12.606 1.00 1.00 N ATOM 509 CA GLN A 34 80.845 -0.759 12.249 1.00 1.00 C ATOM 510 C GLN A 34 81.397 -1.407 13.521 1.00 1.00 C ATOM 511 O GLN A 34 82.590 -1.576 13.675 1.00 1.00 O ATOM 512 CB GLN A 34 82.003 -0.382 11.318 1.00 1.00 C ATOM 513 CG GLN A 34 82.733 -1.647 10.863 1.00 1.00 C ATOM 514 CD GLN A 34 84.076 -1.751 11.588 1.00 1.00 C ATOM 515 OE1 GLN A 34 84.327 -2.708 12.292 1.00 1.00 O ATOM 516 NE2 GLN A 34 84.957 -0.799 11.443 1.00 1.00 N ATOM 0 H GLN A 34 79.169 0.560 12.156 1.00 1.00 H new ATOM 0 HA GLN A 34 80.187 -1.465 11.743 1.00 1.00 H new ATOM 0 HB2 GLN A 34 81.624 0.162 10.453 1.00 1.00 H new ATOM 0 HB3 GLN A 34 82.695 0.283 11.834 1.00 1.00 H new ATOM 0 HG2 GLN A 34 82.125 -2.526 11.074 1.00 1.00 H new ATOM 0 HG3 GLN A 34 82.891 -1.620 9.785 1.00 1.00 H new ATOM 0 HE21 GLN A 34 84.746 0.005 10.852 1.00 1.00 H new ATOM 0 HE22 GLN A 34 85.856 -0.859 11.921 1.00 1.00 H new ATOM 525 N THR A 35 80.540 -1.775 14.433 1.00 1.00 N ATOM 526 CA THR A 35 81.021 -2.414 15.690 1.00 1.00 C ATOM 527 C THR A 35 81.971 -3.560 15.340 1.00 1.00 C ATOM 528 O THR A 35 83.049 -3.677 15.889 1.00 1.00 O ATOM 529 CB THR A 35 79.826 -2.961 16.474 1.00 1.00 C ATOM 530 OG1 THR A 35 78.829 -1.955 16.576 1.00 1.00 O ATOM 531 CG2 THR A 35 80.279 -3.378 17.874 1.00 1.00 C ATOM 0 H THR A 35 79.529 -1.661 14.362 1.00 1.00 H new ATOM 0 HA THR A 35 81.545 -1.677 16.299 1.00 1.00 H new ATOM 0 HB THR A 35 79.416 -3.828 15.955 1.00 1.00 H new ATOM 0 HG1 THR A 35 78.062 -2.304 17.076 1.00 1.00 H new ATOM 0 HG21 THR A 35 79.427 -3.767 18.431 1.00 1.00 H new ATOM 0 HG22 THR A 35 81.044 -4.150 17.794 1.00 1.00 H new ATOM 0 HG23 THR A 35 80.690 -2.514 18.396 1.00 1.00 H new ATOM 539 N ARG A 36 81.580 -4.405 14.427 1.00 1.00 N ATOM 540 CA ARG A 36 82.457 -5.544 14.034 1.00 1.00 C ATOM 541 C ARG A 36 81.949 -6.133 12.712 1.00 1.00 C ATOM 542 O ARG A 36 81.350 -7.190 12.677 1.00 1.00 O ATOM 543 CB ARG A 36 82.430 -6.613 15.142 1.00 1.00 C ATOM 544 CG ARG A 36 83.816 -6.721 15.780 1.00 1.00 C ATOM 545 CD ARG A 36 83.737 -7.604 17.027 1.00 1.00 C ATOM 546 NE ARG A 36 85.080 -8.182 17.313 1.00 1.00 N ATOM 547 CZ ARG A 36 85.459 -9.278 16.717 1.00 1.00 C ATOM 548 NH1 ARG A 36 84.662 -9.869 15.870 1.00 1.00 N ATOM 549 NH2 ARG A 36 86.636 -9.784 16.967 1.00 1.00 N ATOM 0 H ARG A 36 80.688 -4.356 13.934 1.00 1.00 H new ATOM 0 HA ARG A 36 83.483 -5.200 13.901 1.00 1.00 H new ATOM 0 HB2 ARG A 36 81.690 -6.350 15.898 1.00 1.00 H new ATOM 0 HB3 ARG A 36 82.133 -7.576 14.726 1.00 1.00 H new ATOM 0 HG2 ARG A 36 84.524 -7.143 15.067 1.00 1.00 H new ATOM 0 HG3 ARG A 36 84.184 -5.730 16.046 1.00 1.00 H new ATOM 0 HD2 ARG A 36 83.393 -7.018 17.879 1.00 1.00 H new ATOM 0 HD3 ARG A 36 83.011 -8.402 16.875 1.00 1.00 H new ATOM 0 HE ARG A 36 85.703 -7.720 17.975 1.00 1.00 H new ATOM 0 HH11 ARG A 36 83.742 -9.474 15.674 1.00 1.00 H new ATOM 0 HH12 ARG A 36 84.958 -10.726 15.404 1.00 1.00 H new ATOM 0 HH21 ARG A 36 87.260 -9.322 17.629 1.00 1.00 H new ATOM 0 HH22 ARG A 36 86.932 -10.641 16.501 1.00 1.00 H new ATOM 563 N GLN A 37 82.180 -5.451 11.622 1.00 1.00 N ATOM 564 CA GLN A 37 81.708 -5.966 10.305 1.00 1.00 C ATOM 565 C GLN A 37 80.254 -6.430 10.431 1.00 1.00 C ATOM 566 O GLN A 37 79.374 -5.658 10.757 1.00 1.00 O ATOM 567 CB GLN A 37 82.587 -7.142 9.873 1.00 1.00 C ATOM 568 CG GLN A 37 83.984 -6.631 9.518 1.00 1.00 C ATOM 569 CD GLN A 37 84.667 -6.091 10.776 1.00 1.00 C ATOM 570 OE1 GLN A 37 84.587 -4.818 11.051 1.00 1.00 O flip ATOM 571 NE2 GLN A 37 85.278 -6.836 11.517 1.00 1.00 N flip ATOM 0 H GLN A 37 82.675 -4.560 11.587 1.00 1.00 H new ATOM 0 HA GLN A 37 81.772 -5.174 9.559 1.00 1.00 H new ATOM 0 HB2 GLN A 37 82.650 -7.877 10.676 1.00 1.00 H new ATOM 0 HB3 GLN A 37 82.143 -7.645 9.014 1.00 1.00 H new ATOM 0 HG2 GLN A 37 84.578 -7.436 9.086 1.00 1.00 H new ATOM 0 HG3 GLN A 37 83.915 -5.847 8.764 1.00 1.00 H new ATOM 0 HE21 GLN A 37 85.340 -7.831 11.302 1.00 1.00 H new ATOM 0 HE22 GLN A 37 85.728 -6.466 12.354 1.00 1.00 H new ATOM 580 N CYS A 38 79.994 -7.685 10.180 1.00 1.00 N ATOM 581 CA CYS A 38 78.597 -8.193 10.291 1.00 1.00 C ATOM 582 C CYS A 38 78.623 -9.687 10.620 1.00 1.00 C ATOM 583 O CYS A 38 79.075 -10.498 9.837 1.00 1.00 O ATOM 584 CB CYS A 38 77.866 -7.975 8.965 1.00 1.00 C ATOM 585 SG CYS A 38 78.971 -8.384 7.591 1.00 1.00 S ATOM 0 H CYS A 38 80.688 -8.379 9.903 1.00 1.00 H new ATOM 0 HA CYS A 38 78.077 -7.655 11.084 1.00 1.00 H new ATOM 0 HB2 CYS A 38 76.972 -8.597 8.924 1.00 1.00 H new ATOM 0 HB3 CYS A 38 77.537 -6.939 8.885 1.00 1.00 H new ATOM 590 N LYS A 39 78.139 -10.055 11.775 1.00 1.00 N ATOM 591 CA LYS A 39 78.132 -11.494 12.159 1.00 1.00 C ATOM 592 C LYS A 39 76.870 -12.161 11.606 1.00 1.00 C ATOM 593 O LYS A 39 76.130 -12.805 12.323 1.00 1.00 O ATOM 594 CB LYS A 39 78.155 -11.616 13.689 1.00 1.00 C ATOM 595 CG LYS A 39 78.979 -10.471 14.283 1.00 1.00 C ATOM 596 CD LYS A 39 78.058 -9.292 14.603 1.00 1.00 C ATOM 597 CE LYS A 39 77.623 -9.367 16.067 1.00 1.00 C ATOM 598 NZ LYS A 39 78.697 -8.804 16.934 1.00 1.00 N ATOM 0 H LYS A 39 77.748 -9.419 12.470 1.00 1.00 H new ATOM 0 HA LYS A 39 79.012 -11.987 11.746 1.00 1.00 H new ATOM 0 HB2 LYS A 39 77.139 -11.588 14.081 1.00 1.00 H new ATOM 0 HB3 LYS A 39 78.583 -12.575 13.981 1.00 1.00 H new ATOM 0 HG2 LYS A 39 79.487 -10.805 15.188 1.00 1.00 H new ATOM 0 HG3 LYS A 39 79.752 -10.162 13.579 1.00 1.00 H new ATOM 0 HD2 LYS A 39 78.575 -8.351 14.414 1.00 1.00 H new ATOM 0 HD3 LYS A 39 77.184 -9.312 13.952 1.00 1.00 H new ATOM 0 HE2 LYS A 39 76.696 -8.812 16.211 1.00 1.00 H new ATOM 0 HE3 LYS A 39 77.421 -10.401 16.345 1.00 1.00 H new ATOM 0 HZ1 LYS A 39 78.402 -8.855 17.930 1.00 1.00 H new ATOM 0 HZ2 LYS A 39 79.571 -9.352 16.804 1.00 1.00 H new ATOM 0 HZ3 LYS A 39 78.869 -7.812 16.674 1.00 1.00 H new ATOM 612 N SER A 40 76.618 -12.010 10.334 1.00 1.00 N ATOM 613 CA SER A 40 75.404 -12.632 9.731 1.00 1.00 C ATOM 614 C SER A 40 75.693 -13.005 8.276 1.00 1.00 C ATOM 615 O SER A 40 75.318 -12.300 7.360 1.00 1.00 O ATOM 616 CB SER A 40 74.244 -11.637 9.781 1.00 1.00 C ATOM 617 OG SER A 40 73.145 -12.160 9.047 1.00 1.00 O ATOM 0 H SER A 40 77.201 -11.482 9.685 1.00 1.00 H new ATOM 0 HA SER A 40 75.138 -13.529 10.291 1.00 1.00 H new ATOM 0 HB2 SER A 40 73.951 -11.454 10.815 1.00 1.00 H new ATOM 0 HB3 SER A 40 74.553 -10.679 9.362 1.00 1.00 H new ATOM 0 HG SER A 40 72.307 -11.831 9.434 1.00 1.00 H new ATOM 623 N LYS A 41 76.358 -14.109 8.058 1.00 1.00 N ATOM 624 CA LYS A 41 76.678 -14.536 6.664 1.00 1.00 C ATOM 625 C LYS A 41 76.140 -15.952 6.430 1.00 1.00 C ATOM 626 O LYS A 41 76.863 -16.923 6.539 1.00 1.00 O ATOM 627 CB LYS A 41 78.200 -14.526 6.468 1.00 1.00 C ATOM 628 CG LYS A 41 78.889 -14.785 7.809 1.00 1.00 C ATOM 629 CD LYS A 41 80.374 -15.067 7.575 1.00 1.00 C ATOM 630 CE LYS A 41 81.140 -14.895 8.888 1.00 1.00 C ATOM 631 NZ LYS A 41 82.588 -15.160 8.656 1.00 1.00 N ATOM 0 H LYS A 41 76.695 -14.736 8.789 1.00 1.00 H new ATOM 0 HA LYS A 41 76.215 -13.850 5.954 1.00 1.00 H new ATOM 0 HB2 LYS A 41 78.489 -15.289 5.745 1.00 1.00 H new ATOM 0 HB3 LYS A 41 78.519 -13.566 6.063 1.00 1.00 H new ATOM 0 HG2 LYS A 41 78.771 -13.921 8.463 1.00 1.00 H new ATOM 0 HG3 LYS A 41 78.422 -15.632 8.312 1.00 1.00 H new ATOM 0 HD2 LYS A 41 80.507 -16.080 7.194 1.00 1.00 H new ATOM 0 HD3 LYS A 41 80.769 -14.388 6.820 1.00 1.00 H new ATOM 0 HE2 LYS A 41 81.001 -13.885 9.273 1.00 1.00 H new ATOM 0 HE3 LYS A 41 80.750 -15.579 9.641 1.00 1.00 H new ATOM 0 HZ1 LYS A 41 83.110 -15.043 9.548 1.00 1.00 H new ATOM 0 HZ2 LYS A 41 82.712 -16.132 8.307 1.00 1.00 H new ATOM 0 HZ3 LYS A 41 82.955 -14.490 7.950 1.00 1.00 H new ATOM 645 N PRO A 42 74.877 -16.067 6.107 1.00 1.00 N ATOM 646 CA PRO A 42 74.227 -17.381 5.848 1.00 1.00 C ATOM 647 C PRO A 42 74.457 -17.864 4.411 1.00 1.00 