USER MOD reduce.3.24.130724 H: found=0, std=0, add=791, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 659 hydrogens (20 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 70 TRP H : A 70 TRP N : A 121 RCY C1Z :(H bumps) USER MOD NoAdj-H: A 110 RCYH1SA : A 110 RCY C1S : A 10 CYS SG :(H bumps) USER MOD NoAdj-H: A 110 RCY H1L : A 110 RCY C1L : A 9 GLU C :(H bumps) USER MOD NoAdj-H: A 121 RCYH1ZB : A 121 RCY C1Z : A 70 TRP CA :(H bumps) USER MOD NoAdj-H: A 121 RCYH1YB : A 121 RCY C1Y : A 68 CYS O :(H bumps) USER MOD NoAdj-H: A 121 RCYH1SA : A 121 RCY C1S : A 21 CYS SG :(H bumps) USER MOD NoAdj-H: A 121 RCYH1MA : A 121 RCY C1M : A 69 PRO CB :(H bumps) USER MOD NoAdj-H: A 121 RCY H1Z : A 121 RCY C1Z : A 70 TRP CA :(H bumps) USER MOD NoAdj-H: A 121 RCY H1Y : A 121 RCY C1Y : A 68 CYS O :(H bumps) USER MOD NoAdj-H: A 121 RCY H1M : A 121 RCY C1M : A 69 PRO CB :(H bumps) USER MOD NoAdj-H: A 130 RCYH1YB : A 130 RCY C1Y : A 173 RCY C1X :(H bumps) USER MOD NoAdj-H: A 130 RCYH1YA : A 130 RCY C1Y : A 173 RCY C1X :(H bumps) USER MOD NoAdj-H: A 130 RCYH1SA : A 130 RCY C1S : A 30 CYS SG :(H bumps) USER MOD NoAdj-H: A 130 RCY H1Y : A 130 RCY C1Y : A 173 RCY C1X :(H bumps) USER MOD NoAdj-H: A 138 RCYH1SA : A 138 RCY C1S : A 38 CYS SG :(H bumps) USER MOD NoAdj-H: A 138 RCY H1S : A 138 RCY C1S : A 150 RCY O1J :(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 H1Z : A 160 RCY C1Z : A 168 RCY C1U :(H bumps) USER MOD NoAdj-H: A 160 RCY H1Y : A 160 RCY C1Y : A 168 RCY C1X :(H bumps) USER MOD NoAdj-H: A 168 RCYH1ZB : A 168 RCY C1Z : A 160 RCY O1J :(H bumps) USER MOD NoAdj-H: A 168 RCYH1VB : A 168 RCY C1V : A 176 RCY C1Y :(H bumps) USER MOD NoAdj-H: A 168 RCYH1VA : A 168 RCY C1V : A 176 RCY C1Y :(H bumps) USER MOD NoAdj-H: A 168 RCYH1SA : A 168 RCY C1S : A 68 CYS SG :(H bumps) USER MOD NoAdj-H: A 168 RCY H1V : A 168 RCY C1V : A 176 RCY C1Y :(H bumps) USER MOD NoAdj-H: A 168 RCY H1U : A 168 RCY C1U : A 160 RCY C1Z :(H bumps) USER MOD NoAdj-H: A 173 RCYH1VB : A 173 RCY C1V : A 130 RCY C1Z :(H bumps) USER MOD NoAdj-H: A 173 RCYH1VA : A 173 RCY C1V : A 130 RCY C1Y :(H bumps) USER MOD NoAdj-H: A 173 RCYH1SA : A 173 RCY C1S : A 73 CYS SG :(H bumps) USER MOD NoAdj-H: A 173 RCYH1MA : A 173 RCY C1M : A 71 GLU CA :(H bumps) USER MOD NoAdj-H: A 173 RCY H1V : A 173 RCY C1V : A 130 RCY C1Y :(H bumps) USER MOD NoAdj-H: A 173 RCY H1M : A 173 RCY C1M : A 71 GLU CA :(H bumps) USER MOD NoAdj-H: A 176 RCYH1ZB : A 176 RCY C1Z : A 70 TRP NE1 :(H bumps) USER MOD NoAdj-H: A 176 RCYH1ZA : A 176 RCY C1Z : A 70 TRP CE2 :(H bumps) USER MOD NoAdj-H: A 176 RCYH1YB : A 176 RCY C1Y : A 168 RCY C1V :(H bumps) USER MOD NoAdj-H: A 176 RCYH1YA : A 176 RCY C1Y : A 168 RCY C1V :(H bumps) USER MOD NoAdj-H: A 176 RCYH1SA : A 176 RCY C1S : A 76 CYS SG :(H bumps) USER MOD NoAdj-H: A 176 RCY H1Z : A 176 RCY C1Z : A 70 TRP CE2 :(H bumps) USER MOD NoAdj-H: A 176 RCY H1Y : A 176 RCY C1Y : A 168 RCY C1V :(H bumps) USER MOD NoAdj-H: A 187 RCYH1SA : A 187 RCY C1S : A 87 CYS SG :(H bumps) USER MOD NoAdj-H: A 187 RCY H1L : A 187 RCY C1L : A 87 CYS C :(H bumps) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -155:sc= -1.28! (180deg=-1.71!) USER MOD Single : A 2 ASN : amide:sc= -0.11 K(o=-0.11,f=-1.5) USER MOD Single : A 7 LYS NZ :NH3+ -173:sc= -1.95 (180deg=-2.19) USER MOD Single : A 12 SER OG : rot -54:sc= 0.82 USER MOD Single : A 14 THR OG1 : rot -18:sc= 0.0069 USER MOD Single : A 17 MET CE :methyl -160:sc= 0 (180deg=-0.000484) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ -142:sc= -0.311 (180deg=-1.39!) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 GLN : amide:sc= -5.14! C(o=-5.1!,f=-6.1!) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.247 USER MOD Single : A 37 GLN : amide:sc= -1.12 K(o=-1.1,f=-0.012) USER MOD Single : A 39 LYS NZ :NH3+ 162:sc= -0.0839 (180deg=-0.487) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ -164:sc= -0.0419 (180deg=-0.419) USER MOD Single : A 45 LYS NZ :NH3+ -154:sc= -0.0594 (180deg=-0.587) USER MOD Single : A 48 GLN : amide:sc= 0 K(o=0,f=-0.98!) USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= -0.0505 USER MOD Single : A 65 THR OG1 : rot -51:sc= 0.94 USER MOD Single : A 74 ASN : amide:sc= -3.84! K(o=-3.8!,f=-0.46) USER MOD Single : A 75 HIS : no HD1:sc= -3.24! C(o=-3.2!,f=-3.4!) USER MOD Single : A 79 HIS : no HD1:sc= -0.303 X(o=-0.3,f=-0.61) USER MOD Single : A 83 GLN : amide:sc= -3.91! K(o=-3.9!,f=-0.3) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 93.768 -3.304 16.971 1.00 1.00 N ATOM 2 CA MET A 1 92.759 -2.520 17.737 1.00 1.00 C ATOM 3 C MET A 1 93.278 -1.097 17.956 1.00 1.00 C ATOM 4 O MET A 1 92.627 -0.276 18.571 1.00 1.00 O ATOM 5 CB MET A 1 92.515 -3.188 19.093 1.00 1.00 C ATOM 6 CG MET A 1 92.344 -4.696 18.897 1.00 1.00 C ATOM 7 SD MET A 1 93.968 -5.462 18.671 1.00 1.00 S ATOM 8 CE MET A 1 94.342 -5.724 20.422 1.00 1.00 C ATOM 0 H1 MET A 1 93.294 -4.078 16.464 1.00 1.00 H new ATOM 0 H2 MET A 1 94.244 -2.682 16.287 1.00 1.00 H new ATOM 0 H3 MET A 1 94.471 -3.699 17.627 1.00 1.00 H new ATOM 0 HA MET A 1 91.825 -2.484 17.176 1.00 1.00 H new ATOM 0 HB2 MET A 1 93.352 -2.990 19.763 1.00 1.00 H new ATOM 0 HB3 MET A 1 91.625 -2.768 19.562 1.00 1.00 H new ATOM 0 HG2 MET A 1 91.842 -5.131 19.761 1.00 1.00 H new ATOM 0 HG3 MET A 1 91.714 -4.892 18.030 1.00 1.00 H new ATOM 0 HE1 MET A 1 95.320 -6.196 20.519 1.00 1.00 H new ATOM 0 HE2 MET A 1 94.349 -4.765 20.940 1.00 1.00 H new ATOM 0 HE3 MET A 1 93.582 -6.369 20.864 1.00 1.00 H new ATOM 17 N ASN A 2 94.447 -0.799 17.458 1.00 1.00 N ATOM 18 CA ASN A 2 95.006 0.570 17.638 1.00 1.00 C ATOM 19 C ASN A 2 94.058 1.596 17.014 1.00 1.00 C ATOM 20 O ASN A 2 94.250 2.035 15.898 1.00 1.00 O ATOM 21 CB ASN A 2 96.373 0.657 16.955 1.00 1.00 C ATOM 22 CG ASN A 2 96.923 2.078 17.092 1.00 1.00 C ATOM 23 OD1 ASN A 2 96.556 2.799 17.999 1.00 1.00 O ATOM 24 ND2 ASN A 2 97.795 2.514 16.224 1.00 1.00 N ATOM 0 H ASN A 2 95.039 -1.444 16.935 1.00 1.00 H new ATOM 0 HA ASN A 2 95.117 0.779 18.702 1.00 1.00 H new ATOM 0 HB2 ASN A 2 97.063 -0.056 17.406 1.00 1.00 H new ATOM 0 HB3 ASN A 2 96.283 0.391 15.902 1.00 1.00 H new ATOM 0 HD21 ASN A 2 98.168 3.460 16.307 1.00 1.00 H new ATOM 0 HD22 ASN A 2 98.103 1.909 15.463 1.00 1.00 H new ATOM 31 N LEU A 3 93.036 1.983 17.727 1.00 1.00 N ATOM 32 CA LEU A 3 92.076 2.981 17.177 1.00 1.00 C ATOM 33 C LEU A 3 91.346 3.669 18.333 1.00 1.00 C ATOM 34 O LEU A 3 90.508 3.082 18.987 1.00 1.00 O ATOM 35 CB LEU A 3 91.061 2.266 16.279 1.00 1.00 C ATOM 36 CG LEU A 3 90.112 3.293 15.659 1.00 1.00 C ATOM 37 CD1 LEU A 3 90.900 4.231 14.743 1.00 1.00 C ATOM 38 CD2 LEU A 3 89.041 2.567 14.842 1.00 1.00 C ATOM 0 H LEU A 3 92.824 1.651 18.668 1.00 1.00 H new ATOM 0 HA LEU A 3 92.614 3.727 16.592 1.00 1.00 H new ATOM 0 HB2 LEU A 3 91.579 1.715 15.494 1.00 1.00 H new ATOM 0 HB3 LEU A 3 90.496 1.538 16.860 1.00 1.00 H new ATOM 0 HG LEU A 3 89.638 3.873 16.451 1.00 1.00 H new ATOM 0 HD11 LEU A 3 90.223 4.962 14.302 1.00 1.00 H new ATOM 0 HD12 LEU A 3 91.665 4.748 15.323 1.00 1.00 H new ATOM 0 HD13 LEU A 3 91.375 3.652 13.951 1.00 1.00 H new ATOM 0 HD21 LEU A 3 88.364 3.297 14.399 1.00 1.00 H new ATOM 0 HD22 LEU A 3 89.517 1.988 14.051 1.00 1.00 H new ATOM 0 HD23 LEU A 3 88.478 1.898 15.493 1.00 1.00 H new ATOM 50 N GLU A 4 91.660 4.910 18.591 1.00 1.00 N ATOM 51 CA GLU A 4 90.984 5.630 19.707 1.00 1.00 C ATOM 52 C GLU A 4 89.594 6.091 19.248 1.00 1.00 C ATOM 53 O GLU A 4 89.438 6.596 18.154 1.00 1.00 O ATOM 54 CB GLU A 4 91.818 6.852 20.101 1.00 1.00 C ATOM 55 CG GLU A 4 93.264 6.423 20.360 1.00 1.00 C ATOM 56 CD GLU A 4 93.972 6.183 19.025 1.00 1.00 C ATOM 57 OE1 GLU A 4 93.897 7.053 18.173 1.00 1.00 O ATOM 58 OE2 GLU A 4 94.578 5.135 18.878 1.00 1.00 O ATOM 0 H GLU A 4 92.354 5.455 18.078 1.00 1.00 H new ATOM 0 HA GLU A 4 90.884 4.963 20.563 1.00 1.00 H new ATOM 0 HB2 GLU A 4 91.786 7.598 19.307 1.00 1.00 H new ATOM 0 HB3 GLU A 4 91.400 7.318 20.994 1.00 1.00 H new ATOM 0 HG2 GLU A 4 93.787 7.193 20.928 1.00 1.00 H new ATOM 0 HG3 GLU A 4 93.283 5.515 20.962 1.00 1.00 H new ATOM 65 N PRO A 5 88.588 5.926 20.075 1.00 1.00 N ATOM 66 CA PRO A 5 87.199 6.342 19.734 1.00 1.00 C ATOM 67 C PRO A 5 87.164 7.700 19.013 1.00 1.00 C ATOM 68 O PRO A 5 87.557 8.705 19.571 1.00 1.00 O ATOM 69 CB PRO A 5 86.520 6.446 21.100 1.00 1.00 C ATOM 70 CG PRO A 5 87.234 5.459 21.965 1.00 1.00 C ATOM 71 CD PRO A 5 88.662 5.331 21.420 1.00 1.00 C ATOM 0 HA PRO A 5 86.714 5.642 19.053 1.00 1.00 H new ATOM 0 HB2 PRO A 5 86.600 7.455 21.504 1.00 1.00 H new ATOM 0 HB3 PRO A 5 85.457 6.214 21.031 1.00 1.00 H new ATOM 0 HG2 PRO A 5 87.246 5.794 23.002 1.00 1.00 H new ATOM 0 HG3 PRO A 5 86.727 4.494 21.948 1.00 1.00 H new ATOM 0 HD2 PRO A 5 89.378 5.858 22.050 1.00 1.00 H new ATOM 0 HD3 PRO A 5 88.981 4.290 21.378 1.00 1.00 H new ATOM 79 N PRO A 6 86.702 7.738 17.786 1.00 1.00 N ATOM 80 CA PRO A 6 86.628 9.004 17.005 1.00 1.00 C ATOM 81 C PRO A 6 85.422 9.861 17.403 1.00 1.00 C ATOM 82 O PRO A 6 84.306 9.385 17.470 1.00 1.00 O ATOM 83 CB PRO A 6 86.496 8.522 15.560 1.00 1.00 C ATOM 84 CG PRO A 6 85.815 7.196 15.657 1.00 1.00 C ATOM 85 CD PRO A 6 86.204 6.590 17.011 1.00 1.00 C ATOM 0 HA PRO A 6 87.495 9.642 17.174 1.00 1.00 H new ATOM 0 HB2 PRO A 6 85.913 9.222 14.962 1.00 1.00 H new ATOM 0 HB3 PRO A 6 87.472 8.431 15.083 1.00 1.00 H new ATOM 0 HG2 PRO A 6 84.734 7.311 15.583 1.00 1.00 H new ATOM 0 HG3 PRO A 6 86.123 6.544 14.840 1.00 1.00 H new ATOM 0 HD2 PRO A 6 85.350 6.120 17.498 1.00 1.00 H new ATOM 0 HD3 PRO A 6 86.969 5.822 16.899 1.00 1.00 H new ATOM 93 N LYS A 7 85.638 11.121 17.666 1.00 1.00 N ATOM 94 CA LYS A 7 84.504 12.007 18.056 1.00 1.00 C ATOM 95 C LYS A 7 83.798 12.505 16.791 1.00 1.00 C ATOM 96 O LYS A 7 83.498 13.674 16.648 1.00 1.00 O ATOM 97 CB LYS A 7 85.031 13.201 18.872 1.00 1.00 C ATOM 98 CG LYS A 7 86.487 13.481 18.493 1.00 1.00 C ATOM 99 CD LYS A 7 87.415 12.665 19.394 1.00 1.00 C ATOM 100 CE LYS A 7 88.809 12.600 18.766 1.00 1.00 C ATOM 101 NZ LYS A 7 88.869 11.460 17.809 1.00 1.00 N ATOM 0 H LYS A 7 86.550 11.575 17.628 1.00 1.00 H new ATOM 0 HA LYS A 7 83.797 11.449 18.670 1.00 1.00 H new ATOM 0 HB2 LYS A 7 84.419 14.083 18.681 1.00 1.00 H new ATOM 0 HB3 LYS A 7 84.957 12.986 19.938 1.00 1.00 H new ATOM 0 HG2 LYS A 7 86.658 13.223 17.448 1.00 1.00 H new ATOM 0 HG3 LYS A 7 86.703 14.544 18.598 1.00 1.00 H new ATOM 0 HD2 LYS A 7 87.471 13.120 20.383 1.00 1.00 H new ATOM 0 HD3 LYS A 7 87.017 11.659 19.528 1.00 1.00 H new ATOM 0 HE2 LYS A 7 89.031 13.534 18.250 1.00 1.00 H new ATOM 0 HE3 LYS A 7 89.564 12.477 19.542 1.00 1.00 H new ATOM 0 HZ1 LYS A 7 89.845 11.341 17.471 1.00 1.00 H new ATOM 0 HZ2 LYS A 7 88.559 10.589 18.286 1.00 1.00 H new ATOM 0 HZ3 LYS A 7 88.244 11.652 17.000 1.00 1.00 H new ATOM 115 N ALA A 8 83.527 11.621 15.870 1.00 1.00 N ATOM 116 CA ALA A 8 82.839 12.033 14.615 1.00 1.00 C ATOM 117 C ALA A 8 81.617 12.889 14.964 1.00 1.00 C ATOM 118 O ALA A 8 81.702 14.097 15.063 1.00 1.00 O ATOM 119 CB ALA A 8 82.398 10.779 13.849 1.00 1.00 C ATOM 0 H ALA A 8 83.753 10.628 15.933 1.00 1.00 H new ATOM 0 HA ALA A 8 83.518 12.616 13.993 1.00 1.00 H new ATOM 0 HB1 ALA A 8 81.893 11.073 12.929 1.00 1.00 H new ATOM 0 HB2 ALA A 8 83.272 10.175 13.606 1.00 1.00 H new ATOM 0 HB3 ALA A 8 81.715 10.197 14.467 1.00 1.00 H new ATOM 125 N GLU A 9 80.483 12.271 15.152 1.00 1.00 N ATOM 126 CA GLU A 9 79.256 13.044 15.498 1.00 1.00 C ATOM 127 C GLU A 9 79.033 14.154 14.467 1.00 1.00 C ATOM 128 O GLU A 9 78.311 13.983 13.505 1.00 1.00 O ATOM 129 CB GLU A 9 79.417 13.663 16.888 1.00 1.00 C ATOM 130 CG GLU A 9 79.643 12.554 17.918 1.00 1.00 C ATOM 131 CD GLU A 9 78.331 11.806 18.159 1.00 1.00 C ATOM 132 OE1 GLU A 9 77.999 10.956 17.349 1.00 1.00 O ATOM 133 OE2 GLU A 9 77.680 12.095 19.150 1.00 1.00 O ATOM 0 H GLU A 9 80.353 11.262 15.081 1.00 1.00 H new ATOM 0 HA GLU A 9 78.397 12.373 