USER MOD reduce.3.24.130724 H: found=0, std=0, add=768, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 659 hydrogens (20 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 31 LYS HZ1 : A 31 LYS NZ : A 130 RCY C1Y :(NH2R) USER MOD NoAdj-H: A 31 LYS HZ3 : A 31 LYS NZ : A 130 RCY C1Y :(NH2R) USER MOD NoAdj-H: A 70 TRP H : A 70 TRP N : A 176 RCY C1W :(H bumps) USER MOD NoAdj-H: A 110 RCYH1SA : A 110 RCY C1S : A 10 CYS SG :(H bumps) USER MOD NoAdj-H: A 121 RCYH1SA : A 121 RCY C1S : A 21 CYS SG :(H bumps) USER MOD NoAdj-H: A 130 RCYH1YB : A 130 RCY C1Y : A 31 LYS NZ :(H bumps) USER MOD NoAdj-H: A 130 RCYH1SA : A 130 RCY C1S : A 30 CYS SG :(H bumps) USER MOD NoAdj-H: A 130 RCY H1Y : A 130 RCY C1Y : A 31 LYS NZ :(H bumps) USER MOD NoAdj-H: A 138 RCYH1VB : A 138 RCY C1V : A 150 RCY C1X :(H bumps) USER MOD NoAdj-H: A 138 RCYH1VA : A 138 RCY C1V : A 150 RCY O1J :(H bumps) USER MOD NoAdj-H: A 138 RCYH1SA : A 138 RCY C1S : A 38 CYS SG :(H bumps) USER MOD NoAdj-H: A 138 RCYH1CB : A 138 RCY C1C : A 150 RCY C1X :(H bumps) USER MOD NoAdj-H: A 138 RCYH1CA : A 138 RCY C1C : A 150 RCY C1V :(H bumps) USER MOD NoAdj-H: A 138 RCY H1V : A 138 RCY C1V : A 150 RCY O1J :(H bumps) USER MOD NoAdj-H: A 138 RCY H1C : A 138 RCY C1C : A 150 RCY C1X :(H bumps) USER MOD NoAdj-H: A 150 RCYH1VB : A 150 RCY C1V : A 138 RCY C1C :(H bumps) USER MOD NoAdj-H: A 150 RCYH1VA : A 150 RCY C1V : A 138 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 RCYH1CB : A 150 RCY C1C : A 138 RCY N1R :(H bumps) USER MOD NoAdj-H: A 150 RCY H1V : A 150 RCY C1V : A 138 RCY C1C :(H bumps) USER MOD NoAdj-H: A 150 RCY H1C : A 150 RCY C1C : A 138 RCY N1R :(H bumps) USER MOD NoAdj-H: A 160 RCYH1YB : A 160 RCY C1Y : A 173 RCY C1C :(H bumps) USER MOD NoAdj-H: A 160 RCYH1YA : A 160 RCY C1Y : A 173 RCY C1C :(H bumps) USER MOD NoAdj-H: A 160 RCYH1VB : A 160 RCY C1V : A 168 RCY N1V :(H bumps) USER MOD NoAdj-H: A 160 RCYH1VA : A 160 RCY C1V : A 168 RCY C1X :(H bumps) USER MOD NoAdj-H: A 160 RCYH1SA : A 160 RCY C1S : A 60 CYS SG :(H bumps) USER MOD NoAdj-H: A 160 RCY H1Y : A 160 RCY C1Y : A 173 RCY C1C :(H bumps) USER MOD NoAdj-H: A 160 RCY H1V : A 160 RCY C1V : A 168 RCY C1X :(H bumps) USER MOD NoAdj-H: A 168 RCYH1YB : A 168 RCY C1Y : A 173 RCY C1V :(H bumps) USER MOD NoAdj-H: A 168 RCYH1YA : A 168 RCY C1Y : A 173 RCY C1V :(H bumps) USER MOD NoAdj-H: A 168 RCYH1VB : A 168 RCY C1V : A 160 RCY C1W :(H bumps) USER MOD NoAdj-H: A 168 RCYH1VA : A 168 RCY C1V : A 160 RCY C1W :(H bumps) USER MOD NoAdj-H: A 168 RCYH1SA : A 168 RCY C1S : A 68 CYS SG :(H bumps) USER MOD NoAdj-H: A 168 RCY H1V : A 168 RCY C1V : A 160 RCY C1Y :(H bumps) USER MOD NoAdj-H: A 168 RCY H1S : A 168 RCY C1S : A 176 RCY C1Z :(H bumps) USER MOD NoAdj-H: A 168 RCY H1M : A 168 RCY C1M : A 173 RCY N1V :(H bumps) USER MOD NoAdj-H: A 168 RCY H1C : A 168 RCY C1C : A 160 RCY N1V :(H bumps) USER MOD NoAdj-H: A 173 RCYH1ZB : A 173 RCY C1Z : A 176 RCY C1M :(H bumps) USER MOD NoAdj-H: A 173 RCYH1ZA : A 173 RCY C1Z : A 176 RCY C1M :(H bumps) USER MOD NoAdj-H: A 173 RCYH1YA : A 173 RCY C1Y : A 187 RCY O1G :(H bumps) USER MOD NoAdj-H: A 173 RCYH1VB : A 173 RCY C1V : A 168 RCY C1Y :(H bumps) USER MOD NoAdj-H: A 173 RCYH1VA : A 173 RCY C1V : A 168 RCY C1Y :(H bumps) USER MOD NoAdj-H: A 173 RCYH1SA : A 173 RCY C1S : A 73 CYS SG :(H bumps) USER MOD NoAdj-H: A 173 RCYH1CB : A 173 RCY C1C : A 160 RCY C1Y :(H bumps) USER MOD NoAdj-H: A 173 RCYH1CA : A 173 RCY C1C : A 160 RCY C1Y :(H bumps) USER MOD NoAdj-H: A 173 RCY H1Z : A 173 RCY C1Z : A 168 RCY C1Q :(H bumps) USER MOD NoAdj-H: A 173 RCY H1V : A 173 RCY C1V : A 168 RCY C1Y :(H bumps) USER MOD NoAdj-H: A 173 RCY H1U : A 173 RCY C1U : A 69 PRO CB :(H bumps) USER MOD NoAdj-H: A 173 RCY H1C : A 173 RCY C1C : A 160 RCY C1Y :(H bumps) USER MOD NoAdj-H: A 176 RCYH1ZB : A 176 RCY C1Z : A 168 RCY C1S :(H bumps) USER MOD NoAdj-H: A 176 RCYH1YB : A 176 RCY C1Y : A 69 PRO CA :(H bumps) USER MOD NoAdj-H: A 176 RCYH1YA : A 176 RCY C1Y : A 70 TRP N :(H bumps) USER MOD NoAdj-H: A 176 RCYH1VA : A 176 RCY C1V : A 70 TRP C :(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 RCYH1MA : A 176 RCY C1M : A 173 RCY C1Z :(H bumps) USER MOD NoAdj-H: A 176 RCYH1LA : A 176 RCY C1L : A 187 RCY C1C :(H bumps) USER MOD NoAdj-H: A 176 RCYH1CB : A 176 RCY C1C : A 70 TRP CB :(H bumps) USER MOD NoAdj-H: A 176 RCY H1Z : A 176 RCY C1Z : A 69 PRO N :(H bumps) USER MOD NoAdj-H: A 176 RCY H1Y : A 176 RCY C1Y : A 69 PRO CA :(H bumps) USER MOD NoAdj-H: A 187 RCYH1VA : A 187 RCY C1V : A 176 RCY O1G :(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 RCYH1CB : A 187 RCY C1C : A 176 RCY C1P :(H bumps) USER MOD NoAdj-H: A 187 RCYH1CA : A 187 RCY C1C : A 176 RCY C1L :(H bumps) USER MOD NoAdj-H: A 187 RCY H1C : A 187 RCY C1C : A 176 RCY C1P :(H bumps) USER MOD Set 1.1: A 31 LYS NZ :NH3+ 180:sc= -0.181 (180deg=0) USER MOD Set 1.2: A 32 GLN : amide:sc= -0.187 X(o=-0.37,f=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= -6.2! C(o=-6.2!,f=-7.4!) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.236 USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ -159:sc= 0 (180deg=-0.00389) USER MOD Single : A 29 LYS NZ :NH3+ -159:sc= 0 (180deg=-0.00603) USER MOD Single : A 34 GLN : amide:sc= -0.517 K(o=-0.52,f=-3.3!) USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.0446 USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ -138:sc= -1.1 (180deg=-3.6!) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= -0.097 K(o=-0.097,f=-2.2!) USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= -1.01! C(o=-1!,f=-1!) USER MOD Single : A 75 HIS : no HD1:sc= -2.34! C(o=-2.3!,f=-4.5!) USER MOD Single : A 79 HIS : no HD1:sc= -3.24! C(o=-3.2!,f=-3.1!) USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 84.382 -16.044 20.516 1.00 1.00 N ATOM 2 CA MET A 1 82.998 -15.788 21.004 1.00 1.00 C ATOM 3 C MET A 1 82.076 -15.531 19.808 1.00 1.00 C ATOM 4 O MET A 1 81.695 -16.444 19.103 1.00 1.00 O ATOM 5 CB MET A 1 83.002 -14.565 21.927 1.00 1.00 C ATOM 6 CG MET A 1 81.629 -14.414 22.584 1.00 1.00 C ATOM 7 SD MET A 1 81.443 -12.728 23.215 1.00 1.00 S ATOM 8 CE MET A 1 82.250 -12.993 24.813 1.00 1.00 C ATOM 0 H1 MET A 1 85.009 -16.219 21.327 1.00 1.00 H new ATOM 0 H2 MET A 1 84.382 -16.877 19.893 1.00 1.00 H new ATOM 0 H3 MET A 1 84.722 -15.216 19.987 1.00 1.00 H new ATOM 0 HA MET A 1 82.638 -16.656 21.557 1.00 1.00 H new ATOM 0 HB2 MET A 1 83.772 -14.676 22.691 1.00 1.00 H new ATOM 0 HB3 MET A 1 83.245 -13.668 21.358 1.00 1.00 H new ATOM 0 HG2 MET A 1 80.843 -14.632 21.861 1.00 1.00 H new ATOM 0 HG3 MET A 1 81.522 -15.132 23.397 1.00 1.00 H new ATOM 0 HE1 MET A 1 82.248 -12.062 25.380 1.00 1.00 H new ATOM 0 HE2 MET A 1 81.711 -13.759 25.370 1.00 1.00 H new ATOM 0 HE3 MET A 1 83.278 -13.317 24.652 1.00 1.00 H new ATOM 17 N ASN A 2 81.715 -14.297 19.576 1.00 1.00 N ATOM 18 CA ASN A 2 80.818 -13.975 18.428 1.00 1.00 C ATOM 19 C ASN A 2 79.495 -14.734 18.578 1.00 1.00 C ATOM 20 O ASN A 2 79.452 -15.827 19.105 1.00 1.00 O ATOM 21 CB ASN A 2 81.507 -14.361 17.108 1.00 1.00 C ATOM 22 CG ASN A 2 81.117 -15.789 16.722 1.00 1.00 C ATOM 23 OD1 ASN A 2 79.974 -16.055 16.408 1.00 1.00 O ATOM 24 ND2 ASN A 2 82.026 -16.726 16.732 1.00 1.00 N ATOM 0 H ASN A 2 82.004 -13.494 20.135 1.00 1.00 H new ATOM 0 HA ASN A 2 80.611 -12.905 18.418 1.00 1.00 H new ATOM 0 HB2 ASN A 2 81.216 -13.668 16.318 1.00 1.00 H new ATOM 0 HB3 ASN A 2 82.589 -14.286 17.216 1.00 1.00 H new ATOM 0 HD21 ASN A 2 81.776 -17.681 16.476 1.00 1.00 H new ATOM 0 HD22 ASN A 2 82.986 -16.503 16.996 1.00 1.00 H new ATOM 31 N LEU A 3 78.417 -14.157 18.116 1.00 1.00 N ATOM 32 CA LEU A 3 77.090 -14.835 18.224 1.00 1.00 C ATOM 33 C LEU A 3 76.561 -15.139 16.822 1.00 1.00 C ATOM 34 O LEU A 3 76.836 -14.427 15.876 1.00 1.00 O ATOM 35 CB LEU A 3 76.104 -13.911 18.946 1.00 1.00 C ATOM 36 CG LEU A 3 74.856 -14.699 19.346 1.00 1.00 C ATOM 37 CD1 LEU A 3 74.901 -15.002 20.845 1.00 1.00 C ATOM 38 CD2 LEU A 3 73.608 -13.871 19.032 1.00 1.00 C ATOM 0 H LEU A 3 78.398 -13.242 17.667 1.00 1.00 H new ATOM 0 HA LEU A 3 77.200 -15.763 18.784 1.00 1.00 H new ATOM 0 HB2 LEU A 3 76.574 -13.482 19.831 1.00 1.00 H new ATOM 0 HB3 LEU A 3 75.828 -13.080 18.297 1.00 1.00 H new ATOM 0 HG LEU A 3 74.823 -15.634 18.787 1.00 1.00 H new ATOM 0 HD11 LEU A 3 74.011 -15.564 21.130 1.00 1.00 H new ATOM 0 HD12 LEU A 3 75.790 -15.591 21.071 1.00 1.00 H new ATOM 0 HD13 LEU A 3 74.934 -14.067 21.404 1.00 1.00 H new ATOM 0 HD21 LEU A 3 72.718 -14.432 19.317 1.00 1.00 H new ATOM 0 HD22 LEU A 3 73.642 -12.936 19.591 1.00 1.00 H new ATOM 0 HD23 LEU A 3 73.574 -13.655 17.964 1.00 1.00 H new ATOM 50 N GLU A 4 75.801 -16.190 16.678 1.00 1.00 N ATOM 51 CA GLU A 4 75.253 -16.534 15.337 1.00 1.00 C ATOM 52 C GLU A 4 74.609 -15.282 14.721 1.00 1.00 C ATOM 53 O GLU A 4 73.755 -14.667 15.328 1.00 1.00 O ATOM 54 CB GLU A 4 74.194 -17.629 15.493 1.00 1.00 C ATOM 55 CG GLU A 4 73.818 -18.178 14.115 1.00 1.00 C ATOM 56 CD GLU A 4 72.937 -17.164 13.384 1.00 1.00 C ATOM 57 OE1 GLU A 4 71.815 -16.963 13.817 1.00 1.00 O ATOM 58 OE2 GLU A 4 73.400 -16.606 12.402 1.00 1.00 O ATOM 0 H GLU A 4 75.536 -16.825 17.431 1.00 1.00 H new ATOM 0 HA GLU A 4 76.053 -16.890 14.689 1.00 1.00 H new ATOM 0 HB2 GLU A 4 74.576 -18.432 16.124 1.00 1.00 H new ATOM 0 HB3 GLU A 4 73.311 -17.227 15.989 1.00 1.00 H new ATOM 0 HG2 GLU A 4 74.718 -18.379 13.534 1.00 1.00 H new ATOM 0 HG3 GLU A 4 73.289 -19.125 14.221 1.00 1.00 H new ATOM 65 N PRO A 5 75.004 -14.901 13.528 1.00 1.00 N ATOM 66 CA PRO A 5 74.439 -13.702 12.849 1.00 1.00 C ATOM 67 C PRO A 5 72.924 -13.588 13.060 1.00 1.00 C ATOM 68 O PRO A 5 72.258 -14.566 13.336 1.00 1.00 O ATOM 69 CB PRO A 5 74.768 -13.948 11.377 1.00 1.00 C ATOM 70 CG PRO A 5 76.027 -14.752 11.396 1.00 1.00 C ATOM 71 CD PRO A 5 76.022 -15.564 12.697 1.00 1.00 C ATOM 0 HA PRO A 5 74.850 -12.769 13.236 1.00 1.00 H new ATOM 0 HB2 PRO A 5 73.963 -14.486 10.876 1.00 1.00 H new ATOM 0 HB3 PRO A 5 74.906 -13.009 10.840 1.00 1.00 H new ATOM 0 HG2 PRO A 5 76.076 -15.412 10.530 1.00 1.00 H new ATOM 0 HG3 PRO A 5 76.900 -14.102 11.351 1.00 1.00 H new ATOM 0 HD2 PRO A 5 75.769 -16.608 12.514 1.00 1.00 H new ATOM 0 HD3 PRO A 5 77.000 -15.552 13.179 1.00 1.00 H new ATOM 79 N PRO A 6 72.382 -12.403 12.936 1.00 1.00 N ATOM 80 CA PRO A 6 70.920 -12.171 13.122 1.00 1.00 C ATOM 81 C PRO A 6 70.091 -12.817 12.008 1.00 1.00 C ATOM 82 O PRO A 6 70.358 -12.634 10.837 1.00 1.00 O ATOM 83 CB PRO A 6 70.781 -10.644 13.088 1.00 1.00 C ATOM 84 CG PRO A 6 71.977 -10.155 12.340 1.00 1.00 C ATOM 85 CD PRO A 6 73.098 -11.162 12.603 1.00 1.00 C ATOM 0 HA PRO A 6 70.552 -12.614 14.047 1.00 1.00 H new ATOM 0 HB2 PRO A 6 69.858 -10.344 12.592 1.00 1.00 H new ATOM 0 HB3 PRO A 6 70.751 -10.229 14.096 1.00 1.00 H new ATOM 0 HG2 PRO A 6 71.764 -10.082 11.274 1.00 1.00 H new ATOM 0 HG3 PRO A 6 72.264 -9.159 12.677 1.00 1.00 H new ATOM 0 HD2 PRO A 6 73.735 -11.290 11.728 1.00 1.00 H new ATOM 0 HD3 PRO A 6 73.742 -10.840 13.421 1.00 1.00 H new ATOM 93 N LYS A 7 69.087 -13.568 12.372 1.00 1.00 N ATOM 94 CA LYS A 7 68.227 -14.237 11.352 1.00 1.00 C ATOM 95 C LYS A 7 67.128 -15.024 12.068 1.00 1.00 C ATOM 96 O LYS A 7 67.272 -15.407 13.212 1.00 1.00 O ATOM 97 CB LYS A 7 69.073 -15.204 10.510 1.00 1.00 C ATOM 98 CG LYS A 7 68.306 -15.595 9.245 1.00 1.00 C ATOM 99 CD LYS A 7 68.867 -14.825 8.049 1.00 1.00 C ATOM 100 CE LYS A 7 68.481 -13.349 8.164 1.00 1.00 C ATOM 101 NZ LYS A 7 68.697 -12.675 6.852 1.00 1.00 N ATOM 0 H LYS A 7 68.823 -13.749 13.341 1.00 1.00 H new ATOM 0 HA LYS A 7 67.785 -13.484 10.699 1.00 1.00 H new ATOM 0 HB2 LYS A 7 70.020 -14.735 10.242 1.00 1.00 H new ATOM 0 HB3 LYS A 7 69.312 -16.094 11.092 1.00 1.00 H new ATOM 0 HG2 LYS A 7 68.391 -16.668 9.072 1.00 1.00 H new ATOM 0 HG3 LYS A 7 67.245 -15.375 9.367 1.00 1.00 H new ATOM 0 HD2 LYS A 7 69.952 -14.926 