USER MOD reduce.3.24.130724 H: found=0, std=0, add=814, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 659 hydrogens (20 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 31 LYS HZ1 : A 31 LYS NZ : A 173 RCY C1C :...(NH2R) USER MOD NoAdj-H: A 31 LYS HZ2 : A 31 LYS NZ : A 173 RCY C1C :...(NH2R) USER MOD NoAdj-H: A 31 LYS HZ3 : A 31 LYS NZ : A 173 RCY C1C :...(NH2R) USER MOD NoAdj-H: A 110 RCYH1SA : A 110 RCY C1S : A 10 CYS SG :(H bumps) USER MOD NoAdj-H: A 121 RCYH1SA : A 121 RCY C1S : A 21 CYS SG :(H bumps) USER MOD NoAdj-H: A 130 RCYH1SA : A 130 RCY C1S : A 30 CYS SG :(H bumps) USER MOD NoAdj-H: A 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 RCY H1C : A 160 RCY C1C : A 68 CYS SG :(H bumps) USER MOD NoAdj-H: A 168 RCYH1SA : A 168 RCY C1S : A 68 CYS SG :(H bumps) USER MOD NoAdj-H: A 168 RCY H1S : A 168 RCY C1S : A 160 RCY O1J :(H bumps) USER MOD NoAdj-H: A 168 RCY H1L : A 168 RCY C1L : A 160 RCY N1V :(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 RCYH1CB : A 173 RCY C1C : A 31 LYS CE :(H bumps) USER MOD NoAdj-H: A 173 RCYH1CA : A 173 RCY C1C : A 31 LYS CE :(H bumps) USER MOD NoAdj-H: A 176 RCYH1SA : A 176 RCY C1S : A 76 CYS SG :(H bumps) USER MOD NoAdj-H: A 187 RCYH1SA : A 187 RCY C1S : A 87 CYS SG :(H bumps) USER MOD Set 1.1: A 62 THR OG1 : rot 180:sc= 0.0501! USER MOD Set 1.2: A 65 THR OG1 : rot -140:sc= -0.953 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -157:sc= -0.106 (180deg=-0.729) USER MOD Single : A 2 ASN : amide:sc= -1.4! C(o=-1.4!,f=-8.4!) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 32:sc= 0.233 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl -163:sc= -1.69! (180deg=-1.95!) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -178:sc= -1.95 (180deg=-1.97) USER MOD Single : A 32 GLN : amide:sc= -0.8 K(o=-0.8,f=-1.6) USER MOD Single : A 34 GLN : amide:sc= -4.02! C(o=-4!,f=-7!) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -0.177 X(o=-0.18,f=-0.66) USER MOD Single : A 39 LYS NZ :NH3+ 136:sc= -1.47 (180deg=-4.16!) USER MOD Single : A 40 SER OG : rot 180:sc=-0.00301 USER MOD Single : A 41 LYS NZ :NH3+ -163:sc= -0.0158 (180deg=-0.412) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 146:sc= -0.33 (180deg=-1.46!) USER MOD Single : A 48 GLN : amide:sc= -4.2! C(o=-4.2!,f=-5.2!) USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc= -2.09! C(o=-2.1!,f=-3.4!) USER MOD Single : A 75 HIS : no HE2:sc= -12.9! C(o=-13!,f=-19!) USER MOD Single : A 79 HIS : no HE2:sc= -0.67 K(o=-0.67,f=-4.6!) USER MOD Single : A 83 GLN : amide:sc= -0.697 K(o=-0.7,f=-0.035) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 68.476 -19.526 9.382 1.00 1.00 N ATOM 2 CA MET A 1 68.043 -18.218 9.949 1.00 1.00 C ATOM 3 C MET A 1 68.282 -18.214 11.461 1.00 1.00 C ATOM 4 O MET A 1 69.238 -18.783 11.949 1.00 1.00 O ATOM 5 CB MET A 1 66.553 -18.008 9.668 1.00 1.00 C ATOM 6 CG MET A 1 66.256 -18.347 8.206 1.00 1.00 C ATOM 7 SD MET A 1 64.531 -17.944 7.832 1.00 1.00 S ATOM 8 CE MET A 1 64.811 -16.245 7.275 1.00 1.00 C ATOM 0 H1 MET A 1 68.687 -19.413 8.370 1.00 1.00 H new ATOM 0 H2 MET A 1 69.329 -19.854 9.879 1.00 1.00 H new ATOM 0 H3 MET A 1 67.715 -20.225 9.501 1.00 1.00 H new ATOM 0 HA MET A 1 68.617 -17.414 9.488 1.00 1.00 H new ATOM 0 HB2 MET A 1 65.956 -18.638 10.327 1.00 1.00 H new ATOM 0 HB3 MET A 1 66.275 -16.975 9.876 1.00 1.00 H new ATOM 0 HG2 MET A 1 66.922 -17.787 7.549 1.00 1.00 H new ATOM 0 HG3 MET A 1 66.442 -19.405 8.022 1.00 1.00 H new ATOM 0 HE1 MET A 1 63.861 -15.795 6.989 1.00 1.00 H new ATOM 0 HE2 MET A 1 65.258 -15.666 8.083 1.00 1.00 H new ATOM 0 HE3 MET A 1 65.483 -16.250 6.417 1.00 1.00 H new ATOM 17 N ASN A 2 67.420 -17.576 12.205 1.00 1.00 N ATOM 18 CA ASN A 2 67.598 -17.534 13.685 1.00 1.00 C ATOM 19 C ASN A 2 66.237 -17.336 14.355 1.00 1.00 C ATOM 20 O ASN A 2 65.325 -16.778 13.776 1.00 1.00 O ATOM 21 CB ASN A 2 68.523 -16.373 14.056 1.00 1.00 C ATOM 22 CG ASN A 2 68.005 -15.083 13.418 1.00 1.00 C ATOM 23 OD1 ASN A 2 67.260 -15.122 12.459 1.00 1.00 O ATOM 24 ND2 ASN A 2 68.371 -13.932 13.913 1.00 1.00 N ATOM 0 H ASN A 2 66.600 -17.082 11.852 1.00 1.00 H new ATOM 0 HA ASN A 2 68.039 -18.471 14.025 1.00 1.00 H new ATOM 0 HB2 ASN A 2 68.569 -16.262 15.139 1.00 1.00 H new ATOM 0 HB3 ASN A 2 69.537 -16.579 13.714 1.00 1.00 H new ATOM 0 HD21 ASN A 2 68.032 -13.066 13.495 1.00 1.00 H new ATOM 0 HD22 ASN A 2 68.996 -13.899 14.718 1.00 1.00 H new ATOM 31 N LEU A 3 66.090 -17.789 15.570 1.00 1.00 N ATOM 32 CA LEU A 3 64.787 -17.627 16.275 1.00 1.00 C ATOM 33 C LEU A 3 64.717 -16.234 16.905 1.00 1.00 C ATOM 34 O LEU A 3 65.113 -16.034 18.036 1.00 1.00 O ATOM 35 CB LEU A 3 64.663 -18.690 17.369 1.00 1.00 C ATOM 36 CG LEU A 3 63.214 -18.761 17.854 1.00 1.00 C ATOM 37 CD1 LEU A 3 62.351 -19.439 16.787 1.00 1.00 C ATOM 38 CD2 LEU A 3 63.150 -19.572 19.150 1.00 1.00 C ATOM 0 H LEU A 3 66.816 -18.265 16.105 1.00 1.00 H new ATOM 0 HA LEU A 3 63.971 -17.744 15.562 1.00 1.00 H new ATOM 0 HB2 LEU A 3 64.976 -19.661 16.984 1.00 1.00 H new ATOM 0 HB3 LEU A 3 65.324 -18.449 18.201 1.00 1.00 H new ATOM 0 HG LEU A 3 62.842 -17.753 18.036 1.00 1.00 H new ATOM 0 HD11 LEU A 3 61.318 -19.490 17.132 1.00 1.00 H new ATOM 0 HD12 LEU A 3 62.397 -18.863 15.862 1.00 1.00 H new ATOM 0 HD13 LEU A 3 62.723 -20.447 16.605 1.00 1.00 H new ATOM 0 HD21 LEU A 3 62.118 -19.623 19.497 1.00 1.00 H new ATOM 0 HD22 LEU A 3 63.522 -20.580 18.967 1.00 1.00 H new ATOM 0 HD23 LEU A 3 63.765 -19.091 19.911 1.00 1.00 H new ATOM 50 N GLU A 4 64.216 -15.270 16.178 1.00 1.00 N ATOM 51 CA GLU A 4 64.115 -13.883 16.723 1.00 1.00 C ATOM 52 C GLU A 4 62.688 -13.366 16.511 1.00 1.00 C ATOM 53 O GLU A 4 61.965 -13.856 15.667 1.00 1.00 O ATOM 54 CB GLU A 4 65.111 -12.977 15.982 1.00 1.00 C ATOM 55 CG GLU A 4 66.386 -12.829 16.815 1.00 1.00 C ATOM 56 CD GLU A 4 67.372 -11.918 16.083 1.00 1.00 C ATOM 57 OE1 GLU A 4 66.926 -11.133 15.262 1.00 1.00 O ATOM 58 OE2 GLU A 4 68.557 -12.020 16.355 1.00 1.00 O ATOM 0 H GLU A 4 63.871 -15.384 15.225 1.00 1.00 H new ATOM 0 HA GLU A 4 64.348 -13.881 17.788 1.00 1.00 H new ATOM 0 HB2 GLU A 4 65.349 -13.402 15.007 1.00 1.00 H new ATOM 0 HB3 GLU A 4 64.665 -11.998 15.804 1.00 1.00 H new ATOM 0 HG2 GLU A 4 66.147 -12.412 17.793 1.00 1.00 H new ATOM 0 HG3 GLU A 4 66.836 -13.807 16.986 1.00 1.00 H new ATOM 65 N PRO A 5 62.286 -12.381 17.273 1.00 1.00 N ATOM 66 CA PRO A 5 60.927 -11.787 17.168 1.00 1.00 C ATOM 67 C PRO A 5 60.435 -11.723 15.712 1.00 1.00 C ATOM 68 O PRO A 5 61.018 -11.042 14.892 1.00 1.00 O ATOM 69 CB PRO A 5 61.128 -10.382 17.733 1.00 1.00 C ATOM 70 CG PRO A 5 62.219 -10.523 18.745 1.00 1.00 C ATOM 71 CD PRO A 5 63.082 -11.717 18.318 1.00 1.00 C ATOM 0 HA PRO A 5 60.172 -12.371 17.694 1.00 1.00 H new ATOM 0 HB2 PRO A 5 61.406 -9.678 16.949 1.00 1.00 H new ATOM 0 HB3 PRO A 5 60.213 -10.006 18.190 1.00 1.00 H new ATOM 0 HG2 PRO A 5 62.818 -9.614 18.794 1.00 1.00 H new ATOM 0 HG3 PRO A 5 61.803 -10.685 19.739 1.00 1.00 H new ATOM 0 HD2 PRO A 5 64.050 -11.393 17.936 1.00 1.00 H new ATOM 0 HD3 PRO A 5 63.278 -12.387 19.155 1.00 1.00 H new ATOM 79 N PRO A 6 59.377 -12.428 15.387 1.00 1.00 N ATOM 80 CA PRO A 6 58.824 -12.441 14.003 1.00 1.00 C ATOM 81 C PRO A 6 58.000 -11.186 13.696 1.00 1.00 C ATOM 82 O PRO A 6 57.133 -10.800 14.454 1.00 1.00 O ATOM 83 CB PRO A 6 57.939 -13.689 13.984 1.00 1.00 C ATOM 84 CG PRO A 6 57.495 -13.869 15.399 1.00 1.00 C ATOM 85 CD PRO A 6 58.596 -13.286 16.293 1.00 1.00 C ATOM 0 HA PRO A 6 59.610 -12.454 13.248 1.00 1.00 H new ATOM 0 HB2 PRO A 6 57.087 -13.559 13.317 1.00 1.00 H new ATOM 0 HB3 PRO A 6 58.491 -14.559 13.630 1.00 1.00 H new ATOM 0 HG2 PRO A 6 56.547 -13.360 15.573 1.00 1.00 H new ATOM 0 HG3 PRO A 6 57.336 -14.924 15.622 1.00 1.00 H new ATOM 0 HD2 PRO A 6 58.176 -12.714 17.121 1.00 1.00 H new ATOM 0 HD3 PRO A 6 59.213 -14.072 16.729 1.00 1.00 H new ATOM 93 N LYS A 7 58.265 -10.552 12.587 1.00 1.00 N ATOM 94 CA LYS A 7 57.503 -9.324 12.223 1.00 1.00 C ATOM 95 C LYS A 7 57.786 -8.982 10.758 1.00 1.00 C ATOM 96 O LYS A 7 57.392 -7.944 10.263 1.00 1.00 O ATOM 97 CB LYS A 7 57.951 -8.162 13.122 1.00 1.00 C ATOM 98 CG LYS A 7 56.798 -7.748 14.038 1.00 1.00 C ATOM 99 CD LYS A 7 55.666 -7.153 13.198 1.00 1.00 C ATOM 100 CE LYS A 7 54.490 -8.130 13.160 1.00 1.00 C ATOM 101 NZ LYS A 7 53.243 -7.422 13.568 1.00 1.00 N ATOM 0 H LYS A 7 58.979 -10.833 11.915 1.00 1.00 H new ATOM 0 HA LYS A 7 56.435 -9.493 12.361 1.00 1.00 H new ATOM 0 HB2 LYS A 7 58.813 -8.462 13.718 1.00 1.00 H new ATOM 0 HB3 LYS A 7 58.265 -7.316 12.511 1.00 1.00 H new ATOM 0 HG2 LYS A 7 56.436 -8.611 14.596 1.00 1.00 H new ATOM 0 HG3 LYS A 7 57.145 -7.018 14.769 1.00 1.00 H new ATOM 0 HD2 LYS A 7 55.347 -6.200 13.621 1.00 1.00 H new ATOM 0 HD3 LYS A 7 56.017 -6.951 12.186 1.00 1.00 H new ATOM 0 HE2 LYS A 7 54.376 -8.540 12.157 1.00 1.00 H new ATOM 0 HE3 LYS A 7 54.679 -8.970 13.828 1.00 1.00 H new ATOM 0 HZ1 LYS A 7 52.443 -8.086 13.542 1.00 1.00 H new ATOM 0 HZ2 LYS A 7 53.354 -7.051 14.533 1.00 1.00 H new ATOM 0 HZ3 LYS A 7 53.061 -6.635 12.913 1.00 1.00 H new ATOM 115 N ALA A 8 58.473 -9.849 10.067 1.00 1.00 N ATOM 116 CA ALA A 8 58.797 -9.588 8.635 1.00 1.00 C ATOM 117 C ALA A 8 57.565 -9.037 7.911 1.00 1.00 C ATOM 118 O ALA A 8 57.316 -7.848 7.908 1.00 1.00 O ATOM 119 CB ALA A 8 59.237 -10.893 7.969 1.00 1.00 C ATOM 0 H ALA A 8 58.826 -10.733 10.434 1.00 1.00 H new ATOM 0 HA ALA A 8 59.602 -8.855 8.578 1.00 1.00 H new ATOM 0 HB1 ALA A 8 59.474 -10.705 6.922 1.00 1.00 H new ATOM 0 HB2 ALA A 8 60.120 -11.281 8.477 1.00 1.00 H new ATOM 0 HB3 ALA A 8 58.431 -11.624 8.033 1.00 1.00 H new ATOM 125 N GLU A 9 56.795 -9.890 7.292 1.00 1.00 N ATOM 126 CA GLU A 9 55.585 -9.409 6.566 1.00 1.00 C ATOM 127 C GLU A 9 55.975 -8.233 5.665 1.00 1.00 C ATOM 128 O GLU A 9 55.136 -7.487 5.202 1.00 1.00 O ATOM 129 CB GLU A 9 54.523 -8.959 7.580 1.00 1.00 C ATOM 130 CG GLU A 9 53.442 -10.035 7.699 1.00 1.00 C ATOM 131 CD GLU A 9 52.596 -10.052 6.424 1.00 1.00 C ATOM 132 OE1 GLU A 9 51.626 -9.314 6.371 1.00 1.00 O ATOM 133 OE2 GLU A 9 52.932 -10.803 5.524 1.00 1.00 O ATOM 0 H GLU A 9 56.951 -10.897 7.258 1.00 1.00 H new ATOM 0 HA GLU A 9 55.176 -10.214 5.956 1.00 1.00 H new ATOM 0 HB2 GLU A 9 54.984 -8.783 8.552 1.00 1.00 H new ATOM 0 HB3 GLU A 9 54.079 -8.016 7.263 1.00 1.00 H new ATOM 0 HG2 GLU A 9 53.901 -11.011 7.856 1.00 1.00 H new ATOM 0 HG3 GLU A 9 52.810 -9.837 8.565 1.00 1.00 H new ATOM 140 N CYS A 10 57.245 -8.065 5.415 1.00 1.00 N ATOM 141 CA CYS A 10 57.693 -6.940 4.547 1.00 1.00 C ATOM 142 C CYS A 10 57.081 -5.631 5.051 1.00 1.00 C ATOM 143 O CYS A 10 57.596 -5.002 5.955 1.00 1.00 O ATOM 144 CB CYS A 10 57.241 -7.196 3.107 1.00 1.00 C ATOM 145 SG CYS A 10 57.408 -5.674 2.142 1.00 1.00 S ATOM 0 H CYS A 10 57.992 -8.659 5.775 1.00 1.00 H new ATOM 0 HA CYS A 10 58.780 -6.867 4.578 1.00 1.00 H new ATOM 0 HB2 CYS A 10 57.842 -7.989 2.662 1.00 1.00 H new ATOM 0 HB3 CYS A 10 56.205 -7.535 3.095 1.00 1.00 H new ATOM 150 N ARG A 11 55.987 -5.213 4.475 1.00 1.00 N ATOM 151 CA ARG A 11 55.349 -3.943 4.925 1.00 1.00 C ATOM 152 C ARG A 11 53.880 -3.930 4.489 1.00 1.00 C ATOM 153 O ARG A 11 53.188 -4.924 4.580 1.00 1.00 O ATOM 154 CB ARG A 11 56.092 -2.753 4.301 1.00 1.00 C ATOM 155 CG ARG A 11 56.008 -1.545 5.236 1.00 1.00 C ATOM 156 CD ARG A 11 57.109 -1.640 6.294 1.00 1.00 C ATOM 157 NE ARG A 11 57.214 -0.343 7.019 1.00 1.00 N ATOM 158 CZ ARG A 11 58.070 -0.209 7.996 1.00 1.00 C ATOM 159 NH1 ARG A 11 58.833 -1.211 8.337 1.00 1.00 N ATOM 160 NH2 ARG A 11 58.162 0.928 8.631 1.00 1.00 N ATOM 0 H ARG A 11 55.508 -5.695 3.714 1.00 1.00 H new ATOM 0 HA ARG A 11 55.400 -3.868 6.011 1.00 1.00 H new ATOM 0 HB2 ARG A 11 57.135 -3.016 4.123 1.00 1.00 H new ATOM 0 HB3 ARG A 11 55.656 -2.507 3.333 1.00 1.00 H new ATOM 0 HG2 ARG A 11 56.116 -0.622 4.666 1.00 1.00 H new ATOM 0 HG3 ARG A 11 