15.495 1.00 1.00 H new ATOM 0 HB2 GLU A 9 80.258 14.356 16.894 1.00 1.00 H new ATOM 0 HB3 GLU A 9 78.528 14.238 17.147 1.00 1.00 H new ATOM 0 HG2 GLU A 9 80.408 11.863 17.562 1.00 1.00 H new ATOM 0 HG3 GLU A 9 80.008 12.980 18.853 1.00 1.00 H new ATOM 140 N CYS A 10 79.641 15.294 14.665 1.00 1.00 N ATOM 141 CA CYS A 10 79.462 16.420 13.704 1.00 1.00 C ATOM 142 C CYS A 10 77.978 16.564 13.356 1.00 1.00 C ATOM 143 O CYS A 10 77.113 16.163 14.109 1.00 1.00 O ATOM 144 CB CYS A 10 80.269 16.141 12.431 1.00 1.00 C ATOM 145 SG CYS A 10 79.294 15.107 11.310 1.00 1.00 S ATOM 0 H CYS A 10 80.256 15.494 15.454 1.00 1.00 H new ATOM 0 HA CYS A 10 79.816 17.346 14.158 1.00 1.00 H new ATOM 0 HB2 CYS A 10 80.531 17.079 11.941 1.00 1.00 H new ATOM 0 HB3 CYS A 10 81.204 15.641 12.683 1.00 1.00 H new ATOM 150 N ARG A 11 77.674 17.133 12.221 1.00 1.00 N ATOM 151 CA ARG A 11 76.245 17.300 11.832 1.00 1.00 C ATOM 152 C ARG A 11 76.143 17.492 10.316 1.00 1.00 C ATOM 153 O ARG A 11 75.281 16.932 9.668 1.00 1.00 O ATOM 154 CB ARG A 11 75.662 18.524 12.546 1.00 1.00 C ATOM 155 CG ARG A 11 76.727 19.618 12.636 1.00 1.00 C ATOM 156 CD ARG A 11 76.070 20.939 13.041 1.00 1.00 C ATOM 157 NE ARG A 11 75.431 21.562 11.848 1.00 1.00 N ATOM 158 CZ ARG A 11 74.492 22.455 12.003 1.00 1.00 C ATOM 159 NH1 ARG A 11 74.113 22.802 13.203 1.00 1.00 N ATOM 160 NH2 ARG A 11 73.932 23.001 10.958 1.00 1.00 N ATOM 0 H ARG A 11 78.352 17.489 11.547 1.00 1.00 H new ATOM 0 HA ARG A 11 75.685 16.411 12.120 1.00 1.00 H new ATOM 0 HB2 ARG A 11 74.791 18.893 12.005 1.00 1.00 H new ATOM 0 HB3 ARG A 11 75.323 18.248 13.545 1.00 1.00 H new ATOM 0 HG2 ARG A 11 77.488 19.340 13.365 1.00 1.00 H new ATOM 0 HG3 ARG A 11 77.231 19.730 11.676 1.00 1.00 H new ATOM 0 HD2 ARG A 11 75.324 20.764 13.816 1.00 1.00 H new ATOM 0 HD3 ARG A 11 76.815 21.614 13.462 1.00 1.00 H new ATOM 0 HE ARG A 11 75.727 21.291 10.910 1.00 1.00 H new ATOM 0 HH11 ARG A 11 74.551 22.375 14.019 1.00 1.00 H new ATOM 0 HH12 ARG A 11 73.379 23.500 13.324 1.00 1.00 H new ATOM 0 HH21 ARG A 11 74.228 22.730 10.020 1.00 1.00 H new ATOM 0 HH22 ARG A 11 73.198 23.699 11.079 1.00 1.00 H new ATOM 174 N SER A 12 77.013 18.279 9.746 1.00 1.00 N ATOM 175 CA SER A 12 76.960 18.504 8.274 1.00 1.00 C ATOM 176 C SER A 12 75.555 18.965 7.879 1.00 1.00 C ATOM 177 O SER A 12 74.801 19.455 8.696 1.00 1.00 O ATOM 178 CB SER A 12 77.291 17.200 7.547 1.00 1.00 C ATOM 179 OG SER A 12 76.118 16.403 7.455 1.00 1.00 O ATOM 0 H SER A 12 77.758 18.776 10.235 1.00 1.00 H new ATOM 0 HA SER A 12 77.685 19.269 7.997 1.00 1.00 H new ATOM 0 HB2 SER A 12 77.678 17.414 6.551 1.00 1.00 H new ATOM 0 HB3 SER A 12 78.071 16.659 8.083 1.00 1.00 H new ATOM 0 HG SER A 12 75.735 16.280 8.349 1.00 1.00 H new ATOM 185 N ALA A 13 75.199 18.811 6.630 1.00 1.00 N ATOM 186 CA ALA A 13 73.843 19.238 6.173 1.00 1.00 C ATOM 187 C ALA A 13 73.006 18.002 5.836 1.00 1.00 C ATOM 188 O ALA A 13 72.747 17.168 6.680 1.00 1.00 O ATOM 189 CB ALA A 13 73.981 20.115 4.926 1.00 1.00 C ATOM 0 H ALA A 13 75.791 18.407 5.905 1.00 1.00 H new ATOM 0 HA ALA A 13 73.353 19.804 6.965 1.00 1.00 H new ATOM 0 HB1 ALA A 13 72.992 20.428 4.590 1.00 1.00 H new ATOM 0 HB2 ALA A 13 74.579 20.995 5.164 1.00 1.00 H new ATOM 0 HB3 ALA A 13 74.470 19.547 4.134 1.00 1.00 H new ATOM 195 N THR A 14 72.581 17.878 4.606 1.00 1.00 N ATOM 196 CA THR A 14 71.761 16.696 4.210 1.00 1.00 C ATOM 197 C THR A 14 70.507 16.624 5.085 1.00 1.00 C ATOM 198 O THR A 14 70.579 16.396 6.276 1.00 1.00 O ATOM 199 CB THR A 14 72.584 15.417 4.385 1.00 1.00 C ATOM 200 OG1 THR A 14 72.562 15.025 5.750 1.00 1.00 O ATOM 201 CG2 THR A 14 74.028 15.673 3.949 1.00 1.00 C ATOM 0 H THR A 14 72.767 18.546 3.858 1.00 1.00 H new ATOM 0 HA THR A 14 71.467 16.795 3.165 1.00 1.00 H new ATOM 0 HB THR A 14 72.157 14.623 3.772 1.00 1.00 H new ATOM 0 HG1 THR A 14 72.283 15.784 6.304 1.00 1.00 H new ATOM 0 HG21 THR A 14 74.613 14.762 4.074 1.00 1.00 H new ATOM 0 HG22 THR A 14 74.044 15.973 2.901 1.00 1.00 H new ATOM 0 HG23 THR A 14 74.457 16.467 4.561 1.00 1.00 H new ATOM 209 N ARG A 15 69.356 16.815 4.501 1.00 1.00 N ATOM 210 CA ARG A 15 68.095 16.759 5.295 1.00 1.00 C ATOM 211 C ARG A 15 67.883 15.334 5.813 1.00 1.00 C ATOM 212 O ARG A 15 67.001 14.627 5.366 1.00 1.00 O ATOM 213 CB ARG A 15 66.914 17.157 4.406 1.00 1.00 C ATOM 214 CG ARG A 15 67.212 18.495 3.727 1.00 1.00 C ATOM 215 CD ARG A 15 66.215 18.724 2.589 1.00 1.00 C ATOM 216 NE ARG A 15 66.807 19.658 1.590 1.00 1.00 N ATOM 217 CZ ARG A 15 66.434 19.599 0.341 1.00 1.00 C ATOM 218 NH1 ARG A 15 65.543 18.723 -0.034 1.00 1.00 N ATOM 219 NH2 ARG A 15 66.952 20.417 -0.534 1.00 1.00 N ATOM 0 H ARG A 15 69.234 17.008 3.507 1.00 1.00 H new ATOM 0 HA ARG A 15 68.165 17.447 6.137 1.00 1.00 H new ATOM 0 HB2 ARG A 15 66.736 16.388 3.654 1.00 1.00 H new ATOM 0 HB3 ARG A 15 66.006 17.235 5.004 1.00 1.00 H new ATOM 0 HG2 ARG A 15 67.144 19.306 4.452 1.00 1.00 H new ATOM 0 HG3 ARG A 15 68.230 18.499 3.339 1.00 1.00 H new ATOM 0 HD2 ARG A 15 65.966 17.776 2.113 1.00 1.00 H new ATOM 0 HD3 ARG A 15 65.286 19.137 2.983 1.00 1.00 H new ATOM 0 HE ARG A 15 67.504 20.343 1.883 1.00 1.00 H new ATOM 0 HH11 ARG A 15 65.137 18.084 0.649 1.00 1.00 H new ATOM 0 HH12 ARG A 15 65.252 18.678 -1.011 1.00 1.00 H new ATOM 0 HH21 ARG A 15 67.648 21.102 -0.242 1.00 1.00 H new ATOM 0 HH22 ARG A 15 66.660 20.371 -1.510 1.00 1.00 H new ATOM 233 N VAL A 16 68.684 14.907 6.751 1.00 1.00 N ATOM 234 CA VAL A 16 68.531 13.528 7.298 1.00 1.00 C ATOM 235 C VAL A 16 67.723 13.578 8.597 1.00 1.00 C ATOM 236 O VAL A 16 67.810 14.522 9.357 1.00 1.00 O ATOM 237 CB VAL A 16 69.913 12.938 7.582 1.00 1.00 C ATOM 238 CG1 VAL A 16 69.758 11.571 8.250 1.00 1.00 C ATOM 239 CG2 VAL A 16 70.678 12.777 6.266 1.00 1.00 C ATOM 0 H VAL A 16 69.439 15.455 7.163 1.00 1.00 H new ATOM 0 HA VAL A 16 68.010 12.905 6.571 1.00 1.00 H new ATOM 0 HB VAL A 16 70.463 13.606 8.245 1.00 1.00 H new ATOM 0 HG11 VAL A 16 70.743 11.151 8.452 1.00 1.00 H new ATOM 0 HG12 VAL A 16 69.212 11.684 9.187 1.00 1.00 H new ATOM 0 HG13 VAL A 16 69.208 10.903 7.588 1.00 1.00 H new ATOM 0 HG21 VAL A 16 71.663 12.357 6.467 1.00 1.00 H new ATOM 0 HG22 VAL A 16 70.127 12.109 5.604 1.00 1.00 H new ATOM 0 HG23 VAL A 16 70.789 13.750 5.789 1.00 1.00 H new ATOM 249 N MET A 17 66.939 12.567 8.858 1.00 1.00 N ATOM 250 CA MET A 17 66.128 12.555 10.108 1.00 1.00 C ATOM 251 C MET A 17 65.728 11.115 10.439 1.00 1.00 C ATOM 252 O MET A 17 65.651 10.731 11.589 1.00 1.00 O ATOM 253 CB MET A 17 64.870 13.405 9.910 1.00 1.00 C ATOM 254 CG MET A 17 64.035 12.827 8.765 1.00 1.00 C ATOM 255 SD MET A 17 62.856 11.624 9.426 1.00 1.00 S ATOM 256 CE MET A 17 61.566 12.805 9.895 1.00 1.00 C ATOM 0 H MET A 17 66.825 11.749 8.259 1.00 1.00 H new ATOM 0 HA MET A 17 66.716 12.967 10.928 1.00 1.00 H new ATOM 0 HB2 MET A 17 64.283 13.423 10.828 1.00 1.00 H new ATOM 0 HB3 MET A 17 65.146 14.436 9.688 1.00 1.00 H new ATOM 0 HG2 MET A 17 63.504 13.626 8.248 1.00 1.00 H new ATOM 0 HG3 MET A 17 64.685 12.350 8.031 1.00 1.00 H new ATOM 0 HE1 MET A 17 60.905 12.348 10.632 1.00 1.00 H new ATOM 0 HE2 MET A 17 62.026 13.695 10.323 1.00 1.00 H new ATOM 0 HE3 MET A 17 60.989 13.083 9.013 1.00 1.00 H new ATOM 266 N GLY A 18 65.477 10.314 9.439 1.00 1.00 N ATOM 267 CA GLY A 18 65.087 8.897 9.694 1.00 1.00 C ATOM 268 C GLY A 18 63.568 8.797 9.843 1.00 1.00 C ATOM 269 O GLY A 18 62.828 8.973 8.896 1.00 1.00 O ATOM 0 H GLY A 18 65.525 10.580 8.455 1.00 1.00 H new ATOM 0 HA2 GLY A 18 65.424 8.264 8.873 1.00 1.00 H new ATOM 0 HA3 GLY A 18 65.575 8.533 10.598 1.00 1.00 H new ATOM 273 N GLY A 19 63.097 8.513 11.028 1.00 1.00 N ATOM 274 CA GLY A 19 61.625 8.397 11.242 1.00 1.00 C ATOM 275 C GLY A 19 61.202 6.934 11.091 1.00 1.00 C ATOM 276 O GLY A 19 61.962 6.106 10.629 1.00 1.00 O ATOM 0 H GLY A 19 63.669 8.356 11.858 1.00 1.00 H new ATOM 0 HA2 GLY A 19 61.361 8.763 12.234 1.00 1.00 H new ATOM 0 HA3 GLY A 19 61.092 9.017 10.521 1.00 1.00 H new ATOM 280 N PRO A 20 59.993 6.619 11.478 1.00 1.00 N ATOM 281 CA PRO A 20 59.452 5.233 11.387 1.00 1.00 C ATOM 282 C PRO A 20 59.790 4.562 10.051 1.00 1.00 C ATOM 283 O PRO A 20 59.262 4.918 9.016 1.00 1.00 O ATOM 284 CB PRO A 20 57.941 5.431 11.523 1.00 1.00 C ATOM 285 CG PRO A 20 57.782 6.676 12.331 1.00 1.00 C ATOM 286 CD PRO A 20 59.006 7.552 12.046 1.00 1.00 C ATOM 0 HA PRO A 20 59.878 4.578 12.147 1.00 1.00 H new ATOM 0 HB2 PRO A 20 57.467 5.532 10.546 1.00 1.00 H new ATOM 0 HB3 PRO A 20 57.475 4.578 12.017 1.00 1.00 H new ATOM 0 HG2 PRO A 20 56.863 7.197 12.061 1.00 1.00 H new ATOM 0 HG3 PRO A 20 57.715 6.441 13.393 1.00 1.00 H new ATOM 0 HD2 PRO A 20 58.768 8.354 11.347 1.00 1.00 H new ATOM 0 HD3 PRO A 20 59.380 8.022 12.956 1.00 1.00 H new ATOM 294 N CYS A 21 60.666 3.591 10.068 1.00 1.00 N ATOM 295 CA CYS A 21 61.040 2.892 8.804 1.00 1.00 C ATOM 296 C CYS A 21 60.388 1.508 8.776 1.00 1.00 C ATOM 297 O CYS A 21 60.792 0.606 9.482 1.00 1.00 O ATOM 298 CB CYS A 21 62.563 2.741 8.738 1.00 1.00 C ATOM 299 SG CYS A 21 63.288 4.243 8.036 1.00 1.00 S ATOM 0 H CYS A 21 61.139 3.252 10.905 1.00 1.00 H new ATOM 0 HA CYS A 21 60.695 3.474 7.949 1.00 1.00 H new ATOM 0 HB2 CYS A 21 62.965 2.562 9.735 1.00 1.00 H new ATOM 0 HB3 CYS A 21 62.827 1.877 8.128 1.00 1.00 H new ATOM 304 N THR A 22 59.382 1.332 7.960 1.00 1.00 N ATOM 305 CA THR A 22 58.703 0.006 7.881 1.00 1.00 C ATOM 306 C THR A 22 58.316 -0.278 6.424 1.00 1.00 C ATOM 307 O THR A 22 57.294 0.179 5.951 1.00 1.00 O ATOM 308 CB THR A 22 57.438 0.036 8.742 1.00 1.00 C ATOM 309 OG1 THR A 22 57.799 0.212 10.104 1.00 1.00 O ATOM 310 CG2 THR A 22 56.676 -1.280 8.580 1.00 1.00 C ATOM 0 H THR A 22 59.001 2.051 7.344 1.00 1.00 H new ATOM 0 HA THR A 22 59.375 -0.773 8.241 1.00 1.00 H new ATOM 0 HB THR A 22 56.802 0.862 8.424 1.00 1.00 H new ATOM 0 HG1 THR A 22 56.990 0.233 10.657 1.00 1.00 H new ATOM 0 HG21 THR A 22 55.776 -1.257 9.194 1.00 1.00 H new ATOM 0 HG22 THR A 22 56.399 -1.414 7.534 1.00 1.00 H new ATOM 0 HG23 THR A 22 57.310 -2.109 8.896 1.00 1.00 H new ATOM 318 N PRO A 23 59.123 -1.029 5.716 1.00 1.00 N ATOM 319 CA PRO A 23 58.851 -1.375 4.289 1.00 1.00 C ATOM 320 C PRO A 23 57.471 -2.012 4.096 1.00 1.00 C ATOM 321 O PRO A 23 56.621 -1.953 4.962 1.00 1.00 O ATOM 322 CB PRO A 23 59.957 -2.376 3.930 1.00 1.00 C ATOM 323 CG PRO A 23 61.051 -2.128 4.915 1.00 1.00 C ATOM 324 CD PRO A 23 60.380 -1.625 6.194 1.00 1.00 C ATOM 0 HA PRO A 23 58.849 -0.487 3.657 1.00 1.00 H new ATOM 0 HB2 PRO A 23 59.595 -3.402 3.995 1.00 1.00 H new ATOM 0 HB3 PRO A 23 60.306 -2.226 2.909 1.00 1.00 H new ATOM 0 HG2 PRO A 23 61.615 -3.041 5.106 1.00 1.00 H new ATOM 0 HG3 PRO A 23 61.758 -1.391 4.532 1.00 1.00 H new ATOM 0 HD2 PRO A 23 60.196 -2.438 6.896 1.00 1.00 H new ATOM 0 HD3 PRO A 23 61.000 -0.892 6.710 1.00 1.00 H new ATOM 332 N ARG A 24 57.247 -2.623 2.962 1.00 1.00 N ATOM 333 CA ARG A 24 55.929 -3.270 2.699 1.00 1.00 C ATOM 334 C ARG A 24 56.160 -4.604 1.985 1.00 1.00 C ATOM 335 O ARG A 24 55.523 -4.910 0.997 1.00 1.00 O ATOM 336 CB ARG A 24 55.080 -2.351 1.812 1.00 1.00 C ATOM 337 CG ARG A 24 54.476 -1.232 2.663 1.00 1.00 C ATOM 338 CD ARG A 24 54.149 -0.032 1.772 1.00 1.00 C ATOM 339 NE ARG A 24 53.181 -0.447 0.718 1.00 1.00 N ATOM 340 CZ ARG A 24 52.509 0.457 0.057 1.00 1.00 C ATOM 341 NH1 ARG A 24 52.686 1.723 0.320 1.00 1.00 N ATOM 342 NH2 ARG A 24 51.661 0.094 -0.866 1.00 1.00 N ATOM 0 H ARG A 24 57.924 -2.702 2.203 1.00 1.00 H new ATOM 0 HA ARG A 24 55.408 -3.445 3.640 1.00 1.00 H new ATOM 0 HB2 ARG A 24 55.694 -1.927 1.018 1.00 1.00 H new ATOM 0 HB3 ARG A 24 54.287 -2.924 1.331 1.00 1.00 H new ATOM 0 HG2 ARG A 24 53.573 -1.586 3.160 1.00 1.00 H new ATOM 0 HG3 ARG A 24 55.176 -0.938 3.445 1.00 1.00 H new ATOM 0 HD2 ARG A 24 53.727 0.775 2.371 1.00 1.00 H new ATOM 0 HD3 ARG A 24 55.060 0.353 1.313 1.00 1.00 H new ATOM 0 HE ARG A 24 53.043 -1.437 0.513 