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 168 RCY C1L :(H bumps) USER MOD NoAdj-H: A 71 GLU H : A 71 GLU N : A 168 RCY C1P :(H bumps) USER MOD NoAdj-H: A 72 ALA H : A 72 ALA N : A 168 RCY C1U :(H bumps) USER MOD NoAdj-H: A 73 CYS H : A 73 CYS N : A 168 RCY C1Y :(H bumps) USER MOD NoAdj-H: A 110 RCYH1SA : A 110 RCY C1S : A 10 CYS SG :(H bumps) USER MOD NoAdj-H: A 121 RCYH1SA : A 121 RCY C1S : A 21 CYS SG :(H bumps) USER MOD NoAdj-H: A 121 RCYH1CA : A 121 RCY C1C : A 17 MET CG :(H bumps) USER MOD NoAdj-H: A 121 RCY H1C : A 121 RCY C1C : A 17 MET CG :(H bumps) USER MOD NoAdj-H: A 130 RCYH1SA : A 130 RCY C1S : A 30 CYS SG :(H bumps) USER MOD NoAdj-H: A 138 RCYH1YA : A 138 RCY C1Y : A 150 RCY O1J :(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 RCYH1LA : A 138 RCY C1L : A 38 CYS O :(H bumps) USER MOD NoAdj-H: A 138 RCY H1L : A 138 RCY C1L : A 39 LYS CA :(H bumps) USER MOD NoAdj-H: A 150 RCYH1SA : A 150 RCY C1S : A 160 RCY N1V :(H bumps) USER MOD NoAdj-H: A 150 RCYH1LA : A 150 RCY C1L : A 160 RCY C1X :(H bumps) USER MOD NoAdj-H: A 150 RCY H1S : A 150 RCY C1S : A 160 RCY C1Y :(H bumps) USER MOD NoAdj-H: A 150 RCY H1L : A 150 RCY C1L : A 160 RCY C1X :(H bumps) USER MOD NoAdj-H: A 160 RCYH1ZB : A 160 RCY C1Z : A 50 CYS SG :(H bumps) USER MOD NoAdj-H: A 160 RCYH1YA : A 160 RCY C1Y : A 150 RCY C1S :(H bumps) USER MOD NoAdj-H: A 160 RCYH1VA : A 160 RCY C1V : A 150 RCY C1P :(H bumps) USER MOD NoAdj-H: A 160 RCYH1SA : A 160 RCY C1S : A 60 CYS SG :(H bumps) USER MOD NoAdj-H: A 168 RCYH1ZA : A 168 RCY C1Z : A 73 CYS SG :(H bumps) USER MOD NoAdj-H: A 168 RCYH1YB : A 168 RCY C1Y : A 73 CYS CA :(H bumps) USER MOD NoAdj-H: A 168 RCYH1YA : A 168 RCY C1Y : A 73 CYS CA :(H bumps) USER MOD NoAdj-H: A 168 RCYH1VA : A 168 RCY C1V : A 72 ALA C :(H bumps) USER MOD NoAdj-H: A 168 RCYH1SA : A 168 RCY C1S : A 68 CYS SG :(H bumps) USER MOD NoAdj-H: A 168 RCYH1LA : A 168 RCY C1L : A 70 TRP N :(H bumps) USER MOD NoAdj-H: A 168 RCY H1Y : A 168 RCY C1Y : A 73 CYS CA :(H bumps) USER MOD NoAdj-H: A 168 RCY H1V : A 168 RCY C1V : A 72 ALA C :(H bumps) USER MOD NoAdj-H: A 168 RCY H1U : A 168 RCY C1U : A 71 GLU CA :(H bumps) USER MOD NoAdj-H: A 168 RCY H1S : A 168 RCY C1S : A 68 CYS O :(H bumps) USER MOD NoAdj-H: A 168 RCY H1M : A 168 RCY C1M : A 173 RCY O1H :(H bumps) USER MOD NoAdj-H: A 168 RCY H1L : A 168 RCY C1L : A 69 PRO C :(H bumps) USER MOD NoAdj-H: A 173 RCYH1SA : A 173 RCY C1S : A 73 CYS SG :(H bumps) USER MOD NoAdj-H: A 176 RCYH1SA : A 176 RCY C1S : A 76 CYS SG :(H bumps) USER MOD NoAdj-H: A 176 RCYH1CA : A 176 RCY C1C : A 187 RCY C1Z :(H bumps) USER MOD NoAdj-H: A 176 RCY H1C : A 176 RCY C1C : A 187 RCY C1Z :(H bumps) USER MOD NoAdj-H: A 187 RCYH1ZA : A 187 RCY C1Z : A 176 RCY C1C :(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 H1Z : A 187 RCY C1Z : A 176 RCY C1C :(H bumps) USER MOD NoAdj-H: A 187 RCY H1Y : A 187 RCY C1Y : A 176 RCY N1V :(H bumps) USER MOD Single : A 1 MET CE :methyl -161:sc= -0.0204 (180deg=-0.702) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= -4.03! C(o=-4!,f=-2.5!) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -65:sc= 1.14 USER MOD Single : A 17 MET CE :methyl 180:sc= -0.207 (180deg=-0.207) USER MOD Single : A 22 THR OG1 : rot 180:sc=-0.00725 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -162:sc= -0.0175 (180deg=-0.694) USER MOD Single : A 31 LYS NZ :NH3+ 163:sc= 0 (180deg=-0.339) USER MOD Single : A 32 GLN : amide:sc= -5.11! C(o=-5.1!,f=-7.9!) USER MOD Single : A 34 GLN : amide:sc= -0.356 X(o=-0.36,f=0) USER MOD Single : A 35 THR OG1 : rot 62:sc= 0.964 USER MOD Single : A 37 GLN : amide:sc= -0.864 K(o=-0.86,f=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= -0.0435 USER MOD Single : A 41 LYS NZ :NH3+ 138:sc= -0.382 (180deg=-1.74!) USER MOD Single : A 44 LYS NZ :NH3+ 162:sc= -0.137 (180deg=-0.757) USER MOD Single : A 45 LYS NZ :NH3+ -121:sc= -1.72 (180deg=-4.68!) USER MOD Single : A 48 GLN : amide:sc= -4.24! C(o=-4.2!,f=-7.3!) USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot -129:sc= 0.104! USER MOD Single : A 65 THR OG1 : rot -170:sc= -3.9! USER MOD Single : A 74 ASN : amide:sc= -0.218 K(o=-0.22,f=-2.4!) USER MOD Single : A 75 HIS : no HD1:sc=-0.00793 X(o=-0.0079,f=-0.47) USER MOD Single : A 79 HIS : no HE2:sc= -13.9! C(o=-14!,f=-18!) USER MOD Single : A 83 GLN : amide:sc= -2.46! C(o=-2.5!,f=-9.3!) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 62.479 -7.165 26.292 1.00 1.00 N ATOM 2 CA MET A 1 61.668 -5.975 26.674 1.00 1.00 C ATOM 3 C MET A 1 62.383 -4.702 26.216 1.00 1.00 C ATOM 4 O MET A 1 61.803 -3.854 25.566 1.00 1.00 O ATOM 5 CB MET A 1 61.495 -5.942 28.195 1.00 1.00 C ATOM 6 CG MET A 1 60.404 -4.935 28.564 1.00 1.00 C ATOM 7 SD MET A 1 60.668 -4.352 30.257 1.00 1.00 S ATOM 8 CE MET A 1 60.561 -5.965 31.071 1.00 1.00 C ATOM 0 H1 MET A 1 61.993 -8.030 26.603 1.00 1.00 H new ATOM 0 H2 MET A 1 62.598 -7.187 25.259 1.00 1.00 H new ATOM 0 H3 MET A 1 63.413 -7.109 26.747 1.00 1.00 H new ATOM 0 HA MET A 1 60.690 -6.035 26.197 1.00 1.00 H new ATOM 0 HB2 MET A 1 61.229 -6.933 28.563 1.00 1.00 H new ATOM 0 HB3 MET A 1 62.435 -5.666 28.673 1.00 1.00 H new ATOM 0 HG2 MET A 1 60.422 -4.094 27.871 1.00 1.00 H new ATOM 0 HG3 MET A 1 59.422 -5.399 28.477 1.00 1.00 H new ATOM 0 HE1 MET A 1 60.360 -5.824 32.133 1.00 1.00 H new ATOM 0 HE2 MET A 1 59.755 -6.546 30.623 1.00 1.00 H new ATOM 0 HE3 MET A 1 61.504 -6.498 30.948 1.00 1.00 H new ATOM 17 N ASN A 2 63.637 -4.560 26.548 1.00 1.00 N ATOM 18 CA ASN A 2 64.385 -3.341 26.129 1.00 1.00 C ATOM 19 C ASN A 2 64.516 -3.326 24.605 1.00 1.00 C ATOM 20 O ASN A 2 63.975 -2.469 23.936 1.00 1.00 O ATOM 21 CB ASN A 2 65.777 -3.350 26.764 1.00 1.00 C ATOM 22 CG ASN A 2 66.364 -4.761 26.689 1.00 1.00 C ATOM 23 OD1 ASN A 2 67.211 -5.036 25.863 1.00 1.00 O ATOM 24 ND2 ASN A 2 65.945 -5.674 27.523 1.00 1.00 N ATOM 0 H ASN A 2 64.176 -5.235 27.091 1.00 1.00 H new ATOM 0 HA ASN A 2 63.846 -2.452 26.457 1.00 1.00 H new ATOM 0 HB2 ASN A 2 66.429 -2.646 26.247 1.00 1.00 H new ATOM 0 HB3 ASN A 2 65.717 -3.025 27.803 1.00 1.00 H new ATOM 0 HD21 ASN A 2 66.329 -6.618 27.481 1.00 1.00 H new ATOM 0 HD22 ASN A 2 65.234 -5.443 28.217 1.00 1.00 H new ATOM 31 N LEU A 3 65.228 -4.267 24.049 1.00 1.00 N ATOM 32 CA LEU A 3 65.385 -4.300 22.568 1.00 1.00 C ATOM 33 C LEU A 3 64.007 -4.444 21.919 1.00 1.00 C ATOM 34 O LEU A 3 63.184 -5.224 22.356 1.00 1.00 O ATOM 35 CB LEU A 3 66.278 -5.482 22.166 1.00 1.00 C ATOM 36 CG LEU A 3 65.692 -6.785 22.713 1.00 1.00 C ATOM 37 CD1 LEU A 3 64.920 -7.503 21.605 1.00 1.00 C ATOM 38 CD2 LEU A 3 66.827 -7.684 23.208 1.00 1.00 C ATOM 0 H LEU A 3 65.707 -5.012 24.555 1.00 1.00 H new ATOM 0 HA LEU A 3 65.851 -3.375 22.229 1.00 1.00 H new ATOM 0 HB2 LEU A 3 66.358 -5.536 21.080 1.00 1.00 H new ATOM 0 HB3 LEU A 3 67.286 -5.336 22.553 1.00 1.00 H new ATOM 0 HG LEU A 3 65.017 -6.561 23.539 1.00 1.00 H new ATOM 0 HD11 LEU A 3 64.503 -8.431 21.995 1.00 1.00 H new ATOM 0 HD12 LEU A 3 64.112 -6.863 21.251 1.00 1.00 H new ATOM 0 HD13 LEU A 3 65.594 -7.727 20.778 1.00 1.00 H new ATOM 0 HD21 LEU A 3 66.411 -8.613 23.598 1.00 1.00 H new ATOM 0 HD22 LEU A 3 67.501 -7.907 22.381 1.00 1.00 H new ATOM 0 HD23 LEU A 3 67.378 -7.173 23.998 1.00 1.00 H new ATOM 50 N GLU A 4 63.748 -3.696 20.883 1.00 1.00 N ATOM 51 CA GLU A 4 62.421 -3.788 20.209 1.00 1.00 C ATOM 52 C GLU A 4 62.259 -5.184 19.596 1.00 1.00 C ATOM 53 O GLU A 4 63.229 -5.838 19.269 1.00 1.00 O ATOM 54 CB GLU A 4 62.343 -2.725 19.106 1.00 1.00 C ATOM 55 CG GLU A 4 61.928 -1.385 19.716 1.00 1.00 C ATOM 56 CD GLU A 4 60.445 -1.431 20.091 1.00 1.00 C ATOM 57 OE1 GLU A 4 59.625 -1.341 19.192 1.00 1.00 O ATOM 58 OE2 GLU A 4 60.156 -1.555 21.269 1.00 1.00 O ATOM 0 H GLU A 4 64.397 -3.025 20.473 1.00 1.00 H new ATOM 0 HA GLU A 4 61.624 -3.619 20.933 1.00 1.00 H new ATOM 0 HB2 GLU A 4 63.309 -2.628 18.611 1.00 1.00 H new ATOM 0 HB3 GLU A 4 61.624 -3.028 18.345 1.00 1.00 H new ATOM 0 HG2 GLU A 4 62.531 -1.173 20.599 1.00 1.00 H new ATOM 0 HG3 GLU A 4 62.109 -0.578 19.006 1.00 1.00 H new ATOM 65 N PRO A 5 61.041 -5.639 19.440 1.00 1.00 N ATOM 66 CA PRO A 5 60.753 -6.984 18.857 1.00 1.00 C ATOM 67 C PRO A 5 61.369 -7.146 17.462 1.00 1.00 C ATOM 68 O PRO A 5 61.767 -6.184 16.836 1.00 1.00 O ATOM 69 CB PRO A 5 59.217 -7.051 18.788 1.00 1.00 C ATOM 70 CG PRO A 5 58.734 -5.651 18.986 1.00 1.00 C ATOM 71 CD PRO A 5 59.808 -4.924 19.795 1.00 1.00 C ATOM 0 HA PRO A 5 61.183 -7.785 19.459 1.00 1.00 H new ATOM 0 HB2 PRO A 5 58.887 -7.445 17.827 1.00 1.00 H new ATOM 0 HB3 PRO A 5 58.820 -7.713 19.558 1.00 1.00 H new ATOM 0 HG2 PRO A 5 58.573 -5.158 18.027 1.00 1.00 H new ATOM 0 HG3 PRO A 5 57.780 -5.642 19.514 1.00 1.00 H new ATOM 0 HD2 PRO A 5 59.865 -3.868 19.530 1.00 1.00 H new ATOM 0 HD3 PRO A 5 59.608 -4.974 20.865 1.00 1.00 H new ATOM 79 N PRO A 6 61.448 -8.360 16.984 1.00 1.00 N ATOM 80 CA PRO A 6 62.028 -8.662 15.642 1.00 1.00 C ATOM 81 C PRO A 6 61.179 -8.091 14.501 1.00 1.00 C ATOM 82 O PRO A 6 59.995 -7.862 14.649 1.00 1.00 O ATOM 83 CB PRO A 6 62.053 -10.195 15.585 1.00 1.00 C ATOM 84 CG PRO A 6 61.034 -10.647 16.578 1.00 1.00 C ATOM 85 CD PRO A 6 60.989 -9.578 17.670 1.00 1.00 C ATOM 0 HA PRO A 6 63.012 -8.211 15.517 1.00 1.00 H new ATOM 0 HB2 PRO A 6 61.813 -10.555 14.584 1.00 1.00 H new ATOM 0 HB3 PRO A 6 63.042 -10.581 15.834 1.00 1.00 H new ATOM 0 HG2 PRO A 6 60.058 -10.762 16.107 1.00 1.00 H new ATOM 0 HG3 PRO A 6 61.303 -11.617 16.996 1.00 1.00 H new ATOM 0 HD2 PRO A 6 59.983 -9.457 18.071 1.00 1.00 H new ATOM 0 HD3 PRO A 6 61.637 -9.834 18.508 1.00 1.00 H new ATOM 93 N LYS A 7 61.779 -7.860 13.366 1.00 1.00 N ATOM 94 CA LYS A 7 61.014 -7.304 12.214 1.00 1.00 C ATOM 95 C LYS A 7 59.867 -8.251 11.853 1.00 1.00 C ATOM 96 O LYS A 7 59.965 -9.451 12.014 1.00 1.00 O ATOM 97 CB LYS A 7 61.947 -7.145 11.007 1.00 1.00 C ATOM 98 CG LYS A 7 62.686 -8.459 10.747 1.00 1.00 C ATOM 99 CD LYS A 7 62.002 -9.212 9.604 1.00 1.00 C ATOM 100 CE LYS A 7 62.774 -10.499 9.306 1.00 1.00 C ATOM 101 NZ LYS A 7 62.019 -11.312 8.311 1.00 1.00 N ATOM 0 H LYS A 7 62.768 -8.033 13.186 1.00 1.00 H new ATOM 0 HA LYS A 7 60.606 -6.331 12.488 1.00 1.00 H new ATOM 0 HB2 LYS A 7 61.372 -6.860 10.126 1.00 1.00 H new ATOM 0 HB3 LYS A 7 62.663 -6.345 11.192 1.00 1.00 H new ATOM 0 HG2 LYS A 7 63.727 -8.259 10.493 1.00 1.00 H new ATOM 0 HG3 LYS A 7 62.690 -9.071 11.649 1.00 1.00 H new ATOM 0 HD2 LYS A 7 60.973 -9.447 9.874 1.00 1.00 H new ATOM 0 HD3 LYS A 7 61.962 -8.585 8.713 1.00 1.00 H new ATOM 0 HE2 LYS A 7 63.765 -10.260 8.920 1.00 1.00 H new ATOM 0 HE3 LYS A 7 62.919 -11.070 10.223 1.00 1.00 H new ATOM 0 HZ1 LYS A 7 62.543 -12.187 8.108 1.00 1.00 H new ATOM 0 HZ2 LYS A 7 61.083 -11.551 8.696 1.00 1.00 H new ATOM 0 HZ3 LYS A 7 61.903 -10.766 7.433 1.00 1.00 H new ATOM 115 N ALA A 8 58.780 -7.718 11.362 1.00 1.00 N ATOM 116 CA ALA A 8 57.624 -8.583 10.987 1.00 1.00 C ATOM 117 C ALA A 8 57.709 -8.929 9.498 1.00 1.00 C ATOM 118 O ALA A 8 58.778 -9.132 8.959 1.00 1.00 O ATOM 119 CB ALA A 8 56.318 -7.835 11.261 1.00 1.00 C ATOM 0 H ALA A 8 58.643 -6.720 11.204 1.00 1.00 H new ATOM 0 HA ALA A 8 57.649 -9.500 11.576 1.00 1.00 H new ATOM 0 HB1 ALA A 8 55.473 -8.466 10.987 1.00 1.00 H new ATOM 0 HB2 ALA A 8 56.257 -7.586 12.320 1.00 1.00 H new ATOM 0 HB3 ALA A 8 56.293 -6.919 10.671 1.00 1.00 H new ATOM 125 N GLU A 9 56.589 -8.997 8.830 1.00 1.00 N ATOM 126 CA GLU A 9 56.604 -9.330 7.376 1.00 1.00 C ATOM 127 C GLU A 9 56.631 -8.039 6.556 1.00 1.00 C ATOM 128 O GLU A 9 56.898 -6.971 7.070 1.00 1.00 O ATOM 129 CB GLU A 9 55.348 -10.130 7.024 1.00 1.00 C ATOM 130 CG GLU A 9 55.155 -11.254 8.044 1.00 1.00 C ATOM 131 CD GLU A 9 56.377 -12.174 8.028 1.00 1.00 C ATOM 132 OE1 GLU A 9 56.573 -12.849 7.030 1.00 1.00 O ATOM 133 OE2 GLU A 9 57.097 -12.188 9.013 1.00 1.00 O ATOM 0 H GLU A 9 55.664 -8.836 9.228 1.00 1.00 