8.014 1.00 1.00 H new ATOM 0 HD3 LYS A 7 68.478 -15.242 7.120 1.00 1.00 H new ATOM 0 HE2 LYS A 7 67.437 -13.257 8.464 1.00 1.00 H new ATOM 0 HE3 LYS A 7 69.079 -12.865 8.936 1.00 1.00 H new ATOM 0 HZ1 LYS A 7 68.435 -11.672 6.930 1.00 1.00 H new ATOM 0 HZ2 LYS A 7 69.699 -12.751 6.583 1.00 1.00 H new ATOM 0 HZ3 LYS A 7 68.108 -13.131 6.126 1.00 1.00 H new ATOM 115 N ALA A 8 66.031 -15.273 11.408 1.00 1.00 N ATOM 116 CA ALA A 8 64.929 -16.039 12.056 1.00 1.00 C ATOM 117 C ALA A 8 64.124 -16.774 10.983 1.00 1.00 C ATOM 118 O ALA A 8 64.159 -17.984 10.890 1.00 1.00 O ATOM 119 CB ALA A 8 64.012 -15.075 12.812 1.00 1.00 C ATOM 0 H ALA A 8 65.850 -14.979 10.448 1.00 1.00 H new ATOM 0 HA ALA A 8 65.349 -16.762 12.755 1.00 1.00 H new ATOM 0 HB1 ALA A 8 63.206 -15.636 13.286 1.00 1.00 H new ATOM 0 HB2 ALA A 8 64.586 -14.550 13.575 1.00 1.00 H new ATOM 0 HB3 ALA A 8 63.590 -14.352 12.114 1.00 1.00 H new ATOM 125 N GLU A 9 63.403 -16.048 10.174 1.00 1.00 N ATOM 126 CA GLU A 9 62.591 -16.693 9.102 1.00 1.00 C ATOM 127 C GLU A 9 61.652 -15.646 8.498 1.00 1.00 C ATOM 128 O GLU A 9 61.671 -15.393 7.309 1.00 1.00 O ATOM 129 CB GLU A 9 61.770 -17.847 9.699 1.00 1.00 C ATOM 130 CG GLU A 9 60.540 -18.107 8.827 1.00 1.00 C ATOM 131 CD GLU A 9 59.969 -19.490 9.148 1.00 1.00 C ATOM 132 OE1 GLU A 9 59.440 -19.653 10.235 1.00 1.00 O ATOM 133 OE2 GLU A 9 60.071 -20.362 8.301 1.00 1.00 O ATOM 0 H GLU A 9 63.341 -15.031 10.209 1.00 1.00 H new ATOM 0 HA GLU A 9 63.247 -17.090 8.327 1.00 1.00 H new ATOM 0 HB2 GLU A 9 62.381 -18.747 9.761 1.00 1.00 H new ATOM 0 HB3 GLU A 9 61.462 -17.600 10.715 1.00 1.00 H new ATOM 0 HG2 GLU A 9 59.786 -17.340 9.005 1.00 1.00 H new ATOM 0 HG3 GLU A 9 60.810 -18.049 7.773 1.00 1.00 H new ATOM 140 N CYS A 10 60.833 -15.035 9.313 1.00 1.00 N ATOM 141 CA CYS A 10 59.889 -14.000 8.803 1.00 1.00 C ATOM 142 C CYS A 10 60.072 -12.708 9.603 1.00 1.00 C ATOM 143 O CYS A 10 60.745 -12.685 10.615 1.00 1.00 O ATOM 144 CB CYS A 10 58.451 -14.498 8.963 1.00 1.00 C ATOM 145 SG CYS A 10 57.302 -13.223 8.388 1.00 1.00 S ATOM 0 H CYS A 10 60.778 -15.210 10.316 1.00 1.00 H new ATOM 0 HA CYS A 10 60.092 -13.809 7.749 1.00 1.00 H new ATOM 0 HB2 CYS A 10 58.307 -15.416 8.393 1.00 1.00 H new ATOM 0 HB3 CYS A 10 58.252 -14.737 10.008 1.00 1.00 H new ATOM 150 N ARG A 11 59.482 -11.633 9.159 1.00 1.00 N ATOM 151 CA ARG A 11 59.628 -10.347 9.898 1.00 1.00 C ATOM 152 C ARG A 11 58.528 -9.379 9.454 1.00 1.00 C ATOM 153 O ARG A 11 57.681 -9.713 8.650 1.00 1.00 O ATOM 154 CB ARG A 11 61.006 -9.741 9.596 1.00 1.00 C ATOM 155 CG ARG A 11 61.532 -9.016 10.836 1.00 1.00 C ATOM 156 CD ARG A 11 62.263 -10.011 11.739 1.00 1.00 C ATOM 157 NE ARG A 11 63.404 -10.613 10.993 1.00 1.00 N ATOM 158 CZ ARG A 11 64.101 -11.575 11.533 1.00 1.00 C ATOM 159 NH1 ARG A 11 63.800 -12.009 12.726 1.00 1.00 N ATOM 160 NH2 ARG A 11 65.100 -12.102 10.879 1.00 1.00 N ATOM 0 H ARG A 11 58.906 -11.589 8.318 1.00 1.00 H new ATOM 0 HA ARG A 11 59.540 -10.526 10.970 1.00 1.00 H new ATOM 0 HB2 ARG A 11 61.702 -10.525 9.299 1.00 1.00 H new ATOM 0 HB3 ARG A 11 60.933 -9.046 8.760 1.00 1.00 H new ATOM 0 HG2 ARG A 11 62.207 -8.213 10.541 1.00 1.00 H new ATOM 0 HG3 ARG A 11 60.706 -8.556 11.378 1.00 1.00 H new ATOM 0 HD2 ARG A 11 62.626 -9.507 12.635 1.00 1.00 H new ATOM 0 HD3 ARG A 11 61.577 -10.792 12.068 1.00 1.00 H new ATOM 0 HE ARG A 11 63.640 -10.273 10.061 1.00 1.00 H new ATOM 0 HH11 ARG A 11 63.020 -11.596 13.237 1.00 1.00 H new ATOM 0 HH12 ARG A 11 64.345 -12.761 13.148 1.00 1.00 H new ATOM 0 HH21 ARG A 11 65.335 -11.762 9.947 1.00 1.00 H new ATOM 0 HH22 ARG A 11 65.645 -12.854 11.300 1.00 1.00 H new ATOM 174 N SER A 12 58.537 -8.179 9.971 1.00 1.00 N ATOM 175 CA SER A 12 57.496 -7.186 9.580 1.00 1.00 C ATOM 176 C SER A 12 58.053 -6.265 8.492 1.00 1.00 C ATOM 177 O SER A 12 59.100 -5.669 8.648 1.00 1.00 O ATOM 178 CB SER A 12 57.105 -6.352 10.801 1.00 1.00 C ATOM 179 OG SER A 12 56.928 -7.211 11.919 1.00 1.00 O ATOM 0 H SER A 12 59.222 -7.844 10.648 1.00 1.00 H new ATOM 0 HA SER A 12 56.619 -7.709 9.200 1.00 1.00 H new ATOM 0 HB2 SER A 12 57.878 -5.613 11.014 1.00 1.00 H new ATOM 0 HB3 SER A 12 56.185 -5.802 10.601 1.00 1.00 H new ATOM 0 HG SER A 12 56.679 -6.679 12.704 1.00 1.00 H new ATOM 185 N ALA A 13 57.359 -6.145 7.391 1.00 1.00 N ATOM 186 CA ALA A 13 57.840 -5.263 6.285 1.00 1.00 C ATOM 187 C ALA A 13 56.741 -4.265 5.918 1.00 1.00 C ATOM 188 O ALA A 13 56.385 -4.115 4.766 1.00 1.00 O ATOM 189 CB ALA A 13 58.179 -6.119 5.063 1.00 1.00 C ATOM 0 H ALA A 13 56.476 -6.622 7.209 1.00 1.00 H new ATOM 0 HA ALA A 13 58.730 -4.723 6.609 1.00 1.00 H new ATOM 0 HB1 ALA A 13 58.530 -5.477 4.255 1.00 1.00 H new ATOM 0 HB2 ALA A 13 58.960 -6.833 5.324 1.00 1.00 H new ATOM 0 HB3 ALA A 13 57.289 -6.657 4.738 1.00 1.00 H new ATOM 195 N THR A 14 56.198 -3.584 6.892 1.00 1.00 N ATOM 196 CA THR A 14 55.117 -2.594 6.608 1.00 1.00 C ATOM 197 C THR A 14 55.696 -1.178 6.637 1.00 1.00 C ATOM 198 O THR A 14 55.586 -0.437 5.681 1.00 1.00 O ATOM 199 CB THR A 14 54.025 -2.718 7.673 1.00 1.00 C ATOM 200 OG1 THR A 14 54.586 -2.469 8.954 1.00 1.00 O ATOM 201 CG2 THR A 14 53.433 -4.128 7.638 1.00 1.00 C ATOM 0 H THR A 14 56.457 -3.671 7.875 1.00 1.00 H new ATOM 0 HA THR A 14 54.694 -2.791 5.623 1.00 1.00 H new ATOM 0 HB THR A 14 53.237 -1.992 7.473 1.00 1.00 H new ATOM 0 HG1 THR A 14 53.888 -2.546 9.637 1.00 1.00 H new ATOM 0 HG21 THR A 14 52.655 -4.215 8.397 1.00 1.00 H new ATOM 0 HG22 THR A 14 53.003 -4.318 6.655 1.00 1.00 H new ATOM 0 HG23 THR A 14 54.218 -4.857 7.838 1.00 1.00 H new ATOM 209 N ARG A 15 56.308 -0.801 7.733 1.00 1.00 N ATOM 210 CA ARG A 15 56.901 0.568 7.852 1.00 1.00 C ATOM 211 C ARG A 15 56.097 1.570 7.015 1.00 1.00 C ATOM 212 O ARG A 15 54.960 1.873 7.318 1.00 1.00 O ATOM 213 CB ARG A 15 58.359 0.547 7.378 1.00 1.00 C ATOM 214 CG ARG A 15 58.477 -0.309 6.116 1.00 1.00 C ATOM 215 CD ARG A 15 59.898 -0.205 5.559 1.00 1.00 C ATOM 216 NE ARG A 15 60.401 -1.567 5.223 1.00 1.00 N ATOM 217 CZ ARG A 15 60.905 -2.326 6.157 1.00 1.00 C ATOM 218 NH1 ARG A 15 60.969 -1.892 7.386 1.00 1.00 N ATOM 219 NH2 ARG A 15 61.345 -3.519 5.863 1.00 1.00 N ATOM 0 H ARG A 15 56.423 -1.389 8.558 1.00 1.00 H new ATOM 0 HA ARG A 15 56.867 0.875 8.897 1.00 1.00 H new ATOM 0 HB2 ARG A 15 58.700 1.562 7.174 1.00 1.00 H new ATOM 0 HB3 ARG A 15 59.001 0.146 8.162 1.00 1.00 H new ATOM 0 HG2 ARG A 15 58.240 -1.348 6.345 1.00 1.00 H new ATOM 0 HG3 ARG A 15 57.757 0.025 5.369 1.00 1.00 H new ATOM 0 HD2 ARG A 15 59.907 0.427 4.671 1.00 1.00 H new ATOM 0 HD3 ARG A 15 60.554 0.266 6.291 1.00 1.00 H new ATOM 0 HE ARG A 15 60.351 -1.906 4.262 1.00 1.00 H new ATOM 0 HH11 ARG A 15 60.625 -0.960 7.616 1.00 1.00 H new ATOM 0 HH12 ARG A 15 61.363 -2.485 8.116 1.00 1.00 H new ATOM 0 HH21 ARG A 15 61.295 -3.859 4.903 1.00 1.00 H new ATOM 0 HH22 ARG A 15 61.739 -4.112 6.594 1.00 1.00 H new ATOM 233 N VAL A 16 56.678 2.087 5.967 1.00 1.00 N ATOM 234 CA VAL A 16 55.945 3.067 5.117 1.00 1.00 C ATOM 235 C VAL A 16 56.677 3.240 3.785 1.00 1.00 C ATOM 236 O VAL A 16 56.067 3.341 2.740 1.00 1.00 O ATOM 237 CB VAL A 16 55.876 4.414 5.839 1.00 1.00 C ATOM 238 CG1 VAL A 16 57.292 4.894 6.163 1.00 1.00 C ATOM 239 CG2 VAL A 16 55.186 5.440 4.937 1.00 1.00 C ATOM 0 H VAL A 16 57.628 1.873 5.663 1.00 1.00 H new ATOM 0 HA VAL A 16 54.936 2.701 4.930 1.00 1.00 H new ATOM 0 HB VAL A 16 55.310 4.301 6.764 1.00 1.00 H new ATOM 0 HG11 VAL A 16 57.242 5.854 6.677 1.00 1.00 H new ATOM 0 HG12 VAL A 16 57.786 4.164 6.804 1.00 1.00 H new ATOM 0 HG13 VAL A 16 57.858 5.007 5.239 1.00 1.00 H new ATOM 0 HG21 VAL A 16 55.136 6.400 5.450 1.00 1.00 H new ATOM 0 HG22 VAL A 16 55.753 5.551 4.013 1.00 1.00 H new ATOM 0 HG23 VAL A 16 54.177 5.100 4.705 1.00 1.00 H new ATOM 249 N MET A 17 57.981 3.277 3.816 1.00 1.00 N ATOM 250 CA MET A 17 58.755 3.444 2.553 1.00 1.00 C ATOM 251 C MET A 17 58.393 4.784 1.905 1.00 1.00 C ATOM 252 O MET A 17 59.145 5.737 1.969 1.00 1.00 O ATOM 253 CB MET A 17 58.423 2.297 1.593 1.00 1.00 C ATOM 254 CG MET A 17 59.540 2.160 0.556 1.00 1.00 C ATOM 255 SD MET A 17 60.965 1.337 1.310 1.00 1.00 S ATOM 256 CE MET A 17 62.250 2.240 0.410 1.00 1.00 C ATOM 0 H MET A 17 58.545 3.199 4.662 1.00 1.00 H new ATOM 0 HA MET A 17 59.822 3.429 2.775 1.00 1.00 H new ATOM 0 HB2 MET A 17 58.311 1.365 2.148 1.00 1.00 H new ATOM 0 HB3 MET A 17 57.472 2.488 1.096 1.00 1.00 H new ATOM 0 HG2 MET A 17 59.187 1.587 -0.301 1.00 1.00 H new ATOM 0 HG3 MET A 17 59.829 3.143 0.185 1.00 1.00 H new ATOM 0 HE1 MET A 17 63.232 1.886 0.725 1.00 1.00 H new ATOM 0 HE2 MET A 17 62.130 2.073 -0.660 1.00 1.00 H new ATOM 0 HE3 MET A 17 62.163 3.305 0.623 1.00 1.00 H new ATOM 266 N GLY A 18 57.249 4.867 1.282 1.00 1.00 N ATOM 267 CA GLY A 18 56.845 6.148 0.633 1.00 1.00 C ATOM 268 C GLY A 18 55.844 5.864 -0.489 1.00 1.00 C ATOM 269 O GLY A 18 55.308 4.779 -0.597 1.00 1.00 O ATOM 0 H GLY A 18 56.577 4.105 1.194 1.00 1.00 H new ATOM 0 HA2 GLY A 18 56.400 6.816 1.370 1.00 1.00 H new ATOM 0 HA3 GLY A 18 57.722 6.656 0.231 1.00 1.00 H new ATOM 273 N GLY A 19 55.589 6.833 -1.326 1.00 1.00 N ATOM 274 CA GLY A 19 54.624 6.623 -2.443 1.00 1.00 C ATOM 275 C GLY A 19 55.176 5.562 -3.401 1.00 1.00 C ATOM 276 O GLY A 19 55.954 4.714 -3.010 1.00 1.00 O ATOM 0 H GLY A 19 56.008 7.762 -1.284 1.00 1.00 H new ATOM 0 HA2 GLY A 19 53.658 6.306 -2.049 1.00 1.00 H new ATOM 0 HA3 GLY A 19 54.459 7.559 -2.976 1.00 1.00 H new ATOM 280 N PRO A 20 54.776 5.607 -4.646 1.00 1.00 N ATOM 281 CA PRO A 20 55.241 4.631 -5.675 1.00 1.00 C ATOM 282 C PRO A 20 56.766 4.487 -5.689 1.00 1.00 C ATOM 283 O PRO A 20 57.450 4.969 -4.808 1.00 1.00 O ATOM 284 CB PRO A 20 54.742 5.227 -6.996 1.00 1.00 C ATOM 285 CG PRO A 20 53.569 6.071 -6.624 1.00 1.00 C ATOM 286 CD PRO A 20 53.835 6.589 -5.209 1.00 1.00 C ATOM 0 HA PRO A 20 54.862 3.627 -5.483 1.00 1.00 H new ATOM 0 HB2 PRO A 20 55.518 5.821 -7.478 1.00 1.00 H new ATOM 0 HB3 PRO A 20 54.457 4.444 -7.699 1.00 1.00 H new ATOM 0 HG2 PRO A 20 53.449 6.898 -7.323 1.00 1.00 H new ATOM 0 HG3 PRO A 20 52.647 5.490 -6.657 1.00 1.00 H new ATOM 0 HD2 PRO A 20 54.264 7.591 -5.224 1.00 1.00 H new ATOM 0 HD3 PRO A 20 52.917 6.644 -4.624 1.00 1.00 H new ATOM 294 N CYS A 21 57.303 3.827 -6.682 1.00 1.00 N ATOM 295 CA CYS A 21 58.782 3.650 -6.754 1.00 1.00 C ATOM 296 C CYS A 21 59.290 4.143 -8.111 1.00 1.00 C ATOM 297 O CYS A 21 59.279 3.423 -9.089 1.00 1.00 O ATOM 298 CB CYS A 21 59.123 2.167 -6.588 1.00 1.00 C ATOM 299 SG CYS A 21 57.845 1.162 -7.384 1.00 1.00 S ATOM 0 H CYS A 21 56.779 3.402 -7.447 1.00 1.00 H new ATOM 0 HA CYS A 21 59.258 4.225 -5.959 1.00 1.00 H new ATOM 0 HB2 CYS A 21 60.096 1.955 -7.031 1.00 1.00 H new ATOM 0 HB3 CYS A 21 59.193 1.915 -5.530 1.00 1.00 H new ATOM 304 N THR A 22 59.743 5.366 -8.171 1.00 1.00 N ATOM 305 CA THR A 22 60.264 5.916 -9.456 1.00 1.00 C ATOM 306 C THR A 22 61.451 6.844 -9.159 1.00 1.00 C ATOM 307 O THR A 22 61.269 7.928 -8.645 1.00 1.00 O ATOM 308 CB THR A 22 59.156 6.713 -10.154 1.00 1.00 C ATOM 309 OG1 THR A 22 59.647 7.224 -11.385 1.00 1.00 O ATOM 310 CG2 THR A 22 58.715 7.871 -9.257 1.00 1.00 C ATOM 0 H THR A 22 59.775 6.011 -7.382 1.00 1.00 H new ATOM 0 HA THR A 22 60.587 5.100 -10.103 1.00 1.00 H new ATOM 0 HB THR A 22 58.304 6.061 -10.345 1.00 1.00 H new ATOM 0 HG1 THR A 22 58.940 7.733 -11.834 1.00 1.00 H new ATOM 0 HG21 THR A 22 57.927 8.437 -9.754 1.00 1.00 H new ATOM 0 HG22 THR A 22 58.338 7.477 -8.313 1.00 1.00 H new ATOM 0 HG23 THR A 22 59.565 8.525 -9.063 1.00 1.00 H new ATOM 318 N PRO A 23 62.657 6.428 -9.471 1.00 1.00 N ATOM 319 CA PRO A 23 63.877 7.254 -9.219 1.00 1.00 C ATOM 320 C PRO A 23 63.702 8.709 -9.676 1.00 1.00 C ATOM 321 O PRO A 23 64.256 9.129 -10.673 1.00 1.00 O ATOM 322 CB PRO A 23 64.962 6.553 -10.041 1.00 1.00 C ATOM 323 CG PRO A 23 64.526 5.127 -10.114 1.00 1.00 C ATOM 324 CD PRO A 23 