1.00 1.00 H new ATOM 0 HH11 ARG A 24 53.349 2.006 1.042 1.00 1.00 H new ATOM 0 HH12 ARG A 24 52.161 2.429 -0.196 1.00 1.00 H new ATOM 0 HH21 ARG A 24 51.523 -0.896 -1.071 1.00 1.00 H new ATOM 0 HH22 ARG A 24 51.136 0.800 -1.382 1.00 1.00 H new ATOM 356 N LYS A 25 57.073 -5.397 2.480 1.00 1.00 N ATOM 357 CA LYS A 25 57.359 -6.712 1.839 1.00 1.00 C ATOM 358 C LYS A 25 57.822 -6.490 0.396 1.00 1.00 C ATOM 359 O LYS A 25 58.992 -6.596 0.089 1.00 1.00 O ATOM 360 CB LYS A 25 56.095 -7.579 1.847 1.00 1.00 C ATOM 361 CG LYS A 25 56.469 -9.033 1.553 1.00 1.00 C ATOM 362 CD LYS A 25 56.906 -9.720 2.848 1.00 1.00 C ATOM 363 CE LYS A 25 55.693 -10.371 3.516 1.00 1.00 C ATOM 364 NZ LYS A 25 56.132 -11.100 4.740 1.00 1.00 N ATOM 0 H LYS A 25 57.635 -5.188 3.305 1.00 1.00 H new ATOM 0 HA LYS A 25 58.145 -7.220 2.397 1.00 1.00 H new ATOM 0 HB2 LYS A 25 55.600 -7.509 2.815 1.00 1.00 H new ATOM 0 HB3 LYS A 25 55.388 -7.216 1.101 1.00 1.00 H new ATOM 0 HG2 LYS A 25 55.618 -9.558 1.120 1.00 1.00 H new ATOM 0 HG3 LYS A 25 57.274 -9.071 0.819 1.00 1.00 H new ATOM 0 HD2 LYS A 25 57.664 -10.473 2.634 1.00 1.00 H new ATOM 0 HD3 LYS A 25 57.359 -8.993 3.522 1.00 1.00 H new ATOM 0 HE2 LYS A 25 54.956 -9.611 3.777 1.00 1.00 H new ATOM 0 HE3 LYS A 25 55.209 -11.060 2.823 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 55.308 -11.543 5.195 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 56.820 -11.835 4.478 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 56.575 -10.431 5.402 1.00 1.00 H new ATOM 378 N GLY A 26 56.916 -6.181 -0.491 1.00 1.00 N ATOM 379 CA GLY A 26 57.312 -5.952 -1.909 1.00 1.00 C ATOM 380 C GLY A 26 57.737 -7.280 -2.544 1.00 1.00 C ATOM 381 O GLY A 26 57.332 -8.339 -2.107 1.00 1.00 O ATOM 0 H GLY A 26 55.920 -6.077 -0.295 1.00 1.00 H new ATOM 0 HA2 GLY A 26 56.479 -5.521 -2.465 1.00 1.00 H new ATOM 0 HA3 GLY A 26 58.132 -5.235 -1.957 1.00 1.00 H new ATOM 385 N PRO A 27 58.547 -7.225 -3.571 1.00 1.00 N ATOM 386 CA PRO A 27 59.033 -8.446 -4.279 1.00 1.00 C ATOM 387 C PRO A 27 59.539 -9.513 -3.299 1.00 1.00 C ATOM 388 O PRO A 27 59.859 -9.216 -2.165 1.00 1.00 O ATOM 389 CB PRO A 27 60.178 -7.922 -5.152 1.00 1.00 C ATOM 390 CG PRO A 27 59.856 -6.485 -5.397 1.00 1.00 C ATOM 391 CD PRO A 27 59.086 -5.993 -4.170 1.00 1.00 C ATOM 0 HA PRO A 27 58.243 -8.934 -4.850 1.00 1.00 H new ATOM 0 HB2 PRO A 27 61.139 -8.030 -4.648 1.00 1.00 H new ATOM 0 HB3 PRO A 27 60.245 -8.476 -6.088 1.00 1.00 H new ATOM 0 HG2 PRO A 27 60.766 -5.903 -5.542 1.00 1.00 H new ATOM 0 HG3 PRO A 27 59.258 -6.371 -6.301 1.00 1.00 H new ATOM 0 HD2 PRO A 27 59.738 -5.463 -3.475 1.00 1.00 H new ATOM 0 HD3 PRO A 27 58.290 -5.303 -4.449 1.00 1.00 H new ATOM 399 N PRO A 28 59.610 -10.747 -3.731 1.00 1.00 N ATOM 400 CA PRO A 28 60.083 -11.869 -2.878 1.00 1.00 C ATOM 401 C PRO A 28 61.242 -11.454 -1.964 1.00 1.00 C ATOM 402 O PRO A 28 61.884 -10.445 -2.179 1.00 1.00 O ATOM 403 CB PRO A 28 60.538 -12.911 -3.898 1.00 1.00 C ATOM 404 CG PRO A 28 59.664 -12.690 -5.090 1.00 1.00 C ATOM 405 CD PRO A 28 59.252 -11.212 -5.081 1.00 1.00 C ATOM 0 HA PRO A 28 59.310 -12.230 -2.200 1.00 1.00 H new ATOM 0 HB2 PRO A 28 61.591 -12.783 -4.151 1.00 1.00 H new ATOM 0 HB3 PRO A 28 60.425 -13.922 -3.507 1.00 1.00 H new ATOM 0 HG2 PRO A 28 60.197 -12.936 -6.009 1.00 1.00 H new ATOM 0 HG3 PRO A 28 58.786 -13.335 -5.048 1.00 1.00 H new ATOM 0 HD2 PRO A 28 59.779 -10.647 -5.850 1.00 1.00 H new ATOM 0 HD3 PRO A 28 58.186 -11.094 -5.273 1.00 1.00 H new ATOM 413 N LYS A 29 61.508 -12.222 -0.943 1.00 1.00 N ATOM 414 CA LYS A 29 62.619 -11.871 -0.014 1.00 1.00 C ATOM 415 C LYS A 29 63.916 -11.684 -0.806 1.00 1.00 C ATOM 416 O LYS A 29 63.910 -11.609 -2.018 1.00 1.00 O ATOM 417 CB LYS A 29 62.801 -12.996 1.008 1.00 1.00 C ATOM 418 CG LYS A 29 62.684 -14.349 0.304 1.00 1.00 C ATOM 419 CD LYS A 29 63.149 -15.459 1.250 1.00 1.00 C ATOM 420 CE LYS A 29 62.663 -16.812 0.727 1.00 1.00 C ATOM 421 NZ LYS A 29 63.342 -17.907 1.477 1.00 1.00 N ATOM 0 H LYS A 29 61.004 -13.078 -0.712 1.00 1.00 H new ATOM 0 HA LYS A 29 62.378 -10.943 0.504 1.00 1.00 H new ATOM 0 HB2 LYS A 29 63.774 -12.909 1.491 1.00 1.00 H new ATOM 0 HB3 LYS A 29 62.047 -12.915 1.791 1.00 1.00 H new ATOM 0 HG2 LYS A 29 61.652 -14.525 -0.000 1.00 1.00 H new ATOM 0 HG3 LYS A 29 63.289 -14.353 -0.603 1.00 1.00 H new ATOM 0 HD2 LYS A 29 64.236 -15.456 1.325 1.00 1.00 H new ATOM 0 HD3 LYS A 29 62.760 -15.284 2.253 1.00 1.00 H new ATOM 0 HE2 LYS A 29 61.582 -16.892 0.844 1.00 1.00 H new ATOM 0 HE3 LYS A 29 62.876 -16.900 -0.338 1.00 1.00 H new ATOM 0 HZ1 LYS A 29 63.012 -18.827 1.122 1.00 1.00 H new ATOM 0 HZ2 LYS A 29 64.371 -17.833 1.344 1.00 1.00 H new ATOM 0 HZ3 LYS A 29 63.117 -17.826 2.489 1.00 1.00 H new ATOM 435 N CYS A 30 65.028 -11.606 -0.127 1.00 1.00 N ATOM 436 CA CYS A 30 66.324 -11.421 -0.837 1.00 1.00 C ATOM 437 C CYS A 30 67.474 -11.823 0.090 1.00 1.00 C ATOM 438 O CYS A 30 67.340 -11.822 1.298 1.00 1.00 O ATOM 439 CB CYS A 30 66.478 -9.951 -1.237 1.00 1.00 C ATOM 440 SG CYS A 30 68.210 -9.612 -1.637 1.00 1.00 S ATOM 0 H CYS A 30 65.094 -11.663 0.889 1.00 1.00 H new ATOM 0 HA CYS A 30 66.344 -12.045 -1.731 1.00 1.00 H new ATOM 0 HB2 CYS A 30 65.845 -9.729 -2.096 1.00 1.00 H new ATOM 0 HB3 CYS A 30 66.149 -9.305 -0.423 1.00 1.00 H new ATOM 445 N LYS A 31 68.604 -12.171 -0.466 1.00 1.00 N ATOM 446 CA LYS A 31 69.761 -12.576 0.381 1.00 1.00 C ATOM 447 C LYS A 31 71.063 -12.159 -0.313 1.00 1.00 C ATOM 448 O LYS A 31 71.265 -11.001 -0.621 1.00 1.00 O ATOM 449 CB LYS A 31 69.734 -14.095 0.570 1.00 1.00 C ATOM 450 CG LYS A 31 69.399 -14.773 -0.760 1.00 1.00 C ATOM 451 CD LYS A 31 70.142 -16.107 -0.855 1.00 1.00 C ATOM 452 CE LYS A 31 69.598 -16.911 -2.038 1.00 1.00 C ATOM 453 NZ LYS A 31 68.126 -17.083 -1.887 1.00 1.00 N ATOM 0 H LYS A 31 68.775 -12.192 -1.471 1.00 1.00 H new ATOM 0 HA LYS A 31 69.701 -12.090 1.355 1.00 1.00 H new ATOM 0 HB2 LYS A 31 70.701 -14.443 0.934 1.00 1.00 H new ATOM 0 HB3 LYS A 31 68.994 -14.365 1.323 1.00 1.00 H new ATOM 0 HG2 LYS A 31 68.324 -14.937 -0.836 1.00 1.00 H new ATOM 0 HG3 LYS A 31 69.682 -14.127 -1.591 1.00 1.00 H new ATOM 0 HD2 LYS A 31 71.210 -15.932 -0.981 1.00 1.00 H new ATOM 0 HD3 LYS A 31 70.018 -16.671 0.069 1.00 1.00 H new ATOM 0 HE2 LYS A 31 69.821 -16.398 -2.973 1.00 1.00 H new ATOM 0 HE3 LYS A 31 70.086 -17.885 -2.085 1.00 1.00 H new ATOM 0 HZ1 LYS A 31 67.853 -18.034 -2.207 1.00 1.00 H new ATOM 0 HZ2 LYS A 31 67.863 -16.965 -0.888 1.00 1.00 H new ATOM 0 HZ3 LYS A 31 67.632 -16.370 -2.461 1.00 1.00 H new ATOM 467 N GLN A 32 71.946 -13.089 -0.566 1.00 1.00 N ATOM 468 CA GLN A 32 73.230 -12.738 -1.241 1.00 1.00 C ATOM 469 C GLN A 32 73.809 -13.987 -1.910 1.00 1.00 C ATOM 470 O GLN A 32 73.324 -15.085 -1.722 1.00 1.00 O ATOM 471 CB GLN A 32 74.228 -12.211 -0.205 1.00 1.00 C ATOM 472 CG GLN A 32 73.779 -10.833 0.286 1.00 1.00 C ATOM 473 CD GLN A 32 74.943 -10.138 0.994 1.00 1.00 C ATOM 474 OE1 GLN A 32 75.309 -10.507 2.092 1.00 1.00 O ATOM 475 NE2 GLN A 32 75.545 -9.140 0.407 1.00 1.00 N ATOM 0 H GLN A 32 71.834 -14.076 -0.334 1.00 1.00 H new ATOM 0 HA GLN A 32 73.046 -11.970 -1.992 1.00 1.00 H new ATOM 0 HB2 GLN A 32 74.296 -12.903 0.634 1.00 1.00 H new ATOM 0 HB3 GLN A 32 75.223 -12.145 -0.645 1.00 1.00 H new ATOM 0 HG2 GLN A 32 73.439 -10.229 -0.555 1.00 1.00 H new ATOM 0 HG3 GLN A 32 72.934 -10.936 0.967 1.00 1.00 H new ATOM 0 HE21 GLN A 32 75.238 -8.830 -0.515 1.00 1.00 H new ATOM 0 HE22 GLN A 32 76.323 -8.670 0.870 1.00 1.00 H new ATOM 484 N ARG A 33 74.847 -13.829 -2.687 1.00 1.00 N ATOM 485 CA ARG A 33 75.458 -15.009 -3.364 1.00 1.00 C ATOM 486 C ARG A 33 76.290 -15.798 -2.349 1.00 1.00 C ATOM 487 O ARG A 33 77.152 -16.576 -2.708 1.00 1.00 O ATOM 488 CB ARG A 33 76.362 -14.535 -4.508 1.00 1.00 C ATOM 489 CG ARG A 33 75.528 -14.356 -5.778 1.00 1.00 C ATOM 490 CD ARG A 33 74.502 -13.242 -5.562 1.00 1.00 C ATOM 491 NE ARG A 33 74.382 -12.429 -6.805 1.00 1.00 N ATOM 492 CZ ARG A 33 73.967 -12.983 -7.910 1.00 1.00 C ATOM 493 NH1 ARG A 33 73.655 -14.251 -7.928 1.00 1.00 N ATOM 494 NH2 ARG A 33 73.862 -12.271 -8.999 1.00 1.00 N ATOM 0 H ARG A 33 75.298 -12.935 -2.882 1.00 1.00 H new ATOM 0 HA ARG A 33 74.671 -15.646 -3.767 1.00 1.00 H new ATOM 0 HB2 ARG A 33 76.842 -13.594 -4.240 1.00 1.00 H new ATOM 0 HB3 ARG A 33 77.157 -15.260 -4.682 1.00 1.00 H new ATOM 0 HG2 ARG A 33 76.176 -14.110 -6.620 1.00 1.00 H new ATOM 0 HG3 ARG A 33 75.021 -15.288 -6.027 1.00 1.00 H new ATOM 0 HD2 ARG A 33 73.534 -13.670 -5.300 1.00 1.00 H new ATOM 0 HD3 ARG A 33 74.807 -12.609 -4.729 1.00 1.00 H new ATOM 0 HE ARG A 33 74.625 -11.438 -6.791 1.00 1.00 H new ATOM 0 HH11 ARG A 33 73.736 -14.808 -7.078 1.00 1.00 H new ATOM 0 HH12 ARG A 33 73.330 -14.684 -8.793 1.00 1.00 H new ATOM 0 HH21 ARG A 33 74.105 -11.280 -8.986 1.00 1.00 H new ATOM 0 HH22 ARG A 33 73.537 -12.705 -9.863 1.00 1.00 H new ATOM 508 N GLN A 34 76.040 -15.602 -1.083 1.00 1.00 N ATOM 509 CA GLN A 34 76.816 -16.339 -0.046 1.00 1.00 C ATOM 510 C GLN A 34 78.312 -16.107 -0.265 1.00 1.00 C ATOM 511 O GLN A 34 79.131 -16.955 0.028 1.00 1.00 O ATOM 512 CB GLN A 34 76.512 -17.836 -0.144 1.00 1.00 C ATOM 513 CG GLN A 34 75.009 -18.044 -0.343 1.00 1.00 C ATOM 514 CD GLN A 34 74.695 -18.098 -1.839 1.00 1.00 C ATOM 515 OE1 GLN A 34 75.365 -18.780 -2.589 1.00 1.00 O ATOM 516 NE2 GLN A 34 73.696 -17.402 -2.309 1.00 1.00 N ATOM 0 H GLN A 34 75.332 -14.963 -0.722 1.00 1.00 H new ATOM 0 HA GLN A 34 76.533 -15.976 0.942 1.00 1.00 H new ATOM 0 HB2 GLN A 34 77.063 -18.275 -0.975 1.00 1.00 H new ATOM 0 HB3 GLN A 34 76.843 -18.344 0.762 1.00 1.00 H new ATOM 0 HG2 GLN A 34 74.692 -18.969 0.140 1.00 1.00 H new ATOM 0 HG3 GLN A 34 74.453 -17.232 0.127 1.00 1.00 H new ATOM 0 HE21 GLN A 34 73.133 -16.829 -1.680 1.00 1.00 H new ATOM 0 HE22 GLN A 34 73.478 -17.431 -3.305 1.00 1.00 H new ATOM 525 N THR A 35 78.675 -14.964 -0.777 1.00 1.00 N ATOM 526 CA THR A 35 80.118 -14.679 -1.011 1.00 1.00 C ATOM 527 C THR A 35 80.779 -14.300 0.315 1.00 1.00 C ATOM 528 O THR A 35 81.147 -15.151 1.101 1.00 1.00 O ATOM 529 CB THR A 35 80.255 -13.519 -2.001 1.00 1.00 C ATOM 530 OG1 THR A 35 79.433 -12.440 -1.580 1.00 1.00 O ATOM 531 CG2 THR A 35 79.822 -13.980 -3.394 1.00 1.00 C ATOM 0 H THR A 35 78.035 -14.215 -1.043 1.00 1.00 H new ATOM 0 HA THR A 35 80.604 -15.564 -1.422 1.00 1.00 H new ATOM 0 HB THR A 35 81.294 -13.192 -2.036 1.00 1.00 H new ATOM 0 HG1 THR A 35 79.521 -11.696 -2.212 1.00 1.00 H new ATOM 0 HG21 THR A 35 79.920 -13.153 -4.098 1.00 1.00 H new ATOM 0 HG22 THR A 35 80.454 -14.808 -3.716 1.00 1.00 H new ATOM 0 HG23 THR A 35 78.783 -14.308 -3.362 1.00 1.00 H new ATOM 539 N ARG A 36 80.930 -13.030 0.572 1.00 1.00 N ATOM 540 CA ARG A 36 81.564 -12.599 1.849 1.00 1.00 C ATOM 541 C ARG A 36 81.512 -11.072 1.949 1.00 1.00 C ATOM 542 O ARG A 36 81.289 -10.517 3.006 1.00 1.00 O ATOM 543 CB ARG A 36 83.025 -13.076 1.884 1.00 1.00 C ATOM 544 CG ARG A 36 83.322 -13.714 3.242 1.00 1.00 C ATOM 545 CD ARG A 36 84.773 -14.198 3.273 1.00 1.00 C ATOM 546 NE ARG A 36 85.677 -13.042 3.533 1.00 1.00 N ATOM 547 CZ ARG A 36 85.804 -12.572 4.743 1.00 1.00 C ATOM 548 NH1 ARG A 36 85.140 -13.115 5.727 1.00 1.00 N ATOM 549 NH2 ARG A 36 86.596 -11.560 4.971 1.00 1.00 N ATOM 0 H ARG A 36 80.642 -12.272 -0.047 1.00 1.00 H new ATOM 0 HA ARG A 36 81.027 -13.034 2.691 1.00 1.00 H new ATOM 0 HB2 ARG A 36 83.203 -13.796 1.085 1.00 1.00 H new ATOM 0 HB3 ARG A 36 83.697 -12.236 1.710 1.00 1.00 H new ATOM 0 HG2 ARG A 36 83.152 -12.991 4.040 1.00 1.00 H new ATOM 0 HG3 ARG A 36 82.645 -14.550 3.419 1.00 1.00 H new ATOM 0 HD2 ARG A 36 84.899 -14.954 4.049 1.00 1.00 H new ATOM 0 HD3 ARG A 36 85.031 -14.669 2.324 1.00 1.00 H new ATOM 0 HE ARG A 36 86.197 -12.618 2.764 1.00 1.00 H new ATOM 0 HH11 ARG A 36 84.522 -13.907 5.550 1.00 1.00 H new ATOM 0 HH12 ARG A 36 85.239 -12.748 6.673 1.00 1.00 H new ATOM 0 HH21 ARG A 36 