USER MOD reduce.3.24.130724 H: found=0, std=0, add=796, 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 11 ARGHH11 : A 11 ARG NH1 : A 110 RCY O1J :(H bumps) USER MOD NoAdj-H: A 11 ARGHH12 : A 11 ARG NH1 : A 110 RCY O1J :(H bumps) USER MOD NoAdj-H: A 74 ASNHD22 : A 74 ASN ND2 : A 176 RCY C1Y :(H bumps) USER MOD NoAdj-H: A 110 RCYH1YA : A 110 RCY C1Y : A 11 ARG CD :(H bumps) USER MOD NoAdj-H: A 110 RCYH1VB : A 110 RCY C1V : A 11 ARG CB :(H bumps) USER MOD NoAdj-H: A 110 RCYH1VA : A 110 RCY C1V : A 11 ARG C :(H bumps) USER MOD NoAdj-H: A 110 RCYH1SA : A 110 RCY C1S : A 10 CYS SG :(H bumps) USER MOD NoAdj-H: A 110 RCY H1Y : A 110 RCY C1Y : A 11 ARG CD :(H bumps) USER MOD NoAdj-H: A 110 RCY H1V : A 110 RCY C1V : A 11 ARG CB :(H bumps) USER MOD NoAdj-H: A 110 RCY H1C : A 110 RCY C1C : A 11 ARG C :(H bumps) USER MOD NoAdj-H: A 121 RCYH1SA : A 121 RCY C1S : A 21 CYS SG :(H bumps) USER MOD NoAdj-H: A 130 RCYH1SA : A 130 RCY C1S : A 30 CYS SG :(H bumps) USER MOD NoAdj-H: A 130 RCY H1S : A 130 RCY C1S : A 30 CYS O :(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 RCYH1CA : A 138 RCY C1C : A 187 RCY C1V :(H bumps) USER MOD NoAdj-H: A 150 RCYH1SA : A 150 RCY C1S : A 50 CYS SG :(H bumps) USER MOD NoAdj-H: A 160 RCYH1VB : A 160 RCY C1V : A 168 RCY C1V :(H bumps) USER MOD NoAdj-H: A 160 RCYH1VA : A 160 RCY C1V : A 168 RCY C1V :(H bumps) USER MOD NoAdj-H: A 160 RCYH1SA : A 160 RCY C1S : A 60 CYS SG :(H bumps) USER MOD NoAdj-H: A 160 RCY H1Y : A 160 RCY C1Y : A 168 RCY C1Z :(H bumps) USER MOD NoAdj-H: A 168 RCYH1ZB : A 168 RCY C1Z : A 160 RCY C1Y :(H bumps) USER MOD NoAdj-H: A 168 RCYH1VB : A 168 RCY C1V : A 160 RCY C1V :(H bumps) USER MOD NoAdj-H: A 168 RCYH1VA : A 168 RCY C1V : A 160 RCY C1X :(H bumps) USER MOD NoAdj-H: A 168 RCYH1SA : A 168 RCY C1S : A 68 CYS SG :(H bumps) USER MOD NoAdj-H: A 168 RCY H1Z : A 168 RCY C1Z : A 160 RCY C1W :(H bumps) USER MOD NoAdj-H: A 168 RCY H1Y : A 168 RCY C1Y : A 160 RCY N1V :(H bumps) USER MOD NoAdj-H: A 168 RCY H1V : A 168 RCY C1V : A 160 RCY C1V :(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 RCYH1YB : A 176 RCY C1Y : A 74 ASN ND2 :(H bumps) USER MOD NoAdj-H: A 176 RCYH1YA : A 176 RCY C1Y : A 74 ASN ND2 :(H bumps) USER MOD NoAdj-H: A 176 RCYH1SA : A 176 RCY C1S : A 76 CYS SG :(H bumps) USER MOD NoAdj-H: A 176 RCY H1Z : A 176 RCY C1Z : A 75 HIS N :(H bumps) USER MOD NoAdj-H: A 176 RCY H1Y : A 176 RCY C1Y : A 74 ASN CB :(H bumps) USER MOD NoAdj-H: A 187 RCYH1VB : A 187 RCY C1V : A 138 RCY N1V :(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 H1V : A 187 RCY C1V : A 138 RCY C1X :(H bumps) USER MOD Single : A 1 MET CE :methyl 143:sc= -0.379 (180deg=-1.69!) USER MOD Single : A 1 MET N :NH3+ -103:sc= -0.631! (180deg=-2.97!) USER MOD Single : A 2 ASN : amide:sc= -0.0844 K(o=-0.084,f=-2.3!) USER MOD Single : A 7 LYS NZ :NH3+ 146:sc= -0.211 (180deg=-1.27!) USER MOD Single : A 12 SER OG : rot -107:sc= -2.44! USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 153:sc= -0.134 (180deg=-0.861) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 GLN : amide:sc= -1.32! K(o=-1.3!,f=0) USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0.4) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -3.04! C(o=-3!,f=-2.8!) USER MOD Single : A 39 LYS NZ :NH3+ 155:sc= -0.3 (180deg=-1.95) USER MOD Single : A 40 SER OG : rot 180:sc= -0.313 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ -161:sc= -0.0645 (180deg=-0.912) USER MOD Single : A 48 GLN : amide:sc= -6.55! C(o=-6.5!,f=-5.1!) USER MOD Single : A 57 MET CE :methyl 128:sc= -0.667 (180deg=-1.81!) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 HIS : no HD1:sc= -0.133 X(o=-0.13,f=-0.3) USER MOD Single : A 79 HIS : no HD1:sc= -0.993 K(o=-0.99,f=-0.37) USER MOD Single : A 83 GLN : amide:sc= -0.0998 X(o=-0.1,f=-0.1) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 53.121 1.606 14.735 1.00 1.00 N ATOM 2 CA MET A 1 53.561 1.848 13.332 1.00 1.00 C ATOM 3 C MET A 1 54.650 0.840 12.959 1.00 1.00 C ATOM 4 O MET A 1 54.555 0.147 11.966 1.00 1.00 O ATOM 5 CB MET A 1 54.119 3.268 13.208 1.00 1.00 C ATOM 6 CG MET A 1 53.168 4.253 13.891 1.00 1.00 C ATOM 7 SD MET A 1 53.381 4.150 15.686 1.00 1.00 S ATOM 8 CE MET A 1 55.048 4.848 15.757 1.00 1.00 C ATOM 0 H1 MET A 1 52.207 1.110 14.731 1.00 1.00 H new ATOM 0 H2 MET A 1 53.829 1.023 15.225 1.00 1.00 H new ATOM 0 H3 MET A 1 53.020 2.516 15.229 1.00 1.00 H new ATOM 0 HA MET A 1 52.710 1.732 12.660 1.00 1.00 H new ATOM 0 HB2 MET A 1 55.107 3.323 13.666 1.00 1.00 H new ATOM 0 HB3 MET A 1 54.240 3.532 12.157 1.00 1.00 H new ATOM 0 HG2 MET A 1 53.370 5.268 13.548 1.00 1.00 H new ATOM 0 HG3 MET A 1 52.136 4.025 13.623 1.00 1.00 H new ATOM 0 HE1 MET A 1 55.145 5.468 16.648 1.00 1.00 H new ATOM 0 HE2 MET A 1 55.779 4.041 15.795 1.00 1.00 H new ATOM 0 HE3 MET A 1 55.226 5.457 14.870 1.00 1.00 H new ATOM 17 N ASN A 2 55.686 0.754 13.749 1.00 1.00 N ATOM 18 CA ASN A 2 56.782 -0.208 13.440 1.00 1.00 C ATOM 19 C ASN A 2 56.432 -1.584 14.011 1.00 1.00 C ATOM 20 O ASN A 2 56.828 -2.604 13.484 1.00 1.00 O ATOM 21 CB ASN A 2 58.086 0.287 14.070 1.00 1.00 C ATOM 22 CG ASN A 2 58.597 1.503 13.295 1.00 1.00 C ATOM 23 OD1 ASN A 2 57.863 2.112 12.543 1.00 1.00 O ATOM 24 ND2 ASN A 2 59.836 1.885 13.448 1.00 1.00 N ATOM 0 H ASN A 2 55.821 1.308 14.595 1.00 1.00 H new ATOM 0 HA ASN A 2 56.904 -0.284 12.359 1.00 1.00 H new ATOM 0 HB2 ASN A 2 57.920 0.551 15.114 1.00 1.00 H new ATOM 0 HB3 ASN A 2 58.833 -0.507 14.057 1.00 1.00 H new ATOM 0 HD21 ASN A 2 60.187 2.694 12.936 1.00 1.00 H new ATOM 0 HD22 ASN A 2 60.453 1.374 14.079 1.00 1.00 H new ATOM 31 N LEU A 3 55.693 -1.621 15.087 1.00 1.00 N ATOM 32 CA LEU A 3 55.321 -2.932 15.690 1.00 1.00 C ATOM 33 C LEU A 3 56.583 -3.771 15.902 1.00 1.00 C ATOM 34 O LEU A 3 57.675 -3.365 15.557 1.00 1.00 O ATOM 35 CB LEU A 3 54.366 -3.675 14.748 1.00 1.00 C ATOM 36 CG LEU A 3 52.938 -3.174 14.969 1.00 1.00 C ATOM 37 CD1 LEU A 3 52.869 -1.676 14.666 1.00 1.00 C ATOM 38 CD2 LEU A 3 51.985 -3.925 14.036 1.00 1.00 C ATOM 0 H LEU A 3 55.331 -0.801 15.574 1.00 1.00 H new ATOM 0 HA LEU A 3 54.829 -2.765 16.648 1.00 1.00 H new ATOM 0 HB2 LEU A 3 54.663 -3.514 13.712 1.00 1.00 H new ATOM 0 HB3 LEU A 3 54.419 -4.748 14.932 1.00 1.00 H new ATOM 0 HG LEU A 3 52.649 -3.349 16.005 1.00 1.00 H new ATOM 0 HD11 LEU A 3 51.851 -1.319 14.824 1.00 1.00 H new ATOM 0 HD12 LEU A 3 53.548 -1.139 15.328 1.00 1.00 H new ATOM 0 HD13 LEU A 3 53.158 -1.501 13.630 1.00 1.00 H new ATOM 0 HD21 LEU A 3 50.967 -3.569 14.193 1.00 1.00 H new ATOM 0 HD22 LEU A 3 52.276 -3.749 13.000 1.00 1.00 H new ATOM 0 HD23 LEU A 3 52.033 -4.993 14.250 1.00 1.00 H new ATOM 50 N GLU A 4 56.442 -4.939 16.465 1.00 1.00 N ATOM 51 CA GLU A 4 57.632 -5.805 16.696 1.00 1.00 C ATOM 52 C GLU A 4 58.365 -6.016 15.366 1.00 1.00 C ATOM 53 O GLU A 4 57.765 -5.968 14.310 1.00 1.00 O ATOM 54 CB GLU A 4 57.171 -7.156 17.252 1.00 1.00 C ATOM 55 CG GLU A 4 56.912 -7.029 18.755 1.00 1.00 C ATOM 56 CD GLU A 4 58.246 -6.906 19.494 1.00 1.00 C ATOM 57 OE1 GLU A 4 58.961 -7.892 19.553 1.00 1.00 O ATOM 58 OE2 GLU A 4 58.529 -5.827 19.989 1.00 1.00 O ATOM 0 H GLU A 4 55.553 -5.332 16.775 1.00 1.00 H new ATOM 0 HA GLU A 4 58.305 -5.331 17.410 1.00 1.00 H new ATOM 0 HB2 GLU A 4 56.264 -7.480 16.742 1.00 1.00 H new ATOM 0 HB3 GLU A 4 57.930 -7.916 17.066 1.00 1.00 H new ATOM 0 HG2 GLU A 4 56.291 -6.156 18.955 1.00 1.00 H new ATOM 0 HG3 GLU A 4 56.363 -7.899 19.115 1.00 1.00 H new ATOM 65 N PRO A 5 59.652 -6.247 15.414 1.00 1.00 N ATOM 66 CA PRO A 5 60.472 -6.467 14.186 1.00 1.00 C ATOM 67 C PRO A 5 60.020 -7.715 13.412 1.00 1.00 C ATOM 68 O PRO A 5 59.538 -8.668 13.992 1.00 1.00 O ATOM 69 CB PRO A 5 61.904 -6.644 14.715 1.00 1.00 C ATOM 70 CG PRO A 5 61.761 -6.983 16.163 1.00 1.00 C ATOM 71 CD PRO A 5 60.463 -6.329 16.638 1.00 1.00 C ATOM 0 HA PRO A 5 60.378 -5.640 13.483 1.00 1.00 H new ATOM 0 HB2 PRO A 5 62.425 -7.436 14.177 1.00 1.00 H new ATOM 0 HB3 PRO A 5 62.486 -5.732 14.582 1.00 1.00 H new ATOM 0 HG2 PRO A 5 61.726 -8.063 16.307 1.00 1.00 H new ATOM 0 HG3 PRO A 5 62.613 -6.613 16.734 1.00 1.00 H new ATOM 0 HD2 PRO A 5 59.971 -6.925 17.406 1.00 1.00 H new ATOM 0 HD3 PRO A 5 60.644 -5.343 17.067 1.00 1.00 H new ATOM 79 N PRO A 6 60.171 -7.709 12.110 1.00 1.00 N ATOM 80 CA PRO A 6 59.769 -8.859 11.248 1.00 1.00 C ATOM 81 C PRO A 6 60.722 -10.051 11.384 1.00 1.00 C ATOM 82 O PRO A 6 61.901 -9.891 11.629 1.00 1.00 O ATOM 83 CB PRO A 6 59.830 -8.284 9.830 1.00 1.00 C ATOM 84 CG PRO A 6 60.836 -7.184 9.904 1.00 1.00 C ATOM 85 CD PRO A 6 60.745 -6.608 11.319 1.00 1.00 C ATOM 0 HA PRO A 6 58.788 -9.247 11.522 1.00 1.00 H new ATOM 0 HB2 PRO A 6 60.128 -9.044 9.108 1.00 1.00 H new ATOM 0 HB3 PRO A 6 58.857 -7.909 9.514 1.00 1.00 H new ATOM 0 HG2 PRO A 6 61.839 -7.561 9.702 1.00 1.00 H new ATOM 0 HG3 PRO A 6 60.628 -6.417 9.158 1.00 1.00 H new ATOM 0 HD2 PRO A 6 61.725 -6.314 11.695 1.00 1.00 H new ATOM 0 HD3 PRO A 6 60.112 -5.721 11.350 1.00 1.00 H new ATOM 93 N LYS A 7 60.217 -11.246 11.222 1.00 1.00 N ATOM 94 CA LYS A 7 61.089 -12.451 11.336 1.00 1.00 C ATOM 95 C LYS A 7 61.516 -12.894 9.933 1.00 1.00 C ATOM 96 O LYS A 7 61.534 -12.111 9.005 1.00 1.00 O ATOM 97 CB LYS A 7 60.308 -13.581 12.021 1.00 1.00 C ATOM 98 CG LYS A 7 61.276 -14.484 12.788 1.00 1.00 C ATOM 99 CD LYS A 7 61.540 -13.890 14.173 1.00 1.00 C ATOM 100 CE LYS A 7 60.473 -14.385 15.152 1.00 1.00 C ATOM 101 NZ LYS A 7 60.553 -15.868 15.266 1.00 1.00 N ATOM 0 H LYS A 7 59.237 -11.439 11.015 1.00 1.00 H new ATOM 0 HA LYS A 7 61.973 -12.215 11.928 1.00 1.00 H new ATOM 0 HB2 LYS A 7 59.567 -13.163 12.703 1.00 1.00 H new ATOM 0 HB3 LYS A 7 59.764 -14.163 11.277 1.00 1.00 H new ATOM 0 HG2 LYS A 7 60.857 -15.486 12.884 1.00 1.00 H new ATOM 0 HG3 LYS A 7 62.212 -14.582 12.238 1.00 1.00 H new ATOM 0 HD2 LYS A 7 62.531 -14.180 14.522 1.00 1.00 H new ATOM 0 HD3 LYS A 7 61.525 -12.801 14.122 1.00 1.00 H new ATOM 0 HE2 LYS A 7 60.620 -13.926 16.130 1.00 1.00 H new ATOM 0 HE3 LYS A 7 59.482 -14.089 14.807 1.00 1.00 H new ATOM 0 HZ1 LYS A 7 60.311 -16.155 16.236 1.00 1.00 H new ATOM 0 HZ2 LYS A 7 59.885 -16.304 14.599 1.00 1.00 H new ATOM 0 HZ3 LYS A 7 61.519 -16.182 15.043 1.00 1.00 H new ATOM 115 N ALA A 8 61.858 -14.144 9.771 1.00 1.00 N ATOM 116 CA ALA A 8 62.280 -14.636 8.429 1.00 1.00 C ATOM 117 C ALA A 8 63.256 -13.638 7.798 1.00 1.00 C ATOM 118 O ALA A 8 64.326 -13.391 8.316 1.00 1.00 O ATOM 119 CB ALA A 8 61.051 -14.786 7.530 1.00 1.00 C ATOM 0 H ALA A 8 61.863 -14.846 10.511 1.00 1.00 H new ATOM 0 HA ALA A 8 62.772 -15.603 8.537 1.00 1.00 H new ATOM 0 HB1 ALA A 8 61.360 -15.146 6.549 1.00 1.00 H new ATOM 0 HB2 ALA A 8 60.358 -15.499 7.977 1.00 1.00 H new ATOM 0 HB3 ALA A 8 60.558 -13.820 7.424 1.00 1.00 H new ATOM 125 N GLU A 9 62.894 -13.064 6.683 1.00 1.00 N ATOM 126 CA GLU A 9 63.801 -12.084 6.021 1.00 1.00 C ATOM 127 C GLU A 9 63.113 -11.504 4.783 1.00 1.00 C ATOM 128 O GLU A 9 63.351 -10.376 4.400 1.00 1.00 O ATOM 129 CB GLU A 9 65.094 -12.788 5.604 1.00 1.00 C ATOM 130 CG GLU A 9 64.758 -14.139 4.970 1.00 1.00 C ATOM 131 CD GLU A 9 66.004 -14.706 4.286 1.00 1.00 C ATOM 132 OE1 GLU A 9 67.063 -14.121 4.448 1.00 1.00 O ATOM 133 OE2 GLU A 9 65.878 -15.716 3.612 1.00 1.00 O ATOM 0 H GLU A 9 62.010 -13.231 6.202 1.00 1.00 H new ATOM 0 HA GLU A 9 64.034 -11.278 6.717 1.00 1.00 H new ATOM 0 HB2 GLU A 9 65.645 -12.169 4.896 1.00 1.00 H new ATOM 0 HB3 GLU A 9 65.738 -12.932 6.471 1.00 1.00 H new ATOM 0 HG2 GLU A 9 64.402 -14.832 5.732 1.00 1.00 H new ATOM 0 HG3 GLU A 9 63.953 -14.022 4.244 1.00 1.00 H new ATOM 140 N CYS A 10 62.261 -12.267 4.152 1.00 1.00 N ATOM 141 CA CYS A 10 61.561 -11.760 2.937 1.00 1.00 C ATOM 142 C CYS A 10 60.271 -11.047 3.351 1.00 1.00 C ATOM 143 O CYS A 10 59.191 -11.402 2.924 1.00 1.00 O ATOM 144 CB CYS A 10 61.220 -12.934 2.017 1.00 1.00 C ATOM 