USER MOD reduce.3.24.130724 H: found=0, std=0, add=791, rem=0, adj=16 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 9 GLU H : A 9 GLU N : A 110 RCY C1C :(H bumps) USER MOD NoAdj-H: A 29 LYS HZ1 : A 29 LYS NZ : A 130 RCY C1W :...(NH2R) USER MOD NoAdj-H: A 29 LYS HZ2 : A 29 LYS NZ : A 130 RCY C1W :...(NH2R) USER MOD NoAdj-H: A 29 LYS HZ3 : A 29 LYS NZ : A 130 RCY C1W :...(NH2R) USER MOD NoAdj-H: A 110 RCYH1SA : A 110 RCY C1S : A 10 CYS SG :(H bumps) USER MOD NoAdj-H: A 110 RCYH1MA : A 110 RCY C1M : A 9 GLU CB :(H bumps) USER MOD NoAdj-H: A 110 RCYH1LA : A 110 RCY C1L : A 9 GLU C :(H bumps) USER MOD NoAdj-H: A 110 RCYH1CB : A 110 RCY C1C : A 9 GLU N :(H bumps) USER MOD NoAdj-H: A 110 RCYH1CA : A 110 RCY C1C : A 9 GLU N :(H bumps) USER MOD NoAdj-H: A 110 RCY H1U : A 110 RCY C1U : A 9 GLU CA :(H bumps) USER MOD NoAdj-H: A 121 RCYH1ZB : A 121 RCY C1Z : A 64 ILE CD1 :(H bumps) USER MOD NoAdj-H: A 121 RCYH1VA : A 121 RCY C1V : A 17 MET SD :(H bumps) USER MOD NoAdj-H: A 121 RCYH1SA : A 121 RCY C1S : A 21 CYS SG :(H bumps) USER MOD NoAdj-H: A 121 RCY H1V : A 121 RCY C1V : A 17 MET SD :(H bumps) USER MOD NoAdj-H: A 130 RCYH1ZB : A 130 RCY C1Z : A 29 LYS CE :(H bumps) USER MOD NoAdj-H: A 130 RCYH1SA : A 130 RCY C1S : A 30 CYS SG :(H bumps) USER MOD NoAdj-H: A 130 RCYH1MA : A 130 RCY C1M : A 29 LYS CD :(H bumps) USER MOD NoAdj-H: A 130 RCY H1M : A 130 RCY C1M : A 29 LYS CD :(H bumps) USER MOD NoAdj-H: A 138 RCYH1SA : A 138 RCY C1S : A 38 CYS SG :(H bumps) USER MOD NoAdj-H: A 150 RCYH1ZB : A 150 RCY C1Z : A 173 RCY C1C :(H bumps) USER MOD NoAdj-H: A 150 RCYH1ZA : A 150 RCY C1Z : A 173 RCY C1C :(H bumps) USER MOD NoAdj-H: A 150 RCYH1SA : A 150 RCY C1S : A 50 CYS SG :(H bumps) USER MOD NoAdj-H: A 150 RCY H1Z : A 150 RCY C1Z : A 173 RCY C1C :(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 RCYH1CB : A 160 RCY C1C : A 66 VAL O :(H bumps) USER MOD NoAdj-H: A 160 RCYH1CA : A 160 RCY C1C : A 66 VAL C :(H bumps) USER MOD NoAdj-H: A 160 RCY H1C : A 160 RCY C1C : A 66 VAL O :(H bumps) USER MOD NoAdj-H: A 168 RCYH1SA : A 168 RCY C1S : A 68 CYS SG :(H bumps) USER MOD NoAdj-H: A 173 RCYH1YA : A 173 RCY C1Y : A 71 GLU OE2 :(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 RCYH1CA : A 173 RCY C1C : A 150 RCY C1Z :(H bumps) USER MOD NoAdj-H: A 173 RCY H1U : A 173 RCY C1U : A 176 RCY C1X :(H bumps) USER MOD NoAdj-H: A 173 RCY H1C : A 173 RCY C1C : A 150 RCY C1Z :(H bumps) USER MOD NoAdj-H: A 176 RCYH1VB : A 176 RCY C1V : A 173 RCY C1Q :(H bumps) USER MOD NoAdj-H: A 176 RCYH1VA : A 176 RCY C1V : A 173 RCY C1Q :(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 RCYH1CB : A 176 RCY C1C : A 173 RCY C1U :(H bumps) USER MOD NoAdj-H: A 176 RCY H1V : A 176 RCY C1V : A 173 RCY C1Q :(H bumps) USER MOD NoAdj-H: A 176 RCY H1C : A 176 RCY C1C : A 173 RCY C1U :(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 RCYH1MA : A 187 RCY C1M : A 138 RCY O1G :(H bumps) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -109:sc= 0.126 (180deg=-0.0495) USER MOD Single : A 2 ASN : amide:sc= -0.578 K(o=-0.58,f=-2.4!) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot -31:sc= 1.22 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl -159:sc= -18.7! (180deg=-21.2!) USER MOD Single : A 22 THR OG1 : rot -141:sc= -3.61! USER MOD Single : A 25 LYS NZ :NH3+ 147:sc= -0.0895 (180deg=-0.659) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 GLN : amide:sc= -3.03! C(o=-3!,f=-11!) USER MOD Single : A 34 GLN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Single : A 35 THR OG1 : rot -63:sc= 1.05 USER MOD Single : A 37 GLN : amide:sc= -0.176 X(o=-0.18,f=-0.0061) USER MOD Single : A 39 LYS NZ :NH3+ 152:sc= -2.43! (180deg=-4) USER MOD Single : A 40 SER OG : rot 180:sc= -0.541! USER MOD Single : A 41 LYS NZ :NH3+ 159:sc= -0.126 (180deg=-0.802) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ -147:sc= -0.225 (180deg=-1.37!) USER MOD Single : A 48 GLN :FLIP amide:sc= -8.32! C(o=-14!,f=-8.3!) USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot -120:sc= -4.53! USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.0458 USER MOD Single : A 74 ASN : amide:sc= -0.0409 K(o=-0.041,f=-1.7!) USER MOD Single : A 75 HIS : no HD1:sc= -4.31! C(o=-4.3!,f=-6.2!) USER MOD Single : A 79 HIS : no HE2:sc= -21.1! C(o=-21!,f=-21!) USER MOD Single : A 83 GLN : amide:sc= -3.29! C(o=-3.3!,f=-13!) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 63.692 4.995 -15.790 1.00 1.00 N ATOM 2 CA MET A 1 62.348 4.578 -15.298 1.00 1.00 C ATOM 3 C MET A 1 62.003 3.199 -15.864 1.00 1.00 C ATOM 4 O MET A 1 62.712 2.662 -16.692 1.00 1.00 O ATOM 5 CB MET A 1 61.300 5.595 -15.756 1.00 1.00 C ATOM 6 CG MET A 1 61.403 6.856 -14.896 1.00 1.00 C ATOM 7 SD MET A 1 60.132 8.040 -15.407 1.00 1.00 S ATOM 8 CE MET A 1 59.920 8.852 -13.804 1.00 1.00 C ATOM 0 H1 MET A 1 64.374 4.965 -15.005 1.00 1.00 H new ATOM 0 H2 MET A 1 64.002 4.348 -16.543 1.00 1.00 H new ATOM 0 H3 MET A 1 63.639 5.964 -16.165 1.00 1.00 H new ATOM 0 HA MET A 1 62.357 4.531 -14.209 1.00 1.00 H new ATOM 0 HB2 MET A 1 61.454 5.844 -16.806 1.00 1.00 H new ATOM 0 HB3 MET A 1 60.301 5.166 -15.674 1.00 1.00 H new ATOM 0 HG2 MET A 1 61.277 6.603 -13.843 1.00 1.00 H new ATOM 0 HG3 MET A 1 62.393 7.301 -15.001 1.00 1.00 H new ATOM 0 HE1 MET A 1 59.166 9.634 -13.889 1.00 1.00 H new ATOM 0 HE2 MET A 1 59.600 8.118 -13.064 1.00 1.00 H new ATOM 0 HE3 MET A 1 60.866 9.293 -13.492 1.00 1.00 H new ATOM 17 N ASN A 2 60.919 2.621 -15.423 1.00 1.00 N ATOM 18 CA ASN A 2 60.530 1.277 -15.936 1.00 1.00 C ATOM 19 C ASN A 2 60.406 1.328 -17.459 1.00 1.00 C ATOM 20 O ASN A 2 59.606 2.065 -18.002 1.00 1.00 O ATOM 21 CB ASN A 2 59.186 0.869 -15.328 1.00 1.00 C ATOM 22 CG ASN A 2 58.109 1.869 -15.753 1.00 1.00 C ATOM 23 OD1 ASN A 2 58.093 2.994 -15.295 1.00 1.00 O ATOM 24 ND2 ASN A 2 57.201 1.504 -16.617 1.00 1.00 N ATOM 0 H ASN A 2 60.286 3.021 -14.730 1.00 1.00 H new ATOM 0 HA ASN A 2 61.291 0.548 -15.658 1.00 1.00 H new ATOM 0 HB2 ASN A 2 58.916 -0.134 -15.657 1.00 1.00 H new ATOM 0 HB3 ASN A 2 59.261 0.839 -14.241 1.00 1.00 H new ATOM 0 HD21 ASN A 2 56.479 2.163 -16.907 1.00 1.00 H new ATOM 0 HD22 ASN A 2 57.214 0.560 -17.002 1.00 1.00 H new ATOM 31 N LEU A 3 61.189 0.550 -18.155 1.00 1.00 N ATOM 32 CA LEU A 3 61.113 0.556 -19.643 1.00 1.00 C ATOM 33 C LEU A 3 61.771 -0.711 -20.193 1.00 1.00 C ATOM 34 O LEU A 3 61.363 -1.244 -21.206 1.00 1.00 O ATOM 35 CB LEU A 3 61.843 1.789 -20.187 1.00 1.00 C ATOM 36 CG LEU A 3 61.403 2.053 -21.628 1.00 1.00 C ATOM 37 CD1 LEU A 3 60.151 2.932 -21.628 1.00 1.00 C ATOM 38 CD2 LEU A 3 62.527 2.769 -22.380 1.00 1.00 C ATOM 0 H LEU A 3 61.878 -0.089 -17.758 1.00 1.00 H new ATOM 0 HA LEU A 3 60.068 0.586 -19.953 1.00 1.00 H new ATOM 0 HB2 LEU A 3 61.625 2.657 -19.565 1.00 1.00 H new ATOM 0 HB3 LEU A 3 62.921 1.632 -20.148 1.00 1.00 H new ATOM 0 HG LEU A 3 61.181 1.105 -22.119 1.00 1.00 H new ATOM 0 HD11 LEU A 3 59.838 3.120 -22.655 1.00 1.00 H new ATOM 0 HD12 LEU A 3 59.350 2.424 -21.092 1.00 1.00 H new ATOM 0 HD13 LEU A 3 60.372 3.880 -21.137 1.00 1.00 H new ATOM 0 HD21 LEU A 3 62.215 2.958 -23.407 1.00 1.00 H new ATOM 0 HD22 LEU A 3 62.748 3.716 -21.888 1.00 1.00 H new ATOM 0 HD23 LEU A 3 63.420 2.144 -22.381 1.00 1.00 H new ATOM 50 N GLU A 4 62.787 -1.199 -19.535 1.00 1.00 N ATOM 51 CA GLU A 4 63.468 -2.431 -20.024 1.00 1.00 C ATOM 52 C GLU A 4 62.658 -3.664 -19.598 1.00 1.00 C ATOM 53 O GLU A 4 62.186 -3.739 -18.482 1.00 1.00 O ATOM 54 CB GLU A 4 64.871 -2.510 -19.417 1.00 1.00 C ATOM 55 CG GLU A 4 65.794 -1.523 -20.135 1.00 1.00 C ATOM 56 CD GLU A 4 65.181 -0.122 -20.086 1.00 1.00 C ATOM 57 OE1 GLU A 4 65.275 0.508 -19.045 1.00 1.00 O ATOM 58 OE2 GLU A 4 64.629 0.296 -21.090 1.00 1.00 O ATOM 0 H GLU A 4 63.175 -0.798 -18.681 1.00 1.00 H new ATOM 0 HA GLU A 4 63.542 -2.401 -21.111 1.00 1.00 H new ATOM 0 HB2 GLU A 4 64.832 -2.279 -18.352 1.00 1.00 H new ATOM 0 HB3 GLU A 4 65.262 -3.523 -19.509 1.00 1.00 H new ATOM 0 HG2 GLU A 4 66.776 -1.518 -19.663 1.00 1.00 H new ATOM 0 HG3 GLU A 4 65.939 -1.832 -21.170 1.00 1.00 H new ATOM 65 N PRO A 5 62.498 -4.626 -20.476 1.00 1.00 N ATOM 66 CA PRO A 5 61.734 -5.869 -20.176 1.00 1.00 C ATOM 67 C PRO A 5 61.986 -6.384 -18.750 1.00 1.00 C ATOM 68 O PRO A 5 63.005 -6.988 -18.478 1.00 1.00 O ATOM 69 CB PRO A 5 62.271 -6.863 -21.206 1.00 1.00 C ATOM 70 CG PRO A 5 62.662 -6.028 -22.382 1.00 1.00 C ATOM 71 CD PRO A 5 63.030 -4.638 -21.849 1.00 1.00 C ATOM 0 HA PRO A 5 60.657 -5.711 -20.231 1.00 1.00 H new ATOM 0 HB2 PRO A 5 63.124 -7.416 -20.813 1.00 1.00 H new ATOM 0 HB3 PRO A 5 61.513 -7.598 -21.478 1.00 1.00 H new ATOM 0 HG2 PRO A 5 63.506 -6.475 -22.907 1.00 1.00 H new ATOM 0 HG3 PRO A 5 61.841 -5.961 -23.096 1.00 1.00 H new ATOM 0 HD2 PRO A 5 64.108 -4.480 -21.860 1.00 1.00 H new ATOM 0 HD3 PRO A 5 62.586 -3.848 -22.455 1.00 1.00 H new ATOM 79 N PRO A 6 61.067 -6.150 -17.846 1.00 1.00 N ATOM 80 CA PRO A 6 61.197 -6.599 -16.433 1.00 1.00 C ATOM 81 C PRO A 6 60.730 -8.047 -16.241 1.00 1.00 C ATOM 82 O PRO A 6 59.777 -8.487 -16.854 1.00 1.00 O ATOM 83 CB PRO A 6 60.285 -5.632 -15.680 1.00 1.00 C ATOM 84 CG PRO A 6 59.212 -5.272 -16.657 1.00 1.00 C ATOM 85 CD PRO A 6 59.804 -5.427 -18.064 1.00 1.00 C ATOM 0 HA PRO A 6 62.230 -6.589 -16.087 1.00 1.00 H new ATOM 0 HB2 PRO A 6 59.866 -6.098 -14.788 1.00 1.00 H new ATOM 0 HB3 PRO A 6 60.832 -4.748 -15.351 1.00 1.00 H new ATOM 0 HG2 PRO A 6 58.345 -5.921 -16.532 1.00 1.00 H new ATOM 0 HG3 PRO A 6 58.871 -4.249 -16.494 1.00 1.00 H new ATOM 0 HD2 PRO A 6 59.134 -5.984 -18.719 1.00 1.00 H new ATOM 0 HD3 PRO A 6 59.975 -4.458 -18.533 1.00 1.00 H new ATOM 93 N LYS A 7 61.392 -8.791 -15.396 1.00 1.00 N ATOM 94 CA LYS A 7 60.982 -10.206 -15.171 1.00 1.00 C ATOM 95 C LYS A 7 61.670 -10.748 -13.914 1.00 1.00 C ATOM 96 O LYS A 7 61.295 -10.428 -12.804 1.00 1.00 O ATOM 97 CB LYS A 7 61.385 -11.050 -16.384 1.00 1.00 C ATOM 98 CG LYS A 7 62.734 -10.565 -16.917 1.00 1.00 C ATOM 99 CD LYS A 7 63.267 -11.565 -17.946 1.00 1.00 C ATOM 100 CE LYS A 7 64.421 -10.932 -18.724 1.00 1.00 C ATOM 101 NZ LYS A 7 64.871 -11.867 -19.794 1.00 1.00 N ATOM 0 H LYS A 7 62.198 -8.480 -14.853 1.00 1.00 H new ATOM 0 HA LYS A 7 59.901 -10.255 -15.037 1.00 1.00 H new ATOM 0 HB2 LYS A 7 61.449 -12.101 -16.104 1.00 1.00 H new ATOM 0 HB3 LYS A 7 60.626 -10.973 -17.162 1.00 1.00 H new ATOM 0 HG2 LYS A 7 62.624 -9.581 -17.374 1.00 1.00 H new ATOM 0 HG3 LYS A 7 63.444 -10.458 -16.097 1.00 1.00 H new ATOM 0 HD2 LYS A 7 63.606 -12.472 -17.445 1.00 1.00 H new ATOM 0 HD3 LYS A 7 62.471 -11.858 -18.630 1.00 1.00 H new ATOM 0 HE2 LYS A 7 64.102 -9.986 -19.163 1.00 1.00 H new ATOM 0 HE3 LYS A 7 65.248 -10.708 -18.050 1.00 1.00 H new ATOM 0 HZ1 LYS A 7 65.656 -11.437 -20.323 1.00 1.00 H new ATOM 0 HZ2 LYS A 7 65.191 -12.758 -19.364 1.00 1.00 H new ATOM 0 HZ3 LYS A 7 64.081 -12.059 -20.442 1.00 1.00 H new ATOM 115 N ALA A 8 62.671 -11.570 -14.081 1.00 1.00 N ATOM 116 CA ALA A 8 63.383 -12.137 -12.899 1.00 1.00 C ATOM 117 C ALA A 8 62.498 -13.194 -12.230 1.00 1.00 C ATOM 118 O ALA A 8 61.674 -13.819 -12.868 1.00 1.00 O ATOM 119 CB ALA A 8 63.698 -11.016 -11.901 1.00 1.00 C ATOM 0 H ALA A 8 63.027 -11.874 -14.987 1.00 1.00 H new ATOM 0 HA ALA A 8 64.315 -12.599 -13.223 1.00 1.00 H new ATOM 0 HB1 ALA A 8 64.218 -11.432 -11.038 1.00 1.00 H new ATOM 0 HB2 ALA A 8 64.331 -10.269 -12.381 1.00 1.00 H new ATOM 0 HB3 ALA A 8 62.769 -10.549 -11.574 1.00 1.00 H new ATOM 125 N GLU A 9 62.663 -13.401 -10.950 1.00 1.00 N ATOM 126 CA GLU A 9 61.831 -14.419 -10.244 1.00 1.00 C ATOM 127 C GLU A 9 61.526 -13.937 -8.823 1.00 1.00 C ATOM 128 O GLU A 9 60.845 -14.601 -8.066 1.00 1.00 O ATOM 129 CB GLU A 9 62.593 -15.747 -10.182 1.00 1.00 C ATOM 130 CG GLU A 9 61.620 -16.881 -9.853 1.00 1.00 C ATOM 131 CD GLU A 9 62.355 -18.221 -9.923 1.00 1.00 C ATOM 132 OE1 GLU A 9 63.255 -18.339 -10.738 1.00 1.00 O ATOM 133 OE2 GLU A 9 62.005 -19.106 -9.160 1.00 1.00 O ATOM 0 HA GLU A 9 60.896 -14.561 -10.785 1.00 1.00 H new ATOM 0 HB2 GLU A 9 63.085 -15.941 -11.135 1.00 1.00 H new ATOM 0 HB3 GLU A 9 63.375 -15.694 -9.425 1.00 1.00 H new ATOM 0 HG2 GLU A 9 61.200 -16.736 -8.858 1.00 1.00 H new ATOM 0 HG3 GLU A 9 60.786 -16.874 -10.555 1.00 1.00 H new ATOM 140 N CYS A 10 62.023 -12.786 -8.453 1.00 1.00 N ATOM 141 CA CYS A 10 61.761 -12.261 -7.082 1.00 1.00 C ATOM 142 C CYS A 10 61.413 -10.773 -7.162 1.00 1.00 C ATOM 143 O CYS A 10 60.638 -10.264 -6.377 1.00 1.00 O ATOM 144 CB CYS A 10 63.010 -12.451 -6.217 1.00 1.00 C ATOM 145 SG CYS A 10 63.232 -14.211 -5.858 1.00 1.00 S ATOM 0 H CYS A 10 62.600 -12.186 -9.043 1.00 1.00 H new ATOM 0 HA CYS A 10 60.926 -12.803 -6.638 1.00 1.00 H new ATOM 0 HB2 CYS A 10 63.887 -12.061 -6.734 1.00 1.00 H new ATOM 0 HB3 CYS A 10 62.911 -11.889 -5.288 1.00 1.00 H new ATOM 150 N ARG A 11 61.970 -10.073 -8.113 1.00 1.00 N ATOM 151 CA ARG A 11 61.663 -8.619 -8.253 1.00 1.00 C ATOM 152 C ARG A 11 61.601 -8.267 -9.743 1.00 1.00 C ATOM 153 O ARG A 11 62.593 -8.314 -10.443 1.00 1.00 O ATOM 154 CB ARG A 11 62.761 -7.789 -7.564 1.00 1.00 C ATOM 155 CG ARG A 11 62.130 -6.883 -6.505 1.00 1.00 C ATOM 156 CD ARG A 11 63.084 -5.731 -6.184 1.00 1.00 C ATOM 157 NE ARG A 11 62.768 -4.566 -7.057 1.00 1.00 N ATOM 158 CZ ARG A 11 63.672 -3.651 -7.277 1.00 1.00 C ATOM 159 NH1 ARG A 11 64.853 -3.756 -6.732 1.00 1.00 N ATOM 160 NH2 ARG A 11 63.395 -2.630 -8.042 1.00 1.00 N ATOM 0 H ARG A 11 62.625 -10.445 -8.800 1.00 1.00 H new ATOM 0 HA ARG A 11 60.705 -8.395 -7.783 1.00 1.00 H new ATOM 0 HB2 ARG A 11 63.494 -8.450 -7.102 1.00 1.00 H new ATOM 0 HB3 ARG A 11 63.293 -7.188 -8.301 1.00 1.00 H new ATOM 0 HG2 ARG A 11 61.179 -6.492 -6.866 1.00 1.00 H new ATOM 0 HG3 ARG A 11 61.917 -7.455 -5.602 1.00 1.00 H new ATOM 0 HD2 ARG A 11 62.991 -5.449 -5.135 1.00 1.00 H new ATOM 0 HD3 ARG A 11 64.116 -6.046 -6.339 1.00 1.00 H new ATOM 0 HE ARG A 11 61.845 -4.484 -7.483 1.00 1.00 H new ATOM 0 HH11 ARG A 11 65.070 -4.553 -6.134 1.00 1.00 H new ATOM 0 HH12 ARG A 11 65.560 -3.041 -6.904 1.00 1.00 H new ATOM 0 HH21 ARG A 11 62.472 -2.547 -8.468 1.00 1.00 H new ATOM 0 HH22 ARG A 11 64.102 -1.915 -8.214 1.00 1.00 H new ATOM 174 N SER A 12 60.440 -7.921 -10.232 1.00 1.00 N ATOM 175 CA SER A 12 60.307 -7.571 -11.678 1.00 1.00 C ATOM 176 C SER A 12 60.283 -6.049 -11.839 1.00 1.00 C ATOM 177 O SER A 12 60.941 -5.498 -12.699 1.00 1.00 O ATOM 178 CB SER A 12 59.006 -8.161 -12.223 1.00 1.00 C ATOM 179 OG SER A 12 59.015 -9.569 -12.036 1.00 1.00 O ATOM 0 H SER A 12 59.576 -7.865 -9.692 1.00 1.00 H new ATOM 0 HA SER A 12 61.154 -7.979 -12.230 1.00 1.00 H new ATOM 0 HB2 SER A 12 58.151 -7.720 -11.711 1.00 1.00 H new ATOM 0 HB3 SER A 12 58.901 -7.924 -13.282 1.00 1.00 H new ATOM 0 HG SER A 12 59.936 -9.900 -12.091 1.00 1.00 H new ATOM 185 N ALA A 13 59.531 -5.366 -11.021 1.00 1.00 N ATOM 186 CA ALA A 13 59.467 -3.881 -11.131 1.00 1.00 C ATOM 187 C ALA A 13 58.587 -3.325 -10.011 1.00 1.00 C ATOM 188 O ALA A 13 57.893 -4.056 -9.333 1.00 1.00 O ATOM 189 CB ALA A 13 58.871 -3.495 -12.487 1.00 1.00 C ATOM 0 H ALA A 13 58.958 -5.772 -10.281 1.00 1.00 H new ATOM 0 HA ALA A 13 60.471 -3.466 -11.044 1.00 1.00 H new ATOM 0 HB1 ALA A 13 58.824 -2.409 -12.568 1.00 1.00 H new ATOM 0 HB2 ALA A 13 59.497 -3.892 -13.286 1.00 1.00 H new ATOM 0 HB3 ALA A 13 57.867 -3.909 -12.574 1.00 1.00 H new ATOM 195 N THR A 14 58.610 -2.036 -9.809 1.00 1.00 N ATOM 196 CA THR A 14 57.776 -1.435 -8.732 1.00 1.00 C ATOM 197 C THR A 14 58.237 -1.986 -7.377 1.00 1.00 C ATOM 198 O THR A 14 58.398 -3.177 -7.200 1.00 1.00 O ATOM 199 CB THR A 14 56.291 -1.765 -8.993 1.00 1.00 C ATOM 200 OG1 THR A 14 55.556 -0.557 -9.125 1.00 1.00 O ATOM 201 CG2 THR A 14 55.734 -2.578 -7.823 1.00 1.00 C ATOM 0 H THR A 14 59.171 -1.373 -10.344 1.00 1.00 H new ATOM 0 HA THR A 14 57.889 -0.351 -8.722 1.00 1.00 H new ATOM 0 HB THR A 14 56.203 -2.347 -9.911 1.00 1.00 H new ATOM 0 HG1 THR A 14 54.613 -0.764 -9.293 1.00 1.00 H new ATOM 0 HG21 THR A 14 54.685 -2.811 -8.008 1.00 1.00 H new ATOM 0 HG22 THR A 14 56.299 -3.505 -7.722 1.00 1.00 H new ATOM 0 HG23 THR A 14 55.820 -1.999 -6.904 1.00 1.00 H new ATOM 209 N ARG A 15 58.456 -1.125 -6.422 1.00 1.00 N ATOM 210 CA ARG A 15 58.909 -1.595 -5.083 1.00 1.00 C ATOM 211 C ARG A 15 57.699 -2.076 -4.278 1.00 1.00 C ATOM 212 O ARG A 15 56.575 -2.012 -4.735 1.00 1.00 O ATOM 213 CB ARG A 15 59.589 -0.441 -4.344 1.00 1.00 C ATOM 214 CG ARG A 15 58.664 0.778 -4.340 1.00 1.00 C ATOM 215 CD ARG A 15 59.247 1.858 -3.427 1.00 1.00 C ATOM 216 NE ARG A 15 60.699 2.024 -3.718 1.00 1.00 N ATOM 217 CZ ARG A 15 61.395 2.922 -3.075 1.00 1.00 C ATOM 218 NH1 ARG A 15 60.819 3.673 -2.177 1.00 1.00 N ATOM 219 NH2 ARG A 15 62.667 3.067 -3.330 1.00 1.00 N ATOM 0 H ARG A 15 58.341 -0.115 -6.511 1.00 1.00 H new ATOM 0 HA ARG A 15 59.616 -2.416 -5.203 1.00 1.00 H new ATOM 0 HB2 ARG A 15 59.822 -0.737 -3.321 1.00 1.00 H new ATOM 0 HB3 ARG A 15 60.534 -0.192 -4.827 1.00 1.00 H new ATOM 0 HG2 ARG A 15 58.551 1.165 -5.353 1.00 1.00 H new ATOM 0 HG3 ARG A 15 57.670 0.493 -3.995 1.00 1.00 H new ATOM 0 HD2 ARG A 15 58.724 2.802 -3.582 1.00 1.00 H new ATOM 0 HD3 ARG A 15 59.104 1.582 -2.382 1.00 1.00 H new ATOM 0 HE ARG A 15 61.149 1.436 -4.420 1.00 1.00 H new ATOM 0 HH11 ARG A 15 59.825 3.558 -1.978 1.00 1.00 H new ATOM 0 HH12 ARG A 15 61.362 4.375 -1.674 1.00 1.00 H new ATOM 0 HH21 ARG A 15 63.117 2.479 -4.031 1.00 1.00 H new ATOM 0 HH22 ARG A 15 63.211 3.769 -2.828 1.00 1.00 H new ATOM 233 N VAL A 16 57.915 -2.558 -3.083 1.00 1.00 N ATOM 234 CA VAL A 16 56.770 -3.041 -2.257 1.00 1.00 C ATOM 235 C VAL A 16 57.054 -2.783 -0.776 1.00 1.00 C ATOM 236 O VAL A 16 56.206 -2.307 -0.047 1.00 1.00 O ATOM 237 CB VAL A 16 56.576 -4.542 -2.486 1.00 1.00 C ATOM 238 CG1 VAL A 16 56.336 -4.805 -3.974 1.00 1.00 C ATOM 239 CG2 VAL A 16 57.831 -5.292 -2.033 1.00 1.00 C ATOM 0 H VAL A 16 58.832 -2.638 -2.644 1.00 1.00 H new ATOM 0 HA VAL A 16 55.865 -2.506 -2.547 1.00 1.00 H new ATOM 0 HB VAL A 16 55.716 -4.889 -1.912 1.00 1.00 H new ATOM 0 HG11 VAL A 16 56.198 -5.874 -4.137 1.00 1.00 H new ATOM 0 HG12 VAL A 16 55.443 -4.270 -4.299 1.00 1.00 H new ATOM 0 HG13 VAL A 16 57.195 -4.459 -4.548 1.00 1.00 H new ATOM 0 HG21 VAL A 16 57.694 -6.361 -2.195 1.00 1.00 H new ATOM 0 HG22 VAL A 16 58.690 -4.944 -2.607 1.00 1.00 H new ATOM 0 HG23 VAL A 16 58.004 -5.105 -0.973 1.00 1.00 H new ATOM 249 N MET A 17 58.238 -3.096 -0.321 1.00 1.00 N ATOM 250 CA MET A 17 58.565 -2.869 1.116 1.00 1.00 C ATOM 251 C MET A 17 57.435 -3.433 1.985 1.00 1.00 C ATOM 252 O MET A 17 56.597 -4.178 1.517 1.00 1.00 O ATOM 253 CB MET A 17 58.720 -1.361 1.370 1.00 1.00 C ATOM 254 CG MET A 17 59.850 -1.124 2.374 1.00 1.00 C ATOM 255 SD MET A 17 60.073 0.655 2.623 1.00 1.00 S ATOM 256 CE MET A 17 61.435 0.879 1.452 1.00 1.00 C ATOM 0 H MET A 17 58.990 -3.498 -0.880 1.00 1.00 H new ATOM 0 HA MET A 17 59.498 -3.372 1.369 1.00 1.00 H new ATOM 0 HB2 MET A 17 58.936 -0.845 0.435 1.00 1.00 H new ATOM 0 HB3 MET A 17 57.787 -0.949 1.753 1.00 1.00 H new ATOM 0 HG2 MET A 17 59.616 -1.608 3.322 1.00 1.00 H new ATOM 0 HG3 MET A 17 60.775 -1.570 2.008 1.00 1.00 H new ATOM 0 HE1 MET A 17 61.979 1.791 1.697 1.00 1.00 H new ATOM 0 HE2 MET A 17 62.111 0.026 1.513 1.00 1.00 H new ATOM 0 HE3 MET A 17 61.036 0.955 0.440 1.00 1.00 H new ATOM 266 N GLY A 18 57.400 -3.085 3.243 1.00 1.00 N ATOM 267 CA GLY A 18 56.318 -3.606 4.130 1.00 1.00 C ATOM 268 C GLY A 18 56.847 -3.760 5.557 1.00 1.00 C ATOM 269 O GLY A 18 57.888 -4.345 5.784 1.00 1.00 O ATOM 0 H GLY A 18 58.071 -2.464 3.695 1.00 1.00 H new ATOM 0 HA2 GLY A 18 55.467 -2.925 4.119 1.00 1.00 H new ATOM 0 HA3 GLY A 18 55.962 -4.567 3.759 1.00 1.00 H new ATOM 273 N GLY A 19 56.135 -3.241 6.523 1.00 1.00 N ATOM 274 CA GLY A 19 56.593 -3.357 7.938 1.00 1.00 C ATOM 275 C GLY A 19 58.090 -3.049 8.022 1.00 1.00 C ATOM 276 O GLY A 19 58.895 -3.915 8.302 1.00 1.00 O ATOM 0 H GLY A 19 55.255 -2.741 6.392 1.00 1.00 H new ATOM 0 HA2 GLY A 19 56.034 -2.666 8.569 1.00 1.00 H new ATOM 0 HA3 GLY A 19 56.397 -4.362 8.313 1.00 1.00 H new ATOM 280 N PRO A 20 58.453 -1.820 7.777 1.00 1.00 N ATOM 281 CA PRO A 20 59.876 -1.373 7.817 1.00 1.00 C ATOM 282 C PRO A 20 60.603 -1.860 9.077 1.00 1.00 C ATOM 283 O PRO A 20 60.675 -1.167 10.072 1.00 1.00 O ATOM 284 CB PRO A 20 59.776 0.156 7.804 1.00 1.00 C ATOM 285 CG PRO A 20 58.476 0.459 7.136 1.00 1.00 C ATOM 286 CD PRO A 20 57.542 -0.716 7.433 1.00 1.00 C ATOM 0 HA PRO A 20 60.453 -1.776 6.985 1.00 1.00 H new ATOM 0 HB2 PRO A 20 59.802 0.561 8.816 1.00 1.00 H new ATOM 0 HB3 PRO A 20 60.610 0.600 7.261 1.00 1.00 H new ATOM 0 HG2 PRO A 20 58.056 1.392 7.513 1.00 1.00 H new ATOM 0 HG3 PRO A 20 58.613 0.582 6.062 1.00 1.00 H new ATOM 0 HD2 PRO A 20 56.863 -0.488 8.255 1.00 1.00 H new ATOM 0 HD3 PRO A 20 56.925 -0.963 6.569 1.00 1.00 H new ATOM 294 N CYS A 21 61.143 -3.048 9.041 1.00 1.00 N ATOM 295 CA CYS A 21 61.862 -3.574 10.236 1.00 1.00 C ATOM 296 C CYS A 21 63.139 -2.760 10.458 1.00 1.00 C ATOM 297 O CYS A 21 64.171 -3.037 9.880 1.00 1.00 O ATOM 298 CB CYS A 21 62.231 -5.040 10.000 1.00 1.00 C ATOM 299 SG CYS A 21 62.938 -5.224 8.344 1.00 1.00 S ATOM 0 H CYS A 21 61.117 -3.676 8.237 1.00 1.00 H new ATOM 0 HA CYS A 21 61.220 -3.495 11.113 1.00 1.00 H new ATOM 0 HB2 CYS A 21 62.947 -5.372 10.752 1.00 1.00 H new ATOM 0 HB3 CYS A 21 61.347 -5.670 10.102 1.00 1.00 H new ATOM 304 N THR A 22 63.078 -1.760 11.295 1.00 1.00 N ATOM 305 CA THR A 22 64.290 -0.931 11.555 1.00 1.00 C ATOM 306 C THR A 22 64.286 -0.474 13.025 1.00 1.00 C ATOM 307 O THR A 22 63.342 -0.721 13.748 1.00 1.00 O ATOM 308 CB THR A 22 64.280 0.268 10.599 1.00 1.00 C ATOM 309 OG1 THR A 22 65.616 0.617 10.266 1.00 1.00 O ATOM 310 CG2 THR A 22 63.593 1.456 11.274 1.00 1.00 C ATOM 0 H THR A 22 62.243 -1.481 11.809 1.00 1.00 H new ATOM 0 HA THR A 22 65.198 -1.509 11.381 1.00 1.00 H new ATOM 0 HB THR A 22 63.736 0.005 9.692 1.00 1.00 H new ATOM 0 HG1 THR A 22 65.700 1.593 10.228 1.00 1.00 H new ATOM 0 HG21 THR A 22 63.587 2.307 10.593 1.00 1.00 H new ATOM 0 HG22 THR A 22 62.568 1.187 11.528 1.00 1.00 H new ATOM 0 HG23 THR A 22 64.134 1.721 12.182 1.00 1.00 H new ATOM 318 N PRO A 23 65.334 0.183 13.467 1.00 1.00 N ATOM 319 CA PRO A 23 65.445 0.669 14.872 1.00 1.00 C ATOM 320 C PRO A 23 64.664 1.968 15.156 1.00 1.00 C ATOM 321 O PRO A 23 64.185 2.167 16.255 1.00 1.00 O ATOM 322 CB PRO A 23 66.955 0.909 15.074 1.00 1.00 C ATOM 323 CG PRO A 23 67.621 0.607 13.766 1.00 1.00 C ATOM 324 CD PRO A 23 66.530 0.529 12.694 1.00 1.00 C ATOM 0 HA PRO A 23 65.012 -0.062 15.555 1.00 1.00 H new ATOM 0 HB2 PRO A 23 67.146 1.939 15.376 1.00 1.00 H new ATOM 0 HB3 PRO A 23 67.346 0.268 15.864 1.00 1.00 H new ATOM 0 HG2 PRO A 23 68.346 1.382 13.518 1.00 1.00 H new ATOM 0 HG3 PRO A 23 68.168 -0.334 13.824 1.00 1.00 H new ATOM 0 HD2 PRO A 23 66.411 1.477 12.169 1.00 1.00 H new ATOM 0 HD3 PRO A 23 66.757 -0.226 11.941 1.00 1.00 H new ATOM 332 N ARG A 24 64.551 2.872 14.209 1.00 1.00 N ATOM 333 CA ARG A 24 63.822 4.149 14.509 1.00 1.00 C ATOM 334 C ARG A 24 63.110 4.712 13.265 1.00 1.00 C ATOM 335 O ARG A 24 62.373 5.672 13.357 1.00 1.00 O ATOM 336 CB ARG A 24 64.842 5.174 15.027 1.00 1.00 C ATOM 337 CG ARG A 24 64.157 6.526 15.235 1.00 1.00 C ATOM 338 CD ARG A 24 62.951 6.351 16.160 1.00 1.00 C ATOM 339 NE ARG A 24 62.522 7.682 16.674 1.00 1.00 N ATOM 340 CZ ARG A 24 61.984 8.552 15.863 1.00 1.00 C ATOM 341 NH1 ARG A 24 61.822 8.256 14.603 1.00 1.00 N ATOM 342 NH2 ARG A 24 61.608 9.718 16.313 1.00 1.00 N ATOM 0 H ARG A 24 64.922 2.786 13.263 1.00 1.00 H new ATOM 0 HA ARG A 24 63.055 3.946 15.257 1.00 1.00 H new ATOM 0 HB2 ARG A 24 65.276 4.827 15.965 1.00 1.00 H new ATOM 0 HB3 ARG A 24 65.662 5.277 14.316 1.00 1.00 H new ATOM 0 HG2 ARG A 