87.116 -11.136 4.203 1.00 1.00 H new ATOM 0 HH22 ARG A 36 86.695 -11.193 5.917 1.00 1.00 H new ATOM 563 N GLN A 37 81.714 -10.395 0.854 1.00 1.00 N ATOM 564 CA GLN A 37 81.678 -8.904 0.874 1.00 1.00 C ATOM 565 C GLN A 37 81.851 -8.370 -0.550 1.00 1.00 C ATOM 566 O GLN A 37 81.805 -7.179 -0.785 1.00 1.00 O ATOM 567 CB GLN A 37 82.812 -8.374 1.756 1.00 1.00 C ATOM 568 CG GLN A 37 84.152 -8.890 1.229 1.00 1.00 C ATOM 569 CD GLN A 37 85.279 -8.422 2.152 1.00 1.00 C ATOM 570 OE1 GLN A 37 86.396 -8.225 1.715 1.00 1.00 O ATOM 571 NE2 GLN A 37 85.032 -8.233 3.419 1.00 1.00 N ATOM 0 H GLN A 37 81.903 -10.810 -0.058 1.00 1.00 H new ATOM 0 HA GLN A 37 80.721 -8.572 1.275 1.00 1.00 H new ATOM 0 HB2 GLN A 37 82.806 -7.284 1.759 1.00 1.00 H new ATOM 0 HB3 GLN A 37 82.666 -8.696 2.787 1.00 1.00 H new ATOM 0 HG2 GLN A 37 84.139 -9.979 1.177 1.00 1.00 H new ATOM 0 HG3 GLN A 37 84.322 -8.524 0.216 1.00 1.00 H new ATOM 0 HE21 GLN A 37 84.095 -8.398 3.786 1.00 1.00 H new ATOM 0 HE22 GLN A 37 85.776 -7.920 4.043 1.00 1.00 H new ATOM 580 N CYS A 38 82.053 -9.244 -1.499 1.00 1.00 N ATOM 581 CA CYS A 38 82.234 -8.797 -2.911 1.00 1.00 C ATOM 582 C CYS A 38 83.632 -8.198 -3.083 1.00 1.00 C ATOM 583 O CYS A 38 83.908 -7.102 -2.636 1.00 1.00 O ATOM 584 CB CYS A 38 81.175 -7.745 -3.258 1.00 1.00 C ATOM 585 SG CYS A 38 80.796 -7.833 -5.026 1.00 1.00 S ATOM 0 H CYS A 38 82.101 -10.253 -1.357 1.00 1.00 H new ATOM 0 HA CYS A 38 82.123 -9.652 -3.578 1.00 1.00 H new ATOM 0 HB2 CYS A 38 80.272 -7.916 -2.672 1.00 1.00 H new ATOM 0 HB3 CYS A 38 81.538 -6.750 -3.002 1.00 1.00 H new ATOM 590 N LYS A 39 84.516 -8.912 -3.727 1.00 1.00 N ATOM 591 CA LYS A 39 85.899 -8.391 -3.932 1.00 1.00 C ATOM 592 C LYS A 39 86.485 -9.007 -5.204 1.00 1.00 C ATOM 593 O LYS A 39 87.669 -9.264 -5.295 1.00 1.00 O ATOM 594 CB LYS A 39 86.774 -8.771 -2.732 1.00 1.00 C ATOM 595 CG LYS A 39 86.667 -10.275 -2.472 1.00 1.00 C ATOM 596 CD LYS A 39 85.601 -10.535 -1.406 1.00 1.00 C ATOM 597 CE LYS A 39 85.457 -12.041 -1.184 1.00 1.00 C ATOM 598 NZ LYS A 39 86.746 -12.596 -0.683 1.00 1.00 N ATOM 0 H LYS A 39 84.340 -9.836 -4.121 1.00 1.00 H new ATOM 0 HA LYS A 39 85.870 -7.306 -4.028 1.00 1.00 H new ATOM 0 HB2 LYS A 39 87.812 -8.498 -2.925 1.00 1.00 H new ATOM 0 HB3 LYS A 39 86.458 -8.216 -1.849 1.00 1.00 H new ATOM 0 HG2 LYS A 39 86.409 -10.797 -3.394 1.00 1.00 H new ATOM 0 HG3 LYS A 39 87.629 -10.667 -2.142 1.00 1.00 H new ATOM 0 HD2 LYS A 39 85.878 -10.044 -0.473 1.00 1.00 H new ATOM 0 HD3 LYS A 39 84.647 -10.110 -1.719 1.00 1.00 H new ATOM 0 HE2 LYS A 39 84.661 -12.239 -0.467 1.00 1.00 H new ATOM 0 HE3 LYS A 39 85.176 -12.531 -2.116 1.00 1.00 H new ATOM 0 HZ1 LYS A 39 86.578 -13.526 -0.249 1.00 1.00 H new ATOM 0 HZ2 LYS A 39 87.411 -12.699 -1.476 1.00 1.00 H new ATOM 0 HZ3 LYS A 39 87.150 -11.951 0.026 1.00 1.00 H new ATOM 612 N SER A 40 85.660 -9.252 -6.183 1.00 1.00 N ATOM 613 CA SER A 40 86.153 -9.860 -7.452 1.00 1.00 C ATOM 614 C SER A 40 87.452 -9.179 -7.895 1.00 1.00 C ATOM 615 O SER A 40 88.531 -9.712 -7.728 1.00 1.00 O ATOM 616 CB SER A 40 85.095 -9.689 -8.542 1.00 1.00 C ATOM 617 OG SER A 40 83.989 -10.535 -8.259 1.00 1.00 O ATOM 0 H SER A 40 84.659 -9.056 -6.159 1.00 1.00 H new ATOM 0 HA SER A 40 86.345 -10.920 -7.286 1.00 1.00 H new ATOM 0 HB2 SER A 40 84.770 -8.650 -8.590 1.00 1.00 H new ATOM 0 HB3 SER A 40 85.517 -9.936 -9.516 1.00 1.00 H new ATOM 0 HG SER A 40 83.308 -10.427 -8.955 1.00 1.00 H new ATOM 623 N LYS A 41 87.357 -8.011 -8.471 1.00 1.00 N ATOM 624 CA LYS A 41 88.587 -7.308 -8.936 1.00 1.00 C ATOM 625 C LYS A 41 89.442 -6.901 -7.729 1.00 1.00 C ATOM 626 O LYS A 41 88.935 -6.730 -6.638 1.00 1.00 O ATOM 627 CB LYS A 41 88.188 -6.056 -9.720 1.00 1.00 C ATOM 628 CG LYS A 41 87.337 -6.458 -10.926 1.00 1.00 C ATOM 629 CD LYS A 41 86.622 -5.224 -11.481 1.00 1.00 C ATOM 630 CE LYS A 41 85.866 -5.602 -12.756 1.00 1.00 C ATOM 631 NZ LYS A 41 84.900 -4.521 -13.100 1.00 1.00 N ATOM 0 H LYS A 41 86.482 -7.514 -8.639 1.00 1.00 H new ATOM 0 HA LYS A 41 89.164 -7.976 -9.576 1.00 1.00 H new ATOM 0 HB2 LYS A 41 87.629 -5.375 -9.078 1.00 1.00 H new ATOM 0 HB3 LYS A 41 89.079 -5.523 -10.052 1.00 1.00 H new ATOM 0 HG2 LYS A 41 87.966 -6.904 -11.696 1.00 1.00 H new ATOM 0 HG3 LYS A 41 86.607 -7.213 -10.634 1.00 1.00 H new ATOM 0 HD2 LYS A 41 85.929 -4.828 -10.739 1.00 1.00 H new ATOM 0 HD3 LYS A 41 87.345 -4.437 -11.694 1.00 1.00 H new ATOM 0 HE2 LYS A 41 86.568 -5.752 -13.577 1.00 1.00 H new ATOM 0 HE3 LYS A 41 85.337 -6.544 -12.612 1.00 1.00 H new ATOM 0 HZ1 LYS A 41 84.386 -4.778 -13.967 1.00 1.00 H new ATOM 0 HZ2 LYS A 41 84.224 -4.399 -12.320 1.00 1.00 H new ATOM 0 HZ3 LYS A 41 85.415 -3.631 -13.254 1.00 1.00 H new ATOM 645 N PRO A 42 90.732 -6.736 -7.920 1.00 1.00 N ATOM 646 CA PRO A 42 91.658 -6.331 -6.820 1.00 1.00 C ATOM 647 C PRO A 42 91.339 -4.921 -6.304 1.00 1.00 C ATOM 648 O PRO A 42 90.614 -4.175 -6.932 1.00 1.00 O ATOM 649 CB PRO A 42 93.058 -6.364 -7.460 1.00 1.00 C ATOM 650 CG PRO A 42 92.902 -7.079 -8.764 1.00 1.00 C ATOM 651 CD PRO A 42 91.443 -6.919 -9.192 1.00 1.00 C ATOM 0 HA PRO A 42 91.572 -6.992 -5.958 1.00 1.00 H new ATOM 0 HB2 PRO A 42 93.441 -5.355 -7.612 1.00 1.00 H new ATOM 0 HB3 PRO A 42 93.769 -6.880 -6.815 1.00 1.00 H new ATOM 0 HG2 PRO A 42 93.572 -6.661 -9.515 1.00 1.00 H new ATOM 0 HG3 PRO A 42 93.159 -8.133 -8.659 1.00 1.00 H new ATOM 0 HD2 PRO A 42 91.310 -6.063 -9.853 1.00 1.00 H new ATOM 0 HD3 PRO A 42 91.084 -7.796 -9.730 1.00 1.00 H new ATOM 659 N PRO A 43 91.880 -4.558 -5.170 1.00 1.00 N ATOM 660 CA PRO A 43 91.651 -3.213 -4.566 1.00 1.00 C ATOM 661 C PRO A 43 92.392 -2.107 -5.328 1.00 1.00 C ATOM 662 O PRO A 43 93.595 -2.155 -5.494 1.00 1.00 O ATOM 663 CB PRO A 43 92.202 -3.355 -3.143 1.00 1.00 C ATOM 664 CG PRO A 43 93.222 -4.442 -3.225 1.00 1.00 C ATOM 665 CD PRO A 43 92.769 -5.387 -4.341 1.00 1.00 C ATOM 0 HA PRO A 43 90.600 -2.925 -4.594 1.00 1.00 H new ATOM 0 HB2 PRO A 43 92.648 -2.422 -2.798 1.00 1.00 H new ATOM 0 HB3 PRO A 43 91.411 -3.610 -2.438 1.00 1.00 H new ATOM 0 HG2 PRO A 43 94.208 -4.032 -3.442 1.00 1.00 H new ATOM 0 HG3 PRO A 43 93.299 -4.973 -2.276 1.00 1.00 H new ATOM 0 HD2 PRO A 43 93.616 -5.761 -4.916 1.00 1.00 H new ATOM 0 HD3 PRO A 43 92.246 -6.256 -3.941 1.00 1.00 H new ATOM 673 N LYS A 44 91.680 -1.114 -5.792 1.00 1.00 N ATOM 674 CA LYS A 44 92.333 -0.002 -6.546 1.00 1.00 C ATOM 675 C LYS A 44 91.813 1.339 -6.019 1.00 1.00 C ATOM 676 O LYS A 44 92.569 2.156 -5.538 1.00 1.00 O ATOM 677 CB LYS A 44 91.994 -0.135 -8.039 1.00 1.00 C ATOM 678 CG LYS A 44 93.107 -0.906 -8.752 1.00 1.00 C ATOM 679 CD LYS A 44 94.227 0.060 -9.145 1.00 1.00 C ATOM 680 CE LYS A 44 95.261 -0.676 -9.998 1.00 1.00 C ATOM 681 NZ LYS A 44 95.853 -1.792 -9.207 1.00 1.00 N ATOM 0 H LYS A 44 90.670 -1.024 -5.681 1.00 1.00 H new ATOM 0 HA LYS A 44 93.414 -0.050 -6.413 1.00 1.00 H new ATOM 0 HB2 LYS A 44 91.043 -0.653 -8.161 1.00 1.00 H new ATOM 0 HB3 LYS A 44 91.879 0.853 -8.485 1.00 1.00 H new ATOM 0 HG2 LYS A 44 93.498 -1.687 -8.100 1.00 1.00 H new ATOM 0 HG3 LYS A 44 92.711 -1.400 -9.639 1.00 1.00 H new ATOM 0 HD2 LYS A 44 93.816 0.903 -9.700 1.00 1.00 H new ATOM 0 HD3 LYS A 44 94.701 0.467 -8.252 1.00 1.00 H new ATOM 0 HE2 LYS A 44 94.792 -1.065 -10.902 1.00 1.00 H new ATOM 0 HE3 LYS A 44 96.043 0.013 -10.316 1.00 1.00 H new ATOM 0 HZ1 LYS A 44 96.727 -2.117 -9.666 1.00 1.00 H new ATOM 0 HZ2 LYS A 44 96.070 -1.459 -8.246 1.00 1.00 H new ATOM 0 HZ3 LYS A 44 95.175 -2.579 -9.156 1.00 1.00 H new ATOM 695 N LYS A 45 90.526 1.560 -6.113 1.00 1.00 N ATOM 696 CA LYS A 45 89.918 2.839 -5.628 1.00 1.00 C ATOM 697 C LYS A 45 90.031 3.908 -6.722 1.00 1.00 C ATOM 698 O LYS A 45 91.007 3.976 -7.442 1.00 1.00 O ATOM 699 CB LYS A 45 90.596 3.296 -4.312 1.00 1.00 C ATOM 700 CG LYS A 45 91.655 4.360 -4.606 1.00 1.00 C ATOM 701 CD LYS A 45 91.041 5.752 -4.440 1.00 1.00 C ATOM 702 CE LYS A 45 92.155 6.798 -4.378 1.00 1.00 C ATOM 703 NZ LYS A 45 92.905 6.650 -3.099 1.00 1.00 N ATOM 0 H LYS A 45 89.860 0.898 -6.511 1.00 1.00 H new ATOM 0 HA LYS A 45 88.861 2.681 -5.412 1.00 1.00 H new ATOM 0 HB2 LYS A 45 89.847 3.697 -3.629 1.00 1.00 H new ATOM 0 HB3 LYS A 45 91.056 2.442 -3.816 1.00 1.00 H new ATOM 0 HG2 LYS A 45 92.502 4.242 -3.930 1.00 1.00 H new ATOM 0 HG3 LYS A 45 92.037 4.238 -5.620 1.00 1.00 H new ATOM 0 HD2 LYS A 45 90.372 5.967 -5.273 1.00 1.00 H new ATOM 0 HD3 LYS A 45 90.441 5.790 -3.531 1.00 1.00 H new ATOM 0 HE2 LYS A 45 92.831 6.676 -5.224 1.00 1.00 H new ATOM 0 HE3 LYS A 45 91.732 7.800 -4.450 1.00 1.00 H new ATOM 0 HZ1 LYS A 45 93.334 7.561 -2.841 1.00 1.00 H new ATOM 0 HZ2 LYS A 45 92.253 6.349 -2.347 1.00 1.00 H new ATOM 0 HZ3 LYS A 45 93.652 5.936 -3.215 1.00 1.00 H new ATOM 717 N GLY A 46 89.024 4.734 -6.858 1.00 1.00 N ATOM 718 CA GLY A 46 89.052 5.796 -7.908 1.00 1.00 C ATOM 719 C GLY A 46 87.781 5.703 -8.756 1.00 1.00 C ATOM 720 O GLY A 46 87.410 4.643 -9.220 1.00 1.00 O ATOM 0 H GLY A 46 88.181 4.718 -6.284 1.00 1.00 H new ATOM 0 HA2 GLY A 46 89.122 6.780 -7.444 1.00 1.00 H new ATOM 0 HA3 GLY A 46 89.933 5.677 -8.539 1.00 1.00 H new ATOM 724 N VAL A 47 87.109 6.804 -8.962 1.00 1.00 N ATOM 725 CA VAL A 47 85.861 6.774 -9.779 1.00 1.00 C ATOM 726 C VAL A 47 86.224 6.707 -11.264 1.00 1.00 C ATOM 727 O VAL A 47 85.540 7.254 -12.106 1.00 1.00 O ATOM 728 CB VAL A 47 85.043 8.039 -9.506 1.00 1.00 C ATOM 729 CG1 VAL A 47 83.585 7.801 -9.905 1.00 1.00 C ATOM 730 CG2 VAL A 47 85.114 8.379 -8.016 1.00 1.00 C ATOM 0 H VAL A 47 87.370 7.722 -8.601 1.00 1.00 H new ATOM 0 HA VAL A 47 85.272 5.897 -9.512 1.00 1.00 H new ATOM 0 HB VAL A 47 85.448 8.866 -10.089 1.00 1.00 H new ATOM 0 HG11 VAL A 47 83.003 8.702 -9.711 1.00 1.00 H new ATOM 0 HG12 VAL A 47 83.533 7.558 -10.966 1.00 1.00 H new ATOM 0 HG13 VAL A 47 83.179 6.974 -9.323 1.00 1.00 H new ATOM 0 HG21 VAL A 47 84.532 9.280 -7.820 1.00 1.00 H new ATOM 0 HG22 VAL A 47 84.709 7.551 -7.434 1.00 1.00 H new ATOM 0 HG23 VAL A 47 86.152 8.549 -7.731 1.00 1.00 H new ATOM 740 N GLN A 48 87.295 6.039 -11.590 1.00 1.00 N ATOM 741 CA GLN A 48 87.704 5.933 -13.020 1.00 1.00 C ATOM 742 C GLN A 48 86.486 5.577 -13.876 1.00 1.00 C ATOM 743 O GLN A 48 86.174 6.249 -14.839 1.00 1.00 O ATOM 744 CB GLN A 48 88.765 4.840 -13.166 1.00 1.00 C ATOM 745 CG GLN A 48 89.119 4.666 -14.644 1.00 1.00 C ATOM 746 CD GLN A 48 90.373 3.799 -14.771 1.00 1.00 C ATOM 747 OE1 GLN A 48 90.742 3.105 -13.845 1.00 1.00 O ATOM 748 NE2 GLN A 48 91.048 3.810 -15.887 1.00 1.00 N ATOM 0 H GLN A 48 87.906 5.561 -10.928 1.00 1.00 H new ATOM 0 HA GLN A 48 88.114 6.887 -13.352 1.00 1.00 H new ATOM 0 HB2 GLN A 48 89.656 5.105 -12.597 1.00 1.00 H new ATOM 0 HB3 GLN A 48 88.393 3.900 -12.757 1.00 1.00 H new ATOM 0 HG2 GLN A 48 88.288 4.202 -15.175 1.00 1.00 H new ATOM 0 HG3 GLN A 48 89.289 5.639 -15.105 1.00 1.00 H new ATOM 0 HE21 GLN A 48 90.738 4.393 -16.665 1.00 1.00 H new ATOM 0 HE22 GLN A 48 91.886 3.236 -15.982 1.00 1.00 H new ATOM 757 N GLY A 49 85.795 4.524 -13.531 1.00 1.00 N ATOM 758 CA GLY A 49 84.596 4.124 -14.323 1.00 1.00 C ATOM 759 C GLY A 49 83.651 3.308 -13.439 1.00 1.00 C ATOM 760 O GLY A 49 83.491 2.119 -13.620 1.00 1.00 O ATOM 0 H GLY A 49 86.009 3.923 -12.735 1.00 1.00 H new ATOM 0 HA2 GLY A 49 84.084 5.009 -14.701 1.00 1.00 H new ATOM 0 HA3 GLY A 49 84.899 3.537 -15.190 1.00 1.00 H new ATOM 764 N CYS A 50 83.028 3.943 -12.482 1.00 1.00 N ATOM 765 CA CYS A 50 82.093 3.214 -11.578 1.00 1.00 C ATOM 766 C CYS A 50 82.854 2.109 -10.839 1.00 1.00 C ATOM 767 O CYS A 50 83.581 1.337 -11.433 1.00 1.00 O ATOM 768 CB CYS A 50 80.950 2.605 -12.401 1.00 1.00 C ATOM 769 SG CYS A 50 81.329 0.876 -12.779 1.00 1.00 S ATOM 0 H CYS A 50 83.127 4.939 -12.287 1.00 1.00 H new ATOM 0 HA CYS A 50 81.675 3.908 -10.849 1.00 1.00 H new ATOM 0 HB2 CYS A 50 80.014 2.670 -11.846 1.00 1.00 H new ATOM 0 HB3 CYS A 50 80.813 3.168 -13.324 1.00 1.00 H new ATOM 774 N GLY A 51 