USER MOD reduce.3.24.130724 H: found=0, std=0, add=794, 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 73 CYS H : A 73 CYS N : A 173 RCY C1L :(H bumps) USER MOD NoAdj-H: A 110 RCYH1SA : A 110 RCY C1S : A 10 CYS SG :(H bumps) USER MOD NoAdj-H: A 121 RCYH1ZA : A 121 RCY C1Z : A 17 MET CB :(H bumps) USER MOD NoAdj-H: A 121 RCYH1SA : A 121 RCY C1S : A 21 CYS SG :(H bumps) USER MOD NoAdj-H: A 121 RCYH1CA : A 121 RCY C1C : A 17 MET CE :(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 H1L : A 130 RCY C1L : A 30 CYS O :(H bumps) USER MOD NoAdj-H: A 138 RCYH1VB : A 138 RCY C1V : A 187 RCY O1J :(H bumps) USER MOD NoAdj-H: A 138 RCYH1VA : A 138 RCY C1V : A 187 RCY C1W :(H bumps) USER MOD NoAdj-H: A 138 RCYH1SA : A 138 RCY C1S : A 38 CYS SG :(H bumps) USER MOD NoAdj-H: A 138 RCY H1V : A 138 RCY C1V : A 187 RCY C1Z :(H bumps) USER MOD NoAdj-H: A 150 RCYH1YB : A 150 RCY C1Y : A 176 RCY N1V :(H bumps) USER MOD NoAdj-H: A 150 RCYH1YA : A 150 RCY C1Y : A 176 RCY N1V :(H bumps) USER MOD NoAdj-H: A 150 RCYH1SA : A 150 RCY C1S : A 50 CYS SG :(H bumps) USER MOD NoAdj-H: A 150 RCY H1Y : A 150 RCY C1Y : A 176 RCY N1V :(H bumps) USER MOD NoAdj-H: A 160 RCYH1SA : A 160 RCY C1S : A 60 CYS SG :(H bumps) USER MOD NoAdj-H: A 168 RCYH1SA : A 168 RCY C1S : A 68 CYS SG :(H bumps) USER MOD NoAdj-H: A 168 RCYH1CA : A 168 RCY C1C : A 173 RCY C1M :(H bumps) USER MOD NoAdj-H: A 168 RCY H1C : A 168 RCY C1C : A 173 RCY C1M :(H bumps) USER MOD NoAdj-H: A 173 RCYH1SA : A 173 RCY C1S : A 73 CYS SG :(H bumps) USER MOD NoAdj-H: A 173 RCYH1LA : A 173 RCY C1L : A 73 CYS N :(H bumps) USER MOD NoAdj-H: A 173 RCY H1Z : A 173 RCY C1Z : A 67 ILE CG2 :(H bumps) USER MOD NoAdj-H: A 173 RCY H1S : A 173 RCY C1S : A 71 GLU O :(H bumps) USER MOD NoAdj-H: A 173 RCY H1M : A 173 RCY C1M : A 168 RCY C1C :(H bumps) USER MOD NoAdj-H: A 173 RCY H1C : A 173 RCY C1C : A 176 RCY C1V :(H bumps) USER MOD NoAdj-H: A 176 RCYH1YB : A 176 RCY C1Y : A 67 ILE CG2 :(H bumps) USER MOD NoAdj-H: A 176 RCYH1YA : A 176 RCY C1Y : A 173 RCY O1J :(H bumps) USER MOD NoAdj-H: A 176 RCYH1VB : A 176 RCY C1V : A 173 RCY C1C :(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 67 ILE CD1 :(H bumps) USER MOD NoAdj-H: A 176 RCY H1Y : A 176 RCY C1Y : A 67 ILE CG2 :(H bumps) USER MOD NoAdj-H: A 176 RCY H1V : A 176 RCY C1V : A 173 RCY C1C :(H bumps) USER MOD NoAdj-H: A 187 RCYH1ZA : A 187 RCY C1Z : A 138 RCY C1W :(H bumps) USER MOD NoAdj-H: A 187 RCYH1YB : A 187 RCY C1Y : A 138 RCY C1X :(H bumps) USER MOD NoAdj-H: A 187 RCYH1SA : A 187 RCY C1S : A 87 CYS SG :(H bumps) USER MOD NoAdj-H: A 187 RCY H1Z : A 187 RCY C1Z : A 138 RCY C1X :(H bumps) USER MOD NoAdj-H: A 187 RCY H1Y : A 187 RCY C1Y : A 138 RCY C1X :(H bumps) USER MOD NoAdj-H: A 187 RCY H1M : A 187 RCY C1M : A 138 RCY O1J :(H bumps) USER MOD Single : A 1 MET CE :methyl -153:sc= -1.07 (180deg=-2.59) USER MOD Single : A 1 MET N :NH3+ 180:sc= -3.26! (180deg=-3.25!) USER MOD Single : A 2 ASN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 37:sc= -0.0115 USER MOD Single : A 14 THR OG1 : rot -33:sc= 0.128 USER MOD Single : A 17 MET CE :methyl -145:sc= -0.0146 (180deg=-0.941!) USER MOD Single : A 22 THR OG1 : rot 180:sc= -2.41! USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 GLN : amide:sc= -0.271 X(o=-0.27,f=0) USER MOD Single : A 34 GLN : amide:sc= -0.0628 K(o=-0.063,f=-1.1!) USER MOD Single : A 35 THR OG1 : rot -179:sc= -0.612 USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=-0.058) USER MOD Single : A 39 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0669) USER MOD Single : A 40 SER OG : rot -150:sc= -0.663 USER MOD Single : A 41 LYS NZ :NH3+ -156:sc= -0.0315 (180deg=-0.217) USER MOD Single : A 44 LYS NZ :NH3+ 165:sc= -0.0177 (180deg=-0.269) USER MOD Single : A 45 LYS NZ :NH3+ -129:sc= -0.465 (180deg=-2.39!) USER MOD Single : A 48 GLN :FLIP amide:sc= -3.7! C(o=-4.7!,f=-3.7!) USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 28:sc= -2.52! USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= -6.23! C(o=-6.2!,f=-15!) USER MOD Single : A 75 HIS : no HD1:sc= -2.45! C(o=-2.5!,f=-4.1!) USER MOD Single : A 79 HIS : no HD1:sc= -0.787 X(o=-0.79,f=-1.2) USER MOD Single : A 83 GLN : amide:sc= -0.296 K(o=-0.3,f=-2.6!) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 60.741 -12.342 -0.022 1.00 1.00 N ATOM 2 CA MET A 1 59.467 -11.894 -0.652 1.00 1.00 C ATOM 3 C MET A 1 58.295 -12.660 -0.034 1.00 1.00 C ATOM 4 O MET A 1 57.455 -12.093 0.636 1.00 1.00 O ATOM 5 CB MET A 1 59.519 -12.168 -2.157 1.00 1.00 C ATOM 6 CG MET A 1 60.870 -11.716 -2.713 1.00 1.00 C ATOM 7 SD MET A 1 60.881 -11.917 -4.512 1.00 1.00 S ATOM 8 CE MET A 1 62.640 -12.302 -4.687 1.00 1.00 C ATOM 0 H1 MET A 1 61.538 -11.822 -0.442 1.00 1.00 H new ATOM 0 H2 MET A 1 60.707 -12.156 1.001 1.00 1.00 H new ATOM 0 H3 MET A 1 60.869 -13.361 -0.185 1.00 1.00 H new ATOM 0 HA MET A 1 59.333 -10.826 -0.481 1.00 1.00 H new ATOM 0 HB2 MET A 1 59.372 -13.231 -2.349 1.00 1.00 H new ATOM 0 HB3 MET A 1 58.711 -11.639 -2.662 1.00 1.00 H new ATOM 0 HG2 MET A 1 61.052 -10.674 -2.452 1.00 1.00 H new ATOM 0 HG3 MET A 1 61.673 -12.302 -2.266 1.00 1.00 H new ATOM 0 HE1 MET A 1 62.981 -12.003 -5.678 1.00 1.00 H new ATOM 0 HE2 MET A 1 63.208 -11.762 -3.930 1.00 1.00 H new ATOM 0 HE3 MET A 1 62.792 -13.374 -4.559 1.00 1.00 H new ATOM 17 N ASN A 2 58.232 -13.944 -0.254 1.00 1.00 N ATOM 18 CA ASN A 2 57.114 -14.745 0.320 1.00 1.00 C ATOM 19 C ASN A 2 57.390 -15.017 1.800 1.00 1.00 C ATOM 20 O ASN A 2 56.937 -15.999 2.355 1.00 1.00 O ATOM 21 CB ASN A 2 57.000 -16.073 -0.430 1.00 1.00 C ATOM 22 CG ASN A 2 56.811 -15.801 -1.924 1.00 1.00 C ATOM 23 OD1 ASN A 2 55.970 -15.014 -2.308 1.00 1.00 O ATOM 24 ND2 ASN A 2 57.565 -16.424 -2.788 1.00 1.00 N ATOM 0 H ASN A 2 58.906 -14.474 -0.806 1.00 1.00 H new ATOM 0 HA ASN A 2 56.181 -14.191 0.220 1.00 1.00 H new ATOM 0 HB2 ASN A 2 57.896 -16.672 -0.269 1.00 1.00 H new ATOM 0 HB3 ASN A 2 56.159 -16.649 -0.045 1.00 1.00 H new ATOM 0 HD21 ASN A 2 57.448 -16.250 -3.786 1.00 1.00 H new ATOM 0 HD22 ASN A 2 58.271 -17.085 -2.465 1.00 1.00 H new ATOM 31 N LEU A 3 58.130 -14.156 2.444 1.00 1.00 N ATOM 32 CA LEU A 3 58.434 -14.365 3.890 1.00 1.00 C ATOM 33 C LEU A 3 57.379 -13.652 4.740 1.00 1.00 C ATOM 34 O LEU A 3 56.493 -12.997 4.228 1.00 1.00 O ATOM 35 CB LEU A 3 59.825 -13.802 4.210 1.00 1.00 C ATOM 36 CG LEU A 3 60.096 -12.576 3.337 1.00 1.00 C ATOM 37 CD1 LEU A 3 58.988 -11.542 3.549 1.00 1.00 C ATOM 38 CD2 LEU A 3 61.443 -11.963 3.724 1.00 1.00 C ATOM 0 H LEU A 3 58.538 -13.317 2.032 1.00 1.00 H new ATOM 0 HA LEU A 3 58.419 -15.431 4.115 1.00 1.00 H new ATOM 0 HB2 LEU A 3 59.885 -13.531 5.264 1.00 1.00 H new ATOM 0 HB3 LEU A 3 60.586 -14.562 4.033 1.00 1.00 H new ATOM 0 HG LEU A 3 60.119 -12.875 2.289 1.00 1.00 H new ATOM 0 HD11 LEU A 3 59.182 -10.668 2.927 1.00 1.00 H new ATOM 0 HD12 LEU A 3 58.027 -11.977 3.275 1.00 1.00 H new ATOM 0 HD13 LEU A 3 58.965 -11.243 4.597 1.00 1.00 H new ATOM 0 HD21 LEU A 3 61.637 -11.089 3.102 1.00 1.00 H new ATOM 0 HD22 LEU A 3 61.419 -11.665 4.772 1.00 1.00 H new ATOM 0 HD23 LEU A 3 62.234 -12.698 3.574 1.00 1.00 H new ATOM 50 N GLU A 4 57.466 -13.776 6.036 1.00 1.00 N ATOM 51 CA GLU A 4 56.468 -13.108 6.919 1.00 1.00 C ATOM 52 C GLU A 4 56.799 -11.613 7.017 1.00 1.00 C ATOM 53 O GLU A 4 57.946 -11.223 6.925 1.00 1.00 O ATOM 54 CB GLU A 4 56.526 -13.740 8.313 1.00 1.00 C ATOM 55 CG GLU A 4 56.717 -15.252 8.179 1.00 1.00 C ATOM 56 CD GLU A 4 56.534 -15.913 9.546 1.00 1.00 C ATOM 57 OE1 GLU A 4 56.449 -15.191 10.525 1.00 1.00 O ATOM 58 OE2 GLU A 4 56.482 -17.131 9.591 1.00 1.00 O ATOM 0 H GLU A 4 58.185 -14.311 6.522 1.00 1.00 H new ATOM 0 HA GLU A 4 55.467 -13.231 6.505 1.00 1.00 H new ATOM 0 HB2 GLU A 4 57.347 -13.308 8.886 1.00 1.00 H new ATOM 0 HB3 GLU A 4 55.608 -13.526 8.860 1.00 1.00 H new ATOM 0 HG2 GLU A 4 55.998 -15.658 7.468 1.00 1.00 H new ATOM 0 HG3 GLU A 4 57.711 -15.470 7.788 1.00 1.00 H new ATOM 65 N PRO A 5 55.805 -10.780 7.205 1.00 1.00 N ATOM 66 CA PRO A 5 56.001 -9.310 7.319 1.00 1.00 C ATOM 67 C PRO A 5 57.292 -8.955 8.073 1.00 1.00 C ATOM 68 O PRO A 5 57.343 -9.023 9.285 1.00 1.00 O ATOM 69 CB PRO A 5 54.773 -8.863 8.111 1.00 1.00 C ATOM 70 CG PRO A 5 53.697 -9.827 7.727 1.00 1.00 C ATOM 71 CD PRO A 5 54.384 -11.142 7.336 1.00 1.00 C ATOM 0 HA PRO A 5 56.100 -8.826 6.348 1.00 1.00 H new ATOM 0 HB2 PRO A 5 54.963 -8.890 9.184 1.00 1.00 H new ATOM 0 HB3 PRO A 5 54.494 -7.839 7.862 1.00 1.00 H new ATOM 0 HG2 PRO A 5 53.008 -9.985 8.557 1.00 1.00 H new ATOM 0 HG3 PRO A 5 53.110 -9.437 6.895 1.00 1.00 H new ATOM 0 HD2 PRO A 5 54.237 -11.910 8.096 1.00 1.00 H new ATOM 0 HD3 PRO A 5 53.986 -11.537 6.402 1.00 1.00 H new ATOM 79 N PRO A 6 58.328 -8.585 7.363 1.00 1.00 N ATOM 80 CA PRO A 6 59.634 -8.224 7.979 1.00 1.00 C ATOM 81 C PRO A 6 59.660 -6.776 8.478 1.00 1.00 C ATOM 82 O PRO A 6 59.220 -5.867 7.802 1.00 1.00 O ATOM 83 CB PRO A 6 60.626 -8.422 6.833 1.00 1.00 C ATOM 84 CG PRO A 6 59.842 -8.153 5.589 1.00 1.00 C ATOM 85 CD PRO A 6 58.374 -8.473 5.896 1.00 1.00 C ATOM 0 HA PRO A 6 59.856 -8.827 8.860 1.00 1.00 H new ATOM 0 HB2 PRO A 6 61.472 -7.740 6.921 1.00 1.00 H new ATOM 0 HB3 PRO A 6 61.031 -9.434 6.833 1.00 1.00 H new ATOM 0 HG2 PRO A 6 59.952 -7.113 5.283 1.00 1.00 H new ATOM 0 HG3 PRO A 6 60.205 -8.768 4.766 1.00 1.00 H new ATOM 0 HD2 PRO A 6 57.711 -7.686 5.536 1.00 1.00 H new ATOM 0 HD3 PRO A 6 58.060 -9.400 5.416 1.00 1.00 H new ATOM 93 N LYS A 7 60.174 -6.557 9.657 1.00 1.00 N ATOM 94 CA LYS A 7 60.232 -5.172 10.203 1.00 1.00 C ATOM 95 C LYS A 7 61.442 -5.043 11.129 1.00 1.00 C ATOM 96 O LYS A 7 61.776 -3.967 11.585 1.00 1.00 O ATOM 97 CB LYS A 7 58.954 -4.882 10.994 1.00 1.00 C ATOM 98 CG LYS A 7 58.875 -5.819 12.201 1.00 1.00 C ATOM 99 CD LYS A 7 57.491 -5.710 12.843 1.00 1.00 C ATOM 100 CE LYS A 7 56.531 -6.684 12.158 1.00 1.00 C ATOM 101 NZ LYS A 7 55.207 -6.639 12.840 1.00 1.00 N ATOM 0 H LYS A 7 60.557 -7.279 10.267 1.00 1.00 H new ATOM 0 HA LYS A 7 60.322 -4.460 9.382 1.00 1.00 H new ATOM 0 HB2 LYS A 7 58.947 -3.844 11.326 1.00 1.00 H new ATOM 0 HB3 LYS A 7 58.081 -5.019 10.357 1.00 1.00 H new ATOM 0 HG2 LYS A 7 59.063 -6.847 11.890 1.00 1.00 H new ATOM 0 HG3 LYS A 7 59.646 -5.560 12.927 1.00 1.00 H new ATOM 0 HD2 LYS A 7 57.554 -5.934 13.908 1.00 1.00 H new ATOM 0 HD3 LYS A 7 57.116 -4.690 12.753 1.00 1.00 H new ATOM 0 HE2 LYS A 7 56.419 -6.422 11.106 1.00 1.00 H new ATOM 0 HE3 LYS A 7 56.936 -7.695 12.193 1.00 1.00 H new ATOM 0 HZ1 LYS A 7 54.554 -7.301 12.374 1.00 1.00 H new ATOM 0 HZ2 LYS A 7 55.321 -6.909 13.838 1.00 1.00 H new ATOM 0 HZ3 LYS A 7 54.820 -5.675 12.784 1.00 1.00 H new ATOM 115 N ALA A 8 62.102 -6.133 11.411 1.00 1.00 N ATOM 116 CA ALA A 8 63.289 -6.074 12.309 1.00 1.00 C ATOM 117 C ALA A 8 62.931 -5.290 13.572 1.00 1.00 C ATOM 118 O ALA A 8 61.797 -4.906 13.776 1.00 1.00 O ATOM 119 CB ALA A 8 64.442 -5.376 11.585 1.00 1.00 C ATOM 0 H ALA A 8 61.870 -7.062 11.058 1.00 1.00 H new ATOM 0 HA ALA A 8 63.591 -7.085 12.581 1.00 1.00 H new ATOM 0 HB1 ALA A 8 65.311 -5.333 12.242 1.00 1.00 H new ATOM 0 HB2 ALA A 8 64.696 -5.933 10.683 1.00 1.00 H new ATOM 0 HB3 ALA A 8 64.142 -4.364 11.313 1.00 1.00 H new ATOM 125 N GLU A 9 63.890 -5.049 14.423 1.00 1.00 N ATOM 126 CA GLU A 9 63.606 -4.289 15.673 1.00 1.00 C ATOM 127 C GLU A 9 64.864 -3.535 16.104 1.00 1.00 C ATOM 128 O GLU A 9 64.998 -3.132 17.242 1.00 1.00 O ATOM 129 CB GLU A 9 63.190 -5.262 16.780 1.00 1.00 C ATOM 130 CG GLU A 9 61.783 -5.791 16.494 1.00 1.00 C ATOM 131 CD GLU A 9 61.284 -6.591 17.699 1.00 1.00 C ATOM 132 OE1 GLU A 9 62.108 -7.188 18.372 1.00 1.00 O ATOM 133 OE2 GLU A 9 60.085 -6.592 17.929 1.00 1.00 O ATOM 0 H GLU A 9 64.859 -5.346 14.307 1.00 1.00 H new ATOM 0 HA GLU A 9 62.799 -3.579 15.492 1.00 1.00 H new ATOM 0 HB2 GLU A 9 63.897 -6.090 16.835 1.00 1.00 H new ATOM 0 HB3 GLU A 9 63.211 -4.760 17.747 