H new ATOM 0 HA GLU A 9 57.490 -9.923 7.149 1.00 1.00 H new ATOM 0 HB2 GLU A 9 54.477 -9.475 7.020 1.00 1.00 H new ATOM 0 HB3 GLU A 9 55.439 -10.547 6.021 1.00 1.00 H new ATOM 0 HG2 GLU A 9 55.015 -10.835 9.040 1.00 1.00 H new ATOM 0 HG3 GLU A 9 54.255 -11.823 7.808 1.00 1.00 H new ATOM 140 N CYS A 10 56.356 -8.128 5.283 1.00 1.00 N ATOM 141 CA CYS A 10 56.364 -6.907 4.429 1.00 1.00 C ATOM 142 C CYS A 10 54.997 -6.224 4.501 1.00 1.00 C ATOM 143 O CYS A 10 54.018 -6.716 3.974 1.00 1.00 O ATOM 144 CB CYS A 10 56.660 -7.301 2.980 1.00 1.00 C ATOM 145 SG CYS A 10 55.402 -8.467 2.402 1.00 1.00 S ATOM 0 H CYS A 10 56.126 -8.995 4.797 1.00 1.00 H new ATOM 0 HA CYS A 10 57.132 -6.220 4.785 1.00 1.00 H new ATOM 0 HB2 CYS A 10 56.668 -6.415 2.346 1.00 1.00 H new ATOM 0 HB3 CYS A 10 57.649 -7.753 2.910 1.00 1.00 H new ATOM 150 N ARG A 11 54.921 -5.093 5.148 1.00 1.00 N ATOM 151 CA ARG A 11 53.616 -4.377 5.253 1.00 1.00 C ATOM 152 C ARG A 11 53.508 -3.357 4.116 1.00 1.00 C ATOM 153 O ARG A 11 52.534 -2.640 4.004 1.00 1.00 O ATOM 154 CB ARG A 11 53.535 -3.649 6.602 1.00 1.00 C ATOM 155 CG ARG A 11 53.131 -4.637 7.698 1.00 1.00 C ATOM 156 CD ARG A 11 54.376 -5.350 8.228 1.00 1.00 C ATOM 157 NE ARG A 11 55.111 -4.443 9.154 1.00 1.00 N ATOM 158 CZ ARG A 11 54.691 -4.282 10.379 1.00 1.00 C ATOM 159 NH1 ARG A 11 53.627 -4.915 10.793 1.00 1.00 N ATOM 160 NH2 ARG A 11 55.334 -3.488 11.191 1.00 1.00 N ATOM 0 H ARG A 11 55.706 -4.633 5.609 1.00 1.00 H new ATOM 0 HA ARG A 11 52.799 -5.095 5.181 1.00 1.00 H new ATOM 0 HB2 ARG A 11 54.498 -3.199 6.842 1.00 1.00 H new ATOM 0 HB3 ARG A 11 52.810 -2.837 6.545 1.00 1.00 H new ATOM 0 HG2 ARG A 11 52.628 -4.111 8.509 1.00 1.00 H new ATOM 0 HG3 ARG A 11 52.423 -5.365 7.303 1.00 1.00 H new ATOM 0 HD2 ARG A 11 54.091 -6.265 8.748 1.00 1.00 H new ATOM 0 HD3 ARG A 11 55.021 -5.642 7.400 1.00 1.00 H new ATOM 0 HE ARG A 11 55.942 -3.948 8.830 1.00 1.00 H new ATOM 0 HH11 ARG A 11 53.124 -5.536 10.159 1.00 1.00 H new ATOM 0 HH12 ARG A 11 53.299 -4.789 11.751 1.00 1.00 H new ATOM 0 HH21 ARG A 11 56.165 -2.993 10.868 1.00 1.00 H new ATOM 0 HH22 ARG A 11 55.005 -3.363 12.148 1.00 1.00 H new ATOM 174 N SER A 12 54.502 -3.288 3.273 1.00 1.00 N ATOM 175 CA SER A 12 54.456 -2.315 2.144 1.00 1.00 C ATOM 176 C SER A 12 54.133 -0.921 2.684 1.00 1.00 C ATOM 177 O SER A 12 55.014 -0.154 3.016 1.00 1.00 O ATOM 178 CB SER A 12 53.377 -2.740 1.148 1.00 1.00 C ATOM 179 OG SER A 12 53.756 -3.967 0.540 1.00 1.00 O ATOM 0 H SER A 12 55.344 -3.863 3.317 1.00 1.00 H new ATOM 0 HA SER A 12 55.424 -2.294 1.643 1.00 1.00 H new ATOM 0 HB2 SER A 12 52.420 -2.854 1.657 1.00 1.00 H new ATOM 0 HB3 SER A 12 53.244 -1.970 0.388 1.00 1.00 H new ATOM 0 HG SER A 12 53.065 -4.243 -0.098 1.00 1.00 H new ATOM 185 N ALA A 13 52.874 -0.587 2.773 1.00 1.00 N ATOM 186 CA ALA A 13 52.490 0.758 3.290 1.00 1.00 C ATOM 187 C ALA A 13 52.828 1.826 2.246 1.00 1.00 C ATOM 188 O ALA A 13 52.198 2.863 2.179 1.00 1.00 O ATOM 189 CB ALA A 13 53.251 1.045 4.590 1.00 1.00 C ATOM 0 H ALA A 13 52.094 -1.189 2.510 1.00 1.00 H new ATOM 0 HA ALA A 13 51.418 0.777 3.489 1.00 1.00 H new ATOM 0 HB1 ALA A 13 52.970 2.028 4.967 1.00 1.00 H new ATOM 0 HB2 ALA A 13 53.002 0.287 5.332 1.00 1.00 H new ATOM 0 HB3 ALA A 13 54.323 1.024 4.396 1.00 1.00 H new ATOM 195 N THR A 14 53.818 1.583 1.431 1.00 1.00 N ATOM 196 CA THR A 14 54.193 2.585 0.394 1.00 1.00 C ATOM 197 C THR A 14 54.967 1.894 -0.730 1.00 1.00 C ATOM 198 O THR A 14 55.976 2.387 -1.196 1.00 1.00 O ATOM 199 CB THR A 14 55.072 3.668 1.026 1.00 1.00 C ATOM 200 OG1 THR A 14 55.616 4.490 0.003 1.00 1.00 O ATOM 201 CG2 THR A 14 56.207 3.012 1.814 1.00 1.00 C ATOM 0 H THR A 14 54.383 0.734 1.439 1.00 1.00 H new ATOM 0 HA THR A 14 53.290 3.040 -0.014 1.00 1.00 H new ATOM 0 HB THR A 14 54.470 4.277 1.701 1.00 1.00 H new ATOM 0 HG1 THR A 14 56.223 3.960 -0.554 1.00 1.00 H new ATOM 0 HG21 THR A 14 56.832 3.784 2.263 1.00 1.00 H new ATOM 0 HG22 THR A 14 55.788 2.382 2.599 1.00 1.00 H new ATOM 0 HG23 THR A 14 56.811 2.402 1.142 1.00 1.00 H new ATOM 209 N ARG A 15 54.505 0.756 -1.170 1.00 1.00 N ATOM 210 CA ARG A 15 55.218 0.037 -2.264 1.00 1.00 C ATOM 211 C ARG A 15 56.700 -0.093 -1.898 1.00 1.00 C ATOM 212 O ARG A 15 57.131 0.349 -0.851 1.00 1.00 O ATOM 213 CB ARG A 15 55.073 0.830 -3.571 1.00 1.00 C ATOM 214 CG ARG A 15 55.005 -0.138 -4.754 1.00 1.00 C ATOM 215 CD ARG A 15 55.341 0.610 -6.046 1.00 1.00 C ATOM 216 NE ARG A 15 54.887 -0.193 -7.216 1.00 1.00 N ATOM 217 CZ ARG A 15 53.615 -0.282 -7.493 1.00 1.00 C ATOM 218 NH1 ARG A 15 52.740 0.331 -6.744 1.00 1.00 N ATOM 219 NH2 ARG A 15 53.218 -0.985 -8.518 1.00 1.00 N ATOM 0 H ARG A 15 53.666 0.293 -0.820 1.00 1.00 H new ATOM 0 HA ARG A 15 54.789 -0.956 -2.396 1.00 1.00 H new ATOM 0 HB2 ARG A 15 54.173 1.443 -3.538 1.00 1.00 H new ATOM 0 HB3 ARG A 15 55.917 1.509 -3.692 1.00 1.00 H new ATOM 0 HG2 ARG A 15 55.705 -0.961 -4.605 1.00 1.00 H new ATOM 0 HG3 ARG A 15 54.009 -0.575 -4.823 1.00 1.00 H new ATOM 0 HD2 ARG A 15 54.856 1.586 -6.051 1.00 1.00 H new ATOM 0 HD3 ARG A 15 56.415 0.788 -6.108 1.00 1.00 H new ATOM 0 HE ARG A 15 55.571 -0.673 -7.801 1.00 1.00 H new ATOM 0 HH11 ARG A 15 53.050 0.880 -5.942 1.00 1.00 H new ATOM 0 HH12 ARG A 15 51.746 0.262 -6.960 1.00 1.00 H new ATOM 0 HH21 ARG A 15 53.902 -1.465 -9.103 1.00 1.00 H new ATOM 0 HH22 ARG A 15 52.224 -1.055 -8.734 1.00 1.00 H new ATOM 233 N VAL A 16 57.484 -0.695 -2.750 1.00 1.00 N ATOM 234 CA VAL A 16 58.935 -0.850 -2.445 1.00 1.00 C ATOM 235 C VAL A 16 59.507 0.498 -1.995 1.00 1.00 C ATOM 236 O VAL A 16 59.557 0.799 -0.819 1.00 1.00 O ATOM 237 CB VAL A 16 59.672 -1.328 -3.698 1.00 1.00 C ATOM 238 CG1 VAL A 16 61.139 -1.595 -3.357 1.00 1.00 C ATOM 239 CG2 VAL A 16 59.025 -2.618 -4.208 1.00 1.00 C ATOM 0 H VAL A 16 57.183 -1.086 -3.643 1.00 1.00 H new ATOM 0 HA VAL A 16 59.064 -1.583 -1.649 1.00 1.00 H new ATOM 0 HB VAL A 16 59.612 -0.560 -4.470 1.00 1.00 H new ATOM 0 HG11 VAL A 16 61.664 -1.935 -4.250 1.00 1.00 H new ATOM 0 HG12 VAL A 16 61.601 -0.677 -2.992 1.00 1.00 H new ATOM 0 HG13 VAL A 16 61.199 -2.363 -2.586 1.00 1.00 H new ATOM 0 HG21 VAL A 16 59.549 -2.960 -5.101 1.00 1.00 H new ATOM 0 HG22 VAL A 16 59.085 -3.385 -3.436 1.00 1.00 H new ATOM 0 HG23 VAL A 16 57.979 -2.429 -4.451 1.00 1.00 H new ATOM 249 N MET A 17 59.934 1.313 -2.923 1.00 1.00 N ATOM 250 CA MET A 17 60.500 2.643 -2.552 1.00 1.00 C ATOM 251 C MET A 17 60.099 3.673 -3.610 1.00 1.00 C ATOM 252 O MET A 17 60.016 3.370 -4.784 1.00 1.00 O ATOM 253 CB MET A 17 62.028 2.551 -2.483 1.00 1.00 C ATOM 254 CG MET A 17 62.442 1.891 -1.166 1.00 1.00 C ATOM 255 SD MET A 17 62.118 3.026 0.206 1.00 1.00 S ATOM 256 CE MET A 17 63.817 3.609 0.423 1.00 1.00 C ATOM 0 H MET A 17 59.915 1.115 -3.923 1.00 1.00 H new ATOM 0 HA MET A 17 60.113 2.945 -1.579 1.00 1.00 H new ATOM 0 HB2 MET A 17 62.406 1.973 -3.326 1.00 1.00 H new ATOM 0 HB3 MET A 17 62.466 3.546 -2.557 1.00 1.00 H new ATOM 0 HG2 MET A 17 61.889 0.963 -1.022 1.00 1.00 H new ATOM 0 HG3 MET A 17 63.500 1.630 -1.194 1.00 1.00 H new ATOM 0 HE1 MET A 17 63.852 4.334 1.236 1.00 1.00 H new ATOM 0 HE2 MET A 17 64.464 2.765 0.662 1.00 1.00 H new ATOM 0 HE3 MET A 17 64.160 4.080 -0.498 1.00 1.00 H new ATOM 266 N GLY A 18 59.850 4.887 -3.205 1.00 1.00 N ATOM 267 CA GLY A 18 59.455 5.934 -4.190 1.00 1.00 C ATOM 268 C GLY A 18 58.266 5.439 -5.015 1.00 1.00 C ATOM 269 O GLY A 18 57.681 4.414 -4.726 1.00 1.00 O ATOM 0 H GLY A 18 59.903 5.200 -2.236 1.00 1.00 H new ATOM 0 HA2 GLY A 18 59.192 6.856 -3.671 1.00 1.00 H new ATOM 0 HA3 GLY A 18 60.294 6.166 -4.846 1.00 1.00 H new ATOM 273 N GLY A 19 57.904 6.159 -6.042 1.00 1.00 N ATOM 274 CA GLY A 19 56.753 5.731 -6.887 1.00 1.00 C ATOM 275 C GLY A 19 57.044 4.355 -7.492 1.00 1.00 C ATOM 276 O GLY A 19 57.928 3.649 -7.049 1.00 1.00 O ATOM 0 H GLY A 19 58.356 7.026 -6.332 1.00 1.00 H new ATOM 0 HA2 GLY A 19 55.844 5.691 -6.287 1.00 1.00 H new ATOM 0 HA3 GLY A 19 56.580 6.459 -7.680 1.00 1.00 H new ATOM 280 N PRO A 20 56.301 3.979 -8.500 1.00 1.00 N ATOM 281 CA PRO A 20 56.474 2.665 -9.184 1.00 1.00 C ATOM 282 C PRO A 20 57.943 2.369 -9.509 1.00 1.00 C ATOM 283 O PRO A 20 58.411 2.618 -10.602 1.00 1.00 O ATOM 284 CB PRO A 20 55.651 2.817 -10.466 1.00 1.00 C ATOM 285 CG PRO A 20 54.597 3.819 -10.132 1.00 1.00 C ATOM 286 CD PRO A 20 55.210 4.766 -9.098 1.00 1.00 C ATOM 0 HA PRO A 20 56.152 1.832 -8.559 1.00 1.00 H new ATOM 0 HB2 PRO A 20 56.271 3.158 -11.295 1.00 1.00 H new ATOM 0 HB3 PRO A 20 55.211 1.867 -10.767 1.00 1.00 H new ATOM 0 HG2 PRO A 20 54.285 4.366 -11.022 1.00 1.00 H new ATOM 0 HG3 PRO A 20 53.709 3.329 -9.732 1.00 1.00 H new ATOM 0 HD2 PRO A 20 55.584 5.678 -9.564 1.00 1.00 H new ATOM 0 HD3 PRO A 20 54.478 5.068 -8.349 1.00 1.00 H new ATOM 294 N CYS A 21 58.671 1.839 -8.566 1.00 1.00 N ATOM 295 CA CYS A 21 60.106 1.527 -8.818 1.00 1.00 C ATOM 296 C CYS A 21 60.206 0.256 -9.665 1.00 1.00 C ATOM 297 O CYS A 21 59.431 -0.667 -9.513 1.00 1.00 O ATOM 298 CB CYS A 21 60.823 1.320 -7.477 1.00 1.00 C ATOM 299 SG CYS A 21 61.891 -0.138 -7.580 1.00 1.00 S ATOM 0 H CYS A 21 58.334 1.608 -7.631 1.00 1.00 H new ATOM 0 HA CYS A 21 60.576 2.352 -9.353 1.00 1.00 H new ATOM 0 HB2 CYS A 21 61.416 2.201 -7.230 1.00 1.00 H new ATOM 0 HB3 CYS A 21 60.093 1.193 -6.678 1.00 1.00 H new ATOM 304 N THR A 22 61.161 0.200 -10.557 1.00 1.00 N ATOM 305 CA THR A 22 61.317 -1.012 -11.413 1.00 1.00 C ATOM 306 C THR A 22 62.812 -1.285 -11.636 1.00 1.00 C ATOM 307 O THR A 22 63.580 -0.374 -11.874 1.00 1.00 O ATOM 308 CB THR A 22 60.639 -0.770 -12.765 1.00 1.00 C ATOM 309 OG1 THR A 22 60.684 -1.963 -13.535 1.00 1.00 O ATOM 310 CG2 THR A 22 61.368 0.349 -13.511 1.00 1.00 C ATOM 0 H THR A 22 61.839 0.942 -10.729 1.00 1.00 H new ATOM 0 HA THR A 22 60.856 -1.869 -10.922 1.00 1.00 H new ATOM 0 HB THR A 22 59.601 -0.479 -12.604 1.00 1.00 H new ATOM 0 HG1 THR A 22 60.249 -1.811 -14.400 1.00 1.00 H new ATOM 0 HG21 THR A 22 60.885 0.520 -14.473 1.00 1.00 H new ATOM 0 HG22 THR A 22 61.333 1.264 -12.919 1.00 1.00 H new ATOM 0 HG23 THR A 22 62.407 0.062 -13.673 1.00 1.00 H new ATOM 318 N PRO A 23 63.227 -2.528 -11.564 1.00 1.00 N ATOM 319 CA PRO A 23 64.652 -2.907 -11.766 1.00 1.00 C ATOM 320 C PRO A 23 65.311 -2.111 -12.899 1.00 1.00 C ATOM 321 O PRO A 23 64.747 -1.950 -13.963 1.00 1.00 O ATOM 322 CB PRO A 23 64.574 -4.391 -12.122 1.00 1.00 C ATOM 323 CG PRO A 23 63.351 -4.892 -11.424 1.00 1.00 C ATOM 324 CD PRO A 23 62.389 -3.706 -11.287 1.00 1.00 C ATOM 0 HA PRO A 23 65.261 -2.699 -10.886 1.00 1.00 H new ATOM 0 HB2 PRO A 23 64.500 -4.535 -13.200 1.00 1.00 H new ATOM 0 HB3 PRO A 23 65.465 -4.924 -11.789 1.00 1.00 H new ATOM 0 HG2 PRO A 23 62.888 -5.699 -11.991 1.00 1.00 H new ATOM 0 HG3 PRO A 23 63.606 -5.296 -10.444 1.00 1.00 H new ATOM 0 HD2 PRO A 23 61.561 -3.781 -11.992 1.00 1.00 H new ATOM 0 HD3 PRO A 23 61.954 -3.659 -10.289 1.00 1.00 H new ATOM 332 N ARG A 24 66.500 -1.616 -12.676 1.00 1.00 N ATOM 333 CA ARG A 24 67.204 -0.832 -13.735 1.00 1.00 C ATOM 334 C ARG A 24 68.613 -1.395 -13.929 1.00 1.00 C ATOM 335 O ARG A 24 69.533 -1.052 -13.214 1.00 1.00 O ATOM 336 CB ARG A 24 67.296 0.636 -13.308 1.00 1.00 C ATOM 337 CG ARG A 24 68.115 1.418 -14.337 1.00 1.00 C ATOM 338 CD ARG A 24 67.845 2.915 -14.174 1.00 1.00 C ATOM 339 NE ARG A 24 66.515 3.246 -14.759 1.00 1.00 N ATOM 340 CZ ARG A 24 66.148 4.493 -14.882 1.00 1.00 C ATOM 341 NH1 ARG A 24 66.946 5.449 -14.492 1.00 1.00 N ATOM 342 NH2 ARG A 24 64.984 4.783 -15.394 1.00 1.00 N ATOM 0 H ARG A 24 67.016 -1.721 -11.803 1.00 1.00 H new ATOM 0 HA ARG A 24 66.650 -0.903 -14.671 1.00 1.00 H new ATOM 0 HB2 ARG A 24 66.297 1.064 -13.222 1.00 1.00 H new ATOM 0 HB3 ARG A 24 67.761 0.711 -12.325 1.00 1.00 H new ATOM 0 HG2 ARG A 24 69.177 1.213 -14.204 1.00 1.00 H new ATOM 0 HG3 ARG A 24 67.852 1.098 -15.345 1.00 1.00 H new ATOM 0 HD2 ARG A 24 