C ATOM 648 O PRO A 42 74.795 -17.089 3.538 1.00 1.00 O ATOM 649 CB PRO A 42 72.746 -17.086 6.090 1.00 1.00 C ATOM 650 CG PRO A 42 72.572 -15.644 5.736 1.00 1.00 C ATOM 651 CD PRO A 42 73.924 -14.955 5.957 1.00 1.00 C ATOM 0 HA PRO A 42 74.626 -18.175 6.480 1.00 1.00 H new ATOM 0 HB2 PRO A 42 72.112 -17.722 5.473 1.00 1.00 H new ATOM 0 HB3 PRO A 42 72.472 -17.273 7.128 1.00 1.00 H new ATOM 0 HG2 PRO A 42 72.252 -15.539 4.699 1.00 1.00 H new ATOM 0 HG3 PRO A 42 71.801 -15.186 6.356 1.00 1.00 H new ATOM 0 HD2 PRO A 42 74.188 -14.316 5.114 1.00 1.00 H new ATOM 0 HD3 PRO A 42 73.908 -14.322 6.844 1.00 1.00 H new ATOM 659 N PRO A 43 74.271 -19.135 4.167 1.00 1.00 N ATOM 660 CA PRO A 43 74.457 -19.729 2.811 1.00 1.00 C ATOM 661 C PRO A 43 73.544 -19.070 1.771 1.00 1.00 C ATOM 662 O PRO A 43 72.339 -19.038 1.920 1.00 1.00 O ATOM 663 CB PRO A 43 74.096 -21.213 2.993 1.00 1.00 C ATOM 664 CG PRO A 43 73.353 -21.296 4.286 1.00 1.00 C ATOM 665 CD PRO A 43 73.858 -20.143 5.153 1.00 1.00 C ATOM 0 HA PRO A 43 75.472 -19.584 2.441 1.00 1.00 H new ATOM 0 HB2 PRO A 43 73.482 -21.570 2.166 1.00 1.00 H new ATOM 0 HB3 PRO A 43 74.992 -21.833 3.016 1.00 1.00 H new ATOM 0 HG2 PRO A 43 72.278 -21.216 4.122 1.00 1.00 H new ATOM 0 HG3 PRO A 43 73.530 -22.254 4.774 1.00 1.00 H new ATOM 0 HD2 PRO A 43 73.078 -19.764 5.813 1.00 1.00 H new ATOM 0 HD3 PRO A 43 74.690 -20.450 5.787 1.00 1.00 H new ATOM 673 N LYS A 44 74.111 -18.540 0.721 1.00 1.00 N ATOM 674 CA LYS A 44 73.278 -17.879 -0.324 1.00 1.00 C ATOM 675 C LYS A 44 73.991 -17.976 -1.677 1.00 1.00 C ATOM 676 O LYS A 44 73.377 -18.228 -2.695 1.00 1.00 O ATOM 677 CB LYS A 44 73.074 -16.402 0.053 1.00 1.00 C ATOM 678 CG LYS A 44 71.584 -16.059 0.004 1.00 1.00 C ATOM 679 CD LYS A 44 70.880 -16.660 1.222 1.00 1.00 C ATOM 680 CE LYS A 44 69.581 -15.899 1.489 1.00 1.00 C ATOM 681 NZ LYS A 44 69.883 -14.650 2.245 1.00 1.00 N ATOM 0 H LYS A 44 75.115 -18.536 0.542 1.00 1.00 H new ATOM 0 HA LYS A 44 72.309 -18.372 -0.393 1.00 1.00 H new ATOM 0 HB2 LYS A 44 73.468 -16.214 1.052 1.00 1.00 H new ATOM 0 HB3 LYS A 44 73.627 -15.761 -0.634 1.00 1.00 H new ATOM 0 HG2 LYS A 44 71.450 -14.977 -0.010 1.00 1.00 H new ATOM 0 HG3 LYS A 44 71.141 -16.447 -0.913 1.00 1.00 H new ATOM 0 HD2 LYS A 44 70.667 -17.715 1.048 1.00 1.00 H new ATOM 0 HD3 LYS A 44 71.531 -16.606 2.095 1.00 1.00 H new ATOM 0 HE2 LYS A 44 69.089 -15.657 0.547 1.00 1.00 H new ATOM 0 HE3 LYS A 44 68.892 -16.523 2.058 1.00 1.00 H new ATOM 0 HZ1 LYS A 44 69.136 -13.948 2.069 1.00 1.00 H new ATOM 0 HZ2 LYS A 44 69.927 -14.862 3.262 1.00 1.00 H new ATOM 0 HZ3 LYS A 44 70.798 -14.267 1.932 1.00 1.00 H new ATOM 695 N LYS A 45 75.282 -17.777 -1.694 1.00 1.00 N ATOM 696 CA LYS A 45 76.038 -17.855 -2.978 1.00 1.00 C ATOM 697 C LYS A 45 77.366 -18.580 -2.744 1.00 1.00 C ATOM 698 O LYS A 45 77.515 -19.741 -3.072 1.00 1.00 O ATOM 699 CB LYS A 45 76.312 -16.440 -3.493 1.00 1.00 C ATOM 700 CG LYS A 45 76.799 -16.508 -4.942 1.00 1.00 C ATOM 701 CD LYS A 45 76.905 -15.093 -5.512 1.00 1.00 C ATOM 702 CE LYS A 45 75.558 -14.680 -6.109 1.00 1.00 C ATOM 703 NZ LYS A 45 75.469 -13.193 -6.153 1.00 1.00 N ATOM 0 H LYS A 45 75.847 -17.563 -0.872 1.00 1.00 H new ATOM 0 HA LYS A 45 75.450 -18.403 -3.715 1.00 1.00 H new ATOM 0 HB2 LYS A 45 75.406 -15.837 -3.431 1.00 1.00 H new ATOM 0 HB3 LYS A 45 77.062 -15.954 -2.869 1.00 1.00 H new ATOM 0 HG2 LYS A 45 77.769 -17.003 -4.988 1.00 1.00 H new ATOM 0 HG3 LYS A 45 76.109 -17.102 -5.541 1.00 1.00 H new ATOM 0 HD2 LYS A 45 77.196 -14.395 -4.728 1.00 1.00 H new ATOM 0 HD3 LYS A 45 77.681 -15.055 -6.277 1.00 1.00 H new ATOM 0 HE2 LYS A 45 75.452 -15.091 -7.113 1.00 1.00 H new ATOM 0 HE3 LYS A 45 74.743 -15.086 -5.510 1.00 1.00 H new ATOM 0 HZ1 LYS A 45 74.554 -12.912 -6.559 1.00 1.00 H new ATOM 0 HZ2 LYS A 45 75.552 -12.812 -5.189 1.00 1.00 H new ATOM 0 HZ3 LYS A 45 76.239 -12.816 -6.742 1.00 1.00 H new ATOM 717 N GLY A 46 78.332 -17.906 -2.179 1.00 1.00 N ATOM 718 CA GLY A 46 79.652 -18.555 -1.922 1.00 1.00 C ATOM 719 C GLY A 46 80.777 -17.577 -2.267 1.00 1.00 C ATOM 720 O GLY A 46 80.943 -16.559 -1.626 1.00 1.00 O ATOM 0 H GLY A 46 78.264 -16.932 -1.884 1.00 1.00 H new ATOM 0 HA2 GLY A 46 79.724 -18.855 -0.877 1.00 1.00 H new ATOM 0 HA3 GLY A 46 79.747 -19.461 -2.521 1.00 1.00 H new ATOM 724 N VAL A 47 81.549 -17.881 -3.277 1.00 1.00 N ATOM 725 CA VAL A 47 82.668 -16.974 -3.673 1.00 1.00 C ATOM 726 C VAL A 47 82.406 -16.429 -5.079 1.00 1.00 C ATOM 727 O VAL A 47 82.781 -15.321 -5.405 1.00 1.00 O ATOM 728 CB VAL A 47 83.983 -17.756 -3.667 1.00 1.00 C ATOM 729 CG1 VAL A 47 84.264 -18.272 -2.255 1.00 1.00 C ATOM 730 CG2 VAL A 47 83.875 -18.941 -4.629 1.00 1.00 C ATOM 0 H VAL A 47 81.453 -18.721 -3.847 1.00 1.00 H new ATOM 0 HA VAL A 47 82.734 -16.146 -2.967 1.00 1.00 H new ATOM 0 HB VAL A 47 84.796 -17.102 -3.983 1.00 1.00 H new ATOM 0 HG11 VAL A 47 85.201 -18.829 -2.251 1.00 1.00 H new ATOM 0 HG12 VAL A 47 84.340 -17.429 -1.568 1.00 1.00 H new ATOM 0 HG13 VAL A 47 83.452 -18.926 -1.938 1.00 1.00 H new ATOM 0 HG21 VAL A 47 84.811 -19.499 -4.626 1.00 1.00 H new ATOM 0 HG22 VAL A 47 83.062 -19.594 -4.312 1.00 1.00 H new ATOM 0 HG23 VAL A 47 83.674 -18.575 -5.636 1.00 1.00 H new ATOM 740 N GLN A 48 81.763 -17.202 -5.912 1.00 1.00 N ATOM 741 CA GLN A 48 81.474 -16.733 -7.298 1.00 1.00 C ATOM 742 C GLN A 48 82.790 -16.487 -8.041 1.00 1.00 C ATOM 743 O GLN A 48 83.163 -17.233 -8.925 1.00 1.00 O ATOM 744 CB GLN A 48 80.662 -15.435 -7.242 1.00 1.00 C ATOM 745 CG GLN A 48 79.909 -15.247 -8.560 1.00 1.00 C ATOM 746 CD GLN A 48 79.113 -13.941 -8.512 1.00 1.00 C ATOM 747 OE1 GLN A 48 79.284 -13.124 -7.509 1.00 1.00 O flip ATOM 748 NE2 GLN A 48 78.328 -13.661 -9.396 1.00 1.00 N flip ATOM 0 H GLN A 48 81.425 -18.139 -5.692 1.00 1.00 H new ATOM 0 HA GLN A 48 80.899 -17.494 -7.826 1.00 1.00 H new ATOM 0 HB2 GLN A 48 79.958 -15.469 -6.410 1.00 1.00 H new ATOM 0 HB3 GLN A 48 81.324 -14.587 -7.065 1.00 1.00 H new ATOM 0 HG2 GLN A 48 80.612 -15.226 -9.393 1.00 1.00 H new ATOM 0 HG3 GLN A 48 79.237 -16.088 -8.731 1.00 1.00 H new ATOM 0 HE21 GLN A 48 78.194 -14.299 -10.180 1.00 1.00 H new ATOM 0 HE22 GLN A 48 77.803 -12.788 -9.354 1.00 1.00 H new ATOM 757 N GLY A 49 83.498 -15.448 -7.692 1.00 1.00 N ATOM 758 CA GLY A 49 84.788 -15.161 -8.383 1.00 1.00 C ATOM 759 C GLY A 49 85.508 -14.008 -7.680 1.00 1.00 C ATOM 760 O GLY A 49 86.716 -14.008 -7.551 1.00 1.00 O ATOM 0 H GLY A 49 83.240 -14.786 -6.960 1.00 1.00 H new ATOM 0 HA2 GLY A 49 85.418 -16.050 -8.381 1.00 1.00 H new ATOM 0 HA3 GLY A 49 84.603 -14.904 -9.426 1.00 1.00 H new ATOM 764 N CYS A 50 84.780 -13.024 -7.227 1.00 1.00 N ATOM 765 CA CYS A 50 85.430 -11.874 -6.538 1.00 1.00 C ATOM 766 C CYS A 50 85.736 -12.252 -5.088 1.00 1.00 C ATOM 767 O CYS A 50 84.872 -12.232 -4.235 1.00 1.00 O ATOM 768 CB CYS A 50 84.491 -10.666 -6.563 1.00 1.00 C ATOM 769 SG CYS A 50 82.869 -11.149 -5.921 1.00 1.00 S ATOM 0 H CYS A 50 83.765 -12.967 -7.304 1.00 1.00 H new ATOM 0 HA CYS A 50 86.359 -11.623 -7.051 1.00 1.00 H new ATOM 0 HB2 CYS A 50 84.906 -9.857 -5.962 1.00 1.00 H new ATOM 0 HB3 CYS A 50 84.393 -10.289 -7.581 1.00 1.00 H new ATOM 774 N GLY A 51 86.965 -12.596 -4.805 1.00 1.00 N ATOM 775 CA GLY A 51 87.339 -12.976 -3.410 1.00 1.00 C ATOM 776 C GLY A 51 88.068 -11.810 -2.739 1.00 1.00 C ATOM 777 O GLY A 51 87.462 -10.969 -2.106 1.00 1.00 O ATOM 0 H GLY A 51 87.728 -12.630 -5.481 1.00 1.00 H new ATOM 0 HA2 GLY A 51 86.446 -13.236 -2.841 1.00 1.00 H new ATOM 0 HA3 GLY A 51 87.978 -13.859 -3.422 1.00 1.00 H new ATOM 781 N ASP A 52 89.366 -11.754 -2.872 1.00 1.00 N ATOM 782 CA ASP A 52 90.133 -10.643 -2.240 1.00 1.00 C ATOM 783 C ASP A 52 89.842 -10.613 -0.738 1.00 1.00 C ATOM 784 O ASP A 52 88.787 -10.190 -0.310 1.00 1.00 O ATOM 785 CB ASP A 52 89.715 -9.312 -2.868 