82.695 2.031 -9.547 1.00 1.00 N ATOM 775 CA GLY A 51 83.411 0.980 -8.769 1.00 1.00 C ATOM 776 C GLY A 51 83.507 1.410 -7.305 1.00 1.00 C ATOM 777 O GLY A 51 82.940 2.406 -6.903 1.00 1.00 O ATOM 0 H GLY A 51 82.100 2.649 -8.996 1.00 1.00 H new ATOM 0 HA2 GLY A 51 82.882 0.030 -8.847 1.00 1.00 H new ATOM 0 HA3 GLY A 51 84.408 0.824 -9.180 1.00 1.00 H new ATOM 781 N ASP A 52 84.221 0.668 -6.504 1.00 1.00 N ATOM 782 CA ASP A 52 84.352 1.035 -5.066 1.00 1.00 C ATOM 783 C ASP A 52 85.267 0.026 -4.366 1.00 1.00 C ATOM 784 O ASP A 52 84.889 -1.103 -4.124 1.00 1.00 O ATOM 785 CB ASP A 52 82.965 1.017 -4.406 1.00 1.00 C ATOM 786 CG ASP A 52 82.394 2.436 -4.377 1.00 1.00 C ATOM 787 OD1 ASP A 52 83.043 3.303 -3.816 1.00 1.00 O ATOM 788 OD2 ASP A 52 81.317 2.631 -4.916 1.00 1.00 O ATOM 0 H ASP A 52 84.720 -0.177 -6.783 1.00 1.00 H new ATOM 0 HA ASP A 52 84.780 2.034 -4.981 1.00 1.00 H new ATOM 0 HB2 ASP A 52 82.297 0.356 -4.958 1.00 1.00 H new ATOM 0 HB3 ASP A 52 83.038 0.622 -3.393 1.00 1.00 H new ATOM 793 N ASP A 53 86.466 0.423 -4.037 1.00 1.00 N ATOM 794 CA ASP A 53 87.396 -0.519 -3.351 1.00 1.00 C ATOM 795 C ASP A 53 86.735 -1.031 -2.070 1.00 1.00 C ATOM 796 O ASP A 53 86.557 -2.218 -1.886 1.00 1.00 O ATOM 797 CB ASP A 53 88.702 0.209 -3.006 1.00 1.00 C ATOM 798 CG ASP A 53 89.724 -0.020 -4.121 1.00 1.00 C ATOM 799 OD1 ASP A 53 89.307 -0.308 -5.231 1.00 1.00 O ATOM 800 OD2 ASP A 53 90.907 0.097 -3.846 1.00 1.00 O ATOM 0 H ASP A 53 86.841 1.355 -4.213 1.00 1.00 H new ATOM 0 HA ASP A 53 87.619 -1.360 -4.007 1.00 1.00 H new ATOM 0 HB2 ASP A 53 88.515 1.276 -2.883 1.00 1.00 H new ATOM 0 HB3 ASP A 53 89.095 -0.157 -2.057 1.00 1.00 H new ATOM 805 N ILE A 54 86.365 -0.145 -1.185 1.00 1.00 N ATOM 806 CA ILE A 54 85.711 -0.583 0.081 1.00 1.00 C ATOM 807 C ILE A 54 84.625 -1.618 -0.244 1.00 1.00 C ATOM 808 O ILE A 54 83.601 -1.285 -0.806 1.00 1.00 O ATOM 809 CB ILE A 54 85.071 0.629 0.768 1.00 1.00 C ATOM 810 CG1 ILE A 54 84.182 1.370 -0.233 1.00 1.00 C ATOM 811 CG2 ILE A 54 86.167 1.571 1.269 1.00 1.00 C ATOM 812 CD1 ILE A 54 82.727 1.316 0.238 1.00 1.00 C ATOM 0 H ILE A 54 86.487 0.863 -1.284 1.00 1.00 H new ATOM 0 HA ILE A 54 86.454 -1.027 0.744 1.00 1.00 H new ATOM 0 HB ILE A 54 84.469 0.292 1.612 1.00 1.00 H new ATOM 0 HG12 ILE A 54 84.507 2.406 -0.326 1.00 1.00 H new ATOM 0 HG13 ILE A 54 84.273 0.917 -1.220 1.00 1.00 H new ATOM 0 HG21 ILE A 54 85.711 2.432 1.757 1.00 1.00 H new ATOM 0 HG22 ILE A 54 86.802 1.044 1.981 1.00 1.00 H new ATOM 0 HG23 ILE A 54 86.770 1.909 0.426 1.00 1.00 H new ATOM 0 HD11 ILE A 54 82.094 1.844 -0.475 1.00 1.00 H new ATOM 0 HD12 ILE A 54 82.406 0.277 0.309 1.00 1.00 H new ATOM 0 HD13 ILE A 54 82.644 1.789 1.217 1.00 1.00 H new ATOM 824 N PRO A 55 84.842 -2.868 0.093 1.00 1.00 N ATOM 825 CA PRO A 55 83.857 -3.948 -0.185 1.00 1.00 C ATOM 826 C PRO A 55 82.720 -3.966 0.841 1.00 1.00 C ATOM 827 O PRO A 55 82.421 -4.983 1.437 1.00 1.00 O ATOM 828 CB PRO A 55 84.697 -5.222 -0.097 1.00 1.00 C ATOM 829 CG PRO A 55 85.784 -4.897 0.875 1.00 1.00 C ATOM 830 CD PRO A 55 86.041 -3.389 0.770 1.00 1.00 C ATOM 0 HA PRO A 55 83.363 -3.822 -1.148 1.00 1.00 H new ATOM 0 HB2 PRO A 55 84.099 -6.067 0.246 1.00 1.00 H new ATOM 0 HB3 PRO A 55 85.105 -5.495 -1.070 1.00 1.00 H new ATOM 0 HG2 PRO A 55 85.489 -5.169 1.889 1.00 1.00 H new ATOM 0 HG3 PRO A 55 86.689 -5.460 0.645 1.00 1.00 H new ATOM 0 HD2 PRO A 55 86.172 -2.937 1.753 1.00 1.00 H new ATOM 0 HD3 PRO A 55 86.945 -3.177 0.199 1.00 1.00 H new ATOM 838 N GLY A 56 82.085 -2.846 1.051 1.00 1.00 N ATOM 839 CA GLY A 56 80.970 -2.797 2.037 1.00 1.00 C ATOM 840 C GLY A 56 81.536 -2.897 3.454 1.00 1.00 C ATOM 841 O GLY A 56 80.873 -3.355 4.361 1.00 1.00 O ATOM 0 H GLY A 56 82.290 -1.963 0.583 1.00 1.00 H new ATOM 0 HA2 GLY A 56 80.410 -1.869 1.923 1.00 1.00 H new ATOM 0 HA3 GLY A 56 80.273 -3.615 1.854 1.00 1.00 H new ATOM 845 N MET A 57 82.760 -2.470 3.642 1.00 1.00 N ATOM 846 CA MET A 57 83.398 -2.530 4.994 1.00 1.00 C ATOM 847 C MET A 57 83.530 -3.989 5.444 1.00 1.00 C ATOM 848 O MET A 57 84.568 -4.407 5.919 1.00 1.00 O ATOM 849 CB MET A 57 82.559 -1.745 6.012 1.00 1.00 C ATOM 850 CG MET A 57 82.848 -0.250 5.866 1.00 1.00 C ATOM 851 SD MET A 57 81.731 0.688 6.938 1.00 1.00 S ATOM 852 CE MET A 57 80.670 1.354 5.632 1.00 1.00 C ATOM 0 H MET A 57 83.351 -2.078 2.909 1.00 1.00 H new ATOM 0 HA MET A 57 84.390 -2.082 4.935 1.00 1.00 H new ATOM 0 HB2 MET A 57 81.498 -1.939 5.852 1.00 1.00 H new ATOM 0 HB3 MET A 57 82.794 -2.075 7.024 1.00 1.00 H new ATOM 0 HG2 MET A 57 83.884 -0.041 6.131 1.00 1.00 H new ATOM 0 HG3 MET A 57 82.717 0.057 4.828 1.00 1.00 H new ATOM 0 HE1 MET A 57 79.894 1.977 6.076 1.00 1.00 H new ATOM 0 HE2 MET A 57 81.269 1.954 4.947 1.00 1.00 H new ATOM 0 HE3 MET A 57 80.207 0.533 5.085 1.00 1.00 H new ATOM 862 N GLU A 58 82.495 -4.769 5.300 1.00 1.00 N ATOM 863 CA GLU A 58 82.571 -6.195 5.720 1.00 1.00 C ATOM 864 C GLU A 58 81.258 -6.898 5.371 1.00 1.00 C ATOM 865 O GLU A 58 80.870 -7.860 6.004 1.00 1.00 O ATOM 866 CB GLU A 58 82.807 -6.271 7.231 1.00 1.00 C ATOM 867 CG GLU A 58 81.903 -5.261 7.940 1.00 1.00 C ATOM 868 CD GLU A 58 81.871 -5.568 9.439 1.00 1.00 C ATOM 869 OE1 GLU A 58 82.606 -6.446 9.859 1.00 1.00 O ATOM 870 OE2 GLU A 58 81.111 -4.921 10.140 1.00 1.00 O ATOM 0 H GLU A 58 81.599 -4.479 4.909 1.00 1.00 H new ATOM 0 HA GLU A 58 83.395 -6.684 5.200 1.00 1.00 H new ATOM 0 HB2 GLU A 58 82.598 -7.278 7.592 1.00 1.00 H new ATOM 0 HB3 GLU A 58 83.852 -6.061 7.458 1.00 1.00 H new ATOM 0 HG2 GLU A 58 82.270 -4.248 7.773 1.00 1.00 H new ATOM 0 HG3 GLU A 58 80.895 -5.306 7.527 1.00 1.00 H new ATOM 877 N GLY A 59 80.571 -6.426 4.368 1.00 1.00 N ATOM 878 CA GLY A 59 79.284 -7.067 3.978 1.00 1.00 C ATOM 879 C GLY A 59 78.296 -6.980 5.143 1.00 1.00 C ATOM 880 O GLY A 59 77.848 -7.982 5.665 1.00 1.00 O ATOM 0 H GLY A 59 80.845 -5.624 3.801 1.00 1.00 H new ATOM 0 HA2 GLY A 59 78.871 -6.572 3.099 1.00 1.00 H new ATOM 0 HA3 GLY A 59 79.452 -8.109 3.707 1.00 1.00 H new ATOM 884 N CYS A 60 77.952 -5.791 5.554 1.00 1.00 N ATOM 885 CA CYS A 60 76.992 -5.643 6.684 1.00 1.00 C ATOM 886 C CYS A 60 75.577 -5.954 6.187 1.00 1.00 C ATOM 887 O CYS A 60 74.597 -5.637 6.831 1.00 1.00 O ATOM 888 CB CYS A 60 77.066 -4.207 7.226 1.00 1.00 C ATOM 889 SG CYS A 60 75.556 -3.311 6.787 1.00 1.00 S ATOM 0 H CYS A 60 78.294 -4.916 5.157 1.00 1.00 H new ATOM 0 HA CYS A 60 77.246 -6.337 7.485 1.00 1.00 H new ATOM 0 HB2 CYS A 60 77.189 -4.223 8.309 1.00 1.00 H new ATOM 0 HB3 CYS A 60 77.936 -3.697 6.813 1.00 1.00 H new ATOM 894 N GLY A 61 75.476 -6.578 5.039 1.00 1.00 N ATOM 895 CA GLY A 61 74.140 -6.926 4.463 1.00 1.00 C ATOM 896 C GLY A 61 73.109 -7.141 5.575 1.00 1.00 C ATOM 897 O GLY A 61 71.963 -6.769 5.442 1.00 1.00 O ATOM 0 H GLY A 61 76.272 -6.864 4.470 1.00 1.00 H new ATOM 0 HA2 GLY A 61 73.806 -6.128 3.800 1.00 1.00 H new ATOM 0 HA3 GLY A 61 74.223 -7.829 3.858 1.00 1.00 H new ATOM 901 N THR A 62 73.506 -7.736 6.667 1.00 1.00 N ATOM 902 CA THR A 62 72.543 -7.972 7.784 1.00 1.00 C ATOM 903 C THR A 62 71.653 -6.738 7.971 1.00 1.00 C ATOM 904 O THR A 62 70.489 -6.845 8.303 1.00 1.00 O ATOM 905 CB THR A 62 73.320 -8.239 9.077 1.00 1.00 C ATOM 906 OG1 THR A 62 73.669 -7.002 9.681 1.00 1.00 O ATOM 907 CG2 THR A 62 74.590 -9.030 8.758 1.00 1.00 C ATOM 0 H THR A 62 74.455 -8.069 6.835 1.00 1.00 H new ATOM 0 HA THR A 62 71.919 -8.833 7.546 1.00 1.00 H new ATOM 0 HB THR A 62 72.699 -8.816 9.762 1.00 1.00 H new ATOM 0 HG1 THR A 62 74.165 -7.171 10.509 1.00 1.00 H new ATOM 0 HG21 THR A 62 75.142 -9.219 9.679 1.00 1.00 H new ATOM 0 HG22 THR A 62 74.321 -9.979 8.295 1.00 1.00 H new ATOM 0 HG23 THR A 62 75.214 -8.456 8.073 1.00 1.00 H new ATOM 915 N ASP A 63 72.193 -5.570 7.759 1.00 1.00 N ATOM 916 CA ASP A 63 71.384 -4.328 7.922 1.00 1.00 C ATOM 917 C ASP A 63 70.353 -4.228 6.794 1.00 1.00 C ATOM 918 O ASP A 63 69.725 -3.206 6.605 1.00 1.00 O ATOM 919 CB ASP A 63 72.309 -3.110 7.874 1.00 1.00 C ATOM 920 CG ASP A 63 71.510 -1.848 8.206 1.00 1.00 C ATOM 921 OD1 ASP A 63 71.240 -1.632 9.376 1.00 1.00 O ATOM 922 OD2 ASP A 63 71.182 -1.119 7.284 1.00 1.00 O ATOM 0 H ASP A 63 73.162 -5.421 7.479 1.00 1.00 H new ATOM 0 HA ASP A 63 70.866 -4.359 8.881 1.00 1.00 H new ATOM 0 HB2 ASP A 63 73.127 -3.233 8.584 1.00 1.00 H new ATOM 0 HB3 ASP A 63 72.757 -3.019 6.885 1.00 1.00 H new ATOM 927 N ILE A 64 70.176 -5.279 6.040 1.00 1.00 N ATOM 928 CA ILE A 64 69.187 -5.239 4.923 1.00 1.00 C ATOM 929 C ILE A 64 67.833 -5.729 5.418 1.00 1.00 C ATOM 930 O ILE A 64 66.813 -5.477 4.806 1.00 1.00 O ATOM 931 CB ILE A 64 69.652 -6.156 3.789 1.00 1.00 C ATOM 932 CG1 ILE A 64 68.631 -6.115 2.650 1.00 1.00 C ATOM 933 CG2 ILE A 64 69.776 -7.589 4.309 1.00 1.00 C ATOM 934 CD1 ILE A 64 69.189 -6.859 1.436 1.00 1.00 C ATOM 0 H ILE A 64 70.673 -6.163 6.148 1.00 1.00 H new ATOM 0 HA ILE A 64 69.103 -4.214 4.563 1.00 1.00 H new ATOM 0 HB ILE A 64 70.621 -5.817 3.423 1.00 1.00 H new ATOM 0 HG12 ILE A 64 67.695 -6.572 2.971 1.00 1.00 H new ATOM 0 HG13 ILE A 64 68.407 -5.082 2.385 1.00 1.00 H new ATOM 0 HG21 ILE A 64 70.107 -8.242 3.501 1.00 1.00 H new ATOM 0 HG22 ILE A 64 70.502 -7.620 5.121 1.00 1.00 H new ATOM 0 HG23 ILE A 64 68.807 -7.928 4.676 1.00 1.00 H new ATOM 0 HD11 ILE A 64 68.461 -6.829 0.625 1.00 1.00 H new ATOM 0 HD12 ILE A 64 70.114 -6.383 1.111 1.00 1.00 H new ATOM 0 HD13 ILE A 64 69.390 -7.896 1.705 1.00 1.00 H new ATOM 946 N THR A 65 67.811 -6.450 6.504 1.00 1.00 N ATOM 947 CA THR A 65 66.514 -6.979 7.005 1.00 1.00 C ATOM 948 C THR A 65 65.766 -7.558 5.806 1.00 1.00 C ATOM 949 O THR A 65 64.553 -7.598 5.769 1.00 1.00 O ATOM 950 CB THR A 65 65.696 -5.846 7.634 1.00 1.00 C ATOM 951 OG1 THR A 65 64.894 -5.233 6.635 1.00 1.00 O ATOM 952 CG2 THR A 65 66.641 -4.808 8.242 1.00 1.00 C ATOM 0 H THR A 65 68.629 -6.694 7.062 1.00 1.00 H new ATOM 0 HA THR A 65 66.676 -7.744 7.765 1.00 1.00 H new ATOM 0 HB THR A 65 65.055 -6.251 8.417 1.00 1.00 H new ATOM 0 HG1 THR A 65 65.452 -5.002 5.864 1.00 1.00 H new ATOM 0 HG21 THR A 65 66.058 -4.003 8.689 1.00 1.00 H new ATOM 0 HG22 THR A 65 67.255 -5.280 9.009 1.00 1.00 H new ATOM 0 HG23 THR A 65 67.284 -4.400 7.462 1.00 1.00 H new ATOM 960 N VAL A 66 66.507 -7.979 4.811 1.00 1.00 N ATOM 961 CA VAL A 66 65.894 -8.535 3.574 1.00 1.00 C ATOM 962 C VAL A 66 65.281 -7.383 2.775 1.00 1.00 C ATOM 963 O VAL A 66 65.326 -7.357 1.561 1.00 1.00 O ATOM 964 CB VAL A 66 64.813 -9.564 3.930 1.00 1.00 C ATOM 965 CG1 VAL A 66 64.511 -10.432 2.707 1.00 1.00 C ATOM 966 CG2 VAL A 66 65.312 -10.451 5.073 1.00 1.00 C ATOM 0 H VAL A 66 67.527 -7.959 4.808 1.00 1.00 H new ATOM 0 HA VAL A 66 66.657 -9.037 2.979 1.00 1.00 H new ATOM 0 HB VAL A 66 63.906 -9.045 4.240 1.00 1.00 H new ATOM 0 HG11 VAL A 66 63.743 -11.163 2.960 1.00 1.00 H new ATOM 0 HG12 VAL A 66 64.157 -9.801 1.892 1.00 1.00 H new ATOM 0 HG13 VAL A 66 65.418 -10.951 2.396 1.00 1.00 H new ATOM 0 HG21 VAL A 66 64.545 -11.183 5.327 1.00 1.00 H new ATOM 0 HG22 VAL A 66 66.219 -10.969 4.762 1.00 1.00 H new ATOM 0 HG23 VAL A 66 65.528 -9.834 5.945 1.00 1.00 H new ATOM 976 N ILE A 67 64.729 -6.418 3.459 1.00 1.00 N ATOM 977 CA ILE A 67 64.125 -5.238 2.769 1.00 1.00 C ATOM 978 C ILE A 67 64.501 -3.967 3.534 1.00 1.00 C ATOM 979 O ILE A 67 63.937 -3.671 4.569 1.00 1.00 O ATOM 980 CB ILE A 67 62.599 -5.372 2.734 1.00 1.00 C ATOM 981 CG1 ILE A 67 62.221 -6.723 2.122 1.00 1.00 C ATOM 982 CG2 ILE A 67 62.006 -4.246 1.885 1.00 1.00 C ATOM 983 CD1 ILE A 67 62.595 -6.734 0.639 1.00 1.00 C ATOM 0 H ILE A 67 64.669 -6.395 4.477 1.00 1.00 H new ATOM 0 HA ILE A 67 64.502 -5.187 1.747 1.00 1.00 H new ATOM 0 HB ILE A 67 62.206 -5.308 3.749 1.00 1.00 H new ATOM 0 HG12 ILE A 67 62.738 -7.528 2.644 1.00 1.00 H new ATOM 0 HG13 ILE A 67 61.152 -6.901 2.240 1.00 1.00 H new ATOM 0 HG21 ILE A 67 60.921 -4.342 1.860 1.00 1.00 H new ATOM 0 HG22 ILE A 67 62.276 -3.283 2.318 1.00 1.00 H new