USER MOD reduce.3.24.130724 H: found=0, std=0, add=804, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 659 hydrogens (20 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 110 RCYH1ZA : A 110 RCY C1Z : A 7 LYS CE :(H bumps) USER MOD NoAdj-H: A 110 RCYH1SA : A 110 RCY C1S : A 10 CYS SG :(H bumps) USER MOD NoAdj-H: A 110 RCY H1Z : A 110 RCY C1Z : A 7 LYS CE :(H bumps) USER MOD NoAdj-H: A 121 RCYH1SA : A 121 RCY C1S : A 21 CYS SG :(H bumps) USER MOD NoAdj-H: A 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 150 RCYH1SA : A 150 RCY C1S : A 50 CYS SG :(H bumps) USER MOD NoAdj-H: A 160 RCYH1SA : A 160 RCY C1S : A 60 CYS SG :(H bumps) USER MOD NoAdj-H: A 160 RCYH1LA : A 160 RCY C1L : A 60 CYS C :(H bumps) USER MOD NoAdj-H: A 160 RCY H1L : A 160 RCY C1L : A 60 CYS C :(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 C1Y :(H bumps) USER MOD NoAdj-H: A 173 RCYH1ZA : A 173 RCY C1Z : A 176 RCY C1Y :(H bumps) USER MOD NoAdj-H: A 173 RCYH1SA : A 173 RCY C1S : A 73 CYS SG :(H bumps) USER MOD NoAdj-H: A 173 RCY H1U : A 173 RCY C1U : A 176 RCY C1Z :(H bumps) USER MOD NoAdj-H: A 176 RCYH1ZB : A 176 RCY C1Z : A 173 RCY C1U :(H bumps) USER MOD NoAdj-H: A 176 RCYH1ZA : A 176 RCY C1Z : A 173 RCY C1Q :(H bumps) USER MOD NoAdj-H: A 176 RCYH1YB : A 176 RCY C1Y : A 173 RCY C1Z :(H bumps) USER MOD NoAdj-H: A 176 RCYH1YA : A 176 RCY C1Y : A 173 RCY C1Z :(H bumps) USER MOD NoAdj-H: A 176 RCYH1SA : A 176 RCY C1S : A 76 CYS SG :(H bumps) USER MOD NoAdj-H: A 176 RCYH1MA : A 176 RCY C1M : A 173 RCY C1L :(H bumps) USER MOD NoAdj-H: A 176 RCYH1LA : A 176 RCY C1L : A 76 CYS O :(H bumps) USER MOD NoAdj-H: A 176 RCY H1Z : A 176 RCY C1Z : A 173 RCY C1U :(H bumps) USER MOD NoAdj-H: A 176 RCY H1Y : A 176 RCY C1Y : A 173 RCY C1W :(H bumps) USER MOD NoAdj-H: A 176 RCY H1M : A 176 RCY C1M : A 173 RCY O1G :(H bumps) USER MOD NoAdj-H: A 176 RCY H1L : A 176 RCY C1L : A 76 CYS O :(H bumps) USER MOD NoAdj-H: A 187 RCYH1SA : A 187 RCY C1S : A 87 CYS SG :(H bumps) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -155:sc= -0.159 (180deg=-0.864) USER MOD Single : A 2 ASN : amide:sc= -3.84! C(o=-3.8!,f=-8!) USER MOD Single : A 7 LYS NZ :NH3+ 148:sc= -14.3! (180deg=-16.7!) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0112 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 GLN : amide:sc= -6.94! C(o=-6.9!,f=-7.4!) USER MOD Single : A 34 GLN : amide:sc= -0.382 K(o=-0.38,f=-4.9!) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -0.704 K(o=-0.7,f=-3.7!) USER MOD Single : A 39 LYS NZ :NH3+ -167:sc= -0.318 (180deg=-0.496) USER MOD Single : A 40 SER OG : rot 3:sc= 0.771 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 164:sc=-0.00819 (180deg=-0.177) USER MOD Single : A 45 LYS NZ :NH3+ 173:sc= -1.29 (180deg=-1.65) USER MOD Single : A 48 GLN :FLIP amide:sc= -0.012 F(o=-1.6!,f=-0.012) USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot -60:sc= 1.09 USER MOD Single : A 74 ASN : amide:sc= -2.05! C(o=-2!,f=-3.3!) USER MOD Single : A 75 HIS : no HE2:sc= -2.25! C(o=-2.2!,f=-5.4!) USER MOD Single : A 79 HIS :FLIP no HE2:sc= 0.0178 F(o=-0.92,f=0.018) USER MOD Single : A 83 GLN : amide:sc= -0.272 X(o=-0.27,f=-0.25) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 60.994 13.485 16.307 1.00 1.00 N ATOM 2 CA MET A 1 60.152 12.326 15.898 1.00 1.00 C ATOM 3 C MET A 1 58.674 12.711 15.993 1.00 1.00 C ATOM 4 O MET A 1 58.046 12.550 17.021 1.00 1.00 O ATOM 5 CB MET A 1 60.431 11.141 16.825 1.00 1.00 C ATOM 6 CG MET A 1 61.910 10.760 16.736 1.00 1.00 C ATOM 7 SD MET A 1 62.263 9.434 17.916 1.00 1.00 S ATOM 8 CE MET A 1 63.990 9.165 17.445 1.00 1.00 C ATOM 0 H1 MET A 1 61.932 13.406 15.865 1.00 1.00 H new ATOM 0 H2 MET A 1 60.540 14.369 16.000 1.00 1.00 H new ATOM 0 H3 MET A 1 61.098 13.490 17.342 1.00 1.00 H new ATOM 0 HA MET A 1 60.390 12.048 14.871 1.00 1.00 H new ATOM 0 HB2 MET A 1 60.173 11.400 17.852 1.00 1.00 H new ATOM 0 HB3 MET A 1 59.808 10.292 16.544 1.00 1.00 H new ATOM 0 HG2 MET A 1 62.153 10.435 15.724 1.00 1.00 H new ATOM 0 HG3 MET A 1 62.534 11.628 16.950 1.00 1.00 H new ATOM 0 HE1 MET A 1 64.415 8.371 18.059 1.00 1.00 H new ATOM 0 HE2 MET A 1 64.040 8.877 16.395 1.00 1.00 H new ATOM 0 HE3 MET A 1 64.556 10.084 17.597 1.00 1.00 H new ATOM 17 N ASN A 2 58.113 13.218 14.929 1.00 1.00 N ATOM 18 CA ASN A 2 56.676 13.612 14.961 1.00 1.00 C ATOM 19 C ASN A 2 55.802 12.359 14.868 1.00 1.00 C ATOM 20 O ASN A 2 55.727 11.574 15.792 1.00 1.00 O ATOM 21 CB ASN A 2 56.373 14.537 13.780 1.00 1.00 C ATOM 22 CG ASN A 2 56.964 13.943 12.500 1.00 1.00 C ATOM 23 OD1 ASN A 2 58.135 13.621 12.450 1.00 1.00 O ATOM 24 ND2 ASN A 2 56.198 13.782 11.456 1.00 1.00 N ATOM 0 H ASN A 2 58.587 13.376 14.040 1.00 1.00 H new ATOM 0 HA ASN A 2 56.463 14.135 15.893 1.00 1.00 H new ATOM 0 HB2 ASN A 2 55.296 14.664 13.671 1.00 1.00 H new ATOM 0 HB3 ASN A 2 56.793 15.526 13.962 1.00 1.00 H new ATOM 0 HD21 ASN A 2 56.582 13.386 10.598 1.00 1.00 H new ATOM 0 HD22 ASN A 2 55.215 14.052 11.498 1.00 1.00 H new ATOM 31 N LEU A 3 55.139 12.166 13.760 1.00 1.00 N ATOM 32 CA LEU A 3 54.270 10.963 13.612 1.00 1.00 C ATOM 33 C LEU A 3 54.055 10.670 12.124 1.00 1.00 C ATOM 34 O LEU A 3 53.284 11.330 11.457 1.00 1.00 O ATOM 35 CB LEU A 3 52.919 11.226 14.287 1.00 1.00 C ATOM 36 CG LEU A 3 52.272 9.895 14.672 1.00 1.00 C ATOM 37 CD1 LEU A 3 50.940 10.159 15.377 1.00 1.00 C ATOM 38 CD2 LEU A 3 52.023 9.066 13.410 1.00 1.00 C ATOM 0 H LEU A 3 55.161 12.788 12.952 1.00 1.00 H new ATOM 0 HA LEU A 3 54.749 10.105 14.083 1.00 1.00 H new ATOM 0 HB2 LEU A 3 53.058 11.845 15.174 1.00 1.00 H new ATOM 0 HB3 LEU A 3 52.265 11.778 13.612 1.00 1.00 H new ATOM 0 HG LEU A 3 52.936 9.349 15.342 1.00 1.00 H new ATOM 0 HD11 LEU A 3 50.479 9.210 15.651 1.00 1.00 H new ATOM 0 HD12 LEU A 3 51.115 10.751 16.276 1.00 1.00 H new ATOM 0 HD13 LEU A 3 50.276 10.705 14.707 1.00 1.00 H new ATOM 0 HD21 LEU A 3 51.562 8.117 13.683 1.00 1.00 H new ATOM 0 HD22 LEU A 3 51.359 9.613 12.741 1.00 1.00 H new ATOM 0 HD23 LEU A 3 52.971 8.877 12.906 1.00 1.00 H new ATOM 50 N GLU A 4 54.732 9.683 11.600 1.00 1.00 N ATOM 51 CA GLU A 4 54.566 9.345 10.156 1.00 1.00 C ATOM 52 C GLU A 4 53.442 8.313 10.004 1.00 1.00 C ATOM 53 O GLU A 4 53.141 7.577 10.922 1.00 1.00 O ATOM 54 CB GLU A 4 55.880 8.757 9.621 1.00 1.00 C ATOM 55 CG GLU A 4 56.752 9.881 9.058 1.00 1.00 C ATOM 56 CD GLU A 4 56.974 10.944 10.136 1.00 1.00 C ATOM 57 OE1 GLU A 4 56.011 11.594 10.507 1.00 1.00 O ATOM 58 OE2 GLU A 4 58.105 11.089 10.572 1.00 1.00 O ATOM 0 H GLU A 4 55.393 9.096 12.109 1.00 1.00 H new ATOM 0 HA GLU A 4 54.313 10.243 9.593 1.00 1.00 H new ATOM 0 HB2 GLU A 4 56.409 8.237 10.419 1.00 1.00 H new ATOM 0 HB3 GLU A 4 55.672 8.021 8.845 1.00 1.00 H new ATOM 0 HG2 GLU A 4 57.709 9.481 8.725 1.00 1.00 H new ATOM 0 HG3 GLU A 4 56.272 10.326 8.187 1.00 1.00 H new ATOM 65 N PRO A 5 52.830 8.255 8.848 1.00 1.00 N ATOM 66 CA PRO A 5 51.729 7.294 8.571 1.00 1.00 C ATOM 67 C PRO A 5 51.996 5.919 9.199 1.00 1.00 C ATOM 68 O PRO A 5 53.127 5.563 9.464 1.00 1.00 O ATOM 69 CB PRO A 5 51.725 7.201 7.044 1.00 1.00 C ATOM 70 CG PRO A 5 52.223 8.528 6.571 1.00 1.00 C ATOM 71 CD PRO A 5 53.122 9.096 7.676 1.00 1.00 C ATOM 0 HA PRO A 5 50.777 7.618 8.992 1.00 1.00 H new ATOM 0 HB2 PRO A 5 52.368 6.392 6.697 1.00 1.00 H new ATOM 0 HB3 PRO A 5 50.724 6.998 6.664 1.00 1.00 H new ATOM 0 HG2 PRO A 5 52.779 8.420 5.640 1.00 1.00 H new ATOM 0 HG3 PRO A 5 51.390 9.201 6.369 1.00 1.00 H new ATOM 0 HD2 PRO A 5 54.175 9.042 7.400 1.00 1.00 H new ATOM 0 HD3 PRO A 5 52.897 10.144 7.872 1.00 1.00 H new ATOM 79 N PRO A 6 50.963 5.152 9.436 1.00 1.00 N ATOM 80 CA PRO A 6 51.092 3.794 10.044 1.00 1.00 C ATOM 81 C PRO A 6 51.805 2.810 9.109 1.00 1.00 C ATOM 82 O PRO A 6 51.968 3.066 7.932 1.00 1.00 O ATOM 83 CB PRO A 6 49.642 3.356 10.290 1.00 1.00 C ATOM 84 CG PRO A 6 48.817 4.171 9.350 1.00 1.00 C ATOM 85 CD PRO A 6 49.561 5.492 9.148 1.00 1.00 C ATOM 0 HA PRO A 6 51.693 3.813 10.953 1.00 1.00 H new ATOM 0 HB2 PRO A 6 49.516 2.290 10.100 1.00 1.00 H new ATOM 0 HB3 PRO A 6 49.348 3.533 11.325 1.00 1.00 H new ATOM 0 HG2 PRO A 6 48.685 3.652 8.401 1.00 1.00 H new ATOM 0 HG3 PRO A 6 47.822 4.345 9.759 1.00 1.00 H new ATOM 0 HD2 PRO A 6 49.441 5.868 8.132 1.00 1.00 H new ATOM 0 HD3 PRO A 6 49.191 6.266 9.820 1.00 1.00 H new ATOM 93 N LYS A 7 52.233 1.689 9.626 1.00 1.00 N ATOM 94 CA LYS A 7 52.937 0.689 8.772 1.00 1.00 C ATOM 95 C LYS A 7 52.524 -0.723 9.195 1.00 1.00 C ATOM 96 O LYS A 7 53.198 -1.371 9.971 1.00 1.00 O ATOM 97 CB LYS A 7 54.451 0.850 8.943 1.00 1.00 C ATOM 98 CG LYS A 7 54.778 1.087 10.419 1.00 1.00 C ATOM 99 CD LYS A 7 56.237 0.712 10.686 1.00 1.00 C ATOM 100 CE LYS A 7 56.546 0.891 12.173 1.00 1.00 C ATOM 101 NZ LYS A 7 57.740 0.075 12.534 1.00 1.00 N ATOM 0 H LYS A 7 52.125 1.423 10.605 1.00 1.00 H new ATOM 0 HA LYS A 7 52.669 0.849 7.728 1.00 1.00 H new ATOM 0 HB2 LYS A 7 54.965 -0.042 8.585 1.00 1.00 H new ATOM 0 HB3 LYS A 7 54.808 1.686 8.342 1.00 1.00 H new ATOM 0 HG2 LYS A 7 54.607 2.132 10.677 1.00 1.00 H new ATOM 0 HG3 LYS A 7 54.117 0.491 11.049 1.00 1.00 H new ATOM 0 HD2 LYS A 7 56.419 -0.321 10.388 1.00 1.00 H new ATOM 0 HD3 LYS A 7 56.900 1.338 10.088 1.00 1.00 H new ATOM 0 HE2 LYS A 7 56.731 1.942 12.393 1.00 1.00 H new ATOM 0 HE3 LYS A 7 55.689 0.586 12.773 1.00 1.00 H new ATOM 0 HZ1 LYS A 7 58.270 0.551 13.292 1.00 1.00 H new ATOM 0 HZ2 LYS A 7 57.433 -0.863 12.863 1.00 1.00 H new ATOM 0 HZ3 LYS A 7 58.351 -0.034 11.700 1.00 1.00 H new ATOM 115 N ALA A 8 51.422 -1.206 8.690 1.00 1.00 N ATOM 116 CA ALA A 8 50.968 -2.577 9.063 1.00 1.00 C ATOM 117 C ALA A 8 50.170 -3.183 7.907 1.00 1.00 C ATOM 118 O ALA A 8 49.009 -3.510 8.047 1.00 1.00 O ATOM 119 CB ALA A 8 50.080 -2.498 10.307 1.00 1.00 C ATOM 0 H ALA A 8 50.816 -0.711 8.035 1.00 1.00 H new ATOM 0 HA ALA A 8 51.836 -3.202 9.273 1.00 1.00 H new ATOM 0 HB1 ALA A 8 49.747 -3.499 10.581 1.00 1.00 H new ATOM 0 HB2 ALA A 8 50.647 -2.066 11.132 1.00 1.00 H new ATOM 0 HB3 ALA A 8 49.213 -1.873 10.096 1.00 1.00 H new ATOM 125 N GLU A 9 50.785 -3.337 6.766 1.00 1.00 N ATOM 126 CA GLU A 9 50.063 -3.923 5.602 1.00 1.00 C ATOM 127 C GLU A 9 51.022 -4.046 4.416 1.00 1.00 C ATOM 128 O GLU A 9 50.616 -4.304 3.301 1.00 1.00 O ATOM 129 CB GLU A 9 48.890 -3.016 5.219 1.00 1.00 C ATOM 130 CG GLU A 9 49.346 -1.556 5.236 1.00 1.00 C ATOM 131 CD GLU A 9 48.208 -0.659 4.745 1.00 1.00 C ATOM 132 OE1 GLU A 9 47.137 -1.183 4.487 1.00 1.00 O ATOM 133 OE2 GLU A 9 48.426 0.536 4.637 1.00 1.00 O ATOM 0 H GLU A 9 51.757 -3.082 6.590 1.00 1.00 H new ATOM 0 HA GLU A 9 49.686 -4.911 5.868 1.00 1.00 H new ATOM 0 HB2 GLU A 9 48.520 -3.281 4.228 1.00 1.00 H new ATOM 0 HB3 GLU A 9 48.064 -3.158 5.916 1.00 1.00 H new ATOM 0 HG2 GLU A 9 49.641 -1.268 6.245 1.00 1.00 H new ATOM 0 HG3 GLU A 9 50.222 -1.430 4.600 1.00 1.00 H new ATOM 140 N CYS A 10 52.294 -3.864 4.649 1.00 1.00 N ATOM 141 CA CYS A 10 53.279 -3.969 3.536 1.00 1.00 C ATOM 142 C CYS A 10 53.238 -5.383 2.951 1.00 1.00 C ATOM 143 O CYS A 10 52.306 -6.130 3.173 1.00 1.00 O ATOM 144 CB CYS A 10 54.683 -3.678 4.070 1.00 1.00 C ATOM 145 SG CYS A 10 55.075 -4.838 5.403 1.00 1.00 S ATOM 0 H CYS A 10 52.693 -3.647 5.562 1.00 1.00 H new ATOM 0 HA CYS A 10 53.029 -3.247 2.759 1.00 1.00 H new ATOM 0 HB2 CYS A 10 55.415 -3.769 3.267 1.00 1.00 H new ATOM 0 HB3 CYS A 10 54.739 -2.653 4.437 1.00 1.00 H new ATOM 150 N ARG A 11 54.241 -5.754 2.202 1.00 1.00 N ATOM 151 CA ARG A 11 54.260 -7.118 1.600 1.00 1.00 C ATOM 152 C ARG A 11 53.034 -7.295 0.700 1.00 1.00 C ATOM 153 O ARG A 11 51.914 -7.354 1.166 1.00 1.00 O ATOM 154 CB ARG A 11 54.236 -8.169 2.713 1.00 1.00 C ATOM 155 CG ARG A 11 54.723 -9.510 2.160 1.00 1.00 C ATOM 156 CD ARG A 11 54.562 -10.592 3.229 1.00 1.00 C ATOM 157 NE ARG A 11 55.444 -11.748 2.903 1.00 1.00 N ATOM 158 CZ ARG A 11 55.312 -12.873 3.550 