67.868 3.187 -13.119 1.00 1.00 H new ATOM 0 HD3 ARG A 24 68.626 3.492 -14.669 1.00 1.00 H new ATOM 0 HE ARG A 24 65.891 2.498 -15.063 1.00 1.00 H new ATOM 0 HH11 ARG A 24 67.856 5.222 -14.091 1.00 1.00 H new ATOM 0 HH12 ARG A 24 66.660 6.423 -14.588 1.00 1.00 H new ATOM 0 HH21 ARG A 24 64.360 4.036 -15.698 1.00 1.00 H new ATOM 0 HH22 ARG A 24 64.697 5.757 -15.490 1.00 1.00 H new ATOM 356 N LYS A 25 68.789 -2.260 -14.891 1.00 1.00 N ATOM 357 CA LYS A 25 70.138 -2.849 -15.132 1.00 1.00 C ATOM 358 C LYS A 25 70.872 -2.031 -16.196 1.00 1.00 C ATOM 359 O LYS A 25 70.377 -1.030 -16.674 1.00 1.00 O ATOM 360 CB LYS A 25 69.983 -4.292 -15.618 1.00 1.00 C ATOM 361 CG LYS A 25 69.054 -4.325 -16.833 1.00 1.00 C ATOM 362 CD LYS A 25 68.994 -5.748 -17.392 1.00 1.00 C ATOM 363 CE LYS A 25 68.395 -5.720 -18.799 1.00 1.00 C ATOM 364 NZ LYS A 25 68.414 -7.094 -19.375 1.00 1.00 N ATOM 0 H LYS A 25 68.056 -2.585 -15.521 1.00 1.00 H new ATOM 0 HA LYS A 25 70.711 -2.835 -14.205 1.00 1.00 H new ATOM 0 HB2 LYS A 25 70.957 -4.705 -15.880 1.00 1.00 H new ATOM 0 HB3 LYS A 25 69.578 -4.914 -14.820 1.00 1.00 H new ATOM 0 HG2 LYS A 25 68.056 -3.992 -16.550 1.00 1.00 H new ATOM 0 HG3 LYS A 25 69.414 -3.637 -17.598 1.00 1.00 H new ATOM 0 HD2 LYS A 25 69.994 -6.181 -17.420 1.00 1.00 H new ATOM 0 HD3 LYS A 25 68.390 -6.380 -16.741 1.00 1.00 H new ATOM 0 HE2 LYS A 25 67.373 -5.343 -18.763 1.00 1.00 H new ATOM 0 HE3 LYS A 25 68.963 -5.040 -19.434 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 68.007 -7.075 -20.332 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 69.395 -7.437 -19.423 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 67.854 -7.731 -18.773 1.00 1.00 H new ATOM 378 N GLY A 26 72.049 -2.451 -16.574 1.00 1.00 N ATOM 379 CA GLY A 26 72.811 -1.699 -17.610 1.00 1.00 C ATOM 380 C GLY A 26 73.978 -2.558 -18.109 1.00 1.00 C ATOM 381 O GLY A 26 74.417 -3.467 -17.432 1.00 1.00 O ATOM 0 H GLY A 26 72.515 -3.282 -16.210 1.00 1.00 H new ATOM 0 HA2 GLY A 26 72.156 -1.438 -18.441 1.00 1.00 H new ATOM 0 HA3 GLY A 26 73.186 -0.764 -17.194 1.00 1.00 H new ATOM 385 N PRO A 27 74.477 -2.273 -19.284 1.00 1.00 N ATOM 386 CA PRO A 27 75.613 -3.032 -19.880 1.00 1.00 C ATOM 387 C PRO A 27 76.714 -3.335 -18.849 1.00 1.00 C ATOM 388 O PRO A 27 77.277 -2.432 -18.263 1.00 1.00 O ATOM 389 CB PRO A 27 76.143 -2.082 -20.957 1.00 1.00 C ATOM 390 CG PRO A 27 74.962 -1.270 -21.377 1.00 1.00 C ATOM 391 CD PRO A 27 74.016 -1.195 -20.174 1.00 1.00 C ATOM 0 HA PRO A 27 75.301 -4.004 -20.262 1.00 1.00 H new ATOM 0 HB2 PRO A 27 76.938 -1.448 -20.566 1.00 1.00 H new ATOM 0 HB3 PRO A 27 76.561 -2.634 -21.799 1.00 1.00 H new ATOM 0 HG2 PRO A 27 75.271 -0.272 -21.687 1.00 1.00 H new ATOM 0 HG3 PRO A 27 74.463 -1.728 -22.231 1.00 1.00 H new ATOM 0 HD2 PRO A 27 74.071 -0.223 -19.684 1.00 1.00 H new ATOM 0 HD3 PRO A 27 72.978 -1.342 -20.474 1.00 1.00 H new ATOM 399 N PRO A 28 77.029 -4.591 -18.630 1.00 1.00 N ATOM 400 CA PRO A 28 78.088 -4.985 -17.656 1.00 1.00 C ATOM 401 C PRO A 28 79.371 -4.166 -17.837 1.00 1.00 C ATOM 402 O PRO A 28 79.895 -4.051 -18.927 1.00 1.00 O ATOM 403 CB PRO A 28 78.345 -6.461 -17.975 1.00 1.00 C ATOM 404 CG PRO A 28 77.070 -6.957 -18.575 1.00 1.00 C ATOM 405 CD PRO A 28 76.417 -5.762 -19.278 1.00 1.00 C ATOM 0 HA PRO A 28 77.778 -4.811 -16.626 1.00 1.00 H new ATOM 0 HB2 PRO A 28 79.178 -6.575 -18.669 1.00 1.00 H new ATOM 0 HB3 PRO A 28 78.601 -7.020 -17.075 1.00 1.00 H new ATOM 0 HG2 PRO A 28 77.264 -7.763 -19.283 1.00 1.00 H new ATOM 0 HG3 PRO A 28 76.412 -7.360 -17.805 1.00 1.00 H new ATOM 0 HD2 PRO A 28 76.613 -5.773 -20.350 1.00 1.00 H new ATOM 0 HD3 PRO A 28 75.334 -5.768 -19.152 1.00 1.00 H new ATOM 413 N LYS A 29 79.882 -3.600 -16.777 1.00 1.00 N ATOM 414 CA LYS A 29 81.129 -2.791 -16.889 1.00 1.00 C ATOM 415 C LYS A 29 81.599 -2.381 -15.492 1.00 1.00 C ATOM 416 O LYS A 29 82.778 -2.225 -15.243 1.00 1.00 O ATOM 417 CB LYS A 29 80.852 -1.534 -17.721 1.00 1.00 C ATOM 418 CG LYS A 29 82.176 -0.921 -18.181 1.00 1.00 C ATOM 419 CD LYS A 29 82.602 -1.557 -19.505 1.00 1.00 C ATOM 420 CE LYS A 29 84.076 -1.247 -19.771 1.00 1.00 C ATOM 421 NZ LYS A 29 84.371 0.154 -19.358 1.00 1.00 N ATOM 0 H LYS A 29 79.489 -3.663 -15.838 1.00 1.00 H new ATOM 0 HA LYS A 29 81.903 -3.385 -17.374 1.00 1.00 H new ATOM 0 HB2 LYS A 29 80.237 -1.786 -18.585 1.00 1.00 H new ATOM 0 HB3 LYS A 29 80.291 -0.811 -17.130 1.00 1.00 H new ATOM 0 HG2 LYS A 29 82.067 0.157 -18.302 1.00 1.00 H new ATOM 0 HG3 LYS A 29 82.945 -1.081 -17.425 1.00 1.00 H new ATOM 0 HD2 LYS A 29 82.447 -2.635 -19.469 1.00 1.00 H new ATOM 0 HD3 LYS A 29 81.987 -1.174 -20.319 1.00 1.00 H new ATOM 0 HE2 LYS A 29 84.710 -1.941 -19.219 1.00 1.00 H new ATOM 0 HE3 LYS A 29 84.302 -1.381 -20.829 1.00 1.00 H new ATOM 0 HZ1 LYS A 29 85.257 0.468 -19.803 1.00 1.00 H new ATOM 0 HZ2 LYS A 29 83.593 0.776 -19.658 1.00 1.00 H new ATOM 0 HZ3 LYS A 29 84.469 0.198 -18.324 1.00 1.00 H new ATOM 435 N CYS A 30 80.684 -2.202 -14.579 1.00 1.00 N ATOM 436 CA CYS A 30 81.075 -1.798 -13.199 1.00 1.00 C ATOM 437 C CYS A 30 81.927 -2.900 -12.565 1.00 1.00 C ATOM 438 O CYS A 30 81.420 -3.792 -11.914 1.00 1.00 O ATOM 439 CB CYS A 30 79.815 -1.580 -12.358 1.00 1.00 C ATOM 440 SG CYS A 30 78.838 -3.103 -12.329 1.00 1.00 S ATOM 0 H CYS A 30 79.682 -2.318 -14.729 1.00 1.00 H new ATOM 0 HA CYS A 30 81.651 -0.874 -13.240 1.00 1.00 H new ATOM 0 HB2 CYS A 30 80.088 -1.291 -11.343 1.00 1.00 H new ATOM 0 HB3 CYS A 30 79.224 -0.764 -12.774 1.00 1.00 H new ATOM 445 N LYS A 31 83.220 -2.846 -12.750 1.00 1.00 N ATOM 446 CA LYS A 31 84.106 -3.890 -12.157 1.00 1.00 C ATOM 447 C LYS A 31 84.678 -3.382 -10.833 1.00 1.00 C ATOM 448 O LYS A 31 85.119 -4.148 -10.000 1.00 1.00 O ATOM 449 CB LYS A 31 85.251 -4.195 -13.126 1.00 1.00 C ATOM 450 CG LYS A 31 85.765 -2.890 -13.737 1.00 1.00 C ATOM 451 CD LYS A 31 87.039 -3.167 -14.537 1.00 1.00 C ATOM 452 CE LYS A 31 87.336 -1.977 -15.452 1.00 1.00 C ATOM 453 NZ LYS A 31 87.451 -0.737 -14.634 1.00 1.00 N ATOM 0 H LYS A 31 83.701 -2.124 -13.286 1.00 1.00 H new ATOM 0 HA LYS A 31 83.530 -4.798 -11.978 1.00 1.00 H new ATOM 0 HB2 LYS A 31 86.059 -4.706 -12.602 1.00 1.00 H new ATOM 0 HB3 LYS A 31 84.907 -4.866 -13.913 1.00 1.00 H new ATOM 0 HG2 LYS A 31 85.004 -2.455 -14.385 1.00 1.00 H new ATOM 0 HG3 LYS A 31 85.968 -2.163 -12.950 1.00 1.00 H new ATOM 0 HD2 LYS A 31 87.876 -3.337 -13.860 1.00 1.00 H new ATOM 0 HD3 LYS A 31 86.919 -4.074 -15.130 1.00 1.00 H new ATOM 0 HE2 LYS A 31 88.261 -2.150 -16.002 1.00 1.00 H new ATOM 0 HE3 LYS A 31 86.542 -1.866 -16.191 1.00 1.00 H new ATOM 0 HZ1 LYS A 31 87.926 0.003 -15.190 1.00 1.00 H new ATOM 0 HZ2 LYS A 31 86.501 -0.410 -14.363 1.00 1.00 H new ATOM 0 HZ3 LYS A 31 88.006 -0.937 -13.777 1.00 1.00 H new ATOM 467 N GLN A 32 84.668 -2.095 -10.635 1.00 1.00 N ATOM 468 CA GLN A 32 85.206 -1.526 -9.365 1.00 1.00 C ATOM 469 C GLN A 32 86.573 -2.144 -9.059 1.00 1.00 C ATOM 470 O GLN A 32 86.668 -3.224 -8.511 1.00 1.00 O ATOM 471 CB GLN A 32 84.240 -1.837 -8.220 1.00 1.00 C ATOM 472 CG GLN A 32 83.003 -0.945 -8.338 1.00 1.00 C ATOM 473 CD GLN A 32 83.341 0.465 -7.849 1.00 1.00 C ATOM 474 OE1 GLN A 32 82.475 1.313 -7.758 1.00 1.00 O ATOM 475 NE2 GLN A 32 84.572 0.753 -7.529 1.00 1.00 N ATOM 0 H GLN A 32 84.310 -1.408 -11.299 1.00 1.00 H new ATOM 0 HA GLN A 32 85.314 -0.447 -9.471 1.00 1.00 H new ATOM 0 HB2 GLN A 32 83.948 -2.887 -8.251 1.00 1.00 H new ATOM 0 HB3 GLN A 32 84.731 -1.671 -7.261 1.00 1.00 H new ATOM 0 HG2 GLN A 32 82.664 -0.911 -9.373 1.00 1.00 H new ATOM 0 HG3 GLN A 32 82.185 -1.359 -7.748 1.00 1.00 H new ATOM 0 HE21 GLN A 32 85.299 0.041 -7.605 1.00 1.00 H new ATOM 0 HE22 GLN A 32 84.808 1.690 -7.202 1.00 1.00 H new ATOM 484 N ARG A 33 87.634 -1.465 -9.404 1.00 1.00 N ATOM 485 CA ARG A 33 88.991 -2.014 -9.127 1.00 1.00 C ATOM 486 C ARG A 33 89.186 -2.150 -7.615 1.00 1.00 C ATOM 487 O ARG A 33 88.282 -1.908 -6.839 1.00 1.00 O ATOM 488 CB ARG A 33 90.052 -1.066 -9.696 1.00 1.00 C ATOM 489 CG ARG A 33 90.181 -1.289 -11.204 1.00 1.00 C ATOM 490 CD ARG A 33 91.217 -0.321 -11.777 1.00 1.00 C ATOM 491 NE ARG A 33 91.711 -0.838 -13.084 1.00 1.00 N ATOM 492 CZ ARG A 33 92.632 -1.762 -13.114 1.00 1.00 C ATOM 493 NH1 ARG A 33 93.121 -2.232 -12.000 1.00 1.00 N ATOM 494 NH2 ARG A 33 93.065 -2.215 -14.259 1.00 1.00 N ATOM 0 H ARG A 33 87.619 -0.555 -9.865 1.00 1.00 H new ATOM 0 HA ARG A 33 89.090 -2.993 -9.596 1.00 1.00 H new ATOM 0 HB2 ARG A 33 89.776 -0.031 -9.493 1.00 1.00 H new ATOM 0 HB3 ARG A 33 91.011 -1.242 -9.208 1.00 1.00 H new ATOM 0 HG2 ARG A 33 90.479 -2.318 -11.406 1.00 1.00 H new ATOM 0 HG3 ARG A 33 89.217 -1.135 -11.689 1.00 1.00 H new ATOM 0 HD2 ARG A 33 90.774 0.666 -11.908 1.00 1.00 H new ATOM 0 HD3 ARG A 33 92.048 -0.208 -11.081 1.00 1.00 H new ATOM 0 HE ARG A 33 91.329 -0.470 -13.955 1.00 1.00 H new ATOM 0 HH11 ARG A 33 92.784 -1.877 -11.105 1.00 1.00 H new ATOM 0 HH12 ARG A 33 93.841 -2.954 -12.024 1.00 1.00 H new ATOM 0 HH21 ARG A 33 92.683 -1.847 -15.130 1.00 1.00 H new ATOM 0 HH22 ARG A 33 93.785 -2.937 -14.282 1.00 1.00 H new ATOM 508 N GLN A 34 90.358 -2.535 -7.189 1.00 1.00 N ATOM 509 CA GLN A 34 90.608 -2.687 -5.728 1.00 1.00 C ATOM 510 C GLN A 34 90.135 -1.430 -4.995 1.00 1.00 C ATOM 511 O GLN A 34 88.974 -1.294 -4.663 1.00 1.00 O ATOM 512 CB GLN A 34 92.106 -2.885 -5.484 1.00 1.00 C ATOM 513 CG GLN A 34 92.555 -4.207 -6.110 1.00 1.00 C ATOM 514 CD GLN A 34 94.083 -4.289 -6.089 1.00 1.00 C ATOM 515 OE1 GLN A 34 94.689 -4.787 -7.017 1.00 1.00 O ATOM 516 NE2 GLN A 34 94.735 -3.819 -5.061 1.00 1.00 N ATOM 0 H GLN A 34 91.153 -2.751 -7.790 1.00 1.00 H new ATOM 0 HA GLN A 34 90.061 -3.553 -5.355 1.00 1.00 H new ATOM 0 HB2 GLN A 34 92.668 -2.057 -5.915 1.00 1.00 H new ATOM 0 HB3 GLN A 34 92.314 -2.888 -4.414 1.00 1.00 H new ATOM 0 HG2 GLN A 34 92.128 -5.046 -5.560 1.00 1.00 H new ATOM 0 HG3 GLN A 34 92.190 -4.279 -7.135 1.00 1.00 H new ATOM 0 HE21 GLN A 34 94.226 -3.401 -4.282 1.00 1.00 H new ATOM 0 HE22 GLN A 34 95.753 -3.870 -5.036 1.00 1.00 H new ATOM 525 N THR A 35 91.024 -0.508 -4.740 1.00 1.00 N ATOM 526 CA THR A 35 90.628 0.740 -4.028 1.00 1.00 C ATOM 527 C THR A 35 91.464 1.907 -4.554 1.00 1.00 C ATOM 528 O THR A 35 92.489 2.250 -3.998 1.00 1.00 O ATOM 529 CB THR A 35 90.875 0.570 -2.527 1.00 1.00 C ATOM 530 OG1 THR A 35 92.263 0.706 -2.259 1.00 1.00 O ATOM 531 CG2 THR A 35 90.401 -0.815 -2.083 1.00 1.00 C ATOM 0 H THR A 35 92.010 -0.566 -4.995 1.00 1.00 H new ATOM 0 HA THR A 35 89.571 0.941 -4.200 1.00 1.00 H new ATOM 0 HB THR A 35 90.322 1.333 -1.979 1.00 1.00 H new ATOM 0 HG1 THR A 35 92.560 1.603 -2.518 1.00 1.00 H new ATOM 0 HG21 THR A 35 90.578 -0.935 -1.014 1.00 1.00 H new ATOM 0 HG22 THR A 35 89.336 -0.918 -2.289 1.00 1.00 H new ATOM 0 HG23 THR A 35 90.952 -1.581 -2.630 1.00 1.00 H new ATOM 539 N ARG A 36 91.037 2.518 -5.624 1.00 1.00 N ATOM 540 CA ARG A 36 91.807 3.662 -6.190 1.00 1.00 C ATOM 541 C ARG A 36 92.226 4.605 -5.061 1.00 1.00 C ATOM 542 O ARG A 36 93.320 5.133 -5.055 1.00 1.00 O ATOM 543 CB ARG A 36 90.930 4.420 -7.190 1.00 1.00 C ATOM 544 CG ARG A 36 90.671 3.541 -8.415 1.00 1.00 C ATOM 545 CD ARG A 36 91.785 3.754 -9.442 1.00 1.00 C ATOM 546 NE ARG A 36 91.463 4.940 -10.284 1.00 1.00 N ATOM 547 CZ ARG A 36 90.503 4.873 -11.166 1.00 1.00 C ATOM 548 NH1 ARG A 36 89.826 3.767 -11.310 1.00 1.00 N ATOM 549 NH2 ARG A 36 90.221 5.911 -11.904 1.00 1.00 N ATOM 0 H ARG A 36 90.187 2.274 -6.132 1.00 1.00 H new ATOM 0 HA ARG A 36 92.696 3.287 -6.697 1.00 1.00 H new ATOM 0 HB2 ARG A 36 89.985 4.698 -6.723 1.00 1.00 H new ATOM 0 HB3 ARG A 36 91.421 5.345 -7.491 1.00 1.00 H new ATOM 0 HG2 ARG A 36 90.629 2.492 -8.121 1.00 1.00 H new ATOM 0 HG3 ARG A 36 89.705 3.788 -8.855 1.00 1.00 H new ATOM 0 HD2 ARG A 36 92.738 3.903 -8.935 1.00 1.00 H new ATOM 0 HD3 ARG A 36 91.892 2.868 -10.068 1.00 1.00 H new ATOM 0 HE ARG A 36 