USER MOD reduce.3.24.130724 H: found=0, std=0, add=806, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 659 hydrogens (20 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 11 ARG H : A 11 ARG N : A 110 RCY C1Q :(H bumps) USER MOD NoAdj-H: A 110 RCYH1ZA : A 110 RCY C1Z : A 121 RCY O1J :(H bumps) USER MOD NoAdj-H: A 110 RCYH1VB : A 110 RCY C1V : A 11 ARG C :(H bumps) USER MOD NoAdj-H: A 110 RCYH1SA : A 110 RCY C1S : A 10 CYS SG :(H bumps) USER MOD NoAdj-H: A 110 RCYH1MA : A 110 RCY C1M : A 11 ARG CG :(H bumps) USER MOD NoAdj-H: A 110 RCYH1CB : A 110 RCY C1C : A 12 SER N :(H bumps) USER MOD NoAdj-H: A 110 RCY H1U : A 110 RCY C1U : A 11 ARG CG :(H bumps) USER MOD NoAdj-H: A 121 RCYH1SA : A 121 RCY C1S : A 21 CYS SG :(H bumps) USER MOD NoAdj-H: A 130 RCYH1SA : A 130 RCY C1S : A 30 CYS SG :(H bumps) USER MOD NoAdj-H: A 138 RCYH1SA : A 138 RCY C1S : A 38 CYS SG :(H bumps) USER MOD NoAdj-H: A 138 RCYH1MA : A 138 RCY C1M : A 150 RCY C1L :(H bumps) USER MOD NoAdj-H: A 138 RCYH1LA : A 138 RCY C1L : A 150 RCY C1X :(H bumps) USER MOD NoAdj-H: A 150 RCYH1SA : A 150 RCY C1S : A 50 CYS SG :(H bumps) USER MOD NoAdj-H: A 150 RCYH1CB : A 150 RCY C1C : A 138 RCY O1G :(H bumps) USER MOD NoAdj-H: A 150 RCYH1CA : A 150 RCY C1C : A 138 RCY C1L :(H bumps) USER MOD NoAdj-H: A 150 RCY H1U : A 150 RCY C1U : A 138 RCY C1Q :(H bumps) USER MOD NoAdj-H: A 150 RCY H1L : A 150 RCY C1L : A 138 RCY C1M :(H bumps) USER MOD NoAdj-H: A 150 RCY H1C : A 150 RCY C1C : 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 168 RCYH1SA : A 168 RCY C1S : A 68 CYS SG :(H bumps) USER MOD NoAdj-H: A 173 RCYH1ZB : A 173 RCY C1Z : A 176 RCY C1Q :(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 RCYH1MA : A 173 RCY C1M : A 76 CYS SG :(H bumps) USER MOD NoAdj-H: A 176 RCYH1SA : A 176 RCY C1S : A 76 CYS SG :(H bumps) USER MOD NoAdj-H: A 176 RCYH1CA : A 176 RCY C1C : A 173 RCY O1J :(H bumps) USER MOD NoAdj-H: A 187 RCYH1SA : A 187 RCY C1S : A 87 CYS SG :(H bumps) USER MOD Set 1.1: A 1 MET N :NH3+ -140:sc= -0.154 (180deg=-0.963) USER MOD Set 1.2: A 2 ASN : amide:sc= -6.99! C(o=-7.1!,f=-8!) USER MOD Single : A 1 MET CE :methyl 143:sc= -0.159 (180deg=-1.28) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot -23:sc= -7.92! USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.592 USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot -91:sc= 0.0555 USER MOD Single : A 25 LYS NZ :NH3+ 164:sc= -0.0176 (180deg=-0.285) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 161:sc= -0.146 (180deg=-0.927) USER MOD Single : A 32 GLN :FLIP amide:sc= -0.421 F(o=-0.99,f=-0.42) USER MOD Single : A 34 GLN : amide:sc= -0.243 X(o=-0.24,f=-0.28) USER MOD Single : A 35 THR OG1 : rot 110:sc= -0.565 USER MOD Single : A 37 GLN :FLIP amide:sc= -0.294 F(o=-6.1!,f=-0.29) USER MOD Single : A 39 LYS NZ :NH3+ -129:sc= -1.87 (180deg=-4.75!) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ -161:sc= 0 (180deg=-0.465) USER MOD Single : A 44 LYS NZ :NH3+ -171:sc= -0.0788 (180deg=-0.101) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc=-0.00294 K(o=-0.0029,f=-1.6!) USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= -0.626! USER MOD Single : A 65 THR OG1 : rot 81:sc= 0.594 USER MOD Single : A 74 ASN : amide:sc= -3.44! C(o=-3.4!,f=-3!) USER MOD Single : A 75 HIS : no HE2:sc= -15.1! C(o=-15!,f=-17!) USER MOD Single : A 79 HIS : no HE2:sc= -2.62! C(o=-2.6!,f=-5.6!) USER MOD Single : A 83 GLN : amide:sc= -8.19! C(o=-8.2!,f=-9.5!) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 63.642 15.045 19.681 1.00 1.00 N ATOM 2 CA MET A 1 63.032 13.696 19.849 1.00 1.00 C ATOM 3 C MET A 1 61.815 13.569 18.930 1.00 1.00 C ATOM 4 O MET A 1 61.944 13.493 17.725 1.00 1.00 O ATOM 5 CB MET A 1 62.596 13.512 21.304 1.00 1.00 C ATOM 6 CG MET A 1 63.809 13.666 22.224 1.00 1.00 C ATOM 7 SD MET A 1 63.263 13.645 23.950 1.00 1.00 S ATOM 8 CE MET A 1 62.624 11.952 23.964 1.00 1.00 C ATOM 0 H1 MET A 1 64.679 14.961 19.691 1.00 1.00 H new ATOM 0 H2 MET A 1 63.337 15.454 18.775 1.00 1.00 H new ATOM 0 H3 MET A 1 63.337 15.663 20.460 1.00 1.00 H new ATOM 0 HA MET A 1 63.763 12.930 19.590 1.00 1.00 H new ATOM 0 HB2 MET A 1 61.835 14.248 21.562 1.00 1.00 H new ATOM 0 HB3 MET A 1 62.147 12.528 21.438 1.00 1.00 H new ATOM 0 HG2 MET A 1 64.519 12.858 22.046 1.00 1.00 H new ATOM 0 HG3 MET A 1 64.328 14.600 22.007 1.00 1.00 H new ATOM 0 HE1 MET A 1 62.838 11.490 24.928 1.00 1.00 H new ATOM 0 HE2 MET A 1 61.546 11.968 23.801 1.00 1.00 H new ATOM 0 HE3 MET A 1 63.102 11.376 23.171 1.00 1.00 H new ATOM 17 N ASN A 2 60.635 13.546 19.494 1.00 1.00 N ATOM 18 CA ASN A 2 59.400 13.426 18.664 1.00 1.00 C ATOM 19 C ASN A 2 59.632 12.432 17.522 1.00 1.00 C ATOM 20 O ASN A 2 59.999 12.807 16.426 1.00 1.00 O ATOM 21 CB ASN A 2 59.035 14.796 18.086 1.00 1.00 C ATOM 22 CG ASN A 2 60.198 15.322 17.242 1.00 1.00 C ATOM 23 OD1 ASN A 2 61.146 15.871 17.768 1.00 1.00 O ATOM 24 ND2 ASN A 2 60.165 15.177 15.946 1.00 1.00 N ATOM 0 H ASN A 2 60.474 13.606 20.499 1.00 1.00 H new ATOM 0 HA ASN A 2 58.583 13.066 19.290 1.00 1.00 H new ATOM 0 HB2 ASN A 2 58.136 14.717 17.475 1.00 1.00 H new ATOM 0 HB3 ASN A 2 58.812 15.495 18.892 1.00 1.00 H new ATOM 0 HD21 ASN A 2 60.935 15.524 15.374 1.00 1.00 H new ATOM 0 HD22 ASN A 2 59.369 14.716 15.504 1.00 1.00 H new ATOM 31 N LEU A 3 59.419 11.169 17.770 1.00 1.00 N ATOM 32 CA LEU A 3 59.626 10.154 16.698 1.00 1.00 C ATOM 33 C LEU A 3 58.474 10.238 15.694 1.00 1.00 C ATOM 34 O LEU A 3 57.359 10.571 16.041 1.00 1.00 O ATOM 35 CB LEU A 3 59.663 8.755 17.320 1.00 1.00 C ATOM 36 CG LEU A 3 61.035 8.514 17.952 1.00 1.00 C ATOM 37 CD1 LEU A 3 61.346 9.637 18.943 1.00 1.00 C ATOM 38 CD2 LEU A 3 61.026 7.173 18.691 1.00 1.00 C ATOM 0 H LEU A 3 59.111 10.796 18.668 1.00 1.00 H new ATOM 0 HA LEU A 3 60.570 10.347 16.188 1.00 1.00 H new ATOM 0 HB2 LEU A 3 58.882 8.660 18.074 1.00 1.00 H new ATOM 0 HB3 LEU A 3 59.464 8.001 16.558 1.00 1.00 H new ATOM 0 HG LEU A 3 61.796 8.497 17.172 1.00 1.00 H new ATOM 0 HD11 LEU A 3 62.324 9.465 19.393 1.00 1.00 H new ATOM 0 HD12 LEU A 3 61.351 10.593 18.420 1.00 1.00 H new ATOM 0 HD13 LEU A 3 60.585 9.654 19.724 1.00 1.00 H new ATOM 0 HD21 LEU A 3 62.003 7.000 19.142 1.00 1.00 H new ATOM 0 HD22 LEU A 3 60.265 7.192 19.471 1.00 1.00 H new ATOM 0 HD23 LEU A 3 60.804 6.371 17.987 1.00 1.00 H new ATOM 50 N GLU A 4 58.736 9.940 14.450 1.00 1.00 N ATOM 51 CA GLU A 4 57.656 10.005 13.425 1.00 1.00 C ATOM 52 C GLU A 4 56.860 8.694 13.440 1.00 1.00 C ATOM 53 O GLU A 4 57.388 7.649 13.765 1.00 1.00 O ATOM 54 CB GLU A 4 58.283 10.205 12.042 1.00 1.00 C ATOM 55 CG GLU A 4 58.721 11.663 11.885 1.00 1.00 C ATOM 56 CD GLU A 4 59.835 11.972 12.886 1.00 1.00 C ATOM 57 OE1 GLU A 4 60.660 11.103 13.112 1.00 1.00 O ATOM 58 OE2 GLU A 4 59.844 13.074 13.410 1.00 1.00 O ATOM 0 H GLU A 4 59.651 9.655 14.100 1.00 1.00 H new ATOM 0 HA GLU A 4 56.989 10.838 13.648 1.00 1.00 H new ATOM 0 HB2 GLU A 4 59.140 9.542 11.920 1.00 1.00 H new ATOM 0 HB3 GLU A 4 57.565 9.944 11.264 1.00 1.00 H new ATOM 0 HG2 GLU A 4 59.072 11.841 10.868 1.00 1.00 H new ATOM 0 HG3 GLU A 4 57.874 12.328 12.051 1.00 1.00 H new ATOM 65 N PRO A 5 55.600 8.745 13.085 1.00 1.00 N ATOM 66 CA PRO A 5 54.725 7.541 13.052 1.00 1.00 C ATOM 67 C PRO A 5 55.466 6.299 12.533 1.00 1.00 C ATOM 68 O PRO A 5 55.740 6.187 11.355 1.00 1.00 O ATOM 69 CB PRO A 5 53.617 7.948 12.081 1.00 1.00 C ATOM 70 CG PRO A 5 53.497 9.430 12.227 1.00 1.00 C ATOM 71 CD PRO A 5 54.869 9.954 12.671 1.00 1.00 C ATOM 0 HA PRO A 5 54.365 7.263 14.043 1.00 1.00 H new ATOM 0 HB2 PRO A 5 53.869 7.672 11.057 1.00 1.00 H new ATOM 0 HB3 PRO A 5 52.678 7.451 12.323 1.00 1.00 H new ATOM 0 HG2 PRO A 5 53.198 9.887 11.284 1.00 1.00 H new ATOM 0 HG3 PRO A 5 52.732 9.684 12.961 1.00 1.00 H new ATOM 0 HD2 PRO A 5 55.380 10.470 11.858 1.00 1.00 H new ATOM 0 HD3 PRO A 5 54.777 10.665 13.492 1.00 1.00 H new ATOM 79 N PRO A 6 55.793 5.373 13.401 1.00 1.00 N ATOM 80 CA PRO A 6 56.515 4.131 13.009 1.00 1.00 C ATOM 81 C PRO A 6 55.575 3.075 12.418 1.00 1.00 C ATOM 82 O PRO A 6 54.549 2.756 12.985 1.00 1.00 O ATOM 83 CB PRO A 6 57.119 3.643 14.326 1.00 1.00 C ATOM 84 CG PRO A 6 56.189 4.138 15.387 1.00 1.00 C ATOM 85 CD PRO A 6 55.517 5.406 14.846 1.00 1.00 C ATOM 0 HA PRO A 6 57.256 4.315 12.231 1.00 1.00 H new ATOM 0 HB2 PRO A 6 57.197 2.556 14.345 1.00 1.00 H new ATOM 0 HB3 PRO A 6 58.125 4.037 14.468 1.00 1.00 H new ATOM 0 HG2 PRO A 6 55.443 3.381 15.629 1.00 1.00 H new ATOM 0 HG3 PRO A 6 56.734 4.354 16.306 1.00 1.00 H new ATOM 0 HD2 PRO A 6 54.446 5.405 15.047 1.00 1.00 H new ATOM 0 HD3 PRO A 6 55.928 6.303 15.309 1.00 1.00 H new ATOM 93 N LYS A 7 55.922 2.531 11.284 1.00 1.00 N ATOM 94 CA LYS A 7 55.057 1.494 10.651 1.00 1.00 C ATOM 95 C LYS A 7 55.669 1.075 9.312 1.00 1.00 C ATOM 96 O LYS A 7 55.944 1.898 8.461 1.00 1.00 O ATOM 97 CB LYS A 7 53.654 2.065 10.413 1.00 1.00 C ATOM 98 CG LYS A 7 53.764 3.518 9.946 1.00 1.00 C ATOM 99 CD LYS A 7 52.489 3.912 9.197 1.00 1.00 C ATOM 100 CE LYS A 7 52.633 3.547 7.718 1.00 1.00 C ATOM 101 NZ LYS A 7 51.290 3.554 7.072 1.00 1.00 N ATOM 0 H LYS A 7 56.770 2.761 10.766 1.00 1.00 H new ATOM 0 HA LYS A 7 54.986 0.629 11.311 1.00 1.00 H new ATOM 0 HB2 LYS A 7 53.131 1.470 9.664 1.00 1.00 H new ATOM 0 HB3 LYS A 7 53.068 2.011 11.330 1.00 1.00 H new ATOM 0 HG2 LYS A 7 53.913 4.176 10.802 1.00 1.00 H new ATOM 0 HG3 LYS A 7 54.631 3.638 9.297 1.00 1.00 H new ATOM 0 HD2 LYS A 7 51.629 3.399 9.627 1.00 1.00 H new ATOM 0 HD3 LYS A 7 52.308 4.982 9.303 1.00 1.00 H new ATOM 0 HE2 LYS A 7 53.292 4.258 7.219 1.00 1.00 H new ATOM 0 HE3 LYS A 7 53.091 2.563 7.618 1.00 1.00 H new ATOM 0 HZ1 LYS A 7 51.387 3.306 6.067 1.00 1.00 H new ATOM 0 HZ2 LYS A 7 50.675 2.859 7.542 1.00 1.00 H new ATOM 0 HZ3 LYS A 7 50.869 4.501 7.156 1.00 1.00 H new ATOM 115 N ALA A 8 55.885 -0.196 9.117 1.00 1.00 N ATOM 116 CA ALA A 8 56.479 -0.657 7.831 1.00 1.00 C ATOM 117 C ALA A 8 56.406 -2.184 7.748 1.00 1.00 C ATOM 118 O ALA A 8 55.383 -2.782 8.015 1.00 1.00 O ATOM 119 CB ALA A 8 57.941 -0.211 7.759 1.00 1.00 C ATOM 0 H ALA A 8 55.677 -0.934 9.790 1.00 1.00 H new ATOM 0 HA ALA A 8 55.923 -0.224 6.999 1.00 1.00 H new ATOM 0 HB1 ALA A 8 58.378 -0.547 6.819 1.00 1.00 H new ATOM 0 HB2 ALA A 8 57.993 0.876 7.815 1.00 1.00 H new ATOM 0 HB3 ALA A 8 58.495 -0.644 8.592 1.00 1.00 H new ATOM 125 N GLU A 9 57.486 -2.819 7.377 1.00 1.00 N ATOM 126 CA GLU A 9 57.482 -4.307 7.273 1.00 1.00 C ATOM 127 C GLU A 9 58.900 -4.833 7.510 1.00 1.00 C ATOM 128 O GLU A 9 59.855 -4.082 7.529 1.00 1.00 O ATOM 129 CB GLU A 9 57.010 -4.717 5.874 1.00 1.00 C ATOM 130 CG GLU A 9 56.706 -6.216 5.855 1.00 1.00 C ATOM 131 CD GLU A 9 55.940 -6.566 4.578 1.00 1.00 C ATOM 132 OE1 GLU A 9 56.581 -6.745 3.556 1.00 1.00 O ATOM 133 OE2 GLU A 9 54.724 -6.649 4.643 1.00 1.00 O ATOM 0 H GLU A 9 58.371 -2.371 7.141 1.00 1.00 H new ATOM 0 HA GLU A 9 56.808 -4.726 8.020 1.00 1.00 H new ATOM 0 HB2 GLU A 9 56.120 -4.151 5.599 1.00 1.00 H new ATOM 0 HB3 GLU A 9 57.777 -4.482 5.137 1.00 1.00 H new ATOM 0 HG2 GLU A 9 57.634 -6.786 5.903 1.00 1.00 H new ATOM 0 HG3 GLU A 9 56.118 -6.490 6.731 1.00 1.00 H new ATOM 140 N CYS A 10 59.047 -6.117 7.695 1.00 1.00 N ATOM 141 CA CYS A 10 60.404 -6.685 7.933 1.00 1.00 C ATOM 142 C CYS A 10 60.396 -8.183 7.617 1.00 1.00 C ATOM 143 O CYS A 10 61.359 -8.882 7.861 1.00 1.00 O ATOM 144 CB CYS A 10 60.793 -6.477 9.399 1.00 1.00 C ATOM 145 SG CYS A 10 59.805 -7.572 10.448 1.00 1.00 S ATOM 0 H CYS A 10 58.286 -6.797 7.692 1.00 1.00 H new ATOM 0 HA CYS A 10 61.125 -6.182 7.289 1.00 1.00 H new ATOM 0 HB2 CYS A 10 61.854 -6.684 9.537 1.00 1.00 H new ATOM 0 HB3 CYS A 10 60.631 -5.438 9.685 1.00 1.00 H new ATOM 150 N ARG A 11 59.315 -8.681 7.079 1.00 1.00 N ATOM 151 CA ARG A 11 59.245 -10.136 6.752 1.00 1.00 C ATOM 152 C ARG A 11 60.552 -10.582 6.091 1.00 1.00 C ATOM 153 O ARG A 11 60.760 -10.387 