1.00 1.00 C ATOM 786 CG ASP A 52 90.743 -8.236 -2.514 1.00 1.00 C ATOM 787 OD1 ASP A 52 91.924 -8.500 -2.669 1.00 1.00 O ATOM 788 OD2 ASP A 52 90.332 -7.167 -2.095 1.00 1.00 O ATOM 0 H ASP A 52 89.928 -12.429 -3.391 1.00 1.00 H new ATOM 0 HA ASP A 52 91.200 -10.800 -2.400 1.00 1.00 H new ATOM 0 HB2 ASP A 52 89.640 -9.416 -3.950 1.00 1.00 H new ATOM 0 HB3 ASP A 52 88.729 -9.021 -2.506 1.00 1.00 H new ATOM 793 N ASP A 53 90.770 -11.058 0.066 1.00 1.00 N ATOM 794 CA ASP A 53 90.549 -11.058 1.541 1.00 1.00 C ATOM 795 C ASP A 53 89.273 -11.835 1.867 1.00 1.00 C ATOM 796 O ASP A 53 88.445 -12.072 1.011 1.00 1.00 O ATOM 797 CB ASP A 53 90.410 -9.618 2.040 1.00 1.00 C ATOM 798 CG ASP A 53 90.437 -9.604 3.570 1.00 1.00 C ATOM 799 OD1 ASP A 53 91.381 -10.136 4.130 1.00 1.00 O ATOM 800 OD2 ASP A 53 89.514 -9.062 4.154 1.00 1.00 O ATOM 0 H ASP A 53 91.674 -11.422 -0.236 1.00 1.00 H new ATOM 0 HA ASP A 53 91.399 -11.531 2.033 1.00 1.00 H new ATOM 0 HB2 ASP A 53 91.221 -9.005 1.646 1.00 1.00 H new ATOM 0 HB3 ASP A 53 89.478 -9.185 1.678 1.00 1.00 H new ATOM 805 N ILE A 54 89.107 -12.231 3.103 1.00 1.00 N ATOM 806 CA ILE A 54 87.884 -12.993 3.495 1.00 1.00 C ATOM 807 C ILE A 54 87.230 -12.315 4.703 1.00 1.00 C ATOM 808 O ILE A 54 87.379 -12.753 5.826 1.00 1.00 O ATOM 809 CB ILE A 54 88.278 -14.426 3.872 1.00 1.00 C ATOM 810 CG1 ILE A 54 88.888 -15.123 2.654 1.00 1.00 C ATOM 811 CG2 ILE A 54 87.036 -15.195 4.328 1.00 1.00 C ATOM 812 CD1 ILE A 54 87.861 -15.165 1.521 1.00 1.00 C ATOM 0 H ILE A 54 89.769 -12.059 3.860 1.00 1.00 H new ATOM 0 HA ILE A 54 87.183 -13.013 2.661 1.00 1.00 H new ATOM 0 HB ILE A 54 89.007 -14.401 4.682 1.00 1.00 H new ATOM 0 HG12 ILE A 54 89.783 -14.592 2.328 1.00 1.00 H new ATOM 0 HG13 ILE A 54 89.196 -16.135 2.917 1.00 1.00 H new ATOM 0 HG21 ILE A 54 87.317 -16.214 4.596 1.00 1.00 H new ATOM 0 HG22 ILE A 54 86.599 -14.699 5.195 1.00 1.00 H new ATOM 0 HG23 ILE A 54 86.306 -15.221 3.519 1.00 1.00 H new ATOM 0 HD11 ILE A 54 88.296 -15.662 0.654 1.00 1.00 H new ATOM 0 HD12 ILE A 54 86.979 -15.715 1.850 1.00 1.00 H new ATOM 0 HD13 ILE A 54 87.575 -14.148 1.251 1.00 1.00 H new ATOM 824 N PRO A 55 86.504 -11.254 4.469 1.00 1.00 N ATOM 825 CA PRO A 55 85.805 -10.502 5.544 1.00 1.00 C ATOM 826 C PRO A 55 84.434 -11.106 5.862 1.00 1.00 C ATOM 827 O PRO A 55 83.846 -10.836 6.891 1.00 1.00 O ATOM 828 CB PRO A 55 85.655 -9.106 4.941 1.00 1.00 C ATOM 829 CG PRO A 55 85.546 -9.330 3.467 1.00 1.00 C ATOM 830 CD PRO A 55 86.270 -10.644 3.150 1.00 1.00 C ATOM 0 HA PRO A 55 86.348 -10.516 6.489 1.00 1.00 H new ATOM 0 HB2 PRO A 55 84.771 -8.601 5.330 1.00 1.00 H new ATOM 0 HB3 PRO A 55 86.512 -8.478 5.182 1.00 1.00 H new ATOM 0 HG2 PRO A 55 84.501 -9.384 3.163 1.00 1.00 H new ATOM 0 HG3 PRO A 55 85.995 -8.502 2.918 1.00 1.00 H new ATOM 0 HD2 PRO A 55 85.664 -11.290 2.514 1.00 1.00 H new ATOM 0 HD3 PRO A 55 87.207 -10.465 2.622 1.00 1.00 H new ATOM 838 N GLY A 56 83.923 -11.921 4.981 1.00 1.00 N ATOM 839 CA GLY A 56 82.592 -12.548 5.218 1.00 1.00 C ATOM 840 C GLY A 56 82.145 -13.276 3.949 1.00 1.00 C ATOM 841 O GLY A 56 81.153 -12.926 3.342 1.00 1.00 O ATOM 0 H GLY A 56 84.372 -12.181 4.103 1.00 1.00 H new ATOM 0 HA2 GLY A 56 82.650 -13.248 6.052 1.00 1.00 H new ATOM 0 HA3 GLY A 56 81.862 -11.786 5.491 1.00 1.00 H new ATOM 845 N MET A 57 82.880 -14.283 3.545 1.00 1.00 N ATOM 846 CA MET A 57 82.524 -15.051 2.310 1.00 1.00 C ATOM 847 C MET A 57 81.840 -14.128 1.294 1.00 1.00 C ATOM 848 O MET A 57 82.465 -13.264 0.712 1.00 1.00 O ATOM 849 CB MET A 57 81.595 -16.219 2.669 1.00 1.00 C ATOM 850 CG MET A 57 80.635 -15.790 3.781 1.00 1.00 C ATOM 851 SD MET A 57 79.516 -17.157 4.172 1.00 1.00 S ATOM 852 CE MET A 57 78.132 -16.620 3.137 1.00 1.00 C ATOM 0 H MET A 57 83.720 -14.609 4.023 1.00 1.00 H new ATOM 0 HA MET A 57 83.437 -15.448 1.865 1.00 1.00 H new ATOM 0 HB2 MET A 57 81.032 -16.532 1.790 1.00 1.00 H new ATOM 0 HB3 MET A 57 82.183 -17.078 2.994 1.00 1.00 H new ATOM 0 HG2 MET A 57 81.197 -15.500 4.669 1.00 1.00 H new ATOM 0 HG3 MET A 57 80.064 -14.917 3.466 1.00 1.00 H new ATOM 0 HE1 MET A 57 77.371 -17.400 3.114 1.00 1.00 H new ATOM 0 HE2 MET A 57 77.703 -15.706 3.548 1.00 1.00 H new ATOM 0 HE3 MET A 57 78.487 -16.430 2.124 1.00 1.00 H new ATOM 862 N GLU A 58 80.565 -14.301 1.076 1.00 1.00 N ATOM 863 CA GLU A 58 79.857 -13.429 0.098 1.00 1.00 C ATOM 864 C GLU A 58 78.351 -13.695 0.170 1.00 1.00 C ATOM 865 O GLU A 58 77.701 -13.914 -0.832 1.00 1.00 O ATOM 866 CB GLU A 58 80.368 -13.729 -1.317 1.00 1.00 C ATOM 867 CG GLU A 58 80.240 -12.475 -2.184 1.00 1.00 C ATOM 868 CD GLU A 58 78.811 -11.935 -2.093 1.00 1.00 C ATOM 869 OE1 GLU A 58 77.964 -12.436 -2.814 1.00 1.00 O ATOM 870 OE2 GLU A 58 78.589 -11.030 -1.306 1.00 1.00 O ATOM 0 H GLU A 58 79.985 -15.006 1.531 1.00 1.00 H new ATOM 0 HA GLU A 58 80.049 -12.383 0.338 1.00 1.00 H new ATOM 0 HB2 GLU A 58 81.408 -14.052 -1.278 1.00 1.00 H new ATOM 0 HB3 GLU A 58 79.796 -14.547 -1.756 1.00 1.00 H new ATOM 0 HG2 GLU A 58 80.949 -11.716 -1.852 1.00 1.00 H new ATOM 0 HG3 GLU A 58 80.486 -12.709 -3.220 1.00 1.00 H new ATOM 877 N GLY A 59 77.793 -13.672 1.351 1.00 1.00 N ATOM 878 CA GLY A 59 76.328 -13.917 1.499 1.00 1.00 C ATOM 879 C GLY A 59 75.630 -12.600 1.842 1.00 1.00 C ATOM 880 O GLY A 59 74.968 -12.002 1.017 1.00 1.00 O ATOM 0 H GLY A 59 78.291 -13.493 2.223 1.00 1.00 H new ATOM 0 HA2 GLY A 59 75.921 -14.328 0.575 1.00 1.00 H new ATOM 0 HA3 GLY A 59 76.148 -14.653 2.283 1.00 1.00 H new ATOM 884 N CYS A 60 75.778 -12.142 3.054 1.00 1.00 N ATOM 885 CA CYS A 60 75.130 -10.861 3.453 1.00 1.00 C ATOM 886 C CYS A 60 75.651 -10.436 4.828 1.00 1.00 C ATOM 887 O CYS A 60 76.700 -10.868 5.263 1.00 1.00 O ATOM 888 CB CYS A 60 73.613 -11.055 3.515 1.00 1.00 C ATOM 889 SG CYS A 60 72.796 -9.440 3.483 1.00 1.00 S ATOM 0 H CYS A 60 76.320 -12.600 3.786 1.00 1.00 H new ATOM 0 HA CYS A 60 75.365 -10.088 2.721 1.00 1.00 H new ATOM 0 HB2 CYS A 60 73.278 -11.660 2.673 1.00 1.00 H new ATOM 0 HB3 CYS A 60 73.341 -11.594 4.423 1.00 1.00 H new ATOM 894 N GLY A 61 74.932 -9.592 5.516 1.00 1.00 N ATOM 895 CA GLY A 61 75.399 -9.146 6.859 1.00 1.00 C ATOM 896 C GLY A 61 74.246 -8.485 7.616 1.00 1.00 C ATOM 897 O GLY A 61 74.404 -8.039 8.734 1.00 1.00 O ATOM 0 H GLY A 61 74.045 -9.193 5.208 1.00 1.00 H new ATOM 0 HA2 GLY A 61 75.776 -9.998 7.424 1.00 1.00 H new ATOM 0 HA3 GLY A 61 76.226 -8.444 6.752 1.00 1.00 H new ATOM 901 N THR A 62 73.088 -8.415 7.015 1.00 1.00 N ATOM 902 CA THR A 62 71.926 -7.779 7.702 1.00 1.00 C ATOM 903 C THR A 62 72.342 -6.417 8.259 1.00 1.00 C ATOM 904 O THR A 62 71.597 -5.775 8.973 1.00 1.00 O ATOM 905 CB THR A 62 71.448 -8.678 8.846 1.00 1.00 C ATOM 906 OG1 THR A 62 72.568 -9.111 9.605 1.00 1.00 O ATOM 907 CG2 THR A 62 70.717 -9.893 8.272 1.00 1.00 C ATOM 0 H THR A 62 72.896 -8.771 6.078 1.00 1.00 H new ATOM 0 HA THR A 62 71.114 -7.644 6.987 1.00 1.00 H new ATOM 0 HB THR A 62 70.768 -8.119 9.488 1.00 1.00 H new ATOM 0 HG1 THR A 62 73.206 -8.373 9.697 1.00 1.00 H new ATOM 0 HG21 THR A 62 70.377 -10.532 9.087 1.00 1.00 H new ATOM 0 HG22 THR A 62 69.858 -9.559 7.690 1.00 1.00 H new ATOM 0 HG23 THR A 62 71.394 -10.455 7.629 1.00 1.00 H new ATOM 915 N ASP A 63 73.519 -5.962 7.931 1.00 1.00 N ATOM 916 CA ASP A 63 73.964 -4.637 8.435 1.00 1.00 C ATOM 917 C ASP A 63 73.127 -3.555 7.755 1.00 1.00 C ATOM 918 O ASP A 63 73.200 -2.391 8.093 1.00 1.00 O ATOM 919 CB ASP A 63 75.444 -4.428 8.105 1.00 1.00 C ATOM 920 CG ASP A 63 75.698 -4.794 6.641 1.00 1.00 C ATOM 921 OD1 ASP A 63 75.541 -5.956 6.306 1.00 1.00 O ATOM 922 OD2 ASP A 63 76.044 -3.905 5.881 1.00 1.00 O ATOM 0 H ASP A 63 74.189 -6.450 7.337 1.00 1.00 H new ATOM 0 HA ASP A 63 73.835 -4.586 9.516 1.00 1.00 H new ATOM 0 HB2 ASP A 63 75.725 -3.390 8.285 1.00 1.00 H new ATOM 0 HB3 ASP A 63 