91.993 5.804 -10.171 1.00 1.00 H new ATOM 0 HH11 ARG A 36 90.047 2.955 -10.733 1.00 1.00 H new ATOM 0 HH12 ARG A 36 89.076 3.714 -11.999 1.00 1.00 H new ATOM 0 HH21 ARG A 36 90.751 6.775 -11.792 1.00 1.00 H new ATOM 0 HH22 ARG A 36 89.471 5.858 -12.593 1.00 1.00 H new ATOM 563 N GLN A 37 91.363 4.814 -4.106 1.00 1.00 N ATOM 564 CA GLN A 37 91.702 5.722 -2.968 1.00 1.00 C ATOM 565 C GLN A 37 90.445 5.974 -2.127 1.00 1.00 C ATOM 566 O GLN A 37 90.399 6.887 -1.327 1.00 1.00 O ATOM 567 CB GLN A 37 92.232 7.064 -3.508 1.00 1.00 C ATOM 568 CG GLN A 37 93.694 7.242 -3.093 1.00 1.00 C ATOM 569 CD GLN A 37 94.291 8.444 -3.827 1.00 1.00 C ATOM 570 OE1 GLN A 37 95.495 8.579 -3.916 1.00 1.00 O ATOM 571 NE2 GLN A 37 93.494 9.329 -4.360 1.00 1.00 N ATOM 0 H GLN A 37 90.434 4.395 -4.062 1.00 1.00 H new ATOM 0 HA GLN A 37 92.470 5.254 -2.352 1.00 1.00 H new ATOM 0 HB2 GLN A 37 92.146 7.090 -4.594 1.00 1.00 H new ATOM 0 HB3 GLN A 37 91.631 7.887 -3.121 1.00 1.00 H new ATOM 0 HG2 GLN A 37 93.761 7.391 -2.015 1.00 1.00 H new ATOM 0 HG3 GLN A 37 94.262 6.341 -3.327 1.00 1.00 H new ATOM 0 HE21 GLN A 37 92.483 9.216 -4.285 1.00 1.00 H new ATOM 0 HE22 GLN A 37 93.882 10.134 -4.851 1.00 1.00 H new ATOM 580 N CYS A 38 89.423 5.181 -2.304 1.00 1.00 N ATOM 581 CA CYS A 38 88.176 5.393 -1.515 1.00 1.00 C ATOM 582 C CYS A 38 88.341 4.788 -0.119 1.00 1.00 C ATOM 583 O CYS A 38 87.972 5.385 0.872 1.00 1.00 O ATOM 584 CB CYS A 38 86.998 4.725 -2.230 1.00 1.00 C ATOM 585 SG CYS A 38 87.051 2.939 -1.944 1.00 1.00 S ATOM 0 H CYS A 38 89.397 4.399 -2.958 1.00 1.00 H new ATOM 0 HA CYS A 38 87.984 6.462 -1.423 1.00 1.00 H new ATOM 0 HB2 CYS A 38 86.057 5.135 -1.863 1.00 1.00 H new ATOM 0 HB3 CYS A 38 87.042 4.934 -3.299 1.00 1.00 H new ATOM 590 N LYS A 39 88.892 3.608 -0.030 1.00 1.00 N ATOM 591 CA LYS A 39 89.074 2.975 1.308 1.00 1.00 C ATOM 592 C LYS A 39 90.143 3.740 2.091 1.00 1.00 C ATOM 593 O LYS A 39 90.491 4.855 1.757 1.00 1.00 O ATOM 594 CB LYS A 39 89.514 1.517 1.136 1.00 1.00 C ATOM 595 CG LYS A 39 88.368 0.700 0.536 1.00 1.00 C ATOM 596 CD LYS A 39 88.416 -0.727 1.085 1.00 1.00 C ATOM 597 CE LYS A 39 87.558 -1.641 0.207 1.00 1.00 C ATOM 598 NZ LYS A 39 87.447 -2.982 0.846 1.00 1.00 N ATOM 0 H LYS A 39 89.223 3.057 -0.822 1.00 1.00 H new ATOM 0 HA LYS A 39 88.130 3.004 1.852 1.00 1.00 H new ATOM 0 HB2 LYS A 39 90.389 1.465 0.488 1.00 1.00 H new ATOM 0 HB3 LYS A 39 89.806 1.099 2.099 1.00 1.00 H new ATOM 0 HG2 LYS A 39 87.411 1.162 0.779 1.00 1.00 H new ATOM 0 HG3 LYS A 39 88.448 0.686 -0.551 1.00 1.00 H new ATOM 0 HD2 LYS A 39 89.445 -1.086 1.105 1.00 1.00 H new ATOM 0 HD3 LYS A 39 88.052 -0.745 2.112 1.00 1.00 H new ATOM 0 HE2 LYS A 39 86.567 -1.208 0.072 1.00 1.00 H new ATOM 0 HE3 LYS A 39 88.003 -1.734 -0.784 1.00 1.00 H new ATOM 0 HZ1 LYS A 39 86.864 -3.603 0.250 1.00 1.00 H new ATOM 0 HZ2 LYS A 39 88.395 -3.395 0.953 1.00 1.00 H new ATOM 0 HZ3 LYS A 39 87.004 -2.885 1.782 1.00 1.00 H new ATOM 612 N SER A 40 90.663 3.151 3.134 1.00 1.00 N ATOM 613 CA SER A 40 91.706 3.843 3.943 1.00 1.00 C ATOM 614 C SER A 40 91.108 5.103 4.574 1.00 1.00 C ATOM 615 O SER A 40 90.880 5.163 5.765 1.00 1.00 O ATOM 616 CB SER A 40 92.884 4.225 3.043 1.00 1.00 C ATOM 617 OG SER A 40 93.093 3.198 2.084 1.00 1.00 O ATOM 0 H SER A 40 90.410 2.219 3.461 1.00 1.00 H new ATOM 0 HA SER A 40 92.058 3.176 4.730 1.00 1.00 H new ATOM 0 HB2 SER A 40 92.682 5.171 2.541 1.00 1.00 H new ATOM 0 HB3 SER A 40 93.783 4.368 3.642 1.00 1.00 H new ATOM 0 HG SER A 40 93.846 3.440 1.505 1.00 1.00 H new ATOM 623 N LYS A 41 90.852 6.110 3.784 1.00 1.00 N ATOM 624 CA LYS A 41 90.268 7.364 4.339 1.00 1.00 C ATOM 625 C LYS A 41 88.744 7.202 4.461 1.00 1.00 C ATOM 626 O LYS A 41 88.081 6.854 3.505 1.00 1.00 O ATOM 627 CB LYS A 41 90.584 8.531 3.396 1.00 1.00 C ATOM 628 CG LYS A 41 90.011 8.243 2.007 1.00 1.00 C ATOM 629 CD LYS A 41 88.699 9.009 1.827 1.00 1.00 C ATOM 630 CE LYS A 41 89.000 10.433 1.355 1.00 1.00 C ATOM 631 NZ LYS A 41 89.792 10.381 0.093 1.00 1.00 N ATOM 0 H LYS A 41 91.022 6.118 2.778 1.00 1.00 H new ATOM 0 HA LYS A 41 90.694 7.565 5.322 1.00 1.00 H new ATOM 0 HB2 LYS A 41 90.160 9.455 3.790 1.00 1.00 H new ATOM 0 HB3 LYS A 41 91.662 8.677 3.332 1.00 1.00 H new ATOM 0 HG2 LYS A 41 90.725 8.539 1.239 1.00 1.00 H new ATOM 0 HG3 LYS A 41 89.839 7.173 1.888 1.00 1.00 H new ATOM 0 HD2 LYS A 41 88.065 8.500 1.101 1.00 1.00 H new ATOM 0 HD3 LYS A 41 88.149 9.035 2.768 1.00 1.00 H new ATOM 0 HE2 LYS A 41 88.070 10.977 1.191 1.00 1.00 H new ATOM 0 HE3 LYS A 41 89.554 10.973 2.123 1.00 1.00 H new ATOM 0 HZ1 LYS A 41 89.436 11.099 -0.570 1.00 1.00 H new ATOM 0 HZ2 LYS A 41 90.793 10.570 0.303 1.00 1.00 H new ATOM 0 HZ3 LYS A 41 89.700 9.438 -0.336 1.00 1.00 H new ATOM 645 N PRO A 42 88.187 7.450 5.624 1.00 1.00 N ATOM 646 CA PRO A 42 86.717 7.325 5.848 1.00 1.00 C ATOM 647 C PRO A 42 85.939 8.515 5.271 1.00 1.00 C ATOM 648 O PRO A 42 86.495 9.565 5.020 1.00 1.00 O ATOM 649 CB PRO A 42 86.591 7.290 7.373 1.00 1.00 C ATOM 650 CG PRO A 42 87.768 8.061 7.874 1.00 1.00 C ATOM 651 CD PRO A 42 88.890 7.874 6.846 1.00 1.00 C ATOM 0 HA PRO A 42 86.301 6.447 5.354 1.00 1.00 H new ATOM 0 HB2 PRO A 42 85.655 7.740 7.702 1.00 1.00 H new ATOM 0 HB3 PRO A 42 86.601 6.266 7.747 1.00 1.00 H new ATOM 0 HG2 PRO A 42 87.519 9.116 7.987 1.00 1.00 H new ATOM 0 HG3 PRO A 42 88.078 7.700 8.855 1.00 1.00 H new ATOM 0 HD2 PRO A 42 89.444 8.799 6.687 1.00 1.00 H new ATOM 0 HD3 PRO A 42 89.610 7.124 7.173 1.00 1.00 H new ATOM 659 N PRO A 43 84.657 8.349 5.069 1.00 1.00 N ATOM 660 CA PRO A 43 83.781 9.426 4.518 1.00 1.00 C ATOM 661 C PRO A 43 83.622 10.593 5.498 1.00 1.00 C ATOM 662 O PRO A 43 83.925 10.477 6.669 1.00 1.00 O ATOM 663 CB PRO A 43 82.436 8.726 4.287 1.00 1.00 C ATOM 664 CG PRO A 43 82.442 7.545 5.200 1.00 1.00 C ATOM 665 CD PRO A 43 83.902 7.117 5.348 1.00 1.00 C ATOM 0 HA PRO A 43 84.198 9.865 3.612 1.00 1.00 H new ATOM 0 HB2 PRO A 43 81.603 9.392 4.512 1.00 1.00 H new ATOM 0 HB3 PRO A 43 82.327 8.418 3.247 1.00 1.00 H new ATOM 0 HG2 PRO A 43 82.013 7.802 6.169 1.00 1.00 H new ATOM 0 HG3 PRO A 43 81.840 6.734 4.789 1.00 1.00 H new ATOM 0 HD2 PRO A 43 84.109 6.739 6.349 1.00 1.00 H new ATOM 0 HD3 PRO A 43 84.159 6.322 4.648 1.00 1.00 H new ATOM 673 N LYS A 44 83.150 11.716 5.029 1.00 1.00 N ATOM 674 CA LYS A 44 82.975 12.887 5.936 1.00 1.00 C ATOM 675 C LYS A 44 81.883 13.804 5.381 1.00 1.00 C ATOM 676 O LYS A 44 80.769 13.822 5.866 1.00 1.00 O ATOM 677 CB LYS A 44 84.293 13.659 6.026 1.00 1.00 C ATOM 678 CG LYS A 44 84.113 14.871 6.943 1.00 1.00 C ATOM 679 CD LYS A 44 85.470 15.536 7.182 1.00 1.00 C ATOM 680 CE LYS A 44 85.289 16.753 8.091 1.00 1.00 C ATOM 681 NZ LYS A 44 84.630 16.332 9.359 1.00 1.00 N ATOM 0 H LYS A 44 82.878 11.874 4.059 1.00 1.00 H new ATOM 0 HA LYS A 44 82.687 12.540 6.928 1.00 1.00 H new ATOM 0 HB2 LYS A 44 85.080 13.011 6.412 1.00 1.00 H new ATOM 0 HB3 LYS A 44 84.605 13.984 5.033 1.00 1.00 H new ATOM 0 HG2 LYS A 44 83.422 15.583 6.491 1.00 1.00 H new ATOM 0 HG3 LYS A 44 83.676 14.561 7.892 1.00 1.00 H new ATOM 0 HD2 LYS A 44 86.159 14.826 7.640 1.00 1.00 H new ATOM 0 HD3 LYS A 44 85.910 15.840 6.232 1.00 1.00 H new ATOM 0 HE2 LYS A 44 86.256 17.208 8.305 1.00 1.00 H new ATOM 0 HE3 LYS A 44 84.686 17.509 7.589 1.00 1.00 H new ATOM 0 HZ1 LYS A 44 84.777 17.062 10.085 1.00 1.00 H new ATOM 0 HZ2 LYS A 44 83.611 16.206 9.195 1.00 1.00 H new ATOM 0 HZ3 LYS A 44 85.042 15.434 9.683 1.00 1.00 H new ATOM 695 N LYS A 45 82.194 14.567 4.369 1.00 1.00 N ATOM 696 CA LYS A 45 81.175 15.484 3.785 1.00 1.00 C ATOM 697 C LYS A 45 80.589 16.364 4.894 1.00 1.00 C ATOM 698 O LYS A 45 81.303 16.869 5.737 1.00 1.00 O ATOM 699 CB LYS A 45 80.061 14.659 3.127 1.00 1.00 C ATOM 700 CG LYS A 45 79.444 15.459 1.978 1.00 1.00 C ATOM 701 CD LYS A 45 78.357 14.623 1.300 1.00 1.00 C ATOM 702 CE LYS A 45 77.190 14.420 2.268 1.00 1.00 C ATOM 703 NZ LYS A 45 75.942 14.165 1.495 1.00 1.00 N ATOM 0 H LYS A 45 83.110 14.595 3.921 1.00 1.00 H new ATOM 0 HA LYS A 45 81.641 16.119 3.031 1.00 1.00 H new ATOM 0 HB2 LYS A 45 80.463 13.717 2.754 1.00 1.00 H new ATOM 0 HB3 LYS A 45 79.296 14.409 3.862 1.00 1.00 H new ATOM 0 HG2 LYS A 45 79.020 16.389 2.355 1.00 1.00 H new ATOM 0 HG3 LYS A 45 80.213 15.730 1.255 1.00 1.00 H new ATOM 0 HD2 LYS A 45 78.010 15.123 0.396 1.00 1.00 H new ATOM 0 HD3 LYS A 45 78.763 13.658 0.995 1.00 1.00 H new ATOM 0 HE2 LYS A 45 77.397 13.581 2.933 1.00 1.00 H new ATOM 0 HE3 LYS A 45 77.067 15.302 2.897 1.00 1.00 H new ATOM 0 HZ1 LYS A 45 75.234 14.890 1.729 1.00 1.00 H new ATOM 0 HZ2 LYS A 45 76.151 14.201 0.477 1.00 1.00 H new ATOM 0 HZ3 LYS A 45 75.568 13.226 1.739 1.00 1.00 H new ATOM 717 N GLY A 46 79.296 16.553 4.906 1.00 1.00 N ATOM 718 CA GLY A 46 78.684 17.401 5.969 1.00 1.00 C ATOM 719 C GLY A 46 77.226 17.714 5.622 1.00 1.00 C ATOM 720 O GLY A 46 76.332 17.504 6.418 1.00 1.00 O ATOM 0 H GLY A 46 78.641 16.159 4.230 1.00 1.00 H new ATOM 0 HA2 GLY A 46 78.735 16.887 6.929 1.00 1.00 H new ATOM 0 HA3 GLY A 46 79.247 18.328 6.074 1.00 1.00 H new ATOM 724 N VAL A 47 76.975 18.225 4.446 1.00 1.00 N ATOM 725 CA VAL A 47 75.571 18.558 4.064 1.00 1.00 C ATOM 726 C VAL A 47 74.648 17.384 4.402 1.00 1.00 C ATOM 727 O VAL A 47 73.440 17.514 4.402 1.00 1.00 O ATOM 728 CB VAL A 47 75.499 18.851 2.563 1.00 1.00 C ATOM 729 CG1 VAL A 47 76.360 20.073 2.239 1.00 1.00 C ATOM 730 CG2 VAL A 47 76.018 17.641 1.783 1.00 1.00 C ATOM 0 H VAL A 47 77.679 18.426 3.735 1.00 1.00 H new ATOM 0 HA VAL A 47 75.250 19.439 4.620 1.00 1.00 H new ATOM 0 HB VAL A 47 74.465 19.050 2.281 1.00 1.00 H new ATOM 0 HG11 VAL A 47 76.309 20.281 1.170 1.00 1.00 H new ATOM 0 HG12 VAL A 47 75.992 20.935 2.795 1.00 1.00 H new ATOM 0 HG13 VAL A 47 77.394 19.874 2.521 1.00 1.00 H new ATOM 0 HG21 VAL A 47 75.967 17.848 0.714 1.00 1.00 H new ATOM 0 HG22 VAL A 47 77.052 17.442 2.065 1.00 1.00 H new ATOM 0 HG23 VAL A 47 75.405 16.770 2.013 1.00 1.00 H new ATOM 740 N GLN A 48 75.204 16.240 4.692 1.00 1.00 N ATOM 741 CA GLN A 48 74.351 15.065 5.030 1.00 1.00 C ATOM 742 C GLN A 48 75.226 13.949 5.607 1.00 1.00 C ATOM 743 O GLN A 48 74.803 13.194 6.460 1.00 1.00 O ATOM 744 CB GLN A 48 73.645 14.567 3.763 1.00 1.00 C ATOM 745 CG GLN A 48 72.358 13.835 4.148 1.00 1.00 C ATOM 746 CD GLN A 48 72.700 12.625 5.020 1.00 1.00 C ATOM 747 OE1 GLN A 48 73.490 11.787 4.633 1.00 1.00 O ATOM 748 NE2 GLN A 48 72.133 12.497 6.188 1.00 1.00 N ATOM 0 H GLN A 48 76.209 16.068 4.710 1.00 1.00 H new ATOM 0 HA GLN A 48 73.604 15.355 5.769 1.00 1.00 H new ATOM 0 HB2 GLN A 48 73.415 15.407 3.108 1.00 1.00 H new ATOM 0 HB3 GLN A 48 74.303 13.899 3.206 1.00 1.00 H new ATOM 0 HG2 GLN A 48 71.692 14.508 4.687 1.00 1.00 H new ATOM 0 HG3 GLN A 48 71.828 13.512 3.252 1.00 1.00 H new ATOM 0 HE21 GLN A 48 71.470 13.201 6.513 1.00 1.00 H new ATOM 0 HE22 GLN A 48 72.353 11.693 6.776 1.00 1.00 H new ATOM 757 N GLY A 49 76.444 13.841 5.149 1.00 1.00 N ATOM 758 CA GLY A 49 77.349 12.776 5.671 1.00 1.00 C ATOM 759 C GLY A 49 77.268 11.544 4.766 1.00 1.00 C ATOM 760 O GLY A 49 76.435 10.680 4.951 1.00 1.00 O ATOM 0 H GLY A 49 76.852 14.445 4.435 1.00 1.00 H new ATOM 0 HA2 GLY A 49 78.374 13.144 5.711 1.00 1.00 H new ATOM 0 HA3 GLY A 49 77.065 12.511 6.690 1.00 1.00 H new ATOM 764 N CYS A 50 78.130 11.457 3.788 1.00 1.00 N ATOM 765 CA CYS A 50 78.105 10.280 2.873 1.00 1.00 C ATOM 766 C CYS A 50 79.523 9.998 2.369 1.00 1.00 C ATOM 767 O CYS A 50 80.141 9.020 2.742 1.00 1.00 O ATOM 768 CB CYS A 50 77.186 10.581 1.682 1.00 1.00 C ATOM 769 SG CYS A 50 75.684 9.580 1.812 1.00 1.00 S ATOM 0 H CYS A 50 78.850 12.150 3.584 1.00 1.00 H new ATOM 0 HA CYS A 50 77.731 9.408 3.408 1.00 1.00 H new ATOM 0 HB2 CYS A 50 76.930 11.640 1.665 1.00 1.00 H new ATOM 0 HB3 CYS A 50 77.702 10.363 0.747 1.00 1.00 H new ATOM 774 N GLY A 51 80.042 10.845 1.523 1.00 1.00 N ATOM 775 CA