4.910 1.00 1.00 O ATOM 154 CB ARG A 11 58.077 -10.388 5.792 1.00 1.00 C ATOM 155 CG ARG A 11 58.169 -9.431 4.602 1.00 1.00 C ATOM 156 CD ARG A 11 58.249 -10.236 3.304 1.00 1.00 C ATOM 157 NE ARG A 11 57.037 -11.093 3.176 1.00 1.00 N ATOM 158 CZ ARG A 11 55.906 -10.570 2.788 1.00 1.00 C ATOM 159 NH1 ARG A 11 55.836 -9.297 2.512 1.00 1.00 N ATOM 160 NH2 ARG A 11 54.844 -11.321 2.676 1.00 1.00 N ATOM 0 HA ARG A 11 59.093 -10.704 7.670 1.00 1.00 H new ATOM 0 HB2 ARG A 11 58.098 -11.420 5.443 1.00 1.00 H new ATOM 0 HB3 ARG A 11 57.130 -10.246 6.312 1.00 1.00 H new ATOM 0 HG2 ARG A 11 57.299 -8.774 4.582 1.00 1.00 H new ATOM 0 HG3 ARG A 11 59.048 -8.794 4.702 1.00 1.00 H new ATOM 0 HD2 ARG A 11 58.323 -9.563 2.450 1.00 1.00 H new ATOM 0 HD3 ARG A 11 59.147 -10.854 3.302 1.00 1.00 H new ATOM 0 HE ARG A 11 57.091 -12.088 3.392 1.00 1.00 H new ATOM 0 HH11 ARG A 11 56.665 -8.710 2.599 1.00 1.00 H new ATOM 0 HH12 ARG A 11 54.952 -8.889 2.209 1.00 1.00 H new ATOM 0 HH21 ARG A 11 54.898 -12.316 2.892 1.00 1.00 H new ATOM 0 HH22 ARG A 11 53.960 -10.912 2.373 1.00 1.00 H new ATOM 174 N SER A 12 61.434 -11.180 6.844 1.00 1.00 N ATOM 175 CA SER A 12 62.727 -11.639 6.260 1.00 1.00 C ATOM 176 C SER A 12 63.552 -12.341 7.342 1.00 1.00 C ATOM 177 O SER A 12 64.112 -11.710 8.216 1.00 1.00 O ATOM 178 CB SER A 12 63.503 -10.433 5.725 1.00 1.00 C ATOM 179 OG SER A 12 63.039 -10.119 4.420 1.00 1.00 O ATOM 0 H SER A 12 61.315 -11.371 7.839 1.00 1.00 H new ATOM 0 HA SER A 12 62.532 -12.334 5.443 1.00 1.00 H new ATOM 0 HB2 SER A 12 63.370 -9.577 6.387 1.00 1.00 H new ATOM 0 HB3 SER A 12 64.570 -10.654 5.701 1.00 1.00 H new ATOM 0 HG SER A 12 62.629 -10.914 4.019 1.00 1.00 H new ATOM 185 N ALA A 13 63.632 -13.643 7.289 1.00 1.00 N ATOM 186 CA ALA A 13 64.422 -14.383 8.314 1.00 1.00 C ATOM 187 C ALA A 13 64.491 -15.864 7.936 1.00 1.00 C ATOM 188 O ALA A 13 64.833 -16.705 8.744 1.00 1.00 O ATOM 189 CB ALA A 13 63.748 -14.237 9.680 1.00 1.00 C ATOM 0 H ALA A 13 63.185 -14.226 6.581 1.00 1.00 H new ATOM 0 HA ALA A 13 65.431 -13.973 8.360 1.00 1.00 H new ATOM 0 HB1 ALA A 13 64.325 -14.778 10.430 1.00 1.00 H new ATOM 0 HB2 ALA A 13 63.699 -13.182 9.951 1.00 1.00 H new ATOM 0 HB3 ALA A 13 62.739 -14.647 9.634 1.00 1.00 H new ATOM 195 N THR A 14 64.169 -16.192 6.714 1.00 1.00 N ATOM 196 CA THR A 14 64.215 -17.619 6.285 1.00 1.00 C ATOM 197 C THR A 14 65.613 -17.950 5.758 1.00 1.00 C ATOM 198 O THR A 14 66.453 -18.457 6.474 1.00 1.00 O ATOM 199 CB THR A 14 63.184 -17.850 5.178 1.00 1.00 C ATOM 200 OG1 THR A 14 63.461 -16.983 4.088 1.00 1.00 O ATOM 201 CG2 THR A 14 61.781 -17.565 5.717 1.00 1.00 C ATOM 0 H THR A 14 63.876 -15.532 5.993 1.00 1.00 H new ATOM 0 HA THR A 14 63.987 -18.262 7.135 1.00 1.00 H new ATOM 0 HB THR A 14 63.237 -18.885 4.841 1.00 1.00 H new ATOM 0 HG1 THR A 14 62.803 -17.131 3.377 1.00 1.00 H new ATOM 0 HG21 THR A 14 61.048 -17.730 4.928 1.00 1.00 H new ATOM 0 HG22 THR A 14 61.570 -18.232 6.553 1.00 1.00 H new ATOM 0 HG23 THR A 14 61.724 -16.530 6.055 1.00 1.00 H new ATOM 209 N ARG A 15 65.868 -17.669 4.508 1.00 1.00 N ATOM 210 CA ARG A 15 67.212 -17.968 3.935 1.00 1.00 C ATOM 211 C ARG A 15 67.518 -16.975 2.811 1.00 1.00 C ATOM 212 O ARG A 15 67.216 -15.802 2.908 1.00 1.00 O ATOM 213 CB ARG A 15 67.220 -19.396 3.375 1.00 1.00 C ATOM 214 CG ARG A 15 68.661 -19.895 3.259 1.00 1.00 C ATOM 215 CD ARG A 15 69.083 -20.550 4.576 1.00 1.00 C ATOM 216 NE ARG A 15 70.509 -20.974 4.486 1.00 1.00 N ATOM 217 CZ ARG A 15 70.843 -21.980 3.724 1.00 1.00 C ATOM 218 NH1 ARG A 15 69.929 -22.613 3.041 1.00 1.00 N ATOM 219 NH2 ARG A 15 72.091 -22.352 3.644 1.00 1.00 N ATOM 0 H ARG A 15 65.204 -17.246 3.860 1.00 1.00 H new ATOM 0 HA ARG A 15 67.970 -17.879 4.713 1.00 1.00 H new ATOM 0 HB2 ARG A 15 66.648 -20.056 4.027 1.00 1.00 H new ATOM 0 HB3 ARG A 15 66.738 -19.417 2.398 1.00 1.00 H new ATOM 0 HG2 ARG A 15 68.744 -20.611 2.442 1.00 1.00 H new ATOM 0 HG3 ARG A 15 69.327 -19.064 3.024 1.00 1.00 H new ATOM 0 HD2 ARG A 15 68.952 -19.850 5.401 1.00 1.00 H new ATOM 0 HD3 ARG A 15 68.449 -21.411 4.786 1.00 1.00 H new ATOM 0 HE ARG A 15 71.223 -20.479 5.019 1.00 1.00 H new ATOM 0 HH11 ARG A 15 68.953 -22.322 3.102 1.00 1.00 H new ATOM 0 HH12 ARG A 15 70.190 -23.399 2.446 1.00 1.00 H new ATOM 0 HH21 ARG A 15 72.806 -21.857 4.177 1.00 1.00 H new ATOM 0 HH22 ARG A 15 72.352 -23.138 3.049 1.00 1.00 H new ATOM 233 N VAL A 16 68.114 -17.435 1.745 1.00 1.00 N ATOM 234 CA VAL A 16 68.437 -16.516 0.616 1.00 1.00 C ATOM 235 C VAL A 16 68.495 -17.315 -0.687 1.00 1.00 C ATOM 236 O VAL A 16 69.163 -18.326 -0.778 1.00 1.00 O ATOM 237 CB VAL A 16 69.795 -15.854 0.864 1.00 1.00 C ATOM 238 CG1 VAL A 16 70.211 -15.060 -0.376 1.00 1.00 C ATOM 239 CG2 VAL A 16 69.688 -14.907 2.062 1.00 1.00 C ATOM 0 H VAL A 16 68.391 -18.407 1.607 1.00 1.00 H new ATOM 0 HA VAL A 16 67.667 -15.748 0.543 1.00 1.00 H new ATOM 0 HB VAL A 16 70.541 -16.622 1.071 1.00 1.00 H new ATOM 0 HG11 VAL A 16 71.178 -14.589 -0.199 1.00 1.00 H new ATOM 0 HG12 VAL A 16 70.286 -15.733 -1.230 1.00 1.00 H new ATOM 0 HG13 VAL A 16 69.466 -14.292 -0.583 1.00 1.00 H new ATOM 0 HG21 VAL A 16 70.654 -14.435 2.240 1.00 1.00 H new ATOM 0 HG22 VAL A 16 68.942 -14.140 1.854 1.00 1.00 H new ATOM 0 HG23 VAL A 16 69.391 -15.471 2.946 1.00 1.00 H new ATOM 249 N MET A 17 67.804 -16.867 -1.698 1.00 1.00 N ATOM 250 CA MET A 17 67.824 -17.601 -2.995 1.00 1.00 C ATOM 251 C MET A 17 67.391 -16.664 -4.124 1.00 1.00 C ATOM 252 O MET A 17 67.824 -16.795 -5.252 1.00 1.00 O ATOM 253 CB MET A 17 66.866 -18.791 -2.923 1.00 1.00 C ATOM 254 CG MET A 17 67.130 -19.731 -4.101 1.00 1.00 C ATOM 255 SD MET A 17 68.666 -20.643 -3.813 1.00 1.00 S ATOM 256 CE MET A 17 68.181 -22.174 -4.648 1.00 1.00 C ATOM 0 H MET A 17 67.227 -16.026 -1.683 1.00 1.00 H new ATOM 0 HA MET A 17 68.835 -17.959 -3.191 1.00 1.00 H new ATOM 0 HB2 MET A 17 67.001 -19.324 -1.982 1.00 1.00 H new ATOM 0 HB3 MET A 17 65.834 -18.442 -2.947 1.00 1.00 H new ATOM 0 HG2 MET A 17 66.299 -20.426 -4.219 1.00 1.00 H new ATOM 0 HG3 MET A 17 67.202 -19.160 -5.027 1.00 1.00 H new ATOM 0 HE1 MET A 17 68.997 -22.894 -4.591 1.00 1.00 H new ATOM 0 HE2 MET A 17 67.297 -22.589 -4.163 1.00 1.00 H new ATOM 0 HE3 MET A 17 67.956 -21.963 -5.693 1.00 1.00 H new ATOM 266 N GLY A 18 66.538 -15.720 -3.832 1.00 1.00 N ATOM 267 CA GLY A 18 66.078 -14.777 -4.892 1.00 1.00 C ATOM 268 C GLY A 18 64.891 -15.388 -5.639 1.00 1.00 C ATOM 269 O GLY A 18 63.793 -14.871 -5.607 1.00 1.00 O ATOM 0 H GLY A 18 66.140 -15.561 -2.906 1.00 1.00 H new ATOM 0 HA2 GLY A 18 65.790 -13.825 -4.446 1.00 1.00 H new ATOM 0 HA3 GLY A 18 66.891 -14.570 -5.587 1.00 1.00 H new ATOM 273 N GLY A 19 65.103 -16.487 -6.310 1.00 1.00 N ATOM 274 CA GLY A 19 63.985 -17.131 -7.057 1.00 1.00 C ATOM 275 C GLY A 19 63.572 -16.238 -8.230 1.00 1.00 C ATOM 276 O GLY A 19 64.312 -15.369 -8.647 1.00 1.00 O ATOM 0 H GLY A 19 66.001 -16.967 -6.373 1.00 1.00 H new ATOM 0 HA2 GLY A 19 64.295 -18.110 -7.423 1.00 1.00 H new ATOM 0 HA3 GLY A 19 63.136 -17.293 -6.393 1.00 1.00 H new ATOM 280 N PRO A 20 62.395 -16.453 -8.756 1.00 1.00 N ATOM 281 CA PRO A 20 61.866 -15.657 -9.903 1.00 1.00 C ATOM 282 C PRO A 20 61.984 -14.146 -9.669 1.00 1.00 C ATOM 283 O PRO A 20 61.607 -13.348 -10.504 1.00 1.00 O ATOM 284 CB PRO A 20 60.394 -16.076 -9.989 1.00 1.00 C ATOM 285 CG PRO A 20 60.339 -17.437 -9.380 1.00 1.00 C ATOM 286 CD PRO A 20 61.439 -17.482 -8.317 1.00 1.00 C ATOM 0 HA PRO A 20 62.426 -15.846 -10.819 1.00 1.00 H new ATOM 0 HB2 PRO A 20 59.754 -15.377 -9.451 1.00 1.00 H new ATOM 0 HB3 PRO A 20 60.049 -16.093 -11.023 1.00 1.00 H new ATOM 0 HG2 PRO A 20 59.362 -17.624 -8.935 1.00 1.00 H new ATOM 0 HG3 PRO A 20 60.498 -18.207 -10.135 1.00 1.00 H new ATOM 0 HD2 PRO A 20 61.045 -17.264 -7.324 1.00 1.00 H new ATOM 0 HD3 PRO A 20 61.906 -18.466 -8.266 1.00 1.00 H new ATOM 294 N CYS A 21 62.504 -13.747 -8.539 1.00 1.00 N ATOM 295 CA CYS A 21 62.644 -12.290 -8.257 1.00 1.00 C ATOM 296 C CYS A 21 63.581 -11.659 -9.290 1.00 1.00 C ATOM 297 O CYS A 21 64.776 -11.878 -9.273 1.00 1.00 O ATOM 298 CB CYS A 21 63.225 -12.096 -6.855 1.00 1.00 C ATOM 299 SG CYS A 21 63.328 -10.328 -6.483 1.00 1.00 S ATOM 0 H CYS A 21 62.837 -14.366 -7.800 1.00 1.00 H new ATOM 0 HA CYS A 21 61.666 -11.812 -8.314 1.00 1.00 H new ATOM 0 HB2 CYS A 21 62.598 -12.598 -6.118 1.00 1.00 H new ATOM 0 HB3 CYS A 21 64.214 -12.549 -6.794 1.00 1.00 H new ATOM 304 N THR A 22 63.047 -10.880 -10.191 1.00 1.00 N ATOM 305 CA THR A 22 63.906 -10.238 -11.227 1.00 1.00 C ATOM 306 C THR A 22 64.555 -8.977 -10.640 1.00 1.00 C ATOM 307 O THR A 22 64.029 -8.377 -9.723 1.00 1.00 O ATOM 308 CB THR A 22 63.039 -9.856 -12.433 1.00 1.00 C ATOM 309 OG1 THR A 22 61.774 -9.399 -11.978 1.00 1.00 O ATOM 310 CG2 THR A 22 62.849 -11.077 -13.335 1.00 1.00 C ATOM 0 H THR A 22 62.053 -10.660 -10.255 1.00 1.00 H new ATOM 0 HA THR A 22 64.685 -10.932 -11.542 1.00 1.00 H new ATOM 0 HB THR A 22 63.530 -9.064 -12.998 1.00 1.00 H new ATOM 0 HG1 THR A 22 61.151 -10.154 -11.929 1.00 1.00 H new ATOM 0 HG21 THR A 22 62.233 -10.804 -14.192 1.00 1.00 H new ATOM 0 HG22 THR A 22 63.821 -11.426 -13.684 1.00 1.00 H new ATOM 0 HG23 THR A 22 62.358 -11.872 -12.773 1.00 1.00 H new ATOM 318 N PRO A 23 65.688 -8.576 -11.165 1.00 1.00 N ATOM 319 CA PRO A 23 66.411 -7.362 -10.685 1.00 1.00 C ATOM 320 C PRO A 23 65.470 -6.174 -10.453 1.00 1.00 C ATOM 321 O PRO A 23 64.271 -6.275 -10.621 1.00 1.00 O ATOM 322 CB PRO A 23 67.389 -7.054 -11.821 1.00 1.00 C ATOM 323 CG PRO A 23 67.656 -8.372 -12.472 1.00 1.00 C ATOM 324 CD PRO A 23 66.403 -9.232 -12.272 1.00 1.00 C ATOM 0 HA PRO A 23 66.895 -7.533 -9.723 1.00 1.00 H new ATOM 0 HB2 PRO A 23 66.960 -6.344 -12.529 1.00 1.00 H new ATOM 0 HB3 PRO A 23 68.308 -6.609 -11.440 1.00 1.00 H new ATOM 0 HG2 PRO A 23 67.869 -8.242 -13.533 1.00 1.00 H new ATOM 0 HG3 PRO A 23 68.528 -8.852 -12.028 1.00 1.00 H new ATOM 0 HD2 PRO A 23 65.794 -9.265 -13.175 1.00 1.00 H new ATOM 0 HD3 PRO A 23 66.662 -10.261 -12.024 1.00 1.00 H new ATOM 332 N ARG A 24 66.008 -5.047 -10.071 1.00 1.00 N ATOM 333 CA ARG A 24 65.150 -3.851 -9.829 1.00 1.00 C ATOM 334 C ARG A 24 64.145 -3.700 -10.974 1.00 1.00 C ATOM 335 O ARG A 24 64.513 -3.586 -12.126 1.00 1.00 O ATOM 336 CB ARG A 24 66.029 -2.599 -9.756 1.00 1.00 C ATOM 337 CG ARG A 24 65.225 -1.440 -9.164 1.00 1.00 C ATOM 338 CD ARG A 24 65.356 -1.453 -7.640 1.00 1.00 C ATOM 339 NE ARG A 24 66.663 -0.855 -7.248 1.00 1.00 N ATOM 340 CZ ARG A 24 66.895 -0.556 -5.999 1.00 1.00 C ATOM 341 NH1 ARG A 24 65.983 -0.780 -5.094 1.00 1.00 N ATOM 342 NH2 ARG A 24 68.040 -0.032 -5.656 1.00 1.00 N ATOM 0 H ARG A 24 67.006 -4.903 -9.916 1.00 1.00 H new ATOM 0 HA ARG A 24 64.613 -3.976 -8.889 1.00 1.00 H new ATOM 0 HB2 ARG A 24 66.908 -2.795 -9.143 1.00 1.00 H new ATOM 0 HB3 ARG A 24 66.387 -2.335 -10.751 1.00 1.00 H new ATOM 0 HG2 ARG A 24 65.586 -0.492 -9.562 1.00 1.00 H new ATOM 0 HG3 ARG A 24 64.177 -1.527 -9.450 1.00 1.00 H new ATOM 0 HD2 ARG A 24 64.538 -0.892 -7.189 1.00 1.00 H new ATOM 0 HD3 ARG A 24 65.285 -2.475 -7.267 1.00 1.00 H new ATOM 0 HE ARG A 24 67.376 -0.679 -7.956 1.00 1.00 H new ATOM 0 HH11 ARG A 24 65.088 -1.189 -5.362 1.00 1.00 H new ATOM 0 HH12 ARG A 24 66.165 -0.546 -4.118 1.00 1.00 H new ATOM 0 HH21 ARG A 24 68.753 0.144 -6.364 1.00 1.00 H new ATOM 0 HH22 ARG A 24 68.222 0.202 -4.680 1.00 1.00 H new ATOM 356 N LYS A 25 62.877 -3.698 -10.666 1.00 1.00 N ATOM 357 CA LYS A 25 61.849 -3.554 -11.735 1.00 1.00 C ATOM 358 C LYS A 25 61.964 -2.168 -12.372 1.00 1.00 C ATOM 359 O LYS A 25 61.494 -1.938 -13.469 1.00 1.00 O ATOM 360 CB LYS A 25 60.455 -3.720 -11.127 1.00 1.00 C ATOM 361 CG LYS A 25 60.186 -2.576 -10.147 1.00 1.00 C ATOM 362 CD LYS A 25 58.969 -2.917 -9.285 1.00 1.00 C ATOM 363 CE LYS A 25 58.720 -1.789 -8.282 1.00 1.00 C ATOM 364 NZ LYS A 25 58.271 -0.568 -9.009 1.00 1.00 N ATOM 0 