ATOM 0 HG23 ILE A 67 62.399 -4.310 0.870 1.00 1.00 H new ATOM 0 HD11 ILE A 67 62.326 -7.696 0.203 1.00 1.00 H new ATOM 0 HD12 ILE A 67 62.058 -5.939 0.122 1.00 1.00 H new ATOM 0 HD13 ILE A 67 63.668 -6.575 0.533 1.00 1.00 H new ATOM 995 N CYS A 68 65.443 -3.211 3.041 1.00 1.00 N ATOM 996 CA CYS A 68 65.844 -1.960 3.751 1.00 1.00 C ATOM 997 C CYS A 68 65.210 -0.753 3.053 1.00 1.00 C ATOM 998 O CYS A 68 64.924 -0.789 1.873 1.00 1.00 O ATOM 999 CB CYS A 68 67.369 -1.829 3.726 1.00 1.00 C ATOM 1000 SG CYS A 68 68.005 -2.488 2.165 1.00 1.00 S ATOM 0 H CYS A 68 65.953 -3.404 2.179 1.00 1.00 H new ATOM 0 HA CYS A 68 65.502 -1.999 4.785 1.00 1.00 H new ATOM 0 HB2 CYS A 68 67.657 -0.783 3.836 1.00 1.00 H new ATOM 0 HB3 CYS A 68 67.805 -2.370 4.566 1.00 1.00 H new ATOM 1005 N PRO A 69 64.986 0.314 3.778 1.00 1.00 N ATOM 1006 CA PRO A 69 64.372 1.549 3.223 1.00 1.00 C ATOM 1007 C PRO A 69 64.807 1.823 1.780 1.00 1.00 C ATOM 1008 O PRO A 69 64.054 2.350 0.984 1.00 1.00 O ATOM 1009 CB PRO A 69 64.885 2.637 4.164 1.00 1.00 C ATOM 1010 CG PRO A 69 65.058 1.959 5.485 1.00 1.00 C ATOM 1011 CD PRO A 69 65.298 0.469 5.208 1.00 1.00 C ATOM 0 HA PRO A 69 63.285 1.485 3.173 1.00 1.00 H new ATOM 0 HB2 PRO A 69 65.827 3.054 3.808 1.00 1.00 H new ATOM 0 HB3 PRO A 69 64.177 3.463 4.234 1.00 1.00 H new ATOM 0 HG2 PRO A 69 65.899 2.388 6.030 1.00 1.00 H new ATOM 0 HG3 PRO A 69 64.173 2.096 6.106 1.00 1.00 H new ATOM 0 HD2 PRO A 69 66.328 0.184 5.424 1.00 1.00 H new ATOM 0 HD3 PRO A 69 64.657 -0.160 5.826 1.00 1.00 H new ATOM 1019 N TRP A 70 66.016 1.471 1.435 1.00 1.00 N ATOM 1020 CA TRP A 70 66.494 1.713 0.045 1.00 1.00 C ATOM 1021 C TRP A 70 65.968 0.606 -0.877 1.00 1.00 C ATOM 1022 O TRP A 70 65.620 0.848 -2.015 1.00 1.00 O ATOM 1023 CB TRP A 70 68.032 1.728 0.028 1.00 1.00 C ATOM 1024 CG TRP A 70 68.512 3.076 -0.404 1.00 1.00 C ATOM 1025 CD1 TRP A 70 68.135 3.708 -1.539 1.00 1.00 C ATOM 1026 CD2 TRP A 70 69.449 3.968 0.270 1.00 1.00 C ATOM 1027 NE1 TRP A 70 68.779 4.930 -1.606 1.00 1.00 N ATOM 1028 CE2 TRP A 70 69.600 5.137 -0.516 1.00 1.00 C ATOM 1029 CE3 TRP A 70 70.174 3.878 1.470 1.00 1.00 C ATOM 1030 CZ2 TRP A 70 70.442 6.179 -0.120 1.00 1.00 C ATOM 1031 CZ3 TRP A 70 71.020 4.922 1.870 1.00 1.00 C ATOM 1032 CH2 TRP A 70 71.155 6.070 1.078 1.00 1.00 C ATOM 0 HA TRP A 70 66.124 2.676 -0.308 1.00 1.00 H new ATOM 0 HB2 TRP A 70 68.420 1.492 1.019 1.00 1.00 H new ATOM 0 HB3 TRP A 70 68.406 0.962 -0.651 1.00 1.00 H new ATOM 0 HD1 TRP A 70 67.444 3.321 -2.273 1.00 1.00 H new ATOM 0 HE1 TRP A 70 68.662 5.597 -2.368 1.00 1.00 H new ATOM 0 HE3 TRP A 70 70.079 2.998 2.089 1.00 1.00 H new ATOM 0 HZ2 TRP A 70 70.541 7.062 -0.734 1.00 1.00 H new ATOM 0 HZ3 TRP A 70 71.571 4.841 2.795 1.00 1.00 H new ATOM 0 HH2 TRP A 70 71.809 6.870 1.392 1.00 1.00 H new ATOM 1043 N GLU A 71 65.905 -0.608 -0.395 1.00 1.00 N ATOM 1044 CA GLU A 71 65.400 -1.721 -1.251 1.00 1.00 C ATOM 1045 C GLU A 71 64.090 -1.291 -1.917 1.00 1.00 C ATOM 1046 O GLU A 71 63.888 -1.490 -3.098 1.00 1.00 O ATOM 1047 CB GLU A 71 65.159 -2.968 -0.387 1.00 1.00 C ATOM 1048 CG GLU A 71 66.444 -3.796 -0.311 1.00 1.00 C ATOM 1049 CD GLU A 71 66.508 -4.750 -1.505 1.00 1.00 C ATOM 1050 OE1 GLU A 71 65.755 -4.546 -2.442 1.00 1.00 O ATOM 1051 OE2 GLU A 71 67.310 -5.668 -1.461 1.00 1.00 O ATOM 0 H GLU A 71 66.180 -0.876 0.550 1.00 1.00 H new ATOM 0 HA GLU A 71 66.138 -1.956 -2.018 1.00 1.00 H new ATOM 0 HB2 GLU A 71 64.844 -2.674 0.614 1.00 1.00 H new ATOM 0 HB3 GLU A 71 64.353 -3.567 -0.811 1.00 1.00 H new ATOM 0 HG2 GLU A 71 67.313 -3.138 -0.310 1.00 1.00 H new ATOM 0 HG3 GLU A 71 66.471 -4.361 0.621 1.00 1.00 H new ATOM 1058 N ALA A 72 63.200 -0.700 -1.169 1.00 1.00 N ATOM 1059 CA ALA A 72 61.908 -0.255 -1.762 1.00 1.00 C ATOM 1060 C ALA A 72 62.186 0.757 -2.875 1.00 1.00 C ATOM 1061 O ALA A 72 62.351 1.935 -2.629 1.00 1.00 O ATOM 1062 CB ALA A 72 61.047 0.398 -0.678 1.00 1.00 C ATOM 0 H ALA A 72 63.311 -0.506 -0.174 1.00 1.00 H new ATOM 0 HA ALA A 72 61.379 -1.114 -2.174 1.00 1.00 H new ATOM 0 HB1 ALA A 72 60.101 0.724 -1.112 1.00 1.00 H new ATOM 0 HB2 ALA A 72 60.853 -0.323 0.116 1.00 1.00 H new ATOM 0 HB3 ALA A 72 61.573 1.259 -0.265 1.00 1.00 H new ATOM 1068 N CYS A 73 62.239 0.305 -4.099 1.00 1.00 N ATOM 1069 CA CYS A 73 62.506 1.240 -5.229 1.00 1.00 C ATOM 1070 C CYS A 73 61.578 2.451 -5.114 1.00 1.00 C ATOM 1071 O CYS A 73 60.467 2.442 -5.605 1.00 1.00 O ATOM 1072 CB CYS A 73 62.248 0.520 -6.557 1.00 1.00 C ATOM 1073 SG CYS A 73 63.825 0.193 -7.383 1.00 1.00 S ATOM 0 H CYS A 73 62.109 -0.671 -4.365 1.00 1.00 H new ATOM 0 HA CYS A 73 63.543 1.572 -5.193 1.00 1.00 H new ATOM 0 HB2 CYS A 73 61.718 -0.416 -6.379 1.00 1.00 H new ATOM 0 HB3 CYS A 73 61.610 1.131 -7.196 1.00 1.00 H new ATOM 1078 N ASN A 74 62.028 3.490 -4.464 1.00 1.00 N ATOM 1079 CA ASN A 74 61.178 4.706 -4.307 1.00 1.00 C ATOM 1080 C ASN A 74 61.777 5.860 -5.115 1.00 1.00 C ATOM 1081 O ASN A 74 61.321 6.172 -6.196 1.00 1.00 O ATOM 1082 CB ASN A 74 61.119 5.091 -2.827 1.00 1.00 C ATOM 1083 CG ASN A 74 59.986 6.094 -2.605 1.00 1.00 C ATOM 1084 OD1 ASN A 74 59.171 5.922 -1.720 1.00 1.00 O ATOM 1085 ND2 ASN A 74 59.899 7.143 -3.376 1.00 1.00 N ATOM 0 H ASN A 74 62.951 3.550 -4.033 1.00 1.00 H new ATOM 0 HA ASN A 74 60.172 4.498 -4.671 1.00 1.00 H new ATOM 0 HB2 ASN A 74 60.958 4.203 -2.216 1.00 1.00 H new ATOM 0 HB3 ASN A 74 62.069 5.525 -2.515 1.00 1.00 H new ATOM 0 HD21 ASN A 74 59.147 7.818 -3.236 1.00 1.00 H new ATOM 0 HD22 ASN A 74 60.583 7.288 -4.119 1.00 1.00 H new ATOM 1092 N HIS A 75 62.793 6.499 -4.599 1.00 1.00 N ATOM 1093 CA HIS A 75 63.415 7.636 -5.338 1.00 1.00 C ATOM 1094 C HIS A 75 64.574 8.201 -4.512 1.00 1.00 C ATOM 1095 O HIS A 75 64.366 8.873 -3.521 1.00 1.00 O ATOM 1096 CB HIS A 75 62.361 8.733 -5.557 1.00 1.00 C ATOM 1097 CG HIS A 75 61.760 8.585 -6.928 1.00 1.00 C ATOM 1098 ND1 HIS A 75 60.390 8.522 -7.131 1.00 1.00 N ATOM 1099 CD2 HIS A 75 62.330 8.487 -8.174 1.00 1.00 C ATOM 1100 CE1 HIS A 75 60.180 8.392 -8.454 1.00 1.00 C ATOM 1101 NE2 HIS A 75 61.329 8.365 -9.133 1.00 1.00 N ATOM 0 H HIS A 75 63.219 6.283 -3.698 1.00 1.00 H new ATOM 0 HA HIS A 75 63.788 7.290 -6.302 1.00 1.00 H new ATOM 0 HB2 HIS A 75 61.583 8.661 -4.797 1.00 1.00 H new ATOM 0 HB3 HIS A 75 62.818 9.717 -5.453 1.00 1.00 H new ATOM 0 HD2 HIS A 75 63.390 8.502 -8.378 1.00 1.00 H new ATOM 0 HE1 HIS A 75 59.204 8.319 -8.910 1.00 1.00 H new ATOM 0 HE2 HIS A 75 61.448 8.274 -10.142 1.00 1.00 H new ATOM 1110 N CYS A 76 65.794 7.939 -4.907 1.00 1.00 N ATOM 1111 CA CYS A 76 66.953 8.471 -4.134 1.00 1.00 C ATOM 1112 C CYS A 76 67.502 9.722 -4.823 1.00 1.00 C ATOM 1113 O CYS A 76 66.770 10.489 -5.415 1.00 1.00 O ATOM 1114 CB CYS A 76 68.053 7.411 -4.054 1.00 1.00 C ATOM 1115 SG CYS A 76 68.704 7.086 -5.711 1.00 1.00 S ATOM 0 H CYS A 76 66.035 7.383 -5.727 1.00 1.00 H new ATOM 0 HA CYS A 76 66.623 8.726 -3.127 1.00 1.00 H new ATOM 0 HB2 CYS A 76 68.854 7.752 -3.398 1.00 1.00 H new ATOM 0 HB3 CYS A 76 67.656 6.493 -3.621 1.00 1.00 H new ATOM 1120 N GLU A 77 68.787 9.939 -4.735 1.00 1.00 N ATOM 1121 CA GLU A 77 69.389 11.148 -5.369 1.00 1.00 C ATOM 1122 C GLU A 77 69.408 10.993 -6.895 1.00 1.00 C ATOM 1123 O GLU A 77 68.607 10.281 -7.469 1.00 1.00 O ATOM 1124 CB GLU A 77 70.820 11.334 -4.849 1.00 1.00 C ATOM 1125 CG GLU A 77 71.146 12.827 -4.768 1.00 1.00 C ATOM 1126 CD GLU A 77 70.462 13.433 -3.540 1.00 1.00 C ATOM 1127 OE1 GLU A 77 70.626 12.883 -2.464 1.00 1.00 O ATOM 1128 OE2 GLU A 77 69.787 14.436 -3.698 1.00 1.00 O ATOM 0 H GLU A 77 69.447 9.330 -4.251 1.00 1.00 H new ATOM 0 HA GLU A 77 68.790 12.022 -5.114 1.00 1.00 H new ATOM 0 HB2 GLU A 77 70.923 10.875 -3.866 1.00 1.00 H new ATOM 0 HB3 GLU A 77 71.526 10.832 -5.511 1.00 1.00 H new ATOM 0 HG2 GLU A 77 72.225 12.972 -4.705 1.00 1.00 H new ATOM 0 HG3 GLU A 77 70.809 13.333 -5.672 1.00 1.00 H new ATOM 1135 N LEU A 78 70.317 11.664 -7.553 1.00 1.00 N ATOM 1136 CA LEU A 78 70.393 11.571 -9.039 1.00 1.00 C ATOM 1137 C LEU A 78 69.019 11.894 -9.633 1.00 1.00 C ATOM 1138 O LEU A 78 68.060 12.104 -8.917 1.00 1.00 O ATOM 1139 CB LEU A 78 70.820 10.155 -9.450 1.00 1.00 C ATOM 1140 CG LEU A 78 72.346 10.054 -9.441 1.00 1.00 C ATOM 1141 CD1 LEU A 78 72.927 10.995 -10.499 1.00 1.00 C ATOM 1142 CD2 LEU A 78 72.874 10.453 -8.061 1.00 1.00 C ATOM 0 H LEU A 78 71.012 12.274 -7.123 1.00 1.00 H new ATOM 0 HA LEU A 78 71.128 12.283 -9.413 1.00 1.00 H new ATOM 0 HB2 LEU A 78 70.393 9.423 -8.765 1.00 1.00 H new ATOM 0 HB3 LEU A 78 70.436 9.923 -10.444 1.00 1.00 H new ATOM 0 HG LEU A 78 72.643 9.029 -9.664 1.00 1.00 H new ATOM 0 HD11 LEU A 78 74.015 10.923 -10.492 1.00 1.00 H new ATOM 0 HD12 LEU A 78 72.551 10.713 -11.482 1.00 1.00 H new ATOM 0 HD13 LEU A 78 72.630 12.020 -10.277 1.00 1.00 H new ATOM 0 HD21 LEU A 78 73.962 10.382 -8.053 1.00 1.00 H new ATOM 0 HD22 LEU A 78 72.576 11.478 -7.840 1.00 1.00 H new ATOM 0 HD23 LEU A 78 72.461 9.784 -7.306 1.00 1.00 H new ATOM 1154 N HIS A 79 68.917 11.942 -10.933 1.00 1.00 N ATOM 1155 CA HIS A 79 67.604 12.260 -11.564 1.00 1.00 C ATOM 1156 C HIS A 79 67.542 11.636 -12.962 1.00 1.00 C ATOM 1157 O HIS A 79 66.483 11.495 -13.539 1.00 1.00 O ATOM 1158 CB HIS A 79 67.449 13.785 -11.668 1.00 1.00 C ATOM 1159 CG HIS A 79 66.567 14.125 -12.838 1.00 1.00 C ATOM 1160 ND1 HIS A 79 65.194 13.931 -12.809 1.00 1.00 N ATOM 1161 CD2 HIS A 79 66.847 14.647 -14.078 1.00 1.00 C ATOM 1162 CE1 HIS A 79 64.702 14.330 -13.996 1.00 1.00 C ATOM 1163 NE2 HIS A 79 65.667 14.773 -14.804 1.00 1.00 N ATOM 0 H HIS A 79 69.684 11.775 -11.585 1.00 1.00 H new ATOM 0 HA HIS A 79 66.796 11.853 -10.955 1.00 1.00 H new ATOM 0 HB2 HIS A 79 67.018 14.180 -10.748 1.00 1.00 H new ATOM 0 HB3 HIS A 79 68.426 14.252 -11.789 1.00 1.00 H new ATOM 0 HD2 HIS A 79 67.830 14.917 -14.434 1.00 1.00 H new ATOM 0 HE1 HIS A 79 63.656 14.296 -14.262 1.00 1.00 H new ATOM 0 HE2 HIS A 79 65.562 15.129 -15.754 1.00 1.00 H new ATOM 1172 N GLU A 80 68.665 11.263 -13.512 1.00 1.00 N ATOM 1173 CA GLU A 80 68.655 10.654 -14.872 1.00 1.00 C ATOM 1174 C GLU A 80 68.265 9.178 -14.761 1.00 1.00 C ATOM 1175 O GLU A 80 67.316 8.731 -15.372 1.00 1.00 O ATOM 1176 CB GLU A 80 70.043 10.782 -15.507 1.00 1.00 C ATOM 1177 CG GLU A 80 71.083 10.108 -14.610 1.00 1.00 C ATOM 1178 CD GLU A 80 72.463 10.708 -14.889 1.00 1.00 C ATOM 1179 OE1 GLU A 80 72.565 11.923 -14.916 1.00 1.00 O ATOM 1180 OE2 GLU A 80 73.395 9.941 -15.070 1.00 1.00 O ATOM 0 H GLU A 80 69.585 11.353 -13.081 1.00 1.00 H new ATOM 0 HA GLU A 80 67.931 11.173 -15.500 1.00 1.00 H new ATOM 0 HB2 GLU A 80 70.046 10.320 -16.494 1.00 1.00 H new ATOM 0 HB3 GLU A 80 70.295 11.833 -15.646 1.00 1.00 H new ATOM 0 HG2 GLU A 80 70.819 10.247 -13.562 1.00 1.00 H new ATOM 0 HG3 GLU A 80 71.097 9.034 -14.795 1.00 1.00 H new ATOM 1187 N LEU A 81 68.987 8.421 -13.978 1.00 1.00 N ATOM 1188 CA LEU A 81 68.657 6.974 -13.816 1.00 1.00 C ATOM 1189 C LEU A 81 67.887 6.778 -12.505 1.00 1.00 C ATOM 1190 O LEU A 81 67.816 5.693 -11.972 1.00 1.00 O ATOM 1191 CB LEU A 81 69.961 6.152 -13.803 1.00 1.00 C ATOM 1192 CG LEU A 81 70.599 6.211 -12.414 1.00 1.00 C ATOM 1193 CD1 LEU A 81 71.952 5.497 -12.442 1.00 1.00 C ATOM 1194 CD2 LEU A 81 70.804 7.673 -12.010 1.00 1.00 C ATOM 0 H LEU A 81 69.793 8.743 -13.442 1.00 1.00 H new ATOM 0 HA LEU A 81 68.037 6.635 -14.646 1.00 1.00 H new ATOM 0 HB2 LEU A 81 69.752 5.117 -14.073 1.00 1.00 H new ATOM 0 HB3 LEU A 81 70.654 6.542 -14.548 1.00 1.00 H new ATOM 0 HG LEU A 81 69.945 5.721 -11.693 1.00 1.00 H new ATOM 0 HD11 LEU A 81 72.406 5.539 -11.452 1.00 1.00 H new ATOM 0 HD12 LEU A 81 71.808 4.456 -12.731 1.00 1.00 H new ATOM 0 HD13 LEU A 81 72.607 5.986 -13.163 1.00 1.00 H new ATOM 0 HD21 LEU A 81 71.259 7.717 -11.020 1.00 1.00 H new ATOM 0 HD22 LEU A 81 71.458 8.162 -12.732 1.00 1.00 H new ATOM 0 HD23 LEU A 81 69.841 8.183 -11.990 1.00 1.00 H new ATOM 1206 N ALA A 82 67.322 7.831 -11.978 