1.00 1.00 C ATOM 159 NH1 ARG A 11 54.406 -12.987 4.483 1.00 1.00 N ATOM 160 NH2 ARG A 11 56.084 -13.885 3.265 1.00 1.00 N ATOM 0 H ARG A 11 55.048 -5.171 1.981 1.00 1.00 H new ATOM 0 HA ARG A 11 55.166 -7.241 1.007 1.00 1.00 H new ATOM 0 HB2 ARG A 11 54.871 -7.852 3.540 1.00 1.00 H new ATOM 0 HB3 ARG A 11 53.226 -8.272 3.109 1.00 1.00 H new ATOM 0 HG2 ARG A 11 54.154 -9.776 1.269 1.00 1.00 H new ATOM 0 HG3 ARG A 11 55.768 -9.434 1.859 1.00 1.00 H new ATOM 0 HD2 ARG A 11 54.818 -10.191 4.209 1.00 1.00 H new ATOM 0 HD3 ARG A 11 53.523 -10.917 3.279 1.00 1.00 H new ATOM 0 HE ARG A 11 56.151 -11.660 2.173 1.00 1.00 H new ATOM 0 HH11 ARG A 11 53.801 -12.196 4.706 1.00 1.00 H new ATOM 0 HH12 ARG A 11 54.303 -13.867 4.989 1.00 1.00 H new ATOM 0 HH21 ARG A 11 56.792 -13.797 2.536 1.00 1.00 H new ATOM 0 HH22 ARG A 11 55.980 -14.764 3.771 1.00 1.00 H new ATOM 174 N SER A 12 53.237 -7.379 -0.587 1.00 1.00 N ATOM 175 CA SER A 12 52.082 -7.551 -1.513 1.00 1.00 C ATOM 176 C SER A 12 52.595 -7.871 -2.919 1.00 1.00 C ATOM 177 O SER A 12 52.127 -8.786 -3.567 1.00 1.00 O ATOM 178 CB SER A 12 51.265 -6.259 -1.551 1.00 1.00 C ATOM 179 OG SER A 12 50.372 -6.302 -2.655 1.00 1.00 O ATOM 0 H SER A 12 54.152 -7.336 -1.036 1.00 1.00 H new ATOM 0 HA SER A 12 51.454 -8.370 -1.162 1.00 1.00 H new ATOM 0 HB2 SER A 12 50.708 -6.140 -0.622 1.00 1.00 H new ATOM 0 HB3 SER A 12 51.928 -5.398 -1.638 1.00 1.00 H new ATOM 0 HG SER A 12 49.845 -5.476 -2.682 1.00 1.00 H new ATOM 185 N ALA A 13 53.553 -7.124 -3.396 1.00 1.00 N ATOM 186 CA ALA A 13 54.093 -7.386 -4.761 1.00 1.00 C ATOM 187 C ALA A 13 54.922 -8.672 -4.745 1.00 1.00 C ATOM 188 O ALA A 13 55.549 -9.028 -5.723 1.00 1.00 O ATOM 189 CB ALA A 13 54.977 -6.214 -5.192 1.00 1.00 C ATOM 0 H ALA A 13 53.985 -6.344 -2.900 1.00 1.00 H new ATOM 0 HA ALA A 13 53.267 -7.496 -5.464 1.00 1.00 H new ATOM 0 HB1 ALA A 13 55.372 -6.404 -6.190 1.00 1.00 H new ATOM 0 HB2 ALA A 13 54.386 -5.298 -5.204 1.00 1.00 H new ATOM 0 HB3 ALA A 13 55.803 -6.104 -4.489 1.00 1.00 H new ATOM 195 N THR A 14 54.933 -9.371 -3.643 1.00 1.00 N ATOM 196 CA THR A 14 55.723 -10.631 -3.564 1.00 1.00 C ATOM 197 C THR A 14 57.211 -10.298 -3.717 1.00 1.00 C ATOM 198 O THR A 14 57.594 -9.488 -4.538 1.00 1.00 O ATOM 199 CB THR A 14 55.255 -11.600 -4.670 1.00 1.00 C ATOM 200 OG1 THR A 14 54.806 -12.810 -4.078 1.00 1.00 O ATOM 201 CG2 THR A 14 56.418 -11.895 -5.619 1.00 1.00 C ATOM 0 H THR A 14 54.428 -9.123 -2.792 1.00 1.00 H new ATOM 0 HA THR A 14 55.571 -11.114 -2.599 1.00 1.00 H new ATOM 0 HB THR A 14 54.439 -11.144 -5.231 1.00 1.00 H new ATOM 0 HG1 THR A 14 54.507 -13.426 -4.779 1.00 1.00 H new ATOM 0 HG21 THR A 14 56.086 -12.580 -6.400 1.00 1.00 H new ATOM 0 HG22 THR A 14 56.762 -10.966 -6.073 1.00 1.00 H new ATOM 0 HG23 THR A 14 57.236 -12.350 -5.061 1.00 1.00 H new ATOM 209 N ARG A 15 58.050 -10.911 -2.929 1.00 1.00 N ATOM 210 CA ARG A 15 59.507 -10.623 -3.028 1.00 1.00 C ATOM 211 C ARG A 15 59.988 -10.919 -4.452 1.00 1.00 C ATOM 212 O ARG A 15 59.970 -12.048 -4.901 1.00 1.00 O ATOM 213 CB ARG A 15 60.270 -11.502 -2.028 1.00 1.00 C ATOM 214 CG ARG A 15 61.545 -10.784 -1.581 1.00 1.00 C ATOM 215 CD ARG A 15 61.174 -9.573 -0.722 1.00 1.00 C ATOM 216 NE ARG A 15 62.021 -9.557 0.504 1.00 1.00 N ATOM 217 CZ ARG A 15 63.293 -9.280 0.416 1.00 1.00 C ATOM 218 NH1 ARG A 15 63.824 -9.017 -0.747 1.00 1.00 N ATOM 219 NH2 ARG A 15 64.034 -9.266 1.490 1.00 1.00 N ATOM 0 H ARG A 15 57.790 -11.598 -2.222 1.00 1.00 H new ATOM 0 HA ARG A 15 59.690 -9.574 -2.797 1.00 1.00 H new ATOM 0 HB2 ARG A 15 59.641 -11.718 -1.165 1.00 1.00 H new ATOM 0 HB3 ARG A 15 60.521 -12.458 -2.487 1.00 1.00 H new ATOM 0 HG2 ARG A 15 62.179 -11.465 -1.014 1.00 1.00 H new ATOM 0 HG3 ARG A 15 62.119 -10.464 -2.451 1.00 1.00 H new ATOM 0 HD2 ARG A 15 61.318 -8.653 -1.289 1.00 1.00 H new ATOM 0 HD3 ARG A 15 60.120 -9.617 -0.448 1.00 1.00 H new ATOM 0 HE ARG A 15 61.606 -9.763 1.413 1.00 1.00 H new ATOM 0 HH11 ARG A 15 63.245 -9.028 -1.586 1.00 1.00 H new ATOM 0 HH12 ARG A 15 64.818 -8.800 -0.816 1.00 1.00 H new ATOM 0 HH21 ARG A 15 63.619 -9.472 2.399 1.00 1.00 H new ATOM 0 HH22 ARG A 15 65.028 -9.049 1.421 1.00 1.00 H new ATOM 233 N VAL A 16 60.415 -9.912 -5.167 1.00 1.00 N ATOM 234 CA VAL A 16 60.894 -10.131 -6.563 1.00 1.00 C ATOM 235 C VAL A 16 62.418 -10.260 -6.570 1.00 1.00 C ATOM 236 O VAL A 16 63.125 -9.408 -6.069 1.00 1.00 O ATOM 237 CB VAL A 16 60.482 -8.941 -7.432 1.00 1.00 C ATOM 238 CG1 VAL A 16 61.003 -9.143 -8.856 1.00 1.00 C ATOM 239 CG2 VAL A 16 58.956 -8.835 -7.459 1.00 1.00 C ATOM 0 H VAL A 16 60.453 -8.945 -4.844 1.00 1.00 H new ATOM 0 HA VAL A 16 60.452 -11.046 -6.958 1.00 1.00 H new ATOM 0 HB VAL A 16 60.904 -8.026 -7.017 1.00 1.00 H new ATOM 0 HG11 VAL A 16 60.709 -8.295 -9.475 1.00 1.00 H new ATOM 0 HG12 VAL A 16 62.090 -9.220 -8.838 1.00 1.00 H new ATOM 0 HG13 VAL A 16 60.581 -10.058 -9.271 1.00 1.00 H new ATOM 0 HG21 VAL A 16 58.661 -7.988 -8.078 1.00 1.00 H new ATOM 0 HG22 VAL A 16 58.535 -9.751 -7.874 1.00 1.00 H new ATOM 0 HG23 VAL A 16 58.583 -8.691 -6.445 1.00 1.00 H new ATOM 249 N MET A 17 62.931 -11.318 -7.137 1.00 1.00 N ATOM 250 CA MET A 17 64.411 -11.502 -7.179 1.00 1.00 C ATOM 251 C MET A 17 64.791 -12.271 -8.448 1.00 1.00 C ATOM 252 O MET A 17 65.323 -13.361 -8.391 1.00 1.00 O ATOM 253 CB MET A 17 64.868 -12.283 -5.940 1.00 1.00 C ATOM 254 CG MET A 17 63.760 -13.243 -5.502 1.00 1.00 C ATOM 255 SD MET A 17 63.309 -14.317 -6.887 1.00 1.00 S ATOM 256 CE MET A 17 62.544 -15.635 -5.912 1.00 1.00 C ATOM 0 H MET A 17 62.389 -12.064 -7.573 1.00 1.00 H new ATOM 0 HA MET A 17 64.900 -10.528 -7.187 1.00 1.00 H new ATOM 0 HB2 MET A 17 65.778 -12.840 -6.164 1.00 1.00 H new ATOM 0 HB3 MET A 17 65.107 -11.593 -5.130 1.00 1.00 H new ATOM 0 HG2 MET A 17 64.098 -13.844 -4.657 1.00 1.00 H new ATOM 0 HG3 MET A 17 62.889 -12.681 -5.166 1.00 1.00 H new ATOM 0 HE1 MET A 17 62.187 -16.420 -6.578 1.00 1.00 H new ATOM 0 HE2 MET A 17 63.279 -16.051 -5.222 1.00 1.00 H new ATOM 0 HE3 MET A 17 61.705 -15.229 -5.347 1.00 1.00 H new ATOM 266 N GLY A 18 64.521 -11.706 -9.596 1.00 1.00 N ATOM 267 CA GLY A 18 64.865 -12.395 -10.875 1.00 1.00 C ATOM 268 C GLY A 18 66.120 -11.759 -11.474 1.00 1.00 C ATOM 269 O GLY A 18 66.551 -10.702 -11.058 1.00 1.00 O ATOM 0 H GLY A 18 64.076 -10.795 -9.703 1.00 1.00 H new ATOM 0 HA2 GLY A 18 65.033 -13.457 -10.695 1.00 1.00 H new ATOM 0 HA3 GLY A 18 64.035 -12.318 -11.577 1.00 1.00 H new ATOM 273 N GLY A 19 66.709 -12.393 -12.450 1.00 1.00 N ATOM 274 CA GLY A 19 67.935 -11.824 -13.077 1.00 1.00 C ATOM 275 C GLY A 19 67.560 -10.598 -13.912 1.00 1.00 C ATOM 276 O GLY A 19 68.040 -9.507 -13.677 1.00 1.00 O ATOM 0 H GLY A 19 66.394 -13.281 -12.841 1.00 1.00 H new ATOM 0 HA2 GLY A 19 68.655 -11.546 -12.307 1.00 1.00 H new ATOM 0 HA3 GLY A 19 68.415 -12.573 -13.707 1.00 1.00 H new ATOM 280 N PRO A 20 66.704 -10.780 -14.882 1.00 1.00 N ATOM 281 CA PRO A 20 66.249 -9.673 -15.772 1.00 1.00 C ATOM 282 C PRO A 20 65.858 -8.419 -14.981 1.00 1.00 C ATOM 283 O PRO A 20 64.829 -8.378 -14.336 1.00 1.00 O ATOM 284 CB PRO A 20 65.031 -10.264 -16.487 1.00 1.00 C ATOM 285 CG PRO A 20 65.262 -11.739 -16.495 1.00 1.00 C ATOM 286 CD PRO A 20 66.076 -12.062 -15.240 1.00 1.00 C ATOM 0 HA PRO A 20 67.035 -9.346 -16.453 1.00 1.00 H new ATOM 0 HB2 PRO A 20 64.107 -10.013 -15.966 1.00 1.00 H new ATOM 0 HB3 PRO A 20 64.941 -9.874 -17.501 1.00 1.00 H new ATOM 0 HG2 PRO A 20 64.315 -12.279 -16.492 1.00 1.00 H new ATOM 0 HG3 PRO A 20 65.799 -12.042 -17.394 1.00 1.00 H new ATOM 0 HD2 PRO A 20 65.440 -12.433 -14.436 1.00 1.00 H new ATOM 0 HD3 PRO A 20 66.823 -12.831 -15.436 1.00 1.00 H new ATOM 294 N CYS A 21 66.674 -7.399 -15.028 1.00 1.00 N ATOM 295 CA CYS A 21 66.359 -6.146 -14.283 1.00 1.00 C ATOM 296 C CYS A 21 66.558 -4.942 -15.206 1.00 1.00 C ATOM 297 O CYS A 21 67.464 -4.913 -16.015 1.00 1.00 O ATOM 298 CB CYS A 21 67.293 -6.021 -13.078 1.00 1.00 C ATOM 299 SG CYS A 21 66.876 -7.290 -11.857 1.00 1.00 S ATOM 0 H CYS A 21 67.548 -7.381 -15.553 1.00 1.00 H new ATOM 0 HA CYS A 21 65.325 -6.177 -13.941 1.00 1.00 H new ATOM 0 HB2 CYS A 21 68.330 -6.133 -13.395 1.00 1.00 H new ATOM 0 HB3 CYS A 21 67.201 -5.030 -12.634 1.00 1.00 H new ATOM 304 N THR A 22 65.721 -3.948 -15.092 1.00 1.00 N ATOM 305 CA THR A 22 65.870 -2.749 -15.964 1.00 1.00 C ATOM 306 C THR A 22 67.273 -2.156 -15.774 1.00 1.00 C ATOM 307 O THR A 22 67.603 -1.683 -14.704 1.00 1.00 O ATOM 308 CB THR A 22 64.822 -1.704 -15.571 1.00 1.00 C ATOM 309 OG1 THR A 22 63.562 -2.339 -15.407 1.00 1.00 O ATOM 310 CG2 THR A 22 64.722 -0.641 -16.667 1.00 1.00 C ATOM 0 H THR A 22 64.942 -3.914 -14.434 1.00 1.00 H new ATOM 0 HA THR A 22 65.730 -3.034 -17.007 1.00 1.00 H new ATOM 0 HB THR A 22 65.115 -1.229 -14.635 1.00 1.00 H new ATOM 0 HG1 THR A 22 62.890 -1.672 -15.154 1.00 1.00 H new ATOM 0 HG21 THR A 22 63.976 0.102 -16.386 1.00 1.00 H new ATOM 0 HG22 THR A 22 65.689 -0.155 -16.792 1.00 1.00 H new ATOM 0 HG23 THR A 22 64.429 -1.112 -17.605 1.00 1.00 H new ATOM 318 N PRO A 23 68.101 -2.178 -16.793 1.00 1.00 N ATOM 319 CA PRO A 23 69.484 -1.629 -16.707 1.00 1.00 C ATOM 320 C PRO A 23 69.529 -0.281 -15.980 1.00 1.00 C ATOM 321 O PRO A 23 69.119 0.735 -16.507 1.00 1.00 O ATOM 322 CB PRO A 23 69.897 -1.471 -18.170 1.00 1.00 C ATOM 323 CG PRO A 23 69.125 -2.520 -18.901 1.00 1.00 C ATOM 324 CD PRO A 23 67.816 -2.724 -18.130 1.00 1.00 C ATOM 0 HA PRO A 23 70.148 -2.278 -16.136 1.00 1.00 H new ATOM 0 HB2 PRO A 23 69.660 -0.474 -18.542 1.00 1.00 H new ATOM 0 HB3 PRO A 23 70.971 -1.611 -18.295 1.00 1.00 H new ATOM 0 HG2 PRO A 23 68.925 -2.209 -19.926 1.00 1.00 H new ATOM 0 HG3 PRO A 23 69.691 -3.450 -18.955 1.00 1.00 H new ATOM 0 HD2 PRO A 23 66.987 -2.201 -18.606 1.00 1.00 H new ATOM 0 HD3 PRO A 23 67.542 -3.778 -18.081 1.00 1.00 H new ATOM 332 N ARG A 24 70.023 -0.265 -14.772 1.00 1.00 N ATOM 333 CA ARG A 24 70.093 1.013 -14.008 1.00 1.00 C ATOM 334 C ARG A 24 70.853 2.056 -14.833 1.00 1.00 C ATOM 335 O ARG A 24 72.015 1.886 -15.146 1.00 1.00 O ATOM 336 CB ARG A 24 70.822 0.775 -12.677 1.00 1.00 C ATOM 337 CG ARG A 24 69.802 0.441 -11.586 1.00 1.00 C ATOM 338 CD ARG A 24 69.203 -0.941 -11.852 1.00 1.00 C ATOM 339 NE ARG A 24 67.718 -0.834 -11.918 1.00 1.00 N ATOM 340 CZ ARG A 24 67.028 -0.654 -10.825 1.00 1.00 C ATOM 341 NH1 ARG A 24 67.638 -0.568 -9.675 1.00 1.00 N ATOM 342 NH2 ARG A 24 65.728 -0.561 -10.883 1.00 1.00 N ATOM 0 H ARG A 24 70.382 -1.083 -14.280 1.00 1.00 H new ATOM 0 HA ARG A 24 69.085 1.375 -13.806 1.00 1.00 H new ATOM 0 HB2 ARG A 24 71.537 -0.041 -12.783 1.00 1.00 H new ATOM 0 HB3 ARG A 24 71.390 1.662 -12.398 1.00 1.00 H new ATOM 0 HG2 ARG A 24 70.282 0.459 -10.607 1.00 1.00 H new ATOM 0 HG3 ARG A 24 69.013 1.193 -11.568 1.00 1.00 H new ATOM 0 HD2 ARG A 24 69.591 -1.344 -12.788 1.00 1.00 H new ATOM 0 HD3 ARG A 24 69.494 -1.633 -11.062 1.00 1.00 H new ATOM 0 HE ARG A 24 67.241 -0.901 -12.817 1.00 1.00 H new ATOM 0 HH11 ARG A 24 68.654 -0.641 -9.630 1.00 1.00 H new ATOM 0 HH12 ARG A 24 67.099 -0.427 -8.821 1.00 1.00 H new ATOM 0 HH21 ARG A 24 65.251 -0.629 -11.782 1.00 1.00 H new ATOM 0 HH22 ARG A 24 65.188 -0.420 -10.029 1.00 1.00 H new ATOM 356 N LYS A 25 70.203 3.135 -15.184 1.00 1.00 N ATOM 357 CA LYS A 25 70.877 4.199 -15.986 1.00 1.00 C ATOM 358 C LYS A 25 70.663 5.555 -15.308 1.00 1.00 C ATOM 359 O LYS A 25 69.547 5.967 -15.063 1.00 1.00 O ATOM 360 CB LYS A 25 70.272 4.228 -17.398 1.00 1.00 C ATOM 361 CG LYS A 25 71.360 4.575 -18.416 1.00 1.00 C ATOM 362 CD LYS A 25 72.134 3.309 -18.789 1.00 1.00 C ATOM 363 CE LYS A 25 71.448 2.621 -19.971 1.00 1.00 C ATOM 364 NZ LYS A 25 72.039 1.268 -20.169 1.00 1.00 N ATOM 0 H LYS A 25 69.229 3.326 -14.948 1.00 1.00 H new ATOM 0 HA LYS A 25 71.945 3.991 -16.052 1.00 1.00 H new ATOM 0 HB2 LYS A 25 69.833 3.259 -17.636 1.00 1.00 H new ATOM 0 HB3 