H LYS A 25 62.508 -3.790 -9.719 1.00 1.00 H new ATOM 0 HA LYS A 25 62.008 -4.318 -12.496 1.00 1.00 H new ATOM 0 HB2 LYS A 25 59.701 -3.723 -11.914 1.00 1.00 H new ATOM 0 HB3 LYS A 25 60.383 -4.678 -10.613 1.00 1.00 H new ATOM 0 HG2 LYS A 25 61.058 -2.412 -9.514 1.00 1.00 H new ATOM 0 HG3 LYS A 25 60.010 -1.649 -10.693 1.00 1.00 H new ATOM 0 HD2 LYS A 25 58.091 -3.057 -9.916 1.00 1.00 H new ATOM 0 HD3 LYS A 25 59.136 -3.856 -8.758 1.00 1.00 H new ATOM 0 HE2 LYS A 25 57.964 -2.092 -7.558 1.00 1.00 H new ATOM 0 HE3 LYS A 25 59.631 -1.578 -7.723 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 57.847 0.101 -8.335 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 59.087 -0.121 -9.474 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 57.565 -0.831 -9.726 1.00 1.00 H new ATOM 378 N GLY A 26 62.585 -1.242 -11.694 1.00 1.00 N ATOM 379 CA GLY A 26 62.727 0.129 -12.262 1.00 1.00 C ATOM 380 C GLY A 26 63.875 0.143 -13.283 1.00 1.00 C ATOM 381 O GLY A 26 64.989 -0.222 -12.965 1.00 1.00 O ATOM 0 H GLY A 26 63.000 -1.375 -10.772 1.00 1.00 H new ATOM 0 HA2 GLY A 26 61.796 0.434 -12.741 1.00 1.00 H new ATOM 0 HA3 GLY A 26 62.926 0.846 -11.465 1.00 1.00 H new ATOM 385 N PRO A 27 63.616 0.562 -14.499 1.00 1.00 N ATOM 386 CA PRO A 27 64.664 0.618 -15.562 1.00 1.00 C ATOM 387 C PRO A 27 65.844 1.508 -15.147 1.00 1.00 C ATOM 388 O PRO A 27 65.854 2.065 -14.067 1.00 1.00 O ATOM 389 CB PRO A 27 63.940 1.211 -16.782 1.00 1.00 C ATOM 390 CG PRO A 27 62.480 1.046 -16.509 1.00 1.00 C ATOM 391 CD PRO A 27 62.309 1.022 -14.989 1.00 1.00 C ATOM 0 HA PRO A 27 65.092 -0.365 -15.762 1.00 1.00 H new ATOM 0 HB2 PRO A 27 64.196 2.262 -16.916 1.00 1.00 H new ATOM 0 HB3 PRO A 27 64.228 0.693 -17.697 1.00 1.00 H new ATOM 0 HG2 PRO A 27 61.911 1.865 -16.948 1.00 1.00 H new ATOM 0 HG3 PRO A 27 62.106 0.124 -16.954 1.00 1.00 H new ATOM 0 HD2 PRO A 27 62.059 2.009 -14.598 1.00 1.00 H new ATOM 0 HD3 PRO A 27 61.508 0.348 -14.687 1.00 1.00 H new ATOM 399 N PRO A 28 66.831 1.642 -15.996 1.00 1.00 N ATOM 400 CA PRO A 28 68.031 2.481 -15.703 1.00 1.00 C ATOM 401 C PRO A 28 67.650 3.916 -15.323 1.00 1.00 C ATOM 402 O PRO A 28 66.540 4.354 -15.551 1.00 1.00 O ATOM 403 CB PRO A 28 68.827 2.463 -17.014 1.00 1.00 C ATOM 404 CG PRO A 28 68.371 1.237 -17.734 1.00 1.00 C ATOM 405 CD PRO A 28 66.917 1.008 -17.321 1.00 1.00 C ATOM 0 HA PRO A 28 68.595 2.097 -14.853 1.00 1.00 H new ATOM 0 HB2 PRO A 28 68.635 3.360 -17.603 1.00 1.00 H new ATOM 0 HB3 PRO A 28 69.900 2.431 -16.823 1.00 1.00 H new ATOM 0 HG2 PRO A 28 68.452 1.368 -18.813 1.00 1.00 H new ATOM 0 HG3 PRO A 28 68.989 0.379 -17.470 1.00 1.00 H new ATOM 0 HD2 PRO A 28 66.223 1.462 -18.029 1.00 1.00 H new ATOM 0 HD3 PRO A 28 66.676 -0.054 -17.274 1.00 1.00 H new ATOM 413 N LYS A 29 68.561 4.648 -14.742 1.00 1.00 N ATOM 414 CA LYS A 29 68.253 6.053 -14.345 1.00 1.00 C ATOM 415 C LYS A 29 69.487 6.928 -14.571 1.00 1.00 C ATOM 416 O LYS A 29 69.381 8.102 -14.862 1.00 1.00 O ATOM 417 CB LYS A 29 67.868 6.090 -12.865 1.00 1.00 C ATOM 418 CG LYS A 29 66.715 5.117 -12.612 1.00 1.00 C ATOM 419 CD LYS A 29 66.259 5.232 -11.156 1.00 1.00 C ATOM 420 CE LYS A 29 65.145 4.218 -10.888 1.00 1.00 C ATOM 421 NZ LYS A 29 64.927 4.096 -9.419 1.00 1.00 N ATOM 0 H LYS A 29 69.507 4.334 -14.524 1.00 1.00 H new ATOM 0 HA LYS A 29 67.425 6.428 -14.947 1.00 1.00 H new ATOM 0 HB2 LYS A 29 68.726 5.822 -12.249 1.00 1.00 H new ATOM 0 HB3 LYS A 29 67.574 7.100 -12.580 1.00 1.00 H new ATOM 0 HG2 LYS A 29 65.885 5.338 -13.283 1.00 1.00 H new ATOM 0 HG3 LYS A 29 67.033 4.096 -12.825 1.00 1.00 H new ATOM 0 HD2 LYS A 29 67.099 5.051 -10.485 1.00 1.00 H new ATOM 0 HD3 LYS A 29 65.902 6.242 -10.954 1.00 1.00 H new ATOM 0 HE2 LYS A 29 64.224 4.535 -11.378 1.00 1.00 H new ATOM 0 HE3 LYS A 29 65.412 3.249 -11.309 1.00 1.00 H new ATOM 0 HZ1 LYS A 29 64.170 3.407 -9.236 1.00 1.00 H new ATOM 0 HZ2 LYS A 29 65.805 3.775 -8.963 1.00 1.00 H new ATOM 0 HZ3 LYS A 29 64.654 5.021 -9.031 1.00 1.00 H new ATOM 435 N CYS A 30 70.656 6.365 -14.435 1.00 1.00 N ATOM 436 CA CYS A 30 71.898 7.163 -14.637 1.00 1.00 C ATOM 437 C CYS A 30 73.105 6.346 -14.169 1.00 1.00 C ATOM 438 O CYS A 30 73.115 5.804 -13.081 1.00 1.00 O ATOM 439 CB CYS A 30 71.803 8.462 -13.829 1.00 1.00 C ATOM 440 SG CYS A 30 73.459 8.978 -13.313 1.00 1.00 S ATOM 0 H CYS A 30 70.805 5.386 -14.192 1.00 1.00 H new ATOM 0 HA CYS A 30 72.015 7.405 -15.693 1.00 1.00 H new ATOM 0 HB2 CYS A 30 71.339 9.243 -14.431 1.00 1.00 H new ATOM 0 HB3 CYS A 30 71.169 8.313 -12.955 1.00 1.00 H new ATOM 445 N LYS A 31 74.124 6.254 -14.984 1.00 1.00 N ATOM 446 CA LYS A 31 75.336 5.473 -14.595 1.00 1.00 C ATOM 447 C LYS A 31 76.574 6.365 -14.707 1.00 1.00 C ATOM 448 O LYS A 31 77.643 6.018 -14.247 1.00 1.00 O ATOM 449 CB LYS A 31 75.488 4.266 -15.530 1.00 1.00 C ATOM 450 CG LYS A 31 75.080 4.661 -16.951 1.00 1.00 C ATOM 451 CD LYS A 31 73.616 4.284 -17.185 1.00 1.00 C ATOM 452 CE LYS A 31 73.173 4.785 -18.561 1.00 1.00 C ATOM 453 NZ LYS A 31 74.235 4.487 -19.564 1.00 1.00 N ATOM 0 H LYS A 31 74.169 6.688 -15.906 1.00 1.00 H new ATOM 0 HA LYS A 31 75.231 5.125 -13.567 1.00 1.00 H new ATOM 0 HB2 LYS A 31 76.520 3.915 -15.522 1.00 1.00 H new ATOM 0 HB3 LYS A 31 74.868 3.441 -15.179 1.00 1.00 H new ATOM 0 HG2 LYS A 31 75.218 5.732 -17.096 1.00 1.00 H new ATOM 0 HG3 LYS A 31 75.717 4.156 -17.677 1.00 1.00 H new ATOM 0 HD2 LYS A 31 73.494 3.203 -17.123 1.00 1.00 H new ATOM 0 HD3 LYS A 31 72.988 4.721 -16.408 1.00 1.00 H new ATOM 0 HE2 LYS A 31 72.239 4.305 -18.851 1.00 1.00 H new ATOM 0 HE3 LYS A 31 72.982 5.858 -18.525 1.00 1.00 H new ATOM 0 HZ1 LYS A 31 73.829 4.522 -20.521 1.00 1.00 H new ATOM 0 HZ2 LYS A 31 74.995 5.192 -19.485 1.00 1.00 H new ATOM 0 HZ3 LYS A 31 74.623 3.538 -19.387 1.00 1.00 H new ATOM 467 N GLN A 32 76.434 7.514 -15.314 1.00 1.00 N ATOM 468 CA GLN A 32 77.599 8.438 -15.460 1.00 1.00 C ATOM 469 C GLN A 32 77.391 9.663 -14.568 1.00 1.00 C ATOM 470 O GLN A 32 76.819 10.653 -14.979 1.00 1.00 O ATOM 471 CB GLN A 32 77.714 8.884 -16.919 1.00 1.00 C ATOM 472 CG GLN A 32 78.324 7.755 -17.752 1.00 1.00 C ATOM 473 CD GLN A 32 79.823 7.660 -17.463 1.00 1.00 C ATOM 474 OE1 GLN A 32 80.241 6.900 -16.488 1.00 1.00 O flip ATOM 475 NE2 GLN A 32 80.623 8.283 -18.133 1.00 1.00 N flip ATOM 0 H GLN A 32 75.561 7.854 -15.716 1.00 1.00 H new ATOM 0 HA GLN A 32 78.513 7.923 -15.164 1.00 1.00 H new ATOM 0 HB2 GLN A 32 76.730 9.147 -17.308 1.00 1.00 H new ATOM 0 HB3 GLN A 32 78.334 9.778 -16.989 1.00 1.00 H new ATOM 0 HG2 GLN A 32 77.836 6.809 -17.515 1.00 1.00 H new ATOM 0 HG3 GLN A 32 78.159 7.941 -18.813 1.00 1.00 H new ATOM 0 HE21 GLN A 32 80.297 8.877 -18.895 1.00 1.00 H new ATOM 0 HE22 GLN A 32 81.621 8.212 -17.933 1.00 1.00 H new ATOM 484 N ARG A 33 77.853 9.603 -13.348 1.00 1.00 N ATOM 485 CA ARG A 33 77.687 10.761 -12.423 1.00 1.00 C ATOM 486 C ARG A 33 78.970 11.597 -12.420 1.00 1.00 C ATOM 487 O ARG A 33 79.610 11.772 -13.438 1.00 1.00 O ATOM 488 CB ARG A 33 77.404 10.244 -11.007 1.00 1.00 C ATOM 489 CG ARG A 33 76.629 11.303 -10.220 1.00 1.00 C ATOM 490 CD ARG A 33 76.666 10.961 -8.730 1.00 1.00 C ATOM 491 NE ARG A 33 76.552 9.485 -8.556 1.00 1.00 N ATOM 492 CZ ARG A 33 76.867 8.937 -7.414 1.00 1.00 C ATOM 493 NH1 ARG A 33 77.282 9.680 -6.425 1.00 1.00 N ATOM 494 NH2 ARG A 33 76.768 7.644 -7.262 1.00 1.00 N ATOM 0 H ARG A 33 78.340 8.799 -12.951 1.00 1.00 H new ATOM 0 HA ARG A 33 76.853 11.380 -12.755 1.00 1.00 H new ATOM 0 HB2 ARG A 33 76.830 9.319 -11.055 1.00 1.00 H new ATOM 0 HB3 ARG A 33 78.340 10.012 -10.500 1.00 1.00 H new ATOM 0 HG2 ARG A 33 77.065 12.288 -10.389 1.00 1.00 H new ATOM 0 HG3 ARG A 33 75.597 11.347 -10.568 1.00 1.00 H new ATOM 0 HD2 ARG A 33 77.595 11.320 -8.287 1.00 1.00 H new ATOM 0 HD3 ARG A 33 75.850 11.463 -8.210 1.00 1.00 H new ATOM 0 HE ARG A 33 76.228 8.904 -9.329 1.00 1.00 H new ATOM 0 HH11 ARG A 33 77.360 10.690 -6.544 1.00 1.00 H new ATOM 0 HH12 ARG A 33 77.528 9.251 -5.533 1.00 1.00 H new ATOM 0 HH21 ARG A 33 76.445 7.063 -8.035 1.00 1.00 H new ATOM 0 HH22 ARG A 33 77.014 7.215 -6.370 1.00 1.00 H new ATOM 508 N GLN A 34 79.353 12.113 -11.283 1.00 1.00 N ATOM 509 CA GLN A 34 80.596 12.934 -11.218 1.00 1.00 C ATOM 510 C GLN A 34 80.926 13.246 -9.757 1.00 1.00 C ATOM 511 O GLN A 34 80.924 14.387 -9.341 1.00 1.00 O ATOM 512 CB GLN A 34 80.383 14.244 -11.982 1.00 1.00 C ATOM 513 CG GLN A 34 81.735 14.918 -12.226 1.00 1.00 C ATOM 514 CD GLN A 34 82.527 14.115 -13.259 1.00 1.00 C ATOM 515 OE1 GLN A 34 83.452 13.407 -12.915 1.00 1.00 O ATOM 516 NE2 GLN A 34 82.201 14.196 -14.520 1.00 1.00 N ATOM 0 H GLN A 34 78.859 12.002 -10.397 1.00 1.00 H new ATOM 0 HA GLN A 34 81.420 12.380 -11.667 1.00 1.00 H new ATOM 0 HB2 GLN A 34 79.886 14.047 -12.932 1.00 1.00 H new ATOM 0 HB3 GLN A 34 79.731 14.907 -11.413 1.00 1.00 H new ATOM 0 HG2 GLN A 34 81.586 15.938 -12.579 1.00 1.00 H new ATOM 0 HG3 GLN A 34 82.295 14.982 -11.293 1.00 1.00 H new ATOM 0 HE21 GLN A 34 81.424 14.791 -14.809 1.00 1.00 H new ATOM 0 HE22 GLN A 34 82.723 13.665 -15.217 1.00 1.00 H new ATOM 525 N THR A 35 81.209 12.240 -8.974 1.00 1.00 N ATOM 526 CA THR A 35 81.540 12.476 -7.539 1.00 1.00 C ATOM 527 C THR A 35 83.059 12.523 -7.365 1.00 1.00 C ATOM 528 O THR A 35 83.775 11.662 -7.837 1.00 1.00 O ATOM 529 CB THR A 35 80.965 11.340 -6.690 1.00 1.00 C ATOM 530 OG1 THR A 35 79.631 11.074 -7.099 1.00 1.00 O ATOM 531 CG2 THR A 35 80.978 11.745 -5.215 1.00 1.00 C ATOM 0 H THR A 35 81.225 11.263 -9.267 1.00 1.00 H new ATOM 0 HA THR A 35 81.109 13.425 -7.219 1.00 1.00 H new ATOM 0 HB THR A 35 81.571 10.444 -6.823 1.00 1.00 H new ATOM 0 HG1 THR A 35 79.595 10.207 -7.554 1.00 1.00 H new ATOM 0 HG21 THR A 35 80.568 10.935 -4.612 1.00 1.00 H new ATOM 0 HG22 THR A 35 82.002 11.948 -4.902 1.00 1.00 H new ATOM 0 HG23 THR A 35 80.373 12.641 -5.078 1.00 1.00 H new ATOM 539 N ARG A 36 83.556 13.525 -6.691 1.00 1.00 N ATOM 540 CA ARG A 36 85.030 13.635 -6.482 1.00 1.00 C ATOM 541 C ARG A 36 85.387 13.116 -5.089 1.00 1.00 C ATOM 542 O ARG A 36 86.367 13.524 -4.498 1.00 1.00 O ATOM 543 CB ARG A 36 85.451 15.101 -6.595 1.00 1.00 C ATOM 544 CG ARG A 36 84.920 15.688 -7.904 1.00 1.00 C ATOM 545 CD ARG A 36 85.636 15.032 -9.086 1.00 1.00 C ATOM 546 NE ARG A 36 86.046 16.080 -10.063 1.00 1.00 N ATOM 547 CZ ARG A 36 85.146 16.853 -10.606 1.00 1.00 C ATOM 548 NH1 ARG A 36 83.887 16.707 -10.295 1.00 1.00 N ATOM 549 NH2 ARG A 36 85.504 17.771 -11.462 1.00 1.00 N ATOM 0 H ARG A 36 83.004 14.275 -6.275 1.00 1.00 H new ATOM 0 HA ARG A 36 85.548 13.044 -7.237 1.00 1.00 H new ATOM 0 HB2 ARG A 36 85.064 15.667 -5.748 1.00 1.00 H new ATOM 0 HB3 ARG A 36 86.538 15.181 -6.563 1.00 1.00 H new ATOM 0 HG2 ARG A 36 83.845 15.523 -7.979 1.00 1.00 H new ATOM 0 HG3 ARG A 36 85.079 16.766 -7.922 1.00 1.00 H new ATOM 0 HD2 ARG A 36 86.511 14.484 -8.736 1.00 1.00 H new ATOM 0 HD3 ARG A 36 84.978 14.309 -9.567 1.00 1.00 H new ATOM 0 HE ARG A 36 87.030 16.193 -10.307 1.00 1.00 H new ATOM 0 HH11 ARG A 36 83.607 15.989 -9.627 1.00 1.00 H new ATOM 0 HH12 ARG A 36 83.183 17.311 -10.719 1.00 1.00 H new ATOM 0 HH21 ARG A 36 86.488 17.884 -11.707 1.00 1.00 H new ATOM 0 HH22 ARG A 36 84.800 18.375 -11.886 1.00 1.00 H new ATOM 563 N GLN A 37 84.597 12.223 -4.558 1.00 1.00 N ATOM 564 CA GLN A 37 84.886 11.680 -3.198 1.00 1.00 C ATOM 565 C GLN A 37 84.582 10.181 -3.165 1.00 1.00 C ATOM 566 O GLN A 37 85.269 9.413 -2.520 1.00 1.00 O ATOM 567 CB GLN A 37 84.013 12.398 -2.168 1.00 1.00 C ATOM 568 CG GLN A 37 84.436 13.865 -2.074 1.00 1.00 C ATOM 569 CD GLN A 37 83.530 14.596 -1.081 1.00 1.00 C ATOM 570 OE1 GLN A 37 82.536 13.955 -0.530 1.00 1.00 O flip ATOM 571 NE2 GLN A 37 83.729 15.762 -0.804 1.00 1.00 N flip ATOM 0 H GLN A 37 83.763 11.845 -5.007 1.00 1.00 H new ATOM 0 HA GLN A 37 85.938 11.840 -2.962 1.00 1.00 H new ATOM 0 HB2 GLN A 37 82.963 12.329 -2.454 1.00 1.00 H new ATOM 0 HB3 