55.030 -1.511 5.716 1.00 1.00 H new ATOM 0 HD2 ARG A 11 56.886 -2.444 6.995 1.00 1.00 H new ATOM 0 HD3 ARG A 11 58.061 -1.884 5.823 1.00 1.00 H new ATOM 0 HE ARG A 11 56.617 0.440 6.752 1.00 1.00 H new ATOM 0 HH11 ARG A 11 58.761 -2.099 7.840 1.00 1.00 H new ATOM 0 HH12 ARG A 11 59.502 -1.106 9.100 1.00 1.00 H new ATOM 0 HH21 ARG A 11 57.565 1.711 8.364 1.00 1.00 H new ATOM 0 HH22 ARG A 11 58.830 1.033 9.394 1.00 1.00 H new ATOM 174 N SER A 12 53.397 -2.812 4.018 1.00 1.00 N ATOM 175 CA SER A 12 51.973 -2.739 3.580 1.00 1.00 C ATOM 176 C SER A 12 51.832 -1.692 2.470 1.00 1.00 C ATOM 177 O SER A 12 50.776 -1.523 1.895 1.00 1.00 O ATOM 178 CB SER A 12 51.097 -2.347 4.772 1.00 1.00 C ATOM 179 OG SER A 12 50.637 -3.524 5.421 1.00 1.00 O ATOM 0 H SER A 12 53.927 -1.946 3.918 1.00 1.00 H new ATOM 0 HA SER A 12 51.656 -3.710 3.200 1.00 1.00 H new ATOM 0 HB2 SER A 12 51.665 -1.731 5.469 1.00 1.00 H new ATOM 0 HB3 SER A 12 50.250 -1.749 4.435 1.00 1.00 H new ATOM 0 HG SER A 12 51.310 -4.230 5.333 1.00 1.00 H new ATOM 185 N ALA A 13 52.889 -0.988 2.167 1.00 1.00 N ATOM 186 CA ALA A 13 52.815 0.048 1.095 1.00 1.00 C ATOM 187 C ALA A 13 54.141 0.088 0.332 1.00 1.00 C ATOM 188 O ALA A 13 55.101 0.691 0.767 1.00 1.00 O ATOM 189 CB ALA A 13 52.551 1.416 1.728 1.00 1.00 C ATOM 0 H ALA A 13 53.800 -1.085 2.615 1.00 1.00 H new ATOM 0 HA ALA A 13 52.007 -0.198 0.406 1.00 1.00 H new ATOM 0 HB1 ALA A 13 52.497 2.174 0.947 1.00 1.00 H new ATOM 0 HB2 ALA A 13 51.608 1.389 2.273 1.00 1.00 H new ATOM 0 HB3 ALA A 13 53.361 1.661 2.416 1.00 1.00 H new ATOM 195 N THR A 14 54.199 -0.548 -0.808 1.00 1.00 N ATOM 196 CA THR A 14 55.461 -0.546 -1.603 1.00 1.00 C ATOM 197 C THR A 14 55.398 0.565 -2.653 1.00 1.00 C ATOM 198 O THR A 14 54.338 1.060 -2.983 1.00 1.00 O ATOM 199 CB THR A 14 55.624 -1.898 -2.302 1.00 1.00 C ATOM 200 OG1 THR A 14 54.458 -2.179 -3.062 1.00 1.00 O ATOM 201 CG2 THR A 14 55.831 -2.994 -1.256 1.00 1.00 C ATOM 0 H THR A 14 53.426 -1.069 -1.223 1.00 1.00 H new ATOM 0 HA THR A 14 56.309 -0.374 -0.940 1.00 1.00 H new ATOM 0 HB THR A 14 56.490 -1.864 -2.964 1.00 1.00 H new ATOM 0 HG1 THR A 14 54.561 -3.044 -3.512 1.00 1.00 H new ATOM 0 HG21 THR A 14 55.947 -3.956 -1.755 1.00 1.00 H new ATOM 0 HG22 THR A 14 56.727 -2.777 -0.674 1.00 1.00 H new ATOM 0 HG23 THR A 14 54.967 -3.031 -0.592 1.00 1.00 H new ATOM 209 N ARG A 15 56.526 0.961 -3.182 1.00 1.00 N ATOM 210 CA ARG A 15 56.534 2.042 -4.211 1.00 1.00 C ATOM 211 C ARG A 15 57.578 1.716 -5.283 1.00 1.00 C ATOM 212 O ARG A 15 57.901 2.539 -6.117 1.00 1.00 O ATOM 213 CB ARG A 15 56.883 3.377 -3.546 1.00 1.00 C ATOM 214 CG ARG A 15 55.650 3.929 -2.828 1.00 1.00 C ATOM 215 CD ARG A 15 56.076 5.032 -1.857 1.00 1.00 C ATOM 216 NE ARG A 15 56.990 4.462 -0.827 1.00 1.00 N ATOM 217 CZ ARG A 15 57.196 5.104 0.290 1.00 1.00 C ATOM 218 NH1 ARG A 15 56.601 6.246 0.505 1.00 1.00 N ATOM 219 NH2 ARG A 15 57.996 4.605 1.192 1.00 1.00 N ATOM 0 H ARG A 15 57.443 0.582 -2.945 1.00 1.00 H new ATOM 0 HA ARG A 15 55.549 2.113 -4.672 1.00 1.00 H new ATOM 0 HB2 ARG A 15 57.699 3.239 -2.836 1.00 1.00 H new ATOM 0 HB3 ARG A 15 57.229 4.089 -4.295 1.00 1.00 H new ATOM 0 HG2 ARG A 15 54.939 4.324 -3.554 1.00 1.00 H new ATOM 0 HG3 ARG A 15 55.143 3.130 -2.287 1.00 1.00 H new ATOM 0 HD2 ARG A 15 56.577 5.835 -2.399 1.00 1.00 H new ATOM 0 HD3 ARG A 15 55.199 5.469 -1.379 1.00 1.00 H new ATOM 0 HE ARG A 15 57.455 3.570 -0.995 1.00 1.00 H new ATOM 0 HH11 ARG A 15 55.975 6.636 -0.200 1.00 1.00 H new ATOM 0 HH12 ARG A 15 56.762 6.748 1.378 1.00 1.00 H new ATOM 0 HH21 ARG A 15 58.461 3.713 1.024 1.00 1.00 H new ATOM 0 HH22 ARG A 15 58.157 5.107 2.065 1.00 1.00 H new ATOM 233 N VAL A 16 58.109 0.524 -5.267 1.00 1.00 N ATOM 234 CA VAL A 16 59.132 0.150 -6.285 1.00 1.00 C ATOM 235 C VAL A 16 58.510 0.211 -7.682 1.00 1.00 C ATOM 236 O VAL A 16 57.462 -0.351 -7.931 1.00 1.00 O ATOM 237 CB VAL A 16 59.629 -1.271 -6.012 1.00 1.00 C ATOM 238 CG1 VAL A 16 60.582 -1.703 -7.128 1.00 1.00 C ATOM 239 CG2 VAL A 16 60.368 -1.303 -4.672 1.00 1.00 C ATOM 0 H VAL A 16 57.879 -0.207 -4.594 1.00 1.00 H new ATOM 0 HA VAL A 16 59.969 0.846 -6.229 1.00 1.00 H new ATOM 0 HB VAL A 16 58.779 -1.952 -5.977 1.00 1.00 H new ATOM 0 HG11 VAL A 16 60.936 -2.715 -6.933 1.00 1.00 H new ATOM 0 HG12 VAL A 16 60.058 -1.680 -8.083 1.00 1.00 H new ATOM 0 HG13 VAL A 16 61.432 -1.022 -7.164 1.00 1.00 H new ATOM 0 HG21 VAL A 16 60.723 -2.315 -4.476 1.00 1.00 H new ATOM 0 HG22 VAL A 16 61.218 -0.621 -4.709 1.00 1.00 H new ATOM 0 HG23 VAL A 16 59.690 -0.996 -3.875 1.00 1.00 H new ATOM 249 N MET A 17 59.148 0.889 -8.597 1.00 1.00 N ATOM 250 CA MET A 17 58.593 0.983 -9.977 1.00 1.00 C ATOM 251 C MET A 17 58.950 -0.284 -10.757 1.00 1.00 C ATOM 252 O MET A 17 58.388 -0.564 -11.797 1.00 1.00 O ATOM 253 CB MET A 17 59.186 2.205 -10.686 1.00 1.00 C ATOM 254 CG MET A 17 60.710 2.078 -10.738 1.00 1.00 C ATOM 255 SD MET A 17 61.182 1.058 -12.157 1.00 1.00 S ATOM 256 CE MET A 17 62.905 0.784 -11.677 1.00 1.00 C ATOM 0 H MET A 17 60.029 1.381 -8.449 1.00 1.00 H new ATOM 0 HA MET A 17 57.509 1.085 -9.926 1.00 1.00 H new ATOM 0 HB2 MET A 17 58.783 2.284 -11.696 1.00 1.00 H new ATOM 0 HB3 MET A 17 58.905 3.116 -10.158 1.00 1.00 H new ATOM 0 HG2 MET A 17 61.165 3.065 -10.818 1.00 1.00 H new ATOM 0 HG3 MET A 17 61.080 1.630 -9.816 1.00 1.00 H new ATOM 0 HE1 MET A 17 63.472 0.437 -12.540 1.00 1.00 H new ATOM 0 HE2 MET A 17 63.334 1.717 -11.312 1.00 1.00 H new ATOM 0 HE3 MET A 17 62.948 0.033 -10.889 1.00 1.00 H new ATOM 266 N GLY A 18 59.881 -1.053 -10.262 1.00 1.00 N ATOM 267 CA GLY A 18 60.274 -2.303 -10.974 1.00 1.00 C ATOM 268 C GLY A 18 60.771 -1.961 -12.380 1.00 1.00 C ATOM 269 O GLY A 18 61.875 -1.487 -12.560 1.00 1.00 O ATOM 0 H GLY A 18 60.387 -0.870 -9.395 1.00 1.00 H new ATOM 0 HA2 GLY A 18 61.056 -2.820 -10.417 1.00 1.00 H new ATOM 0 HA3 GLY A 18 59.423 -2.982 -11.034 1.00 1.00 H new ATOM 273 N GLY A 19 59.965 -2.199 -13.379 1.00 1.00 N ATOM 274 CA GLY A 19 60.390 -1.890 -14.775 1.00 1.00 C ATOM 275 C GLY A 19 61.641 -2.708 -15.125 1.00 1.00 C ATOM 276 O GLY A 19 62.481 -2.951 -14.281 1.00 1.00 O ATOM 0 H GLY A 19 59.029 -2.595 -13.289 1.00 1.00 H new ATOM 0 HA2 GLY A 19 59.584 -2.123 -15.471 1.00 1.00 H new ATOM 0 HA3 GLY A 19 60.600 -0.825 -14.875 1.00 1.00 H new ATOM 280 N PRO A 20 61.770 -3.130 -16.360 1.00 1.00 N ATOM 281 CA PRO A 20 62.944 -3.929 -16.817 1.00 1.00 C ATOM 282 C PRO A 20 64.274 -3.387 -16.279 1.00 1.00 C ATOM 283 O PRO A 20 64.569 -2.214 -16.393 1.00 1.00 O ATOM 284 CB PRO A 20 62.894 -3.802 -18.342 1.00 1.00 C ATOM 285 CG PRO A 20 61.454 -3.574 -18.669 1.00 1.00 C ATOM 286 CD PRO A 20 60.816 -2.891 -17.455 1.00 1.00 C ATOM 0 HA PRO A 20 62.894 -4.957 -16.459 1.00 1.00 H new ATOM 0 HB2 PRO A 20 63.512 -2.974 -18.689 1.00 1.00 H new ATOM 0 HB3 PRO A 20 63.269 -4.704 -18.825 1.00 1.00 H new ATOM 0 HG2 PRO A 20 61.355 -2.950 -19.557 1.00 1.00 H new ATOM 0 HG3 PRO A 20 60.955 -4.518 -18.886 1.00 1.00 H new ATOM 0 HD2 PRO A 20 60.670 -1.825 -17.630 1.00 1.00 H new ATOM 0 HD3 PRO A 20 59.837 -3.314 -17.229 1.00 1.00 H new ATOM 294 N CYS A 21 65.081 -4.236 -15.697 1.00 1.00 N ATOM 295 CA CYS A 21 66.394 -3.776 -15.157 1.00 1.00 C ATOM 296 C CYS A 21 67.477 -3.963 -16.224 1.00 1.00 C ATOM 297 O CYS A 21 67.979 -5.051 -16.425 1.00 1.00 O ATOM 298 CB CYS A 21 66.754 -4.601 -13.918 1.00 1.00 C ATOM 299 SG CYS A 21 66.305 -3.679 -12.426 1.00 1.00 S ATOM 0 H CYS A 21 64.886 -5.230 -15.573 1.00 1.00 H new ATOM 0 HA CYS A 21 66.326 -2.722 -14.886 1.00 1.00 H new ATOM 0 HB2 CYS A 21 66.230 -5.556 -13.939 1.00 1.00 H new ATOM 0 HB3 CYS A 21 67.821 -4.823 -13.914 1.00 1.00 H new ATOM 304 N THR A 22 67.846 -2.910 -16.904 1.00 1.00 N ATOM 305 CA THR A 22 68.903 -3.023 -17.957 1.00 1.00 C ATOM 306 C THR A 22 70.046 -2.050 -17.631 1.00 1.00 C ATOM 307 O THR A 22 69.840 -0.854 -17.575 1.00 1.00 O ATOM 308 CB THR A 22 68.299 -2.657 -19.316 1.00 1.00 C ATOM 309 OG1 THR A 22 69.324 -2.176 -20.173 1.00 1.00 O ATOM 310 CG2 THR A 22 67.236 -1.573 -19.129 1.00 1.00 C ATOM 0 H THR A 22 67.461 -1.974 -16.777 1.00 1.00 H new ATOM 0 HA THR A 22 69.287 -4.043 -17.988 1.00 1.00 H new ATOM 0 HB THR A 22 67.839 -3.540 -19.760 1.00 1.00 H new ATOM 0 HG1 THR A 22 68.940 -1.943 -21.044 1.00 1.00 H new ATOM 0 HG21 THR A 22 66.807 -1.313 -20.097 1.00 1.00 H new ATOM 0 HG22 THR A 22 66.450 -1.944 -18.471 1.00 1.00 H new ATOM 0 HG23 THR A 22 67.693 -0.688 -18.685 1.00 1.00 H new ATOM 318 N PRO A 23 71.245 -2.546 -17.412 1.00 1.00 N ATOM 319 CA PRO A 23 72.416 -1.682 -17.086 1.00 1.00 C ATOM 320 C PRO A 23 72.486 -0.435 -17.973 1.00 1.00 C ATOM 321 O PRO A 23 71.846 -0.358 -19.003 1.00 1.00 O ATOM 322 CB PRO A 23 73.615 -2.592 -17.345 1.00 1.00 C ATOM 323 CG PRO A 23 73.107 -3.973 -17.089 1.00 1.00 C ATOM 324 CD PRO A 23 71.617 -3.970 -17.449 1.00 1.00 C ATOM 0 HA PRO A 23 72.368 -1.301 -16.066 1.00 1.00 H new ATOM 0 HB2 PRO A 23 73.978 -2.487 -18.367 1.00 1.00 H new ATOM 0 HB3 PRO A 23 74.447 -2.348 -16.685 1.00 1.00 H new ATOM 0 HG2 PRO A 23 73.649 -4.702 -17.691 1.00 1.00 H new ATOM 0 HG3 PRO A 23 73.252 -4.251 -16.045 1.00 1.00 H new ATOM 0 HD2 PRO A 23 71.443 -4.402 -18.434 1.00 1.00 H new ATOM 0 HD3 PRO A 23 71.033 -4.554 -16.737 1.00 1.00 H new ATOM 332 N ARG A 24 73.259 0.542 -17.580 1.00 1.00 N ATOM 333 CA ARG A 24 73.370 1.783 -18.400 1.00 1.00 C ATOM 334 C ARG A 24 74.811 2.295 -18.358 1.00 1.00 C ATOM 335 O ARG A 24 75.715 1.664 -18.870 1.00 1.00 O ATOM 336 CB ARG A 24 72.425 2.852 -17.844 1.00 1.00 C ATOM 337 CG ARG A 24 70.975 2.412 -18.057 1.00 1.00 C ATOM 338 CD ARG A 24 70.032 3.438 -17.426 1.00 1.00 C ATOM 339 NE ARG A 24 68.698 2.814 -17.202 1.00 1.00 N ATOM 340 CZ ARG A 24 67.762 3.480 -16.582 1.00 1.00 C ATOM 341 NH1 ARG A 24 67.995 4.692 -16.158 1.00 1.00 N ATOM 342 NH2 ARG A 24 66.593 2.933 -16.386 1.00 1.00 N ATOM 0 H ARG A 24 73.818 0.534 -16.727 1.00 1.00 H new ATOM 0 HA ARG A 24 73.095 1.563 -19.432 1.00 1.00 H new ATOM 0 HB2 ARG A 24 72.617 3.006 -16.782 1.00 1.00 H new ATOM 0 HB3 ARG A 24 72.604 3.805 -18.342 1.00 1.00 H new ATOM 0 HG2 ARG A 24 70.766 2.317 -19.122 1.00 1.00 H new ATOM 0 HG3 ARG A 24 70.812 1.431 -17.611 1.00 1.00 H new ATOM 0 HD2 ARG A 24 70.443 3.793 -16.481 1.00 1.00 H new ATOM 0 HD3 ARG A 24 69.934 4.307 -18.077 1.00 1.00 H new ATOM 0 HE ARG A 24 68.516 1.867 -17.533 1.00 1.00 H new ATOM 0 HH11 ARG A 24 68.909 5.119 -16.311 1.00 1.00 H new ATOM 0 HH12 ARG A 24 67.264 5.212 -15.674 1.00 1.00 H new ATOM 0 HH21 ARG A 24 66.411 1.986 -16.717 1.00 1.00 H new ATOM 0 HH22 ARG A 24 65.861 3.453 -15.902 1.00 1.00 H new ATOM 356 N LYS A 25 75.037 3.435 -17.757 1.00 1.00 N ATOM 357 CA LYS A 25 76.425 3.985 -17.692 1.00 1.00 C ATOM 358 C LYS A 25 76.712 4.499 -16.277 1.00 1.00 C ATOM 359 O LYS A 25 77.390 3.856 -15.501 1.00 1.00 O ATOM 360 CB LYS A 25 76.591 5.134 -18.709 1.00 1.00 C ATOM 361 CG LYS A 25 75.252 5.413 -19.395 1.00 1.00 C ATOM 362 CD LYS A 25 74.362 6.236 -18.463 1.00 1.00 C ATOM 363 CE LYS A 25 73.133 6.726 -19.231 1.00 1.00 C ATOM 364 NZ LYS A 25 72.465 7.812 -18.460 1.00 1.00 N ATOM 0 H LYS A 25 74.322 4.008 -17.309 1.00 1.00 H new ATOM 0 HA LYS A 25 77.131 3.192 -17.938 1.00 1.00 H new ATOM 0 HB2 LYS A 25 76.945 6.032 -18.203 1.00 1.00 H new ATOM 0 HB3 LYS A 25 77.343 4.869 -19.452 1.00 1.00 H new ATOM 0 HG2 LYS A 25 75.415 5.952 -20.329 1.00 1.00 H new ATOM 0 HG3 LYS A 25 74.760 4.475 -19.650 1.00 1.00 H new ATOM 0 HD2 LYS A 25 74.054 5.632 -17.610 1.00 1.00 H new ATOM 0 HD3 LYS A 25 74.919 7.085 -18.067 1.00 1.00 H new ATOM 0 HE2 LYS A 25 73.428 7.092 -20.214 1.00 1.00 H new ATOM 0 HE3 LYS A 25 72.439 5.901 -19.393 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 71.630 8.145 -18.982 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 72.171 7.448 -17.531 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 