76.063 -5.044 8.757 1.00 1.00 H new ATOM 927 N ILE A 64 72.326 -3.942 6.795 1.00 1.00 N ATOM 928 CA ILE A 64 71.469 -2.952 6.079 1.00 1.00 C ATOM 929 C ILE A 64 70.009 -3.377 6.178 1.00 1.00 C ATOM 930 O ILE A 64 69.368 -3.642 5.182 1.00 1.00 O ATOM 931 CB ILE A 64 71.877 -2.888 4.602 1.00 1.00 C ATOM 932 CG1 ILE A 64 71.022 -1.842 3.883 1.00 1.00 C ATOM 933 CG2 ILE A 64 71.660 -4.256 3.952 1.00 1.00 C ATOM 934 CD1 ILE A 64 71.045 -2.111 2.377 1.00 1.00 C ATOM 0 H ILE A 64 72.229 -4.906 6.476 1.00 1.00 H new ATOM 0 HA ILE A 64 71.597 -1.970 6.535 1.00 1.00 H new ATOM 0 HB ILE A 64 72.929 -2.613 4.528 1.00 1.00 H new ATOM 0 HG12 ILE A 64 69.998 -1.877 4.254 1.00 1.00 H new ATOM 0 HG13 ILE A 64 71.402 -0.842 4.090 1.00 1.00 H new ATOM 0 HG21 ILE A 64 71.950 -4.210 2.902 1.00 1.00 H new ATOM 0 HG22 ILE A 64 72.267 -5.003 4.464 1.00 1.00 H new ATOM 0 HG23 ILE A 64 70.608 -4.531 4.026 1.00 1.00 H new ATOM 0 HD11 ILE A 64 70.436 -1.366 1.865 1.00 1.00 H new ATOM 0 HD12 ILE A 64 72.071 -2.054 2.013 1.00 1.00 H new ATOM 0 HD13 ILE A 64 70.645 -3.105 2.179 1.00 1.00 H new ATOM 946 N THR A 65 69.457 -3.426 7.359 1.00 1.00 N ATOM 947 CA THR A 65 68.022 -3.803 7.455 1.00 1.00 C ATOM 948 C THR A 65 67.301 -3.019 6.364 1.00 1.00 C ATOM 949 O THR A 65 66.400 -3.504 5.711 1.00 1.00 O ATOM 950 CB THR A 65 67.469 -3.418 8.830 1.00 1.00 C ATOM 951 OG1 THR A 65 67.727 -2.043 9.074 1.00 1.00 O ATOM 952 CG2 THR A 65 68.144 -4.265 9.910 1.00 1.00 C ATOM 0 H THR A 65 69.926 -3.226 8.242 1.00 1.00 H new ATOM 0 HA THR A 65 67.884 -4.877 7.331 1.00 1.00 H new ATOM 0 HB THR A 65 66.394 -3.596 8.852 1.00 1.00 H new ATOM 0 HG1 THR A 65 67.372 -1.795 9.953 1.00 1.00 H new ATOM 0 HG21 THR A 65 67.749 -3.990 10.888 1.00 1.00 H new ATOM 0 HG22 THR A 65 67.945 -5.320 9.722 1.00 1.00 H new ATOM 0 HG23 THR A 65 69.220 -4.090 9.890 1.00 1.00 H new ATOM 960 N VAL A 66 67.751 -1.810 6.148 1.00 1.00 N ATOM 961 CA VAL A 66 67.180 -0.939 5.084 1.00 1.00 C ATOM 962 C VAL A 66 68.194 0.168 4.777 1.00 1.00 C ATOM 963 O VAL A 66 68.562 0.397 3.643 1.00 1.00 O ATOM 964 CB VAL A 66 65.868 -0.288 5.551 1.00 1.00 C ATOM 965 CG1 VAL A 66 65.174 0.376 4.360 1.00 1.00 C ATOM 966 CG2 VAL A 66 64.950 -1.361 6.141 1.00 1.00 C ATOM 0 H VAL A 66 68.509 -1.382 6.679 1.00 1.00 H new ATOM 0 HA VAL A 66 66.973 -1.544 4.201 1.00 1.00 H new ATOM 0 HB VAL A 66 66.086 0.464 6.310 1.00 1.00 H new ATOM 0 HG11 VAL A 66 64.244 0.837 4.692 1.00 1.00 H new ATOM 0 HG12 VAL A 66 65.827 1.139 3.938 1.00 1.00 H new ATOM 0 HG13 VAL A 66 64.956 -0.375 3.601 1.00 1.00 H new ATOM 0 HG21 VAL A 66 64.019 -0.901 6.473 1.00 1.00 H new ATOM 0 HG22 VAL A 66 64.733 -2.112 5.381 1.00 1.00 H new ATOM 0 HG23 VAL A 66 65.443 -1.835 6.990 1.00 1.00 H new ATOM 976 N ILE A 67 68.643 0.856 5.796 1.00 1.00 N ATOM 977 CA ILE A 67 69.634 1.957 5.603 1.00 1.00 C ATOM 978 C ILE A 67 70.688 1.899 6.712 1.00 1.00 C ATOM 979 O ILE A 67 70.434 2.296 7.832 1.00 1.00 O ATOM 980 CB ILE A 67 68.915 3.307 5.668 1.00 1.00 C ATOM 981 CG1 ILE A 67 67.817 3.350 4.603 1.00 1.00 C ATOM 982 CG2 ILE A 67 69.918 4.433 5.411 1.00 1.00 C ATOM 983 CD1 ILE A 67 67.059 4.675 4.704 1.00 1.00 C ATOM 0 H ILE A 67 68.362 0.700 6.764 1.00 1.00 H new ATOM 0 HA ILE A 67 70.116 1.841 4.632 1.00 1.00 H new ATOM 0 HB ILE A 67 68.471 3.435 6.655 1.00 1.00 H new ATOM 0 HG12 ILE A 67 68.254 3.244 3.610 1.00 1.00 H new ATOM 0 HG13 ILE A 67 67.130 2.515 4.740 1.00 1.00 H new ATOM 0 HG21 ILE A 67 69.406 5.394 5.457 1.00 1.00 H new ATOM 0 HG22 ILE A 67 70.701 4.402 6.168 1.00 1.00 H new ATOM 0 HG23 ILE A 67 70.363 4.306 4.424 1.00 1.00 H new ATOM 0 HD11 ILE A 67 66.277 4.706 3.945 1.00 1.00 H new ATOM 0 HD12 ILE A 67 66.609 4.762 5.693 1.00 1.00 H new ATOM 0 HD13 ILE A 67 67.750 5.503 4.546 1.00 1.00 H new ATOM 995 N CYS A 68 71.867 1.427 6.426 1.00 1.00 N ATOM 996 CA CYS A 68 72.910 1.378 7.492 1.00 1.00 C ATOM 997 C CYS A 68 73.482 2.785 7.706 1.00 1.00 C ATOM 998 O CYS A 68 73.755 3.497 6.761 1.00 1.00 O ATOM 999 CB CYS A 68 74.037 0.425 7.074 1.00 1.00 C ATOM 1000 SG CYS A 68 73.564 -0.442 5.557 1.00 1.00 S ATOM 0 H CYS A 68 72.154 1.076 5.512 1.00 1.00 H new ATOM 0 HA CYS A 68 72.463 1.018 8.419 1.00 1.00 H new ATOM 0 HB2 CYS A 68 74.959 0.984 6.914 1.00 1.00 H new ATOM 0 HB3 CYS A 68 74.234 -0.293 7.870 1.00 1.00 H new ATOM 1005 N PRO A 69 73.668 3.193 8.939 1.00 1.00 N ATOM 1006 CA PRO A 69 74.218 4.540 9.263 1.00 1.00 C ATOM 1007 C PRO A 69 75.342 4.962 8.311 1.00 1.00 C ATOM 1008 O PRO A 69 75.248 5.967 7.635 1.00 1.00 O ATOM 1009 CB PRO A 69 74.752 4.370 10.684 1.00 1.00 C ATOM 1010 CG PRO A 69 73.891 3.313 11.298 1.00 1.00 C ATOM 1011 CD PRO A 69 73.382 2.421 10.159 1.00 1.00 C ATOM 0 HA PRO A 69 73.464 5.321 9.166 1.00 1.00 H new ATOM 0 HB2 PRO A 69 75.800 4.071 10.678 1.00 1.00 H new ATOM 0 HB3 PRO A 69 74.690 5.304 11.243 1.00 1.00 H new ATOM 0 HG2 PRO A 69 74.459 2.727 12.021 1.00 1.00 H new ATOM 0 HG3 PRO A 69 73.057 3.762 11.837 1.00 1.00 H new ATOM 0 HD2 PRO A 69 73.892 1.458 10.149 1.00 1.00 H new ATOM 0 HD3 PRO A 69 72.316 2.216 10.260 1.00 1.00 H new ATOM 1019 N TRP A 70 76.405 4.207 8.253 1.00 1.00 N ATOM 1020 CA TRP A 70 77.526 4.579 7.344 1.00 1.00 C ATOM 1021 C TRP A 70 77.098 4.352 5.893 1.00 1.00 C ATOM 1022 O TRP A 70 77.716 3.606 5.160 1.00 1.00 O ATOM 1023 CB TRP A 70 78.765 3.733 7.662 1.00 1.00 C ATOM 1024 CG TRP A 70 78.352 2.323 7.937 1.00 1.00 C ATOM 1025 CD1 TRP A 70 77.701 1.906 9.047 1.00 1.00 C ATOM 1026 CD2 TRP A 70 78.550 1.139 7.110 1.00 1.00 C ATOM 1027 NE1 TRP A 70 77.486 0.544 8.955 1.00 1.00 N ATOM 1028 CE2 TRP A 70 77.990 0.024 7.781 1.00 1.00 C ATOM 1029 CE3 TRP A 70 79.153 0.925 5.858 1.00 1.00 C ATOM 1030 CZ2 TRP A 70 78.029 -1.258 7.226 1.00 1.00 C ATOM 1031 CZ3 TRP A 70 79.194 -0.360 5.298 1.00 1.00 C ATOM 1032 CH2 TRP A 70 78.634 -1.450 5.979 1.00 1.00 C ATOM 0 H TRP A 70 76.546 3.353 8.793 1.00 1.00 H new ATOM 0 HA TRP A 70 77.774 5.630 7.489 1.00 1.00 H new ATOM 0 HB2 TRP A 70 79.462 3.762 6.825 1.00 1.00 H new ATOM 0 HB3 TRP A 70 79.287 4.145 8.526 1.00 1.00 H new ATOM 0 HD1 TRP A 70 77.398 2.535 9.871 1.00 1.00 H new ATOM 0 HE1 TRP A 70 77.012 -0.010 9.669 1.00 1.00 H new ATOM 0 HE3 TRP A 70 79.588 1.757 5.324 1.00 1.00 H new ATOM 0 HZ2 TRP A 70 77.596 -2.094 7.755 1.00 1.00 H new ATOM 0 HZ3 TRP A 70 79.660 -0.511 4.336 1.00 1.00 H new ATOM 0 HH2 TRP A 70 78.670 -2.437 5.542 1.00 1.00 H new ATOM 1043 N GLU A 71 76.042 4.996 5.476 1.00 1.00 N ATOM 1044 CA GLU A 71 75.562 4.831 4.075 1.00 1.00 C ATOM 1045 C GLU A 71 74.861 6.116 3.638 1.00 1.00 C ATOM 1046 O GLU A 71 74.478 6.275 2.496 1.00 1.00 O ATOM 1047 CB GLU A 71 74.586 3.647 4.012 1.00 1.00 C ATOM 1048 CG GLU A 71 73.166 4.132 4.310 1.00 1.00 C ATOM 1049 CD GLU A 71 72.521 4.647 3.022 1.00 1.00 C ATOM 1050 OE1 GLU A 71 72.473 3.893 2.064 1.00 1.00 O ATOM 1051 OE2 GLU A 71 72.087 5.787 3.015 1.00 1.00 O ATOM 0 H GLU A 71 75.488 5.633 6.049 1.00 1.00 H new ATOM 0 HA GLU A 71 76.402 4.634 3.408 1.00 1.00 H new ATOM 0 HB2 GLU A 71 74.623 3.185 3.025 1.00 1.00 H new ATOM 0 HB3 GLU A 71 74.879 2.884 4.733 1.00 1.00 H new ATOM 0 HG2 GLU A 71 72.572 3.318 4.726 1.00 1.00 H new ATOM 0 HG3 GLU A 71 73.191 4.924 5.059 1.00 1.00 H new ATOM 1058 N ALA A 72 74.688 7.032 4.548 1.00 1.00 N ATOM 1059 CA ALA A 72 74.008 8.308 4.204 1.00 1.00 C ATOM 1060 C ALA A 72 74.745 8.980 3.044 1.00 1.00 C ATOM 1061 O ALA A 72 74.294 9.967 2.499 1.00 1.00 O ATOM 1062 CB ALA A 72 74.016 9.226 5.428 1.00 1.00 C ATOM 0 H ALA A 72 74.990 6.950 5.519 1.00 1.00 H new ATOM 0 HA ALA A 72 72.978 8.111 3.906 1.00 1.00 H new ATOM 0 HB1 ALA A 72 73.519 10.164 5.182 1.00 1.00 H new ATOM 0 HB2 ALA A 72 73.490 8.741 6.250 1.00 1.00 H new ATOM 0 HB3 ALA A 72 75.045 9.428 5.725 1.00 1.00 H new ATOM 1068 N CYS A 73 75.872 8.447 2.654 1.00 