USER MOD reduce.3.24.130724 H: found=0, std=0, add=788, rem=0, adj=14 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 10 CYS H : A 10 CYS N : A 110 RCY O1H :(H bumps) USER MOD NoAdj-H: A 110 RCYH1SA : A 110 RCY C1S : A 10 CYS SG :(H bumps) USER MOD NoAdj-H: A 121 RCYH1YB : A 121 RCY C1Y : A 24 ARG CG :(H bumps) USER MOD NoAdj-H: A 121 RCYH1YA : A 121 RCY C1Y : A 24 ARG CG :(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 H1Y : A 121 RCY C1Y : A 24 ARG CG :(H bumps) USER MOD NoAdj-H: A 130 RCYH1SA : A 130 RCY C1S : A 30 CYS SG :(H bumps) USER MOD NoAdj-H: A 138 RCYH1SA : A 138 RCY C1S : A 38 CYS SG :(H bumps) USER MOD NoAdj-H: A 150 RCYH1YA : A 150 RCY C1Y : A 187 RCY C1Z :(H bumps) USER MOD NoAdj-H: A 150 RCYH1VB : A 150 RCY C1V : A 187 RCY C1Y :(H bumps) USER MOD NoAdj-H: A 150 RCYH1VA : A 150 RCY C1V : A 187 RCY C1W :(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 H1V : A 150 RCY C1V : A 187 RCY C1Y :(H bumps) USER MOD NoAdj-H: A 160 RCYH1ZA : A 160 RCY C1Z : A 168 RCY O1H :(H bumps) USER MOD NoAdj-H: A 160 RCYH1YA : A 160 RCY C1Y : A 168 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 RCYH1MA : A 160 RCY C1M : A 168 RCY C1V :(H bumps) USER MOD NoAdj-H: A 160 RCYH1LA : A 160 RCY C1L : A 168 RCY C1V :(H bumps) USER MOD NoAdj-H: A 160 RCY H1M : A 160 RCY C1M : A 168 RCY C1V :(H bumps) USER MOD NoAdj-H: A 160 RCY H1L : A 160 RCY C1L : A 168 RCY C1V :(H bumps) USER MOD NoAdj-H: A 168 RCYH1VB : A 168 RCY C1V : A 160 RCY C1M :(H bumps) USER MOD NoAdj-H: A 168 RCYH1VA : A 168 RCY C1V : A 160 RCY C1M :(H bumps) USER MOD NoAdj-H: A 168 RCYH1SA : A 168 RCY C1S : A 68 CYS SG :(H bumps) USER MOD NoAdj-H: A 168 RCYH1CB : A 168 RCY C1C : A 160 RCY C1Y :(H bumps) USER MOD NoAdj-H: A 168 RCYH1CA : A 168 RCY C1C : A 160 RCY C1Y :(H bumps) USER MOD NoAdj-H: A 168 RCY H1U : A 168 RCY C1U : A 173 RCY C1V :(H bumps) USER MOD NoAdj-H: A 168 RCY H1C : A 168 RCY C1C : A 160 RCY C1W :(H bumps) USER MOD NoAdj-H: A 173 RCYH1VB : A 173 RCY C1V : A 168 RCY C1P :(H bumps) USER MOD NoAdj-H: A 173 RCYH1VA : A 173 RCY C1V : A 168 RCY C1U :(H bumps) USER MOD NoAdj-H: A 173 RCYH1SA : A 173 RCY C1S : A 73 CYS SG :(H bumps) USER MOD NoAdj-H: A 173 RCYH1CB : A 173 RCY C1C : A 176 RCY C1X :(H bumps) USER MOD NoAdj-H: A 173 RCYH1CA : A 173 RCY C1C : A 176 RCY C1X :(H bumps) USER MOD NoAdj-H: A 173 RCY H1V : A 173 RCY C1V : A 168 RCY N1R :(H bumps) USER MOD NoAdj-H: A 173 RCY H1U : A 173 RCY C1U : A 168 RCY O1G :(H bumps) USER MOD NoAdj-H: A 173 RCY H1C : A 173 RCY C1C : A 176 RCY C1V :(H bumps) USER MOD NoAdj-H: A 176 RCYH1SA : A 176 RCY C1S : A 76 CYS SG :(H bumps) USER MOD NoAdj-H: A 176 RCY H1V : A 176 RCY C1V : A 173 RCY C1C :(H bumps) USER MOD NoAdj-H: A 176 RCY H1C : A 176 RCY C1C : A 173 RCY N1R :(H bumps) USER MOD NoAdj-H: A 187 RCYH1ZB : A 187 RCY C1Z : A 150 RCY C1Y :(H bumps) USER MOD NoAdj-H: A 187 RCYH1ZA : A 187 RCY C1Z : A 150 RCY C1Y :(H bumps) USER MOD NoAdj-H: A 187 RCYH1YB : A 187 RCY C1Y : A 150 RCY C1V :(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 150 RCY C1V :(H bumps) USER MOD NoAdj-H: A 187 RCY H1M : A 187 RCY C1M : A 150 RCY C1V :(H bumps) USER MOD Set 1.1: A 62 THR OG1 : rot 146:sc= -0.59 USER MOD Set 1.2: A 65 THR OG1 : rot -24:sc= 0.421! USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -158:sc= -0.0869 (180deg=-0.811) USER MOD Single : A 2 ASN : amide:sc= -2.45! C(o=-2.4!,f=-7!) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0.00307 USER MOD Single : A 14 THR OG1 : rot -30:sc= 0.149! USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.518 USER MOD Single : A 25 LYS NZ :NH3+ -117:sc= -2.2 (180deg=-3.44!) USER MOD Single : A 29 LYS NZ :NH3+ -163:sc= -0.0317 (180deg=-0.442) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 GLN : amide:sc= -4.45! C(o=-4.5!,f=-10!) USER MOD Single : A 34 GLN : amide:sc= -0.168 K(o=-0.17,f=-2.5!) USER MOD Single : A 35 THR OG1 : rot -41:sc= -0.435 USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot -0:sc= 1.12 USER MOD Single : A 41 LYS NZ :NH3+ 146:sc= -0.0557 (180deg=-0.836) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ -127:sc= -1.74 (180deg=-4.43!) USER MOD Single : A 48 GLN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc= -7.1! C(o=-7.1!,f=-6.8!) USER MOD Single : A 75 HIS :FLIP no HD1:sc= -1.01 F(o=-2.1!,f=-1) USER MOD Single : A 79 HIS : no HD1:sc= -5.54! C(o=-5.5!,f=-7!) USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 84 TYR OH : rot 99:sc= 0.443 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 67.378 -16.440 -15.128 1.00 1.00 N ATOM 2 CA MET A 1 66.039 -16.267 -15.758 1.00 1.00 C ATOM 3 C MET A 1 65.578 -14.818 -15.587 1.00 1.00 C ATOM 4 O MET A 1 65.990 -13.936 -16.313 1.00 1.00 O ATOM 5 CB MET A 1 65.034 -17.206 -15.086 1.00 1.00 C ATOM 6 CG MET A 1 65.479 -18.656 -15.284 1.00 1.00 C ATOM 7 SD MET A 1 65.382 -19.083 -17.040 1.00 1.00 S ATOM 8 CE MET A 1 66.120 -20.731 -16.914 1.00 1.00 C ATOM 0 H1 MET A 1 67.853 -17.267 -15.543 1.00 1.00 H new ATOM 0 H2 MET A 1 67.953 -15.590 -15.296 1.00 1.00 H new ATOM 0 H3 MET A 1 67.264 -16.584 -14.104 1.00 1.00 H new ATOM 0 HA MET A 1 66.103 -16.504 -16.820 1.00 1.00 H new ATOM 0 HB2 MET A 1 64.963 -16.978 -14.022 1.00 1.00 H new ATOM 0 HB3 MET A 1 64.041 -17.058 -15.511 1.00 1.00 H new ATOM 0 HG2 MET A 1 66.499 -18.787 -14.923 1.00 1.00 H new ATOM 0 HG3 MET A 1 64.846 -19.325 -14.701 1.00 1.00 H new ATOM 0 HE1 MET A 1 66.160 -21.188 -17.903 1.00 1.00 H new ATOM 0 HE2 MET A 1 67.130 -20.648 -16.512 1.00 1.00 H new ATOM 0 HE3 MET A 1 65.515 -21.351 -16.252 1.00 1.00 H new ATOM 17 N ASN A 2 64.725 -14.565 -14.631 1.00 1.00 N ATOM 18 CA ASN A 2 64.238 -13.173 -14.413 1.00 1.00 C ATOM 19 C ASN A 2 63.974 -12.955 -12.921 1.00 1.00 C ATOM 20 O ASN A 2 64.177 -13.836 -12.110 1.00 1.00 O ATOM 21 CB ASN A 2 62.941 -12.957 -15.199 1.00 1.00 C ATOM 22 CG ASN A 2 63.271 -12.715 -16.673 1.00 1.00 C ATOM 23 OD1 ASN A 2 63.852 -13.561 -17.324 1.00 1.00 O ATOM 24 ND2 ASN A 2 62.922 -11.588 -17.231 1.00 1.00 N ATOM 0 H ASN A 2 64.344 -15.263 -13.992 1.00 1.00 H new ATOM 0 HA ASN A 2 64.992 -12.465 -14.756 1.00 1.00 H new ATOM 0 HB2 ASN A 2 62.293 -13.828 -15.099 1.00 1.00 H new ATOM 0 HB3 ASN A 2 62.395 -12.105 -14.793 1.00 1.00 H new ATOM 0 HD21 ASN A 2 63.137 -11.417 -18.213 1.00 1.00 H new ATOM 0 HD22 ASN A 2 62.434 -10.878 -16.685 1.00 1.00 H new ATOM 31 N LEU A 3 63.525 -11.786 -12.555 1.00 1.00 N ATOM 32 CA LEU A 3 63.250 -11.508 -11.116 1.00 1.00 C ATOM 33 C LEU A 3 61.833 -11.977 -10.770 1.00 1.00 C ATOM 34 O LEU A 3 60.856 -11.375 -11.168 1.00 1.00 O ATOM 35 CB LEU A 3 63.375 -10.001 -10.861 1.00 1.00 C ATOM 36 CG LEU A 3 63.837 -9.762 -9.422 1.00 1.00 C ATOM 37 CD1 LEU A 3 63.926 -8.258 -9.157 1.00 1.00 C ATOM 38 CD2 LEU A 3 62.832 -10.391 -8.455 1.00 1.00 C ATOM 0 H LEU A 3 63.336 -11.011 -13.190 1.00 1.00 H new ATOM 0 HA LEU A 3 63.967 -12.042 -10.492 1.00 1.00 H new ATOM 0 HB2 LEU A 3 64.086 -9.561 -11.560 1.00 1.00 H new ATOM 0 HB3 LEU A 3 62.416 -9.512 -11.032 1.00 1.00 H new ATOM 0 HG LEU A 3 64.818 -10.215 -9.275 1.00 1.00 H new ATOM 0 HD11 LEU A 3 64.255 -8.088 -8.132 1.00 1.00 H new ATOM 0 HD12 LEU A 3 64.640 -7.809 -9.847 1.00 1.00 H new ATOM 0 HD13 LEU A 3 62.946 -7.804 -9.303 1.00 1.00 H new ATOM 0 HD21 LEU A 3 63.159 -10.222 -7.429 1.00 1.00 H new ATOM 0 HD22 LEU A 3 61.852 -9.937 -8.603 1.00 1.00 H new ATOM 0 HD23 LEU A 3 62.768 -11.463 -8.643 1.00 1.00 H new ATOM 50 N GLU A 4 61.714 -13.049 -10.032 1.00 1.00 N ATOM 51 CA GLU A 4 60.360 -13.556 -9.664 1.00 1.00 C ATOM 52 C GLU A 4 59.913 -12.914 -8.344 1.00 1.00 C ATOM 53 O GLU A 4 60.720 -12.665 -7.470 1.00 1.00 O ATOM 54 CB GLU A 4 60.416 -15.076 -9.496 1.00 1.00 C ATOM 55 CG GLU A 4 60.944 -15.714 -10.782 1.00 1.00 C ATOM 56 CD GLU A 4 59.891 -15.589 -11.885 1.00 1.00 C ATOM 57 OE1 GLU A 4 58.716 -15.675 -11.567 1.00 1.00 O ATOM 58 OE2 GLU A 4 60.277 -15.409 -13.028 1.00 1.00 O ATOM 0 H GLU A 4 62.495 -13.595 -9.669 1.00 1.00 H new ATOM 0 HA GLU A 4 59.650 -13.300 -10.451 1.00 1.00 H new ATOM 0 HB2 GLU A 4 61.062 -15.336 -8.657 1.00 1.00 H new ATOM 0 HB3 GLU A 4 59.423 -15.464 -9.266 1.00 1.00 H new ATOM 0 HG2 GLU A 4 61.868 -15.225 -11.090 1.00 1.00 H new ATOM 0 HG3 GLU A 4 61.181 -16.764 -10.609 1.00 1.00 H new ATOM 65 N PRO A 5 58.637 -12.653 -8.196 1.00 1.00 N ATOM 66 CA PRO A 5 58.075 -12.036 -6.962 1.00 1.00 C ATOM 67 C PRO A 5 58.751 -12.557 -5.685 1.00 1.00 C ATOM 68 O PRO A 5 58.446 -13.635 -5.215 1.00 1.00 O ATOM 69 CB PRO A 5 56.608 -12.462 -7.001 1.00 1.00 C ATOM 70 CG PRO A 5 56.279 -12.589 -8.453 1.00 1.00 C ATOM 71 CD PRO A 5 57.584 -12.922 -9.188 1.00 1.00 C ATOM 0 HA PRO A 5 58.224 -10.957 -6.939 1.00 1.00 H new ATOM 0 HB2 PRO A 5 56.458 -13.407 -6.478 1.00 1.00 H new ATOM 0 HB3 PRO A 5 55.970 -11.724 -6.515 1.00 1.00 H new ATOM 0 HG2 PRO A 5 55.538 -13.372 -8.612 1.00 1.00 H new ATOM 0 HG3 PRO A 5 55.850 -11.662 -8.833 1.00 1.00 H new ATOM 0 HD2 PRO A 5 57.602 -13.961 -9.516 1.00 1.00 H new ATOM 0 HD3 PRO A 5 57.708 -12.305 -10.078 1.00 1.00 H new ATOM 79 N PRO A 6 59.664 -11.800 -5.127 1.00 1.00 N ATOM 80 CA PRO A 6 60.389 -12.195 -3.890 1.00 1.00 C ATOM 81 C PRO A 6 59.634 -11.792 -2.618 1.00 1.00 C ATOM 82 O PRO A 6 58.989 -10.764 -2.568 1.00 1.00 O ATOM 83 CB PRO A 6 61.696 -11.415 -4.006 1.00 1.00 C ATOM 84 CG PRO A 6 61.326 -10.159 -4.728 1.00 1.00 C ATOM 85 CD PRO A 6 60.115 -10.486 -5.612 1.00 1.00 C ATOM 0 HA PRO A 6 60.517 -13.274 -3.809 1.00 1.00 H new ATOM 0 HB2 PRO A 6 62.116 -11.198 -3.024 1.00 1.00 H new ATOM 0 HB3 PRO A 6 62.448 -11.981 -4.556 1.00 1.00 H new ATOM 0 HG2 PRO A 6 61.084 -9.366 -4.021 1.00 1.00 H new ATOM 0 HG3 PRO A 6 62.160 -9.803 -5.333 1.00 1.00 H new ATOM 0 HD2 PRO A 6 59.333 -9.734 -5.511 1.00 1.00 H new ATOM 0 HD3 PRO A 6 60.389 -10.522 -6.666 1.00 1.00 H new ATOM 93 N LYS A 7 59.714 -12.592 -1.588 1.00 1.00 N ATOM 94 CA LYS A 7 59.006 -12.249 -0.321 1.00 1.00 C ATOM 95 C LYS A 7 59.920 -11.382 0.548 1.00 1.00 C ATOM 96 O LYS A 7 60.943 -10.903 0.102 1.00 1.00 O ATOM 97 CB LYS A 7 58.653 -13.533 0.434 1.00 1.00 C ATOM 98 CG LYS A 7 59.891 -14.427 0.534 1.00 1.00 C ATOM 99 CD LYS A 7 59.752 -15.359 1.739 1.00 1.00 C ATOM 100 CE LYS A 7 58.461 -16.170 1.611 1.00 1.00 C ATOM 101 NZ LYS A 7 58.426 -17.219 2.669 1.00 1.00 N ATOM 0 H LYS A 7 60.238 -13.467 -1.570 1.00 1.00 H new ATOM 0 HA LYS A 7 58.091 -11.703 -0.551 1.00 1.00 H new ATOM 0 HB2 LYS A 7 58.285 -13.291 1.431 1.00 1.00 H new ATOM 0 HB3 LYS A 7 57.851 -14.061 -0.082 1.00 1.00 H new ATOM 0 HG2 LYS A 7 60.006 -15.011 -0.379 1.00 1.00 H new ATOM 0 HG3 LYS A 7 60.787 -13.815 0.636 1.00 1.00 H new ATOM 0 HD2 LYS A 7 60.610 -16.028 1.795 1.00 1.00 H new ATOM 0 HD3 LYS A 7 59.739 -14.779 2.662 1.00 1.00 H new ATOM 0 HE2 LYS A 7 57.596 -15.514 1.706 1.00 1.00 H new ATOM 0 HE3 LYS A 7 58.405 -16.631 0.625 1.00 1.00 H new ATOM 0 HZ1 LYS A 7 57.549 -17.770 2.582 1.00 1.00 H new ATOM 0 HZ2 LYS A 7 59.244 -17.851 2.558 1.00 1.00 H new ATOM 0 HZ3 LYS A 7 58.461 -16.769 3.606 1.00 1.00 H new ATOM 115 N ALA A 8 59.562 -11.178 1.787 1.00 1.00 N ATOM 116 CA ALA A 8 60.416 -10.343 2.679 1.00 1.00 C ATOM 117 C ALA A 8 59.815 -10.313 4.086 1.00 1.00 C ATOM 118 O ALA A 8 60.433 -9.853 5.025 1.00 1.00 O ATOM 119 CB ALA A 8 60.490 -8.917 2.129 1.00 1.00 C ATOM 0 H ALA A 8 58.717 -11.552 2.219 1.00 1.00 H new ATOM 0 HA ALA A 8 61.418 -10.770 2.721 1.00 1.00 H new ATOM 0 HB1 ALA A 8 61.115 -8.307 2.782 1.00 1.00 H new ATOM 0 HB2 ALA A 8 60.921 -8.935 1.128 1.00 1.00 H new ATOM 0 HB3 ALA A 8 59.487 -8.492 2.085 1.00 1.00 H new ATOM 125 N GLU A 9 58.613 -10.797 4.241 