73.128 8.602 -18.328 1.00 1.00 H new ATOM 378 N GLY A 26 76.207 5.655 -15.935 1.00 1.00 N ATOM 379 CA GLY A 26 76.460 6.206 -14.572 1.00 1.00 C ATOM 380 C GLY A 26 77.688 7.128 -14.610 1.00 1.00 C ATOM 381 O GLY A 26 78.808 6.668 -14.711 1.00 1.00 O ATOM 0 H GLY A 26 75.631 6.240 -16.540 1.00 1.00 H new ATOM 0 HA2 GLY A 26 75.588 6.759 -14.225 1.00 1.00 H new ATOM 0 HA3 GLY A 26 76.624 5.393 -13.865 1.00 1.00 H new ATOM 385 N PRO A 27 77.481 8.417 -14.531 1.00 1.00 N ATOM 386 CA PRO A 27 78.593 9.418 -14.558 1.00 1.00 C ATOM 387 C PRO A 27 79.600 9.188 -13.421 1.00 1.00 C ATOM 388 O PRO A 27 79.459 8.267 -12.641 1.00 1.00 O ATOM 389 CB PRO A 27 77.883 10.772 -14.398 1.00 1.00 C ATOM 390 CG PRO A 27 76.452 10.525 -14.745 1.00 1.00 C ATOM 391 CD PRO A 27 76.165 9.062 -14.410 1.00 1.00 C ATOM 0 HA PRO A 27 79.178 9.352 -15.476 1.00 1.00 H new ATOM 0 HB2 PRO A 27 77.979 11.146 -13.379 1.00 1.00 H new ATOM 0 HB3 PRO A 27 78.321 11.523 -15.056 1.00 1.00 H new ATOM 0 HG2 PRO A 27 75.797 11.187 -14.179 1.00 1.00 H new ATOM 0 HG3 PRO A 27 76.270 10.723 -15.801 1.00 1.00 H new ATOM 0 HD2 PRO A 27 75.756 8.953 -13.406 1.00 1.00 H new ATOM 0 HD3 PRO A 27 75.440 8.627 -15.098 1.00 1.00 H new ATOM 399 N PRO A 28 80.613 10.014 -13.331 1.00 1.00 N ATOM 400 CA PRO A 28 81.662 9.890 -12.272 1.00 1.00 C ATOM 401 C PRO A 28 81.061 9.824 -10.864 1.00 1.00 C ATOM 402 O PRO A 28 79.903 10.130 -10.658 1.00 1.00 O ATOM 403 CB PRO A 28 82.510 11.155 -12.442 1.00 1.00 C ATOM 404 CG PRO A 28 82.296 11.583 -13.856 1.00 1.00 C ATOM 405 CD PRO A 28 80.876 11.151 -14.228 1.00 1.00 C ATOM 0 HA PRO A 28 82.236 8.970 -12.378 1.00 1.00 H new ATOM 0 HB2 PRO A 28 82.201 11.933 -11.744 1.00 1.00 H new ATOM 0 HB3 PRO A 28 83.563 10.952 -12.247 1.00 1.00 H new ATOM 0 HG2 PRO A 28 82.413 12.662 -13.957 1.00 1.00 H new ATOM 0 HG3 PRO A 28 83.029 11.120 -14.517 1.00 1.00 H new ATOM 0 HD2 PRO A 28 80.159 11.957 -14.074 1.00 1.00 H new ATOM 0 HD3 PRO A 28 80.807 10.859 -15.276 1.00 1.00 H new ATOM 413 N LYS A 29 81.842 9.423 -9.895 1.00 1.00 N ATOM 414 CA LYS A 29 81.323 9.330 -8.498 1.00 1.00 C ATOM 415 C LYS A 29 82.327 9.963 -7.531 1.00 1.00 C ATOM 416 O LYS A 29 82.502 9.503 -6.420 1.00 1.00 O ATOM 417 CB LYS A 29 81.126 7.858 -8.130 1.00 1.00 C ATOM 418 CG LYS A 29 82.342 7.049 -8.587 1.00 1.00 C ATOM 419 CD LYS A 29 82.278 5.645 -7.983 1.00 1.00 C ATOM 420 CE LYS A 29 83.108 5.603 -6.699 1.00 1.00 C ATOM 421 NZ LYS A 29 82.875 6.849 -5.916 1.00 1.00 N ATOM 0 H LYS A 29 82.819 9.155 -10.011 1.00 1.00 H new ATOM 0 HA LYS A 29 80.372 9.859 -8.429 1.00 1.00 H new ATOM 0 HB2 LYS A 29 80.993 7.756 -7.053 1.00 1.00 H new ATOM 0 HB3 LYS A 29 80.222 7.472 -8.601 1.00 1.00 H new ATOM 0 HG2 LYS A 29 82.363 6.988 -9.675 1.00 1.00 H new ATOM 0 HG3 LYS A 29 83.261 7.548 -8.278 1.00 1.00 H new ATOM 0 HD2 LYS A 29 81.243 5.377 -7.769 1.00 1.00 H new ATOM 0 HD3 LYS A 29 82.656 4.913 -8.697 1.00 1.00 H new ATOM 0 HE2 LYS A 29 82.835 4.731 -6.105 1.00 1.00 H new ATOM 0 HE3 LYS A 29 84.166 5.505 -6.940 1.00 1.00 H new ATOM 0 HZ1 LYS A 29 83.465 6.836 -5.060 1.00 1.00 H new ATOM 0 HZ2 LYS A 29 83.125 7.675 -6.496 1.00 1.00 H new ATOM 0 HZ3 LYS A 29 81.873 6.906 -5.645 1.00 1.00 H new ATOM 435 N CYS A 30 82.986 11.015 -7.941 1.00 1.00 N ATOM 436 CA CYS A 30 83.975 11.676 -7.041 1.00 1.00 C ATOM 437 C CYS A 30 83.362 12.953 -6.461 1.00 1.00 C ATOM 438 O CYS A 30 83.534 14.032 -6.991 1.00 1.00 O ATOM 439 CB CYS A 30 85.234 12.032 -7.836 1.00 1.00 C ATOM 440 SG CYS A 30 86.312 13.076 -6.824 1.00 1.00 S ATOM 0 H CYS A 30 82.882 11.445 -8.860 1.00 1.00 H new ATOM 0 HA CYS A 30 84.238 10.996 -6.230 1.00 1.00 H new ATOM 0 HB2 CYS A 30 85.761 11.124 -8.129 1.00 1.00 H new ATOM 0 HB3 CYS A 30 84.962 12.553 -8.754 1.00 1.00 H new ATOM 445 N LYS A 31 82.648 12.836 -5.376 1.00 1.00 N ATOM 446 CA LYS A 31 82.022 14.041 -4.759 1.00 1.00 C ATOM 447 C LYS A 31 81.533 13.692 -3.351 1.00 1.00 C ATOM 448 O LYS A 31 82.268 13.156 -2.546 1.00 1.00 O ATOM 449 CB LYS A 31 80.840 14.503 -5.622 1.00 1.00 C ATOM 450 CG LYS A 31 79.881 13.333 -5.851 1.00 1.00 C ATOM 451 CD LYS A 31 79.042 13.597 -7.102 1.00 1.00 C ATOM 452 CE LYS A 31 78.276 14.911 -6.935 1.00 1.00 C ATOM 453 NZ LYS A 31 77.196 14.990 -7.959 1.00 1.00 N ATOM 0 H LYS A 31 82.470 11.958 -4.889 1.00 1.00 H new ATOM 0 HA LYS A 31 82.755 14.845 -4.697 1.00 1.00 H new ATOM 0 HB2 LYS A 31 80.317 15.324 -5.131 1.00 1.00 H new ATOM 0 HB3 LYS A 31 81.201 14.882 -6.578 1.00 1.00 H new ATOM 0 HG2 LYS A 31 80.443 12.406 -5.966 1.00 1.00 H new ATOM 0 HG3 LYS A 31 79.231 13.207 -4.985 1.00 1.00 H new ATOM 0 HD2 LYS A 31 79.686 13.648 -7.980 1.00 1.00 H new ATOM 0 HD3 LYS A 31 78.345 12.775 -7.265 1.00 1.00 H new ATOM 0 HE2 LYS A 31 77.848 14.970 -5.934 1.00 1.00 H new ATOM 0 HE3 LYS A 31 78.956 15.757 -7.042 1.00 1.00 H new ATOM 467 N GLN A 32 80.298 13.987 -3.048 1.00 1.00 N ATOM 468 CA GLN A 32 79.758 13.668 -1.694 1.00 1.00 C ATOM 469 C GLN A 32 80.475 14.508 -0.633 1.00 1.00 C ATOM 470 O GLN A 32 80.799 15.658 -0.849 1.00 1.00 O ATOM 471 CB GLN A 32 79.972 12.179 -1.393 1.00 1.00 C ATOM 472 CG GLN A 32 78.966 11.721 -0.336 1.00 1.00 C ATOM 473 CD GLN A 32 79.530 10.515 0.418 1.00 1.00 C ATOM 474 OE1 GLN A 32 80.381 9.811 -0.088 1.00 1.00 O ATOM 475 NE2 GLN A 32 79.089 10.246 1.617 1.00 1.00 N ATOM 0 H GLN A 32 79.637 14.437 -3.682 1.00 1.00 H new ATOM 0 HA GLN A 32 78.693 13.897 -1.674 1.00 1.00 H new ATOM 0 HB2 GLN A 32 79.851 11.592 -2.304 1.00 1.00 H new ATOM 0 HB3 GLN A 32 80.989 12.011 -1.039 1.00 1.00 H new ATOM 0 HG2 GLN A 32 78.759 12.534 0.360 1.00 1.00 H new ATOM 0 HG3 GLN A 32 78.020 11.457 -0.809 1.00 1.00 H new ATOM 0 HE21 GLN A 32 78.375 10.837 2.042 1.00 1.00 H new ATOM 0 HE22 GLN A 32 79.459 9.445 2.129 1.00 1.00 H new ATOM 484 N ARG A 33 80.717 13.935 0.517 1.00 1.00 N ATOM 485 CA ARG A 33 81.405 14.684 1.605 1.00 1.00 C ATOM 486 C ARG A 33 82.349 13.733 2.347 1.00 1.00 C ATOM 487 O ARG A 33 83.318 13.254 1.793 1.00 1.00 O ATOM 488 CB ARG A 33 80.354 15.234 2.576 1.00 1.00 C ATOM 489 CG ARG A 33 81.038 16.082 3.650 1.00 1.00 C ATOM 490 CD ARG A 33 80.142 17.268 4.013 1.00 1.00 C ATOM 491 NE ARG A 33 80.330 18.356 3.013 1.00 1.00 N ATOM 492 CZ ARG A 33 81.312 19.205 3.149 1.00 1.00 C ATOM 493 NH1 ARG A 33 82.130 19.100 4.160 1.00 1.00 N ATOM 494 NH2 ARG A 33 81.476 20.158 2.273 1.00 1.00 N ATOM 0 H ARG A 33 80.465 12.974 0.749 1.00 1.00 H new ATOM 0 HA ARG A 33 81.979 15.511 1.186 1.00 1.00 H new ATOM 0 HB2 ARG A 33 79.624 15.835 2.034 1.00 1.00 H new ATOM 0 HB3 ARG A 33 79.809 14.412 3.040 1.00 1.00 H new ATOM 0 HG2 ARG A 33 81.235 15.477 4.535 1.00 1.00 H new ATOM 0 HG3 ARG A 33 82.002 16.439 3.287 1.00 1.00 H new ATOM 0 HD2 ARG A 33 79.098 16.956 4.035 1.00 1.00 H new ATOM 0 HD3 ARG A 33 80.387 17.631 5.011 1.00 1.00 H new ATOM 0 HE ARG A 33 79.691 18.438 2.222 1.00 1.00 H new ATOM 0 HH11 ARG A 33 82.002 18.354 4.844 1.00 1.00 H new ATOM 0 HH12 ARG A 33 82.897 19.764 4.266 1.00 1.00 H new ATOM 0 HH21 ARG A 33 80.837 20.239 1.482 1.00 1.00 H new ATOM 0 HH22 ARG A 33 82.243 20.822 2.379 1.00 1.00 H new ATOM 508 N GLN A 34 82.069 13.447 3.591 1.00 1.00 N ATOM 509 CA GLN A 34 82.947 12.520 4.364 1.00 1.00 C ATOM 510 C GLN A 34 82.395 12.355 5.782 1.00 1.00 C ATOM 511 O GLN A 34 83.008 11.735 6.629 1.00 1.00 O ATOM 512 CB GLN A 34 84.377 13.077 4.431 1.00 1.00 C ATOM 513 CG GLN A 34 84.340 14.547 4.854 1.00 1.00 C ATOM 514 CD GLN A 34 84.455 14.643 6.377 1.00 1.00 C ATOM 515 OE1 GLN A 34 84.209 13.682 7.078 1.00 1.00 O ATOM 516 NE2 GLN A 34 84.822 15.771 6.921 1.00 1.00 N ATOM 0 H GLN A 34 81.269 13.816 4.106 1.00 1.00 H new ATOM 0 HA GLN A 34 82.967 11.552 3.864 1.00 1.00 H new ATOM 0 HB2 GLN A 34 84.969 12.499 5.141 1.00 1.00 H new ATOM 0 HB3 GLN A 34 84.861 12.981 3.459 1.00 1.00 H new ATOM 0 HG2 GLN A 34 85.157 15.093 4.382 1.00 1.00 H new ATOM 0 HG3 GLN A 34 83.412 15.010 4.519 1.00 1.00 H new ATOM 0 HE21 GLN A 34 85.029 16.578 6.332 1.00 1.00 H new ATOM 0 HE22 GLN A 34 84.902 15.846 7.935 1.00 1.00 H new ATOM 525 N THR A 35 81.238 12.900 6.049 1.00 1.00 N ATOM 526 CA THR A 35 80.649 12.768 7.412 1.00 1.00 C ATOM 527 C THR A 35 80.485 11.287 7.753 1.00 1.00 C ATOM 528 O THR A 35 80.393 10.910 8.904 1.00 1.00 O ATOM 529 CB THR A 35 79.282 13.452 7.448 1.00 1.00 C ATOM 530 OG1 THR A 35 78.466 12.823 8.426 1.00 1.00 O ATOM 531 CG2 THR A 35 78.616 13.339 6.076 1.00 1.00 C ATOM 0 H THR A 35 80.676 13.430 5.383 1.00 1.00 H new ATOM 0 HA THR A 35 81.310 13.240 8.140 1.00 1.00 H new ATOM 0 HB THR A 35 79.409 14.505 7.702 1.00 1.00 H new ATOM 0 HG1 THR A 35 77.590 13.261 8.452 1.00 1.00 H new ATOM 0 HG21 THR A 35 77.642 13.827 6.103 1.00 1.00 H new ATOM 0 HG22 THR A 35 79.243 13.822 5.326 1.00 1.00 H new ATOM 0 HG23 THR A 35 78.488 12.287 5.819 1.00 1.00 H new ATOM 539 N ARG A 36 80.455 10.446 6.755 1.00 1.00 N ATOM 540 CA ARG A 36 80.308 8.981 7.001 1.00 1.00 C ATOM 541 C ARG A 36 81.174 8.580 8.200 1.00 1.00 C ATOM 542 O ARG A 36 80.747 7.866 9.085 1.00 1.00 O ATOM 543 CB ARG A 36 80.768 8.226 5.747 1.00 1.00 C ATOM 544 CG ARG A 36 81.806 9.065 4.998 1.00 1.00 C ATOM 545 CD ARG A 36 82.712 8.144 4.179 1.00 1.00 C ATOM 546 NE ARG A 36 83.734 7.529 5.072 1.00 1.00 N ATOM 547 CZ ARG A 36 84.753 8.235 5.480 1.00 1.00 C ATOM 548 NH1 ARG A 36 84.877 9.479 5.105 1.00 1.00 N ATOM 549 NH2 ARG A 36 85.648 7.696 6.262 1.00 1.00 N ATOM 0 H ARG A 36 80.526 10.712 5.773 1.00 1.00 H new ATOM 0 HA ARG A 36 79.268 8.735 7.217 1.00 1.00 H new ATOM 0 HB2 ARG A 36 81.196 7.263 6.026 1.00 1.00 H new ATOM 0 HB3 ARG A 36 79.915 8.021 5.100 1.00 1.00 H new ATOM 0 HG2 ARG A 36 81.308 9.779 4.342 1.00 1.00 H new ATOM 0 HG3 ARG A 36 82.401 9.643 5.705 1.00 1.00 H new ATOM 0 HD2 ARG A 36 82.119 7.366 3.698 1.00 1.00 H new ATOM 0 HD3 ARG A 36 83.200 8.709 3.385 1.00 1.00 H new ATOM 0 HE ARG A 36 83.637 6.557 5.364 1.00 1.00 H new ATOM 0 HH11 ARG A 36 84.178 9.899 4.493 1.00 1.00 H new ATOM 0 HH12 ARG A 36 85.673 10.031 5.424 1.00 1.00 H new ATOM 0 HH21 ARG A 36 85.551 6.724 6.554 1.00 1.00 H new ATOM 0 HH22 ARG A 36 86.445 8.247 6.581 1.00 1.00 H new ATOM 563 N GLN A 37 82.383 9.059 8.234 1.00 1.00 N ATOM 564 CA GLN A 37 83.299 8.745 9.373 1.00 1.00 C ATOM 565 C GLN A 37 83.557 7.234 9.465 1.00 1.00 C ATOM 566 O GLN A 37 84.640 6.763 9.181 1.00 1.00 O ATOM 567 CB GLN A 37 82.664 9.243 10.682 1.00 1.00 C ATOM 568 CG GLN A 37 83.697 10.043 11.479 1.00 1.00 C ATOM 569 CD GLN A 37 84.922 9.168 11.750 1.00 1.00 C ATOM 570 OE1 GLN A 37 84.841 8.198 12.479 1.00 1.00 O ATOM 571 NE2 GLN A 37 86.061 9.470 11.191 1.00 1.00 N ATOM 0 H GLN A 37 82.784 9.662 7.516 1.00 1.00 H new ATOM 0 HA GLN A 37 84.253 9.246 9.207 1.00 1.00 H new ATOM 0 HB2 GLN A 37 81.796 9.865 10.464 1.00 1.00 H new ATOM 0 HB3 GLN A 37 82.310 8.397 11.271 1.00 1.00 H new ATOM 0 HG2 GLN A 37 83.989 10.934 10.924 1.00 1.00 H new ATOM 0 HG3 GLN A 37 83.263 10.381 12.420 1.00 1.00 H new ATOM 0 HE21 GLN A 37 86.129 10.284 10.580 1.00 1.00 H new ATOM 0 HE22 GLN A 37 86.884 8.893 11.365 1.00 1.00 H new ATOM 580 N CYS A 38 82.579 6.473 9.882 1.00 1.00 N ATOM 581 CA CYS A 38 82.779 5.000 10.018 1.00 1.00 C ATOM 582 C CYS A 38 83.899 4.735 11.028 1.00 1.00 C ATOM 583 O CYS A 38 84.404 5.641 11.661 1.00 1.00 O ATOM 584 CB CYS A 38 83.163 4.394 8.662 1.00 1.00 C ATOM 585 SG CYS A 38 82.660 5.515 7.333 1.00 1.00 S ATOM 0 H CYS A 38 81.649 6.809 10.134 1.00 1.00 H new ATOM 0 HA CYS A 38 81.852 4.542 10.363 1.00 1.00 H new ATOM 0 HB2 CYS A 38 84.239 4.223 8.620 1.00 1.00 H new ATOM 0 HB3 CYS A 38 82.681 3.424 8.536 1.00 1.00 H new ATOM 590 N LYS A 39 84.297 3.500 11.177 1.00 1.00 N ATOM 591 CA LYS A 39 85.391 3.179 12.137 1.00 1.00 C ATOM 592 C LYS A 39 85.019 3.679 13.536 1.00 1.00 C ATOM 593 O LYS A 39 85.786 3.566 14.471 1.00 1.00 O ATOM 594 CB LYS A 39 86.681 3.861 11.674 1.00 1.00 C ATOM 