24 64.859 7.239 15.667 1.00 1.00 H new ATOM 0 HG3 ARG A 24 63.837 6.935 14.276 1.00 1.00 H new ATOM 0 HD2 ARG A 24 62.131 5.876 15.621 1.00 1.00 H new ATOM 0 HD3 ARG A 24 63.209 5.694 16.991 1.00 1.00 H new ATOM 0 HE ARG A 24 62.649 7.913 17.659 1.00 1.00 H new ATOM 0 HH11 ARG A 24 62.116 7.345 14.251 1.00 1.00 H new ATOM 0 HH12 ARG A 24 61.402 8.936 13.969 1.00 1.00 H new ATOM 0 HH21 ARG A 24 61.735 9.949 17.298 1.00 1.00 H new ATOM 0 HH22 ARG A 24 61.188 10.398 15.679 1.00 1.00 H new ATOM 356 N LYS A 25 63.309 4.143 12.108 1.00 1.00 N ATOM 357 CA LYS A 25 62.620 4.688 10.894 1.00 1.00 C ATOM 358 C LYS A 25 62.999 6.162 10.717 1.00 1.00 C ATOM 359 O LYS A 25 63.558 6.783 11.600 1.00 1.00 O ATOM 360 CB LYS A 25 61.092 4.567 11.064 1.00 1.00 C ATOM 361 CG LYS A 25 60.589 3.316 10.341 1.00 1.00 C ATOM 362 CD LYS A 25 59.437 2.696 11.133 1.00 1.00 C ATOM 363 CE LYS A 25 58.295 3.708 11.250 1.00 1.00 C ATOM 364 NZ LYS A 25 57.888 4.158 9.889 1.00 1.00 N ATOM 0 H LYS A 25 63.910 3.335 11.947 1.00 1.00 H new ATOM 0 HA LYS A 25 62.929 4.121 10.016 1.00 1.00 H new ATOM 0 HB2 LYS A 25 60.837 4.514 12.123 1.00 1.00 H new ATOM 0 HB3 LYS A 25 60.601 5.453 10.662 1.00 1.00 H new ATOM 0 HG2 LYS A 25 60.256 3.574 9.336 1.00 1.00 H new ATOM 0 HG3 LYS A 25 61.399 2.595 10.233 1.00 1.00 H new ATOM 0 HD2 LYS A 25 59.086 1.791 10.637 1.00 1.00 H new ATOM 0 HD3 LYS A 25 59.780 2.403 12.125 1.00 1.00 H new ATOM 0 HE2 LYS A 25 57.446 3.257 11.764 1.00 1.00 H new ATOM 0 HE3 LYS A 25 58.612 4.563 11.847 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 56.867 4.354 9.879 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 58.409 5.023 9.639 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 58.104 3.412 9.198 1.00 1.00 H new ATOM 378 N GLY A 26 62.695 6.722 9.579 1.00 1.00 N ATOM 379 CA GLY A 26 63.029 8.152 9.329 1.00 1.00 C ATOM 380 C GLY A 26 62.492 8.557 7.949 1.00 1.00 C ATOM 381 O GLY A 26 62.616 7.813 6.996 1.00 1.00 O ATOM 0 H GLY A 26 62.227 6.247 8.807 1.00 1.00 H new ATOM 0 HA2 GLY A 26 62.591 8.782 10.103 1.00 1.00 H new ATOM 0 HA3 GLY A 26 64.108 8.299 9.371 1.00 1.00 H new ATOM 385 N PRO A 27 61.898 9.720 7.834 1.00 1.00 N ATOM 386 CA PRO A 27 61.339 10.204 6.536 1.00 1.00 C ATOM 387 C PRO A 27 62.352 10.079 5.384 1.00 1.00 C ATOM 388 O PRO A 27 63.420 10.656 5.436 1.00 1.00 O ATOM 389 CB PRO A 27 61.024 11.681 6.802 1.00 1.00 C ATOM 390 CG PRO A 27 60.833 11.786 8.280 1.00 1.00 C ATOM 391 CD PRO A 27 61.695 10.694 8.919 1.00 1.00 C ATOM 0 HA PRO A 27 60.472 9.619 6.228 1.00 1.00 H new ATOM 0 HB2 PRO A 27 61.837 12.323 6.464 1.00 1.00 H new ATOM 0 HB3 PRO A 27 60.128 11.994 6.267 1.00 1.00 H new ATOM 0 HG2 PRO A 27 61.130 12.772 8.639 1.00 1.00 H new ATOM 0 HG3 PRO A 27 59.784 11.654 8.544 1.00 1.00 H new ATOM 0 HD2 PRO A 27 62.643 11.094 9.279 1.00 1.00 H new ATOM 0 HD3 PRO A 27 61.195 10.240 9.774 1.00 1.00 H new ATOM 399 N PRO A 28 62.022 9.347 4.345 1.00 1.00 N ATOM 400 CA PRO A 28 62.930 9.177 3.173 1.00 1.00 C ATOM 401 C PRO A 28 63.481 10.519 2.683 1.00 1.00 C ATOM 402 O PRO A 28 62.747 11.471 2.504 1.00 1.00 O ATOM 403 CB PRO A 28 62.035 8.540 2.106 1.00 1.00 C ATOM 404 CG PRO A 28 60.969 7.826 2.870 1.00 1.00 C ATOM 405 CD PRO A 28 60.762 8.606 4.173 1.00 1.00 C ATOM 0 HA PRO A 28 63.805 8.574 3.416 1.00 1.00 H new ATOM 0 HB2 PRO A 28 61.609 9.296 1.446 1.00 1.00 H new ATOM 0 HB3 PRO A 28 62.599 7.851 1.478 1.00 1.00 H new ATOM 0 HG2 PRO A 28 60.044 7.782 2.295 1.00 1.00 H new ATOM 0 HG3 PRO A 28 61.265 6.798 3.078 1.00 1.00 H new ATOM 0 HD2 PRO A 28 59.908 9.280 4.104 1.00 1.00 H new ATOM 0 HD3 PRO A 28 60.573 7.938 5.013 1.00 1.00 H new ATOM 413 N LYS A 29 64.764 10.608 2.470 1.00 1.00 N ATOM 414 CA LYS A 29 65.345 11.896 2.000 1.00 1.00 C ATOM 415 C LYS A 29 66.667 11.631 1.275 1.00 1.00 C ATOM 416 O LYS A 29 66.776 10.725 0.473 1.00 1.00 O ATOM 417 CB LYS A 29 65.587 12.807 3.208 1.00 1.00 C ATOM 418 CG LYS A 29 65.558 14.270 2.760 1.00 1.00 C ATOM 419 CD LYS A 29 65.828 15.177 3.962 1.00 1.00 C ATOM 420 CE LYS A 29 65.693 16.641 3.537 1.00 1.00 C ATOM 421 NZ LYS A 29 65.583 17.501 4.749 1.00 1.00 N ATOM 0 H LYS A 29 65.433 9.849 2.600 1.00 1.00 H new ATOM 0 HA LYS A 29 64.654 12.381 1.310 1.00 1.00 H new ATOM 0 HB2 LYS A 29 64.824 12.633 3.966 1.00 1.00 H new ATOM 0 HB3 LYS A 29 66.549 12.575 3.665 1.00 1.00 H new ATOM 0 HG2 LYS A 29 66.308 14.440 1.987 1.00 1.00 H new ATOM 0 HG3 LYS A 29 64.589 14.508 2.322 1.00 1.00 H new ATOM 0 HD2 LYS A 29 65.125 14.954 4.765 1.00 1.00 H new ATOM 0 HD3 LYS A 29 66.828 14.992 4.354 1.00 1.00 H new ATOM 0 HE2 LYS A 29 66.557 16.940 2.943 1.00 1.00 H new ATOM 0 HE3 LYS A 29 64.813 16.768 2.906 1.00 1.00 H new ATOM 435 N CYS A 30 67.670 12.419 1.547 1.00 1.00 N ATOM 436 CA CYS A 30 68.980 12.215 0.869 1.00 1.00 C ATOM 437 C CYS A 30 68.750 12.051 -0.635 1.00 1.00 C ATOM 438 O CYS A 30 67.656 12.246 -1.128 1.00 1.00 O ATOM 439 CB CYS A 30 69.653 10.954 1.426 1.00 1.00 C ATOM 440 SG CYS A 30 70.975 11.430 2.567 1.00 1.00 S ATOM 0 H CYS A 30 67.639 13.195 2.209 1.00 1.00 H new ATOM 0 HA CYS A 30 69.623 13.077 1.048 1.00 1.00 H new ATOM 0 HB2 CYS A 30 68.919 10.334 1.941 1.00 1.00 H new ATOM 0 HB3 CYS A 30 70.060 10.355 0.611 1.00 1.00 H new ATOM 445 N LYS A 31 69.771 11.690 -1.366 1.00 1.00 N ATOM 446 CA LYS A 31 69.616 11.504 -2.839 1.00 1.00 C ATOM 447 C LYS A 31 69.890 10.038 -3.186 1.00 1.00 C ATOM 448 O LYS A 31 70.914 9.488 -2.832 1.00 1.00 O ATOM 449 CB LYS A 31 70.618 12.407 -3.577 1.00 1.00 C ATOM 450 CG LYS A 31 69.913 13.683 -4.041 1.00 1.00 C ATOM 451 CD LYS A 31 69.578 14.552 -2.827 1.00 1.00 C ATOM 452 CE LYS A 31 69.073 15.917 -3.300 1.00 1.00 C ATOM 453 NZ LYS A 31 67.667 15.788 -3.776 1.00 1.00 N ATOM 0 H LYS A 31 70.709 11.515 -1.005 1.00 1.00 H new ATOM 0 HA LYS A 31 68.603 11.770 -3.143 1.00 1.00 H new ATOM 0 HB2 LYS A 31 71.450 12.658 -2.919 1.00 1.00 H new ATOM 0 HB3 LYS A 31 71.037 11.879 -4.434 1.00 1.00 H new ATOM 0 HG2 LYS A 31 70.552 14.234 -4.731 1.00 1.00 H new ATOM 0 HG3 LYS A 31 69.002 13.431 -4.584 1.00 1.00 H new ATOM 0 HD2 LYS A 31 68.819 14.064 -2.215 1.00 1.00 H new ATOM 0 HD3 LYS A 31 70.461 14.676 -2.201 1.00 1.00 H new ATOM 0 HE2 LYS A 31 69.128 16.639 -2.485 1.00 1.00 H new ATOM 0 HE3 LYS A 31 69.707 16.293 -4.103 1.00 1.00 H new ATOM 0 HZ1 LYS A 31 67.323 16.715 -4.098 1.00 1.00 H new ATOM 0 HZ2 LYS A 31 67.628 15.112 -4.565 1.00 1.00 H new ATOM 0 HZ3 LYS A 31 67.067 15.447 -2.998 1.00 1.00 H new ATOM 467 N GLN A 32 68.980 9.403 -3.874 1.00 1.00 N ATOM 468 CA GLN A 32 69.181 7.972 -4.246 1.00 1.00 C ATOM 469 C GLN A 32 68.723 7.754 -5.688 1.00 1.00 C ATOM 470 O GLN A 32 67.626 7.296 -5.940 1.00 1.00 O ATOM 471 CB GLN A 32 68.358 7.079 -3.312 1.00 1.00 C ATOM 472 CG GLN A 32 68.814 7.287 -1.866 1.00 1.00 C ATOM 473 CD GLN A 32 67.989 8.405 -1.226 1.00 1.00 C ATOM 474 OE1 GLN A 32 67.605 9.348 -1.889 1.00 1.00 O ATOM 475 NE2 GLN A 32 67.699 8.340 0.044 1.00 1.00 N ATOM 0 H GLN A 32 68.104 9.814 -4.195 1.00 1.00 H new ATOM 0 HA GLN A 32 70.237 7.718 -4.154 1.00 1.00 H new ATOM 0 HB2 GLN A 32 67.298 7.316 -3.407 1.00 1.00 H new ATOM 0 HB3 GLN A 32 68.477 6.033 -3.594 1.00 1.00 H new ATOM 0 HG2 GLN A 32 68.695 6.363 -1.300 1.00 1.00 H new ATOM 0 HG3 GLN A 32 69.873 7.542 -1.841 1.00 1.00 H new ATOM 0 HE21 GLN A 32 68.021 7.548 0.601 1.00 1.00 H new ATOM 0 HE22 GLN A 32 67.150 9.081 0.480 1.00 1.00 H new ATOM 484 N ARG A 33 69.556 8.078 -6.639 1.00 1.00 N ATOM 485 CA ARG A 33 69.166 7.887 -8.064 1.00 1.00 C ATOM 486 C ARG A 33 69.329 6.412 -8.439 1.00 1.00 C ATOM 487 O ARG A 33 68.662 5.549 -7.902 1.00 1.00 O ATOM 488 CB ARG A 33 70.063 8.745 -8.963 1.00 1.00 C ATOM 489 CG ARG A 33 69.814 10.227 -8.677 1.00 1.00 C ATOM 490 CD ARG A 33 70.732 10.690 -7.543 1.00 1.00 C ATOM 491 NE ARG A 33 70.696 12.176 -7.451 1.00 1.00 N ATOM 492 CZ ARG A 33 69.618 12.779 -7.031 1.00 1.00 C ATOM 493 NH1 ARG A 33 68.570 12.078 -6.691 1.00 1.00 N ATOM 494 NH2 ARG A 33 69.587 14.081 -6.950 1.00 1.00 N ATOM 0 H ARG A 33 70.488 8.466 -6.491 1.00 1.00 H new ATOM 0 HA ARG A 33 68.127 8.187 -8.200 1.00 1.00 H new ATOM 0 HB2 ARG A 33 71.111 8.502 -8.786 1.00 1.00 H new ATOM 0 HB3 ARG A 33 69.858 8.528 -10.011 1.00 1.00 H new ATOM 0 HG2 ARG A 33 70.000 10.818 -9.574 1.00 1.00 H new ATOM 0 HG3 ARG A 33 68.771 10.385 -8.402 1.00 1.00 H new ATOM 0 HD2 ARG A 33 70.413 10.249 -6.599 1.00 1.00 H new ATOM 0 HD3 ARG A 33 71.752 10.351 -7.725 1.00 1.00 H new ATOM 0 HE ARG A 33 71.515 12.723 -7.717 1.00 1.00 H new ATOM 0 HH11 ARG A 33 68.595 11.060 -6.754 1.00 1.00 H new ATOM 0 HH12 ARG A 33 67.727 12.548 -6.362 1.00 1.00 H new ATOM 0 HH21 ARG A 33 70.406 14.628 -7.215 1.00 1.00 H new ATOM 0 HH22 ARG A 33 68.744 14.552 -6.622 1.00 1.00 H new ATOM 508 N GLN A 34 70.212 6.117 -9.358 1.00 1.00 N ATOM 509 CA GLN A 34 70.426 4.699 -9.777 1.00 1.00 C ATOM 510 C GLN A 34 71.860 4.283 -9.440 1.00 1.00 C ATOM 511 O GLN A 34 72.575 3.759 -10.271 1.00 1.00 O ATOM 512 CB GLN A 34 70.201 4.581 -11.286 1.00 1.00 C ATOM 513 CG GLN A 34 70.026 3.109 -11.663 1.00 1.00 C ATOM 514 CD GLN A 34 69.808 2.991 -13.173 1.00 1.00 C ATOM 515 OE1 GLN A 34 70.155 3.883 -13.920 1.00 1.00 O ATOM 516 NE2 GLN A 34 69.243 1.918 -13.657 1.00 1.00 N ATOM 0 H GLN A 34 70.797 6.801 -9.839 1.00 1.00 H new ATOM 0 HA GLN A 34 69.726 4.049 -9.251 1.00 1.00 H new ATOM 0 HB2 GLN A 34 69.318 5.150 -11.578 1.00 1.00 H new ATOM 0 HB3 GLN A 34 71.047 5.007 -11.825 1.00 1.00 H new ATOM 0 HG2 GLN A 34 70.907 2.540 -11.366 1.00 1.00 H new ATOM 0 HG3 GLN A 34 69.177 2.684 -11.128 1.00 1.00 H new ATOM 0 HE21 GLN A 34 68.951 1.168 -13.030 1.00 1.00 H new ATOM 0 HE22 GLN A 34 69.093 1.830 -14.662 1.00 1.00 H new ATOM 525 N THR A 35 72.288 4.515 -8.229 1.00 1.00 N ATOM 526 CA THR A 35 73.678 4.137 -7.841 1.00 1.00 C ATOM 527 C THR A 35 74.669 4.746 -8.837 1.00 1.00 C ATOM 528 O THR A 35 75.860 4.519 -8.761 1.00 1.00 O ATOM 529 CB THR A 35 73.816 2.611 -7.848 1.00 1.00 C ATOM 530 OG1 THR A 35 74.114 2.171 -9.165 1.00 1.00 O ATOM 531 CG2 THR A 35 72.506 1.976 -7.379 1.00 1.00 C ATOM 0 H THR A 35 71.735 4.950 -7.491 1.00 1.00 H new ATOM 0 HA THR A 35 73.891 4.514 -6.841 1.00 1.00 H new ATOM 0 HB THR A 35 74.621 2.315 -7.175 1.00 1.00 H new ATOM 0 HG1 THR A 35 73.370 2.396 -9.761 1.00 1.00 H new ATOM 0 HG21 THR A 35 72.605 0.891 -7.384 1.00 1.00 H new ATOM 0 HG22 THR A 35 72.279 2.315 -6.368 1.00 1.00 H new ATOM 0 HG23 THR A 35 71.699 2.270 -8.050 1.00 1.00 H new ATOM 539 N ARG A 36 74.182 5.523 -9.769 1.00 1.00 N ATOM 540 CA ARG A 36 75.080 6.158 -10.777 1.00 1.00 C ATOM 541 C ARG A 36 76.119 5.139 -11.260 1.00 1.00 C ATOM 542 O ARG A 36 77.296 5.422 -11.340 1.00 1.00 O ATOM 543 CB ARG A 36 75.777 7.371 -10.137 1.00 1.00 C ATOM 544 CG ARG A 36 76.723 8.022 -11.148 1.00 1.00 C ATOM 545 CD ARG A 36 76.062 8.039 -12.528 1.00 1.00 C ATOM 546 NE ARG A 36 74.679 8.581 -12.410 1.00 1.00 N ATOM 547 CZ ARG A 36 74.064 9.035 -13.467 1.00 1.00 C ATOM 548 NH1 ARG A 36 74.659 9.016 -14.628 1.00 1.00 N ATOM 549 NH2 ARG A 36 72.852 9.509 -13.363 1.00 1.00 N ATOM 0 H ARG A 36 73.192 5.746 -9.875 1.00 1.00 H new ATOM 0 HA ARG A 36 74.496 6.491 -11.635 1.00 1.00 H new ATOM 0 HB2 ARG A 36 75.033 8.095 -9.804 1.00 1.00 H new ATOM 0 HB3 ARG A 36 76.334 7.057 -9.254 1.00 1.00 H new ATOM 0 HG2 ARG A 36 76.963 9.038 -10.835 1.00 1.00 H new ATOM 0 HG3 ARG A 36 77.663 7.471 -11.190 1.00 1.00 H new ATOM 0 HD2 ARG A 36 76.646 8.651 -13.215 1.00 1.00 H new ATOM 0 HD3 ARG A 36 76.035 7.031 -12.942 1.00 1.00 H new ATOM 0 HE ARG A 36 74.213 8.597 -11.503 1.00 1.00 H new ATOM 0 HH11 ARG A 36 75.606 8.646 -14.710 1.00 1.00 H new ATOM 0 HH12 ARG A 36 74.177 9.371 -15.454 1.00 1.00 H new ATOM 0 HH21 ARG A 36 72.386 9.524 -12.456 1.00 1.00 H new ATOM 0 HH22 ARG A 36 72.371 9.864 -14.189 1.00 1.00 H new ATOM 563 N GLN A 37 75.689 3.951 -11.588 1.00 1.00 