62.994 5.135 -10.090 1.00 1.00 C ATOM 0 HA PRO A 23 64.112 7.320 -8.157 1.00 1.00 H new ATOM 0 HB2 PRO A 23 65.049 6.991 -11.035 1.00 1.00 H new ATOM 0 HB3 PRO A 23 65.939 6.644 -9.566 1.00 1.00 H new ATOM 0 HG2 PRO A 23 64.897 4.655 -11.024 1.00 1.00 H new ATOM 0 HG3 PRO A 23 64.924 4.557 -9.274 1.00 1.00 H new ATOM 0 HD2 PRO A 23 62.578 5.052 -11.094 1.00 1.00 H new ATOM 0 HD3 PRO A 23 62.599 4.300 -9.511 1.00 1.00 H new ATOM 332 N ARG A 24 62.934 9.478 -8.952 1.00 1.00 N ATOM 333 CA ARG A 24 62.717 10.902 -9.339 1.00 1.00 C ATOM 334 C ARG A 24 62.411 10.983 -10.839 1.00 1.00 C ATOM 335 O ARG A 24 61.271 10.900 -11.253 1.00 1.00 O ATOM 336 CB ARG A 24 63.980 11.719 -9.018 1.00 1.00 C ATOM 337 CG ARG A 24 63.800 12.441 -7.681 1.00 1.00 C ATOM 338 CD ARG A 24 63.129 13.795 -7.918 1.00 1.00 C ATOM 339 NE ARG A 24 61.732 13.581 -8.390 1.00 1.00 N ATOM 340 CZ ARG A 24 60.787 13.314 -7.531 1.00 1.00 C ATOM 341 NH1 ARG A 24 61.064 13.233 -6.259 1.00 1.00 N ATOM 342 NH2 ARG A 24 59.563 13.127 -7.945 1.00 1.00 N ATOM 0 H ARG A 24 62.446 9.181 -8.107 1.00 1.00 H new ATOM 0 HA ARG A 24 61.875 11.309 -8.779 1.00 1.00 H new ATOM 0 HB2 ARG A 24 64.849 11.062 -8.974 1.00 1.00 H new ATOM 0 HB3 ARG A 24 64.168 12.443 -9.811 1.00 1.00 H new ATOM 0 HG2 ARG A 24 63.193 11.836 -7.008 1.00 1.00 H new ATOM 0 HG3 ARG A 24 64.767 12.582 -7.199 1.00 1.00 H new ATOM 0 HD2 ARG A 24 63.128 14.378 -6.997 1.00 1.00 H new ATOM 0 HD3 ARG A 24 63.690 14.367 -8.657 1.00 1.00 H new ATOM 0 HE ARG A 24 61.515 13.643 -9.385 1.00 1.00 H new ATOM 0 HH11 ARG A 24 62.020 13.378 -5.935 1.00 1.00 H new ATOM 0 HH12 ARG A 24 60.324 13.024 -5.588 1.00 1.00 H new ATOM 0 HH21 ARG A 24 59.346 13.190 -8.940 1.00 1.00 H new ATOM 0 HH22 ARG A 24 58.824 12.918 -7.274 1.00 1.00 H new ATOM 356 N LYS A 25 63.418 11.145 -11.655 1.00 1.00 N ATOM 357 CA LYS A 25 63.182 11.233 -13.125 1.00 1.00 C ATOM 358 C LYS A 25 63.337 9.843 -13.749 1.00 1.00 C ATOM 359 O LYS A 25 62.614 9.473 -14.653 1.00 1.00 O ATOM 360 CB LYS A 25 64.203 12.199 -13.747 1.00 1.00 C ATOM 361 CG LYS A 25 63.530 13.011 -14.856 1.00 1.00 C ATOM 362 CD LYS A 25 62.760 14.179 -14.238 1.00 1.00 C ATOM 363 CE LYS A 25 63.685 15.391 -14.111 1.00 1.00 C ATOM 364 NZ LYS A 25 63.763 16.096 -15.421 1.00 1.00 N ATOM 0 H LYS A 25 64.394 11.220 -11.367 1.00 1.00 H new ATOM 0 HA LYS A 25 62.174 11.602 -13.314 1.00 1.00 H new ATOM 0 HB2 LYS A 25 64.600 12.867 -12.982 1.00 1.00 H new ATOM 0 HB3 LYS A 25 65.047 11.641 -14.152 1.00 1.00 H new ATOM 0 HG2 LYS A 25 64.280 13.384 -15.554 1.00 1.00 H new ATOM 0 HG3 LYS A 25 62.852 12.376 -15.426 1.00 1.00 H new ATOM 0 HD2 LYS A 25 61.899 14.429 -14.858 1.00 1.00 H new ATOM 0 HD3 LYS A 25 62.376 13.897 -13.258 1.00 1.00 H new ATOM 0 HE2 LYS A 25 63.311 16.068 -13.343 1.00 1.00 H new ATOM 0 HE3 LYS A 25 64.679 15.072 -13.798 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 64.625 16.676 -15.452 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 63.788 15.397 -16.191 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 62.930 16.708 -15.536 1.00 1.00 H new ATOM 378 N GLY A 26 64.274 9.071 -13.272 1.00 1.00 N ATOM 379 CA GLY A 26 64.475 7.706 -13.837 1.00 1.00 C ATOM 380 C GLY A 26 65.879 7.214 -13.488 1.00 1.00 C ATOM 381 O GLY A 26 66.596 7.843 -12.736 1.00 1.00 O ATOM 0 H GLY A 26 64.909 9.326 -12.516 1.00 1.00 H new ATOM 0 HA2 GLY A 26 63.728 7.021 -13.437 1.00 1.00 H new ATOM 0 HA3 GLY A 26 64.343 7.725 -14.919 1.00 1.00 H new ATOM 385 N PRO A 27 66.267 6.094 -14.035 1.00 1.00 N ATOM 386 CA PRO A 27 67.611 5.500 -13.784 1.00 1.00 C ATOM 387 C PRO A 27 68.733 6.546 -13.891 1.00 1.00 C ATOM 388 O PRO A 27 68.894 7.176 -14.917 1.00 1.00 O ATOM 389 CB PRO A 27 67.748 4.453 -14.892 1.00 1.00 C ATOM 390 CG PRO A 27 66.350 4.051 -15.226 1.00 1.00 C ATOM 391 CD PRO A 27 65.465 5.269 -14.954 1.00 1.00 C ATOM 0 HA PRO A 27 67.697 5.088 -12.779 1.00 1.00 H new ATOM 0 HB2 PRO A 27 68.258 4.866 -15.763 1.00 1.00 H new ATOM 0 HB3 PRO A 27 68.334 3.598 -14.555 1.00 1.00 H new ATOM 0 HG2 PRO A 27 66.275 3.743 -16.269 1.00 1.00 H new ATOM 0 HG3 PRO A 27 66.036 3.202 -14.619 1.00 1.00 H new ATOM 0 HD2 PRO A 27 65.232 5.807 -15.873 1.00 1.00 H new ATOM 0 HD3 PRO A 27 64.515 4.980 -14.505 1.00 1.00 H new ATOM 399 N PRO A 28 69.506 6.733 -12.847 1.00 1.00 N ATOM 400 CA PRO A 28 70.621 7.721 -12.848 1.00 1.00 C ATOM 401 C PRO A 28 71.417 7.699 -14.157 1.00 1.00 C ATOM 402 O PRO A 28 71.608 6.663 -14.762 1.00 1.00 O ATOM 403 CB PRO A 28 71.490 7.272 -11.675 1.00 1.00 C ATOM 404 CG PRO A 28 70.535 6.640 -10.716 1.00 1.00 C ATOM 405 CD PRO A 28 69.406 6.031 -11.557 1.00 1.00 C ATOM 0 HA PRO A 28 70.262 8.746 -12.758 1.00 1.00 H new ATOM 0 HB2 PRO A 28 72.255 6.565 -11.996 1.00 1.00 H new ATOM 0 HB3 PRO A 28 72.008 8.116 -11.220 1.00 1.00 H new ATOM 0 HG2 PRO A 28 71.033 5.873 -10.123 1.00 1.00 H new ATOM 0 HG3 PRO A 28 70.142 7.379 -10.017 1.00 1.00 H new ATOM 0 HD2 PRO A 28 69.533 4.955 -11.677 1.00 1.00 H new ATOM 0 HD3 PRO A 28 68.433 6.187 -11.092 1.00 1.00 H new ATOM 413 N LYS A 29 71.880 8.836 -14.599 1.00 1.00 N ATOM 414 CA LYS A 29 72.658 8.883 -15.868 1.00 1.00 C ATOM 415 C LYS A 29 74.023 8.224 -15.653 1.00 1.00 C ATOM 416 O LYS A 29 74.899 8.301 -16.492 1.00 1.00 O ATOM 417 CB LYS A 29 72.850 10.344 -16.293 1.00 1.00 C ATOM 418 CG LYS A 29 72.986 10.420 -17.815 1.00 1.00 C ATOM 419 CD LYS A 29 73.596 11.768 -18.207 1.00 1.00 C ATOM 420 CE LYS A 29 73.216 12.100 -19.651 1.00 1.00 C ATOM 421 NZ LYS A 29 71.845 12.681 -19.684 1.00 1.00 N ATOM 0 H LYS A 29 71.753 9.735 -14.135 1.00 1.00 H new ATOM 0 HA LYS A 29 72.118 8.347 -16.649 1.00 1.00 H new ATOM 0 HB2 LYS A 29 72.002 10.944 -15.963 1.00 1.00 H new ATOM 0 HB3 LYS A 29 73.739 10.758 -15.817 1.00 1.00 H new ATOM 0 HG2 LYS A 29 73.615 9.606 -18.176 1.00 1.00 H new ATOM 0 HG3 LYS A 29 72.009 10.301 -18.284 1.00 1.00 H new ATOM 0 HD2 LYS A 29 73.238 12.550 -17.537 1.00 1.00 H new ATOM 0 HD3 LYS A 29 74.681 11.732 -18.104 1.00 1.00 H new ATOM 0 HE2 LYS A 29 73.932 12.806 -20.073 1.00 1.00 H new ATOM 0 HE3 LYS A 29 73.256 11.200 -20.265 1.00 1.00 H new ATOM 0 HZ1 LYS A 29 71.447 12.579 -20.640 1.00 1.00 H new ATOM 0 HZ2 LYS A 29 71.240 12.181 -19.002 1.00 1.00 H new ATOM 0 HZ3 LYS A 29 71.889 13.689 -19.434 1.00 1.00 H new ATOM 435 N CYS A 30 74.211 7.577 -14.534 1.00 1.00 N ATOM 436 CA CYS A 30 75.517 6.913 -14.263 1.00 1.00 C ATOM 437 C CYS A 30 76.659 7.866 -14.631 1.00 1.00 C ATOM 438 O CYS A 30 77.147 7.867 -15.744 1.00 1.00 O ATOM 439 CB CYS A 30 75.622 5.632 -15.098 1.00 1.00 C ATOM 440 SG CYS A 30 73.960 5.022 -15.476 1.00 1.00 S ATOM 0 H CYS A 30 73.515 7.480 -13.795 1.00 1.00 H new ATOM 0 HA CYS A 30 75.586 6.659 -13.205 1.00 1.00 H new ATOM 0 HB2 CYS A 30 76.167 5.830 -16.021 1.00 1.00 H new ATOM 0 HB3 CYS A 30 76.184 4.874 -14.552 1.00 1.00 H new ATOM 445 N LYS A 31 77.085 8.682 -13.706 1.00 1.00 N ATOM 446 CA LYS A 31 78.191 9.636 -14.006 1.00 1.00 C ATOM 447 C LYS A 31 79.534 8.948 -13.744 1.00 1.00 C ATOM 448 O LYS A 31 80.533 9.592 -13.492 1.00 1.00 O ATOM 449 CB LYS A 31 78.075 10.899 -13.122 1.00 1.00 C ATOM 450 CG LYS A 31 76.803 10.828 -12.275 1.00 1.00 C ATOM 451 CD LYS A 31 77.152 10.341 -10.868 1.00 1.00 C ATOM 452 CE LYS A 31 77.324 8.820 -10.882 1.00 1.00 C ATOM 453 NZ LYS A 31 77.719 8.353 -9.524 1.00 1.00 N ATOM 0 H LYS A 31 76.716 8.730 -12.756 1.00 1.00 H new ATOM 0 HA LYS A 31 78.124 9.937 -15.051 1.00 1.00 H new ATOM 0 HB2 LYS A 31 78.949 10.982 -12.475 1.00 1.00 H new ATOM 0 HB3 LYS A 31 78.056 11.791 -13.748 1.00 1.00 H new ATOM 0 HG2 LYS A 31 76.332 11.810 -12.225 1.00 1.00 H new ATOM 0 HG3 LYS A 31 76.083 10.152 -12.737 1.00 1.00 H new ATOM 0 HD2 LYS A 31 78.070 10.818 -10.524 1.00 1.00 H new ATOM 0 HD3 LYS A 31 76.365 10.622 -10.169 1.00 1.00 H new ATOM 0 HE2 LYS A 31 76.394 8.341 -11.187 1.00 1.00 H new ATOM 0 HE3 LYS A 31 78.083 8.536 -11.611 1.00 1.00 H new ATOM 0 HZ2 LYS A 31 77.836 7.320 -9.533 1.00 1.00 H new ATOM 467 N GLN A 32 79.567 7.644 -13.803 1.00 1.00 N ATOM 468 CA GLN A 32 80.846 6.920 -13.557 1.00 1.00 C ATOM 469 C GLN A 32 80.807 5.560 -14.257 1.00 1.00 C ATOM 470 O GLN A 32 79.951 4.739 -13.992 1.00 1.00 O ATOM 471 CB GLN A 32 81.036 6.711 -12.052 1.00 1.00 C ATOM 472 CG GLN A 32 81.312 8.057 -11.379 1.00 1.00 C ATOM 473 CD GLN A 32 81.865 7.822 -9.973 1.00 1.00 C ATOM 474 OE1 GLN A 32 83.059 7.691 -9.791 1.00 1.00 O ATOM 475 NE2 GLN A 32 81.041 7.761 -8.962 1.00 1.00 N ATOM 0 H GLN A 32 78.764 7.050 -14.011 1.00 1.00 H new ATOM 0 HA GLN A 32 81.675 7.509 -13.950 1.00 1.00 H new ATOM 0 HB2 GLN A 32 80.145 6.254 -11.622 1.00 1.00 H new ATOM 0 HB3 GLN A 32 81.864 6.026 -11.871 1.00 1.00 H new ATOM 0 HG2 GLN A 32 82.025 8.631 -11.970 1.00 1.00 H new ATOM 0 HG3 GLN A 32 80.395 8.644 -11.327 1.00 1.00 H new ATOM 0 HE21 GLN A 32 80.038 7.871 -9.114 1.00 1.00 H new ATOM 0 HE22 GLN A 32 81.400 7.603 -8.020 1.00 1.00 H new ATOM 484 N ARG A 33 81.730 5.317 -15.149 1.00 1.00 N ATOM 485 CA ARG A 33 81.757 4.011 -15.872 1.00 1.00 C ATOM 486 C ARG A 33 83.202 3.517 -15.965 1.00 1.00 C ATOM 487 O ARG A 33 83.910 3.814 -16.906 1.00 1.00 O ATOM 488 CB ARG A 33 81.191 4.197 -17.283 1.00 1.00 C ATOM 489 CG ARG A 33 79.666 4.296 -17.218 1.00 1.00 C ATOM 490 CD ARG A 33 79.054 2.910 -17.436 1.00 1.00 C ATOM 491 NE ARG A 33 79.919 1.880 -16.796 1.00 1.00 N ATOM 492 CZ ARG A 33 79.417 0.722 -16.463 1.00 1.00 C ATOM 493 NH1 ARG A 33 78.158 0.467 -16.691 1.00 1.00 N ATOM 494 NH2 ARG A 33 80.175 -0.181 -15.902 1.00 1.00 N ATOM 0 H ARG A 33 82.470 5.969 -15.409 1.00 1.00 H new ATOM 0 HA ARG A 33 81.153 3.281 -15.332 1.00 1.00 H new ATOM 0 HB2 ARG A 33 81.605 5.098 -17.735 1.00 1.00 H new ATOM 0 HB3 ARG A 33 81.484 3.359 -17.916 1.00 1.00 H new ATOM 0 HG2 ARG A 33 79.358 4.693 -16.251 1.00 1.00 H new ATOM 0 HG3 ARG A 33 79.303 4.989 -17.977 1.00 1.00 H new ATOM 0 HD2 ARG A 33 78.051 2.873 -17.012 1.00 1.00 H new ATOM 0 HD3 ARG A 33 78.957 2.707 -18.503 1.00 1.00 H new ATOM 0 HE ARG A 33 80.903 2.080 -16.618 1.00 1.00 H new ATOM 0 HH11 ARG A 33 77.566 1.172 -17.129 1.00 1.00 H new ATOM 0 HH12 ARG A 33 77.766 -0.438 -16.431 1.00 1.00 H new ATOM 0 HH21 ARG A 33 81.159 0.018 -15.724 1.00 1.00 H new ATOM 0 HH22 ARG A 33 79.783 -1.086 -15.642 1.00 1.00 H new ATOM 508 N GLN A 34 83.645 2.767 -14.994 1.00 1.00 N ATOM 509 CA GLN A 34 85.045 2.258 -15.027 1.00 1.00 C ATOM 510 C GLN A 34 85.213 1.157 -13.976 1.00 1.00 C ATOM 511 O GLN A 34 84.520 1.127 -12.979 1.00 1.00 O ATOM 512 CB GLN A 34 86.011 3.408 -14.723 1.00 1.00 C ATOM 513 CG GLN A 34 87.424 3.022 -15.166 1.00 1.00 C ATOM 514 CD GLN A 34 87.565 3.244 -16.673 1.00 1.00 C ATOM 515 OE1 GLN A 34 86.598 3.165 -17.404 1.00 1.00 O ATOM 516 NE2 GLN A 34 88.739 3.520 -17.172 1.00 1.00 N ATOM 0 H GLN A 34 83.099 2.485 -14.180 1.00 1.00 H new ATOM 0 HA GLN A 34 85.262 1.852 -16.015 1.00 1.00 H new ATOM 0 HB2 GLN A 34 85.691 4.312 -15.241 1.00 1.00 H new ATOM 0 HB3 GLN A 34 86.002 3.632 -13.656 1.00 1.00 H new ATOM 0 HG2 GLN A 34 88.161 3.620 -14.629 1.00 1.00 H new ATOM 0 HG3 GLN A 34 87.621 1.978 -14.921 1.00 1.00 H new ATOM 0 HE21 GLN A 34 89.551 3.586 -16.558 1.00 1.00 H new ATOM 0 HE22 GLN A 34 88.844 3.669 -18.175 1.00 1.00 H new ATOM 525 N THR A 35 86.132 0.254 -14.192 1.00 1.00 N ATOM 526 CA THR A 35 86.350 -0.845 -13.208 1.00 1.00 C ATOM 527 C THR A 35 87.504 -0.470 -12.277 1.00 1.00 C ATOM 528 O THR A 35 88.102 0.580 -12.405 1.00 1.00 O ATOM 529 CB THR A 35 86.697 -2.135 -13.955 1.00 1.00 C ATOM 530 OG1 THR A 35 88.039 -2.067 -14.414 1.00 1.00 O ATOM 531 CG2 THR A 35 85.755 -2.305 -15.148 1.00 1.00 C ATOM 0 H THR A 35 86.742 0.230 -15.009 1.00 1.00 H new ATOM 0 HA THR A 35 85.443 -0.996 -12.622 1.00 1.00 H new ATOM 0 HB THR A 35 86.585 -2.986 -13.283 1.00 1.00 H new ATOM 0 HG1 THR A 35 88.264 -2.893 -14.891 1.00 1.00 H new ATOM 0 HG21 THR A 35 