LYS A 25 69.468 4.963 -17.445 1.00 1.00 H new ATOM 0 HG2 LYS A 25 70.912 5.016 -19.307 1.00 1.00 H new ATOM 0 HG3 LYS A 25 72.039 5.319 -17.999 1.00 1.00 H new ATOM 0 HD2 LYS A 25 73.162 3.562 -19.048 1.00 1.00 H new ATOM 0 HD3 LYS A 25 72.178 2.632 -17.936 1.00 1.00 H new ATOM 0 HE2 LYS A 25 70.377 2.538 -19.786 1.00 1.00 H new ATOM 0 HE3 LYS A 25 71.570 3.219 -20.874 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 71.573 0.800 -20.972 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 73.057 1.359 -20.364 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 71.901 0.699 -19.309 1.00 1.00 H new ATOM 378 N GLY A 26 71.723 6.255 -15.004 1.00 1.00 N ATOM 379 CA GLY A 26 71.570 7.583 -14.345 1.00 1.00 C ATOM 380 C GLY A 26 72.870 8.383 -14.489 1.00 1.00 C ATOM 381 O GLY A 26 73.928 7.824 -14.701 1.00 1.00 O ATOM 0 H GLY A 26 72.685 5.966 -15.183 1.00 1.00 H new ATOM 0 HA2 GLY A 26 70.743 8.131 -14.796 1.00 1.00 H new ATOM 0 HA3 GLY A 26 71.328 7.451 -13.291 1.00 1.00 H new ATOM 385 N PRO A 27 72.790 9.684 -14.371 1.00 1.00 N ATOM 386 CA PRO A 27 73.979 10.576 -14.484 1.00 1.00 C ATOM 387 C PRO A 27 75.195 10.024 -13.720 1.00 1.00 C ATOM 388 O PRO A 27 75.125 9.802 -12.527 1.00 1.00 O ATOM 389 CB PRO A 27 73.503 11.882 -13.844 1.00 1.00 C ATOM 390 CG PRO A 27 72.025 11.906 -14.057 1.00 1.00 C ATOM 391 CD PRO A 27 71.558 10.448 -14.115 1.00 1.00 C ATOM 0 HA PRO A 27 74.311 10.684 -15.517 1.00 1.00 H new ATOM 0 HB2 PRO A 27 73.748 11.913 -12.782 1.00 1.00 H new ATOM 0 HB3 PRO A 27 73.982 12.745 -14.307 1.00 1.00 H new ATOM 0 HG2 PRO A 27 71.527 12.439 -13.247 1.00 1.00 H new ATOM 0 HG3 PRO A 27 71.777 12.428 -14.981 1.00 1.00 H new ATOM 0 HD2 PRO A 27 71.087 10.143 -13.180 1.00 1.00 H new ATOM 0 HD3 PRO A 27 70.824 10.296 -14.906 1.00 1.00 H new ATOM 399 N PRO A 28 76.303 9.807 -14.389 1.00 1.00 N ATOM 400 CA PRO A 28 77.535 9.280 -13.734 1.00 1.00 C ATOM 401 C PRO A 28 77.820 9.983 -12.402 1.00 1.00 C ATOM 402 O PRO A 28 77.729 11.190 -12.297 1.00 1.00 O ATOM 403 CB PRO A 28 78.637 9.580 -14.752 1.00 1.00 C ATOM 404 CG PRO A 28 77.948 9.581 -16.077 1.00 1.00 C ATOM 405 CD PRO A 28 76.506 10.036 -15.829 1.00 1.00 C ATOM 0 HA PRO A 28 77.451 8.222 -13.487 1.00 1.00 H new ATOM 0 HB2 PRO A 28 79.109 10.542 -14.551 1.00 1.00 H new ATOM 0 HB3 PRO A 28 79.423 8.826 -14.716 1.00 1.00 H new ATOM 0 HG2 PRO A 28 78.451 10.253 -16.773 1.00 1.00 H new ATOM 0 HG3 PRO A 28 77.968 8.587 -16.523 1.00 1.00 H new ATOM 0 HD2 PRO A 28 76.368 11.085 -16.090 1.00 1.00 H new ATOM 0 HD3 PRO A 28 75.798 9.463 -16.428 1.00 1.00 H new ATOM 413 N LYS A 29 78.161 9.237 -11.384 1.00 1.00 N ATOM 414 CA LYS A 29 78.447 9.862 -10.058 1.00 1.00 C ATOM 415 C LYS A 29 79.694 9.213 -9.449 1.00 1.00 C ATOM 416 O LYS A 29 79.674 8.069 -9.043 1.00 1.00 O ATOM 417 CB LYS A 29 77.246 9.649 -9.128 1.00 1.00 C ATOM 418 CG LYS A 29 77.217 10.751 -8.067 1.00 1.00 C ATOM 419 CD LYS A 29 78.520 10.722 -7.265 1.00 1.00 C ATOM 420 CE LYS A 29 78.328 11.483 -5.952 1.00 1.00 C ATOM 421 NZ LYS A 29 79.658 11.751 -5.334 1.00 1.00 N ATOM 0 H LYS A 29 78.254 8.222 -11.413 1.00 1.00 H new ATOM 0 HA LYS A 29 78.622 10.930 -10.184 1.00 1.00 H new ATOM 0 HB2 LYS A 29 76.321 9.660 -9.704 1.00 1.00 H new ATOM 0 HB3 LYS A 29 77.312 8.672 -8.650 1.00 1.00 H new ATOM 0 HG2 LYS A 29 77.091 11.724 -8.542 1.00 1.00 H new ATOM 0 HG3 LYS A 29 76.365 10.608 -7.402 1.00 1.00 H new ATOM 0 HD2 LYS A 29 78.811 9.692 -7.061 1.00 1.00 H new ATOM 0 HD3 LYS A 29 79.326 11.172 -7.844 1.00 1.00 H new ATOM 0 HE2 LYS A 29 77.805 12.421 -6.136 1.00 1.00 H new ATOM 0 HE3 LYS A 29 77.708 10.901 -5.269 1.00 1.00 H new ATOM 0 HZ1 LYS A 29 79.528 12.268 -4.441 1.00 1.00 H new ATOM 0 HZ2 LYS A 29 80.141 10.850 -5.145 1.00 1.00 H new ATOM 0 HZ3 LYS A 29 80.234 12.322 -5.984 1.00 1.00 H new ATOM 435 N CYS A 30 80.780 9.938 -9.387 1.00 1.00 N ATOM 436 CA CYS A 30 82.030 9.368 -8.809 1.00 1.00 C ATOM 437 C CYS A 30 82.446 8.127 -9.603 1.00 1.00 C ATOM 438 O CYS A 30 83.493 7.556 -9.375 1.00 1.00 O ATOM 439 CB CYS A 30 81.789 8.982 -7.348 1.00 1.00 C ATOM 440 SG CYS A 30 83.378 8.706 -6.527 1.00 1.00 S ATOM 0 H CYS A 30 80.854 10.902 -9.713 1.00 1.00 H new ATOM 0 HA CYS A 30 82.824 10.113 -8.862 1.00 1.00 H new ATOM 0 HB2 CYS A 30 81.237 9.772 -6.838 1.00 1.00 H new ATOM 0 HB3 CYS A 30 81.179 8.081 -7.295 1.00 1.00 H new ATOM 445 N LYS A 31 81.636 7.705 -10.536 1.00 1.00 N ATOM 446 CA LYS A 31 81.990 6.503 -11.343 1.00 1.00 C ATOM 447 C LYS A 31 82.461 5.383 -10.409 1.00 1.00 C ATOM 448 O LYS A 31 82.008 5.266 -9.288 1.00 1.00 O ATOM 449 CB LYS A 31 83.114 6.865 -12.324 1.00 1.00 C ATOM 450 CG LYS A 31 83.062 5.931 -13.535 1.00 1.00 C ATOM 451 CD LYS A 31 82.106 6.506 -14.582 1.00 1.00 C ATOM 452 CE LYS A 31 81.948 5.508 -15.732 1.00 1.00 C ATOM 453 NZ LYS A 31 81.243 6.167 -16.867 1.00 1.00 N ATOM 0 H LYS A 31 80.745 8.141 -10.774 1.00 1.00 H new ATOM 0 HA LYS A 31 81.117 6.164 -11.900 1.00 1.00 H new ATOM 0 HB2 LYS A 31 83.009 7.901 -12.647 1.00 1.00 H new ATOM 0 HB3 LYS A 31 84.082 6.782 -11.830 1.00 1.00 H new ATOM 0 HG2 LYS A 31 84.058 5.815 -13.961 1.00 1.00 H new ATOM 0 HG3 LYS A 31 82.729 4.939 -13.229 1.00 1.00 H new ATOM 0 HD2 LYS A 31 81.136 6.712 -14.130 1.00 1.00 H new ATOM 0 HD3 LYS A 31 82.490 7.454 -14.959 1.00 1.00 H new ATOM 0 HE2 LYS A 31 82.926 5.151 -16.055 1.00 1.00 H new ATOM 0 HE3 LYS A 31 81.385 4.637 -15.397 1.00 1.00 H new ATOM 0 HZ1 LYS A 31 81.135 5.490 -17.649 1.00 1.00 H new ATOM 0 HZ2 LYS A 31 80.304 6.487 -16.554 1.00 1.00 H new ATOM 0 HZ3 LYS A 31 81.797 6.985 -17.192 1.00 1.00 H new ATOM 467 N GLN A 32 83.368 4.560 -10.865 1.00 1.00 N ATOM 468 CA GLN A 32 83.876 3.447 -10.010 1.00 1.00 C ATOM 469 C GLN A 32 85.393 3.338 -10.183 1.00 1.00 C ATOM 470 O GLN A 32 85.903 3.338 -11.286 1.00 1.00 O ATOM 471 CB GLN A 32 83.216 2.128 -10.438 1.00 1.00 C ATOM 472 CG GLN A 32 81.910 1.934 -9.664 1.00 1.00 C ATOM 473 CD GLN A 32 80.918 3.032 -10.053 1.00 1.00 C ATOM 474 OE1 GLN A 32 80.768 3.347 -11.217 1.00 1.00 O ATOM 475 NE2 GLN A 32 80.229 3.632 -9.121 1.00 1.00 N ATOM 0 H GLN A 32 83.780 4.611 -11.796 1.00 1.00 H new ATOM 0 HA GLN A 32 83.637 3.647 -8.965 1.00 1.00 H new ATOM 0 HB2 GLN A 32 83.017 2.140 -11.510 1.00 1.00 H new ATOM 0 HB3 GLN A 32 83.891 1.293 -10.248 1.00 1.00 H new ATOM 0 HG2 GLN A 32 81.487 0.953 -9.883 1.00 1.00 H new ATOM 0 HG3 GLN A 32 82.102 1.966 -8.592 1.00 1.00 H new ATOM 0 HE21 GLN A 32 80.355 3.368 -8.144 1.00 1.00 H new ATOM 0 HE22 GLN A 32 79.565 4.365 -9.370 1.00 1.00 H new ATOM 484 N ARG A 33 86.120 3.247 -9.103 1.00 1.00 N ATOM 485 CA ARG A 33 87.602 3.142 -9.212 1.00 1.00 C ATOM 486 C ARG A 33 88.204 2.901 -7.825 1.00 1.00 C ATOM 487 O ARG A 33 89.035 3.656 -7.360 1.00 1.00 O ATOM 488 CB ARG A 33 88.165 4.441 -9.795 1.00 1.00 C ATOM 489 CG ARG A 33 87.597 5.636 -9.027 1.00 1.00 C ATOM 490 CD ARG A 33 87.993 6.933 -9.735 1.00 1.00 C ATOM 491 NE ARG A 33 87.514 8.099 -8.940 1.00 1.00 N ATOM 492 CZ ARG A 33 87.338 9.255 -9.518 1.00 1.00 C ATOM 493 NH1 ARG A 33 87.583 9.391 -10.793 1.00 1.00 N ATOM 494 NH2 ARG A 33 86.919 10.276 -8.822 1.00 1.00 N ATOM 0 H ARG A 33 85.752 3.241 -8.152 1.00 1.00 H new ATOM 0 HA ARG A 33 87.858 2.309 -9.867 1.00 1.00 H new ATOM 0 HB2 ARG A 33 89.253 4.439 -9.731 1.00 1.00 H new ATOM 0 HB3 ARG A 33 87.908 4.519 -10.851 1.00 1.00 H new ATOM 0 HG2 ARG A 33 86.511 5.560 -8.966 1.00 1.00 H new ATOM 0 HG3 ARG A 33 87.975 5.637 -8.005 1.00 1.00 H new ATOM 0 HD2 ARG A 33 89.076 6.980 -9.853 1.00 1.00 H new ATOM 0 HD3 ARG A 33 87.562 6.960 -10.736 1.00 1.00 H new ATOM 0 HE ARG A 33 87.324 7.993 -7.944 1.00 1.00 H new ATOM 0 HH11 ARG A 33 87.912 8.593 -11.337 1.00 1.00 H new ATOM 0 HH12 ARG A 33 87.445 10.295 -11.245 1.00 1.00 H new ATOM 0 HH21 ARG A 33 86.729 10.170 -7.825 1.00 1.00 H new ATOM 0 HH22 ARG A 33 86.782 11.180 -9.274 1.00 1.00 H new ATOM 508 N GLN A 34 87.796 1.853 -7.162 1.00 1.00 N ATOM 509 CA GLN A 34 88.350 1.566 -5.808 1.00 1.00 C ATOM 510 C GLN A 34 89.875 1.682 -5.848 1.00 1.00 C ATOM 511 O GLN A 34 90.550 0.904 -6.492 1.00 1.00 O ATOM 512 CB GLN A 34 87.956 0.149 -5.384 1.00 1.00 C ATOM 513 CG GLN A 34 88.511 -0.140 -3.988 1.00 1.00 C ATOM 514 CD GLN A 34 87.895 -1.433 -3.451 1.00 1.00 C ATOM 515 OE1 GLN A 34 86.851 -1.410 -2.830 1.00 1.00 O ATOM 516 NE2 GLN A 34 88.503 -2.568 -3.664 1.00 1.00 N ATOM 0 H GLN A 34 87.104 1.184 -7.499 1.00 1.00 H new ATOM 0 HA GLN A 34 87.949 2.283 -5.091 1.00 1.00 H new ATOM 0 HB2 GLN A 34 86.871 0.047 -5.384 1.00 1.00 H new ATOM 0 HB3 GLN A 34 88.344 -0.577 -6.099 1.00 1.00 H new ATOM 0 HG2 GLN A 34 89.596 -0.231 -4.028 1.00 1.00 H new ATOM 0 HG3 GLN A 34 88.286 0.689 -3.317 1.00 1.00 H new ATOM 0 HE21 GLN A 34 89.379 -2.587 -4.185 1.00 1.00 H new ATOM 0 HE22 GLN A 34 88.102 -3.436 -3.309 1.00 1.00 H new ATOM 525 N THR A 35 90.424 2.652 -5.169 1.00 1.00 N ATOM 526 CA THR A 35 91.905 2.822 -5.173 1.00 1.00 C ATOM 527 C THR A 35 92.562 1.642 -4.453 1.00 1.00 C ATOM 528 O THR A 35 93.439 0.991 -4.985 1.00 1.00 O ATOM 529 CB THR A 35 92.270 4.123 -4.455 1.00 1.00 C ATOM 530 OG1 THR A 35 91.439 5.172 -4.929 1.00 1.00 O ATOM 531 CG2 THR A 35 93.735 4.466 -4.729 1.00 1.00 C ATOM 0 H THR A 35 89.911 3.335 -4.611 1.00 1.00 H new ATOM 0 HA THR A 35 92.261 2.860 -6.203 1.00 1.00 H new ATOM 0 HB THR A 35 92.124 4.000 -3.382 1.00 1.00 H new ATOM 0 HG1 THR A 35 91.670 6.006 -4.469 1.00 1.00 H new ATOM 0 HG21 THR A 35 93.994 5.393 -4.217 1.00 1.00 H new ATOM 0 HG22 THR A 35 94.372 3.660 -4.364 1.00 1.00 H new ATOM 0 HG23 THR A 35 93.885 4.590 -5.801 1.00 1.00 H new ATOM 539 N ARG A 36 92.149 1.363 -3.247 1.00 1.00 N ATOM 540 CA ARG A 36 92.757 0.226 -2.499 1.00 1.00 C ATOM 541 C ARG A 36 91.958 -0.026 -1.219 1.00 1.00 C ATOM 542 O ARG A 36 92.400 0.279 -0.129 1.00 1.00 O ATOM 543 CB ARG A 36 94.206 0.569 -2.140 1.00 1.00 C ATOM 544 CG ARG A 36 94.958 -0.711 -1.768 1.00 1.00 C ATOM 545 CD ARG A 36 96.248 -0.349 -1.030 1.00 1.00 C ATOM 546 NE ARG A 36 95.949 -0.124 0.412 1.00 1.00 N ATOM 547 CZ ARG A 36 95.874 -1.138 1.229 1.00 1.00 C ATOM 548 NH1 ARG A 36 96.061 -2.350 0.784 1.00 1.00 N ATOM 549 NH2 ARG A 36 95.612 -0.940 2.492 1.00 1.00 N ATOM 0 H ARG A 36 91.419 1.872 -2.748 1.00 1.00 H new ATOM 0 HA ARG A 36 92.740 -0.670 -3.120 1.00 1.00 H new ATOM 0 HB2 ARG A 36 94.694 1.058 -2.983 1.00 1.00 H new ATOM 0 HB3 ARG A 36 94.229 1.272 -1.307 1.00 1.00 H new ATOM 0 HG2 ARG A 36 94.332 -1.343 -1.139 1.00 1.00 H new ATOM 0 HG3 ARG A 36 95.189 -1.284 -2.666 1.00 1.00 H new ATOM 0 HD2 ARG A 36 96.979 -1.150 -1.140 1.00 1.00 H new ATOM 0 HD3 ARG A 36 96.689 0.548 -1.465 1.00 1.00 H new ATOM 0 HE ARG A 36 95.803 0.823 0.761 1.00 1.00 H new ATOM 0 HH11 ARG A 36 96.266 -2.505 -0.203 1.00 1.00 H new ATOM 0 HH12 ARG A 36 96.002 -3.143 1.423 1.00 1.00 H new ATOM 0 HH21 ARG A 36 95.466 0.008 2.840 1.00 1.00 H new ATOM 0 HH22 ARG A 36 95.553 -1.733 3.131 1.00 1.00 H new ATOM 563 N GLN A 37 90.783 -0.581 -1.342 1.00 1.00 N ATOM 564 CA GLN A 37 89.955 -0.853 -0.134 1.00 1.00 C ATOM 565 C GLN A 37 89.925 0.392 0.757 1.00 1.00 C ATOM 566 O GLN A 37 89.458 1.440 0.357 1.00 1.00 O ATOM 567 CB GLN A 37 90.559 -2.026 0.644 1.00 1.00 C ATOM 568 CG GLN A 37 90.428 -3.308 -0.180 1.00 1.00 C ATOM 569 CD GLN A 37 89.008 -3.861 -0.043 1.00 1.00 C ATOM 570 OE1 GLN A 37 88.052 -3.212 -0.417 1.00 1.00 O ATOM 571 NE2 GLN A 37 88.829 -5.042 0.483 1.00 1.00 N ATOM 0 H GLN A 37 90.361 -0.858 -2.228 1.00 1.00 H new ATOM 0 HA GLN A 37 88.939 -1.104 -0.438 1.00 1.00 H new ATOM 0 HB2 GLN A 37 91.608 -1.828 0.864 1.00 1.00 H new ATOM 0 HB3 GLN A 37 90.049 -2.142 1.600 1.00 1.00 H new ATOM 0 HG2 GLN A 37 90.650 -3.104 -1.227 1.00 1.00 H new ATOM 0 HG3 GLN A 37 91.152 -4.048 0.161 1.00 1.00 H new ATOM 0 HE21 GLN A 37 89.632 -5.587 0.797 1.00 1.00 H new ATOM 0 HE22 GLN A 37 87.886 -5.420 0.580 