1.00 1.00 H new ATOM 0 HG2 GLU A 9 61.106 -4.962 16.289 1.00 1.00 H new ATOM 0 HG3 GLU A 9 61.794 -6.421 15.605 1.00 1.00 H new ATOM 140 N CYS A 10 65.790 -3.343 15.204 1.00 1.00 N ATOM 141 CA CYS A 10 67.039 -2.616 15.567 1.00 1.00 C ATOM 142 C CYS A 10 66.792 -1.108 15.490 1.00 1.00 C ATOM 143 O CYS A 10 67.535 -0.319 16.039 1.00 1.00 O ATOM 144 CB CYS A 10 68.157 -3.002 14.594 1.00 1.00 C ATOM 145 SG CYS A 10 68.557 -4.756 14.797 1.00 1.00 S ATOM 0 H CYS A 10 65.736 -3.658 14.235 1.00 1.00 H new ATOM 0 HA CYS A 10 67.333 -2.884 16.582 1.00 1.00 H new ATOM 0 HB2 CYS A 10 67.844 -2.806 13.568 1.00 1.00 H new ATOM 0 HB3 CYS A 10 69.041 -2.393 14.780 1.00 1.00 H new ATOM 150 N ARG A 11 65.750 -0.702 14.817 1.00 1.00 N ATOM 151 CA ARG A 11 65.453 0.754 14.710 1.00 1.00 C ATOM 152 C ARG A 11 64.080 0.951 14.068 1.00 1.00 C ATOM 153 O ARG A 11 63.337 0.011 13.868 1.00 1.00 O ATOM 154 CB ARG A 11 66.526 1.442 13.864 1.00 1.00 C ATOM 155 CG ARG A 11 66.476 0.907 12.432 1.00 1.00 C ATOM 156 CD ARG A 11 67.096 -0.491 12.386 1.00 1.00 C ATOM 157 NE ARG A 11 67.551 -0.787 10.998 1.00 1.00 N ATOM 158 CZ ARG A 11 66.678 -1.074 10.072 1.00 1.00 C ATOM 159 NH1 ARG A 11 65.406 -1.103 10.362 1.00 1.00 N ATOM 160 NH2 ARG A 11 67.077 -1.334 8.857 1.00 1.00 N ATOM 0 H ARG A 11 65.092 -1.316 14.337 1.00 1.00 H new ATOM 0 HA ARG A 11 65.450 1.195 15.707 1.00 1.00 H new ATOM 0 HB2 ARG A 11 66.367 2.520 13.865 1.00 1.00 H new ATOM 0 HB3 ARG A 11 67.511 1.264 14.295 1.00 1.00 H new ATOM 0 HG2 ARG A 11 65.444 0.870 12.082 1.00 1.00 H new ATOM 0 HG3 ARG A 11 67.016 1.578 11.763 1.00 1.00 H new ATOM 0 HD2 ARG A 11 67.937 -0.550 13.076 1.00 1.00 H new ATOM 0 HD3 ARG A 11 66.367 -1.235 12.708 1.00 1.00 H new ATOM 0 HE ARG A 11 68.545 -0.765 10.772 1.00 1.00 H new ATOM 0 HH11 ARG A 11 65.095 -0.901 11.312 1.00 1.00 H new ATOM 0 HH12 ARG A 11 64.723 -1.327 9.638 1.00 1.00 H new ATOM 0 HH21 ARG A 11 68.071 -1.313 8.631 1.00 1.00 H new ATOM 0 HH22 ARG A 11 66.394 -1.558 8.133 1.00 1.00 H new ATOM 174 N SER A 12 63.737 2.167 13.741 1.00 1.00 N ATOM 175 CA SER A 12 62.413 2.425 13.108 1.00 1.00 C ATOM 176 C SER A 12 61.320 1.681 13.879 1.00 1.00 C ATOM 177 O SER A 12 61.509 1.276 15.009 1.00 1.00 O ATOM 178 CB SER A 12 62.440 1.933 11.660 1.00 1.00 C ATOM 179 OG SER A 12 62.924 0.598 11.628 1.00 1.00 O ATOM 0 H SER A 12 64.317 2.993 13.885 1.00 1.00 H new ATOM 0 HA SER A 12 62.204 3.495 13.128 1.00 1.00 H new ATOM 0 HB2 SER A 12 61.440 1.980 11.229 1.00 1.00 H new ATOM 0 HB3 SER A 12 63.078 2.578 11.056 1.00 1.00 H new ATOM 0 HG SER A 12 62.592 0.111 12.411 1.00 1.00 H new ATOM 185 N ALA A 13 60.177 1.498 13.275 1.00 1.00 N ATOM 186 CA ALA A 13 59.070 0.780 13.968 1.00 1.00 C ATOM 187 C ALA A 13 58.169 0.118 12.924 1.00 1.00 C ATOM 188 O ALA A 13 57.745 -1.010 13.081 1.00 1.00 O ATOM 189 CB ALA A 13 58.250 1.777 14.790 1.00 1.00 C ATOM 0 H ALA A 13 59.962 1.816 12.330 1.00 1.00 H new ATOM 0 HA ALA A 13 59.485 0.020 14.630 1.00 1.00 H new ATOM 0 HB1 ALA A 13 57.440 1.252 15.297 1.00 1.00 H new ATOM 0 HB2 ALA A 13 58.893 2.254 15.530 1.00 1.00 H new ATOM 0 HB3 ALA A 13 57.832 2.537 14.129 1.00 1.00 H new ATOM 195 N THR A 14 57.875 0.810 11.858 1.00 1.00 N ATOM 196 CA THR A 14 57.005 0.223 10.802 1.00 1.00 C ATOM 197 C THR A 14 57.096 1.079 9.537 1.00 1.00 C ATOM 198 O THR A 14 56.366 2.035 9.368 1.00 1.00 O ATOM 199 CB THR A 14 55.555 0.190 11.292 1.00 1.00 C ATOM 200 OG1 THR A 14 55.510 -0.380 12.592 1.00 1.00 O ATOM 201 CG2 THR A 14 54.709 -0.651 10.334 1.00 1.00 C ATOM 0 H THR A 14 58.201 1.759 11.673 1.00 1.00 H new ATOM 0 HA THR A 14 57.335 -0.792 10.581 1.00 1.00 H new ATOM 0 HB THR A 14 55.159 1.205 11.326 1.00 1.00 H new ATOM 0 HG1 THR A 14 56.211 -1.060 12.675 1.00 1.00 H new ATOM 0 HG21 THR A 14 53.677 -0.674 10.684 1.00 1.00 H new ATOM 0 HG22 THR A 14 54.744 -0.212 9.337 1.00 1.00 H new ATOM 0 HG23 THR A 14 55.102 -1.667 10.298 1.00 1.00 H new ATOM 209 N ARG A 15 57.989 0.742 8.646 1.00 1.00 N ATOM 210 CA ARG A 15 58.129 1.536 7.393 1.00 1.00 C ATOM 211 C ARG A 15 58.373 3.006 7.743 1.00 1.00 C ATOM 212 O ARG A 15 57.452 3.749 8.018 1.00 1.00 O ATOM 213 CB ARG A 15 56.847 1.415 6.565 1.00 1.00 C ATOM 214 CG ARG A 15 57.085 1.992 5.168 1.00 1.00 C ATOM 215 CD ARG A 15 55.740 2.244 4.483 1.00 1.00 C ATOM 216 NE ARG A 15 55.974 2.752 3.102 1.00 1.00 N ATOM 217 CZ ARG A 15 56.225 1.916 2.133 1.00 1.00 C ATOM 218 NH1 ARG A 15 56.272 0.634 2.372 1.00 1.00 N ATOM 219 NH2 ARG A 15 56.430 2.362 0.923 1.00 1.00 N ATOM 0 H ARG A 15 58.627 -0.049 8.732 1.00 1.00 H new ATOM 0 HA ARG A 15 58.972 1.156 6.816 1.00 1.00 H new ATOM 0 HB2 ARG A 15 56.546 0.370 6.492 1.00 1.00 H new ATOM 0 HB3 ARG A 15 56.033 1.948 7.056 1.00 1.00 H new ATOM 0 HG2 ARG A 15 57.649 2.922 5.239 1.00 1.00 H new ATOM 0 HG3 ARG A 15 57.683 1.301 4.575 1.00 1.00 H new ATOM 0 HD2 ARG A 15 55.158 1.323 4.449 1.00 1.00 H new ATOM 0 HD3 ARG A 15 55.158 2.967 5.055 1.00 1.00 H new ATOM 0 HE ARG A 15 55.938 3.754 2.914 1.00 1.00 H new ATOM 0 HH11 ARG A 15 56.112 0.285 3.317 1.00 1.00 H new ATOM 0 HH12 ARG A 15 56.468 -0.019 1.614 1.00 1.00 H new ATOM 0 HH21 ARG A 15 56.394 3.364 0.736 1.00 1.00 H new ATOM 0 HH22 ARG A 15 56.626 1.708 0.165 1.00 1.00 H new ATOM 233 N VAL A 16 59.607 3.433 7.731 1.00 1.00 N ATOM 234 CA VAL A 16 59.907 4.856 8.059 1.00 1.00 C ATOM 235 C VAL A 16 61.175 5.293 7.320 1.00 1.00 C ATOM 236 O VAL A 16 61.960 4.478 6.880 1.00 1.00 O ATOM 237 CB VAL A 16 60.110 5.003 9.571 1.00 1.00 C ATOM 238 CG1 VAL A 16 61.472 4.427 9.962 1.00 1.00 C ATOM 239 CG2 VAL A 16 60.056 6.485 9.950 1.00 1.00 C ATOM 0 H VAL A 16 60.420 2.858 7.508 1.00 1.00 H new ATOM 0 HA VAL A 16 59.073 5.485 7.747 1.00 1.00 H new ATOM 0 HB VAL A 16 59.323 4.463 10.097 1.00 1.00 H new ATOM 0 HG11 VAL A 16 61.616 4.532 11.037 1.00 1.00 H new ATOM 0 HG12 VAL A 16 61.512 3.372 9.692 1.00 1.00 H new ATOM 0 HG13 VAL A 16 62.260 4.966 9.436 1.00 1.00 H new ATOM 0 HG21 VAL A 16 60.200 6.591 11.025 1.00 1.00 H new ATOM 0 HG22 VAL A 16 60.843 7.024 9.423 1.00 1.00 H new ATOM 0 HG23 VAL A 16 59.086 6.897 9.672 1.00 1.00 H new ATOM 249 N MET A 17 61.375 6.575 7.185 1.00 1.00 N ATOM 250 CA MET A 17 62.585 7.081 6.475 1.00 1.00 C ATOM 251 C MET A 17 62.536 8.611 6.438 1.00 1.00 C ATOM 252 O MET A 17 63.549 9.273 6.327 1.00 1.00 O ATOM 253 CB MET A 17 62.606 6.536 5.042 1.00 1.00 C ATOM 254 CG MET A 17 63.667 7.279 4.228 1.00 1.00 C ATOM 255 SD MET A 17 63.979 6.387 2.685 1.00 1.00 S ATOM 256 CE MET A 17 65.700 6.902 2.469 1.00 1.00 C ATOM 0 H MET A 17 60.749 7.299 7.538 1.00 1.00 H new ATOM 0 HA MET A 17 63.483 6.751 6.997 1.00 1.00 H new ATOM 0 HB2 MET A 17 62.822 5.468 5.051 1.00 1.00 H new ATOM 0 HB3 MET A 17 61.626 6.659 4.580 1.00 1.00 H new ATOM 0 HG2 MET A 17 63.331 8.293 4.012 1.00 1.00 H new ATOM 0 HG3 MET A 17 64.589 7.364 4.804 1.00 1.00 H new ATOM 0 HE1 MET A 17 65.912 7.027 1.407 1.00 1.00 H new ATOM 0 HE2 MET A 17 65.864 7.848 2.985 1.00 1.00 H new ATOM 0 HE3 MET A 17 66.362 6.142 2.884 1.00 1.00 H new ATOM 266 N GLY A 18 61.362 9.175 6.526 1.00 1.00 N ATOM 267 CA GLY A 18 61.241 10.660 6.492 1.00 1.00 C ATOM 268 C GLY A 18 62.051 11.270 7.637 1.00 1.00 C ATOM 269 O GLY A 18 62.535 10.575 8.508 1.00 1.00 O ATOM 0 H GLY A 18 60.480 8.671 6.620 1.00 1.00 H new ATOM 0 HA2 GLY A 18 61.600 11.042 5.536 1.00 1.00 H new ATOM 0 HA3 GLY A 18 60.194 10.951 6.579 1.00 1.00 H new ATOM 273 N GLY A 19 62.201 12.568 7.641 1.00 1.00 N ATOM 274 CA GLY A 19 62.979 13.234 8.725 1.00 1.00 C ATOM 275 C GLY A 19 63.839 14.344 8.120 1.00 1.00 C ATOM 276 O GLY A 19 63.845 14.550 6.922 1.00 1.00 O ATOM 0 H GLY A 19 61.816 13.198 6.937 1.00 1.00 H new ATOM 0 HA2 GLY A 19 62.302 13.649 9.472 1.00 1.00 H new ATOM 0 HA3 GLY A 19 63.610 12.506 9.235 1.00 1.00 H new ATOM 280 N PRO A 20 64.563 15.052 8.943 1.00 1.00 N ATOM 281 CA PRO A 20 65.448 16.161 8.487 1.00 1.00 C ATOM 282 C PRO A 20 66.270 15.770 7.254 1.00 1.00 C ATOM 283 O PRO A 20 67.403 15.345 7.360 1.00 1.00 O ATOM 284 CB PRO A 20 66.357 16.412 9.694 1.00 1.00 C ATOM 285 CG PRO A 20 65.556 15.986 10.880 1.00 1.00 C ATOM 286 CD PRO A 20 64.618 14.874 10.403 1.00 1.00 C ATOM 0 HA PRO A 20 64.883 17.042 8.182 1.00 1.00 H new ATOM 0 HB2 PRO A 20 67.282 15.840 9.617 1.00 1.00 H new ATOM 0 HB3 PRO A 20 66.637 17.463 9.765 1.00 1.00 H new ATOM 0 HG2 PRO A 20 66.207 15.627 11.678 1.00 1.00 H new ATOM 0 HG3 PRO A 20 64.988 16.824 11.284 1.00 1.00 H new ATOM 0 HD2 PRO A 20 65.000 13.889 10.670 1.00 1.00 H new ATOM 0 HD3 PRO A 20 63.630 14.966 10.853 1.00 1.00 H new ATOM 294 N CYS A 21 65.702 15.908 6.083 1.00 1.00 N ATOM 295 CA CYS A 21 66.440 15.542 4.839 1.00 1.00 C ATOM 296 C CYS A 21 66.433 16.729 3.873 1.00 1.00 C ATOM 297 O CYS A 21 65.419 17.364 3.661 1.00 1.00 O ATOM 298 CB CYS A 21 65.759 14.340 4.179 1.00 1.00 C ATOM 299 SG CYS A 21 66.969 13.433 3.184 1.00 1.00 S ATOM 0 H CYS A 21 64.756 16.260 5.936 1.00 1.00 H new ATOM 0 HA CYS A 21 67.469 15.285 5.088 1.00 1.00 H new ATOM 0 HB2 CYS A 21 65.334 13.686 4.940 1.00 1.00 H new ATOM 0 HB3 CYS A 21 64.934 14.676 3.551 1.00 1.00 H new ATOM 304 N THR A 22 67.560 17.031 3.285 1.00 1.00 N ATOM 305 CA THR A 22 67.626 18.175 2.330 1.00 1.00 C ATOM 306 C THR A 22 68.583 17.823 1.182 1.00 1.00 C ATOM 307 O THR A 22 69.784 17.946 1.316 1.00 1.00 O ATOM 308 CB THR A 22 68.148 19.413 3.064 1.00 1.00 C ATOM 309 OG1 THR A 22 69.265 19.051 3.864 1.00 1.00 O ATOM 310 CG2 THR A 22 67.043 19.985 3.954 1.00 1.00 C ATOM 0 H THR A 22 68.439 16.534 3.425 1.00 1.00 H new ATOM 0 HA THR A 22 66.633 18.377 1.929 1.00 1.00 H new ATOM 0 HB THR A 22 68.451 20.166 2.337 1.00 1.00 H new ATOM 0 HG1 THR A 22 69.602 19.843 4.333 1.00 1.00 H new ATOM 0 HG21 THR A 22 67.416 20.866 4.476 1.00 1.00 H new ATOM 0 HG22 THR A 22 66.187 20.263 3.339 1.00 1.00 H new ATOM 0 HG23 THR A 22 66.737 19.234 4.683 1.00 1.00 H new ATOM 318 N PRO A 23 68.060 17.386 0.062 1.00 1.00 N ATOM 319 CA PRO A 23 68.895 17.012 -1.117 1.00 1.00 C ATOM 320 C PRO A 23 69.922 18.093 -1.471 1.00 1.00 C ATOM 321 O PRO A 23 69.598 19.095 -2.077 1.00 1.00 O ATOM 322 CB PRO A 23 67.877 16.845 -2.249 1.00 1.00 C ATOM 323 CG PRO A 23 66.591 16.507 -1.569 1.00 1.00 C ATOM 324 CD PRO A 23 66.624 17.198 -0.203 1.00 1.00 C ATOM 0 HA PRO A 23 69.482 16.114 -0.926 1.00 1.00 H new ATOM 0 HB2 PRO A 23 67.785 17.760 -2.834 1.00 1.00 H new ATOM 0 HB3 PRO A 23 68.179 16.055 -2.937 1.00 1.00 H new ATOM 0 HG2 PRO A 23 65.740 16.851 -2.157 1.00 1.00 H new ATOM 0 HG3 PRO A 23 66.485 15.428 -1.455 1.00 1.00 H new ATOM 0 HD2 PRO A 23 66.093 18.150 -0.223 1.00 1.00 H new ATOM 0 HD3 PRO A 23 66.152 16.586 0.566 1.00 1.00 H new ATOM 332 N ARG A 24 71.158 17.895 -1.101 1.00 1.00 N ATOM 333 CA ARG A 24 72.201 18.909 -1.420 1.00 1.00 C ATOM 334 C ARG A 24 72.469 18.901 -2.926 1.00 1.00 C ATOM 335 O ARG A 24 71.764 18.269 -3.688 1.00 1.00 O ATOM 336 CB ARG A 24 73.492 18.571 -0.671 1.00 1.00 C ATOM 337 CG ARG A 24 73.221 18.560 0.835 1.00 1.00 C ATOM 338 CD ARG A 24 72.796 19.958 1.288 1.00 1.00 C ATOM 339 NE ARG A 24 73.155 20.146 2.722 1.00 1.00 N ATOM 340 CZ ARG A 24 72.534 19.465 3.645 1.00 1.00 C ATOM 341 NH1 ARG A 24 71.597 18.619 3.313 1.00 1.00 N ATOM 342 NH2 ARG A 24 72.848 19.629 4.901 1.00 1.00 N ATOM 0 H ARG A 24 71.490 17.076 -0.592 1.00 1.00 H new ATOM 0 HA ARG A 24 71.854 19.896 -1.114 1.00 1.00 H new ATOM 0 HB2 ARG A 24 73.867 17.599 -0.991 1.00 1.00 H new ATOM 0 HB3 ARG A 24 74.264 19.303 -0.907 1.00 1.00 H new ATOM 0 HG2 ARG A 24 72.439 17.837 1.069 1.00 1.00 H new ATOM 0 HG3 ARG A 24 74.116 18.248 1.374 1.00 1.00 H new ATOM 0 HD2 ARG A 24 73.287 20.715 0.677 1.00 1.00 H new ATOM 0 HD3 ARG A 24 71.722 20.086 1.151 1.00 1.00 H new ATOM 0 HE ARG A 24 73.887 20.807 2.982 1.00 1.00 H new ATOM 0 HH11 ARG A 24 71.350 18.490 2.332 1.00 1.00 H new ATOM 0 HH12 ARG A 24 71.111 18.087 4.035 1.00 1.00 H new ATOM 0 HH21 