86.003 -3.224 -15.679 1.00 1.00 H new ATOM 0 HG22 THR A 35 84.725 -2.357 -14.794 1.00 1.00 H new ATOM 0 HG23 THR A 35 85.864 -1.455 -15.822 1.00 1.00 H new ATOM 539 N ARG A 36 87.821 -1.321 -11.341 1.00 1.00 N ATOM 540 CA ARG A 36 88.938 -1.017 -10.399 1.00 1.00 C ATOM 541 C ARG A 36 88.812 0.425 -9.904 1.00 1.00 C ATOM 542 O ARG A 36 89.795 1.103 -9.682 1.00 1.00 O ATOM 543 CB ARG A 36 90.276 -1.192 -11.121 1.00 1.00 C ATOM 544 CG ARG A 36 90.322 -2.570 -11.784 1.00 1.00 C ATOM 545 CD ARG A 36 91.639 -2.726 -12.548 1.00 1.00 C ATOM 546 NE ARG A 36 91.625 -4.009 -13.304 1.00 1.00 N ATOM 547 CZ ARG A 36 92.721 -4.451 -13.860 1.00 1.00 C ATOM 548 NH1 ARG A 36 93.827 -3.767 -13.754 1.00 1.00 N ATOM 549 NH2 ARG A 36 92.709 -5.575 -14.522 1.00 1.00 N ATOM 0 H ARG A 36 87.355 -2.215 -11.186 1.00 1.00 H new ATOM 0 HA ARG A 36 88.891 -1.698 -9.549 1.00 1.00 H new ATOM 0 HB2 ARG A 36 90.401 -0.411 -11.871 1.00 1.00 H new ATOM 0 HB3 ARG A 36 91.099 -1.089 -10.414 1.00 1.00 H new ATOM 0 HG2 ARG A 36 90.232 -3.351 -11.029 1.00 1.00 H new ATOM 0 HG3 ARG A 36 89.479 -2.686 -12.465 1.00 1.00 H new ATOM 0 HD2 ARG A 36 91.776 -1.889 -13.233 1.00 1.00 H new ATOM 0 HD3 ARG A 36 92.479 -2.710 -11.853 1.00 1.00 H new ATOM 0 HE ARG A 36 90.760 -4.542 -13.388 1.00 1.00 H new ATOM 0 HH11 ARG A 36 93.835 -2.888 -13.237 1.00 1.00 H new ATOM 0 HH12 ARG A 36 94.683 -4.112 -14.188 1.00 1.00 H new ATOM 0 HH21 ARG A 36 91.844 -6.109 -14.605 1.00 1.00 H new ATOM 0 HH22 ARG A 36 93.565 -5.920 -14.956 1.00 1.00 H new ATOM 563 N GLN A 37 87.609 0.902 -9.733 1.00 1.00 N ATOM 564 CA GLN A 37 87.423 2.302 -9.255 1.00 1.00 C ATOM 565 C GLN A 37 87.541 2.344 -7.730 1.00 1.00 C ATOM 566 O GLN A 37 86.850 1.637 -7.025 1.00 1.00 O ATOM 567 CB GLN A 37 86.038 2.803 -9.677 1.00 1.00 C ATOM 568 CG GLN A 37 84.960 1.909 -9.060 1.00 1.00 C ATOM 569 CD GLN A 37 83.649 2.084 -9.830 1.00 1.00 C ATOM 570 OE1 GLN A 37 83.026 1.117 -10.219 1.00 1.00 O ATOM 571 NE2 GLN A 37 83.203 3.287 -10.068 1.00 1.00 N ATOM 0 H GLN A 37 86.747 0.383 -9.903 1.00 1.00 H new ATOM 0 HA GLN A 37 88.190 2.941 -9.693 1.00 1.00 H new ATOM 0 HB2 GLN A 37 85.899 3.834 -9.353 1.00 1.00 H new ATOM 0 HB3 GLN A 37 85.953 2.796 -10.764 1.00 1.00 H new ATOM 0 HG2 GLN A 37 85.276 0.866 -9.091 1.00 1.00 H new ATOM 0 HG3 GLN A 37 84.815 2.167 -8.011 1.00 1.00 H new ATOM 0 HE21 GLN A 37 83.727 4.099 -9.741 1.00 1.00 H new ATOM 0 HE22 GLN A 37 82.331 3.415 -10.581 1.00 1.00 H new ATOM 580 N CYS A 38 88.411 3.173 -7.217 1.00 1.00 N ATOM 581 CA CYS A 38 88.577 3.268 -5.738 1.00 1.00 C ATOM 582 C CYS A 38 88.991 1.903 -5.180 1.00 1.00 C ATOM 583 O CYS A 38 88.311 0.913 -5.365 1.00 1.00 O ATOM 584 CB CYS A 38 87.252 3.704 -5.100 1.00 1.00 C ATOM 585 SG CYS A 38 87.410 5.396 -4.476 1.00 1.00 S ATOM 0 H CYS A 38 89.015 3.790 -7.760 1.00 1.00 H new ATOM 0 HA CYS A 38 89.349 4.002 -5.506 1.00 1.00 H new ATOM 0 HB2 CYS A 38 86.448 3.649 -5.834 1.00 1.00 H new ATOM 0 HB3 CYS A 38 86.988 3.028 -4.286 1.00 1.00 H new ATOM 590 N LYS A 39 90.099 1.844 -4.492 1.00 1.00 N ATOM 591 CA LYS A 39 90.554 0.546 -3.918 1.00 1.00 C ATOM 592 C LYS A 39 91.765 0.788 -3.011 1.00 1.00 C ATOM 593 O LYS A 39 92.028 1.899 -2.598 1.00 1.00 O ATOM 594 CB LYS A 39 90.948 -0.405 -5.057 1.00 1.00 C ATOM 595 CG LYS A 39 91.058 -1.835 -4.525 1.00 1.00 C ATOM 596 CD LYS A 39 90.233 -2.774 -5.408 1.00 1.00 C ATOM 597 CE LYS A 39 88.756 -2.669 -5.025 1.00 1.00 C ATOM 598 NZ LYS A 39 87.961 -3.623 -5.848 1.00 1.00 N ATOM 0 H LYS A 39 90.709 2.639 -4.303 1.00 1.00 H new ATOM 0 HA LYS A 39 89.747 0.101 -3.336 1.00 1.00 H new ATOM 0 HB2 LYS A 39 90.205 -0.360 -5.854 1.00 1.00 H new ATOM 0 HB3 LYS A 39 91.899 -0.094 -5.490 1.00 1.00 H new ATOM 0 HG2 LYS A 39 92.101 -2.151 -4.515 1.00 1.00 H new ATOM 0 HG3 LYS A 39 90.701 -1.880 -3.496 1.00 1.00 H new ATOM 0 HD2 LYS A 39 90.367 -2.514 -6.458 1.00 1.00 H new ATOM 0 HD3 LYS A 39 90.579 -3.801 -5.288 1.00 1.00 H new ATOM 0 HE2 LYS A 39 88.627 -2.891 -3.966 1.00 1.00 H new ATOM 0 HE3 LYS A 39 88.400 -1.651 -5.183 1.00 1.00 H new ATOM 0 HZ1 LYS A 39 86.956 -3.552 -5.588 1.00 1.00 H new ATOM 0 HZ2 LYS A 39 88.075 -3.391 -6.855 1.00 1.00 H new ATOM 0 HZ3 LYS A 39 88.296 -4.593 -5.676 1.00 1.00 H new ATOM 612 N SER A 40 92.504 -0.245 -2.704 1.00 1.00 N ATOM 613 CA SER A 40 93.704 -0.083 -1.830 1.00 1.00 C ATOM 614 C SER A 40 93.276 0.042 -0.364 1.00 1.00 C ATOM 615 O SER A 40 93.904 -0.504 0.521 1.00 1.00 O ATOM 616 CB SER A 40 94.482 1.168 -2.250 1.00 1.00 C ATOM 617 OG SER A 40 95.870 0.946 -2.045 1.00 1.00 O ATOM 0 H SER A 40 92.328 -1.198 -3.022 1.00 1.00 H new ATOM 0 HA SER A 40 94.342 -0.960 -1.938 1.00 1.00 H new ATOM 0 HB2 SER A 40 94.289 1.396 -3.298 1.00 1.00 H new ATOM 0 HB3 SER A 40 94.150 2.029 -1.670 1.00 1.00 H new ATOM 0 HG SER A 40 96.372 1.743 -2.314 1.00 1.00 H new ATOM 623 N LYS A 41 92.219 0.760 -0.094 1.00 1.00 N ATOM 624 CA LYS A 41 91.773 0.913 1.321 1.00 1.00 C ATOM 625 C LYS A 41 91.682 -0.475 1.977 1.00 1.00 C ATOM 626 O LYS A 41 91.129 -1.395 1.408 1.00 1.00 O ATOM 627 CB LYS A 41 90.406 1.631 1.353 1.00 1.00 C ATOM 628 CG LYS A 41 89.279 0.602 1.463 1.00 1.00 C ATOM 629 CD LYS A 41 89.202 -0.212 0.170 1.00 1.00 C ATOM 630 CE LYS A 41 88.123 0.375 -0.741 1.00 1.00 C ATOM 631 NZ LYS A 41 87.936 -0.510 -1.925 1.00 1.00 N ATOM 0 H LYS A 41 91.648 1.244 -0.787 1.00 1.00 H new ATOM 0 HA LYS A 41 92.491 1.514 1.879 1.00 1.00 H new ATOM 0 HB2 LYS A 41 90.366 2.318 2.198 1.00 1.00 H new ATOM 0 HB3 LYS A 41 90.278 2.228 0.450 1.00 1.00 H new ATOM 0 HG2 LYS A 41 89.457 -0.059 2.311 1.00 1.00 H new ATOM 0 HG3 LYS A 41 88.329 1.105 1.645 1.00 1.00 H new ATOM 0 HD2 LYS A 41 90.167 -0.200 -0.337 1.00 1.00 H new ATOM 0 HD3 LYS A 41 88.974 -1.253 0.397 1.00 1.00 H new ATOM 0 HE2 LYS A 41 87.185 0.473 -0.195 1.00 1.00 H new ATOM 0 HE3 LYS A 41 88.410 1.376 -1.064 1.00 1.00 H new ATOM 0 HZ1 LYS A 41 87.838 0.072 -2.781 1.00 1.00 H new ATOM 0 HZ2 LYS A 41 88.761 -1.136 -2.024 1.00 1.00 H new ATOM 0 HZ3 LYS A 41 87.079 -1.085 -1.797 1.00 1.00 H new ATOM 645 N PRO A 42 92.220 -0.634 3.165 1.00 1.00 N ATOM 646 CA PRO A 42 92.185 -1.941 3.885 1.00 1.00 C ATOM 647 C PRO A 42 90.804 -2.229 4.497 1.00 1.00 C ATOM 648 O PRO A 42 90.073 -1.320 4.834 1.00 1.00 O ATOM 649 CB PRO A 42 93.232 -1.767 4.988 1.00 1.00 C ATOM 650 CG PRO A 42 93.254 -0.300 5.267 1.00 1.00 C ATOM 651 CD PRO A 42 92.913 0.402 3.948 1.00 1.00 C ATOM 0 HA PRO A 42 92.385 -2.781 3.219 1.00 1.00 H new ATOM 0 HB2 PRO A 42 92.965 -2.335 5.879 1.00 1.00 H new ATOM 0 HB3 PRO A 42 94.210 -2.123 4.664 1.00 1.00 H new ATOM 0 HG2 PRO A 42 92.531 -0.042 6.041 1.00 1.00 H new ATOM 0 HG3 PRO A 42 94.234 0.011 5.629 1.00 1.00 H new ATOM 0 HD2 PRO A 42 92.277 1.272 4.111 1.00 1.00 H new ATOM 0 HD3 PRO A 42 93.810 0.754 3.439 1.00 1.00 H new ATOM 659 N PRO A 43 90.452 -3.483 4.646 1.00 1.00 N ATOM 660 CA PRO A 43 89.144 -3.888 5.232 1.00 1.00 C ATOM 661 C PRO A 43 89.175 -3.927 6.765 1.00 1.00 C ATOM 662 O PRO A 43 90.204 -4.155 7.370 1.00 1.00 O ATOM 663 CB PRO A 43 88.944 -5.293 4.672 1.00 1.00 C ATOM 664 CG PRO A 43 90.326 -5.847 4.551 1.00 1.00 C ATOM 665 CD PRO A 43 91.256 -4.659 4.272 1.00 1.00 C ATOM 0 HA PRO A 43 88.347 -3.187 4.984 1.00 1.00 H new ATOM 0 HB2 PRO A 43 88.329 -5.901 5.336 1.00 1.00 H new ATOM 0 HB3 PRO A 43 88.441 -5.267 3.706 1.00 1.00 H new ATOM 0 HG2 PRO A 43 90.618 -6.360 5.467 1.00 1.00 H new ATOM 0 HG3 PRO A 43 90.380 -6.578 3.745 1.00 1.00 H new ATOM 0 HD2 PRO A 43 92.171 -4.721 4.861 1.00 1.00 H new ATOM 0 HD3 PRO A 43 91.554 -4.622 3.224 1.00 1.00 H new ATOM 673 N LYS A 44 88.050 -3.722 7.395 1.00 1.00 N ATOM 674 CA LYS A 44 88.008 -3.762 8.885 1.00 1.00 C ATOM 675 C LYS A 44 89.062 -2.812 9.464 1.00 1.00 C ATOM 676 O LYS A 44 89.840 -3.182 10.320 1.00 1.00 O ATOM 677 CB LYS A 44 88.295 -5.194 9.356 1.00 1.00 C ATOM 678 CG LYS A 44 87.556 -5.463 10.668 1.00 1.00 C ATOM 679 CD LYS A 44 86.127 -5.918 10.366 1.00 1.00 C ATOM 680 CE LYS A 44 86.138 -7.386 9.937 1.00 1.00 C ATOM 681 NZ LYS A 44 84.800 -7.989 10.195 1.00 1.00 N ATOM 0 H LYS A 44 87.157 -3.528 6.942 1.00 1.00 H new ATOM 0 HA LYS A 44 87.022 -3.449 9.228 1.00 1.00 H new ATOM 0 HB2 LYS A 44 87.978 -5.908 8.596 1.00 1.00 H new ATOM 0 HB3 LYS A 44 89.367 -5.333 9.496 1.00 1.00 H new ATOM 0 HG2 LYS A 44 88.079 -6.228 11.242 1.00 1.00 H new ATOM 0 HG3 LYS A 44 87.540 -4.561 11.280 1.00 1.00 H new ATOM 0 HD2 LYS A 44 85.500 -5.791 11.248 1.00 1.00 H new ATOM 0 HD3 LYS A 44 85.697 -5.301 9.577 1.00 1.00 H new ATOM 0 HE2 LYS A 44 86.386 -7.465 8.879 1.00 1.00 H new ATOM 0 HE3 LYS A 44 86.906 -7.931 10.486 1.00 1.00 H new ATOM 0 HZ1 LYS A 44 84.807 -8.987 9.903 1.00 1.00 H new ATOM 0 HZ2 LYS A 44 84.581 -7.926 11.210 1.00 1.00 H new ATOM 0 HZ3 LYS A 44 84.077 -7.475 9.652 1.00 1.00 H new ATOM 695 N LYS A 45 89.091 -1.592 9.009 1.00 1.00 N ATOM 696 CA LYS A 45 90.093 -0.625 9.541 1.00 1.00 C ATOM 697 C LYS A 45 89.789 0.776 9.004 1.00 1.00 C ATOM 698 O LYS A 45 90.292 1.764 9.502 1.00 1.00 O ATOM 699 CB LYS A 45 91.498 -1.053 9.099 1.00 1.00 C ATOM 700 CG LYS A 45 92.537 -0.479 10.064 1.00 1.00 C ATOM 701 CD LYS A 45 92.743 -1.449 11.229 1.00 1.00 C ATOM 702 CE LYS A 45 93.741 -0.850 12.222 1.00 1.00 C ATOM 703 NZ LYS A 45 94.214 -1.913 13.153 1.00 1.00 N ATOM 0 H LYS A 45 88.466 -1.222 8.293 1.00 1.00 H new ATOM 0 HA LYS A 45 90.044 -0.611 10.630 1.00 1.00 H new ATOM 0 HB2 LYS A 45 91.568 -2.141 9.078 1.00 1.00 H new ATOM 0 HB3 LYS A 45 91.694 -0.701 8.086 1.00 1.00 H new ATOM 0 HG2 LYS A 45 93.480 -0.314 9.543 1.00 1.00 H new ATOM 0 HG3 LYS A 45 92.205 0.490 10.438 1.00 1.00 H new ATOM 0 HD2 LYS A 45 91.793 -1.645 11.726 1.00 1.00 H new ATOM 0 HD3 LYS A 45 93.112 -2.406 10.859 1.00 1.00 H new ATOM 0 HE2 LYS A 45 94.587 -0.417 11.688 1.00 1.00 H new ATOM 0 HE3 LYS A 45 93.271 -0.042 12.784 1.00 1.00 H new ATOM 0 HZ1 LYS A 45 94.892 -1.506 13.828 1.00 1.00 H new ATOM 0 HZ2 LYS A 45 93.403 -2.306 13.672 1.00 1.00 H new ATOM 0 HZ3 LYS A 45 94.677 -2.669 12.610 1.00 1.00 H new ATOM 717 N GLY A 46 88.971 0.870 7.991 1.00 1.00 N ATOM 718 CA GLY A 46 88.635 2.207 7.421 1.00 1.00 C ATOM 719 C GLY A 46 87.346 2.730 8.059 1.00 1.00 C ATOM 720 O GLY A 46 87.186 2.712 9.263 1.00 1.00 O ATOM 0 H GLY A 46 88.520 0.078 7.533 1.00 1.00 H new ATOM 0 HA2 GLY A 46 89.452 2.906 7.602 1.00 1.00 H new ATOM 0 HA3 GLY A 46 88.513 2.132 6.340 1.00 1.00 H new ATOM 724 N VAL A 47 86.427 3.196 7.259 1.00 1.00 N ATOM 725 CA VAL A 47 85.147 3.722 7.814 1.00 1.00 C ATOM 726 C VAL A 47 85.445 4.752 8.904 1.00 1.00 C ATOM 727 O VAL A 47 85.629 4.417 10.058 1.00 1.00 O ATOM 728 CB VAL A 47 84.333 2.569 8.403 1.00 1.00 C ATOM 729 CG1 VAL A 47 83.130 3.129 9.164 1.00 1.00 C ATOM 730 CG2 VAL A 47 83.842 1.663 7.272 1.00 1.00 C ATOM 0 H VAL A 47 86.507 3.235 6.243 1.00 1.00 H new ATOM 0 HA VAL A 47 84.575 4.197 7.017 1.00 1.00 H new ATOM 0 HB VAL A 47 84.959 1.994 9.085 1.00 1.00 H new ATOM 0 HG11 VAL A 47 82.550 2.307 9.584 1.00 1.00 H new ATOM 0 HG12 VAL A 47 83.478 3.776 9.969 1.00 1.00 H new ATOM 0 HG13 VAL A 47 82.504 3.704 8.482 1.00 1.00 H new ATOM 0 HG21 VAL A 47 83.262 0.841 7.690 1.00 1.00 H new ATOM 0 HG22 VAL A 47 83.216 2.239 6.590 1.00 1.00 H new ATOM 0 HG23 VAL A 47 84.698 1.263 6.728 1.00 1.00 H new ATOM 740 N GLN A 48 85.488 6.005 8.545 1.00 1.00 N ATOM 741 CA GLN A 48 85.768 7.066 9.554 1.00 1.00 C ATOM 742 C GLN A 48 85.711 8.438 8.877 1.00 1.00 C ATOM 743 O GLN A 48 85.822 9.463 9.519 1.00 1.00 O ATOM 744 CB GLN A 48 87.159 6.853 10.158 1.00 1.00 C ATOM 745 CG GLN A 48 88.167 6.583 9.039 1.00 1.00 C ATOM 746 CD GLN A 48 89.588 6.743 9.582 1.00 1.00 C ATOM 747 OE1 GLN A 48 89.796 7.382 10.595 1.00 1.00 O ATOM 748 NE2 GLN A 48 90.583 6.186 8.947 1.00 1.00 N ATOM 0 H GLN A 48 85.341 6.341 7.593 1.00 1.00 H new ATOM 0 HA GLN A 48 85.021 7.016 10.346 1.00 1.00 H new ATOM 0 HB2 