595 CG LYS A 39 87.886 3.174 12.320 1.00 1.00 C ATOM 596 CD LYS A 39 89.161 3.945 11.973 1.00 1.00 C ATOM 597 CE LYS A 39 89.630 3.552 10.571 1.00 1.00 C ATOM 598 NZ LYS A 39 88.805 4.264 9.554 1.00 1.00 N ATOM 0 H LYS A 39 83.912 2.700 10.675 1.00 1.00 H new ATOM 0 HA LYS A 39 85.538 2.100 12.173 1.00 1.00 H new ATOM 0 HB2 LYS A 39 86.761 3.812 10.588 1.00 1.00 H new ATOM 0 HB3 LYS A 39 86.663 4.917 11.945 1.00 1.00 H new ATOM 0 HG2 LYS A 39 87.757 3.132 13.402 1.00 1.00 H new ATOM 0 HG3 LYS A 39 87.963 2.145 11.968 1.00 1.00 H new ATOM 0 HD2 LYS A 39 88.973 5.018 12.018 1.00 1.00 H new ATOM 0 HD3 LYS A 39 89.940 3.727 12.703 1.00 1.00 H new ATOM 0 HE2 LYS A 39 90.682 3.805 10.443 1.00 1.00 H new ATOM 0 HE3 LYS A 39 89.543 2.474 10.436 1.00 1.00 H new ATOM 0 HZ1 LYS A 39 89.423 4.636 8.805 1.00 1.00 H new ATOM 0 HZ2 LYS A 39 88.118 3.602 9.140 1.00 1.00 H new ATOM 0 HZ3 LYS A 39 88.298 5.051 10.007 1.00 1.00 H new ATOM 612 N SER A 40 83.848 4.232 13.688 1.00 1.00 N ATOM 613 CA SER A 40 83.429 4.739 15.027 1.00 1.00 C ATOM 614 C SER A 40 83.773 3.702 16.100 1.00 1.00 C ATOM 615 O SER A 40 84.336 4.024 17.128 1.00 1.00 O ATOM 616 CB SER A 40 81.921 4.991 15.027 1.00 1.00 C ATOM 617 OG SER A 40 81.255 3.854 14.495 1.00 1.00 O ATOM 0 H SER A 40 83.162 4.355 12.943 1.00 1.00 H new ATOM 0 HA SER A 40 83.954 5.670 15.242 1.00 1.00 H new ATOM 0 HB2 SER A 40 81.574 5.189 16.041 1.00 1.00 H new ATOM 0 HB3 SER A 40 81.688 5.874 14.432 1.00 1.00 H new ATOM 0 HG SER A 40 80.288 4.012 14.495 1.00 1.00 H new ATOM 623 N LYS A 41 83.439 2.459 15.871 1.00 1.00 N ATOM 624 CA LYS A 41 83.745 1.400 16.878 1.00 1.00 C ATOM 625 C LYS A 41 84.232 0.139 16.155 1.00 1.00 C ATOM 626 O LYS A 41 83.865 -0.112 15.024 1.00 1.00 O ATOM 627 CB LYS A 41 82.475 1.078 17.669 1.00 1.00 C ATOM 628 CG LYS A 41 82.218 2.184 18.694 1.00 1.00 C ATOM 629 CD LYS A 41 80.803 2.038 19.259 1.00 1.00 C ATOM 630 CE LYS A 41 80.418 3.315 20.009 1.00 1.00 C ATOM 631 NZ LYS A 41 81.470 3.637 21.014 1.00 1.00 N ATOM 0 H LYS A 41 82.967 2.131 15.029 1.00 1.00 H new ATOM 0 HA LYS A 41 84.521 1.750 17.559 1.00 1.00 H new ATOM 0 HB2 LYS A 41 81.625 0.990 16.992 1.00 1.00 H new ATOM 0 HB3 LYS A 41 82.582 0.118 18.173 1.00 1.00 H new ATOM 0 HG2 LYS A 41 82.950 2.125 19.499 1.00 1.00 H new ATOM 0 HG3 LYS A 41 82.335 3.162 18.227 1.00 1.00 H new ATOM 0 HD2 LYS A 41 80.095 1.851 18.452 1.00 1.00 H new ATOM 0 HD3 LYS A 41 80.755 1.181 19.931 1.00 1.00 H new ATOM 0 HE2 LYS A 41 80.305 4.142 19.307 1.00 1.00 H new ATOM 0 HE3 LYS A 41 79.456 3.183 20.504 1.00 1.00 H new ATOM 0 HZ1 LYS A 41 81.092 4.313 21.708 1.00 1.00 H new ATOM 0 HZ2 LYS A 41 81.761 2.766 21.503 1.00 1.00 H new ATOM 0 HZ3 LYS A 41 82.292 4.056 20.534 1.00 1.00 H new ATOM 645 N PRO A 42 85.052 -0.651 16.802 1.00 1.00 N ATOM 646 CA PRO A 42 85.593 -1.908 16.204 1.00 1.00 C ATOM 647 C PRO A 42 84.487 -2.943 15.952 1.00 1.00 C ATOM 648 O PRO A 42 83.457 -2.924 16.597 1.00 1.00 O ATOM 649 CB PRO A 42 86.589 -2.422 17.253 1.00 1.00 C ATOM 650 CG PRO A 42 86.181 -1.780 18.537 1.00 1.00 C ATOM 651 CD PRO A 42 85.548 -0.437 18.170 1.00 1.00 C ATOM 0 HA PRO A 42 86.052 -1.731 15.231 1.00 1.00 H new ATOM 0 HB2 PRO A 42 86.553 -3.509 17.329 1.00 1.00 H new ATOM 0 HB3 PRO A 42 87.612 -2.154 16.988 1.00 1.00 H new ATOM 0 HG2 PRO A 42 85.472 -2.408 19.077 1.00 1.00 H new ATOM 0 HG3 PRO A 42 87.042 -1.637 19.190 1.00 1.00 H new ATOM 0 HD2 PRO A 42 84.740 -0.175 18.853 1.00 1.00 H new ATOM 0 HD3 PRO A 42 86.276 0.374 18.211 1.00 1.00 H new ATOM 659 N PRO A 43 84.697 -3.837 15.020 1.00 1.00 N ATOM 660 CA PRO A 43 83.699 -4.892 14.680 1.00 1.00 C ATOM 661 C PRO A 43 83.660 -6.016 15.721 1.00 1.00 C ATOM 662 O PRO A 43 84.675 -6.579 16.080 1.00 1.00 O ATOM 663 CB PRO A 43 84.191 -5.425 13.333 1.00 1.00 C ATOM 664 CG PRO A 43 85.667 -5.202 13.349 1.00 1.00 C ATOM 665 CD PRO A 43 85.908 -3.944 14.189 1.00 1.00 C ATOM 0 HA PRO A 43 82.683 -4.498 14.652 1.00 1.00 H new ATOM 0 HB2 PRO A 43 83.952 -6.482 13.215 1.00 1.00 H new ATOM 0 HB3 PRO A 43 83.720 -4.897 12.503 1.00 1.00 H new ATOM 0 HG2 PRO A 43 86.184 -6.060 13.778 1.00 1.00 H new ATOM 0 HG3 PRO A 43 86.051 -5.072 12.337 1.00 1.00 H new ATOM 0 HD2 PRO A 43 86.805 -4.038 14.801 1.00 1.00 H new ATOM 0 HD3 PRO A 43 86.041 -3.063 13.561 1.00 1.00 H new ATOM 673 N LYS A 44 82.493 -6.351 16.201 1.00 1.00 N ATOM 674 CA LYS A 44 82.386 -7.442 17.209 1.00 1.00 C ATOM 675 C LYS A 44 82.430 -8.793 16.493 1.00 1.00 C ATOM 676 O LYS A 44 82.761 -9.807 17.075 1.00 1.00 O ATOM 677 CB LYS A 44 81.065 -7.309 17.969 1.00 1.00 C ATOM 678 CG LYS A 44 79.917 -7.133 16.973 1.00 1.00 C ATOM 679 CD LYS A 44 78.580 -7.281 17.702 1.00 1.00 C ATOM 680 CE LYS A 44 78.411 -6.133 18.698 1.00 1.00 C ATOM 681 NZ LYS A 44 76.974 -6.006 19.070 1.00 1.00 N ATOM 0 H LYS A 44 81.609 -5.915 15.938 1.00 1.00 H new ATOM 0 HA LYS A 44 83.215 -7.373 17.913 1.00 1.00 H new ATOM 0 HB2 LYS A 44 80.896 -8.194 18.582 1.00 1.00 H new ATOM 0 HB3 LYS A 44 81.107 -6.456 18.646 1.00 1.00 H new ATOM 0 HG2 LYS A 44 79.979 -6.153 16.500 1.00 1.00 H new ATOM 0 HG3 LYS A 44 79.994 -7.875 16.179 1.00 1.00 H new ATOM 0 HD2 LYS A 44 77.760 -7.277 16.984 1.00 1.00 H new ATOM 0 HD3 LYS A 44 78.542 -8.237 18.224 1.00 1.00 H new ATOM 0 HE2 LYS A 44 79.013 -6.318 19.588 1.00 1.00 H new ATOM 0 HE3 LYS A 44 78.768 -5.201 18.259 1.00 1.00 H new ATOM 0 HZ1 LYS A 44 76.858 -5.225 19.747 1.00 1.00 H new ATOM 0 HZ2 LYS A 44 76.411 -5.811 18.218 1.00 1.00 H new ATOM 0 HZ3 LYS A 44 76.648 -6.893 19.505 1.00 1.00 H new ATOM 695 N LYS A 45 82.098 -8.811 15.230 1.00 1.00 N ATOM 696 CA LYS A 45 82.118 -10.092 14.467 1.00 1.00 C ATOM 697 C LYS A 45 83.523 -10.326 13.905 1.00 1.00 C ATOM 698 O LYS A 45 84.269 -11.148 14.399 1.00 1.00 O ATOM 699 CB LYS A 45 81.114 -10.008 13.313 1.00 1.00 C ATOM 700 CG LYS A 45 80.912 -11.397 12.705 1.00 1.00 C ATOM 701 CD LYS A 45 79.821 -12.140 13.478 1.00 1.00 C ATOM 702 CE LYS A 45 78.451 -11.788 12.894 1.00 1.00 C ATOM 703 NZ LYS A 45 78.403 -12.194 11.461 1.00 1.00 N ATOM 0 H LYS A 45 81.813 -7.992 14.693 1.00 1.00 H new ATOM 0 HA LYS A 45 81.848 -10.917 15.127 1.00 1.00 H new ATOM 0 HB2 LYS A 45 80.163 -9.616 13.673 1.00 1.00 H new ATOM 0 HB3 LYS A 45 81.476 -9.316 12.552 1.00 1.00 H new ATOM 0 HG2 LYS A 45 80.632 -11.309 11.655 1.00 1.00 H new ATOM 0 HG3 LYS A 45 81.845 -11.960 12.740 1.00 1.00 H new ATOM 0 HD2 LYS A 45 79.987 -13.216 13.419 1.00 1.00 H new ATOM 0 HD3 LYS A 45 79.859 -11.869 14.533 1.00 1.00 H new ATOM 0 HE2 LYS A 45 77.664 -12.295 13.453 1.00 1.00 H new ATOM 0 HE3 LYS A 45 78.269 -10.717 12.986 1.00 1.00 H new ATOM 0 HZ1 LYS A 45 77.440 -12.505 11.220 1.00 1.00 H new ATOM 0 HZ2 LYS A 45 78.665 -11.385 10.862 1.00 1.00 H new ATOM 0 HZ3 LYS A 45 79.070 -12.975 11.299 1.00 1.00 H new ATOM 717 N GLY A 46 83.890 -9.609 12.876 1.00 1.00 N ATOM 718 CA GLY A 46 85.248 -9.789 12.281 1.00 1.00 C ATOM 719 C GLY A 46 85.161 -9.658 10.759 1.00 1.00 C ATOM 720 O GLY A 46 86.037 -10.094 10.038 1.00 1.00 O ATOM 0 H GLY A 46 83.308 -8.906 12.421 1.00 1.00 H new ATOM 0 HA2 GLY A 46 85.934 -9.043 12.682 1.00 1.00 H new ATOM 0 HA3 GLY A 46 85.648 -10.767 12.550 1.00 1.00 H new ATOM 724 N VAL A 47 84.110 -9.062 10.264 1.00 1.00 N ATOM 725 CA VAL A 47 83.966 -8.904 8.788 1.00 1.00 C ATOM 726 C VAL A 47 84.273 -10.237 8.099 1.00 1.00 C ATOM 727 O VAL A 47 84.529 -10.290 6.912 1.00 1.00 O ATOM 728 CB VAL A 47 84.942 -7.830 8.295 1.00 1.00 C ATOM 729 CG1 VAL A 47 84.447 -7.262 6.964 1.00 1.00 C ATOM 730 CG2 VAL A 47 85.025 -6.705 9.329 1.00 1.00 C ATOM 0 H VAL A 47 83.345 -8.678 10.818 1.00 1.00 H new ATOM 0 HA VAL A 47 82.946 -8.603 8.550 1.00 1.00 H new ATOM 0 HB VAL A 47 85.929 -8.272 8.157 1.00 1.00 H new ATOM 0 HG11 VAL A 47 85.141 -6.498 6.614 1.00 1.00 H new ATOM 0 HG12 VAL A 47 84.386 -8.063 6.227 1.00 1.00 H new ATOM 0 HG13 VAL A 47 83.460 -6.820 7.102 1.00 1.00 H new ATOM 0 HG21 VAL A 47 85.719 -5.940 8.980 1.00 1.00 H new ATOM 0 HG22 VAL A 47 84.038 -6.264 9.467 1.00 1.00 H new ATOM 0 HG23 VAL A 47 85.378 -7.109 10.278 1.00 1.00 H new ATOM 740 N GLN A 48 84.251 -11.316 8.835 1.00 1.00 N ATOM 741 CA GLN A 48 84.542 -12.644 8.224 1.00 1.00 C ATOM 742 C GLN A 48 83.641 -12.855 7.004 1.00 1.00 C ATOM 743 O GLN A 48 84.036 -13.457 6.026 1.00 1.00 O ATOM 744 CB GLN A 48 84.278 -13.746 9.256 1.00 1.00 C ATOM 745 CG GLN A 48 85.099 -14.987 8.900 1.00 1.00 C ATOM 746 CD GLN A 48 84.676 -15.502 7.523 1.00 1.00 C ATOM 747 OE1 GLN A 48 85.367 -15.295 6.546 1.00 1.00 O ATOM 748 NE2 GLN A 48 83.561 -16.170 7.405 1.00 1.00 N ATOM 0 H GLN A 48 84.044 -11.334 9.834 1.00 1.00 H new ATOM 0 HA GLN A 48 85.585 -12.681 7.911 1.00 1.00 H new ATOM 0 HB2 GLN A 48 84.543 -13.396 10.254 1.00 1.00 H new ATOM 0 HB3 GLN A 48 83.217 -13.993 9.276 1.00 1.00 H new ATOM 0 HG2 GLN A 48 86.162 -14.745 8.899 1.00 1.00 H new ATOM 0 HG3 GLN A 48 84.950 -15.762 9.651 1.00 1.00 H new ATOM 0 HE21 GLN A 48 82.981 -16.344 8.226 1.00 1.00 H new ATOM 0 HE22 GLN A 48 83.270 -16.519 6.492 1.00 1.00 H new ATOM 757 N GLY A 49 82.430 -12.366 7.053 1.00 1.00 N ATOM 758 CA GLY A 49 81.505 -12.541 5.896 1.00 1.00 C ATOM 759 C GLY A 49 80.575 -11.330 5.798 1.00 1.00 C ATOM 760 O GLY A 49 80.174 -10.929 4.724 1.00 1.00 O ATOM 0 H GLY A 49 82.042 -11.853 7.845 1.00 1.00 H new ATOM 0 HA2 GLY A 49 82.076 -12.650 4.974 1.00 1.00 H new ATOM 0 HA3 GLY A 49 80.920 -13.453 6.019 1.00 1.00 H new ATOM 764 N CYS A 50 80.232 -10.744 6.912 1.00 1.00 N ATOM 765 CA CYS A 50 79.331 -9.557 6.886 1.00 1.00 C ATOM 766 C CYS A 50 79.591 -8.699 8.126 1.00 1.00 C ATOM 767 O CYS A 50 78.852 -8.742 9.090 1.00 1.00 O ATOM 768 CB CYS A 50 77.870 -10.024 6.878 1.00 1.00 C ATOM 769 SG CYS A 50 77.258 -10.063 5.175 1.00 1.00 S ATOM 0 H CYS A 50 80.537 -11.036 7.840 1.00 1.00 H new ATOM 0 HA CYS A 50 79.525 -8.968 5.989 1.00 1.00 H new ATOM 0 HB2 CYS A 50 77.791 -11.014 7.327 1.00 1.00 H new ATOM 0 HB3 CYS A 50 77.259 -9.352 7.480 1.00 1.00 H new ATOM 774 N GLY A 51 80.638 -7.921 8.109 1.00 1.00 N ATOM 775 CA GLY A 51 80.949 -7.063 9.285 1.00 1.00 C ATOM 776 C GLY A 51 79.717 -6.239 9.658 1.00 1.00 C ATOM 777 O GLY A 51 79.534 -5.132 9.192 1.00 1.00 O ATOM 0 H GLY A 51 81.292 -7.843 7.330 1.00 1.00 H new ATOM 0 HA2 GLY A 51 81.254 -7.682 10.129 1.00 1.00 H new ATOM 0 HA3 GLY A 51 81.785 -6.402 9.055 1.00 1.00 H new ATOM 781 N ASP A 52 78.869 -6.768 10.497 1.00 1.00 N ATOM 782 CA ASP A 52 77.652 -6.011 10.901 1.00 1.00 C ATOM 783 C ASP A 52 78.066 -4.644 11.449 1.00 1.00 C ATOM 784 O ASP A 52 77.726 -3.620 10.893 1.00 1.00 O ATOM 785 CB ASP A 52 76.902 -6.791 11.982 1.00 1.00 C ATOM 786 CG ASP A 52 76.343 -8.083 11.384 1.00 1.00 C ATOM 787 OD1 ASP A 52 75.244 -8.041 10.855 1.00 1.00 O ATOM 788 OD2 ASP A 52 77.023 -9.093 11.464 1.00 1.00 O ATOM 0 H ASP A 52 78.967 -7.691 10.920 1.00 1.00 H new ATOM 0 HA ASP A 52 77.001 -5.875 10.037 1.00 1.00 H new ATOM 0 HB2 ASP A 52 77.572 -7.021 12.810 1.00 1.00 H new ATOM 0 HB3 ASP A 52 76.092 -6.185 12.387 1.00 1.00 H new ATOM 793 N ASP A 53 78.803 -4.632 12.534 1.00 1.00 N ATOM 794 CA ASP A 53 79.266 -3.345 13.148 1.00 1.00 C ATOM 795 C ASP A 53 78.354 -2.186 12.732 1.00 1.00 C ATOM 796 O ASP A 53 78.515 -1.604 11.679 1.00 1.00 O ATOM 797 CB ASP A 53 80.708 -3.060 12.708 1.00 1.00 C ATOM 798 CG ASP A 53 80.725 -2.648 11.235 1.00 1.00 C ATOM 799 OD1 ASP A 53 79.968 -3.225 10.470 1.00 1.00 O ATOM 800 OD2 ASP A 53 81.493 -1.763 10.896 1.00 1.00 O ATOM 0 H ASP A 53 79.108 -5.471 13.028 1.00 1.00 H new ATOM 0 HA ASP A 53 79.226 -3.439 14.233 1.00 1.00 H new ATOM 0 HB2 ASP A 53 81.136 -2.268 13.322 1.00 1.00 H new ATOM 0 HB3 ASP A 53 81.325 -3.946 12.855 1.00 1.00 H new ATOM 805 N ILE A 54 77.399 -1.842 13.555 1.00 1.00 N ATOM 806 CA ILE A 54 76.477 -0.721 13.206 1.00 1.00 C ATOM 807 C ILE A 54 77.298 0.456 12.663 1.00 1.00 C ATOM 808 O ILE A 