1.00 1.00 H new ATOM 580 N CYS A 38 90.417 0.287 1.962 1.00 1.00 N ATOM 581 CA CYS A 38 90.414 1.465 2.874 1.00 1.00 C ATOM 582 C CYS A 38 90.937 1.044 4.250 1.00 1.00 C ATOM 583 O CYS A 38 91.843 1.646 4.791 1.00 1.00 O ATOM 584 CB CYS A 38 88.984 2.000 3.011 1.00 1.00 C ATOM 585 SG CYS A 38 88.789 3.473 1.977 1.00 1.00 S ATOM 0 H CYS A 38 90.821 -0.564 2.354 1.00 1.00 H new ATOM 0 HA CYS A 38 91.056 2.245 2.465 1.00 1.00 H new ATOM 0 HB2 CYS A 38 88.268 1.235 2.711 1.00 1.00 H new ATOM 0 HB3 CYS A 38 88.774 2.243 4.052 1.00 1.00 H new ATOM 590 N LYS A 39 90.367 0.017 4.820 1.00 1.00 N ATOM 591 CA LYS A 39 90.820 -0.447 6.163 1.00 1.00 C ATOM 592 C LYS A 39 90.637 0.677 7.184 1.00 1.00 C ATOM 593 O LYS A 39 90.814 1.841 6.884 1.00 1.00 O ATOM 594 CB LYS A 39 92.297 -0.848 6.102 1.00 1.00 C ATOM 595 CG LYS A 39 92.537 -1.732 4.876 1.00 1.00 C ATOM 596 CD LYS A 39 93.862 -2.480 5.037 1.00 1.00 C ATOM 597 CE LYS A 39 94.112 -3.347 3.802 1.00 1.00 C ATOM 598 NZ LYS A 39 95.484 -3.924 3.870 1.00 1.00 N ATOM 0 H LYS A 39 89.604 -0.523 4.412 1.00 1.00 H new ATOM 0 HA LYS A 39 90.225 -1.310 6.463 1.00 1.00 H new ATOM 0 HB2 LYS A 39 92.924 0.042 6.050 1.00 1.00 H new ATOM 0 HB3 LYS A 39 92.577 -1.383 7.009 1.00 1.00 H new ATOM 0 HG2 LYS A 39 91.718 -2.442 4.761 1.00 1.00 H new ATOM 0 HG3 LYS A 39 92.559 -1.122 3.973 1.00 1.00 H new ATOM 0 HD2 LYS A 39 94.679 -1.770 5.168 1.00 1.00 H new ATOM 0 HD3 LYS A 39 93.834 -3.102 5.932 1.00 1.00 H new ATOM 0 HE2 LYS A 39 93.372 -4.146 3.749 1.00 1.00 H new ATOM 0 HE3 LYS A 39 94.001 -2.750 2.897 1.00 1.00 H new ATOM 0 HZ1 LYS A 39 95.738 -4.326 2.945 1.00 1.00 H new ATOM 0 HZ2 LYS A 39 96.163 -3.177 4.121 1.00 1.00 H new ATOM 0 HZ3 LYS A 39 95.511 -4.672 4.592 1.00 1.00 H new ATOM 612 N SER A 40 90.283 0.335 8.392 1.00 1.00 N ATOM 613 CA SER A 40 90.086 1.375 9.441 1.00 1.00 C ATOM 614 C SER A 40 89.888 0.688 10.792 1.00 1.00 C ATOM 615 O SER A 40 90.176 1.244 11.833 1.00 1.00 O ATOM 616 CB SER A 40 88.850 2.210 9.107 1.00 1.00 C ATOM 617 OG SER A 40 89.148 3.075 8.020 1.00 1.00 O ATOM 0 H SER A 40 90.121 -0.624 8.699 1.00 1.00 H new ATOM 0 HA SER A 40 90.959 2.026 9.483 1.00 1.00 H new ATOM 0 HB2 SER A 40 88.015 1.558 8.850 1.00 1.00 H new ATOM 0 HB3 SER A 40 88.544 2.792 9.977 1.00 1.00 H new ATOM 0 HG SER A 40 90.059 2.901 7.704 1.00 1.00 H new ATOM 623 N LYS A 41 89.398 -0.523 10.779 1.00 1.00 N ATOM 624 CA LYS A 41 89.176 -1.265 12.053 1.00 1.00 C ATOM 625 C LYS A 41 89.629 -2.718 11.866 1.00 1.00 C ATOM 626 O LYS A 41 89.547 -3.259 10.781 1.00 1.00 O ATOM 627 CB LYS A 41 87.684 -1.231 12.402 1.00 1.00 C ATOM 628 CG LYS A 41 86.869 -1.788 11.233 1.00 1.00 C ATOM 629 CD LYS A 41 85.705 -0.843 10.926 1.00 1.00 C ATOM 630 CE LYS A 41 84.802 -1.473 9.864 1.00 1.00 C ATOM 631 NZ LYS A 41 83.949 -0.418 9.248 1.00 1.00 N ATOM 0 H LYS A 41 89.140 -1.033 9.934 1.00 1.00 H new ATOM 0 HA LYS A 41 89.746 -0.804 12.860 1.00 1.00 H new ATOM 0 HB2 LYS A 41 87.497 -1.819 13.301 1.00 1.00 H new ATOM 0 HB3 LYS A 41 87.375 -0.209 12.619 1.00 1.00 H new ATOM 0 HG2 LYS A 41 87.503 -1.898 10.354 1.00 1.00 H new ATOM 0 HG3 LYS A 41 86.491 -2.780 11.480 1.00 1.00 H new ATOM 0 HD2 LYS A 41 85.134 -0.646 11.833 1.00 1.00 H new ATOM 0 HD3 LYS A 41 86.085 0.116 10.573 1.00 1.00 H new ATOM 0 HE2 LYS A 41 85.407 -1.959 9.099 1.00 1.00 H new ATOM 0 HE3 LYS A 41 84.177 -2.244 10.314 1.00 1.00 H new ATOM 0 HZ1 LYS A 41 83.335 -0.846 8.526 1.00 1.00 H new ATOM 0 HZ2 LYS A 41 83.362 0.027 9.982 1.00 1.00 H new ATOM 0 HZ3 LYS A 41 84.554 0.303 8.805 1.00 1.00 H new ATOM 645 N PRO A 42 90.105 -3.348 12.910 1.00 1.00 N ATOM 646 CA PRO A 42 90.576 -4.763 12.840 1.00 1.00 C ATOM 647 C PRO A 42 89.434 -5.728 12.497 1.00 1.00 C ATOM 648 O PRO A 42 88.275 -5.418 12.689 1.00 1.00 O ATOM 649 CB PRO A 42 91.127 -5.047 14.246 1.00 1.00 C ATOM 650 CG PRO A 42 90.507 -4.018 15.134 1.00 1.00 C ATOM 651 CD PRO A 42 90.243 -2.789 14.263 1.00 1.00 C ATOM 0 HA PRO A 42 91.320 -4.905 12.056 1.00 1.00 H new ATOM 0 HB2 PRO A 42 90.868 -6.054 14.573 1.00 1.00 H new ATOM 0 HB3 PRO A 42 92.215 -4.976 14.263 1.00 1.00 H new ATOM 0 HG2 PRO A 42 89.580 -4.390 15.569 1.00 1.00 H new ATOM 0 HG3 PRO A 42 91.171 -3.770 15.962 1.00 1.00 H new ATOM 0 HD2 PRO A 42 89.340 -2.264 14.574 1.00 1.00 H new ATOM 0 HD3 PRO A 42 91.063 -2.074 14.320 1.00 1.00 H new ATOM 659 N PRO A 43 89.760 -6.889 11.990 1.00 1.00 N ATOM 660 CA PRO A 43 88.742 -7.913 11.611 1.00 1.00 C ATOM 661 C PRO A 43 88.043 -8.511 12.837 1.00 1.00 C ATOM 662 O PRO A 43 88.674 -9.061 13.717 1.00 1.00 O ATOM 663 CB PRO A 43 89.555 -8.984 10.874 1.00 1.00 C ATOM 664 CG PRO A 43 90.953 -8.831 11.374 1.00 1.00 C ATOM 665 CD PRO A 43 91.131 -7.353 11.726 1.00 1.00 C ATOM 0 HA PRO A 43 87.942 -7.487 11.005 1.00 1.00 H new ATOM 0 HB2 PRO A 43 89.170 -9.982 11.082 1.00 1.00 H new ATOM 0 HB3 PRO A 43 89.506 -8.842 9.794 1.00 1.00 H new ATOM 0 HG2 PRO A 43 91.123 -9.461 12.247 1.00 1.00 H new ATOM 0 HG3 PRO A 43 91.672 -9.138 10.615 1.00 1.00 H new ATOM 0 HD2 PRO A 43 91.772 -7.224 12.598 1.00 1.00 H new ATOM 0 HD3 PRO A 43 91.590 -6.799 10.907 1.00 1.00 H new ATOM 673 N LYS A 44 86.742 -8.408 12.893 1.00 1.00 N ATOM 674 CA LYS A 44 85.991 -8.965 14.055 1.00 1.00 C ATOM 675 C LYS A 44 84.489 -8.795 13.809 1.00 1.00 C ATOM 676 O LYS A 44 83.971 -9.174 12.777 1.00 1.00 O ATOM 677 CB LYS A 44 86.385 -8.213 15.332 1.00 1.00 C ATOM 678 CG LYS A 44 85.954 -9.021 16.557 1.00 1.00 C ATOM 679 CD LYS A 44 87.074 -9.984 16.955 1.00 1.00 C ATOM 680 CE LYS A 44 86.546 -10.985 17.985 1.00 1.00 C ATOM 681 NZ LYS A 44 85.703 -12.005 17.299 1.00 1.00 N ATOM 0 H LYS A 44 86.165 -7.960 12.181 1.00 1.00 H new ATOM 0 HA LYS A 44 86.230 -10.022 14.171 1.00 1.00 H new ATOM 0 HB2 LYS A 44 87.463 -8.050 15.352 1.00 1.00 H new ATOM 0 HB3 LYS A 44 85.913 -7.230 15.348 1.00 1.00 H new ATOM 0 HG2 LYS A 44 85.725 -8.351 17.386 1.00 1.00 H new ATOM 0 HG3 LYS A 44 85.043 -9.578 16.336 1.00 1.00 H new ATOM 0 HD2 LYS A 44 87.443 -10.512 16.076 1.00 1.00 H new ATOM 0 HD3 LYS A 44 87.915 -9.429 17.370 1.00 1.00 H new ATOM 0 HE2 LYS A 44 87.378 -11.469 18.497 1.00 1.00 H new ATOM 0 HE3 LYS A 44 85.962 -10.467 18.746 1.00 1.00 H new ATOM 0 HZ1 LYS A 44 85.568 -12.823 17.927 1.00 1.00 H new ATOM 0 HZ2 LYS A 44 84.778 -11.591 17.066 1.00 1.00 H new ATOM 0 HZ3 LYS A 44 86.174 -12.313 16.425 1.00 1.00 H new ATOM 695 N LYS A 45 83.789 -8.218 14.748 1.00 1.00 N ATOM 696 CA LYS A 45 82.323 -8.011 14.572 1.00 1.00 C ATOM 697 C LYS A 45 81.900 -6.772 15.366 1.00 1.00 C ATOM 698 O LYS A 45 81.384 -6.867 16.462 1.00 1.00 O ATOM 699 CB LYS A 45 81.565 -9.248 15.081 1.00 1.00 C ATOM 700 CG LYS A 45 81.095 -10.085 13.890 1.00 1.00 C ATOM 701 CD LYS A 45 80.509 -11.406 14.392 1.00 1.00 C ATOM 702 CE LYS A 45 81.576 -12.499 14.322 1.00 1.00 C ATOM 703 NZ LYS A 45 82.793 -12.053 15.058 1.00 1.00 N ATOM 0 H LYS A 45 84.170 -7.880 15.632 1.00 1.00 H new ATOM 0 HA LYS A 45 82.090 -7.865 13.517 1.00 1.00 H new ATOM 0 HB2 LYS A 45 82.211 -9.844 15.725 1.00 1.00 H new ATOM 0 HB3 LYS A 45 80.710 -8.941 15.683 1.00 1.00 H new ATOM 0 HG2 LYS A 45 80.345 -9.536 13.320 1.00 1.00 H new ATOM 0 HG3 LYS A 45 81.930 -10.278 13.216 1.00 1.00 H new ATOM 0 HD2 LYS A 45 80.156 -11.293 15.417 1.00 1.00 H new ATOM 0 HD3 LYS A 45 79.647 -11.686 13.787 1.00 1.00 H new ATOM 0 HE2 LYS A 45 81.194 -13.423 14.756 1.00 1.00 H new ATOM 0 HE3 LYS A 45 81.825 -12.713 13.283 1.00 1.00 H new ATOM 0 HZ1 LYS A 45 83.473 -12.838 15.113 1.00 1.00 H new ATOM 0 HZ2 LYS A 45 83.228 -11.253 14.556 1.00 1.00 H new ATOM 0 HZ3 LYS A 45 82.528 -11.757 16.019 1.00 1.00 H new ATOM 717 N GLY A 46 82.122 -5.607 14.820 1.00 1.00 N ATOM 718 CA GLY A 46 81.740 -4.360 15.540 1.00 1.00 C ATOM 719 C GLY A 46 80.217 -4.241 15.594 1.00 1.00 C ATOM 720 O GLY A 46 79.590 -3.747 14.678 1.00 1.00 O ATOM 0 H GLY A 46 82.552 -5.466 13.906 1.00 1.00 H new ATOM 0 HA2 GLY A 46 82.149 -4.372 16.550 1.00 1.00 H new ATOM 0 HA3 GLY A 46 82.164 -3.492 15.035 1.00 1.00 H new ATOM 724 N VAL A 47 79.617 -4.688 16.663 1.00 1.00 N ATOM 725 CA VAL A 47 78.135 -4.597 16.777 1.00 1.00 C ATOM 726 C VAL A 47 77.734 -3.133 16.971 1.00 1.00 C ATOM 727 O VAL A 47 76.587 -2.766 16.813 1.00 1.00 O ATOM 728 CB VAL A 47 77.666 -5.419 17.979 1.00 1.00 C ATOM 729 CG1 VAL A 47 77.870 -6.908 17.691 1.00 1.00 C ATOM 730 CG2 VAL A 47 78.479 -5.024 19.214 1.00 1.00 C ATOM 0 H VAL A 47 80.089 -5.112 17.462 1.00 1.00 H new ATOM 0 HA VAL A 47 77.672 -4.986 15.870 1.00 1.00 H new ATOM 0 HB VAL A 47 76.609 -5.226 18.161 1.00 1.00 H new ATOM 0 HG11 VAL A 47 77.536 -7.493 18.548 1.00 1.00 H new ATOM 0 HG12 VAL A 47 77.293 -7.191 16.811 1.00 1.00 H new ATOM 0 HG13 VAL A 47 78.927 -7.102 17.509 1.00 1.00 H new ATOM 0 HG21 VAL A 47 78.146 -5.609 20.071 1.00 1.00 H new ATOM 0 HG22 VAL A 47 79.536 -5.218 19.031 1.00 1.00 H new ATOM 0 HG23 VAL A 47 78.335 -3.963 19.420 1.00 1.00 H new ATOM 740 N GLN A 48 78.674 -2.296 17.313 1.00 1.00 N ATOM 741 CA GLN A 48 78.355 -0.855 17.518 1.00 1.00 C ATOM 742 C GLN A 48 77.707 -0.291 16.252 1.00 1.00 C ATOM 743 O GLN A 48 76.508 -0.108 16.185 1.00 1.00 O ATOM 744 CB GLN A 48 79.645 -0.089 17.817 1.00 1.00 C ATOM 745 CG GLN A 48 79.315 1.379 18.093 1.00 1.00 C ATOM 746 CD GLN A 48 80.525 2.064 18.731 1.00 1.00 C ATOM 747 OE1 GLN A 48 81.637 1.395 18.875 1.00 1.00 O flip ATOM 748 NE2 GLN A 48 80.459 3.218 19.103 1.00 1.00 N flip ATOM 0 H GLN A 48 79.651 -2.548 17.460 1.00 1.00 H new ATOM 0 HA GLN A 48 77.665 -0.749 18.355 1.00 1.00 H new ATOM 0 HB2 GLN A 48 80.149 -0.527 18.678 1.00 1.00 H new ATOM 0 HB3 GLN A 48 80.330 -0.166 16.973 1.00 1.00 H new ATOM 0 HG2 GLN A 48 79.046 1.883 17.165 1.00 1.00 H new ATOM 0 HG3 GLN A 48 78.452 1.450 18.756 1.00 1.00 H new ATOM 0 HE21 GLN A 48 79.591 3.741 18.991 1.00 1.00 H new ATOM 0 HE22 GLN A 48 81.272 3.664 19.528 1.00 1.00 H new ATOM 757 N GLY A 49 78.492 -0.015 15.247 1.00 1.00 N ATOM 758 CA GLY A 49 77.922 0.537 13.985 1.00 1.00 C ATOM 759 C GLY A 49 79.018 1.266 13.207 1.00 1.00 C ATOM 760 O GLY A 49 79.688 0.691 12.373 1.00 1.00 O ATOM 0 H GLY A 49 79.503 -0.148 15.245 1.00 1.00 H new ATOM 0 HA2 GLY A 49 77.505 -0.268 13.379 1.00 1.00 H new ATOM 0 HA3 GLY A 49 77.105 1.222 14.211 1.00 1.00 H new ATOM 764 N CYS A 50 79.208 2.529 13.475 1.00 1.00 N ATOM 765 CA CYS A 50 80.263 3.293 12.752 1.00 1.00 C ATOM 766 C CYS A 50 80.627 4.543 13.555 1.00 1.00 C ATOM 767 O CYS A 50 81.723 4.666 14.066 1.00 1.00 O ATOM 768 CB CYS A 50 79.740 3.707 11.375 1.00 1.00 C ATOM 769 SG CYS A 50 80.976 4.738 10.546 1.00 1.00 S ATOM 0 H CYS A 50 78.678 3.064 14.163 1.00 1.00 H new ATOM 0 HA CYS A 50 81.147 2.667 12.632 1.00 1.00 H new ATOM 0 HB2 CYS A 50 79.526 2.823 10.774 1.00 1.00 H new ATOM 0 HB3 CYS A 50 78.804 4.256 11.479 1.00 1.00 H new ATOM 774 N GLY A 51 79.717 5.471 13.671 1.00 1.00 N ATOM 775 CA GLY A 51 80.013 6.711 14.442 1.00 1.00 C ATOM 776 C GLY A 51 81.350 7.293 13.979 1.00 1.00 C ATOM 777 O GLY A 51 82.120 7.807 14.766 1.00 1.00 O ATOM 0 H GLY A 51 78.782 5.424 13.266 1.00 1.00 H new ATOM 0 HA2 GLY A 51 79.217 7.441 14.297 1.00 1.00 H new ATOM 0 HA3 GLY A 51 80.051 6.489 15.508 1.00 1.00 H new ATOM 781 N ASP A 52 81.631 7.218 12.706 1.00 1.00 N ATOM 782 CA ASP A 52 82.918 7.769 12.195 1.00 1.00 C ATOM 783 C ASP A 52 82.932 9.286 12.389 1.00 1.00 C ATOM 784 O ASP A 52 83.216 9.782 13.461 1.00 1.00 O ATOM 785 CB ASP A 52 83.058 7.442 10.706 1.00 1.00 C ATOM 786 CG ASP A 52 84.299 8.138 10.144 1.00 1.00 C ATOM 787 OD1 ASP A 52 85.392 7.774 10.547 1.00 1.00 O ATOM 788 OD2 ASP A 52 84.136 9.023 9.320 1.00 1.00 O ATOM 0 H ASP A 52 81.026 6.800 11.999 1.00 1.00 H new ATOM 0 HA ASP A 52 83.749 7.324 12.743 1.00 1.00 H new ATOM 0 HB2 ASP A 52 83.138 6.364 10.566 1.00 1.00 H new ATOM 0 HB3 ASP A 52 82.169 7.769 10.166 1.00 1.00 H new ATOM 793 N ASP A 53 