1.00 N ATOM 1069 CA CYS A 73 76.628 9.053 1.522 1.00 1.00 C ATOM 1070 C CYS A 73 75.846 8.850 0.222 1.00 1.00 C ATOM 1071 O CYS A 73 76.407 8.530 -0.807 1.00 1.00 O ATOM 1072 CB CYS A 73 77.998 8.381 1.401 1.00 1.00 C ATOM 1073 SG CYS A 73 77.802 6.734 0.676 1.00 1.00 S ATOM 0 H CYS A 73 76.300 7.620 3.070 1.00 1.00 H new ATOM 0 HA CYS A 73 76.762 10.119 1.706 1.00 1.00 H new ATOM 0 HB2 CYS A 73 78.658 8.987 0.780 1.00 1.00 H new ATOM 0 HB3 CYS A 73 78.465 8.304 2.383 1.00 1.00 H new ATOM 1078 N ASN A 74 74.553 9.028 0.260 1.00 1.00 N ATOM 1079 CA ASN A 74 73.737 8.841 -0.973 1.00 1.00 C ATOM 1080 C ASN A 74 74.392 9.585 -2.138 1.00 1.00 C ATOM 1081 O ASN A 74 74.043 9.392 -3.286 1.00 1.00 O ATOM 1082 CB ASN A 74 72.329 9.392 -0.740 1.00 1.00 C ATOM 1083 CG ASN A 74 71.588 8.495 0.253 1.00 1.00 C ATOM 1084 OD1 ASN A 74 71.128 8.954 1.279 1.00 1.00 O ATOM 1085 ND2 ASN A 74 71.452 7.224 -0.011 1.00 1.00 N ATOM 0 H ASN A 74 74.027 9.295 1.092 1.00 1.00 H new ATOM 0 HA ASN A 74 73.677 7.779 -1.211 1.00 1.00 H new ATOM 0 HB2 ASN A 74 72.385 10.410 -0.355 1.00 1.00 H new ATOM 0 HB3 ASN A 74 71.784 9.437 -1.683 1.00 1.00 H new ATOM 0 HD21 ASN A 74 70.960 6.617 0.644 1.00 1.00 H new ATOM 0 HD22 ASN A 74 71.838 6.838 -0.873 1.00 1.00 H new ATOM 1092 N HIS A 75 75.341 10.434 -1.852 1.00 1.00 N ATOM 1093 CA HIS A 75 76.019 11.188 -2.942 1.00 1.00 C ATOM 1094 C HIS A 75 76.553 10.207 -3.989 1.00 1.00 C ATOM 1095 O HIS A 75 76.250 10.310 -5.161 1.00 1.00 O ATOM 1096 CB HIS A 75 77.182 11.992 -2.355 1.00 1.00 C ATOM 1097 CG HIS A 75 77.960 12.637 -3.469 1.00 1.00 C ATOM 1098 ND1 HIS A 75 79.296 12.982 -3.334 1.00 1.00 N ATOM 1099 CD2 HIS A 75 77.603 13.005 -4.744 1.00 1.00 C ATOM 1100 CE1 HIS A 75 79.694 13.532 -4.495 1.00 1.00 C ATOM 1101 NE2 HIS A 75 78.701 13.570 -5.386 1.00 1.00 N ATOM 0 H HIS A 75 75.676 10.637 -0.910 1.00 1.00 H new ATOM 0 HA HIS A 75 75.307 11.866 -3.413 1.00 1.00 H new ATOM 0 HB2 HIS A 75 76.804 12.754 -1.673 1.00 1.00 H new ATOM 0 HB3 HIS A 75 77.833 11.339 -1.774 1.00 1.00 H new ATOM 0 HD2 HIS A 75 76.623 12.876 -5.180 1.00 1.00 H new ATOM 0 HE1 HIS A 75 80.693 13.897 -4.683 1.00 1.00 H new ATOM 0 HE2 HIS A 75 78.739 13.936 -6.337 1.00 1.00 H new ATOM 1110 N CYS A 76 77.347 9.257 -3.577 1.00 1.00 N ATOM 1111 CA CYS A 76 77.901 8.274 -4.551 1.00 1.00 C ATOM 1112 C CYS A 76 78.482 9.022 -5.752 1.00 1.00 C ATOM 1113 O CYS A 76 77.864 9.120 -6.794 1.00 1.00 O ATOM 1114 CB CYS A 76 76.785 7.336 -5.020 1.00 1.00 C ATOM 1115 SG CYS A 76 76.585 5.992 -3.824 1.00 1.00 S ATOM 0 H CYS A 76 77.636 9.119 -2.609 1.00 1.00 H new ATOM 0 HA CYS A 76 78.687 7.689 -4.073 1.00 1.00 H new ATOM 0 HB2 CYS A 76 75.851 7.888 -5.123 1.00 1.00 H new ATOM 0 HB3 CYS A 76 77.025 6.930 -6.003 1.00 1.00 H new ATOM 1120 N GLU A 77 79.667 9.552 -5.614 1.00 1.00 N ATOM 1121 CA GLU A 77 80.292 10.296 -6.744 1.00 1.00 C ATOM 1122 C GLU A 77 80.266 9.432 -8.006 1.00 1.00 C ATOM 1123 O GLU A 77 79.885 8.279 -7.974 1.00 1.00 O ATOM 1124 CB GLU A 77 81.742 10.634 -6.389 1.00 1.00 C ATOM 1125 CG GLU A 77 82.496 9.349 -6.043 1.00 1.00 C ATOM 1126 CD GLU A 77 83.857 9.702 -5.439 1.00 1.00 C ATOM 1127 OE1 GLU A 77 84.745 10.058 -6.197 1.00 1.00 O ATOM 1128 OE2 GLU A 77 83.989 9.610 -4.230 1.00 1.00 O ATOM 0 H GLU A 77 80.230 9.501 -4.765 1.00 1.00 H new ATOM 0 HA GLU A 77 79.735 11.215 -6.924 1.00 1.00 H new ATOM 0 HB2 GLU A 77 82.225 11.137 -7.227 1.00 1.00 H new ATOM 0 HB3 GLU A 77 81.770 11.323 -5.545 1.00 1.00 H new ATOM 0 HG2 GLU A 77 81.917 8.754 -5.337 1.00 1.00 H new ATOM 0 HG3 GLU A 77 82.630 8.741 -6.938 1.00 1.00 H new ATOM 1135 N LEU A 78 80.669 9.983 -9.120 1.00 1.00 N ATOM 1136 CA LEU A 78 80.668 9.196 -10.386 1.00 1.00 C ATOM 1137 C LEU A 78 81.583 7.978 -10.231 1.00 1.00 C ATOM 1138 O LEU A 78 82.515 7.984 -9.453 1.00 1.00 O ATOM 1139 CB LEU A 78 81.178 10.074 -11.532 1.00 1.00 C ATOM 1140 CG LEU A 78 80.070 11.030 -11.977 1.00 1.00 C ATOM 1141 CD1 LEU A 78 79.685 11.944 -10.812 1.00 1.00 C ATOM 1142 CD2 LEU A 78 80.570 11.880 -13.146 1.00 1.00 C ATOM 0 H LEU A 78 80.999 10.944 -9.207 1.00 1.00 H new ATOM 0 HA LEU A 78 79.654 8.863 -10.606 1.00 1.00 H new ATOM 0 HB2 LEU A 78 82.052 10.639 -11.209 1.00 1.00 H new ATOM 0 HB3 LEU A 78 81.493 9.451 -12.369 1.00 1.00 H new ATOM 0 HG LEU A 78 79.199 10.455 -12.291 1.00 1.00 H new ATOM 0 HD11 LEU A 78 78.895 12.625 -11.129 1.00 1.00 H new ATOM 0 HD12 LEU A 78 79.329 11.340 -9.978 1.00 1.00 H new ATOM 0 HD13 LEU A 78 80.556 12.519 -10.498 1.00 1.00 H new ATOM 0 HD21 LEU A 78 79.781 12.562 -13.464 1.00 1.00 H new ATOM 0 HD22 LEU A 78 81.441 12.455 -12.832 1.00 1.00 H new ATOM 0 HD23 LEU A 78 80.845 11.230 -13.977 1.00 1.00 H new ATOM 1154 N HIS A 79 81.323 6.932 -10.968 1.00 1.00 N ATOM 1155 CA HIS A 79 82.175 5.712 -10.867 1.00 1.00 C ATOM 1156 C HIS A 79 83.275 5.767 -11.932 1.00 1.00 C ATOM 1157 O HIS A 79 83.851 4.761 -12.295 1.00 1.00 O ATOM 1158 CB HIS A 79 81.307 4.470 -11.089 1.00 1.00 C ATOM 1159 CG HIS A 79 80.271 4.765 -12.138 1.00 1.00 C ATOM 1160 ND1 HIS A 79 79.111 5.470 -11.854 1.00 1.00 N ATOM 1161 CD2 HIS A 79 80.205 4.456 -13.476 1.00 1.00 C ATOM 1162 CE1 HIS A 79 78.401 5.564 -12.993 1.00 1.00 C ATOM 1163 NE2 HIS A 79 79.024 4.963 -14.009 1.00 1.00 N ATOM 0 H HIS A 79 80.556 6.870 -11.637 1.00 1.00 H new ATOM 0 HA HIS A 79 82.632 5.665 -9.879 1.00 1.00 H new ATOM 0 HB2 HIS A 79 81.928 3.630 -11.401 1.00 1.00 H new ATOM 0 HB3 HIS A 79 80.823 4.179 -10.156 1.00 1.00 H new ATOM 0 HD2 HIS A 79 80.953 3.906 -14.027 1.00 1.00 H new ATOM 0 HE1 HIS A 79 77.447 6.063 -13.075 1.00 1.00 H new ATOM 0 HE2 HIS A 79 78.702 4.891 -14.974 1.00 1.00 H new ATOM 1172 N GLU A 80 83.568 6.934 -12.436 1.00 1.00 N ATOM 1173 CA GLU A 80 84.629 7.054 -13.478 1.00 1.00 C ATOM 1174 C GLU A 80 86.001 6.829 -12.839 1.00 1.00 C ATOM 1175 O GLU A 80 87.022 6.921 -13.491 1.00 1.00 O ATOM 1176 CB GLU A 80 84.581 8.454 -14.093 1.00 1.00 C ATOM 1177 CG GLU A 80 84.943 9.492 -13.029 1.00 1.00 C ATOM 1178 CD GLU A 80 84.600 10.892 -13.543 1.00 1.00 C ATOM 1179 OE1 GLU A 80 84.354 11.021 -14.731 1.00 1.00 O ATOM 1180 OE2 GLU A 80 84.589 11.810 -12.741 1.00 1.00 O ATOM 0 H GLU A 80 83.119 7.811 -12.172 1.00 1.00 H new ATOM 0 HA GLU A 80 84.462 6.307 -14.254 1.00 1.00 H new ATOM 0 HB2 GLU A 80 85.276 8.519 -14.930 1.00 1.00 H new ATOM 0 HB3 GLU A 80 83.585 8.655 -14.488 1.00 1.00 H new ATOM 0 HG2 GLU A 80 84.398 9.288 -12.107 1.00 1.00 H new ATOM 0 HG3 GLU A 80 86.005 9.430 -12.792 1.00 1.00 H new ATOM 1187 N LEU A 81 86.032 6.538 -11.567 1.00 1.00 N ATOM 1188 CA LEU A 81 87.337 6.311 -10.881 1.00 1.00 C ATOM 1189 C LEU A 81 87.625 4.810 -10.814 1.00 1.00 C ATOM 1190 O LEU A 81 88.514 4.369 -10.112 1.00 1.00 O ATOM 1191 CB LEU A 81 87.267 6.879 -9.461 1.00 1.00 C ATOM 1192 CG LEU A 81 86.804 8.336 -9.514 1.00 1.00 C ATOM 1193 CD1 LEU A 81 86.611 8.864 -8.091 1.00 1.00 C ATOM 1194 CD2 LEU A 81 87.860 9.180 -10.231 1.00 1.00 C ATOM 0 H LEU A 81 85.209 6.447 -10.972 1.00 1.00 H new ATOM 0 HA LEU A 81 88.132 6.808 -11.436 1.00 1.00 H new ATOM 0 HB2 LEU A 81 86.578 6.290 -8.856 1.00 1.00 H new ATOM 0 HB3 LEU A 81 88.245 6.815 -8.984 1.00 1.00 H new ATOM 0 HG LEU A 81 85.860 8.397 -10.055 1.00 1.00 H new ATOM 0 HD11 LEU A 81 86.281 9.902 -8.130 1.00 1.00 H new ATOM 0 HD12 LEU A 81 85.859 8.263 -7.579 1.00 1.00 H new ATOM 0 HD13 LEU A 81 87.555 8.803 -7.549 1.00 1.00 H new ATOM 0 HD21 LEU A 81 87.531 10.218 -10.269 1.00 1.00 H new ATOM 0 HD22 LEU A 81 88.804 9.118 -9.690 1.00 1.00 H new ATOM 0 HD23 LEU A 81 87.998 8.805 -11.245 1.00 1.00 H new ATOM 1206 N ALA A 82 86.880 4.021 -11.538 1.00 1.00 N ATOM 1207 CA ALA A 82 87.110 2.548 -11.514 1.00 1.00 C ATOM 1208 C ALA A 82 88.477 2.232 -12.125 1.00 1.00 C ATOM 1209 O ALA A 82 88.913 2.870 -13.062 1.00 1.00 O ATOM 1210 CB ALA