1.00 1.00 N ATOM 126 CA GLU A 9 57.978 -10.790 5.588 1.00 1.00 C ATOM 127 C GLU A 9 58.105 -9.393 6.199 1.00 1.00 C ATOM 128 O GLU A 9 58.996 -9.125 6.980 1.00 1.00 O ATOM 129 CB GLU A 9 58.679 -11.808 6.490 1.00 1.00 C ATOM 130 CG GLU A 9 57.886 -11.971 7.788 1.00 1.00 C ATOM 131 CD GLU A 9 56.563 -12.679 7.493 1.00 1.00 C ATOM 132 OE1 GLU A 9 56.605 -13.769 6.946 1.00 1.00 O ATOM 133 OE2 GLU A 9 55.529 -12.120 7.820 1.00 1.00 O ATOM 0 H GLU A 9 58.045 -11.196 3.494 1.00 1.00 H new ATOM 0 HA GLU A 9 56.925 -11.055 5.496 1.00 1.00 H new ATOM 0 HB2 GLU A 9 58.761 -12.767 5.979 1.00 1.00 H new ATOM 0 HB3 GLU A 9 59.694 -11.476 6.710 1.00 1.00 H new ATOM 0 HG2 GLU A 9 58.465 -12.546 8.510 1.00 1.00 H new ATOM 0 HG3 GLU A 9 57.697 -10.995 8.236 1.00 1.00 H new ATOM 140 N CYS A 10 57.221 -8.501 5.846 1.00 1.00 N ATOM 141 CA CYS A 10 57.291 -7.121 6.402 1.00 1.00 C ATOM 142 C CYS A 10 57.417 -7.190 7.926 1.00 1.00 C ATOM 143 O CYS A 10 57.418 -8.255 8.510 1.00 1.00 O ATOM 144 CB CYS A 10 56.021 -6.355 6.022 1.00 1.00 C ATOM 145 SG CYS A 10 54.664 -6.851 7.113 1.00 1.00 S ATOM 0 HA CYS A 10 58.160 -6.605 5.993 1.00 1.00 H new ATOM 0 HB2 CYS A 10 56.193 -5.282 6.104 1.00 1.00 H new ATOM 0 HB3 CYS A 10 55.759 -6.558 4.984 1.00 1.00 H new ATOM 150 N ARG A 11 57.528 -6.060 8.576 1.00 1.00 N ATOM 151 CA ARG A 11 57.659 -6.058 10.063 1.00 1.00 C ATOM 152 C ARG A 11 56.772 -4.960 10.654 1.00 1.00 C ATOM 153 O ARG A 11 56.107 -5.156 11.651 1.00 1.00 O ATOM 154 CB ARG A 11 59.119 -5.793 10.444 1.00 1.00 C ATOM 155 CG ARG A 11 59.348 -6.190 11.904 1.00 1.00 C ATOM 156 CD ARG A 11 60.644 -5.554 12.409 1.00 1.00 C ATOM 157 NE ARG A 11 61.640 -5.510 11.302 1.00 1.00 N ATOM 158 CZ ARG A 11 62.897 -5.275 11.565 1.00 1.00 C ATOM 159 NH1 ARG A 11 63.281 -5.078 12.796 1.00 1.00 N ATOM 160 NH2 ARG A 11 63.770 -5.237 10.595 1.00 1.00 N ATOM 0 H ARG A 11 57.534 -5.138 8.140 1.00 1.00 H new ATOM 0 HA ARG A 11 57.348 -7.026 10.456 1.00 1.00 H new ATOM 0 HB2 ARG A 11 59.784 -6.361 9.793 1.00 1.00 H new ATOM 0 HB3 ARG A 11 59.357 -4.739 10.301 1.00 1.00 H new ATOM 0 HG2 ARG A 11 58.508 -5.864 12.517 1.00 1.00 H new ATOM 0 HG3 ARG A 11 59.404 -7.275 11.992 1.00 1.00 H new ATOM 0 HD2 ARG A 11 60.448 -4.547 12.776 1.00 1.00 H new ATOM 0 HD3 ARG A 11 61.041 -6.127 13.247 1.00 1.00 H new ATOM 0 HE ARG A 11 61.340 -5.663 10.339 1.00 1.00 H new ATOM 0 HH11 ARG A 11 62.599 -5.108 13.554 1.00 1.00 H new ATOM 0 HH12 ARG A 11 64.263 -4.894 13.001 1.00 1.00 H new ATOM 0 HH21 ARG A 11 63.470 -5.391 9.632 1.00 1.00 H new ATOM 0 HH22 ARG A 11 64.752 -5.053 10.800 1.00 1.00 H new ATOM 174 N SER A 12 56.757 -3.804 10.047 1.00 1.00 N ATOM 175 CA SER A 12 55.913 -2.694 10.576 1.00 1.00 C ATOM 176 C SER A 12 55.476 -1.791 9.422 1.00 1.00 C ATOM 177 O SER A 12 54.302 -1.656 9.137 1.00 1.00 O ATOM 178 CB SER A 12 56.720 -1.877 11.585 1.00 1.00 C ATOM 179 OG SER A 12 57.990 -1.566 11.028 1.00 1.00 O ATOM 0 H SER A 12 57.292 -3.580 9.208 1.00 1.00 H new ATOM 0 HA SER A 12 55.032 -3.109 11.066 1.00 1.00 H new ATOM 0 HB2 SER A 12 56.187 -0.961 11.838 1.00 1.00 H new ATOM 0 HB3 SER A 12 56.844 -2.440 12.510 1.00 1.00 H new ATOM 0 HG SER A 12 58.510 -1.041 11.672 1.00 1.00 H new ATOM 185 N ALA A 13 56.410 -1.171 8.754 1.00 1.00 N ATOM 186 CA ALA A 13 56.046 -0.278 7.618 1.00 1.00 C ATOM 187 C ALA A 13 55.074 0.798 8.106 1.00 1.00 C ATOM 188 O ALA A 13 53.912 0.536 8.346 1.00 1.00 O ATOM 189 CB ALA A 13 55.381 -1.101 6.514 1.00 1.00 C ATOM 0 H ALA A 13 57.409 -1.244 8.946 1.00 1.00 H new ATOM 0 HA ALA A 13 56.946 0.195 7.226 1.00 1.00 H new ATOM 0 HB1 ALA A 13 55.115 -0.448 5.683 1.00 1.00 H new ATOM 0 HB2 ALA A 13 56.073 -1.868 6.165 1.00 1.00 H new ATOM 0 HB3 ALA A 13 54.481 -1.575 6.906 1.00 1.00 H new ATOM 195 N THR A 14 55.539 2.008 8.253 1.00 1.00 N ATOM 196 CA THR A 14 54.642 3.100 8.724 1.00 1.00 C ATOM 197 