82.625 10.028 11.360 1.00 1.00 N ATOM 794 CA ASP A 53 82.617 11.514 11.484 1.00 1.00 C ATOM 795 C ASP A 53 81.202 11.982 11.838 1.00 1.00 C ATOM 796 O ASP A 53 80.996 12.678 12.812 1.00 1.00 O ATOM 797 CB ASP A 53 83.056 12.136 10.157 1.00 1.00 C ATOM 798 CG ASP A 53 84.471 11.663 9.816 1.00 1.00 C ATOM 799 OD1 ASP A 53 85.014 10.885 10.582 1.00 1.00 O ATOM 800 OD2 ASP A 53 84.986 12.089 8.796 1.00 1.00 O ATOM 0 H ASP A 53 82.379 9.669 10.437 1.00 1.00 H new ATOM 0 HA ASP A 53 83.306 11.824 12.269 1.00 1.00 H new ATOM 0 HB2 ASP A 53 82.365 11.852 9.363 1.00 1.00 H new ATOM 0 HB3 ASP A 53 83.031 13.223 10.227 1.00 1.00 H new ATOM 805 N ILE A 54 80.224 11.591 11.062 1.00 1.00 N ATOM 806 CA ILE A 54 78.816 11.996 11.358 1.00 1.00 C ATOM 807 C ILE A 54 77.906 10.771 11.202 1.00 1.00 C ATOM 808 O ILE A 54 78.176 9.892 10.408 1.00 1.00 O ATOM 809 CB ILE A 54 78.365 13.091 10.379 1.00 1.00 C ATOM 810 CG1 ILE A 54 78.951 12.808 8.994 1.00 1.00 C ATOM 811 CG2 ILE A 54 78.859 14.452 10.871 1.00 1.00 C ATOM 812 CD1 ILE A 54 80.294 13.527 8.850 1.00 1.00 C ATOM 0 H ILE A 54 80.340 11.007 10.234 1.00 1.00 H new ATOM 0 HA ILE A 54 78.756 12.383 12.375 1.00 1.00 H new ATOM 0 HB ILE A 54 77.277 13.099 10.320 1.00 1.00 H new ATOM 0 HG12 ILE A 54 79.085 11.735 8.857 1.00 1.00 H new ATOM 0 HG13 ILE A 54 78.261 13.145 8.220 1.00 1.00 H new ATOM 0 HG21 ILE A 54 78.539 15.228 10.176 1.00 1.00 H new ATOM 0 HG22 ILE A 54 78.444 14.655 11.858 1.00 1.00 H new ATOM 0 HG23 ILE A 54 79.947 14.444 10.930 1.00 1.00 H new ATOM 0 HD11 ILE A 54 80.711 13.325 7.863 1.00 1.00 H new ATOM 0 HD12 ILE A 54 80.147 14.600 8.969 1.00 1.00 H new ATOM 0 HD13 ILE A 54 80.983 13.168 9.615 1.00 1.00 H new ATOM 824 N PRO A 55 76.833 10.712 11.952 1.00 1.00 N ATOM 825 CA PRO A 55 75.872 9.571 11.889 1.00 1.00 C ATOM 826 C PRO A 55 75.003 9.619 10.626 1.00 1.00 C ATOM 827 O PRO A 55 73.818 9.881 10.687 1.00 1.00 O ATOM 828 CB PRO A 55 75.013 9.760 13.142 1.00 1.00 C ATOM 829 CG PRO A 55 75.046 11.228 13.411 1.00 1.00 C ATOM 830 CD PRO A 55 76.415 11.724 12.937 1.00 1.00 C ATOM 0 HA PRO A 55 76.380 8.607 11.850 1.00 1.00 H new ATOM 0 HB2 PRO A 55 73.993 9.411 12.979 1.00 1.00 H new ATOM 0 HB3 PRO A 55 75.412 9.195 13.984 1.00 1.00 H new ATOM 0 HG2 PRO A 55 74.243 11.738 12.880 1.00 1.00 H new ATOM 0 HG3 PRO A 55 74.905 11.432 14.473 1.00 1.00 H new ATOM 0 HD2 PRO A 55 76.348 12.715 12.489 1.00 1.00 H new ATOM 0 HD3 PRO A 55 77.123 11.795 13.763 1.00 1.00 H new ATOM 838 N GLY A 56 75.584 9.369 9.482 1.00 1.00 N ATOM 839 CA GLY A 56 74.793 9.401 8.217 1.00 1.00 C ATOM 840 C GLY A 56 73.868 10.620 8.219 1.00 1.00 C ATOM 841 O GLY A 56 72.719 10.540 7.831 1.00 1.00 O ATOM 0 H GLY A 56 76.572 9.144 9.369 1.00 1.00 H new ATOM 0 HA2 GLY A 56 75.463 9.442 7.358 1.00 1.00 H new ATOM 0 HA3 GLY A 56 74.207 8.487 8.120 1.00 1.00 H new ATOM 845 N MET A 57 74.358 11.747 8.659 1.00 1.00 N ATOM 846 CA MET A 57 73.507 12.971 8.691 1.00 1.00 C ATOM 847 C MET A 57 72.272 12.708 9.557 1.00 1.00 C ATOM 848 O MET A 57 72.226 13.074 10.714 1.00 1.00 O ATOM 849 CB MET A 57 73.074 13.334 7.266 1.00 1.00 C ATOM 850 CG MET A 57 72.545 14.769 7.242 1.00 1.00 C ATOM 851 SD MET A 57 70.921 14.827 8.038 1.00 1.00 S ATOM 852 CE MET A 57 70.270 16.247 7.124 1.00 1.00 C ATOM 0 H MET A 57 75.312 11.873 8.998 1.00 1.00 H new ATOM 0 HA MET A 57 74.075 13.800 9.114 1.00 1.00 H new ATOM 0 HB2 MET A 57 73.917 13.235 6.582 1.00 1.00 H new ATOM 0 HB3 MET A 57 72.302 12.645 6.923 1.00 1.00 H new ATOM 0 HG2 MET A 57 73.239 15.432 7.758 1.00 1.00 H new ATOM 0 HG3 MET A 57 72.471 15.123 6.214 1.00 1.00 H new ATOM 0 HE1 MET A 57 69.256 16.463 7.462 1.00 1.00 H new ATOM 0 HE2 MET A 57 70.905 17.115 7.301 1.00 1.00 H new ATOM 0 HE3 MET A 57 70.256 16.019 6.058 1.00 1.00 H new ATOM 862 N GLU A 58 71.270 12.073 9.009 1.00 1.00 N ATOM 863 CA GLU A 58 70.043 11.787 9.804 1.00 1.00 C ATOM 864 C GLU A 58 70.210 10.450 10.530 1.00 1.00 C ATOM 865 O GLU A 58 69.684 10.247 11.606 1.00 1.00 O ATOM 866 CB GLU A 58 68.832 11.720 8.866 1.00 1.00 C ATOM 867 CG GLU A 58 67.609 11.223 9.640 1.00 1.00 C ATOM 868 CD GLU A 58 67.418 12.076 10.896 1.00 1.00 C ATOM 869 OE1 GLU A 58 67.361 13.287 10.762 1.00 1.00 O ATOM 870 OE2 GLU A 58 67.332 11.503 11.969 1.00 1.00 O ATOM 0 H GLU A 58 71.249 11.740 8.045 1.00 1.00 H new ATOM 0 HA GLU A 58 69.887 12.579 10.537 1.00 1.00 H new ATOM 0 HB2 GLU A 58 68.632 12.705 8.443 1.00 1.00 H new ATOM 0 HB3 GLU A 58 69.043 11.052 8.031 1.00 1.00 H new ATOM 0 HG2 GLU A 58 66.720 11.279 9.011 1.00 1.00 H new ATOM 0 HG3 GLU A 58 67.740 10.176 9.915 1.00 1.00 H new ATOM 877 N GLY A 59 70.940 9.536 9.950 1.00 1.00 N ATOM 878 CA GLY A 59 71.139 8.215 10.610 1.00 1.00 C ATOM 879 C GLY A 59 71.804 7.245 9.632 1.00 1.00 C ATOM 880 O GLY A 59 71.625 7.335 8.434 1.00 1.00 O ATOM 0 H GLY A 59 71.406 9.647 9.050 1.00 1.00 H new ATOM 0 HA2 GLY A 59 71.758 8.332 11.499 1.00 1.00 H new ATOM 0 HA3 GLY A 59 70.180 7.814 10.940 1.00 1.00 H new ATOM 884 N CYS A 60 72.569 6.315 10.136 1.00 1.00 N ATOM 885 CA CYS A 60 73.248 5.334 9.241 1.00 1.00 C ATOM 886 C CYS A 60 72.243 4.798 8.219 1.00 1.00 C ATOM 887 O CYS A 60 72.582 4.528 7.083 1.00 1.00 O ATOM 888 CB CYS A 60 73.800 4.179 10.085 1.00 1.00 C ATOM 889 SG CYS A 60 73.820 2.662 9.098 1.00 1.00 S ATOM 0 H CYS A 60 72.754 6.192 11.132 1.00 1.00 H new ATOM 0 HA CYS A 60 74.069 5.821 8.714 1.00 1.00 H new ATOM 0 HB2 CYS A 60 74.807 4.415 10.428 1.00 1.00 H new ATOM 0 HB3 CYS A 60 73.185 4.038 10.974 1.00 1.00 H new ATOM 894 N GLY A 61 71.010 4.642 8.610 1.00 1.00 N ATOM 895 CA GLY A 61 69.986 4.125 7.658 1.00 1.00 C ATOM 896 C GLY A 61 70.066 4.908 6.348 1.00 1.00 C ATOM 897 O GLY A 61 69.944 4.351 5.274 1.00 1.00 O ATOM 0 H GLY A 61 70.666 4.850 9.547 1.00 1.00 H new ATOM 0 HA2 GLY A 61 70.151 3.064 7.470 1.00 1.00 H new ATOM 0 HA3 GLY A 61 68.990 4.221 8.091 1.00 1.00 H new ATOM 901 N THR A 62 70.273 6.197 6.429 1.00 1.00 N ATOM 902 CA THR A 62 70.364 7.029 5.191 1.00 1.00 C ATOM 903 C THR A 62 69.337 6.547 4.163 1.00 1.00 C ATOM 904 O THR A 62 69.685 5.962 3.158 1.00 1.00 O ATOM 905 CB THR A 62 71.769 6.906 4.596 1.00 1.00 C ATOM 906 OG1 THR A 62 72.052 5.539 4.335 1.00 1.00 O ATOM 907 CG2 THR A 62 72.795 7.463 5.585 1.00 1.00 C ATOM 0 H THR A 62 70.383 6.712 7.303 1.00 1.00 H new ATOM 0 HA THR A 62 70.161 8.069 5.444 1.00 1.00 H new ATOM 0 HB THR A 62 71.821 7.472 3.666 1.00 1.00 H new ATOM 0 HG21 THR A 62 73.795 7.375 5.160 1.00 1.00 H new ATOM 0 HG22 THR A 62 72.576 8.512 5.784 1.00 1.00 H new ATOM 0 HG23 THR A 62 72.746 6.899 6.517 1.00 1.00 H new ATOM 915 N ASP A 63 68.077 6.783 4.406 1.00 1.00 N ATOM 916 CA ASP A 63 67.033 6.331 3.441 1.00 1.00 C ATOM 917 C ASP A 63 67.112 7.166 2.160 1.00 1.00 C ATOM 918 O ASP A 63 66.161 7.247 1.412 1.00 1.00 O ATOM 919 CB ASP A 63 65.650 6.503 4.074 1.00 1.00 C ATOM 920 CG ASP A 63 64.604 5.782 3.222 1.00 1.00 C ATOM 921 OD1 ASP A 63 64.652 4.565 3.165 1.00 1.00 O ATOM 922 OD2 ASP A 63 63.773 6.460 2.640 1.00 1.00 O ATOM 0 H ASP A 63 67.725 7.269 5.231 1.00 1.00 H new ATOM 0 HA ASP A 63 67.199 5.282 3.197 1.00 1.00 H new ATOM 0 HB2 ASP A 63 65.650 6.100 5.087 1.00 1.00 H new ATOM 0 HB3 ASP A 63 65.403 7.562 4.152 1.00 1.00 H new ATOM 927 N ILE A 64 68.247 7.772 1.904 1.00 1.00 N ATOM 928 CA ILE A 64 68.428 8.605 0.674 1.00 1.00 C ATOM 929 C ILE A 64 69.460 9.695 0.945 1.00 1.00 C ATOM 930 O ILE A 64 69.139 10.864 1.014 1.00 1.00 O ATOM 931 CB ILE A 64 67.108 9.262 0.234 1.00 1.00 C ATOM 932 CG1 ILE A 64 67.402 10.350 -0.801 1.00 1.00 C ATOM 933 CG2 ILE A 64 66.419 9.888 1.448 1.00 1.00 C ATOM 934 CD1 ILE A 64 66.304 10.351 -1.867 1.00 1.00 C ATOM 0 H ILE A 64 69.069 7.723 2.506 1.00 1.00 H new ATOM 0 HA ILE A 64 68.767 7.948 -0.127 1.00 1.00 H new ATOM 0 HB ILE A 64 66.455 8.507 -0.205 1.00 1.00 H new ATOM 0 HG12 ILE A 64 67.453 11.324 -0.315 1.00 1.00 H new ATOM 0 HG13 ILE A 64 68.373 10.173 -1.264 1.00 1.00 H new ATOM 0 HG21 ILE A 64 65.484 10.353 1.136 1.00 1.00 H new ATOM 0 HG22 ILE A 64 66.210 9.114 2.187 1.00 1.00 H new ATOM 0 HG23 ILE A 64 67.071 10.643 1.887 1.00 1.00 H new ATOM 0 HD11 ILE A 64 66.513 11.126 -2.604 1.00 1.00 H new ATOM 0 HD12 ILE A 64 66.275 9.379 -2.360 1.00 1.00 H new ATOM 0 HD13 ILE A 64 65.341 10.548 -1.397 1.00 1.00 H new ATOM 946 N THR A 65 70.705 9.338 1.063 1.00 1.00 N ATOM 947 CA THR A 65 71.734 10.381 1.278 1.00 1.00 C ATOM 948 C THR A 65 71.887 11.117 -0.048 1.00 1.00 C ATOM 949 O THR A 65 72.972 11.480 -0.458 1.00 1.00 O ATOM 950 CB THR A 65 73.063 9.735 1.681 1.00 1.00 C ATOM 951 OG1 THR A 65 74.114 10.676 1.514 1.00 1.00 O ATOM 952 CG2 THR A 65 73.325 8.511 0.802 1.00 1.00 C ATOM 0 H THR A 65 71.050 8.379 1.020 1.00 1.00 H new ATOM 0 HA THR A 65 71.444 11.064 2.076 1.00 1.00 H new ATOM 0 HB THR A 65 73.016 9.425 2.725 1.00 1.00 H new ATOM 0 HG1 THR A 65 74.157 10.956 0.576 1.00 1.00 H new ATOM 0 HG21 THR A 65 74.271 8.052 1.090 1.00 1.00 H new ATOM 0 HG22 THR A 65 72.518 7.790 0.932 1.00 1.00 H new ATOM 0 HG23 THR A 65 73.373 8.817 -0.243 1.00 1.00 H new ATOM 960 N VAL A 66 70.787 11.307 -0.734 1.00 1.00 N ATOM 961 CA VAL A 66 70.816 11.984 -2.056 1.00 1.00 C ATOM 962 C VAL A 66 71.432 11.026 -3.076 1.00 1.00 C ATOM 963 O VAL A 66 71.316 11.215 -4.271 1.00 1.00 O ATOM 964 CB VAL A 66 71.648 13.273 -1.970 1.00 1.00 C ATOM 965 CG1 VAL A 66 71.203 14.243 -3.066 1.00 1.00 C ATOM 966 CG2 VAL A 66 71.439 13.923 -0.600 1.00 1.00 C ATOM 0 H VAL A 66 69.860 11.015 -0.425 1.00 1.00 H new ATOM 0 HA VAL A 66 69.804 12.250 -2.361 1.00 1.00 H new ATOM 0 HB VAL A 66 72.703 13.034 -2.103 1.00 1.00 H new ATOM 0 HG11 VAL A 66 71.793 15.157 -3.005 1.00 1.00 H new ATOM 0 HG12 VAL A 66 71.350 13.781 -4.042 1.00 1.00 H new ATOM 0 HG13 VAL A 66 70.148 14.483 -2.933 1.00 1.00 H new ATOM 0 HG21 VAL A 66 72.029 14.838 -0.537 1.00 1.00 H new ATOM 0 HG22 VAL A 66 70.384 14.162 -0.468 1.00 1.00 H new ATOM 0 HG23 VAL A 66 71.756 13.233 0.182 1.00 1.00 H new ATOM 976 N ILE A 67 72.082 9.990 -2.606 1.00 1.00 N ATOM 977 CA ILE A 67 72.708 9.004 -3.539 1.00 1.00 C ATOM 978 C ILE A 67 72.483 7.572 -3.038 1.00 1.00 C ATOM 979 O ILE A 67 73.188 7.098 -2.169 1.00 1.00 O ATOM 980 CB ILE A 67 74.216 9.266 -3.639 1.00 1.00 C ATOM 981 CG1 ILE A 67 74.453 10.626 -4.299 1.00 1.00 C ATOM 982 CG2 ILE A 67 74.870 8.171 -4.483 1.00 1.00 C ATOM 983 CD1 ILE A 67 75.045 11.595 -3.274 1.00 1.00 C ATOM 0 H ILE A 67 72.206 9.785 -1.615 1.00 1.00 H new ATOM 0 HA ILE A 67 72.246 9.118 -4.519 1.00 1.00 H new ATOM 0 HB ILE A 67 74.652 9.264 -2.640 1.00 1.00 H new ATOM 0 HG12 ILE A 67 75.130 10.518 -5.146 1.00 1.00 H new ATOM 0 HG13 ILE A 67 73.515 11.021 -4.689 1.00 1.00 H new ATOM 0 HG21 ILE A 67 75.942 8.357 -4.554 1.00 1.00 H new ATOM 0 HG22 ILE A 67 74.701 7.201 -4.015 1.00 1.00 H new ATOM 0 HG23 ILE A 67 74.435 8.173 -5.482 1.00 1.00 H new ATOM 0 HD11 ILE A 67 75.214 12.564 -3.744 1.00 1.00 H new ATOM 0 HD12 ILE A 67 74.352 11.712 -2.441 1.00 1.00 H new ATOM 0 HD13 ILE A 67 75.992 11.201 -2.905 1.00 1.00 H new ATOM 995 N CYS A 68 71.535 6.869 -3.597 1.00 1.00 N ATOM 996 CA CYS A 68 71.299 5.456 -3.176 1.00 1.00 C ATOM 997 C CYS A 68 71.405 4.552 -4.409 1.00 1.00 C ATOM 998 O CYS A 68 71.186 4.987 -5.522 1.00 1.00 O ATOM 999 CB CYS A 68 69.907 5.331 -2.546 1.00 1.00 C ATOM 1000 SG CYS A 68 69.989 5.826 -0.807 1.00 1.00 S ATOM 0 H CYS A 68 70.912 7.212 -4.328 1.00 1.00 H new ATOM 0 HA CYS A 68 72.043 5.156 -2.438 1.00 1.00 H new ATOM 0 HB2 CYS A 68 69.195 5.959 -3.081 1.00 1.00 H new ATOM 0 HB3 CYS A 68 69.550 4.304 -2.627 1.00 1.00 H new ATOM 1005 N PRO A 69 71.767 3.308 -4.221 1.00 1.00 N ATOM 1006 CA PRO A 69 71.942 2.332 -5.327 1.00 1.00 C ATOM 1007 C PRO A 69 71.048 2.612 -6.539 1.00 1.00 C ATOM 1008 O PRO A 69 71.448 2.415 -7.668 1.00 1.00 O ATOM 1009 CB PRO A 69 71.570 1.011 -4.663 1.00 1.00 C ATOM 