A 82 86.015 1.848 -12.321 1.00 1.00 C ATOM 0 H ALA A 82 86.122 4.332 -12.145 1.00 1.00 H new ATOM 0 HA ALA A 82 87.085 2.194 -10.483 1.00 1.00 H new ATOM 0 HB1 ALA A 82 86.183 0.771 -12.304 1.00 1.00 H new ATOM 0 HB2 ALA A 82 85.042 2.071 -11.884 1.00 1.00 H new ATOM 0 HB3 ALA A 82 86.039 2.203 -13.351 1.00 1.00 H new ATOM 1216 N GLN A 83 89.157 1.250 -11.597 1.00 1.00 N ATOM 1217 CA GLN A 83 90.497 0.890 -12.140 1.00 1.00 C ATOM 1218 C GLN A 83 90.856 -0.533 -11.704 1.00 1.00 C ATOM 1219 O GLN A 83 91.960 -0.801 -11.275 1.00 1.00 O ATOM 1220 CB GLN A 83 91.542 1.869 -11.599 1.00 1.00 C ATOM 1221 CG GLN A 83 92.810 1.789 -12.452 1.00 1.00 C ATOM 1222 CD GLN A 83 93.920 2.611 -11.795 1.00 1.00 C ATOM 1223 OE1 GLN A 83 93.651 3.557 -11.081 1.00 1.00 O ATOM 1224 NE2 GLN A 83 95.167 2.288 -12.007 1.00 1.00 N ATOM 0 H GLN A 83 88.841 0.681 -10.812 1.00 1.00 H new ATOM 0 HA GLN A 83 90.478 0.942 -13.229 1.00 1.00 H new ATOM 0 HB2 GLN A 83 91.146 2.884 -11.613 1.00 1.00 H new ATOM 0 HB3 GLN A 83 91.774 1.632 -10.561 1.00 1.00 H new ATOM 0 HG2 GLN A 83 93.125 0.751 -12.557 1.00 1.00 H new ATOM 0 HG3 GLN A 83 92.610 2.165 -13.456 1.00 1.00 H new ATOM 0 HE21 GLN A 83 95.393 1.494 -12.606 1.00 1.00 H new ATOM 0 HE22 GLN A 83 95.915 2.829 -11.573 1.00 1.00 H new ATOM 1233 N TYR A 84 89.929 -1.448 -11.804 1.00 1.00 N ATOM 1234 CA TYR A 84 90.219 -2.850 -11.388 1.00 1.00 C ATOM 1235 C TYR A 84 90.880 -2.838 -10.008 1.00 1.00 C ATOM 1236 O TYR A 84 91.746 -3.638 -9.714 1.00 1.00 O ATOM 1237 CB TYR A 84 91.159 -3.504 -12.408 1.00 1.00 C ATOM 1238 CG TYR A 84 90.349 -4.063 -13.553 1.00 1.00 C ATOM 1239 CD1 TYR A 84 89.697 -5.294 -13.413 1.00 1.00 C ATOM 1240 CD2 TYR A 84 90.250 -3.351 -14.754 1.00 1.00 C ATOM 1241 CE1 TYR A 84 88.945 -5.813 -14.475 1.00 1.00 C ATOM 1242 CE2 TYR A 84 89.498 -3.869 -15.815 1.00 1.00 C ATOM 1243 CZ TYR A 84 88.846 -5.100 -15.676 1.00 1.00 C ATOM 1244 OH TYR A 84 88.106 -5.611 -16.722 1.00 1.00 O ATOM 0 H TYR A 84 88.985 -1.285 -12.155 1.00 1.00 H new ATOM 0 HA TYR A 84 89.291 -3.419 -11.342 1.00 1.00 H new ATOM 0 HB2 TYR A 84 91.876 -2.772 -12.779 1.00 1.00 H new ATOM 0 HB3 TYR A 84 91.733 -4.299 -11.932 1.00 1.00 H new ATOM 0 HD1 TYR A 84 89.774 -5.843 -12.486 1.00 1.00 H new ATOM 0 HD2 TYR A 84 90.754 -2.402 -14.862 1.00 1.00 H new ATOM 0 HE1 TYR A 84 88.442 -6.763 -14.367 1.00 1.00 H new ATOM 0 HE2 TYR A 84 89.421 -3.319 -16.741 1.00 1.00 H new ATOM 0 HH TYR A 84 88.140 -4.991 -17.480 1.00 1.00 H new ATOM 1254 N GLY A 85 90.474 -1.934 -9.157 1.00 1.00 N ATOM 1255 CA GLY A 85 91.075 -1.865 -7.793 1.00 1.00 C ATOM 1256 C GLY A 85 90.003 -1.455 -6.781 1.00 1.00 C ATOM 1257 O GLY A 85 90.276 -1.287 -5.609 1.00 1.00 O ATOM 0 H GLY A 85 89.751 -1.240 -9.348 1.00 1.00 H new ATOM 0 HA2 GLY A 85 91.496 -2.833 -7.520 1.00 1.00 H new ATOM 0 HA3 GLY A 85 91.895 -1.146 -7.781 1.00 1.00 H new ATOM 1261 N ILE A 86 88.783 -1.295 -7.226 1.00 1.00 N ATOM 1262 CA ILE A 86 87.687 -0.899 -6.293 1.00 1.00 C ATOM 1263 C ILE A 86 86.776 -2.103 -6.043 1.00 1.00 C ATOM 1264 O ILE A 86 87.129 -3.026 -5.336 1.00 1.00 O ATOM 1265 CB ILE A 86 86.870 0.237 -6.916 1.00 1.00 C ATOM 1266 CG1 ILE A 86 86.643 -0.055 -8.401 1.00 1.00 C ATOM 1267 CG2 ILE A 86 87.632 1.555 -6.768 1.00 1.00 C ATOM 1268 CD1 ILE A 86 85.399 0.693 -8.884 1.00 1.00 C ATOM 0 H ILE A 86 88.499 -1.422 -8.197 1.00 1.00 H new ATOM 0 HA ILE A 86 88.116 -0.562 -5.349 1.00 1.00 H new ATOM 0 HB ILE A 86 85.909 0.314 -6.408 1.00 1.00 H new ATOM 0 HG12 ILE A 86 87.513 0.253 -8.980 1.00 1.00 H new ATOM 0 HG13 ILE A 86 86.519 -1.127 -8.557 1.00 1.00 H new ATOM 0 HG21 ILE A 86 87.050 2.363 -7.211 1.00 1.00 H new ATOM 0 HG22 ILE A 86 87.796 1.764 -5.711 1.00 1.00 H new ATOM 0 HG23 ILE A 86 88.593 1.479 -7.276 1.00 1.00 H new ATOM 0 HD11 ILE A 86 85.237 0.485 -9.942 1.00 1.00 H new ATOM 0 HD12 ILE A 86 84.531 0.363 -8.313 1.00 1.00 H new ATOM 0 HD13 ILE A 86 85.541 1.764 -8.742 1.00 1.00 H new ATOM 1280 N CYS A 87 85.607 -2.104 -6.622 1.00 1.00 N ATOM 1281 CA CYS A 87 84.677 -3.252 -6.421 1.00 1.00 C ATOM 1282 C CYS A 87 85.083 -4.400 -7.349 1.00 1.00 C ATOM 1283 CB CYS A 87 83.244 -2.812 -6.741 1.00 1.00 C ATOM 1284 SG CYS A 87 82.352 -2.495 -5.198 1.00 1.00 S ATOM 0 H CYS A 87 85.255 -1.360 -7.225 1.00 1.00 H new ATOM 0 HA CYS A 87 84.727 -3.587 -5.385 1.00 1.00 H new ATOM 0 HB2 CYS A 87 83.257 -1.913 -7.357 1.00 1.00 H new ATOM 0 HB3 CYS A 87 82.734 -3.585 -7.316 1.00 1.00 H new TER 1289 CYS A 87 HETATM 1290 C1C RCY A 110 66.468 -3.866 -6.011 1.00 1.00 C HETATM 1291 O1G RCY A 110 65.990 -2.234 -8.072 1.00 1.00 O HETATM 1292 O1H RCY A 110 61.913 -4.354 -9.161 1.00 1.00 O HETATM 1293 O1J RCY A 110 66.382 -6.492 -4.540 1.00 1.00 O HETATM 1294 C1L RCY A 110 64.335 -1.875 -9.838 1.00 1.00 C HETATM 1295 C1M RCY A 110 63.650 -5.960 -7.178 1.00 1.00 C HETATM 1296 C1P RCY A 110 64.945 -2.581 -8.620 1.00 1.00 C HETATM 1297 C1Q RCY A 110 63.011 -3.805 -9.244 1.00 1.00 C HETATM 1298 N1R RCY A 110 64.092 -3.766 -8.171 1.00 1.00 N HETATM 1299 C1S RCY A 110 63.539 -3.037 -10.442 1.00 1.00 C HETATM 1300 C1U RCY A 110 64.268 -4.684 -6.960 1.00 1.00 C HETATM 1301 C1V RCY A 110 66.452 -5.504 -7.945 1.00 1.00 C HETATM 1302 N1V RCY A 110 65.559 -6.179 -5.705 1.00 1.00 N HETATM 1303 C1W RCY A 110 64.334 -6.937 -6.213 1.00 1.00 C HETATM 1304 C1X RCY A 110 65.731 -5.026 -6.683 1.00 1.00 C HETATM 1305 C1Y RCY A 110 64.760 -8.211 -6.949 1.00 1.00 C HETATM 1306 C1Z RCY A 110 63.428 -7.276 -5.030 1.00 1.00 C HETATM 0 H1ZB RCY A 110 63.185 -6.364 -4.485 1.00 1.00 H new HETATM 0 H1ZA RCY A 110 62.510 -7.736 -5.395 1.00 1.00 H new HETATM 0 H1YB RCY A 110 63.882 -8.694 -7.378 1.00 1.00 H new HETATM 0 H1YA RCY A 110 65.458 -7.955 -7.746 1.00 1.00 H new HETATM 0 H1VB RCY A 110 66.519 -4.683 -8.659 1.00 1.00 H new HETATM 0 H1VA RCY A 110 67.455 -5.842 -7.685 1.00 1.00 H new HETATM 0 H1MA RCY A 110 62.578 -5.911 -6.987 1.00 1.00 H new HETATM 0 H1LA RCY A 110 63.700 -1.034 -9.559 1.00 1.00 H new HETATM 0 H1CB RCY A 110 66.438 -2.991 -6.660 1.00 1.00 H new HETATM 0 H1CA RCY A 110 65.986 -3.630 -5.062 1.00 1.00 H new HETATM 0 H1Z RCY A 110 63.942 -7.970 -4.365 1.00 1.00 H new HETATM 0 H1Y RCY A 110 65.243 -8.892 -6.248 1.00 1.00 H new HETATM 0 H1V RCY A 110 65.896 -6.328 -8.392 1.00 1.00 H new HETATM 0 H1U RCY A 110 63.822 -4.128 -6.135 1.00 1.00 H new HETATM 0 H1S RCY A 110 64.171 -3.666 -11.069 1.00 1.00 H new HETATM 0 H1M RCY A 110 63.776 -6.282 -8.212 1.00 1.00 H new HETATM 0 H1L RCY A 110 65.093 -1.489 -10.520 1.00 1.00 H new HETATM 0 H1C RCY A 110 67.505 -4.149 -5.831 1.00 1.00 H new HETATM 1309 C1C RCY A 121 67.077 3.823 0.909 1.00 1.00 C HETATM 1310 O1G RCY A 121 64.164 7.773 0.794 1.00 1.00 O HETATM 1311 O1H RCY A 121 66.212 5.213 -2.606 1.00 1.00 O HETATM 1312 O1J RCY A 121 65.558 1.272 1.415 1.00 1.00 O HETATM 1313 C1L RCY A 121 65.255 8.359 -1.316 1.00 1.00 C HETATM 1314 C1M RCY A 121 63.566 4.109 -0.226 1.00 1.00 C HETATM 1315 C1P RCY A 121 64.773 7.410 -0.211 1.00 1.00 C HETATM 1316 C1Q RCY A 121 65.966 6.100 -1.789 1.00 1.00 C HETATM 1317 N1R RCY A 121 65.144 5.959 -0.514 1.00 1.00 N HETATM 1318 C1S RCY A 121 66.430 7.543 -1.868 1.00 1.00 C HETATM 1319 C1U RCY A 121 64.788 4.687 0.257 1.00 1.00 C HETATM 1320 C1V RCY A 121 66.151 3.344 -1.402 1.00 1.00 C HETATM 1321 N1V RCY A 121 65.041 2.390 0.631 1.00 1.00 N HETATM 1322 C1W RCY A 121 63.600 2.632 0.187 1.00 1.00 C HETATM 1323 C1X RCY A 121 65.819 3.574 0.074 1.00 1.00 C HETATM 1324 C1Y RCY A 121 63.248 1.733 -1.002 1.00 1.00 C HETATM 1325 C1Z RCY A 121 62.661 2.362 1.363 1.00 1.00 C HETATM 0 H1YA RCY A 121 63.968 1.892 -1.804 1.00 1.00 H new HETATM 0 H1VB RCY A 121 66.658 4.222 -1.802 1.00 1.00 H new HETATM 0 H1VA RCY A 121 66.802 2.475 -1.497 1.00 1.00 H new HETATM 0 H1MA RCY A 121 62.700 4.614 