145 SG CYS A 10 60.581 -14.310 3.004 1.00 1.00 S ATOM 0 H CYS A 10 62.020 -13.220 4.426 1.00 1.00 H new ATOM 0 HA CYS A 10 62.210 -11.061 2.410 1.00 1.00 H new ATOM 0 HB2 CYS A 10 60.479 -12.628 1.279 1.00 1.00 H new ATOM 0 HB3 CYS A 10 62.107 -13.248 1.467 1.00 1.00 H new ATOM 150 N ARG A 11 60.373 -10.041 4.178 1.00 1.00 N ATOM 151 CA ARG A 11 59.150 -9.307 4.613 1.00 1.00 C ATOM 152 C ARG A 11 58.911 -8.118 3.681 1.00 1.00 C ATOM 153 O ARG A 11 59.518 -7.076 3.821 1.00 1.00 O ATOM 154 CB ARG A 11 59.340 -8.802 6.048 1.00 1.00 C ATOM 155 CG ARG A 11 58.036 -8.181 6.554 1.00 1.00 C ATOM 156 CD ARG A 11 58.214 -6.669 6.701 1.00 1.00 C ATOM 157 NE ARG A 11 56.889 -6.035 6.952 1.00 1.00 N ATOM 158 CZ ARG A 11 56.088 -5.780 5.953 1.00 1.00 C ATOM 159 NH1 ARG A 11 56.448 -6.080 4.735 1.00 1.00 N ATOM 160 NH2 ARG A 11 54.928 -5.225 6.173 1.00 1.00 N ATOM 0 H ARG A 11 61.249 -9.696 4.570 1.00 1.00 H new ATOM 0 HA ARG A 11 58.291 -9.977 4.575 1.00 1.00 H new ATOM 0 HB2 ARG A 11 59.638 -9.626 6.697 1.00 1.00 H new ATOM 0 HB3 ARG A 11 60.142 -8.064 6.081 1.00 1.00 H new ATOM 0 HG2 ARG A 11 57.225 -8.396 5.859 1.00 1.00 H new ATOM 0 HG3 ARG A 11 57.760 -8.620 7.513 1.00 1.00 H new ATOM 0 HD2 ARG A 11 58.895 -6.451 7.523 1.00 1.00 H new ATOM 0 HD3 ARG A 11 58.662 -6.255 5.797 1.00 1.00 H new ATOM 0 HE ARG A 11 56.608 -5.800 7.904 1.00 1.00 H new ATOM 0 HH21 ARG A 11 54.647 -4.990 7.125 1.00 1.00 H new ATOM 0 HH22 ARG A 11 54.302 -5.026 5.393 1.00 1.00 H new ATOM 174 N SER A 12 58.029 -8.267 2.729 1.00 1.00 N ATOM 175 CA SER A 12 57.750 -7.146 1.787 1.00 1.00 C ATOM 176 C SER A 12 56.775 -7.622 0.706 1.00 1.00 C ATOM 177 O SER A 12 55.585 -7.718 0.930 1.00 1.00 O ATOM 178 CB SER A 12 59.057 -6.689 1.133 1.00 1.00 C ATOM 179 OG SER A 12 59.896 -7.817 0.924 1.00 1.00 O ATOM 0 H SER A 12 57.490 -9.117 2.563 1.00 1.00 H new ATOM 0 HA SER A 12 57.309 -6.312 2.333 1.00 1.00 H new ATOM 0 HB2 SER A 12 58.849 -6.195 0.184 1.00 1.00 H new ATOM 0 HB3 SER A 12 59.560 -5.960 1.768 1.00 1.00 H new ATOM 0 HG SER A 12 60.637 -7.797 1.565 1.00 1.00 H new ATOM 185 N ALA A 13 57.271 -7.919 -0.464 1.00 1.00 N ATOM 186 CA ALA A 13 56.373 -8.388 -1.556 1.00 1.00 C ATOM 187 C ALA A 13 57.217 -8.899 -2.726 1.00 1.00 C ATOM 188 O ALA A 13 57.862 -9.925 -2.636 1.00 1.00 O ATOM 189 CB ALA A 13 55.495 -7.227 -2.028 1.00 1.00 C ATOM 0 H ALA A 13 58.259 -7.857 -0.710 1.00 1.00 H new ATOM 0 HA ALA A 13 55.740 -9.194 -1.186 1.00 1.00 H new ATOM 0 HB1 ALA A 13 54.838 -7.569 -2.827 1.00 1.00 H new ATOM 0 HB2 ALA A 13 54.894 -6.863 -1.195 1.00 1.00 H new ATOM 0 HB3 ALA A 13 56.127 -6.420 -2.399 1.00 1.00 H new ATOM 195 N THR A 14 57.219 -8.192 -3.824 1.00 1.00 N ATOM 196 CA THR A 14 58.022 -8.638 -4.999 1.00 1.00 C ATOM 197 C THR A 14 58.410 -7.422 -5.842 1.00 1.00 C ATOM 198 O THR A 14 59.471 -7.380 -6.432 1.00 1.00 O ATOM 199 CB THR A 14 57.191 -9.603 -5.850 1.00 1.00 C ATOM 200 OG1 THR A 14 55.913 -9.034 -6.095 1.00 1.00 O ATOM 201 CG2 THR A 14 57.028 -10.931 -5.108 1.00 1.00 C ATOM 0 H THR A 14 56.699 -7.325 -3.958 1.00 1.00 H new ATOM 0 HA THR A 14 58.923 -9.143 -4.652 1.00 1.00 H new ATOM 0 HB THR A 14 57.698 -9.781 -6.799 1.00 1.00 H new ATOM 0 HG1 THR A 14 55.380 -9.649 -6.641 1.00 1.00 H new ATOM 0 HG21 THR A 14 56.436 -11.617 -5.715 1.00 1.00 H new ATOM 0 HG22 THR A 14 58.010 -11.366 -4.921 1.00 1.00 H new ATOM 0 HG23 THR A 14 56.522 -10.758 -4.159 1.00 1.00 H new ATOM 209 N ARG A 15 57.557 -6.434 -5.901 1.00 1.00 N ATOM 210 CA ARG A 15 57.870 -5.216 -6.704 1.00 1.00 C ATOM 211 C ARG A 15 58.178 -5.615 -8.150 1.00 1.00 C ATOM 212 O ARG A 15 58.508 -6.749 -8.435 1.00 1.00 O ATOM 213 CB ARG A 15 59.081 -4.498 -6.101 1.00 1.00 C ATOM 214 CG ARG A 15 59.445 -3.293 -6.971 1.00 1.00 C ATOM 215 CD ARG A 15 60.411 -2.385 -6.207 1.00 1.00 C ATOM 216 NE ARG A 15 61.111 -1.486 -7.168 1.00 1.00 N ATOM 217 CZ ARG A 15 60.453 -0.531 -7.766 1.00 1.00 C ATOM 218 NH1 ARG A 15 59.182 -0.363 -7.524 1.00 1.00 N ATOM 219 NH2 ARG A 15 61.066 0.256 -8.607 1.00 1.00 N ATOM 0 H ARG A 15 56.654 -6.418 -5.426 1.00 1.00 H new ATOM 0 HA ARG A 15 57.010 -4.547 -6.690 1.00 1.00 H new ATOM 0 HB2 ARG A 15 58.855 -4.172 -5.086 1.00 1.00 H new ATOM 0 HB3 ARG A 15 59.927 -5.182 -6.036 1.00 1.00 H new ATOM 0 HG2 ARG A 15 59.903 -3.628 -7.902 1.00 1.00 H new ATOM 0 HG3 ARG A 15 58.545 -2.740 -7.240 1.00 1.00 H new ATOM 0 HD2 ARG A 15 59.866 -1.794 -5.470 1.00 1.00 H new ATOM 0 HD3 ARG A 15 61.137 -2.986 -5.660 1.00 1.00 H new ATOM 0 HE ARG A 15 62.104 -1.617 -7.358 1.00 1.00 H new ATOM 0 HH11 ARG A 15 58.702 -0.978 -6.867 1.00 1.00 H new ATOM 0 HH12 ARG A 15 58.668 0.384 -7.992 1.00 1.00 H new ATOM 0 HH21 ARG A 15 62.060 0.125 -8.797 1.00 1.00 H new ATOM 0 HH22 ARG A 15 60.552 1.003 -9.075 1.00 1.00 H new ATOM 233 N VAL A 16 58.070 -4.690 -9.066 1.00 1.00 N ATOM 234 CA VAL A 16 58.355 -5.012 -10.494 1.00 1.00 C ATOM 235 C VAL A 16 59.800 -4.633 -10.823 1.00 1.00 C ATOM 236 O VAL A 16 60.060 -3.626 -11.452 1.00 1.00 O ATOM 237 CB VAL A 16 57.404 -4.221 -11.393 1.00 1.00 C ATOM 238 CG1 VAL A 16 57.504 -4.743 -12.828 1.00 1.00 C ATOM 239 CG2 VAL A 16 55.969 -4.390 -10.889 1.00 1.00 C ATOM 0 H VAL A 16 57.796 -3.724 -8.886 1.00 1.00 H new ATOM 0 HA VAL A 16 58.212 -6.079 -10.662 1.00 1.00 H new ATOM 0 HB VAL A 16 57.677 -3.166 -11.371 1.00 1.00 H new ATOM 0 HG11 VAL A 16 56.826 -4.179 -13.468 1.00 1.00 H new ATOM 0 HG12 VAL A 16 58.526 -4.624 -13.188 1.00 1.00 H new ATOM 0 HG13 VAL A 16 57.231 -5.798 -12.851 1.00 1.00 H new ATOM 0 HG21 VAL A 16 55.290 -3.827 -11.529 1.00 1.00 H new ATOM 0 HG22 VAL A 16 55.697 -5.445 -10.912 1.00 1.00 H new ATOM 0 HG23 VAL A 16 55.896 -4.019 -9.867 1.00 1.00 H new ATOM 249 N MET A 17 60.743 -5.431 -10.402 1.00 1.00 N ATOM 250 CA MET A 17 62.170 -5.114 -10.690 1.00 1.00 C ATOM 251 C MET A 17 62.503 -5.517 -12.127 1.00 1.00 C ATOM 252 O MET A 17 62.609 -6.686 -12.444 1.00 1.00 O ATOM 253 CB MET A 17 63.070 -5.886 -9.723 1.00 1.00 C ATOM 254 CG MET A 17 64.537 -5.633 -10.077 1.00 1.00 C ATOM 255 SD MET A 17 65.592 -6.202 -8.721 1.00 1.00 S ATOM 256 CE MET A 17 67.113 -5.380 -9.257 1.00 1.00 C ATOM 0 H MET A 17 60.587 -6.288 -9.871 1.00 1.00 H new ATOM 0 HA MET A 17 62.336 -4.044 -10.565 1.00 1.00 H new ATOM 0 HB2 MET A 17 62.873 -5.573 -8.698 1.00 1.00 H new ATOM 0 HB3 MET A 17 62.850 -6.952 -9.778 1.00 1.00 H new ATOM 0 HG2 MET A 17 64.796 -6.157 -10.997 1.00 1.00 H new ATOM 0 HG3 MET A 17 64.700 -4.571 -10.258 1.00 1.00 H new ATOM 0 HE1 MET A 17 67.913 -5.599 -8.550 1.00 1.00 H new ATOM 0 HE2 MET A 17 67.393 -5.742 -10.246 1.00 1.00 H new ATOM 0 HE3 MET A 17 66.950 -4.303 -9.298 1.00 1.00 H new ATOM 266 N GLY A 18 62.671 -4.558 -12.999 1.00 1.00 N ATOM 267 CA GLY A 18 63.000 -4.877 -14.421 1.00 1.00 C ATOM 268 C GLY A 18 61.963 -4.234 -15.343 1.00 1.00 C ATOM 269 O GLY A 18 61.308 -3.276 -14.983 1.00 1.00 O ATOM 0 H GLY A 18 62.594 -3.563 -12.787 1.00 1.00 H new ATOM 0 HA2 GLY A 18 63.997 -4.510 -14.666 1.00 1.00 H new ATOM 0 HA3 GLY A 18 63.013 -5.957 -14.569 1.00 1.00 H new ATOM 273 N GLY A 19 61.809 -4.752 -16.530 1.00 1.00 N ATOM 274 CA GLY A 19 60.815 -4.169 -17.475 1.00 1.00 C ATOM 275 C GLY A 19 61.194 -2.713 -17.780 1.00 1.00 C ATOM 276 O GLY A 19 62.233 -2.453 -18.352 1.00 1.00 O ATOM 0 H GLY A 19 62.329 -5.554 -16.887 1.00 1.00 H new ATOM 0 HA2 GLY A 19 60.789 -4.750 -18.397 1.00 1.00 H new ATOM 0 HA3 GLY A 19 59.816 -4.213 -17.042 1.00 1.00 H new ATOM 280 N PRO A 20 60.367 -1.765 -17.405 1.00 1.00 N ATOM 281 CA PRO A 20 60.645 -0.322 -17.653 1.00 1.00 C ATOM 282 C PRO A 20 62.099 0.056 -17.344 1.00 1.00 C ATOM 283 O PRO A 20 62.688 0.883 -18.011 1.00 1.00 O ATOM 284 CB PRO A 20 59.691 0.397 -16.698 1.00 1.00 C ATOM 285 CG PRO A 20 58.538 -0.538 -16.528 1.00 1.00 C ATOM 286 CD PRO A 20 59.085 -1.959 -16.707 1.00 1.00 C ATOM 0 HA PRO A 20 60.500 -0.056 -18.700 1.00 1.00 H new ATOM 0 HB2 PRO A 20 60.173 0.608 -15.743 1.00 1.00 H new ATOM 0 HB3 PRO A 20 59.367 1.353 -17.109 1.00 1.00 H new ATOM 0 HG2 PRO A 20 58.087 -0.419 -15.543 1.00 1.00 H new ATOM 0 HG3 PRO A 20 57.760 -0.329 -17.262 1.00 1.00 H new ATOM 0 HD2 PRO A 20 59.225 -2.456 -15.747 1.00 1.00 H new ATOM 0 HD3 PRO A 20 58.403 -2.578 -17.290 1.00 1.00 H new ATOM 294 N CYS A 21 62.679 -0.534 -16.334 1.00 1.00 N ATOM 295 CA CYS A 21 64.088 -0.197 -15.985 1.00 1.00 C ATOM 296 C CYS A 21 65.043 -0.969 -16.900 1.00 1.00 C ATOM 297 O CYS A 21 64.670 -1.940 -17.528 1.00 1.00 O ATOM 298 CB CYS A 21 64.357 -0.578 -14.527 1.00 1.00 C ATOM 299 SG CYS A 21 63.881 0.793 -13.446 1.00 1.00 S ATOM 0 H CYS A 21 62.239 -1.234 -15.737 1.00 1.00 H new ATOM 0 HA CYS A 21 64.248 0.873 -16.117 1.00 1.00 H new ATOM 0 HB2 CYS A 21 63.794 -1.474 -14.265 1.00 1.00 H new ATOM 0 HB3 CYS A 21 65.413 -0.813 -14.390 1.00 1.00 H new ATOM 304 N THR A 22 66.278 -0.545 -16.970 1.00 1.00 N ATOM 305 CA THR A 22 67.272 -1.250 -17.834 1.00 1.00 C ATOM 306 C THR A 22 68.639 -1.240 -17.136 1.00 1.00 C ATOM 307 O THR A 22 68.977 -0.299 -16.445 1.00 1.00 O ATOM 308 CB THR A 22 67.388 -0.525 -19.179 1.00 1.00 C ATOM 309 OG1 THR A 22 67.412 0.878 -18.958 1.00 1.00 O ATOM 310 CG2 THR A 22 66.190 -0.885 -20.060 1.00 1.00 C ATOM 0 H THR A 22 66.643 0.262 -16.464 1.00 1.00 H new ATOM 0 HA THR A 22 66.947 -2.277 -18.002 1.00 1.00 H new ATOM 0 HB THR A 22 68.307 -0.830 -19.679 1.00 1.00 H new ATOM 0 HG1 THR A 22 67.488 1.343 -19.817 1.00 1.00 H new ATOM 0 HG21 THR A 22 66.274 -0.369 -21.016 1.00 1.00 H new ATOM 0 HG22 THR A 22 66.173 -1.962 -20.229 1.00 1.00 H new ATOM 0 HG23 THR A 22 65.269 -0.581 -19.563 1.00 1.00 H new ATOM 318 N PRO A 23 69.422 -2.274 -17.315 1.00 1.00 N ATOM 319 CA PRO A 23 70.775 -2.373 -16.691 1.00 1.00 C ATOM 320 C PRO A 23 71.775 -1.409 -17.337 1.00 1.00 C ATOM 321 O PRO A 23 72.613 -1.804 -18.122 1.00 1.00 O ATOM 322 CB PRO A 23 71.185 -3.828 -16.942 1.00 1.00 C ATOM 323 CG PRO A 23 70.420 -4.245 -18.154 1.00 1.00 C ATOM 324 CD PRO A 23 69.108 -3.457 -18.132 1.00 1.00 C ATOM 0 HA PRO A 23 70.760 -2.106 -15.634 1.00 1.00 H new ATOM 0 HB2 PRO A 23 72.259 -3.912 -17.106 1.00 1.00 H new ATOM 0 HB3 PRO A 23 70.943 -4.459 -16.087 1.00 1.00 H new ATOM 0 HG2 PRO A 23 70.985 -4.032 -19.062 1.00 1.00 H new ATOM 0 HG3 PRO A 23 70.228 -5.318 -18.142 1.00 1.00 H new ATOM 0 HD2 PRO A 23 68.793 -3.177 -19.137 1.00 1.00 H new ATOM 0 HD3 PRO A 23 68.298 -4.041 -17.695 1.00 1.00 H new ATOM 332 N ARG A 24 71.687 -0.146 -17.015 1.00 1.00 N ATOM 333 CA ARG A 24 72.625 0.849 -17.610 1.00 1.00 C ATOM 334 C ARG A 24 72.223 2.253 -17.141 1.00 1.00 C ATOM 335 O ARG A 24 71.205 2.434 -16.503 1.00 1.00 O ATOM 336 CB ARG A 24 72.546 0.769 -19.145 1.00 1.00 C ATOM 337 CG ARG A 24 73.871 0.245 -19.702 1.00 1.00 C ATOM 338 CD ARG A 24 73.657 -0.276 -21.124 1.00 1.00 C ATOM 339 NE ARG A 24 74.870 -1.018 -21.569 1.00 1.00 N ATOM 340 CZ ARG A 24 74.772 -1.937 -22.491 1.00 1.00 C ATOM 341 NH1 ARG A 24 73.611 -2.205 -23.024 1.00 1.00 N ATOM 342 NH2 ARG A 24 75.834 -2.587 -22.880 1.00 1.00 N ATOM 0 H ARG A 24 71.004 0.240 -16.364 1.00 1.00 H new ATOM 0 HA ARG A 24 73.646 0.637 -17.293 1.00 1.00 H new ATOM 0 HB2 ARG A 24 71.729 0.111 -19.443 1.00 1.00 H new ATOM 0 HB3 ARG A 24 72.330 1.754 -19.560 1.00 1.00 H new ATOM 0 HG2 ARG A 24 74.617 1.040 -19.703 1.00 1.00 H new ATOM 0 HG3 ARG A 24 74.255 -0.552 -19.065 1.00 1.00 H new ATOM 0 HD2 ARG A 24 72.786 -0.930 -21.156 1.00 1.00 H new ATOM 0 HD3 ARG A 24 73.457 0.555 -21.801 1.00 1.00 H new ATOM 0 HE ARG A 24 75.777 -0.808 -21.153 1.00 1.00 H new ATOM 0 HH11 ARG A 24 72.781 -1.696 -22.720 1.00 1.00 H new ATOM 0 HH12 ARG A 24 73.534 -2.923 -23.744 1.00 1.00 H new ATOM 0 HH21 ARG A 24 76.741 -2.377 -22.464 1.00 1.00 H new ATOM 0 HH22 ARG A 24 75.757 -3.305 -23.600 1.00 1.00 H new ATOM 356 N LYS A 25 73.016 3.245 -17.454 1.00 1.00 N ATOM 357 CA LYS A 25 72.684 4.639 -17.028 1.00 