N ATOM 564 CA GLN A 37 76.650 2.918 -12.069 1.00 1.00 C ATOM 565 C GLN A 37 77.778 2.755 -11.046 1.00 1.00 C ATOM 566 O GLN A 37 77.913 3.536 -10.125 1.00 1.00 O ATOM 567 CB GLN A 37 77.238 3.362 -13.416 1.00 1.00 C ATOM 568 CG GLN A 37 77.781 2.146 -14.169 1.00 1.00 C ATOM 569 CD GLN A 37 79.167 2.469 -14.730 1.00 1.00 C ATOM 570 OE1 GLN A 37 79.382 2.405 -15.925 1.00 1.00 O ATOM 571 NE2 GLN A 37 80.123 2.817 -13.913 1.00 1.00 N ATOM 0 H GLN A 37 74.715 3.651 -11.544 1.00 1.00 H new ATOM 0 HA GLN A 37 76.134 1.966 -12.192 1.00 1.00 H new ATOM 0 HB2 GLN A 37 76.472 3.858 -14.012 1.00 1.00 H new ATOM 0 HB3 GLN A 37 78.036 4.087 -13.254 1.00 1.00 H new ATOM 0 HG2 GLN A 37 77.839 1.287 -13.500 1.00 1.00 H new ATOM 0 HG3 GLN A 37 77.104 1.874 -14.979 1.00 1.00 H new ATOM 0 HE21 GLN A 37 79.943 2.871 -12.910 1.00 1.00 H new ATOM 0 HE22 GLN A 37 81.051 3.035 -14.277 1.00 1.00 H new ATOM 580 N CYS A 38 78.589 1.745 -11.200 1.00 1.00 N ATOM 581 CA CYS A 38 79.708 1.534 -10.239 1.00 1.00 C ATOM 582 C CYS A 38 80.665 0.480 -10.799 1.00 1.00 C ATOM 583 O CYS A 38 80.252 -0.576 -11.236 1.00 1.00 O ATOM 584 CB CYS A 38 79.144 1.055 -8.899 1.00 1.00 C ATOM 585 SG CYS A 38 80.482 0.367 -7.893 1.00 1.00 S ATOM 0 H CYS A 38 78.525 1.057 -11.950 1.00 1.00 H new ATOM 0 HA CYS A 38 80.246 2.471 -10.091 1.00 1.00 H new ATOM 0 HB2 CYS A 38 78.670 1.884 -8.374 1.00 1.00 H new ATOM 0 HB3 CYS A 38 78.375 0.301 -9.065 1.00 1.00 H new ATOM 590 N LYS A 39 81.940 0.756 -10.791 1.00 1.00 N ATOM 591 CA LYS A 39 82.917 -0.233 -11.325 1.00 1.00 C ATOM 592 C LYS A 39 82.630 -1.609 -10.718 1.00 1.00 C ATOM 593 O LYS A 39 82.628 -1.779 -9.515 1.00 1.00 O ATOM 594 CB LYS A 39 84.339 0.201 -10.958 1.00 1.00 C ATOM 595 CG LYS A 39 85.342 -0.522 -11.859 1.00 1.00 C ATOM 596 CD LYS A 39 86.765 -0.111 -11.472 1.00 1.00 C ATOM 597 CE LYS A 39 87.294 -1.059 -10.393 1.00 1.00 C ATOM 598 NZ LYS A 39 87.461 -2.423 -10.969 1.00 1.00 N ATOM 0 H LYS A 39 82.347 1.622 -10.438 1.00 1.00 H new ATOM 0 HA LYS A 39 82.824 -0.286 -12.410 1.00 1.00 H new ATOM 0 HB2 LYS A 39 84.442 1.280 -11.073 1.00 1.00 H new ATOM 0 HB3 LYS A 39 84.542 -0.029 -9.912 1.00 1.00 H new ATOM 0 HG2 LYS A 39 85.224 -1.601 -11.760 1.00 1.00 H new ATOM 0 HG3 LYS A 39 85.152 -0.275 -12.904 1.00 1.00 H new ATOM 0 HD2 LYS A 39 87.414 -0.140 -12.347 1.00 1.00 H new ATOM 0 HD3 LYS A 39 86.771 0.915 -11.105 1.00 1.00 H new ATOM 0 HE2 LYS A 39 88.247 -0.695 -10.010 1.00 1.00 H new ATOM 0 HE3 LYS A 39 86.603 -1.090 -9.551 1.00 1.00 H new ATOM 0 HZ1 LYS A 39 88.215 -2.926 -10.458 1.00 1.00 H new ATOM 0 HZ2 LYS A 39 86.569 -2.950 -10.877 1.00 1.00 H new ATOM 0 HZ3 LYS A 39 87.716 -2.346 -11.974 1.00 1.00 H new ATOM 612 N SER A 40 82.387 -2.590 -11.542 1.00 1.00 N ATOM 613 CA SER A 40 82.099 -3.953 -11.014 1.00 1.00 C ATOM 614 C SER A 40 83.384 -4.569 -10.457 1.00 1.00 C ATOM 615 O SER A 40 83.478 -4.878 -9.286 1.00 1.00 O ATOM 616 CB SER A 40 81.559 -4.832 -12.142 1.00 1.00 C ATOM 617 OG SER A 40 82.639 -5.264 -12.959 1.00 1.00 O ATOM 0 H SER A 40 82.375 -2.507 -12.559 1.00 1.00 H new ATOM 0 HA SER A 40 81.357 -3.884 -10.219 1.00 1.00 H new ATOM 0 HB2 SER A 40 81.034 -5.693 -11.728 1.00 1.00 H new ATOM 0 HB3 SER A 40 80.837 -4.275 -12.739 1.00 1.00 H new ATOM 0 HG SER A 40 82.296 -5.829 -13.682 1.00 1.00 H new ATOM 623 N LYS A 41 84.376 -4.752 -11.287 1.00 1.00 N ATOM 624 CA LYS A 41 85.651 -5.351 -10.799 1.00 1.00 C ATOM 625 C LYS A 41 86.096 -4.620 -9.525 1.00 1.00 C ATOM 626 O LYS A 41 85.760 -3.471 -9.315 1.00 1.00 O ATOM 627 CB LYS A 41 86.731 -5.207 -11.881 1.00 1.00 C ATOM 628 CG LYS A 41 86.764 -6.471 -12.743 1.00 1.00 C ATOM 629 CD LYS A 41 85.419 -6.639 -13.454 1.00 1.00 C ATOM 630 CE LYS A 41 85.506 -7.804 -14.441 1.00 1.00 C ATOM 631 NZ LYS A 41 86.131 -8.979 -13.770 1.00 1.00 N ATOM 0 H LYS A 41 84.359 -4.513 -12.279 1.00 1.00 H new ATOM 0 HA LYS A 41 85.501 -6.408 -10.579 1.00 1.00 H new ATOM 0 HB2 LYS A 41 86.524 -4.336 -12.503 1.00 1.00 H new ATOM 0 HB3 LYS A 41 87.704 -5.044 -11.418 1.00 1.00 H new ATOM 0 HG2 LYS A 41 87.569 -6.404 -13.475 1.00 1.00 H new ATOM 0 HG3 LYS A 41 86.970 -7.342 -12.122 1.00 1.00 H new ATOM 0 HD2 LYS A 41 84.631 -6.825 -12.725 1.00 1.00 H new ATOM 0 HD3 LYS A 41 85.157 -5.721 -13.980 1.00 1.00 H new ATOM 0 HE2 LYS A 41 84.511 -8.064 -14.801 1.00 1.00 H new ATOM 0 HE3 LYS A 41 86.094 -7.514 -15.312 1.00 1.00 H new ATOM 0 HZ1 LYS A 41 85.878 -9.847 -14.284 1.00 1.00 H new ATOM 0 HZ2 LYS A 41 87.165 -8.867 -13.766 1.00 1.00 H new ATOM 0 HZ3 LYS A 41 85.786 -9.044 -12.791 1.00 1.00 H new ATOM 645 N PRO A 42 86.849 -5.281 -8.683 1.00 1.00 N ATOM 646 CA PRO A 42 87.349 -4.682 -7.412 1.00 1.00 C ATOM 647 C PRO A 42 88.479 -3.673 -7.656 1.00 1.00 C ATOM 648 O PRO A 42 89.116 -3.686 -8.691 1.00 1.00 O ATOM 649 CB PRO A 42 87.869 -5.890 -6.627 1.00 1.00 C ATOM 650 CG PRO A 42 88.254 -6.889 -7.667 1.00 1.00 C ATOM 651 CD PRO A 42 87.309 -6.669 -8.851 1.00 1.00 C ATOM 0 HA PRO A 42 86.573 -4.123 -6.889 1.00 1.00 H new ATOM 0 HB2 PRO A 42 88.722 -5.619 -6.005 1.00 1.00 H new ATOM 0 HB3 PRO A 42 87.103 -6.288 -5.962 1.00 1.00 H new ATOM 0 HG2 PRO A 42 89.293 -6.754 -7.969 1.00 1.00 H new ATOM 0 HG3 PRO A 42 88.164 -7.905 -7.282 1.00 1.00 H new ATOM 0 HD2 PRO A 42 87.822 -6.808 -9.803 1.00 1.00 H new ATOM 0 HD3 PRO A 42 86.476 -7.371 -8.833 1.00 1.00 H new ATOM 659 N PRO A 43 88.726 -2.808 -6.707 1.00 1.00 N ATOM 660 CA PRO A 43 89.800 -1.779 -6.818 1.00 1.00 C ATOM 661 C PRO A 43 91.200 -2.395 -6.711 1.00 1.00 C ATOM 662 O PRO A 43 91.368 -3.494 -6.221 1.00 1.00 O ATOM 663 CB PRO A 43 89.530 -0.843 -5.635 1.00 1.00 C ATOM 664 CG PRO A 43 88.807 -1.679 -4.632 1.00 1.00 C ATOM 665 CD PRO A 43 88.011 -2.718 -5.424 1.00 1.00 C ATOM 0 HA PRO A 43 89.782 -1.272 -7.783 1.00 1.00 H new ATOM 0 HB2 PRO A 43 90.460 -0.450 -5.223 1.00 1.00 H new ATOM 0 HB3 PRO A 43 88.929 0.014 -5.940 1.00 1.00 H new ATOM 0 HG2 PRO A 43 89.509 -2.163 -3.953 1.00 1.00 H new ATOM 0 HG3 PRO A 43 88.144 -1.066 -4.021 1.00 1.00 H new ATOM 0 HD2 PRO A 43 87.988 -3.680 -4.911 1.00 1.00 H new ATOM 0 HD3 PRO A 43 86.976 -2.406 -5.564 1.00 1.00 H new ATOM 673 N LYS A 44 92.204 -1.697 -7.167 1.00 1.00 N ATOM 674 CA LYS A 44 93.587 -2.247 -7.090 1.00 1.00 C ATOM 675 C LYS A 44 93.863 -2.731 -5.663 1.00 1.00 C ATOM 676 O LYS A 44 93.738 -3.902 -5.362 1.00 1.00 O ATOM 677 CB LYS A 44 94.600 -1.159 -7.476 1.00 1.00 C ATOM 678 CG LYS A 44 94.016 0.220 -7.161 1.00 1.00 C ATOM 679 CD LYS A 44 95.108 1.282 -7.308 1.00 1.00 C ATOM 680 CE LYS A 44 95.208 1.713 -8.772 1.00 1.00 C ATOM 681 NZ LYS A 44 96.489 2.444 -8.988 1.00 1.00 N ATOM 0 H LYS A 44 92.127 -0.771 -7.589 1.00 1.00 H new ATOM 0 HA LYS A 44 93.684 -3.084 -7.781 1.00 1.00 H new ATOM 0 HB2 LYS A 44 95.531 -1.304 -6.929 1.00 1.00 H new ATOM 0 HB3 LYS A 44 94.839 -1.230 -8.537 1.00 1.00 H new ATOM 0 HG2 LYS A 44 93.188 0.439 -7.835 1.00 1.00 H new ATOM 0 HG3 LYS A 44 93.614 0.234 -6.148 1.00 1.00 H new ATOM 0 HD2 LYS A 44 94.880 2.143 -6.679 1.00 1.00 H new ATOM 0 HD3 LYS A 44 96.065 0.884 -6.969 1.00 1.00 H new ATOM 0 HE2 LYS A 44 95.161 0.840 -9.423 1.00 1.00 H new ATOM 0 HE3 LYS A 44 94.364 2.352 -9.033 1.00 1.00 H new ATOM 0 HZ1 LYS A 44 96.558 2.737 -9.983 1.00 1.00 H new ATOM 0 HZ2 LYS A 44 96.516 3.285 -8.377 1.00 1.00 H new ATOM 0 HZ3 LYS A 44 97.288 1.820 -8.755 1.00 1.00 H new ATOM 695 N LYS A 45 94.238 -1.839 -4.783 1.00 1.00 N ATOM 696 CA LYS A 45 94.525 -2.240 -3.374 1.00 1.00 C ATOM 697 C LYS A 45 93.587 -1.485 -2.429 1.00 1.00 C ATOM 698 O LYS A 45 93.708 -1.565 -1.222 1.00 1.00 O ATOM 699 CB LYS A 45 95.981 -1.897 -3.038 1.00 1.00 C ATOM 700 CG LYS A 45 96.236 -2.136 -1.549 1.00 1.00 C ATOM 701 CD LYS A 45 97.708 -2.495 -1.334 1.00 1.00 C ATOM 702 CE LYS A 45 97.894 -4.005 -1.496 1.00 1.00 C ATOM 703 NZ LYS A 45 97.092 -4.719 -0.462 1.00 1.00 N ATOM 0 H LYS A 45 94.358 -0.846 -4.981 1.00 1.00 H new ATOM 0 HA LYS A 45 94.368 -3.312 -3.257 1.00 1.00 H new ATOM 0 HB2 LYS A 45 96.656 -2.510 -3.635 1.00 1.00 H new ATOM 0 HB3 LYS A 45 96.187 -0.857 -3.290 1.00 1.00 H new ATOM 0 HG2 LYS A 45 95.981 -1.243 -0.978 1.00 1.00 H new ATOM 0 HG3 LYS A 45 95.597 -2.941 -1.184 1.00 1.00 H new ATOM 0 HD2 LYS A 45 98.332 -1.962 -2.052 1.00 1.00 H new ATOM 0 HD3 LYS A 45 98.028 -2.183 -0.340 1.00 1.00 H new ATOM 0 HE2 LYS A 45 97.581 -4.316 -2.493 1.00 1.00 H new ATOM 0 HE3 LYS A 45 98.948 -4.265 -1.397 1.00 1.00 H new ATOM 0 HZ1 LYS A 45 97.584 -5.591 -0.182 1.00 1.00 H new ATOM 0 HZ2 LYS A 45 96.973 -4.106 0.370 1.00 1.00 H new ATOM 0 HZ3 LYS A 45 96.158 -4.959 -0.852 1.00 1.00 H new ATOM 717 N GLY A 46 92.649 -0.754 -2.967 1.00 1.00 N ATOM 718 CA GLY A 46 91.703 0.004 -2.098 1.00 1.00 C ATOM 719 C GLY A 46 92.344 1.328 -1.679 1.00 1.00 C ATOM 720 O GLY A 46 91.737 2.377 -1.764 1.00 1.00 O ATOM 0 H GLY A 46 92.497 -0.649 -3.970 1.00 1.00 H new ATOM 0 HA2 GLY A 46 90.772 0.192 -2.633 1.00 1.00 H new ATOM 0 HA3 GLY A 46 91.451 -0.585 -1.216 1.00 1.00 H new ATOM 724 N VAL A 47 93.569 1.289 -1.229 1.00 1.00 N ATOM 725 CA VAL A 47 94.250 2.545 -0.807 1.00 1.00 C ATOM 726 C VAL A 47 93.357 3.304 0.179 1.00 1.00 C ATOM 727 O VAL A 47 92.263 2.880 0.494 1.00 1.00 O ATOM 728 CB VAL A 47 94.514 3.417 -2.039 1.00 1.00 C ATOM 729 CG1 VAL A 47 95.426 4.584 -1.654 1.00 1.00 C ATOM 730 CG2 VAL A 47 95.194 2.576 -3.121 1.00 1.00 C ATOM 0 H VAL A 47 94.127 0.441 -1.136 1.00 1.00 H new ATOM 0 HA VAL A 47 95.196 2.303 -0.323 1.00 1.00 H new ATOM 0 HB VAL A 47 93.569 3.805 -2.418 1.00 1.00 H new ATOM 0 HG11 VAL A 47 95.613 5.204 -2.531 1.00 1.00 H new ATOM 0 HG12 VAL A 47 94.943 5.184 -0.882 1.00 1.00 H new ATOM 0 HG13 VAL A 47 96.372 4.197 -1.274 1.00 1.00 H new ATOM 0 HG21 VAL A 47 95.382 3.195 -3.998 1.00 1.00 H new ATOM 0 HG22 VAL A 47 96.139 2.189 -2.740 1.00 1.00 H new ATOM 0 HG23 VAL A 47 94.546 1.744 -3.396 1.00 1.00 H new ATOM 740 N GLN A 48 93.817 4.422 0.669 1.00 1.00 N ATOM 741 CA GLN A 48 93.000 5.207 1.634 1.00 1.00 C ATOM 742 C GLN A 48 92.622 4.313 2.819 1.00 1.00 C ATOM 743 O GLN A 48 93.462 3.932 3.610 1.00 1.00 O ATOM 744 CB GLN A 48 91.735 5.714 0.935 1.00 1.00 C ATOM 745 CG GLN A 48 91.047 6.757 1.818 1.00 1.00 C ATOM 746 CD GLN A 48 89.749 7.216 1.150 1.00 1.00 C ATOM 747 OE1 GLN A 48 88.636 7.194 1.831 1.00 1.00 O flip ATOM 748 NE2 GLN A 48 89.748 7.599 -0.003 1.00 1.00 N flip ATOM 0 H GLN A 48 94.726 4.826 0.442 1.00 1.00 H new ATOM 0 HA GLN A 48 93.573 6.060 1.996 1.00 1.00 H new ATOM 0 HB2 GLN A 48 91.990 6.151 -0.030 1.00 1.00 H new ATOM 0 HB3 GLN A 48 91.057 4.883 0.740 1.00 1.00 H new ATOM 0 HG2 GLN A 48 90.833 6.334 2.800 1.00 1.00 H new ATOM 0 HG3 GLN A 48 91.708 7.609 1.975 1.00 1.00 H new ATOM 0 HE21 GLN A 48 90.618 7.616 -0.535 1.00 1.00 H new ATOM 0 HE22 GLN A 48 88.877 7.903 -0.439 1.00 1.00 H new ATOM 757 N GLY A 49 91.370 3.971 2.949 1.00 1.00 N ATOM 758 CA GLY A 49 90.952 3.099 4.083 1.00 1.00 C ATOM 759 C GLY A 49 90.973 3.903 5.383 1.00 1.00 C ATOM 760 O GLY A 49 91.848 3.742 6.210 1.00 1.00 O ATOM 0 H GLY A 49 90.619 4.257 2.320 1.00 1.00 H new ATOM 0 HA2 GLY A 49 89.951 2.706 3.903 1.00 1.00 H new ATOM 0 HA3 GLY A 49 91.622 2.243 4.162 1.00 1.00 H new ATOM 764 N CYS A 50 90.015 4.768 5.571 1.00 1.00 N ATOM 765 CA CYS A 50 89.978 5.583 6.818 1.00 1.00 C ATOM 766 C CYS A 50 90.180 4.671 8.030 1.00 1.00 C ATOM 767 O CYS A 50 91.165 4.770 8.735 1.00 1.00 O ATOM 768 CB CYS A 50 88.623 6.285 6.926 1.00 1.00 C ATOM 769 SG CYS A 50 88.358 7.315 5.461 1.00 1.00 S ATOM 0 H CYS A 50 89.255 4.946 4.914 1.00 1.00 H new ATOM 0 HA CYS A 50 90.773 6.329 6.790 1.00 1.00 H new ATOM 0 HB2 CYS A 50 87.825 5.547 7.014 1.00 1.00 H new ATOM 0 HB3 CYS A 50 88.590 6.899 7.826 1.00 1.00 H new ATOM 774 N GLY A 51 89.253 3.782 8.279 1.00 1.00 N ATOM 775 CA GLY A 51 89.386 2.859 9.446 1.00 1.00 C ATOM 776 C GLY A 51 88.059 2.803 10.205 1.00 1.00 C ATOM 777 