GLN A 37 84.111 11.917 -1.195 1.00 1.00 H new ATOM 0 HG2 GLN A 37 85.475 13.935 -1.753 1.00 1.00 H new ATOM 0 HG3 GLN A 37 84.373 14.336 -3.055 1.00 1.00 H new ATOM 0 HE21 GLN A 37 84.506 16.263 -1.235 1.00 1.00 H new ATOM 0 HE22 GLN A 37 83.119 16.240 -0.141 1.00 1.00 H new ATOM 580 N CYS A 38 83.559 9.754 -3.852 1.00 1.00 N ATOM 581 CA CYS A 38 83.221 8.303 -3.854 1.00 1.00 C ATOM 582 C CYS A 38 84.161 7.563 -4.807 1.00 1.00 C ATOM 583 O CYS A 38 83.987 6.393 -5.084 1.00 1.00 O ATOM 584 CB CYS A 38 81.772 8.114 -4.313 1.00 1.00 C ATOM 585 SG CYS A 38 81.186 6.479 -3.804 1.00 1.00 S ATOM 0 H CYS A 38 82.944 10.345 -4.411 1.00 1.00 H new ATOM 0 HA CYS A 38 83.335 7.902 -2.847 1.00 1.00 H new ATOM 0 HB2 CYS A 38 81.139 8.889 -3.882 1.00 1.00 H new ATOM 0 HB3 CYS A 38 81.706 8.215 -5.396 1.00 1.00 H new ATOM 590 N LYS A 39 85.160 8.238 -5.310 1.00 1.00 N ATOM 591 CA LYS A 39 86.113 7.573 -6.244 1.00 1.00 C ATOM 592 C LYS A 39 87.163 6.804 -5.435 1.00 1.00 C ATOM 593 O LYS A 39 86.837 6.063 -4.530 1.00 1.00 O ATOM 594 CB LYS A 39 86.798 8.630 -7.116 1.00 1.00 C ATOM 595 CG LYS A 39 87.389 9.726 -6.226 1.00 1.00 C ATOM 596 CD LYS A 39 88.422 10.527 -7.021 1.00 1.00 C ATOM 597 CE LYS A 39 89.027 11.610 -6.125 1.00 1.00 C ATOM 598 NZ LYS A 39 88.079 12.754 -6.021 1.00 1.00 N ATOM 0 H LYS A 39 85.357 9.220 -5.115 1.00 1.00 H new ATOM 0 HA LYS A 39 85.572 6.877 -6.886 1.00 1.00 H new ATOM 0 HB2 LYS A 39 87.585 8.169 -7.713 1.00 1.00 H new ATOM 0 HB3 LYS A 39 86.080 9.062 -7.813 1.00 1.00 H new ATOM 0 HG2 LYS A 39 86.598 10.386 -5.869 1.00 1.00 H new ATOM 0 HG3 LYS A 39 87.855 9.283 -5.346 1.00 1.00 H new ATOM 0 HD2 LYS A 39 89.206 9.865 -7.390 1.00 1.00 H new ATOM 0 HD3 LYS A 39 87.952 10.982 -7.893 1.00 1.00 H new ATOM 0 HE2 LYS A 39 89.234 11.204 -5.135 1.00 1.00 H new ATOM 0 HE3 LYS A 39 89.978 11.948 -6.536 1.00 1.00 H new ATOM 0 HZ1 LYS A 39 88.579 13.640 -6.238 1.00 1.00 H new ATOM 0 HZ2 LYS A 39 87.300 12.621 -6.697 1.00 1.00 H new ATOM 0 HZ3 LYS A 39 87.696 12.801 -5.055 1.00 1.00 H new ATOM 612 N SER A 40 88.419 6.973 -5.752 1.00 1.00 N ATOM 613 CA SER A 40 89.481 6.247 -4.998 1.00 1.00 C ATOM 614 C SER A 40 89.097 4.771 -4.871 1.00 1.00 C ATOM 615 O SER A 40 88.390 4.382 -3.963 1.00 1.00 O ATOM 616 CB SER A 40 89.622 6.857 -3.602 1.00 1.00 C ATOM 617 OG SER A 40 90.572 6.108 -2.857 1.00 1.00 O ATOM 0 H SER A 40 88.755 7.581 -6.499 1.00 1.00 H new ATOM 0 HA SER A 40 90.428 6.333 -5.531 1.00 1.00 H new ATOM 0 HB2 SER A 40 89.940 7.897 -3.677 1.00 1.00 H new ATOM 0 HB3 SER A 40 88.659 6.854 -3.092 1.00 1.00 H new ATOM 0 HG SER A 40 90.666 6.497 -1.962 1.00 1.00 H new ATOM 623 N LYS A 41 89.556 3.946 -5.777 1.00 1.00 N ATOM 624 CA LYS A 41 89.215 2.494 -5.713 1.00 1.00 C ATOM 625 C LYS A 41 90.493 1.654 -5.830 1.00 1.00 C ATOM 626 O LYS A 41 90.829 1.168 -6.891 1.00 1.00 O ATOM 627 CB LYS A 41 88.267 2.150 -6.869 1.00 1.00 C ATOM 628 CG LYS A 41 87.451 0.907 -6.511 1.00 1.00 C ATOM 629 CD LYS A 41 86.215 1.320 -5.709 1.00 1.00 C ATOM 630 CE LYS A 41 85.698 0.121 -4.912 1.00 1.00 C ATOM 631 NZ LYS A 41 85.624 -1.072 -5.802 1.00 1.00 N ATOM 0 H LYS A 41 90.153 4.216 -6.559 1.00 1.00 H new ATOM 0 HA LYS A 41 88.731 2.275 -4.761 1.00 1.00 H new ATOM 0 HB2 LYS A 41 87.601 2.989 -7.069 1.00 1.00 H new ATOM 0 HB3 LYS A 41 88.838 1.972 -7.780 1.00 1.00 H new ATOM 0 HG2 LYS A 41 87.150 0.383 -7.418 1.00 1.00 H new ATOM 0 HG3 LYS A 41 88.060 0.214 -5.930 1.00 1.00 H new ATOM 0 HD2 LYS A 41 86.464 2.139 -5.034 1.00 1.00 H new ATOM 0 HD3 LYS A 41 85.438 1.686 -6.381 1.00 1.00 H new ATOM 0 HE2 LYS A 41 86.359 -0.081 -4.069 1.00 1.00 H new ATOM 0 HE3 LYS A 41 84.714 0.342 -4.500 1.00 1.00 H new ATOM 0 HZ1 LYS A 41 84.991 -1.781 -5.380 1.00 1.00 H new ATOM 0 HZ2 LYS A 41 85.255 -0.789 -6.732 1.00 1.00 H new ATOM 0 HZ3 LYS A 41 86.574 -1.480 -5.916 1.00 1.00 H new ATOM 645 N PRO A 42 91.191 1.476 -4.739 1.00 1.00 N ATOM 646 CA PRO A 42 92.447 0.669 -4.706 1.00 1.00 C ATOM 647 C PRO A 42 92.170 -0.812 -4.998 1.00 1.00 C ATOM 648 O PRO A 42 91.041 -1.257 -4.947 1.00 1.00 O ATOM 649 CB PRO A 42 92.979 0.849 -3.272 1.00 1.00 C ATOM 650 CG PRO A 42 92.203 1.981 -2.681 1.00 1.00 C ATOM 651 CD PRO A 42 90.865 2.028 -3.418 1.00 1.00 C ATOM 0 HA PRO A 42 93.160 0.993 -5.464 1.00 1.00 H new ATOM 0 HB2 PRO A 42 92.844 -0.062 -2.689 1.00 1.00 H new ATOM 0 HB3 PRO A 42 94.047 1.069 -3.277 1.00 1.00 H new ATOM 0 HG2 PRO A 42 92.051 1.830 -1.612 1.00 1.00 H new ATOM 0 HG3 PRO A 42 92.742 2.922 -2.796 1.00 1.00 H new ATOM 0 HD2 PRO A 42 90.104 1.435 -2.910 1.00 1.00 H new ATOM 0 HD3 PRO A 42 90.480 3.045 -3.490 1.00 1.00 H new ATOM 659 N PRO A 43 93.191 -1.569 -5.303 1.00 1.00 N ATOM 660 CA PRO A 43 93.047 -3.023 -5.607 1.00 1.00 C ATOM 661 C PRO A 43 92.673 -3.834 -4.362 1.00 1.00 C ATOM 662 O PRO A 43 93.371 -3.821 -3.368 1.00 1.00 O ATOM 663 CB PRO A 43 94.431 -3.430 -6.126 1.00 1.00 C ATOM 664 CG PRO A 43 95.378 -2.426 -5.557 1.00 1.00 C ATOM 665 CD PRO A 43 94.591 -1.125 -5.389 1.00 1.00 C ATOM 0 HA PRO A 43 92.248 -3.213 -6.324 1.00 1.00 H new ATOM 0 HB2 PRO A 43 94.689 -4.439 -5.806 1.00 1.00 H new ATOM 0 HB3 PRO A 43 94.460 -3.424 -7.216 1.00 1.00 H new ATOM 0 HG2 PRO A 43 95.773 -2.766 -4.600 1.00 1.00 H new ATOM 0 HG3 PRO A 43 96.231 -2.280 -6.220 1.00 1.00 H new ATOM 0 HD2 PRO A 43 94.896 -0.587 -4.492 1.00 1.00 H new ATOM 0 HD3 PRO A 43 94.746 -0.452 -6.232 1.00 1.00 H new ATOM 673 N LYS A 44 91.575 -4.539 -4.413 1.00 1.00 N ATOM 674 CA LYS A 44 91.144 -5.353 -3.239 1.00 1.00 C ATOM 675 C LYS A 44 91.111 -4.470 -1.986 1.00 1.00 C ATOM 676 O LYS A 44 90.068 -3.999 -1.578 1.00 1.00 O ATOM 677 CB LYS A 44 92.122 -6.520 -3.037 1.00 1.00 C ATOM 678 CG LYS A 44 91.424 -7.651 -2.278 1.00 1.00 C ATOM 679 CD LYS A 44 91.256 -7.253 -0.811 1.00 1.00 C ATOM 680 CE LYS A 44 89.792 -6.900 -0.542 1.00 1.00 C ATOM 681 NZ LYS A 44 88.984 -8.151 -0.472 1.00 1.00 N ATOM 0 H LYS A 44 90.955 -4.587 -5.221 1.00 1.00 H new ATOM 0 HA LYS A 44 90.146 -5.752 -3.418 1.00 1.00 H new ATOM 0 HB2 LYS A 44 92.477 -6.881 -4.002 1.00 1.00 H new ATOM 0 HB3 LYS A 44 92.997 -6.182 -2.482 1.00 1.00 H new ATOM 0 HG2 LYS A 44 90.451 -7.856 -2.724 1.00 1.00 H new ATOM 0 HG3 LYS A 44 92.008 -8.568 -2.352 1.00 1.00 H new ATOM 0 HD2 LYS A 44 91.569 -8.072 -0.163 1.00 1.00 H new ATOM 0 HD3 LYS A 44 91.895 -6.401 -0.579 1.00 1.00 H new ATOM 0 HE2 LYS A 44 89.706 -6.346 0.393 1.00 1.00 H new ATOM 0 HE3 LYS A 44 89.412 -6.253 -1.332 1.00 1.00 H new ATOM 0 HZ1 LYS A 44 87.973 -7.910 -0.442 1.00 1.00 H new ATOM 0 HZ2 LYS A 44 89.176 -8.736 -1.310 1.00 1.00 H new ATOM 0 HZ3 LYS A 44 89.239 -8.681 0.386 1.00 1.00 H new ATOM 695 N LYS A 45 92.239 -4.243 -1.370 1.00 1.00 N ATOM 696 CA LYS A 45 92.263 -3.394 -0.147 1.00 1.00 C ATOM 697 C LYS A 45 91.514 -2.087 -0.419 1.00 1.00 C ATOM 698 O LYS A 45 91.464 -1.611 -1.536 1.00 1.00 O ATOM 699 CB LYS A 45 93.715 -3.085 0.231 1.00 1.00 C ATOM 700 CG LYS A 45 93.779 -2.639 1.693 1.00 1.00 C ATOM 701 CD LYS A 45 95.173 -2.089 1.999 1.00 1.00 C ATOM 702 CE LYS A 45 96.207 -3.206 1.849 1.00 1.00 C ATOM 703 NZ LYS A 45 97.452 -2.832 2.577 1.00 1.00 N ATOM 0 H LYS A 45 93.145 -4.609 -1.662 1.00 1.00 H new ATOM 0 HA LYS A 45 91.780 -3.924 0.674 1.00 1.00 H new ATOM 0 HB2 LYS A 45 94.336 -3.968 0.082 1.00 1.00 H new ATOM 0 HB3 LYS A 45 94.112 -2.303 -0.416 1.00 1.00 H new ATOM 0 HG2 LYS A 45 93.025 -1.875 1.884 1.00 1.00 H new ATOM 0 HG3 LYS A 45 93.556 -3.479 2.351 1.00 1.00 H new ATOM 0 HD2 LYS A 45 95.408 -1.268 1.322 1.00 1.00 H new ATOM 0 HD3 LYS A 45 95.202 -1.686 3.011 1.00 1.00 H new ATOM 0 HE2 LYS A 45 95.809 -4.140 2.245 1.00 1.00 H new ATOM 0 HE3 LYS A 45 96.426 -3.374 0.795 1.00 1.00 H new ATOM 0 HZ1 LYS A 45 98.155 -3.591 2.475 1.00 1.00 H new ATOM 0 HZ2 LYS A 45 97.835 -1.950 2.180 1.00 1.00 H new ATOM 0 HZ3 LYS A 45 97.236 -2.693 3.585 1.00 1.00 H new ATOM 717 N GLY A 46 90.932 -1.503 0.593 1.00 1.00 N ATOM 718 CA GLY A 46 90.186 -0.226 0.395 1.00 1.00 C ATOM 719 C GLY A 46 90.368 0.667 1.623 1.00 1.00 C ATOM 720 O GLY A 46 90.008 0.306 2.725 1.00 1.00 O ATOM 0 H GLY A 46 90.941 -1.855 1.550 1.00 1.00 H new ATOM 0 HA2 GLY A 46 90.549 0.285 -0.497 1.00 1.00 H new ATOM 0 HA3 GLY A 46 89.128 -0.432 0.236 1.00 1.00 H new ATOM 724 N VAL A 47 90.926 1.832 1.441 1.00 1.00 N ATOM 725 CA VAL A 47 91.133 2.749 2.597 1.00 1.00 C ATOM 726 C VAL A 47 89.775 3.241 3.107 1.00 1.00 C ATOM 727 O VAL A 47 88.960 2.469 3.571 1.00 1.00 O ATOM 728 CB VAL A 47 91.980 3.943 2.151 1.00 1.00 C ATOM 729 CG1 VAL A 47 93.444 3.515 2.032 1.00 1.00 C ATOM 730 CG2 VAL A 47 91.483 4.440 0.792 1.00 1.00 C ATOM 0 H VAL A 47 91.248 2.189 0.541 1.00 1.00 H new ATOM 0 HA VAL A 47 91.648 2.219 3.398 1.00 1.00 H new ATOM 0 HB VAL A 47 91.894 4.744 2.886 1.00 1.00 H new ATOM 0 HG11 VAL A 47 94.047 4.366 1.714 1.00 1.00 H new ATOM 0 HG12 VAL A 47 93.799 3.160 2.999 1.00 1.00 H new ATOM 0 HG13 VAL A 47 93.530 2.714 1.297 1.00 1.00 H new ATOM 0 HG21 VAL A 47 92.085 5.291 0.473 1.00 1.00 H new ATOM 0 HG22 VAL A 47 91.569 3.639 0.058 1.00 1.00 H new ATOM 0 HG23 VAL A 47 90.440 4.745 0.875 1.00 1.00 H new ATOM 740 N GLN A 48 89.525 4.520 3.026 1.00 1.00 N ATOM 741 CA GLN A 48 88.222 5.060 3.507 1.00 1.00 C ATOM 742 C GLN A 48 87.874 6.323 2.718 1.00 1.00 C ATOM 743 O GLN A 48 87.169 6.276 1.729 1.00 1.00 O ATOM 744 CB GLN A 48 88.329 5.405 4.994 1.00 1.00 C ATOM 745 CG GLN A 48 88.577 4.127 5.798 1.00 1.00 C ATOM 746 CD GLN A 48 88.354 4.409 7.286 1.00 1.00 C ATOM 747 OE1 GLN A 48 88.084 5.529 7.670 1.00 1.00 O ATOM 748 NE2 GLN A 48 88.456 3.431 8.144 1.00 1.00 N ATOM 0 H GLN A 48 90.168 5.215 2.647 1.00 1.00 H new ATOM 0 HA GLN A 48 87.443 4.311 3.362 1.00 1.00 H new ATOM 0 HB2 GLN A 48 89.142 6.113 5.156 1.00 1.00 H new ATOM 0 HB3 GLN A 48 87.413 5.888 5.333 1.00 1.00 H new ATOM 0 HG2 GLN A 48 87.905 3.337 5.462 1.00 1.00 H new ATOM 0 HG3 GLN A 48 89.594 3.772 5.633 1.00 1.00 H new ATOM 0 HE21 GLN A 48 88.683 2.491 7.821 1.00 1.00 H new ATOM 0 HE22 GLN A 48 88.309 3.607 9.138 1.00 1.00 H new ATOM 757 N GLY A 49 88.362 7.454 3.148 1.00 1.00 N ATOM 758 CA GLY A 49 88.059 8.721 2.424 1.00 1.00 C ATOM 759 C GLY A 49 86.633 9.167 2.751 1.00 1.00 C ATOM 760 O GLY A 49 85.787 8.367 3.098 1.00 1.00 O ATOM 0 H GLY A 49 88.958 7.556 3.970 1.00 1.00 H new ATOM 0 HA2 GLY A 49 88.769 9.496 2.713 1.00 1.00 H new ATOM 0 HA3 GLY A 49 88.168 8.573 1.350 1.00 1.00 H new ATOM 764 N CYS A 50 86.359 10.438 2.644 1.00 1.00 N ATOM 765 CA CYS A 50 84.987 10.932 2.949 1.00 1.00 C ATOM 766 C CYS A 50 84.572 10.459 4.344 1.00 1.00 C ATOM 767 O CYS A 50 83.406 10.451 4.686 1.00 1.00 O ATOM 768 CB CYS A 50 84.006 10.382 1.911 1.00 1.00 C ATOM 769 SG CYS A 50 82.473 11.343 1.960 1.00 1.00 S ATOM 0 H CYS A 50 87.026 11.155 2.359 1.00 1.00 H new ATOM 0 HA CYS A 50 84.977 12.022 2.918 1.00 1.00 H new ATOM 0 HB2 CYS A 50 84.447 10.432 0.916 1.00 1.00 H new ATOM 0 HB3 CYS A 50 83.796 9.332 2.114 1.00 1.00 H new ATOM 774 N GLY A 51 85.517 10.062 5.152 1.00 1.00 N ATOM 775 CA GLY A 51 85.175 9.589 6.524 1.00 1.00 C ATOM 776 C GLY A 51 84.711 10.773 7.374 1.00 1.00 C ATOM 777 O GLY A 51 84.389 10.627 8.536 1.00 1.00 O ATOM 0 H GLY A 51 86.511 10.045 4.922 1.00 1.00 H new ATOM 0 HA2 GLY A 51 84.390 8.834 6.474 1.00 1.00 H new ATOM 0 HA3 GLY A 51 86.043 9.116 6.984 1.00 1.00 H new ATOM 781 N ASP A 52 84.675 11.946 6.802 1.00 1.00 N ATOM 782 CA ASP A 52 84.233 13.141 7.576 1.00 1.00 C ATOM 783 C ASP A 52 83.660 14.185 6.613 1.00 1.00 C ATOM 784 O ASP A 52 84.388 14.905 5.959 1.00 1.00 O ATOM 785 CB ASP A 52 85.430 13.736 8.321 1.00 1.00 C ATOM 786 CG ASP A 52 84.952 14.858 9.245 1.00 1.00 C ATOM 787 OD1 ASP A 52 84.038 14.615 10.016 1.00 1.00 O ATOM 788 OD2 ASP A 52 85.507 15.941 9.165 1.00 1.00 O ATOM 0 H ASP A 52 84.933 12.128 5.832 1.00 1.00 H new ATOM 0 HA ASP A 52 83.467 12.849 8.295 1.00 1.00 H new ATOM 0 HB2 