1.00 C ATOM 358 C LYS A 25 72.362 5.486 -18.260 1.00 1.00 C ATOM 359 O LYS A 25 72.994 5.366 -19.291 1.00 1.00 O ATOM 360 CB LYS A 25 73.884 5.247 -16.298 1.00 1.00 C ATOM 361 CG LYS A 25 74.296 4.335 -15.141 1.00 1.00 C ATOM 362 CD LYS A 25 73.212 4.357 -14.062 1.00 1.00 C ATOM 363 CE LYS A 25 73.803 3.882 -12.733 1.00 1.00 C ATOM 364 NZ LYS A 25 74.801 4.877 -12.250 1.00 1.00 N ATOM 0 H LYS A 25 73.881 3.150 -17.987 1.00 1.00 H new ATOM 0 HA LYS A 25 71.821 4.619 -16.362 1.00 1.00 H new ATOM 0 HB2 LYS A 25 74.717 5.373 -16.989 1.00 1.00 H new ATOM 0 HB3 LYS A 25 73.630 6.238 -15.921 1.00 1.00 H new ATOM 0 HG2 LYS A 25 74.444 3.317 -15.502 1.00 1.00 H new ATOM 0 HG3 LYS A 25 75.246 4.667 -14.723 1.00 1.00 H new ATOM 0 HD2 LYS A 25 72.812 5.365 -13.954 1.00 1.00 H new ATOM 0 HD3 LYS A 25 72.381 3.714 -14.353 1.00 1.00 H new ATOM 0 HE2 LYS A 25 73.011 3.757 -11.994 1.00 1.00 H new ATOM 0 HE3 LYS A 25 74.276 2.908 -12.860 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 74.863 4.831 -11.213 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 75.732 4.664 -12.663 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 74.506 5.832 -12.537 1.00 1.00 H new ATOM 378 N GLY A 26 71.384 6.346 -18.161 1.00 1.00 N ATOM 379 CA GLY A 26 71.022 7.206 -19.324 1.00 1.00 C ATOM 380 C GLY A 26 71.784 8.530 -19.232 1.00 1.00 C ATOM 381 O GLY A 26 72.721 8.769 -19.968 1.00 1.00 O ATOM 0 H GLY A 26 70.820 6.490 -17.324 1.00 1.00 H new ATOM 0 HA2 GLY A 26 71.266 6.697 -20.257 1.00 1.00 H new ATOM 0 HA3 GLY A 26 69.948 7.391 -19.333 1.00 1.00 H new ATOM 385 N PRO A 27 71.382 9.384 -18.328 1.00 1.00 N ATOM 386 CA PRO A 27 72.034 10.710 -18.124 1.00 1.00 C ATOM 387 C PRO A 27 73.423 10.574 -17.485 1.00 1.00 C ATOM 388 O PRO A 27 73.749 9.553 -16.913 1.00 1.00 O ATOM 389 CB PRO A 27 71.074 11.447 -17.183 1.00 1.00 C ATOM 390 CG PRO A 27 70.338 10.374 -16.452 1.00 1.00 C ATOM 391 CD PRO A 27 70.260 9.175 -17.399 1.00 1.00 C ATOM 0 HA PRO A 27 72.201 11.234 -19.065 1.00 1.00 H new ATOM 0 HB2 PRO A 27 71.618 12.092 -16.492 1.00 1.00 H new ATOM 0 HB3 PRO A 27 70.388 12.084 -17.741 1.00 1.00 H new ATOM 0 HG2 PRO A 27 70.856 10.107 -15.531 1.00 1.00 H new ATOM 0 HG3 PRO A 27 69.340 10.711 -16.170 1.00 1.00 H new ATOM 0 HD2 PRO A 27 70.358 8.233 -16.860 1.00 1.00 H new ATOM 0 HD3 PRO A 27 69.306 9.143 -17.925 1.00 1.00 H new ATOM 399 N PRO A 28 74.232 11.597 -17.582 1.00 1.00 N ATOM 400 CA PRO A 28 75.605 11.594 -17.004 1.00 1.00 C ATOM 401 C PRO A 28 75.651 10.942 -15.617 1.00 1.00 C ATOM 402 O PRO A 28 74.639 10.770 -14.967 1.00 1.00 O ATOM 403 CB PRO A 28 75.953 13.079 -16.913 1.00 1.00 C ATOM 404 CG PRO A 28 75.177 13.730 -18.011 1.00 1.00 C ATOM 405 CD PRO A 28 73.929 12.873 -18.251 1.00 1.00 C ATOM 0 HA PRO A 28 76.303 11.017 -17.610 1.00 1.00 H new ATOM 0 HB2 PRO A 28 75.680 13.489 -15.941 1.00 1.00 H new ATOM 0 HB3 PRO A 28 77.024 13.241 -17.038 1.00 1.00 H new ATOM 0 HG2 PRO A 28 74.898 14.747 -17.735 1.00 1.00 H new ATOM 0 HG3 PRO A 28 75.777 13.799 -18.918 1.00 1.00 H new ATOM 0 HD2 PRO A 28 73.038 13.341 -17.832 1.00 1.00 H new ATOM 0 HD3 PRO A 28 73.743 12.730 -19.315 1.00 1.00 H new ATOM 413 N LYS A 29 76.819 10.582 -15.160 1.00 1.00 N ATOM 414 CA LYS A 29 76.929 9.947 -13.816 1.00 1.00 C ATOM 415 C LYS A 29 76.749 11.015 -12.736 1.00 1.00 C ATOM 416 O LYS A 29 76.283 10.736 -11.652 1.00 1.00 O ATOM 417 CB LYS A 29 78.307 9.298 -13.670 1.00 1.00 C ATOM 418 CG LYS A 29 78.302 8.353 -12.467 1.00 1.00 C ATOM 419 CD LYS A 29 79.739 7.950 -12.128 1.00 1.00 C ATOM 420 CE LYS A 29 79.722 6.772 -11.152 1.00 1.00 C ATOM 421 NZ LYS A 29 81.103 6.522 -10.651 1.00 1.00 N ATOM 0 H LYS A 29 77.701 10.700 -15.658 1.00 1.00 H new ATOM 0 HA LYS A 29 76.157 9.185 -13.707 1.00 1.00 H new ATOM 0 HB2 LYS A 29 78.559 8.748 -14.577 1.00 1.00 H new ATOM 0 HB3 LYS A 29 79.070 10.065 -13.540 1.00 1.00 H new ATOM 0 HG2 LYS A 29 77.838 8.841 -11.610 1.00 1.00 H new ATOM 0 HG3 LYS A 29 77.707 7.467 -12.690 1.00 1.00 H new ATOM 0 HD2 LYS A 29 80.275 7.675 -13.037 1.00 1.00 H new ATOM 0 HD3 LYS A 29 80.270 8.794 -11.687 1.00 1.00 H new ATOM 0 HE2 LYS A 29 79.054 6.987 -10.318 1.00 1.00 H new ATOM 0 HE3 LYS A 29 79.337 5.881 -11.647 1.00 1.00 H new ATOM 0 HZ1 LYS A 29 81.092 5.721 -9.987 1.00 1.00 H new ATOM 0 HZ2 LYS A 29 81.728 6.299 -11.452 1.00 1.00 H new ATOM 0 HZ3 LYS A 29 81.454 7.371 -10.163 1.00 1.00 H new ATOM 435 N CYS A 30 77.116 12.236 -13.037 1.00 1.00 N ATOM 436 CA CYS A 30 76.976 13.348 -12.050 1.00 1.00 C ATOM 437 C CYS A 30 77.349 12.858 -10.647 1.00 1.00 C ATOM 438 O CYS A 30 76.612 12.131 -10.012 1.00 1.00 O ATOM 439 CB CYS A 30 75.532 13.860 -12.052 1.00 1.00 C ATOM 440 SG CYS A 30 74.433 12.577 -11.402 1.00 1.00 S ATOM 0 H CYS A 30 77.511 12.511 -13.936 1.00 1.00 H new ATOM 0 HA CYS A 30 77.648 14.159 -12.331 1.00 1.00 H new ATOM 0 HB2 CYS A 30 75.454 14.762 -11.445 1.00 1.00 H new ATOM 0 HB3 CYS A 30 75.233 14.131 -13.065 1.00 1.00 H new ATOM 445 N LYS A 31 78.488 13.260 -10.152 1.00 1.00 N ATOM 446 CA LYS A 31 78.903 12.825 -8.788 1.00 1.00 C ATOM 447 C LYS A 31 79.743 13.923 -8.135 1.00 1.00 C ATOM 448 O LYS A 31 79.959 13.922 -6.940 1.00 1.00 O ATOM 449 CB LYS A 31 79.717 11.527 -8.876 1.00 1.00 C ATOM 450 CG LYS A 31 80.731 11.629 -10.017 1.00 1.00 C ATOM 451 CD LYS A 31 81.916 12.490 -9.572 1.00 1.00 C ATOM 452 CE LYS A 31 83.214 11.893 -10.118 1.00 1.00 C ATOM 453 NZ LYS A 31 84.314 12.890 -9.982 1.00 1.00 N ATOM 0 H LYS A 31 79.149 13.870 -10.633 1.00 1.00 H new ATOM 0 HA LYS A 31 78.014 12.643 -8.183 1.00 1.00 H new ATOM 0 HB2 LYS A 31 80.233 11.346 -7.933 1.00 1.00 H new ATOM 0 HB3 LYS A 31 79.052 10.680 -9.043 1.00 1.00 H new ATOM 0 HG2 LYS A 31 81.076 10.635 -10.301 1.00 1.00 H new ATOM 0 HG3 LYS A 31 80.261 12.066 -10.898 1.00 1.00 H new ATOM 0 HD2 LYS A 31 81.793 13.511 -9.933 1.00 1.00 H new ATOM 0 HD3 LYS A 31 81.955 12.539 -8.484 1.00 1.00 H new ATOM 0 HE2 LYS A 31 83.465 10.982 -9.575 1.00 1.00 H new ATOM 0 HE3 LYS A 31 83.087 11.615 -11.164 1.00 1.00 H new ATOM 0 HZ1 LYS A 31 85.197 12.485 -10.353 1.00 1.00 H new ATOM 0 HZ2 LYS A 31 84.074 13.747 -10.519 1.00 1.00 H new ATOM 0 HZ3 LYS A 31 84.439 13.134 -8.979 1.00 1.00 H new ATOM 467 N GLN A 32 80.207 14.866 -8.912 1.00 1.00 N ATOM 468 CA GLN A 32 81.029 15.981 -8.348 1.00 1.00 C ATOM 469 C GLN A 32 81.919 15.458 -7.218 1.00 1.00 C ATOM 470 O GLN A 32 82.932 14.827 -7.448 1.00 1.00 O ATOM 471 CB GLN A 32 80.102 17.066 -7.797 1.00 1.00 C ATOM 472 CG GLN A 32 79.350 17.732 -8.951 1.00 1.00 C ATOM 473 CD GLN A 32 78.245 18.629 -8.391 1.00 1.00 C ATOM 474 OE1 GLN A 32 77.466 19.190 -9.136 1.00 1.00 O ATOM 475 NE2 GLN A 32 78.144 18.790 -7.100 1.00 1.00 N ATOM 0 H GLN A 32 80.052 14.913 -9.919 1.00 1.00 H new ATOM 0 HA GLN A 32 81.657 16.394 -9.137 1.00 1.00 H new ATOM 0 HB2 GLN A 32 79.394 16.630 -7.092 1.00 1.00 H new ATOM 0 HB3 GLN A 32 80.681 17.810 -7.249 1.00 1.00 H new ATOM 0 HG2 GLN A 32 80.039 18.321 -9.556 1.00 1.00 H new ATOM 0 HG3 GLN A 32 78.920 16.973 -9.605 1.00 1.00 H new ATOM 0 HE21 GLN A 32 78.798 18.319 -6.475 1.00 1.00 H new ATOM 0 HE22 GLN A 32 77.411 19.387 -6.716 1.00 1.00 H new ATOM 484 N ARG A 33 81.541 15.717 -5.996 1.00 1.00 N ATOM 485 CA ARG A 33 82.350 15.240 -4.838 1.00 1.00 C ATOM 486 C ARG A 33 81.413 14.934 -3.666 1.00 1.00 C ATOM 487 O ARG A 33 80.218 15.137 -3.749 1.00 1.00 O ATOM 488 CB ARG A 33 83.363 16.322 -4.429 1.00 1.00 C ATOM 489 CG ARG A 33 82.835 17.699 -4.836 1.00 1.00 C ATOM 490 CD ARG A 33 81.551 18.003 -4.062 1.00 1.00 C ATOM 491 NE ARG A 33 81.128 19.406 -4.333 1.00 1.00 N ATOM 492 CZ ARG A 33 80.366 20.034 -3.480 1.00 1.00 C ATOM 493 NH1 ARG A 33 79.974 19.434 -2.390 1.00 1.00 N ATOM 494 NH2 ARG A 33 79.996 21.263 -3.718 1.00 1.00 N ATOM 0 H ARG A 33 80.702 16.241 -5.749 1.00 1.00 H new ATOM 0 HA ARG A 33 82.893 14.337 -5.117 1.00 1.00 H new ATOM 0 HB2 ARG A 33 83.531 16.289 -3.352 1.00 1.00 H new ATOM 0 HB3 ARG A 33 84.324 16.134 -4.907 1.00 1.00 H new ATOM 0 HG2 ARG A 33 83.585 18.463 -4.631 1.00 1.00 H new ATOM 0 HG3 ARG A 33 82.640 17.723 -5.908 1.00 1.00 H new ATOM 0 HD2 ARG A 33 80.763 17.311 -4.358 1.00 1.00 H new ATOM 0 HD3 ARG A 33 81.715 17.861 -2.994 1.00 1.00 H new ATOM 0 HE ARG A 33 81.434 19.875 -5.185 1.00 1.00 H new ATOM 0 HH11 ARG A 33 80.263 18.474 -2.204 1.00 1.00 H new ATOM 0 HH12 ARG A 33 79.378 19.925 -1.723 1.00 1.00 H new ATOM 0 HH21 ARG A 33 80.303 21.732 -4.570 1.00 1.00 H new ATOM 0 HH22 ARG A 33 79.400 21.754 -3.052 1.00 1.00 H new ATOM 508 N GLN A 34 81.945 14.443 -2.578 1.00 1.00 N ATOM 509 CA GLN A 34 81.084 14.119 -1.401 1.00 1.00 C ATOM 510 C GLN A 34 81.733 14.661 -0.127 1.00 1.00 C ATOM 511 O GLN A 34 82.065 13.919 0.777 1.00 1.00 O ATOM 512 CB GLN A 34 80.930 12.601 -1.288 1.00 1.00 C ATOM 513 CG GLN A 34 80.185 12.070 -2.514 1.00 1.00 C ATOM 514 CD GLN A 34 79.983 10.560 -2.376 1.00 1.00 C ATOM 515 OE1 GLN A 34 80.922 9.797 -2.491 1.00 1.00 O ATOM 516 NE2 GLN A 34 78.789 10.093 -2.132 1.00 1.00 N ATOM 0 H GLN A 34 82.939 14.252 -2.453 1.00 1.00 H new ATOM 0 HA GLN A 34 80.104 14.577 -1.531 1.00 1.00 H new ATOM 0 HB2 GLN A 34 81.910 12.130 -1.213 1.00 1.00 H new ATOM 0 HB3 GLN A 34 80.384 12.347 -0.379 1.00 1.00 H new ATOM 0 HG2 GLN A 34 79.221 12.569 -2.611 1.00 1.00 H new ATOM 0 HG3 GLN A 34 80.750 12.290 -3.420 1.00 1.00 H new ATOM 0 HE21 GLN A 34 78.001 10.733 -2.035 1.00 1.00 H new ATOM 0 HE22 GLN A 34 78.644 9.088 -2.038 1.00 1.00 H new ATOM 525 N THR A 35 81.915 15.950 -0.047 1.00 1.00 N ATOM 526 CA THR A 35 82.541 16.540 1.170 1.00 1.00 C ATOM 527 C THR A 35 83.911 15.899 1.403 1.00 1.00 C ATOM 528 O THR A 35 84.584 16.188 2.372 1.00 1.00 O ATOM 529 CB THR A 35 81.639 16.280 2.382 1.00 1.00 C ATOM 530 OG1 THR A 35 80.278 16.367 1.984 1.00 1.00 O ATOM 531 CG2 THR A 35 81.924 17.321 3.466 1.00 1.00 C ATOM 0 H THR A 35 81.657 16.620 -0.771 1.00 1.00 H new ATOM 0 HA THR A 35 82.665 17.614 1.032 1.00 1.00 H new ATOM 0 HB THR A 35 81.839 15.284 2.778 1.00 1.00 H new ATOM 0 HG1 THR A 35 79.700 16.199 2.757 1.00 1.00 H new ATOM 0 HG21 THR A 35 81.282 17.135 4.327 1.00 1.00 H new ATOM 0 HG22 THR A 35 82.968 17.253 3.771 1.00 1.00 H new ATOM 0 HG23 THR A 35 81.725 18.318 3.074 1.00 1.00 H new ATOM 539 N ARG A 36 84.328 15.030 0.524 1.00 1.00 N ATOM 540 CA ARG A 36 85.653 14.372 0.700 1.00 1.00 C ATOM 541 C ARG A 36 85.768 13.833 2.127 1.00 1.00 C ATOM 542 O ARG A 36 86.829 13.834 2.718 1.00 1.00 O ATOM 543 CB ARG A 36 86.765 15.392 0.446 1.00 1.00 C ATOM 544 CG ARG A 36 86.446 16.189 -0.821 1.00 1.00 C ATOM 545 CD ARG A 36 87.659 17.036 -1.210 1.00 1.00 C ATOM 546 NE ARG A 36 87.243 18.078 -2.191 1.00 1.00 N ATOM 547 CZ ARG A 36 87.072 17.762 -3.446 1.00 1.00 C ATOM 548 NH1 ARG A 36 87.266 16.533 -3.841 1.00 1.00 N ATOM 549 NH2 ARG A 36 86.708 18.674 -4.304 1.00 1.00 N ATOM 0 H ARG A 36 83.809 14.747 -0.308 1.00 1.00 H new ATOM 0 HA ARG A 36 85.748 13.548 -0.007 1.00 1.00 H new ATOM 0 HB2 ARG A 36 86.857 16.065 1.298 1.00 1.00 H new ATOM 0 HB3 ARG A 36 87.722 14.883 0.337 1.00 1.00 H new ATOM 0 HG2 ARG A 36 86.187 15.511 -1.634 1.00 1.00 H new ATOM 0 HG3 ARG A 36 85.581 16.830 -0.652 1.00 1.00 H new ATOM 0 HD2 ARG A 36 88.087 17.505 -0.324 1.00 1.00 H new ATOM 0 HD3 ARG A 36 88.434 16.403 -1.642 1.00 1.00 H new ATOM 0 HE ARG A 36 87.092 19.038 -1.882 1.00 1.00 H new ATOM 0 HH11 ARG A 36 87.551 15.820 -3.169 1.00 1.00 H new ATOM 0 HH12 ARG A 36 87.133 16.285 -4.821 1.00 1.00 H new ATOM 0 HH21 ARG A 36 86.557 19.634 -3.994 1.00 1.00 H new ATOM 0 HH22 ARG A 36 86.574 18.427 -5.285 1.00 1.00 H new ATOM 563 N GLN A 37 84.681 13.374 2.686 1.00 1.00 N ATOM 564 CA GLN A 37 84.725 12.837 4.075 1.00 1.00 C ATOM 565 C GLN A 37 85.213 11.387 4.046 1.00 1.00 C ATOM 566 O GLN A 37 84.548 10.489 4.522 1.00 1.00 O ATOM 567 CB GLN A 37 83.321 12.893 4.688 1.00 1.00 C ATOM 568 CG GLN