1.00 1.00 N ATOM 1207 CA ALA A 82 66.571 7.724 -10.691 1.00 1.00 C ATOM 1208 C ALA A 82 65.350 6.808 -10.840 1.00 1.00 C ATOM 1209 O ALA A 82 65.152 5.902 -10.054 1.00 1.00 O ATOM 1210 CB ALA A 82 66.111 9.118 -10.263 1.00 1.00 C ATOM 0 H ALA A 82 67.348 8.766 -12.385 1.00 1.00 H new ATOM 0 HA ALA A 82 67.231 7.295 -9.937 1.00 1.00 H new ATOM 0 HB1 ALA A 82 65.562 9.048 -9.324 1.00 1.00 H new ATOM 0 HB2 ALA A 82 66.980 9.762 -10.128 1.00 1.00 H new ATOM 0 HB3 ALA A 82 65.463 9.539 -11.032 1.00 1.00 H new ATOM 1216 N GLN A 83 64.524 7.045 -11.827 1.00 1.00 N ATOM 1217 CA GLN A 83 63.301 6.199 -12.021 1.00 1.00 C ATOM 1218 C GLN A 83 63.592 4.745 -11.620 1.00 1.00 C ATOM 1219 O GLN A 83 64.181 3.993 -12.370 1.00 1.00 O ATOM 1220 CB GLN A 83 62.881 6.254 -13.496 1.00 1.00 C ATOM 1221 CG GLN A 83 61.704 7.218 -13.657 1.00 1.00 C ATOM 1222 CD GLN A 83 60.441 6.585 -13.070 1.00 1.00 C ATOM 1223 OE1 GLN A 83 59.370 7.154 -13.147 1.00 1.00 O ATOM 1224 NE2 GLN A 83 60.521 5.423 -12.483 1.00 1.00 N ATOM 0 H GLN A 83 64.642 7.791 -12.512 1.00 1.00 H new ATOM 0 HA GLN A 83 62.496 6.581 -11.393 1.00 1.00 H new ATOM 0 HB2 GLN A 83 63.719 6.581 -14.112 1.00 1.00 H new ATOM 0 HB3 GLN A 83 62.600 5.259 -13.842 1.00 1.00 H new ATOM 0 HG2 GLN A 83 61.920 8.160 -13.152 1.00 1.00 H new ATOM 0 HG3 GLN A 83 61.551 7.449 -14.711 1.00 1.00 H new ATOM 0 HE21 GLN A 83 61.420 4.945 -12.418 1.00 1.00 H new ATOM 0 HE22 GLN A 83 59.685 4.992 -12.089 1.00 1.00 H new ATOM 1233 N TYR A 84 63.177 4.357 -10.441 1.00 1.00 N ATOM 1234 CA TYR A 84 63.414 2.961 -9.959 1.00 1.00 C ATOM 1235 C TYR A 84 64.915 2.699 -9.822 1.00 1.00 C ATOM 1236 O TYR A 84 65.360 2.089 -8.870 1.00 1.00 O ATOM 1237 CB TYR A 84 62.811 1.941 -10.935 1.00 1.00 C ATOM 1238 CG TYR A 84 61.327 2.184 -11.073 1.00 1.00 C ATOM 1239 CD1 TYR A 84 60.536 2.349 -9.930 1.00 1.00 C ATOM 1240 CD2 TYR A 84 60.743 2.245 -12.344 1.00 1.00 C ATOM 1241 CE1 TYR A 84 59.160 2.574 -10.058 1.00 1.00 C ATOM 1242 CE2 TYR A 84 59.367 2.471 -12.472 1.00 1.00 C ATOM 1243 CZ TYR A 84 58.576 2.635 -11.329 1.00 1.00 C ATOM 1244 OH TYR A 84 57.220 2.858 -11.455 1.00 1.00 O ATOM 0 H TYR A 84 62.678 4.955 -9.783 1.00 1.00 H new ATOM 0 HA TYR A 84 62.933 2.852 -8.987 1.00 1.00 H new ATOM 0 HB2 TYR A 84 63.295 2.024 -11.908 1.00 1.00 H new ATOM 0 HB3 TYR A 84 62.991 0.928 -10.575 1.00 1.00 H new ATOM 0 HD1 TYR A 84 60.987 2.303 -8.950 1.00 1.00 H new ATOM 0 HD2 TYR A 84 61.354 2.118 -13.226 1.00 1.00 H new ATOM 0 HE1 TYR A 84 58.549 2.700 -9.176 1.00 1.00 H new ATOM 0 HE2 TYR A 84 58.916 2.519 -13.452 1.00 1.00 H new ATOM 0 HH TYR A 84 56.978 2.872 -12.404 1.00 1.00 H new ATOM 1254 N GLY A 85 65.701 3.149 -10.759 1.00 1.00 N ATOM 1255 CA GLY A 85 67.169 2.916 -10.668 1.00 1.00 C ATOM 1256 C GLY A 85 67.524 1.598 -11.355 1.00 1.00 C ATOM 1257 O GLY A 85 67.472 0.540 -10.758 1.00 1.00 O ATOM 0 H GLY A 85 65.392 3.667 -11.582 1.00 1.00 H new ATOM 0 HA2 GLY A 85 67.708 3.739 -11.138 1.00 1.00 H new ATOM 0 HA3 GLY A 85 67.479 2.888 -9.623 1.00 1.00 H new ATOM 1261 N ILE A 86 67.896 1.653 -12.606 1.00 1.00 N ATOM 1262 CA ILE A 86 68.267 0.404 -13.326 1.00 1.00 C ATOM 1263 C ILE A 86 69.239 -0.388 -12.448 1.00 1.00 C ATOM 1264 O ILE A 86 68.858 -1.331 -11.784 1.00 1.00 O ATOM 1265 CB ILE A 86 68.930 0.762 -14.664 1.00 1.00 C ATOM 1266 CG1 ILE A 86 69.479 -0.509 -15.315 1.00 1.00 C ATOM 1267 CG2 ILE A 86 70.077 1.744 -14.420 1.00 1.00 C ATOM 1268 CD1 ILE A 86 69.787 -0.236 -16.789 1.00 1.00 C ATOM 0 H ILE A 86 67.958 2.508 -13.158 1.00 1.00 H new ATOM 0 HA ILE A 86 67.381 -0.197 -13.528 1.00 1.00 H new ATOM 0 HB ILE A 86 68.193 1.221 -15.323 1.00 1.00 H new ATOM 0 HG12 ILE A 86 70.382 -0.834 -14.798 1.00 1.00 H new ATOM 0 HG13 ILE A 86 68.753 -1.318 -15.228 1.00 1.00 H new ATOM 0 HG21 ILE A 86 70.547 1.998 -15.370 1.00 1.00 H new ATOM 0 HG22 ILE A 86 69.688 2.650 -13.954 1.00 1.00 H new ATOM 0 HG23 ILE A 86 70.815 1.286 -13.761 1.00 1.00 H new ATOM 0 HD11 ILE A 86 70.178 -1.142 -17.253 1.00 1.00 H new ATOM 0 HD12 ILE A 86 68.874 0.069 -17.301 1.00 1.00 H new ATOM 0 HD13 ILE A 86 70.528 0.560 -16.865 1.00 1.00 H new ATOM 1280 N CYS A 87 70.486 -0.002 -12.418 1.00 1.00 N ATOM 1281 CA CYS A 87 71.467 -0.719 -11.559 1.00 1.00 C ATOM 1282 C CYS A 87 71.340 -0.204 -10.122 1.00 1.00 C ATOM 1283 CB CYS A 87 72.886 -0.460 -12.075 1.00 1.00 C ATOM 1284 SG CYS A 87 74.072 -0.683 -10.726 1.00 1.00 S ATOM 0 H CYS A 87 70.866 0.779 -12.952 1.00 1.00 H new ATOM 0 HA CYS A 87 71.267 -1.790 -11.585 1.00 1.00 H new ATOM 0 HB2 CYS A 87 73.117 -1.143 -12.893 1.00 1.00 H new ATOM 0 HB3 CYS A 87 72.960 0.552 -12.474 1.00 1.00 H new TER 1289 CYS A 87 HETATM 1290 C1C RCY A 110 78.356 9.607 14.595 1.00 1.00 C HETATM 1291 O1G RCY A 110 77.249 11.894 14.760 1.00 1.00 O HETATM 1292 O1H RCY A 110 78.646 12.365 10.274 1.00 1.00 O HETATM 1293 O1J RCY A 110 75.438 10.028 15.209 1.00 1.00 O HETATM 1294 C1L RCY A 110 78.084 13.789 13.456 1.00 1.00 C HETATM 1295 C1M RCY A 110 76.356 9.850 11.490 1.00 1.00 C HETATM 1296 C1P RCY A 110 77.692 12.325 13.697 1.00 1.00 C HETATM 1297 C1Q RCY A 110 78.572 12.463 11.498 1.00 1.00 C HETATM 1298 N1R RCY A 110 77.921 11.470 12.452 1.00 1.00 N HETATM 1299 C1S RCY A 110 79.117 13.603 12.339 1.00 1.00 C HETATM 1300 C1U RCY A 110 77.587 9.996 12.214 1.00 1.00 C HETATM 1301 C1V RCY A 110 77.305 7.715 13.275 1.00 1.00 C HETATM 1302 N1V RCY A 110 75.960 9.740 13.877 1.00 1.00 N HETATM 1303 C1W RCY A 110 75.237 9.887 12.539 1.00 1.00 C HETATM 1304 C1X RCY A 110 77.345 9.226 13.511 1.00 1.00 C HETATM 1305 C1Y RCY A 110 74.262 8.726 12.327 1.00 1.00 C HETATM 1306 C1Z RCY A 110 74.497 11.224 12.514 1.00 1.00 C HETATM 0 H1ZB RCY A 110 75.198 12.032 12.726 1.00 1.00 H new HETATM 0 H1ZA RCY A 110 74.054 11.377 11.530 1.00 1.00 H new HETATM 0 H1YB RCY A 110 73.818 8.800 11.334 1.00 1.00 H new HETATM 0 H1YA RCY A 110 74.797 7.781 12.415 1.00 1.00 H new HETATM 0 H1VB RCY A 110 78.290 7.370 12.960 1.00 1.00 H new HETATM 0 H1VA RCY A 110 77.022 7.210 14.198 1.00 1.00 H new HETATM 0 H1MA RCY A 110 76.235 10.653 10.762 1.00 1.00 H new HETATM 0 H1LA RCY A 110 77.238 14.402 13.144 1.00 1.00 H new HETATM 0 H1CB RCY A 110 79.364 9.383 14.247 1.00 1.00 H new HETATM 0 H1CA RCY A 110 78.275 10.673 14.810 1.00 1.00 H new HETATM 0 H1Z RCY A 110 73.710 11.219 13.269 1.00 1.00 H new HETATM 0 H1Y RCY A 110 73.476 8.769 13.080 1.00 1.00 H new HETATM 0 H1V RCY A 110 76.575 7.487 12.498 1.00 1.00 H new HETATM 0 H1U RCY A 110 78.450 9.609 11.673 1.00 1.00 H new HETATM 0 H1S RCY A 110 80.100 13.362 12.744 1.00 1.00 H new HETATM 0 H1M RCY A 110 76.339 8.912 10.935 1.00 1.00 H new HETATM 0 H1C RCY A 110 78.150 9.038 15.501 1.00 1.00 H new HETATM 1309 C1C RCY A 121 62.605 3.926 0.992 1.00 1.00 C HETATM 1310 O1G RCY A 121 62.349 5.605 3.171 1.00 1.00 O HETATM 1311 O1H RCY A 121 64.666 2.575 5.955 1.00 1.00 O HETATM 1312 O1J RCY A 121 63.570 1.536 -0.566 1.00 1.00 O HETATM 1313 C1L RCY A 121 62.618 5.429 5.597 1.00 1.00 C HETATM 1314 C1M RCY A 121 64.630 1.673 3.117 1.00 1.00 C HETATM 1315 C1P RCY A 121 62.801 4.993 4.137 1.00 1.00 C HETATM 1316 C1Q RCY A 121 63.811 3.333 5.498 1.00 1.00 C HETATM 1317 N1R RCY A 121 63.616 3.705 4.034 1.00 1.00 N HETATM 1318 C1S RCY A 121 62.752 4.071 6.295 1.00 1.00 C HETATM 1319 C1U RCY A 121 64.113 2.970 2.787 1.00 1.00 C HETATM 1320 C1V RCY A 121 61.786 2.028 2.459 1.00 1.00 C HETATM 1321 N1V RCY A 121 63.699 1.676 0.882 1.00 1.00 N HETATM 1322 C1W RCY A 121 64.568 0.848 1.826 1.00 1.00 C HETATM 1323 C1X RCY A 121 62.996 2.678 1.786 1.00 1.00 C HETATM 1324 C1Y RCY A 121 63.924 -0.516 2.090 1.00 1.00 C HETATM 1325 C1Z RCY A 121 65.956 0.678 1.208 1.00 1.00 C HETATM 0 H1ZA RCY A 121 66.609 0.166 1.915 1.00 1.00 H new HETATM 0 H1YA RCY A 121 62.911 -0.373 2.467 1.00 1.00 H new HETATM 0 H1VB RCY A 121 61.326 2.739 3.145 1.00 1.00 H new HETATM 0 H1VA RCY A 121 61.061 1.736 1.700 1.00 1.00 H new HETATM 0 H1LA RCY A 121 63.379 6.140 5.919 1.00 1.00 H new HETATM 0 H1CB RCY A 121 62.257 4.699 1.677 1.00 1.00 H new HETATM 0 H1CA RCY A 121 63.471 4.293 0.441 1.00 1.00 H new HETATM 0 H1V RCY A 121 62.108 1.146 3.012 1.00 1.00 H new HETATM 0 H1U RCY A 121 64.866 3.636 2.365 1.00 1.00 H new HETATM 0 H1S RCY A 121 61.806 3.530 6.294 1.00 1.00 H new HETATM 0 H1L RCY A 121 61.649 5.896 5.775 1.00 1.00 H new HETATM 0 H1C RCY A 121 61.808 3.677 0.291 1.00 1.00 H new HETATM 1328 C1C RCY A 130 72.160 -5.020 -1.345 1.00 1.00 C HETATM 1329 O1G RCY A 130 70.742 -6.505 1.579 1.00 1.00 O HETATM 1330 O1H RCY A 130 68.476 -6.766 -2.556 1.00 1.00 O HETATM 1331 O1J RCY A 130 70.983 -5.059 -4.117 1.00 1.00 O HETATM 1332 C1L RCY A 130 69.762 -8.361 0.320 1.00 1.00 C HETATM 1333 C1M RCY A 130 68.644 -3.865 -1.322 1.00 1.00 C HETATM 1334 C1P RCY A 130 70.113 -6.893 0.596 1.00 1.00 C HETATM 1335 C1Q RCY A 130 68.807 -6.942 -1.384 1.00 1.00 C HETATM 1336 N1R RCY A 130 69.584 -5.973 -0.503 1.00 1.00 N HETATM 1337 C1S RCY A 130 68.512 -8.173 -0.547 1.00 1.00 C HETATM 1338 C1U RCY A 130 69.780 -4.466 -0.683 1.00 1.00 C HETATM 1339 C1V RCY A 130 71.308 -2.640 -1.544 1.00 1.00 C HETATM 1340 N1V RCY A 130 70.327 -4.459 -2.958 1.00 1.00 N HETATM 1341 C1W RCY A 130 68.868 -4.028 -2.831 1.00 1.00 C HETATM 1342 C1X RCY A 130 70.947 -4.125 -1.608 1.00 1.00 C HETATM 1343 C1Y RCY A 130 68.638 -2.698 -3.555 1.00 1.00 C HETATM 1344 C1Z RCY A 130 67.970 -5.120 -3.411 1.00 1.00 C HETATM 0 H1ZB RCY A 130 68.191 -6.070 -2.923 1.00 1.00 H new HETATM 0 H1ZA RCY A 130 66.925 -4.860 -3.242 1.00 1.00 H new HETATM 0 H1VB RCY A 130 71.698 -2.403 -0.554 1.00 1.00 H new HETATM 0 H1VA RCY A 130 72.065 -2.417 -2.296 1.00 1.00 H new HETATM 0 H1MA RCY A 130 67.719 -4.351 -1.011 1.00 1.00 H new HETATM 0 H1LA RCY A 130 70.558 -8.889 -0.205 1.00 1.00 H new HETATM 0 H1CB RCY A 130 72.491 -4.891 -0.315 1.00 1.00 H new HETATM 0 H1CA RCY A 130 71.886 -6.062 -1.510 1.00 1.00 H new HETATM 0 H1Z RCY A 130 68.153 -5.211 -4.482 1.00 1.00 H new HETATM 0 H1V RCY A 130 70.418 -2.041 -1.736 1.00 1.00 H new HETATM 0 H1U RCY A 130 69.949 -4.095 0.328 1.00 1.00 H new HETATM 0 H1S RCY A 130 67.622 -8.031 0.066 1.00 1.00 H new HETATM 0 H1M RCY A 130 68.557 -2.812 -1.053 1.00 1.00 H new HETATM 0 H1L RCY A 130 69.557 -8.920 1.233 1.00 1.00 H new HETATM 0 H1C RCY A 130 72.968 -4.746 -2.023 1.00 1.00 H new HETATM 1347 C1C RCY A 138 82.146 -2.397 -3.032 1.00 1.00 C HETATM 1348 O1G RCY A 138 78.222 -3.559 -6.256 1.00 1.00 O HETATM 1349 O1H RCY A 138 80.962 -5.617 -3.007 1.00 1.00 O HETATM 1350 O1J RCY A 138 81.098 -0.457 -0.982 1.00 1.00 O HETATM 1351 C1L RCY A 138 79.148 -5.812 -6.030 1.00 1.00 C HETATM 1352 C1M RCY A 138 78.453 -2.521 -2.839 1.00 1.00 C HETATM 1353 C1P RCY A 138 78.927 -4.348 -5.629 1.00 1.00 C HETATM 1354 C1Q RCY A 138 80.465 -5.275 -4.079 1.00 1.00 C HETATM 1355 N1R RCY A 138 79.690 -3.993 -4.355 1.00 1.00 N HETATM 1356 C1S RCY A 138 80.513 -6.059 -5.378 1.00 1.00 C HETATM 1357 C1U RCY A 138 79.685 -2.689 -3.553 1.00 1.00 C HETATM 1358 C1V RCY A 138 80.719 -3.928 -1.602 1.00 1.00 C HETATM 1359 N1V RCY A 138 80.278 -1.463 -1.650 1.00 1.00 N HETATM 1360 C1W RCY A 138 78.753 -1.548 -1.692 1.00 1.00 C HETATM 1361 C1X RCY A 138 80.752 -2.662 -2.460 1.00 1.00 C HETATM 1362 C1Y RCY A 138 78.211 -2.093 -0.368 1.00 1.00 C HETATM 1363 C1Z RCY A 138 78.182 -0.159 -1.977 1.00 1.00 C HETATM 0 H1ZB RCY A 138 78.625 0.236 -2.891 1.00 1.00 H new HETATM 0 H1ZA RCY A 138 77.101 -0.228 -2.099 1.00 1.00 H new HETATM 0 H1YB RCY A 138 77.132 -2.227 -0.444 1.00 1.00 H new HETATM 0 H1YA RCY A 138 78.681 -3.052 -0.150 1.00 1.00 H new HETATM 0 H1VB RCY A 138 81.008 -4.786 -2.209 1.00 1.00 H new HETATM 0 H1VA RCY A 138 81.415 -3.822 -0.770 1.00 1.00 H new HETATM 0 H1MA RCY A 138 77.675 -2.125 -3.492 1.00 1.00 H new HETATM 0 H1LA RCY A 138 78.374 -6.473 -5.641 1.00 1.00 H new HETATM 0 H1CB RCY A 138 82.404 -3.183 -3.742 1.00 1.00 