ARG A 24 73.580 20.290 5.162 1.00 1.00 H new ATOM 0 HH22 ARG A 24 72.362 19.096 5.622 1.00 1.00 H new ATOM 356 N LYS A 25 73.481 19.600 -3.363 1.00 1.00 N ATOM 357 CA LYS A 25 73.789 19.632 -4.821 1.00 1.00 C ATOM 358 C LYS A 25 75.108 20.373 -5.048 1.00 1.00 C ATOM 359 O LYS A 25 75.398 20.824 -6.138 1.00 1.00 O ATOM 360 CB LYS A 25 72.662 20.358 -5.564 1.00 1.00 C ATOM 361 CG LYS A 25 72.472 21.757 -4.974 1.00 1.00 C ATOM 362 CD LYS A 25 70.979 22.042 -4.806 1.00 1.00 C ATOM 363 CE LYS A 25 70.791 23.416 -4.160 1.00 1.00 C ATOM 364 NZ LYS A 25 69.435 23.495 -3.546 1.00 1.00 N ATOM 0 H LYS A 25 74.107 20.150 -2.774 1.00 1.00 H new ATOM 0 HA LYS A 25 73.876 18.612 -5.197 1.00 1.00 H new ATOM 0 HB2 LYS A 25 72.900 20.430 -6.625 1.00 1.00 H new ATOM 0 HB3 LYS A 25 71.735 19.790 -5.483 1.00 1.00 H new ATOM 0 HG2 LYS A 25 72.977 21.829 -4.011 1.00 1.00 H new ATOM 0 HG3 LYS A 25 72.924 22.503 -5.627 1.00 1.00 H new ATOM 0 HD2 LYS A 25 70.481 22.013 -5.775 1.00 1.00 H new ATOM 0 HD3 LYS A 25 70.518 21.272 -4.188 1.00 1.00 H new ATOM 0 HE2 LYS A 25 71.556 23.581 -3.401 1.00 1.00 H new ATOM 0 HE3 LYS A 25 70.910 24.200 -4.907 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 69.307 24.429 -3.107 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 68.712 23.356 -4.281 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 69.338 22.755 -2.821 1.00 1.00 H new ATOM 378 N GLY A 26 75.911 20.504 -4.026 1.00 1.00 N ATOM 379 CA GLY A 26 77.210 21.218 -4.185 1.00 1.00 C ATOM 380 C GLY A 26 78.285 20.231 -4.647 1.00 1.00 C ATOM 381 O GLY A 26 78.818 20.348 -5.733 1.00 1.00 O ATOM 0 H GLY A 26 75.723 20.148 -3.089 1.00 1.00 H new ATOM 0 HA2 GLY A 26 77.107 22.025 -4.911 1.00 1.00 H new ATOM 0 HA3 GLY A 26 77.503 21.675 -3.240 1.00 1.00 H new ATOM 385 N PRO A 27 78.603 19.266 -3.825 1.00 1.00 N ATOM 386 CA PRO A 27 79.635 18.239 -4.152 1.00 1.00 C ATOM 387 C PRO A 27 79.420 17.628 -5.545 1.00 1.00 C ATOM 388 O PRO A 27 78.302 17.519 -6.010 1.00 1.00 O ATOM 389 CB PRO A 27 79.447 17.175 -3.065 1.00 1.00 C ATOM 390 CG PRO A 27 78.835 17.896 -1.910 1.00 1.00 C ATOM 391 CD PRO A 27 78.015 19.049 -2.493 1.00 1.00 C ATOM 0 HA PRO A 27 80.639 18.664 -4.175 1.00 1.00 H new ATOM 0 HB2 PRO A 27 78.801 16.368 -3.412 1.00 1.00 H new ATOM 0 HB3 PRO A 27 80.400 16.724 -2.787 1.00 1.00 H new ATOM 0 HG2 PRO A 27 78.201 17.227 -1.328 1.00 1.00 H new ATOM 0 HG3 PRO A 27 79.605 18.271 -1.236 1.00 1.00 H new ATOM 0 HD2 PRO A 27 76.958 18.793 -2.560 1.00 1.00 H new ATOM 0 HD3 PRO A 27 78.087 19.943 -1.874 1.00 1.00 H new ATOM 399 N PRO A 28 80.478 17.227 -6.206 1.00 1.00 N ATOM 400 CA PRO A 28 80.389 16.614 -7.560 1.00 1.00 C ATOM 401 C PRO A 28 79.227 15.620 -7.668 1.00 1.00 C ATOM 402 O PRO A 28 78.777 15.068 -6.684 1.00 1.00 O ATOM 403 CB PRO A 28 81.728 15.892 -7.713 1.00 1.00 C ATOM 404 CG PRO A 28 82.686 16.662 -6.863 1.00 1.00 C ATOM 405 CD PRO A 28 81.871 17.310 -5.738 1.00 1.00 C ATOM 0 HA PRO A 28 80.203 17.358 -8.335 1.00 1.00 H new ATOM 0 HB2 PRO A 28 81.656 14.855 -7.385 1.00 1.00 H new ATOM 0 HB3 PRO A 28 82.050 15.876 -8.754 1.00 1.00 H new ATOM 0 HG2 PRO A 28 83.452 16.004 -6.453 1.00 1.00 H new ATOM 0 HG3 PRO A 28 83.200 17.421 -7.453 1.00 1.00 H new ATOM 0 HD2 PRO A 28 82.006 16.782 -4.794 1.00 1.00 H new ATOM 0 HD3 PRO A 28 82.174 18.344 -5.571 1.00 1.00 H new ATOM 413 N LYS A 29 78.742 15.385 -8.856 1.00 1.00 N ATOM 414 CA LYS A 29 77.615 14.425 -9.022 1.00 1.00 C ATOM 415 C LYS A 29 78.077 13.031 -8.592 1.00 1.00 C ATOM 416 O LYS A 29 78.316 12.778 -7.428 1.00 1.00 O ATOM 417 CB LYS A 29 77.186 14.391 -10.493 1.00 1.00 C ATOM 418 CG LYS A 29 76.692 15.776 -10.917 1.00 1.00 C ATOM 419 CD LYS A 29 75.203 15.908 -10.595 1.00 1.00 C ATOM 420 CE LYS A 29 74.377 15.386 -11.772 1.00 1.00 C ATOM 421 NZ LYS A 29 72.948 15.275 -11.366 1.00 1.00 N ATOM 0 H LYS A 29 79.077 15.816 -9.718 1.00 1.00 H new ATOM 0 HA LYS A 29 76.771 14.738 -8.407 1.00 1.00 H new ATOM 0 HB2 LYS A 29 78.024 14.085 -11.119 1.00 1.00 H new ATOM 0 HB3 LYS A 29 76.396 13.653 -10.635 1.00 1.00 H new ATOM 0 HG2 LYS A 29 77.257 16.550 -10.398 1.00 1.00 H new ATOM 0 HG3 LYS A 29 76.858 15.922 -11.984 1.00 1.00 H new ATOM 0 HD2 LYS A 29 74.964 15.346 -9.692 1.00 1.00 H new ATOM 0 HD3 LYS A 29 74.954 16.951 -10.397 1.00 1.00 H new ATOM 0 HE2 LYS A 29 74.473 16.059 -12.624 1.00 1.00 H new ATOM 0 HE3 LYS A 29 74.752 14.413 -12.090 1.00 1.00 H new ATOM 0 HZ1 LYS A 29 72.386 14.920 -12.166 1.00 1.00 H new ATOM 0 HZ2 LYS A 29 72.865 14.616 -10.565 1.00 1.00 H new ATOM 0 HZ3 LYS A 29 72.594 16.211 -11.083 1.00 1.00 H new ATOM 435 N CYS A 30 78.210 12.127 -9.522 1.00 1.00 N ATOM 436 CA CYS A 30 78.662 10.753 -9.166 1.00 1.00 C ATOM 437 C CYS A 30 79.167 10.042 -10.424 1.00 1.00 C ATOM 438 O CYS A 30 79.098 8.834 -10.536 1.00 1.00 O ATOM 439 CB CYS A 30 77.494 9.969 -8.564 1.00 1.00 C ATOM 440 SG CYS A 30 76.340 9.498 -9.877 1.00 1.00 S ATOM 0 H CYS A 30 78.025 12.280 -10.513 1.00 1.00 H new ATOM 0 HA CYS A 30 79.469 10.813 -8.435 1.00 1.00 H new ATOM 0 HB2 CYS A 30 77.864 9.079 -8.054 1.00 1.00 H new ATOM 0 HB3 CYS A 30 76.983 10.575 -7.816 1.00 1.00 H new ATOM 445 N LYS A 31 79.676 10.788 -11.369 1.00 1.00 N ATOM 446 CA LYS A 31 80.192 10.170 -12.625 1.00 1.00 C ATOM 447 C LYS A 31 81.536 10.807 -12.983 1.00 1.00 C ATOM 448 O LYS A 31 82.054 11.632 -12.257 1.00 1.00 O ATOM 449 CB LYS A 31 79.195 10.413 -13.760 1.00 1.00 C ATOM 450 CG LYS A 31 77.978 9.505 -13.575 1.00 1.00 C ATOM 451 CD LYS A 31 76.861 9.947 -14.522 1.00 1.00 C ATOM 452 CE LYS A 31 75.690 8.968 -14.424 1.00 1.00 C ATOM 453 NZ LYS A 31 74.694 9.277 -15.488 1.00 1.00 N ATOM 0 H LYS A 31 79.757 11.804 -11.324 1.00 1.00 H new ATOM 0 HA LYS A 31 80.321 9.097 -12.480 1.00 1.00 H new ATOM 0 HB2 LYS A 31 78.884 11.458 -13.768 1.00 1.00 H new ATOM 0 HB3 LYS A 31 79.667 10.214 -14.722 1.00 1.00 H new ATOM 0 HG2 LYS A 31 78.250 8.469 -13.776 1.00 1.00 H new ATOM 0 HG3 LYS A 31 77.632 9.549 -12.542 1.00 1.00 H new ATOM 0 HD2 LYS A 31 76.530 10.953 -14.266 1.00 1.00 H new ATOM 0 HD3 LYS A 31 77.232 9.985 -15.546 1.00 1.00 H new ATOM 0 HE2 LYS A 31 76.048 7.944 -14.532 1.00 1.00 H new ATOM 0 HE3 LYS A 31 75.223 9.040 -13.442 1.00 1.00 H new ATOM 0 HZ1 LYS A 31 73.898 8.612 -15.422 1.00 1.00 H new ATOM 0 HZ2 LYS A 31 74.344 10.249 -15.365 1.00 1.00 H new ATOM 0 HZ3 LYS A 31 75.144 9.187 -16.421 1.00 1.00 H new ATOM 467 N GLN A 32 82.107 10.430 -14.093 1.00 1.00 N ATOM 468 CA GLN A 32 83.419 11.016 -14.490 1.00 1.00 C ATOM 469 C GLN A 32 84.404 10.892 -13.325 1.00 1.00 C ATOM 470 O GLN A 32 85.491 11.435 -13.359 1.00 1.00 O ATOM 471 CB GLN A 32 83.231 12.493 -14.844 1.00 1.00 C ATOM 472 CG GLN A 32 82.006 12.651 -15.746 1.00 1.00 C ATOM 473 CD GLN A 32 81.841 14.122 -16.131 1.00 1.00 C ATOM 474 OE1 GLN A 32 80.761 14.671 -16.030 1.00 1.00 O ATOM 475 NE2 GLN A 32 82.873 14.788 -16.572 1.00 1.00 N ATOM 0 H GLN A 32 81.723 9.743 -14.742 1.00 1.00 H new ATOM 0 HA GLN A 32 83.810 10.482 -15.356 1.00 1.00 H new ATOM 0 HB2 GLN A 32 83.105 13.082 -13.936 1.00 1.00 H new ATOM 0 HB3 GLN A 32 84.119 12.872 -15.349 1.00 1.00 H new ATOM 0 HG2 GLN A 32 82.120 12.040 -16.642 1.00 1.00 H new ATOM 0 HG3 GLN A 32 81.113 12.297 -15.230 1.00 1.00 H new ATOM 0 HE21 GLN A 32 83.779 14.327 -16.657 1.00 1.00 H new ATOM 0 HE22 GLN A 32 82.774 15.769 -16.832 1.00 1.00 H new ATOM 484 N ARG A 33 84.033 10.182 -12.294 1.00 1.00 N ATOM 485 CA ARG A 33 84.947 10.024 -11.128 1.00 1.00 C ATOM 486 C ARG A 33 86.004 8.965 -11.451 1.00 1.00 C ATOM 487 O ARG A 33 86.459 8.851 -12.572 1.00 1.00 O ATOM 488 CB ARG A 33 84.139 9.587 -9.903 1.00 1.00 C ATOM 489 CG ARG A 33 83.449 8.253 -10.194 1.00 1.00 C ATOM 490 CD ARG A 33 82.363 8.000 -9.146 1.00 1.00 C ATOM 491 NE ARG A 33 81.984 6.559 -9.163 1.00 1.00 N ATOM 492 CZ ARG A 33 82.761 5.673 -8.602 1.00 1.00 C ATOM 493 NH1 ARG A 33 83.870 6.049 -8.027 1.00 1.00 N ATOM 494 NH2 ARG A 33 82.428 4.411 -8.616 1.00 1.00 N ATOM 0 H ARG A 33 83.136 9.704 -12.209 1.00 1.00 H new ATOM 0 HA ARG A 33 85.438 10.974 -10.917 1.00 1.00 H new ATOM 0 HB2 ARG A 33 84.795 9.488 -9.038 1.00 1.00 H new ATOM 0 HB3 ARG A 33 83.397 10.346 -9.655 1.00 1.00 H new ATOM 0 HG2 ARG A 33 83.010 8.269 -11.192 1.00 1.00 H new ATOM 0 HG3 ARG A 33 84.179 7.443 -10.180 1.00 1.00 H new ATOM 0 HD2 ARG A 33 82.725 8.280 -8.157 1.00 1.00 H new ATOM 0 HD3 ARG A 33 81.490 8.619 -9.354 1.00 1.00 H new ATOM 0 HE ARG A 33 81.117 6.265 -9.613 1.00 1.00 H new ATOM 0 HH11 ARG A 33 84.130 7.035 -8.016 1.00 1.00 H new ATOM 0 HH12 ARG A 33 84.477 5.357 -7.589 1.00 1.00 H new ATOM 0 HH21 ARG A 33 81.561 4.117 -9.065 1.00 1.00 H new ATOM 0 HH22 ARG A 33 83.035 3.718 -8.178 1.00 1.00 H new ATOM 508 N GLN A 34 86.396 8.187 -10.477 1.00 1.00 N ATOM 509 CA GLN A 34 87.421 7.131 -10.724 1.00 1.00 C ATOM 510 C GLN A 34 87.023 5.856 -9.979 1.00 1.00 C ATOM 511 O GLN A 34 86.308 5.897 -8.998 1.00 1.00 O ATOM 512 CB GLN A 34 88.784 7.613 -10.221 1.00 1.00 C ATOM 513 CG GLN A 34 89.259 8.788 -11.079 1.00 1.00 C ATOM 514 CD GLN A 34 90.740 9.054 -10.804 1.00 1.00 C ATOM 515 OE1 GLN A 34 91.512 8.133 -10.624 1.00 1.00 O ATOM 516 NE2 GLN A 34 91.173 10.285 -10.765 1.00 1.00 N ATOM 0 H GLN A 34 86.050 8.238 -9.519 1.00 1.00 H new ATOM 0 HA GLN A 34 87.483 6.925 -11.793 1.00 1.00 H new ATOM 0 HB2 GLN A 34 88.711 7.917 -9.177 1.00 1.00 H new ATOM 0 HB3 GLN A 34 89.508 6.800 -10.266 1.00 1.00 H new ATOM 0 HG2 GLN A 34 89.109 8.565 -12.135 1.00 1.00 H new ATOM 0 HG3 GLN A 34 88.671 9.678 -10.854 1.00 1.00 H new ATOM 0 HE21 GLN A 34 90.525 11.058 -10.916 1.00 1.00 H new ATOM 0 HE22 GLN A 34 92.159 10.473 -10.584 1.00 1.00 H new ATOM 525 N THR A 35 87.478 4.724 -10.440 1.00 1.00 N ATOM 526 CA THR A 35 87.124 3.446 -9.761 1.00 1.00 C ATOM 527 C THR A 35 88.038 3.238 -8.552 1.00 1.00 C ATOM 528 O THR A 35 87.585 2.939 -7.465 1.00 1.00 O ATOM 529 CB THR A 35 87.305 2.284 -10.740 1.00 1.00 C ATOM 530 OG1 THR A 35 86.969 1.065 -10.092 1.00 1.00 O ATOM 531 CG2 THR A 35 88.760 2.231 -11.209 1.00 1.00 C ATOM 0 H THR A 35 88.080 4.629 -11.258 1.00 1.00 H new ATOM 0 HA THR A 35 86.087 3.487 -9.429 1.00 1.00 H new ATOM 0 HB THR A 35 86.654 2.429 -11.602 1.00 1.00 H new ATOM 0 HG1 THR A 35 87.098 0.318 -10.713 1.00 1.00 H new ATOM 0 HG21 THR A 35 88.888 1.403 -11.906 1.00 1.00 H new ATOM 0 HG22 THR A 35 89.016 3.167 -11.706 1.00 1.00 H new ATOM 0 HG23 THR A 35 89.414 2.086 -10.349 1.00 1.00 H new ATOM 539 N ARG A 36 89.321 3.392 -8.735 1.00 1.00 N ATOM 540 CA ARG A 36 90.268 3.201 -7.600 1.00 1.00 C ATOM 541 C ARG A 36 90.333 1.717 -7.234 1.00 1.00 C ATOM 542 O ARG A 36 91.380 1.192 -6.910 1.00 1.00 O ATOM 543 CB ARG A 36 89.789 4.013 -6.390 1.00 1.00 C ATOM 544 CG ARG A 36 90.992 4.412 -5.533 1.00 1.00 C ATOM 545 CD ARG A 36 91.814 5.472 -6.268 1.00 1.00 C ATOM 546 NE ARG A 36 92.969 4.821 -6.949 1.00 1.00 N ATOM 547 CZ ARG A 36 94.020 4.471 -6.260 1.00 1.00 C ATOM 548 NH1 ARG A 36 94.060 4.691 -4.974 1.00 1.00 N ATOM 549 NH2 ARG A 36 95.031 3.901 -6.856 1.00 1.00 N ATOM 0 H ARG A 36 89.755 3.642 -9.623 1.00 1.00 H new ATOM 0 HA ARG A 36 91.261 3.544 -7.892 1.00 1.00 H new ATOM 0 HB2 ARG A 36 89.256 4.903 -6.724 1.00 1.00 H new ATOM 0 HB3 ARG A 36 89.087 3.425 -5.799 1.00 1.00 H new ATOM 0 HG2 ARG A 36 90.654 4.800 -4.572 1.00 1.00 H new ATOM 0 HG3 ARG A 36 91.609 3.538 -5.325 1.00 1.00 H new ATOM 0 HD2 ARG A 36 91.191 5.988 -6.999 1.00 1.00 H new ATOM 0 HD3 ARG A 36 92.170 6.224 -5.564 1.00 1.00 H new ATOM 0 HE ARG A 36 92.938 4.649 -7.954 1.00 1.00 H new ATOM 0 HH11 ARG A 36 93.270 5.136 -4.508 1.00 1.00 H new ATOM 0 HH12 ARG A 36 94.882 4.417 -4.435 1.00 1.00 H new ATOM 0 HH21 ARG A 36 95.000 3.729 -7.861 1.00 1.00 H new ATOM 0 HH22 ARG A 36 95.853 3.627 -6.317 1.00 1.00 H new ATOM 563 N GLN A 37 89.221 1.038 -7.284 1.00 1.00 N ATOM 564 CA GLN A 37 89.214 -0.412 -6.941 1.00 1.00 C ATOM 565 C GLN A 37 87.823 -0.993 -7.209 1.00 1.00 C ATOM 566 O GLN A 37 86.934 -0.904 -6.387 1.00 1.00 O ATOM 567 CB GLN A 37 89.567 -0.588 -5.461 1.00 1.00 C ATOM 568 CG GLN A 37 89.300 -2.034 -5.040 1.00 1.00 C ATOM 569 CD GLN A 37 90.022 -2.324 -3.722 1.00 1.00 C ATOM 570 OE1 GLN A 37 91.128 -2.829 -3.720 1.00 1.00 O ATOM 571 NE2 GLN A 37 89.440 -2.025 -2.594 1.00 1.00 N ATOM 0 H GLN A 37 88.315 1.425 -7.548 1.00 1.00 H new ATOM 0 HA GLN A 37 89.949 -0.935 -7.553 1.00 1.00 H new ATOM 0 HB2 GLN A 37 90.615 -0.337 -5.294 1.00 1.00 H new ATOM 0 HB3 GLN A 37 88.975 0.094 -4.851 1.00 1.00 H new ATOM 0 HG2 GLN A 37 88.229 -2.198 -4.924 1.00 1.00 H new ATOM 0 HG3 GLN A 37 89.645 -2.719 -5.814 1.00 1.00 H new ATOM 0 HE21 GLN A 37 88.512 -1.601 -2.595 1.00 1.00 H new ATOM 0 HE22 GLN A 37 89.913 -2.215 -1.710 1.00 1.00 H new ATOM 580 N CYS A 38 87.630 -1.589 -8.354 1.00 1.00 N ATOM 581 CA CYS A 38 86.298 -2.177 -8.672 1.00 1.00 C ATOM 582 C CYS A 38 86.396 -2.993 -9.963 1.00 1.00 C ATOM 583 O CYS A 38 87.266 -3.826 -10.117 1.00 1.00 O ATOM 584 CB CYS A 38 85.274 -1.053 -8.849 1.00 1.00 C ATOM 585 SG CYS A 38 83.605 -1.718 -8.632 1.00 1.00 S ATOM 0 H CYS A 38 88.336 -1.694 -9.082 1.00 1.00 H new ATOM 0 HA CYS A 38 85.982 -2.828 -7.857 1.00 1.00 H new ATOM 0 HB2 CYS A 38 85.459 -0.261 -8.123 1.00 1.00 H new ATOM 0 HB3 CYS A 38 85.374 -0.608 -9.839 1.00 1.00 H new ATOM 590 N LYS A 39 85.510 -2.764 -10.894 1.00 1.00 N ATOM 591 CA LYS A 39 85.557 -3.531 -12.171 1.00 1.00 C ATOM 592 C LYS A 39 86.977 -3.490 -12.739 1.00 1.00 C ATOM 593 O LYS A 39 87.396 -4.378 -13.454 1.00 1.00 O ATOM 594 CB LYS A 39 84.588 -2.908 -13.177 1.00 1.00 C ATOM 595 CG LYS A 39 84.763 -1.388 -13.182 1.00 1.00 C ATOM 596 CD LYS A 39 84.103 -0.802 -14.431 1.00 1.00 C ATOM 597 CE LYS A 39 84.388 0.700 -14.503 1.00 1.00 C ATOM 598 NZ LYS A 39 83.579 1.408 -13.471 1.00 1.00 N ATOM 0 H LYS A 39 84.757 -2.080 -10.825 1.00 1.00 H new ATOM 0 HA LYS A 39 85.270 -4.566 -11.983 1.00 1.00 H new ATOM 0 HB2 LYS A 39 84.774 -3.309 -14.173 1.00 1.00 H new ATOM 0 HB3 LYS A 39 83.561 -3.165 -12.916 1.00 1.00 H new ATOM 0 HG2 LYS A 39 84.317 -0.957 -12.286 1.00 1.00 H new ATOM 0 HG3 LYS A 39 85.823 -1.133 -13.164 1.00 1.00 H new ATOM 0 HD2 LYS A 39 84.484 -1.298 -15.323 1.00 1.00 H new ATOM 0 HD3 LYS A 39 83.028 -0.978 -14.403 1.00 1.00 H new ATOM 0 HE2 LYS A 39 85.449 0.888 -14.341 1.00 1.00 H new ATOM 0 HE3 LYS A 39 84.145 1.080 -15.495 1.00 1.00 H new ATOM 0 HZ1 LYS A 39 83.666 2.435 -13.606 1.00 1.00 H new ATOM 0 HZ2 LYS A 39 82.581 1.131 -13.562 1.00 1.00 H new ATOM 0 HZ3 LYS A 39 83.924 1.153 -12.524 1.00 1.00 H new ATOM 612 N SER A 40 87.722 -2.464 -12.427 1.00 1.00 N ATOM 613 CA SER A 40 89.113 -2.368 -12.952 1.00 1.00 C ATOM 614 C SER A 40 89.979 -3.449 -12.301 1.00 1.00 C ATOM 615 O SER A 40 90.677 -4.184 -12.971 1.00 1.00 O ATOM 616 CB SER A 40 89.686 -0.987 -12.629 1.00 1.00 C ATOM 617 OG SER A 40 89.264 -0.062 -13.621 1.00 1.00 O ATOM 0 H SER A 40 87.427 -1.690 -11.832 1.00 1.00 H new ATOM 0 HA SER A 40 89.106 -2.512 -14.032 1.00 1.00 H new ATOM 0 HB2 SER A 40 89.349 -0.662 -11.645 1.00 1.00 H new ATOM 0 HB3 SER A 40 90.775 -1.031 -12.595 1.00 1.00 H new ATOM 0 HG SER A 40 89.942 0.638 -13.725 1.00 1.00 H new ATOM 623 N LYS A 41 89.941 -3.553 -11.000 1.00 1.00 N ATOM 624 CA LYS A 41 90.765 -4.589 -10.315 1.00 1.00 C ATOM 625 C LYS A 41 90.033 -5.935 -10.369 1.00 1.00 C ATOM 626 O LYS A 41 88.820 -5.984 -10.395 1.00 1.00 O ATOM 627 CB LYS A 41 90.982 -4.182 -8.855 1.00 1.00 C ATOM 628 CG LYS A 41 92.078 -3.117 -8.779 1.00 1.00 C ATOM 629 CD LYS A 41 92.337 -2.754 -7.316 1.00 1.00 C ATOM 630 CE LYS A 41 93.815 -2.975 -6.988 1.00 1.00 C ATOM 631 NZ LYS A 41 94.125 -4.432 -7.051 1.00 1.00 N ATOM 0 H LYS A 41 89.377 -2.967 -10.384 1.00 1.00 H new ATOM 0 HA LYS A 41 91.730 -4.679 -10.813 1.00 1.00 H new ATOM 0 HB2 LYS A 41 90.055 -3.795 -8.433 1.00 1.00 H new ATOM 0 HB3 LYS A 41 91.264 -5.052 -8.262 1.00 1.00 H new ATOM 0 HG2 LYS A 41 92.993 -3.488 -9.240 1.00 1.00 H new ATOM 0 HG3 LYS A 41 91.777 -2.230 -9.337 1.00 1.00 H new ATOM 0 HD2 LYS A 41 92.065 -1.714 -7.135 1.00 1.00 H new ATOM 0 HD3 LYS A 41 91.714 -3.365 -6.663 1.00 1.00 H new ATOM 0 HE2 LYS A 41 94.441 -2.428 -7.693 1.00 1.00 H new ATOM 0 HE3 LYS A 41 94.040 -2.587 -5.995 1.00 1.00 H new ATOM 0 HZ1 LYS A 41 94.958 -4.636 -6.462 1.00 1.00 H new ATOM 0 HZ2 LYS A 41 93.311 -4.976 -6.699 1.00 1.00 H new ATOM 0 HZ3 LYS A 41 94.323 -4.703 -8.036 1.00 1.00 H new ATOM 645 N PRO A 42 90.764 -7.021 -10.384 1.00 1.00 N ATOM 646 CA PRO A 42 90.167 -8.388 -10.435 1.00 1.00 C ATOM 647 C PRO A 42 89.447 -8.748 -9.129 1.00 1.00 C ATOM 648 O PRO A 42 89.680 -8.145 -8.100 1.00 1.00 O ATOM 649 CB PRO A 42 91.373 -9.309 -10.657 1.00 1.00 C ATOM 650 CG PRO A 42 92.549 -8.548 -10.141 1.00 1.00 C ATOM 651 CD PRO A 42 92.234 -7.065 -10.350 1.00 1.00 C ATOM 0 HA PRO A 42 89.411 -8.473 -11.216 1.00 1.00 H new ATOM 0 HB2 PRO A 42 91.251 -10.253 -10.125 1.00 1.00 H new ATOM 0 HB3 PRO A 42 91.494 -9.552 -11.713 1.00 1.00 H new ATOM 0 HG2 PRO A 42 92.718 -8.764 -9.086 1.00 1.00 H new ATOM 0 HG3 PRO A 42 93.457 -8.830 -10.673 1.00 1.00 H new ATOM 0 HD2 PRO A 42 92.634 -6.453 -9.542 1.00 1.00 H new ATOM 0 HD3 PRO A 42 92.667 -6.691 -11.278 1.00 1.00 H new ATOM 659 N PRO A 43 88.580 -9.725 -9.173 1.00 1.00 N ATOM 660 CA PRO A 43 87.815 -10.175 -7.974 1.00 1.00 C ATOM 661 C PRO A 43 88.692 -10.947 -6.982 1.00 1.00 C ATOM 662 O PRO A 43 89.301 -11.942 -7.323 1.00 1.00 O ATOM 663 CB PRO A 43 86.731 -11.086 -8.558 1.00 1.00 C ATOM 664 CG PRO A 43 87.305 -11.603 -9.835 1.00 1.00 C ATOM 665 CD PRO A 43 88.235 -10.511 -10.369 1.00 1.00 C ATOM 0 HA PRO A 43 87.417 -9.334 -7.406 1.00 1.00 H new ATOM 0 HB2 PRO A 43 86.491 -11.901 -7.875 1.00 1.00 H new ATOM 0 HB3 PRO A 43 85.807 -10.536 -8.735 1.00 1.00 H new ATOM 0 HG2 PRO A 43 87.853 -12.530 -9.666 1.00 1.00 H new ATOM 0 HG3 PRO A 43 86.516 -11.825 -10.553 1.00 1.00 H new ATOM 0 HD2 PRO A 43 89.123 -10.936 -10.838 1.00 1.00 H new ATOM 0 HD3 PRO A 43 87.740 -9.897 -11.122 1.00 1.00 H new ATOM 673 N LYS A 44 88.756 -10.496 -5.756 1.00 1.00 N ATOM 674 CA LYS A 44 89.588 -11.198 -4.733 1.00 1.00 C ATOM 675 C LYS A 44 88.668 -11.823 -3.682 1.00 1.00 C ATOM 676 O LYS A 44 89.110 -12.280 -2.647 1.00 1.00 O ATOM 677 CB LYS A 44 90.523 -10.189 -4.057 1.00 1.00 C ATOM 678 CG LYS A 44 91.734 -9.932 -4.956 1.00 1.00 C ATOM 679 CD LYS A 44 92.736 -9.040 -4.220 1.00 1.00 C ATOM 680 CE LYS A 44 93.994 -8.872 -5.074 1.00 1.00 C ATOM 681 NZ LYS A 44 93.663 -8.090 -6.299 1.00 1.00 N ATOM 0 H LYS A 44 88.266 -9.668 -5.418 1.00 1.00 H new ATOM 0 HA LYS A 44 90.181 -11.977 -5.212 1.00 1.00 H new ATOM 0 HB2 LYS A 44 89.993 -9.256 -3.868 1.00 1.00 H new ATOM 0 HB3 LYS A 44 90.850 -10.571 -3.090 1.00 1.00 H new ATOM 0 HG2 LYS A 44 92.204 -10.877 -5.229 1.00 1.00 H new ATOM 0 HG3 LYS A 44 91.417 -9.454 -5.883 1.00 1.00 H new ATOM 0 HD2 LYS A 44 92.290 -8.067 -4.015 1.00 1.00 H new ATOM 0 HD3 LYS A 44 92.994 -9.482 -3.257 1.00 1.00 H new ATOM 0 HE2 LYS A 44 94.769 -8.361 -4.502 1.00 1.00 H new ATOM 0 HE3 LYS A 44 94.392 -9.848 -5.350 1.00 1.00 H new ATOM 0 HZ1 LYS A 44 94.541 -7.758 -6.747 1.00 1.00 H new ATOM 0 HZ2 LYS A 44 93.141 -8.694 -6.966 1.00 1.00 H new ATOM 0 HZ3 LYS A 44 93.076 -7.272 -6.040 1.00 1.00 H new ATOM 695 N LYS A 45 87.391 -11.845 -3.943 1.00 1.00 N ATOM 696 CA LYS A 45 86.437 -12.438 -2.964 1.00 1.00 C ATOM 697 C LYS A 45 85.074 -12.623 -3.637 1.00 1.00 C ATOM 698 O LYS A 45 84.431 -13.643 -3.488 1.00 1.00 O ATOM 699 CB LYS A 45 86.295 -11.506 -1.757 1.00 1.00 C ATOM 700 CG LYS A 45 86.253 -10.053 -2.234 1.00 1.00 C ATOM 701 CD LYS A 45 86.096 -9.124 -1.030 1.00 1.00 C ATOM 702 CE LYS A 45 84.612 -8.984 -0.682 1.00 1.00 C ATOM 703 NZ LYS A 45 83.876 -8.441 -1.857 1.00 1.00 N ATOM 0 H LYS A 45 86.966 -11.477 -4.794 1.00 1.00 H new ATOM 0 HA LYS A 45 86.811 -13.405 -2.627 1.00 1.00 H new ATOM 0 HB2 LYS A 45 85.386 -11.745 -1.205 1.00 1.00 H new ATOM 0 HB3 LYS A 45 87.131 -11.651 -1.072 1.00 1.00 H new ATOM 0 HG2 LYS A 45 87.167 -9.811 -2.777 1.00 1.00 H new ATOM 0 HG3 LYS A 45 85.424 -9.911 -2.927 1.00 1.00 H new ATOM 0 HD2 LYS A 45 86.644 -9.522 -0.176 1.00 1.00 H new ATOM 0 HD3 LYS A 45 86.522 -8.146 -1.254 1.00 1.00 H new ATOM 0 HE2 LYS A 45 84.201 -9.953 -0.398 1.00 1.00 H new ATOM 0 HE3 LYS A 45 84.489 -8.322 0.175 1.00 1.00 H new ATOM 0 HZ1 LYS A 45 83.303 -7.625 -1.561 1.00 1.00 H new ATOM 0 HZ2 LYS A 45 84.556 -8.141 -2.584 1.00 1.00 H new ATOM 0 HZ3 LYS A 45 83.254 -9.177 -2.247 1.00 1.00 H new ATOM 717 N GLY A 46 84.630 -11.644 -4.379 1.00 1.00 N ATOM 718 CA GLY A 46 83.310 -11.763 -5.065 1.00 1.00 C ATOM 719 C GLY A 46 83.523 -12.297 -6.483 1.00 1.00 C ATOM 720 O GLY A 46 83.846 -11.559 -7.392 1.00 1.00 O ATOM 0 H GLY A 46 85.124 -10.766 -4.540 1.00 1.00 H new ATOM 0 HA2 GLY A 46 82.656 -12.433 -4.506 1.00 1.00 H new ATOM 0 HA3 GLY A 46 82.817 -10.792 -5.100 1.00 1.00 H new ATOM 724 N VAL A 47 83.346 -13.575 -6.678 1.00 1.00 N ATOM 725 CA VAL A 47 83.541 -14.155 -8.037 1.00 1.00 C ATOM 726 C VAL A 47 82.444 -13.646 -8.976 1.00 1.00 C ATOM 727 O VAL A 47 81.322 -14.106 -8.936 1.00 1.00 O ATOM 728 CB VAL A 47 83.484 -15.685 -7.954 1.00 1.00 C ATOM 729 CG1 VAL A 47 84.649 -16.195 -7.103 1.00 1.00 C ATOM 730 CG2 VAL A 47 82.161 -16.111 -7.313 1.00 1.00 C ATOM 0 H VAL A 47 83.075 -14.242 -5.956 1.00 1.00 H new ATOM 0 HA VAL A 47 84.513 -13.851 -8.425 1.00 1.00 H new ATOM 0 HB VAL A 47 83.556 -16.106 -8.957 1.00 1.00 H new ATOM 0 HG11 VAL A 47 84.608 -17.283 -7.044 1.00 1.00 H new ATOM 0 HG12 VAL A 47 85.592 -15.891 -7.558 1.00 1.00 H new ATOM 0 HG13 VAL A 47 84.578 -15.775 -6.100 1.00 1.00 H new ATOM 0 HG21 VAL A 47 82.119 -17.199 -7.253 1.00 1.00 H new ATOM 0 HG22 VAL A 47 82.090 -15.690 -6.310 1.00 1.00 H new ATOM 0 HG23 VAL A 47 81.330 -15.749 -7.918 1.00 1.00 H new ATOM 740 N GLN A 48 82.771 -12.697 -9.822 1.00 1.00 N ATOM 741 CA GLN A 48 81.766 -12.131 -10.783 1.00 1.00 C ATOM 742 C GLN A 48 80.341 -12.413 -10.295 1.00 1.00 C ATOM 743 O GLN A 48 79.773 -13.451 -10.573 1.00 1.00 O ATOM 744 CB GLN A 48 81.970 -12.748 -12.178 1.00 1.00 C ATOM 745 CG GLN A 48 82.684 -14.095 -12.045 1.00 1.00 C ATOM 746 CD GLN A 48 84.163 -13.860 -11.731 1.00 1.00 C ATOM 747 OE1 GLN A 48 84.754 -14.608 -10.840 1.00 1.00 O flip ATOM 748 NE2 GLN A 48 84.786 -12.988 -12.302 1.00 1.00 N flip ATOM 0 H GLN A 48 83.702 -12.285 -9.889 1.00 1.00 H new ATOM 0 HA GLN A 48 81.909 -11.052 -10.841 1.00 1.00 H new ATOM 0 HB2 GLN A 48 81.007 -12.883 -12.671 1.00 1.00 H new ATOM 0 HB3 GLN A 48 82.557 -12.074 -12.802 1.00 1.00 H new ATOM 0 HG2 GLN A 48 82.223 -14.686 -11.254 1.00 1.00 H new ATOM 0 HG3 GLN A 48 82.583 -14.665 -12.969 1.00 1.00 H new ATOM 0 HE21 GLN A 48 84.324 -12.404 -12.998 1.00 1.00 H new ATOM 0 HE22 GLN A 48 85.772 -12.840 -12.085 1.00 1.00 H new ATOM 757 N GLY A 49 79.761 -11.497 -9.568 1.00 1.00 N ATOM 758 CA GLY A 49 78.376 -11.712 -9.059 1.00 1.00 C ATOM 759 C GLY A 49 78.439 -12.382 -7.686 1.00 1.00 C ATOM 760 O GLY A 49 77.439 -12.825 -7.157 1.00 1.00 O ATOM 0 H GLY A 49 80.187 -10.608 -9.304 1.00 1.00 H new ATOM 0 HA2 GLY A 49 77.851 -10.760 -8.988 1.00 1.00 H new ATOM 0 HA3 GLY A 49 77.813 -12.335 -9.755 1.00 1.00 H new ATOM 764 N CYS A 50 79.612 -12.457 -7.109 1.00 1.00 N ATOM 765 CA CYS A 50 79.764 -13.096 -5.768 1.00 1.00 C ATOM 766 C CYS A 50 78.818 -14.294 -5.653 1.00 1.00 C ATOM 767 O CYS A 50 79.149 -15.397 -6.040 1.00 1.00 O ATOM 768 CB CYS A 50 79.439 -12.077 -4.671 1.00 1.00 C ATOM 769 SG CYS A 50 77.955 -11.148 -5.128 1.00 1.00 S ATOM 0 H CYS A 50 80.477 -12.100 -7.514 1.00 1.00 H new ATOM 0 HA CYS A 50 80.792 -13.438 -5.650 1.00 1.00 H new ATOM 0 HB2 CYS A 50 79.283 -12.588 -3.721 1.00 1.00 H new ATOM 0 HB3 CYS A 50 80.279 -11.396 -4.533 1.00 1.00 H new ATOM 774 N GLY A 51 77.642 -14.088 -5.124 1.00 1.00 N ATOM 775 