A 37 83.375 12.434 6.146 1.00 1.00 C ATOM 569 CD GLN A 37 82.729 11.053 6.272 1.00 1.00 C ATOM 570 OE1 GLN A 37 81.604 10.856 5.858 1.00 1.00 O ATOM 571 NE2 GLN A 37 83.399 10.081 6.829 1.00 1.00 N ATOM 0 H GLN A 37 83.764 13.348 2.240 1.00 1.00 H new ATOM 0 HA GLN A 37 85.408 13.437 4.676 1.00 1.00 H new ATOM 0 HB2 GLN A 37 82.929 13.909 4.631 1.00 1.00 H new ATOM 0 HB3 GLN A 37 82.641 12.257 4.122 1.00 1.00 H new ATOM 0 HG2 GLN A 37 84.409 12.396 6.488 1.00 1.00 H new ATOM 0 HG3 GLN A 37 82.855 13.150 6.783 1.00 1.00 H new ATOM 0 HE21 GLN A 37 84.344 10.246 7.177 1.00 1.00 H new ATOM 0 HE22 GLN A 37 82.978 9.156 6.917 1.00 1.00 H new ATOM 580 N CYS A 38 86.373 11.155 3.491 1.00 1.00 N ATOM 581 CA CYS A 38 86.914 9.767 3.427 1.00 1.00 C ATOM 582 C CYS A 38 88.401 9.787 3.787 1.00 1.00 C ATOM 583 O CYS A 38 88.858 10.651 4.509 1.00 1.00 O ATOM 584 CB CYS A 38 86.736 9.213 2.009 1.00 1.00 C ATOM 585 SG CYS A 38 85.392 10.099 1.181 1.00 1.00 S ATOM 0 H CYS A 38 86.971 11.871 3.078 1.00 1.00 H new ATOM 0 HA CYS A 38 86.377 9.132 4.132 1.00 1.00 H new ATOM 0 HB2 CYS A 38 87.662 9.324 1.444 1.00 1.00 H new ATOM 0 HB3 CYS A 38 86.513 8.147 2.049 1.00 1.00 H new ATOM 590 N LYS A 39 89.153 8.840 3.283 1.00 1.00 N ATOM 591 CA LYS A 39 90.621 8.777 3.575 1.00 1.00 C ATOM 592 C LYS A 39 90.913 9.290 4.990 1.00 1.00 C ATOM 593 O LYS A 39 91.994 9.764 5.276 1.00 1.00 O ATOM 594 CB LYS A 39 91.387 9.625 2.555 1.00 1.00 C ATOM 595 CG LYS A 39 90.686 10.973 2.377 1.00 1.00 C ATOM 596 CD LYS A 39 91.594 11.922 1.593 1.00 1.00 C ATOM 597 CE LYS A 39 90.746 13.005 0.924 1.00 1.00 C ATOM 598 NZ LYS A 39 89.595 13.350 1.806 1.00 1.00 N ATOM 0 H LYS A 39 88.809 8.098 2.674 1.00 1.00 H new ATOM 0 HA LYS A 39 90.944 7.738 3.506 1.00 1.00 H new ATOM 0 HB2 LYS A 39 92.412 9.779 2.892 1.00 1.00 H new ATOM 0 HB3 LYS A 39 91.440 9.103 1.600 1.00 1.00 H new ATOM 0 HG2 LYS A 39 89.742 10.837 1.849 1.00 1.00 H new ATOM 0 HG3 LYS A 39 90.448 11.402 3.350 1.00 1.00 H new ATOM 0 HD2 LYS A 39 92.324 12.378 2.261 1.00 1.00 H new ATOM 0 HD3 LYS A 39 92.154 11.367 0.840 1.00 1.00 H new ATOM 0 HE2 LYS A 39 91.352 13.891 0.735 1.00 1.00 H new ATOM 0 HE3 LYS A 39 90.385 12.654 -0.043 1.00 1.00 H new ATOM 0 HZ1 LYS A 39 89.276 14.317 1.597 1.00 1.00 H new ATOM 0 HZ2 LYS A 39 88.815 12.683 1.636 1.00 1.00 H new ATOM 0 HZ3 LYS A 39 89.890 13.290 2.801 1.00 1.00 H new ATOM 612 N SER A 40 89.961 9.195 5.874 1.00 1.00 N ATOM 613 CA SER A 40 90.187 9.673 7.268 1.00 1.00 C ATOM 614 C SER A 40 91.028 8.643 8.024 1.00 1.00 C ATOM 615 O SER A 40 92.174 8.881 8.350 1.00 1.00 O ATOM 616 CB SER A 40 88.841 9.849 7.972 1.00 1.00 C ATOM 617 OG SER A 40 89.058 10.362 9.279 1.00 1.00 O ATOM 0 H SER A 40 89.035 8.807 5.693 1.00 1.00 H new ATOM 0 HA SER A 40 90.711 10.629 7.247 1.00 1.00 H new ATOM 0 HB2 SER A 40 88.206 10.528 7.403 1.00 1.00 H new ATOM 0 HB3 SER A 40 88.318 8.894 8.026 1.00 1.00 H new ATOM 0 HG SER A 40 88.197 10.478 9.732 1.00 1.00 H new ATOM 623 N LYS A 41 90.467 7.496 8.299 1.00 1.00 N ATOM 624 CA LYS A 41 91.231 6.442 9.027 1.00 1.00 C ATOM 625 C LYS A 41 90.826 5.068 8.478 1.00 1.00 C ATOM 626 O LYS A 41 89.764 4.911 7.908 1.00 1.00 O ATOM 627 CB LYS A 41 90.931 6.513 10.537 1.00 1.00 C ATOM 628 CG LYS A 41 89.669 7.345 10.772 1.00 1.00 C ATOM 629 CD LYS A 41 88.448 6.576 10.263 1.00 1.00 C ATOM 630 CE LYS A 41 87.179 7.375 10.567 1.00 1.00 C ATOM 631 NZ LYS A 41 85.986 6.499 10.388 1.00 1.00 N ATOM 0 H LYS A 41 89.511 7.243 8.050 1.00 1.00 H new ATOM 0 HA LYS A 41 92.299 6.599 8.880 1.00 1.00 H new ATOM 0 HB2 LYS A 41 90.796 5.509 10.939 1.00 1.00 H new ATOM 0 HB3 LYS A 41 91.775 6.957 11.065 1.00 1.00 H new ATOM 0 HG2 LYS A 41 89.557 7.564 11.834 1.00 1.00 H new ATOM 0 HG3 LYS A 41 89.750 8.302 10.256 1.00 1.00 H new ATOM 0 HD2 LYS A 41 88.534 6.404 9.190 1.00 1.00 H new ATOM 0 HD3 LYS A 41 88.397 5.597 10.739 1.00 1.00 H new ATOM 0 HE2 LYS A 41 87.213 7.758 11.587 1.00 1.00 H new ATOM 0 HE3 LYS A 41 87.112 8.238 9.905 1.00 1.00 H new ATOM 0 HZ1 LYS A 41 85.123 7.041 10.594 1.00 1.00 H new ATOM 0 HZ2 LYS A 41 85.952 6.155 9.407 1.00 1.00 H new ATOM 0 HZ3 LYS A 41 86.049 5.689 11.037 1.00 1.00 H new ATOM 645 N PRO A 42 91.671 4.084 8.641 1.00 1.00 N ATOM 646 CA PRO A 42 91.402 2.701 8.145 1.00 1.00 C ATOM 647 C PRO A 42 90.311 1.992 8.959 1.00 1.00 C ATOM 648 O PRO A 42 90.044 2.345 10.090 1.00 1.00 O ATOM 649 CB PRO A 42 92.747 1.988 8.315 1.00 1.00 C ATOM 650 CG PRO A 42 93.444 2.726 9.409 1.00 1.00 C ATOM 651 CD PRO A 42 92.974 4.179 9.319 1.00 1.00 C ATOM 0 HA PRO A 42 91.036 2.703 7.118 1.00 1.00 H new ATOM 0 HB2 PRO A 42 92.607 0.939 8.575 1.00 1.00 H new ATOM 0 HB3 PRO A 42 93.326 2.013 7.392 1.00 1.00 H new ATOM 0 HG2 PRO A 42 93.201 2.299 10.382 1.00 1.00 H new ATOM 0 HG3 PRO A 42 94.526 2.660 9.294 1.00 1.00 H new ATOM 0 HD2 PRO A 42 92.879 4.631 10.306 1.00 1.00 H new ATOM 0 HD3 PRO A 42 93.676 4.792 8.754 1.00 1.00 H new ATOM 659 N PRO A 43 89.689 0.993 8.385 1.00 1.00 N ATOM 660 CA PRO A 43 88.615 0.214 9.066 1.00 1.00 C ATOM 661 C PRO A 43 89.183 -0.758 10.105 1.00 1.00 C ATOM 662 O PRO A 43 90.292 -1.237 9.976 1.00 1.00 O ATOM 663 CB PRO A 43 87.949 -0.551 7.921 1.00 1.00 C ATOM 664 CG PRO A 43 89.024 -0.725 6.900 1.00 1.00 C ATOM 665 CD PRO A 43 89.943 0.494 7.023 1.00 1.00 C ATOM 0 HA PRO A 43 87.928 0.855 9.618 1.00 1.00 H new ATOM 0 HB2 PRO A 43 87.566 -1.514 8.259 1.00 1.00 H new ATOM 0 HB3 PRO A 43 87.104 0.004 7.514 1.00 1.00 H new ATOM 0 HG2 PRO A 43 89.578 -1.647 7.074 1.00 1.00 H new ATOM 0 HG3 PRO A 43 88.600 -0.792 5.898 1.00 1.00 H new ATOM 0 HD2 PRO A 43 90.989 0.221 6.886 1.00 1.00 H new ATOM 0 HD3 PRO A 43 89.709 1.248 6.271 1.00 1.00 H new ATOM 673 N LYS A 44 88.430 -1.055 11.131 1.00 1.00 N ATOM 674 CA LYS A 44 88.921 -1.998 12.179 1.00 1.00 C ATOM 675 C LYS A 44 87.931 -3.155 12.322 1.00 1.00 C ATOM 676 O LYS A 44 88.108 -4.040 13.136 1.00 1.00 O ATOM 677 CB LYS A 44 89.043 -1.257 13.515 1.00 1.00 C ATOM 678 CG LYS A 44 90.044 -1.986 14.414 1.00 1.00 C ATOM 679 CD LYS A 44 89.890 -1.492 15.854 1.00 1.00 C ATOM 680 CE LYS A 44 91.142 -1.855 16.655 1.00 1.00 C ATOM 681 NZ LYS A 44 90.845 -1.759 18.112 1.00 1.00 N ATOM 0 H LYS A 44 87.493 -0.684 11.289 1.00 1.00 H new ATOM 0 HA LYS A 44 89.897 -2.389 11.892 1.00 1.00 H new ATOM 0 HB2 LYS A 44 89.370 -0.231 13.345 1.00 1.00 H new ATOM 0 HB3 LYS A 44 88.070 -1.204 14.004 1.00 1.00 H new ATOM 0 HG2 LYS A 44 89.875 -3.062 14.367 1.00 1.00 H new ATOM 0 HG3 LYS A 44 91.061 -1.808 14.064 1.00 1.00 H new ATOM 0 HD2 LYS A 44 89.739 -0.413 15.865 1.00 1.00 H new ATOM 0 HD3 LYS A 44 89.009 -1.942 16.312 1.00 1.00 H new ATOM 0 HE2 LYS A 44 91.466 -2.865 16.405 1.00 1.00 H new ATOM 0 HE3 LYS A 44 91.960 -1.184 16.395 1.00 1.00 H new ATOM 0 HZ1 LYS A 44 91.696 -2.006 18.657 1.00 1.00 H new ATOM 0 HZ2 LYS A 44 90.555 -0.788 18.344 1.00 1.00 H new ATOM 0 HZ3 LYS A 44 90.076 -2.417 18.354 1.00 1.00 H new ATOM 695 N LYS A 45 86.890 -3.157 11.534 1.00 1.00 N ATOM 696 CA LYS A 45 85.892 -4.259 11.622 1.00 1.00 C ATOM 697 C LYS A 45 85.268 -4.273 13.020 1.00 1.00 C ATOM 698 O LYS A 45 85.898 -3.913 13.995 1.00 1.00 O ATOM 699 CB LYS A 45 86.590 -5.597 11.357 1.00 1.00 C ATOM 700 CG LYS A 45 85.563 -6.625 10.879 1.00 1.00 C ATOM 701 CD LYS A 45 86.234 -7.992 10.740 1.00 1.00 C ATOM 702 CE LYS A 45 85.355 -8.910 9.889 1.00 1.00 C ATOM 703 NZ LYS A 45 83.920 -8.644 10.193 1.00 1.00 N ATOM 0 H LYS A 45 86.688 -2.443 10.834 1.00 1.00 H new ATOM 0 HA LYS A 45 85.109 -4.104 10.880 1.00 1.00 H new ATOM 0 HB2 LYS A 45 87.369 -5.470 10.605 1.00 1.00 H new ATOM 0 HB3 LYS A 45 87.078 -5.950 12.265 1.00 1.00 H new ATOM 0 HG2 LYS A 45 84.736 -6.685 11.587 1.00 1.00 H new ATOM 0 HG3 LYS A 45 85.142 -6.316 9.922 1.00 1.00 H new ATOM 0 HD2 LYS A 45 87.216 -7.882 10.279 1.00 1.00 H new ATOM 0 HD3 LYS A 45 86.392 -8.433 11.724 1.00 1.00 H new ATOM 0 HE2 LYS A 45 85.551 -8.740 8.830 1.00 1.00 H new ATOM 0 HE3 LYS A 45 85.594 -9.953 10.094 1.00 1.00 H new ATOM 0 HZ1 LYS A 45 83.344 -9.451 9.881 1.00 1.00 H new ATOM 0 HZ2 LYS A 45 83.801 -8.510 11.217 1.00 1.00 H new ATOM 0 HZ3 LYS A 45 83.613 -7.785 9.693 1.00 1.00 H new ATOM 717 N GLY A 46 84.034 -4.689 13.125 1.00 1.00 N ATOM 718 CA GLY A 46 83.366 -4.732 14.460 1.00 1.00 C ATOM 719 C GLY A 46 82.458 -3.511 14.624 1.00 1.00 C ATOM 720 O GLY A 46 81.299 -3.534 14.259 1.00 1.00 O ATOM 0 H GLY A 46 83.458 -5.001 12.343 1.00 1.00 H new ATOM 0 HA2 GLY A 46 82.781 -5.647 14.555 1.00 1.00 H new ATOM 0 HA3 GLY A 46 84.115 -4.749 15.252 1.00 1.00 H new ATOM 724 N VAL A 47 82.974 -2.445 15.175 1.00 1.00 N ATOM 725 CA VAL A 47 82.137 -1.226 15.369 1.00 1.00 C ATOM 726 C VAL A 47 82.162 -0.374 14.097 1.00 1.00 C ATOM 727 O VAL A 47 83.208 -0.093 13.546 1.00 1.00 O ATOM 728 CB VAL A 47 82.690 -0.411 16.542 1.00 1.00 C ATOM 729 CG1 VAL A 47 82.264 -1.059 17.861 1.00 1.00 C ATOM 730 CG2 VAL A 47 84.218 -0.377 16.462 1.00 1.00 C ATOM 0 H VAL A 47 83.938 -2.366 15.499 1.00 1.00 H new ATOM 0 HA VAL A 47 81.110 -1.523 15.582 1.00 1.00 H new ATOM 0 HB VAL A 47 82.299 0.605 16.494 1.00 1.00 H new ATOM 0 HG11 VAL A 47 82.658 -0.479 18.695 1.00 1.00 H new ATOM 0 HG12 VAL A 47 81.176 -1.085 17.919 1.00 1.00 H new ATOM 0 HG13 VAL A 47 82.654 -2.075 17.910 1.00 1.00 H new ATOM 0 HG21 VAL A 47 84.613 0.203 17.296 1.00 1.00 H new ATOM 0 HG22 VAL A 47 84.608 -1.394 16.510 1.00 1.00 H new ATOM 0 HG23 VAL A 47 84.523 0.084 15.523 1.00 1.00 H new ATOM 740 N GLN A 48 81.015 0.043 13.632 1.00 1.00 N ATOM 741 CA GLN A 48 80.962 0.883 12.399 1.00 1.00 C ATOM 742 C GLN A 48 80.795 2.352 12.797 1.00 1.00 C ATOM 743 O GLN A 48 81.609 2.906 13.510 1.00 1.00 O ATOM 744 CB GLN A 48 79.776 0.443 11.536 1.00 1.00 C ATOM 745 CG GLN A 48 79.916 1.036 10.133 1.00 1.00 C ATOM 746 CD GLN A 48 80.998 0.275 9.362 1.00 1.00 C ATOM 747 OE1 GLN A 48 81.976 0.855 8.934 1.00 1.00 O ATOM 748 NE2 GLN A 48 80.862 -1.008 9.167 1.00 1.00 N ATOM 0 H GLN A 48 80.109 -0.162 14.054 1.00 1.00 H new ATOM 0 HA GLN A 48 81.885 0.764 11.831 1.00 1.00 H new ATOM 0 HB2 GLN A 48 79.738 -0.645 11.480 1.00 1.00 H new ATOM 0 HB3 GLN A 48 78.841 0.772 11.990 1.00 1.00 H new ATOM 0 HG2 GLN A 48 78.965 0.973 9.604 1.00 1.00 H new ATOM 0 HG3 GLN A 48 80.176 2.093 10.198 1.00 1.00 H new ATOM 0 HE21 GLN A 48 80.041 -1.494 9.527 1.00 1.00 H new ATOM 0 HE22 GLN A 48 81.577 -1.525 8.655 1.00 1.00 H new ATOM 757 N GLY A 49 79.748 2.988 12.347 1.00 1.00 N ATOM 758 CA GLY A 49 79.534 4.419 12.705 1.00 1.00 C ATOM 759 C GLY A 49 78.104 4.824 12.348 1.00 1.00 C ATOM 760 O GLY A 49 77.804 5.987 12.166 1.00 1.00 O ATOM 0 H GLY A 49 79.032 2.579 11.747 1.00 1.00 H new ATOM 0 HA2 GLY A 49 79.711 4.569 13.770 1.00 1.00 H new ATOM 0 HA3 GLY A 49 80.246 5.049 12.172 1.00 1.00 H new ATOM 764 N CYS A 50 77.217 3.871 12.245 1.00 1.00 N ATOM 765 CA CYS A 50 75.805 4.199 11.899 1.00 1.00 C ATOM 766 C CYS A 50 75.031 4.532 13.177 1.00 1.00 C ATOM 767 O CYS A 50 74.644 5.662 13.402 1.00 1.00 O ATOM 768 CB CYS A 50 75.160 2.995 11.204 1.00 1.00 C ATOM 769 SG CYS A 50 74.076 3.575 9.875 1.00 1.00 S ATOM 0 H CYS A 50 77.410 2.879 12.386 1.00 1.00 H new ATOM 0 HA CYS A 50 75.782 5.059 11.230 1.00 1.00 H new ATOM 0 HB2 CYS A 50 75.931 2.339 10.799 1.00 1.00 H new ATOM 0 HB3 CYS A 50 74.589 2.409 11.924 1.00 1.00 H new ATOM 774 N GLY A 51 74.802 3.558 14.016 1.00 1.00 N ATOM 775 CA GLY A 51 74.053 3.819 15.278 1.00 1.00 C ATOM 776 C GLY A 51 72.807 4.651 14.970 1.00 1.00 C ATOM 777 O GLY A 51 72.323 5.393 15.801 1.00 1.00 O ATOM 0 H GLY A 51 75.102 2.592 13.882 1.00 1.00 H new ATOM 0 HA2 GLY A 51 73.767 2.877 15.745 1.00 1.00 H new ATOM 0 HA3 GLY A 51 74.689 4.347 15.988 1.00 1.00 H new ATOM 781 N ASP A 52 72.284 4.533 13.780 1.00 1.00 N ATOM 782 CA ASP A 52 71.071 5.319 13.419 1.00 1.00 C ATOM 783 C ASP A 52 71.290 6.788 13.781 1.00 1.00 