O GLY A 51 87.121 3.505 9.883 1.00 1.00 O ATOM 0 H GLY A 51 88.407 3.655 7.723 1.00 1.00 H new ATOM 0 HA2 GLY A 51 89.665 1.862 9.105 1.00 1.00 H new ATOM 0 HA3 GLY A 51 90.181 3.203 10.107 1.00 1.00 H new ATOM 781 N ASP A 52 87.972 1.976 11.211 1.00 1.00 N ATOM 782 CA ASP A 52 86.703 1.883 11.988 1.00 1.00 C ATOM 783 C ASP A 52 86.228 3.292 12.347 1.00 1.00 C ATOM 784 O ASP A 52 85.046 3.556 12.435 1.00 1.00 O ATOM 785 CB ASP A 52 86.945 1.085 13.271 1.00 1.00 C ATOM 786 CG ASP A 52 87.331 -0.352 12.914 1.00 1.00 C ATOM 787 OD1 ASP A 52 88.022 -0.530 11.925 1.00 1.00 O ATOM 788 OD2 ASP A 52 86.929 -1.249 13.636 1.00 1.00 O ATOM 0 H ASP A 52 88.722 1.362 11.528 1.00 1.00 H new ATOM 0 HA ASP A 52 85.944 1.381 11.388 1.00 1.00 H new ATOM 0 HB2 ASP A 52 87.737 1.551 13.857 1.00 1.00 H new ATOM 0 HB3 ASP A 52 86.047 1.089 13.889 1.00 1.00 H new ATOM 793 N ASP A 53 87.144 4.198 12.552 1.00 1.00 N ATOM 794 CA ASP A 53 86.752 5.591 12.903 1.00 1.00 C ATOM 795 C ASP A 53 85.751 5.566 14.059 1.00 1.00 C ATOM 796 O ASP A 53 86.059 5.129 15.150 1.00 1.00 O ATOM 797 CB ASP A 53 86.110 6.261 11.686 1.00 1.00 C ATOM 798 CG ASP A 53 87.161 6.443 10.590 1.00 1.00 C ATOM 799 OD1 ASP A 53 88.231 5.870 10.721 1.00 1.00 O ATOM 800 OD2 ASP A 53 86.880 7.152 9.638 1.00 1.00 O ATOM 0 H ASP A 53 88.149 4.033 12.491 1.00 1.00 H new ATOM 0 HA ASP A 53 87.637 6.152 13.203 1.00 1.00 H new ATOM 0 HB2 ASP A 53 85.285 5.653 11.316 1.00 1.00 H new ATOM 0 HB3 ASP A 53 85.692 7.227 11.968 1.00 1.00 H new ATOM 805 N ILE A 54 84.555 6.034 13.830 1.00 1.00 N ATOM 806 CA ILE A 54 83.536 6.040 14.916 1.00 1.00 C ATOM 807 C ILE A 54 83.041 4.608 15.163 1.00 1.00 C ATOM 808 O ILE A 54 82.867 3.843 14.235 1.00 1.00 O ATOM 809 CB ILE A 54 82.357 6.919 14.495 1.00 1.00 C ATOM 810 CG1 ILE A 54 81.824 6.441 13.142 1.00 1.00 C ATOM 811 CG2 ILE A 54 82.820 8.372 14.375 1.00 1.00 C ATOM 812 CD1 ILE A 54 80.739 7.402 12.653 1.00 1.00 C ATOM 0 H ILE A 54 84.240 6.413 12.937 1.00 1.00 H new ATOM 0 HA ILE A 54 83.980 6.433 15.831 1.00 1.00 H new ATOM 0 HB ILE A 54 81.567 6.850 15.243 1.00 1.00 H new ATOM 0 HG12 ILE A 54 82.636 6.392 12.416 1.00 1.00 H new ATOM 0 HG13 ILE A 54 81.418 5.434 13.234 1.00 1.00 H new ATOM 0 HG21 ILE A 54 81.980 8.998 14.075 1.00 1.00 H new ATOM 0 HG22 ILE A 54 83.201 8.713 15.338 1.00 1.00 H new ATOM 0 HG23 ILE A 54 83.610 8.442 13.627 1.00 1.00 H new ATOM 0 HD11 ILE A 54 80.359 7.062 11.690 1.00 1.00 H new ATOM 0 HD12 ILE A 54 79.924 7.428 13.376 1.00 1.00 H new ATOM 0 HD13 ILE A 54 81.160 8.402 12.545 1.00 1.00 H new ATOM 824 N PRO A 55 82.813 4.245 16.402 1.00 1.00 N ATOM 825 CA PRO A 55 82.326 2.880 16.762 1.00 1.00 C ATOM 826 C PRO A 55 80.845 2.683 16.415 1.00 1.00 C ATOM 827 O PRO A 55 80.001 2.588 17.285 1.00 1.00 O ATOM 828 CB PRO A 55 82.541 2.811 18.276 1.00 1.00 C ATOM 829 CG PRO A 55 82.454 4.228 18.739 1.00 1.00 C ATOM 830 CD PRO A 55 82.989 5.092 17.593 1.00 1.00 C ATOM 0 HA PRO A 55 82.852 2.100 16.212 1.00 1.00 H new ATOM 0 HB2 PRO A 55 81.783 2.191 18.755 1.00 1.00 H new ATOM 0 HB3 PRO A 55 83.510 2.374 18.518 1.00 1.00 H new ATOM 0 HG2 PRO A 55 81.425 4.495 18.979 1.00 1.00 H new ATOM 0 HG3 PRO A 55 83.042 4.377 19.645 1.00 1.00 H new ATOM 0 HD2 PRO A 55 82.435 6.027 17.504 1.00 1.00 H new ATOM 0 HD3 PRO A 55 84.036 5.355 17.745 1.00 1.00 H new ATOM 838 N GLY A 56 80.523 2.622 15.152 1.00 1.00 N ATOM 839 CA GLY A 56 79.098 2.431 14.752 1.00 1.00 C ATOM 840 C GLY A 56 78.220 3.451 15.481 1.00 1.00 C ATOM 841 O GLY A 56 77.534 3.126 16.429 1.00 1.00 O ATOM 0 H GLY A 56 81.184 2.696 14.379 1.00 1.00 H new ATOM 0 HA2 GLY A 56 78.993 2.550 13.674 1.00 1.00 H new ATOM 0 HA3 GLY A 56 78.774 1.419 14.994 1.00 1.00 H new ATOM 845 N MET A 57 78.239 4.684 15.044 1.00 1.00 N ATOM 846 CA MET A 57 77.408 5.733 15.708 1.00 1.00 C ATOM 847 C MET A 57 76.272 6.156 14.770 1.00 1.00 C ATOM 848 O MET A 57 75.524 7.067 15.062 1.00 1.00 O ATOM 849 CB MET A 57 78.288 6.946 16.029 1.00 1.00 C ATOM 850 CG MET A 57 77.612 7.800 17.104 1.00 1.00 C ATOM 851 SD MET A 57 78.683 9.196 17.527 1.00 1.00 S ATOM 852 CE MET A 57 78.010 9.506 19.178 1.00 1.00 C ATOM 0 H MET A 57 78.796 5.010 14.254 1.00 1.00 H new ATOM 0 HA MET A 57 76.984 5.335 16.630 1.00 1.00 H new ATOM 0 HB2 MET A 57 79.268 6.616 16.375 1.00 1.00 H new ATOM 0 HB3 MET A 57 78.451 7.538 15.129 1.00 1.00 H new ATOM 0 HG2 MET A 57 76.649 8.163 16.744 1.00 1.00 H new ATOM 0 HG3 MET A 57 77.414 7.198 17.991 1.00 1.00 H new ATOM 0 HE1 MET A 57 78.536 10.345 19.634 1.00 1.00 H new ATOM 0 HE2 MET A 57 76.949 9.742 19.100 1.00 1.00 H new ATOM 0 HE3 MET A 57 78.139 8.618 19.796 1.00 1.00 H new ATOM 862 N GLU A 58 76.138 5.502 13.648 1.00 1.00 N ATOM 863 CA GLU A 58 75.052 5.864 12.695 1.00 1.00 C ATOM 864 C GLU A 58 75.141 7.354 12.361 1.00 1.00 C ATOM 865 O GLU A 58 75.848 8.106 13.002 1.00 1.00 O ATOM 866 CB GLU A 58 73.691 5.560 13.328 1.00 1.00 C ATOM 867 CG GLU A 58 73.554 4.051 13.543 1.00 1.00 C ATOM 868 CD GLU A 58 74.540 3.598 14.621 1.00 1.00 C ATOM 869 OE1 GLU A 58 74.203 3.707 15.788 1.00 1.00 O ATOM 870 OE2 GLU A 58 75.616 3.149 14.261 1.00 1.00 O ATOM 0 H GLU A 58 76.736 4.731 13.350 1.00 1.00 H new ATOM 0 HA GLU A 58 75.163 5.281 11.781 1.00 1.00 H new ATOM 0 HB2 GLU A 58 73.595 6.084 14.279 1.00 1.00 H new ATOM 0 HB3 GLU A 58 72.889 5.921 12.683 1.00 1.00 H new ATOM 0 HG2 GLU A 58 72.535 3.806 13.842 1.00 1.00 H new ATOM 0 HG3 GLU A 58 73.749 3.521 12.611 1.00 1.00 H new ATOM 877 N GLY A 59 74.430 7.785 11.357 1.00 1.00 N ATOM 878 CA GLY A 59 74.472 9.227 10.977 1.00 1.00 C ATOM 879 C GLY A 59 73.414 9.507 9.909 1.00 1.00 C ATOM 880 O GLY A 59 72.368 8.889 9.882 1.00 1.00 O ATOM 0 H GLY A 59 73.821 7.202 10.782 1.00 1.00 H new ATOM 0 HA2 GLY A 59 74.292 9.850 11.853 1.00 1.00 H new ATOM 0 HA3 GLY A 59 75.461 9.485 10.600 1.00 1.00 H new ATOM 884 N CYS A 60 73.679 10.431 9.025 1.00 1.00 N ATOM 885 CA CYS A 60 72.691 10.749 7.955 1.00 1.00 C ATOM 886 C CYS A 60 71.332 11.067 8.591 1.00 1.00 C ATOM 887 O CYS A 60 70.992 12.214 8.806 1.00 1.00 O ATOM 888 CB CYS A 60 72.560 9.545 7.014 1.00 1.00 C ATOM 889 SG CYS A 60 72.609 10.113 5.296 1.00 1.00 S ATOM 0 H CYS A 60 74.538 10.980 8.998 1.00 1.00 H new ATOM 0 HA CYS A 60 73.029 11.615 7.387 1.00 1.00 H new ATOM 0 HB2 CYS A 60 73.368 8.837 7.197 1.00 1.00 H new ATOM 0 HB3 CYS A 60 71.625 9.019 7.208 1.00 1.00 H new ATOM 894 N GLY A 61 70.552 10.065 8.895 1.00 1.00 N ATOM 895 CA GLY A 61 69.221 10.316 9.516 1.00 1.00 C ATOM 896 C GLY A 61 68.353 9.061 9.396 1.00 1.00 C ATOM 897 O GLY A 61 67.984 8.454 10.382 1.00 1.00 O ATOM 0 H GLY A 61 70.780 9.083 8.740 1.00 1.00 H new ATOM 0 HA2 GLY A 61 69.343 10.587 10.565 1.00 1.00 H new ATOM 0 HA3 GLY A 61 68.732 11.157 9.024 1.00 1.00 H new ATOM 901 N THR A 62 68.023 8.668 8.196 1.00 1.00 N ATOM 902 CA THR A 62 67.176 7.454 8.012 1.00 1.00 C ATOM 903 C THR A 62 67.907 6.224 8.556 1.00 1.00 C ATOM 904 O THR A 62 68.898 5.783 8.010 1.00 1.00 O ATOM 905 CB THR A 62 66.878 7.268 6.522 1.00 1.00 C ATOM 906 OG1 THR A 62 68.095 7.303 5.790 1.00 1.00 O ATOM 907 CG2 THR A 62 65.957 8.390 6.040 1.00 1.00 C ATOM 0 H THR A 62 68.303 9.135 7.334 1.00 1.00 H new ATOM 0 HA THR A 62 66.240 7.576 8.556 1.00 1.00 H new ATOM 0 HB THR A 62 66.387 6.307 6.366 1.00 1.00 H new ATOM 0 HG1 THR A 62 68.067 8.039 5.143 1.00 1.00 H new ATOM 0 HG21 THR A 62 65.746 8.257 4.979 1.00 1.00 H new ATOM 0 HG22 THR A 62 65.024 8.362 6.602 1.00 1.00 H new ATOM 0 HG23 THR A 62 66.445 9.353 6.195 1.00 1.00 H new ATOM 915 N ASP A 63 67.420 5.668 9.635 1.00 1.00 N ATOM 916 CA ASP A 63 68.078 4.467 10.223 1.00 1.00 C ATOM 917 C ASP A 63 67.865 3.260 9.307 1.00 1.00 C ATOM 918 O ASP A 63 67.569 2.173 9.762 1.00 1.00 O ATOM 919 CB ASP A 63 67.470 4.166 11.596 1.00 1.00 C ATOM 920 CG ASP A 63 67.615 5.390 12.502 1.00 1.00 C ATOM 921 OD1 ASP A 63 67.198 6.460 12.090 1.00 1.00 O ATOM 922 OD2 ASP A 63 68.142 5.237 13.592 1.00 1.00 O ATOM 0 H ASP A 63 66.593 5.996 10.134 1.00 1.00 H new ATOM 0 HA ASP A 63 69.145 4.663 10.328 1.00 1.00 H new ATOM 0 HB2 ASP A 63 66.418 3.903 11.489 1.00 1.00 H new ATOM 0 HB3 ASP A 63 67.969 3.307 12.045 1.00 1.00 H new ATOM 927 N ILE A 64 68.021 3.434 8.021 1.00 1.00 N ATOM 928 CA ILE A 64 67.834 2.286 7.090 1.00 1.00 C ATOM 929 C ILE A 64 68.016 2.754 5.645 1.00 1.00 C ATOM 930 O ILE A 64 68.969 2.404 4.979 1.00 1.00 O ATOM 931 CB ILE A 64 66.429 1.690 7.287 1.00 1.00 C ATOM 932 CG1 ILE A 64 65.982 1.004 5.994 1.00 1.00 C ATOM 933 CG2 ILE A 64 65.444 2.807 7.637 1.00 1.00 C ATOM 934 CD1 ILE A 64 64.831 0.043 6.297 1.00 1.00 C ATOM 0 H ILE A 64 68.269 4.319 7.578 1.00 1.00 H new ATOM 0 HA ILE A 64 68.578 1.519 7.303 1.00 1.00 H new ATOM 0 HB ILE A 64 66.454 0.961 8.097 1.00 1.00 H new ATOM 0 HG12 ILE A 64 65.665 1.750 5.265 1.00 1.00 H new ATOM 0 HG13 ILE A 64 66.817 0.460 5.551 1.00 1.00 H new ATOM 0 HG21 ILE A 64 64.449 2.384 7.776 1.00 1.00 H new ATOM 0 HG22 ILE A 64 65.762 3.297 8.557 1.00 1.00 H new ATOM 0 HG23 ILE A 64 65.418 3.536 6.827 1.00 1.00 H new ATOM 0 HD11 ILE A 64 64.513 -0.445 5.376 1.00 1.00 H new ATOM 0 HD12 ILE A 64 65.164 -0.710 7.011 1.00 1.00 H new ATOM 0 HD13 ILE A 64 63.995 0.599 6.720 1.00 1.00 H new ATOM 946 N THR A 65 67.099 3.528 5.161 1.00 1.00 N ATOM 947 CA THR A 65 67.178 4.027 3.752 1.00 1.00 C ATOM 948 C THR A 65 68.635 4.280 3.354 1.00 1.00 C ATOM 949 O THR A 65 69.066 3.907 2.281 1.00 1.00 O ATOM 950 CB THR A 65 66.388 5.332 3.623 1.00 1.00 C ATOM 951 OG1 THR A 65 65.168 5.218 4.342 1.00 1.00 O ATOM 952 CG2 THR A 65 66.090 5.607 2.148 1.00 1.00 C ATOM 0 H THR A 65 66.282 3.847 5.682 1.00 1.00 H new ATOM 0 HA THR A 65 66.755 3.270 3.092 1.00 1.00 H new ATOM 0 HB THR A 65 66.975 6.154 4.031 1.00 1.00 H new ATOM 0 HG1 THR A 65 64.662 6.053 4.262 1.00 1.00 H new ATOM 0 HG21 THR A 65 65.528 6.536 2.058 1.00 1.00 H new ATOM 0 HG22 THR A 65 67.027 5.695 1.598 1.00 1.00 H new ATOM 0 HG23 THR A 65 65.503 4.786 1.736 1.00 1.00 H new ATOM 960 N VAL A 66 69.395 4.912 4.207 1.00 1.00 N ATOM 961 CA VAL A 66 70.825 5.193 3.880 1.00 1.00 C ATOM 962 C VAL A 66 71.723 4.480 4.892 1.00 1.00 C ATOM 963 O VAL A 66 72.768 3.961 4.552 1.00 1.00 O ATOM 964 CB VAL A 66 71.067 6.702 3.949 1.00 1.00 C ATOM 965 CG1 VAL A 66 70.056 7.423 3.056 1.00 1.00 C ATOM 966 CG2 VAL A 66 70.901 7.178 5.394 1.00 1.00 C ATOM 0 H VAL A 66 69.087 5.247 5.120 1.00 1.00 H new ATOM 0 HA VAL A 66 71.055 4.833 2.877 1.00 1.00 H new ATOM 0 HB VAL A 66 72.077 6.924 3.606 1.00 1.00 H new ATOM 0 HG11 VAL A 66 70.229 8.498 3.105 1.00 1.00 H new ATOM 0 HG12 VAL A 66 70.173 7.084 2.027 1.00 1.00 H new ATOM 0 HG13 VAL A 66 69.045 7.202 3.399 1.00 1.00 H new ATOM 0 HG21 VAL A 66 71.073 8.253 5.445 1.00 1.00 H new ATOM 0 HG22 VAL A 66 69.890 6.956 5.736 1.00 1.00 H new ATOM 0 HG23 VAL A 66 71.621 6.665 6.031 1.00 1.00 H new ATOM 976 N ILE A 67 71.313 4.440 6.131 1.00 1.00 N ATOM 977 CA ILE A 67 72.121 3.750 7.179 1.00 1.00 C ATOM 978 C ILE A 67 71.214 2.748 7.892 1.00 1.00 C ATOM 979 O ILE A 67 70.270 3.122 8.553 1.00 1.00 O ATOM 980 CB ILE A 67 72.659 4.782 8.177 1.00 1.00 C ATOM 981 CG1 ILE A 67 73.906 5.451 7.595 1.00 1.00 C ATOM 982 CG2 ILE A 67 73.022 4.084 9.489 1.00 1.00 C ATOM 983 CD1 ILE A 67 74.356 6.585 8.517 1.00 1.00 C ATOM 0 H ILE A 67 70.445 4.859 6.465 1.00 1.00 H new ATOM 0 HA ILE A 67 72.968 3.232 6.730 1.00 1.00 H new ATOM 0 HB ILE A 67 71.895 5.536 8.366 1.00 1.00 H new ATOM 0 HG12 ILE A 67 74.706 4.719 7.485 1.00 1.00 H new ATOM 0 HG13 ILE A 67 73.691 5.841 6.600 1.00 1.00 H new ATOM 0 HG21 ILE A 67 73.404 4.818 10.198 1.00 1.00 H new ATOM 0 HG22 ILE A 67 72.135 3.606 9.904 1.00 1.00 H new ATOM 0 HG23 ILE A 67 73.786 3.330 9.301 1.00 1.00 H new ATOM 0 HD11 ILE A 67 75.244 7.061 8.102 1.00 1.00 H new ATOM 0 HD12 ILE A 67 73.557 7.321 8.605 1.00 1.00 H new ATOM 0 HD13 ILE A 67 74.588 6.182 9.503 1.00 