CA GLY A 51 76.678 -15.218 -4.985 1.00 1.00 C ATOM 776 C GLY A 51 76.889 -15.905 -3.635 1.00 1.00 C ATOM 777 O GLY A 51 77.155 -17.088 -3.565 1.00 1.00 O ATOM 0 H GLY A 51 77.307 -13.187 -4.782 1.00 1.00 H new ATOM 0 HA2 GLY A 51 75.655 -14.849 -5.061 1.00 1.00 H new ATOM 0 HA3 GLY A 51 76.820 -15.933 -5.795 1.00 1.00 H new ATOM 781 N ASP A 52 76.774 -15.171 -2.561 1.00 1.00 N ATOM 782 CA ASP A 52 76.968 -15.778 -1.212 1.00 1.00 C ATOM 783 C ASP A 52 75.995 -15.137 -0.219 1.00 1.00 C ATOM 784 O ASP A 52 75.102 -15.782 0.293 1.00 1.00 O ATOM 785 CB ASP A 52 78.406 -15.534 -0.747 1.00 1.00 C ATOM 786 CG ASP A 52 78.571 -16.039 0.688 1.00 1.00 C ATOM 787 OD1 ASP A 52 78.148 -17.151 0.956 1.00 1.00 O ATOM 788 OD2 ASP A 52 79.118 -15.304 1.494 1.00 1.00 O ATOM 0 H ASP A 52 76.554 -14.175 -2.559 1.00 1.00 H new ATOM 0 HA ASP A 52 76.779 -16.850 -1.264 1.00 1.00 H new ATOM 0 HB2 ASP A 52 79.105 -16.048 -1.407 1.00 1.00 H new ATOM 0 HB3 ASP A 52 78.641 -14.471 -0.799 1.00 1.00 H new ATOM 793 N ASP A 53 76.161 -13.871 0.056 1.00 1.00 N ATOM 794 CA ASP A 53 75.246 -13.190 1.016 1.00 1.00 C ATOM 795 C ASP A 53 74.014 -12.674 0.270 1.00 1.00 C ATOM 796 O ASP A 53 73.701 -11.500 0.306 1.00 1.00 O ATOM 797 CB ASP A 53 75.976 -12.013 1.668 1.00 1.00 C ATOM 798 CG ASP A 53 77.005 -12.542 2.669 1.00 1.00 C ATOM 799 OD1 ASP A 53 76.765 -13.596 3.234 1.00 1.00 O ATOM 800 OD2 ASP A 53 78.015 -11.883 2.855 1.00 1.00 O ATOM 0 H ASP A 53 76.890 -13.280 -0.343 1.00 1.00 H new ATOM 0 HA ASP A 53 74.935 -13.897 1.785 1.00 1.00 H new ATOM 0 HB2 ASP A 53 76.471 -11.411 0.906 1.00 1.00 H new ATOM 0 HB3 ASP A 53 75.262 -11.363 2.174 1.00 1.00 H new ATOM 805 N ILE A 54 73.313 -13.544 -0.408 1.00 1.00 N ATOM 806 CA ILE A 54 72.098 -13.115 -1.161 1.00 1.00 C ATOM 807 C ILE A 54 70.921 -14.015 -0.773 1.00 1.00 C ATOM 808 O ILE A 54 70.573 -14.936 -1.485 1.00 1.00 O ATOM 809 CB ILE A 54 72.360 -13.240 -2.665 1.00 1.00 C ATOM 810 CG1 ILE A 54 73.531 -12.335 -3.054 1.00 1.00 C ATOM 811 CG2 ILE A 54 71.110 -12.815 -3.439 1.00 1.00 C ATOM 812 CD1 ILE A 54 74.848 -13.008 -2.663 1.00 1.00 C ATOM 0 H ILE A 54 73.531 -14.538 -0.473 1.00 1.00 H new ATOM 0 HA ILE A 54 71.863 -12.079 -0.918 1.00 1.00 H new ATOM 0 HB ILE A 54 72.602 -14.275 -2.907 1.00 1.00 H new ATOM 0 HG12 ILE A 54 73.514 -12.141 -4.126 1.00 1.00 H new ATOM 0 HG13 ILE A 54 73.441 -11.371 -2.554 1.00 1.00 H new ATOM 0 HG21 ILE A 54 71.297 -12.904 -4.509 1.00 1.00 H new ATOM 0 HG22 ILE A 54 70.274 -13.458 -3.162 1.00 1.00 H new ATOM 0 HG23 ILE A 54 70.867 -11.780 -3.198 1.00 1.00 H new ATOM 0 HD11 ILE A 54 75.682 -12.363 -2.940 1.00 1.00 H new ATOM 0 HD12 ILE A 54 74.864 -13.179 -1.587 1.00 1.00 H new ATOM 0 HD13 ILE A 54 74.938 -13.962 -3.183 1.00 1.00 H new ATOM 824 N PRO A 55 70.316 -13.751 0.356 1.00 1.00 N ATOM 825 CA PRO A 55 69.164 -14.545 0.861 1.00 1.00 C ATOM 826 C PRO A 55 67.828 -14.078 0.270 1.00 1.00 C ATOM 827 O PRO A 55 66.890 -14.842 0.154 1.00 1.00 O ATOM 828 CB PRO A 55 69.206 -14.289 2.367 1.00 1.00 C ATOM 829 CG PRO A 55 69.781 -12.917 2.511 1.00 1.00 C ATOM 830 CD PRO A 55 70.666 -12.664 1.285 1.00 1.00 C ATOM 0 HA PRO A 55 69.236 -15.598 0.588 1.00 1.00 H new ATOM 0 HB2 PRO A 55 68.210 -14.347 2.805 1.00 1.00 H new ATOM 0 HB3 PRO A 55 69.822 -15.030 2.876 1.00 1.00 H new ATOM 0 HG2 PRO A 55 68.988 -12.172 2.573 1.00 1.00 H new ATOM 0 HG3 PRO A 55 70.364 -12.839 3.429 1.00 1.00 H new ATOM 0 HD2 PRO A 55 70.468 -11.686 0.846 1.00 1.00 H new ATOM 0 HD3 PRO A 55 71.724 -12.688 1.546 1.00 1.00 H new ATOM 838 N GLY A 56 67.733 -12.830 -0.098 1.00 1.00 N ATOM 839 CA GLY A 56 66.457 -12.317 -0.673 1.00 1.00 C ATOM 840 C GLY A 56 66.375 -12.678 -2.158 1.00 1.00 C ATOM 841 O GLY A 56 65.306 -12.749 -2.730 1.00 1.00 O ATOM 0 H GLY A 56 68.484 -12.143 -0.026 1.00 1.00 H new ATOM 0 HA2 GLY A 56 65.609 -12.744 -0.138 1.00 1.00 H new ATOM 0 HA3 GLY A 56 66.400 -11.236 -0.549 1.00 1.00 H new ATOM 845 N MET A 57 67.496 -12.903 -2.789 1.00 1.00 N ATOM 846 CA MET A 57 67.477 -13.254 -4.237 1.00 1.00 C ATOM 847 C MET A 57 66.561 -12.280 -4.982 1.00 1.00 C ATOM 848 O MET A 57 65.420 -12.583 -5.272 1.00 1.00 O ATOM 849 CB MET A 57 66.959 -14.688 -4.408 1.00 1.00 C ATOM 850 CG MET A 57 67.409 -15.238 -5.763 1.00 1.00 C ATOM 851 SD MET A 57 66.580 -14.326 -7.089 1.00 1.00 S ATOM 852 CE MET A 57 65.105 -15.368 -7.194 1.00 1.00 C ATOM 0 H MET A 57 68.422 -12.859 -2.365 1.00 1.00 H new ATOM 0 HA MET A 57 68.485 -13.185 -4.645 1.00 1.00 H new ATOM 0 HB2 MET A 57 67.336 -15.320 -3.604 1.00 1.00 H new ATOM 0 HB3 MET A 57 65.871 -14.703 -4.341 1.00 1.00 H new ATOM 0 HG2 MET A 57 68.490 -15.145 -5.864 1.00 1.00 H new ATOM 0 HG3 MET A 57 67.172 -16.300 -5.834 1.00 1.00 H new ATOM 0 HE1 MET A 57 64.440 -14.981 -7.966 1.00 1.00 H new ATOM 0 HE2 MET A 57 65.397 -16.388 -7.445 1.00 1.00 H new ATOM 0 HE3 MET A 57 64.588 -15.364 -6.235 1.00 1.00 H new ATOM 862 N GLU A 58 67.052 -11.108 -5.290 1.00 1.00 N ATOM 863 CA GLU A 58 66.214 -10.106 -6.013 1.00 1.00 C ATOM 864 C GLU A 58 67.034 -9.470 -7.138 1.00 1.00 C ATOM 865 O GLU A 58 66.710 -9.599 -8.302 1.00 1.00 O ATOM 866 CB GLU A 58 65.760 -9.020 -5.033 1.00 1.00 C ATOM 867 CG GLU A 58 64.557 -8.276 -5.617 1.00 1.00 C ATOM 868 CD GLU A 58 63.328 -9.187 -5.584 1.00 1.00 C ATOM 869 OE1 GLU A 58 62.777 -9.367 -4.511 1.00 1.00 O ATOM 870 OE2 GLU A 58 62.959 -9.688 -6.634 1.00 1.00 O ATOM 0 H GLU A 58 68.000 -10.801 -5.071 1.00 1.00 H new ATOM 0 HA GLU A 58 65.340 -10.601 -6.438 1.00 1.00 H new ATOM 0 HB2 GLU A 58 65.494 -9.468 -4.075 1.00 1.00 H new ATOM 0 HB3 GLU A 58 66.576 -8.322 -4.843 1.00 1.00 H new ATOM 0 HG2 GLU A 58 64.365 -7.368 -5.045 1.00 1.00 H new ATOM 0 HG3 GLU A 58 64.768 -7.969 -6.641 1.00 1.00 H new ATOM 877 N GLY A 59 68.094 -8.783 -6.805 1.00 1.00 N ATOM 878 CA GLY A 59 68.924 -8.143 -7.867 1.00 1.00 C ATOM 879 C GLY A 59 70.321 -7.837 -7.323 1.00 1.00 C ATOM 880 O GLY A 59 70.475 -7.364 -6.215 1.00 1.00 O ATOM 0 H GLY A 59 68.420 -8.638 -5.849 1.00 1.00 H new ATOM 0 HA2 GLY A 59 68.997 -8.804 -8.731 1.00 1.00 H new ATOM 0 HA3 GLY A 59 68.448 -7.224 -8.208 1.00 1.00 H new ATOM 884 N CYS A 60 71.339 -8.101 -8.100 1.00 1.00 N ATOM 885 CA CYS A 60 72.730 -7.824 -7.637 1.00 1.00 C ATOM 886 C CYS A 60 72.978 -8.541 -6.307 1.00 1.00 C ATOM 887 O CYS A 60 73.571 -9.600 -6.262 1.00 1.00 O ATOM 888 CB CYS A 60 72.915 -6.314 -7.448 1.00 1.00 C ATOM 889 SG CYS A 60 73.611 -5.599 -8.958 1.00 1.00 S ATOM 0 H CYS A 60 71.266 -8.497 -9.037 1.00 1.00 H new ATOM 0 HA CYS A 60 73.439 -8.186 -8.381 1.00 1.00 H new ATOM 0 HB2 CYS A 60 71.958 -5.845 -7.218 1.00 1.00 H new ATOM 0 HB3 CYS A 60 73.576 -6.121 -6.603 1.00 1.00 H new ATOM 894 N GLY A 61 72.526 -7.968 -5.228 1.00 1.00 N ATOM 895 CA GLY A 61 72.725 -8.602 -3.896 1.00 1.00 C ATOM 896 C GLY A 61 71.552 -8.224 -2.996 1.00 1.00 C ATOM 897 O GLY A 61 71.723 -7.860 -1.850 1.00 1.00 O ATOM 0 H GLY A 61 72.023 -7.081 -5.212 1.00 1.00 H new ATOM 0 HA2 GLY A 61 72.789 -9.685 -3.999 1.00 1.00 H new ATOM 0 HA3 GLY A 61 73.664 -8.267 -3.454 1.00 1.00 H new ATOM 901 N THR A 62 70.358 -8.303 -3.517 1.00 1.00 N ATOM 902 CA THR A 62 69.161 -7.946 -2.709 1.00 1.00 C ATOM 903 C THR A 62 69.373 -6.592 -2.045 1.00 1.00 C ATOM 904 O THR A 62 68.802 -6.305 -1.015 1.00 1.00 O ATOM 905 CB THR A 62 68.925 -9.009 -1.638 1.00 1.00 C ATOM 906 OG1 THR A 62 70.149 -9.289 -0.974 1.00 1.00 O ATOM 907 CG2 THR A 62 68.392 -10.285 -2.291 1.00 1.00 C ATOM 0 H THR A 62 70.161 -8.601 -4.472 1.00 1.00 H new ATOM 0 HA THR A 62 68.291 -7.894 -3.364 1.00 1.00 H new ATOM 0 HB THR A 62 68.195 -8.642 -0.916 1.00 1.00 H new ATOM 0 HG1 THR A 62 70.724 -8.496 -1.000 1.00 1.00 H new ATOM 0 HG21 THR A 62 68.224 -11.043 -1.526 1.00 1.00 H new ATOM 0 HG22 THR A 62 67.453 -10.068 -2.799 1.00 1.00 H new ATOM 0 HG23 THR A 62 69.119 -10.655 -3.014 1.00 1.00 H new ATOM 915 N ASP A 63 70.180 -5.751 -2.628 1.00 1.00 N ATOM 916 CA ASP A 63 70.405 -4.412 -2.024 1.00 1.00 C ATOM 917 C ASP A 63 69.086 -3.643 -2.049 1.00 1.00 C ATOM 918 O ASP A 63 68.945 -2.656 -2.741 1.00 1.00 O ATOM 919 CB ASP A 63 71.460 -3.652 -2.829 1.00 1.00 C ATOM 920 CG ASP A 63 71.123 -3.732 -4.319 1.00 1.00 C ATOM 921 OD1 ASP A 63 71.573 -4.668 -4.959 1.00 1.00 O ATOM 922 OD2 ASP A 63 70.420 -2.856 -4.795 1.00 1.00 O ATOM 0 H ASP A 63 70.691 -5.933 -3.492 1.00 1.00 H new ATOM 0 HA ASP A 63 70.757 -4.520 -0.998 1.00 1.00 H new ATOM 0 HB2 ASP A 63 71.496 -2.611 -2.509 1.00 1.00 H new ATOM 0 HB3 ASP A 63 72.447 -4.076 -2.646 1.00 1.00 H new ATOM 927 N ILE A 64 68.115 -4.102 -1.305 1.00 1.00 N ATOM 928 CA ILE A 64 66.790 -3.423 -1.275 1.00 1.00 C ATOM 929 C ILE A 64 66.198 -3.572 0.124 1.00 1.00 C ATOM 930 O ILE A 64 65.442 -2.741 0.584 1.00 1.00 O ATOM 931 CB ILE A 64 65.856 -4.080 -2.298 1.00 1.00 C ATOM 932 CG1 ILE A 64 66.249 -3.631 -3.707 1.00 1.00 C ATOM 933 CG2 ILE A 64 64.412 -3.661 -2.015 1.00 1.00 C ATOM 934 CD1 ILE A 64 65.451 -4.430 -4.739 1.00 1.00 C ATOM 0 H ILE A 64 68.186 -4.928 -0.711 1.00 1.00 H new ATOM 0 HA ILE A 64 66.905 -2.367 -1.521 1.00 1.00 H new ATOM 0 HB ILE A 64 65.941 -5.164 -2.223 1.00 1.00 H new ATOM 0 HG12 ILE A 64 66.055 -2.565 -3.828 1.00 1.00 H new ATOM 0 HG13 ILE A 64 67.317 -3.780 -3.863 1.00 1.00 H new ATOM 0 HG21 ILE A 64 63.748 -4.128 -2.743 1.00 1.00 H new ATOM 0 HG22 ILE A 64 64.131 -3.979 -1.011 1.00 1.00 H new ATOM 0 HG23 ILE A 64 64.326 -2.577 -2.090 1.00 1.00 H new ATOM 0 HD11 ILE A 64 65.731 -4.110 -5.743 1.00 1.00 H new ATOM 0 HD12 ILE A 64 65.667 -5.492 -4.623 1.00 1.00 H new ATOM 0 HD13 ILE A 64 64.385 -4.258 -4.588 1.00 1.00 H new ATOM 946 N THR A 65 66.541 -4.633 0.799 1.00 1.00 N ATOM 947 CA THR A 65 66.010 -4.860 2.172 1.00 1.00 C ATOM 948 C THR A 65 67.165 -5.233 3.098 1.00 1.00 C ATOM 949 O THR A 65 67.159 -4.924 4.273 1.00 1.00 O ATOM 950 CB THR A 65 65.007 -6.009 2.136 1.00 1.00 C ATOM 951 OG1 THR A 65 64.001 -5.726 1.174 1.00 1.00 O ATOM 952 CG2 THR A 65 64.366 -6.174 3.515 1.00 1.00 C ATOM 0 H THR A 65 67.171 -5.358 0.456 1.00 1.00 H new ATOM 0 HA THR A 65 65.522 -3.955 2.535 1.00 1.00 H new ATOM 0 HB THR A 65 65.520 -6.932 1.865 1.00 1.00 H new ATOM 0 HG1 THR A 65 63.356 -6.464 1.148 1.00 1.00 H new ATOM 0 HG21 THR A 65 63.650 -6.995 3.487 1.00 1.00 H new ATOM 0 HG22 THR A 65 65.139 -6.391 4.252 1.00 1.00 H new ATOM 0 HG23 THR A 65 63.852 -5.253 3.790 1.00 1.00 H new ATOM 960 N VAL A 66 68.154 -5.904 2.577 1.00 1.00 N ATOM 961 CA VAL A 66 69.306 -6.304 3.427 1.00 1.00 C ATOM 962 C VAL A 66 70.223 -5.101 3.654 1.00 1.00 C ATOM 963 O VAL A 66 70.641 -4.843 4.765 1.00 1.00 O ATOM 964 CB VAL A 66 70.092 -7.429 2.742 1.00 1.00 C ATOM 965 CG1 VAL A 66 69.480 -8.781 3.114 1.00 1.00 C ATOM 966 CG2 VAL A 66 70.029 -7.243 1.225 1.00 1.00 C ATOM 0 H VAL A 66 68.213 -6.192 1.600 1.00 1.00 H new ATOM 0 HA VAL A 66 68.934 -6.660 4.388 1.00 1.00 H new ATOM 0 HB VAL A 66 71.131 -7.398 3.071 1.00 1.00 H new ATOM 0 HG11 VAL A 66 70.039 -9.580 2.627 1.00 1.00 H new ATOM 0 HG12 VAL A 66 69.523 -8.915 4.195 1.00 1.00 H new ATOM 0 HG13 VAL A 66 68.441 -8.813 2.786 1.00 1.00 H new ATOM 0 HG21 VAL A 66 70.587 -8.042 0.737 1.00 1.00 H new ATOM 0 HG22 VAL A 66 68.990 -7.274 0.897 1.00 1.00 H new ATOM 0 HG23 VAL A 66 70.465 -6.280 0.958 1.00 1.00 H new ATOM 976 N ILE A 67 70.552 -4.359 2.620 1.00 1.00 N ATOM 977 CA ILE A 67 71.456 -3.183 2.833 1.00 1.00 C ATOM 978 C ILE A 67 70.962 -1.939 2.087 1.00 1.00 C ATOM 979 O ILE A 67 71.393 -1.648 0.991 1.00 1.00 O ATOM 980 CB ILE A 67 72.863 -3.511 2.332 1.00 1.00 C ATOM 981 CG1 ILE A 67 73.334 -4.823 2.963 1.00 1.00 C ATOM 982 CG2 ILE A 67 73.821 -2.385 2.725 1.00 1.00 C ATOM 983 CD1 ILE A 67 74.605 -5.302 2.257 1.00 1.00 C ATOM 0 H ILE A 67 70.242 -4.512 1.660 1.00 1.00 H new ATOM 0 HA ILE A 67 71.462 -2.973 3.903 1.00 1.00 H new ATOM 0 HB ILE A 67 72.848 -3.612 1.247 1.00 1.00 H new ATOM 0 HG12 ILE A 67 73.528 -4.679 4.026 