C THR A 14 55.245 4.451 8.340 1.00 1.00 C ATOM 198 O THR A 14 54.544 5.381 7.994 1.00 1.00 O ATOM 199 CB THR A 14 54.493 3.018 10.245 1.00 1.00 C ATOM 200 OG1 THR A 14 54.252 1.670 10.623 1.00 1.00 O ATOM 201 CG2 THR A 14 53.321 3.893 10.693 1.00 1.00 C ATOM 0 H THR A 14 56.502 2.288 8.067 1.00 1.00 H new ATOM 0 HA THR A 14 53.662 2.994 8.259 1.00 1.00 H new ATOM 0 HB THR A 14 55.408 3.371 10.720 1.00 1.00 H new ATOM 0 HG1 THR A 14 53.771 1.210 9.904 1.00 1.00 H new ATOM 0 HG21 THR A 14 53.216 3.834 11.776 1.00 1.00 H new ATOM 0 HG22 THR A 14 53.507 4.927 10.403 1.00 1.00 H new ATOM 0 HG23 THR A 14 52.404 3.543 10.220 1.00 1.00 H new ATOM 209 N ARG A 15 56.544 4.567 8.398 1.00 1.00 N ATOM 210 CA ARG A 15 57.196 5.856 8.035 1.00 1.00 C ATOM 211 C ARG A 15 58.715 5.682 8.065 1.00 1.00 C ATOM 212 O ARG A 15 59.267 5.115 8.987 1.00 1.00 O ATOM 213 CB ARG A 15 56.784 6.939 9.036 1.00 1.00 C ATOM 214 CG ARG A 15 56.965 6.415 10.462 1.00 1.00 C ATOM 215 CD ARG A 15 56.492 7.473 11.460 1.00 1.00 C ATOM 216 NE ARG A 15 56.617 6.941 12.846 1.00 1.00 N ATOM 217 CZ ARG A 15 56.197 7.650 13.857 1.00 1.00 C ATOM 218 NH1 ARG A 15 55.668 8.826 13.655 1.00 1.00 N ATOM 219 NH2 ARG A 15 56.307 7.184 15.071 1.00 1.00 N ATOM 0 H ARG A 15 57.182 3.823 8.682 1.00 1.00 H new ATOM 0 HA ARG A 15 56.883 6.153 7.034 1.00 1.00 H new ATOM 0 HB2 ARG A 15 57.388 7.834 8.887 1.00 1.00 H new ATOM 0 HB3 ARG A 15 55.745 7.224 8.872 1.00 1.00 H new ATOM 0 HG2 ARG A 15 56.398 5.494 10.597 1.00 1.00 H new ATOM 0 HG3 ARG A 15 58.013 6.173 10.641 1.00 1.00 H new ATOM 0 HD2 ARG A 15 57.086 8.381 11.353 1.00 1.00 H new ATOM 0 HD3 ARG A 15 55.456 7.744 11.255 1.00 1.00 H new ATOM 0 HE ARG A 15 57.031 6.022 13.004 1.00 1.00 H new ATOM 0 HH11 ARG A 15 55.583 9.191 12.706 1.00 1.00 H new ATOM 0 HH12 ARG A 15 55.340 9.380 14.446 1.00 1.00 H new ATOM 0 HH21 ARG A 15 56.721 6.265 15.229 1.00 1.00 H new ATOM 0 HH22 ARG A 15 55.979 7.738 15.862 1.00 1.00 H new ATOM 233 N VAL A 16 59.396 6.161 7.061 1.00 1.00 N ATOM 234 CA VAL A 16 60.879 6.021 7.031 1.00 1.00 C ATOM 235 C VAL A 16 61.485 6.762 8.226 1.00 1.00 C ATOM 236 O VAL A 16 61.133 6.517 9.363 1.00 1.00 O ATOM 237 CB VAL A 16 61.419 6.613 5.727 1.00 1.00 C ATOM 238 CG1 VAL A 16 62.846 6.113 5.491 1.00 1.00 C ATOM 239 CG2 VAL A 16 60.528 6.176 4.563 1.00 1.00 C ATOM 0 H VAL A 16 58.989 6.644 6.260 1.00 1.00 H new ATOM 0 HA VAL A 16 61.149 4.966 7.087 1.00 1.00 H new ATOM 0 HB VAL A 16 61.422 7.701 5.796 1.00 1.00 H new ATOM 0 HG11 VAL A 16 63.230 6.535 4.562 1.00 1.00 H new ATOM 0 HG12 VAL A 16 63.482 6.422 6.321 1.00 1.00 H new ATOM 0 HG13 VAL A 16 62.844 5.025 5.422 1.00 1.00 H new ATOM 0 HG21 VAL A 16 60.911 6.597 3.633 1.00 1.00 H new ATOM 0 HG22 VAL A 16 60.526 5.088 4.495 1.00 1.00 H new ATOM 0 HG23 VAL A 16 59.511 6.531 4.730 1.00 1.00 H new ATOM 249 N MET A 17 62.394 7.667 7.980 1.00 1.00 N ATOM 250 CA MET A 17 63.021 8.423 9.102 1.00 1.00 C ATOM 251 C MET A 17 63.312 9.855 8.648 1.00 1.00 C ATOM 252 O MET A 17 62.927 10.810 9.293 1.00 1.00 O ATOM 253 CB MET A 17 64.330 7.740 9.508 1.00 1.00 C ATOM 254 CG MET A 17 64.787 8.277 10.866 1.00 1.00 C ATOM 255 SD MET A 17 66.271 7.388 11.398 1.00 1.00 S ATOM 256 CE MET A 17 65.962 7.477 13.179 1.00 1.00 C ATOM 0 H MET A 17 62.730 7.915 7.049 1.00 1.00 H new ATOM 0 HA MET A 17 62.342 8.442 9.954 1.00 1.00 H new ATOM 0 HB2 MET A 17 64.188 6.661 9.561 1.00 1.00 H new ATOM 0 HB3 MET A 17 65.097 7.924 8.756 1.00 1.00 H new ATOM 0 HG2 MET A 17 64.995 9.345 10.795 1.00 1.00 H new ATOM 0 HG3 MET A 17 63.993 8.155 11.603 1.00 1.00 H new ATOM 0 HE1 MET A 17 66.771 6.980 13.714 1.00 1.00 H new ATOM 0 HE2 MET A 17 65.911 8.521 13.488 1.00 1.00 H new ATOM 0 HE3 MET A 17 65.018 6.984 13.410 1.00 1.00 H new ATOM 266 N GLY A 18 63.987 10.011 7.542 1.00 1.00 N ATOM 267 CA GLY A 18 64.301 11.381 7.044 1.00 1.00 C ATOM 