54 77.946 1.160 13.413 1.00 1.00 O ATOM 809 CB ILE A 54 75.724 -0.275 14.464 1.00 1.00 C ATOM 810 CG1 ILE A 54 75.239 -1.508 15.230 1.00 1.00 C ATOM 811 CG2 ILE A 54 74.521 0.580 14.063 1.00 1.00 C ATOM 812 CD1 ILE A 54 74.344 -1.069 16.390 1.00 1.00 C ATOM 0 H ILE A 54 77.217 -2.289 14.454 1.00 1.00 H new ATOM 0 HA ILE A 54 75.764 -1.052 12.451 1.00 1.00 H new ATOM 0 HB ILE A 54 76.390 0.310 15.098 1.00 1.00 H new ATOM 0 HG12 ILE A 54 74.688 -2.171 14.562 1.00 1.00 H new ATOM 0 HG13 ILE A 54 76.091 -2.073 15.608 1.00 1.00 H new ATOM 0 HG21 ILE A 54 73.986 0.897 14.958 1.00 1.00 H new ATOM 0 HG22 ILE A 54 74.865 1.458 13.516 1.00 1.00 H new ATOM 0 HG23 ILE A 54 73.854 -0.005 13.429 1.00 1.00 H new ATOM 0 HD11 ILE A 54 73.999 -1.947 16.936 1.00 1.00 H new ATOM 0 HD12 ILE A 54 74.910 -0.424 17.062 1.00 1.00 H new ATOM 0 HD13 ILE A 54 73.485 -0.523 16.000 1.00 1.00 H new ATOM 824 N PRO A 55 77.287 0.665 11.367 1.00 1.00 N ATOM 825 CA PRO A 55 78.055 1.765 10.725 1.00 1.00 C ATOM 826 C PRO A 55 77.276 3.083 10.693 1.00 1.00 C ATOM 827 O PRO A 55 76.129 3.150 11.089 1.00 1.00 O ATOM 828 CB PRO A 55 78.274 1.238 9.309 1.00 1.00 C ATOM 829 CG PRO A 55 77.060 0.415 9.021 1.00 1.00 C ATOM 830 CD PRO A 55 76.550 -0.123 10.365 1.00 1.00 C ATOM 0 HA PRO A 55 78.974 1.998 11.263 1.00 1.00 H new ATOM 0 HB2 PRO A 55 78.378 2.054 8.594 1.00 1.00 H new ATOM 0 HB3 PRO A 55 79.183 0.640 9.245 1.00 1.00 H new ATOM 0 HG2 PRO A 55 76.294 1.017 8.531 1.00 1.00 H new ATOM 0 HG3 PRO A 55 77.302 -0.405 8.345 1.00 1.00 H new ATOM 0 HD2 PRO A 55 75.473 0.011 10.466 1.00 1.00 H new ATOM 0 HD3 PRO A 55 76.750 -1.189 10.470 1.00 1.00 H new ATOM 838 N GLY A 56 77.892 4.129 10.215 1.00 1.00 N ATOM 839 CA GLY A 56 77.196 5.445 10.145 1.00 1.00 C ATOM 840 C GLY A 56 76.452 5.716 11.454 1.00 1.00 C ATOM 841 O GLY A 56 75.531 6.508 11.499 1.00 1.00 O ATOM 0 H GLY A 56 78.851 4.129 9.868 1.00 1.00 H new ATOM 0 HA2 GLY A 56 77.920 6.238 9.958 1.00 1.00 H new ATOM 0 HA3 GLY A 56 76.494 5.450 9.311 1.00 1.00 H new ATOM 845 N MET A 57 76.840 5.073 12.522 1.00 1.00 N ATOM 846 CA MET A 57 76.147 5.309 13.820 1.00 1.00 C ATOM 847 C MET A 57 76.029 6.817 14.057 1.00 1.00 C ATOM 848 O MET A 57 75.270 7.269 14.890 1.00 1.00 O ATOM 849 CB MET A 57 76.952 4.671 14.956 1.00 1.00 C ATOM 850 CG MET A 57 76.098 4.624 16.225 1.00 1.00 C ATOM 851 SD MET A 57 74.735 3.457 15.991 1.00 1.00 S ATOM 852 CE MET A 57 73.533 4.297 17.053 1.00 1.00 C ATOM 0 H MET A 57 77.604 4.397 12.552 1.00 1.00 H new ATOM 0 HA MET A 57 75.153 4.863 13.792 1.00 1.00 H new ATOM 0 HB2 MET A 57 77.261 3.664 14.676 1.00 1.00 H new ATOM 0 HB3 MET A 57 77.861 5.244 15.138 1.00 1.00 H new ATOM 0 HG2 MET A 57 76.708 4.321 17.076 1.00 1.00 H new ATOM 0 HG3 MET A 57 75.707 5.616 16.450 1.00 1.00 H new ATOM 0 HE1 MET A 57 72.597 3.738 17.057 1.00 1.00 H new ATOM 0 HE2 MET A 57 73.924 4.357 18.069 1.00 1.00 H new ATOM 0 HE3 MET A 57 73.353 5.303 16.674 1.00 1.00 H new ATOM 862 N GLU A 58 76.776 7.596 13.321 1.00 1.00 N ATOM 863 CA GLU A 58 76.714 9.077 13.488 1.00 1.00 C ATOM 864 C GLU A 58 76.768 9.740 12.111 1.00 1.00 C ATOM 865 O GLU A 58 76.368 10.875 11.941 1.00 1.00 O ATOM 866 CB GLU A 58 77.905 9.547 14.326 1.00 1.00 C ATOM 867 CG GLU A 58 77.986 8.718 15.609 1.00 1.00 C ATOM 868 CD GLU A 58 79.037 9.322 16.543 1.00 1.00 C ATOM 869 OE1 GLU A 58 79.432 10.452 16.305 1.00 1.00 O ATOM 870 OE2 GLU A 58 79.428 8.646 17.479 1.00 1.00 O ATOM 0 H GLU A 58 77.429 7.269 12.609 1.00 1.00 H new ATOM 0 HA GLU A 58 75.787 9.350 13.992 1.00 1.00 H new ATOM 0 HB2 GLU A 58 78.828 9.444 13.755 1.00 1.00 H new ATOM 0 HB3 GLU A 58 77.797 10.604 14.570 1.00 1.00 H new ATOM 0 HG2 GLU A 58 77.015 8.697 16.103 1.00 1.00 H new ATOM 0 HG3 GLU A 58 78.245 7.686 15.372 1.00 1.00 H new ATOM 877 N GLY A 59 77.261 9.038 11.125 1.00 1.00 N ATOM 878 CA GLY A 59 77.345 9.621 9.754 1.00 1.00 C ATOM 879 C GLY A 59 76.175 9.111 8.910 1.00 1.00 C ATOM 880 O GLY A 59 75.321 9.869 8.495 1.00 1.00 O ATOM 0 H GLY A 59 77.610 8.083 11.211 1.00 1.00 H new ATOM 0 HA2 GLY A 59 77.321 10.709 9.808 1.00 1.00 H new ATOM 0 HA3 GLY A 59 78.291 9.346 9.288 1.00 1.00 H new ATOM 884 N CYS A 60 76.134 7.830 8.651 1.00 1.00 N ATOM 885 CA CYS A 60 75.024 7.262 7.831 1.00 1.00 C ATOM 886 C CYS A 60 74.029 6.546 8.749 1.00 1.00 C ATOM 887 O CYS A 60 73.844 6.920 9.890 1.00 1.00 O ATOM 888 CB CYS A 60 75.601 6.268 6.814 1.00 1.00 C ATOM 889 SG CYS A 60 77.385 6.533 6.658 1.00 1.00 S ATOM 0 H CYS A 60 76.824 7.151 8.973 1.00 1.00 H new ATOM 0 HA CYS A 60 74.511 8.064 7.300 1.00 1.00 H new ATOM 0 HB2 CYS A 60 75.401 5.246 7.135 1.00 1.00 H new ATOM 0 HB3 CYS A 60 75.117 6.399 5.846 1.00 1.00 H new ATOM 894 N GLY A 61 73.387 5.519 8.263 1.00 1.00 N ATOM 895 CA GLY A 61 72.408 4.784 9.113 1.00 1.00 C ATOM 896 C GLY A 61 71.693 3.729 8.275 1.00 1.00 C ATOM 897 O GLY A 61 72.069 2.573 8.262 1.00 1.00 O ATOM 0 H GLY A 61 73.498 5.158 7.316 1.00 1.00 H new ATOM 0 HA2 GLY A 61 72.921 4.311 9.950 1.00 1.00 H new ATOM 0 HA3 GLY A 61 71.683 5.480 9.535 1.00 1.00 H new ATOM 901 N THR A 62 70.658 4.116 7.577 1.00 1.00 N ATOM 902 CA THR A 62 69.913 3.132 6.742 1.00 1.00 C ATOM 903 C THR A 62 69.576 3.750 5.386 1.00 1.00 C ATOM 904 O THR A 62 70.448 4.133 4.632 1.00 1.00 O ATOM 905 CB THR A 62 68.618 2.734 7.454 1.00 1.00 C ATOM 906 OG1 THR A 62 67.742 3.851 7.498 1.00 1.00 O ATOM 907 CG2 THR A 62 68.936 2.276 8.878 1.00 1.00 C ATOM 0 H THR A 62 70.298 5.070 7.550 1.00 1.00 H new ATOM 0 HA THR A 62 70.535 2.249 6.591 1.00 1.00 H new ATOM 0 HB THR A 62 68.140 1.918 6.911 1.00 1.00 H new ATOM 0 HG1 THR A 62 66.911 3.598 7.952 1.00 1.00 H new ATOM 0 HG21 THR A 62 68.013 1.993 9.384 1.00 1.00 H new ATOM 0 HG22 THR A 62 69.608 1.419 8.843 1.00 1.00 H new ATOM 0 HG23 THR A 62 69.414 3.090 9.424 1.00 1.00 H new ATOM 915 N ASP A 63 68.316 3.846 5.070 1.00 1.00 N ATOM 916 CA ASP A 63 67.919 4.435 3.761 1.00 1.00 C ATOM 917 C ASP A 63 68.567 5.810 3.619 1.00 1.00 C ATOM 918 O ASP A 63 69.117 6.149 2.590 1.00 1.00 O ATOM 919 CB ASP A 63 66.396 4.577 3.703 1.00 1.00 C ATOM 920 CG ASP A 63 65.744 3.303 4.243 1.00 1.00 C ATOM 921 OD1 ASP A 63 66.439 2.306 4.353 1.00 1.00 O ATOM 922 OD2 ASP A 63 64.560 3.345 4.536 1.00 1.00 O ATOM 0 H ASP A 63 67.543 3.542 5.662 1.00 1.00 H new ATOM 0 HA ASP A 63 68.249 3.786 2.949 1.00 1.00 H new ATOM 0 HB2 ASP A 63 66.078 5.438 4.290 1.00 1.00 H new ATOM 0 HB3 ASP A 63 66.076 4.755 2.677 1.00 1.00 H new ATOM 927 N ILE A 64 68.510 6.601 4.652 1.00 1.00 N ATOM 928 CA ILE A 64 69.125 7.953 4.596 1.00 1.00 C ATOM 929 C ILE A 64 69.020 8.602 5.974 1.00 1.00 C ATOM 930 O ILE A 64 68.620 9.740 6.106 1.00 1.00 O ATOM 931 CB ILE A 64 68.396 8.810 3.552 1.00 1.00 C ATOM 932 CG1 ILE A 64 68.895 10.254 3.642 1.00 1.00 C ATOM 933 CG2 ILE A 64 66.891 8.774 3.822 1.00 1.00 C ATOM 934 CD1 ILE A 64 68.895 10.882 2.247 1.00 1.00 C ATOM 0 H ILE A 64 68.061 6.367 5.537 1.00 1.00 H new ATOM 0 HA ILE A 64 70.174 7.872 4.311 1.00 1.00 H new ATOM 0 HB ILE A 64 68.595 8.416 2.555 1.00 1.00 H new ATOM 0 HG12 ILE A 64 68.256 10.830 4.312 1.00 1.00 H new ATOM 0 HG13 ILE A 64 69.900 10.277 4.063 1.00 1.00 H new ATOM 0 HG21 ILE A 64 66.374 9.383 3.080 1.00 1.00 H new ATOM 0 HG22 ILE A 64 66.535 7.746 3.760 1.00 1.00 H new ATOM 0 HG23 ILE A 64 66.691 9.168 4.818 1.00 1.00 H new ATOM 0 HD11 ILE A 64 69.250 11.910 2.311 1.00 1.00 H new ATOM 0 HD12 ILE A 64 69.552 10.311 1.591 1.00 1.00 H new ATOM 0 HD13 ILE A 64 67.882 10.872 1.844 1.00 1.00 H new ATOM 946 N THR A 65 69.381 7.889 7.012 1.00 1.00 N ATOM 947 CA THR A 65 69.303 8.489 8.377 1.00 1.00 C ATOM 948 C THR A 65 69.844 9.914 8.315 1.00 1.00 C ATOM 949 O THR A 65 69.546 10.747 9.147 1.00 1.00 O ATOM 950 CB THR A 65 70.156 7.678 9.349 1.00 1.00 C ATOM 951 OG1 THR A 65 69.632 6.362 9.450 1.00 1.00 O ATOM 952 CG2 THR A 65 70.138 8.344 10.726 1.00 1.00 C ATOM 0 H THR A 65 69.722 6.929 6.974 1.00 1.00 H new ATOM 0 HA THR A 65 68.268 8.488 8.718 1.00 1.00 H new ATOM 0 HB THR A 65 71.182 7.634 8.984 1.00 1.00 H new ATOM 0 HG1 THR A 65 69.676 6.063 10.382 1.00 1.00 H new ATOM 0 HG21 THR A 65 70.747 7.764 11.419 1.00 1.00 H new ATOM 0 HG22 THR A 65 70.540 9.354 10.647 1.00 1.00 H new ATOM 0 HG23 THR A 65 69.113 8.390 11.095 1.00 1.00 H new ATOM 960 N VAL A 66 70.635 10.192 7.317 1.00 1.00 N ATOM 961 CA VAL A 66 71.207 11.552 7.162 1.00 1.00 C ATOM 962 C VAL A 66 71.244 11.901 5.676 1.00 1.00 C ATOM 963 O VAL A 66 70.323 12.485 5.142 1.00 1.00 O ATOM 964 CB VAL A 66 72.628 11.577 7.733 1.00 1.00 C ATOM 965 CG1 VAL A 66 73.227 12.973 7.553 1.00 1.00 C ATOM 966 CG2 VAL A 66 72.584 11.230 9.223 1.00 1.00 C ATOM 0 H VAL A 66 70.911 9.525 6.596 1.00 1.00 H new ATOM 0 HA VAL A 66 70.595 12.278 7.698 1.00 1.00 H new ATOM 0 HB VAL A 66 73.244 10.847 7.207 1.00 1.00 H new ATOM 0 HG11 VAL A 66 74.238 12.990 7.960 1.00 1.00 H new ATOM 0 HG12 VAL A 66 73.258 13.222 6.492 1.00 1.00 H new ATOM 0 HG13 VAL A 66 72.612 13.703 8.079 1.00 1.00 H new ATOM 0 HG21 VAL A 66 73.595 11.247 9.631 1.00 1.00 H new ATOM 0 HG22 VAL A 66 71.968 11.960 9.749 1.00 1.00 H new ATOM 0 HG23 VAL A 66 72.158 10.235 9.352 1.00 1.00 H new ATOM 976 N ILE A 67 72.301 11.537 5.003 1.00 1.00 N ATOM 977 CA ILE A 67 72.407 11.835 3.545 1.00 1.00 C ATOM 978 C ILE A 67 72.981 10.622 2.812 1.00 1.00 C ATOM 979 O ILE A 67 74.181 10.472 2.700 1.00 1.00 O ATOM 980 CB ILE A 67 73.328 13.042 3.333 1.00 1.00 C ATOM 981 CG1 ILE A 67 72.627 14.309 3.827 1.00 1.00 C ATOM 982 CG2 ILE A 67 73.648 13.186 1.844 1.00 1.00 C ATOM 983 CD1 ILE A 67 71.354 14.540 3.011 1.00 1.00 C ATOM 0 H ILE A 67 73.100 11.044 5.402 1.00 1.00 H new ATOM 0 HA ILE A 67 71.416 12.060 3.151 1.00 1.00 H new ATOM 0 HB ILE A 67 74.253 12.895 3.891 1.00 1.00 H new ATOM 0 HG12 ILE A 67 72.381 14.212 4.884 1.00 1.00 H new ATOM 0 HG13 ILE A 67 73.293 15.166 3.732 1.00 1.00 H new ATOM 0 HG21 ILE A 67 74.303 14.044 1.694 1.00 1.00 H new ATOM 0 HG22 ILE A 67 74.146 12.283 1.490 1.00 1.00 H new ATOM 0 HG23 ILE A 67 72.723 13.333 1.286 1.00 1.00 H new ATOM 0 HD11 ILE A 67 70.855 15.443 3.363 1.00 1.00 H new ATOM 0 HD12 ILE A 67 71.612 14.655 1.958 1.00 1.00 H new ATOM 0 HD13 ILE A 67 70.686 13.687 3.129 1.00 1.00 H new ATOM 995 N CYS A 68 72.150 9.761 2.298 1.00 1.00 N ATOM 996 CA CYS A 68 72.685 8.581 1.562 1.00 1.00 C ATOM 997 C CYS A 68 73.035 9.007 0.129 1.00 1.00 C ATOM 998 O CYS A 68 72.179 9.435 -0.619 1.00 1.00 O ATOM 999 CB CYS A 68 71.634 7.464 1.540 1.00 1.00 C ATOM 1000 SG CYS A 68 72.237 6.052 2.499 1.00 1.00 S ATOM 0 H CYS A 68 71.133 9.820 2.354 1.00 1.00 H new ATOM 0 HA CYS A 68 73.580 8.207 2.059 1.00 1.00 H new ATOM 0 HB2 CYS A 68 70.694 7.826 1.957 1.00 1.00 H new ATOM 0 HB3 CYS A 68 71.432 7.160 0.513 1.00 1.00 H new ATOM 1005 N PRO A 69 74.293 8.921 -0.244 1.00 1.00 N ATOM 1006 CA PRO A 69 74.773 9.332 -1.602 1.00 1.00 C ATOM 1007 C PRO A 69 73.875 8.862 -2.755 1.00 1.00 C ATOM 1008 O PRO A 69 74.151 9.135 -3.907 1.00 1.00 O ATOM 1009 CB PRO A 69 76.149 8.672 -1.710 1.00 1.00 C ATOM 1010 CG PRO A 69 76.639 8.575 -0.303 1.00 1.00 C ATOM 1011 CD PRO A 69 75.401 8.422 0.588 1.00 1.00 C ATOM 0 HA PRO A 69 74.779 10.418 -1.693 1.00 1.00 H new ATOM 0 HB2 PRO A 69 76.080 7.688 -2.173 1.00 1.00 H new ATOM 0 HB3 PRO A 69 76.825 9.267 -2.324 1.00 1.00 H new ATOM 0 HG2 PRO A 69 77.308 7.723 -0.185 1.00 1.00 H new ATOM 0 HG3 PRO A 69 77.205 9.465 -0.029 1.00 1.00 H new ATOM 0 HD2 PRO A 69 75.245 7.383 0.878 1.00 1.00 H new ATOM 0 HD3 PRO A 69 75.499 8.998 1.508 1.00 1.00 H new ATOM 1019 N TRP A 70 72.814 8.159 -2.477 1.00 1.00 N ATOM 1020 CA TRP A 70 71.940 7.690 -3.589 1.00 1.00 C ATOM 1021 C TRP A 70 71.154 8.871 -4.166 1.00 1.00 C ATOM 1022 O TRP A 70 70.830 8.897 -5.336 1.00 1.00 O ATOM 1023 CB TRP A 70 70.966 6.623 -3.082 1.00 1.00 C ATOM 1024 CG TRP A 70 70.363 5.906 -4.247 1.00 1.00 C ATOM 1025 CD1 