1.00 1.00 H new ATOM 0 HG13 ILE A 67 72.553 -5.579 2.881 1.00 1.00 H new ATOM 0 HG21 ILE A 67 74.824 -2.619 2.368 1.00 1.00 H new ATOM 0 HG22 ILE A 67 73.486 -1.449 2.278 1.00 1.00 H new ATOM 0 HG23 ILE A 67 73.837 -2.283 3.810 1.00 1.00 H new ATOM 0 HD11 ILE A 67 74.941 -6.237 2.706 1.00 1.00 H new ATOM 0 HD12 ILE A 67 74.395 -5.463 1.199 1.00 1.00 H new ATOM 0 HD13 ILE A 67 75.385 -4.548 2.362 1.00 1.00 H new ATOM 995 N CYS A 68 70.110 -1.176 2.710 1.00 1.00 N ATOM 996 CA CYS A 68 69.617 0.094 2.103 1.00 1.00 C ATOM 997 C CYS A 68 69.870 1.228 3.110 1.00 1.00 C ATOM 998 O CYS A 68 70.289 0.976 4.221 1.00 1.00 O ATOM 999 CB CYS A 68 68.123 -0.049 1.799 1.00 1.00 C ATOM 1000 SG CYS A 68 67.902 -1.149 0.379 1.00 1.00 S ATOM 0 H CYS A 68 69.726 -1.382 3.632 1.00 1.00 H new ATOM 0 HA CYS A 68 70.136 0.318 1.171 1.00 1.00 H new ATOM 0 HB2 CYS A 68 67.600 -0.449 2.668 1.00 1.00 H new ATOM 0 HB3 CYS A 68 67.688 0.928 1.587 1.00 1.00 H new ATOM 1005 N PRO A 69 69.662 2.478 2.754 1.00 1.00 N ATOM 1006 CA PRO A 69 69.924 3.618 3.680 1.00 1.00 C ATOM 1007 C PRO A 69 69.593 3.312 5.146 1.00 1.00 C ATOM 1008 O PRO A 69 70.268 3.779 6.042 1.00 1.00 O ATOM 1009 CB PRO A 69 69.033 4.718 3.124 1.00 1.00 C ATOM 1010 CG PRO A 69 69.045 4.478 1.649 1.00 1.00 C ATOM 1011 CD PRO A 69 69.161 2.958 1.455 1.00 1.00 C ATOM 0 HA PRO A 69 70.982 3.878 3.713 1.00 1.00 H new ATOM 0 HB2 PRO A 69 68.023 4.658 3.530 1.00 1.00 H new ATOM 0 HB3 PRO A 69 69.418 5.707 3.371 1.00 1.00 H new ATOM 0 HG2 PRO A 69 68.135 4.860 1.186 1.00 1.00 H new ATOM 0 HG3 PRO A 69 69.882 4.994 1.179 1.00 1.00 H new ATOM 0 HD2 PRO A 69 68.198 2.511 1.207 1.00 1.00 H new ATOM 0 HD3 PRO A 69 69.846 2.709 0.645 1.00 1.00 H new ATOM 1019 N TRP A 70 68.577 2.534 5.416 1.00 1.00 N ATOM 1020 CA TRP A 70 68.264 2.231 6.843 1.00 1.00 C ATOM 1021 C TRP A 70 69.278 1.216 7.375 1.00 1.00 C ATOM 1022 O TRP A 70 69.117 0.658 8.442 1.00 1.00 O ATOM 1023 CB TRP A 70 66.838 1.680 6.987 1.00 1.00 C ATOM 1024 CG TRP A 70 66.578 0.663 5.923 1.00 1.00 C ATOM 1025 CD1 TRP A 70 67.334 -0.436 5.697 1.00 1.00 C ATOM 1026 CD2 TRP A 70 65.502 0.629 4.939 1.00 1.00 C ATOM 1027 NE1 TRP A 70 66.793 -1.142 4.639 1.00 1.00 N ATOM 1028 CE2 TRP A 70 65.664 -0.527 4.137 1.00 1.00 C ATOM 1029 CE3 TRP A 70 64.416 1.478 4.668 1.00 1.00 C ATOM 1030 CZ2 TRP A 70 64.775 -0.828 3.101 1.00 1.00 C ATOM 1031 CZ3 TRP A 70 63.522 1.179 3.629 1.00 1.00 C ATOM 1032 CH2 TRP A 70 63.700 0.030 2.847 1.00 1.00 C ATOM 0 H TRP A 70 67.962 2.103 4.726 1.00 1.00 H new ATOM 0 HA TRP A 70 68.327 3.152 7.422 1.00 1.00 H new ATOM 0 HB2 TRP A 70 66.710 1.230 7.972 1.00 1.00 H new ATOM 0 HB3 TRP A 70 66.115 2.492 6.911 1.00 1.00 H new ATOM 0 HD1 TRP A 70 68.217 -0.716 6.253 1.00 1.00 H new ATOM 0 HE1 TRP A 70 67.181 -2.012 4.274 1.00 1.00 H new ATOM 0 HE3 TRP A 70 64.268 2.367 5.264 1.00 1.00 H new ATOM 0 HZ2 TRP A 70 64.917 -1.715 2.502 1.00 1.00 H new ATOM 0 HZ3 TRP A 70 62.691 1.839 3.430 1.00 1.00 H new ATOM 0 HH2 TRP A 70 63.008 -0.193 2.049 1.00 1.00 H new ATOM 1043 N GLU A 71 70.331 0.984 6.636 1.00 1.00 N ATOM 1044 CA GLU A 71 71.378 0.021 7.082 1.00 1.00 C ATOM 1045 C GLU A 71 72.748 0.592 6.711 1.00 1.00 C ATOM 1046 O GLU A 71 73.770 -0.042 6.887 1.00 1.00 O ATOM 1047 CB GLU A 71 71.170 -1.324 6.371 1.00 1.00 C ATOM 1048 CG GLU A 71 70.239 -2.208 7.203 1.00 1.00 C ATOM 1049 CD GLU A 71 71.071 -3.158 8.066 1.00 1.00 C ATOM 1050 OE1 GLU A 71 71.876 -2.670 8.842 1.00 1.00 O ATOM 1051 OE2 GLU A 71 70.890 -4.357 7.936 1.00 1.00 O ATOM 0 H GLU A 71 70.511 1.425 5.734 1.00 1.00 H new ATOM 0 HA GLU A 71 71.316 -0.133 8.159 1.00 1.00 H new ATOM 0 HB2 GLU A 71 70.744 -1.161 5.381 1.00 1.00 H new ATOM 0 HB3 GLU A 71 72.129 -1.823 6.227 1.00 1.00 H new ATOM 0 HG2 GLU A 71 69.602 -1.589 7.835 1.00 1.00 H new ATOM 0 HG3 GLU A 71 69.580 -2.778 6.548 1.00 1.00 H new ATOM 1058 N ALA A 72 72.768 1.788 6.191 1.00 1.00 N ATOM 1059 CA ALA A 72 74.057 2.417 5.794 1.00 1.00 C ATOM 1060 C ALA A 72 74.988 2.518 7.004 1.00 1.00 C ATOM 1061 O ALA A 72 75.094 3.550 7.636 1.00 1.00 O ATOM 1062 CB ALA A 72 73.790 3.818 5.241 1.00 1.00 C ATOM 0 H ALA A 72 71.940 2.360 6.023 1.00 1.00 H new ATOM 0 HA ALA A 72 74.532 1.803 5.029 1.00 1.00 H new ATOM 0 HB1 ALA A 72 74.733 4.280 4.950 1.00 1.00 H new ATOM 0 HB2 ALA A 72 73.137 3.747 4.371 1.00 1.00 H new ATOM 0 HB3 ALA A 72 73.309 4.426 6.007 1.00 1.00 H new ATOM 1068 N CYS A 73 75.676 1.456 7.319 1.00 1.00 N ATOM 1069 CA CYS A 73 76.618 1.486 8.473 1.00 1.00 C ATOM 1070 C CYS A 73 77.725 2.509 8.204 1.00 1.00 C ATOM 1071 O CYS A 73 78.759 2.497 8.840 1.00 1.00 O ATOM 1072 CB CYS A 73 77.247 0.102 8.654 1.00 1.00 C ATOM 1073 SG CYS A 73 75.987 -1.173 8.403 1.00 1.00 S ATOM 0 HA CYS A 73 76.074 1.764 9.376 1.00 1.00 H new ATOM 0 HB2 CYS A 73 78.063 -0.034 7.944 1.00 1.00 H new ATOM 0 HB3 CYS A 73 77.675 0.013 9.653 1.00 1.00 H new ATOM 1078 N ASN A 74 77.524 3.386 7.257 1.00 1.00 N ATOM 1079 CA ASN A 74 78.572 4.398 6.940 1.00 1.00 C ATOM 1080 C ASN A 74 79.822 3.679 6.427 1.00 1.00 C ATOM 1081 O ASN A 74 79.756 2.880 5.514 1.00 1.00 O ATOM 1082 CB ASN A 74 78.914 5.202 8.199 1.00 1.00 C ATOM 1083 CG ASN A 74 79.601 6.509 7.798 1.00 1.00 C ATOM 1084 OD1 ASN A 74 79.703 7.423 8.592 1.00 1.00 O ATOM 1085 ND2 ASN A 74 80.081 6.636 6.591 1.00 1.00 N ATOM 0 H ASN A 74 76.679 3.445 6.689 1.00 1.00 H new ATOM 0 HA ASN A 74 78.203 5.081 6.175 1.00 1.00 H new ATOM 0 HB2 ASN A 74 78.007 5.414 8.766 1.00 1.00 H new ATOM 0 HB3 ASN A 74 79.567 4.620 8.849 1.00 1.00 H new ATOM 0 HD21 ASN A 74 80.542 7.503 6.314 1.00 1.00 H new ATOM 0 HD22 ASN A 74 79.995 5.868 5.925 1.00 1.00 H new ATOM 1092 N HIS A 75 80.961 3.950 7.007 1.00 1.00 N ATOM 1093 CA HIS A 75 82.210 3.275 6.550 1.00 1.00 C ATOM 1094 C HIS A 75 82.496 2.071 7.449 1.00 1.00 C ATOM 1095 O HIS A 75 83.579 1.521 7.437 1.00 1.00 O ATOM 1096 CB HIS A 75 83.380 4.257 6.628 1.00 1.00 C ATOM 1097 CG HIS A 75 84.561 3.689 5.889 1.00 1.00 C ATOM 1098 ND1 HIS A 75 84.547 2.416 5.340 1.00 1.00 N ATOM 1099 CD2 HIS A 75 85.799 4.210 5.601 1.00 1.00 C ATOM 1100 CE1 HIS A 75 85.740 2.212 4.755 1.00 1.00 C ATOM 1101 NE2 HIS A 75 86.539 3.273 4.885 1.00 1.00 N ATOM 0 H HIS A 75 81.080 4.609 7.777 1.00 1.00 H new ATOM 0 HA HIS A 75 82.085 2.940 5.520 1.00 1.00 H new ATOM 0 HB2 HIS A 75 83.094 5.216 6.196 1.00 1.00 H new ATOM 0 HB3 HIS A 75 83.644 4.443 7.669 1.00 1.00 H new ATOM 0 HD2 HIS A 75 86.144 5.193 5.886 1.00 1.00 H new ATOM 0 HE1 HIS A 75 86.017 1.302 4.243 1.00 1.00 H new ATOM 0 HE2 HIS A 75 87.491 3.376 4.534 1.00 1.00 H new ATOM 1110 N CYS A 76 81.532 1.659 8.230 1.00 1.00 N ATOM 1111 CA CYS A 76 81.742 0.491 9.134 1.00 1.00 C ATOM 1112 C CYS A 76 82.696 0.885 10.264 1.00 1.00 C ATOM 1113 O CYS A 76 82.457 0.597 11.419 1.00 1.00 O ATOM 1114 CB CYS A 76 82.340 -0.672 8.336 1.00 1.00 C ATOM 1115 SG CYS A 76 81.661 -0.664 6.658 1.00 1.00 S ATOM 0 H CYS A 76 80.606 2.083 8.280 1.00 1.00 H new ATOM 0 HA CYS A 76 80.787 0.183 9.559 1.00 1.00 H new ATOM 0 HB2 CYS A 76 83.426 -0.583 8.301 1.00 1.00 H new ATOM 0 HB3 CYS A 76 82.114 -1.618 8.827 1.00 1.00 H new ATOM 1120 N GLU A 77 83.774 1.543 9.940 1.00 1.00 N ATOM 1121 CA GLU A 77 84.740 1.957 10.997 1.00 1.00 C ATOM 1122 C GLU A 77 84.135 3.097 11.820 1.00 1.00 C ATOM 1123 O GLU A 77 84.326 3.182 13.016 1.00 1.00 O ATOM 1124 CB GLU A 77 86.040 2.430 10.342 1.00 1.00 C ATOM 1125 CG GLU A 77 87.151 2.486 11.392 1.00 1.00 C ATOM 1126 CD GLU A 77 87.618 1.066 11.718 1.00 1.00 C ATOM 1127 OE1 GLU A 77 88.106 0.402 10.817 1.00 1.00 O ATOM 1128 OE2 GLU A 77 87.481 0.666 12.862 1.00 1.00 O ATOM 0 H GLU A 77 84.028 1.812 8.990 1.00 1.00 H new ATOM 0 HA GLU A 77 84.952 1.111 11.651 1.00 1.00 H new ATOM 0 HB2 GLU A 77 86.321 1.752 9.536 1.00 1.00 H new ATOM 0 HB3 GLU A 77 85.897 3.414 9.896 1.00 1.00 H new ATOM 0 HG2 GLU A 77 87.987 3.079 11.021 1.00 1.00 H new ATOM 0 HG3 GLU A 77 86.788 2.977 12.295 1.00 1.00 H new ATOM 1135 N LEU A 78 83.405 3.974 11.184 1.00 1.00 N ATOM 1136 CA LEU A 78 82.782 5.111 11.921 1.00 1.00 C ATOM 1137 C LEU A 78 81.357 4.726 12.333 1.00 1.00 C ATOM 1138 O LEU A 78 81.095 4.435 13.483 1.00 1.00 O ATOM 1139 CB LEU A 78 82.748 6.341 11.008 1.00 1.00 C ATOM 1140 CG LEU A 78 84.116 7.025 11.023 1.00 1.00 C ATOM 1141 CD1 LEU A 78 85.170 6.075 10.452 1.00 1.00 C ATOM 1142 CD2 LEU A 78 84.059 8.294 10.169 1.00 1.00 C ATOM 0 H LEU A 78 83.213 3.951 10.182 1.00 1.00 H new ATOM 0 HA LEU A 78 83.363 5.340 12.814 1.00 1.00 H new ATOM 0 HB2 LEU A 78 82.488 6.046 9.991 1.00 1.00 H new ATOM 0 HB3 LEU A 78 81.978 7.036 11.344 1.00 1.00 H new ATOM 0 HG LEU A 78 84.380 7.286 12.048 1.00 1.00 H new ATOM 0 HD11 LEU A 78 86.144 6.563 10.463 1.00 1.00 H new ATOM 0 HD12 LEU A 78 85.211 5.170 11.058 1.00 1.00 H new ATOM 0 HD13 LEU A 78 84.907 5.813 9.427 1.00 1.00 H new ATOM 0 HD21 LEU A 78 85.033 8.783 10.178 1.00 1.00 H new ATOM 0 HD22 LEU A 78 83.795 8.032 9.145 1.00 1.00 H new ATOM 0 HD23 LEU A 78 83.309 8.972 10.575 1.00 1.00 H new ATOM 1154 N HIS A 79 80.441 4.711 11.397 1.00 1.00 N ATOM 1155 CA HIS A 79 79.027 4.330 11.713 1.00 1.00 C ATOM 1156 C HIS A 79 78.253 5.535 12.261 1.00 1.00 C ATOM 1157 O HIS A 79 77.397 5.392 13.111 1.00 1.00 O ATOM 1158 CB HIS A 79 79.008 3.193 12.746 1.00 1.00 C ATOM 1159 CG HIS A 79 77.783 2.346 12.537 1.00 1.00 C ATOM 1160 ND1 HIS A 79 76.601 2.868 12.032 1.00 1.00 N ATOM 1161 CD2 HIS A 79 77.540 1.012 12.760 1.00 1.00 C ATOM 1162 CE1 HIS A 79 75.708 1.864 11.967 1.00 1.00 C ATOM 1163 NE2 HIS A 79 76.230 0.714 12.398 1.00 1.00 N ATOM 0 H HIS A 79 80.612 4.948 10.420 1.00 1.00 H new ATOM 0 HA HIS A 79 78.548 3.993 10.794 1.00 1.00 H new ATOM 0 HB2 HIS A 79 79.906 2.583 12.648 1.00 1.00 H new ATOM 0 HB3 HIS A 79 79.011 3.604 13.755 1.00 1.00 H new ATOM 0 HD2 HIS A 79 78.255 0.305 13.155 1.00 1.00 H new ATOM 0 HE1 HIS A 79 74.695 1.975 11.610 1.00 1.00 H new ATOM 0 HE2 HIS A 79 75.766 -0.193 12.451 1.00 1.00 H new ATOM 1172 N GLU A 80 78.525 6.717 11.774 1.00 1.00 N ATOM 1173 CA GLU A 80 77.776 7.910 12.268 1.00 1.00 C ATOM 1174 C GLU A 80 78.110 9.127 11.401 1.00 1.00 C ATOM 1175 O GLU A 80 77.519 10.180 11.539 1.00 1.00 O ATOM 1176 CB GLU A 80 78.132 8.184 13.740 1.00 1.00 C ATOM 1177 CG GLU A 80 79.425 8.998 13.817 1.00 1.00 C ATOM 1178 CD GLU A 80 80.538 8.262 13.071 1.00 1.00 C ATOM 1179 OE1 GLU A 80 80.605 7.050 13.192 1.00 1.00 O ATOM 1180 OE2 GLU A 80 81.306 8.922 12.390 1.00 1.00 O ATOM 0 H GLU A 80 79.228 6.908 11.060 1.00 1.00 H new ATOM 0 HA GLU A 80 76.706 7.715 12.201 1.00 1.00 H new ATOM 0 HB2 GLU A 80 77.320 8.726 14.225 1.00 1.00 H new ATOM 0 HB3 GLU A 80 78.252 7.243 14.276 1.00 1.00 H new ATOM 0 HG2 GLU A 80 79.272 9.985 13.381 1.00 1.00 H new ATOM 0 HG3 GLU A 80 79.710 9.150 14.858 1.00 1.00 H new ATOM 1187 N LEU A 81 79.051 8.990 10.504 1.00 1.00 N ATOM 1188 CA LEU A 81 79.422 10.137 9.622 1.00 1.00 C ATOM 1189 C LEU A 81 78.745 9.962 8.258 1.00 1.00 C ATOM 1190 O LEU A 81 79.114 10.590 7.286 1.00 1.00 O ATOM 1191 CB LEU A 81 80.951 10.161 9.448 1.00 1.00 C ATOM 1192 CG LEU A 81 81.479 11.574 9.703 1.00 1.00 C ATOM 1193 CD1 LEU A 81 80.866 12.540 8.688 1.00 1.00 C ATOM 1194 CD2 LEU A 81 81.095 12.012 11.118 1.00 1.00 C ATOM 0 H LEU A 81 79.580 8.132 10.344 1.00 1.00 H new ATOM 0 HA LEU A 81 79.093 11.075 10.069 1.00 1.00 H new ATOM 0 HB2 LEU A 81 81.416 9.459 10.140 1.00 1.00 H new ATOM 0 HB3 LEU A 81 81.217 9.840 8.441 1.00 1.00 H new ATOM 0 HG LEU A 81 82.564 11.580 9.600 1.00 1.00 H new ATOM 0 HD11 LEU A 81 81.243 13.547 8.870 1.00 1.00 H new ATOM 0 HD12 LEU A 81 81.137 12.228 7.679 1.00 1.00 H new ATOM 0 HD13 LEU A 81 79.781 12.535 8.790 1.00 1.00 H new ATOM 0 HD21 LEU A 81 81.470 13.019 11.302 1.00 1.00 H new ATOM 0 HD22 LEU A 81 80.010 12.005 11.219 1.00 1.00 H new ATOM 0 HD23 LEU A 81 81.531 11.324 11.843 1.00 1.00 H new ATOM 1206 N ALA A 82 77.759 9.111 8.179 1.00 1.00 N