C ATOM 784 O ASP A 52 70.685 7.309 14.697 1.00 1.00 O ATOM 785 CB ASP A 52 69.864 4.778 14.189 1.00 1.00 C ATOM 786 CG ASP A 52 68.605 5.536 13.763 1.00 1.00 C ATOM 787 OD1 ASP A 52 68.590 6.043 12.653 1.00 1.00 O ATOM 788 OD2 ASP A 52 67.678 5.596 14.553 1.00 1.00 O ATOM 0 H ASP A 52 72.644 3.927 13.043 1.00 1.00 H new ATOM 0 HA ASP A 52 70.887 5.232 12.348 1.00 1.00 H new ATOM 0 HB2 ASP A 52 69.743 3.712 13.994 1.00 1.00 H new ATOM 0 HB3 ASP A 52 70.023 4.890 15.261 1.00 1.00 H new ATOM 793 N ASP A 53 72.154 7.462 13.070 1.00 1.00 N ATOM 794 CA ASP A 53 72.415 8.899 13.372 1.00 1.00 C ATOM 795 C ASP A 53 72.681 9.654 12.069 1.00 1.00 C ATOM 796 O ASP A 53 72.440 10.840 11.967 1.00 1.00 O ATOM 797 CB ASP A 53 73.636 9.014 14.287 1.00 1.00 C ATOM 798 CG ASP A 53 73.719 10.433 14.852 1.00 1.00 C ATOM 799 OD1 ASP A 53 73.848 11.356 14.065 1.00 1.00 O ATOM 800 OD2 ASP A 53 73.652 10.573 16.062 1.00 1.00 O ATOM 0 H ASP A 53 72.691 7.079 12.292 1.00 1.00 H new ATOM 0 HA ASP A 53 71.546 9.329 13.870 1.00 1.00 H new ATOM 0 HB2 ASP A 53 73.564 8.291 15.100 1.00 1.00 H new ATOM 0 HB3 ASP A 53 74.544 8.779 13.731 1.00 1.00 H new ATOM 805 N ILE A 54 73.176 8.975 11.069 1.00 1.00 N ATOM 806 CA ILE A 54 73.455 9.654 9.772 1.00 1.00 C ATOM 807 C ILE A 54 72.239 10.507 9.381 1.00 1.00 C ATOM 808 O ILE A 54 71.115 10.054 9.465 1.00 1.00 O ATOM 809 CB ILE A 54 73.707 8.592 8.696 1.00 1.00 C ATOM 810 CG1 ILE A 54 74.169 9.274 7.407 1.00 1.00 C ATOM 811 CG2 ILE A 54 72.414 7.820 8.427 1.00 1.00 C ATOM 812 CD1 ILE A 54 74.275 8.235 6.289 1.00 1.00 C ATOM 0 H ILE A 54 73.399 7.980 11.095 1.00 1.00 H new ATOM 0 HA ILE A 54 74.333 10.293 9.865 1.00 1.00 H new ATOM 0 HB ILE A 54 74.477 7.902 9.040 1.00 1.00 H new ATOM 0 HG12 ILE A 54 73.465 10.057 7.125 1.00 1.00 H new ATOM 0 HG13 ILE A 54 75.135 9.755 7.564 1.00 1.00 H new ATOM 0 HG21 ILE A 54 72.594 7.065 7.662 1.00 1.00 H new ATOM 0 HG22 ILE A 54 72.082 7.335 9.345 1.00 1.00 H new ATOM 0 HG23 ILE A 54 71.643 8.510 8.082 1.00 1.00 H new ATOM 0 HD11 ILE A 54 74.604 8.721 5.371 1.00 1.00 H new ATOM 0 HD12 ILE A 54 74.996 7.468 6.572 1.00 1.00 H new ATOM 0 HD13 ILE A 54 73.300 7.775 6.127 1.00 1.00 H new ATOM 824 N PRO A 55 72.449 11.733 8.961 1.00 1.00 N ATOM 825 CA PRO A 55 71.330 12.637 8.566 1.00 1.00 C ATOM 826 C PRO A 55 70.603 12.140 7.312 1.00 1.00 C ATOM 827 O PRO A 55 69.845 12.861 6.694 1.00 1.00 O ATOM 828 CB PRO A 55 72.010 13.988 8.303 1.00 1.00 C ATOM 829 CG PRO A 55 73.445 13.666 8.040 1.00 1.00 C ATOM 830 CD PRO A 55 73.760 12.384 8.815 1.00 1.00 C ATOM 0 HA PRO A 55 70.564 12.691 9.339 1.00 1.00 H new ATOM 0 HB2 PRO A 55 71.559 14.495 7.450 1.00 1.00 H new ATOM 0 HB3 PRO A 55 71.907 14.653 9.161 1.00 1.00 H new ATOM 0 HG2 PRO A 55 73.621 13.526 6.973 1.00 1.00 H new ATOM 0 HG3 PRO A 55 74.090 14.482 8.365 1.00 1.00 H new ATOM 0 HD2 PRO A 55 74.463 11.751 8.273 1.00 1.00 H new ATOM 0 HD3 PRO A 55 74.209 12.602 9.784 1.00 1.00 H new ATOM 838 N GLY A 56 70.823 10.909 6.937 1.00 1.00 N ATOM 839 CA GLY A 56 70.139 10.366 5.730 1.00 1.00 C ATOM 840 C GLY A 56 68.646 10.212 6.023 1.00 1.00 C ATOM 841 O GLY A 56 67.824 10.917 5.472 1.00 1.00 O ATOM 0 H GLY A 56 71.446 10.257 7.414 1.00 1.00 H new ATOM 0 HA2 GLY A 56 70.288 11.034 4.882 1.00 1.00 H new ATOM 0 HA3 GLY A 56 70.569 9.403 5.456 1.00 1.00 H new ATOM 845 N MET A 57 68.297 9.294 6.891 1.00 1.00 N ATOM 846 CA MET A 57 66.858 9.072 7.248 1.00 1.00 C ATOM 847 C MET A 57 65.943 9.574 6.125 1.00 1.00 C ATOM 848 O MET A 57 65.449 10.683 6.161 1.00 1.00 O ATOM 849 CB MET A 57 66.524 9.805 8.560 1.00 1.00 C ATOM 850 CG MET A 57 67.460 11.003 8.734 1.00 1.00 C ATOM 851 SD MET A 57 67.008 12.298 7.553 1.00 1.00 S ATOM 852 CE MET A 57 65.408 12.722 8.283 1.00 1.00 C ATOM 0 H MET A 57 68.954 8.681 7.374 1.00 1.00 H new ATOM 0 HA MET A 57 66.694 8.003 7.381 1.00 1.00 H new ATOM 0 HB2 MET A 57 65.487 10.140 8.547 1.00 1.00 H new ATOM 0 HB3 MET A 57 66.628 9.124 9.405 1.00 1.00 H new ATOM 0 HG2 MET A 57 67.393 11.385 9.753 1.00 1.00 H new ATOM 0 HG3 MET A 57 68.494 10.696 8.576 1.00 1.00 H new ATOM 0 HE1 MET A 57 65.358 13.798 8.450 1.00 1.00 H new ATOM 0 HE2 MET A 57 64.608 12.422 7.606 1.00 1.00 H new ATOM 0 HE3 MET A 57 65.292 12.201 9.234 1.00 1.00 H new ATOM 862 N GLU A 58 65.716 8.764 5.127 1.00 1.00 N ATOM 863 CA GLU A 58 64.835 9.191 4.001 1.00 1.00 C ATOM 864 C GLU A 58 64.031 7.989 3.503 1.00 1.00 C ATOM 865 O GLU A 58 62.823 7.944 3.623 1.00 1.00 O ATOM 866 CB GLU A 58 65.699 9.734 2.860 1.00 1.00 C ATOM 867 CG GLU A 58 64.804 10.400 1.813 1.00 1.00 C ATOM 868 CD GLU A 58 65.600 10.621 0.526 1.00 1.00 C ATOM 869 OE1 GLU A 58 66.308 9.711 0.126 1.00 1.00 O ATOM 870 OE2 GLU A 58 65.489 11.697 -0.038 1.00 1.00 O ATOM 0 H GLU A 58 66.103 7.824 5.042 1.00 1.00 H new ATOM 0 HA GLU A 58 64.153 9.969 4.344 1.00 1.00 H new ATOM 0 HB2 GLU A 58 66.421 10.453 3.247 1.00 1.00 H new ATOM 0 HB3 GLU A 58 66.269 8.924 2.404 1.00 1.00 H new ATOM 0 HG2 GLU A 58 63.934 9.775 1.612 1.00 1.00 H new ATOM 0 HG3 GLU A 58 64.431 11.352 2.191 1.00 1.00 H new ATOM 877 N GLY A 59 64.694 7.014 2.948 1.00 1.00 N ATOM 878 CA GLY A 59 63.975 5.811 2.442 1.00 1.00 C ATOM 879 C GLY A 59 64.959 4.647 2.339 1.00 1.00 C ATOM 880 O GLY A 59 64.937 3.882 1.395 1.00 1.00 O ATOM 0 H GLY A 59 65.706 6.998 2.822 1.00 1.00 H new ATOM 0 HA2 GLY A 59 63.156 5.553 3.113 1.00 1.00 H new ATOM 0 HA3 GLY A 59 63.535 6.019 1.467 1.00 1.00 H new ATOM 884 N CYS A 60 65.827 4.511 3.303 1.00 1.00 N ATOM 885 CA CYS A 60 66.819 3.401 3.262 1.00 1.00 C ATOM 886 C CYS A 60 67.570 3.344 4.595 1.00 1.00 C ATOM 887 O CYS A 60 68.236 2.376 4.902 1.00 1.00 O ATOM 888 CB CYS A 60 67.811 3.643 2.118 1.00 1.00 C ATOM 889 SG CYS A 60 67.728 5.377 1.605 1.00 1.00 S ATOM 0 H CYS A 60 65.892 5.121 4.118 1.00 1.00 H new ATOM 0 HA CYS A 60 66.304 2.455 3.096 1.00 1.00 H new ATOM 0 HB2 CYS A 60 68.822 3.396 2.441 1.00 1.00 H new ATOM 0 HB3 CYS A 60 67.577 2.992 1.276 1.00 1.00 H new ATOM 894 N GLY A 61 67.463 4.373 5.390 1.00 1.00 N ATOM 895 CA GLY A 61 68.165 4.373 6.704 1.00 1.00 C ATOM 896 C GLY A 61 67.424 3.445 7.666 1.00 1.00 C ATOM 897 O GLY A 61 67.928 3.086 8.712 1.00 1.00 O ATOM 0 H GLY A 61 66.921 5.213 5.187 1.00 1.00 H new ATOM 0 HA2 GLY A 61 69.196 4.041 6.580 1.00 1.00 H new ATOM 0 HA3 GLY A 61 68.203 5.384 7.110 1.00 1.00 H new ATOM 901 N THR A 62 66.228 3.051 7.313 1.00 1.00 N ATOM 902 CA THR A 62 65.437 2.141 8.193 1.00 1.00 C ATOM 903 C THR A 62 65.230 0.804 7.479 1.00 1.00 C ATOM 904 O THR A 62 65.439 -0.252 8.044 1.00 1.00 O ATOM 905 CB THR A 62 64.074 2.776 8.491 1.00 1.00 C ATOM 906 OG1 THR A 62 63.104 1.752 8.663 1.00 1.00 O ATOM 907 CG2 THR A 62 63.664 3.680 7.327 1.00 1.00 C ATOM 0 H THR A 62 65.763 3.323 6.447 1.00 1.00 H new ATOM 0 HA THR A 62 65.973 1.978 9.128 1.00 1.00 H new ATOM 0 HB THR A 62 64.141 3.370 9.402 1.00 1.00 H new ATOM 0 HG1 THR A 62 62.232 2.156 8.855 1.00 1.00 H new ATOM 0 HG21 THR A 62 62.695 4.131 7.540 1.00 1.00 H new ATOM 0 HG22 THR A 62 64.409 4.465 7.196 1.00 1.00 H new ATOM 0 HG23 THR A 62 63.596 3.089 6.414 1.00 1.00 H new ATOM 915 N ASP A 63 64.824 0.839 6.239 1.00 1.00 N ATOM 916 CA ASP A 63 64.606 -0.429 5.489 1.00 1.00 C ATOM 917 C ASP A 63 65.946 -1.154 5.327 1.00 1.00 C ATOM 918 O ASP A 63 66.030 -2.190 4.697 1.00 1.00 O ATOM 919 CB ASP A 63 63.999 -0.105 4.111 1.00 1.00 C ATOM 920 CG ASP A 63 65.012 -0.429 3.011 1.00 1.00 C ATOM 921 OD1 ASP A 63 66.116 0.086 3.081 1.00 1.00 O ATOM 922 OD2 ASP A 63 64.667 -1.185 2.119 1.00 1.00 O ATOM 0 H ASP A 63 64.634 1.692 5.713 1.00 1.00 H new ATOM 0 HA ASP A 63 63.918 -1.075 6.034 1.00 1.00 H new ATOM 0 HB2 ASP A 63 63.087 -0.682 3.960 1.00 1.00 H new ATOM 0 HB3 ASP A 63 63.721 0.948 4.064 1.00 1.00 H new ATOM 927 N ILE A 64 66.995 -0.612 5.887 1.00 1.00 N ATOM 928 CA ILE A 64 68.331 -1.264 5.762 1.00 1.00 C ATOM 929 C ILE A 64 68.605 -2.126 6.994 1.00 1.00 C ATOM 930 O ILE A 64 68.970 -3.276 6.884 1.00 1.00 O ATOM 931 CB ILE A 64 69.423 -0.192 5.636 1.00 1.00 C ATOM 932 CG1 ILE A 64 70.799 -0.855 5.726 1.00 1.00 C ATOM 933 CG2 ILE A 64 69.274 0.826 6.768 1.00 1.00 C ATOM 934 CD1 ILE A 64 71.881 0.161 5.355 1.00 1.00 C ATOM 0 H ILE A 64 66.984 0.254 6.426 1.00 1.00 H new ATOM 0 HA ILE A 64 68.337 -1.893 4.872 1.00 1.00 H new ATOM 0 HB ILE A 64 69.324 0.316 4.676 1.00 1.00 H new ATOM 0 HG12 ILE A 64 70.968 -1.230 6.735 1.00 1.00 H new ATOM 0 HG13 ILE A 64 70.846 -1.713 5.055 1.00 1.00 H new ATOM 0 HG21 ILE A 64 70.050 1.587 6.678 1.00 1.00 H new ATOM 0 HG22 ILE A 64 68.294 1.298 6.706 1.00 1.00 H new ATOM 0 HG23 ILE A 64 69.373 0.319 7.728 1.00 1.00 H new ATOM 0 HD11 ILE A 64 72.861 -0.312 5.419 1.00 1.00 H new ATOM 0 HD12 ILE A 64 71.715 0.515 4.337 1.00 1.00 H new ATOM 0 HD13 ILE A 64 71.839 1.005 6.044 1.00 1.00 H new ATOM 946 N THR A 65 68.445 -1.568 8.160 1.00 1.00 N ATOM 947 CA THR A 65 68.710 -2.338 9.411 1.00 1.00 C ATOM 948 C THR A 65 70.226 -2.526 9.553 1.00 1.00 C ATOM 949 O THR A 65 70.701 -3.472 10.146 1.00 1.00 O ATOM 950 CB THR A 65 67.957 -3.690 9.354 1.00 1.00 C ATOM 951 OG1 THR A 65 67.305 -3.919 10.595 1.00 1.00 O ATOM 952 CG2 THR A 65 68.952 -4.819 9.082 1.00 1.00 C ATOM 0 H THR A 65 68.140 -0.605 8.304 1.00 1.00 H new ATOM 0 HA THR A 65 68.347 -1.801 10.287 1.00 1.00 H new ATOM 0 HB THR A 65 67.217 -3.661 8.554 1.00 1.00 H new ATOM 0 HG1 THR A 65 66.826 -4.773 10.560 1.00 1.00 H new ATOM 0 HG21 THR A 65 68.421 -5.770 9.042 1.00 1.00 H new ATOM 0 HG22 THR A 65 69.452 -4.642 8.130 1.00 1.00 H new ATOM 0 HG23 THR A 65 69.694 -4.851 9.880 1.00 1.00 H new ATOM 960 N VAL A 66 70.983 -1.616 8.995 1.00 1.00 N ATOM 961 CA VAL A 66 72.471 -1.711 9.059 1.00 1.00 C ATOM 962 C VAL A 66 72.931 -2.818 8.111 1.00 1.00 C ATOM 963 O VAL A 66 73.994 -2.750 7.527 1.00 1.00 O ATOM 964 CB VAL A 66 72.931 -2.025 10.489 1.00 1.00 C ATOM 965 CG1 VAL A 66 74.420 -1.705 10.629 1.00 1.00 C ATOM 966 CG2 VAL A 66 72.132 -1.174 11.478 1.00 1.00 C ATOM 0 H VAL A 66 70.628 -0.802 8.492 1.00 1.00 H new ATOM 0 HA VAL A 66 72.908 -0.757 8.763 1.00 1.00 H new ATOM 0 HB VAL A 66 72.766 -3.082 10.700 1.00 1.00 H new ATOM 0 HG11 VAL A 66 74.746 -1.928 11.645 1.00 1.00 H new ATOM 0 HG12 VAL A 66 74.990 -2.310 9.924 1.00 1.00 H new ATOM 0 HG13 VAL A 66 74.586 -0.649 10.418 1.00 1.00 H new ATOM 0 HG21 VAL A 66 72.457 -1.396 12.494 1.00 1.00 H new ATOM 0 HG22 VAL A 66 72.298 -0.118 11.266 1.00 1.00 H new ATOM 0 HG23 VAL A 66 71.071 -1.401 11.379 1.00 1.00 H new ATOM 976 N ILE A 67 72.123 -3.830 7.945 1.00 1.00 N ATOM 977 CA ILE A 67 72.485 -4.946 7.023 1.00 1.00 C ATOM 978 C ILE A 67 71.261 -5.333 6.195 1.00 1.00 C ATOM 979 O ILE A 67 70.436 -6.116 6.622 1.00 1.00 O ATOM 980 CB ILE A 67 72.955 -6.159 7.826 1.00 1.00 C ATOM 981 CG1 ILE A 67 74.087 -5.739 8.766 1.00 1.00 C ATOM 982 CG2 ILE A 67 73.463 -7.240 6.870 1.00 1.00 C ATOM 983 CD1 ILE A 67 74.574 -6.956 9.555 1.00 1.00 C ATOM 0 H ILE A 67 71.222 -3.933 8.411 1.00 1.00 H new ATOM 0 HA ILE A 67 73.291 -4.619 6.365 1.00 1.00 H new ATOM 0 HB ILE A 67 72.123 -6.552 8.409 1.00 1.00 H new ATOM 0 HG12 ILE A 67 74.910 -5.311 8.193 1.00 1.00 H new ATOM 0 HG13 ILE A 67 73.738 -4.965 9.450 1.00 1.00 H new ATOM 0 HG21 ILE A 67 73.798 -8.104 7.443 1.00 1.00 H new ATOM 0 HG22 ILE A 67 72.658 -7.539 6.199 1.00 1.00 H new ATOM 0 HG23 ILE A 67 74.295 -6.847 6.286 1.00 1.00 H new ATOM 0 HD11 ILE A 67 75.380 -6.657 10.225 1.00 1.00 H new ATOM 0 HD12 ILE A 67 73.750 -7.364 10.140 1.00 1.00 H new ATOM 0 HD13 ILE A 67 74.939 -7.715 8.864 1.00 1.00 H new ATOM 995 N CYS A 68 71.132 -4.798 5.016 1.00 1.00 N ATOM 996 CA CYS A 68 69.958 -5.145 4.169 1.00 1.00 C ATOM 997 C CYS A 68 70.261 -6.425 3.385 1.00 1.00 C ATOM 998 O CYS A 68 71.399 -6.705 3.067 1.00 1.00 O ATOM 999 CB CYS A 68 69.684 -3.999 3.193 1.00 1.00 C ATOM 1000 SG CYS A 68 70.997 -3.940 1.949 1.00 1.00 