268 C GLY A 18 63.180 11.857 6.119 1.00 1.00 C ATOM 269 O GLY A 18 63.376 12.040 4.934 1.00 1.00 O ATOM 0 H GLY A 18 64.335 9.248 6.961 1.00 1.00 H new ATOM 0 HA2 GLY A 18 64.411 12.068 7.883 1.00 1.00 H new ATOM 0 HA3 GLY A 18 65.251 11.376 6.509 1.00 1.00 H new ATOM 273 N GLY A 19 62.004 12.059 6.650 1.00 1.00 N ATOM 274 CA GLY A 19 60.871 12.523 5.799 1.00 1.00 C ATOM 275 C GLY A 19 61.332 13.691 4.925 1.00 1.00 C ATOM 276 O GLY A 19 61.289 13.622 3.712 1.00 1.00 O ATOM 0 H GLY A 19 61.779 11.923 7.636 1.00 1.00 H new ATOM 0 HA2 GLY A 19 60.514 11.705 5.173 1.00 1.00 H new ATOM 0 HA3 GLY A 19 60.035 12.832 6.426 1.00 1.00 H new ATOM 280 N PRO A 20 61.769 14.757 5.540 1.00 1.00 N ATOM 281 CA PRO A 20 62.250 15.968 4.813 1.00 1.00 C ATOM 282 C PRO A 20 63.237 15.617 3.695 1.00 1.00 C ATOM 283 O PRO A 20 63.540 16.429 2.843 1.00 1.00 O ATOM 284 CB PRO A 20 62.940 16.795 5.902 1.00 1.00 C ATOM 285 CG PRO A 20 62.286 16.383 7.179 1.00 1.00 C ATOM 286 CD PRO A 20 61.851 14.927 7.000 1.00 1.00 C ATOM 0 HA PRO A 20 61.435 16.496 4.319 1.00 1.00 H new ATOM 0 HB2 PRO A 20 64.012 16.598 5.927 1.00 1.00 H new ATOM 0 HB3 PRO A 20 62.817 17.863 5.723 1.00 1.00 H new ATOM 0 HG2 PRO A 20 62.977 16.480 8.017 1.00 1.00 H new ATOM 0 HG3 PRO A 20 61.428 17.019 7.397 1.00 1.00 H new ATOM 0 HD2 PRO A 20 62.571 14.238 7.442 1.00 1.00 H new ATOM 0 HD3 PRO A 20 60.891 14.736 7.479 1.00 1.00 H new ATOM 294 N CYS A 21 63.740 14.409 3.695 1.00 1.00 N ATOM 295 CA CYS A 21 64.708 13.993 2.639 1.00 1.00 C ATOM 296 C CYS A 21 64.184 12.741 1.933 1.00 1.00 C ATOM 297 O CYS A 21 64.077 11.683 2.522 1.00 1.00 O ATOM 298 CB CYS A 21 66.064 13.688 3.282 1.00 1.00 C ATOM 299 SG CYS A 21 67.050 15.204 3.356 1.00 1.00 S ATOM 0 H CYS A 21 63.520 13.691 4.385 1.00 1.00 H new ATOM 0 HA CYS A 21 64.823 14.798 1.913 1.00 1.00 H new ATOM 0 HB2 CYS A 21 65.921 13.285 4.285 1.00 1.00 H new ATOM 0 HB3 CYS A 21 66.590 12.927 2.705 1.00 1.00 H new ATOM 304 N THR A 22 63.856 12.850 0.673 1.00 1.00 N ATOM 305 CA THR A 22 63.340 11.665 -0.071 1.00 1.00 C ATOM 306 C THR A 22 64.507 10.958 -0.770 1.00 1.00 C ATOM 307 O THR A 22 65.490 11.578 -1.124 1.00 1.00 O ATOM 308 CB THR A 22 62.322 12.127 -1.119 1.00 1.00 C ATOM 309 OG1 THR A 22 62.320 11.215 -2.208 1.00 1.00 O ATOM 310 CG2 THR A 22 62.699 13.522 -1.620 1.00 1.00 C ATOM 0 H THR A 22 63.923 13.709 0.127 1.00 1.00 H new ATOM 0 HA THR A 22 62.860 10.976 0.624 1.00 1.00 H new ATOM 0 HB THR A 22 61.329 12.161 -0.671 1.00 1.00 H new ATOM 0 HG1 THR A 22 61.668 11.508 -2.879 1.00 1.00 H new ATOM 0 HG21 THR A 22 61.974 13.849 -2.365 1.00 1.00 H new ATOM 0 HG22 THR A 22 62.700 14.221 -0.784 1.00 1.00 H new ATOM 0 HG23 THR A 22 63.692 13.491 -2.069 1.00 1.00 H new ATOM 318 N PRO A 23 64.400 9.668 -0.971 1.00 1.00 N ATOM 319 CA PRO A 23 65.467 8.869 -1.644 1.00 1.00 C ATOM 320 C PRO A 23 65.548 9.164 -3.146 1.00 1.00 C ATOM 321 O PRO A 23 64.552 9.172 -3.841 1.00 1.00 O ATOM 322 CB PRO A 23 65.040 7.418 -1.402 1.00 1.00 C ATOM 323 CG PRO A 23 63.560 7.474 -1.220 1.00 1.00 C ATOM 324 CD PRO A 23 63.252 8.832 -0.584 1.00 1.00 C ATOM 0 HA PRO A 23 66.458 9.100 -1.253 1.00 1.00 H new ATOM 0 HB2 PRO A 23 65.310 6.782 -2.245 1.00 1.00 H new ATOM 0 HB3 PRO A 23 65.530 7.004 -0.521 1.00 1.00 H new ATOM 0 HG2 PRO A 23 63.047 7.368 -2.176 1.00 1.00 H new ATOM 0 HG3 PRO A 23 63.216 6.660 -0.582 1.00 1.00 H new ATOM 0 HD2 PRO A 23 62.314 9.244 -0.955 1.00 1.00 H new ATOM 0 HD3 PRO A 23 63.160 8.755 0.499 1.00 1.00 H new ATOM 332 N ARG A 24 66.727 9.404 -3.651 1.00 1.00 N ATOM 333 CA ARG A 24 66.869 9.695 -5.105 1.00 1.00 C ATOM 334 C ARG A 24 68.355 9.722 -5.477 1.00 1.00 C ATOM 335 O ARG A 24 69.164 9.037 -4.884 1.00 1.00 O ATOM 336 CB ARG A 24 66.229 11.050 -5.419 1.00 1.00 C ATOM 337 CG ARG A 24 66.800 12.116 -4.482 1.00 1.00 C ATOM 338 CD ARG A 24 66.396 13.505 -4.981 1.00 