1.00 H new ATOM 995 N CYS A 68 71.482 1.481 7.744 1.00 1.00 N ATOM 996 CA CYS A 68 70.620 0.449 8.387 1.00 1.00 C ATOM 997 C CYS A 68 71.449 -0.364 9.387 1.00 1.00 C ATOM 998 O CYS A 68 72.658 -0.433 9.290 1.00 1.00 O ATOM 999 CB CYS A 68 70.046 -0.475 7.301 1.00 1.00 C ATOM 1000 SG CYS A 68 70.294 0.279 5.674 1.00 1.00 S ATOM 0 H CYS A 68 72.265 1.114 7.203 1.00 1.00 H new ATOM 0 HA CYS A 68 69.801 0.931 8.920 1.00 1.00 H new ATOM 0 HB2 CYS A 68 70.535 -1.448 7.341 1.00 1.00 H new ATOM 0 HB3 CYS A 68 68.984 -0.645 7.477 1.00 1.00 H new ATOM 1005 N PRO A 69 70.800 -0.965 10.356 1.00 1.00 N ATOM 1006 CA PRO A 69 71.476 -1.768 11.406 1.00 1.00 C ATOM 1007 C PRO A 69 72.691 -2.529 10.866 1.00 1.00 C ATOM 1008 O PRO A 69 73.686 -2.691 11.545 1.00 1.00 O ATOM 1009 CB PRO A 69 70.392 -2.745 11.886 1.00 1.00 C ATOM 1010 CG PRO A 69 69.081 -2.225 11.375 1.00 1.00 C ATOM 1011 CD PRO A 69 69.348 -0.955 10.558 1.00 1.00 C ATOM 0 HA PRO A 69 71.868 -1.137 12.203 1.00 1.00 H new ATOM 0 HB2 PRO A 69 70.583 -3.750 11.508 1.00 1.00 H new ATOM 0 HB3 PRO A 69 70.384 -2.809 12.974 1.00 1.00 H new ATOM 0 HG2 PRO A 69 68.590 -2.977 10.757 1.00 1.00 H new ATOM 0 HG3 PRO A 69 68.410 -2.007 12.206 1.00 1.00 H new ATOM 0 HD2 PRO A 69 68.812 -0.971 9.609 1.00 1.00 H new ATOM 0 HD3 PRO A 69 69.025 -0.061 11.092 1.00 1.00 H new ATOM 1019 N TRP A 70 72.617 -2.998 9.653 1.00 1.00 N ATOM 1020 CA TRP A 70 73.766 -3.748 9.072 1.00 1.00 C ATOM 1021 C TRP A 70 74.988 -2.827 9.008 1.00 1.00 C ATOM 1022 O TRP A 70 76.048 -3.211 8.556 1.00 1.00 O ATOM 1023 CB TRP A 70 73.400 -4.214 7.661 1.00 1.00 C ATOM 1024 CG TRP A 70 74.356 -5.273 7.215 1.00 1.00 C ATOM 1025 CD1 TRP A 70 75.401 -5.732 7.941 1.00 1.00 C ATOM 1026 CD2 TRP A 70 74.374 -6.013 5.959 1.00 1.00 C ATOM 1027 NE1 TRP A 70 76.060 -6.705 7.213 1.00 1.00 N ATOM 1028 CE2 TRP A 70 75.466 -6.915 5.984 1.00 1.00 C ATOM 1029 CE3 TRP A 70 73.560 -5.990 4.814 1.00 1.00 C ATOM 1030 CZ2 TRP A 70 75.738 -7.764 4.908 1.00 1.00 C ATOM 1031 CZ3 TRP A 70 73.830 -6.841 3.732 1.00 1.00 C ATOM 1032 CH2 TRP A 70 74.916 -7.726 3.778 1.00 1.00 C ATOM 0 H TRP A 70 71.810 -2.895 9.037 1.00 1.00 H new ATOM 0 HA TRP A 70 73.996 -4.614 9.693 1.00 1.00 H new ATOM 0 HB2 TRP A 70 72.381 -4.602 7.649 1.00 1.00 H new ATOM 0 HB3 TRP A 70 73.428 -3.371 6.971 1.00 1.00 H new ATOM 0 HD1 TRP A 70 75.676 -5.393 8.929 1.00 1.00 H new ATOM 0 HE1 TRP A 70 76.884 -7.207 7.543 1.00 1.00 H new ATOM 0 HE3 TRP A 70 72.720 -5.312 4.767 1.00 1.00 H new ATOM 0 HZ2 TRP A 70 76.576 -8.444 4.949 1.00 1.00 H new ATOM 0 HZ3 TRP A 70 73.197 -6.814 2.858 1.00 1.00 H new ATOM 0 HH2 TRP A 70 75.118 -8.378 2.941 1.00 1.00 H new ATOM 1043 N GLU A 71 74.844 -1.608 9.454 1.00 1.00 N ATOM 1044 CA GLU A 71 75.990 -0.656 9.421 1.00 1.00 C ATOM 1045 C GLU A 71 76.795 -0.795 10.715 1.00 1.00 C ATOM 1046 O GLU A 71 78.002 -0.937 10.694 1.00 1.00 O ATOM 1047 CB GLU A 71 75.454 0.777 9.292 1.00 1.00 C ATOM 1048 CG GLU A 71 75.242 1.116 7.815 1.00 1.00 C ATOM 1049 CD GLU A 71 76.385 2.007 7.326 1.00 1.00 C ATOM 1050 OE1 GLU A 71 76.538 3.090 7.866 1.00 1.00 O ATOM 1051 OE2 GLU A 71 77.088 1.591 6.420 1.00 1.00 O ATOM 0 H GLU A 71 73.979 -1.230 9.841 1.00 1.00 H new ATOM 0 HA GLU A 71 76.633 -0.877 8.569 1.00 1.00 H new ATOM 0 HB2 GLU A 71 74.515 0.875 9.836 1.00 1.00 H new ATOM 0 HB3 GLU A 71 76.156 1.480 9.740 1.00 1.00 H new ATOM 0 HG2 GLU A 71 75.201 0.201 7.223 1.00 1.00 H new ATOM 0 HG3 GLU A 71 74.287 1.625 7.681 1.00 1.00 H new ATOM 1058 N ALA A 72 76.138 -0.764 11.843 1.00 1.00 N ATOM 1059 CA ALA A 72 76.871 -0.903 13.132 1.00 1.00 C ATOM 1060 C ALA A 72 77.299 -2.360 13.306 1.00 1.00 C ATOM 1061 O ALA A 72 77.062 -2.970 14.330 1.00 1.00 O ATOM 1062 CB ALA A 72 75.960 -0.497 14.292 1.00 1.00 C ATOM 0 H ALA A 72 75.128 -0.649 11.927 1.00 1.00 H new ATOM 0 HA ALA A 72 77.749 -0.257 13.125 1.00 1.00 H new ATOM 0 HB1 ALA A 72 76.501 -0.600 15.233 1.00 1.00 H new ATOM 0 HB2 ALA A 72 75.649 0.540 14.164 1.00 1.00 H new ATOM 0 HB3 ALA A 72 75.080 -1.141 14.306 1.00 1.00 H new ATOM 1068 N CYS A 73 77.927 -2.922 12.311 1.00 1.00 N ATOM 1069 CA CYS A 73 78.370 -4.340 12.413 1.00 1.00 C ATOM 1070 C CYS A 73 79.118 -4.546 13.733 1.00 1.00 C ATOM 1071 O CYS A 73 79.409 -5.659 14.124 1.00 1.00 O ATOM 1072 CB CYS A 73 79.299 -4.667 11.241 1.00 1.00 C ATOM 1073 SG CYS A 73 78.388 -4.501 9.686 1.00 1.00 S ATOM 0 H CYS A 73 78.153 -2.460 11.430 1.00 1.00 H new ATOM 0 HA CYS A 73 77.501 -4.998 12.382 1.00 1.00 H new ATOM 0 HB2 CYS A 73 80.158 -3.996 11.245 1.00 1.00 H new ATOM 0 HB3 CYS A 73 79.686 -5.681 11.342 1.00 1.00 H new ATOM 1078 N ASN A 74 79.426 -3.480 14.423 1.00 1.00 N ATOM 1079 CA ASN A 74 80.151 -3.606 15.719 1.00 1.00 C ATOM 1080 C ASN A 74 81.569 -4.116 15.458 1.00 1.00 C ATOM 1081 O ASN A 74 82.512 -3.718 16.113 1.00 1.00 O ATOM 1082 CB ASN A 74 79.406 -4.588 16.633 1.00 1.00 C ATOM 1083 CG ASN A 74 79.762 -4.297 18.092 1.00 1.00 C ATOM 1084 OD1 ASN A 74 80.641 -3.506 18.369 1.00 1.00 O ATOM 1085 ND2 ASN A 74 79.110 -4.907 19.044 1.00 1.00 N ATOM 0 H ASN A 74 79.205 -2.524 14.143 1.00 1.00 H new ATOM 0 HA ASN A 74 80.200 -2.632 16.206 1.00 1.00 H new ATOM 0 HB2 ASN A 74 78.330 -4.495 16.485 1.00 1.00 H new ATOM 0 HB3 ASN A 74 79.675 -5.613 16.379 1.00 1.00 H new ATOM 0 HD21 ASN A 74 79.339 -4.719 20.020 1.00 1.00 H new ATOM 0 HD22 ASN A 74 78.372 -5.571 18.812 1.00 1.00 H new ATOM 1092 N HIS A 75 81.727 -4.988 14.500 1.00 1.00 N ATOM 1093 CA HIS A 75 83.081 -5.523 14.183 1.00 1.00 C ATOM 1094 C HIS A 75 83.552 -4.935 12.851 1.00 1.00 C ATOM 1095 O HIS A 75 83.992 -5.646 11.972 1.00 1.00 O ATOM 1096 CB HIS A 75 83.009 -7.046 14.068 1.00 1.00 C ATOM 1097 CG HIS A 75 81.916 -7.425 13.107 1.00 1.00 C ATOM 1098 ND1 HIS A 75 80.632 -7.735 13.533 1.00 1.00 N ATOM 1099 CD2 HIS A 75 81.898 -7.549 11.739 1.00 1.00 C ATOM 1100 CE1 HIS A 75 79.902 -8.027 12.442 1.00 1.00 C ATOM 1101 NE2 HIS A 75 80.625 -7.929 11.325 1.00 1.00 N ATOM 0 H HIS A 75 80.972 -5.355 13.920 1.00 1.00 H new ATOM 0 HA HIS A 75 83.780 -5.250 14.974 1.00 1.00 H new ATOM 0 HB2 HIS A 75 83.964 -7.441 13.723 1.00 1.00 H new ATOM 0 HB3 HIS A 75 82.817 -7.487 15.046 1.00 1.00 H new ATOM 0 HD2 HIS A 75 82.741 -7.378 11.086 1.00 1.00 H new ATOM 0 HE1 HIS A 75 78.859 -8.306 12.467 1.00 1.00 H new ATOM 0 HE2 HIS A 75 80.311 -8.097 10.369 1.00 1.00 H new ATOM 1110 N CYS A 76 83.459 -3.642 12.694 1.00 1.00 N ATOM 1111 CA CYS A 76 83.898 -3.012 11.416 1.00 1.00 C ATOM 1112 C CYS A 76 85.300 -3.510 11.059 1.00 1.00 C ATOM 1113 O CYS A 76 86.293 -2.900 11.403 1.00 1.00 O ATOM 1114 CB CYS A 76 83.920 -1.488 11.579 1.00 1.00 C ATOM 1115 SG CYS A 76 82.392 -0.787 10.907 1.00 1.00 S ATOM 0 H CYS A 76 83.098 -2.995 13.395 1.00 1.00 H new ATOM 0 HA CYS A 76 83.204 -3.281 10.620 1.00 1.00 H new ATOM 0 HB2 CYS A 76 84.021 -1.226 12.632 1.00 1.00 H new ATOM 0 HB3 CYS A 76 84.783 -1.069 11.062 1.00 1.00 H new ATOM 1120 N GLU A 77 85.389 -4.615 10.370 1.00 1.00 N ATOM 1121 CA GLU A 77 86.727 -5.152 9.990 1.00 1.00 C ATOM 1122 C GLU A 77 87.339 -4.269 8.902 1.00 1.00 C ATOM 1123 O GLU A 77 86.650 -3.528 8.229 1.00 1.00 O ATOM 1124 CB GLU A 77 86.570 -6.579 9.460 1.00 1.00 C ATOM 1125 CG GLU A 77 86.396 -7.545 10.634 1.00 1.00 C ATOM 1126 CD GLU A 77 87.733 -7.717 11.356 1.00 1.00 C ATOM 1127 OE1 GLU A 77 88.577 -8.429 10.837 1.00 1.00 O ATOM 1128 OE2 GLU A 77 87.890 -7.135 12.417 1.00 1.00 O ATOM 0 H GLU A 77 84.593 -5.169 10.054 1.00 1.00 H new ATOM 0 HA GLU A 77 87.379 -5.158 10.863 1.00 1.00 H new ATOM 0 HB2 GLU A 77 85.708 -6.638 8.796 1.00 1.00 H new ATOM 0 HB3 GLU A 77 87.445 -6.858 8.873 1.00 1.00 H new ATOM 0 HG2 GLU A 77 85.644 -7.163 11.325 1.00 1.00 H new ATOM 0 HG3 GLU A 77 86.038 -8.510 10.275 1.00 1.00 H new ATOM 1135 N LEU A 78 88.628 -4.339 8.724 1.00 1.00 N ATOM 1136 CA LEU A 78 89.282 -3.501 7.680 1.00 1.00 C ATOM 1137 C LEU A 78 88.764 -3.902 6.296 1.00 1.00 C ATOM 1138 O LEU A 78 87.573 -3.989 6.067 1.00 1.00 O ATOM 1139 CB LEU A 78 90.799 -3.708 7.740 1.00 1.00 C ATOM 1140 CG LEU A 78 91.501 -2.612 6.937 1.00 1.00 C ATOM 1141 CD1 LEU A 78 91.745 -1.397 7.834 1.00 1.00 C ATOM 1142 CD2 LEU A 78 92.841 -3.139 6.420 1.00 1.00 C ATOM 0 H LEU A 78 89.258 -4.940 9.256 1.00 1.00 H new ATOM 0 HA LEU A 78 89.049 -2.451 7.859 1.00 1.00 H new ATOM 0 HB2 LEU A 78 91.138 -3.687 8.776 1.00 1.00 H new ATOM 0 HB3 LEU A 78 91.058 -4.688 7.340 1.00 1.00 H new ATOM 0 HG LEU A 78 90.873 -2.321 6.095 1.00 1.00 H new ATOM 0 HD11 LEU A 78 92.245 -0.616 7.261 1.00 1.00 H new ATOM 0 HD12 LEU A 78 90.791 -1.021 8.204 1.00 1.00 H new ATOM 0 HD13 LEU A 78 92.372 -1.687 8.677 1.00 1.00 H new ATOM 0 HD21 LEU A 78 93.342 -2.359 5.847 1.00 1.00 H new ATOM 0 HD22 LEU A 78 93.467 -3.430 7.263 1.00 1.00 H new ATOM 0 HD23 LEU A 78 92.669 -4.005 5.780 1.00 1.00 H new ATOM 1154 N HIS A 79 89.653 -4.142 5.371 1.00 1.00 N ATOM 1155 CA HIS A 79 89.227 -4.531 3.996 1.00 1.00 C ATOM 1156 C HIS A 79 90.251 -5.505 3.408 1.00 1.00 C ATOM 1157 O HIS A 79 90.572 -5.453 2.237 1.00 1.00 O ATOM 1158 CB HIS A 79 89.141 -3.277 3.113 1.00 1.00 C ATOM 1159 CG HIS A 79 88.914 -2.069 3.979 1.00 1.00 C ATOM 1160 ND1 HIS A 79 87.779 -1.924 4.763 1.00 1.00 N ATOM 1161 CD2 HIS A 79 89.667 -0.940 4.196 1.00 1.00 C ATOM 1162 CE1 HIS A 79 87.877 -0.749 5.409 1.00 1.00 C ATOM 1163 NE2 HIS A 79 89.008 -0.111 5.099 1.00 1.00 N ATOM 0 H HIS A 79 90.662 -4.085 5.509 1.00 1.00 H new ATOM 0 HA HIS A 79 88.249 -5.011 4.036 1.00 1.00 H new ATOM 0 HB2 HIS A 79 90.061 -3.159 2.540 1.00 1.00 H new ATOM 0 HB3 HIS A 79 88.328 -3.380 2.394 1.00 1.00 H new ATOM 0 HD1 HIS A 79 87.009 -2.589 4.836 1.00 1.00 H new ATOM 0 HD2 HIS A 79 90.622 -0.729 3.737 1.00 1.00 H new ATOM 0 HE1 HIS A 79 87.133 -0.369 6.094 1.00 1.00 H new ATOM 1172 N GLU A 80 90.769 -6.392 4.213 1.00 1.00 N ATOM 1173 CA GLU A 80 91.773 -7.369 3.703 1.00 1.00 C ATOM 1174 C GLU A 80 91.046 -8.622 3.205 1.00 1.00 C ATOM 1175 O GLU A 80 91.622 -9.470 2.553 1.00 1.00 O ATOM 1176 CB GLU A 80 92.740 -7.744 4.837 1.00 1.00 C ATOM 1177 CG GLU A 80 94.131 -8.007 4.257 1.00 1.00 C ATOM 1178 CD GLU A 80 94.084 -9.243 3.357 1.00 1.00 C ATOM 1179 OE1 GLU A 80 94.129 -10.341 3.888 1.00 1.00 O ATOM 1180 OE2 GLU A 80 94.003 -9.072 2.152 1.00 1.00 O ATOM 0 H GLU A 80 90.540 -6.483 5.203 1.00 1.00 H new ATOM 0 HA GLU A 80 92.337 -6.927 2.882 1.00 1.00 H new ATOM 0 HB2 GLU A 80 92.787 -6.939 5.570 1.00 1.00 H new ATOM 0 HB3 GLU A 80 92.379 -8.630 5.359 1.00 1.00 H new ATOM 0 HG2 GLU A 80 94.468 -7.142 3.687 1.00 1.00 H new ATOM 0 HG3 GLU A 80 94.850 -8.158 5.062 1.00 1.00 H new ATOM 1187 N LEU A 81 89.780 -8.741 3.508 1.00 1.00 N ATOM 1188 CA LEU A 81 89.007 -9.936 3.058 1.00 1.00 C ATOM 1189 C LEU A 81 88.195 -9.582 1.810 1.00 1.00 C ATOM 1190 O LEU A 81 87.270 -10.278 1.442 1.00 1.00 O ATOM 1191 CB LEU A 81 88.055 -10.382 4.172 1.00 1.00 C ATOM 1192 CG LEU A 81 88.766 -10.285 5.523 1.00 1.00 C ATOM 1193 CD1 LEU A 81 87.830 -10.772 6.630 1.00 1.00 C ATOM 1194 CD2 LEU A 81 90.023 -11.158 5.499 1.00 1.00 C ATOM 0 H LEU A 81 89.247 -8.060 4.049 1.00 1.00 H new ATOM 0 HA LEU A 81 89.700 -10.745 2.825 1.00 1.00 H new ATOM 0 HB2 LEU A 81 87.162 -9.757 4.174 1.00 1.00 H new ATOM 0 HB3 LEU A 81 87.726 -11.406 3.995 1.00 1.00 H new ATOM 0 HG LEU A 81 89.044 -9.248 5.713 1.00 1.00 H new ATOM 0 HD11 LEU A 81 88.337 -10.703 7.592 1.00 1.00 H new ATOM 0 HD12 LEU A 81 86.933 -10.152 6.647 1.00 1.00 H new ATOM 0 HD13 LEU A 81 87.551 -11.809 6.441 1.00 1.00 H new ATOM 0 HD21 LEU A 81 90.531 -11.090 6.461 1.00 1.00 H new ATOM 0 HD22 LEU A 81 89.743 -12.194 5.309 1.00 1.00 H new ATOM 0 HD23 LEU A 81 90.691 -10.812 4.710 1.00 1.00 H new ATOM 1206 N ALA A 82 88.532 -8.508 1.153 1.00 1.00 N ATOM 1207 CA ALA A 82 87.777 -8.124 -0.069 1.00 1.00 C ATOM 1208 C ALA A 82 87.904 -9.244 -1.105 1.00 1.00 C ATOM 1209 O ALA A 82 88.076 -10.398 -0.765 1.00 1.00 O ATOM 1210 CB ALA A 82 88.351 -6.824 -0.637 1.00 1.00 C ATOM 0 H ALA A 82 89.295 -7.882 1.409 1.00 1.00 H new ATOM 0 HA ALA A 82 86.726 -7.971 0.177 1.00 1.00 H new ATOM 0 HB1 ALA A 82 87.797 -6.543 -1.533 1.00 1.00 H new ATOM 0 HB2 ALA A 82 88.264 -6.032 0.107 1.00 1.00 H new ATOM 0 HB3 ALA A 82 89.401 -6.970 -0.890 1.00 1.00 H new ATOM 1216 N GLN A 83 87.821 -8.917 -2.365 1.00 1.00 N ATOM 1217 CA GLN A 83 87.940 -9.966 -3.417 1.00 1.00 C ATOM 1218 C GLN A 83 86.959 -11.105 -3.119 1.00 1.00 C ATOM 1219 O GLN A 83 87.131 -12.215 -3.582 1.00 1.00 O ATOM 1220 CB GLN A 83 89.368 -10.528 -3.432 1.00 1.00 C ATOM 1221 CG GLN A 83 90.375 -9.389 -3.261 1.00 1.00 C ATOM 1222 CD GLN A 83 91.034 -9.492 -1.884 1.00 1.00 C ATOM 1223 OE1 GLN A 83 90.496 -9.019 -0.903 1.00 1.00 O ATOM 1224 NE2 GLN A 83 92.185 -10.096 -1.769 1.00 1.00 N ATOM 0 H GLN A 83 87.676 -7.969 -2.712 1.00 1.00 H new ATOM 0 HA GLN A 83 87.711 -9.524 -4.387 1.00 1.00 H new ATOM 0 HB2 GLN A 83 89.490 -11.257 -2.631 1.00 1.00 H new ATOM 0 HB3 GLN A 83 89.553 -11.051 -4.370 1.00 1.00 H new ATOM 0 HG2 GLN A 83 91.133 -9.439 -4.043 1.00 1.00 H new ATOM 0 HG3 GLN A 83 89.873 -8.427 -3.365 1.00 1.00 H new ATOM 0 HE21 GLN A 83 92.637 -10.493 -2.593 1.00 1.00 H new ATOM 0 HE22 GLN A 83 92.633 -10.171 -0.856 1.00 1.00 H new ATOM 1233 N TYR A 84 85.936 -10.846 -2.351 1.00 1.00 N ATOM 1234 CA TYR A 84 84.958 -11.927 -2.034 1.00 1.00 C ATOM 1235 C TYR A 84 83.591 -11.313 -1.710 1.00 1.00 C ATOM 1236 O TYR A 84 82.615 -11.574 -2.383 1.00 1.00 O ATOM 1237 CB TYR A 84 85.460 -12.737 -0.831 1.00 1.00 C ATOM 1238 CG TYR A 84 85.109 -14.193 -1.022 1.00 1.00 C ATOM 1239 CD1 TYR A 84 83.776 -14.571 -1.224 1.00 1.00 C ATOM 1240 CD2 TYR A 84 86.117 -15.165 -0.998 1.00 1.00 C ATOM 1241 CE1 TYR A 84 83.451 -15.921 -1.402 1.00 1.00 C ATOM 1242 CE2 TYR A 84 85.791 -16.515 -1.175 1.00 1.00 C ATOM 1243 CZ TYR A 84 84.459 -16.893 -1.377 1.00 1.00 C ATOM 1244 OH TYR A 84 84.138 -18.224 -1.552 1.00 1.00 O ATOM 0 H TYR A 84 85.735 -9.938 -1.931 1.00 1.00 H new ATOM 0 HA TYR A 84 84.858 -12.585 -2.897 1.00 1.00 H new ATOM 0 HB2 TYR A 84 86.539 -12.623 -0.727 1.00 1.00 H new ATOM 0 HB3 TYR A 84 85.010 -12.361 0.088 1.00 1.00 H new ATOM 0 HD1 TYR A 84 82.999 -13.821 -1.242 1.00 1.00 H new ATOM 0 HD2 TYR A 84 87.145 -14.873 -0.843 1.00 1.00 H new ATOM 0 HE1 TYR A 84 82.423 -16.213 -1.559 1.00 1.00 H new ATOM 0 HE2 TYR A 84 86.568 -17.265 -1.156 1.00 1.00 H new ATOM 0 HH TYR A 84 84.953 -18.766 -1.508 1.00 1.00 H new ATOM 1254 N GLY A 85 83.509 -10.512 -0.678 1.00 1.00 N ATOM 1255 CA GLY A 85 82.197 -9.893 -0.309 1.00 1.00 C ATOM 1256 C GLY A 85 82.398 -8.417 0.034 1.00 1.00 C ATOM 1257 O GLY A 85 81.779 -7.548 -0.549 1.00 1.00 O ATOM 0 H GLY A 85 84.292 -10.259 -0.075 1.00 1.00 H new ATOM 0 HA2 GLY A 85 81.493 -9.991 -1.136 1.00 1.00 H new ATOM 0 HA3 GLY A 85 81.764 -10.418 0.542 1.00 1.00 H new ATOM 1261 N ILE A 86 83.251 -8.123 0.980 1.00 1.00 N ATOM 1262 CA ILE A 86 83.479 -6.697 1.359 1.00 1.00 C ATOM 1263 C ILE A 86 83.853 -5.894 0.111 1.00 1.00 C ATOM 1264 O ILE A 86 85.013 -5.686 -0.178 1.00 1.00 O ATOM 1265 CB ILE A 86 84.617 -6.603 2.381 1.00 1.00 C ATOM 1266 CG1 ILE A 86 84.242 -7.397 3.634 1.00 1.00 C ATOM 1267 CG2 ILE A 86 84.847 -5.138 2.757 1.00 1.00 C ATOM 1268 CD1 ILE A 86 85.406 -7.365 4.627 1.00 1.00 C ATOM 0 H ILE A 86 83.798 -8.806 1.505 1.00 1.00 H new ATOM 0 HA ILE A 86 82.567 -6.294 1.799 1.00 1.00 H new ATOM 0 HB ILE A 86 85.529 -7.014 1.948 1.00 1.00 H new ATOM 0 HG12 ILE A 86 83.348 -6.973 4.092 1.00 1.00 H new ATOM 0 HG13 ILE A 86 84.006 -8.427 3.367 1.00 1.00 H new ATOM 0 HG21 ILE A 86 85.656 -5.072 3.484 1.00 1.00 H new ATOM 0 HG22 ILE A 86 85.113 -4.571 1.865 1.00 1.00 H new ATOM 0 HG23 ILE A 86 83.936 -4.726 3.190 1.00 1.00 H new ATOM 0 HD11 ILE A 86 85.139 -7.931 5.519 1.00 1.00 H new ATOM 0 HD12 ILE A 86 86.289 -7.809 4.167 1.00 1.00 H new ATOM 0 HD13 ILE A 86 85.621 -6.333 4.903 1.00 1.00 H new ATOM 1280 N CYS A 87 82.881 -5.444 -0.632 1.00 1.00 N ATOM 1281 CA CYS A 87 83.180 -4.655 -1.861 1.00 1.00 C ATOM 1282 C CYS A 87 84.005 -3.421 -1.488 1.00 1.00 C ATOM 1283 CB CYS A 87 81.868 -4.217 -2.517 1.00 1.00 C ATOM 1284 SG CYS A 87 80.626 -5.516 -2.303 1.00 1.00 S ATOM 0 H CYS A 87 81.889 -5.589 -0.441 1.00 1.00 H new ATOM 0 HA CYS A 87 83.747 -5.270 -2.560 1.00 1.00 H new ATOM 0 HB2 CYS A 87 81.518 -3.287 -2.070 1.00 1.00 H new ATOM 0 HB3 CYS A 87 82.026 -4.021 -3.577 1.00 1.00 H new TER 1289 CYS A 87 HETATM 1290 C1C RCY A 110 63.948 -13.183 -11.318 1.00 1.00 C HETATM 1291 O1G RCY A 110 59.972 -14.507 -9.818 1.00 1.00 O HETATM 1292 O1H RCY A 110 64.492 -14.873 -8.501 1.00 1.00 O HETATM 1293 O1J RCY A 110 66.288 -14.838 -10.394 1.00 1.00 O HETATM 1294 C1L RCY A 110 61.137 -14.112 -7.703 1.00 1.00 C HETATM 1295 C1M RCY A 110 63.091 -16.782 -11.235 1.00 1.00 C HETATM 1296 C1P RCY A 110 61.019 -14.532 -9.174 1.00 1.00 C HETATM 1297 C1Q RCY A 110 63.263 -14.925 -8.510 1.00 1.00 C HETATM 1298 N1R RCY A 110 62.364 -14.985 -9.739 1.00 1.00 N HETATM 1299 C1S RCY A 110 62.358 -14.940 -7.291 1.00 1.00 C HETATM 1300 C1U RCY A 110 62.727 -15.396 -11.167 1.00 1.00 C HETATM 1301 C1V RCY A 110 64.129 -14.864 -13.207 1.00 1.00 C HETATM 1302 N1V RCY A 110 65.057 -15.398 -10.943 1.00 1.00 N HETATM 1303 C1W RCY A 110 64.584 -16.849 -10.886 1.00 1.00 C HETATM 1304 C1X RCY A 110 63.958 -14.665 -11.700 1.00 1.00 C HETATM 1305 C1Y RCY A 110 65.339 -17.699 -11.912 1.00 1.00 C HETATM 1306 C1Z RCY A 110 64.800 -17.391 -9.473 1.00 1.00 C HETATM 0 H1ZB RCY A 110 64.305 -16.739 -8.754 1.00 1.00 H new HETATM 0 H1ZA RCY A 110 64.382 -18.395 -9.401 1.00 1.00 H new HETATM 0 H1YB RCY A 110 64.932 -18.710 -11.917 1.00 1.00 H new HETATM 0 H1YA RCY A 110 65.227 -17.258 -12.903 1.00 1.00 H new HETATM 0 H1VB RCY A 110 63.306 -14.381 -13.733 1.00 1.00 H new HETATM 0 H1VA RCY A 110 65.073 -14.423 -13.528 1.00 1.00 H new HETATM 0 H1Z RCY A 110 65.868 -17.426 -9.256 1.00 1.00 H new HETATM 0 H1Y RCY A 110 66.396 -17.735 -11.648 1.00 1.00 H new HETATM 0 H1V RCY A 110 64.131 -15.930 -13.435 1.00 1.00 H new HETATM 0 H1S RCY A 110 62.074 -15.957 -7.021 1.00 1.00 H new HETATM 0 H1M RCY A 110 62.905 -17.185 -12.231 1.00 1.00 H new HETATM 0 H1L RCY A 110 60.248 -14.363 -7.125 1.00 1.00 H new HETATM 0 H1C RCY A 110 64.840 -12.699 -11.716 1.00 1.00 H new HETATM 1309 C1C RCY A 121 59.883 -1.034 5.073 1.00 1.00 C HETATM 1310 O1G RCY A 121 62.949 -0.383 6.621 1.00 1.00 O HETATM 1311 O1H RCY A 121 62.320 -4.908 5.423 1.00 1.00 O HETATM 1312 O1J RCY A 121 61.569 1.454 5.268 1.00 1.00 O HETATM 1313 C1L RCY A 121 63.207 -2.490 7.839 1.00 1.00 C HETATM 1314 C1M RCY A 121 63.124 -1.475 3.341 1.00 1.00 C HETATM 1315 C1P RCY A 121 62.850 -1.609 6.635 1.00 1.00 C HETATM 1316 C1Q RCY A 121 62.326 -3.848 6.047 1.00 1.00 C HETATM 1317 N1R RCY A 121 62.356 -2.444 5.455 1.00 1.00 N HETATM 1318 C1S RCY A 121 62.306 -3.697 7.557 1.00 1.00 C HETATM 1319 C1U RCY A 121 61.984 -1.997 4.039 1.00 1.00 C HETATM 1320 C1V RCY A 121 60.405 -0.609 2.629 1.00 1.00 C HETATM 1321 N1V RCY A 121 61.894 0.310 4.420 1.00 1.00 N HETATM 1322 C1W RCY A 121 63.223 0.005 3.732 1.00 1.00 C HETATM 1323 C1X RCY A 121 60.983 -0.844 4.026 1.00 1.00 C HETATM 1324 C1Y RCY A 121 63.395 0.881 2.488 1.00 1.00 C HETATM 1325 C1Z RCY A 121 64.364 0.242 4.721 1.00 1.00 C HETATM 0 H1ZA RCY A 121 65.308 -0.061 4.267 1.00 1.00 H new HETATM 0 H1YB RCY A 121 64.306 0.593 1.963 1.00 1.00 H new HETATM 0 H1YA RCY A 121 62.538 0.747 1.828 1.00 1.00 H new HETATM 0 H1VB RCY A 121 59.800 -1.467 2.337 1.00 1.00 H new HETATM 0 H1MA RCY A 121 64.031 -2.013 3.619 1.00 1.00 H new HETATM 0 H1LA RCY A 121 64.264 -2.755 7.864 1.00 1.00 H new HETATM 0 H1CB RCY A 121 59.342 -1.958 4.869 1.00 1.00 H new HETATM 0 H1CA RCY A 121 60.331 -1.087 6.065 1.00 1.00 H new HETATM 0 H1Z RCY A 121 64.408 1.300 4.979 1.00 1.00 H new HETATM 0 H1Y RCY A 121 63.463 1.927 2.786 1.00 1.00 H new HETATM 0 H1U RCY A 121 61.571 -2.892 3.574 1.00 1.00 H new HETATM 0 H1S RCY A 121 61.294 -3.530 7.925 1.00 1.00 H new HETATM 0 H1M RCY A 121 63.005 -1.586 2.263 1.00 1.00 H new HETATM 0 H1L RCY A 121 62.976 -2.010 8.790 1.00 1.00 H new HETATM 0 H1C RCY A 121 59.192 -0.192 5.031 1.00 1.00 H new HETATM 1328 C1C RCY A 130 68.594 18.072 2.614 1.00 1.00 C HETATM 1329 O1G RCY A 130 70.261 16.304 1.105 1.00 1.00 O HETATM 1330 O1H RCY A 130 68.332 12.622 3.344 1.00 1.00 O HETATM 1331 O1J RCY A 130 66.130 18.827 4.173 1.00 1.00 O HETATM 1332 C1L RCY A 130 70.976 13.989 1.445 1.00 1.00 C HETATM 1333 C1M RCY A 130 66.744 15.068 3.730 1.00 1.00 C HETATM 1334 C1P RCY A 130 70.052 15.202 1.609 1.00 1.00 C HETATM 1335 C1Q RCY A 130 69.140 13.444 2.915 1.00 1.00 C HETATM 1336 N1R RCY A 130 68.839 14.871 2.477 1.00 1.00 N HETATM 1337 C1S RCY A 130 70.629 13.220 2.725 1.00 1.00 C HETATM 1338 C1U RCY A 130 67.628 15.741 2.822 1.00 1.00 C HETATM 1339 C1V RCY A 130 68.941 16.741 4.743 1.00 1.00 C HETATM 1340 N1V RCY A 130 66.642 17.465 4.061 1.00 1.00 N HETATM 1341 C1W RCY A 130 65.924 16.165 4.420 1.00 1.00 C HETATM 1342 C1X RCY A 130 68.010 17.022 3.561 1.00 1.00 C HETATM 1343 C1Y RCY A 130 65.917 15.959 5.937 1.00 1.00 C HETATM 1344 C1Z RCY A 130 64.496 16.216 3.877 1.00 1.00 C HETATM 0 H1ZA RCY A 130 64.007 15.257 4.050 1.00 1.00 H new HETATM 0 H1YB RCY A 130 65.477 14.990 6.171 1.00 1.00 H new HETATM 0 H1YA RCY A 130 66.939 15.993 6.314 1.00 1.00 H new HETATM 0 H1VB RCY A 130 69.898 16.373 4.373 1.00 1.00 H new HETATM 0 H1VA RCY A 130 69.100 17.660 5.308 1.00 1.00 H new HETATM 0 H1LA RCY A 130 70.758 13.417 0.543 1.00 1.00 H new HETATM 0 H1CB RCY A 130 69.489 17.673 2.136 1.00 1.00 H new HETATM 0 H1CA RCY A 130 67.857 18.324 1.851 1.00 1.00 H new HETATM 0 H1Z RCY A 130 63.941 17.004 4.386 1.00 1.00 H new HETATM 0 H1Y RCY A 130 65.330 16.747 6.409 1.00 1.00 H new HETATM 0 H1V RCY A 130 68.489 15.990 5.391 1.00 1.00 H new HETATM 0 H1U RCY A 130 67.168 15.956 1.858 1.00 1.00 H new HETATM 0 H1S RCY A 130 71.198 13.592 3.577 1.00 1.00 H new HETATM 0 H1L RCY A 130 72.028 14.269 1.399 1.00 1.00 H new HETATM 0 H1C RCY A 130 68.853 18.968 3.179 1.00 1.00 H new HETATM 1347 C1C RCY A 138 82.099 4.533 -4.192 1.00 1.00 C HETATM 1348 O1G RCY A 138 79.852 -0.164 -2.821 1.00 1.00 O HETATM 1349 O1H RCY A 138 80.995 2.844 -6.277 1.00 1.00 O HETATM 1350 O1J RCY A 138 82.312 5.668 -1.410 1.00 1.00 O HETATM 1351 C1L RCY A 138 80.175 -0.428 -5.233 1.00 1.00 C HETATM 1352 C1M RCY A 138 80.230 2.466 -1.757 1.00 1.00 C HETATM 1353 C1P RCY A 138 80.092 0.350 -3.913 1.00 1.00 C HETATM 1354 C1Q RCY A 138 80.469 1.935 -5.638 1.00 1.00 C HETATM 1355 N1R RCY A 138 80.346 1.842 -4.122 1.00 1.00 N HETATM 1356 C1S RCY A 138 79.820 0.691 -6.218 1.00 1.00 C HETATM 1357 C1U RCY A 138 80.451 2.962 -3.085 1.00 1.00 C HETATM 1358 C1V RCY A 138 82.936 2.514 -2.907 1.00 1.00 C HETATM 1359 N1V RCY A 138 81.735 4.363 -1.719 1.00 1.00 N HETATM 1360 C1W RCY A 138 80.886 3.478 -0.809 1.00 1.00 C HETATM 1361 C1X RCY A 138 81.846 3.581 -3.021 1.00 1.00 C HETATM 1362 C1Y RCY A 138 81.768 2.762 0.217 1.00 1.00 C HETATM 1363 C1Z RCY A 138 79.837 4.342 -0.108 1.00 1.00 C HETATM 0 H1ZB RCY A 138 79.259 4.889 -0.853 1.00 1.00 H new HETATM 0 H1ZA RCY A 138 79.170 3.705 0.473 1.00 1.00 H new HETATM 0 H1YB RCY A 138 81.159 2.073 0.803 1.00 1.00 H new HETATM 0 H1YA RCY A 138 82.549 2.205 -0.300 1.00 1.00 H new HETATM 0 H1VB RCY A 138 82.967 1.926 -3.824 1.00 1.00 H new HETATM 0 H1VA RCY A 138 83.902 2.995 -2.752 1.00 1.00 H new HETATM 0 H1MA RCY A 138 79.164 2.371 -1.549 1.00 1.00 H new HETATM 0 H1LA RCY A 138 81.167 -0.842 -5.412 1.00 1.00 H new HETATM 0 H1CB RCY A 138 82.010 3.987 -5.131 1.00 1.00 H new HETATM 0 H1CA RCY A 138 81.366 5.339 -4.170 1.00 1.00 H new HETATM 0 H1Z RCY A 138 80.333 5.049 0.557 1.00 1.00 H new HETATM 0 H1Y RCY A 138 82.224 3.497 0.880 