1010 CG PRO A 69 71.990 1.166 -3.234 1.00 1.00 C ATOM 1011 CD PRO A 69 72.041 2.670 -2.925 1.00 1.00 C ATOM 0 HA PRO A 69 72.950 2.360 -5.742 1.00 1.00 H new ATOM 0 HB2 PRO A 69 70.500 0.817 -4.741 1.00 1.00 H new ATOM 0 HB3 PRO A 69 72.082 0.173 -5.136 1.00 1.00 H new ATOM 0 HG2 PRO A 69 71.286 0.663 -2.571 1.00 1.00 H new ATOM 0 HG3 PRO A 69 72.965 0.708 -3.070 1.00 1.00 H new ATOM 0 HD2 PRO A 69 71.299 2.949 -2.177 1.00 1.00 H new ATOM 0 HD3 PRO A 69 73.015 2.964 -2.533 1.00 1.00 H new ATOM 1019 N TRP A 70 69.848 3.073 -6.330 1.00 1.00 N ATOM 1020 CA TRP A 70 68.969 3.356 -7.499 1.00 1.00 C ATOM 1021 C TRP A 70 69.355 4.713 -8.096 1.00 1.00 C ATOM 1022 O TRP A 70 68.533 5.422 -8.643 1.00 1.00 O ATOM 1023 CB TRP A 70 67.489 3.355 -7.075 1.00 1.00 C ATOM 1024 CG TRP A 70 67.388 3.598 -5.603 1.00 1.00 C ATOM 1025 CD1 TRP A 70 67.890 2.785 -4.646 1.00 1.00 C ATOM 1026 CD2 TRP A 70 66.756 4.711 -4.906 1.00 1.00 C ATOM 1027 NE1 TRP A 70 67.608 3.326 -3.405 1.00 1.00 N ATOM 1028 CE2 TRP A 70 66.910 4.513 -3.512 1.00 1.00 C ATOM 1029 CE3 TRP A 70 66.072 5.859 -5.340 1.00 1.00 C ATOM 1030 CZ2 TRP A 70 66.402 5.425 -2.583 1.00 1.00 C ATOM 1031 CZ3 TRP A 70 65.560 6.777 -4.411 1.00 1.00 C ATOM 1032 CH2 TRP A 70 65.724 6.562 -3.036 1.00 1.00 C ATOM 0 H TRP A 70 69.441 3.264 -5.415 1.00 1.00 H new ATOM 0 HA TRP A 70 69.103 2.577 -8.250 1.00 1.00 H new ATOM 0 HB2 TRP A 70 66.944 4.126 -7.619 1.00 1.00 H new ATOM 0 HB3 TRP A 70 67.028 2.400 -7.328 1.00 1.00 H new ATOM 0 HD1 TRP A 70 68.424 1.863 -4.822 1.00 1.00 H new ATOM 0 HE1 TRP A 70 67.882 2.901 -2.519 1.00 1.00 H new ATOM 0 HE3 TRP A 70 65.939 6.036 -6.397 1.00 1.00 H new ATOM 0 HZ2 TRP A 70 66.532 5.254 -1.525 1.00 1.00 H new ATOM 0 HZ3 TRP A 70 65.036 7.655 -4.758 1.00 1.00 H new ATOM 0 HH2 TRP A 70 65.327 7.273 -2.327 1.00 1.00 H new ATOM 1043 N GLU A 71 70.608 5.077 -7.997 1.00 1.00 N ATOM 1044 CA GLU A 71 71.058 6.383 -8.561 1.00 1.00 C ATOM 1045 C GLU A 71 72.464 6.230 -9.150 1.00 1.00 C ATOM 1046 O GLU A 71 72.646 6.208 -10.351 1.00 1.00 O ATOM 1047 CB GLU A 71 71.093 7.439 -7.451 1.00 1.00 C ATOM 1048 CG GLU A 71 69.664 7.815 -7.054 1.00 1.00 C ATOM 1049 CD GLU A 71 68.991 8.557 -8.211 1.00 1.00 C ATOM 1050 OE1 GLU A 71 69.176 9.759 -8.305 1.00 1.00 O ATOM 1051 OE2 GLU A 71 68.302 7.909 -8.983 1.00 1.00 O ATOM 0 H GLU A 71 71.339 4.525 -7.549 1.00 1.00 H new ATOM 0 HA GLU A 71 70.363 6.694 -9.341 1.00 1.00 H new ATOM 0 HB2 GLU A 71 71.632 7.054 -6.586 1.00 1.00 H new ATOM 0 HB3 GLU A 71 71.631 8.323 -7.793 1.00 1.00 H new ATOM 0 HG2 GLU A 71 69.097 6.918 -6.804 1.00 1.00 H new ATOM 0 HG3 GLU A 71 69.676 8.443 -6.163 1.00 1.00 H new ATOM 1058 N ALA A 72 73.460 6.136 -8.311 1.00 1.00 N ATOM 1059 CA ALA A 72 74.858 6.000 -8.815 1.00 1.00 C ATOM 1060 C ALA A 72 75.123 4.567 -9.286 1.00 1.00 C ATOM 1061 O ALA A 72 75.569 4.343 -10.394 1.00 1.00 O ATOM 1062 CB ALA A 72 75.836 6.348 -7.693 1.00 1.00 C ATOM 0 H ALA A 72 73.366 6.148 -7.295 1.00 1.00 H new ATOM 0 HA ALA A 72 74.994 6.679 -9.656 1.00 1.00 H new ATOM 0 HB1 ALA A 72 76.858 6.250 -8.058 1.00 1.00 H new ATOM 0 HB2 ALA A 72 75.665 7.374 -7.366 1.00 1.00 H new ATOM 0 HB3 ALA A 72 75.683 5.669 -6.854 1.00 1.00 H new ATOM 1068 N CYS A 73 74.873 3.595 -8.452 1.00 1.00 N ATOM 1069 CA CYS A 73 75.136 2.185 -8.856 1.00 1.00 C ATOM 1070 C CYS A 73 74.510 1.916 -10.226 1.00 1.00 C ATOM 1071 O CYS A 73 73.310 1.779 -10.357 1.00 1.00 O ATOM 1072 CB CYS A 73 74.530 1.232 -7.825 1.00 1.00 C ATOM 1073 SG CYS A 73 74.740 -0.476 -8.386 1.00 1.00 S ATOM 0 H CYS A 73 74.499 3.716 -7.511 1.00 1.00 H new ATOM 0 HA CYS A 73 76.213 2.024 -8.911 1.00 1.00 H new ATOM 0 HB2 CYS A 73 75.013 1.370 -6.858 1.00 1.00 H new ATOM 0 HB3 CYS A 73 73.472 1.453 -7.687 1.00 1.00 H new ATOM 1078 N ASN A 74 75.320 1.830 -11.245 1.00 1.00 N ATOM 1079 CA ASN A 74 74.785 1.559 -12.608 1.00 1.00 C ATOM 1080 C ASN A 74 74.760 0.047 -12.844 1.00 1.00 C ATOM 1081 O ASN A 74 73.822 -0.490 -13.397 1.00 1.00 O ATOM 1082 CB ASN A 74 75.689 2.224 -13.649 1.00 1.00 C ATOM 1083 CG ASN A 74 75.247 1.805 -15.052 1.00 1.00 C ATOM 1084 OD1 ASN A 74 74.280 2.321 -15.576 1.00 1.00 O ATOM 1085 ND2 ASN A 74 75.920 0.885 -15.688 1.00 1.00 N ATOM 0 H ASN A 74 76.333 1.936 -11.191 1.00 1.00 H new ATOM 0 HA ASN A 74 73.776 1.961 -12.696 1.00 1.00 H new ATOM 0 HB2 ASN A 74 75.639 3.308 -13.549 1.00 1.00 H new ATOM 0 HB3 ASN A 74 76.727 1.936 -13.482 1.00 1.00 H new ATOM 0 HD21 ASN A 74 75.634 0.600 -16.625 1.00 1.00 H new ATOM 0 HD22 ASN A 74 76.732 0.452 -15.248 1.00 1.00 H new ATOM 1092 N HIS A 75 75.788 -0.642 -12.426 1.00 1.00 N ATOM 1093 CA HIS A 75 75.832 -2.120 -12.620 1.00 1.00 C ATOM 1094 C HIS A 75 77.224 -2.635 -12.237 1.00 1.00 C ATOM 1095 O HIS A 75 78.205 -2.345 -12.893 1.00 1.00 O ATOM 1096 CB HIS A 75 75.541 -2.457 -14.094 1.00 1.00 C ATOM 1097 CG HIS A 75 74.199 -3.128 -14.200 1.00 1.00 C ATOM 1098 ND1 HIS A 75 73.138 -2.794 -13.372 1.00 1.00 N ATOM 1099 CD2 HIS A 75 73.731 -4.116 -15.033 1.00 1.00 C ATOM 1100 CE1 HIS A 75 72.093 -3.567 -13.719 1.00 1.00 C ATOM 1101 NE2 HIS A 75 72.401 -4.388 -14.724 1.00 1.00 N ATOM 0 H HIS A 75 76.601 -0.243 -11.957 1.00 1.00 H new ATOM 0 HA HIS A 75 75.080 -2.596 -11.990 1.00 1.00 H new ATOM 0 HB2 HIS A 75 75.553 -1.548 -14.695 1.00 1.00 H new ATOM 0 HB3 HIS A 75 76.319 -3.111 -14.489 1.00 1.00 H new ATOM 0 HD1 HIS A 75 73.148 -2.090 -12.634 1.00 1.00 H new ATOM 0 HD2 HIS A 75 74.305 -4.605 -15.806 1.00 1.00 H new ATOM 0 HE1 HIS A 75 71.125 -3.528 -13.243 1.00 1.00 H new ATOM 1110 N CYS A 76 77.318 -3.398 -11.181 1.00 1.00 N ATOM 1111 CA CYS A 76 78.647 -3.928 -10.763 1.00 1.00 C ATOM 1112 C CYS A 76 78.453 -5.121 -9.824 1.00 1.00 C ATOM 1113 O CYS A 76 79.061 -5.204 -8.776 1.00 1.00 O ATOM 1114 CB CYS A 76 79.432 -2.829 -10.041 1.00 1.00 C ATOM 1115 SG CYS A 76 78.740 -2.579 -8.387 1.00 1.00 S ATOM 0 H CYS A 76 76.534 -3.676 -10.591 1.00 1.00 H new ATOM 0 HA CYS A 76 79.201 -4.250 -11.645 1.00 1.00 H new ATOM 0 HB2 CYS A 76 80.484 -3.106 -9.969 1.00 1.00 H new ATOM 0 HB3 CYS A 76 79.386 -1.901 -10.610 1.00 1.00 H new ATOM 1120 N GLU A 77 77.614 -6.051 -10.192 1.00 1.00 N ATOM 1121 CA GLU A 77 77.390 -7.238 -9.318 1.00 1.00 C ATOM 1122 C GLU A 77 78.741 -7.865 -8.965 1.00 1.00 C ATOM 1123 O GLU A 77 79.244 -7.700 -7.871 1.00 1.00 O ATOM 1124 CB GLU A 77 76.528 -8.264 -10.058 1.00 1.00 C ATOM 1125 CG GLU A 77 75.062 -7.828 -10.012 1.00 1.00 C ATOM 1126 CD GLU A 77 74.214 -8.797 -10.838 1.00 1.00 C ATOM 1127 OE1 GLU A 77 74.329 -8.766 -12.052 1.00 1.00 O ATOM 1128 OE2 GLU A 77 73.465 -9.553 -10.242 1.00 1.00 O ATOM 0 H GLU A 77 77.075 -6.040 -11.058 1.00 1.00 H new ATOM 0 HA GLU A 77 76.879 -6.929 -8.406 1.00 1.00 H new ATOM 0 HB2 GLU A 77 76.859 -8.354 -11.093 1.00 1.00 H new ATOM 0 HB3 GLU A 77 76.641 -9.247 -9.600 1.00 1.00 H new ATOM 0 HG2 GLU A 77 74.710 -7.808 -8.981 1.00 1.00 H new ATOM 0 HG3 GLU A 77 74.960 -6.816 -10.403 1.00 1.00 H new ATOM 1135 N LEU A 78 79.331 -8.579 -9.885 1.00 1.00 N ATOM 1136 CA LEU A 78 80.652 -9.217 -9.612 1.00 1.00 C ATOM 1137 C LEU A 78 80.553 -10.109 -8.371 1.00 1.00 C ATOM 1138 O LEU A 78 79.669 -9.956 -7.551 1.00 1.00 O ATOM 1139 CB LEU A 78 81.708 -8.128 -9.381 1.00 1.00 C ATOM 1140 CG LEU A 78 83.074 -8.775 -9.146 1.00 1.00 C ATOM 1141 CD1 LEU A 78 84.149 -7.987 -9.897 1.00 1.00 C ATOM 1142 CD2 LEU A 78 83.390 -8.767 -7.649 1.00 1.00 C ATOM 0 H LEU A 78 78.954 -8.749 -10.817 1.00 1.00 H new ATOM 0 HA LEU A 78 80.940 -9.827 -10.468 1.00 1.00 H new ATOM 0 HB2 LEU A 78 81.753 -7.463 -10.244 1.00 1.00 H new ATOM 0 HB3 LEU A 78 81.432 -7.517 -8.522 1.00 1.00 H new ATOM 0 HG LEU A 78 83.056 -9.802 -9.510 1.00 1.00 H new ATOM 0 HD11 LEU A 78 85.122 -8.448 -9.729 1.00 1.00 H new ATOM 0 HD12 LEU A 78 83.925 -7.991 -10.964 1.00 1.00 H new ATOM 0 HD13 LEU A 78 84.167 -6.959 -9.534 1.00 1.00 H new ATOM 0 HD21 LEU A 78 84.363 -9.228 -7.480 1.00 1.00 H new ATOM 0 HD22 LEU A 78 83.407 -7.739 -7.286 1.00 1.00 H new ATOM 0 HD23 LEU A 78 82.625 -9.328 -7.113 1.00 1.00 H new ATOM 1154 N HIS A 79 81.457 -11.041 -8.230 1.00 1.00 N ATOM 1155 CA HIS A 79 81.424 -11.946 -7.046 1.00 1.00 C ATOM 1156 C HIS A 79 82.850 -12.405 -6.721 1.00 1.00 C ATOM 1157 O HIS A 79 83.236 -13.518 -7.017 1.00 1.00 O ATOM 1158 CB HIS A 79 80.548 -13.164 -7.361 1.00 1.00 C ATOM 1159 CG HIS A 79 80.734 -13.557 -8.801 1.00 1.00 C ATOM 1160 ND1 HIS A 79 81.860 -13.699 -9.576 1.00 1.00 N flip ATOM 1161 CD2 HIS A 79 79.663 -13.863 -9.628 1.00 1.00 C flip ATOM 1162 CE1 HIS A 79 81.491 -14.086 -10.860 1.00 1.00 C flip ATOM 1163 NE2 HIS A 79 80.159 -14.171 -10.839 1.00 1.00 N flip ATOM 0 H HIS A 79 82.219 -11.215 -8.886 1.00 1.00 H new ATOM 0 HA HIS A 79 81.009 -11.416 -6.189 1.00 1.00 H new ATOM 0 HB2 HIS A 79 80.815 -13.996 -6.709 1.00 1.00 H new ATOM 0 HB3 HIS A 79 79.501 -12.931 -7.169 1.00 1.00 H new ATOM 0 HD1 HIS A 79 82.817 -13.545 -9.259 1.00 1.00 H new ATOM 0 HD2 HIS A 79 78.620 -13.855 -9.349 1.00 1.00 H new ATOM 0 HE1 HIS A 79 82.145 -14.278 -11.698 1.00 1.00 H new ATOM 1172 N GLU A 80 83.638 -11.555 -6.115 1.00 1.00 N ATOM 1173 CA GLU A 80 85.038 -11.947 -5.777 1.00 1.00 C ATOM 1174 C GLU A 80 85.487 -11.174 -4.535 1.00 1.00 C ATOM 1175 O GLU A 80 86.212 -11.677 -3.700 1.00 1.00 O ATOM 1176 CB GLU A 80 85.959 -11.604 -6.959 1.00 1.00 C ATOM 1177 CG GLU A 80 87.093 -12.628 -7.041 1.00 1.00 C ATOM 1178 CD GLU A 80 86.603 -13.875 -7.780 1.00 1.00 C ATOM 1179 OE1 GLU A 80 85.747 -13.732 -8.638 1.00 1.00 O ATOM 1180 OE2 GLU A 80 87.092 -14.950 -7.476 1.00 1.00 O ATOM 0 H GLU A 80 83.373 -10.609 -5.840 1.00 1.00 H new ATOM 0 HA GLU A 80 85.087 -13.018 -5.578 1.00 1.00 H new ATOM 0 HB2 GLU A 80 85.389 -11.602 -7.888 1.00 1.00 H new ATOM 0 HB3 GLU A 80 86.369 -10.602 -6.835 1.00 1.00 H new ATOM 0 HG2 GLU A 80 87.949 -12.197 -7.561 1.00 1.00 H new ATOM 0 HG3 GLU A 80 87.429 -12.895 -6.039 1.00 1.00 H new ATOM 1187 N LEU A 81 85.055 -9.952 -4.416 1.00 1.00 N ATOM 1188 CA LEU A 81 85.438 -9.121 -3.242 1.00 1.00 C ATOM 1189 C LEU A 81 84.469 -9.418 -2.086 1.00 1.00 C ATOM 1190 O LEU A 81 84.362 -8.676 -1.132 1.00 1.00 O ATOM 1191 CB LEU A 81 85.365 -7.645 -3.665 1.00 1.00 C ATOM 1192 CG LEU A 81 85.368 -6.745 -2.428 1.00 1.00 C ATOM 1193 CD1 LEU A 81 86.088 -5.434 -2.752 1.00 1.00 C ATOM 1194 CD2 LEU A 81 83.926 -6.444 -2.014 1.00 1.00 C ATOM 0 H LEU A 81 84.446 -9.488 -5.090 1.00 1.00 H new ATOM 0 HA LEU A 81 86.450 -9.347 -2.905 1.00 1.00 H new ATOM 0 HB2 LEU A 81 86.212 -7.399 -4.305 1.00 1.00 H new ATOM 0 HB3 LEU A 81 84.462 -7.470 -4.250 1.00 1.00 H new ATOM 0 HG LEU A 81 85.884 -7.251 -1.612 1.00 1.00 H new ATOM 0 HD11 LEU A 81 86.090 -4.793 -1.871 1.00 1.00 H new ATOM 0 HD12 LEU A 81 87.115 -5.647 -3.049 1.00 1.00 H new ATOM 0 HD13 LEU A 81 85.572 -4.928 -3.568 1.00 1.00 H new ATOM 0 HD21 LEU A 81 83.927 -5.803 -1.133 1.00 1.00 H new ATOM 0 HD22 LEU A 81 83.411 -5.938 -2.831 1.00 1.00 H new ATOM 0 HD23 LEU A 81 83.411 -7.377 -1.784 1.00 1.00 H new ATOM 1206 N ALA A 82 83.765 -10.516 -2.163 1.00 1.00 N ATOM 1207 CA ALA A 82 82.804 -10.866 -1.077 1.00 1.00 C ATOM 1208 C ALA A 82 83.468 -10.675 0.289 1.00 1.00 C ATOM 1209 O ALA A 82 83.165 -9.741 1.003 1.00 1.00 O ATOM 1210 CB ALA A 82 82.371 -12.326 -1.232 1.00 1.00 C ATOM 0 H ALA A 82 83.814 -11.185 -2.931 1.00 1.00 H new ATOM 0 HA ALA A 82 81.933 -10.215 -1.146 1.00 1.00 H new ATOM 0 HB1 ALA A 82 81.669 -12.583 -0.439 1.00 1.00 H new ATOM 0 HB2 ALA A 82 81.890 -12.462 -2.201 1.00 1.00 H new ATOM 0 HB3 ALA A 82 83.245 -12.974 -1.167 1.00 1.00 H new ATOM 1216 N GLN A 83 84.361 -11.552 0.665 1.00 1.00 N ATOM 1217 CA GLN A 83 85.023 -11.409 1.993 1.00 1.00 C ATOM 1218 C GLN A 83 83.948 -11.439 3.078 1.00 1.00 C ATOM 1219 O GLN A 83 82.852 -10.954 2.885 1.00 1.00 O ATOM 1220 CB GLN A 83 85.775 -10.077 2.060 1.00 1.00 C ATOM 1221 CG GLN A 83 86.747 -10.099 3.241 1.00 1.00 C ATOM 1222 CD GLN A 83 87.883 -11.081 2.950 1.00 1.00 C ATOM 1223 OE1 GLN A 83 88.083 -12.032 3.680 1.00 1.00 O ATOM 1224 NE2 GLN A 83 88.643 -10.890 1.906 1.00 1.00 N ATOM 0 H GLN A 83 84.659 -12.356 0.113 1.00 1.00 H new ATOM 0 HA GLN A 83 85.732 -12.224 2.141 1.00 1.00 H new ATOM 0 HB2 GLN A 83 86.319 -9.907 1.131 1.00 1.00 H new ATOM 0 HB3 GLN A 83 85.069 -9.254 2.171 1.00 1.00 H new ATOM 0 HG2 GLN A 83 87.150 -9.101 3.412 1.00 1.00 H new ATOM 0 HG3 GLN A 83 86.223 -10.392 4.151 1.00 1.00 H new ATOM 0 HE21 GLN A 83 88.476 -10.092 1.293 1.00 1.00 H new ATOM 0 HE22 GLN A 83 89.404 -11.539 1.704 1.00 1.00 H new ATOM 1233 N TYR A 84 84.244 -12.009 4.211 1.00 1.00 N ATOM 1234 CA TYR A 84 83.224 -12.073 5.294 1.00 1.00 C ATOM 1235 C TYR A 84 82.007 -12.845 4.780 1.00 1.00 C ATOM 1236 O TYR A 84 81.775 -13.978 5.152 1.00 1.00 O ATOM 1237 CB TYR A 84 82.805 -10.654 5.692 1.00 1.00 C ATOM 1238 CG TYR A 84 84.022 -9.760 5.728 1.00 1.00 C ATOM 1239 CD1 TYR A 84 84.975 -9.916 6.742 1.00 1.00 C ATOM 1240 CD2 TYR A 84 84.196 -8.776 4.749 1.00 1.00 C ATOM 1241 CE1 TYR A 84 86.103 -9.088 6.776 1.00 1.00 C ATOM 1242 CE2 TYR A 84 85.324 -7.947 4.782 1.00 1.00 C ATOM 1243 CZ TYR A 84 86.277 -8.103 5.796 1.00 1.00 C ATOM 1244 OH TYR A 84 87.389 -7.286 5.829 1.00 1.00 O ATOM 0 H TYR A 84 85.145 -12.432 4.434 1.00 1.00 H new ATOM 0 HA TYR A 84 83.641 -12.577 6.166 1.00 1.00 H new ATOM 0 HB2 TYR A 84 82.076 -10.266 4.980 1.00 1.00 H new ATOM 0 HB3 TYR A 84 82.321 -10.667 6.669 1.00 1.00 H new ATOM 0 HD1 TYR A 84 84.840 -10.675 7.498 1.00 1.00 H new ATOM 0 HD2 TYR A 84 83.460 -8.656 3.968 1.00 1.00 H new ATOM 0 HE1 TYR A 84 86.839 -9.209 7.557 1.00 1.00 H new ATOM 0 HE2 TYR A 84 85.459 -7.188 4.026 1.00 1.00 H new ATOM 0 HH TYR A 84 87.356 -6.658 5.077 1.00 1.00 H new ATOM 1254 N GLY A 85 81.234 -12.240 3.918 1.00 1.00 N ATOM 1255 CA GLY A 85 80.037 -12.934 3.367 1.00 1.00 C ATOM 1256 C GLY A 85 79.018 -11.896 2.886 1.00 1.00 C ATOM 1257 O GLY A 85 78.256 -12.140 1.974 1.00 1.00 O ATOM 0 H GLY A 85 81.382 -11.292 3.572 1.00 1.00 H new ATOM 0 HA2 GLY A 85 80.328 -13.583 2.541 1.00 1.00 H new ATOM 0 HA3 GLY A 85 79.590 -13.571 4.130 1.00 1.00 H new ATOM 1261 N ILE A 86 79.001 -10.742 3.499 1.00 1.00 N ATOM 1262 CA ILE A 86 78.029 -9.685 3.091 1.00 1.00 C ATOM 1263 C ILE A 86 78.443 -8.350 3.716 1.00 1.00 C ATOM 1264 O ILE A 86 77.715 -7.772 4.499 1.00 1.00 O ATOM 1265 CB ILE A 86 76.627 -10.058 3.595 1.00 1.00 C ATOM 1266 CG1 ILE A 86 76.737 -10.684 4.987 1.00 1.00 C ATOM 1267 CG2 ILE A 86 75.989 -11.063 2.635 1.00 1.00 C ATOM 1268 CD1 ILE A 86 75.336 -10.978 5.527 1.00 1.00 C ATOM 0 H ILE A 86 79.621 -10.485 4.267 1.00 1.00 H new ATOM 0 HA ILE A 86 78.020 -9.600 2.004 1.00 1.00 H new ATOM 0 HB ILE A 86 76.009 -9.162 3.645 1.00 1.00 H new ATOM 0 HG12 ILE A 86 77.320 -11.604 4.939 1.00 1.00 H new ATOM 0 HG13 ILE A 86 77.263 -10.008 5.661 1.00 1.00 H new ATOM 0 HG21 ILE A 86 74.994 -11.327 2.993 1.00 1.00 H new ATOM 0 HG22 ILE A 86 75.911 -10.619 1.642 1.00 1.00 H new ATOM 0 HG23 ILE A 86 76.606 -11.960 2.584 1.00 1.00 H new ATOM 0 HD11 ILE A 86 75.414 -11.424 6.519 1.00 1.00 H new ATOM 0 HD12 ILE A 86 74.768 -10.050 5.590 1.00 1.00 H new ATOM 0 HD13 ILE A 86 74.826 -11.670 4.857 1.00 1.00 H new ATOM 1280 N CYS A 87 79.602 -7.855 3.386 1.00 1.00 N ATOM 1281 CA CYS A 87 80.045 -6.559 3.974 1.00 1.00 C ATOM 1282 C CYS A 87 79.058 -5.458 3.580 1.00 1.00 C ATOM 1283 CB CYS A 87 81.443 -6.210 3.453 1.00 1.00 C ATOM 1284 SG CYS A 87 81.602 -6.760 1.736 1.00 1.00 S ATOM 0 H CYS A 87 80.260 -8.288 2.738 1.00 1.00 H new ATOM 0 HA CYS A 87 80.078 -6.644 5.060 1.00 1.00 H new ATOM 0 HB2 CYS A 87 81.609 -5.135 3.518 1.00 1.00 H new ATOM 0 HB3 CYS A 87 82.203 -6.688 4.071 1.00 1.00 H new TER 1289 CYS A 87 HETATM 1290 C1C RCY A 110 60.198 -2.146 8.976 1.00 1.00 C HETATM 1291 O1G RCY A 110 59.132 -1.689 5.573 1.00 1.00 O HETATM 1292 O1H RCY A 110 55.309 -3.193 7.903 1.00 1.00 O HETATM 1293 O1J RCY A 110 59.759 -0.722 11.593 1.00 1.00 O HETATM 1294 C1L RCY A 110 57.297 -3.198 4.985 1.00 1.00 C HETATM 1295 C1M RCY A 110 56.725 -0.900 9.254 1.00 1.00 C HETATM 1296 C1P RCY A 110 58.101 -2.272 5.907 1.00 1.00 C HETATM 1297 C1Q RCY A 110 56.309 -3.153 7.188 1.00 1.00 C HETATM 1298 N1R RCY A 110 57.462 -2.163 7.290 1.00 1.00 N HETATM 1299 C1S RCY A 110 56.621 -4.088 6.033 1.00 1.00 C HETATM 1300 C1U RCY A 110 57.867 -1.289 8.479 1.00 1.00 C HETATM 1301 C1V RCY A 110 58.174 -3.385 9.868 1.00 1.00 C HETATM 1302 N1V RCY A 110 58.690 -1.066 10.659 1.00 1.00 N HETATM 1303 C1W RCY A 110 57.256 -0.541 10.648 1.00 1.00 C HETATM 1304 C1X RCY A 110 58.758 -2.025 9.479 1.00 1.00 C HETATM 1305 C1Y RCY A 110 56.425 -1.231 11.734 1.00 1.00 C HETATM 1306 C1Z RCY A 110 57.274 0.972 10.863 1.00 1.00 C HETATM 0 H1ZB RCY A 110 57.917 1.438 10.117 1.00 1.00 H new HETATM 0 H1YB RCY A 110 55.387 -0.908 11.658 1.00 1.00 H new HETATM 0 H1YA RCY A 110 56.480 -2.312 11.603 1.00 1.00 H new HETATM 0 H1VB RCY A 110 58.178 -4.044 9.000 1.00 1.00 H new HETATM 0 H1VA RCY A 110 58.777 -3.826 10.662 1.00 1.00 H new HETATM 0 H1MA RCY A 110 56.218 -0.049 8.800 1.00 1.00 H new HETATM 0 H1LA RCY A 110 56.578 -2.655 4.372 1.00 1.00 H new HETATM 0 H1CB RCY A 110 60.210 -2.698 8.036 1.00 1.00 H new HETATM 0 H1CA RCY A 110 60.613 -1.151 8.817 1.00 1.00 H new HETATM 0 H1Y RCY A 110 56.816 -0.965 12.716 1.00 1.00 H new HETATM 0 H1V RCY A 110 57.151 -3.254 10.220 1.00 1.00 H new HETATM 0 H1U RCY A 110 58.385 -0.443 8.027 1.00 1.00 H new HETATM 0 H1S RCY A 110 57.278 -4.900 6.347 1.00 1.00 H new HETATM 0 H1M RCY A 110 55.999 -1.711 9.311 1.00 1.00 H new HETATM 0 H1L RCY A 110 57.933 -3.764 4.304 1.00 1.00 H new HETATM 0 H1C RCY A 110 60.799 -2.675 9.716 1.00 1.00 H new HETATM 1309 C1C RCY A 121 66.549 -4.277 -6.262 1.00 1.00 C HETATM 1310 O1G RCY A 121 66.470 -3.102 -8.908 1.00 1.00 O HETATM 1311 O1H RCY A 121 64.837 -7.469 -9.661 1.00 1.00 O HETATM 1312 O1J RCY A 121 65.498 -1.599 -7.150 1.00 1.00 O HETATM 1313 C1L RCY A 121 66.900 -4.775 -10.641 1.00 1.00 C HETATM 1314 C1M RCY A 121 63.192 -4.596 -7.787 1.00 1.00 C HETATM 1315 C1P RCY A 121 66.271 -4.232 -9.351 1.00 1.00 C HETATM 1316 C1Q RCY A 121 65.577 -6.490 -9.573 1.00 1.00 C HETATM 1317 N1R RCY A 121 65.368 -5.270 -8.685 1.00 1.00 N HETATM 1318 C1S RCY A 121 66.873 -6.277 -10.333 1.00 1.00 C HETATM 1319 C1U RCY A 121 64.480 -5.130 -7.447 1.00 1.00 C HETATM 1320 C1V RCY A 121 64.302 -4.226 -5.089 1.00 1.00 C HETATM 1321 N1V RCY A 121 64.702 -2.822 -7.124 1.00 1.00 N HETATM 1322 C1W RCY A 121 63.349 -3.071 -7.789 1.00 1.00 C HETATM 1323 C1X RCY A 121 65.035 -4.135 -6.429 1.00 1.00 C HETATM 1324 C1Y RCY A 121 62.227 -2.412 -6.982 1.00 1.00 C HETATM 1325 C1Z RCY A 121 63.383 -2.518 -9.215 1.00 1.00 C HETATM 0 H1ZB RCY A 121 64.224 -2.954 -9.754 1.00 1.00 H new HETATM 0 H1ZA RCY A 121 62.454 -2.771 -9.726 1.00 1.00 H new HETATM 0 H1YB RCY A 121 61.263 -2.668 -7.423 1.00 1.00 H new HETATM 0 H1YA RCY A 121 62.261 -2.769 -5.953 1.00 1.00 H new HETATM 0 H1VB RCY A 121 64.505 -5.193 -4.628 1.00 1.00 H new HETATM 0 H1VA RCY A 121 64.648 -3.430 -4.430 1.00 1.00 H new HETATM 0 H1MA RCY A 121 62.867 -4.955 -8.763 1.00 1.00 H new HETATM 0 H1LA RCY A 121 66.320 -4.520 -11.528 1.00 1.00 H new HETATM 0 H1CB RCY A 121 66.784 -5.284 -5.918 1.00 1.00 H new HETATM 0 H1CA RCY A 121 67.039 -4.096 -7.219 1.00 1.00 H new HETATM 0 H1Z RCY A 121 63.495 -1.434 -9.182 1.00 1.00 H new HETATM 0 H1Y RCY A 121 62.356 -1.330 -6.996 1.00 1.00 H new HETATM 0 H1V RCY A 121 63.230 -4.120 -5.253 1.00 1.00 H new HETATM 0 H1U RCY A 121 64.430 -6.138 -7.036 1.00 1.00 H new HETATM 0 H1S RCY A 121 67.735 -6.575 -9.737 1.00 1.00 H new HETATM 0 H1M RCY A 121 62.438 -4.909 -7.065 1.00 1.00 H new HETATM 0 H1L RCY A 121 67.911 -4.400 -10.803 1.00 1.00 H new HETATM 0 H1C RCY A 121 66.904 -3.552 -5.530 1.00 1.00 H new HETATM 1328 C1C RCY A 130 82.268 12.060 -11.063 1.00 1.00 C HETATM 1329 O1G RCY A 130 86.207 8.285 -10.795 1.00 1.00 O HETATM 1330 O1H RCY A 130 82.758 10.713 -8.672 1.00 1.00 O HETATM 1331 O1J RCY A 130 82.658 12.832 -13.948 1.00 1.00 O HETATM 1332 C1L RCY A 130 85.023 8.003 -8.673 1.00 1.00 C HETATM 1333 C1M RCY A 130 85.237 10.387 -12.506 1.00 1.00 C HETATM 1334 C1P RCY A 130 85.371 8.700 -9.994 1.00 1.00 C HETATM 1335 C1Q RCY A 130 83.784 10.065 -8.879 1.00 1.00 C HETATM 1336 N1R RCY A 130 84.551 9.974 -10.192 1.00 1.00 N HETATM 1337 C1S RCY A 130 84.519 9.206 -7.867 1.00 1.00 C HETATM 1338 C1U RCY A 130 84.505 10.920 -11.393 1.00 1.00 C HETATM 1339 C1V RCY A 130 82.380 9.779 -12.164 1.00 1.00 C HETATM 1340 N1V RCY A 130 83.407 11.775 -13.275 1.00 1.00 N HETATM 1341 C1W RCY A 130 84.683 11.084 -13.755 1.00 1.00 C HETATM 1342 C1X RCY A 130 83.092 11.115 -11.940 1.00 1.00 C HETATM 1343 C1Y RCY A 130 84.359 10.059 -14.845 1.00 1.00 C HETATM 1344 C1Z RCY A 130 85.656 12.140 -14.280 1.00 1.00 C HETATM 0 H1ZB RCY A 130 85.826 12.893 -13.510 1.00 1.00 H new HETATM 0 H1ZA RCY A 130 86.603 11.666 -14.539 1.00 1.00 H new HETATM 0 H1YB RCY A 130 85.265 9.517 -15.116 1.00 1.00 H new HETATM 0 H1YA RCY A 130 83.613 9.356 -14.473 1.00 1.00 H new HETATM 0 H1VB RCY A 130 82.210 9.292 -11.204 1.00 1.00 H new HETATM 0 H1VA RCY A 130 81.424 9.955 -12.656 1.00 1.00 H new HETATM 0 H1MA RCY A 130 86.305 10.576 -12.396 1.00 1.00 H new HETATM 0 H1LA RCY A 130 84.261 7.233 -8.795 1.00 1.00 H new HETATM 0 H1CB RCY A 130 82.191 11.648 -10.057 1.00 1.00 H new HETATM 0 H1CA RCY A 130 82.755 13.034 -11.020 1.00 1.00 H new HETATM 0 H1Z RCY A 130 85.234 12.615 -15.165 1.00 1.00 H new HETATM 0 H1Y RCY A 130 83.967 10.573 -15.723 1.00 1.00 H new HETATM 0 H1V RCY A 130 82.999 9.138 -12.792 1.00 1.00 H new HETATM 0 H1U RCY A 130 84.922 11.854 -11.016 1.00 1.00 H new HETATM 0 H1S RCY A 130 85.345 9.751 -7.410 1.00 1.00 H new HETATM 0 H1M RCY A 130 85.110 9.307 -12.574 1.00 1.00 H new HETATM 0 H1L RCY A 130 85.888 7.525 -8.213 1.00 1.00 H new HETATM 0 H1C RCY A 130 81.270 12.172 -11.487 1.00 1.00 H new HETATM 1347 C1C RCY A 138 85.132 0.946 -1.607 1.00 1.00 C HETATM 1348 O1G RCY A 138 84.134 5.539 1.297 1.00 1.00 O HETATM 1349 O1H RCY A 138 87.088 2.130 -0.100 1.00 1.00 O HETATM 1350 O1J RCY A 138 82.912 1.161 -3.630 1.00 1.00 O HETATM 1351 C1L RCY A 138 86.458 5.007 1.849 1.00 1.00 C HETATM 1352 C1M RCY A 138 83.170 4.045 -1.116 1.00 1.00 C HETATM 1353 C1P RCY A 138 85.101 4.791 1.165 1.00 1.00 C HETATM 1354 C1Q RCY A 138 86.478 2.947 0.589 1.00 1.00 C HETATM 1355 N1R RCY A 138 85.101 3.532 0.300 1.00 1.00 N HETATM 1356 C1S RCY A 138 86.963 3.560 1.889 1.00 1.00 C HETATM 1357 C1U RCY A 138 84.008 2.989 -0.622 1.00 1.00 C HETATM 1358 C1V RCY A 138 85.588 3.241 -2.585 1.00 1.00 C HETATM 1359 N1V RCY A 138 83.298 2.237 -2.721 1.00 1.00 N HETATM 1360 C1W RCY A 138 82.517 3.509 -2.396 1.00 1.00 C HETATM 1361 C1X RCY A 138 84.567 2.340 -1.887 1.00 1.00 C HETATM 1362 C1Y RCY A 138 82.650 4.524 -3.534 1.00 1.00 C HETATM 1363 C1Z RCY A 138 81.050 3.150 -2.162 1.00 1.00 C HETATM 0 H1ZB RCY A 138 80.982 2.383 -1.391 1.00 1.00 H new HETATM 0 H1ZA RCY A 138 80.505 4.038 -1.840 1.00 1.00 H new HETATM 0 H1YB RCY A 138 82.159 5.455 -3.250 1.00 1.00 H new HETATM 0 H1YA RCY A 138 83.705 4.715 -3.730 1.00 1.00 H new HETATM 0 H1VB RCY A 138 86.469 3.351 -1.952 1.00 1.00 H new HETATM 0 H1VA RCY A 138 85.878 2.794 -3.536 1.00 1.00 H new HETATM 0 H1MA RCY A 138 82.415 4.320 -0.379 1.00 1.00 H new HETATM 0 H1LA RCY A 138 87.114 5.663 1.277 1.00 1.00 H new HETATM 0 H1CB RCY A 138 85.937 1.020 -0.876 1.00 1.00 H new HETATM 0 H1CA RCY A 138 84.342 0.306 -1.214 1.00 1.00 H new HETATM 0 H1Z RCY A 138 80.615 2.773 -3.088 1.00 1.00 H new HETATM 0 H1Y RCY A 138 82.181 4.126 -4.434 1.00 1.00 H new HETATM 0 H1V RCY A 138 85.146 4.221 -2.765 1.00 1.00 H new HETATM 0 H1U RCY A 138 83.470 2.268 -0.006 