1.00 C ATOM 339 NE ARG A 24 66.523 14.488 -3.869 1.00 1.00 N ATOM 340 CZ ARG A 24 66.207 15.739 -4.065 1.00 1.00 C ATOM 341 NH1 ARG A 24 65.780 16.129 -5.235 1.00 1.00 N ATOM 342 NH2 ARG A 24 66.319 16.601 -3.092 1.00 1.00 N ATOM 0 H ARG A 24 67.598 9.411 -3.120 1.00 1.00 H new ATOM 0 HA ARG A 24 66.368 8.919 -5.684 1.00 1.00 H new ATOM 0 HB2 ARG A 24 66.421 11.323 -6.457 1.00 1.00 H new ATOM 0 HB3 ARG A 24 65.147 10.989 -5.301 1.00 1.00 H new ATOM 0 HG2 ARG A 24 66.430 11.960 -3.469 1.00 1.00 H new ATOM 0 HG3 ARG A 24 67.886 12.035 -4.441 1.00 1.00 H new ATOM 0 HD2 ARG A 24 67.030 13.801 -5.817 1.00 1.00 H new ATOM 0 HD3 ARG A 24 65.370 13.487 -5.349 1.00 1.00 H new ATOM 0 HE ARG A 24 66.857 14.183 -2.955 1.00 1.00 H new ATOM 0 HH11 ARG A 24 65.693 15.456 -5.997 1.00 1.00 H new ATOM 0 HH12 ARG A 24 65.533 17.107 -5.388 1.00 1.00 H new ATOM 0 HH21 ARG A 24 66.654 16.297 -2.178 1.00 1.00 H new ATOM 0 HH22 ARG A 24 66.072 17.579 -3.246 1.00 1.00 H new ATOM 356 N LYS A 25 68.722 10.506 -6.455 1.00 1.00 N ATOM 357 CA LYS A 25 70.155 10.570 -6.861 1.00 1.00 C ATOM 358 C LYS A 25 70.901 11.552 -5.953 1.00 1.00 C ATOM 359 O LYS A 25 71.079 11.309 -4.776 1.00 1.00 O ATOM 360 CB LYS A 25 70.256 11.036 -8.318 1.00 1.00 C ATOM 361 CG LYS A 25 69.258 12.169 -8.567 1.00 1.00 C ATOM 362 CD LYS A 25 68.001 11.605 -9.233 1.00 1.00 C ATOM 363 CE LYS A 25 66.994 12.734 -9.461 1.00 1.00 C ATOM 364 NZ LYS A 25 66.605 13.325 -8.150 1.00 1.00 N ATOM 0 H LYS A 25 68.092 11.104 -6.990 1.00 1.00 H new ATOM 0 HA LYS A 25 70.603 9.581 -6.768 1.00 1.00 H new ATOM 0 HB2 LYS A 25 71.269 11.377 -8.531 1.00 1.00 H new ATOM 0 HB3 LYS A 25 70.051 10.204 -8.991 1.00 1.00 H new ATOM 0 HG2 LYS A 25 68.998 12.652 -7.625 1.00 1.00 H new ATOM 0 HG3 LYS A 25 69.708 12.931 -9.203 1.00 1.00 H new ATOM 0 HD2 LYS A 25 68.259 11.136 -10.183 1.00 1.00 H new ATOM 0 HD3 LYS A 25 67.560 10.831 -8.605 1.00 1.00 H new ATOM 0 HE2 LYS A 25 67.430 13.500 -10.102 1.00 1.00 H new ATOM 0 HE3 LYS A 25 66.113 12.351 -9.975 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 65.588 13.176 -7.990 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 67.146 12.868 -7.389 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 66.809 14.345 -8.155 1.00 1.00 H new ATOM 378 N GLY A 26 71.342 12.657 -6.491 1.00 1.00 N ATOM 379 CA GLY A 26 72.079 13.652 -5.659 1.00 1.00 C ATOM 380 C GLY A 26 73.132 12.930 -4.814 1.00 1.00 C ATOM 381 O GLY A 26 72.987 12.784 -3.617 1.00 1.00 O ATOM 0 H GLY A 26 71.224 12.914 -7.471 1.00 1.00 H new ATOM 0 HA2 GLY A 26 72.557 14.394 -6.299 1.00 1.00 H new ATOM 0 HA3 GLY A 26 71.384 14.188 -5.013 1.00 1.00 H new ATOM 385 N PRO A 27 74.181 12.478 -5.444 1.00 1.00 N ATOM 386 CA PRO A 27 75.288 11.748 -4.764 1.00 1.00 C ATOM 387 C PRO A 27 76.162 12.682 -3.912 1.00 1.00 C ATOM 388 O PRO A 27 76.233 13.869 -4.160 1.00 1.00 O ATOM 389 CB PRO A 27 76.111 11.145 -5.921 1.00 1.00 C ATOM 390 CG PRO A 27 75.346 11.419 -7.176 1.00 1.00 C ATOM 391 CD PRO A 27 74.429 12.604 -6.884 1.00 1.00 C ATOM 0 HA PRO A 27 74.906 10.998 -4.072 1.00 1.00 H new ATOM 0 HB2 PRO A 27 77.103 11.594 -5.966 1.00 1.00 H new ATOM 0 HB3 PRO A 27 76.252 10.074 -5.779 1.00 1.00 H new ATOM 0 HG2 PRO A 27 76.023 11.648 -7.999 1.00 1.00 H new ATOM 0 HG3 PRO A 27 74.766 10.545 -7.474 1.00 1.00 H new ATOM 0 HD2 PRO A 27 74.904 13.553 -7.131 1.00 1.00 H new ATOM 0 HD3 PRO A 27 73.505 12.551 -7.459 1.00 1.00 H new ATOM 399 N PRO A 28 76.829 12.145 -2.921 1.00 1.00 N ATOM 400 CA PRO A 28 77.718 12.937 -2.025 1.00 1.00 C ATOM 401 C PRO A 28 78.548 13.971 -2.795 1.00 1.00 C ATOM 402 O PRO A 28 78.654 13.919 -4.004 1.00 1.00 O ATOM 403 CB PRO A 28 78.623 11.874 -1.402 1.00 1.00 C ATOM 404 CG PRO A 28 77.798 10.629 -1.376 1.00 1.00 C ATOM 405 CD PRO A 28 76.811 10.722 -2.546 1.00 1.00 C ATOM 0 HA PRO A 28 77.154 13.517 -1.294 1.00 1.00 H new