0.203 1.00 1.00 H new HETATM 0 H1LA RCY A 121 64.488 8.548 -2.068 1.00 1.00 H new HETATM 0 H1CB RCY A 121 67.534 4.766 0.607 1.00 1.00 H new HETATM 0 H1CA RCY A 121 66.809 3.871 1.965 1.00 1.00 H new HETATM 0 H1Y RCY A 121 63.277 0.689 -0.690 1.00 1.00 H new HETATM 0 H1V RCY A 121 65.230 3.171 -1.959 1.00 1.00 H new HETATM 0 H1U RCY A 121 64.727 5.011 1.296 1.00 1.00 H new HETATM 0 H1S RCY A 121 67.334 7.701 -1.279 1.00 1.00 H new HETATM 0 H1M RCY A 121 63.489 4.209 -1.309 1.00 1.00 H new HETATM 0 H1L RCY A 121 65.566 9.329 -0.927 1.00 1.00 H new HETATM 0 H1C RCY A 121 67.785 3.010 0.751 1.00 1.00 H new HETATM 1328 C1C RCY A 130 78.694 10.124 6.810 1.00 1.00 C HETATM 1329 O1G RCY A 130 79.425 6.419 7.548 1.00 1.00 O HETATM 1330 O1H RCY A 130 82.664 9.706 6.546 1.00 1.00 O HETATM 1331 O1J RCY A 130 80.779 12.094 5.895 1.00 1.00 O HETATM 1332 C1L RCY A 130 81.498 7.116 8.645 1.00 1.00 C HETATM 1333 C1M RCY A 130 80.753 8.719 4.076 1.00 1.00 C HETATM 1334 C1P RCY A 130 80.425 7.135 7.549 1.00 1.00 C HETATM 1335 C1Q RCY A 130 82.123 8.658 6.894 1.00 1.00 C HETATM 1336 N1R RCY A 130 80.753 8.153 6.458 1.00 1.00 N HETATM 1337 C1S RCY A 130 82.702 7.623 7.842 1.00 1.00 C HETATM 1338 C1U RCY A 130 79.927 8.568 5.239 1.00 1.00 C HETATM 1339 C1V RCY A 130 78.226 10.203 4.320 1.00 1.00 C HETATM 1340 N1V RCY A 130 80.479 10.842 5.207 1.00 1.00 N HETATM 1341 C1W RCY A 130 81.307 10.148 4.128 1.00 1.00 C HETATM 1342 C1X RCY A 130 79.271 9.938 5.406 1.00 1.00 C HETATM 1343 C1Y RCY A 130 81.122 10.847 2.778 1.00 1.00 C HETATM 1344 C1Z RCY A 130 82.779 10.158 4.543 1.00 1.00 C HETATM 0 H1ZB RCY A 130 82.881 9.710 5.532 1.00 1.00 H new HETATM 0 H1ZA RCY A 130 83.364 9.585 3.823 1.00 1.00 H new HETATM 0 H1YB RCY A 130 81.652 10.291 2.005 1.00 1.00 H new HETATM 0 H1YA RCY A 130 80.061 10.889 2.532 1.00 1.00 H new HETATM 0 H1VB RCY A 130 77.392 9.511 4.441 1.00 1.00 H new HETATM 0 H1MA RCY A 130 81.561 7.988 4.075 1.00 1.00 H new HETATM 0 H1LA RCY A 130 81.251 7.768 9.483 1.00 1.00 H new HETATM 0 H1CB RCY A 130 77.941 9.359 6.998 1.00 1.00 H new HETATM 0 H1Z RCY A 130 83.142 11.185 4.570 1.00 1.00 H new HETATM 0 H1Y RCY A 130 81.521 11.860 2.835 1.00 1.00 H new HETATM 0 H1V RCY A 130 78.677 10.060 3.338 1.00 1.00 H new HETATM 0 H1U RCY A 130 79.184 7.777 5.136 1.00 1.00 H new HETATM 0 H1S RCY A 130 83.184 6.812 7.296 1.00 1.00 H new HETATM 0 H1M RCY A 130 80.176 8.558 3.165 1.00 1.00 H new HETATM 0 H1L RCY A 130 81.659 6.119 9.054 1.00 1.00 H new HETATM 1347 C1C RCY A 138 77.314 -3.842 2.704 1.00 1.00 C HETATM 1348 O1G RCY A 138 75.598 -5.281 5.268 1.00 1.00 O HETATM 1349 O1H RCY A 138 80.063 -5.721 6.740 1.00 1.00 O HETATM 1350 O1J RCY A 138 79.036 -1.440 2.130 1.00 1.00 O HETATM 1351 C1L RCY A 138 76.781 -7.007 6.537 1.00 1.00 C HETATM 1352 C1M RCY A 138 79.507 -3.051 5.577 1.00 1.00 C HETATM 1353 C1P RCY A 138 76.651 -5.698 5.748 1.00 1.00 C HETATM 1354 C1Q RCY A 138 78.946 -5.966 6.289 1.00 1.00 C HETATM 1355 N1R RCY A 138 77.992 -4.975 5.633 1.00 1.00 N HETATM 1356 C1S RCY A 138 78.260 -7.320 6.283 1.00 1.00 C HETATM 1357 C1U RCY A 138 78.307 -3.609 5.021 1.00 1.00 C HETATM 1358 C1V RCY A 138 79.621 -4.771 3.195 1.00 1.00 C HETATM 1359 N1V RCY A 138 79.200 -2.305 3.294 1.00 1.00 N HETATM 1360 C1W RCY A 138 80.017 -2.028 4.556 1.00 1.00 C HETATM 1361 C1X RCY A 138 78.596 -3.683 3.522 1.00 1.00 C HETATM 1362 C1Y RCY A 138 81.509 -2.235 4.284 1.00 1.00 C HETATM 1363 C1Z RCY A 138 79.748 -0.597 5.021 1.00 1.00 C HETATM 0 H1ZA RCY A 138 80.255 -0.421 5.970 1.00 1.00 H new HETATM 0 H1YB RCY A 138 82.068 -2.116 5.212 1.00 1.00 H new HETATM 0 H1YA RCY A 138 81.671 -3.238 3.889 1.00 1.00 H new HETATM 0 H1MA RCY A 138 79.307 -2.576 6.537 1.00 1.00 H new HETATM 0 H1LA RCY A 138 76.557 -6.880 7.596 1.00 1.00 H new HETATM 0 H1CB RCY A 138 76.805 -4.759 3.000 1.00 1.00 H new HETATM 0 H1CA RCY A 138 76.659 -2.989 2.884 1.00 1.00 H new HETATM 0 H1Z RCY A 138 80.122 0.104 4.275 1.00 1.00 H new HETATM 0 H1Y RCY A 138 81.852 -1.499 3.557 1.00 1.00 H new HETATM 0 H1U RCY A 138 77.420 -3.011 5.230 1.00 1.00 H new HETATM 0 H1S RCY A 138 78.399 -7.830 5.330 1.00 1.00 H new HETATM 0 H1M RCY A 138 80.251 -3.827 5.755 1.00 1.00 H new HETATM 0 H1C RCY A 138 77.563 -3.891 1.644 1.00 1.00 H new HETATM 1366 C1C RCY A 150 85.585 -5.317 -4.940 1.00 1.00 C HETATM 1367 O1G RCY A 150 82.885 -7.347 -2.463 1.00 1.00 O HETATM 1368 O1H RCY A 150 83.288 -8.399 -7.049 1.00 1.00 O HETATM 1369 O1J RCY A 150 84.706 -2.439 -4.824 1.00 1.00 O HETATM 1370 C1L RCY A 150 82.957 -9.459 -3.698 1.00 1.00 C HETATM 1371 C1M RCY A 150 81.895 -5.047 -4.857 1.00 1.00 C HETATM 1372 C1P RCY A 150 82.941 -7.933 -3.544 1.00 1.00 C HETATM 1373 C1Q RCY A 150 82.942 -8.403 -5.869 1.00 1.00 C HETATM 1374 N1R RCY A 150 83.004 -7.230 -4.899 1.00 1.00 N HETATM 1375 C1S RCY A 150 82.371 -9.586 -5.108 1.00 1.00 C HETATM 1376 C1U RCY A 150 83.103 -5.736 -5.212 1.00 1.00 C HETATM 1377 C1V RCY A 150 84.073 -5.353 -2.905 1.00 1.00 C HETATM 1378 N1V RCY A 150 83.807 -3.576 -4.649 1.00 1.00 N HETATM 1379 C1W RCY A 150 82.280 -3.573 -4.681 1.00 1.00 C HETATM 1380 C1X RCY A 150 84.184 -5.029 -4.396 1.00 1.00 C HETATM 1381 C1Y RCY A 150 81.719 -3.024 -3.366 1.00 1.00 C HETATM 1382 C1Z RCY A 150 81.806 -2.729 -5.864 1.00 1.00 C HETATM 0 H1YB RCY A 150 80.632 -3.107 -3.371 1.00 1.00 H new HETATM 0 H1YA RCY A 150 82.123 -3.597 -2.531 1.00 1.00 H new HETATM 0 H1VB RCY A 150 84.290 -6.409 -2.745 1.00 1.00 H new HETATM 0 H1VA RCY A 150 84.787 -4.747 -2.347 1.00 1.00 H new HETATM 0 H1MA RCY A 150 81.139 -5.162 -5.633 1.00 1.00 H new HETATM 0 H1LA RCY A 150 83.962 -9.875 -3.624 1.00 1.00 H new HETATM 0 H1CB RCY A 150 85.776 -6.390 -4.904 1.00 1.00 H new HETATM 0 H1CA RCY A 150 85.653 -4.971 -5.971 1.00 1.00 H new HETATM 0 H1Z RCY A 150 82.095 -1.690 -5.708 1.00 1.00 H new HETATM 0 H1Y RCY A 150 82.002 -1.977 -3.258 1.00 1.00 H new HETATM 0 H1V RCY A 150 83.063 -5.134 -2.559 1.00 1.00 H new HETATM 0 H1U RCY A 150 83.318 -5.699 -6.280 1.00 1.00 H new HETATM 0 H1S RCY A 150 81.282 -9.556 -5.089 1.00 1.00 H new HETATM 0 H1M RCY A 150 81.472 -5.451 -3.937 1.00 1.00 H new HETATM 0 H1L RCY A 150 82.348 -9.961 -2.946 1.00 1.00 H new HETATM 0 H1C RCY A 150 86.325 -4.796 -4.333 1.00 1.00 H new HETATM 1385 C1C RCY A 160 77.743 -5.402 6.096 1.00 1.00 C HETATM 1386 O1G RCY A 160 76.565 -8.435 6.829 1.00 1.00 O HETATM 1387 O1H RCY A 160 75.199 -8.065 2.323 1.00 1.00 O HETATM 1388 O1J RCY A 160 79.725 -3.994 4.319 1.00 1.00 O HETATM 1389 C1L RCY A 160 74.610 -9.245 5.599 1.00 1.00 C HETATM 1390 C1M RCY A 160 77.912 -6.992 2.759 1.00 1.00 C HETATM 1391 C1P RCY A 160 75.934 -8.490 5.774 1.00 1.00 C HETATM 1392 C1Q RCY A 160 75.195 -8.104 3.553 1.00 1.00 C HETATM 1393 N1R RCY A 160 76.372 -7.814 4.476 1.00 1.00 N HETATM 1394 C1S RCY A 160 74.009 -8.452 4.433 1.00 1.00 C HETATM 1395 C1U RCY A 160 77.658 -7.043 4.170 1.00 1.00 C HETATM 1396 C1V RCY A 160 76.307 -4.904 4.067 1.00 1.00 C HETATM 1397 N1V RCY A 160 78.799 -5.024 3.857 1.00 1.00 N HETATM 1398 C1W RCY A 160 78.838 -5.789 2.535 1.00 1.00 C HETATM 1399 C1X RCY A 160 77.581 -5.575 4.584 1.00 1.00 C HETATM 1400 C1Y RCY A 160 78.315 -4.913 1.393 1.00 1.00 C HETATM 1401 C1Z RCY A 160 80.273 -6.237 2.257 1.00 1.00 C HETATM 0 H1ZB RCY A 160 80.647 -6.809 3.107 1.00 1.00 H new HETATM 0 H1ZA RCY A 160 80.293 -6.861 1.363 1.00 1.00 H new HETATM 0 H1YB RCY A 160 78.270 -5.500 0.476 1.00 1.00 H new HETATM 0 H1YA RCY A 160 77.318 -4.550 1.641 1.00 1.00 H new HETATM 0 H1VA RCY A 160 76.343 -3.837 4.286 1.00 1.00 H new HETATM 0 H1MA RCY A 160 78.381 -7.914 2.414 1.00 1.00 H new HETATM 0 H1Z RCY A 160 80.904 -5.362 2.103 1.00 1.00 H new HETATM 0 H1Y RCY A 160 78.985 -4.065 1.249 1.00 1.00 H new HETATM 0 H1V RCY A 160 76.230 -5.050 2.990 1.00 