GLY A 51 81.418 10.624 0.996 1.00 1.00 C ATOM 776 C GLY A 51 81.976 11.941 0.454 1.00 1.00 C ATOM 777 O GLY A 51 81.375 12.987 0.597 1.00 1.00 O ATOM 0 H GLY A 51 79.573 11.681 1.174 1.00 1.00 H new ATOM 0 HA2 GLY A 51 82.064 10.241 1.786 1.00 1.00 H new ATOM 0 HA3 GLY A 51 81.400 9.872 0.207 1.00 1.00 H new ATOM 781 N ASP A 52 83.123 11.898 -0.167 1.00 1.00 N ATOM 782 CA ASP A 52 83.720 13.148 -0.717 1.00 1.00 C ATOM 783 C ASP A 52 83.014 13.520 -2.023 1.00 1.00 C ATOM 784 O ASP A 52 83.372 14.476 -2.682 1.00 1.00 O ATOM 785 CB ASP A 52 85.209 12.927 -0.989 1.00 1.00 C ATOM 786 CG ASP A 52 85.397 11.629 -1.777 1.00 1.00 C ATOM 787 OD1 ASP A 52 85.281 11.674 -2.991 1.00 1.00 O ATOM 788 OD2 ASP A 52 85.652 10.612 -1.153 1.00 1.00 O ATOM 0 H ASP A 52 83.672 11.052 -0.317 1.00 1.00 H new ATOM 0 HA ASP A 52 83.598 13.955 0.005 1.00 1.00 H new ATOM 0 HB2 ASP A 52 85.616 13.768 -1.551 1.00 1.00 H new ATOM 0 HB3 ASP A 52 85.758 12.877 -0.049 1.00 1.00 H new ATOM 793 N ASP A 53 82.014 12.773 -2.403 1.00 1.00 N ATOM 794 CA ASP A 53 81.288 13.085 -3.667 1.00 1.00 C ATOM 795 C ASP A 53 79.875 12.503 -3.602 1.00 1.00 C ATOM 796 O ASP A 53 79.644 11.475 -2.996 1.00 1.00 O ATOM 797 CB ASP A 53 82.038 12.472 -4.851 1.00 1.00 C ATOM 798 CG ASP A 53 82.023 10.947 -4.731 1.00 1.00 C ATOM 799 OD1 ASP A 53 81.086 10.342 -5.226 1.00 1.00 O ATOM 800 OD2 ASP A 53 82.949 10.410 -4.145 1.00 1.00 O ATOM 0 H ASP A 53 81.668 11.960 -1.893 1.00 1.00 H new ATOM 0 HA ASP A 53 81.230 14.166 -3.794 1.00 1.00 H new ATOM 0 HB2 ASP A 53 81.572 12.778 -5.788 1.00 1.00 H new ATOM 0 HB3 ASP A 53 83.065 12.836 -4.872 1.00 1.00 H new ATOM 805 N ILE A 54 78.927 13.155 -4.223 1.00 1.00 N ATOM 806 CA ILE A 54 77.523 12.647 -4.203 1.00 1.00 C ATOM 807 C ILE A 54 77.181 12.046 -5.574 1.00 1.00 C ATOM 808 O ILE A 54 76.967 12.767 -6.529 1.00 1.00 O ATOM 809 CB ILE A 54 76.572 13.809 -3.914 1.00 1.00 C ATOM 810 CG1 ILE A 54 76.951 14.457 -2.580 1.00 1.00 C ATOM 811 CG2 ILE A 54 75.136 13.287 -3.836 1.00 1.00 C ATOM 812 CD1 ILE A 54 76.140 15.739 -2.386 1.00 1.00 C ATOM 0 H ILE A 54 79.065 14.020 -4.745 1.00 1.00 H new ATOM 0 HA ILE A 54 77.420 11.884 -3.431 1.00 1.00 H new ATOM 0 HB ILE A 54 76.647 14.547 -4.713 1.00 1.00 H new ATOM 0 HG12 ILE A 54 76.759 13.765 -1.760 1.00 1.00 H new ATOM 0 HG13 ILE A 54 78.017 14.683 -2.563 1.00 1.00 H new ATOM 0 HG21 ILE A 54 74.458 14.116 -3.630 1.00 1.00 H new ATOM 0 HG22 ILE A 54 74.865 12.824 -4.785 1.00 1.00 H new ATOM 0 HG23 ILE A 54 75.060 12.549 -3.037 1.00 1.00 H new ATOM 0 HD11 ILE A 54 76.410 16.200 -1.436 1.00 1.00 H new ATOM 0 HD12 ILE A 54 76.354 16.432 -3.200 1.00 1.00 H new ATOM 0 HD13 ILE A 54 75.077 15.500 -2.384 1.00 1.00 H new ATOM 824 N PRO A 55 77.130 10.739 -5.680 1.00 1.00 N ATOM 825 CA PRO A 55 76.809 10.057 -6.964 1.00 1.00 C ATOM 826 C PRO A 55 75.302 10.028 -7.243 1.00 1.00 C ATOM 827 O PRO A 55 74.867 9.690 -8.325 1.00 1.00 O ATOM 828 CB PRO A 55 77.351 8.642 -6.758 1.00 1.00 C ATOM 829 CG PRO A 55 77.262 8.404 -5.285 1.00 1.00 C ATOM 830 CD PRO A 55 77.374 9.771 -4.598 1.00 1.00 C ATOM 0 HA PRO A 55 77.244 10.569 -7.822 1.00 1.00 H new ATOM 0 HB2 PRO A 55 76.764 7.910 -7.312 1.00 1.00 H new ATOM 0 HB3 PRO A 55 78.379 8.558 -7.110 1.00 1.00 H new ATOM 0 HG2 PRO A 55 76.319 7.921 -5.029 1.00 1.00 H new ATOM 0 HG3 PRO A 55 78.060 7.740 -4.953 1.00 1.00 H new ATOM 0 HD2 PRO A 55 76.642 9.876 -3.797 1.00 1.00 H new ATOM 0 HD3 PRO A 55 78.358 9.913 -4.151 1.00 1.00 H new ATOM 838 N GLY A 56 74.503 10.383 -6.273 1.00 1.00 N ATOM 839 CA GLY A 56 73.027 10.379 -6.482 1.00 1.00 C ATOM 840 C GLY A 56 72.591 11.724 -7.064 1.00 1.00 C ATOM 841 O GLY A 56 71.429 11.940 -7.344 1.00 1.00 O ATOM 0 H GLY A 56 74.809 10.676 -5.345 1.00 1.00 H new ATOM 0 HA2 GLY A 56 72.747 9.570 -7.157 1.00 1.00 H new ATOM 0 HA3 GLY A 56 72.516 10.197 -5.537 1.00 1.00 H new ATOM 845 N MET A 57 73.520 12.627 -7.249 1.00 1.00 N ATOM 846 CA MET A 57 73.182 13.970 -7.813 1.00 1.00 C ATOM 847 C MET A 57 71.839 14.454 -7.260 1.00 1.00 C ATOM 848 O MET A 57 71.162 15.259 -7.868 1.00 1.00 O ATOM 849 CB MET A 57 73.119 13.893 -9.346 1.00 1.00 C ATOM 850 CG MET A 57 72.020 12.916 -9.769 1.00 1.00 C ATOM 851 SD MET A 57 71.721 13.079 -11.547 1.00 1.00 S ATOM 852 CE MET A 57 70.850 11.509 -11.775 1.00 1.00 C ATOM 0 H MET A 57 74.507 12.490 -7.032 1.00 1.00 H new ATOM 0 HA MET A 57 73.958 14.678 -7.522 1.00 1.00 H new ATOM 0 HB2 MET A 57 72.920 14.881 -9.761 1.00 1.00 H new ATOM 0 HB3 MET A 57 74.081 13.568 -9.743 1.00 1.00 H new ATOM 0 HG2 MET A 57 72.315 11.894 -9.531 1.00 1.00 H new ATOM 0 HG3 MET A 57 71.104 13.120 -9.215 1.00 1.00 H new ATOM 0 HE1 MET A 57 70.566 11.399 -12.822 1.00 1.00 H new ATOM 0 HE2 MET A 57 71.504 10.685 -11.488 1.00 1.00 H new ATOM 0 HE3 MET A 57 69.955 11.496 -11.153 1.00 1.00 H new ATOM 862 N GLU A 58 71.449 13.974 -6.109 1.00 1.00 N ATOM 863 CA GLU A 58 70.151 14.409 -5.519 1.00 1.00 C ATOM 864 C GLU A 58 70.008 13.825 -4.111 1.00 1.00 C ATOM 865 O GLU A 58 70.313 14.469 -3.127 1.00 1.00 O ATOM 866 CB GLU A 58 68.997 13.913 -6.396 1.00 1.00 C ATOM 867 CG GLU A 58 67.670 14.424 -5.832 1.00 1.00 C ATOM 868 CD GLU A 58 66.575 14.279 -6.891 1.00 1.00 C ATOM 869 OE1 GLU A 58 66.211 13.153 -7.188 1.00 1.00 O ATOM 870 OE2 GLU A 58 66.119 15.297 -7.386 1.00 1.00 O ATOM 0 H GLU A 58 71.974 13.299 -5.552 1.00 1.00 H new ATOM 0 HA GLU A 58 70.125 15.497 -5.466 1.00 1.00 H new ATOM 0 HB2 GLU A 58 69.128 14.263 -7.420 1.00 1.00 H new ATOM 0 HB3 GLU A 58 68.994 12.824 -6.430 1.00 1.00 H new ATOM 0 HG2 GLU A 58 67.402 13.862 -4.938 1.00 1.00 H new ATOM 0 HG3 GLU A 58 67.767 15.468 -5.535 1.00 1.00 H new ATOM 877 N GLY A 59 69.545 12.609 -4.008 1.00 1.00 N ATOM 878 CA GLY A 59 69.380 11.981 -2.667 1.00 1.00 C ATOM 879 C GLY A 59 68.943 10.526 -2.842 1.00 1.00 C ATOM 880 O GLY A 59 68.011 10.232 -3.564 1.00 1.00 O ATOM 0 H GLY A 59 69.273 12.022 -4.797 1.00 1.00 H new ATOM 0 HA2 GLY A 59 70.318 12.027 -2.113 1.00 1.00 H new ATOM 0 HA3 GLY A 59 68.638 12.528 -2.085 1.00 1.00 H new ATOM 884 N CYS A 60 69.610 9.611 -2.193 1.00 1.00 N ATOM 885 CA CYS A 60 69.234 8.175 -2.330 1.00 1.00 C ATOM 886 C CYS A 60 68.269 7.786 -1.208 1.00 1.00 C ATOM 887 O CYS A 60 67.684 6.721 -1.223 1.00 1.00 O ATOM 888 CB CYS A 60 70.492 7.308 -2.249 1.00 1.00 C ATOM 889 SG CYS A 60 71.436 7.471 -3.785 1.00 1.00 S ATOM 0 H CYS A 60 70.399 9.796 -1.574 1.00 1.00 H new ATOM 0 HA CYS A 60 68.747 8.019 -3.293 1.00 1.00 H new ATOM 0 HB2 CYS A 60 71.103 7.613 -1.400 1.00 1.00 H new ATOM 0 HB3 CYS A 60 70.218 6.265 -2.086 1.00 1.00 H new ATOM 894 N GLY A 61 68.090 8.640 -0.234 1.00 1.00 N ATOM 895 CA GLY A 61 67.154 8.311 0.882 1.00 1.00 C ATOM 896 C GLY A 61 67.669 8.910 2.193 1.00 1.00 C ATOM 897 O GLY A 61 67.611 8.283 3.231 1.00 1.00 O ATOM 0 H GLY A 61 68.550 9.548 -0.163 1.00 1.00 H new ATOM 0 HA2 GLY A 61 66.160 8.700 0.661 1.00 1.00 H new ATOM 0 HA3 GLY A 61 67.058 7.230 0.980 1.00 1.00 H new ATOM 901 N THR A 62 68.166 10.122 2.152 1.00 1.00 N ATOM 902 CA THR A 62 68.685 10.780 3.394 1.00 1.00 C ATOM 903 C THR A 62 69.212 9.726 4.375 1.00 1.00 C ATOM 904 O THR A 62 70.296 9.204 4.215 1.00 1.00 O ATOM 905 CB THR A 62 67.561 11.584 4.057 1.00 1.00 C ATOM 906 OG1 THR A 62 67.839 11.729 5.442 1.00 1.00 O ATOM 907 CG2 THR A 62 66.231 10.851 3.875 1.00 1.00 C ATOM 0 H THR A 62 68.235 10.688 1.306 1.00 1.00 H new ATOM 0 HA THR A 62 69.502 11.449 3.124 1.00 1.00 H new ATOM 0 HB THR A 62 67.496 12.569 3.594 1.00 1.00 H new ATOM 0 HG1 THR A 62 67.054 11.460 5.963 1.00 1.00 H new ATOM 0 HG21 THR A 62 65.432 11.424 4.347 1.00 1.00 H new ATOM 0 HG22 THR A 62 66.019 10.741 2.812 1.00 1.00 H new ATOM 0 HG23 THR A 62 66.292 9.866 4.337 1.00 1.00 H new ATOM 915 N ASP A 63 68.451 9.405 5.387 1.00 1.00 N ATOM 916 CA ASP A 63 68.912 8.382 6.369 1.00 1.00 C ATOM 917 C ASP A 63 68.999 7.022 5.673 1.00 1.00 C ATOM 918 O ASP A 63 70.009 6.349 5.726 1.00 1.00 O ATOM 919 CB ASP A 63 67.916 8.300 7.528 1.00 1.00 C ATOM 920 CG ASP A 63 67.715 9.692 8.130 1.00 1.00 C ATOM 921 OD1 ASP A 63 67.157 10.536 7.447 1.00 1.00 O ATOM 922 OD2 ASP A 63 68.123 9.891 9.262 1.00 1.00 O ATOM 0 H ASP A 63 67.532 9.806 5.576 1.00 1.00 H new ATOM 0 HA ASP A 63 69.892 8.660 6.756 1.00 1.00 H new ATOM 0 HB2 ASP A 63 66.964 7.904 7.175 1.00 1.00 H new ATOM 0 HB3 ASP A 63 68.284 7.613 8.290 1.00 1.00 H new ATOM 927 N ILE A 64 67.946 6.617 5.016 1.00 1.00 N ATOM 928 CA ILE A 64 67.961 5.306 4.307 1.00 1.00 C ATOM 929 C ILE A 64 69.262 5.180 3.510 1.00 1.00 C ATOM 930 O ILE A 64 69.853 4.121 3.430 1.00 1.00 O ATOM 931 CB ILE A 64 66.751 5.239 3.362 1.00 1.00 C ATOM 932 CG1 ILE A 64 65.553 4.652 4.111 1.00 1.00 C ATOM 933 CG2 ILE A 64 67.087 4.349 2.164 1.00 1.00 C ATOM 934 CD1 ILE A 64 65.268 5.492 5.358 1.00 1.00 C ATOM 0 H ILE A 64 67.073 7.140 4.940 1.00 1.00 H new ATOM 0 HA ILE A 64 67.904 4.487 5.024 1.00 1.00 H new ATOM 0 HB ILE A 64 66.507 6.242 3.012 1.00 1.00 H new ATOM 0 HG12 ILE A 64 64.677 4.637 3.462 1.00 1.00 H new ATOM 0 HG13 ILE A 64 65.758 3.620 4.394 1.00 1.00 H new ATOM 0 HG21 ILE A 64 66.229 4.302 1.494 1.00 1.00 H new ATOM 0 HG22 ILE A 64 67.942 4.765 1.630 1.00 1.00 H new ATOM 0 HG23 ILE A 64 67.331 3.346 2.513 1.00 1.00 H new ATOM 0 HD11 ILE A 64 64.414 5.074 5.891 1.00 1.00 H new ATOM 0 HD12 ILE A 64 66.142 5.485 6.009 1.00 1.00 H new ATOM 0 HD13 ILE A 64 65.044 6.517 5.063 1.00 1.00 H new ATOM 946 N THR A 65 69.712 6.253 2.922 1.00 1.00 N ATOM 947 CA THR A 65 70.973 6.197 2.133 1.00 1.00 C ATOM 948 C THR A 65 72.119 5.746 3.039 1.00 1.00 C ATOM 949 O THR A 65 72.990 5.002 2.633 1.00 1.00 O ATOM 950 CB THR A 65 71.285 7.587 1.575 1.00 1.00 C ATOM 951 OG1 THR A 65 70.226 8.002 0.724 1.00 1.00 O ATOM 952 CG2 THR A 65 72.592 7.539 0.782 1.00 1.00 C ATOM 0 H THR A 65 69.260 7.167 2.954 1.00 1.00 H new ATOM 0 HA THR A 65 70.858 5.491 1.311 1.00 1.00 H new ATOM 0 HB THR A 65 71.389 8.295 2.398 1.00 1.00 H new ATOM 0 HG1 THR A 65 70.491 8.814 0.244 1.00 1.00 H new ATOM 0 HG21 THR A 65 72.813 8.530 0.385 1.00 1.00 H new ATOM 0 HG22 THR A 65 73.403 7.221 1.437 1.00 1.00 H new ATOM 0 HG23 THR A 65 72.492 6.832 -0.042 1.00 1.00 H new ATOM 960 N VAL A 66 72.128 6.192 4.266 1.00 1.00 N ATOM 961 CA VAL A 66 73.219 5.791 5.198 1.00 1.00 C ATOM 962 C VAL A 66 72.884 4.439 5.830 1.00 1.00 C ATOM 963 O VAL A 66 73.666 3.511 5.778 1.00 1.00 O ATOM 964 CB VAL A 66 73.364 6.846 6.298 1.00 1.00 C ATOM 965 CG1 VAL A 66 74.716 6.676 6.994 1.00 1.00 C ATOM 966 CG2 VAL A 66 73.283 8.242 5.677 1.00 1.00 C ATOM 0 H VAL A 66 71.426 6.817 4.663 1.00 1.00 H new ATOM 0 HA VAL A 66 74.155 5.710 4.645 1.00 1.00 H new ATOM 0 HB VAL A 66 72.563 6.724 7.027 1.00 1.00 H new ATOM 0 HG11 VAL A 66 74.819 7.427 7.777 1.00 1.00 H new ATOM 0 HG12 VAL A 66 74.775 5.681 7.435 1.00 1.00 H new ATOM 0 HG13 VAL A 66 75.518 6.798 6.266 1.00 1.00 H new ATOM 0 HG21 VAL A 66 73.386 8.995 6.459 1.00 1.00 H new ATOM 0 HG22 VAL A 66 74.085 8.363 4.949 1.00 1.00 H new ATOM 0 HG23 VAL A 66 72.320 8.364 5.181 1.00 1.00 H new ATOM 976 N ILE A 67 71.726 4.320 6.425 1.00 1.00 N ATOM 977 CA ILE A 67 71.336 3.026 7.065 1.00 1.00 C ATOM 978 C ILE A 67 69.897 2.685 6.678 1.00 1.00 C ATOM 979 O ILE A 67 68.957 3.274 7.174 1.00 1.00 O ATOM 980 CB ILE A 67 71.429 3.160 8.590 1.00 1.00 C ATOM 981 CG1 ILE A 67 72.879 3.447 8.988 1.00 1.00 C ATOM 982 CG2 ILE A 67 70.970 1.857 9.247 1.00 1.00 C ATOM 983 CD1 ILE A 67 73.758 2.254 8.609 1.00 1.00 C ATOM 0 H ILE A 67 71.031 5.064 6.496 1.00 1.00 H new ATOM 0 HA ILE A 67 72.007 2.236 6.726 1.00 1.00 H new ATOM 0 HB ILE A 67 70.790 3.979 8.922 1.00 1.00 H new ATOM 0 HG12 ILE A 67 73.234 4.347 8.486 1.00 1.00 H new ATOM 0 HG13 ILE A 67 72.943 3.633 10.060 1.00 1.00 H new ATOM 0 HG21 ILE A 67 71.036 1.953 10.331 1.00 1.00 H new ATOM 0 HG22 ILE A 67 69.938 1.650 8.964 1.00 1.00 H new ATOM 0 HG23 