ATOM 1207 CA ALA A 82 77.061 8.893 6.879 1.00 1.00 C ATOM 1208 C ALA A 82 76.279 10.151 6.492 1.00 1.00 C ATOM 1209 O ALA A 82 75.408 10.115 5.645 1.00 1.00 O ATOM 1210 CB ALA A 82 76.094 7.715 7.013 1.00 1.00 C ATOM 0 H ALA A 82 77.406 8.556 8.959 1.00 1.00 H new ATOM 0 HA ALA A 82 77.799 8.677 6.107 1.00 1.00 H new ATOM 0 HB1 ALA A 82 75.583 7.554 6.064 1.00 1.00 H new ATOM 0 HB2 ALA A 82 76.650 6.817 7.283 1.00 1.00 H new ATOM 0 HB3 ALA A 82 75.359 7.934 7.788 1.00 1.00 H new ATOM 1216 N GLN A 83 76.582 11.263 7.102 1.00 1.00 N ATOM 1217 CA GLN A 83 75.856 12.519 6.764 1.00 1.00 C ATOM 1218 C GLN A 83 75.947 12.766 5.256 1.00 1.00 C ATOM 1219 O GLN A 83 75.013 13.234 4.636 1.00 1.00 O ATOM 1220 CB GLN A 83 76.492 13.692 7.514 1.00 1.00 C ATOM 1221 CG GLN A 83 75.567 14.908 7.441 1.00 1.00 C ATOM 1222 CD GLN A 83 74.320 14.654 8.291 1.00 1.00 C ATOM 1223 OE1 GLN A 83 74.269 13.702 9.045 1.00 1.00 O ATOM 1224 NE2 GLN A 83 73.306 15.470 8.200 1.00 1.00 N ATOM 0 H GLN A 83 77.301 11.356 7.820 1.00 1.00 H new ATOM 0 HA GLN A 83 74.810 12.427 7.056 1.00 1.00 H new ATOM 0 HB2 GLN A 83 76.669 13.419 8.554 1.00 1.00 H new ATOM 0 HB3 GLN A 83 77.462 13.933 7.078 1.00 1.00 H new ATOM 0 HG2 GLN A 83 76.088 15.796 7.798 1.00 1.00 H new ATOM 0 HG3 GLN A 83 75.282 15.100 6.407 1.00 1.00 H new ATOM 0 HE21 GLN A 83 73.349 16.269 7.567 1.00 1.00 H new ATOM 0 HE22 GLN A 83 72.470 15.309 8.762 1.00 1.00 H new ATOM 1233 N TYR A 84 77.065 12.452 4.663 1.00 1.00 N ATOM 1234 CA TYR A 84 77.220 12.666 3.196 1.00 1.00 C ATOM 1235 C TYR A 84 78.363 11.787 2.681 1.00 1.00 C ATOM 1236 O TYR A 84 78.567 11.648 1.491 1.00 1.00 O ATOM 1237 CB TYR A 84 77.535 14.145 2.923 1.00 1.00 C ATOM 1238 CG TYR A 84 78.116 14.774 4.166 1.00 1.00 C ATOM 1239 CD1 TYR A 84 79.273 14.239 4.747 1.00 1.00 C ATOM 1240 CD2 TYR A 84 77.498 15.893 4.739 1.00 1.00 C ATOM 1241 CE1 TYR A 84 79.811 14.823 5.900 1.00 1.00 C ATOM 1242 CE2 TYR A 84 78.037 16.476 5.892 1.00 1.00 C ATOM 1243 CZ TYR A 84 79.194 15.941 6.472 1.00 1.00 C ATOM 1244 OH TYR A 84 79.725 16.516 7.609 1.00 1.00 O ATOM 0 H TYR A 84 77.880 12.056 5.131 1.00 1.00 H new ATOM 0 HA TYR A 84 76.296 12.399 2.683 1.00 1.00 H new ATOM 0 HB2 TYR A 84 78.240 14.231 2.096 1.00 1.00 H new ATOM 0 HB3 TYR A 84 76.628 14.672 2.626 1.00 1.00 H new ATOM 0 HD1 TYR A 84 79.750 13.376 4.306 1.00 1.00 H new ATOM 0 HD2 TYR A 84 76.606 16.306 4.291 1.00 1.00 H new ATOM 0 HE1 TYR A 84 80.703 14.410 6.348 1.00 1.00 H new ATOM 0 HE2 TYR A 84 77.561 17.338 6.334 1.00 1.00 H new ATOM 0 HH TYR A 84 79.176 17.283 7.875 1.00 1.00 H new ATOM 1254 N GLY A 85 79.108 11.190 3.570 1.00 1.00 N ATOM 1255 CA GLY A 85 80.235 10.319 3.137 1.00 1.00 C ATOM 1256 C GLY A 85 81.334 11.175 2.505 1.00 1.00 C ATOM 1257 O GLY A 85 81.363 11.381 1.308 1.00 1.00 O ATOM 0 H GLY A 85 78.984 11.268 4.579 1.00 1.00 H new ATOM 0 HA2 GLY A 85 80.633 9.771 3.991 1.00 1.00 H new ATOM 0 HA3 GLY A 85 79.880 9.578 2.421 1.00 1.00 H new ATOM 1261 N ILE A 86 82.243 11.675 3.300 1.00 1.00 N ATOM 1262 CA ILE A 86 83.341 12.515 2.741 1.00 1.00 C ATOM 1263 C ILE A 86 84.482 11.608 2.273 1.00 1.00 C ATOM 1264 O ILE A 86 85.574 12.061 1.994 1.00 1.00 O ATOM 1265 CB ILE A 86 83.857 13.480 3.818 1.00 1.00 C ATOM 1266 CG1 ILE A 86 83.798 12.795 5.185 1.00 1.00 C ATOM 1267 CG2 ILE A 86 82.983 14.736 3.841 1.00 1.00 C ATOM 1268 CD1 ILE A 86 84.611 11.500 5.143 1.00 1.00 C ATOM 0 H ILE A 86 82.272 11.538 4.310 1.00 1.00 H new ATOM 0 HA ILE A 86 82.963 13.092 1.897 1.00 1.00 H new ATOM 0 HB ILE A 86 84.887 13.758 3.593 1.00 1.00 H new ATOM 0 HG12 ILE A 86 84.192 13.460 5.954 1.00 1.00 H new ATOM 0 HG13 ILE A 86 82.763 12.579 5.451 1.00 1.00 H new ATOM 0 HG21 ILE A 86 83.350 15.421 4.606 1.00 1.00 H new ATOM 0 HG22 ILE A 86 83.023 15.225 2.867 1.00 1.00 H new ATOM 0 HG23 ILE A 86 81.953 14.459 4.066 1.00 1.00 H new ATOM 0 HD11 ILE A 86 84.569 11.012 6.117 1.00 1.00 H new ATOM 0 HD12 ILE A 86 84.197 10.835 4.386 1.00 1.00 H new ATOM 0 HD13 ILE A 86 85.648 11.729 4.897 1.00 1.00 H new ATOM 1280 N CYS A 87 84.235 10.331 2.184 1.00 1.00 N ATOM 1281 CA CYS A 87 85.301 9.392 1.734 1.00 1.00 C ATOM 1282 C CYS A 87 85.625 9.657 0.262 1.00 1.00 C ATOM 1283 CB CYS A 87 84.813 7.952 1.899 1.00 1.00 C ATOM 1284 SG CYS A 87 85.941 6.829 1.036 1.00 1.00 S ATOM 0 H CYS A 87 83.339 9.896 2.404 1.00 1.00 H new ATOM 0 HA CYS A 87 86.197 9.543 2.335 1.00 1.00 H new ATOM 0 HB2 CYS A 87 84.763 7.693 2.957 1.00 1.00 H new ATOM 0 HB3 CYS A 87 83.805 7.850 1.498 1.00 1.00 H new TER 1289 CYS A 87 HETATM 1290 C1C RCY A 110 67.503 -7.707 9.593 1.00 1.00 C HETATM 1291 O1G RCY A 110 65.294 -5.124 10.845 1.00 1.00 O HETATM 1292 O1H RCY A 110 69.839 -4.784 12.083 1.00 1.00 O HETATM 1293 O1J RCY A 110 64.817 -6.720 8.653 1.00 1.00 O HETATM 1294 C1L RCY A 110 66.426 -4.808 12.991 1.00 1.00 C HETATM 1295 C1M RCY A 110 67.657 -4.142 8.610 1.00 1.00 C HETATM 1296 C1P RCY A 110 66.346 -5.034 11.476 1.00 1.00 C HETATM 1297 C1Q RCY A 110 68.643 -5.072 12.070 1.00 1.00 C HETATM 1298 N1R RCY A 110 67.735 -5.134 10.848 1.00 1.00 N HETATM 1299 C1S RCY A 110 67.796 -5.433 13.277 1.00 1.00 C HETATM 1300 C1U RCY A 110 68.126 -5.262 9.374 1.00 1.00 C HETATM 1301 C1V RCY A 110 68.106 -6.749 7.325 1.00 1.00 C HETATM 1302 N1V RCY A 110 66.057 -5.959 8.530 1.00 1.00 N HETATM 1303 C1W RCY A 110 66.214 -4.474 8.209 1.00 1.00 C HETATM 1304 C1X RCY A 110 67.482 -6.469 8.694 1.00 1.00 C HETATM 1305 C1Y RCY A 110 66.000 -4.224 6.713 1.00 1.00 C HETATM 1306 C1Z RCY A 110 65.209 -3.674 9.038 1.00 1.00 C HETATM 0 H1ZB RCY A 110 65.338 -3.911 10.094 1.00 1.00 H new HETATM 0 H1ZA RCY A 110 65.375 -2.608 8.882 1.00 1.00 H new HETATM 0 H1YB RCY A 110 66.197 -3.176 6.487 1.00 1.00 H new HETATM 0 H1YA RCY A 110 66.680 -4.853 6.138 1.00 1.00 H new HETATM 0 H1VB RCY A 110 69.143 -7.060 7.454 1.00 1.00 H new HETATM 0 H1VA RCY A 110 67.549 -7.542 6.827 1.00 1.00 H new HETATM 0 H1MA RCY A 110 67.697 -3.225 9.198 1.00 1.00 H new HETATM 0 H1LA RCY A 110 66.385 -3.752 13.258 1.00 1.00 H new HETATM 0 H1CB RCY A 110 68.534 -7.962 9.837 1.00 1.00 H new HETATM 0 H1CA RCY A 110 66.954 -7.499 10.511 1.00 1.00 H new HETATM 0 H1Z RCY A 110 64.196 -3.932 8.730 1.00 1.00 H new HETATM 0 H1Y RCY A 110 64.971 -4.465 6.447 1.00 1.00 H new HETATM 0 H1V RCY A 110 68.071 -5.845 6.717 1.00 1.00 H new HETATM 0 H1U RCY A 110 69.213 -5.342 9.390 1.00 1.00 H new HETATM 0 H1S RCY A 110 67.721 -6.514 13.399 1.00 1.00 H new HETATM 0 H1M RCY A 110 68.279 -3.983 7.729 1.00 1.00 H new HETATM 0 H1L RCY A 110 65.620 -5.305 13.530 1.00 1.00 H new HETATM 0 H1C RCY A 110 67.036 -8.543 9.072 1.00 1.00 H new HETATM 1309 C1C RCY A 121 66.680 7.884 1.537 1.00 1.00 C HETATM 1310 O1G RCY A 121 65.384 9.789 6.442 1.00 1.00 O HETATM 1311 O1H RCY A 121 66.137 10.849 1.902 1.00 1.00 O HETATM 1312 O1J RCY A 121 64.778 5.581 1.156 1.00 1.00 O HETATM 1313 C1L RCY A 121 66.055 11.841 5.290 1.00 1.00 C HETATM 1314 C1M RCY A 121 63.998 7.929 4.087 1.00 1.00 C HETATM 1315 C1P RCY A 121 65.679 10.358 5.391 1.00 1.00 C HETATM 1316 C1Q RCY A 121 66.240 10.786 3.126 1.00 1.00 C HETATM 1317 N1R RCY A 121 65.715 9.674 4.026 1.00 1.00 N HETATM 1318 C1S RCY A 121 66.915 11.807 4.022 1.00 1.00 C HETATM 1319 C1U RCY A 121 65.328 8.242 3.648 1.00 1.00 C HETATM 1320 C1V RCY A 121 64.459 9.102 1.430 1.00 1.00 C HETATM 1321 N1V RCY A 121 64.549 6.686 2.083 1.00 1.00 N HETATM 1322 C1W RCY A 121 63.524 6.760 3.213 1.00 1.00 C HETATM 1323 C1X RCY A 121 65.279 8.021 2.137 1.00 1.00 C HETATM 1324 C1Y RCY A 121 62.127 7.040 2.652 1.00 1.00 C HETATM 1325 C1Z RCY A 121 63.540 5.444 3.990 1.00 1.00 C HETATM 0 H1ZB RCY A 121 64.554 5.234 4.329 1.00 1.00 H new HETATM 0 H1YB RCY A 121 61.425 7.174 3.475 1.00 1.00 H new HETATM 0 H1YA RCY A 121 62.153 7.946 2.046 1.00 1.00 H new HETATM 0 H1VB RCY A 121 64.966 10.063 1.524 1.00 1.00 H new HETATM 0 H1VA RCY A 121 64.355 8.848 0.375 1.00 1.00 H new HETATM 0 H1MA RCY A 121 63.990 7.655 5.142 1.00 1.00 H new HETATM 0 H1LA RCY A 121 65.183 12.487 5.186 1.00 1.00 H new HETATM 0 H1CB RCY A 121 67.250 8.793 1.731 1.00 1.00 H new HETATM 0 H1Z RCY A 121 63.199 4.636 3.343 1.00 1.00 H new HETATM 0 H1Y RCY A 121 61.808 6.200 2.035 1.00 1.00 H new HETATM 0 H1V RCY A 121 63.471 9.167 1.887 1.00 1.00 H new HETATM 0 H1U RCY A 121 66.091 7.623 4.119 1.00 1.00 H new HETATM 0 H1S RCY A 121 67.942 11.519 4.247 1.00 1.00 H new HETATM 0 H1M RCY A 121 63.339 8.790 3.977 1.00 1.00 H new HETATM 0 H1L RCY A 121 66.609 12.192 6.161 1.00 1.00 H new HETATM 0 H1C RCY A 121 66.601 7.728 0.461 1.00 1.00 H new HETATM 1328 C1C RCY A 130 74.990 3.995 -9.020 1.00 1.00 C HETATM 1329 O1G RCY A 130 79.969 5.891 -10.347 1.00 1.00 O HETATM 1330 O1H RCY A 130 75.391 6.676 -9.494 1.00 1.00 O HETATM 1331 O1J RCY A 130 75.765 1.134 -8.493 1.00 1.00 O HETATM 1332 C1L RCY A 130 78.643 7.928 -10.066 1.00 1.00 C HETATM 1333 C1M RCY A 130 78.567 3.419 -9.772 1.00 1.00 C HETATM 1334 C1P RCY A 130 78.871 6.415 -10.168 1.00 1.00 C HETATM 1335 C1Q RCY A 130 76.534 6.759 -9.942 1.00 1.00 C HETATM 1336 N1R RCY A 130 77.563 5.638 -10.022 1.00 1.00 N HETATM 1337 C1S RCY A 130 77.181 8.005 -10.519 1.00 1.00 C HETATM 1338 C1U RCY A 130 77.334 4.127 -9.968 1.00 1.00 C HETATM 1339 C1V RCY A 130 76.970 4.308 -7.468 1.00 1.00 C HETATM 1340 N1V RCY A 130 76.719 2.198 -8.793 1.00 1.00 N HETATM 1341 C1W RCY A 130 78.187 2.051 -9.190 1.00 1.00 C HETATM 1342 C1X RCY A 130 76.472 3.700 -8.781 1.00 1.00 C HETATM 1343 C1Y RCY A 130 79.044 1.732 -7.962 1.00 1.00 C HETATM 1344 C1Z RCY A 130 78.314 0.946 -10.239 1.00 1.00 C HETATM 0 H1ZB RCY A 130 77.651 1.162 -11.077 1.00 1.00 H new HETATM 0 H1ZA RCY A 130 79.344 0.898 -10.594 1.00 1.00 H new HETATM 0 H1YB RCY A 130 80.096 1.715 -8.247 1.00 1.00 H new HETATM 0 H1YA RCY A 130 78.887 2.496 -7.200 1.00 1.00 H new HETATM 0 H1VB RCY A 130 76.837 5.390 -7.494 1.00 1.00 H new HETATM 0 H1VA RCY A 130 76.401 3.893 -6.636 1.00 1.00 H new HETATM 0 H1MA RCY A 130 79.105 3.306 -10.713 1.00 1.00 H new HETATM 0 H1LA RCY A 130 78.786 8.304 -9.053 1.00 1.00 H new HETATM 0 H1CB RCY A 130 74.852 5.065 -9.175 1.00 1.00 H new HETATM 0 H1CA RCY A 130 74.649 3.454 -9.902 1.00 1.00 H new HETATM 0 H1Z RCY A 130 78.038 -0.010 -9.795 1.00 1.00 H new HETATM 0 H1Y RCY A 130 78.760 0.758 -7.563 1.00 1.00 H new HETATM 0 H1V RCY A 130 78.027 4.075 -7.337 1.00 1.00 H new HETATM 0 H1U RCY A 130 76.853 3.894 -10.918 1.00 1.00 H new HETATM 0 H1S RCY A 130 77.104 8.025 -11.606 1.00 1.00 H new HETATM 0 H1M RCY A 130 79.224 3.962 -9.093 1.00 1.00 H new HETATM 0 H1C RCY A 130 74.411 3.677 -8.153 1.00 1.00 H new HETATM 1347 C1C RCY A 138 83.271 -0.884 -2.193 1.00 1.00 C HETATM 1348 O1G RCY A 138 85.121 -1.290 -3.742 1.00 1.00 O HETATM 1349 O1H RCY A 138 82.308 0.503 -7.084 1.00 1.00 O HETATM 1350 O1J RCY A 138 85.900 0.560 -1.917 1.00 1.00 O HETATM 1351 C1L RCY A 138 84.830 -1.773 -6.123 1.00 1.00 C HETATM 1352 C1M RCY A 138 83.285 2.255 -4.152 1.00 1.00 C HETATM 1353 C1P RCY A 138 84.524 -1.069 -4.794 1.00 1.00 C HETATM 1354 C1Q RCY A 138 82.953 -0.278 -6.386 1.00 1.00 C HETATM 1355 N1R RCY A 138 83.386 -0.061 -4.942 1.00 1.00 N HETATM 1356 C1S RCY A 138 83.466 -1.642 -6.809 1.00 1.00 C HETATM 1357 C1U RCY A 138 82.820 0.919 -3.912 1.00 1.00 C HETATM 1358 C1V RCY A 138 82.489 1.410 -1.450 1.00 1.00 C HETATM 1359 N1V RCY A 138 84.717 1.128 -2.557 1.00 1.00 N HETATM 1360 C1W RCY A 138 84.641 2.369 -3.446 1.00 1.00 C HETATM 1361 C1X RCY A 138 83.285 0.617 -2.488 1.00 1.00 C HETATM 1362 C1Y RCY A 138 84.701 3.641 -2.595 1.00 1.00 C HETATM 1363 C1Z RCY A 138 85.794 2.337 -4.449 1.00 1.00 C HETATM 0 H1ZB RCY A 138 85.769 1.398 -5.002 1.00 1.00 H new HETATM 0 H1ZA RCY A 138 85.694 3.170 -5.144 1.00 1.00 H new HETATM 0 H1YB RCY A 138 84.562 4.513 -3.234 1.00 1.00 H new HETATM 0 H1YA RCY A 138 83.913 3.613 -1.843 1.00 1.00 H new HETATM 0 H1MA RCY A 138 