GLN A 48 87.459 7.733 10.727 1.00 1.00 H new ATOM 0 HB3 GLN A 48 87.140 6.015 10.854 1.00 1.00 H new ATOM 0 HG2 GLN A 48 88.028 5.576 8.645 1.00 1.00 H new ATOM 0 HG3 GLN A 48 88.002 7.274 8.212 1.00 1.00 H new ATOM 0 HE21 GLN A 48 90.409 5.650 8.097 1.00 1.00 H new ATOM 0 HE22 GLN A 48 91.534 6.287 9.301 1.00 1.00 H new ATOM 757 N GLY A 49 85.538 8.465 7.583 1.00 1.00 N ATOM 758 CA GLY A 49 85.473 9.770 6.866 1.00 1.00 C ATOM 759 C GLY A 49 85.434 9.524 5.357 1.00 1.00 C ATOM 760 O GLY A 49 86.447 9.289 4.730 1.00 1.00 O ATOM 0 H GLY A 49 85.439 7.640 6.992 1.00 1.00 H new ATOM 0 HA2 GLY A 49 84.587 10.324 7.177 1.00 1.00 H new ATOM 0 HA3 GLY A 49 86.338 10.381 7.123 1.00 1.00 H new ATOM 764 N CYS A 50 84.270 9.578 4.767 1.00 1.00 N ATOM 765 CA CYS A 50 84.168 9.349 3.298 1.00 1.00 C ATOM 766 C CYS A 50 84.961 10.428 2.557 1.00 1.00 C ATOM 767 O CYS A 50 86.025 10.832 2.984 1.00 1.00 O ATOM 768 CB CYS A 50 82.699 9.411 2.874 1.00 1.00 C ATOM 769 SG CYS A 50 81.794 8.038 3.630 1.00 1.00 S ATOM 0 H CYS A 50 83.386 9.771 5.239 1.00 1.00 H new ATOM 0 HA CYS A 50 84.575 8.368 3.053 1.00 1.00 H new ATOM 0 HB2 CYS A 50 82.261 10.361 3.180 1.00 1.00 H new ATOM 0 HB3 CYS A 50 82.620 9.358 1.788 1.00 1.00 H new ATOM 774 N GLY A 51 84.455 10.898 1.450 1.00 1.00 N ATOM 775 CA GLY A 51 85.183 11.950 0.685 1.00 1.00 C ATOM 776 C GLY A 51 84.204 12.686 -0.231 1.00 1.00 C ATOM 777 O GLY A 51 84.512 12.992 -1.366 1.00 1.00 O ATOM 0 H GLY A 51 83.569 10.599 1.042 1.00 1.00 H new ATOM 0 HA2 GLY A 51 85.654 12.654 1.372 1.00 1.00 H new ATOM 0 HA3 GLY A 51 85.980 11.499 0.095 1.00 1.00 H new ATOM 781 N ASP A 52 83.027 12.973 0.253 1.00 1.00 N ATOM 782 CA ASP A 52 82.028 13.690 -0.590 1.00 1.00 C ATOM 783 C ASP A 52 81.790 12.905 -1.882 1.00 1.00 C ATOM 784 O ASP A 52 81.570 11.711 -1.861 1.00 1.00 O ATOM 785 CB ASP A 52 82.556 15.085 -0.930 1.00 1.00 C ATOM 786 CG ASP A 52 81.415 15.942 -1.482 1.00 1.00 C ATOM 787 OD1 ASP A 52 80.412 15.373 -1.880 1.00 1.00 O ATOM 788 OD2 ASP A 52 81.564 17.153 -1.496 1.00 1.00 O ATOM 0 H ASP A 52 82.713 12.742 1.196 1.00 1.00 H new ATOM 0 HA ASP A 52 81.089 13.780 -0.043 1.00 1.00 H new ATOM 0 HB2 ASP A 52 82.978 15.552 -0.040 1.00 1.00 H new ATOM 0 HB3 ASP A 52 83.359 15.013 -1.664 1.00 1.00 H new ATOM 793 N ASP A 53 81.832 13.570 -3.005 1.00 1.00 N ATOM 794 CA ASP A 53 81.608 12.871 -4.304 1.00 1.00 C ATOM 795 C ASP A 53 80.201 12.271 -4.328 1.00 1.00 C ATOM 796 O ASP A 53 79.997 11.165 -4.789 1.00 1.00 O ATOM 797 CB ASP A 53 82.643 11.755 -4.479 1.00 1.00 C ATOM 798 CG ASP A 53 84.030 12.280 -4.104 1.00 1.00 C ATOM 799 OD1 ASP A 53 84.115 13.418 -3.672 1.00 1.00 O ATOM 800 OD2 ASP A 53 84.984 11.534 -4.255 1.00 1.00 O ATOM 0 H ASP A 53 82.012 14.571 -3.079 1.00 1.00 H new ATOM 0 HA ASP A 53 81.711 13.588 -5.118 1.00 1.00 H new ATOM 0 HB2 ASP A 53 82.384 10.903 -3.851 1.00 1.00 H new ATOM 0 HB3 ASP A 53 82.643 11.403 -5.511 1.00 1.00 H new ATOM 805 N ILE A 54 79.226 12.994 -3.838 1.00 1.00 N ATOM 806 CA ILE A 54 77.825 12.473 -3.834 1.00 1.00 C ATOM 807 C ILE A 54 76.910 13.482 -4.534 1.00 1.00 C ATOM 808 O ILE A 54 76.209 14.240 -3.893 1.00 1.00 O ATOM 809 CB ILE A 54 77.349 12.287 -2.389 1.00 1.00 C ATOM 810 CG1 ILE A 54 78.330 11.380 -1.643 1.00 1.00 C ATOM 811 CG2 ILE A 54 75.960 11.645 -2.387 1.00 1.00 C ATOM 812 CD1 ILE A 54 78.512 11.891 -0.213 1.00 1.00 C ATOM 0 H ILE A 54 79.340 13.926 -3.439 1.00 1.00 H new ATOM 0 HA ILE A 54 77.793 11.516 -4.355 1.00 1.00 H new ATOM 0 HB ILE A 54 77.301 13.257 -1.895 1.00 1.00 H new ATOM 0 HG12 ILE A 54 77.957 10.356 -1.630 1.00 1.00 H new ATOM 0 HG13 ILE A 54 79.290 11.363 -2.159 1.00 1.00 H new ATOM 0 HG21 ILE A 54 75.622 11.513 -1.359 1.00 1.00 H new ATOM 0 HG22 ILE A 54 75.260 12.290 -2.919 1.00 1.00 H new ATOM 0 HG23 ILE A 54 76.007 10.675 -2.881 1.00 1.00 H new ATOM 0 HD11 ILE A 54 79.211 11.245 0.318 1.00 1.00 H new ATOM 0 HD12 ILE A 54 78.904 12.908 -0.237 1.00 1.00 H new ATOM 0 HD13 ILE A 54 77.551 11.885 0.301 1.00 1.00 H new ATOM 824 N PRO A 55 76.915 13.490 -5.841 1.00 1.00 N ATOM 825 CA PRO A 55 76.073 14.416 -6.644 1.00 1.00 C ATOM 826 C PRO A 55 74.653 13.878 -6.840 1.00 1.00 C ATOM 827 O PRO A 55 73.820 14.507 -7.463 1.00 1.00 O ATOM 828 CB PRO A 55 76.815 14.485 -7.978 1.00 1.00 C ATOM 829 CG PRO A 55 77.483 13.155 -8.119 1.00 1.00 C ATOM 830 CD PRO A 55 77.729 12.619 -6.704 1.00 1.00 C ATOM 0 HA PRO A 55 75.943 15.385 -6.163 1.00 1.00 H new ATOM 0 HB2 PRO A 55 76.127 14.671 -8.803 1.00 1.00 H new ATOM 0 HB3 PRO A 55 77.544 15.295 -7.983 1.00 1.00 H new ATOM 0 HG2 PRO A 55 76.856 12.468 -8.687 1.00 1.00 H new ATOM 0 HG3 PRO A 55 78.423 13.252 -8.662 1.00 1.00 H new ATOM 0 HD2 PRO A 55 77.426 11.576 -6.615 1.00 1.00 H new ATOM 0 HD3 PRO A 55 78.785 12.669 -6.437 1.00 1.00 H new ATOM 838 N GLY A 56 74.372 12.718 -6.313 1.00 1.00 N ATOM 839 CA GLY A 56 73.009 12.138 -6.468 1.00 1.00 C ATOM 840 C GLY A 56 71.958 13.202 -6.147 1.00 1.00 C ATOM 841 O GLY A 56 71.491 13.904 -7.017 1.00 1.00 O ATOM 0 H GLY A 56 75.029 12.147 -5.781 1.00 1.00 H new ATOM 0 HA2 GLY A 56 72.872 11.773 -7.486 1.00 1.00 H new ATOM 0 HA3 GLY A 56 72.889 11.282 -5.803 1.00 1.00 H new ATOM 845 N MET A 57 71.586 13.322 -4.901 1.00 1.00 N ATOM 846 CA MET A 57 70.563 14.338 -4.510 1.00 1.00 C ATOM 847 C MET A 57 69.314 14.188 -5.391 1.00 1.00 C ATOM 848 O MET A 57 68.372 14.945 -5.281 1.00 1.00 O ATOM 849 CB MET A 57 71.174 15.754 -4.632 1.00 1.00 C ATOM 850 CG MET A 57 70.653 16.442 -5.895 1.00 1.00 C ATOM 851 SD MET A 57 69.168 17.397 -5.493 1.00 1.00 S ATOM 852 CE MET A 57 68.630 17.706 -7.193 1.00 1.00 C ATOM 0 H MET A 57 71.948 12.758 -4.132 1.00 1.00 H new ATOM 0 HA MET A 57 70.261 14.182 -3.474 1.00 1.00 H new ATOM 0 HB2 MET A 57 70.918 16.346 -3.753 1.00 1.00 H new ATOM 0 HB3 MET A 57 72.261 15.688 -4.666 1.00 1.00 H new ATOM 0 HG2 MET A 57 71.420 17.098 -6.307 1.00 1.00 H new ATOM 0 HG3 MET A 57 70.425 15.699 -6.659 1.00 1.00 H new ATOM 0 HE1 MET A 57 67.711 18.292 -7.183 1.00 1.00 H new ATOM 0 HE2 MET A 57 69.406 18.256 -7.726 1.00 1.00 H new ATOM 0 HE3 MET A 57 68.449 16.756 -7.696 1.00 1.00 H new ATOM 862 N GLU A 58 69.297 13.211 -6.261 1.00 1.00 N ATOM 863 CA GLU A 58 68.108 13.015 -7.142 1.00 1.00 C ATOM 864 C GLU A 58 67.157 11.996 -6.506 1.00 1.00 C ATOM 865 O GLU A 58 66.728 12.151 -5.380 1.00 1.00 O ATOM 866 CB GLU A 58 68.559 12.499 -8.514 1.00 1.00 C ATOM 867 CG GLU A 58 69.383 13.575 -9.224 1.00 1.00 C ATOM 868 CD GLU A 58 69.196 13.446 -10.737 1.00 1.00 C ATOM 869 OE1 GLU A 58 69.017 12.332 -11.199 1.00 1.00 O ATOM 870 OE2 GLU A 58 69.236 14.465 -11.407 1.00 1.00 O ATOM 0 H GLU A 58 70.054 12.542 -6.399 1.00 1.00 H new ATOM 0 HA GLU A 58 67.593 13.968 -7.263 1.00 1.00 H new ATOM 0 HB2 GLU A 58 69.152 11.592 -8.395 1.00 1.00 H new ATOM 0 HB3 GLU A 58 67.691 12.235 -9.117 1.00 1.00 H new ATOM 0 HG2 GLU A 58 69.071 14.565 -8.892 1.00 1.00 H new ATOM 0 HG3 GLU A 58 70.437 13.470 -8.967 1.00 1.00 H new ATOM 877 N GLY A 59 66.819 10.959 -7.224 1.00 1.00 N ATOM 878 CA GLY A 59 65.889 9.932 -6.671 1.00 1.00 C ATOM 879 C GLY A 59 66.430 9.393 -5.347 1.00 1.00 C ATOM 880 O GLY A 59 65.818 8.558 -4.712 1.00 1.00 O ATOM 0 H GLY A 59 67.148 10.778 -8.172 1.00 1.00 H new ATOM 0 HA2 GLY A 59 64.902 10.368 -6.519 1.00 1.00 H new ATOM 0 HA3 GLY A 59 65.770 9.116 -7.384 1.00 1.00 H new ATOM 884 N CYS A 60 67.571 9.859 -4.920 1.00 1.00 N ATOM 885 CA CYS A 60 68.140 9.365 -3.635 1.00 1.00 C ATOM 886 C CYS A 60 69.035 10.444 -3.024 1.00 1.00 C ATOM 887 O CYS A 60 68.586 11.525 -2.700 1.00 1.00 O ATOM 888 CB CYS A 60 68.963 8.101 -3.894 1.00 1.00 C ATOM 889 SG CYS A 60 70.046 8.367 -5.320 1.00 1.00 S ATOM 0 H CYS A 60 68.133 10.559 -5.404 1.00 1.00 H new ATOM 0 HA CYS A 60 67.330 9.134 -2.944 1.00 1.00 H new ATOM 0 HB2 CYS A 60 69.557 7.854 -3.014 1.00 1.00 H new ATOM 0 HB3 CYS A 60 68.301 7.255 -4.079 1.00 1.00 H new ATOM 894 N GLY A 61 70.299 10.162 -2.863 1.00 1.00 N ATOM 895 CA GLY A 61 71.215 11.176 -2.271 1.00 1.00 C ATOM 896 C GLY A 61 70.831 11.418 -0.811 1.00 1.00 C ATOM 897 O GLY A 61 71.541 11.038 0.099 1.00 1.00 O ATOM 0 H GLY A 61 70.736 9.275 -3.115 1.00 1.00 H new ATOM 0 HA2 GLY A 61 72.247 10.831 -2.334 1.00 1.00 H new ATOM 0 HA3 GLY A 61 71.156 12.108 -2.833 1.00 1.00 H new ATOM 901 N THR A 62 69.710 12.045 -0.578 1.00 1.00 N ATOM 902 CA THR A 62 69.284 12.306 0.825 1.00 1.00 C ATOM 903 C THR A 62 69.254 10.985 1.597 1.00 1.00 C ATOM 904 O THR A 62 69.618 10.923 2.754 1.00 1.00 O ATOM 905 CB THR A 62 67.888 12.936 0.830 1.00 1.00 C ATOM 906 OG1 THR A 62 67.272 12.707 2.089 1.00 1.00 O ATOM 907 CG2 THR A 62 67.039 12.309 -0.277 1.00 1.00 C ATOM 0 H THR A 62 69.073 12.387 -1.297 1.00 1.00 H new ATOM 0 HA THR A 62 69.988 12.990 1.299 1.00 1.00 H new ATOM 0 HB THR A 62 67.972 14.009 0.656 1.00 1.00 H new ATOM 0 HG1 THR A 62 66.379 13.111 2.095 1.00 1.00 H new ATOM 0 HG21 THR A 62 66.046 12.758 -0.272 1.00 1.00 H new ATOM 0 HG22 THR A 62 67.513 12.485 -1.243 1.00 1.00 H new ATOM 0 HG23 THR A 62 66.953 11.236 -0.106 1.00 1.00 H new ATOM 915 N ASP A 63 68.828 9.927 0.963 1.00 1.00 N ATOM 916 CA ASP A 63 68.782 8.611 1.660 1.00 1.00 C ATOM 917 C ASP A 63 70.209 8.106 1.891 1.00 1.00 C ATOM 918 O ASP A 63 70.476 6.922 1.824 1.00 1.00 O ATOM 919 CB ASP A 63 68.019 7.604 0.796 1.00 1.00 C ATOM 920 CG ASP A 63 66.542 7.999 0.734 1.00 1.00 C ATOM 921 OD1 ASP A 63 65.851 7.788 1.717 1.00 1.00 O ATOM 922 OD2 ASP A 63 66.128 8.507 -0.295 1.00 1.00 O ATOM 0 H ASP A 63 68.510 9.917 -0.006 1.00 1.00 H new ATOM 0 HA ASP A 63 68.277 8.725 2.619 1.00 1.00 H new ATOM 0 HB2 ASP A 63 68.441 7.577 -0.208 1.00 1.00 H new ATOM 0 HB3 ASP A 63 68.121 6.602 1.212 1.00 1.00 H new ATOM 927 N ILE A 64 71.130 8.994 2.160 1.00 1.00 N ATOM 928 CA ILE A 64 72.540 8.566 2.393 1.00 1.00 C ATOM 929 C ILE A 64 73.155 9.418 3.506 1.00 1.00 C ATOM 930 O ILE A 64 73.938 8.942 4.304 1.00 1.00 O ATOM 931 CB ILE A 64 73.346 8.752 1.107 1.00 1.00 C ATOM 932 CG1 ILE A 64 72.580 8.139 -0.067 1.00 1.00 C ATOM 933 CG2 ILE A 64 74.701 8.057 1.248 1.00 1.00 C ATOM 934 CD1 ILE A 64 73.430 8.229 -1.335 1.00 1.00 C ATOM 0 H ILE A 64 70.966 9.998 2.228 1.00 1.00 H new ATOM 0 HA ILE A 64 72.558 7.516 2.687 1.00 1.00 H new ATOM 0 HB ILE A 64 73.500 9.816 0.926 1.00 1.00 H new ATOM 0 HG12 ILE A 64 72.337 7.098 0.147 1.00 1.00 H new ATOM 0 HG13 ILE A 64 71.635 8.663 -0.212 1.00 1.00 H new ATOM 0 HG21 ILE A 64 75.275 8.190 0.331 1.00 1.00 H new ATOM 0 HG22 ILE A 64 75.248 8.492 2.085 1.00 1.00 H new ATOM 0 HG23 ILE A 64 74.547 6.993 1.429 1.00 1.00 H new ATOM 0 HD11 ILE A 64 72.884 7.792 -2.171 1.00 1.00 H new ATOM 0 HD12 ILE A 64 73.650 9.274 -1.552 1.00 1.00 H new ATOM 0 HD13 ILE A 64 74.363 7.685 -1.187 1.00 1.00 H new ATOM 946 N THR A 65 72.809 10.676 3.566 1.00 1.00 N ATOM 947 CA THR A 65 73.377 11.557 4.628 1.00 1.00 C ATOM 948 C THR A 65 72.495 11.492 5.878 1.00 1.00 C ATOM 949 O THR A 65 72.983 11.459 6.990 1.00 1.00 O ATOM 950 CB THR A 65 73.433 12.999 4.121 1.00 1.00 C ATOM 951 OG1 THR A 65 74.231 13.055 2.947 1.00 1.00 O ATOM 952 CG2 THR A 65 74.042 13.898 5.199 1.00 1.00 C ATOM 0 H THR A 65 72.158 11.132 2.926 1.00 1.00 H new ATOM 0 HA THR A 65 74.383 11.218 4.876 1.00 1.00 H new ATOM 0 HB THR A 65 72.425 13.344 3.892 1.00 1.00 H new ATOM 0 HG1 THR A 65 74.267 13.978 2.619 1.00 1.00 H new ATOM 0 HG21 THR A 65 74.081 14.925 4.837 1.00 1.00 H new ATOM 0 HG22 THR A 65 73.428 13.854 6.099 1.00 1.00 H new ATOM 0 HG23 THR A 65 75.051 13.556 5.431 1.00 1.00 H new ATOM 960 N VAL A 66 71.199 11.474 5.706 1.00 1.00 N ATOM 961 CA VAL A 66 70.291 11.413 6.888 1.00 1.00 C ATOM 962 C VAL A 66 69.935 9.953 7.185 1.00 1.00 C ATOM 963 O VAL A 66 69.948 9.524 8.322 1.00 1.00 O ATOM 964 CB VAL A 66 69.013 12.206 6.596 1.00 1.00 C ATOM 965 CG1 VAL A 66 69.257 13.690 6.876 1.00 1.00 C ATOM 966 CG2 VAL A 66 68.625 