ILE A 67 71.608 1.038 8.916 1.00 1.00 H new ATOM 0 HD11 ILE A 67 74.791 2.458 8.892 1.00 1.00 H new ATOM 0 HD12 ILE A 67 73.408 1.364 9.131 1.00 1.00 H new ATOM 0 HD13 ILE A 67 73.703 2.089 7.533 1.00 1.00 H new ATOM 995 N CYS A 68 69.715 1.735 5.799 1.00 1.00 N ATOM 996 CA CYS A 68 68.334 1.354 5.385 1.00 1.00 C ATOM 997 C CYS A 68 67.951 0.030 6.053 1.00 1.00 C ATOM 998 O CYS A 68 68.770 -0.854 6.201 1.00 1.00 O ATOM 999 CB CYS A 68 68.286 1.202 3.862 1.00 1.00 C ATOM 1000 SG CYS A 68 68.846 -0.456 3.399 1.00 1.00 S ATOM 0 H CYS A 68 70.463 1.207 5.350 1.00 1.00 H new ATOM 0 HA CYS A 68 67.630 2.127 5.692 1.00 1.00 H new ATOM 0 HB2 CYS A 68 67.271 1.368 3.502 1.00 1.00 H new ATOM 0 HB3 CYS A 68 68.918 1.955 3.391 1.00 1.00 H new ATOM 1005 N PRO A 69 66.714 -0.112 6.462 1.00 1.00 N ATOM 1006 CA PRO A 69 66.231 -1.349 7.130 1.00 1.00 C ATOM 1007 C PRO A 69 66.878 -2.612 6.553 1.00 1.00 C ATOM 1008 O PRO A 69 67.386 -3.446 7.277 1.00 1.00 O ATOM 1009 CB PRO A 69 64.730 -1.327 6.848 1.00 1.00 C ATOM 1010 CG PRO A 69 64.374 0.123 6.766 1.00 1.00 C ATOM 1011 CD PRO A 69 65.636 0.880 6.330 1.00 1.00 C ATOM 0 HA PRO A 69 66.478 -1.372 8.191 1.00 1.00 H new ATOM 0 HB2 PRO A 69 64.495 -1.844 5.918 1.00 1.00 H new ATOM 0 HB3 PRO A 69 64.172 -1.826 7.640 1.00 1.00 H new ATOM 0 HG2 PRO A 69 63.566 0.280 6.052 1.00 1.00 H new ATOM 0 HG3 PRO A 69 64.022 0.487 7.731 1.00 1.00 H new ATOM 0 HD2 PRO A 69 65.550 1.241 5.305 1.00 1.00 H new ATOM 0 HD3 PRO A 69 65.816 1.751 6.961 1.00 1.00 H new ATOM 1019 N TRP A 70 66.867 -2.759 5.257 1.00 1.00 N ATOM 1020 CA TRP A 70 67.485 -3.967 4.642 1.00 1.00 C ATOM 1021 C TRP A 70 69.004 -3.780 4.562 1.00 1.00 C ATOM 1022 O TRP A 70 69.614 -4.020 3.539 1.00 1.00 O ATOM 1023 CB TRP A 70 66.908 -4.186 3.237 1.00 1.00 C ATOM 1024 CG TRP A 70 66.637 -2.863 2.596 1.00 1.00 C ATOM 1025 CD1 TRP A 70 65.611 -2.041 2.916 1.00 1.00 C ATOM 1026 CD2 TRP A 70 67.381 -2.196 1.535 1.00 1.00 C ATOM 1027 NE1 TRP A 70 65.677 -0.912 2.120 1.00 1.00 N ATOM 1028 CE2 TRP A 70 66.750 -0.960 1.252 1.00 1.00 C ATOM 1029 CE3 TRP A 70 68.528 -2.538 0.798 1.00 1.00 C ATOM 1030 CZ2 TRP A 70 67.243 -0.095 0.271 1.00 1.00 C ATOM 1031 CZ3 TRP A 70 69.025 -1.673 -0.187 1.00 1.00 C ATOM 1032 CH2 TRP A 70 68.385 -0.454 -0.451 1.00 1.00 C ATOM 0 HA TRP A 70 67.264 -4.840 5.255 1.00 1.00 H new ATOM 0 HB2 TRP A 70 67.609 -4.759 2.630 1.00 1.00 H new ATOM 0 HB3 TRP A 70 65.988 -4.768 3.297 1.00 1.00 H new ATOM 0 HD1 TRP A 70 64.863 -2.235 3.670 1.00 1.00 H new ATOM 0 HE1 TRP A 70 65.014 -0.138 2.168 1.00 1.00 H new ATOM 0 HE3 TRP A 70 69.030 -3.474 0.992 1.00 1.00 H new ATOM 0 HZ2 TRP A 70 66.746 0.843 0.072 1.00 1.00 H new ATOM 0 HZ3 TRP A 70 69.907 -1.948 -0.746 1.00 1.00 H new ATOM 0 HH2 TRP A 70 68.774 0.207 -1.211 1.00 1.00 H new ATOM 1043 N GLU A 71 69.620 -3.355 5.636 1.00 1.00 N ATOM 1044 CA GLU A 71 71.100 -3.157 5.628 1.00 1.00 C ATOM 1045 C GLU A 71 71.702 -3.806 6.877 1.00 1.00 C ATOM 1046 O GLU A 71 72.893 -4.030 6.961 1.00 1.00 O ATOM 1047 CB GLU A 71 71.416 -1.656 5.614 1.00 1.00 C ATOM 1048 CG GLU A 71 71.256 -1.082 7.023 1.00 1.00 C ATOM 1049 CD GLU A 71 72.562 -1.261 7.799 1.00 1.00 C ATOM 1050 OE1 GLU A 71 73.571 -0.743 7.350 1.00 1.00 O ATOM 1051 OE2 GLU A 71 72.531 -1.913 8.830 1.00 1.00 O ATOM 0 HA GLU A 71 71.529 -3.619 4.739 1.00 1.00 H new ATOM 0 HB2 GLU A 71 72.433 -1.492 5.257 1.00 1.00 H new ATOM 0 HB3 GLU A 71 70.749 -1.141 4.923 1.00 1.00 H new ATOM 0 HG2 GLU A 71 70.995 -0.025 6.969 1.00 1.00 H new ATOM 0 HG3 GLU A 71 70.440 -1.586 7.542 1.00 1.00 H new ATOM 1058 N ALA A 72 70.884 -4.109 7.847 1.00 1.00 N ATOM 1059 CA ALA A 72 71.403 -4.741 9.090 1.00 1.00 C ATOM 1060 C ALA A 72 71.681 -6.224 8.837 1.00 1.00 C ATOM 1061 O ALA A 72 72.104 -6.944 9.720 1.00 1.00 O ATOM 1062 CB ALA A 72 70.362 -4.602 10.202 1.00 1.00 C ATOM 0 HA ALA A 72 72.327 -4.246 9.389 1.00 1.00 H new ATOM 0 HB1 ALA A 72 70.740 -5.064 11.114 1.00 1.00 H new ATOM 0 HB2 ALA A 72 70.164 -3.546 10.386 1.00 1.00 H new ATOM 0 HB3 ALA A 72 69.439 -5.097 9.900 1.00 1.00 H new ATOM 1068 N CYS A 73 71.446 -6.691 7.640 1.00 1.00 N ATOM 1069 CA CYS A 73 71.700 -8.129 7.345 1.00 1.00 C ATOM 1070 C CYS A 73 73.180 -8.441 7.581 1.00 1.00 C ATOM 1071 O CYS A 73 73.526 -9.407 8.232 1.00 1.00 O ATOM 1072 CB CYS A 73 71.338 -8.433 5.885 1.00 1.00 C ATOM 1073 SG CYS A 73 70.364 -7.067 5.206 1.00 1.00 S ATOM 0 HA CYS A 73 71.086 -8.746 8.001 1.00 1.00 H new ATOM 0 HB2 CYS A 73 72.245 -8.575 5.297 1.00 1.00 H new ATOM 0 HB3 CYS A 73 70.771 -9.362 5.826 1.00 1.00 H new ATOM 1078 N ASN A 74 74.056 -7.628 7.054 1.00 1.00 N ATOM 1079 CA ASN A 74 75.515 -7.871 7.242 1.00 1.00 C ATOM 1080 C ASN A 74 75.820 -9.353 7.016 1.00 1.00 C ATOM 1081 O ASN A 74 76.240 -10.053 7.916 1.00 1.00 O ATOM 1082 CB ASN A 74 75.918 -7.475 8.664 1.00 1.00 C ATOM 1083 CG ASN A 74 75.521 -6.020 8.921 1.00 1.00 C ATOM 1084 OD1 ASN A 74 75.148 -5.310 8.008 1.00 1.00 O ATOM 1085 ND2 ASN A 74 75.586 -5.543 10.134 1.00 1.00 N ATOM 0 H ASN A 74 73.823 -6.804 6.500 1.00 1.00 H new ATOM 0 HA ASN A 74 76.079 -7.273 6.526 1.00 1.00 H new ATOM 0 HB2 ASN A 74 75.431 -8.129 9.387 1.00 1.00 H new ATOM 0 HB3 ASN A 74 76.993 -7.599 8.796 1.00 1.00 H new ATOM 0 HD21 ASN A 74 75.324 -4.574 10.316 1.00 1.00 H new ATOM 0 HD22 ASN A 74 75.899 -6.139 10.900 1.00 1.00 H new ATOM 1092 N HIS A 75 75.610 -9.839 5.822 1.00 1.00 N ATOM 1093 CA HIS A 75 75.887 -11.277 5.546 1.00 1.00 C ATOM 1094 C HIS A 75 75.684 -11.568 4.056 1.00 1.00 C ATOM 1095 O HIS A 75 74.573 -11.600 3.566 1.00 1.00 O ATOM 1096 CB HIS A 75 74.927 -12.143 6.369 1.00 1.00 C ATOM 1097 CG HIS A 75 75.046 -13.578 5.934 1.00 1.00 C ATOM 1098 ND1 HIS A 75 74.165 -14.151 5.029 1.00 1.00 N ATOM 1099 CD2 HIS A 75 75.938 -14.568 6.269 1.00 1.00 C ATOM 1100 CE1 HIS A 75 74.539 -15.431 4.852 1.00 1.00 C ATOM 1101 NE2 HIS A 75 75.613 -15.734 5.584 1.00 1.00 N ATOM 0 H HIS A 75 75.259 -9.303 5.028 1.00 1.00 H new ATOM 0 HA HIS A 75 76.917 -11.506 5.819 1.00 1.00 H new ATOM 0 HB2 HIS A 75 75.159 -12.053 7.430 1.00 1.00 H new ATOM 0 HB3 HIS A 75 73.902 -11.796 6.236 1.00 1.00 H new ATOM 0 HD2 HIS A 75 76.763 -14.458 6.957 1.00 1.00 H new ATOM 0 HE1 HIS A 75 74.033 -16.127 4.199 1.00 1.00 H new ATOM 0 HE2 HIS A 75 76.094 -16.632 5.631 1.00 1.00 H new ATOM 1110 N CYS A 76 76.751 -11.792 3.334 1.00 1.00 N ATOM 1111 CA CYS A 76 76.628 -12.096 1.882 1.00 1.00 C ATOM 1112 C CYS A 76 77.631 -13.189 1.512 1.00 1.00 C ATOM 1113 O CYS A 76 78.207 -13.834 2.366 1.00 1.00 O ATOM 1114 CB CYS A 76 76.929 -10.836 1.062 1.00 1.00 C ATOM 1115 SG CYS A 76 76.571 -9.366 2.056 1.00 1.00 S ATOM 0 H CYS A 76 77.706 -11.777 3.692 1.00 1.00 H new ATOM 0 HA CYS A 76 75.614 -12.433 1.667 1.00 1.00 H new ATOM 0 HB2 CYS A 76 77.974 -10.832 0.752 1.00 1.00 H new ATOM 0 HB3 CYS A 76 76.327 -10.829 0.153 1.00 1.00 H new ATOM 1120 N GLU A 77 77.852 -13.386 0.248 1.00 1.00 N ATOM 1121 CA GLU A 77 78.830 -14.420 -0.190 1.00 1.00 C ATOM 1122 C GLU A 77 80.246 -13.917 0.100 1.00 1.00 C ATOM 1123 O GLU A 77 80.436 -12.780 0.477 1.00 1.00 O ATOM 1124 CB GLU A 77 78.671 -14.670 -1.691 1.00 1.00 C ATOM 1125 CG GLU A 77 77.335 -15.367 -1.953 1.00 1.00 C ATOM 1126 CD GLU A 77 77.225 -15.719 -3.438 1.00 1.00 C ATOM 1127 OE1 GLU A 77 77.876 -15.061 -4.232 1.00 1.00 O ATOM 1128 OE2 GLU A 77 76.491 -16.640 -3.756 1.00 1.00 O ATOM 0 H GLU A 77 77.396 -12.874 -0.508 1.00 1.00 H new ATOM 0 HA GLU A 77 78.652 -15.351 0.349 1.00 1.00 H new ATOM 0 HB2 GLU A 77 78.714 -13.726 -2.234 1.00 1.00 H new ATOM 0 HB3 GLU A 77 79.493 -15.286 -2.057 1.00 1.00 H new ATOM 0 HG2 GLU A 77 77.259 -16.270 -1.348 1.00 1.00 H new ATOM 0 HG3 GLU A 77 76.510 -14.717 -1.660 1.00 1.00 H new ATOM 1135 N LEU A 78 81.236 -14.754 -0.079 1.00 1.00 N ATOM 1136 CA LEU A 78 82.648 -14.333 0.179 1.00 1.00 C ATOM 1137 C LEU A 78 82.819 -13.928 1.649 1.00 1.00 C ATOM 1138 O LEU A 78 83.631 -14.485 2.357 1.00 1.00 O ATOM 1139 CB LEU A 78 83.020 -13.155 -0.733 1.00 1.00 C ATOM 1140 CG LEU A 78 83.435 -13.683 -2.107 1.00 1.00 C ATOM 1141 CD1 LEU A 78 83.158 -12.618 -3.169 1.00 1.00 C ATOM 1142 CD2 LEU A 78 84.929 -14.014 -2.095 1.00 1.00 C ATOM 0 H LEU A 78 81.127 -15.718 -0.395 1.00 1.00 H new ATOM 0 HA LEU A 78 83.309 -15.173 -0.036 1.00 1.00 H new ATOM 0 HB2 LEU A 78 82.172 -12.477 -0.833 1.00 1.00 H new ATOM 0 HB3 LEU A 78 83.835 -12.582 -0.291 1.00 1.00 H new ATOM 0 HG LEU A 78 82.864 -14.582 -2.338 1.00 1.00 H new ATOM 0 HD11 LEU A 78 83.454 -12.995 -4.148 1.00 1.00 H new ATOM 0 HD12 LEU A 78 82.094 -12.381 -3.178 1.00 1.00 H new ATOM 0 HD13 LEU A 78 83.728 -11.718 -2.939 1.00 1.00 H new ATOM 0 HD21 LEU A 78 85.226 -14.390 -3.074 1.00 1.00 H new ATOM 0 HD22 LEU A 78 85.499 -13.114 -1.864 1.00 1.00 H new ATOM 0 HD23 LEU A 78 85.127 -14.773 -1.339 1.00 1.00 H new ATOM 1154 N HIS A 79 82.067 -12.961 2.105 1.00 1.00 N ATOM 1155 CA HIS A 79 82.173 -12.504 3.526 1.00 1.00 C ATOM 1156 C HIS A 79 83.560 -11.899 3.786 1.00 1.00 C ATOM 1157 O HIS A 79 83.705 -10.990 4.579 1.00 1.00 O ATOM 1158 CB HIS A 79 81.891 -13.678 4.482 1.00 1.00 C ATOM 1159 CG HIS A 79 83.162 -14.436 4.749 1.00 1.00 C ATOM 1160 ND1 HIS A 79 84.265 -13.843 5.345 1.00 1.00 N ATOM 1161 CD2 HIS A 79 83.522 -15.740 4.505 1.00 1.00 C ATOM 1162 CE1 HIS A 79 85.228 -14.778 5.441 1.00 1.00 C ATOM 1163 NE2 HIS A 79 84.826 -15.949 4.945 1.00 1.00 N ATOM 0 H HIS A 79 81.375 -12.461 1.547 1.00 1.00 H new ATOM 0 HA HIS A 79 81.427 -11.730 3.709 1.00 1.00 H new ATOM 0 HB2 HIS A 79 81.476 -13.305 5.418 1.00 1.00 H new ATOM 0 HB3 HIS A 79 81.145 -14.343 4.046 1.00 1.00 H new ATOM 0 HD1 HIS A 79 84.334 -12.874 5.655 1.00 1.00 H new ATOM 0 HD2 HIS A 79 82.892 -16.486 4.044 1.00 1.00 H new ATOM 0 HE1 HIS A 79 86.205 -14.602 5.867 1.00 1.00 H new ATOM 1172 N GLU A 80 84.573 -12.379 3.116 1.00 1.00 N ATOM 1173 CA GLU A 80 85.941 -11.815 3.315 1.00 1.00 C ATOM 1174 C GLU A 80 86.196 -11.542 4.801 1.00 1.00 C ATOM 1175 O GLU A 80 86.096 -12.422 5.630 1.00 1.00 O ATOM 1176 CB GLU A 80 86.064 -10.510 2.527 1.00 1.00 C ATOM 1177 CG GLU A 80 85.529 -10.718 1.109 1.00 1.00 C ATOM 1178 CD GLU A 80 85.875 -9.502 0.248 1.00 1.00 C ATOM 1179 OE1 GLU A 80 86.143 -8.456 0.817 1.00 1.00 O ATOM 1180 OE2 GLU A 80 85.867 -9.636 -0.964 1.00 1.00 O ATOM 0 H GLU A 80 84.513 -13.139 2.438 1.00 1.00 H new ATOM 0 HA GLU A 80 86.679 -12.535 2.961 1.00 1.00 H new ATOM 0 HB2 GLU A 80 85.505 -9.718 3.025 1.00 1.00 H new ATOM 0 HB3 GLU A 80 87.106 -10.191 2.491 1.00 1.00 H new ATOM 0 HG2 GLU A 80 85.962 -11.619 0.675 1.00 1.00 H new ATOM 0 HG3 GLU A 80 84.449 -10.863 1.134 1.00 1.00 H new ATOM 1187 N LEU A 81 86.538 -10.329 5.142 1.00 1.00 N ATOM 1188 CA LEU A 81 86.812 -10.000 6.572 1.00 1.00 C ATOM 1189 C LEU A 81 85.582 -9.330 7.192 1.00 1.00 C ATOM 1190 O LEU A 81 85.614 -8.880 8.320 1.00 1.00 O ATOM 1191 CB LEU A 81 88.006 -9.041 6.652 1.00 1.00 C ATOM 1192 CG LEU A 81 89.308 -9.827 6.492 1.00 1.00 C ATOM 1193 CD1 LEU A 81 89.517 -10.725 7.714 1.00 1.00 C ATOM 1194 CD2 LEU A 81 89.229 -10.693 5.233 1.00 1.00 C ATOM 0 H LEU A 81 86.640 -9.550 4.492 1.00 1.00 H new ATOM 0 HA LEU A 81 87.038 -10.916 7.117 1.00 1.00 H new ATOM 0 HB2 LEU A 81 87.929 -8.283 5.873 1.00 1.00 H new ATOM 0 HB3 LEU A 81 88.001 -8.517 7.608 1.00 1.00 H new ATOM 0 HG LEU A 81 90.143 -9.132 6.405 1.00 1.00 H new ATOM 0 HD11 LEU A 81 90.445 -11.285 7.600 1.00 1.00 H new ATOM 0 HD12 LEU A 81 89.573 -10.110 8.612 1.00 1.00 H new ATOM 0 HD13 LEU A 81 88.682 -11.420 7.802 1.00 1.00 H new ATOM 0 HD21 LEU A 81 90.157 -11.254 5.118 1.00 1.00 H new ATOM 0 HD22 LEU A 81 88.394 -11.388 5.321 1.00 1.00 H new ATOM 0 HD23 LEU A 81 89.080 -10.055 4.362 1.00 1.00 H new ATOM 1206 N ALA A 82 84.502 -9.254 6.466 1.00 1.00 N ATOM 1207 CA ALA A 82 83.279 -8.607 7.021 1.00 1.00 C ATOM 1208 C ALA A 82 82.704 -9.464 8.152 1.00 1.00 C ATOM 1209 O ALA A 