TRP A 70 71.062 5.260 -5.208 1.00 1.00 C ATOM 1026 CD2 TRP A 70 68.955 5.752 -4.592 1.00 1.00 C ATOM 1027 NE1 TRP A 70 70.175 4.719 -6.120 1.00 1.00 N ATOM 1028 CE2 TRP A 70 68.865 4.993 -5.785 1.00 1.00 C ATOM 1029 CE3 TRP A 70 67.761 6.189 -3.993 1.00 1.00 C ATOM 1030 CZ2 TRP A 70 67.631 4.682 -6.361 1.00 1.00 C ATOM 1031 CZ3 TRP A 70 66.521 5.879 -4.569 1.00 1.00 C ATOM 1032 CH2 TRP A 70 66.454 5.127 -5.750 1.00 1.00 C ATOM 0 H TRP A 70 72.515 7.891 -1.539 1.00 1.00 H new ATOM 0 HA TRP A 70 72.566 7.257 -4.369 1.00 1.00 H new ATOM 0 HB2 TRP A 70 71.488 5.916 -2.437 1.00 1.00 H new ATOM 0 HB3 TRP A 70 70.183 7.086 -2.481 1.00 1.00 H new ATOM 0 HD1 TRP A 70 72.138 5.180 -5.255 1.00 1.00 H new ATOM 0 HE1 TRP A 70 70.455 4.182 -6.941 1.00 1.00 H new ATOM 0 HE3 TRP A 70 67.799 6.768 -3.082 1.00 1.00 H new ATOM 0 HZ2 TRP A 70 67.586 4.102 -7.271 1.00 1.00 H new ATOM 0 HZ3 TRP A 70 65.611 6.222 -4.099 1.00 1.00 H new ATOM 0 HH2 TRP A 70 65.495 4.892 -6.188 1.00 1.00 H new ATOM 1043 N GLU A 71 70.848 9.854 -3.362 1.00 1.00 N ATOM 1044 CA GLU A 71 70.089 11.025 -3.887 1.00 1.00 C ATOM 1045 C GLU A 71 71.022 11.888 -4.739 1.00 1.00 C ATOM 1046 O GLU A 71 70.588 12.610 -5.615 1.00 1.00 O ATOM 1047 CB GLU A 71 69.549 11.859 -2.721 1.00 1.00 C ATOM 1048 CG GLU A 71 68.326 11.165 -2.118 1.00 1.00 C ATOM 1049 CD GLU A 71 67.697 12.069 -1.057 1.00 1.00 C ATOM 1050 OE1 GLU A 71 67.976 13.256 -1.077 1.00 1.00 O ATOM 1051 OE2 GLU A 71 66.946 11.558 -0.241 1.00 1.00 O ATOM 0 H GLU A 71 71.089 9.897 -2.372 1.00 1.00 H new ATOM 0 HA GLU A 71 69.254 10.673 -4.493 1.00 1.00 H new ATOM 0 HB2 GLU A 71 70.321 11.983 -1.961 1.00 1.00 H new ATOM 0 HB3 GLU A 71 69.280 12.857 -3.068 1.00 1.00 H new ATOM 0 HG2 GLU A 71 67.599 10.943 -2.899 1.00 1.00 H new ATOM 0 HG3 GLU A 71 68.617 10.213 -1.674 1.00 1.00 H new ATOM 1058 N ALA A 72 72.301 11.819 -4.488 1.00 1.00 N ATOM 1059 CA ALA A 72 73.261 12.637 -5.280 1.00 1.00 C ATOM 1060 C ALA A 72 73.484 11.992 -6.651 1.00 1.00 C ATOM 1061 O ALA A 72 73.061 12.508 -7.666 1.00 1.00 O ATOM 1062 CB ALA A 72 74.596 12.722 -4.536 1.00 1.00 C ATOM 0 H ALA A 72 72.722 11.231 -3.768 1.00 1.00 H new ATOM 0 HA ALA A 72 72.852 13.639 -5.414 1.00 1.00 H new ATOM 0 HB1 ALA A 72 75.298 13.321 -5.116 1.00 1.00 H new ATOM 0 HB2 ALA A 72 74.441 13.187 -3.562 1.00 1.00 H new ATOM 0 HB3 ALA A 72 75.001 11.719 -4.399 1.00 1.00 H new ATOM 1068 N CYS A 73 74.154 10.872 -6.689 1.00 1.00 N ATOM 1069 CA CYS A 73 74.411 10.202 -7.996 1.00 1.00 C ATOM 1070 C CYS A 73 73.163 9.429 -8.432 1.00 1.00 C ATOM 1071 O CYS A 73 72.704 9.557 -9.549 1.00 1.00 O ATOM 1072 CB CYS A 73 75.594 9.234 -7.855 1.00 1.00 C ATOM 1073 SG CYS A 73 76.289 9.372 -6.190 1.00 1.00 S ATOM 0 H CYS A 73 74.534 10.393 -5.873 1.00 1.00 H new ATOM 0 HA CYS A 73 74.649 10.955 -8.747 1.00 1.00 H new ATOM 0 HB2 CYS A 73 75.265 8.211 -8.040 1.00 1.00 H new ATOM 0 HB3 CYS A 73 76.356 9.463 -8.599 1.00 1.00 H new ATOM 1078 N ASN A 74 72.616 8.622 -7.564 1.00 1.00 N ATOM 1079 CA ASN A 74 71.403 7.834 -7.933 1.00 1.00 C ATOM 1080 C ASN A 74 71.775 6.808 -9.007 1.00 1.00 C ATOM 1081 O ASN A 74 72.936 6.561 -9.259 1.00 1.00 O ATOM 1082 CB ASN A 74 70.317 8.774 -8.471 1.00 1.00 C ATOM 1083 CG ASN A 74 68.946 8.113 -8.313 1.00 1.00 C ATOM 1084 OD1 ASN A 74 68.634 7.576 -7.269 1.00 1.00 O ATOM 1085 ND2 ASN A 74 68.108 8.130 -9.314 1.00 1.00 N ATOM 0 H ASN A 74 72.956 8.474 -6.614 1.00 1.00 H new ATOM 0 HA ASN A 74 71.022 7.318 -7.051 1.00 1.00 H new ATOM 0 HB2 ASN A 74 70.340 9.721 -7.931 1.00 1.00 H new ATOM 0 HB3 ASN A 74 70.505 9.001 -9.521 1.00 1.00 H new ATOM 0 HD21 ASN A 74 67.191 7.692 -9.219 1.00 1.00 H new ATOM 0 HD22 ASN A 74 68.370 8.581 -10.191 1.00 1.00 H new ATOM 1092 N HIS A 75 70.797 6.214 -9.640 1.00 1.00 N ATOM 1093 CA HIS A 75 71.079 5.201 -10.703 1.00 1.00 C ATOM 1094 C HIS A 75 72.228 4.282 -10.269 1.00 1.00 C ATOM 1095 O HIS A 75 73.384 4.652 -10.305 1.00 1.00 O ATOM 1096 CB HIS A 75 71.447 5.916 -12.007 1.00 1.00 C ATOM 1097 CG HIS A 75 72.770 6.613 -11.844 1.00 1.00 C ATOM 1098 ND1 HIS A 75 72.879 7.861 -11.251 1.00 1.00 N ATOM 1099 CD2 HIS A 75 74.048 6.248 -12.191 1.00 1.00 C ATOM 1100 CE1 HIS A 75 74.180 8.203 -11.257 1.00 1.00 C ATOM 1101 NE2 HIS A 75 74.934 7.255 -11.819 1.00 1.00 N ATOM 0 H HIS A 75 69.807 6.388 -9.465 1.00 1.00 H new ATOM 0 HA HIS A 75 70.188 4.594 -10.862 1.00 1.00 H new ATOM 0 HB2 HIS A 75 71.501 5.197 -12.825 1.00 1.00 H new ATOM 0 HB3 HIS A 75 70.674 6.638 -12.268 1.00 1.00 H new ATOM 0 HD1 HIS A 75 72.111 8.419 -10.878 1.00 1.00 H new ATOM 0 HD2 HIS A 75 74.323 5.323 -12.677 1.00 1.00 H new ATOM 0 HE1 HIS A 75 74.566 9.129 -10.857 1.00 1.00 H new ATOM 1110 N CYS A 76 71.915 3.082 -9.856 1.00 1.00 N ATOM 1111 CA CYS A 76 72.980 2.137 -9.413 1.00 1.00 C ATOM 1112 C CYS A 76 73.110 0.994 -10.424 1.00 1.00 C ATOM 1113 O CYS A 76 73.118 -0.166 -10.063 1.00 1.00 O ATOM 1114 CB CYS A 76 72.610 1.563 -8.044 1.00 1.00 C ATOM 1115 SG CYS A 76 74.115 1.059 -7.175 1.00 1.00 S ATOM 0 H CYS A 76 70.964 2.715 -9.807 1.00 1.00 H new ATOM 0 HA CYS A 76 73.929 2.668 -9.345 1.00 1.00 H new ATOM 0 HB2 CYS A 76 72.072 2.308 -7.459 1.00 1.00 H new ATOM 0 HB3 CYS A 76 71.943 0.709 -8.164 1.00 1.00 H new ATOM 1120 N GLU A 77 73.219 1.306 -11.687 1.00 1.00 N ATOM 1121 CA GLU A 77 73.355 0.222 -12.702 1.00 1.00 C ATOM 1122 C GLU A 77 74.754 -0.391 -12.602 1.00 1.00 C ATOM 1123 O GLU A 77 75.040 -1.164 -11.708 1.00 1.00 O ATOM 1124 CB GLU A 77 73.139 0.791 -14.113 1.00 1.00 C ATOM 1125 CG GLU A 77 73.699 2.213 -14.188 1.00 1.00 C ATOM 1126 CD GLU A 77 72.554 3.220 -14.064 1.00 1.00 C ATOM 1127 OE1 GLU A 77 71.581 2.902 -13.400 1.00 1.00 O ATOM 1128 OE2 GLU A 77 72.670 4.292 -14.634 1.00 1.00 O ATOM 0 H GLU A 77 73.220 2.256 -12.058 1.00 1.00 H new ATOM 0 HA GLU A 77 72.604 -0.545 -12.512 1.00 1.00 H new ATOM 0 HB2 GLU A 77 73.631 0.157 -14.850 1.00 1.00 H new ATOM 0 HB3 GLU A 77 72.076 0.795 -14.355 1.00 1.00 H new ATOM 0 HG2 GLU A 77 74.425 2.372 -13.391 1.00 1.00 H new ATOM 0 HG3 GLU A 77 74.225 2.359 -15.132 1.00 1.00 H new ATOM 1135 N LEU A 78 75.629 -0.056 -13.513 1.00 1.00 N ATOM 1136 CA LEU A 78 77.008 -0.622 -13.471 1.00 1.00 C ATOM 1137 C LEU A 78 76.925 -2.134 -13.241 1.00 1.00 C ATOM 1138 O LEU A 78 76.308 -2.852 -14.002 1.00 1.00 O ATOM 1139 CB LEU A 78 77.800 0.035 -12.334 1.00 1.00 C ATOM 1140 CG LEU A 78 78.271 1.422 -12.775 1.00 1.00 C ATOM 1141 CD1 LEU A 78 77.057 2.324 -13.008 1.00 1.00 C ATOM 1142 CD2 LEU A 78 79.154 2.030 -11.684 1.00 1.00 C ATOM 0 H LEU A 78 75.448 0.586 -14.285 1.00 1.00 H new ATOM 0 HA LEU A 78 77.514 -0.426 -14.416 1.00 1.00 H new ATOM 0 HB2 LEU A 78 77.177 0.117 -11.443 1.00 1.00 H new ATOM 0 HB3 LEU A 78 78.657 -0.584 -12.068 1.00 1.00 H new ATOM 0 HG LEU A 78 78.841 1.335 -13.700 1.00 1.00 H new ATOM 0 HD11 LEU A 78 77.393 3.312 -13.322 1.00 1.00 H new ATOM 0 HD12 LEU A 78 76.426 1.891 -13.784 1.00 1.00 H new ATOM 0 HD13 LEU A 78 76.486 2.412 -12.084 1.00 1.00 H new ATOM 0 HD21 LEU A 78 79.490 3.018 -11.997 1.00 1.00 H new ATOM 0 HD22 LEU A 78 78.583 2.117 -10.760 1.00 1.00 H new ATOM 0 HD23 LEU A 78 80.019 1.388 -11.517 1.00 1.00 H new ATOM 1154 N HIS A 79 77.538 -2.624 -12.199 1.00 1.00 N ATOM 1155 CA HIS A 79 77.490 -4.087 -11.926 1.00 1.00 C ATOM 1156 C HIS A 79 78.286 -4.832 -13.001 1.00 1.00 C ATOM 1157 O HIS A 79 78.268 -6.045 -13.071 1.00 1.00 O ATOM 1158 CB HIS A 79 76.031 -4.560 -11.938 1.00 1.00 C ATOM 1159 CG HIS A 79 75.879 -5.739 -11.017 1.00 1.00 C ATOM 1160 ND1 HIS A 79 76.445 -6.974 -11.299 1.00 1.00 N ATOM 1161 CD2 HIS A 79 75.230 -5.888 -9.816 1.00 1.00 C ATOM 1162 CE1 HIS A 79 76.129 -7.806 -10.290 1.00 1.00 C ATOM 1163 NE2 HIS A 79 75.391 -7.194 -9.362 1.00 1.00 N ATOM 0 H HIS A 79 78.070 -2.074 -11.525 1.00 1.00 H new ATOM 0 HA HIS A 79 77.927 -4.292 -10.949 1.00 1.00 H new ATOM 0 HB2 HIS A 79 75.373 -3.751 -11.622 1.00 1.00 H new ATOM 0 HB3 HIS A 79 75.735 -4.835 -12.950 1.00 1.00 H new ATOM 0 HD1 HIS A 79 77.000 -7.209 -12.122 1.00 1.00 H new ATOM 0 HD2 HIS A 79 74.680 -5.113 -9.303 1.00 1.00 H new ATOM 0 HE1 HIS A 79 76.435 -8.841 -10.238 1.00 1.00 H new ATOM 1172 N GLU A 80 78.987 -4.115 -13.837 1.00 1.00 N ATOM 1173 CA GLU A 80 79.786 -4.783 -14.902 1.00 1.00 C ATOM 1174 C GLU A 80 81.025 -5.421 -14.272 1.00 1.00 C ATOM 1175 O GLU A 80 81.312 -6.585 -14.478 1.00 1.00 O ATOM 1176 CB GLU A 80 80.216 -3.746 -15.946 1.00 1.00 C ATOM 1177 CG GLU A 80 80.469 -4.442 -17.285 1.00 1.00 C ATOM 1178 CD GLU A 80 81.522 -5.536 -17.101 1.00 1.00 C ATOM 1179 OE1 GLU A 80 82.698 -5.215 -17.156 1.00 1.00 O ATOM 1180 OE2 GLU A 80 81.135 -6.677 -16.909 1.00 1.00 O ATOM 0 H GLU A 80 79.040 -3.096 -13.828 1.00 1.00 H new ATOM 0 HA GLU A 80 79.184 -5.552 -15.386 1.00 1.00 H new ATOM 0 HB2 GLU A 80 79.442 -2.987 -16.060 1.00 1.00 H new ATOM 0 HB3 GLU A 80 81.119 -3.234 -15.614 1.00 1.00 H new ATOM 0 HG2 GLU A 80 79.542 -4.874 -17.663 1.00 1.00 H new ATOM 0 HG3 GLU A 80 80.808 -3.717 -18.025 1.00 1.00 H new ATOM 1187 N LEU A 81 81.760 -4.667 -13.501 1.00 1.00 N ATOM 1188 CA LEU A 81 82.978 -5.226 -12.852 1.00 1.00 C ATOM 1189 C LEU A 81 82.563 -6.090 -11.658 1.00 1.00 C ATOM 1190 O LEU A 81 83.374 -6.764 -11.054 1.00 1.00 O ATOM 1191 CB LEU A 81 83.875 -4.079 -12.373 1.00 1.00 C ATOM 1192 CG LEU A 81 84.631 -3.487 -13.564 1.00 1.00 C ATOM 1193 CD1 LEU A 81 85.615 -4.522 -14.110 1.00 1.00 C ATOM 1194 CD2 LEU A 81 83.634 -3.104 -14.660 1.00 1.00 C ATOM 0 H LEU A 81 81.569 -3.687 -13.293 1.00 1.00 H new ATOM 0 HA LEU A 81 83.528 -5.836 -13.568 1.00 1.00 H new ATOM 0 HB2 LEU A 81 83.272 -3.308 -11.893 1.00 1.00 H new ATOM 0 HB3 LEU A 81 84.580 -4.443 -11.626 1.00 1.00 H new ATOM 0 HG LEU A 81 85.178 -2.601 -13.243 1.00 1.00 H new ATOM 0 HD11 LEU A 81 86.153 -4.100 -14.959 1.00 1.00 H new ATOM 0 HD12 LEU A 81 86.325 -4.796 -13.330 1.00 1.00 H new ATOM 0 HD13 LEU A 81 85.069 -5.409 -14.432 1.00 1.00 H new ATOM 0 HD21 LEU A 81 84.171 -2.682 -15.509 1.00 1.00 H new ATOM 0 HD22 LEU A 81 83.087 -3.991 -14.981 1.00 1.00 H new ATOM 0 HD23 LEU A 81 82.932 -2.366 -14.272 1.00 1.00 H new ATOM 1206 N ALA A 82 81.303 -6.076 -11.315 1.00 1.00 N ATOM 1207 CA ALA A 82 80.833 -6.898 -10.162 1.00 1.00 C ATOM 1208 C ALA A 82 81.003 -8.383 -10.491 1.00 1.00 C ATOM 1209 O ALA A 82 81.001 -8.779 -11.640 1.00 1.00 O ATOM 1210 CB ALA A 82 79.357 -6.598 -9.895 1.00 1.00 C ATOM 0 H ALA A 82 80.579 -5.531 -11.783 1.00 1.00 H new ATOM 0 HA ALA A 82 81.420 -6.655 -9.276 1.00 1.00 H new ATOM 0 HB1 ALA A 82 79.010 -7.197 -9.053 1.00 1.00 H new ATOM 0 HB2 ALA A 82 79.237 -5.540 -9.661 1.00 1.00 H new ATOM 0 HB3 ALA A 82 78.770 -6.843 -10.780 1.00 1.00 H new ATOM 1216 N GLN A 83 81.154 -9.212 -9.491 1.00 1.00 N ATOM 1217 CA GLN A 83 81.328 -10.672 -9.748 1.00 1.00 C ATOM 1218 C GLN A 83 80.874 -11.465 -8.513 1.00 1.00 C ATOM 1219 O GLN A 83 79.734 -11.870 -8.412 1.00 1.00 O ATOM 1220 CB GLN A 83 82.807 -10.959 -10.049 1.00 1.00 C ATOM 1221 CG GLN A 83 83.683 -9.929 -9.332 1.00 1.00 C ATOM 1222 CD GLN A 83 85.151 -10.348 -9.433 1.00 1.00 C ATOM 1223 OE1 GLN A 83 86.009 -9.533 -9.705 1.00 1.00 O ATOM 1224 NE2 GLN A 83 85.477 -11.594 -9.224 1.00 1.00 N ATOM 0 H GLN A 83 81.164 -8.941 -8.508 1.00 1.00 H new ATOM 0 HA GLN A 83 80.724 -10.974 -10.604 1.00 1.00 H new ATOM 0 HB2 GLN A 83 83.067 -11.965 -9.721 1.00 1.00 H new ATOM 0 HB3 GLN A 83 82.985 -10.918 -11.124 1.00 1.00 H new ATOM 0 HG2 GLN A 83 83.544 -8.944 -9.778 1.00 1.00 H new ATOM 0 HG3 GLN A 83 83.388 -9.850 -8.286 1.00 1.00 H new ATOM 0 HE21 GLN A 83 84.756 -12.278 -8.996 1.00 1.00 H new ATOM 0 HE22 GLN A 83 86.453 -11.884 -9.289 1.00 1.00 H new ATOM 1233 N TYR A 84 81.756 -11.681 -7.574 1.00 1.00 N ATOM 1234 CA TYR A 84 81.376 -12.438 -6.344 1.00 1.00 C ATOM 1235 C TYR A 84 82.474 -12.261 -5.298 1.00 1.00 C ATOM 1236 O TYR A 84 83.271 -13.145 -5.061 1.00 1.00 