12.023 5.127 1.00 1.00 C ATOM 0 H VAL A 66 70.731 11.499 4.800 1.00 1.00 H new ATOM 0 HA VAL A 66 70.793 11.846 7.753 1.00 1.00 H new ATOM 0 HB VAL A 66 68.207 11.844 7.234 1.00 1.00 H new ATOM 0 HG11 VAL A 66 68.348 14.254 6.668 1.00 1.00 H new ATOM 0 HG12 VAL A 66 69.535 13.822 7.922 1.00 1.00 H new ATOM 0 HG13 VAL A 66 70.063 14.053 6.238 1.00 1.00 H new ATOM 0 HG21 VAL A 66 67.716 12.587 4.918 1.00 1.00 H new ATOM 0 HG22 VAL A 66 69.432 12.386 4.490 1.00 1.00 H new ATOM 0 HG23 VAL A 66 68.451 10.966 4.926 1.00 1.00 H new ATOM 976 N ILE A 67 69.621 9.183 6.173 1.00 1.00 N ATOM 977 CA ILE A 67 69.269 7.749 6.402 1.00 1.00 C ATOM 978 C ILE A 67 70.012 6.873 5.395 1.00 1.00 C ATOM 979 O ILE A 67 69.545 6.632 4.300 1.00 1.00 O ATOM 980 CB ILE A 67 67.764 7.544 6.226 1.00 1.00 C ATOM 981 CG1 ILE A 67 67.014 8.332 7.302 1.00 1.00 C ATOM 982 CG2 ILE A 67 67.432 6.057 6.360 1.00 1.00 C ATOM 983 CD1 ILE A 67 65.537 8.440 6.920 1.00 1.00 C ATOM 0 H ILE A 67 69.593 9.486 5.199 1.00 1.00 H new ATOM 0 HA ILE A 67 69.556 7.473 7.417 1.00 1.00 H new ATOM 0 HB ILE A 67 67.462 7.896 5.239 1.00 1.00 H new ATOM 0 HG12 ILE A 67 67.115 7.836 8.268 1.00 1.00 H new ATOM 0 HG13 ILE A 67 67.447 9.327 7.407 1.00 1.00 H new ATOM 0 HG21 ILE A 67 66.359 5.911 6.235 1.00 1.00 H new ATOM 0 HG22 ILE A 67 67.967 5.494 5.595 1.00 1.00 H new ATOM 0 HG23 ILE A 67 67.733 5.704 7.346 1.00 1.00 H new ATOM 0 HD11 ILE A 67 65.003 9.001 7.687 1.00 1.00 H new ATOM 0 HD12 ILE A 67 65.445 8.955 5.963 1.00 1.00 H new ATOM 0 HD13 ILE A 67 65.109 7.441 6.837 1.00 1.00 H new ATOM 995 N CYS A 68 71.163 6.388 5.764 1.00 1.00 N ATOM 996 CA CYS A 68 71.941 5.518 4.838 1.00 1.00 C ATOM 997 C CYS A 68 71.610 4.051 5.134 1.00 1.00 C ATOM 998 O CYS A 68 71.836 3.572 6.227 1.00 1.00 O ATOM 999 CB CYS A 68 73.437 5.765 5.057 1.00 1.00 C ATOM 1000 SG CYS A 68 74.375 4.305 4.542 1.00 1.00 S ATOM 0 H CYS A 68 71.601 6.557 6.670 1.00 1.00 H new ATOM 0 HA CYS A 68 71.684 5.747 3.804 1.00 1.00 H new ATOM 0 HB2 CYS A 68 73.759 6.636 4.487 1.00 1.00 H new ATOM 0 HB3 CYS A 68 73.630 5.982 6.108 1.00 1.00 H new ATOM 1005 N PRO A 69 71.069 3.329 4.175 1.00 1.00 N ATOM 1006 CA PRO A 69 70.709 1.900 4.368 1.00 1.00 C ATOM 1007 C PRO A 69 71.737 1.156 5.222 1.00 1.00 C ATOM 1008 O PRO A 69 71.457 0.115 5.782 1.00 1.00 O ATOM 1009 CB PRO A 69 70.678 1.357 2.943 1.00 1.00 C ATOM 1010 CG PRO A 69 70.232 2.517 2.113 1.00 1.00 C ATOM 1011 CD PRO A 69 70.744 3.784 2.813 1.00 1.00 C ATOM 0 HA PRO A 69 69.767 1.774 4.901 1.00 1.00 H new ATOM 0 HB2 PRO A 69 71.660 1.000 2.632 1.00 1.00 H new ATOM 0 HB3 PRO A 69 69.990 0.516 2.853 1.00 1.00 H new ATOM 0 HG2 PRO A 69 70.632 2.445 1.102 1.00 1.00 H new ATOM 0 HG3 PRO A 69 69.146 2.535 2.026 1.00 1.00 H new ATOM 0 HD2 PRO A 69 71.620 4.193 2.309 1.00 1.00 H new ATOM 0 HD3 PRO A 69 69.987 4.568 2.824 1.00 1.00 H new ATOM 1019 N TRP A 70 72.922 1.692 5.341 1.00 1.00 N ATOM 1020 CA TRP A 70 73.953 1.022 6.177 1.00 1.00 C ATOM 1021 C TRP A 70 73.431 0.930 7.610 1.00 1.00 C ATOM 1022 O TRP A 70 74.070 0.376 8.481 1.00 1.00 O ATOM 1023 CB TRP A 70 75.246 1.841 6.156 1.00 1.00 C ATOM 1024 CG TRP A 70 76.333 1.074 6.839 1.00 1.00 C ATOM 1025 CD1 TRP A 70 76.785 -0.141 6.455 1.00 1.00 C ATOM 1026 CD2 TRP A 70 77.110 1.448 8.015 1.00 1.00 C ATOM 1027 NE1 TRP A 70 77.789 -0.539 7.319 1.00 1.00 N ATOM 1028 CE2 TRP A 70 78.027 0.406 8.297 1.00 1.00 C ATOM 1029 CE3 TRP A 70 77.109 2.575 8.854 1.00 1.00 C ATOM 1030 CZ2 TRP A 70 78.911 0.483 9.376 1.00 1.00 C ATOM 1031 CZ3 TRP A 70 77.996 2.656 9.938 1.00 1.00 C ATOM 1032 CH2 TRP A 70 78.895 1.613 10.199 1.00 1.00 C ATOM 0 HA TRP A 70 74.158 0.025 5.787 1.00 1.00 H new ATOM 0 HB2 TRP A 70 75.533 2.062 5.128 1.00 1.00 H new ATOM 0 HB3 TRP A 70 75.092 2.797 6.656 1.00 1.00 H new ATOM 0 HD1 TRP A 70 76.421 -0.708 5.611 1.00 1.00 H new ATOM 0 HE1 TRP A 70 78.292 -1.423 7.243 1.00 1.00 H new ATOM 0 HE3 TRP A 70 76.420 3.385 8.663 1.00 1.00 H new ATOM 0 HZ2 TRP A 70 79.601 -0.324 9.573 1.00 1.00 H new ATOM 0 HZ3 TRP A 70 77.986 3.528 10.575 1.00 1.00 H new ATOM 0 HH2 TRP A 70 79.575 1.682 11.035 1.00 1.00 H new ATOM 1043 N GLU A 71 72.267 1.475 7.855 1.00 1.00 N ATOM 1044 CA GLU A 71 71.683 1.429 9.226 1.00 1.00 C ATOM 1045 C GLU A 71 70.477 0.488 9.226 1.00 1.00 C ATOM 1046 O GLU A 71 70.396 -0.433 10.014 1.00 1.00 O ATOM 1047 CB GLU A 71 71.238 2.835 9.632 1.00 1.00 C ATOM 1048 CG GLU A 71 72.466 3.734 9.784 1.00 1.00 C ATOM 1049 CD GLU A 71 72.040 5.090 10.352 1.00 1.00 C ATOM 1050 OE1 GLU A 71 71.827 5.167 11.550 1.00 1.00 O ATOM 1051 OE2 GLU A 71 71.934 6.027 9.578 1.00 1.00 O ATOM 0 H GLU A 71 71.694 1.952 7.159 1.00 1.00 H new ATOM 0 HA GLU A 71 72.428 1.066 9.934 1.00 1.00 H new ATOM 0 HB2 GLU A 71 70.564 3.246 8.880 1.00 1.00 H new ATOM 0 HB3 GLU A 71 70.684 2.796 10.570 1.00 1.00 H new ATOM 0 HG2 GLU A 71 73.194 3.264 10.445 1.00 1.00 H new ATOM 0 HG3 GLU A 71 72.953 3.869 8.818 1.00 1.00 H new ATOM 1058 N ALA A 72 69.540 0.710 8.343 1.00 1.00 N ATOM 1059 CA ALA A 72 68.342 -0.175 8.289 1.00 1.00 C ATOM 1060 C ALA A 72 68.767 -1.576 7.842 1.00 1.00 C ATOM 1061 O ALA A 72 68.619 -2.540 8.566 1.00 1.00 O ATOM 1062 CB ALA A 72 67.332 0.394 7.291 1.00 1.00 C ATOM 0 H ALA A 72 69.553 1.465 7.658 1.00 1.00 H new ATOM 0 HA ALA A 72 67.884 -0.230 9.277 1.00 1.00 H new ATOM 0 HB1 ALA A 72 66.456 -0.253 7.251 1.00 1.00 H new ATOM 0 HB2 ALA A 72 67.031 1.393 7.607 1.00 1.00 H new ATOM 0 HB3 ALA A 72 67.788 0.448 6.303 1.00 1.00 H new ATOM 1068 N CYS A 73 69.301 -1.695 6.655 1.00 1.00 N ATOM 1069 CA CYS A 73 69.741 -3.032 6.166 1.00 1.00 C ATOM 1070 C CYS A 73 70.997 -3.460 6.926 1.00 1.00 C ATOM 1071 O CYS A 73 71.994 -3.830 6.338 1.00 1.00 O ATOM 1072 CB CYS A 73 70.055 -2.953 4.671 1.00 1.00 C ATOM 1073 SG CYS A 73 68.522 -2.689 3.745 1.00 1.00 S ATOM 0 H CYS A 73 69.451 -0.924 6.004 1.00 1.00 H new ATOM 0 HA CYS A 73 68.946 -3.759 6.331 1.00 1.00 H new ATOM 0 HB2 CYS A 73 70.754 -2.139 4.478 1.00 1.00 H new ATOM 0 HB3 CYS A 73 70.538 -3.873 4.341 1.00 1.00 H new ATOM 1078 N ASN A 74 70.959 -3.405 8.229 1.00 1.00 N ATOM 1079 CA ASN A 74 72.152 -3.799 9.029 1.00 1.00 C ATOM 1080 C ASN A 74 73.279 -2.795 8.776 1.00 1.00 C ATOM 1081 O ASN A 74 73.046 -1.697 8.313 1.00 1.00 O ATOM 1082 CB ASN A 74 72.606 -5.204 8.623 1.00 1.00 C ATOM 1083 CG ASN A 74 71.385 -6.047 8.250 1.00 1.00 C ATOM 1084 OD1 ASN A 74 71.315 -6.589 7.165 1.00 1.00 O ATOM 1085 ND2 ASN A 74 70.413 -6.181 9.110 1.00 1.00 N ATOM 0 H ASN A 74 70.152 -3.104 8.775 1.00 1.00 H new ATOM 0 HA ASN A 74 71.898 -3.802 10.089 1.00 1.00 H new ATOM 0 HB2 ASN A 74 73.293 -5.146 7.779 1.00 1.00 H new ATOM 0 HB3 ASN A 74 73.149 -5.674 9.443 1.00 1.00 H new ATOM 0 HD21 ASN A 74 69.594 -6.741 8.871 1.00 1.00 H new ATOM 0 HD22 ASN A 74 70.472 -5.726 10.021 1.00 1.00 H new ATOM 1092 N HIS A 75 74.497 -3.158 9.078 1.00 1.00 N ATOM 1093 CA HIS A 75 75.634 -2.215 8.855 1.00 1.00 C ATOM 1094 C HIS A 75 76.881 -3.002 8.426 1.00 1.00 C ATOM 1095 O HIS A 75 77.916 -2.939 9.058 1.00 1.00 O ATOM 1096 CB HIS A 75 75.916 -1.434 10.153 1.00 1.00 C ATOM 1097 CG HIS A 75 75.112 -2.025 11.278 1.00 1.00 C ATOM 1098 ND1 HIS A 75 73.738 -1.860 11.370 1.00 1.00 N ATOM 1099 CD2 HIS A 75 75.473 -2.782 12.366 1.00 1.00 C ATOM 1100 CE1 HIS A 75 73.324 -2.503 12.477 1.00 1.00 C ATOM 1101 NE2 HIS A 75 74.342 -3.080 13.119 1.00 1.00 N ATOM 0 H HIS A 75 74.755 -4.064 9.469 1.00 1.00 H new ATOM 0 HA HIS A 75 75.375 -1.509 8.066 1.00 1.00 H new ATOM 0 HB2 HIS A 75 76.979 -1.475 10.391 1.00 1.00 H new ATOM 0 HB3 HIS A 75 75.659 -0.383 10.021 1.00 1.00 H new ATOM 0 HD2 HIS A 75 76.479 -3.097 12.600 1.00 1.00 H new ATOM 0 HE1 HIS A 75 72.296 -2.547 12.805 1.00 1.00 H new ATOM 0 HE2 HIS A 75 74.300 -3.625 13.980 1.00 1.00 H new ATOM 1110 N CYS A 76 76.788 -3.738 7.347 1.00 1.00 N ATOM 1111 CA CYS A 76 77.964 -4.524 6.870 1.00 1.00 C ATOM 1112 C CYS A 76 78.693 -5.135 8.066 1.00 1.00 C ATOM 1113 O CYS A 76 79.900 -5.052 8.179 1.00 1.00 O ATOM 1114 CB CYS A 76 78.919 -3.602 6.110 1.00 1.00 C ATOM 1115 SG CYS A 76 78.067 -2.902 4.674 1.00 1.00 S ATOM 0 H CYS A 76 75.947 -3.828 6.776 1.00 1.00 H new ATOM 0 HA CYS A 76 77.622 -5.320 6.209 1.00 1.00 H new ATOM 0 HB2 CYS A 76 79.268 -2.803 6.764 1.00 1.00 H new ATOM 0 HB3 CYS A 76 79.800 -4.158 5.788 1.00 1.00 H new ATOM 1120 N GLU A 77 77.969 -5.739 8.964 1.00 1.00 N ATOM 1121 CA GLU A 77 78.622 -6.344 10.158 1.00 1.00 C ATOM 1122 C GLU A 77 79.583 -7.454 9.713 1.00 1.00 C ATOM 1123 O GLU A 77 80.349 -7.287 8.784 1.00 1.00 O ATOM 1124 CB GLU A 77 77.544 -6.911 11.097 1.00 1.00 C ATOM 1125 CG GLU A 77 77.971 -6.700 12.551 1.00 1.00 C ATOM 1126 CD GLU A 77 76.866 -7.195 13.485 1.00 1.00 C ATOM 1127 OE1 GLU A 77 75.865 -6.508 13.603 1.00 1.00 O ATOM 1128 OE2 GLU A 77 77.040 -8.253 14.068 1.00 1.00 O ATOM 0 H GLU A 77 76.955 -5.840 8.924 1.00 1.00 H new ATOM 0 HA GLU A 77 79.191 -5.583 10.692 1.00 1.00 H new ATOM 0 HB2 GLU A 77 76.590 -6.418 10.912 1.00 1.00 H new ATOM 0 HB3 GLU A 77 77.397 -7.973 10.900 1.00 1.00 H new ATOM 0 HG2 GLU A 77 78.898 -7.238 12.750 1.00 1.00 H new ATOM 0 HG3 GLU A 77 78.169 -5.644 12.733 1.00 1.00 H new ATOM 1135 N LEU A 78 79.561 -8.576 10.376 1.00 1.00 N ATOM 1136 CA LEU A 78 80.484 -9.685 10.006 1.00 1.00 C ATOM 1137 C LEU A 78 80.175 -10.198 8.595 1.00 1.00 C ATOM 1138 O LEU A 78 81.066 -10.583 7.864 1.00 1.00 O ATOM 1139 CB LEU A 78 80.323 -10.832 11.010 1.00 1.00 C ATOM 1140 CG LEU A 78 81.185 -10.558 12.244 1.00 1.00 C ATOM 1141 CD1 LEU A 78 80.574 -11.257 13.460 1.00 1.00 C ATOM 1142 CD2 LEU A 78 82.598 -11.096 12.006 1.00 1.00 C ATOM 0 H LEU A 78 78.941 -8.774 11.161 1.00 1.00 H new ATOM 0 HA LEU A 78 81.508 -9.311 10.025 1.00 1.00 H new ATOM 0 HB2 LEU A 78 79.277 -10.931 11.299 1.00 1.00 H new ATOM 0 HB3 LEU A 78 80.618 -11.775 10.550 1.00 1.00 H new ATOM 0 HG LEU A 78 81.228 -9.484 12.426 1.00 1.00 H new ATOM 0 HD11 LEU A 78 81.188 -11.062 14.339 1.00 1.00 H new ATOM 0 HD12 LEU A 78 79.567 -10.877 13.630 1.00 1.00 H new ATOM 0 HD13 LEU A 78 80.531 -12.331 13.279 1.00 1.00 H new ATOM 0 HD21 LEU A 78 83.214 -10.902 12.884 1.00 1.00 H new ATOM 0 HD22 LEU A 78 82.553 -12.170 11.825 1.00 1.00 H new ATOM 0 HD23 LEU A 78 83.035 -10.600 11.139 1.00 1.00 H new ATOM 1154 N HIS A 79 78.928 -10.224 8.203 1.00 1.00 N ATOM 1155 CA HIS A 79 78.602 -10.737 6.839 1.00 1.00 C ATOM 1156 C HIS A 79 77.219 -10.247 6.396 1.00 1.00 C ATOM 1157 O HIS A 79 77.015 -9.906 5.249 1.00 1.00 O ATOM 1158 CB HIS A 79 78.610 -12.268 6.870 1.00 1.00 C ATOM 1159 CG HIS A 79 80.030 -12.761 6.916 1.00 1.00 C ATOM 1160 ND1 HIS A 79 80.545 -13.430 8.016 1.00 1.00 N ATOM 1161 CD2 HIS A 79 81.057 -12.689 6.005 1.00 1.00 C ATOM 1162 CE1 HIS A 79 81.827 -13.733 7.745 1.00 1.00 C ATOM 1163 NE2 HIS A 79 82.187 -13.305 6.534 1.00 1.00 N ATOM 0 H HIS A 79 78.130 -9.917 8.760 1.00 1.00 H new ATOM 0 HA HIS A 79 79.346 -10.368 6.133 1.00 1.00 H new ATOM 0 HB2 HIS A 79 78.061 -12.628 7.740 1.00 1.00 H new ATOM 0 HB3 HIS A 79 78.105 -12.663 5.988 1.00 1.00 H new ATOM 0 HD2 HIS A 79 80.996 -12.227 5.031 1.00 1.00 H new ATOM 0 HE1 HIS A 79 82.483 -14.258 8.423 1.00 1.00 H new ATOM 0 HE2 HIS A 79 83.099 -13.408 6.089 1.00 1.00 H new ATOM 1172 N GLU A 80 76.267 -10.219 7.287 1.00 1.00 N ATOM 1173 CA GLU A 80 74.902 -9.761 6.903 1.00 1.00 C ATOM 1174 C GLU A 80 74.416 -10.569 5.696 1.00 1.00 C ATOM 1175 O GLU A 80 74.223 -11.766 5.778 1.00 1.00 O ATOM 1176 CB GLU A 80 74.942 -8.269 6.549 1.00 1.00 C ATOM 1177 CG GLU A 80 74.956 -7.440 7.835 1.00 1.00 C ATOM 1178 CD GLU A 80 75.931 -8.064 8.835 1.00 1.00 C ATOM 1179 OE1 GLU A 80 77.124 -8.004 8.585 1.00 1.00 O ATOM 1180 OE2 GLU A 80 75.469 -8.592 9.833 1.00 1.00 O ATOM 0 H GLU A 80 76.375 -10.493 8.264 1.00 1.00 H new ATOM 0 HA GLU A 80 74.217 -9.912 7.737 1.00 1.00 H new ATOM 0 HB2 GLU A 80 75.827 -8.049 5.952 1.00 