S ATOM 0 H CYS A 68 71.788 -4.136 4.601 1.00 1.00 H new ATOM 0 HA CYS A 68 69.083 -5.304 4.799 1.00 1.00 H new ATOM 0 HB2 CYS A 68 68.717 -4.141 2.710 1.00 1.00 H new ATOM 0 HB3 CYS A 68 69.635 -3.052 3.731 1.00 1.00 H new ATOM 1005 N PRO A 69 69.256 -7.204 3.065 1.00 1.00 N ATOM 1006 CA PRO A 69 69.449 -8.464 2.298 1.00 1.00 C ATOM 1007 C PRO A 69 70.468 -8.273 1.172 1.00 1.00 C ATOM 1008 O PRO A 69 71.201 -9.174 0.818 1.00 1.00 O ATOM 1009 CB PRO A 69 68.058 -8.753 1.734 1.00 1.00 C ATOM 1010 CG PRO A 69 67.107 -8.141 2.712 1.00 1.00 C ATOM 1011 CD PRO A 69 67.839 -6.976 3.389 1.00 1.00 C ATOM 0 HA PRO A 69 69.838 -9.278 2.910 1.00 1.00 H new ATOM 0 HB2 PRO A 69 67.937 -8.319 0.742 1.00 1.00 H new ATOM 0 HB3 PRO A 69 67.887 -9.825 1.636 1.00 1.00 H new ATOM 0 HG2 PRO A 69 66.208 -7.788 2.206 1.00 1.00 H new ATOM 0 HG3 PRO A 69 66.789 -8.877 3.451 1.00 1.00 H new ATOM 0 HD2 PRO A 69 67.493 -6.014 3.010 1.00 1.00 H new ATOM 0 HD3 PRO A 69 67.672 -6.973 4.466 1.00 1.00 H new ATOM 1019 N TRP A 70 70.520 -7.091 0.625 1.00 1.00 N ATOM 1020 CA TRP A 70 71.492 -6.804 -0.465 1.00 1.00 C ATOM 1021 C TRP A 70 72.897 -6.754 0.140 1.00 1.00 C ATOM 1022 O TRP A 70 73.874 -7.125 -0.481 1.00 1.00 O ATOM 1023 CB TRP A 70 71.146 -5.440 -1.076 1.00 1.00 C ATOM 1024 CG TRP A 70 71.614 -5.388 -2.495 1.00 1.00 C ATOM 1025 CD1 TRP A 70 72.507 -6.239 -3.050 1.00 1.00 C ATOM 1026 CD2 TRP A 70 71.230 -4.454 -3.546 1.00 1.00 C ATOM 1027 NE1 TRP A 70 72.696 -5.888 -4.374 1.00 1.00 N ATOM 1028 CE2 TRP A 70 71.932 -4.794 -4.728 1.00 1.00 C ATOM 1029 CE3 TRP A 70 70.351 -3.358 -3.590 1.00 1.00 C ATOM 1030 CZ2 TRP A 70 71.766 -4.070 -5.911 1.00 1.00 C ATOM 1031 CZ3 TRP A 70 70.182 -2.628 -4.776 1.00 1.00 C ATOM 1032 CH2 TRP A 70 70.887 -2.982 -5.934 1.00 1.00 C ATOM 0 H TRP A 70 69.926 -6.305 0.889 1.00 1.00 H new ATOM 0 HA TRP A 70 71.450 -7.574 -1.235 1.00 1.00 H new ATOM 0 HB2 TRP A 70 70.070 -5.274 -1.032 1.00 1.00 H new ATOM 0 HB3 TRP A 70 71.615 -4.643 -0.499 1.00 1.00 H new ATOM 0 HD1 TRP A 70 72.993 -7.059 -2.542 1.00 1.00 H new ATOM 0 HE1 TRP A 70 73.324 -6.378 -5.012 1.00 1.00 H new ATOM 0 HE3 TRP A 70 69.802 -3.076 -2.704 1.00 1.00 H new ATOM 0 HZ2 TRP A 70 72.312 -4.348 -6.801 1.00 1.00 H new ATOM 0 HZ3 TRP A 70 69.504 -1.788 -4.797 1.00 1.00 H new ATOM 0 HH2 TRP A 70 70.752 -2.415 -6.843 1.00 1.00 H new ATOM 1043 N GLU A 71 72.993 -6.291 1.356 1.00 1.00 N ATOM 1044 CA GLU A 71 74.316 -6.197 2.035 1.00 1.00 C ATOM 1045 C GLU A 71 74.838 -7.603 2.353 1.00 1.00 C ATOM 1046 O GLU A 71 75.600 -7.795 3.280 1.00 1.00 O ATOM 1047 CB GLU A 71 74.149 -5.404 3.341 1.00 1.00 C ATOM 1048 CG GLU A 71 75.182 -4.276 3.392 1.00 1.00 C ATOM 1049 CD GLU A 71 75.273 -3.731 4.819 1.00 1.00 C ATOM 1050 OE1 GLU A 71 74.475 -2.873 5.156 1.00 1.00 O ATOM 1051 OE2 GLU A 71 76.140 -4.182 5.549 1.00 1.00 O ATOM 0 H GLU A 71 72.202 -5.970 1.914 1.00 1.00 H new ATOM 0 HA GLU A 71 75.028 -5.693 1.382 1.00 1.00 H new ATOM 0 HB2 GLU A 71 73.142 -4.992 3.402 1.00 1.00 H new ATOM 0 HB3 GLU A 71 74.275 -6.065 4.198 1.00 1.00 H new ATOM 0 HG2 GLU A 71 76.156 -4.645 3.070 1.00 1.00 H new ATOM 0 HG3 GLU A 71 74.900 -3.479 2.704 1.00 1.00 H new ATOM 1058 N ALA A 72 74.437 -8.586 1.597 1.00 1.00 N ATOM 1059 CA ALA A 72 74.917 -9.969 1.868 1.00 1.00 C ATOM 1060 C ALA A 72 76.447 -9.980 1.851 1.00 1.00 C ATOM 1061 O ALA A 72 77.078 -10.860 2.399 1.00 1.00 O ATOM 1062 CB ALA A 72 74.383 -10.917 0.791 1.00 1.00 C ATOM 0 H ALA A 72 73.800 -8.492 0.806 1.00 1.00 H new ATOM 0 HA ALA A 72 74.559 -10.298 2.844 1.00 1.00 H new ATOM 0 HB1 ALA A 72 74.735 -11.929 0.990 1.00 1.00 H new ATOM 0 HB2 ALA A 72 73.293 -10.903 0.802 1.00 1.00 H new ATOM 0 HB3 ALA A 72 74.740 -10.595 -0.187 1.00 1.00 H new ATOM 1068 N CYS A 73 77.046 -8.998 1.233 1.00 1.00 N ATOM 1069 CA CYS A 73 78.534 -8.940 1.188 1.00 1.00 C ATOM 1070 C CYS A 73 79.057 -8.379 2.513 1.00 1.00 C ATOM 1071 O CYS A 73 79.940 -7.546 2.540 1.00 1.00 O ATOM 1072 CB CYS A 73 78.974 -8.030 0.040 1.00 1.00 C ATOM 1073 SG CYS A 73 78.561 -8.808 -1.541 1.00 1.00 S ATOM 0 H CYS A 73 76.568 -8.233 0.757 1.00 1.00 H new ATOM 0 HA CYS A 73 78.935 -9.941 1.030 1.00 1.00 H new ATOM 0 HB2 CYS A 73 78.481 -7.061 0.120 1.00 1.00 H new ATOM 0 HB3 CYS A 73 80.047 -7.847 0.098 1.00 1.00 H new ATOM 1078 N ASN A 74 78.509 -8.825 3.611 1.00 1.00 N ATOM 1079 CA ASN A 74 78.961 -8.314 4.937 1.00 1.00 C ATOM 1080 C ASN A 74 80.491 -8.283 4.993 1.00 1.00 C ATOM 1081 O ASN A 74 81.086 -7.271 5.303 1.00 1.00 O ATOM 1082 CB ASN A 74 78.431 -9.230 6.042 1.00 1.00 C ATOM 1083 CG ASN A 74 78.904 -8.715 7.403 1.00 1.00 C ATOM 1084 OD1 ASN A 74 78.324 -7.800 7.954 1.00 1.00 O ATOM 1085 ND2 ASN A 74 79.940 -9.267 7.972 1.00 1.00 N ATOM 0 H ASN A 74 77.766 -9.523 3.647 1.00 1.00 H new ATOM 0 HA ASN A 74 78.578 -7.304 5.080 1.00 1.00 H new ATOM 0 HB2 ASN A 74 77.342 -9.261 6.012 1.00 1.00 H new ATOM 0 HB3 ASN A 74 78.784 -10.249 5.884 1.00 1.00 H new ATOM 0 HD21 ASN A 74 80.263 -8.931 8.879 1.00 1.00 H new ATOM 1092 N HIS A 75 81.132 -9.383 4.701 1.00 1.00 N ATOM 1093 CA HIS A 75 82.623 -9.413 4.744 1.00 1.00 C ATOM 1094 C HIS A 75 83.180 -8.155 4.071 1.00 1.00 C ATOM 1095 O HIS A 75 84.154 -7.580 4.515 1.00 1.00 O ATOM 1096 CB HIS A 75 83.130 -10.657 4.010 1.00 1.00 C ATOM 1097 CG HIS A 75 84.547 -10.943 4.426 1.00 1.00 C ATOM 1098 ND1 HIS A 75 85.549 -11.207 3.505 1.00 1.00 N ATOM 1099 CD2 HIS A 75 85.145 -11.009 5.662 1.00 1.00 C ATOM 1100 CE1 HIS A 75 86.687 -11.419 4.190 1.00 1.00 C ATOM 1101 NE2 HIS A 75 86.495 -11.310 5.506 1.00 1.00 N ATOM 0 H HIS A 75 80.688 -10.262 4.435 1.00 1.00 H new ATOM 0 HA HIS A 75 82.956 -9.445 5.781 1.00 1.00 H new ATOM 0 HB2 HIS A 75 82.493 -11.512 4.238 1.00 1.00 H new ATOM 0 HB3 HIS A 75 83.081 -10.502 2.932 1.00 1.00 H new ATOM 0 HD2 HIS A 75 84.645 -10.852 6.607 1.00 1.00 H new ATOM 0 HE1 HIS A 75 87.638 -11.649 3.732 1.00 1.00 H new ATOM 0 HE2 HIS A 75 87.191 -11.423 6.243 1.00 1.00 H new ATOM 1110 N CYS A 76 82.562 -7.721 3.006 1.00 1.00 N ATOM 1111 CA CYS A 76 83.044 -6.497 2.305 1.00 1.00 C ATOM 1112 C CYS A 76 84.333 -6.813 1.541 1.00 1.00 C ATOM 1113 O CYS A 76 85.329 -6.128 1.670 1.00 1.00 O ATOM 1114 CB CYS A 76 83.307 -5.389 3.332 1.00 1.00 C ATOM 1115 SG CYS A 76 82.757 -3.801 2.660 1.00 1.00 S ATOM 0 H CYS A 76 81.742 -8.163 2.590 1.00 1.00 H new ATOM 0 HA CYS A 76 82.284 -6.161 1.599 1.00 1.00 H new ATOM 0 HB2 CYS A 76 82.778 -5.606 4.260 1.00 1.00 H new ATOM 0 HB3 CYS A 76 84.369 -5.346 3.573 1.00 1.00 H new ATOM 1120 N GLU A 77 84.322 -7.841 0.737 1.00 1.00 N ATOM 1121 CA GLU A 77 85.546 -8.189 -0.039 1.00 1.00 C ATOM 1122 C GLU A 77 85.984 -6.972 -0.856 1.00 1.00 C ATOM 1123 O GLU A 77 85.474 -5.882 -0.684 1.00 1.00 O ATOM 1124 CB GLU A 77 85.242 -9.353 -0.988 1.00 1.00 C ATOM 1125 CG GLU A 77 85.134 -10.654 -0.190 1.00 1.00 C ATOM 1126 CD GLU A 77 83.739 -10.759 0.429 1.00 1.00 C ATOM 1127 OE1 GLU A 77 82.975 -9.820 0.282 1.00 1.00 O ATOM 1128 OE2 GLU A 77 83.459 -11.778 1.039 1.00 1.00 O ATOM 0 H GLU A 77 83.521 -8.453 0.584 1.00 1.00 H new ATOM 0 HA GLU A 77 86.341 -8.481 0.647 1.00 1.00 H new ATOM 0 HB2 GLU A 77 84.311 -9.165 -1.523 1.00 1.00 H new ATOM 0 HB3 GLU A 77 86.029 -9.439 -1.737 1.00 1.00 H new ATOM 0 HG2 GLU A 77 85.320 -11.509 -0.841 1.00 1.00 H new ATOM 0 HG3 GLU A 77 85.893 -10.678 0.592 1.00 1.00 H new ATOM 1135 N LEU A 78 86.923 -7.147 -1.744 1.00 1.00 N ATOM 1136 CA LEU A 78 87.387 -5.997 -2.570 1.00 1.00 C ATOM 1137 C LEU A 78 88.269 -6.503 -3.715 1.00 1.00 C ATOM 1138 O LEU A 78 88.898 -5.733 -4.413 1.00 1.00 O ATOM 1139 CB LEU A 78 88.163 -4.998 -1.691 1.00 1.00 C ATOM 1140 CG LEU A 78 89.488 -5.614 -1.238 1.00 1.00 C ATOM 1141 CD1 LEU A 78 89.266 -7.078 -0.853 1.00 1.00 C ATOM 1142 CD2 LEU A 78 90.502 -5.537 -2.382 1.00 1.00 C ATOM 0 H LEU A 78 87.388 -8.035 -1.933 1.00 1.00 H new ATOM 0 HA LEU A 78 86.523 -5.487 -2.994 1.00 1.00 H new ATOM 0 HB2 LEU A 78 88.352 -4.081 -2.249 1.00 1.00 H new ATOM 0 HB3 LEU A 78 87.564 -4.725 -0.822 1.00 1.00 H new ATOM 0 HG LEU A 78 89.868 -5.065 -0.376 1.00 1.00 H new ATOM 0 HD11 LEU A 78 90.210 -7.517 -0.530 1.00 1.00 H new ATOM 0 HD12 LEU A 78 88.543 -7.135 -0.039 1.00 1.00 H new ATOM 0 HD13 LEU A 78 88.887 -7.627 -1.715 1.00 1.00 H new ATOM 0 HD21 LEU A 78 91.447 -5.976 -2.061 1.00 1.00 H new ATOM 0 HD22 LEU A 78 90.121 -6.086 -3.243 1.00 1.00 H new ATOM 0 HD23 LEU A 78 90.661 -4.495 -2.658 1.00 1.00 H new ATOM 1154 N HIS A 79 88.315 -7.795 -3.916 1.00 1.00 N ATOM 1155 CA HIS A 79 89.152 -8.361 -5.018 1.00 1.00 C ATOM 1156 C HIS A 79 88.264 -9.157 -5.981 1.00 1.00 C ATOM 1157 O HIS A 79 88.547 -9.258 -7.158 1.00 1.00 O ATOM 1158 CB HIS A 79 90.215 -9.293 -4.421 1.00 1.00 C ATOM 1159 CG HIS A 79 91.457 -8.504 -4.109 1.00 1.00 C ATOM 1160 ND1 HIS A 79 92.053 -8.529 -2.856 1.00 1.00 N ATOM 1161 CD2 HIS A 79 92.228 -7.664 -4.875 1.00 1.00 C ATOM 1162 CE1 HIS A 79 93.132 -7.727 -2.903 1.00 1.00 C ATOM 1163 NE2 HIS A 79 93.283 -7.177 -4.110 1.00 1.00 N ATOM 0 H HIS A 79 87.807 -8.485 -3.363 1.00 1.00 H new ATOM 0 HA HIS A 79 89.637 -7.548 -5.559 1.00 1.00 H new ATOM 0 HB2 HIS A 79 89.833 -9.764 -3.515 1.00 1.00 H new ATOM 0 HB3 HIS A 79 90.447 -10.094 -5.123 1.00 1.00 H new ATOM 0 HD2 HIS A 79 92.044 -7.419 -5.911 1.00 1.00 H new ATOM 0 HE1 HIS A 79 93.794 -7.550 -2.068 1.00 1.00 H new ATOM 0 HE2 HIS A 79 94.017 -6.535 -4.408 1.00 1.00 H new ATOM 1172 N GLU A 80 87.198 -9.729 -5.491 1.00 1.00 N ATOM 1173 CA GLU A 80 86.304 -10.523 -6.383 1.00 1.00 C ATOM 1174 C GLU A 80 85.250 -9.606 -7.010 1.00 1.00 C ATOM 1175 O GLU A 80 85.145 -9.503 -8.216 1.00 1.00 O ATOM 1176 CB GLU A 80 85.614 -11.619 -5.564 1.00 1.00 C ATOM 1177 CG GLU A 80 85.120 -12.722 -6.502 1.00 1.00 C ATOM 1178 CD GLU A 80 84.377 -13.787 -5.692 1.00 1.00 C ATOM 1179 OE1 GLU A 80 84.875 -14.158 -4.642 1.00 1.00 O ATOM 1180 OE2 GLU A 80 83.323 -14.212 -6.135 1.00 1.00 O ATOM 0 H GLU A 80 86.908 -9.681 -4.514 1.00 1.00 H new ATOM 0 HA GLU A 80 86.896 -10.979 -7.176 1.00 1.00 H new ATOM 0 HB2 GLU A 80 86.308 -12.033 -4.833 1.00 1.00 H new ATOM 0 HB3 GLU A 80 84.777 -11.199 -5.007 1.00 1.00 H new ATOM 0 HG2 GLU A 80 84.460 -12.301 -7.260 1.00 1.00 H new ATOM 0 HG3 GLU A 80 85.963 -13.172 -7.027 1.00 1.00 H new ATOM 1187 N LEU A 81 84.466 -8.943 -6.205 1.00 1.00 N ATOM 1188 CA LEU A 81 83.419 -8.038 -6.763 1.00 1.00 C ATOM 1189 C LEU A 81 84.080 -6.784 -7.345 1.00 1.00 C ATOM 1190 O LEU A 81 83.472 -5.737 -7.438 1.00 1.00 O ATOM 1191 CB LEU A 81 82.444 -7.637 -5.649 1.00 1.00 C ATOM 1192 CG LEU A 81 81.390 -8.732 -5.471 1.00 1.00 C ATOM 1193 CD1 LEU A 81 80.506 -8.797 -6.718 1.00 1.00 C ATOM 1194 CD2 LEU A 81 82.086 -10.080 -5.270 1.00 1.00 C ATOM 0 H LEU A 81 84.504 -8.988 -5.187 1.00 1.00 H new ATOM 0 HA LEU A 81 82.874 -8.556 -7.552 1.00 1.00 H new ATOM 0 HB2 LEU A 81 82.986 -7.484 -4.715 1.00 1.00 H new ATOM 0 HB3 LEU A 81 81.962 -6.691 -5.897 1.00 1.00 H new ATOM 0 HG LEU A 81 80.774 -8.506 -4.600 1.00 1.00 H new ATOM 0 HD11 LEU A 81 79.755 -9.577 -6.591 1.00 1.00 H new ATOM 0 HD12 LEU A 81 80.011 -7.837 -6.863 1.00 1.00 H new ATOM 0 HD13 LEU A 81 81.121 -9.024 -7.589 1.00 1.00 H new ATOM 0 HD21 LEU A 81 81.336 -10.861 -5.143 1.00 1.00 H new ATOM 0 HD22 LEU A 81 82.701 -10.305 -6.141 1.00 1.00 H new ATOM 0 HD23 LEU A 81 82.717 -10.035 -4.382 1.00 1.00 H new ATOM 1206 N ALA A 82 85.321 -6.882 -7.739 1.00 1.00 N ATOM 1207 CA ALA A 82 86.020 -5.696 -8.314 1.00 1.00 C ATOM 1208 C ALA A 82 85.215 -5.131 -9.487 1.00 1.00 C ATOM 1209 O ALA A 82 85.607 -4.162 -10.106 1.00 1.00 O ATOM 1210 CB ALA A 82 87.406 -6.114 -8.810 1.00 1.00 C ATOM 0 H ALA A 82 85.882 -7.733 -7.688 1.00 1.00 H new ATOM 0 HA ALA A 82 86.117 -4.932 -7.543 1.00 1.00 H new ATOM 0 HB1 ALA A 82 87.918 -5.249 -9.231 1.00 1.00 H new ATOM 0 HB2 ALA A 82 87.987 -6.510 -7.977 1.00 1.00 H new ATOM 0 HB3 ALA A 