1.00 1.00 H new HETATM 0 H1V RCY A 138 82.718 1.860 -2.063 1.00 1.00 H new HETATM 0 H1U RCY A 138 79.703 3.690 -3.399 1.00 1.00 H new HETATM 0 H1S RCY A 138 78.740 0.812 -6.307 1.00 1.00 H new HETATM 0 H1M RCY A 138 80.668 1.476 -1.633 1.00 1.00 H new HETATM 0 H1L RCY A 138 79.470 -1.259 -5.273 1.00 1.00 H new HETATM 0 H1C RCY A 138 83.102 4.952 -4.110 1.00 1.00 H new HETATM 1366 C1C RCY A 150 86.489 0.914 4.505 1.00 1.00 C HETATM 1367 O1G RCY A 150 86.481 3.803 2.213 1.00 1.00 O HETATM 1368 O1H RCY A 150 86.647 5.196 6.723 1.00 1.00 O HETATM 1369 O1J RCY A 150 83.816 -0.470 4.574 1.00 1.00 O HETATM 1370 C1L RCY A 150 87.706 5.575 3.376 1.00 1.00 C HETATM 1371 C1M RCY A 150 83.722 3.360 4.733 1.00 1.00 C HETATM 1372 C1P RCY A 150 86.715 4.410 3.258 1.00 1.00 C HETATM 1373 C1Q RCY A 150 86.609 5.198 5.493 1.00 1.00 C HETATM 1374 N1R RCY A 150 86.054 4.096 4.599 1.00 1.00 N HETATM 1375 C1S RCY A 150 87.110 6.305 4.584 1.00 1.00 C HETATM 1376 C1U RCY A 150 85.084 2.970 4.962 1.00 1.00 C HETATM 1377 C1V RCY A 150 85.291 2.080 2.600 1.00 1.00 C HETATM 1378 N1V RCY A 150 83.986 0.972 4.429 1.00 1.00 N HETATM 1379 C1W RCY A 150 82.924 2.059 4.583 1.00 1.00 C HETATM 1380 C1X RCY A 150 85.263 1.729 4.089 1.00 1.00 C HETATM 1381 C1Y RCY A 150 82.030 2.115 3.341 1.00 1.00 C HETATM 1382 C1Z RCY A 150 82.092 1.771 5.833 1.00 1.00 C HETATM 0 H1YB RCY A 150 81.333 2.948 3.432 1.00 1.00 H new HETATM 0 H1YA RCY A 150 82.648 2.254 2.454 1.00 1.00 H new HETATM 0 H1VB RCY A 150 86.182 2.668 2.382 1.00 1.00 H new HETATM 0 H1VA RCY A 150 85.308 1.163 2.010 1.00 1.00 H new HETATM 0 H1MA RCY A 150 83.343 3.956 5.563 1.00 1.00 H new HETATM 0 H1LA RCY A 150 88.727 5.238 3.554 1.00 1.00 H new HETATM 0 H1CB RCY A 150 87.384 1.530 4.412 1.00 1.00 H new HETATM 0 H1CA RCY A 150 86.377 0.591 5.540 1.00 1.00 H new HETATM 0 H1Y RCY A 150 81.472 1.183 3.252 1.00 1.00 H new HETATM 0 H1V RCY A 150 84.403 2.659 2.346 1.00 1.00 H new HETATM 0 H1U RCY A 150 85.298 2.758 6.010 1.00 1.00 H new HETATM 0 H1S RCY A 150 86.299 6.969 4.285 1.00 1.00 H new HETATM 0 H1M RCY A 150 83.638 3.974 3.836 1.00 1.00 H new HETATM 0 H1L RCY A 150 87.727 6.197 2.481 1.00 1.00 H new HETATM 0 H1C RCY A 150 86.581 0.040 3.860 1.00 1.00 H new HETATM 1385 C1C RCY A 160 72.659 4.563 3.916 1.00 1.00 C HETATM 1386 O1G RCY A 160 76.215 6.452 5.275 1.00 1.00 O HETATM 1387 O1H RCY A 160 72.308 8.037 3.149 1.00 1.00 O HETATM 1388 O1J RCY A 160 70.926 6.013 1.926 1.00 1.00 O HETATM 1389 C1L RCY A 160 74.665 8.281 5.767 1.00 1.00 C HETATM 1390 C1M RCY A 160 74.708 6.259 1.343 1.00 1.00 C HETATM 1391 C1P RCY A 160 75.222 7.104 4.955 1.00 1.00 C HETATM 1392 C1Q RCY A 160 73.385 7.986 3.741 1.00 1.00 C HETATM 1393 N1R RCY A 160 74.392 6.843 3.700 1.00 1.00 N HETATM 1394 C1S RCY A 160 73.958 9.057 4.651 1.00 1.00 C HETATM 1395 C1U RCY A 160 74.527 5.726 2.663 1.00 1.00 C HETATM 1396 C1V RCY A 160 73.516 3.599 1.733 1.00 1.00 C HETATM 1397 N1V RCY A 160 72.365 5.823 1.771 1.00 1.00 N HETATM 1398 C1W RCY A 160 73.301 6.534 0.796 1.00 1.00 C HETATM 1399 C1X RCY A 160 73.266 4.871 2.546 1.00 1.00 C HETATM 1400 C1Y RCY A 160 73.149 5.953 -0.612 1.00 1.00 C HETATM 1401 C1Z RCY A 160 72.986 8.029 0.800 1.00 1.00 C HETATM 0 H1ZB RCY A 160 73.042 8.410 1.820 1.00 1.00 H new HETATM 0 H1ZA RCY A 160 73.709 8.555 0.176 1.00 1.00 H new HETATM 0 H1YB RCY A 160 73.882 6.411 -1.276 1.00 1.00 H new HETATM 0 H1YA RCY A 160 73.312 4.876 -0.581 1.00 1.00 H new HETATM 0 H1VB RCY A 160 74.206 2.951 2.274 1.00 1.00 H new HETATM 0 H1VA RCY A 160 72.573 3.075 1.578 1.00 1.00 H new HETATM 0 H1MA RCY A 160 75.301 7.173 1.370 1.00 1.00 H new HETATM 0 H1LA RCY A 160 73.979 7.960 6.551 1.00 1.00 H new HETATM 0 H1Z RCY A 160 71.982 8.190 0.407 1.00 1.00 H new HETATM 0 H1Y RCY A 160 72.145 6.158 -0.984 1.00 1.00 H new HETATM 0 H1V RCY A 160 73.947 3.863 0.767 1.00 1.00 H new HETATM 0 H1U RCY A 160 75.379 5.140 3.008 1.00 1.00 H new HETATM 0 H1S RCY A 160 74.654 9.702 4.114 1.00 1.00 H new HETATM 0 H1M RCY A 160 75.242 5.552 0.707 1.00 1.00 H new HETATM 0 H1L RCY A 160 75.450 8.864 6.249 1.00 1.00 H new HETATM 1404 C1C RCY A 168 72.840 -3.001 0.738 1.00 1.00 C HETATM 1405 O1G RCY A 168 70.465 -4.589 4.037 1.00 1.00 O HETATM 1406 O1H RCY A 168 70.046 -0.078 2.704 1.00 1.00 O HETATM 1407 O1J RCY A 168 71.831 -3.048 -2.099 1.00 1.00 O HETATM 1408 C1L RCY A 168 70.283 -2.486 5.275 1.00 1.00 C HETATM 1409 C1M RCY A 168 69.168 -2.555 0.616 1.00 1.00 C HETATM 1410 C1P RCY A 168 70.386 -3.362 4.020 1.00 1.00 C HETATM 1411 C1Q RCY A 168 70.380 -1.101 3.300 1.00 1.00 C HETATM 1412 N1R RCY A 168 70.377 -2.519 2.745 1.00 1.00 N HETATM 1413 C1S RCY A 168 70.874 -1.180 4.733 1.00 1.00 C HETATM 1414 C1U RCY A 168 70.367 -2.973 1.284 1.00 1.00 C HETATM 1415 C1V RCY A 168 71.545 -0.823 0.647 1.00 1.00 C HETATM 1416 N1V RCY A 168 71.014 -2.681 -0.947 1.00 1.00 N HETATM 1417 C1W RCY A 168 69.493 -2.551 -0.883 1.00 1.00 C HETATM 1418 C1X RCY A 168 71.488 -2.340 0.460 1.00 1.00 C HETATM 1419 C1Y RCY A 168 69.040 -1.239 -1.529 1.00 1.00 C HETATM 1420 C1Z RCY A 168 68.859 -3.748 -1.592 1.00 1.00 C HETATM 0 H1ZB RCY A 168 69.240 -4.672 -1.157 1.00 1.00 H new HETATM 0 H1ZA RCY A 168 67.776 -3.710 -1.472 1.00 1.00 H new HETATM 0 H1YB RCY A 168 67.964 -1.123 -1.401 1.00 1.00 H new HETATM 0 H1YA RCY A 168 69.554 -0.403 -1.054 1.00 1.00 H new HETATM 0 H1VB RCY A 168 71.832 -0.593 1.673 1.00 1.00 H new HETATM 0 H1VA RCY A 168 72.279 -0.399 -0.038 1.00 1.00 H new HETATM 0 H1MA RCY A 168 68.344 -3.234 0.834 1.00 1.00 H new HETATM 0 H1LA RCY A 168 69.255 -2.368 5.618 1.00 1.00 H new HETATM 0 H1CB RCY A 168 73.088 -2.892 1.794 1.00 1.00 H new HETATM 0 H1CA RCY A 168 72.786 -4.060 0.486 1.00 1.00 H new HETATM 0 H1Z RCY A 168 69.108 -3.716 -2.653 1.00 1.00 H new HETATM 0 H1Y RCY A 168 69.279 -1.255 -2.592 1.00 1.00 H new HETATM 0 H1V RCY A 168 70.565 -0.394 0.440 1.00 1.00 H new HETATM 0 H1U RCY A 168 70.471 -4.057 1.338 1.00 1.00 H new HETATM 0 H1S RCY A 168 71.963 -1.190 4.777 1.00 1.00 H new HETATM 0 H1M RCY A 168 68.861 -1.564 0.951 1.00 1.00 H new HETATM 0 H1L RCY A 168 70.855 -2.887 6.112 1.00 1.00 H new HETATM 0 H1C RCY A 168 73.610 -2.523 0.133 1.00 1.00 H new HETATM 1423 C1C RCY A 173 81.113 1.094 6.250 1.00 1.00 C HETATM 1424 O1G RCY A 173 81.425 -0.598 8.289 1.00 1.00 O HETATM 1425 O1H RCY A 173 77.596 -3.114 7.144 1.00 1.00 O HETATM 1426 O1J RCY A 173 79.465 2.803 4.397 1.00 1.00 O HETATM 1427 C1L RCY A 173 80.379 -2.589 9.253 1.00 1.00 C HETATM 1428 C1M RCY A 173 77.718 -0.310 5.799 1.00 1.00 C HETATM 1429 C1P RCY A 173 80.505 -1.414 8.275 1.00 1.00 C HETATM 1430 C1Q RCY A 173 78.466 -2.522 7.782 1.00 1.00 C HETATM 1431 N1R RCY A 173 79.345 -1.384 7.280 1.00 1.00 N HETATM 1432 C1S RCY A 173 78.860 -2.794 9.222 1.00 1.00 C HETATM 1433 C1U RCY A 173 79.117 -0.455 6.086 1.00 1.00 C HETATM 1434 C1V RCY A 173 79.059 1.515 7.676 1.00 1.00 C HETATM 1435 N1V RCY A 173 78.928 1.695 5.181 1.00 1.00 N HETATM 1436 C1W RCY A 173 77.578 1.001 5.015 1.00 1.00 C HETATM 1437 C1X RCY A 173 79.590 0.973 6.347 1.00 1.00 C HETATM 1438 C1Y RCY A 173 76.457 1.863 5.604 1.00 1.00 C HETATM 1439 C1Z RCY A 173 77.330 0.737 3.530 1.00 1.00 C HETATM 0 H1ZB RCY A 173 78.166 0.174 3.116 1.00 1.00 H new HETATM 0 H1ZA RCY A 173 76.411 0.163 3.411 1.00 1.00 H new HETATM 0 H1YB RCY A 173 75.514 1.318 5.553 1.00 1.00 H new HETATM 0 H1VB RCY A 173 79.499 0.953 8.500 1.00 1.00 H new HETATM 0 H1VA RCY A 173 79.325 2.568 7.772 1.00 1.00 H new HETATM 0 H1MA RCY A 173 77.350 -1.154 5.216 1.00 1.00 H new HETATM 0 H1LA RCY A 173 80.926 -3.471 8.919 1.00 1.00 H new HETATM 0 H1CB RCY A 173 81.578 0.440 6.988 1.00 1.00 H new HETATM 0 H1Z RCY A 173 77.235 1.686 3.003 1.00 1.00 H new HETATM 0 H1Y RCY A 173 76.373 2.789 5.035 1.00 1.00 H new HETATM 0 H1V RCY A 173 77.974 1.410 7.704 1.00 1.00 H new HETATM 0 H1S RCY A 173 78.354 -2.113 9.907 1.00 1.00 H new HETATM 0 H1M RCY A 173 77.133 -0.279 6.718 1.00 1.00 H new HETATM 0 H1L RCY A 173 80.747 -2.344 10.249 1.00 1.00 H new HETATM 1442 C1C RCY A 176 79.980 -0.504 5.344 1.00 1.00 C HETATM 1443 O1G RCY A 176 83.953 -3.264 6.685 1.00 1.00 O HETATM 1444 O1H RCY A 176 80.224 -1.445 8.939 1.00 1.00 O HETATM 1445 O1J RCY A 176 77.972 -2.172 3.842 1.00 1.00 O HETATM 1446 C1L RCY A 176 83.664 -2.240 8.888 1.00 1.00 C HETATM 1447 C1M RCY A 176 80.319 -4.091 6.190 1.00 1.00 C HETATM 1448 C1P RCY A 176 83.216 -2.709 7.498 1.00 1.00 C HETATM 1449 C1Q RCY A 176 81.360 -1.627 8.504 1.00 1.00 C HETATM 1450 N1R RCY A 176 81.741 -2.401 7.249 1.00 1.00 N HETATM 1451 C1S RCY A 176 82.648 -1.117 9.125 1.00 1.00 C HETATM 1452 C1U RCY A 176 80.862 -2.770 6.052 1.00 1.00 C HETATM 1453 C1V RCY A 176 78.872 -1.760 7.248 1.00 1.00 C HETATM 1454 N1V RCY A 176 78.815 -2.681 4.919 1.00 1.00 N HETATM 1455 C1W RCY A 176 79.078 -4.139 5.290 1.00 1.00 C HETATM 1456 C1X RCY A 176 79.629 -1.876 5.923 1.00 1.00 C HETATM 1457 C1Y RCY A 176 77.884 -4.722 6.051 1.00 1.00 C HETATM 1458 C1Z RCY A 176 79.347 -4.939 4.015 1.00 1.00 C HETATM 0 H1ZB RCY A 176 80.161 -4.474 3.459 1.00 1.00 H new HETATM 0 H1ZA RCY A 176 79.624 -5.960 4.278 1.00 1.00 H new HETATM 0 H1YB RCY A 176 78.121 -5.734 6.380 1.00 1.00 H new HETATM 0 H1YA RCY A 176 77.667 -4.100 6.919 1.00 1.00 H new HETATM 0 H1MA RCY A 176 81.047 -4.845 5.890 1.00 1.00 H new HETATM 0 H1LA RCY A 176 83.596 -3.029 9.637 1.00 1.00 H new HETATM 0 H1CA RCY A 176 80.417 -0.628 4.353 1.00 1.00 H new HETATM 0 H1Z RCY A 176 78.448 -4.954 3.399 1.00 1.00 H new HETATM 0 H1Y RCY A 176 77.013 -4.748 5.396 1.00 1.00 H new HETATM 0 H1U RCY A 176 81.524 -2.668 5.192 1.00 1.00 H new HETATM 0 H1S RCY A 176 82.971 -0.186 8.659 1.00 1.00 H new HETATM 0 H1M RCY A 176 80.056 -4.297 7.227 1.00 1.00 H new HETATM 0 H1L RCY A 176 84.693 -1.881 8.896 1.00 1.00 H new HETATM 1461 C1C RCY A 187 75.800 -1.741 -0.303 1.00 1.00 C HETATM 1462 O1G RCY A 187 75.802 -3.803 -1.851 1.00 1.00 O HETATM 1463 O1H RCY A 187 80.341 -2.532 -2.139 1.00 1.00 O HETATM 1464 O1J RCY A 187 78.057 -0.947 1.526 1.00 1.00 O HETATM 1465 C1L RCY A 187 77.895 -5.069 -1.915 1.00 1.00 C HETATM 1466 C1M RCY A 187 78.579 -0.200 -2.199 1.00 1.00 C HETATM 1467 C1P RCY A 187 77.029 -3.803 -1.948 1.00 1.00 C HETATM 1468 C1Q RCY A 187 79.275 -3.124 -2.297 1.00 1.00 C HETATM 1469 N1R RCY A 187 77.878 -2.544 -2.117 1.00 1.00 N HETATM 1470 C1S RCY A 187 79.109 -4.575 -2.710 1.00 1.00 C HETATM 1471 C1U RCY A 187 77.447 -1.076 -2.108 1.00 1.00 C HETATM 1472 C1V RCY A 187 76.088 0.700 -0.921 1.00 1.00 C HETATM 1473 N1V RCY A 187 77.977 -0.576 0.116 1.00 1.00 N HETATM 1474 C1W RCY A 187 79.089 -0.010 -0.765 1.00 1.00 C HETATM 1475 C1X RCY A 187 76.767 -0.666 -0.803 1.00 1.00 C HETATM 1476 C1Y RCY A 187 79.309 1.475 -0.464 1.00 1.00 C HETATM 1477 C1Z RCY A 187 80.373 -0.805 -0.523 1.00 1.00 C HETATM 0 H1ZB RCY A 187 80.180 -1.866 -0.685 1.00 1.00 H new HETATM 0 H1ZA RCY A 187 81.146 -0.467 -1.214 1.00 1.00 H new HETATM 0 H1YB RCY A 187 80.045 1.882 -1.157 1.00 1.00 H new HETATM 0 H1YA RCY A 187 78.368 2.013 -0.578 1.00 1.00 H new HETATM 0 H1VB RCY A 187 75.258 0.634 -1.624 1.00 1.00 H new HETATM 0 H1VA RCY A 187 75.713 1.006 0.056 1.00 1.00 H new HETATM 0 H1LA RCY A 187 78.155 -5.371 -0.900 1.00 1.00 H new HETATM 0 H1CB RCY A 187 75.027 -1.912 -1.052 1.00 1.00 H new HETATM 0 H1CA RCY A 187 76.346 -2.668 -0.127 1.00 1.00 H new HETATM 0 H1Z RCY A 187 80.709 -0.650 0.502 1.00 1.00 H new HETATM 0 H1Y RCY A 187 79.671 1.589 0.558 1.00 1.00 H new HETATM 0 H1V RCY A 187 76.809 1.435 -1.279 1.00 1.00 H new HETATM 0 H1U RCY A 187 76.770 -0.989 -2.958 1.00 1.00 H new HETATM 0 H1S RCY A 187 78.943 -4.665 -3.783 1.00 1.00 H new HETATM 0 H1M RCY A 187 78.297 0.755 -2.642 1.00 1.00 H new HETATM 0 H1L RCY A 187 77.406 -5.922 -2.386 1.00 1.00 H new HETATM 0 H1C RCY A 187 75.338 -1.410 0.627 1.00 1.00 H new