O ATOM 1237 CB TYR A 84 81.216 -13.924 -6.669 1.00 1.00 C ATOM 1238 CG TYR A 84 80.429 -14.599 -5.572 1.00 1.00 C ATOM 1239 CD1 TYR A 84 79.032 -14.656 -5.645 1.00 1.00 C ATOM 1240 CD2 TYR A 84 81.096 -15.169 -4.481 1.00 1.00 C ATOM 1241 CE1 TYR A 84 78.302 -15.282 -4.627 1.00 1.00 C ATOM 1242 CE2 TYR A 84 80.367 -15.795 -3.463 1.00 1.00 C ATOM 1243 CZ TYR A 84 78.970 -15.852 -3.537 1.00 1.00 C ATOM 1244 OH TYR A 84 78.251 -16.469 -2.534 1.00 1.00 O ATOM 0 H TYR A 84 82.725 -11.366 -7.605 1.00 1.00 H new ATOM 0 HA TYR A 84 80.429 -12.058 -5.961 1.00 1.00 H new ATOM 0 HB2 TYR A 84 80.705 -14.045 -7.624 1.00 1.00 H new ATOM 0 HB3 TYR A 84 82.195 -14.392 -6.769 1.00 1.00 H new ATOM 0 HD1 TYR A 84 78.517 -14.217 -6.487 1.00 1.00 H new ATOM 0 HD2 TYR A 84 82.174 -15.126 -4.425 1.00 1.00 H new ATOM 0 HE1 TYR A 84 77.224 -15.325 -4.683 1.00 1.00 H new ATOM 0 HE2 TYR A 84 80.882 -16.234 -2.621 1.00 1.00 H new ATOM 0 HH TYR A 84 78.867 -16.812 -1.854 1.00 1.00 H new ATOM 1254 N GLY A 85 82.523 -11.118 -4.682 1.00 1.00 N ATOM 1255 CA GLY A 85 83.569 -10.859 -3.657 1.00 1.00 C ATOM 1256 C GLY A 85 83.684 -9.351 -3.464 1.00 1.00 C ATOM 1257 O GLY A 85 84.389 -8.868 -2.599 1.00 1.00 O ATOM 0 H GLY A 85 81.878 -10.344 -4.845 1.00 1.00 H new ATOM 0 HA2 GLY A 85 83.308 -11.344 -2.716 1.00 1.00 H new ATOM 0 HA3 GLY A 85 84.525 -11.275 -3.975 1.00 1.00 H new ATOM 1261 N ILE A 86 82.988 -8.606 -4.280 1.00 1.00 N ATOM 1262 CA ILE A 86 83.039 -7.121 -4.173 1.00 1.00 C ATOM 1263 C ILE A 86 82.501 -6.684 -2.806 1.00 1.00 C ATOM 1264 O ILE A 86 81.438 -7.094 -2.381 1.00 1.00 O ATOM 1265 CB ILE A 86 82.193 -6.501 -5.297 1.00 1.00 C ATOM 1266 CG1 ILE A 86 81.036 -7.442 -5.641 1.00 1.00 C ATOM 1267 CG2 ILE A 86 83.064 -6.292 -6.537 1.00 1.00 C ATOM 1268 CD1 ILE A 86 79.914 -6.648 -6.311 1.00 1.00 C ATOM 0 H ILE A 86 82.384 -8.965 -5.019 1.00 1.00 H new ATOM 0 HA ILE A 86 84.070 -6.781 -4.271 1.00 1.00 H new ATOM 0 HB ILE A 86 81.797 -5.541 -4.966 1.00 1.00 H new ATOM 0 HG12 ILE A 86 81.382 -8.234 -6.305 1.00 1.00 H new ATOM 0 HG13 ILE A 86 80.665 -7.924 -4.737 1.00 1.00 H new ATOM 0 HG21 ILE A 86 82.464 -5.852 -7.333 1.00 1.00 H new ATOM 0 HG22 ILE A 86 83.889 -5.623 -6.293 1.00 1.00 H new ATOM 0 HG23 ILE A 86 83.461 -7.251 -6.869 1.00 1.00 H new ATOM 0 HD11 ILE A 86 79.090 -7.318 -6.556 1.00 1.00 H new ATOM 0 HD12 ILE A 86 79.561 -5.872 -5.631 1.00 1.00 H new ATOM 0 HD13 ILE A 86 80.290 -6.186 -7.224 1.00 1.00 H new ATOM 1280 N CYS A 87 83.236 -5.855 -2.117 1.00 1.00 N ATOM 1281 CA CYS A 87 82.783 -5.383 -0.776 1.00 1.00 C ATOM 1282 C CYS A 87 81.389 -4.765 -0.895 1.00 1.00 C ATOM 1283 CB CYS A 87 83.765 -4.334 -0.247 1.00 1.00 C ATOM 1284 SG CYS A 87 84.279 -3.250 -1.603 1.00 1.00 S ATOM 0 H CYS A 87 84.134 -5.482 -2.425 1.00 1.00 H new ATOM 0 HA CYS A 87 82.746 -6.227 -0.087 1.00 1.00 H new ATOM 0 HB2 CYS A 87 83.297 -3.748 0.544 1.00 1.00 H new ATOM 0 HB3 CYS A 87 84.635 -4.823 0.191 1.00 1.00 H new TER 1289 CYS A 87 HETATM 1290 C1C RCY A 110 55.813 -10.694 -2.442 1.00 1.00 C HETATM 1291 O1G RCY A 110 58.280 -9.149 -1.541 1.00 1.00 O HETATM 1292 O1H RCY A 110 55.055 -6.285 0.381 1.00 1.00 O HETATM 1293 O1J RCY A 110 54.293 -10.381 -5.022 1.00 1.00 O HETATM 1294 C1L RCY A 110 58.294 -7.690 0.423 1.00 1.00 C HETATM 1295 C1M RCY A 110 55.006 -7.142 -3.096 1.00 1.00 C HETATM 1296 C1P RCY A 110 57.697 -8.325 -0.839 1.00 1.00 C HETATM 1297 C1Q RCY A 110 56.117 -6.751 -0.030 1.00 1.00 C HETATM 1298 N1R RCY A 110 56.287 -7.805 -1.117 1.00 1.00 N HETATM 1299 C1S RCY A 110 57.505 -6.377 0.455 1.00 1.00 C HETATM 1300 C1U RCY A 110 55.295 -8.227 -2.202 1.00 1.00 C HETATM 1301 C1V RCY A 110 57.240 -8.975 -3.640 1.00 1.00 C HETATM 1302 N1V RCY A 110 54.828 -9.265 -4.247 1.00 1.00 N HETATM 1303 C1W RCY A 110 54.494 -7.782 -4.392 1.00 1.00 C HETATM 1304 C1X RCY A 110 55.845 -9.321 -3.116 1.00 1.00 C HETATM 1305 C1Y RCY A 110 55.212 -7.186 -5.606 1.00 1.00 C HETATM 1306 C1Z RCY A 110 52.980 -7.621 -4.530 1.00 1.00 C HETATM 0 H1ZB RCY A 110 52.485 -8.102 -3.687 1.00 1.00 H new HETATM 0 H1ZA RCY A 110 52.727 -6.561 -4.543 1.00 1.00 H new HETATM 0 H1YB RCY A 110 55.029 -6.112 -5.646 1.00 1.00 H new HETATM 0 H1YA RCY A 110 56.283 -7.369 -5.521 1.00 1.00 H new HETATM 0 H1VB RCY A 110 57.948 -8.965 -2.811 1.00 1.00 H new HETATM 0 H1VA RCY A 110 57.549 -9.721 -4.372 1.00 1.00 H new HETATM 0 H1MA RCY A 110 54.258 -6.474 -2.669 1.00 1.00 H new HETATM 0 H1LA RCY A 110 58.130 -8.297 1.313 1.00 1.00 H new HETATM 0 H1CB RCY A 110 56.419 -10.669 -1.536 1.00 1.00 H new HETATM 0 H1CA RCY A 110 54.785 -10.949 -2.184 1.00 1.00 H new HETATM 0 H1Z RCY A 110 52.648 -8.085 -5.459 1.00 1.00 H new HETATM 0 H1Y RCY A 110 54.836 -7.652 -6.516 1.00 1.00 H new HETATM 0 H1V RCY A 110 57.218 -7.992 -4.111 1.00 1.00 H new HETATM 0 H1U RCY A 110 54.421 -8.569 -1.648 1.00 1.00 H new HETATM 0 H1S RCY A 110 57.961 -5.625 -0.189 1.00 1.00 H new HETATM 0 H1M RCY A 110 55.897 -6.543 -3.283 1.00 1.00 H new HETATM 0 H1L RCY A 110 59.369 -7.529 0.341 1.00 1.00 H new HETATM 0 H1C RCY A 110 56.212 -11.444 -3.125 1.00 1.00 H new HETATM 1309 C1C RCY A 121 66.943 -9.458 -8.462 1.00 1.00 C HETATM 1310 O1G RCY A 121 65.013 -8.135 -10.217 1.00 1.00 O HETATM 1311 O1H RCY A 121 68.578 -5.588 -11.979 1.00 1.00 O HETATM 1312 O1J RCY A 121 69.651 -10.623 -7.844 1.00 1.00 O HETATM 1313 C1L RCY A 121 65.122 -5.978 -11.368 1.00 1.00 C HETATM 1314 C1M RCY A 121 69.553 -8.010 -10.649 1.00 1.00 C HETATM 1315 C1P RCY A 121 65.696 -7.249 -10.729 1.00 1.00 C HETATM 1316 C1Q RCY A 121 67.536 -5.917 -11.415 1.00 1.00 C HETATM 1317 N1R RCY A 121 67.222 -7.277 -10.805 1.00 1.00 N HETATM 1318 C1S RCY A 121 66.319 -5.036 -11.198 1.00 1.00 C HETATM 1319 C1U RCY A 121 68.193 -8.381 -10.382 1.00 1.00 C HETATM 1320 C1V RCY A 121 68.300 -7.352 -8.071 1.00 1.00 C HETATM 1321 N1V RCY A 121 69.433 -9.485 -8.732 1.00 1.00 N HETATM 1322 C1W RCY A 121 70.421 -8.871 -9.723 1.00 1.00 C HETATM 1323 C1X RCY A 121 68.171 -8.646 -8.878 1.00 1.00 C HETATM 1324 C1Y RCY A 121 71.448 -8.006 -8.988 1.00 1.00 C HETATM 1325 C1Z RCY A 121 71.116 -9.992 -10.496 1.00 1.00 C HETATM 0 H1ZB RCY A 121 70.366 -10.632 -10.962 1.00 1.00 H new HETATM 0 H1ZA RCY A 121 71.755 -9.561 -11.267 1.00 1.00 H new HETATM 0 H1YB RCY A 121 72.092 -7.510 -9.714 1.00 1.00 H new HETATM 0 H1YA RCY A 121 70.931 -7.256 -8.390 1.00 1.00 H new HETATM 0 H1VB RCY A 121 67.415 -6.736 -8.228 1.00 1.00 H new HETATM 0 H1VA RCY A 121 68.393 -7.592 -7.012 1.00 1.00 H new HETATM 0 H1MA RCY A 121 69.806 -8.186 -11.695 1.00 1.00 H new HETATM 0 H1LA RCY A 121 64.850 -6.123 -12.414 1.00 1.00 H new HETATM 0 H1CB RCY A 121 66.038 -8.910 -8.726 1.00 1.00 H new HETATM 0 H1CA RCY A 121 66.950 -10.418 -8.978 1.00 1.00 H new HETATM 0 H1Z RCY A 121 71.723 -10.584 -9.811 1.00 1.00 H new HETATM 0 H1Y RCY A 121 72.054 -8.635 -8.336 1.00 1.00 H new HETATM 0 H1V RCY A 121 69.185 -6.806 -8.398 1.00 1.00 H new HETATM 0 H1U RCY A 121 67.869 -9.255 -10.948 1.00 1.00 H new HETATM 0 H1S RCY A 121 66.329 -4.584 -10.206 1.00 1.00 H new HETATM 0 H1M RCY A 121 69.712 -6.949 -10.456 1.00 1.00 H new HETATM 0 H1L RCY A 121 64.231 -5.618 -10.854 1.00 1.00 H new HETATM 0 H1C RCY A 121 66.965 -9.625 -7.385 1.00 1.00 H new HETATM 1328 C1C RCY A 130 91.548 16.269 -6.256 1.00 1.00 C HETATM 1329 O1G RCY A 130 89.747 14.496 -10.372 1.00 1.00 O HETATM 1330 O1H RCY A 130 89.085 13.574 -5.788 1.00 1.00 O HETATM 1331 O1J RCY A 130 94.448 16.424 -7.052 1.00 1.00 O HETATM 1332 C1L RCY A 130 87.766 13.958 -9.041 1.00 1.00 C HETATM 1333 C1M RCY A 130 92.350 13.784 -8.879 1.00 1.00 C HETATM 1334 C1P RCY A 130 89.262 14.194 -9.283 1.00 1.00 C HETATM 1335 C1Q RCY A 130 89.013 13.541 -7.016 1.00 1.00 C HETATM 1336 N1R RCY A 130 90.075 14.009 -8.002 1.00 1.00 N HETATM 1337 C1S RCY A 130 87.841 13.022 -7.829 1.00 1.00 C HETATM 1338 C1U RCY A 130 91.569 14.233 -7.762 1.00 1.00 C HETATM 1339 C1V RCY A 130 91.347 16.546 -8.768 1.00 1.00 C HETATM 1340 N1V RCY A 130 93.447 15.629 -7.758 1.00 1.00 N HETATM 1341 C1W RCY A 130 93.687 14.531 -8.793 1.00 1.00 C HETATM 1342 C1X RCY A 130 91.933 15.711 -7.628 1.00 1.00 C HETATM 1343 C1Y RCY A 130 94.050 15.143 -10.149 1.00 1.00 C HETATM 1344 C1Z RCY A 130 94.805 13.614 -8.299 1.00 1.00 C HETATM 0 H1ZB RCY A 130 94.555 13.237 -7.307 1.00 1.00 H new HETATM 0 H1ZA RCY A 130 94.920 12.777 -8.987 1.00 1.00 H new HETATM 0 H1YB RCY A 130 94.135 14.352 -10.894 1.00 1.00 H new HETATM 0 H1YA RCY A 130 93.272 15.845 -10.451 1.00 1.00 H new HETATM 0 H1VB RCY A 130 90.260 16.550 -8.694 1.00 1.00 H new HETATM 0 H1VA RCY A 130 91.719 17.568 -8.699 1.00 1.00 H new HETATM 0 H1MA RCY A 130 92.503 12.706 -8.839 1.00 1.00 H new HETATM 0 H1LA RCY A 130 87.228 14.881 -8.823 1.00 1.00 H new HETATM 0 H1CB RCY A 130 90.473 16.167 -6.111 1.00 1.00 H new HETATM 0 H1CA RCY A 130 92.073 15.716 -5.478 1.00 1.00 H new HETATM 0 H1Z RCY A 130 95.739 14.173 -8.249 1.00 1.00 H new HETATM 0 H1Y RCY A 130 95.001 15.669 -10.068 1.00 1.00 H new HETATM 0 H1V RCY A 130 91.644 16.116 -9.724 1.00 1.00 H new HETATM 0 H1U RCY A 130 91.779 13.683 -6.845 1.00 1.00 H new HETATM 0 H1S RCY A 130 87.998 11.988 -8.136 1.00 1.00 H new HETATM 0 H1M RCY A 130 91.844 13.999 -9.820 1.00 1.00 H new HETATM 0 H1L RCY A 130 87.273 13.495 -9.896 1.00 1.00 H new HETATM 0 H1C RCY A 130 91.823 17.322 -6.201 1.00 1.00 H new HETATM 1347 C1C RCY A 138 79.903 1.350 3.602 1.00 1.00 C HETATM 1348 O1G RCY A 138 83.102 1.882 3.726 1.00 1.00 O HETATM 1349 O1H RCY A 138 81.172 2.970 7.897 1.00 1.00 O HETATM 1350 O1J RCY A 138 82.236 -0.057 2.319 1.00 1.00 O HETATM 1351 C1L RCY A 138 83.309 3.812 5.215 1.00 1.00 C HETATM 1352 C1M RCY A 138 81.887 -0.512 6.111 1.00 1.00 C HETATM 1353 C1P RCY A 138 82.759 2.455 4.759 1.00 1.00 C HETATM 1354 C1Q RCY A 138 81.611 3.044 6.750 1.00 1.00 C HETATM 1355 N1R RCY A 138 81.732 1.904 5.747 1.00 1.00 N HETATM 1356 C1S RCY A 138 82.135 4.297 6.072 1.00 1.00 C HETATM 1357 C1U RCY A 138 81.005 0.558 5.740 1.00 1.00 C HETATM 1358 C1V RCY A 138 79.542 -1.026 4.412 1.00 1.00 C HETATM 1359 N1V RCY A 138 81.819 -0.261 3.703 1.00 1.00 N HETATM 1360 C1W RCY A 138 82.601 -0.943 4.824 1.00 1.00 C HETATM 1361 C1X RCY A 138 80.507 0.160 4.351 1.00 1.00 C HETATM 1362 C1Y RCY A 138 82.549 -2.465 4.663 1.00 1.00 C HETATM 1363 C1Z RCY A 138 84.047 -0.448 4.799 1.00 1.00 C HETATM 0 H1ZB RCY A 138 84.060 0.641 4.855 1.00 1.00 H new HETATM 0 H1ZA RCY A 138 84.588 -0.861 5.650 1.00 1.00 H new HETATM 0 H1YB RCY A 138 83.039 -2.938 5.514 1.00 1.00 H new HETATM 0 H1YA RCY A 138 81.510 -2.791 4.616 1.00 1.00 H new HETATM 0 H1VB RCY A 138 78.629 -0.726 4.927 1.00 1.00 H new HETATM 0 H1VA RCY A 138 79.298 -1.349 3.400 1.00 1.00 H new HETATM 0 H1MA RCY A 138 82.604 -0.182 6.863 1.00 1.00 H new HETATM 0 H1LA RCY A 138 84.232 3.717 5.787 1.00 1.00 H new HETATM 0 H1CB RCY A 138 79.059 1.746 4.168 1.00 1.00 H new HETATM 0 H1CA RCY A 138 80.658 2.127 3.485 1.00 1.00 H new HETATM 0 H1Z RCY A 138 84.526 -0.770 3.874 1.00 1.00 H new HETATM 0 H1Y RCY A 138 83.061 -2.751 3.744 1.00 1.00 H new HETATM 0 H1V RCY A 138 80.010 -1.849 4.952 1.00 1.00 H new HETATM 0 H1U RCY A 138 80.179 0.694 6.438 1.00 1.00 H new HETATM 0 H1S RCY A 138 81.366 4.768 5.460 1.00 1.00 H new HETATM 0 H1M RCY A 138 81.330 -1.343 6.544 1.00 1.00 H new HETATM 0 H1L RCY A 138 83.519 4.479 4.379 1.00 1.00 H new HETATM 0 H1C RCY A 138 79.561 1.026 2.619 1.00 1.00 H new HETATM 1366 C1C RCY A 150 70.589 -11.831 3.633 1.00 1.00 C HETATM 1367 O1G RCY A 150 72.199 -9.685 4.362 1.00 1.00 O HETATM 1368 O1H RCY A 150 75.774 -12.672 5.134 1.00 1.00 O HETATM 1369 O1J RCY A 150 69.100 -14.127 4.890 1.00 1.00 O HETATM 1370 C1L RCY A 150 74.619 -9.385 4.558 1.00 1.00 C HETATM 1371 C1M RCY A 150 72.711 -13.621 6.079 1.00 1.00 C HETATM 1372 C1P RCY A 150 73.306 -10.178 4.573 1.00 1.00 C HETATM 1373 