82 87.302 -6.882 -9.577 1.00 1.00 H new ATOM 1216 N GLN A 83 84.094 -5.728 -9.801 1.00 1.00 N ATOM 1217 CA GLN A 83 83.265 -5.228 -10.938 1.00 1.00 C ATOM 1218 C GLN A 83 81.834 -4.981 -10.452 1.00 1.00 C ATOM 1219 O GLN A 83 81.407 -5.519 -9.450 1.00 1.00 O ATOM 1220 CB GLN A 83 83.260 -6.279 -12.060 1.00 1.00 C ATOM 1221 CG GLN A 83 83.865 -5.675 -13.329 1.00 1.00 C ATOM 1222 CD GLN A 83 85.345 -5.368 -13.094 1.00 1.00 C ATOM 1223 OE1 GLN A 83 86.118 -6.251 -12.779 1.00 1.00 O ATOM 1224 NE2 GLN A 83 85.775 -4.144 -13.235 1.00 1.00 N ATOM 0 H GLN A 83 83.716 -6.543 -9.317 1.00 1.00 H new ATOM 0 HA GLN A 83 83.681 -4.295 -11.318 1.00 1.00 H new ATOM 0 HB2 GLN A 83 83.831 -7.156 -11.754 1.00 1.00 H new ATOM 0 HB3 GLN A 83 82.241 -6.614 -12.254 1.00 1.00 H new ATOM 0 HG2 GLN A 83 83.755 -6.369 -14.163 1.00 1.00 H new ATOM 0 HG3 GLN A 83 83.332 -4.763 -13.600 1.00 1.00 H new ATOM 0 HE21 GLN A 83 85.126 -3.403 -13.499 1.00 1.00 H new ATOM 0 HE22 GLN A 83 86.760 -3.929 -13.081 1.00 1.00 H new ATOM 1233 N TYR A 84 81.089 -4.170 -11.152 1.00 1.00 N ATOM 1234 CA TYR A 84 79.690 -3.892 -10.723 1.00 1.00 C ATOM 1235 C TYR A 84 79.702 -3.356 -9.289 1.00 1.00 C ATOM 1236 O TYR A 84 78.669 -3.129 -8.691 1.00 1.00 O ATOM 1237 CB TYR A 84 78.871 -5.188 -10.784 1.00 1.00 C ATOM 1238 CG TYR A 84 79.394 -6.062 -11.898 1.00 1.00 C ATOM 1239 CD1 TYR A 84 79.608 -5.520 -13.171 1.00 1.00 C ATOM 1240 CD2 TYR A 84 79.664 -7.415 -11.659 1.00 1.00 C ATOM 1241 CE1 TYR A 84 80.093 -6.331 -14.205 1.00 1.00 C ATOM 1242 CE2 TYR A 84 80.149 -8.226 -12.692 1.00 1.00 C ATOM 1243 CZ TYR A 84 80.363 -7.684 -13.965 1.00 1.00 C ATOM 1244 OH TYR A 84 80.841 -8.483 -14.984 1.00 1.00 O ATOM 0 H TYR A 84 81.388 -3.689 -12.000 1.00 1.00 H new ATOM 0 HA TYR A 84 79.241 -3.152 -11.385 1.00 1.00 H new ATOM 0 HB2 TYR A 84 78.935 -5.716 -9.833 1.00 1.00 H new ATOM 0 HB3 TYR A 84 77.819 -4.958 -10.951 1.00 1.00 H new ATOM 0 HD1 TYR A 84 79.399 -4.477 -13.356 1.00 1.00 H new ATOM 0 HD2 TYR A 84 79.498 -7.833 -10.677 1.00 1.00 H new ATOM 0 HE1 TYR A 84 80.259 -5.913 -15.187 1.00 1.00 H new ATOM 0 HE2 TYR A 84 80.358 -9.269 -12.507 1.00 1.00 H new ATOM 0 HH TYR A 84 80.977 -9.394 -14.649 1.00 1.00 H new ATOM 1254 N GLY A 85 80.867 -3.153 -8.735 1.00 1.00 N ATOM 1255 CA GLY A 85 80.958 -2.634 -7.338 1.00 1.00 C ATOM 1256 C GLY A 85 82.132 -1.660 -7.233 1.00 1.00 C ATOM 1257 O GLY A 85 82.215 -0.875 -6.314 1.00 1.00 O ATOM 0 H GLY A 85 81.763 -3.325 -9.191 1.00 1.00 H new ATOM 0 HA2 GLY A 85 80.030 -2.133 -7.063 1.00 1.00 H new ATOM 0 HA3 GLY A 85 81.093 -3.460 -6.640 1.00 1.00 H new ATOM 1261 N ILE A 86 83.034 -1.706 -8.179 1.00 1.00 N ATOM 1262 CA ILE A 86 84.212 -0.785 -8.164 1.00 1.00 C ATOM 1263 C ILE A 86 85.221 -1.241 -7.098 1.00 1.00 C ATOM 1264 O ILE A 86 86.414 -1.067 -7.253 1.00 1.00 O ATOM 1265 CB ILE A 86 83.742 0.666 -7.896 1.00 1.00 C ATOM 1266 CG1 ILE A 86 84.324 1.594 -8.965 1.00 1.00 C ATOM 1267 CG2 ILE A 86 84.227 1.114 -6.516 1.00 1.00 C ATOM 1268 CD1 ILE A 86 85.841 1.683 -8.794 1.00 1.00 C ATOM 0 H ILE A 86 83.005 -2.349 -8.970 1.00 1.00 H new ATOM 0 HA ILE A 86 84.705 -0.813 -9.136 1.00 1.00 H new ATOM 0 HB ILE A 86 82.653 0.707 -7.929 1.00 1.00 H new ATOM 0 HG12 ILE A 86 84.081 1.218 -9.959 1.00 1.00 H new ATOM 0 HG13 ILE A 86 83.879 2.586 -8.882 1.00 1.00 H new ATOM 0 HG21 ILE A 86 83.896 2.135 -6.328 1.00 1.00 H new ATOM 0 HG22 ILE A 86 83.815 0.453 -5.753 1.00 1.00 H new ATOM 0 HG23 ILE A 86 85.316 1.073 -6.482 1.00 1.00 H new ATOM 0 HD11 ILE A 86 86.255 2.344 -9.556 1.00 1.00 H new ATOM 0 HD12 ILE A 86 86.073 2.079 -7.805 1.00 1.00 H new ATOM 0 HD13 ILE A 86 86.278 0.690 -8.899 1.00 1.00 H new ATOM 1280 N CYS A 87 84.762 -1.821 -6.022 1.00 1.00 N ATOM 1281 CA CYS A 87 85.714 -2.277 -4.967 1.00 1.00 C ATOM 1282 C CYS A 87 86.392 -3.573 -5.417 1.00 1.00 C ATOM 1283 CB CYS A 87 84.958 -2.527 -3.660 1.00 1.00 C ATOM 1284 SG CYS A 87 83.413 -3.403 -4.011 1.00 1.00 S ATOM 0 H CYS A 87 83.776 -1.998 -5.828 1.00 1.00 H new ATOM 0 HA CYS A 87 86.468 -1.506 -4.806 1.00 1.00 H new ATOM 0 HB2 CYS A 87 85.574 -3.114 -2.978 1.00 1.00 H new ATOM 0 HB3 CYS A 87 84.746 -1.580 -3.164 1.00 1.00 H new TER 1289 CYS A 87 HETATM 1290 C1C RCY A 110 58.663 -8.613 2.692 1.00 1.00 C HETATM 1291 O1G RCY A 110 59.415 -11.233 6.950 1.00 1.00 O HETATM 1292 O1H RCY A 110 58.827 -11.972 2.323 1.00 1.00 O HETATM 1293 O1J RCY A 110 56.970 -6.418 3.870 1.00 1.00 O HETATM 1294 C1L RCY A 110 60.349 -12.864 5.382 1.00 1.00 C HETATM 1295 C1M RCY A 110 57.126 -9.677 5.885 1.00 1.00 C HETATM 1296 C1P RCY A 110 59.455 -11.692 5.809 1.00 1.00 C HETATM 1297 C1Q RCY A 110 58.972 -12.148 3.532 1.00 1.00 C HETATM 1298 N1R RCY A 110 58.621 -11.166 4.642 1.00 1.00 N HETATM 1299 C1S RCY A 110 59.538 -13.391 4.193 1.00 1.00 C HETATM 1300 C1U RCY A 110 57.675 -9.965 4.591 1.00 1.00 C HETATM 1301 C1V RCY A 110 59.649 -8.438 5.021 1.00 1.00 C HETATM 1302 N1V RCY A 110 57.314 -7.652 4.571 1.00 1.00 N HETATM 1303 C1W RCY A 110 56.681 -8.210 5.844 1.00 1.00 C HETATM 1304 C1X RCY A 110 58.382 -8.670 4.195 1.00 1.00 C HETATM 1305 C1Y RCY A 110 57.198 -7.456 7.073 1.00 1.00 C HETATM 1306 C1Z RCY A 110 55.161 -8.093 5.741 1.00 1.00 C HETATM 0 H1ZB RCY A 110 54.819 -8.584 4.830 1.00 1.00 H new HETATM 0 H1ZA RCY A 110 54.700 -8.571 6.605 1.00 1.00 H new HETATM 0 H1YB RCY A 110 56.803 -7.920 7.977 1.00 1.00 H new HETATM 0 H1MA RCY A 110 56.284 -10.333 6.105 1.00 1.00 H new HETATM 0 H1LA RCY A 110 61.350 -12.543 5.095 1.00 1.00 H new HETATM 0 H1CB RCY A 110 59.300 -9.451 2.409 1.00 1.00 H new HETATM 0 H1CA RCY A 110 57.723 -8.671 2.144 1.00 1.00 H new HETATM 0 H1Z RCY A 110 54.878 -7.041 5.714 1.00 1.00 H new HETATM 0 H1U RCY A 110 56.919 -10.250 3.859 1.00 1.00 H new HETATM 0 H1S RCY A 110 58.744 -14.062 4.521 1.00 1.00 H new HETATM 0 H1M RCY A 110 57.868 -9.837 6.667 1.00 1.00 H new HETATM 0 H1L RCY A 110 60.467 -13.608 6.170 1.00 1.00 H new HETATM 1309 C1C RCY A 121 65.292 4.907 -10.122 1.00 1.00 C HETATM 1310 O1G RCY A 121 68.606 2.286 -12.084 1.00 1.00 O HETATM 1311 O1H RCY A 121 64.063 2.200 -10.800 1.00 1.00 O HETATM 1312 O1J RCY A 121 63.335 3.219 -8.576 1.00 1.00 O HETATM 1313 C1L RCY A 121 66.562 1.541 -13.205 1.00 1.00 C HETATM 1314 C1M RCY A 121 66.995 2.081 -8.446 1.00 1.00 C HETATM 1315 C1P RCY A 121 67.390 2.103 -12.042 1.00 1.00 C HETATM 1316 C1Q RCY A 121 65.155 1.894 -11.275 1.00 1.00 C HETATM 1317 N1R RCY A 121 66.518 2.406 -10.826 1.00 1.00 N HETATM 1318 C1S RCY A 121 65.393 0.931 -12.424 1.00 1.00 C HETATM 1319 C1U RCY A 121 66.902 3.056 -9.495 1.00 1.00 C HETATM 1320 C1V RCY A 121 66.374 4.888 -7.829 1.00 1.00 C HETATM 1321 N1V RCY A 121 64.786 3.070 -8.496 1.00 1.00 N HETATM 1322 C1W RCY A 121 65.574 1.906 -7.897 1.00 1.00 C HETATM 1323 C1X RCY A 121 65.849 4.041 -8.990 1.00 1.00 C HETATM 1324 C1Y RCY A 121 65.573 1.989 -6.368 1.00 1.00 C HETATM 1325 C1Z RCY A 121 64.955 0.589 -8.367 1.00 1.00 C HETATM 0 H1ZB RCY A 121 64.910 0.576 -9.456 1.00 1.00 H new HETATM 0 H1ZA RCY A 121 65.566 -0.244 -8.020 1.00 1.00 H new HETATM 0 H1YB RCY A 121 66.208 1.202 -5.961 1.00 1.00 H new HETATM 0 H1YA RCY A 121 65.954 2.961 -6.056 1.00 1.00 H new HETATM 0 H1VB RCY A 121 67.173 5.539 -8.185 1.00 1.00 H new HETATM 0 H1VA RCY A 121 65.564 5.496 -7.426 1.00 1.00 H new HETATM 0 H1MA RCY A 121 67.385 1.137 -8.826 1.00 1.00 H new HETATM 0 H1LA RCY A 121 66.240 2.316 -13.901 1.00 1.00 H new HETATM 0 H1CB RCY A 121 66.102 5.476 -10.577 1.00 1.00 H new HETATM 0 H1CA RCY A 121 64.830 4.269 -10.875 1.00 1.00 H new HETATM 0 H1Z RCY A 121 63.948 0.495 -7.961 1.00 1.00 H new HETATM 0 H1Y RCY A 121 64.556 1.863 -5.997 1.00 1.00 H new HETATM 0 H1V RCY A 121 66.760 4.234 -7.047 1.00 1.00 H new HETATM 0 H1U RCY A 121 67.850 3.553 -9.702 1.00 1.00 H new HETATM 0 H1S RCY A 121 65.637 -0.067 -12.060 1.00 1.00 H new HETATM 0 H1M RCY A 121 67.676 2.415 -7.663 1.00 1.00 H new HETATM 0 H1L RCY A 121 67.109 0.798 -13.786 1.00 1.00 H new HETATM 0 H1C RCY A 121 64.546 5.594 -9.722 1.00 1.00 H new HETATM 1328 C1C RCY A 130 73.749 8.094 -7.920 1.00 1.00 C HETATM 1329 O1G RCY A 130 75.707 13.029 -6.445 1.00 1.00 O HETATM 1330 O1H RCY A 130 73.996 10.115 -9.743 1.00 1.00 O HETATM 1331 O1J RCY A 130 73.380 6.933 -5.166 1.00 1.00 O HETATM 1332 C1L RCY A 130 75.105 13.331 -8.797 1.00 1.00 C HETATM 1333 C1M RCY A 130 74.867 10.465 -5.308 1.00 1.00 C HETATM 1334 C1P RCY A 130 75.308 12.538 -7.500 1.00 1.00 C HETATM 1335 C1Q RCY A 130 74.642 10.991 -9.170 1.00 1.00 C HETATM 1336 N1R RCY A 130 74.955 11.063 -7.681 1.00 1.00 N HETATM 1337 C1S RCY A 130 75.278 12.205 -9.822 1.00 1.00 C HETATM 1338 C1U RCY A 130 74.920 9.940 -6.642 1.00 1.00 C HETATM 1339 C1V RCY A 130 72.393 9.921 -6.801 1.00 1.00 C HETATM 1340 N1V RCY A 130 73.744 8.323 -5.426 1.00 1.00 N HETATM 1341 C1W RCY A 130 74.288 9.347 -4.432 1.00 1.00 C HETATM 1342 C1X RCY A 130 73.666 9.074 -6.747 1.00 1.00 C HETATM 1343 C1Y RCY A 130 73.160 9.886 -3.547 1.00 1.00 C HETATM 1344 C1Z RCY A 130 75.374 8.690 -3.580 1.00 1.00 C HETATM 0 H1ZB RCY A 130 76.137 8.261 -4.230 1.00 1.00 H new HETATM 0 H1ZA RCY A 130 75.829 9.438 -2.931 1.00 1.00 H new HETATM 0 H1YB RCY A 130 73.548 10.674 -2.902 1.00 1.00 H new HETATM 0 H1YA RCY A 130 72.366 10.289 -4.175 1.00 1.00 H new HETATM 0 H1VB RCY A 130 72.377 10.495 -7.727 1.00 1.00 H new HETATM 0 H1VA RCY A 130 71.520 9.269 -6.763 1.00 1.00 H new HETATM 0 H1MA RCY A 130 75.860 10.755 -4.964 1.00 1.00 H new HETATM 0 H1LA RCY A 130 74.121 13.798 -8.851 1.00 1.00 H new HETATM 0 H1CB RCY A 130 73.860 8.650 -8.851 1.00 1.00 H new HETATM 0 H1CA RCY A 130 74.608 7.437 -7.785 1.00 1.00 H new HETATM 0 H1Z RCY A 130 74.931 7.902 -2.971 1.00 1.00 H new HETATM 0 H1Y RCY A 130 72.762 9.078 -2.933 1.00 1.00 H new HETATM 0 H1V RCY A 130 72.373 10.603 -5.951 1.00 1.00 H new HETATM 0 H1U RCY A 130 75.824 9.363 -6.839 1.00 1.00 H new HETATM 0 H1M RCY A 130 74.242 11.357 -5.265 1.00 1.00 H new HETATM 0 H1L RCY A 130 75.842 14.125 -8.921 1.00 1.00 H new HETATM 0 H1C RCY A 130 72.838 7.497 -7.960 1.00 1.00 H new HETATM 1347 C1C RCY A 138 82.538 5.197 -3.039 1.00 1.00 C HETATM 1348 O1G RCY A 138 81.905 7.390 -1.447 1.00 1.00 O HETATM 1349 O1H RCY A 138 86.329 7.419 0.205 1.00 1.00 O HETATM 1350 O1J RCY A 138 83.025 2.236 -2.786 1.00 1.00 O HETATM 1351 C1L RCY A 138 83.253 9.079 -0.298 1.00 1.00 C HETATM 1352 C1M RCY A 138 84.840 4.455 -0.238 1.00 1.00 C HETATM 1353 C1P RCY A 138 82.963 7.698 -0.900 1.00 1.00 C HETATM 1354 C1Q RCY A 138 85.117 7.593 0.090 1.00 1.00 C HETATM 1355 N1R RCY A 138 84.152 6.752 -0.736 1.00 1.00 N HETATM 1356 C1S RCY A 138 84.304 8.693 0.749 1.00 1.00 C HETATM 1357 C1U RCY A 138 84.336 5.327 -1.261 1.00 1.00 C HETATM 1358 C1V RCY A 138 81.945 4.815 -0.604 1.00 1.00 C HETATM 1359 N1V RCY A 138 83.462 3.224 -1.803 1.00 1.00 N HETATM 1360 C1W RCY A 138 84.465 3.031 -0.667 1.00 1.00 C HETATM 1361 C1X RCY A 138 83.020 4.676 -1.683 1.00 1.00 C HETATM 1362 C1Y RCY A 138 83.818 2.272 0.495 1.00 1.00 C HETATM 1363 C1Z RCY A 138 85.681 2.272 -1.197 1.00 1.00 C HETATM 0 H1ZB RCY A 138 86.090 2.797 -2.060 1.00 1.00 H new HETATM 0 H1ZA RCY A 138 86.440 2.210 -0.417 1.00 1.00 H new HETATM 0 H1YB RCY A 138 84.518 2.217 1.328 1.00 1.00 H new HETATM 0 H1YA RCY A 138 82.916 2.794 0.813 1.00 1.00 H new HETATM 0 H1VB RCY A 138 81.677 5.865 -0.490 1.00 1.00 H new HETATM 0 H1VA RCY A 138 81.062 4.245 -0.894 1.00 1.00 H new HETATM 0 H1MA RCY A 138 85.920 4.559 -0.135 1.00 1.00 H new HETATM 0 H1LA RCY A 138 83.638 9.783 -1.036 1.00 1.00 H new HETATM 0 H1CB RCY A 138 82.384 6.274 -2.981 1.00 1.00 H new HETATM 0 H1Z RCY A 138 85.382 1.266 -1.493 1.00 1.00 H new HETATM 0 H1Y RCY A 138 83.559 1.264 0.172 1.00 1.00 H new HETATM 0 H1V RCY A 138 82.328 4.434 0.343 1.00 1.00 H new HETATM 0 H1U RCY A 138 85.018 5.437 -2.104 1.00 1.00 H new HETATM 