ASP A 52 85.932 12.962 8.902 1.00 1.00 H new ATOM 0 HB3 ASP A 52 86.159 14.123 7.609 1.00 1.00 H new ATOM 793 N ASP A 53 82.361 14.272 6.520 1.00 1.00 N ATOM 794 CA ASP A 53 81.745 15.269 5.599 1.00 1.00 C ATOM 795 C ASP A 53 80.234 15.324 5.843 1.00 1.00 C ATOM 796 O ASP A 53 79.784 15.630 6.929 1.00 1.00 O ATOM 797 CB ASP A 53 82.016 14.860 4.149 1.00 1.00 C ATOM 798 CG ASP A 53 81.397 15.891 3.204 1.00 1.00 C ATOM 799 OD1 ASP A 53 81.577 17.073 3.448 1.00 1.00 O ATOM 800 OD2 ASP A 53 80.753 15.482 2.252 1.00 1.00 O ATOM 0 H ASP A 53 81.700 13.696 7.042 1.00 1.00 H new ATOM 0 HA ASP A 53 82.178 16.252 5.785 1.00 1.00 H new ATOM 0 HB2 ASP A 53 83.090 14.789 3.974 1.00 1.00 H new ATOM 0 HB3 ASP A 53 81.596 13.873 3.954 1.00 1.00 H new ATOM 805 N ILE A 54 79.448 15.032 4.838 1.00 1.00 N ATOM 806 CA ILE A 54 77.964 15.067 5.006 1.00 1.00 C ATOM 807 C ILE A 54 77.424 13.625 5.007 1.00 1.00 C ATOM 808 O ILE A 54 77.549 12.913 4.031 1.00 1.00 O ATOM 809 CB ILE A 54 77.352 15.880 3.847 1.00 1.00 C ATOM 810 CG1 ILE A 54 76.010 16.467 4.291 1.00 1.00 C ATOM 811 CG2 ILE A 54 77.132 14.965 2.641 1.00 1.00 C ATOM 812 CD1 ILE A 54 74.975 15.346 4.404 1.00 1.00 C ATOM 0 H ILE A 54 79.771 14.770 3.907 1.00 1.00 H new ATOM 0 HA ILE A 54 77.695 15.540 5.950 1.00 1.00 H new ATOM 0 HB ILE A 54 78.031 16.687 3.572 1.00 1.00 H new ATOM 0 HG12 ILE A 54 76.121 16.972 5.251 1.00 1.00 H new ATOM 0 HG13 ILE A 54 75.674 17.216 3.574 1.00 1.00 H new ATOM 0 HG21 ILE A 54 76.699 15.540 1.822 1.00 1.00 H new ATOM 0 HG22 ILE A 54 78.086 14.544 2.325 1.00 1.00 H new ATOM 0 HG23 ILE A 54 76.453 14.158 2.916 1.00 1.00 H new ATOM 0 HD11 ILE A 54 74.019 15.764 4.720 1.00 1.00 H new ATOM 0 HD12 ILE A 54 74.856 14.861 3.435 1.00 1.00 H new ATOM 0 HD13 ILE A 54 75.311 14.613 5.138 1.00 1.00 H new ATOM 824 N PRO A 55 76.834 13.187 6.096 1.00 1.00 N ATOM 825 CA PRO A 55 76.280 11.807 6.198 1.00 1.00 C ATOM 826 C PRO A 55 74.919 11.661 5.502 1.00 1.00 C ATOM 827 O PRO A 55 73.916 11.387 6.131 1.00 1.00 O ATOM 828 CB PRO A 55 76.146 11.593 7.706 1.00 1.00 C ATOM 829 CG PRO A 55 75.911 12.958 8.265 1.00 1.00 C ATOM 830 CD PRO A 55 76.630 13.947 7.340 1.00 1.00 C ATOM 0 HA PRO A 55 76.919 11.074 5.705 1.00 1.00 H new ATOM 0 HB2 PRO A 55 75.319 10.922 7.939 1.00 1.00 H new ATOM 0 HB3 PRO A 55 77.047 11.144 8.124 1.00 1.00 H new ATOM 0 HG2 PRO A 55 74.844 13.178 8.312 1.00 1.00 H new ATOM 0 HG3 PRO A 55 76.296 13.030 9.282 1.00 1.00 H new ATOM 0 HD2 PRO A 55 76.030 14.841 7.168 1.00 1.00 H new ATOM 0 HD3 PRO A 55 77.577 14.276 7.767 1.00 1.00 H new ATOM 838 N GLY A 56 74.881 11.826 4.207 1.00 1.00 N ATOM 839 CA GLY A 56 73.591 11.678 3.470 1.00 1.00 C ATOM 840 C GLY A 56 72.860 13.021 3.394 1.00 1.00 C ATOM 841 O GLY A 56 72.133 13.397 4.292 1.00 1.00 O ATOM 0 H GLY A 56 75.687 12.057 3.627 1.00 1.00 H new ATOM 0 HA2 GLY A 56 73.781 11.303 2.464 1.00 1.00 H new ATOM 0 HA3 GLY A 56 72.962 10.942 3.971 1.00 1.00 H new ATOM 845 N MET A 57 73.040 13.742 2.320 1.00 1.00 N ATOM 846 CA MET A 57 72.349 15.057 2.171 1.00 1.00 C ATOM 847 C MET A 57 70.834 14.858 2.298 1.00 1.00 C ATOM 848 O MET A 57 70.070 15.799 2.215 1.00 1.00 O ATOM 849 CB MET A 57 72.672 15.650 0.793 1.00 1.00 C ATOM 850 CG MET A 57 73.914 16.537 0.896 1.00 1.00 C ATOM 851 SD MET A 57 73.509 18.039 1.821 1.00 1.00 S ATOM 852 CE MET A 57 74.728 19.123 1.039 1.00 1.00 C ATOM 0 H MET A 57 73.637 13.477 1.537 1.00 1.00 H new ATOM 0 HA MET A 57 72.692 15.737 2.951 1.00 1.00 H new ATOM 0 HB2 MET A 57 72.842 14.850 0.072 1.00 1.00 H new ATOM 0 HB3 MET A 57 71.826 16.232 0.429 1.00 1.00 H new ATOM 0 HG2 MET A 57 74.719 15.997 1.394 1.00 1.00 H new ATOM 0 HG3 MET A 57 74.272 16.796 -0.100 1.00 1.00 H new ATOM 0 HE1 MET A 57 74.654 20.123 1.467 1.00 1.00 H new ATOM 0 HE2 MET A 57 75.729 18.728 1.211 1.00 1.00 H new ATOM 0 HE3 MET A 57 74.536 19.172 -0.033 1.00 1.00 H new ATOM 862 N GLU A 58 70.395 13.642 2.495 1.00 1.00 N ATOM 863 CA GLU A 58 68.929 13.383 2.623 1.00 1.00 C ATOM 864 C GLU A 58 68.661 12.563 3.887 1.00 1.00 C ATOM 865 O GLU A 58 67.669 12.754 4.563 1.00 1.00 O ATOM 866 CB GLU A 58 68.446 12.601 1.400 1.00 1.00 C ATOM 867 CG GLU A 58 66.918 12.522 1.415 1.00 1.00 C ATOM 868 CD GLU A 58 66.438 11.688 0.225 1.00 1.00 C ATOM 869 OE1 GLU A 58 67.264 11.022 -0.377 1.00 1.00 O ATOM 870 OE2 GLU A 58 65.253 11.730 -0.063 1.00 1.00 O ATOM 0 H GLU A 58 70.989 12.816 2.573 1.00 1.00 H new ATOM 0 HA GLU A 58 68.396 14.332 2.687 1.00 1.00 H new ATOM 0 HB2 GLU A 58 68.787 13.088 0.486 1.00 1.00 H new ATOM 0 HB3 GLU A 58 68.873 11.598 1.405 1.00 1.00 H new ATOM 0 HG2 GLU A 58 66.576 12.074 2.348 1.00 1.00 H new ATOM 0 HG3 GLU A 58 66.491 13.524 1.366 1.00 1.00 H new ATOM 877 N GLY A 59 69.535 11.650 4.212 1.00 1.00 N ATOM 878 CA GLY A 59 69.327 10.817 5.432 1.00 1.00 C ATOM 879 C GLY A 59 68.548 9.555 5.058 1.00 1.00 C ATOM 880 O GLY A 59 68.228 8.738 5.899 1.00 1.00 O ATOM 0 H GLY A 59 70.384 11.444 3.686 1.00 1.00 H new ATOM 0 HA2 GLY A 59 70.288 10.548 5.870 1.00 1.00 H new ATOM 0 HA3 GLY A 59 68.781 11.385 6.185 1.00 1.00 H new ATOM 884 N CYS A 60 68.242 9.387 3.800 1.00 1.00 N ATOM 885 CA CYS A 60 67.486 8.177 3.370 1.00 1.00 C ATOM 886 C CYS A 60 66.098 8.187 4.015 1.00 1.00 C ATOM 887 O CYS A 60 65.566 9.227 4.350 1.00 1.00 O ATOM 888 CB CYS A 60 68.246 6.921 3.804 1.00 1.00 C ATOM 889 SG CYS A 60 70.025 7.251 3.767 1.00 1.00 S ATOM 0 H CYS A 60 68.483 10.036 3.051 1.00 1.00 H new ATOM 0 HA CYS A 60 67.380 8.179 2.285 1.00 1.00 H new ATOM 0 HB2 CYS A 60 67.941 6.627 4.808 1.00 1.00 H new ATOM 0 HB3 CYS A 60 68.005 6.090 3.141 1.00 1.00 H new ATOM 894 N GLY A 61 65.506 7.036 4.191 1.00 1.00 N ATOM 895 CA GLY A 61 64.152 6.979 4.814 1.00 1.00 C ATOM 896 C GLY A 61 64.290 6.784 6.324 1.00 1.00 C ATOM 897 O GLY A 61 64.336 7.734 7.080 1.00 1.00 O ATOM 0 H GLY A 61 65.902 6.133 3.930 1.00 1.00 H new ATOM 0 HA2 GLY A 61 63.605 7.898 4.604 1.00 1.00 H new ATOM 0 HA3 GLY A 61 63.576 6.160 4.383 1.00 1.00 H new ATOM 901 N THR A 62 64.357 5.559 6.770 1.00 1.00 N ATOM 902 CA THR A 62 64.492 5.300 8.233 1.00 1.00 C ATOM 903 C THR A 62 65.346 4.049 8.449 1.00 1.00 C ATOM 904 O THR A 62 66.432 4.113 8.992 1.00 1.00 O ATOM 905 CB THR A 62 63.105 5.084 8.844 1.00 1.00 C ATOM 906 OG1 THR A 62 62.690 3.746 8.611 1.00 1.00 O ATOM 907 CG2 THR A 62 62.107 6.049 8.203 1.00 1.00 C ATOM 0 H THR A 62 64.324 4.725 6.184 1.00 1.00 H new ATOM 0 HA THR A 62 64.969 6.155 8.712 1.00 1.00 H new ATOM 0 HB THR A 62 63.148 5.270 9.917 1.00 1.00 H new ATOM 0 HG1 THR A 62 61.803 3.606 9.003 1.00 1.00 H new ATOM 0 HG21 THR A 62 61.120 5.894 8.639 1.00 1.00 H new ATOM 0 HG22 THR A 62 62.426 7.075 8.383 1.00 1.00 H new ATOM 0 HG23 THR A 62 62.062 5.866 7.129 1.00 1.00 H new ATOM 915 N ASP A 63 64.868 2.910 8.025 1.00 1.00 N ATOM 916 CA ASP A 63 65.659 1.660 8.205 1.00 1.00 C ATOM 917 C ASP A 63 66.963 1.773 7.415 1.00 1.00 C ATOM 918 O ASP A 63 67.761 0.857 7.380 1.00 1.00 O ATOM 919 CB ASP A 63 64.851 0.465 7.691 1.00 1.00 C ATOM 920 CG ASP A 63 64.382 0.742 6.261 1.00 1.00 C ATOM 921 OD1 ASP A 63 64.218 1.903 5.927 1.00 1.00 O ATOM 922 OD2 ASP A 63 64.196 -0.213 5.525 1.00 1.00 O ATOM 0 H ASP A 63 63.966 2.792 7.563 1.00 1.00 H new ATOM 0 HA ASP A 63 65.882 1.516 9.262 1.00 1.00 H new ATOM 0 HB2 ASP A 63 65.461 -0.438 7.716 1.00 1.00 H new ATOM 0 HB3 ASP A 63 63.992 0.288 8.339 1.00 1.00 H new ATOM 927 N ILE A 64 67.183 2.895 6.781 1.00 1.00 N ATOM 928 CA ILE A 64 68.433 3.085 5.988 1.00 1.00 C ATOM 929 C ILE A 64 69.053 4.435 6.350 1.00 1.00 C ATOM 930 O ILE A 64 69.600 5.124 5.513 1.00 1.00 O ATOM 931 CB ILE A 64 68.099 3.066 4.491 1.00 1.00 C ATOM 932 CG1 ILE A 64 67.233 1.843 4.179 1.00 1.00 C ATOM 933 CG2 ILE A 64 69.394 2.993 3.679 1.00 1.00 C ATOM 934 CD1 ILE A 64 66.672 1.964 2.761 1.00 1.00 C ATOM 0 H ILE A 64 66.547 3.692 6.779 1.00 1.00 H new ATOM 0 HA ILE A 64 69.135 2.282 6.213 1.00 1.00 H new ATOM 0 HB ILE A 64 67.557 3.974 4.228 1.00 1.00 H new ATOM 0 HG12 ILE A 64 67.825 0.932 4.271 1.00 1.00 H new ATOM 0 HG13 ILE A 64 66.418 1.768 4.899 1.00 1.00 H new ATOM 0 HG21 ILE A 64 69.156 2.979 2.615 1.00 1.00 H new ATOM 0 HG22 ILE A 64 70.013 3.862 3.902 1.00 1.00 H new ATOM 0 HG23 ILE A 64 69.937 2.085 3.941 1.00 1.00 H new ATOM 0 HD11 ILE A 64 66.055 1.093 2.538 1.00 1.00 H new ATOM 0 HD12 ILE A 64 66.066 2.867 2.685 1.00 1.00 H new ATOM 0 HD13 ILE A 64 67.494 2.018 2.048 1.00 1.00 H new ATOM 946 N THR A 65 68.974 4.821 7.593 1.00 1.00 N ATOM 947 CA THR A 65 69.560 6.122 8.003 1.00 1.00 C ATOM 948 C THR A 65 71.070 5.953 8.153 1.00 1.00 C ATOM 949 O THR A 65 71.588 5.833 9.246 1.00 1.00 O ATOM 950 CB THR A 65 68.945 6.562 9.338 1.00 1.00 C ATOM 951 OG1 THR A 65 67.577 6.181 9.375 1.00 1.00 O ATOM 952 CG2 THR A 65 69.058 8.081 9.478 1.00 1.00 C ATOM 0 H THR A 65 68.528 4.290 8.341 1.00 1.00 H new ATOM 0 HA THR A 65 69.350 6.883 7.251 1.00 1.00 H new ATOM 0 HB THR A 65 69.478 6.084 10.160 1.00 1.00 H new ATOM 0 HG1 THR A 65 67.508 5.234 9.618 1.00 1.00 H new ATOM 0 HG21 THR A 65 68.621 8.392 10.427 1.00 1.00 H new ATOM 0 HG22 THR A 65 70.108 8.372 9.449 1.00 1.00 H new ATOM 0 HG23 THR A 65 68.526 8.563 8.658 1.00 1.00 H new ATOM 960 N VAL A 66 71.780 5.936 7.059 1.00 1.00 N ATOM 961 CA VAL A 66 73.258 5.771 7.129 1.00 1.00 C ATOM 962 C VAL A 66 73.589 4.344 7.577 1.00 1.00 C ATOM 963 O VAL A 66 74.692 3.867 7.397 1.00 1.00 O ATOM 964 CB VAL A 66 73.842 6.779 8.131 1.00 1.00 C ATOM 965 CG1 VAL A 66 75.276 7.127 7.729 1.00 1.00 C ATOM 966 CG2 VAL A 66 72.990 8.050 8.128 1.00 1.00 C ATOM 0 H VAL A 66 71.399 6.030 6.118 1.00 1.00 H new ATOM 0 HA VAL A 66 73.692 5.951 6.146 1.00 1.00 H new ATOM 0 HB VAL A 66 73.841 6.341 9.129 1.00 1.00 H new ATOM 0 HG11 VAL A 66 75.690 7.842 8.440 1.00 1.00 H new ATOM 0 HG12 VAL A 66 75.884 6.222 7.729 1.00 1.00 H new ATOM 0 HG13 VAL A 66 75.278 7.565 6.731 1.00 1.00 H new ATOM 0 HG21 VAL A 66 73.403 8.766 8.838 1.00 1.00 H new ATOM 0 HG22 VAL A 66 72.992 8.487 7.129 1.00 1.00 H new ATOM 0 HG23 VAL A 66 71.968 7.803 8.414 1.00 1.00 H new ATOM 976 N ILE A 67 72.639 3.659 8.159 1.00 1.00 N ATOM 977 CA ILE A 67 72.889 2.261 8.618 1.00 1.00 C ATOM 978 C ILE A 67 71.713 1.376 8.206 1.00 1.00 C ATOM 979 O ILE A 67 70.619 1.503 8.719 1.00 1.00 O ATOM 980 CB ILE A 67 73.033 2.239 10.141 1.00 1.00 C ATOM 981 CG1 ILE A 67 74.154 3.193 10.560 1.00 1.00 C ATOM 982 CG2 ILE A 67 73.374 0.821 10.602 1.00 1.00 C ATOM 983 CD1 ILE A 67 74.193 3.297 12.086 1.00 1.00 C ATOM 0 H ILE A 67 71.698 4.009 8.337 1.00 1.00 H new ATOM 0 HA ILE A 67 73.806 1.887 8.163 1.00 1.00 H new ATOM 0 HB ILE A 67 72.095 2.554 10.599 1.00 1.00 H new ATOM 0 HG12 ILE A 67 75.112 2.832 10.185 1.00 1.00 H new ATOM 0 HG13 ILE A 67 73.991 4.178 10.122 1.00 1.00 H new ATOM 0 HG21 ILE A 67 73.476 0.806 11.687 1.00 1.00 H new ATOM 0 HG22 ILE A 67 72.577 0.140 10.303 1.00 1.00 H new ATOM 0 HG23 ILE A 67 74.312 0.505 10.145 1.00 1.00 H new ATOM 0 HD11 ILE A 67 74.991 3.976 12.384 1.00 1.00 H new ATOM 0 HD12 ILE A 67 73.238 3.677 12.449 1.00 1.00 H new ATOM 0 HD13 ILE A 67 74.377 2.311 12.513 1.00 1.00 H new ATOM 995 N CYS A 68 71.931 0.479 7.283 1.00 1.00 N ATOM 996 CA CYS A 68 70.832 -0.421 6.830 1.00 1.00 C ATOM 997 C CYS A 68 71.118 -1.846 7.314 1.00 1.00 C ATOM 998 O CYS A 68 72.252 -2.209 7.557 1.00 1.00 O ATOM 999 CB CYS A 68 70.756 -0.386 5.296 1.00 1.00 C ATOM 1000 SG CYS A 68 70.604 -2.072 4.655 1.00 1.00 S ATOM 0 H CYS A 68 72.828 0.330 6.821 1.00 1.00 H new ATOM 0 HA CYS A 68 69.879 -0.090 7.243 1.00 1.00 H new ATOM 0 HB2 CYS A 68 69.902 0.213 4.978 1.00 1.00 H new ATOM 0 HB3 CYS A 68 71.648 0.089 4.889 1.00 1.00 H new ATOM 1005 N PRO A 69 70.096 -2.649 7.462 1.00 1.00 N ATOM 1006 CA PRO A 69 70.243 -4.057 7.935 1.00 1.00 C ATOM 1007 C PRO A 69 71.266 -4.840 7.104 1.00 1.00 C ATOM 1008 O PRO A 69 72.047 -5.608 7.627 1.00 1.00 O ATOM 1009 CB