H new HETATM 0 H1CA RCY A 138 82.153 -1.433 -3.540 1.00 1.00 H new HETATM 0 H1Z RCY A 138 78.412 0.507 -1.145 1.00 1.00 H new HETATM 0 H1Y RCY A 138 78.434 -1.389 0.434 1.00 1.00 H new HETATM 0 H1V RCY A 138 79.711 -4.079 -1.215 1.00 1.00 H new HETATM 0 H1U RCY A 138 79.856 -1.913 -4.299 1.00 1.00 H new HETATM 0 H1M RCY A 138 78.092 -3.475 -2.456 1.00 1.00 H new HETATM 0 H1L RCY A 138 79.171 -5.950 -7.111 1.00 1.00 H new HETATM 0 H1C RCY A 138 82.875 -2.386 -2.222 1.00 1.00 H new HETATM 1366 C1C RCY A 150 79.497 -4.129 -8.164 1.00 1.00 C HETATM 1367 O1G RCY A 150 79.108 -1.367 -8.724 1.00 1.00 O HETATM 1368 O1H RCY A 150 82.589 -1.702 -11.897 1.00 1.00 O HETATM 1369 O1J RCY A 150 81.421 -5.762 -6.522 1.00 1.00 O HETATM 1370 C1L RCY A 150 79.721 -0.037 -10.685 1.00 1.00 C HETATM 1371 C1M RCY A 150 82.999 -3.137 -8.831 1.00 1.00 C HETATM 1372 C1P RCY A 150 79.884 -1.164 -9.656 1.00 1.00 C HETATM 1373 C1Q RCY A 150 81.763 -1.257 -11.103 1.00 1.00 C HETATM 1374 N1R RCY A 150 81.131 -2.002 -9.934 1.00 1.00 N HETATM 1375 C1S RCY A 150 81.183 0.146 -11.107 1.00 1.00 C HETATM 1376 C1U RCY A 150 81.626 -3.266 -9.228 1.00 1.00 C HETATM 1377 C1V RCY A 150 80.834 -2.301 -7.025 1.00 1.00 C HETATM 1378 N1V RCY A 150 81.804 -4.592 -7.308 1.00 1.00 N HETATM 1379 C1W RCY A 150 83.213 -4.151 -7.699 1.00 1.00 C HETATM 1380 C1X RCY A 150 80.888 -3.541 -7.919 1.00 1.00 C HETATM 1381 C1Y RCY A 150 83.917 -3.490 -6.511 1.00 1.00 C HETATM 1382 C1Z RCY A 150 84.002 -5.367 -8.184 1.00 1.00 C HETATM 0 H1ZB RCY A 150 83.456 -5.857 -8.990 1.00 1.00 H new HETATM 0 H1ZA RCY A 150 84.977 -5.046 -8.550 1.00 1.00 H new HETATM 0 H1YB RCY A 150 84.886 -3.107 -6.830 1.00 1.00 H new HETATM 0 H1YA RCY A 150 83.307 -2.668 -6.138 1.00 1.00 H new HETATM 0 H1VB RCY A 150 80.219 -1.536 -7.500 1.00 1.00 H new HETATM 0 H1VA RCY A 150 80.401 -2.566 -6.060 1.00 1.00 H new HETATM 0 H1MA RCY A 150 83.667 -3.341 -9.668 1.00 1.00 H new HETATM 0 H1LA RCY A 150 79.079 -0.322 -11.518 1.00 1.00 H new HETATM 0 H1CB RCY A 150 78.904 -3.427 -8.750 1.00 1.00 H new HETATM 0 H1CA RCY A 150 79.590 -5.069 -8.708 1.00 1.00 H new HETATM 0 H1Z RCY A 150 84.137 -6.066 -7.359 1.00 1.00 H new HETATM 0 H1Y RCY A 150 84.060 -4.224 -5.718 1.00 1.00 H new HETATM 0 H1V RCY A 150 81.843 -1.915 -6.876 1.00 1.00 H new HETATM 0 H1U RCY A 150 81.464 -4.062 -9.955 1.00 1.00 H new HETATM 0 H1S RCY A 150 81.717 0.797 -10.415 1.00 1.00 H new HETATM 0 H1M RCY A 150 83.213 -2.123 -8.492 1.00 1.00 H new HETATM 0 H1L RCY A 150 79.296 0.867 -10.250 1.00 1.00 H new HETATM 0 H1C RCY A 150 79.005 -4.310 -7.208 1.00 1.00 H new HETATM 1385 C1C RCY A 160 77.198 1.936 3.121 1.00 1.00 C HETATM 1386 O1G RCY A 160 77.538 -0.032 3.363 1.00 1.00 O HETATM 1387 O1H RCY A 160 74.116 -0.688 6.550 1.00 1.00 O HETATM 1388 O1J RCY A 160 75.187 1.048 1.064 1.00 1.00 O HETATM 1389 C1L RCY A 160 76.872 -1.945 4.736 1.00 1.00 C HETATM 1390 C1M RCY A 160 73.793 1.779 4.561 1.00 1.00 C HETATM 1391 C1P RCY A 160 76.801 -0.498 4.231 1.00 1.00 C HETATM 1392 C1Q RCY A 160 75.198 -0.714 5.966 1.00 1.00 C HETATM 1393 N1R RCY A 160 75.701 0.292 4.938 1.00 1.00 N HETATM 1394 C1S RCY A 160 76.283 -1.761 6.139 1.00 1.00 C HETATM 1395 C1U RCY A 160 75.221 1.723 4.688 1.00 1.00 C HETATM 1396 C1V RCY A 160 75.492 3.805 3.273 1.00 1.00 C HETATM 1397 N1V RCY A 160 74.834 1.557 2.386 1.00 1.00 N HETATM 1398 C1W RCY A 160 73.483 1.467 3.092 1.00 1.00 C HETATM 1399 C1X RCY A 160 75.732 2.297 3.368 1.00 1.00 C HETATM 1400 C1Y RCY A 160 72.508 2.499 2.516 1.00 1.00 C HETATM 1401 C1Z RCY A 160 72.927 0.052 2.930 1.00 1.00 C HETATM 0 H1ZB RCY A 160 73.659 -0.670 3.290 1.00 1.00 H new HETATM 0 H1ZA RCY A 160 72.007 -0.046 3.506 1.00 1.00 H new HETATM 0 H1YB RCY A 160 71.578 2.479 3.085 1.00 1.00 H new HETATM 0 H1YA RCY A 160 72.951 3.493 2.580 1.00 1.00 H new HETATM 0 H1VB RCY A 160 76.100 4.318 4.018 1.00 1.00 H new HETATM 0 H1VA RCY A 160 75.766 4.155 2.278 1.00 1.00 H new HETATM 0 H1MA RCY A 160 73.315 1.056 5.222 1.00 1.00 H new HETATM 0 H1LA RCY A 160 76.286 -2.630 4.124 1.00 1.00 H new HETATM 0 H1CB RCY A 160 77.812 2.336 3.928 1.00 1.00 H new HETATM 0 H1CA RCY A 160 77.305 0.852 3.086 1.00 1.00 H new HETATM 0 H1V RCY A 160 74.439 4.018 3.455 1.00 1.00 H new HETATM 0 H1U RCY A 160 75.597 2.286 5.542 1.00 1.00 H new HETATM 0 H1S RCY A 160 77.043 -1.431 6.847 1.00 1.00 H new HETATM 0 H1M RCY A 160 73.416 2.763 4.838 1.00 1.00 H new HETATM 0 H1L RCY A 160 77.892 -2.330 4.758 1.00 1.00 H new HETATM 0 H1C RCY A 160 77.523 2.363 2.172 1.00 1.00 H new HETATM 1404 C1C RCY A 168 72.496 2.919 2.653 1.00 1.00 C HETATM 1405 O1G RCY A 168 69.766 2.338 2.047 1.00 1.00 O HETATM 1406 O1H RCY A 168 70.982 -2.223 1.891 1.00 1.00 O HETATM 1407 O1J RCY A 168 75.034 3.221 1.061 1.00 1.00 O HETATM 1408 C1L RCY A 168 68.502 0.257 2.301 1.00 1.00 C HETATM 1409 C1M RCY A 168 72.952 0.088 0.314 1.00 1.00 C HETATM 1410 C1P RCY A 168 69.751 1.108 2.034 1.00 1.00 C HETATM 1411 C1Q RCY A 168 70.374 -1.163 1.746 1.00 1.00 C HETATM 1412 N1R RCY A 168 70.974 0.237 1.749 1.00 1.00 N HETATM 1413 C1S RCY A 168 68.879 -1.012 1.529 1.00 1.00 C HETATM 1414 C1U RCY A 168 72.429 0.654 1.524 1.00 1.00 C HETATM 1415 C1V RCY A 168 71.612 2.706 0.286 1.00 1.00 C HETATM 1416 N1V RCY A 168 74.014 2.211 0.791 1.00 1.00 N HETATM 1417 C1W RCY A 168 74.139 0.971 -0.092 1.00 1.00 C HETATM 1418 C1X RCY A 168 72.591 2.160 1.328 1.00 1.00 C HETATM 1419 C1Y RCY A 168 74.043 1.356 -1.571 1.00 1.00 C HETATM 1420 C1Z RCY A 168 75.471 0.280 0.200 1.00 1.00 C HETATM 0 H1ZA RCY A 168 75.527 -0.654 -0.359 1.00 1.00 H new HETATM 0 H1YB RCY A 168 74.049 0.454 -2.183 1.00 1.00 H new HETATM 0 H1YA RCY A 168 73.118 1.906 -1.744 1.00 1.00 H new HETATM 0 H1MA RCY A 168 73.269 -0.943 0.472 1.00 1.00 H new HETATM 0 H1LA RCY A 168 68.345 0.068 3.363 1.00 1.00 H new HETATM 0 H1CB RCY A 168 71.523 2.736 3.108 1.00 1.00 H new HETATM 0 H1CA RCY A 168 73.281 2.575 3.326 1.00 1.00 H new HETATM 0 H1Z RCY A 168 76.292 0.932 -0.099 1.00 1.00 H new HETATM 0 H1Y RCY A 168 74.894 1.982 -1.840 1.00 1.00 H new HETATM 0 H1S RCY A 168 68.640 -0.917 0.470 1.00 1.00 H new HETATM 0 H1M RCY A 168 72.193 0.072 -0.468 1.00 1.00 H new HETATM 0 H1L RCY A 168 67.592 0.721 1.922 1.00 1.00 H new HETATM 0 H1C RCY A 168 72.616 3.987 2.470 1.00 1.00 H new HETATM 1423 C1C RCY A 173 67.617 -2.633 -5.211 1.00 1.00 C HETATM 1424 O1G RCY A 173 65.354 1.064 -2.555 1.00 1.00 O HETATM 1425 O1H RCY A 173 65.155 -2.132 -6.026 1.00 1.00 O HETATM 1426 O1J RCY A 173 69.631 -0.533 -4.435 1.00 1.00 O HETATM 1427 C1L RCY A 173 64.333 1.068 -4.779 1.00 1.00 C HETATM 1428 C1M RCY A 173 66.891 -1.260 -1.853 1.00 1.00 C HETATM 1429 C1P RCY A 173 65.155 0.485 -3.622 1.00 1.00 C HETATM 1430 C1Q RCY A 173 65.256 -1.073 -5.409 1.00 1.00 C HETATM 1431 N1R RCY A 173 65.696 -0.903 -3.960 1.00 1.00 N HETATM 1432 C1S RCY A 173 64.963 0.313 -5.955 1.00 1.00 C HETATM 1433 C1U RCY A 173 66.478 -1.879 -3.079 1.00 1.00 C HETATM 1434 C1V RCY A 173 68.403 -3.520 -2.971 1.00 1.00 C HETATM 1435 N1V RCY A 173 68.636 -1.089 -3.523 1.00 1.00 N HETATM 1436 C1W RCY A 173 68.214 -0.547 -2.158 1.00 1.00 C HETATM 1437 C1X RCY A 173 67.787 -2.337 -3.720 1.00 1.00 C HETATM 1438 C1Y RCY A 173 69.266 -0.887 -1.099 1.00 1.00 C HETATM 1439 C1Z RCY A 173 68.020 0.966 -2.259 1.00 1.00 C HETATM 0 H1ZB RCY A 173 67.314 1.190 -3.059 1.00 1.00 H new HETATM 0 H1ZA RCY A 173 67.631 1.347 -1.315 1.00 1.00 H new HETATM 0 H1YB RCY A 173 68.911 -0.569 -0.119 1.00 1.00 H new HETATM 0 H1YA RCY A 173 69.439 -1.963 -1.090 1.00 1.00 H new HETATM 0 H1LA RCY A 173 63.267 0.866 -4.677 1.00 1.00 H new HETATM 0 H1CB RCY A 173 66.877 -3.423 -5.343 1.00 1.00 H new HETATM 0 H1CA RCY A 173 67.282 -1.732 -5.725 1.00 1.00 H new HETATM 0 H1Z RCY A 173 68.976 1.442 -2.476 1.00 1.00 H new HETATM 0 H1Y RCY A 173 70.198 -0.372 -1.333 1.00 1.00 H new HETATM 0 H1U RCY A 173 65.792 -2.712 -2.927 1.00 1.00 H new HETATM 0 H1S RCY A 173 65.873 0.804 -6.299 1.00 1.00 H new HETATM 0 H1L RCY A 173 64.446 2.148 -4.868 1.00 1.00 H new HETATM 0 H1C RCY A 173 68.571 -2.956 -5.629 1.00 1.00 H new HETATM 1442 C1C RCY A 176 73.723 4.883 -3.945 1.00 1.00 C HETATM 1443 O1G RCY A 176 71.324 2.763 -6.633 1.00 1.00 O HETATM 1444 O1H RCY A 176 70.300 6.043 -3.393 1.00 1.00 O HETATM 1445 O1J RCY A 176 72.448 6.323 -1.627 1.00 1.00 O HETATM 1446 C1L RCY A 176 70.056 4.854 -6.710 1.00 1.00 C HETATM 1447 C1M RCY A 176 71.063 2.830 -2.394 1.00 1.00 C HETATM 1448 C1P RCY A 176 70.873 3.742 -6.040 1.00 1.00 C HETATM 1449 C1Q RCY A 176 70.217 5.254 -4.334 1.00 1.00 C HETATM 1450 N1R RCY A 176 71.056 4.000 -4.546 1.00 1.00 N HETATM 1451 C1S RCY A 176 69.254 5.353 -5.502 1.00 1.00 C HETATM 1452 C1U RCY A 176 71.870 3.211 -3.518 1.00 1.00 C HETATM 1453 C1V RCY A 176 73.971 3.156 -2.106 1.00 1.00 C HETATM 1454 N1V RCY A 176 72.202 4.922 -1.955 1.00 1.00 N HETATM 1455 C1W RCY A 176 71.085 4.022 -1.429 1.00 1.00 C HETATM 1456 C1X RCY A 176 73.000 4.032 -2.899 1.00 1.00 C HETATM 1457 C1Y RCY A 176 71.401 3.555 -0.005 1.00 1.00 C HETATM 1458 C1Z RCY A 176 69.764 4.790 -1.464 1.00 1.00 C HETATM 0 H1VB RCY A 176 74.496 2.486 -2.787 1.00 1.00 H new HETATM 0 H1VA RCY A 176 74.694 3.789 -1.591 1.00 1.00 H new HETATM 0 H1MA RCY A 176 70.044 2.600 -2.706 1.00 1.00 H new HETATM 0 H1LA RCY A 176 70.685 5.631 -7.143 1.00 1.00 H new HETATM 0 H1CB RCY A 176 74.151 4.234 -4.709 1.00 1.00 H new HETATM 0 H1CA RCY A 176 73.015 5.570 -4.408 1.00 1.00 H new HETATM 0 H1V RCY A 176 73.416 2.568 -1.374 1.00 1.00 H new HETATM 0 H1U RCY A 176 72.254 2.358 -4.078 1.00 1.00 H new HETATM 0 H1S RCY A 176 68.366 4.743 -5.336 1.00 1.00 H new HETATM 0 H1M RCY A 176 71.459 1.934 -1.916 1.00 1.00 H new HETATM 0 H1L RCY A 176 69.417 4.479 -7.509 1.00 1.00 H new HETATM 0 H1C RCY A 176 74.519 5.451 -3.464 1.00 1.00 H new HETATM 1461 C1C RCY A 187 72.727 -2.818 -5.011 1.00 1.00 C HETATM 1462 O1G RCY A 187 70.635 -1.621 -7.023 1.00 1.00 O HETATM 1463 O1H RCY A 187 75.014 -0.108 -7.934 1.00 1.00 O HETATM 1464 O1J RCY A 187 75.730 -2.855 -5.241 1.00 1.00 O HETATM 1465 C1L RCY A 187 71.964 -1.476 -9.072 1.00 1.00 C HETATM 1466 C1M RCY A 187 74.100 0.616 -5.154 1.00 1.00 C HETATM 1467 C1P RCY A 187 71.680 -1.285 -7.577 1.00 1.00 C HETATM 1468 C1Q RCY A 187 73.807 -0.328 -8.015 1.00 1.00 C HETATM 1469 N1R RCY A 187 72.857 -0.624 -6.861 1.00 1.00 N HETATM 1470 C1S RCY A 187 72.985 -0.354 -9.291 1.00 1.00 C HETATM 1471 C1U RCY A 187 73.045 -0.332 -5.371 1.00 1.00 C HETATM 1472 C1V RCY A 187 73.381 -1.327 -3.067 1.00 1.00 C HETATM 1473 N1V RCY A 187 74.943 -1.649 -4.998 1.00 1.00 N HETATM 1474 C1W RCY A 187 75.401 -0.197 -5.111 1.00 1.00 C HETATM 1475 C1X RCY A 187 73.483 -1.560 -4.576 1.00 1.00 C HETATM 1476 C1Y RCY A 187 76.241 0.196 -3.892 1.00 1.00 C HETATM 1477 C1Z RCY A 187 76.206 -0.024 -6.398 1.00 1.00 C HETATM 0 H1ZB RCY A 187 75.613 -0.364 -7.247 1.00 1.00 H new HETATM 0 H1ZA RCY A 187 76.459 1.028 -6.530 1.00 1.00 H new HETATM 0 H1YB RCY A 187 76.489 1.256 -3.947 1.00 1.00 H new HETATM 0 H1YA RCY A 187 75.674 0.003 -2.982 1.00 1.00 H new HETATM 0 H1VB RCY A 187 72.334 -1.210 -2.787 1.00 1.00 H new HETATM 0 H1VA RCY A 187 73.805 -2.180 -2.538 1.00 1.00 H new HETATM 0 H1MA RCY A 187 74.129 1.356 -5.954 1.00 1.00 H new HETATM 0 H1LA RCY A 187 72.372 -2.461 -9.297 1.00 1.00 H new HETATM 0 H1CB RCY A 187 71.658 -2.673 -4.854 1.00 1.00 H new HETATM 0 H1CA RCY A 187 72.916 -3.009 -6.067 1.00 1.00 H new HETATM 0 H1Z RCY A 187 77.122 -0.612 -6.336 1.00 1.00 H new HETATM 0 H1Y RCY A 187 77.159 -0.391 -3.878 1.00 1.00 H new HETATM 0 H1V RCY A 187 73.931 -0.425 -2.800 1.00 1.00 H new HETATM 0 H1U RCY A 187 72.070 0.030 -5.044 1.00 1.00 H new HETATM 0 H1S RCY A 187 72.492 0.602 -9.464 1.00 1.00 H new HETATM 0 H1M RCY A 187 73.949 1.160 -4.222 1.00 1.00 H new HETATM 0 H1C RCY A 187 73.068 -3.669 -4.422 1.00 1.00 H new