82 81.896 -10.343 7.926 1.00 1.00 O ATOM 1210 CB ALA A 82 82.232 -8.458 5.914 1.00 1.00 C ATOM 0 H ALA A 82 84.412 -9.611 5.515 1.00 1.00 H new ATOM 0 HA ALA A 82 83.541 -7.624 7.412 1.00 1.00 H new ATOM 0 HB1 ALA A 82 81.338 -7.985 6.320 1.00 1.00 H new ATOM 0 HB2 ALA A 82 82.636 -7.841 5.111 1.00 1.00 H new ATOM 0 HB3 ALA A 82 81.975 -9.442 5.521 1.00 1.00 H new ATOM 1216 N GLN A 83 83.106 -9.214 9.370 1.00 1.00 N ATOM 1217 CA GLN A 83 82.570 -10.015 10.510 1.00 1.00 C ATOM 1218 C GLN A 83 81.287 -9.359 11.027 1.00 1.00 C ATOM 1219 O GLN A 83 80.194 -9.832 10.784 1.00 1.00 O ATOM 1220 CB GLN A 83 83.609 -10.076 11.638 1.00 1.00 C ATOM 1221 CG GLN A 83 85.016 -10.117 11.038 1.00 1.00 C ATOM 1222 CD GLN A 83 85.564 -8.694 10.922 1.00 1.00 C ATOM 1223 OE1 GLN A 83 84.810 -7.747 10.815 1.00 1.00 O ATOM 1224 NE2 GLN A 83 86.855 -8.501 10.939 1.00 1.00 N ATOM 0 H GLN A 83 83.780 -8.492 9.625 1.00 1.00 H new ATOM 0 HA GLN A 83 82.353 -11.028 10.172 1.00 1.00 H new ATOM 0 HB2 GLN A 83 83.505 -9.208 12.289 1.00 1.00 H new ATOM 0 HB3 GLN A 83 83.440 -10.959 12.255 1.00 1.00 H new ATOM 0 HG2 GLN A 83 85.672 -10.721 11.665 1.00 1.00 H new ATOM 0 HG3 GLN A 83 84.990 -10.589 10.056 1.00 1.00 H new ATOM 0 HE21 GLN A 83 87.488 -9.296 11.029 1.00 1.00 H new ATOM 0 HE22 GLN A 83 87.230 -7.556 10.863 1.00 1.00 H new ATOM 1233 N TYR A 84 81.410 -8.268 11.734 1.00 1.00 N ATOM 1234 CA TYR A 84 80.200 -7.576 12.262 1.00 1.00 C ATOM 1235 C TYR A 84 79.776 -6.489 11.271 1.00 1.00 C ATOM 1236 O TYR A 84 79.110 -5.535 11.623 1.00 1.00 O ATOM 1237 CB TYR A 84 80.530 -6.941 13.621 1.00 1.00 C ATOM 1238 CG TYR A 84 80.087 -7.865 14.730 1.00 1.00 C ATOM 1239 CD1 TYR A 84 80.494 -9.205 14.729 1.00 1.00 C ATOM 1240 CD2 TYR A 84 79.269 -7.383 15.759 1.00 1.00 C ATOM 1241 CE1 TYR A 84 80.083 -10.062 15.757 1.00 1.00 C ATOM 1242 CE2 TYR A 84 78.859 -8.239 16.787 1.00 1.00 C ATOM 1243 CZ TYR A 84 79.265 -9.579 16.786 1.00 1.00 C ATOM 1244 OH TYR A 84 78.860 -10.424 17.799 1.00 1.00 O ATOM 0 H TYR A 84 82.298 -7.826 11.969 1.00 1.00 H new ATOM 0 HA TYR A 84 79.387 -8.291 12.389 1.00 1.00 H new ATOM 0 HB2 TYR A 84 81.601 -6.753 13.696 1.00 1.00 H new ATOM 0 HB3 TYR A 84 80.030 -5.977 13.715 1.00 1.00 H new ATOM 0 HD1 TYR A 84 81.125 -9.577 13.935 1.00 1.00 H new ATOM 0 HD2 TYR A 84 78.954 -6.350 15.759 1.00 1.00 H new ATOM 0 HE1 TYR A 84 80.397 -11.095 15.756 1.00 1.00 H new ATOM 0 HE2 TYR A 84 78.229 -7.866 17.581 1.00 1.00 H new ATOM 0 HH TYR A 84 78.298 -9.930 18.432 1.00 1.00 H new ATOM 1254 N GLY A 85 80.158 -6.627 10.031 1.00 1.00 N ATOM 1255 CA GLY A 85 79.779 -5.604 9.016 1.00 1.00 C ATOM 1256 C GLY A 85 80.833 -4.496 8.985 1.00 1.00 C ATOM 1257 O GLY A 85 81.335 -4.134 7.940 1.00 1.00 O ATOM 0 H GLY A 85 80.716 -7.404 9.677 1.00 1.00 H new ATOM 0 HA2 GLY A 85 79.694 -6.067 8.033 1.00 1.00 H new ATOM 0 HA3 GLY A 85 78.802 -5.184 9.256 1.00 1.00 H new ATOM 1261 N ILE A 86 81.173 -3.953 10.122 1.00 1.00 N ATOM 1262 CA ILE A 86 82.192 -2.867 10.152 1.00 1.00 C ATOM 1263 C ILE A 86 81.840 -1.810 9.106 1.00 1.00 C ATOM 1264 O ILE A 86 82.266 -1.877 7.970 1.00 1.00 O ATOM 1265 CB ILE A 86 83.570 -3.449 9.840 1.00 1.00 C ATOM 1266 CG1 ILE A 86 83.801 -4.696 10.696 1.00 1.00 C ATOM 1267 CG2 ILE A 86 84.647 -2.409 10.155 1.00 1.00 C ATOM 1268 CD1 ILE A 86 83.464 -4.384 12.155 1.00 1.00 C ATOM 0 H ILE A 86 80.789 -4.214 11.030 1.00 1.00 H new ATOM 0 HA ILE A 86 82.206 -2.411 11.142 1.00 1.00 H new ATOM 0 HB ILE A 86 83.621 -3.716 8.785 1.00 1.00 H new ATOM 0 HG12 ILE A 86 83.181 -5.517 10.336 1.00 1.00 H new ATOM 0 HG13 ILE A 86 84.838 -5.020 10.613 1.00 1.00 H new ATOM 0 HG21 ILE A 86 85.630 -2.824 9.932 1.00 1.00 H new ATOM 0 HG22 ILE A 86 84.483 -1.519 9.547 1.00 1.00 H new ATOM 0 HG23 ILE A 86 84.597 -2.141 11.210 1.00 1.00 H new ATOM 0 HD11 ILE A 86 83.629 -5.273 12.764 1.00 1.00 H new ATOM 0 HD12 ILE A 86 84.103 -3.576 12.511 1.00 1.00 H new ATOM 0 HD13 ILE A 86 82.420 -4.081 12.230 1.00 1.00 H new ATOM 1280 N CYS A 87 81.064 -0.835 9.483 1.00 1.00 N ATOM 1281 CA CYS A 87 80.679 0.232 8.516 1.00 1.00 C ATOM 1282 C CYS A 87 81.812 1.255 8.409 1.00 1.00 C ATOM 1283 CB CYS A 87 79.405 0.927 9.001 1.00 1.00 C ATOM 1284 SG CYS A 87 79.129 2.428 8.027 1.00 1.00 S ATOM 0 H CYS A 87 80.678 -0.729 10.421 1.00 1.00 H new ATOM 0 HA CYS A 87 80.498 -0.212 7.537 1.00 1.00 H new ATOM 0 HB2 CYS A 87 78.552 0.255 8.904 1.00 1.00 H new ATOM 0 HB3 CYS A 87 79.494 1.178 10.058 1.00 1.00 H new TER 1289 CYS A 87 HETATM 1290 C1C RCY A 110 58.874 -9.890 -1.954 1.00 1.00 C HETATM 1291 O1G RCY A 110 56.646 -13.391 1.623 1.00 1.00 O HETATM 1292 O1H RCY A 110 56.692 -9.054 -0.244 1.00 1.00 O HETATM 1293 O1J RCY A 110 59.221 -11.632 -4.386 1.00 1.00 O HETATM 1294 C1L RCY A 110 55.750 -11.239 2.365 1.00 1.00 C HETATM 1295 C1M RCY A 110 57.197 -13.159 -1.509 1.00 1.00 C HETATM 1296 C1P RCY A 110 56.516 -12.184 1.431 1.00 1.00 C HETATM 1297 C1Q RCY A 110 56.741 -9.992 0.551 1.00 1.00 C HETATM 1298 N1R RCY A 110 57.097 -11.438 0.230 1.00 1.00 N HETATM 1299 C1S RCY A 110 56.457 -9.918 2.040 1.00 1.00 C HETATM 1300 C1U RCY A 110 57.845 -11.991 -0.985 1.00 1.00 C HETATM 1301 C1V RCY A 110 56.464 -10.480 -2.476 1.00 1.00 C HETATM 1302 N1V RCY A 110 58.329 -11.948 -3.274 1.00 1.00 N HETATM 1303 C1W RCY A 110 57.658 -13.285 -2.966 1.00 1.00 C HETATM 1304 C1X RCY A 110 57.861 -11.018 -2.163 1.00 1.00 C HETATM 1305 C1Y RCY A 110 56.460 -13.509 -3.893 1.00 1.00 C HETATM 1306 C1Z RCY A 110 58.683 -14.408 -3.130 1.00 1.00 C HETATM 0 H1ZB RCY A 110 59.554 -14.200 -2.508 1.00 1.00 H new HETATM 0 H1ZA RCY A 110 58.237 -15.355 -2.825 1.00 1.00 H new HETATM 0 H1YB RCY A 110 55.944 -14.425 -3.606 1.00 1.00 H new HETATM 0 H1YA RCY A 110 55.774 -12.666 -3.812 1.00 1.00 H new HETATM 0 H1VB RCY A 110 56.119 -9.861 -1.648 1.00 1.00 H new HETATM 0 H1VA RCY A 110 56.500 -9.881 -3.386 1.00 1.00 H new HETATM 0 H1MA RCY A 110 57.469 -14.046 -0.936 1.00 1.00 H new HETATM 0 H1LA RCY A 110 54.683 -11.207 2.143 1.00 1.00 H new HETATM 0 H1CB RCY A 110 58.617 -9.333 -1.053 1.00 1.00 H new HETATM 0 H1CA RCY A 110 59.873 -10.313 -1.846 1.00 1.00 H new HETATM 0 H1Z RCY A 110 58.990 -14.471 -4.174 1.00 1.00 H new HETATM 0 H1Y RCY A 110 56.808 -13.596 -4.922 1.00 1.00 H new HETATM 0 H1V RCY A 110 55.776 -11.314 -2.617 1.00 1.00 H new HETATM 0 H1U RCY A 110 58.851 -12.190 -0.615 1.00 1.00 H new HETATM 0 H1S RCY A 110 57.377 -9.809 2.614 1.00 1.00 H new HETATM 0 H1M RCY A 110 56.113 -13.062 -1.450 1.00 1.00 H new HETATM 0 H1L RCY A 110 55.849 -11.518 3.414 1.00 1.00 H new HETATM 0 H1C RCY A 110 58.855 -9.220 -2.813 1.00 1.00 H new HETATM 1309 C1C RCY A 121 62.794 0.612 -1.648 1.00 1.00 C HETATM 1310 O1G RCY A 121 61.740 -3.734 -3.913 1.00 1.00 O HETATM 1311 O1H RCY A 121 61.437 0.894 -4.798 1.00 1.00 O HETATM 1312 O1J RCY A 121 62.058 -0.202 1.156 1.00 1.00 O HETATM 1313 C1L RCY A 121 62.039 -2.393 -5.938 1.00 1.00 C HETATM 1314 C1M RCY A 121 60.456 -2.256 -1.658 1.00 1.00 C HETATM 1315 C1P RCY A 121 61.708 -2.633 -4.459 1.00 1.00 C HETATM 1316 C1Q RCY A 121 61.346 -0.329 -4.894 1.00 1.00 C HETATM 1317 N1R RCY A 121 61.334 -1.333 -3.749 1.00 1.00 N HETATM 1318 C1S RCY A 121 61.225 -1.118 -6.185 1.00 1.00 C HETATM 1319 C1U RCY A 121 61.026 -1.090 -2.270 1.00 1.00 C HETATM 1320 C1V RCY A 121 63.369 -1.857 -1.693 1.00 1.00 C HETATM 1321 N1V RCY A 121 61.713 -0.971 -0.036 1.00 1.00 N HETATM 1322 C1W RCY A 121 60.706 -2.113 -0.151 1.00 1.00 C HETATM 1323 C1X RCY A 121 62.279 -0.814 -1.440 1.00 1.00 C HETATM 1324 C1Y RCY A 121 61.294 -3.406 0.422 1.00 1.00 C HETATM 1325 C1Z RCY A 121 59.426 -1.729 0.590 1.00 1.00 C HETATM 0 H1ZB RCY A 121 59.056 -0.777 0.208 1.00 1.00 H new HETATM 0 H1ZA RCY A 121 58.671 -2.500 0.436 1.00 1.00 H new HETATM 0 H1YB RCY A 121 60.597 -4.227 0.256 1.00 1.00 H new HETATM 0 H1YA RCY A 121 62.239 -3.627 -0.073 1.00 1.00 H new HETATM 0 H1VB RCY A 121 63.725 -1.769 -2.719 1.00 1.00 H new HETATM 0 H1VA RCY A 121 64.198 -1.690 -1.006 1.00 1.00 H new HETATM 0 H1MA RCY A 121 59.389 -2.325 -1.871 1.00 1.00 H new HETATM 0 H1LA RCY A 121 63.106 -2.247 -6.109 1.00 1.00 H new HETATM 0 H1CB RCY A 121 63.040 0.760 -2.699 1.00 1.00 H new HETATM 0 H1Z RCY A 121 59.636 -1.635 1.655 1.00 1.00 H new HETATM 0 H1Y RCY A 121 61.465 -3.285 1.492 1.00 1.00 H new HETATM 0 H1V RCY A 121 62.961 -2.855 -1.534 1.00 1.00 H new HETATM 0 H1U RCY A 121 60.351 -0.234 -2.273 1.00 1.00 H new HETATM 0 H1S RCY A 121 60.184 -1.350 -6.412 1.00 1.00 H new HETATM 0 H1M RCY A 121 60.918 -3.164 -2.045 1.00 1.00 H new HETATM 0 H1L RCY A 121 61.724 -3.219 -6.576 1.00 1.00 H new HETATM 1328 C1C RCY A 130 80.100 0.274 -7.141 1.00 1.00 C HETATM 1329 O1G RCY A 130 77.721 -3.600 -7.338 1.00 1.00 O HETATM 1330 O1H RCY A 130 78.664 -0.527 -10.798 1.00 1.00 O HETATM 1331 O1J RCY A 130 78.751 1.654 -4.829 1.00 1.00 O HETATM 1332 C1L RCY A 130 78.374 -3.865 -9.681 1.00 1.00 C HETATM 1333 C1M RCY A 130 76.511 -0.610 -6.964 1.00 1.00 C HETATM 1334 C1P RCY A 130 77.986 -3.081 -8.421 1.00 1.00 C HETATM 1335 C1Q RCY A 130 78.252 -1.504 -10.174 1.00 1.00 C HETATM 1336 N1R RCY A 130 77.969 -1.575 -8.679 1.00 1.00 N HETATM 1337 C1S RCY A 130 77.930 -2.868 -10.757 1.00 1.00 C HETATM 1338 C1U RCY A 130 77.731 -0.426 -7.696 1.00 1.00 C HETATM 1339 C1V RCY A 130 79.046 -1.698 -5.946 1.00 1.00 C HETATM 1340 N1V RCY A 130 78.127 0.610 -5.635 1.00 1.00 N HETATM 1341 C1W RCY A 130 76.648 0.230 -5.688 1.00 1.00 C HETATM 1342 C1X RCY A 130 78.803 -0.342 -6.611 1.00 1.00 C HETATM 1343 C1Y RCY A 130 76.264 -0.595 -4.456 1.00 1.00 C HETATM 1344 C1Z RCY A 130 75.806 1.503 -5.768 1.00 1.00 C HETATM 0 H1ZB RCY A 130 76.135 2.104 -6.616 1.00 1.00 H new HETATM 0 H1ZA RCY A 130 74.757 1.238 -5.897 1.00 1.00 H new HETATM 0 H1YB RCY A 130 75.231 -0.929 -4.549 1.00 1.00 H new HETATM 0 H1YA RCY A 130 76.920 -1.462 -4.380 1.00 1.00 H new HETATM 0 H1VB RCY A 130 79.479 -2.387 -6.671 1.00 1.00 H new HETATM 0 H1VA RCY A 130 79.732 -1.575 -5.108 1.00 1.00 H new HETATM 0 H1MA RCY A 130 75.652 -0.288 -7.552 1.00 1.00 H new HETATM 0 H1LA RCY A 130 79.442 -4.080 -9.726 1.00 1.00 H new HETATM 0 H1CB RCY A 130 80.486 -0.337 -7.957 1.00 1.00 H new HETATM 0 H1CA RCY A 130 79.902 1.282 -7.505 1.00 1.00 H new HETATM 0 H1Z RCY A 130 75.925 2.076 -4.849 1.00 1.00 H new HETATM 0 H1Y RCY A 130 76.368 0.018 -3.561 1.00 1.00 H new HETATM 0 H1V RCY A 130 78.100 -2.100 -5.584 1.00 1.00 H new HETATM 0 H1U RCY A 130 77.724 0.466 -8.322 1.00 1.00 H new HETATM 0 H1S RCY A 130 76.866 -2.966 -10.973 1.00 1.00 H new HETATM 0 H1M RCY A 130 76.356 -1.662 -6.723 1.00 1.00 H new HETATM 0 H1L RCY A 130 77.853 -4.819 -9.756 1.00 1.00 H new HETATM 0 H1C RCY A 130 80.837 0.316 -6.339 1.00 1.00 H new HETATM 1347 C1C RCY A 138 84.831 1.377 3.328 1.00 1.00 C HETATM 1348 O1G RCY A 138 88.850 4.637 2.559 1.00 1.00 O HETATM 1349 O1H RCY A 138 85.071 2.913 0.313 1.00 1.00 O HETATM 1350 O1J RCY A 138 83.102 2.585 5.477 1.00 1.00 O HETATM 1351 C1L RCY A 138 88.406 4.071 0.221 1.00 1.00 C HETATM 1352 C1M RCY A 138 85.508 4.995 3.714 1.00 1.00 C HETATM 1353 C1P RCY A 138 88.079 4.183 1.715 1.00 1.00 C HETATM 1354 C1Q RCY A 138 86.228 3.130 0.670 1.00 1.00 C HETATM 1355 N1R RCY A 138 86.677 3.662 2.025 1.00 1.00 N HETATM 1356 C1S RCY A 138 87.478 2.914 -0.165 1.00 1.00 C HETATM 1357 C1U RCY A 138 85.912 3.667 3.350 1.00 1.00 C HETATM 1358 C1V RCY A 138 83.760 3.298 2.066 1.00 1.00 C HETATM 1359 N1V RCY A 138 83.934 3.362 4.564 1.00 1.00 N HETATM 1360 C1W RCY A 138 84.331 4.832 4.685 1.00 1.00 C HETATM 1361 C1X RCY A 138 84.599 2.889 3.279 1.00 1.00 C HETATM 1362 C1Y RCY A 138 83.166 5.737 4.275 1.00 1.00 C HETATM 1363 C1Z RCY A 138 84.756 5.119 6.125 1.00 1.00 C HETATM 0 H1ZB RCY A 138 85.545 4.425 6.417 1.00 1.00 H new HETATM 0 H1ZA RCY A 138 85.127 6.141 6.198 1.00 1.00 H new HETATM 0 H1YB RCY A 138 83.492 6.777 