83.385 2.446 -5.220 1.00 1.00 H new HETATM 0 H1LA RCY A 138 85.627 -1.282 -6.682 1.00 1.00 H new HETATM 0 H1CB RCY A 138 82.258 -1.269 -2.311 1.00 1.00 H new HETATM 0 H1CA RCY A 138 83.937 -1.397 -2.887 1.00 1.00 H new HETATM 0 H1Z RCY A 138 86.742 2.420 -3.917 1.00 1.00 H new HETATM 0 H1Y RCY A 138 85.671 3.704 -2.102 1.00 1.00 H new HETATM 0 H1U RCY A 138 81.739 0.818 -4.011 1.00 1.00 H new HETATM 0 H1S RCY A 138 82.787 -2.435 -6.496 1.00 1.00 H new HETATM 0 H1M RCY A 138 82.580 2.989 -3.761 1.00 1.00 H new HETATM 0 H1L RCY A 138 85.130 -2.812 -5.986 1.00 1.00 H new HETATM 0 H1C RCY A 138 83.608 -1.057 -1.171 1.00 1.00 H new HETATM 1366 C1C RCY A 150 80.517 -7.955 -1.094 1.00 1.00 C HETATM 1367 O1G RCY A 150 76.767 -6.761 -2.730 1.00 1.00 O HETATM 1368 O1H RCY A 150 78.514 -11.114 -2.179 1.00 1.00 O HETATM 1369 O1J RCY A 150 79.467 -5.146 -1.362 1.00 1.00 O HETATM 1370 C1L RCY A 150 77.022 -8.667 -4.243 1.00 1.00 C HETATM 1371 C1M RCY A 150 77.058 -7.692 0.193 1.00 1.00 C HETATM 1372 C1P RCY A 150 77.166 -7.909 -2.917 1.00 1.00 C HETATM 1373 C1Q RCY A 150 78.236 -10.009 -2.645 1.00 1.00 C HETATM 1374 N1R RCY A 150 77.868 -8.758 -1.858 1.00 1.00 N HETATM 1375 C1S RCY A 150 78.198 -9.642 -4.117 1.00 1.00 C HETATM 1376 C1U RCY A 150 78.136 -8.442 -0.385 1.00 1.00 C HETATM 1377 C1V RCY A 150 79.780 -7.484 1.286 1.00 1.00 C HETATM 1378 N1V RCY A 150 78.786 -6.207 -0.626 1.00 1.00 N HETATM 1379 C1W RCY A 150 77.342 -6.219 -0.127 1.00 1.00 C HETATM 1380 C1X RCY A 150 79.357 -7.547 -0.184 1.00 1.00 C HETATM 1381 C1Y RCY A 150 77.203 -5.359 1.132 1.00 1.00 C HETATM 1382 C1Z RCY A 150 76.425 -5.704 -1.236 1.00 1.00 C HETATM 0 H1ZB RCY A 150 76.583 -6.291 -2.141 1.00 1.00 H new HETATM 0 H1ZA RCY A 150 75.386 -5.796 -0.921 1.00 1.00 H new HETATM 0 H1VB RCY A 150 80.135 -8.464 1.605 1.00 1.00 H new HETATM 0 H1VA RCY A 150 80.579 -6.752 1.404 1.00 1.00 H new HETATM 0 H1MA RCY A 150 76.100 -8.003 -0.224 1.00 1.00 H new HETATM 0 H1LA RCY A 150 76.063 -9.178 -4.329 1.00 1.00 H new HETATM 0 H1CB RCY A 150 80.807 -8.983 -0.875 1.00 1.00 H new HETATM 0 H1CA RCY A 150 80.206 -7.880 -2.136 1.00 1.00 H new HETATM 0 H1Z RCY A 150 76.652 -4.657 -1.439 1.00 1.00 H new HETATM 0 H1V RCY A 150 78.927 -7.191 1.898 1.00 1.00 H new HETATM 0 H1U RCY A 150 78.273 -9.419 0.079 1.00 1.00 H new HETATM 0 H1S RCY A 150 79.132 -9.179 -4.434 1.00 1.00 H new HETATM 0 H1M RCY A 150 77.005 -7.853 1.270 1.00 1.00 H new HETATM 0 H1L RCY A 150 77.113 -8.013 -5.110 1.00 1.00 H new HETATM 0 H1C RCY A 150 81.366 -7.294 -0.920 1.00 1.00 H new HETATM 1385 C1C RCY A 160 73.382 -2.886 -3.304 1.00 1.00 C HETATM 1386 O1G RCY A 160 72.165 -0.947 -7.324 1.00 1.00 O HETATM 1387 O1H RCY A 160 74.941 -4.662 -6.435 1.00 1.00 O HETATM 1388 O1J RCY A 160 74.273 -0.446 -1.779 1.00 1.00 O HETATM 1389 C1L RCY A 160 72.420 -3.138 -8.382 1.00 1.00 C HETATM 1390 C1M RCY A 160 74.775 -0.321 -5.579 1.00 1.00 C HETATM 1391 C1P RCY A 160 72.748 -2.029 -7.376 1.00 1.00 C HETATM 1392 C1Q RCY A 160 74.301 -3.785 -7.014 1.00 1.00 C HETATM 1393 N1R RCY A 160 73.890 -2.434 -6.444 1.00 1.00 N HETATM 1394 C1S RCY A 160 73.775 -3.853 -8.436 1.00 1.00 C HETATM 1395 C1U RCY A 160 74.476 -1.684 -5.246 1.00 1.00 C HETATM 1396 C1V RCY A 160 72.127 -1.059 -4.535 1.00 1.00 C HETATM 1397 N1V RCY A 160 74.198 -0.519 -3.235 1.00 1.00 N HETATM 1398 C1W RCY A 160 74.809 0.445 -4.251 1.00 1.00 C HETATM 1399 C1X RCY A 160 73.495 -1.572 -4.080 1.00 1.00 C HETATM 1400 C1Y RCY A 160 73.971 1.724 -4.346 1.00 1.00 C HETATM 1401 C1Z RCY A 160 76.243 0.771 -3.833 1.00 1.00 C HETATM 0 H1ZB RCY A 160 76.806 -0.154 -3.713 1.00 1.00 H new HETATM 0 H1ZA RCY A 160 76.714 1.386 -4.599 1.00 1.00 H new HETATM 0 H1YB RCY A 160 74.371 2.363 -5.133 1.00 1.00 H new HETATM 0 H1YA RCY A 160 72.938 1.466 -4.578 1.00 1.00 H new HETATM 0 H1VB RCY A 160 71.658 -1.799 -5.184 1.00 1.00 H new HETATM 0 H1VA RCY A 160 71.495 -0.887 -3.664 1.00 1.00 H new HETATM 0 H1MA RCY A 160 75.732 -0.247 -6.096 1.00 1.00 H new HETATM 0 H1LA RCY A 160 71.618 -3.790 -8.037 1.00 1.00 H new HETATM 0 H1CB RCY A 160 73.032 -3.674 -3.971 1.00 1.00 H new HETATM 0 H1CA RCY A 160 74.359 -3.157 -2.904 1.00 1.00 H new HETATM 0 H1Z RCY A 160 76.232 1.314 -2.888 1.00 1.00 H new HETATM 0 H1Y RCY A 160 74.007 2.254 -3.394 1.00 1.00 H new HETATM 0 H1V RCY A 160 72.252 -0.125 -5.082 1.00 1.00 H new HETATM 0 H1U RCY A 160 75.360 -2.261 -4.973 1.00 1.00 H new HETATM 0 H1S RCY A 160 74.454 -3.363 -9.134 1.00 1.00 H new HETATM 0 H1M RCY A 160 74.019 0.091 -6.247 1.00 1.00 H new HETATM 0 H1L RCY A 160 72.117 -2.745 -9.352 1.00 1.00 H new HETATM 0 H1C RCY A 160 72.675 -2.764 -2.483 1.00 1.00 H new HETATM 1404 C1C RCY A 168 73.181 0.926 1.479 1.00 1.00 C HETATM 1405 O1G RCY A 168 70.564 1.288 -3.278 1.00 1.00 O HETATM 1406 O1H RCY A 168 70.234 0.466 1.360 1.00 1.00 O HETATM 1407 O1J RCY A 168 74.853 3.430 1.517 1.00 1.00 O HETATM 1408 C1L RCY A 168 68.931 0.095 -1.901 1.00 1.00 C HETATM 1409 C1M RCY A 168 72.174 3.248 -1.220 1.00 1.00 C HETATM 1410 C1P RCY A 168 70.217 0.888 -2.168 1.00 1.00 C HETATM 1411 C1Q RCY A 168 70.203 0.331 0.138 1.00 1.00 C HETATM 1412 N1R RCY A 168 71.013 1.118 -0.884 1.00 1.00 N HETATM 1413 C1S RCY A 168 69.346 -0.657 -0.632 1.00 1.00 C HETATM 1414 C1U RCY A 168 72.293 1.928 -0.670 1.00 1.00 C HETATM 1415 C1V RCY A 168 71.381 2.709 1.560 1.00 1.00 C HETATM 1416 N1V RCY A 168 73.665 3.252 0.688 1.00 1.00 N HETATM 1417 C1W RCY A 168 73.214 4.110 -0.493 1.00 1.00 C HETATM 1418 C1X RCY A 168 72.600 2.171 0.807 1.00 1.00 C HETATM 1419 C1Y RCY A 168 72.581 5.413 0.003 1.00 1.00 C HETATM 1420 C1Z RCY A 168 74.418 4.401 -1.389 1.00 1.00 C HETATM 0 H1ZB RCY A 168 74.889 3.463 -1.682 1.00 1.00 H new HETATM 0 H1ZA RCY A 168 74.088 4.934 -2.280 1.00 1.00 H new HETATM 0 H1YB RCY A 168 72.189 5.973 -0.846 1.00 1.00 H new HETATM 0 H1YA RCY A 168 71.769 5.183 0.692 1.00 1.00 H new HETATM 0 H1VB RCY A 168 70.605 1.944 1.590 1.00 1.00 H new HETATM 0 H1VA RCY A 168 71.669 2.974 2.577 1.00 1.00 H new HETATM 0 H1MA RCY A 168 72.358 3.240 -2.294 1.00 1.00 H new HETATM 0 H1LA RCY A 168 68.068 0.741 -1.740 1.00 1.00 H new HETATM 0 H1CB RCY A 168 72.465 0.107 1.409 1.00 1.00 H new HETATM 0 H1Z RCY A 168 75.137 5.014 -0.845 1.00 1.00 H new HETATM 0 H1Y RCY A 168 73.334 6.011 0.516 1.00 1.00 H new HETATM 0 H1V RCY A 168 70.999 3.593 1.050 1.00 1.00 H new HETATM 0 H1U RCY A 168 73.071 1.334 -1.150 1.00 1.00 H new HETATM 0 H1S RCY A 168 69.904 -1.562 -0.872 1.00 1.00 H new HETATM 0 H1M RCY A 168 71.169 3.643 -1.071 1.00 1.00 H new HETATM 0 H1L RCY A 168 68.677 -0.577 -2.721 1.00 1.00 H new HETATM 1423 C1C RCY A 173 77.472 -0.607 3.547 1.00 1.00 C HETATM 1424 O1G RCY A 173 73.901 2.565 5.561 1.00 1.00 O HETATM 1425 O1H RCY A 173 76.703 -1.236 5.488 1.00 1.00 O HETATM 1426 O1J RCY A 173 75.551 -2.869 3.036 1.00 1.00 O HETATM 1427 C1L RCY A 173 74.774 1.094 7.310 1.00 1.00 C HETATM 1428 C1M RCY A 173 74.102 0.665 2.701 1.00 1.00 C HETATM 1429 C1P RCY A 173 74.556 1.570 5.869 1.00 1.00 C HETATM 1430 C1Q RCY A 173 75.798 -0.449 5.760 1.00 1.00 C HETATM 1431 N1R RCY A 173 75.253 0.655 4.863 1.00 1.00 N HETATM 1432 C1S RCY A 173 75.015 -0.399 7.060 1.00 1.00 C HETATM 1433 C1U RCY A 173 75.377 0.800 3.345 1.00 1.00 C HETATM 1434 C1V RCY A 173 76.582 0.021 1.258 1.00 1.00 C HETATM 1435 N1V RCY A 173 75.251 -1.465 2.772 1.00 1.00 N HETATM 1436 C1W RCY A 173 73.885 -0.839 2.494 1.00 1.00 C HETATM 1437 C1X RCY A 173 76.228 -0.300 2.712 1.00 1.00 C HETATM 1438 C1Y RCY A 173 73.447 -1.127 1.055 1.00 1.00 C HETATM 1439 C1Z RCY A 173 72.867 -1.397 3.488 1.00 1.00 C HETATM 0 H1ZB RCY A 173 73.225 -1.236 4.505 1.00 1.00 H new HETATM 0 H1ZA RCY A 173 71.912 -0.888 3.355 1.00 1.00 H new HETATM 0 H1YB RCY A 173 72.514 -0.604 0.847 1.00 1.00 H new HETATM 0 H1YA RCY A 173 74.217 -0.783 0.365 1.00 1.00 H new HETATM 0 H1VB RCY A 173 77.237 0.891 1.227 1.00 1.00 H new HETATM 0 H1VA RCY A 173 77.091 -0.833 0.811 1.00 1.00 H new HETATM 0 H1MA RCY A 173 73.309 1.092 3.315 1.00 1.00 H new HETATM 0 H1CB RCY A 173 78.083 0.291 3.633 1.00 1.00 H new HETATM 0 H1CA RCY A 173 77.171 -0.937 4.541 1.00 1.00 H new HETATM 0 H1Y RCY A 173 73.298 -2.199 0.928 1.00 1.00 H new HETATM 0 H1V RCY A 173 75.670 0.233 0.700 1.00 1.00 H new HETATM 0 H1U RCY A 173 75.824 1.784 3.205 1.00 1.00 H new HETATM 0 H1L RCY A 173 73.907 1.276 7.945 1.00 1.00 H new HETATM 1442 C1C RCY A 176 79.537 -4.143 2.634 1.00 1.00 C HETATM 1443 O1G RCY A 176 77.514 -3.508 7.715 1.00 1.00 O HETATM 1444 O1H RCY A 176 80.422 -2.041 4.296 1.00 1.00 O HETATM 1445 O1J RCY A 176 77.094 -5.119 1.170 1.00 1.00 O HETATM 1446 C1L RCY A 176 79.391 -1.939 7.672 1.00 1.00 C HETATM 1447 C1M RCY A 176 76.538 -4.007 4.797 1.00 1.00 C HETATM 1448 C1P RCY A 176 78.420 -2.969 7.081 1.00 1.00 C HETATM 1449 C1Q RCY A 176 79.979 -2.419 5.379 1.00 1.00 C HETATM 1450 N1R RCY A 176 78.719 -3.244 5.608 1.00 1.00 N HETATM 1451 C1S RCY A 176 80.591 -2.146 6.741 1.00 1.00 C HETATM 1452 C1U RCY A 176 77.956 -4.119 4.612 1.00 1.00 C HETATM 1453 C1V RCY A 176 77.957 -2.190 2.972 1.00 1.00 C HETATM 1454 N1V RCY A 176 77.060 -4.475 2.479 1.00 1.00 N HETATM 1455 C1W RCY A 176 75.898 -4.437 3.471 1.00 1.00 C HETATM 1456 C1X RCY A 176 78.173 -3.693 3.161 1.00 1.00 C HETATM 1457 C1Y RCY A 176 74.847 -3.417 3.025 1.00 1.00 C HETATM 1458 C1Z RCY A 176 75.284 -5.833 3.577 1.00 1.00 C HETATM 0 H1ZB RCY A 176 76.060 -6.553 3.837 1.00 1.00 H new HETATM 0 H1ZA RCY A 176 74.515 -5.834 4.349 1.00 1.00 H new HETATM 0 H1VA RCY A 176 78.011 -1.945 1.911 1.00 1.00 H new HETATM 0 H1MA RCY A 176 76.201 -4.642 5.616 1.00 1.00 H new HETATM 0 H1LA RCY A 176 78.999 -0.923 7.628 1.00 1.00 H new HETATM 0 H1CB RCY A 176 80.326 -3.700 3.242 1.00 1.00 H new HETATM 0 H1CA RCY A 176 79.606 -5.230 2.685 1.00 1.00 H new HETATM 0 H1U RCY A 176 78.333 -5.125 4.796 1.00 1.00 H new HETATM 0 H1S RCY A 176 81.210 -2.980 7.072 1.00 1.00 H new HETATM 0 H1M RCY A 176 76.258 -2.985 5.051 1.00 1.00 H new HETATM 0 H1L RCY A 176 79.632 -2.143 8.715 1.00 1.00 H new HETATM 0 H1C RCY A 176 79.652 -3.820 1.599 1.00 1.00 H new HETATM 1461 C1C RCY A 187 83.375 0.945 2.210 1.00 1.00 C HETATM 1462 O1G RCY A 187 82.526 3.014 1.460 1.00 1.00 O HETATM 1463 O1H RCY A 187 86.906 4.144 0.105 1.00 1.00 O HETATM 1464 O1J RCY A 187 81.526 0.976 -0.166 1.00 1.00 O HETATM 1465 C1L RCY A 187 83.736 5.134 1.306 1.00 1.00 C HETATM 1466 C1M RCY A 187 85.270 1.240 -0.955 1.00 1.00 C HETATM 1467 C1P RCY A 187 83.571 3.612 1.211 1.00 1.00 C HETATM 1468 C1Q RCY A 187 85.838 4.104 0.715 1.00 1.00 C HETATM 1469 N1R RCY A 187 84.865 2.932 0.768 1.00 1.00 N HETATM 1470 C1S RCY A 187 85.246 5.219 1.557 1.00 1.00 C HETATM 1471 C1U RCY A 187 85.128 1.458 0.457 1.00 1.00 C HETATM 1472 C1V RCY A 187 84.355 -0.927 0.810 1.00 1.00 C HETATM 1473 N1V RCY A 187 82.979 0.870 -0.262 1.00 1.00 N HETATM 1474 C1W RCY A 187 83.849 1.055 -1.503 1.00 1.00 C HETATM 1475 C1X RCY A 187 83.964 0.551 0.854 1.00 1.00 C HETATM 1476 C1Y RCY A 187 83.775 -0.185 -2.399 1.00 1.00 C HETATM 1477 C1Z RCY A 187 83.381 2.297 -2.262 1.00 1.00 C HETATM 0 H1ZB RCY A 187 83.385 3.156 -1.591 1.00 1.00 H new HETATM 0 H1YA RCY A 187 84.049 -1.068 -1.821 1.00 1.00 H new HETATM 0 H1VB RCY A 187 85.102 -1.129 1.578 1.00 1.00 H new HETATM 0 H1VA RCY A 187 83.473 -1.542 0.991 1.00 1.00 H new HETATM 0 H1MA RCY A 187 85.764 2.086 -1.432 1.00 1.00 H new HETATM 0 H1LA RCY A 187 83.436 5.644 0.391 1.00 1.00 H new HETATM 0 H1CB RCY A 187 84.145 0.869 2.977 1.00 1.00 H new HETATM 0 H1CA RCY A 187 83.009 1.971 2.164 1.00 1.00 H new HETATM 0 H1V RCY A 187 84.769 -1.165 -0.170 1.00 1.00 H new HETATM 0 H1U RCY A 187 86.031 1.222 1.020 1.00 1.00 H new HETATM 0 H1S RCY A 187 85.480 5.085 2.613 1.00 1.00 H new HETATM 0 H1L RCY A 187 83.153 5.567 2.119 1.00 1.00 H new HETATM 0 H1C RCY A 187 82.550 0.277 2.456 1.00 1.00 H new