PRO A 69 68.835 -4.662 7.782 1.00 1.00 C ATOM 1010 CG PRO A 69 68.044 -3.680 6.979 1.00 1.00 C ATOM 1011 CD PRO A 69 68.693 -2.312 7.190 1.00 1.00 C ATOM 0 HA PRO A 69 70.612 -4.099 8.960 1.00 1.00 H new ATOM 0 HB2 PRO A 69 68.879 -5.629 7.281 1.00 1.00 H new ATOM 0 HB3 PRO A 69 68.375 -4.829 8.756 1.00 1.00 H new ATOM 0 HG2 PRO A 69 68.048 -3.951 5.923 1.00 1.00 H new ATOM 0 HG3 PRO A 69 67.003 -3.668 7.301 1.00 1.00 H new ATOM 0 HD2 PRO A 69 68.594 -1.678 6.309 1.00 1.00 H new ATOM 0 HD3 PRO A 69 68.239 -1.774 8.022 1.00 1.00 H new ATOM 1019 N TRP A 70 71.264 -4.651 5.813 1.00 1.00 N ATOM 1020 CA TRP A 70 72.234 -5.384 4.952 1.00 1.00 C ATOM 1021 C TRP A 70 73.623 -4.751 5.081 1.00 1.00 C ATOM 1022 O TRP A 70 74.533 -5.081 4.348 1.00 1.00 O ATOM 1023 CB TRP A 70 71.777 -5.314 3.493 1.00 1.00 C ATOM 1024 CG TRP A 70 70.302 -5.547 3.420 1.00 1.00 C ATOM 1025 CD1 TRP A 70 69.575 -6.218 4.343 1.00 1.00 C ATOM 1026 CD2 TRP A 70 69.363 -5.125 2.388 1.00 1.00 C ATOM 1027 NE1 TRP A 70 68.252 -6.235 3.945 1.00 1.00 N ATOM 1028 CE2 TRP A 70 68.069 -5.574 2.747 1.00 1.00 C ATOM 1029 CE3 TRP A 70 69.506 -4.404 1.190 1.00 1.00 C ATOM 1030 CZ2 TRP A 70 66.956 -5.315 1.942 1.00 1.00 C ATOM 1031 CZ3 TRP A 70 68.392 -4.142 0.380 1.00 1.00 C ATOM 1032 CH2 TRP A 70 67.120 -4.596 0.753 1.00 1.00 C ATOM 0 H TRP A 70 70.633 -4.021 5.318 1.00 1.00 H new ATOM 0 HA TRP A 70 72.281 -6.425 5.271 1.00 1.00 H new ATOM 0 HB2 TRP A 70 72.023 -4.340 3.070 1.00 1.00 H new ATOM 0 HB3 TRP A 70 72.304 -6.061 2.900 1.00 1.00 H new ATOM 0 HD1 TRP A 70 69.965 -6.667 5.244 1.00 1.00 H new ATOM 0 HE1 TRP A 70 67.502 -6.682 4.472 1.00 1.00 H new ATOM 0 HE3 TRP A 70 70.481 -4.049 0.891 1.00 1.00 H new ATOM 0 HZ2 TRP A 70 65.978 -5.667 2.235 1.00 1.00 H new ATOM 0 HZ3 TRP A 70 68.515 -3.586 -0.538 1.00 1.00 H new ATOM 0 HH2 TRP A 70 66.267 -4.391 0.123 1.00 1.00 H new ATOM 1043 N GLU A 71 73.796 -3.845 6.007 1.00 1.00 N ATOM 1044 CA GLU A 71 75.130 -3.199 6.172 1.00 1.00 C ATOM 1045 C GLU A 71 75.253 -2.616 7.582 1.00 1.00 C ATOM 1046 O GLU A 71 75.332 -1.417 7.762 1.00 1.00 O ATOM 1047 CB GLU A 71 75.288 -2.076 5.144 1.00 1.00 C ATOM 1048 CG GLU A 71 74.021 -1.218 5.125 1.00 1.00 C ATOM 1049 CD GLU A 71 74.321 0.120 4.448 1.00 1.00 C ATOM 1050 OE1 GLU A 71 74.767 0.101 3.313 1.00 1.00 O ATOM 1051 OE2 GLU A 71 74.099 1.142 5.076 1.00 1.00 O ATOM 0 H GLU A 71 73.074 -3.526 6.653 1.00 1.00 H new ATOM 0 HA GLU A 71 75.909 -3.946 6.020 1.00 1.00 H new ATOM 0 HB2 GLU A 71 76.153 -1.461 5.392 1.00 1.00 H new ATOM 0 HB3 GLU A 71 75.470 -2.497 4.155 1.00 1.00 H new ATOM 0 HG2 GLU A 71 73.225 -1.737 4.591 1.00 1.00 H new ATOM 0 HG3 GLU A 71 73.666 -1.052 6.142 1.00 1.00 H new ATOM 1058 N ALA A 72 75.276 -3.452 8.584 1.00 1.00 N ATOM 1059 CA ALA A 72 75.400 -2.935 9.977 1.00 1.00 C ATOM 1060 C ALA A 72 76.843 -2.486 10.222 1.00 1.00 C ATOM 1061 O ALA A 72 77.777 -3.046 9.684 1.00 1.00 O ATOM 1062 CB ALA A 72 75.028 -4.041 10.969 1.00 1.00 C ATOM 0 H ALA A 72 75.215 -4.467 8.499 1.00 1.00 H new ATOM 0 HA ALA A 72 74.727 -2.089 10.115 1.00 1.00 H new ATOM 0 HB1 ALA A 72 75.119 -3.662 11.987 1.00 1.00 H new ATOM 0 HB2 ALA A 72 74.001 -4.359 10.791 1.00 1.00 H new ATOM 0 HB3 ALA A 72 75.699 -4.890 10.836 1.00 1.00 H new ATOM 1068 N CYS A 73 77.032 -1.477 11.027 1.00 1.00 N ATOM 1069 CA CYS A 73 78.413 -0.990 11.302 1.00 1.00 C ATOM 1070 C CYS A 73 79.076 -1.888 12.351 1.00 1.00 C ATOM 1071 O CYS A 73 79.589 -1.419 13.346 1.00 1.00 O ATOM 1072 CB CYS A 73 78.348 0.449 11.824 1.00 1.00 C ATOM 1073 SG CYS A 73 79.835 1.345 11.311 1.00 1.00 S ATOM 0 H CYS A 73 76.289 -0.968 11.507 1.00 1.00 H new ATOM 0 HA CYS A 73 78.999 -1.019 10.383 1.00 1.00 H new ATOM 0 HB2 CYS A 73 77.459 0.947 11.438 1.00 1.00 H new ATOM 0 HB3 CYS A 73 78.267 0.450 12.911 1.00 1.00 H new ATOM 1078 N ASN A 74 79.071 -3.178 12.141 1.00 1.00 N ATOM 1079 CA ASN A 74 79.704 -4.089 13.139 1.00 1.00 C ATOM 1080 C ASN A 74 80.011 -5.447 12.499 1.00 1.00 C ATOM 1081 O ASN A 74 80.017 -6.463 13.165 1.00 1.00 O ATOM 1082 CB ASN A 74 78.749 -4.293 14.318 1.00 1.00 C ATOM 1083 CG ASN A 74 78.737 -3.035 15.189 1.00 1.00 C ATOM 1084 OD1 ASN A 74 77.697 -2.449 15.415 1.00 1.00 O ATOM 1085 ND2 ASN A 74 79.857 -2.593 15.691 1.00 1.00 N ATOM 0 H ASN A 74 78.660 -3.637 11.328 1.00 1.00 H new ATOM 0 HA ASN A 74 80.635 -3.640 13.486 1.00 1.00 H new ATOM 0 HB2 ASN A 74 77.744 -4.505 13.953 1.00 1.00 H new ATOM 0 HB3 ASN A 74 79.062 -5.154 14.909 1.00 1.00 H new ATOM 0 HD21 ASN A 74 79.860 -1.755 16.273 1.00 1.00 H new ATOM 0 HD22 ASN A 74 80.730 -3.085 15.501 1.00 1.00 H new ATOM 1092 N HIS A 75 80.272 -5.480 11.221 1.00 1.00 N ATOM 1093 CA HIS A 75 80.582 -6.785 10.567 1.00 1.00 C ATOM 1094 C HIS A 75 81.080 -6.549 9.140 1.00 1.00 C ATOM 1095 O HIS A 75 81.694 -7.409 8.539 1.00 1.00 O ATOM 1096 CB HIS A 75 79.324 -7.655 10.532 1.00 1.00 C ATOM 1097 CG HIS A 75 78.276 -6.988 9.684 1.00 1.00 C ATOM 1098 ND1 HIS A 75 78.535 -6.559 8.391 1.00 1.00 N ATOM 1099 CD2 HIS A 75 76.962 -6.669 9.930 1.00 1.00 C ATOM 1100 CE1 HIS A 75 77.404 -6.011 7.910 1.00 1.00 C ATOM 1101 NE2 HIS A 75 76.418 -6.053 8.808 1.00 1.00 N ATOM 0 H HIS A 75 80.284 -4.667 10.605 1.00 1.00 H new ATOM 0 HA HIS A 75 81.359 -7.293 11.138 1.00 1.00 H new ATOM 0 HB2 HIS A 75 79.561 -8.639 10.129 1.00 1.00 H new ATOM 0 HB3 HIS A 75 78.946 -7.807 11.543 1.00 1.00 H new ATOM 0 HD1 HIS A 75 79.422 -6.644 7.895 1.00 1.00 H new ATOM 0 HD2 HIS A 75 76.434 -6.866 10.851 1.00 1.00 H new ATOM 0 HE1 HIS A 75 77.307 -5.590 6.920 1.00 1.00 H new ATOM 1110 N CYS A 76 80.821 -5.395 8.587 1.00 1.00 N ATOM 1111 CA CYS A 76 81.282 -5.117 7.197 1.00 1.00 C ATOM 1112 C CYS A 76 82.676 -4.487 7.238 1.00 1.00 C ATOM 1113 O CYS A 76 83.490 -4.699 6.362 1.00 1.00 O ATOM 1114 CB CYS A 76 80.298 -4.162 6.515 1.00 1.00 C ATOM 1115 SG CYS A 76 80.621 -2.466 7.058 1.00 1.00 S ATOM 0 H CYS A 76 80.311 -4.634 9.037 1.00 1.00 H new ATOM 0 HA CYS A 76 81.327 -6.049 6.633 1.00 1.00 H new ATOM 0 HB2 CYS A 76 80.398 -4.233 5.432 1.00 1.00 H new ATOM 0 HB3 CYS A 76 79.274 -4.444 6.759 1.00 1.00 H new ATOM 1120 N GLU A 77 82.960 -3.717 8.254 1.00 1.00 N ATOM 1121 CA GLU A 77 84.304 -3.080 8.353 1.00 1.00 C ATOM 1122 C GLU A 77 85.344 -4.144 8.710 1.00 1.00 C ATOM 1123 O GLU A 77 86.484 -3.839 9.002 1.00 1.00 O ATOM 1124 CB GLU A 77 84.280 -2.004 9.441 1.00 1.00 C ATOM 1125 CG GLU A 77 83.916 -2.641 10.783 1.00 1.00 C ATOM 1126 CD GLU A 77 83.557 -1.546 11.789 1.00 1.00 C ATOM 1127 OE1 GLU A 77 84.468 -0.995 12.385 1.00 1.00 O ATOM 1128 OE2 GLU A 77 82.377 -1.276 11.945 1.00 1.00 O ATOM 0 H GLU A 77 82.320 -3.502 9.019 1.00 1.00 H new ATOM 0 HA GLU A 77 84.563 -2.623 7.398 1.00 1.00 H new ATOM 0 HB2 GLU A 77 85.254 -1.519 9.509 1.00 1.00 H new ATOM 0 HB3 GLU A 77 83.556 -1.230 9.186 1.00 1.00 H new ATOM 0 HG2 GLU A 77 83.075 -3.323 10.657 1.00 1.00 H new ATOM 0 HG3 GLU A 77 84.753 -3.232 11.156 1.00 1.00 H new ATOM 1135 N LEU A 78 84.960 -5.393 8.688 1.00 1.00 N ATOM 1136 CA LEU A 78 85.924 -6.481 9.026 1.00 1.00 C ATOM 1137 C LEU A 78 85.627 -7.703 8.148 1.00 1.00 C ATOM 1138 O LEU A 78 84.802 -8.531 8.477 1.00 1.00 O ATOM 1139 CB LEU A 78 85.768 -6.851 10.513 1.00 1.00 C ATOM 1140 CG LEU A 78 87.142 -7.128 11.125 1.00 1.00 C ATOM 1141 CD1 LEU A 78 87.960 -8.001 10.171 1.00 1.00 C ATOM 1142 CD2 LEU A 78 87.873 -5.803 11.354 1.00 1.00 C ATOM 0 H LEU A 78 84.019 -5.707 8.450 1.00 1.00 H new ATOM 0 HA LEU A 78 86.946 -6.147 8.845 1.00 1.00 H new ATOM 0 HB2 LEU A 78 85.278 -6.039 11.050 1.00 1.00 H new ATOM 0 HB3 LEU A 78 85.131 -7.730 10.614 1.00 1.00 H new ATOM 0 HG LEU A 78 87.018 -7.646 12.076 1.00 1.00 H new ATOM 0 HD11 LEU A 78 88.939 -8.198 10.607 1.00 1.00 H new ATOM 0 HD12 LEU A 78 87.440 -8.944 10.005 1.00 1.00 H new ATOM 0 HD13 LEU A 78 88.084 -7.483 9.220 1.00 1.00 H new ATOM 0 HD21 LEU A 78 88.853 -5.999 11.790 1.00 1.00 H new ATOM 0 HD22 LEU A 78 87.996 -5.286 10.402 1.00 1.00 H new ATOM 0 HD23 LEU A 78 87.292 -5.179 12.033 1.00 1.00 H new ATOM 1154 N HIS A 79 86.295 -7.819 7.032 1.00 1.00 N ATOM 1155 CA HIS A 79 86.056 -8.985 6.131 1.00 1.00 C ATOM 1156 C HIS A 79 86.863 -8.800 4.843 1.00 1.00 C ATOM 1157 O HIS A 79 87.245 -7.701 4.490 1.00 1.00 O ATOM 1158 CB HIS A 79 84.559 -9.081 5.794 1.00 1.00 C ATOM 1159 CG HIS A 79 83.915 -10.127 6.662 1.00 1.00 C ATOM 1160 ND1 HIS A 79 82.790 -9.862 7.428 1.00 1.00 N ATOM 1161 CD2 HIS A 79 84.226 -11.445 6.894 1.00 1.00 C ATOM 1162 CE1 HIS A 79 82.466 -10.992 8.081 1.00 1.00 C ATOM 1163 NE2 HIS A 79 83.309 -11.985 7.791 1.00 1.00 N ATOM 0 H HIS A 79 86.997 -7.156 6.704 1.00 1.00 H new ATOM 0 HA HIS A 79 86.369 -9.902 6.630 1.00 1.00 H new ATOM 0 HB2 HIS A 79 84.077 -8.116 5.951 1.00 1.00 H new ATOM 0 HB3 HIS A 79 84.428 -9.335 4.742 1.00 1.00 H new ATOM 0 HD1 HIS A 79 82.297 -8.971 7.486 1.00 1.00 H new ATOM 0 HD2 HIS A 79 85.053 -11.979 6.450 1.00 1.00 H new ATOM 0 HE1 HIS A 79 81.628 -11.084 8.756 1.00 1.00 H new ATOM 1172 N GLU A 80 87.124 -9.866 4.137 1.00 1.00 N ATOM 1173 CA GLU A 80 87.904 -9.751 2.873 1.00 1.00 C ATOM 1174 C GLU A 80 86.982 -9.274 1.749 1.00 1.00 C ATOM 1175 O GLU A 80 86.458 -8.178 1.789 1.00 1.00 O ATOM 1176 CB GLU A 80 88.494 -11.118 2.515 1.00 1.00 C ATOM 1177 CG GLU A 80 89.635 -11.450 3.479 1.00 1.00 C ATOM 1178 CD GLU A 80 90.851 -10.583 3.149 1.00 1.00 C ATOM 1179 OE1 GLU A 80 91.536 -10.899 2.191 1.00 1.00 O ATOM 1180 OE2 GLU A 80 91.077 -9.618 3.861 1.00 1.00 O ATOM 0 H GLU A 80 86.831 -10.812 4.381 1.00 1.00 H new ATOM 0 HA GLU A 80 88.713 -9.032 3.004 1.00 1.00 H new ATOM 0 HB2 GLU A 80 87.722 -11.885 2.571 1.00 1.00 H new ATOM 0 HB3 GLU A 80 88.861 -11.110 1.489 1.00 1.00 H new ATOM 0 HG2 GLU A 80 89.319 -11.275 4.507 1.00 1.00 H new ATOM 0 HG3 GLU A 80 89.896 -12.505 3.401 1.00 1.00 H new ATOM 1187 N LEU A 81 86.775 -10.084 0.747 1.00 1.00 N ATOM 1188 CA LEU A 81 85.883 -9.669 -0.374 1.00 1.00 C ATOM 1189 C LEU A 81 84.449 -10.110 -0.073 1.00 1.00 C ATOM 1190 O LEU A 81 83.527 -9.796 -0.799 1.00 1.00 O ATOM 1191 CB LEU A 81 86.365 -10.306 -1.686 1.00 1.00 C ATOM 1192 CG LEU A 81 85.980 -11.786 -1.715 1.00 1.00 C ATOM 1193 CD1 LEU A 81 86.473 -12.417 -3.018 1.00 1.00 C ATOM 1194 CD2 LEU A 81 86.626 -12.503 -0.527 1.00 1.00 C ATOM 0 H LEU A 81 87.184 -11.014 0.656 1.00 1.00 H new ATOM 0 HA LEU A 81 85.911 -8.584 -0.478 1.00 1.00 H new ATOM 0 HB2 LEU A 81 85.921 -9.789 -2.537 1.00 1.00 H new ATOM 0 HB3 LEU A 81 87.446 -10.200 -1.777 1.00 1.00 H new ATOM 0 HG LEU A 81 84.896 -11.880 -1.653 1.00 1.00 H new ATOM 0 HD11 LEU A 81 86.198 -13.472 -3.038 1.00 1.00 H new ATOM 0 HD12 LEU A 81 86.015 -11.907 -3.865 1.00 1.00 H new ATOM 0 HD13 LEU A 81 87.557 -12.323 -3.080 1.00 1.00 H new ATOM 0 HD21 LEU A 81 86.353 -13.558 -0.546 1.00 1.00 H new ATOM 0 HD22 LEU A 81 87.710 -12.408 -0.590 1.00 1.00 H new ATOM 0 HD23 LEU A 81 86.276 -12.054 0.403 1.00 1.00 H new ATOM 1206 N ALA A 82 84.257 -10.837 0.991 1.00 1.00 N ATOM 1207 CA ALA A 82 82.885 -11.301 1.340 1.00 1.00 C ATOM 1208 C ALA A 82 81.986 -10.093 1.615 1.00 1.00 C ATOM 1209 O ALA A 82 81.825 -9.228 0.778 1.00 1.00 O ATOM 1210 CB ALA A 82 82.949 -12.183 2.588 1.00 1.00 C ATOM 0 H ALA A 82 84.991 -11.131 1.635 1.00 1.00 H new ATOM 0 HA ALA A 82 82.475 -11.874 0.508 1.00 1.00 H new ATOM 0 HB1 ALA A 82 81.946 -12.523 2.845 1.00 1.00 H new ATOM 0 HB2 ALA A 82 83.586 -13.046 2.392 1.00 1.00 H new ATOM 0 HB3 ALA A 82 83.361 -11.609 3.418 1.00 1.00 H new ATOM 1216 N GLN A 83 81.401 -10.036 2.788 1.00 1.00 N ATOM 1217 CA GLN A 83 80.498 -8.897 3.154 1.00 1.00 C ATOM 1218 C GLN A 83 79.913 -8.242 1.897 1.00 1.00 C ATOM 1219 O GLN A 83 79.877 -7.034 1.774 1.00 1.00 O ATOM 1220 CB GLN A 83 81.266 -7.849 3.977 1.00 1.00 C ATOM 1221 CG GLN A 83 82.614 -7.556 3.315 1.00 1.00 C ATOM 1222 CD GLN A 83 82.393 -6.716 2.055 1.00 1.00 C ATOM 1223 OE1 GLN A 83 81.724 -5.702 2.097 1.00 