1.00 1.00 H new HETATM 0 H1S RCY A 138 86.565 3.025 2.752 1.00 1.00 H new HETATM 0 H1M RCY A 138 83.755 4.941 -1.323 1.00 1.00 H new HETATM 0 H1L RCY A 138 86.360 5.443 2.843 1.00 1.00 H new HETATM 0 H1C RCY A 138 85.520 0.518 -2.531 1.00 1.00 H new HETATM 1366 C1C RCY A 150 84.081 3.159 5.972 1.00 1.00 C HETATM 1367 O1G RCY A 150 80.713 0.856 7.190 1.00 1.00 O HETATM 1368 O1H RCY A 150 81.466 5.492 7.682 1.00 1.00 O HETATM 1369 O1J RCY A 150 83.659 0.205 5.569 1.00 1.00 O HETATM 1370 C1L RCY A 150 80.583 2.381 9.099 1.00 1.00 C HETATM 1371 C1M RCY A 150 80.731 2.467 4.560 1.00 1.00 C HETATM 1372 C1P RCY A 150 80.859 1.991 7.642 1.00 1.00 C HETATM 1373 C1Q RCY A 150 81.444 4.278 7.879 1.00 1.00 C HETATM 1374 N1R RCY A 150 81.338 3.187 6.821 1.00 1.00 N HETATM 1375 C1S RCY A 150 81.517 3.588 9.229 1.00 1.00 C HETATM 1376 C1U RCY A 150 81.637 3.278 5.323 1.00 1.00 C HETATM 1377 C1V RCY A 150 83.412 3.094 3.527 1.00 1.00 C HETATM 1378 N1V RCY A 150 82.753 1.236 5.072 1.00 1.00 N HETATM 1379 C1W RCY A 150 81.330 1.055 4.547 1.00 1.00 C HETATM 1380 C1X RCY A 150 83.016 2.731 4.960 1.00 1.00 C HETATM 1381 C1Y RCY A 150 81.351 0.492 3.124 1.00 1.00 C HETATM 1382 C1Z RCY A 150 80.566 0.119 5.485 1.00 1.00 C HETATM 0 H1ZB RCY A 150 80.613 0.506 6.503 1.00 1.00 H new HETATM 0 H1ZA RCY A 150 79.525 0.057 5.168 1.00 1.00 H new HETATM 0 H1YB RCY A 150 80.334 0.447 2.735 1.00 1.00 H new HETATM 0 H1YA RCY A 150 81.955 1.137 2.486 1.00 1.00 H new HETATM 0 H1VB RCY A 150 83.543 4.173 3.448 1.00 1.00 H new HETATM 0 H1VA RCY A 150 84.346 2.595 3.270 1.00 1.00 H new HETATM 0 H1MA RCY A 150 79.738 2.465 5.009 1.00 1.00 H new HETATM 0 H1LA RCY A 150 79.539 2.641 9.271 1.00 1.00 H new HETATM 0 H1CB RCY A 150 84.141 4.247 5.999 1.00 1.00 H new HETATM 0 H1CA RCY A 150 83.814 2.786 6.961 1.00 1.00 H new HETATM 0 H1Z RCY A 150 81.015 -0.874 5.453 1.00 1.00 H new HETATM 0 H1Y RCY A 150 81.779 -0.510 3.136 1.00 1.00 H new HETATM 0 H1V RCY A 150 82.629 2.773 2.841 1.00 1.00 H new HETATM 0 H1U RCY A 150 81.554 4.341 5.096 1.00 1.00 H new HETATM 0 H1S RCY A 150 82.536 3.277 9.461 1.00 1.00 H new HETATM 0 H1M RCY A 150 80.622 2.853 3.547 1.00 1.00 H new HETATM 0 H1L RCY A 150 80.832 1.583 9.799 1.00 1.00 H new HETATM 0 H1C RCY A 150 85.048 2.750 5.678 1.00 1.00 H new HETATM 1385 C1C RCY A 160 77.234 6.653 5.478 1.00 1.00 C HETATM 1386 O1G RCY A 160 72.819 6.196 5.505 1.00 1.00 O HETATM 1387 O1H RCY A 160 75.979 3.044 7.047 1.00 1.00 O HETATM 1388 O1J RCY A 160 77.778 7.276 2.582 1.00 1.00 O HETATM 1389 C1L RCY A 160 72.917 4.749 7.476 1.00 1.00 C HETATM 1390 C1M RCY A 160 74.866 4.875 3.259 1.00 1.00 C HETATM 1391 C1P RCY A 160 73.406 5.322 6.139 1.00 1.00 C HETATM 1392 C1Q RCY A 160 74.922 3.607 6.766 1.00 1.00 C HETATM 1393 N1R RCY A 160 74.715 4.670 5.695 1.00 1.00 N HETATM 1394 C1S RCY A 160 73.577 3.367 7.427 1.00 1.00 C HETATM 1395 C1U RCY A 160 75.597 4.994 4.487 1.00 1.00 C HETATM 1396 C1V RCY A 160 74.947 7.431 4.711 1.00 1.00 C HETATM 1397 N1V RCY A 160 76.605 6.547 3.056 1.00 1.00 N HETATM 1398 C1W RCY A 160 75.620 5.723 2.228 1.00 1.00 C HETATM 1399 C1X RCY A 160 76.090 6.440 4.484 1.00 1.00 C HETATM 1400 C1Y RCY A 160 74.654 6.642 1.475 1.00 1.00 C HETATM 1401 C1Z RCY A 160 76.401 4.845 1.250 1.00 1.00 C HETATM 0 H1ZB RCY A 160 77.125 4.243 1.800 1.00 1.00 H new HETATM 0 H1ZA RCY A 160 75.711 4.188 0.720 1.00 1.00 H new HETATM 0 H1YB RCY A 160 73.907 6.040 0.958 1.00 1.00 H new HETATM 0 H1YA RCY A 160 74.158 7.306 2.183 1.00 1.00 H new HETATM 0 H1VB RCY A 160 74.551 7.306 5.719 1.00 1.00 H new HETATM 0 H1VA RCY A 160 75.319 8.449 4.591 1.00 1.00 H new HETATM 0 H1MA RCY A 160 74.808 3.834 2.940 1.00 1.00 H new HETATM 0 H1CB RCY A 160 76.892 6.411 6.484 1.00 1.00 H new HETATM 0 H1CA RCY A 160 78.071 6.006 5.214 1.00 1.00 H new HETATM 0 H1Z RCY A 160 76.924 5.477 0.532 1.00 1.00 H new HETATM 0 H1Y RCY A 160 75.208 7.235 0.748 1.00 1.00 H new HETATM 0 H1V RCY A 160 74.155 7.246 3.985 1.00 1.00 H new HETATM 0 H1U RCY A 160 76.424 4.288 4.562 1.00 1.00 H new HETATM 0 H1S RCY A 160 72.975 2.660 6.855 1.00 1.00 H new HETATM 0 H1M RCY A 160 73.842 5.229 3.380 1.00 1.00 H new HETATM 0 H1C RCY A 160 77.556 7.694 5.445 1.00 1.00 H new HETATM 1404 C1C RCY A 168 74.162 1.251 1.907 1.00 1.00 C HETATM 1405 O1G RCY A 168 74.234 4.881 1.930 1.00 1.00 O HETATM 1406 O1H RCY A 168 71.479 3.338 -1.582 1.00 1.00 O HETATM 1407 O1J RCY A 168 76.741 0.035 0.939 1.00 1.00 O HETATM 1408 C1L RCY A 168 72.095 5.645 1.020 1.00 1.00 C HETATM 1409 C1M RCY A 168 75.390 2.963 -1.136 1.00 1.00 C HETATM 1410 C1P RCY A 168 73.343 4.756 1.091 1.00 1.00 C HETATM 1411 C1Q RCY A 168 72.098 4.066 -0.807 1.00 1.00 C HETATM 1412 N1R RCY A 168 73.343 3.697 -0.010 1.00 1.00 N HETATM 1413 C1S RCY A 168 71.759 5.506 -0.469 1.00 1.00 C HETATM 1414 C1U RCY A 168 74.331 2.555 -0.257 1.00 1.00 C HETATM 1415 C1V RCY A 168 75.646 3.303 1.774 1.00 1.00 C HETATM 1416 N1V RCY A 168 76.170 1.269 0.409 1.00 1.00 N HETATM 1417 C1W RCY A 168 76.556 2.001 -0.874 1.00 1.00 C HETATM 1418 C1X RCY A 168 75.056 2.113 1.013 1.00 1.00 C HETATM 1419 C1Y RCY A 168 77.860 2.779 -0.676 1.00 1.00 C HETATM 1420 C1Z RCY A 168 76.702 0.984 -2.006 1.00 1.00 C HETATM 0 H1ZB RCY A 168 75.785 0.401 -2.092 1.00 1.00 H new HETATM 0 H1ZA RCY A 168 76.889 1.508 -2.944 1.00 1.00 H new HETATM 0 H1YB RCY A 168 78.076 3.361 -1.572 1.00 1.00 H new HETATM 0 H1YA RCY A 168 77.757 3.450 0.177 1.00 1.00 H new HETATM 0 H1VB RCY A 168 74.838 3.929 2.154 1.00 1.00 H new HETATM 0 H1VA RCY A 168 76.246 2.940 2.608 1.00 1.00 H new HETATM 0 H1MA RCY A 168 75.072 2.915 -2.177 1.00 1.00 H new HETATM 0 H1LA RCY A 168 71.291 5.289 1.664 1.00 1.00 H new HETATM 0 H1CB RCY A 168 73.280 1.822 2.198 1.00 1.00 H new HETATM 0 H1CA RCY A 168 73.854 0.359 1.361 1.00 1.00 H new HETATM 0 H1Z RCY A 168 77.537 0.317 -1.790 1.00 1.00 H new HETATM 0 H1Y RCY A 168 78.676 2.080 -0.491 1.00 1.00 H new HETATM 0 H1V RCY A 168 76.274 3.889 1.103 1.00 1.00 H new HETATM 0 H1U RCY A 168 73.718 1.753 -0.669 1.00 1.00 H new HETATM 0 H1S RCY A 168 72.341 6.202 -1.073 1.00 1.00 H new HETATM 0 H1M RCY A 168 75.684 3.994 -0.939 1.00 1.00 H new HETATM 0 H1L RCY A 168 72.300 6.676 1.307 1.00 1.00 H new HETATM 0 H1C RCY A 168 74.715 0.957 2.799 1.00 1.00 H new HETATM 1423 C1C RCY A 173 77.160 -0.645 -3.949 1.00 1.00 C HETATM 1424 O1G RCY A 173 73.784 -4.456 -5.281 1.00 1.00 O HETATM 1425 O1H RCY A 173 76.563 -0.709 -6.013 1.00 1.00 O HETATM 1426 O1J RCY A 173 74.781 0.212 -2.313 1.00 1.00 O HETATM 1427 C1L RCY A 173 73.955 -2.828 -7.099 1.00 1.00 C HETATM 1428 C1M RCY A 173 75.226 -3.570 -2.764 1.00 1.00 C HETATM 1429 C1P RCY A 173 74.309 -3.442 -5.738 1.00 1.00 C HETATM 1430 C1Q RCY A 173 75.588 -1.457 -5.965 1.00 1.00 C HETATM 1431 N1R RCY A 173 75.393 -2.639 -5.023 1.00 1.00 N HETATM 1432 C1S RCY A 173 74.349 -1.370 -6.838 1.00 1.00 C HETATM 1433 C1U RCY A 173 76.107 -2.935 -3.702 1.00 1.00 C HETATM 1434 C1V RCY A 173 77.521 -1.987 -1.828 1.00 1.00 C HETATM 1435 N1V RCY A 173 75.233 -1.170 -2.437 1.00 1.00 N HETATM 1436 C1W RCY A 173 74.474 -2.439 -2.052 1.00 1.00 C HETATM 1437 C1X RCY A 173 76.565 -1.669 -2.980 1.00 1.00 C HETATM 1438 C1Y RCY A 173 74.508 -2.643 -0.534 1.00 1.00 C HETATM 1439 C1Z RCY A 173 73.033 -2.330 -2.549 1.00 1.00 C HETATM 0 H1YB RCY A 173 74.036 -3.593 -0.284 1.00 1.00 H new HETATM 0 H1YA RCY A 173 75.543 -2.650 -0.191 1.00 1.00 H new HETATM 0 H1VB RCY A 173 78.449 -2.395 -2.228 1.00 1.00 H new HETATM 0 H1VA RCY A 173 77.736 -1.075 -1.271 1.00 1.00 H new HETATM 0 H1MA RCY A 173 74.532 -4.239 -3.273 1.00 1.00 H new HETATM 0 H1LA RCY A 173 74.520 -3.273 -7.918 1.00 1.00 H new HETATM 0 H1CB RCY A 173 78.022 -1.081 -4.455 1.00 1.00 H new HETATM 0 H1CA RCY A 173 76.409 -0.364 -4.688 1.00 1.00 H new HETATM 0 H1Z RCY A 173 72.528 -1.519 -2.025 1.00 1.00 H new HETATM 0 H1Y RCY A 173 73.969 -1.831 -0.046 1.00 1.00 H new HETATM 0 H1V RCY A 173 77.060 -2.718 -1.164 1.00 1.00 H new HETATM 0 H1S RCY A 173 73.548 -0.827 -6.336 1.00 1.00 H new HETATM 0 H1M RCY A 173 75.787 -4.174 -2.051 1.00 1.00 H new HETATM 0 H1L RCY A 173 72.899 -2.938 -7.345 1.00 1.00 H new HETATM 0 H1C RCY A 173 77.473 0.240 -3.396 1.00 1.00 H new HETATM 1442 C1C RCY A 176 75.284 -7.030 -5.400 1.00 1.00 C HETATM 1443 O1G RCY A 176 76.003 -6.917 -8.082 1.00 1.00 O HETATM 1444 O1H RCY A 176 76.356 -2.458 -6.568 1.00 1.00 O HETATM 1445 O1J RCY A 176 76.181 -5.191 -3.191 1.00 1.00 O HETATM 1446 C1L RCY A 176 77.673 -5.161 -8.419 1.00 1.00 C HETATM 1447 C1M RCY A 176 73.793 -3.665 -5.774 1.00 1.00 C HETATM 1448 C1P RCY A 176 76.362 -5.756 -7.890 1.00 1.00 C HETATM 1449 C1Q RCY A 176 76.392 -3.466 -7.272 1.00 1.00 C HETATM 1450 N1R RCY A 176 75.558 -4.729 -7.096 1.00 1.00 N HETATM 1451 C1S RCY A 176 77.282 -3.681 -8.483 1.00 1.00 C HETATM 1452 C1U RCY A 176 74.252 -4.910 -6.320 1.00 1.00 C HETATM 1453 C1V RCY A 176 73.054 -6.216 -4.512 1.00 1.00 C HETATM 1454 N1V RCY A 176 75.131 -4.864 -4.151 1.00 1.00 N HETATM 1455 C1W RCY A 176 74.513 -3.496 -4.431 1.00 1.00 C HETATM 1456 C1X RCY A 176 74.408 -5.813 -5.098 1.00 1.00 C HETATM 1457 C1Y RCY A 176 73.518 -3.123 -3.329 1.00 1.00 C HETATM 1458 C1Z RCY A 176 75.627 -2.453 -4.525 1.00 1.00 C HETATM 0 H1VB RCY A 176 72.524 -6.850 -5.223 1.00 1.00 H new HETATM 0 H1VA RCY A 176 73.208 -6.764 -3.583 1.00 1.00 H new HETATM 0 H1CB RCY A 176 74.832 -7.614 -6.202 1.00 1.00 H new HETATM 0 H1CA RCY A 176 76.275 -6.697 -5.708 1.00 1.00 H new HETATM 0 H1V RCY A 176 72.463 -5.322 -4.312 1.00 1.00 H new HETATM 0 H1U RCY A 176 73.564 -5.337 -7.049 1.00 1.00 H new HETATM 0 H1S RCY A 176 76.754 -3.450 -9.408 1.00 1.00 H new HETATM 0 H1C RCY A 176 75.370 -7.647 -4.506 1.00 1.00 H new HETATM 1461 C1C RCY A 187 79.452 -1.639 -2.226 1.00 1.00 C HETATM 1462 O1G RCY A 187 82.529 -2.270 -0.586 1.00 1.00 O HETATM 1463 O1H RCY A 187 80.552 -6.532 -1.067 1.00 1.00 O HETATM 1464 O1J RCY A 187 78.267 -2.116 -4.953 1.00 1.00 O HETATM 1465 C1L RCY A 187 82.463 -4.257 0.841 1.00 1.00 C HETATM 1466 C1M RCY A 187 80.511 -4.912 -3.590 1.00 1.00 C HETATM 1467 C1P RCY A 187 82.124 -3.416 -0.396 1.00 1.00 C HETATM 1468 C1Q RCY A 187 80.946 -5.466 -0.596 1.00 1.00 C HETATM 1469 N1R RCY A 187 81.222 -4.179 -1.365 1.00 1.00 N HETATM 1470 C1S RCY A 187 81.247 -5.189 0.865 1.00 1.00 C HETATM 1471 C1U RCY A 187 80.719 -3.768 -2.750 1.00 1.00 C HETATM 1472 C1V RCY A 187 78.343 -3.893 -1.884 1.00 1.00 C HETATM 1473 N1V RCY A 187 78.982 -3.130 -4.183 1.00 1.00 N HETATM 1474 C1W RCY A 187 79.525 -4.468 -4.679 1.00 1.00 C HETATM 1475 C1X RCY A 187 79.351 -3.088 -2.706 1.00 1.00 C HETATM 1476 C1Y RCY A 187 78.390 -5.486 -4.824 1.00 1.00 C HETATM 1477 C1Z RCY A 187 80.233 -4.256 -6.017 1.00 1.00 C HETATM 0 H1ZB RCY A 187 80.997 -3.486 -5.907 1.00 1.00 H new HETATM 0 H1ZA RCY A 187 80.701 -5.188 -6.333 1.00 1.00 H new HETATM 0 H1YB RCY A 187 78.804 -6.457 -5.097 1.00 1.00 H new HETATM 0 H1YA RCY A 187 77.856 -5.573 -3.878 1.00 1.00 H new HETATM 0 H1VB RCY A 187 78.650 -3.901 -0.838 1.00 1.00 H new HETATM 0 H1VA RCY A 187 77.357 -3.436 -1.969 1.00 1.00 H new HETATM 0 H1MA RCY A 187 81.450 -5.249 -4.029 1.00 1.00 H new HETATM 0 H1LA RCY A 187 83.402 -4.799 0.733 1.00 1.00 H new HETATM 0 H1CB RCY A 187 79.877 -1.617 -1.223 1.00 1.00 H new HETATM 0 H1CA RCY A 187 80.093 -1.075 -2.904 1.00 1.00 H new HETATM 0 H1Z RCY A 187 79.507 -3.942 -6.767 1.00 1.00 H new HETATM 0 H1Y RCY A 187 77.701 -5.154 -5.601 1.00 1.00 H new HETATM 0 H1V RCY A 187 78.303 -4.916 -2.258 1.00 1.00 H new HETATM 0 H1U RCY A 187 81.489 -3.095 -3.127 1.00 1.00 H new HETATM 0 H1S RCY A 187 80.398 -4.720 1.362 1.00 1.00 H new HETATM 0 H1M RCY A 187 80.109 -5.748 -3.017 1.00 1.00 H new HETATM 0 H1L RCY A 187 82.545 -3.655 1.746 1.00 1.00 H new HETATM 0 H1C RCY A 187 78.458 -1.191 -2.209 1.00 1.00 H new