1.00 H new ATOM 0 HB3 GLU A 80 74.076 -8.005 5.943 1.00 1.00 H new ATOM 0 HG2 GLU A 80 75.251 -6.414 7.615 1.00 1.00 H new ATOM 0 HG3 GLU A 80 73.955 -7.399 8.264 1.00 1.00 H new ATOM 1187 N LEU A 81 74.213 -9.926 4.579 1.00 1.00 N ATOM 1188 CA LEU A 81 73.735 -10.653 3.367 1.00 1.00 C ATOM 1189 C LEU A 81 74.926 -10.941 2.451 1.00 1.00 C ATOM 1190 O LEU A 81 74.779 -11.095 1.254 1.00 1.00 O ATOM 1191 CB LEU A 81 72.715 -9.780 2.626 1.00 1.00 C ATOM 1192 CG LEU A 81 71.351 -9.891 3.309 1.00 1.00 C ATOM 1193 CD1 LEU A 81 70.753 -11.272 3.034 1.00 1.00 C ATOM 1194 CD2 LEU A 81 71.520 -9.701 4.817 1.00 1.00 C ATOM 0 H LEU A 81 74.358 -8.924 4.452 1.00 1.00 H new ATOM 0 HA LEU A 81 73.266 -11.593 3.659 1.00 1.00 H new ATOM 0 HB2 LEU A 81 73.046 -8.742 2.620 1.00 1.00 H new ATOM 0 HB3 LEU A 81 72.639 -10.096 1.586 1.00 1.00 H new ATOM 0 HG LEU A 81 70.685 -9.122 2.917 1.00 1.00 H new ATOM 0 HD11 LEU A 81 69.781 -11.351 3.521 1.00 1.00 H new ATOM 0 HD12 LEU A 81 70.633 -11.409 1.959 1.00 1.00 H new ATOM 0 HD13 LEU A 81 71.419 -12.041 3.426 1.00 1.00 H new ATOM 0 HD21 LEU A 81 70.548 -9.780 5.305 1.00 1.00 H new ATOM 0 HD22 LEU A 81 72.186 -10.470 5.208 1.00 1.00 H new ATOM 0 HD23 LEU A 81 71.946 -8.717 5.014 1.00 1.00 H new ATOM 1206 N ALA A 82 76.105 -11.009 3.004 1.00 1.00 N ATOM 1207 CA ALA A 82 77.308 -11.280 2.168 1.00 1.00 C ATOM 1208 C ALA A 82 77.201 -12.670 1.537 1.00 1.00 C ATOM 1209 O ALA A 82 77.826 -13.613 1.982 1.00 1.00 O ATOM 1210 CB ALA A 82 78.559 -11.220 3.046 1.00 1.00 C ATOM 0 H ALA A 82 76.288 -10.888 4.000 1.00 1.00 H new ATOM 0 HA ALA A 82 77.373 -10.530 1.379 1.00 1.00 H new ATOM 0 HB1 ALA A 82 79.441 -11.418 2.437 1.00 1.00 H new ATOM 0 HB2 ALA A 82 78.642 -10.230 3.494 1.00 1.00 H new ATOM 0 HB3 ALA A 82 78.487 -11.970 3.834 1.00 1.00 H new ATOM 1216 N GLN A 83 76.420 -12.806 0.499 1.00 1.00 N ATOM 1217 CA GLN A 83 76.284 -14.136 -0.160 1.00 1.00 C ATOM 1218 C GLN A 83 77.659 -14.587 -0.663 1.00 1.00 C ATOM 1219 O GLN A 83 78.082 -15.701 -0.431 1.00 1.00 O ATOM 1220 CB GLN A 83 75.315 -14.024 -1.340 1.00 1.00 C ATOM 1221 CG GLN A 83 75.222 -15.374 -2.055 1.00 1.00 C ATOM 1222 CD GLN A 83 74.080 -15.335 -3.072 1.00 1.00 C ATOM 1223 OE1 GLN A 83 74.313 -15.301 -4.264 1.00 1.00 O ATOM 1224 NE2 GLN A 83 72.845 -15.338 -2.649 1.00 1.00 N ATOM 0 H GLN A 83 75.872 -12.055 0.080 1.00 1.00 H new ATOM 0 HA GLN A 83 75.898 -14.864 0.553 1.00 1.00 H new ATOM 0 HB2 GLN A 83 74.330 -13.719 -0.987 1.00 1.00 H new ATOM 0 HB3 GLN A 83 75.657 -13.256 -2.034 1.00 1.00 H new ATOM 0 HG2 GLN A 83 76.163 -15.597 -2.558 1.00 1.00 H new ATOM 0 HG3 GLN A 83 75.051 -16.170 -1.331 1.00 1.00 H new ATOM 0 HE21 GLN A 83 72.649 -15.367 -1.648 1.00 1.00 H new ATOM 0 HE22 GLN A 83 72.076 -15.312 -3.319 1.00 1.00 H new ATOM 1233 N TYR A 84 78.359 -13.721 -1.344 1.00 1.00 N ATOM 1234 CA TYR A 84 79.711 -14.083 -1.859 1.00 1.00 C ATOM 1235 C TYR A 84 80.402 -12.818 -2.374 1.00 1.00 C ATOM 1236 O TYR A 84 81.472 -12.457 -1.925 1.00 1.00 O ATOM 1237 CB TYR A 84 79.577 -15.113 -2.989 1.00 1.00 C ATOM 1238 CG TYR A 84 79.800 -16.500 -2.435 1.00 1.00 C ATOM 1239 CD1 TYR A 84 81.059 -16.863 -1.943 1.00 1.00 C ATOM 1240 CD2 TYR A 84 78.747 -17.423 -2.414 1.00 1.00 C ATOM 1241 CE1 TYR A 84 81.265 -18.149 -1.429 1.00 1.00 C ATOM 1242 CE2 TYR A 84 78.953 -18.709 -1.900 1.00 1.00 C ATOM 1243 CZ TYR A 84 80.213 -19.072 -1.408 1.00 1.00 C ATOM 1244 OH TYR A 84 80.416 -20.340 -0.902 1.00 1.00 O ATOM 0 H TYR A 84 78.052 -12.774 -1.567 1.00 1.00 H new ATOM 0 HA TYR A 84 80.308 -14.521 -1.059 1.00 1.00 H new ATOM 0 HB2 TYR A 84 78.588 -15.045 -3.442 1.00 1.00 H new ATOM 0 HB3 TYR A 84 80.302 -14.903 -3.775 1.00 1.00 H new ATOM 0 HD1 TYR A 84 81.871 -16.151 -1.960 1.00 1.00 H new ATOM 0 HD2 TYR A 84 77.776 -17.143 -2.794 1.00 1.00 H new ATOM 0 HE1 TYR A 84 82.236 -18.429 -1.049 1.00 1.00 H new ATOM 0 HE2 TYR A 84 78.141 -19.421 -1.883 1.00 1.00 H new ATOM 0 HH TYR A 84 79.583 -20.853 -0.961 1.00 1.00 H new ATOM 1254 N GLY A 85 79.793 -12.132 -3.300 1.00 1.00 N ATOM 1255 CA GLY A 85 80.412 -10.882 -3.821 1.00 1.00 C ATOM 1256 C GLY A 85 80.232 -9.782 -2.775 1.00 1.00 C ATOM 1257 O GLY A 85 79.752 -8.705 -3.067 1.00 1.00 O ATOM 0 H GLY A 85 78.896 -12.382 -3.717 1.00 1.00 H new ATOM 0 HA2 GLY A 85 81.471 -11.040 -4.027 1.00 1.00 H new ATOM 0 HA3 GLY A 85 79.945 -10.591 -4.762 1.00 1.00 H new ATOM 1261 N ILE A 86 80.601 -10.051 -1.552 1.00 1.00 N ATOM 1262 CA ILE A 86 80.438 -9.028 -0.481 1.00 1.00 C ATOM 1263 C ILE A 86 80.997 -7.687 -0.955 1.00 1.00 C ATOM 1264 O ILE A 86 82.049 -7.618 -1.562 1.00 1.00 O ATOM 1265 CB ILE A 86 81.172 -9.479 0.784 1.00 1.00 C ATOM 1266 CG1 ILE A 86 80.752 -8.593 1.959 1.00 1.00 C ATOM 1267 CG2 ILE A 86 82.682 -9.358 0.570 1.00 1.00 C ATOM 1268 CD1 ILE A 86 81.355 -9.141 3.253 1.00 1.00 C ATOM 0 H ILE A 86 81.008 -10.936 -1.249 1.00 1.00 H new ATOM 0 HA ILE A 86 79.378 -8.913 -0.256 1.00 1.00 H new ATOM 0 HB ILE A 86 80.918 -10.517 1.000 1.00 1.00 H new ATOM 0 HG12 ILE A 86 81.088 -7.569 1.794 1.00 1.00 H new ATOM 0 HG13 ILE A 86 79.665 -8.564 2.036 1.00 1.00 H new ATOM 0 HG21 ILE A 86 83.204 -9.679 1.471 1.00 1.00 H new ATOM 0 HG22 ILE A 86 82.982 -9.988 -0.267 1.00 1.00 H new ATOM 0 HG23 ILE A 86 82.937 -8.321 0.353 1.00 1.00 H new ATOM 0 HD11 ILE A 86 81.056 -8.510 4.090 1.00 1.00 H new ATOM 0 HD12 ILE A 86 80.998 -10.157 3.419 1.00 1.00 H new ATOM 0 HD13 ILE A 86 82.442 -9.147 3.174 1.00 1.00 H new ATOM 1280 N CYS A 87 80.297 -6.622 -0.680 1.00 1.00 N ATOM 1281 CA CYS A 87 80.777 -5.277 -1.110 1.00 1.00 C ATOM 1282 C CYS A 87 81.849 -4.782 -0.137 1.00 1.00 C ATOM 1283 CB CYS A 87 79.600 -4.298 -1.116 1.00 1.00 C ATOM 1284 SG CYS A 87 78.986 -4.082 0.573 1.00 1.00 S ATOM 0 H CYS A 87 79.411 -6.624 -0.175 1.00 1.00 H new ATOM 0 HA CYS A 87 81.201 -5.344 -2.112 1.00 1.00 H new ATOM 0 HB2 CYS A 87 79.914 -3.338 -1.526 1.00 1.00 H new ATOM 0 HB3 CYS A 87 78.804 -4.674 -1.759 1.00 1.00 H new TER 1289 CYS A 87 HETATM 1290 C1C RCY A 110 58.011 -11.077 2.193 1.00 1.00 C HETATM 1291 O1G RCY A 110 58.184 -12.762 3.347 1.00 1.00 O HETATM 1292 O1H RCY A 110 57.486 -10.402 7.378 1.00 1.00 O HETATM 1293 O1J RCY A 110 55.130 -10.248 2.481 1.00 1.00 O HETATM 1294 C1L RCY A 110 57.626 -13.464 5.624 1.00 1.00 C HETATM 1295 C1M RCY A 110 57.590 -8.631 4.938 1.00 1.00 C HETATM 1296 C1P RCY A 110 57.983 -12.458 4.522 1.00 1.00 C HETATM 1297 C1Q RCY A 110 57.841 -11.247 6.557 1.00 1.00 C HETATM 1298 N1R RCY A 110 58.056 -11.032 5.065 1.00 1.00 N HETATM 1299 C1S RCY A 110 58.147 -12.705 6.850 1.00 1.00 C HETATM 1300 C1U RCY A 110 58.286 -9.719 4.313 1.00 1.00 C HETATM 1301 C1V RCY A 110 58.218 -8.553 2.066 1.00 1.00 C HETATM 1302 N1V RCY A 110 56.239 -9.608 3.182 1.00 1.00 N HETATM 1303 C1W RCY A 110 56.165 -8.653 4.371 1.00 1.00 C HETATM 1304 C1X RCY A 110 57.727 -9.745 2.891 1.00 1.00 C HETATM 1305 C1Y RCY A 110 55.748 -7.254 3.909 1.00 1.00 C HETATM 1306 C1Z RCY A 110 55.169 -9.201 5.393 1.00 1.00 C HETATM 0 H1ZB RCY A 110 55.449 -10.219 5.665 1.00 1.00 H new HETATM 0 H1ZA RCY A 110 55.178 -8.572 6.283 1.00 1.00 H new HETATM 0 H1YB RCY A 110 55.781 -6.567 4.754 1.00 1.00 H new HETATM 0 H1YA RCY A 110 56.431 -6.908 3.133 1.00 1.00 H new HETATM 0 H1VB RCY A 110 59.294 -8.635 1.913 1.00 1.00 H new HETATM 0 H1VA RCY A 110 57.713 -8.546 1.100 1.00 1.00 H new HETATM 0 H1MA RCY A 110 57.580 -8.747 6.022 1.00 1.00 H new HETATM 0 H1LA RCY A 110 56.555 -13.661 5.679 1.00 1.00 H new HETATM 0 H1CB RCY A 110 59.088 -11.238 2.140 1.00 1.00 H new HETATM 0 H1CA RCY A 110 57.550 -11.888 2.756 1.00 1.00 H new HETATM 0 H1Z RCY A 110 54.168 -9.204 4.961 1.00 1.00 H new HETATM 0 H1Y RCY A 110 54.734 -7.290 3.510 1.00 1.00 H new HETATM 0 H1V RCY A 110 57.997 -7.627 2.597 1.00 1.00 H new HETATM 0 H1U RCY A 110 59.369 -9.593 4.317 1.00 1.00 H new HETATM 0 H1S RCY A 110 59.216 -12.865 6.991 1.00 1.00 H new HETATM 0 H1M RCY A 110 58.080 -7.681 4.724 1.00 1.00 H new HETATM 0 H1L RCY A 110 58.120 -14.426 5.487 1.00 1.00 H new HETATM 0 H1C RCY A 110 57.597 -11.055 1.185 1.00 1.00 H new HETATM 1309 C1C RCY A 121 62.125 -3.462 -9.432 1.00 1.00 C HETATM 1310 O1G RCY A 121 60.810 -0.202 -11.353 1.00 1.00 O HETATM 1311 O1H RCY A 121 60.573 0.146 -6.649 1.00 1.00 O HETATM 1312 O1J RCY A 121 64.838 -3.917 -8.207 1.00 1.00 O HETATM 1313 C1L RCY A 121 59.127 0.700 -9.823 1.00 1.00 C HETATM 1314 C1M RCY A 121 63.441 -0.359 -7.904 1.00 1.00 C HETATM 1315 C1P RCY A 121 60.440 0.001 -10.197 1.00 1.00 C HETATM 1316 C1Q RCY A 121 60.279 -0.031 -7.830 1.00 1.00 C HETATM 1317 N1R RCY A 121 61.231 -0.412 -8.957 1.00 1.00 N HETATM 1318 C1S RCY A 121 58.892 0.091 -8.436 1.00 1.00 C HETATM 1319 C1U RCY A 121 62.620 -1.045 -8.860 1.00 1.00 C HETATM 1320 C1V RCY A 121 61.742 -2.611 -7.075 1.00 1.00 C HETATM 1321 N1V RCY A 121 64.055 -2.698 -8.030 1.00 1.00 N HETATM 1322 C1W RCY A 121 64.532 -1.353 -7.485 1.00 1.00 C HETATM 1323 C1X RCY A 121 62.581 -2.484 -8.347 1.00 1.00 C HETATM 1324 C1Y RCY A 121 64.655 -1.406 -5.960 1.00 1.00 C HETATM 1325 C1Z RCY A 121 65.876 -1.003 -8.122 1.00 1.00 C HETATM 0 H1ZB RCY A 121 65.782 -1.029 -9.208 1.00 1.00 H new HETATM 0 H1ZA RCY A 121 66.178 -0.004 -7.808 1.00 1.00 H new HETATM 0 H1YB RCY A 121 64.914 -0.417 -5.581 1.00 1.00 H new HETATM 0 H1YA RCY A 121 63.705 -1.722 -5.529 1.00 1.00 H new HETATM 0 H1VB RCY A 121 60.697 -2.401 -7.306 1.00 1.00 H new HETATM 0 H1VA RCY A 121 61.830 -3.623 -6.680 1.00 1.00 H new HETATM 0 H1MA RCY A 121 63.879 0.539 -8.340 1.00 1.00 H new HETATM 0 H1LA RCY A 121 59.226 1.785 -9.791 1.00 1.00 H new HETATM 0 H1CB RCY A 121 61.124 -3.192 -9.768 1.00 1.00 H new HETATM 0 H1CA RCY A 121 62.815 -3.418 -10.275 1.00 1.00 H new HETATM 0 H1Z RCY A 121 66.628 -1.726 -7.805 1.00 1.00 H new HETATM 0 H1Y RCY A 121 65.434 -2.116 -5.682 1.00 1.00 H new HETATM 0 H1V RCY A 121 62.099 -1.899 -6.331 1.00 1.00 H new HETATM 0 H1U RCY A 121 63.011 -0.991 -9.876 1.00 1.00 H new HETATM 0 H1S RCY A 121 58.404 -0.881 -8.508 1.00 1.00 H new HETATM 0 H1M RCY A 121 62.853 -0.041 -7.043 1.00 1.00 H new HETATM 0 H1L RCY A 121 58.320 0.474 -10.520 1.00 1.00 H new HETATM 0 H1C RCY A 121 62.111 -4.474 -9.027 1.00 1.00 H new HETATM 1328 C1C RCY A 130 75.767 3.041 -9.883 1.00 1.00 C HETATM 1329 O1G RCY A 130 72.775 2.627 -11.087 1.00 1.00 O HETATM 1330 O1H RCY A 130 75.133 6.245 -12.998 1.00 1.00 O HETATM 1331 O1J RCY A 130 77.960 4.822 -10.926 1.00 1.00 O HETATM 1332 C1L RCY A 130 73.189 3.324 -13.396 1.00 1.00 C HETATM 1333 C1M RCY A 130 74.675 6.575 -10.005 1.00 1.00 C HETATM 1334 C1P RCY A 130 73.262 3.443 -11.868 1.00 1.00 C HETATM 1335 C1Q RCY A 130 74.284 5.384 -12.773 1.00 1.00 C HETATM 1336 N1R RCY A 130 74.013 4.702 -11.438 1.00 1.00 N HETATM 1337 C1S RCY A 130 73.309 4.803 -13.780 1.00 1.00 C HETATM 1338 C1U RCY A 130 74.399 5.167 -10.032 1.00 1.00 C HETATM 1339 C1V RCY A 130 75.906 4.771 -8.035 1.00 1.00 C HETATM 1340 N1V RCY A 130 76.715 5.313 -10.343 1.00 1.00 N HETATM 1341 C1W RCY A 130 76.146 6.730 -10.411 1.00 1.00 C HETATM 1342 C1X RCY A 130 75.694 4.528 -9.531 1.00 1.00 C HETATM 1343 C1Y RCY A 130 76.881 7.649 -9.431 1.00 1.00 C HETATM 1344 C1Z RCY A 130 76.276 7.253 -11.841 1.00 1.00 C HETATM 0 H1ZB RCY A 130 75.799 6.555 -12.529 1.00 1.00 H new HETATM 0 H1ZA RCY A 130 75.791 8.226 -11.918 1.00 1.00 H new HETATM 0 H1YA RCY A 130 76.834 7.224 -8.429 1.00 1.00 H new HETATM 0 H1VB RCY A 130 75.135 4.248 -7.469 1.00 1.00 H new HETATM 0 H1VA RCY A 130 76.887 4.399 -7.741 1.00 1.00 H new HETATM 0 H1MA RCY A 130 74.023 7.113 -10.693 1.00 1.00 H new HETATM 0 H1LA RCY A 130 73.998 2.719 -13.807 1.00 1.00 H new HETATM 0 H1CB RCY A 130 74.928 2.517 -9.425 1.00 1.00 H new HETATM 0 H1CA RCY A 130 75.723 2.921 -10.965 1.00 1.00 H new HETATM 0 H1Z RCY A 130 77.331 7.352 -12.098 1.00 1.00 H new HETATM 0 H1V RCY A 130 75.846 5.839 -7.828 1.00 1.00 H new HETATM 0 H1U RCY A 130 73.547 4.886 -9.413 1.00 1.00 H new HETATM 0 H1S RCY A 130 72.343 5.305 -13.731 1.00 1.00 H new HETATM 0 H1M RCY A 130 74.500 6.987 -9.011 1.00 1.00 H new HETATM 0 H1L RCY A 130 72.254 2.879 -13.736 1.00 1.00 H new HETATM 0 H1C RCY A 130 76.702 2.624 -9.509 1.00 1.00 H new HETATM 1347 C1C RCY A 138 84.047 3.590 0.816 1.00 1.00 C HETATM 1348 O1G RCY A 138 82.753 6.000 -2.390 1.00 1.00 O HETATM 1349 O1H RCY A 138 86.250 2.934 -3.208 1.00 1.00 O HETATM 1350 O1J RCY A 138 83.013 0.816 1.370 1.00 1.00 O HETATM 1351 C1L RCY A 138 84.856 6.151 -3.632 1.00 1.00 C HETATM 1352 C1M RCY A 138 83.314 1.782 -2.329 1.00 1.00 C HETATM 1353 C1P RCY A 138 83.805 5.471 -2.745 1.00 1.00 C HETATM 1354 C1Q RCY A 138 85.625 3.963 -2.958 1.00 1.00 C HETATM 1355 N1R RCY A 138 84.227 4.054 -2.358 1.00 1.00 N HETATM 1356 C1S RCY A 138 86.107 5.383 -3.191 1.00 1.00 C HETATM 1357 C1U RCY A 138 83.454 2.993 -1.572 1.00 1.00 C HETATM 1358 C1V RCY A 138 85.640 2.192 -0.576 1.00 1.00 C HETATM 1359 N1V RCY A 138 83.382 1.302 0.044 1.00 1.00 N HETATM 1360 C1W RCY A 138 83.055 0.668 -1.307 1.00 1.00 C HETATM 1361 C1X RCY A 138 84.178 2.553 -0.301 1.00 1.00 C HETATM 1362 C1Y RCY A 138 83.972 -0.530 -1.572 1.00 1.00 C HETATM 1363 C1Z RCY A 138 81.589 0.236 -1.315 1.00 1.00 C HETATM 0 H1ZB RCY A 138 80.957 1.088 -1.066 1.00 1.00 H new HETATM 0 H1ZA RCY A 138 81.324 -0.134 -2.305 1.00 1.00 H new HETATM 0 H1YB RCY A 138 83.783 -0.918 -2.573 1.00 1.00 H new HETATM 0 H1YA RCY A 138 85.013 -0.216 -1.495 1.00 1.00 H new HETATM 0 H1MA RCY A 138 82.490 1.859 -3.038 1.00 1.00 H new HETATM 0 H1LA RCY A 138 84.646 6.031 -4.695 1.00 1.00 H new HETATM 0 H1Z RCY A 138 81.439 -0.555 -0.580 1.00 1.00 H new HETATM 0 H1Y RCY A 138 83.773 -1.310 -0.837 1.00 1.00 H new HETATM 0 H1U RCY A 138 82.499 3.468 -1.346 1.00 1.00 H new HETATM 0 H1S RCY A 138 86.535 5.810 -2.284 1.00 1.00 H new HETATM 0 H1M RCY A 138 84.215 1.578 -2.908 1.00 1.00 H new HETATM 0 H1L RCY A 138 84.934 7.221 -3.441 1.00 1.00 H new HETATM 1366 C1C RCY A 150 85.131 4.060 -1.223 1.00 1.00 C HETATM 1367 O1G RCY A 150 83.212 5.866 -0.805 1.00 1.00 O HETATM 1368 O1H RCY A 150 84.131 6.162 3.817 1.00 1.00 O HETATM 1369 O1J RCY A 150 86.645 1.559 -0.501 1.00 1.00 O HETATM 1370 C1L RCY A 150 82.292 7.237 1.001 1.00 1.00 C HETATM 1371 C1M RCY A 150 85.242 3.576 2.444 1.00 1.00 C HETATM 1372 C1P RCY A 150 83.189 6.153 0.391 1.00 1.00 C HETATM 1373 C1Q RCY A 150 83.545 6.120 2.736 1.00 1.00 C HETATM 1374 N1R RCY A 150 84.052 5.473 1.453 1.00 1.00 N HETATM 1375 C1S RCY A 150 82.179 6.707 2.434 1.00 1.00 C HETATM 1376 C1U RCY A 150 85.143 4.415 1.284 1.00 1.00 C HETATM 1377 C1V RCY A 150 83.433 2.870 0.235 1.00 1.00 C HETATM 1378 N1V RCY A 150 85.874 2.352 0.452 1.00 1.00 N HETATM 1379 C1W RCY A 150 85.913 2.278 1.977 1.00 1.00 C HETATM 1380 C1X RCY A 150 84.851 3.438 0.146 1.00 1.00 C HETATM 1381 C1Y RCY A 150 85.132 1.059 2.474 1.00 1.00 C HETATM 1382 C1Z RCY A 150 87.369 2.210 2.437 1.00 1.00 C HETATM 0 H1ZB RCY A 150 87.921 3.054 2.023 1.00 1.00 H new HETATM 0 H1ZA RCY A 150 87.409 2.249 3.526 1.00 1.00 H new HETATM 0 H1YB RCY A 150 85.099 1.067 3.563 1.00 1.00 H new HETATM 0 H1YA RCY A 150 84.116 1.093 2.080 1.00 1.00 H new HETATM 0 H1MA RCY A 150 85.830 4.059 3.225 1.00 1.00 H new HETATM 0 H1LA RCY A 150 82.745 8.227 0.957 1.00 1.00 H new HETATM 0 H1CA RCY A 150 86.180 4.351 -1.283 1.00 1.00 H new HETATM 0 H1Z RCY A 150 87.817 1.279 2.091 1.00 1.00 H new HETATM 0 H1Y RCY A 150 85.624 0.148 2.133 1.00 1.00 H new HETATM 0 H1U RCY A 150 86.049 4.992 1.095 1.00 1.00 H new HETATM 0 H1S RCY A 150 81.397 5.953 2.517 1.00 1.00 H new HETATM 0 H1M RCY A 150 84.257 3.375 2.865 1.00 1.00 H new HETATM 0 H1L RCY A 150 81.324 7.307 0.504 1.00 1.00 H new HETATM 1385 C1C RCY A 160 74.216 3.790 -4.374 1.00 1.00 C HETATM 1386 O1G RCY A 160 72.741 4.345 -7.041 1.00 1.00 O HETATM 1387 O1H RCY A 160 70.331 6.097 -3.377 1.00 1.00 O HETATM 1388 O1J RCY A 160 73.771 5.080 -1.689 1.00 1.00 O HETATM 1389 C1L RCY A 160 71.686 6.511 -6.611 1.00 1.00 C HETATM 1390 C1M RCY A 160 70.793 3.139 -3.128 1.00 1.00 C HETATM 1391 C1P RCY A 160 72.072 5.060 -6.296 1.00 1.00 C HETATM 1392 C1Q RCY A 160 70.698 5.822 -4.518 1.00 1.00 C HETATM 1393 N1R RCY A 160 71.523 4.613 -4.942 1.00 1.00 N HETATM 1394 C1S RCY A 160 70.411 6.631 -5.770 1.00 1.00 C HETATM 1395 C1U RCY A 160 71.739 3.295 -4.195 1.00 1.00 C HETATM 1396 C1V RCY A 160 73.413 1.809 -3.012 1.00 1.00 C HETATM 1397 N1V RCY A 160 72.839 4.144 -2.312 1.00 1.00 N HETATM 1398 C1W RCY A 160 71.389 3.869 -1.918 1.00 1.00 C HETATM 1399 C1X RCY A 160 73.096 3.225 -3.498 1.00 1.00 C HETATM 1400 C1Y RCY A 160 71.332 2.981 -0.672 1.00 1.00 C HETATM 1401 C1Z RCY A 160 70.678 5.199 -1.666 1.00 1.00 C HETATM 0 H1ZB RCY A 160 70.782 5.839 -2.542 1.00 1.00 H new HETATM 0 H1ZA RCY A 160 69.621 5.016 -1.474 1.00 1.00 H new HETATM 0 H1MA RCY A 160 69.826 3.562 -3.400 1.00 1.00 H new HETATM 0 H1LA RCY A 160 72.454 7.222 -6.308 1.00 1.00 H new HETATM 0 H1CB RCY A 160 74.278 3.218 -5.300 1.00 1.00 H new HETATM 0 H1CA RCY A 160 74.005 4.834 -4.606 1.00 1.00 H new HETATM 0 H1Z RCY A 160 71.124 5.692 -0.802 1.00 1.00 H new HETATM 0 H1U RCY A 160 71.644 2.530 -4.966 1.00 1.00 H new HETATM 0 H1S RCY A 160 69.546 6.240 -6.305 1.00 1.00 H new HETATM 0 H1M RCY A 160 70.629 2.085 -2.905 1.00 1.00 H new HETATM 0 H1L RCY A 160 71.502 6.673 -7.673 1.00 1.00 H new HETATM 0 H1C RCY A 160 75.164 3.721 -3.841 1.00 1.00 H new HETATM 1404 C1C RCY A 168 74.313 3.432 -2.508 1.00 1.00 C HETATM 1405 O1G RCY A 168 74.681 5.189 -0.510 1.00 1.00 O HETATM 1406 O1H RCY A 168 74.463 1.848 2.820 1.00 1.00 O HETATM 1407 O1J RCY A 168 73.432 0.847 -3.779 1.00 1.00 O HETATM 1408 C1L RCY A 168 74.692 5.259 1.936 1.00 1.00 C HETATM 1409 C1M RCY A 168 73.760 0.808 0.042 1.00 1.00 C HETATM 1410 C1P RCY A 168 74.611 4.586 0.560 1.00 1.00 C HETATM 1411 C1Q RCY A 168 74.296 2.890 2.189 1.00 1.00 C HETATM 1412 N1R RCY A 168 74.432 3.074 0.683 1.00 1.00 N HETATM 1413 C1S RCY A 168 73.913 4.238 2.773 1.00 1.00 C HETATM 1414 C1U RCY A 168 74.398 2.009 -0.416 1.00 1.00 C HETATM 1415 C1V RCY A 168 72.187 2.953 -1.211 1.00 1.00 C HETATM 1416 N1V RCY A 168 73.429 1.094 -2.340 1.00 1.00 N HETATM 1417 C1W RCY A 168 73.288 0.068 -1.217 1.00 1.00 C HETATM 1418 C1X RCY A 168 73.565 2.431 -1.625 1.00 1.00 C HETATM 1419 C1Y RCY A 168 71.828 -0.368 -1.070 1.00 1.00 C HETATM 1420 C1Z RCY A 168 74.182 -1.134 -1.522 1.00 1.00 C HETATM 0 H1ZB RCY A 168 75.205 -0.795 -1.682 1.00 1.00 H new HETATM 0 H1ZA RCY A 168 74.157 -1.828 -0.682 1.00 1.00 H new HETATM 0 H1MA RCY A 168 74.453 0.194 0.618 1.00 1.00 H new HETATM 0 H1LA RCY A 168 75.719 5.384 2.280 1.00 1.00 H new HETATM 0 H1CB RCY A 168 74.550 4.324 -1.927 1.00 1.00 H new HETATM 0 H1CA RCY A 168 75.236 2.979 -2.870 1.00 1.00 H new HETATM 0 H1Z RCY A 168 73.822 -1.637 -2.419 1.00 1.00 H new HETATM 0 H1Y RCY A 168 71.512 -0.891 -1.973 1.00 1.00 H new HETATM 0 H1U RCY A 168 75.445 1.863 -0.682 1.00 1.00 H new HETATM 0 H1L RCY A 168 74.230 6.246 1.946 1.00 1.00 H new HETATM 1423 C1C RCY A 173 71.211 2.801 0.408 1.00 1.00 C HETATM 1424 O1G RCY A 173 68.775 2.244 2.329 1.00 1.00 O HETATM 1425 O1H RCY A 173 71.296 -1.559 3.545 1.00 1.00 O HETATM 1426 O1J RCY A 173 74.190 3.168 0.164 1.00 1.00 O HETATM 1427 C1L RCY A 173 68.162 0.008 3.110 1.00 1.00 C HETATM 1428 C1M RCY A 173 73.023 0.700 2.857 1.00 1.00 C HETATM 1429 C1P RCY A 173 69.127 1.115 2.668 1.00 1.00 C HETATM 1430 C1Q RCY A 173 70.427 -0.828 3.074 1.00 1.00 C HETATM 1431 N1R RCY A 173 70.579 0.642 2.703 1.00 1.00 N HETATM 1432 C1S RCY A 173 68.998 -1.226 2.754 1.00 1.00 C HETATM 1433 C1U RCY A 173 71.863 1.432 2.436 1.00 1.00 C HETATM 1434 C1V RCY A 173 71.973 0.400 0.126 1.00 1.00 C HETATM 1435 N1V RCY A 173 73.557 2.140 0.985 1.00 1.00 N HETATM 1436 C1W RCY A 173 74.204 1.283 2.071 1.00 1.00 C HETATM 1437 C1X RCY A 173 72.105 1.683 0.949 1.00 1.00 C HETATM 1438 C1Y RCY A 173 75.038 0.163 1.443 1.00 1.00 C HETATM 1439 C1Z RCY A 173 75.076 2.172 2.957 1.00 1.00 C HETATM 0 H1YB RCY A 173 75.423 -0.488 2.228 1.00 1.00 H new HETATM 0 H1MA RCY A 173 73.181 0.804 3.931 1.00 1.00 H new HETATM 0 H1LA RCY A 173 67.926 0.060 4.173 1.00 1.00 H new HETATM 0 H1Y RCY A 173 75.871 0.596 0.890 1.00 1.00 H new HETATM 0 H1S RCY A 173 68.886 -1.490 1.702 1.00 1.00 H new HETATM 0 H1M RCY A 173 72.907 -0.364 2.653 1.00 1.00 H new HETATM 0 H1L RCY A 173 67.215 0.040 2.571 1.00 1.00 H new HETATM 1442 C1C RCY A 176 75.526 2.669 7.272 1.00 1.00 C HETATM 1443 O1G RCY A 176 78.526 2.215 4.751 1.00 1.00 O HETATM 1444 O1H RCY A 176 75.477 -1.388 4.594 1.00 1.00 O HETATM 1445 O1J RCY A 176 72.729 3.648 6.733 1.00 1.00 O HETATM 1446 C1L RCY A 176 78.806 -0.210 4.578 1.00 1.00 C HETATM 1447 C1M RCY A 176 74.295 1.464 3.997 1.00 1.00 C HETATM 1448 C1P RCY A 176 78.014 1.097 4.722 1.00 1.00 C HETATM 1449 C1Q RCY A 176 76.454 -0.686 4.850 1.00 1.00 C HETATM 1450 N1R RCY A 176 76.513 0.836 4.825 1.00 1.00 N HETATM 1451 C1S RCY A 176 77.831 -1.182 5.252 1.00 1.00 C HETATM 1452 C1U RCY A 176 75.357 1.837 4.887 1.00 1.00 C HETATM 1453 C1V RCY A 176 74.337 0.487 6.771 1.00 1.00 C HETATM 1454 N1V RCY A 176 73.420 2.655 5.915 1.00 1.00 N HETATM 1455 C1W RCY A 176 73.033 2.157 4.524 1.00 1.00 C HETATM 1456 C1X RCY A 176 74.688 1.886 6.259 1.00 1.00 C HETATM 1457 C1Y RCY A 176 71.871 1.163 4.616 1.00 1.00 C HETATM 1458 C1Z RCY A 176 72.651 3.353 3.653 1.00 1.00 C HETATM 0 H1ZA RCY A 176 72.461 3.015 2.634 1.00 1.00 H new HETATM 0 H1VB RCY A 176 75.254 -0.072 6.961 1.00 1.00 H new HETATM 0 H1CA RCY A 176 75.660 3.692 6.920 1.00 1.00 H new HETATM 0 H1V RCY A 176 73.742 -0.036 6.022 1.00 1.00 H new HETATM 0 H1U RCY A 176 75.815 2.792 4.630 1.00 1.00 H new HETATM 0 H1S RCY A 176 77.953 -1.178 6.335 1.00 1.00 H new HETATM 0 H1M RCY A 176 74.166 0.382 3.977 1.00 1.00 H new HETATM 0 H1L RCY A 176 79.772 -0.171 5.082 1.00 1.00 H new HETATM 0 H1C RCY A 176 75.016 2.680 8.235 1.00 1.00 H new HETATM 1461 C1C RCY A 187 77.944 0.161 3.987 1.00 1.00 C HETATM 1462 O1G RCY A 187 74.744 -1.226 1.074 1.00 1.00 O HETATM 1463 O1H RCY A 187 79.443 -1.279 1.544 1.00 1.00 O HETATM 1464 O1J RCY A 187 80.602 0.716 2.684 1.00 1.00 O HETATM 1465 C1L RCY A 187 76.432 -2.982 0.835 1.00 1.00 C HETATM 1466 C1M RCY A 187 77.504 1.721 0.661 1.00 1.00 C HETATM 1467 C1P RCY A 187 75.930 -1.554 1.086 1.00 1.00 C HETATM 1468 C1Q RCY A 187 78.301 -1.483 1.135 1.00 1.00 C HETATM 1469 N1R RCY A 187 77.085 -0.590 1.351 1.00 1.00 N HETATM 1470 C1S RCY A 187 77.842 -2.677 0.319 1.00 1.00 C HETATM 1471 C1U RCY A 187 77.043 0.890 1.736 1.00 1.00 C HETATM 1472 C1V RCY A 187 77.715 2.628 3.450 1.00 1.00 C HETATM 1473 N1V RCY A 187 79.323 1.197 2.170 1.00 1.00 N HETATM 1474 C1W RCY A 187 79.031 1.779 0.788 1.00 1.00 C HETATM 1475 C1X RCY A 187 77.983 1.229 2.892 1.00 1.00 C HETATM 1476 C1Y RCY A 187 79.525 3.226 0.702 1.00 1.00 C HETATM 1477 C1Z RCY A 187 79.710 0.914 -0.273 1.00 1.00 C HETATM 0 H1ZB RCY A 187 79.392 -0.122 -0.156 1.00 1.00 H new HETATM 0 H1ZA RCY A 187 79.431 1.269 -1.265 1.00 1.00 H new HETATM 0 H1YB RCY A 187 79.234 3.653 -0.258 1.00 1.00 H new HETATM 0 H1YA RCY A 187 79.082 3.810 1.508 1.00 1.00 H new HETATM 0 H1VB RCY A 187 76.729 2.652 3.915 1.00 1.00 H new HETATM 0 H1MA RCY A 187 77.209 1.308 -0.304 1.00 1.00 H new HETATM 0 H1LA RCY A 187 76.441 -3.587 1.742 1.00 1.00 H new HETATM 0 H1Z RCY A 187 80.792 0.977 -0.156 1.00 1.00 H new HETATM 0 H1Y RCY A 187 80.611 3.246 0.794 1.00 1.00 H new HETATM 0 H1V RCY A 187 77.752 3.356 2.640 1.00 1.00 H new HETATM 0 H1U RCY A 187 76.001 1.070 2.000 1.00 1.00 H new HETATM 0 H1S RCY A 187 77.833 -2.448 -0.747 1.00 1.00 H new HETATM 0 H1M RCY A 187 77.070 2.719 0.727 1.00 1.00 H new HETATM 0 H1L RCY A 187 75.826 -3.515 0.103 1.00 1.00 H new