1.00 O ATOM 1224 NE2 GLN A 83 82.930 -7.098 0.929 1.00 1.00 N ATOM 0 H GLN A 83 81.512 -10.740 3.518 1.00 1.00 H new ATOM 0 HA GLN A 83 79.679 -9.293 3.755 1.00 1.00 H new ATOM 0 HB2 GLN A 83 80.681 -6.933 4.053 1.00 1.00 H new ATOM 0 HB3 GLN A 83 81.421 -8.213 4.993 1.00 1.00 H new ATOM 0 HG2 GLN A 83 83.264 -7.024 4.010 1.00 1.00 H new ATOM 0 HG3 GLN A 83 83.116 -8.489 3.059 1.00 1.00 H new ATOM 0 HE21 GLN A 83 83.491 -7.949 0.894 1.00 1.00 H new ATOM 0 HE22 GLN A 83 82.789 -6.546 0.083 1.00 1.00 H new ATOM 1233 N TYR A 84 79.444 -9.031 0.967 1.00 1.00 N ATOM 1234 CA TYR A 84 78.854 -8.452 -0.276 1.00 1.00 C ATOM 1235 C TYR A 84 77.724 -9.349 -0.792 1.00 1.00 C ATOM 1236 O TYR A 84 76.735 -9.567 -0.119 1.00 1.00 O ATOM 1237 CB TYR A 84 79.938 -8.303 -1.355 1.00 1.00 C ATOM 1238 CG TYR A 84 80.561 -9.646 -1.652 1.00 1.00 C ATOM 1239 CD1 TYR A 84 80.095 -10.793 -0.999 1.00 1.00 C ATOM 1240 CD2 TYR A 84 81.604 -9.744 -2.580 1.00 1.00 C ATOM 1241 CE1 TYR A 84 80.672 -12.039 -1.274 1.00 1.00 C ATOM 1242 CE2 TYR A 84 82.182 -10.989 -2.855 1.00 1.00 C ATOM 1243 CZ TYR A 84 81.716 -12.137 -2.202 1.00 1.00 C ATOM 1244 OH TYR A 84 82.285 -13.364 -2.473 1.00 1.00 O ATOM 0 H TYR A 84 79.444 -10.050 1.014 1.00 1.00 H new ATOM 0 HA TYR A 84 78.446 -7.468 -0.044 1.00 1.00 H new ATOM 0 HB2 TYR A 84 79.503 -7.886 -2.263 1.00 1.00 H new ATOM 0 HB3 TYR A 84 80.704 -7.604 -1.018 1.00 1.00 H new ATOM 0 HD1 TYR A 84 79.290 -10.717 -0.283 1.00 1.00 H new ATOM 0 HD2 TYR A 84 81.963 -8.859 -3.084 1.00 1.00 H new ATOM 0 HE1 TYR A 84 80.312 -12.924 -0.771 1.00 1.00 H new ATOM 0 HE2 TYR A 84 82.987 -11.064 -3.571 1.00 1.00 H new ATOM 0 HH TYR A 84 82.994 -13.255 -3.140 1.00 1.00 H new ATOM 1254 N GLY A 85 77.862 -9.872 -1.979 1.00 1.00 N ATOM 1255 CA GLY A 85 76.797 -10.754 -2.536 1.00 1.00 C ATOM 1256 C GLY A 85 76.932 -10.812 -4.057 1.00 1.00 C ATOM 1257 O GLY A 85 76.070 -10.355 -4.780 1.00 1.00 O ATOM 0 H GLY A 85 78.667 -9.727 -2.588 1.00 1.00 H new ATOM 0 HA2 GLY A 85 76.881 -11.755 -2.114 1.00 1.00 H new ATOM 0 HA3 GLY A 85 75.813 -10.373 -2.261 1.00 1.00 H new ATOM 1261 N ILE A 86 78.014 -11.365 -4.543 1.00 1.00 N ATOM 1262 CA ILE A 86 78.229 -11.455 -6.020 1.00 1.00 C ATOM 1263 C ILE A 86 77.720 -10.181 -6.704 1.00 1.00 C ATOM 1264 O ILE A 86 77.095 -10.227 -7.745 1.00 1.00 O ATOM 1265 CB ILE A 86 77.502 -12.685 -6.585 1.00 1.00 C ATOM 1266 CG1 ILE A 86 76.002 -12.559 -6.311 1.00 1.00 C ATOM 1267 CG2 ILE A 86 78.037 -13.950 -5.911 1.00 1.00 C ATOM 1268 CD1 ILE A 86 75.243 -13.606 -7.130 1.00 1.00 C ATOM 0 H ILE A 86 78.764 -11.761 -3.976 1.00 1.00 H new ATOM 0 HA ILE A 86 79.296 -11.557 -6.216 1.00 1.00 H new ATOM 0 HB ILE A 86 77.673 -12.746 -7.660 1.00 1.00 H new ATOM 0 HG12 ILE A 86 75.803 -12.699 -5.249 1.00 1.00 H new ATOM 0 HG13 ILE A 86 75.657 -11.558 -6.571 1.00 1.00 H new ATOM 0 HG21 ILE A 86 77.521 -14.822 -6.312 1.00 1.00 H new ATOM 0 HG22 ILE A 86 79.106 -14.041 -6.104 1.00 1.00 H new ATOM 0 HG23 ILE A 86 77.866 -13.890 -4.836 1.00 1.00 H new ATOM 0 HD11 ILE A 86 74.174 -13.516 -6.935 1.00 1.00 H new ATOM 0 HD12 ILE A 86 75.433 -13.445 -8.191 1.00 1.00 H new ATOM 0 HD13 ILE A 86 75.581 -14.603 -6.848 1.00 1.00 H new ATOM 1280 N CYS A 87 77.988 -9.041 -6.124 1.00 1.00 N ATOM 1281 CA CYS A 87 77.525 -7.763 -6.734 1.00 1.00 C ATOM 1282 C CYS A 87 78.184 -7.584 -8.103 1.00 1.00 C ATOM 1283 CB CYS A 87 77.911 -6.595 -5.822 1.00 1.00 C ATOM 1284 SG CYS A 87 77.731 -7.095 -4.092 1.00 1.00 S ATOM 0 H CYS A 87 78.509 -8.941 -5.253 1.00 1.00 H new ATOM 0 HA CYS A 87 76.442 -7.787 -6.854 1.00 1.00 H new ATOM 0 HB2 CYS A 87 78.939 -6.291 -6.019 1.00 1.00 H new ATOM 0 HB3 CYS A 87 77.278 -5.733 -6.030 1.00 1.00 H new TER 1289 CYS A 87 HETATM 1290 C1C RCY A 110 60.722 -11.607 5.483 1.00 1.00 C HETATM 1291 O1G RCY A 110 56.964 -10.558 7.379 1.00 1.00 O HETATM 1292 O1H RCY A 110 60.636 -7.594 7.563 1.00 1.00 O HETATM 1293 O1J RCY A 110 61.349 -10.833 2.641 1.00 1.00 O HETATM 1294 C1L RCY A 110 57.914 -9.178 9.162 1.00 1.00 C HETATM 1295 C1M RCY A 110 59.224 -8.333 4.626 1.00 1.00 C HETATM 1296 C1P RCY A 110 57.839 -9.778 7.752 1.00 1.00 C HETATM 1297 C1Q RCY A 110 59.809 -8.459 7.848 1.00 1.00 C HETATM 1298 N1R RCY A 110 58.985 -9.286 6.869 1.00 1.00 N HETATM 1299 C1S RCY A 110 59.419 -8.899 9.247 1.00 1.00 C HETATM 1300 C1U RCY A 110 59.247 -9.550 5.385 1.00 1.00 C HETATM 1301 C1V RCY A 110 61.730 -9.305 5.819 1.00 1.00 C HETATM 1302 N1V RCY A 110 60.726 -9.939 3.614 1.00 1.00 N HETATM 1303 C1W RCY A 110 60.017 -8.614 3.344 1.00 1.00 C HETATM 1304 C1X RCY A 110 60.640 -10.122 5.122 1.00 1.00 C HETATM 1305 C1Y RCY A 110 61.039 -7.502 3.089 1.00 1.00 C HETATM 1306 C1Z RCY A 110 59.088 -8.779 2.141 1.00 1.00 C HETATM 0 H1ZB RCY A 110 58.408 -9.613 2.318 1.00 1.00 H new HETATM 0 H1YB RCY A 110 60.521 -6.549 2.982 1.00 1.00 H new HETATM 0 H1YA RCY A 110 61.732 -7.446 3.928 1.00 1.00 H new HETATM 0 H1VA RCY A 110 62.710 -9.675 5.519 1.00 1.00 H new HETATM 0 H1LA RCY A 110 57.315 -8.273 9.263 1.00 1.00 H new HETATM 0 H1CA RCY A 110 60.004 -12.167 4.884 1.00 1.00 H new HETATM 0 H1Z RCY A 110 59.681 -8.977 1.248 1.00 1.00 H new HETATM 0 H1Y RCY A 110 61.592 -7.719 2.175 1.00 1.00 H new HETATM 0 H1V RCY A 110 61.636 -8.257 5.536 1.00 1.00 H new HETATM 0 H1S RCY A 110 59.970 -9.789 9.550 1.00 1.00 H new HETATM 0 H1M RCY A 110 59.672 -7.514 5.189 1.00 1.00 H new HETATM 0 H1L RCY A 110 57.574 -9.873 9.930 1.00 1.00 H new HETATM 0 H1C RCY A 110 61.728 -11.975 5.281 1.00 1.00 H new HETATM 1309 C1C RCY A 121 60.753 -9.924 0.107 1.00 1.00 C HETATM 1310 O1G RCY A 121 60.853 -11.480 -2.130 1.00 1.00 O HETATM 1311 O1H RCY A 121 63.101 -8.077 -4.510 1.00 1.00 O HETATM 1312 O1J RCY A 121 59.546 -7.428 1.284 1.00 1.00 O HETATM 1313 C1L RCY A 121 62.070 -11.444 -4.253 1.00 1.00 C HETATM 1314 C1M RCY A 121 60.890 -7.112 -2.294 1.00 1.00 C HETATM 1315 C1P RCY A 121 61.467 -10.837 -2.980 1.00 1.00 C HETATM 1316 C1Q RCY A 121 62.407 -9.053 -4.231 1.00 1.00 C HETATM 1317 N1R RCY A 121 61.725 -9.333 -2.898 1.00 1.00 N HETATM 1318 C1S RCY A 121 62.072 -10.208 -5.158 1.00 1.00 C HETATM 1319 C1U RCY A 121 61.389 -8.352 -1.773 1.00 1.00 C HETATM 1320 C1V RCY A 121 59.052 -9.322 -1.674 1.00 1.00 C HETATM 1321 N1V RCY A 121 59.932 -7.568 -0.117 1.00 1.00 N HETATM 1322 C1W RCY A 121 60.092 -6.461 -1.157 1.00 1.00 C HETATM 1323 C1X RCY A 121 60.264 -8.851 -0.867 1.00 1.00 C HETATM 1324 C1Y RCY A 121 58.723 -5.995 -1.658 1.00 1.00 C HETATM 1325 C1Z RCY A 121 60.863 -5.297 -0.533 1.00 1.00 C HETATM 0 H1ZB RCY A 121 61.808 -5.661 -0.129 1.00 1.00 H new HETATM 0 H1ZA RCY A 121 61.061 -4.542 -1.294 1.00 1.00 H new HETATM 0 H1YB RCY A 121 58.857 -5.266 -2.457 1.00 1.00 H new HETATM 0 H1YA RCY A 121 58.164 -6.850 -2.037 1.00 1.00 H new HETATM 0 H1VB RCY A 121 59.320 -10.208 -2.249 1.00 1.00 H new HETATM 0 H1VA RCY A 121 58.234 -9.564 -0.995 1.00 1.00 H new HETATM 0 H1MA RCY A 121 61.708 -6.467 -2.614 1.00 1.00 H new HETATM 0 H1LA RCY A 121 63.071 -11.844 -4.091 1.00 1.00 H new HETATM 0 H1CB RCY A 121 61.143 -10.774 -0.453 1.00 1.00 H new HETATM 0 H1CA RCY A 121 61.542 -9.512 0.737 1.00 1.00 H new HETATM 0 H1Z RCY A 121 60.271 -4.857 0.269 1.00 1.00 H new HETATM 0 H1Y RCY A 121 58.172 -5.536 -0.837 1.00 1.00 H new HETATM 0 H1V RCY A 121 58.737 -8.530 -2.353 1.00 1.00 H new HETATM 0 H1U RCY A 121 62.325 -8.240 -1.226 1.00 1.00 H new HETATM 0 H1S RCY A 121 61.102 -10.065 -5.635 1.00 1.00 H new HETATM 0 H1M RCY A 121 60.258 -7.282 -3.166 1.00 1.00 H new HETATM 0 H1L RCY A 121 61.464 -12.255 -4.656 1.00 1.00 H new HETATM 0 H1C RCY A 121 59.923 -10.252 0.733 1.00 1.00 H new HETATM 1328 C1C RCY A 130 73.448 12.514 -9.560 1.00 1.00 C HETATM 1329 O1G RCY A 130 75.051 7.753 -8.583 1.00 1.00 O HETATM 1330 O1H RCY A 130 72.847 11.013 -11.193 1.00 1.00 O HETATM 1331 O1J RCY A 130 70.490 11.957 -9.654 1.00 1.00 O HETATM 1332 C1L RCY A 130 74.628 7.972 -10.983 1.00 1.00 C HETATM 1333 C1M RCY A 130 72.520 9.815 -7.205 1.00 1.00 C HETATM 1334 C1P RCY A 130 74.537 8.381 -9.508 1.00 1.00 C HETATM 1335 C1Q RCY A 130 73.248 9.939 -10.748 1.00 1.00 C HETATM 1336 N1R RCY A 130 73.729 9.665 -9.329 1.00 1.00 N HETATM 1337 C1S RCY A 130 73.354 8.635 -11.518 1.00 1.00 C HETATM 1338 C1U RCY A 130 73.465 10.476 -8.058 1.00 1.00 C HETATM 1339 C1V RCY A 130 72.834 12.737 -7.110 1.00 1.00 C HETATM 1340 N1V RCY A 130 71.397 11.393 -8.659 1.00 1.00 N HETATM 1341 C1W RCY A 130 71.130 10.231 -7.704 1.00 1.00 C HETATM 1342 C1X RCY A 130 72.821 11.831 -8.343 1.00 1.00 C HETATM 1343 C1Y RCY A 130 70.254 10.690 -6.535 1.00 1.00 C HETATM 1344 C1Z RCY A 130 70.453 9.096 -8.473 1.00 1.00 C HETATM 0 H1ZB RCY A 130 71.064 8.825 -9.334 1.00 1.00 H new HETATM 0 H1ZA RCY A 130 70.342 8.230 -7.820 1.00 1.00 H new HETATM 0 H1YB RCY A 130 70.143 9.874 -5.821 1.00 1.00 H new HETATM 0 H1YA RCY A 130 70.722 11.542 -6.042 1.00 1.00 H new HETATM 0 H1VB RCY A 130 73.863 12.999 -6.862 1.00 1.00 H new HETATM 0 H1VA RCY A 130 72.269 13.645 -7.320 1.00 1.00 H new HETATM 0 H1MA RCY A 130 72.643 8.733 -7.252 1.00 1.00 H new HETATM 0 H1LA RCY A 130 75.529 8.349 -11.466 1.00 1.00 H new HETATM 0 H1CB RCY A 130 74.511 12.672 -9.381 1.00 1.00 H new HETATM 0 H1CA RCY A 130 73.318 11.882 -10.439 1.00 1.00 H new HETATM 0 H1Z RCY A 130 69.470 9.422 -8.813 1.00 1.00 H new HETATM 0 H1Y RCY A 130 69.272 10.981 -6.908 1.00 1.00 H new HETATM 0 H1V RCY A 130 72.380 12.213 -6.269 1.00 1.00 H new HETATM 0 H1U RCY A 130 74.448 10.588 -7.601 1.00 1.00 H new HETATM 0 H1S RCY A 130 72.480 8.005 -11.353 1.00 1.00 H new HETATM 0 H1M RCY A 130 72.664 10.107 -6.165 1.00 1.00 H new HETATM 0 H1L RCY A 130 74.624 6.890 -11.117 1.00 1.00 H new HETATM 0 H1C RCY A 130 72.962 13.475 -9.729 1.00 1.00 H new HETATM 1347 C1C RCY A 138 78.704 8.181 2.635 1.00 1.00 C HETATM 1348 O1G RCY A 138 78.875 6.269 0.781 1.00 1.00 O HETATM 1349 O1H RCY A 138 81.434 8.962 -2.134 1.00 1.00 O HETATM 1350 O1J RCY A 138 78.207 11.029 3.478 1.00 1.00 O HETATM 1351 C1L RCY A 138 79.934 5.854 -1.386 1.00 1.00 C HETATM 1352 C1M RCY A 138 79.818 10.562 0.030 1.00 1.00 C HETATM 1353 C1P RCY A 138 79.518 6.699 -0.175 1.00 1.00 C HETATM 1354 C1Q RCY A 138 80.624 8.147 -1.695 1.00 1.00 C HETATM 1355 N1R RCY A 138 80.002 8.143 -0.304 1.00 1.00 N HETATM 1356 C1S RCY A 138 80.057 6.955 -2.445 1.00 1.00 C HETATM 1357 C1U RCY A 138 79.896 9.294 0.698 1.00 1.00 C HETATM 1358 C1V RCY A 138 77.376 9.048 0.656 1.00 1.00 C HETATM 1359 N1V RCY A 138 78.627 10.635 2.137 1.00 1.00 N HETATM 1360 C1W RCY A 138 79.174 11.532 1.028 1.00 1.00 C HETATM 1361 C1X RCY A 138 78.617 9.238 1.531 1.00 1.00 C HETATM 1362 C1Y RCY A 138 78.037 12.313 0.362 1.00 1.00 C HETATM 1363 C1Z RCY A 138 80.209 12.487 1.621 1.00 1.00 C HETATM 0 H1ZB RCY A 138 80.977 11.914 2.141 1.00 1.00 H new HETATM 0 H1ZA RCY A 138 80.669 13.068 0.821 1.00 1.00 H new HETATM 0 H1YB RCY A 138 78.431 12.882 -0.480 1.00 1.00 H new HETATM 0 H1YA RCY A 138 77.278 11.617 0.006 1.00 1.00 H new HETATM 0 H1VB RCY A 138 77.409 8.065 0.186 1.00 1.00 H new HETATM 0 H1VA RCY A 138 76.481 9.125 1.273 1.00 1.00 H new HETATM 0 H1CB RCY A 138 78.864 7.200 2.188 1.00 1.00 H new HETATM 0 H1CA RCY A 138 79.535 8.417 3.300 1.00 1.00 H new HETATM 0 H1Z RCY A 138 79.721 13.162 2.324 1.00 1.00 H new HETATM 0 H1Y RCY A 138 77.592 12.996 1.086 1.00 1.00 H new HETATM 0 H1V RCY A 138 77.353 9.819 -0.115 1.00 1.00 H new HETATM 0 H1U RCY A 138 80.785 9.192 1.320 1.00 1.00 H new HETATM 0 H1S RCY A 138 79.089 7.189 -2.888 1.00 1.00 H new HETATM 0 H1M RCY A 138 79.222 10.487 -0.880 1.00 1.00 H new HETATM 0 H1L RCY A 138 79.187 5.104 -1.648 1.00 1.00 H new HETATM 0 H1C RCY A 138 77.775 8.173 3.205 1.00 1.00 H new HETATM 1366 C1C RCY A 150 79.844 5.940 -0.078 1.00 1.00 C HETATM 1367 O1G RCY A 150 80.199 9.848 -2.398 1.00 1.00 O HETATM 1368 O1H RCY A 150 83.062 8.523 1.115 1.00 1.00 O