1.00 H new HETATM 0 H1U RCY A 160 78.430 -7.576 4.724 1.00 1.00 H new HETATM 0 H1S RCY A 160 73.500 -7.555 4.785 1.00 1.00 H new HETATM 0 H1M RCY A 160 76.983 -6.878 2.200 1.00 1.00 H new HETATM 1404 C1C RCY A 168 68.460 1.931 2.459 1.00 1.00 C HETATM 1405 O1G RCY A 168 72.397 3.849 2.981 1.00 1.00 O HETATM 1406 O1H RCY A 168 71.878 -0.843 3.106 1.00 1.00 O HETATM 1407 O1J RCY A 168 67.474 1.151 -0.277 1.00 1.00 O HETATM 1408 C1L RCY A 168 73.321 2.099 4.421 1.00 1.00 C HETATM 1409 C1M RCY A 168 71.261 0.900 0.272 1.00 1.00 C HETATM 1410 C1P RCY A 168 72.448 2.660 3.291 1.00 1.00 C HETATM 1411 C1Q RCY A 168 71.996 0.335 3.439 1.00 1.00 C HETATM 1412 N1R RCY A 168 71.648 1.557 2.599 1.00 1.00 N HETATM 1413 C1S RCY A 168 72.521 0.840 4.771 1.00 1.00 C HETATM 1414 C1U RCY A 168 70.731 1.646 1.377 1.00 1.00 C HETATM 1415 C1V RCY A 168 69.471 -0.381 2.222 1.00 1.00 C HETATM 1416 N1V RCY A 168 68.841 0.941 0.190 1.00 1.00 N HETATM 1417 C1W RCY A 168 70.071 0.594 -0.646 1.00 1.00 C HETATM 1418 C1X RCY A 168 69.358 1.021 1.620 1.00 1.00 C HETATM 1419 C1Y RCY A 168 70.055 -0.888 -1.032 1.00 1.00 C HETATM 1420 C1Z RCY A 168 70.092 1.476 -1.895 1.00 1.00 C HETATM 0 H1ZB RCY A 168 70.042 2.524 -1.601 1.00 1.00 H new HETATM 0 H1ZA RCY A 168 71.013 1.298 -2.450 1.00 1.00 H new HETATM 0 H1YB RCY A 168 70.978 -1.138 -1.556 1.00 1.00 H new HETATM 0 H1YA RCY A 168 69.972 -1.497 -0.132 1.00 1.00 H new HETATM 0 H1VB RCY A 168 69.895 -0.314 3.224 1.00 1.00 H new HETATM 0 H1VA RCY A 168 68.481 -0.835 2.276 1.00 1.00 H new HETATM 0 H1MA RCY A 168 72.023 1.474 -0.256 1.00 1.00 H new HETATM 0 H1LA RCY A 168 74.335 1.871 4.091 1.00 1.00 H new HETATM 0 H1CB RCY A 168 68.929 2.113 3.426 1.00 1.00 H new HETATM 0 H1CA RCY A 168 68.317 2.879 1.941 1.00 1.00 H new HETATM 0 H1Z RCY A 168 69.236 1.235 -2.525 1.00 1.00 H new HETATM 0 H1Y RCY A 168 69.204 -1.085 -1.683 1.00 1.00 H new HETATM 0 H1V RCY A 168 70.118 -0.995 1.595 1.00 1.00 H new HETATM 0 H1U RCY A 168 70.655 2.714 1.174 1.00 1.00 H new HETATM 0 H1S RCY A 168 71.706 1.067 5.458 1.00 1.00 H new HETATM 0 H1M RCY A 168 71.735 -0.020 0.615 1.00 1.00 H new HETATM 0 H1L RCY A 168 73.407 2.786 5.263 1.00 1.00 H new HETATM 0 H1C RCY A 168 67.493 1.450 2.609 1.00 1.00 H new HETATM 1423 C1C RCY A 173 74.627 2.902 -1.763 1.00 1.00 C HETATM 1424 O1G RCY A 173 72.960 7.068 -1.011 1.00 1.00 O HETATM 1425 O1H RCY A 173 76.267 4.154 0.683 1.00 1.00 O HETATM 1426 O1J RCY A 173 75.814 1.623 0.691 1.00 1.00 O HETATM 1427 C1L RCY A 173 75.323 7.363 -0.447 1.00 1.00 C HETATM 1428 C1M RCY A 173 72.655 3.721 1.258 1.00 1.00 C HETATM 1429 C1P RCY A 173 74.002 6.592 -0.563 1.00 1.00 C HETATM 1430 C1Q RCY A 173 75.570 5.146 0.476 1.00 1.00 C HETATM 1431 N1R RCY A 173 74.141 5.158 -0.053 1.00 1.00 N HETATM 1432 C1S RCY A 173 75.978 6.590 0.702 1.00 1.00 C HETATM 1433 C1U RCY A 173 73.118 4.021 -0.066 1.00 1.00 C HETATM 1434 C1V RCY A 173 72.616 1.664 -0.842 1.00 1.00 C HETATM 1435 N1V RCY A 173 74.517 2.292 0.663 1.00 1.00 N HETATM 1436 C1W RCY A 173 73.671 2.739 1.854 1.00 1.00 C HETATM 1437 C1X RCY A 173 73.706 2.700 -0.559 1.00 1.00 C HETATM 1438 C1Y RCY A 173 72.955 1.539 2.482 1.00 1.00 C HETATM 1439 C1Z RCY A 173 74.572 3.426 2.879 1.00 1.00 C HETATM 0 H1VB RCY A 173 72.009 1.996 -1.684 1.00 1.00 H new HETATM 0 H1VA RCY A 173 73.078 0.706 -1.083 1.00 1.00 H new HETATM 0 H1MA RCY A 173 72.588 4.626 1.862 1.00 1.00 H new HETATM 0 H1CB RCY A 173 74.064 3.352 -2.581 1.00 1.00 H new HETATM 0 H1CA RCY A 173 75.450 3.560 -1.485 1.00 1.00 H new HETATM 0 H1Y RCY A 173 73.692 0.853 2.900 1.00 1.00 H new HETATM 0 H1V RCY A 173 71.984 1.551 0.039 1.00 1.00 H new HETATM 0 H1U RCY A 173 72.327 4.379 -0.725 1.00 1.00 H new HETATM 0 H1S RCY A 173 75.633 6.952 1.670 1.00 1.00 H new HETATM 0 H1M RCY A 173 71.658 3.281 1.231 1.00 1.00 H new HETATM 0 H1C RCY A 173 75.024 1.939 -2.083 1.00 1.00 H new HETATM 1442 C1C RCY A 176 79.687 0.590 -2.681 1.00 1.00 C HETATM 1443 O1G RCY A 176 80.674 2.897 -4.151 1.00 1.00 O HETATM 1444 O1H RCY A 176 75.957 3.088 -4.250 1.00 1.00 O HETATM 1445 O1J RCY A 176 77.004 0.242 -1.359 1.00 1.00 O HETATM 1446 C1L RCY A 176 79.063 4.701 -3.782 1.00 1.00 C HETATM 1447 C1M RCY A 176 76.968 0.465 -5.187 1.00 1.00 C HETATM 1448 C1P RCY A 176 79.503 3.274 -4.132 1.00 1.00 C HETATM 1449 C1Q RCY A 176 77.147 3.364 -4.392 1.00 1.00 C HETATM 1450 N1R RCY A 176 78.308 2.380 -4.454 1.00 1.00 N HETATM 1451 C1S RCY A 176 77.731 4.757 -4.539 1.00 1.00 C HETATM 1452 C1U RCY A 176 78.273 0.881 -4.761 1.00 1.00 C HETATM 1453 C1V RCY A 176 78.803 -1.444 -3.908 1.00 1.00 C HETATM 1454 N1V RCY A 176 77.224 0.153 -2.799 1.00 1.00 N HETATM 1455 C1W RCY A 176 76.173 0.175 -3.908 1.00 1.00 C HETATM 1456 C1X RCY A 176 78.552 0.018 -3.531 1.00 1.00 C HETATM 1457 C1Y RCY A 176 75.471 -1.182 -4.007 1.00 1.00 C HETATM 1458 C1Z RCY A 176 75.163 1.285 -3.617 1.00 1.00 C HETATM 0 H1ZB RCY A 176 75.689 2.231 -3.491 1.00 1.00 H new HETATM 0 H1ZA RCY A 176 74.463 1.367 -4.448 1.00 1.00 H new HETATM 0 H1YB RCY A 176 74.786 -1.176 -4.855 1.00 1.00 H new HETATM 0 H1YA RCY A 176 76.214 -1.967 -4.146 1.00 1.00 H new HETATM 0 H1MA RCY A 176 76.485 1.243 -5.778 1.00 1.00 H new HETATM 0 H1LA RCY A 176 78.940 4.849 -2.709 1.00 1.00 H new HETATM 0 H1CB RCY A 176 80.598 0.640 -3.277 1.00 1.00 H new HETATM 0 H1CA RCY A 176 79.419 1.591 -2.343 1.00 1.00 H new HETATM 0 H1Z RCY A 176 74.616 1.049 -2.704 1.00 1.00 H new HETATM 0 H1Y RCY A 176 74.912 -1.370 -3.090 1.00 1.00 H new HETATM 0 H1U RCY A 176 79.036 0.746 -5.528 1.00 1.00 H new HETATM 0 H1S RCY A 176 77.882 5.015 -5.587 1.00 1.00 H new HETATM 0 H1M RCY A 176 77.029 -0.422 -5.817 1.00 1.00 H new HETATM 0 H1L RCY A 176 79.772 5.453 -4.128 1.00 1.00 H new HETATM 0 H1C RCY A 176 79.854 -0.053 -1.817 1.00 1.00 H new HETATM 1461 C1C RCY A 187 76.163 -3.525 -5.156 1.00 1.00 C HETATM 1462 O1G RCY A 187 79.526 -6.785 -5.286 1.00 1.00 O HETATM 1463 O1H RCY A 187 79.833 -2.397 -3.568 1.00 1.00 O HETATM 1464 O1J RCY A 187 74.253 -3.668 -2.832 1.00 1.00 O HETATM 1465 C1L RCY A 187 81.247 -5.051 -5.419 1.00 1.00 C HETATM 1466 C1M RCY A 187 77.801 -4.962 -2.164 1.00 1.00 C HETATM 1467 C1P RCY A 187 79.889 -5.641 -5.019 1.00 1.00 C HETATM 1468 C1Q RCY A 187 79.908 -3.377 -4.308 1.00 1.00 C HETATM 1469 N1R RCY A 187 79.042 -4.629 -4.249 1.00 1.00 N HETATM 1470 C1S RCY A 187 80.887 -3.562 -5.453 1.00 1.00 C HETATM 1471 C1U RCY A 187 77.675 -4.814 -3.586 1.00 1.00 C HETATM 1472 C1V RCY A 187 77.480 -2.299 -3.370 1.00 1.00 C HETATM 1473 N1V RCY A 187 75.686 -3.925 -2.730 1.00 1.00 N HETATM 1474 C1W RCY A 187 76.437 -4.583 -1.574 1.00 1.00 C HETATM 1475 C1X RCY A 187 76.766 -3.597 -3.752 1.00 1.00 C HETATM 1476 C1Y RCY A 187 76.607 -3.597 -0.415 1.00 1.00 C HETATM 1477 C1Z RCY A 187 75.666 -5.822 -1.118 1.00 1.00 C HETATM 0 H1ZB RCY A 187 75.504 -6.483 -1.969 1.00 1.00 H new HETATM 0 H1ZA RCY A 187 76.240 -6.347 -0.355 1.00 1.00 H new HETATM 0 H1YB RCY A 187 77.215 -4.055 0.366 1.00 1.00 H new HETATM 0 H1YA RCY A 187 77.099 -2.694 -0.775 1.00 1.00 H new HETATM 0 H1VA RCY A 187 76.770 -1.472 -3.394 1.00 1.00 H new HETATM 0 H1MA RCY A 187 78.069 -5.985 -1.901 1.00 1.00 H new HETATM 0 H1LA RCY A 187 82.029 -5.275 -4.694 1.00 1.00 H new HETATM 0 H1CB RCY A 187 76.963 -3.457 -5.893 1.00 1.00 H new HETATM 0 H1CA RCY A 187 75.572 -4.421 -5.345 1.00 1.00 H new HETATM 0 H1Z RCY A 187 74.704 -5.520 -0.705 1.00 1.00 H new HETATM 0 H1Y RCY A 187 75.628 -3.340 -0.009 1.00 1.00 H new HETATM 0 H1V RCY A 187 77.893 -2.393 -2.366 1.00 1.00 H new HETATM 0 H1U RCY A 187 77.257 -5.696 -4.072 1.00 1.00 H new HETATM 0 H1M RCY A 187 78.588 -4.316 -1.773 1.00 1.00 H new HETATM 0 H1L RCY A 187 81.594 -5.419 -6.385 1.00 1.00 H new HETATM 0 H1C RCY A 187 75.523 -2.646 -5.233 1.00 1.00 H new