C1Q RCY A 150 75.041 -11.685 5.162 1.00 1.00 C HETATM 1374 N1R RCY A 150 73.544 -11.655 4.881 1.00 1.00 N HETATM 1375 C1S RCY A 150 75.466 -10.264 5.485 1.00 1.00 C HETATM 1376 C1U RCY A 150 72.545 -12.813 4.905 1.00 1.00 C HETATM 1377 C1V RCY A 150 70.889 -11.313 6.096 1.00 1.00 C HETATM 1378 N1V RCY A 150 70.404 -13.652 5.343 1.00 1.00 N HETATM 1379 C1W RCY A 150 71.380 -14.356 6.284 1.00 1.00 C HETATM 1380 C1X RCY A 150 71.094 -12.343 4.983 1.00 1.00 C HETATM 1381 C1Y RCY A 150 70.911 -14.227 7.736 1.00 1.00 C HETATM 1382 C1Z RCY A 150 71.490 -15.827 5.882 1.00 1.00 C HETATM 0 H1ZB RCY A 150 71.766 -15.897 4.830 1.00 1.00 H new HETATM 0 H1ZA RCY A 150 72.252 -16.314 6.490 1.00 1.00 H new HETATM 0 H1YB RCY A 150 71.659 -14.660 8.400 1.00 1.00 H new HETATM 0 H1YA RCY A 150 70.774 -13.174 7.982 1.00 1.00 H new HETATM 0 H1VB RCY A 150 71.433 -10.400 5.852 1.00 1.00 H new HETATM 0 H1VA RCY A 150 69.827 -11.088 6.192 1.00 1.00 H new HETATM 0 H1MA RCY A 150 73.531 -14.328 5.952 1.00 1.00 H new HETATM 0 H1LA RCY A 150 75.045 -9.301 3.558 1.00 1.00 H new HETATM 0 H1CB RCY A 150 71.203 -10.991 3.310 1.00 1.00 H new HETATM 0 H1CA RCY A 150 70.650 -12.631 2.895 1.00 1.00 H new HETATM 0 H1Z RCY A 150 70.531 -16.320 6.039 1.00 1.00 H new HETATM 0 H1Y RCY A 150 69.966 -14.755 7.861 1.00 1.00 H new HETATM 0 H1V RCY A 150 71.261 -11.716 7.038 1.00 1.00 H new HETATM 0 H1U RCY A 150 72.741 -13.356 3.981 1.00 1.00 H new HETATM 0 H1S RCY A 150 75.284 -10.025 6.533 1.00 1.00 H new HETATM 0 H1M RCY A 150 72.953 -13.005 6.945 1.00 1.00 H new HETATM 0 H1L RCY A 150 74.499 -8.371 4.939 1.00 1.00 H new HETATM 0 H1C RCY A 150 69.553 -11.506 3.731 1.00 1.00 H new HETATM 1385 C1C RCY A 160 73.789 6.363 2.212 1.00 1.00 C HETATM 1386 O1G RCY A 160 78.511 3.544 2.632 1.00 1.00 O HETATM 1387 O1H RCY A 160 75.195 6.255 4.622 1.00 1.00 O HETATM 1388 O1J RCY A 160 72.337 4.690 0.172 1.00 1.00 O HETATM 1389 C1L RCY A 160 78.376 4.728 4.769 1.00 1.00 C HETATM 1390 C1M RCY A 160 75.699 3.302 1.388 1.00 1.00 C HETATM 1391 C1P RCY A 160 77.886 4.291 3.383 1.00 1.00 C HETATM 1392 C1Q RCY A 160 76.279 5.806 4.251 1.00 1.00 C HETATM 1393 N1R RCY A 160 76.524 4.899 3.051 1.00 1.00 N HETATM 1394 C1S RCY A 160 77.624 6.056 4.907 1.00 1.00 C HETATM 1395 C1U RCY A 160 75.629 4.665 1.833 1.00 1.00 C HETATM 1396 C1V RCY A 160 73.710 4.121 3.392 1.00 1.00 C HETATM 1397 N1V RCY A 160 73.524 4.247 0.898 1.00 1.00 N HETATM 1398 C1W RCY A 160 74.417 3.048 0.584 1.00 1.00 C HETATM 1399 C1X RCY A 160 74.146 4.877 2.136 1.00 1.00 C HETATM 1400 C1Y RCY A 160 73.747 1.748 1.037 1.00 1.00 C HETATM 1401 C1Z RCY A 160 74.700 3.015 -0.918 1.00 1.00 C HETATM 0 H1ZB RCY A 160 75.121 3.971 -1.230 1.00 1.00 H new HETATM 0 H1ZA RCY A 160 75.410 2.217 -1.137 1.00 1.00 H new HETATM 0 H1YB RCY A 160 74.431 0.913 0.884 1.00 1.00 H new HETATM 0 H1YA RCY A 160 73.493 1.819 2.094 1.00 1.00 H new HETATM 0 H1VB RCY A 160 74.207 4.547 4.264 1.00 1.00 H new HETATM 0 H1VA RCY A 160 72.630 4.207 3.512 1.00 1.00 H new HETATM 0 H1MA RCY A 160 76.583 3.138 0.772 1.00 1.00 H new HETATM 0 H1LA RCY A 160 78.110 4.015 5.549 1.00 1.00 H new HETATM 0 H1CB RCY A 160 74.371 6.837 3.002 1.00 1.00 H new HETATM 0 H1CA RCY A 160 74.015 6.841 1.259 1.00 1.00 H new HETATM 0 H1Z RCY A 160 73.772 2.833 -1.459 1.00 1.00 H new HETATM 0 H1Y RCY A 160 72.840 1.585 0.456 1.00 1.00 H new HETATM 0 H1V RCY A 160 73.982 3.070 3.297 1.00 1.00 H new HETATM 0 H1U RCY A 160 75.993 5.377 1.092 1.00 1.00 H new HETATM 0 H1S RCY A 160 78.160 6.868 4.415 1.00 1.00 H new HETATM 0 H1M RCY A 160 75.769 2.619 2.235 1.00 1.00 H new HETATM 0 H1L RCY A 160 79.458 4.855 4.808 1.00 1.00 H new HETATM 1404 C1C RCY A 168 68.245 3.946 -0.557 1.00 1.00 C HETATM 1405 O1G RCY A 168 71.968 1.268 0.643 1.00 1.00 O HETATM 1406 O1H RCY A 168 69.468 4.907 2.319 1.00 1.00 O HETATM 1407 O1J RCY A 168 69.575 2.240 -2.652 1.00 1.00 O HETATM 1408 C1L RCY A 168 72.595 3.431 1.601 1.00 1.00 C HETATM 1409 C1M RCY A 168 69.145 0.623 0.798 1.00 1.00 C HETATM 1410 C1P RCY A 168 71.621 2.356 1.102 1.00 1.00 C HETATM 1411 C1Q RCY A 168 70.322 4.234 1.743 1.00 1.00 C HETATM 1412 N1R RCY A 168 70.168 2.803 1.245 1.00 1.00 N HETATM 1413 C1S RCY A 168 71.731 4.681 1.398 1.00 1.00 C HETATM 1414 C1U RCY A 168 68.881 2.024 0.963 1.00 1.00 C HETATM 1415 C1V RCY A 168 66.802 1.864 -0.474 1.00 1.00 C HETATM 1416 N1V RCY A 168 69.147 1.747 -1.346 1.00 1.00 N HETATM 1417 C1W RCY A 168 69.530 0.430 -0.674 1.00 1.00 C HETATM 1418 C1X RCY A 168 68.218 2.430 -0.352 1.00 1.00 C HETATM 1419 C1Y RCY A 168 68.746 -0.733 -1.288 1.00 1.00 C HETATM 1420 C1Z RCY A 168 71.035 0.208 -0.830 1.00 1.00 C HETATM 0 H1ZB RCY A 168 71.573 1.073 -0.442 1.00 1.00 H new HETATM 0 H1ZA RCY A 168 71.331 -0.682 -0.275 1.00 1.00 H new HETATM 0 H1YB RCY A 168 68.968 -1.650 -0.742 1.00 1.00 H new HETATM 0 H1YA RCY A 168 67.678 -0.524 -1.227 1.00 1.00 H new HETATM 0 H1VB RCY A 168 66.161 2.322 0.279 1.00 1.00 H new HETATM 0 H1VA RCY A 168 66.408 2.081 -1.467 1.00 1.00 H new HETATM 0 H1MA RCY A 168 69.951 0.299 1.457 1.00 1.00 H new HETATM 0 H1LA RCY A 168 72.880 3.285 2.643 1.00 1.00 H new HETATM 0 H1CB RCY A 168 67.712 4.433 0.260 1.00 1.00 H new HETATM 0 H1CA RCY A 168 69.278 4.293 -0.574 1.00 1.00 H new HETATM 0 H1Z RCY A 168 71.276 0.075 -1.885 1.00 1.00 H new HETATM 0 H1Y RCY A 168 69.033 -0.854 -2.333 1.00 1.00 H new HETATM 0 H1V RCY A 168 66.827 0.785 -0.322 1.00 1.00 H new HETATM 0 H1U RCY A 168 68.242 2.242 1.819 1.00 1.00 H new HETATM 0 H1M RCY A 168 68.267 0.029 1.052 1.00 1.00 H new HETATM 0 H1C RCY A 168 67.764 4.194 -1.503 1.00 1.00 H new HETATM 1423 C1C RCY A 173 77.866 16.144 -6.963 1.00 1.00 C HETATM 1424 O1G RCY A 173 78.992 13.692 -5.529 1.00 1.00 O HETATM 1425 O1H RCY A 173 76.408 11.181 -8.582 1.00 1.00 O HETATM 1426 O1J RCY A 173 77.267 17.593 -9.534 1.00 1.00 O HETATM 1427 C1L RCY A 173 77.962 11.475 -5.425 1.00 1.00 C HETATM 1428 C1M RCY A 173 77.180 13.763 -9.712 1.00 1.00 C HETATM 1429 C1P RCY A 173 78.296 12.829 -6.063 1.00 1.00 C HETATM 1430 C1Q RCY A 173 76.836 11.695 -7.550 1.00 1.00 C HETATM 1431 N1R RCY A 173 77.657 12.973 -7.443 1.00 1.00 N HETATM 1432 C1S RCY A 173 76.642 11.167 -6.140 1.00 1.00 C HETATM 1433 C1U RCY A 173 77.799 14.105 -8.463 1.00 1.00 C HETATM 1434 C1V RCY A 173 75.641 15.107 -7.597 1.00 1.00 C HETATM 1435 N1V RCY A 173 77.095 16.155 -9.346 1.00 1.00 N HETATM 1436 C1W RCY A 173 76.888 15.091 -10.422 1.00 1.00 C HETATM 1437 C1X RCY A 173 77.081 15.383 -8.034 1.00 1.00 C HETATM 1438 C1Y RCY A 173 75.445 15.121 -10.935 1.00 1.00 C HETATM 1439 C1Z RCY A 173 77.872 15.337 -11.565 1.00 1.00 C HETATM 0 H1ZB RCY A 173 78.887 15.371 -11.170 1.00 1.00 H new HETATM 0 H1ZA RCY A 173 77.793 14.530 -12.293 1.00 1.00 H new HETATM 0 H1YB RCY A 173 75.292 14.303 -11.639 1.00 1.00 H new HETATM 0 H1YA RCY A 173 74.758 15.011 -10.096 1.00 1.00 H new HETATM 0 H1VB RCY A 173 75.646 14.507 -6.687 1.00 1.00 H new HETATM 0 H1VA RCY A 173 75.131 16.051 -7.407 1.00 1.00 H new HETATM 0 H1MA RCY A 173 77.838 13.136 -10.314 1.00 1.00 H new HETATM 0 H1LA RCY A 173 78.727 10.723 -5.618 1.00 1.00 H new HETATM 0 H1Z RCY A 173 77.639 16.286 -12.048 1.00 1.00 H new HETATM 0 H1Y RCY A 173 75.257 16.071 -11.436 1.00 1.00 H new HETATM 0 H1V RCY A 173 75.119 14.565 -8.386 1.00 1.00 H new HETATM 0 H1U RCY A 173 78.875 14.258 -8.547 1.00 1.00 H new HETATM 0 H1S RCY A 173 75.801 11.654 -5.647 1.00 1.00 H new HETATM 0 H1M RCY A 173 76.262 13.198 -9.550 1.00 1.00 H new HETATM 0 H1L RCY A 173 77.845 11.541 -4.343 1.00 1.00 H new HETATM 0 H1C RCY A 173 77.322 17.047 -6.685 1.00 1.00 H new HETATM 1442 C1C RCY A 176 74.886 -4.670 -4.066 1.00 1.00 C HETATM 1443 O1G RCY A 176 74.593 -3.941 -6.089 1.00 1.00 O HETATM 1444 O1H RCY A 176 73.386 0.288 -4.367 1.00 1.00 O HETATM 1445 O1J RCY A 176 76.881 -3.054 -2.493 1.00 1.00 O HETATM 1446 C1L RCY A 176 74.671 -1.674 -7.007 1.00 1.00 C HETATM 1447 C1M RCY A 176 73.245 -1.848 -2.322 1.00 1.00 C HETATM 1448 C1P RCY A 176 74.354 -2.742 -5.952 1.00 1.00 C HETATM 1449 C1Q RCY A 176 73.547 -0.672 -5.119 1.00 1.00 C HETATM 1450 N1R RCY A 176 73.706 -2.131 -4.710 1.00 1.00 N HETATM 1451 C1S RCY A 176 73.623 -0.619 -6.634 1.00 1.00 C HETATM 1452 C1U RCY A 176 73.315 -2.802 -3.392 1.00 1.00 C HETATM 1453 C1V RCY A 176 73.814 -4.680 -1.769 1.00 1.00 C HETATM 1454 N1V RCY A 176 75.435 -2.879 -2.403 1.00 1.00 N HETATM 1455 C1W RCY A 176 74.672 -1.713 -1.776 1.00 1.00 C HETATM 1456 C1X RCY A 176 74.350 -3.818 -2.913 1.00 1.00 C HETATM 1457 C1Y RCY A 176 74.677 -1.829 -0.249 1.00 1.00 C HETATM 1458 C1Z RCY A 176 75.314 -0.399 -2.220 1.00 1.00 C HETATM 0 H1ZB RCY A 176 75.355 -0.363 -3.309 1.00 1.00 H new HETATM 0 H1ZA RCY A 176 74.721 0.438 -1.852 1.00 1.00 H new HETATM 0 H1YB RCY A 176 74.059 -1.039 0.178 1.00 1.00 H new HETATM 0 H1YA RCY A 176 74.277 -2.800 0.043 1.00 1.00 H new HETATM 0 H1VB RCY A 176 73.002 -5.307 -2.136 1.00 1.00 H new HETATM 0 H1VA RCY A 176 74.614 -5.311 -1.383 1.00 1.00 H new HETATM 0 H1MA RCY A 176 72.873 -0.888 -2.680 1.00 1.00 H new HETATM 0 H1LA RCY A 176 75.690 -1.297 -6.926 1.00 1.00 H new HETATM 0 H1CB RCY A 176 74.063 -5.213 -4.530 1.00 1.00 H new HETATM 0 H1CA RCY A 176 75.358 -4.024 -4.807 1.00 1.00 H new HETATM 0 H1Z RCY A 176 76.325 -0.333 -1.817 1.00 1.00 H new HETATM 0 H1Y RCY A 176 75.698 -1.731 0.120 1.00 1.00 H new HETATM 0 H1V RCY A 176 73.443 -4.036 -0.971 1.00 1.00 H new HETATM 0 H1U RCY A 176 72.357 -3.276 -3.606 1.00 1.00 H new HETATM 0 H1S RCY A 176 72.657 -0.842 -7.087 1.00 1.00 H new HETATM 0 H1M RCY A 176 72.561 -2.185 -1.544 1.00 1.00 H new HETATM 0 H1L RCY A 176 74.548 -2.043 -8.025 1.00 1.00 H new HETATM 0 H1C RCY A 176 75.619 -5.380 -3.683 1.00 1.00 H new HETATM 1461 C1C RCY A 187 83.440 0.082 -5.485 1.00 1.00 C HETATM 1462 O1G RCY A 187 80.323 0.026 -1.477 1.00 1.00 O HETATM 1463 O1H RCY A 187 83.654 -1.904 -4.212 1.00 1.00 O HETATM 1464 O1J RCY A 187 82.590 -2.476 -6.827 1.00 1.00 O HETATM 1465 C1L RCY A 187 82.198 -1.479 -1.023 1.00 1.00 C HETATM 1466 C1M RCY A 187 79.828 -0.550 -4.992 1.00 1.00 C HETATM 1467 C1P RCY A 187 81.268 -0.635 -1.904 1.00 1.00 C HETATM 1468 C1Q RCY A 187 82.793 -1.738 -3.349 1.00 1.00 C HETATM 1469 N1R RCY A 187 81.661 -0.718 -3.378 1.00 1.00 N HETATM 1470 C1S RCY A 187 82.664 -2.515 -2.051 1.00 1.00 C HETATM 1471 C1U RCY A 187 81.076 0.025 -4.580 1.00 1.00 C HETATM 1472 C1V RCY A 187 81.514 0.902 -6.915 1.00 1.00 C HETATM 1473 N1V RCY A 187 81.662 -1.508 -6.249 1.00 1.00 N HETATM 1474 C1W RCY A 187 80.180 -1.706 -5.937 1.00 1.00 C HETATM 1475 C1X RCY A 187 81.957 -0.076 -5.825 1.00 1.00 C HETATM 1476 C1Y RCY A 187 79.347 -1.627 -7.219 1.00 1.00 C HETATM 1477 C1Z RCY A 187 79.989 -3.060 -5.253 1.00 1.00 C HETATM 0 H1ZB RCY A 187 80.635 -3.119 -4.377 1.00 1.00 H new HETATM 0 H1ZA RCY A 187 78.949 -3.169 -4.945 1.00 1.00 H new HETATM 0 H1YB RCY A 187 78.288 -1.686 -6.969 1.00 1.00 H new HETATM 0 H1YA RCY A 187 79.548 -0.683 -7.726 1.00 1.00 H new HETATM 0 H1VB RCY A 187 81.679 1.925 -6.575 1.00 1.00 H new HETATM 0 H1VA RCY A 187 82.092 0.723 -7.821 1.00 1.00 H new HETATM 0 H1MA RCY A 187 79.262 -0.909 -4.132 1.00 1.00 H new HETATM 0 H1LA RCY A 187 83.024 -0.898 -0.612 1.00 1.00 H new HETATM 0 H1CB RCY A 187 83.606 1.057 -5.026 1.00 1.00 H new HETATM 0 H1CA RCY A 187 83.739 -0.702 -4.790 1.00 1.00 H new HETATM 0 H1Z RCY A 187 80.247 -3.859 -5.949 1.00 1.00 H new HETATM 0 H1Y RCY A 187 79.611 -2.455 -7.876 1.00 1.00 H new HETATM 0 H1V RCY A 187 80.455 0.756 -7.126 1.00 1.00 H new HETATM 0 H1U RCY A 187 80.980 1.056 -4.238 1.00 1.00 H new HETATM 0 H1S RCY A 187 81.946 -3.329 -2.146 1.00 1.00 H new HETATM 0 H1M RCY A 187 79.206 0.190 -5.497 1.00 1.00 H new HETATM 0 H1L RCY A 187 81.676 -1.933 -0.180 1.00 1.00 H new HETATM 0 H1C RCY A 187 84.033 0.004 -6.397 1.00 1.00 H new