0 H1S RCY A 138 83.836 8.343 1.669 1.00 1.00 H new HETATM 0 H1M RCY A 138 84.403 4.698 0.731 1.00 1.00 H new HETATM 0 H1L RCY A 138 82.368 9.535 0.147 1.00 1.00 H new HETATM 0 H1C RCY A 138 81.600 4.710 -3.303 1.00 1.00 H new HETATM 1366 C1C RCY A 150 79.953 2.870 5.941 1.00 1.00 C HETATM 1367 O1G RCY A 150 78.130 4.575 6.881 1.00 1.00 O HETATM 1368 O1H RCY A 150 75.858 1.225 9.313 1.00 1.00 O HETATM 1369 O1J RCY A 150 80.801 0.230 4.765 1.00 1.00 O HETATM 1370 C1L RCY A 150 76.188 4.612 8.369 1.00 1.00 C HETATM 1371 C1M RCY A 150 77.747 0.127 7.082 1.00 1.00 C HETATM 1372 C1P RCY A 150 77.330 3.957 7.582 1.00 1.00 C HETATM 1373 C1Q RCY A 150 76.104 2.212 8.621 1.00 1.00 C HETATM 1374 N1R RCY A 150 77.351 2.442 7.777 1.00 1.00 N HETATM 1375 C1S RCY A 150 75.215 3.430 8.450 1.00 1.00 C HETATM 1376 C1U RCY A 150 78.359 1.412 7.262 1.00 1.00 C HETATM 1377 C1V RCY A 150 77.782 2.088 4.891 1.00 1.00 C HETATM 1378 N1V RCY A 150 79.560 0.435 5.507 1.00 1.00 N HETATM 1379 C1W RCY A 150 78.630 -0.631 6.084 1.00 1.00 C HETATM 1380 C1X RCY A 150 78.904 1.758 5.877 1.00 1.00 C HETATM 1381 C1Y RCY A 150 77.777 -1.255 4.976 1.00 1.00 C HETATM 1382 C1Z RCY A 150 79.469 -1.700 6.785 1.00 1.00 C HETATM 0 H1ZB RCY A 150 80.112 -1.228 7.528 1.00 1.00 H new HETATM 0 H1ZA RCY A 150 78.810 -2.415 7.277 1.00 1.00 H new HETATM 0 H1YB RCY A 150 77.063 -1.951 5.415 1.00 1.00 H new HETATM 0 H1YA RCY A 150 77.239 -0.470 4.445 1.00 1.00 H new HETATM 0 H1VB RCY A 150 77.285 3.008 5.200 1.00 1.00 H new HETATM 0 H1VA RCY A 150 78.201 2.219 3.893 1.00 1.00 H new HETATM 0 H1MA RCY A 150 77.681 -0.409 8.029 1.00 1.00 H new HETATM 0 H1LA RCY A 150 76.505 4.960 9.352 1.00 1.00 H new HETATM 0 H1CB RCY A 150 79.506 3.768 6.367 1.00 1.00 H new HETATM 0 H1CA RCY A 150 80.786 2.549 6.566 1.00 1.00 H new HETATM 0 H1Z RCY A 150 80.084 -2.220 6.050 1.00 1.00 H new HETATM 0 H1Y RCY A 150 78.422 -1.789 4.278 1.00 1.00 H new HETATM 0 H1V RCY A 150 77.059 1.273 4.876 1.00 1.00 H new HETATM 0 H1U RCY A 150 79.148 1.408 8.015 1.00 1.00 H new HETATM 0 H1S RCY A 150 74.608 3.354 7.548 1.00 1.00 H new HETATM 0 H1M RCY A 150 76.730 0.230 6.703 1.00 1.00 H new HETATM 0 H1L RCY A 150 75.761 5.470 7.849 1.00 1.00 H new HETATM 0 H1C RCY A 150 80.316 3.086 4.936 1.00 1.00 H new HETATM 1385 C1C RCY A 160 66.037 0.833 -1.412 1.00 1.00 C HETATM 1386 O1G RCY A 160 69.112 5.003 -3.330 1.00 1.00 O HETATM 1387 O1H RCY A 160 66.899 2.837 0.236 1.00 1.00 O HETATM 1388 O1J RCY A 160 66.541 -1.175 -3.599 1.00 1.00 O HETATM 1389 C1L RCY A 160 68.813 5.551 -0.964 1.00 1.00 C HETATM 1390 C1M RCY A 160 68.360 2.183 -3.956 1.00 1.00 C HETATM 1391 C1P RCY A 160 68.620 4.720 -2.238 1.00 1.00 C HETATM 1392 C1Q RCY A 160 67.327 3.698 -0.532 1.00 1.00 C HETATM 1393 N1R RCY A 160 67.742 3.496 -1.984 1.00 1.00 N HETATM 1394 C1S RCY A 160 67.540 5.164 -0.203 1.00 1.00 C HETATM 1395 C1U RCY A 160 67.368 2.357 -2.934 1.00 1.00 C HETATM 1396 C1V RCY A 160 68.570 0.736 -1.405 1.00 1.00 C HETATM 1397 N1V RCY A 160 67.282 0.075 -3.448 1.00 1.00 N HETATM 1398 C1W RCY A 160 68.197 0.747 -4.470 1.00 1.00 C HETATM 1399 C1X RCY A 160 67.314 0.998 -2.238 1.00 1.00 C HETATM 1400 C1Y RCY A 160 69.552 0.037 -4.524 1.00 1.00 C HETATM 1401 C1Z RCY A 160 67.521 0.721 -5.841 1.00 1.00 C HETATM 0 H1ZB RCY A 160 66.534 1.177 -5.769 1.00 1.00 H new HETATM 0 H1ZA RCY A 160 68.127 1.278 -6.556 1.00 1.00 H new HETATM 0 H1YB RCY A 160 70.220 0.578 -5.194 1.00 1.00 H new HETATM 0 H1YA RCY A 160 69.987 0.007 -3.525 1.00 1.00 H new HETATM 0 H1MA RCY A 160 68.219 2.903 -4.762 1.00 1.00 H new HETATM 0 H1LA RCY A 160 69.720 5.282 -0.424 1.00 1.00 H new HETATM 0 H1CB RCY A 160 65.994 1.610 -0.649 1.00 1.00 H new HETATM 0 H1CA RCY A 160 65.168 0.918 -2.065 1.00 1.00 H new HETATM 0 H1Z RCY A 160 67.420 -0.311 -6.177 1.00 1.00 H new HETATM 0 H1V RCY A 160 69.454 0.864 -2.030 1.00 1.00 H new HETATM 0 H1U RCY A 160 66.393 2.645 -3.328 1.00 1.00 H new HETATM 0 H1S RCY A 160 66.690 5.769 -0.519 1.00 1.00 H new HETATM 0 H1M RCY A 160 69.362 2.342 -3.557 1.00 1.00 H new HETATM 0 H1L RCY A 160 68.869 6.620 -1.168 1.00 1.00 H new HETATM 0 H1C RCY A 160 66.037 -0.146 -0.933 1.00 1.00 H new HETATM 1404 C1C RCY A 168 69.952 1.990 -1.677 1.00 1.00 C HETATM 1405 O1G RCY A 168 72.088 0.610 -0.174 1.00 1.00 O HETATM 1406 O1H RCY A 168 69.579 -3.364 -0.634 1.00 1.00 O HETATM 1407 O1J RCY A 168 67.899 2.121 -3.876 1.00 1.00 O HETATM 1408 C1L RCY A 168 72.002 -1.473 1.106 1.00 1.00 C HETATM 1409 C1M RCY A 168 68.838 -1.396 -2.670 1.00 1.00 C HETATM 1410 C1P RCY A 168 71.585 -0.499 -0.003 1.00 1.00 C HETATM 1411 C1Q RCY A 168 70.159 -2.389 -0.158 1.00 1.00 C HETATM 1412 N1R RCY A 168 70.467 -1.077 -0.869 1.00 1.00 N HETATM 1413 C1S RCY A 168 70.703 -2.272 1.255 1.00 1.00 C HETATM 1414 C1U RCY A 168 69.817 -0.498 -2.127 1.00 1.00 C HETATM 1415 C1V RCY A 168 68.074 0.618 -0.669 1.00 1.00 C HETATM 1416 N1V RCY A 168 68.245 0.901 -3.151 1.00 1.00 N HETATM 1417 C1W RCY A 168 67.899 -0.538 -3.527 1.00 1.00 C HETATM 1418 C1X RCY A 168 69.030 0.782 -1.852 1.00 1.00 C HETATM 1419 C1Y RCY A 168 66.436 -0.842 -3.192 1.00 1.00 C HETATM 1420 C1Z RCY A 168 68.164 -0.744 -5.018 1.00 1.00 C HETATM 0 H1ZA RCY A 168 68.006 -1.792 -5.274 1.00 1.00 H new HETATM 0 H1YB RCY A 168 66.229 -1.894 -3.387 1.00 1.00 H new HETATM 0 H1YA RCY A 168 66.251 -0.625 -2.140 1.00 1.00 H new HETATM 0 H1MA RCY A 168 69.312 -2.172 -3.270 1.00 1.00 H new HETATM 0 H1LA RCY A 168 72.846 -2.099 0.816 1.00 1.00 H new HETATM 0 H1CB RCY A 168 70.625 1.816 -0.837 1.00 1.00 H new HETATM 0 H1CA RCY A 168 70.536 2.137 -2.586 1.00 1.00 H new HETATM 0 H1U RCY A 168 70.653 -0.318 -2.803 1.00 1.00 H new HETATM 0 H1S RCY A 168 69.997 -1.762 1.910 1.00 1.00 H new HETATM 0 H1M RCY A 168 68.288 -1.899 -1.875 1.00 1.00 H new HETATM 0 H1L RCY A 168 72.285 -0.962 2.026 1.00 1.00 H new HETATM 0 H1C RCY A 168 69.353 2.880 -1.483 1.00 1.00 H new HETATM 1423 C1C RCY A 173 74.972 -3.212 -3.633 1.00 1.00 C HETATM 1424 O1G RCY A 173 74.361 -6.217 -2.972 1.00 1.00 O HETATM 1425 O1H RCY A 173 78.410 -5.977 -0.554 1.00 1.00 O HETATM 1426 O1J RCY A 173 75.608 -0.468 -2.567 1.00 1.00 O HETATM 1427 C1L RCY A 173 76.082 -7.866 -2.419 1.00 1.00 C HETATM 1428 C1M RCY A 173 77.001 -3.414 -0.545 1.00 1.00 C HETATM 1429 C1P RCY A 173 75.445 -6.471 -2.449 1.00 1.00 C HETATM 1430 C1Q RCY A 173 77.563 -6.253 -1.402 1.00 1.00 C HETATM 1431 N1R RCY A 173 76.324 -5.436 -1.748 1.00 1.00 N HETATM 1432 C1S RCY A 173 77.560 -7.477 -2.299 1.00 1.00 C HETATM 1433 C1U RCY A 173 76.044 -3.959 -1.464 1.00 1.00 C HETATM 1434 C1V RCY A 173 77.497 -3.339 -3.442 1.00 1.00 C HETATM 1435 N1V RCY A 173 76.203 -1.701 -2.059 1.00 1.00 N HETATM 1436 C1W RCY A 173 76.984 -1.896 -0.761 1.00 1.00 C HETATM 1437 C1X RCY A 173 76.182 -3.080 -2.705 1.00 1.00 C HETATM 1438 C1Y RCY A 173 78.410 -1.357 -0.909 1.00 1.00 C HETATM 1439 C1Z RCY A 173 76.253 -1.181 0.375 1.00 1.00 C HETATM 0 H1ZB RCY A 173 75.223 -1.535 0.425 1.00 1.00 H new HETATM 0 H1ZA RCY A 173 76.755 -1.391 1.320 1.00 1.00 H new HETATM 0 H1YB RCY A 173 78.978 -1.579 -0.006 1.00 1.00 H new HETATM 0 H1YA RCY A 173 78.891 -1.830 -1.765 1.00 1.00 H new HETATM 0 H1VB RCY A 173 77.491 -4.349 -3.853 1.00 1.00 H new HETATM 0 H1VA RCY A 173 77.608 -2.618 -4.252 1.00 1.00 H new HETATM 0 H1MA RCY A 173 76.740 -3.664 0.483 1.00 1.00 H new HETATM 0 H1LA RCY A 173 75.738 -8.464 -1.575 1.00 1.00 H new HETATM 0 H1CB RCY A 173 74.873 -4.248 -3.957 1.00 1.00 H new HETATM 0 H1CA RCY A 173 74.070 -2.911 -3.100 1.00 1.00 H new HETATM 0 H1Z RCY A 173 76.259 -0.107 0.192 1.00 1.00 H new HETATM 0 H1Y RCY A 173 78.377 -0.278 -1.061 1.00 1.00 H new HETATM 0 H1V RCY A 173 78.330 -3.235 -2.747 1.00 1.00 H new HETATM 0 H1U RCY A 173 75.025 -3.948 -1.077 1.00 1.00 H new HETATM 0 H1S RCY A 173 77.992 -7.254 -3.275 1.00 1.00 H new HETATM 0 H1M RCY A 173 77.995 -3.822 -0.730 1.00 1.00 H new HETATM 0 H1L RCY A 173 75.873 -8.440 -3.322 1.00 1.00 H new HETATM 0 H1C RCY A 173 75.110 -2.571 -4.504 1.00 1.00 H new HETATM 1442 C1C RCY A 176 76.796 -5.821 4.527 1.00 1.00 C HETATM 1443 O1G RCY A 176 77.683 -4.253 3.336 1.00 1.00 O HETATM 1444 O1H RCY A 176 81.926 -5.291 5.130 1.00 1.00 O HETATM 1445 O1J RCY A 176 78.011 -8.524 3.995 1.00 1.00 O HETATM 1446 C1L RCY A 176 79.969 -3.928 2.526 1.00 1.00 C HETATM 1447 C1M RCY A 176 79.708 -6.435 6.727 1.00 1.00 C HETATM 1448 C1P RCY A 176 78.893 -4.356 3.532 1.00 1.00 C HETATM 1449 C1Q RCY A 176 81.000 -4.714 4.563 1.00 1.00 C HETATM 1450 N1R RCY A 176 79.511 -4.927 4.807 1.00 1.00 N HETATM 1451 C1S RCY A 176 81.131 -3.652 3.487 1.00 1.00 C HETATM 1452 C1U RCY A 176 78.822 -5.553 6.022 1.00 1.00 C HETATM 1453 C1V RCY A 176 76.795 -6.820 6.858 1.00 1.00 C HETATM 1454 N1V RCY A 176 78.384 -7.666 5.116 1.00 1.00 N HETATM 1455 C1W RCY A 176 79.605 -7.795 6.025 1.00 1.00 C HETATM 1456 C1X RCY A 176 77.642 -6.444 5.639 1.00 1.00 C HETATM 1457 C1Y RCY A 176 79.395 -8.914 7.048 1.00 1.00 C HETATM 1458 C1Z RCY A 176 80.840 -8.073 5.168 1.00 1.00 C HETATM 0 H1ZB RCY A 176 80.938 -7.298 4.408 1.00 1.00 H new HETATM 0 H1ZA RCY A 176 81.728 -8.076 5.800 1.00 1.00 H new HETATM 0 H1VB RCY A 176 76.313 -5.927 7.256 1.00 1.00 H new HETATM 0 H1VA RCY A 176 76.034 -7.542 6.563 1.00 1.00 H new HETATM 0 H1MA RCY A 176 80.731 -6.060 6.702 1.00 1.00 H new HETATM 0 H1LA RCY A 176 80.201 -4.711 1.804 1.00 1.00 H new HETATM 0 H1CB RCY A 176 76.404 -4.861 4.862 1.00 1.00 H new HETATM 0 H1CA RCY A 176 77.413 -5.672 3.641 1.00 1.00 H new HETATM 0 H1V RCY A 176 77.434 -7.259 7.624 1.00 1.00 H new HETATM 0 H1U RCY A 176 78.503 -4.700 6.621 1.00 1.00 H new HETATM 0 H1S RCY A 176 81.066 -2.649 3.910 1.00 1.00 H new HETATM 0 H1M RCY A 176 79.424 -6.516 7.776 1.00 1.00 H new HETATM 0 H1L RCY A 176 79.680 -3.045 1.956 1.00 1.00 H new HETATM 0 H1C RCY A 176 75.967 -6.486 4.284 1.00 1.00 H new HETATM 1461 C1C RCY A 187 84.573 1.449 -2.688 1.00 1.00 C HETATM 1462 O1G RCY A 187 79.878 -0.382 -1.825 1.00 1.00 O HETATM 1463 O1H RCY A 187 84.140 -0.494 -3.856 1.00 1.00 O HETATM 1464 O1J RCY A 187 84.353 1.832 -5.667 1.00 1.00 O HETATM 1465 C1L RCY A 187 81.300 -2.201 -2.634 1.00 1.00 C HETATM 1466 C1M RCY A 187 81.129 2.386 -3.665 1.00 1.00 C HETATM 1467 C1P RCY A 187 80.916 -0.738 -2.380 1.00 1.00 C HETATM 1468 C1Q RCY A 187 82.965 -0.728 -3.577 1.00 1.00 C HETATM 1469 N1R RCY A 187 81.984 0.222 -2.901 1.00 1.00 N HETATM 1470 C1S RCY A 187 82.222 -2.024 -3.846 1.00 1.00 C HETATM 1471 C1U RCY A 187 82.060 1.746 -2.781 1.00 1.00 C HETATM 1472 C1V RCY A 187 83.574 3.776 -2.804 1.00 1.00 C HETATM 1473 N1V RCY A 187 83.301 2.182 -4.717 1.00 1.00 N HETATM 1474 C1W RCY A 187 81.839 2.504 -5.020 1.00 1.00 C HETATM 1475 C1X RCY A 187 83.417 2.307 -3.204 1.00 1.00 C HETATM 1476 C1Y RCY A 187 81.707 3.925 -5.575 1.00 1.00 C HETATM 1477 C1Z RCY A 187 81.298 1.482 -6.021 1.00 1.00 C HETATM 0 H1ZB RCY A 187 81.455 0.475 -5.634 1.00 1.00 H new HETATM 0 H1ZA RCY A 187 80.232 1.650 -6.173 1.00 1.00 H new HETATM 0 H1YB RCY A 187 80.653 4.168 -5.707 1.00 1.00 H new HETATM 0 H1YA RCY A 187 82.158 4.631 -4.878 1.00 1.00 H new HETATM 0 H1VA RCY A 187 84.502 4.169 -3.219 1.00 1.00 H new HETATM 0 H1MA RCY A 187 80.213 1.802 -3.755 1.00 1.00 H new HETATM 0 H1LA RCY A 187 81.811 -2.652 -1.783 1.00 1.00 H new HETATM 0 H1CB RCY A 187 84.542 1.414 -1.599 1.00 1.00 H new HETATM 0 H1CA RCY A 187 84.482 0.438 -3.086 1.00 1.00 H new HETATM 0 H1Z RCY A 187 81.821 1.591 -6.971 1.00 1.00 H new HETATM 0 H1Y RCY A 187 82.217 3.989 -6.536 1.00 1.00 H new HETATM 0 H1U RCY A 187 81.855 1.944 -1.729 1.00 1.00 H new HETATM 0 H1S RCY A 187 81.652 -1.969 -4.773 1.00 1.00 H new HETATM 0 H1M RCY A 187 80.845 3.368 -3.287 1.00 1.00 H new HETATM 0 H1L RCY A 187 80.436 -2.827 -2.855 1.00 1.00 H new HETATM 0 H1C RCY A 187 85.520 1.882 -3.011 1.00 1.00 H new