HETATM 1369 O1J RCY A 150 81.212 3.493 -1.177 1.00 1.00 O HETATM 1370 C1L RCY A 150 81.173 11.035 -0.493 1.00 1.00 C HETATM 1371 C1M RCY A 150 82.921 6.843 -1.924 1.00 1.00 C HETATM 1372 C1P RCY A 150 80.884 9.815 -1.377 1.00 1.00 C HETATM 1373 C1Q RCY A 150 82.156 9.054 0.475 1.00 1.00 C HETATM 1374 N1R RCY A 150 81.552 8.555 -0.832 1.00 1.00 N HETATM 1375 C1S RCY A 150 81.430 10.334 0.845 1.00 1.00 C HETATM 1376 C1U RCY A 150 81.608 7.149 -1.433 1.00 1.00 C HETATM 1377 C1V RCY A 150 82.183 6.232 0.856 1.00 1.00 C HETATM 1378 N1V RCY A 150 81.798 4.830 -1.184 1.00 1.00 N HETATM 1379 C1W RCY A 150 83.013 5.313 -1.973 1.00 1.00 C HETATM 1380 C1X RCY A 150 81.334 6.053 -0.405 1.00 1.00 C HETATM 1381 C1Y RCY A 150 84.307 4.830 -1.313 1.00 1.00 C HETATM 1382 C1Z RCY A 150 82.915 4.796 -3.409 1.00 1.00 C HETATM 0 H1ZB RCY A 150 81.961 5.100 -3.841 1.00 1.00 H new HETATM 0 H1ZA RCY A 150 83.730 5.211 -4.002 1.00 1.00 H new HETATM 0 H1YB RCY A 150 85.163 5.252 -1.839 1.00 1.00 H new HETATM 0 H1YA RCY A 150 84.326 5.152 -0.272 1.00 1.00 H new HETATM 0 H1VB RCY A 150 81.878 7.141 1.374 1.00 1.00 H new HETATM 0 H1VA RCY A 150 82.042 5.375 1.514 1.00 1.00 H new HETATM 0 H1MA RCY A 150 83.077 7.274 -2.913 1.00 1.00 H new HETATM 0 H1LA RCY A 150 82.035 11.605 -0.838 1.00 1.00 H new HETATM 0 H1Z RCY A 150 82.984 3.708 -3.410 1.00 1.00 H new HETATM 0 H1Y RCY A 150 84.354 3.742 -1.358 1.00 1.00 H new HETATM 0 H1V RCY A 150 83.234 6.308 0.579 1.00 1.00 H new HETATM 0 H1S RCY A 150 80.497 10.123 1.368 1.00 1.00 H new HETATM 0 H1M RCY A 150 83.688 7.258 -1.270 1.00 1.00 H new HETATM 1385 C1C RCY A 160 69.793 9.035 -2.959 1.00 1.00 C HETATM 1386 O1G RCY A 160 71.188 6.801 -1.218 1.00 1.00 O HETATM 1387 O1H RCY A 160 67.774 7.848 1.873 1.00 1.00 O HETATM 1388 O1J RCY A 160 67.238 10.002 -4.226 1.00 1.00 O HETATM 1389 C1L RCY A 160 71.061 6.733 1.225 1.00 1.00 C HETATM 1390 C1M RCY A 160 66.856 8.151 -0.889 1.00 1.00 C HETATM 1391 C1P RCY A 160 70.543 7.012 -0.192 1.00 1.00 C HETATM 1392 C1Q RCY A 160 68.870 7.742 1.324 1.00 1.00 C HETATM 1393 N1R RCY A 160 69.127 7.585 -0.170 1.00 1.00 N HETATM 1394 C1S RCY A 160 70.221 7.742 2.015 1.00 1.00 C HETATM 1395 C1U RCY A 160 68.199 7.920 -1.339 1.00 1.00 C HETATM 1396 C1V RCY A 160 68.782 10.367 -1.054 1.00 1.00 C HETATM 1397 N1V RCY A 160 67.325 9.454 -2.875 1.00 1.00 N HETATM 1398 C1W RCY A 160 66.178 8.989 -1.980 1.00 1.00 C HETATM 1399 C1X RCY A 160 68.580 9.220 -2.045 1.00 1.00 C HETATM 1400 C1Y RCY A 160 65.457 10.192 -1.366 1.00 1.00 C HETATM 1401 C1Z RCY A 160 65.209 8.145 -2.808 1.00 1.00 C HETATM 0 H1ZB RCY A 160 65.753 7.330 -3.285 1.00 1.00 H new HETATM 0 H1ZA RCY A 160 64.437 7.734 -2.157 1.00 1.00 H new HETATM 0 H1YB RCY A 160 64.698 9.843 -0.666 1.00 1.00 H new HETATM 0 H1YA RCY A 160 66.177 10.817 -0.838 1.00 1.00 H new HETATM 0 H1VB RCY A 160 69.651 10.160 -0.430 1.00 1.00 H new HETATM 0 H1VA RCY A 160 68.942 11.296 -1.601 1.00 1.00 H new HETATM 0 H1MA RCY A 160 66.329 7.209 -0.737 1.00 1.00 H new HETATM 0 H1LA RCY A 160 70.883 5.705 1.540 1.00 1.00 H new HETATM 0 H1CB RCY A 160 70.647 8.704 -2.368 1.00 1.00 H new HETATM 0 H1CA RCY A 160 69.566 8.287 -3.719 1.00 1.00 H new HETATM 0 H1Z RCY A 160 64.745 8.768 -3.572 1.00 1.00 H new HETATM 0 H1Y RCY A 160 64.982 10.774 -2.156 1.00 1.00 H new HETATM 0 H1V RCY A 160 67.897 10.464 -0.424 1.00 1.00 H new HETATM 0 H1U RCY A 160 68.285 7.062 -2.005 1.00 1.00 H new HETATM 0 H1S RCY A 160 70.674 8.733 1.999 1.00 1.00 H new HETATM 0 H1M RCY A 160 66.850 8.677 0.066 1.00 1.00 H new HETATM 0 H1L RCY A 160 72.131 6.915 1.321 1.00 1.00 H new HETATM 0 H1C RCY A 160 70.032 9.982 -3.443 1.00 1.00 H new HETATM 1404 C1C RCY A 168 70.659 0.200 -1.264 1.00 1.00 C HETATM 1405 O1G RCY A 168 73.211 -3.214 0.377 1.00 1.00 O HETATM 1406 O1H RCY A 168 69.025 -1.880 2.110 1.00 1.00 O HETATM 1407 O1J RCY A 168 68.755 -0.399 -3.518 1.00 1.00 O HETATM 1408 C1L RCY A 168 72.357 -2.918 2.651 1.00 1.00 C HETATM 1409 C1M RCY A 168 69.396 -3.272 -1.060 1.00 1.00 C HETATM 1410 C1P RCY A 168 72.287 -2.882 1.119 1.00 1.00 C HETATM 1411 C1Q RCY A 168 70.235 -2.015 1.934 1.00 1.00 C HETATM 1412 N1R RCY A 168 70.929 -2.382 0.629 1.00 1.00 N HETATM 1413 C1S RCY A 168 71.317 -1.843 2.985 1.00 1.00 C HETATM 1414 C1U RCY A 168 70.394 -2.275 -0.800 1.00 1.00 C HETATM 1415 C1V RCY A 168 68.640 -0.643 0.018 1.00 1.00 C HETATM 1416 N1V RCY A 168 68.978 -1.285 -2.379 1.00 1.00 N HETATM 1417 C1W RCY A 168 68.566 -2.749 -2.239 1.00 1.00 C HETATM 1418 C1X RCY A 168 69.674 -0.954 -1.066 1.00 1.00 C HETATM 1419 C1Y RCY A 168 67.069 -2.857 -1.934 1.00 1.00 C HETATM 1420 C1Z RCY A 168 68.907 -3.491 -3.531 1.00 1.00 C HETATM 0 H1ZB RCY A 168 69.963 -3.352 -3.762 1.00 1.00 H new HETATM 0 H1ZA RCY A 168 68.700 -4.554 -3.406 1.00 1.00 H new HETATM 0 H1YB RCY A 168 66.809 -3.900 -1.754 1.00 1.00 H new HETATM 0 H1YA RCY A 168 66.835 -2.267 -1.048 1.00 1.00 H new HETATM 0 H1VB RCY A 168 69.149 -0.463 0.965 1.00 1.00 H new HETATM 0 H1VA RCY A 168 68.073 0.244 -0.264 1.00 1.00 H new HETATM 0 H1MA RCY A 168 69.856 -4.230 -1.303 1.00 1.00 H new HETATM 0 H1LA RCY A 168 72.094 -3.894 3.058 1.00 1.00 H new HETATM 0 H1CB RCY A 168 71.268 0.317 -0.367 1.00 1.00 H new HETATM 0 H1CA RCY A 168 71.305 -0.015 -2.115 1.00 1.00 H new HETATM 0 H1Z RCY A 168 68.302 -3.097 -4.347 1.00 1.00 H new HETATM 0 H1Y RCY A 168 66.497 -2.481 -2.782 1.00 1.00 H new HETATM 0 H1V RCY A 168 67.961 -1.488 0.126 1.00 1.00 H new HETATM 0 H1U RCY A 168 71.279 -2.383 -1.427 1.00 1.00 H new HETATM 0 H1S RCY A 168 71.753 -0.845 2.945 1.00 1.00 H new HETATM 0 H1M RCY A 168 68.769 -3.433 -0.183 1.00 1.00 H new HETATM 0 H1L RCY A 168 73.349 -2.671 3.030 1.00 1.00 H new HETATM 0 H1C RCY A 168 70.107 1.121 -1.451 1.00 1.00 H new HETATM 1423 C1C RCY A 173 79.099 0.432 5.718 1.00 1.00 C HETATM 1424 O1G RCY A 173 80.966 -3.273 9.362 1.00 1.00 O HETATM 1425 O1H RCY A 173 79.069 0.951 8.435 1.00 1.00 O HETATM 1426 O1J RCY A 173 78.205 -1.413 3.513 1.00 1.00 O HETATM 1427 C1L RCY A 173 80.488 -1.312 10.745 1.00 1.00 C HETATM 1428 C1M RCY A 173 79.479 -3.114 6.705 1.00 1.00 C HETATM 1429 C1P RCY A 173 80.555 -2.116 9.440 1.00 1.00 C HETATM 1430 C1Q RCY A 173 79.786 0.058 8.884 1.00 1.00 C HETATM 1431 N1R RCY A 173 80.049 -1.302 8.251 1.00 1.00 N HETATM 1432 C1S RCY A 173 80.575 0.110 10.180 1.00 1.00 C HETATM 1433 C1U RCY A 173 79.853 -1.732 6.795 1.00 1.00 C HETATM 1434 C1V RCY A 173 77.427 -1.021 6.951 1.00 1.00 C HETATM 1435 N1V RCY A 173 78.535 -1.854 4.865 1.00 1.00 N HETATM 1436 C1W RCY A 173 78.788 -3.281 5.346 1.00 1.00 C HETATM 1437 C1X RCY A 173 78.705 -0.993 6.109 1.00 1.00 C HETATM 1438 C1Y RCY A 173 77.464 -4.035 5.504 1.00 1.00 C HETATM 1439 C1Z RCY A 173 79.697 -3.993 4.344 1.00 1.00 C HETATM 0 H1ZA RCY A 173 79.955 -4.981 4.725 1.00 1.00 H new HETATM 0 H1YB RCY A 173 77.655 -5.021 5.926 1.00 1.00 H new HETATM 0 H1YA RCY A 173 76.805 -3.477 6.169 1.00 1.00 H new HETATM 0 H1VB RCY A 173 77.581 -0.447 7.865 1.00 1.00 H new HETATM 0 H1VA RCY A 173 76.607 -0.584 6.382 1.00 1.00 H new HETATM 0 H1LA RCY A 173 79.564 -1.487 11.296 1.00 1.00 H new HETATM 0 H1CB RCY A 173 79.379 0.990 6.611 1.00 1.00 H new HETATM 0 H1CA RCY A 173 79.944 0.400 5.030 1.00 1.00 H new HETATM 0 H1Z RCY A 173 79.178 -4.096 3.391 1.00 1.00 H new HETATM 0 H1Y RCY A 173 76.989 -4.144 4.529 1.00 1.00 H new HETATM 0 H1V RCY A 173 77.183 -2.052 7.207 1.00 1.00 H new HETATM 0 H1U RCY A 173 80.810 -1.517 6.319 1.00 1.00 H new HETATM 0 H1S RCY A 173 81.610 0.403 10.002 1.00 1.00 H new HETATM 0 H1M RCY A 173 78.809 -3.390 7.519 1.00 1.00 H new HETATM 0 H1L RCY A 173 81.311 -1.544 11.421 1.00 1.00 H new HETATM 0 H1C RCY A 173 78.255 0.923 5.233 1.00 1.00 H new HETATM 1442 C1C RCY A 176 78.750 -1.724 2.225 1.00 1.00 C HETATM 1443 O1G RCY A 176 83.696 -1.306 3.108 1.00 1.00 O HETATM 1444 O1H RCY A 176 79.567 -3.229 4.353 1.00 1.00 O HETATM 1445 O1J RCY A 176 79.779 1.010 1.496 1.00 1.00 O HETATM 1446 C1L RCY A 176 82.661 -1.796 5.270 1.00 1.00 C HETATM 1447 C1M RCY A 176 82.148 -1.917 0.774 1.00 1.00 C HETATM 1448 C1P RCY A 176 82.727 -1.724 3.739 1.00 1.00 C HETATM 1449 C1Q RCY A 176 80.561 -2.507 4.312 1.00 1.00 C HETATM 1450 N1R RCY A 176 81.438 -2.235 3.096 1.00 1.00 N HETATM 1451 C1S RCY A 176 81.144 -1.718 5.471 1.00 1.00 C HETATM 1452 C1U RCY A 176 81.104 -2.428 1.616 1.00 1.00 C HETATM 1453 C1V RCY A 176 79.380 -2.076 -0.205 1.00 1.00 C HETATM 1454 N1V RCY A 176 80.439 -0.238 1.126 1.00 1.00 N HETATM 1455 C1W RCY A 176 81.861 -0.421 0.597 1.00 1.00 C HETATM 1456 C1X RCY A 176 79.865 -1.647 1.181 1.00 1.00 C HETATM 1457 C1Y RCY A 176 81.936 -0.030 -0.881 1.00 1.00 C HETATM 1458 C1Z RCY A 176 82.818 0.431 1.430 1.00 1.00 C HETATM 0 H1ZB RCY A 176 82.705 0.179 2.485 1.00 1.00 H new HETATM 0 H1ZA RCY A 176 83.844 0.236 1.118 1.00 1.00 H new HETATM 0 H1YB RCY A 176 82.933 -0.246 -1.264 1.00 1.00 H new HETATM 0 H1YA RCY A 176 81.199 -0.600 -1.446 1.00 1.00 H new HETATM 0 H1VB RCY A 176 79.023 -3.105 -0.163 1.00 1.00 H new HETATM 0 H1VA RCY A 176 78.568 -1.423 -0.525 1.00 1.00 H new HETATM 0 H1MA RCY A 176 83.126 -2.075 1.228 1.00 1.00 H new HETATM 0 H1LA RCY A 176 83.087 -2.719 5.663 1.00 1.00 H new HETATM 0 H1CB RCY A 176 78.463 -2.765 2.375 1.00 1.00 H new HETATM 0 H1Z RCY A 176 82.588 1.486 1.282 1.00 1.00 H new HETATM 0 H1Y RCY A 176 81.730 1.035 -0.987 1.00 1.00 H new HETATM 0 H1V RCY A 176 80.203 -2.006 -0.916 1.00 1.00 H new HETATM 0 H1U RCY A 176 80.958 -3.503 1.512 1.00 1.00 H new HETATM 0 H1S RCY A 176 80.796 -0.685 5.462 1.00 1.00 H new HETATM 0 H1M RCY A 176 82.157 -2.428 -0.189 1.00 1.00 H new HETATM 0 H1L RCY A 176 83.189 -0.972 5.750 1.00 1.00 H new HETATM 0 H1C RCY A 176 77.887 -1.156 1.878 1.00 1.00 H new HETATM 1461 C1C RCY A 187 80.128 -1.633 -3.136 1.00 1.00 C HETATM 1462 O1G RCY A 187 76.288 -3.627 -0.585 1.00 1.00 O HETATM 1463 O1H RCY A 187 78.565 -4.270 -4.672 1.00 1.00 O HETATM 1464 O1J RCY A 187 79.678 1.242 -2.362 1.00 1.00 O HETATM 1465 C1L RCY A 187 76.878 -5.619 -1.878 1.00 1.00 C HETATM 1466 C1M RCY A 187 76.629 -1.066 -2.073 1.00 1.00 C HETATM 1467 C1P RCY A 187 76.791 -4.113 -1.597 1.00 1.00 C HETATM 1468 C1Q RCY A 187 77.760 -4.370 -3.747 1.00 1.00 C HETATM 1469 N1R RCY A 187 77.407 -3.293 -2.729 1.00 1.00 N HETATM 1470 C1S RCY A 187 76.931 -5.596 -3.410 1.00 1.00 C HETATM 1471 C1U RCY A 187 77.619 -1.781 -2.826 1.00 1.00 C HETATM 1472 C1V RCY A 187 79.150 -1.904 -0.813 1.00 1.00 C HETATM 1473 N1V RCY A 187 78.708 0.174 -2.139 1.00 1.00 N HETATM 1474 C1W RCY A 187 77.230 0.314 -1.778 1.00 1.00 C HETATM 1475 C1X RCY A 187 78.944 -1.328 -2.215 1.00 1.00 C HETATM 1476 C1Y RCY A 187 77.072 0.665 -0.296 1.00 1.00 C HETATM 1477 C1Z RCY A 187 76.601 1.394 -2.658 1.00 1.00 C HETATM 0 H1ZB RCY A 187 76.777 1.157 -3.707 1.00 1.00 H new HETATM 0 H1ZA RCY A 187 75.528 1.436 -2.471 1.00 1.00 H new HETATM 0 H1YB RCY A 187 76.014 0.678 -0.036 1.00 1.00 H new HETATM 0 H1YA RCY A 187 77.585 -0.081 0.311 1.00 1.00 H new HETATM 0 H1VB RCY A 187 79.263 -2.986 -0.877 1.00 1.00 H new HETATM 0 H1VA RCY A 187 80.047 -1.472 -0.370 1.00 1.00 H new HETATM 0 H1MA RCY A 187 75.702 -0.974 -2.638 1.00 1.00 H new HETATM 0 H1LA RCY A 187 77.764 -6.076 -1.436 1.00 1.00 H new HETATM 0 H1CB RCY A 187 80.183 -2.707 -3.314 1.00 1.00 H new HETATM 0 H1CA RCY A 187 79.994 -1.114 -4.085 1.00 1.00 H new HETATM 0 H1Z RCY A 187 77.049 2.360 -2.424 1.00 1.00 H new HETATM 0 H1Y RCY A 187 77.504 1.647 -0.107 1.00 1.00 H new HETATM 0 H1V RCY A 187 78.287 -1.665 -0.191 1.00 1.00 H new HETATM 0 H1U RCY A 187 77.577 -1.572 -3.895 1.00 1.00 H new HETATM 0 H1S RCY A 187 75.932 -5.529 -3.840 1.00 1.00 H new HETATM 0 H1M RCY A 187 76.388 -1.591 -1.149 1.00 1.00 H new HETATM 0 H1L RCY A 187 76.015 -6.165 -1.498 1.00 1.00 H new HETATM 0 H1C RCY A 187 81.051 -1.296 -2.665 1.00 1.00 H new