4.286 1.00 1.00 H new HETATM 0 H1VB RCY A 138 84.274 3.002 1.152 1.00 1.00 H new HETATM 0 H1VA RCY A 138 82.789 2.805 2.112 1.00 1.00 H new HETATM 0 H1MA RCY A 138 86.329 5.537 4.184 1.00 1.00 H new HETATM 0 H1CB RCY A 138 85.452 1.077 2.484 1.00 1.00 H new HETATM 0 H1CA RCY A 138 85.333 1.116 4.260 1.00 1.00 H new HETATM 0 H1Z RCY A 138 83.900 4.995 6.789 1.00 1.00 H new HETATM 0 H1Y RCY A 138 82.341 5.608 4.975 1.00 1.00 H new HETATM 0 H1V RCY A 138 83.619 4.379 2.069 1.00 1.00 H new HETATM 0 H1U RCY A 138 86.605 3.220 4.063 1.00 1.00 H new HETATM 0 H1S RCY A 138 87.937 1.949 0.051 1.00 1.00 H new HETATM 0 H1M RCY A 138 85.211 5.567 2.835 1.00 1.00 H new HETATM 0 H1C RCY A 138 83.873 0.860 3.275 1.00 1.00 H new HETATM 1366 C1C RCY A 150 81.596 7.312 2.417 1.00 1.00 C HETATM 1367 O1G RCY A 150 78.370 5.703 -0.227 1.00 1.00 O HETATM 1368 O1H RCY A 150 77.836 8.453 3.575 1.00 1.00 O HETATM 1369 O1J RCY A 150 83.068 4.798 3.179 1.00 1.00 O HETATM 1370 C1L RCY A 150 76.953 7.640 0.254 1.00 1.00 C HETATM 1371 C1M RCY A 150 79.284 4.435 2.673 1.00 1.00 C HETATM 1372 C1P RCY A 150 77.986 6.552 0.577 1.00 1.00 C HETATM 1373 C1Q RCY A 150 77.609 7.775 2.574 1.00 1.00 C HETATM 1374 N1R RCY A 150 78.477 6.653 2.020 1.00 1.00 N HETATM 1375 C1S RCY A 150 76.404 7.905 1.660 1.00 1.00 C HETATM 1376 C1U RCY A 150 79.560 5.842 2.734 1.00 1.00 C HETATM 1377 C1V RCY A 150 80.864 5.743 0.566 1.00 1.00 C HETATM 1378 N1V RCY A 150 81.671 4.832 2.755 1.00 1.00 N HETATM 1379 C1W RCY A 150 80.626 3.726 2.893 1.00 1.00 C HETATM 1380 C1X RCY A 150 80.932 5.977 2.076 1.00 1.00 C HETATM 1381 C1Y RCY A 150 80.845 2.647 1.829 1.00 1.00 C HETATM 1382 C1Z RCY A 150 80.715 3.126 4.296 1.00 1.00 C HETATM 0 H1ZB RCY A 150 80.617 3.919 5.038 1.00 1.00 H new HETATM 0 H1ZA RCY A 150 79.914 2.400 4.433 1.00 1.00 H new HETATM 0 H1YB RCY A 150 80.043 1.911 1.887 1.00 1.00 H new HETATM 0 H1YA RCY A 150 80.846 3.106 0.840 1.00 1.00 H new HETATM 0 H1VB RCY A 150 80.285 6.541 0.100 1.00 1.00 H new HETATM 0 H1VA RCY A 150 81.873 5.738 0.153 1.00 1.00 H new HETATM 0 H1MA RCY A 150 78.562 4.147 3.437 1.00 1.00 H new HETATM 0 H1CB RCY A 150 80.967 8.131 2.068 1.00 1.00 H new HETATM 0 H1CA RCY A 150 81.725 7.389 3.497 1.00 1.00 H new HETATM 0 H1Z RCY A 150 81.678 2.631 4.420 1.00 1.00 H new HETATM 0 H1Y RCY A 150 81.802 2.155 2.001 1.00 1.00 H new HETATM 0 H1V RCY A 150 80.385 4.784 0.368 1.00 1.00 H new HETATM 0 H1U RCY A 150 79.562 6.234 3.751 1.00 1.00 H new HETATM 0 H1M RCY A 150 78.854 4.164 1.709 1.00 1.00 H new HETATM 0 H1C RCY A 150 82.570 7.369 1.930 1.00 1.00 H new HETATM 1385 C1C RCY A 160 77.713 9.538 -1.175 1.00 1.00 C HETATM 1386 O1G RCY A 160 76.377 8.826 -3.389 1.00 1.00 O HETATM 1387 O1H RCY A 160 72.216 8.698 -1.159 1.00 1.00 O HETATM 1388 O1J RCY A 160 78.202 9.776 1.787 1.00 1.00 O HETATM 1389 C1L RCY A 160 74.123 8.176 -4.085 1.00 1.00 C HETATM 1390 C1M RCY A 160 74.584 9.055 0.740 1.00 1.00 C HETATM 1391 C1P RCY A 160 75.195 8.652 -3.096 1.00 1.00 C HETATM 1392 C1Q RCY A 160 73.173 8.414 -1.877 1.00 1.00 C HETATM 1393 N1R RCY A 160 74.612 8.882 -1.703 1.00 1.00 N HETATM 1394 C1S RCY A 160 73.136 7.527 -3.108 1.00 1.00 C HETATM 1395 C1U RCY A 160 75.290 9.439 -0.449 1.00 1.00 C HETATM 1396 C1V RCY A 160 76.725 7.356 -0.344 1.00 1.00 C HETATM 1397 N1V RCY A 160 76.947 9.316 1.199 1.00 1.00 N HETATM 1398 C1W RCY A 160 75.593 9.163 1.890 1.00 1.00 C HETATM 1399 C1X RCY A 160 76.697 8.882 -0.238 1.00 1.00 C HETATM 1400 C1Y RCY A 160 75.570 7.895 2.747 1.00 1.00 C HETATM 1401 C1Z RCY A 160 75.327 10.399 2.749 1.00 1.00 C HETATM 0 H1ZA RCY A 160 74.324 10.339 3.173 1.00 1.00 H new HETATM 0 H1YB RCY A 160 74.573 7.756 3.164 1.00 1.00 H new HETATM 0 H1VB RCY A 160 76.489 7.058 -1.365 1.00 1.00 H new HETATM 0 H1MA RCY A 160 73.727 9.706 0.911 1.00 1.00 H new HETATM 0 H1LA RCY A 160 73.677 8.998 -4.645 1.00 1.00 H new HETATM 0 H1CB RCY A 160 77.424 9.355 -2.210 1.00 1.00 H new HETATM 0 H1CA RCY A 160 77.739 10.612 -0.990 1.00 1.00 H new HETATM 0 H1Z RCY A 160 76.059 10.446 3.555 1.00 1.00 H new HETATM 0 H1Y RCY A 160 76.292 7.991 3.558 1.00 1.00 H new HETATM 0 H1V RCY A 160 75.989 6.930 0.338 1.00 1.00 H new HETATM 0 H1U RCY A 160 75.305 10.517 -0.608 1.00 1.00 H new HETATM 0 H1S RCY A 160 73.430 6.505 -2.869 1.00 1.00 H new HETATM 0 H1M RCY A 160 74.200 8.039 0.653 1.00 1.00 H new HETATM 0 H1L RCY A 160 74.514 7.468 -4.816 1.00 1.00 H new HETATM 0 H1C RCY A 160 78.701 9.115 -0.994 1.00 1.00 H new HETATM 1404 C1C RCY A 168 70.326 -3.114 9.057 1.00 1.00 C HETATM 1405 O1G RCY A 168 68.174 -3.520 7.468 1.00 1.00 O HETATM 1406 O1H RCY A 168 71.249 -2.070 4.191 1.00 1.00 O HETATM 1407 O1J RCY A 168 68.680 -5.625 8.828 1.00 1.00 O HETATM 1408 C1L RCY A 168 67.977 -2.055 5.518 1.00 1.00 C HETATM 1409 C1M RCY A 168 71.431 -5.180 6.193 1.00 1.00 C HETATM 1410 C1P RCY A 168 68.714 -2.955 6.519 1.00 1.00 C HETATM 1411 C1Q RCY A 168 70.339 -2.097 5.018 1.00 1.00 C HETATM 1412 N1R RCY A 168 70.202 -3.062 6.188 1.00 1.00 N HETATM 1413 C1S RCY A 168 69.139 -1.168 5.059 1.00 1.00 C HETATM 1414 C1U RCY A 168 71.283 -3.915 6.854 1.00 1.00 C HETATM 1415 C1V RCY A 168 72.142 -4.882 9.031 1.00 1.00 C HETATM 1416 N1V RCY A 168 69.889 -5.365 8.051 1.00 1.00 N HETATM 1417 C1W RCY A 168 70.381 -6.111 6.812 1.00 1.00 C HETATM 1418 C1X RCY A 168 70.939 -4.290 8.295 1.00 1.00 C HETATM 1419 C1Y RCY A 168 71.013 -7.448 7.208 1.00 1.00 C HETATM 1420 C1Z RCY A 168 69.205 -6.331 5.860 1.00 1.00 C HETATM 0 H1ZB RCY A 168 68.732 -5.374 5.638 1.00 1.00 H new HETATM 0 H1VB RCY A 168 72.909 -4.116 9.150 1.00 1.00 H new HETATM 0 H1MA RCY A 168 71.276 -5.078 5.119 1.00 1.00 H new HETATM 0 H1CB RCY A 168 71.034 -2.286 9.079 1.00 1.00 H new HETATM 0 H1CA RCY A 168 69.410 -2.795 8.559 1.00 1.00 H new HETATM 0 H1Z RCY A 168 68.478 -6.995 6.327 1.00 1.00 H new HETATM 0 H1C RCY A 168 70.096 -3.422 10.077 1.00 1.00 H new HETATM 1423 C1C RCY A 173 74.641 -5.580 0.813 1.00 1.00 C HETATM 1424 O1G RCY A 173 71.695 -4.795 0.794 1.00 1.00 O HETATM 1425 O1H RCY A 173 72.831 -5.363 5.342 1.00 1.00 O HETATM 1426 O1J RCY A 173 73.145 -3.539 -0.820 1.00 1.00 O HETATM 1427 C1L RCY A 173 70.603 -5.935 2.663 1.00 1.00 C HETATM 1428 C1M RCY A 173 73.839 -2.582 2.828 1.00 1.00 C HETATM 1429 C1P RCY A 173 71.718 -5.138 1.975 1.00 1.00 C HETATM 1430 C1Q RCY A 173 72.431 -5.566 4.197 1.00 1.00 C HETATM 1431 N1R RCY A 173 72.862 -4.825 2.938 1.00 1.00 N HETATM 1432 C1S RCY A 173 71.411 -6.609 3.777 1.00 1.00 C HETATM 1433 C1U RCY A 173 74.120 -3.984 2.708 1.00 1.00 C HETATM 1434 C1V RCY A 173 76.079 -3.524 1.172 1.00 1.00 C HETATM 1435 N1V RCY A 173 73.673 -3.289 0.518 1.00 1.00 N HETATM 1436 C1W RCY A 173 73.340 -2.127 1.452 1.00 1.00 C HETATM 1437 C1X RCY A 173 74.679 -4.128 1.294 1.00 1.00 C HETATM 1438 C1Y RCY A 173 74.070 -0.856 1.007 1.00 1.00 C HETATM 1439 C1Z RCY A 173 71.827 -1.906 1.455 1.00 1.00 C HETATM 0 H1ZB RCY A 173 71.324 -2.837 1.716 1.00 1.00 H new HETATM 0 H1ZA RCY A 173 71.573 -1.139 2.187 1.00 1.00 H new HETATM 0 H1YB RCY A 173 73.888 -0.060 1.729 1.00 1.00 H new HETATM 0 H1YA RCY A 173 75.140 -1.053 0.947 1.00 1.00 H new HETATM 0 H1VB RCY A 173 76.779 -4.102 1.776 1.00 1.00 H new HETATM 0 H1VA RCY A 173 76.395 -3.546 0.129 1.00 1.00 H new HETATM 0 H1MA RCY A 173 73.086 -2.400 3.595 1.00 1.00 H new HETATM 0 H1LA RCY A 173 69.811 -5.295 3.051 1.00 1.00 H new HETATM 0 H1CB RCY A 173 75.238 -6.200 1.481 1.00 1.00 H new HETATM 0 H1CA RCY A 173 73.611 -5.936 0.811 1.00 1.00 H new HETATM 0 H1Z RCY A 173 71.504 -1.584 0.465 1.00 1.00 H new HETATM 0 H1Y RCY A 173 73.702 -0.549 0.028 1.00 1.00 H new HETATM 0 H1V RCY A 173 76.062 -2.492 1.524 1.00 1.00 H new HETATM 0 H1U RCY A 173 74.825 -4.345 3.457 1.00 1.00 H new HETATM 0 H1S RCY A 173 71.897 -7.517 3.420 1.00 1.00 H new HETATM 0 H1M RCY A 173 74.732 -2.030 3.121 1.00 1.00 H new HETATM 0 H1L RCY A 173 70.132 -6.656 1.995 1.00 1.00 H new HETATM 0 H1C RCY A 173 75.047 -5.640 -0.197 1.00 1.00 H new HETATM 1442 C1C RCY A 176 79.221 -3.696 -0.067 1.00 1.00 C HETATM 1443 O1G RCY A 176 77.496 -4.656 0.224 1.00 1.00 O HETATM 1444 O1H RCY A 176 79.467 -8.585 1.948 1.00 1.00 O HETATM 1445 O1J RCY A 176 79.581 -2.988 2.838 1.00 1.00 O HETATM 1446 C1L RCY A 176 76.574 -6.721 1.158 1.00 1.00 C HETATM 1447 C1M RCY A 176 81.375 -6.164 1.653 1.00 1.00 C HETATM 1448 C1P RCY A 176 77.689 -5.779 0.687 1.00 1.00 C HETATM 1449 C1Q RCY A 176 78.721 -7.808 1.354 1.00 1.00 C HETATM 1450 N1R RCY A 176 79.070 -6.408 0.864 1.00 1.00 N HETATM 1451 C1S RCY A 176 77.276 -8.071 0.973 1.00 1.00 C HETATM 1452 C1U RCY A 176 80.452 -5.800 0.617 1.00 1.00 C HETATM 1453 C1V RCY A 176 81.749 -3.684 0.118 1.00 1.00 C HETATM 1454 N1V RCY A 176 80.331 -4.037 2.152 1.00 1.00 N HETATM 1455 C1W RCY A 176 81.178 -5.142 2.780 1.00 1.00 C HETATM 1456 C1X RCY A 176 80.442 -4.273 0.652 1.00 1.00 C HETATM 1457 C1Y RCY A 176 82.527 -4.585 3.243 1.00 1.00 C HETATM 1458 C1Z RCY A 176 80.414 -5.752 3.955 1.00 1.00 C HETATM 0 H1ZB RCY A 176 79.434 -6.088 3.617 1.00 1.00 H new HETATM 0 H1ZA RCY A 176 80.972 -6.601 4.350 1.00 1.00 H new HETATM 0 H1YB RCY A 176 83.150 -5.400 3.610 1.00 1.00 H new HETATM 0 H1YA RCY A 176 83.025 -4.096 2.406 1.00 1.00 H new HETATM 0 H1VB RCY A 176 81.842 -3.908 -0.945 1.00 1.00 H new HETATM 0 H1VA RCY A 176 81.747 -2.604 0.262 1.00 1.00 H new HETATM 0 H1MA RCY A 176 81.183 -7.177 2.008 1.00 1.00 H new HETATM 0 H1LA RCY A 176 76.284 -6.540 2.193 1.00 1.00 H new HETATM 0 H1CB RCY A 176 79.229 -4.014 -1.110 1.00 1.00 H new HETATM 0 H1Z RCY A 176 80.291 -5.003 4.737 1.00 1.00 H new HETATM 0 H1Y RCY A 176 82.367 -3.862 4.043 1.00 1.00 H new HETATM 0 H1V RCY A 176 82.591 -4.120 0.655 1.00 1.00 H new HETATM 0 H1U RCY A 176 80.740 -6.177 -0.364 1.00 1.00 H new HETATM 0 H1S RCY A 176 77.195 -8.422 -0.056 1.00 1.00 H new HETATM 0 H1M RCY A 176 82.401 -6.145 1.285 1.00 1.00 H new HETATM 0 H1L RCY A 176 75.671 -6.634 0.554 1.00 1.00 H new HETATM 1461 C1C RCY A 187 77.354 -2.727 5.646 1.00 1.00 C HETATM 1462 O1G RCY A 187 77.251 1.902 3.273 1.00 1.00 O HETATM 1463 O1H RCY A 187 79.490 -0.291 6.806 1.00 1.00 O HETATM 1464 O1J RCY A 187 78.416 -4.745 3.679 1.00 1.00 O HETATM 1465 C1L RCY A 187 78.114 2.658 5.435 1.00 1.00 C HETATM 1466 C1M RCY A 187 79.219 -1.074 2.911 1.00 1.00 C HETATM 1467 C1P RCY A 187 77.797 1.629 4.342 1.00 1.00 C HETATM 1468 C1Q RCY A 187 78.736 0.443 6.169 1.00 1.00 C HETATM 1469 N1R RCY A 187 78.245 0.225 4.744 1.00 1.00 N HETATM 1470 C1S RCY A 187 78.122 1.740 6.663 1.00 1.00 C HETATM 1471 C1U RCY A 187 78.212 -1.072 3.933 1.00 1.00 C HETATM 1472 C1V RCY A 187 79.812 -2.110 5.599 1.00 1.00 C HETATM 1473 N1V RCY A 187 78.774 -3.329 3.673 1.00 1.00 N HETATM 1474 C1W RCY A 187 79.469 -2.546 2.561 1.00 1.00 C HETATM 1475 C1X RCY A 187 78.538 -2.305 4.774 1.00 1.00 C HETATM 1476 C1Y RCY A 187 80.970 -2.850 2.550 1.00 1.00 C HETATM 1477 C1Z RCY A 187 78.836 -2.914 1.219 1.00 1.00 C HETATM 0 H1ZB RCY A 187 77.760 -2.747 1.266 1.00 1.00 H new HETATM 0 H1YB RCY A 187 81.463 -2.222 1.808 1.00 1.00 H new HETATM 0 H1YA RCY A 187 81.390 -2.645 3.535 1.00 1.00 H new HETATM 0 H1VB RCY A 187 79.646 -1.335 6.347 1.00 1.00 H new HETATM 0 H1VA RCY A 187 80.070 -3.045 6.096 1.00 1.00 H new HETATM 0 H1MA RCY A 187 78.886 -0.517 2.035 1.00 1.00 H new HETATM 0 H1LA RCY A 187 79.072 3.153 5.277 1.00 1.00 H new HETATM 0 H1CB RCY A 187 77.091 -1.913 6.321 1.00 1.00 H new HETATM 0 H1CA RCY A 187 76.500 -2.962 5.011 1.00 1.00 H new HETATM 0 H1V RCY A 187 80.629 -1.811 4.942 1.00 1.00 H new HETATM 0 H1U RCY A 187 77.198 -1.114 3.535 1.00 1.00 H new HETATM 0 H1S RCY A 187 77.114 1.581 7.045 1.00 1.00 H new HETATM 0 H1M RCY A 187 80.133 -0.597 3.264 1.00 1.00 H new HETATM 0 H1L RCY A 187 77.358 3.441 5.504 1.00 1.00 H new HETATM 0 H1C RCY A 187 77.627 -3.607 6.228 1.00 1.00 H new