ATOM 0 HB2 PRO A 28 79.530 11.734 -1.990 1.00 1.00 H new ATOM 0 HB3 PRO A 28 78.935 12.161 -0.398 1.00 1.00 H new ATOM 0 HG2 PRO A 28 78.429 9.746 -1.473 1.00 1.00 H new ATOM 0 HG3 PRO A 28 77.266 10.538 -0.429 1.00 1.00 H new ATOM 0 HD2 PRO A 28 77.118 10.087 -3.377 1.00 1.00 H new ATOM 0 HD3 PRO A 28 75.812 10.400 -2.251 1.00 1.00 H new ATOM 413 N LYS A 29 79.134 14.912 -2.100 1.00 1.00 N ATOM 414 CA LYS A 29 79.956 15.956 -2.785 1.00 1.00 C ATOM 415 C LYS A 29 81.438 15.736 -2.465 1.00 1.00 C ATOM 416 O LYS A 29 82.305 16.377 -3.026 1.00 1.00 O ATOM 417 CB LYS A 29 79.528 17.339 -2.289 1.00 1.00 C ATOM 418 CG LYS A 29 80.066 18.411 -3.239 1.00 1.00 C ATOM 419 CD LYS A 29 79.516 19.779 -2.828 1.00 1.00 C ATOM 420 CE LYS A 29 79.833 20.805 -3.918 1.00 1.00 C ATOM 421 NZ LYS A 29 81.302 20.830 -4.165 1.00 1.00 N ATOM 0 H LYS A 29 79.079 15.003 -1.086 1.00 1.00 H new ATOM 0 HA LYS A 29 79.806 15.889 -3.863 1.00 1.00 H new ATOM 0 HB2 LYS A 29 78.441 17.398 -2.236 1.00 1.00 H new ATOM 0 HB3 LYS A 29 79.906 17.509 -1.281 1.00 1.00 H new ATOM 0 HG2 LYS A 29 81.156 18.422 -3.212 1.00 1.00 H new ATOM 0 HG3 LYS A 29 79.775 18.183 -4.264 1.00 1.00 H new ATOM 0 HD2 LYS A 29 78.439 19.718 -2.673 1.00 1.00 H new ATOM 0 HD3 LYS A 29 79.957 20.091 -1.881 1.00 1.00 H new ATOM 0 HE2 LYS A 29 79.303 20.551 -4.836 1.00 1.00 H new ATOM 0 HE3 LYS A 29 79.488 21.793 -3.614 1.00 1.00 H new ATOM 0 HZ1 LYS A 29 81.553 21.700 -4.676 1.00 1.00 H new ATOM 0 HZ2 LYS A 29 81.807 20.804 -3.256 1.00 1.00 H new ATOM 0 HZ3 LYS A 29 81.572 20.003 -4.735 1.00 1.00 H new ATOM 435 N CYS A 30 81.736 14.837 -1.567 1.00 1.00 N ATOM 436 CA CYS A 30 83.161 14.579 -1.211 1.00 1.00 C ATOM 437 C CYS A 30 83.988 14.436 -2.493 1.00 1.00 C ATOM 438 O CYS A 30 85.179 14.677 -2.504 1.00 1.00 O ATOM 439 CB CYS A 30 83.250 13.292 -0.377 1.00 1.00 C ATOM 440 SG CYS A 30 84.398 12.135 -1.164 1.00 1.00 S ATOM 0 H CYS A 30 81.054 14.269 -1.064 1.00 1.00 H new ATOM 0 HA CYS A 30 83.554 15.411 -0.627 1.00 1.00 H new ATOM 0 HB2 CYS A 30 83.588 13.524 0.633 1.00 1.00 H new ATOM 0 HB3 CYS A 30 82.264 12.836 -0.287 1.00 1.00 H new ATOM 445 N LYS A 31 83.365 14.054 -3.574 1.00 1.00 N ATOM 446 CA LYS A 31 84.116 13.906 -4.855 1.00 1.00 C ATOM 447 C LYS A 31 85.362 13.046 -4.629 1.00 1.00 C ATOM 448 O LYS A 31 86.387 13.257 -5.246 1.00 1.00 O ATOM 449 CB LYS A 31 84.539 15.291 -5.357 1.00 1.00 C ATOM 450 CG LYS A 31 83.333 16.006 -5.968 1.00 1.00 C ATOM 451 CD LYS A 31 83.202 15.619 -7.443 1.00 1.00 C ATOM 452 CE LYS A 31 84.060 16.556 -8.295 1.00 1.00 C ATOM 453 NZ LYS A 31 83.886 16.215 -9.736 1.00 1.00 N ATOM 0 H LYS A 31 82.370 13.838 -3.627 1.00 1.00 H new ATOM 0 HA LYS A 31 83.476 13.425 -5.595 1.00 1.00 H new ATOM 0 HB2 LYS A 31 84.944 15.879 -4.534 1.00 1.00 H new ATOM 0 HB3 LYS A 31 85.331 15.194 -6.099 1.00 1.00 H new ATOM 0 HG2 LYS A 31 82.425 15.736 -5.428 1.00 1.00 H new ATOM 0 HG3 LYS A 31 83.451 17.085 -5.874 1.00 1.00 H new ATOM 0 HD2 LYS A 31 83.519 14.586 -7.588 1.00 1.00 H new ATOM 0 HD3 LYS A 31 82.159 15.680 -7.755 1.00 1.00 H new ATOM 0 HE2 LYS A 31 83.772 17.592 -8.118 1.00 1.00 H new ATOM 0 HE3 LYS A 31 85.109 16.464 -8.012 1.00 1.00 H new ATOM 0 HZ1 LYS A 31 84.469 16.851 -10.316 1.00 1.00 H new ATOM 0 HZ2 LYS A 31 84.181 15.231 -9.898 1.00 1.00 H new ATOM 0 HZ3 LYS A 31 82.886 16.324 -10.000 1.00 1.00 H new ATOM 467 N GLN A 32 85.278 12.078 -3.751 1.00 1.00 N ATOM 468 CA GLN A 32 86.450 11.188 -3.471 1.00 1.00 C ATOM 469 C GLN A 32 87.763 11.949 -3.698 1.00 1.00 C ATOM 470 O GLN A 32 88.002 12.982 -3.105 1.00 1.00 O ATOM 471 CB GLN A 32 86.396 9.964 -4.392 1.00 1.00 C ATOM 472 CG GLN A 32 86.131 10.415 -5.830 1.00 1.00 C ATOM 473 CD GLN A 32 86.255 9.216 -6.772 1.00 1.00 C ATOM 474 OE1 GLN A 32 85.449 8.308 -6.729 1.00 1.00 O ATOM 475 NE2 GLN A 32 87.239 9.174 -7.629 1.00 1.00 N ATOM 0 H GLN A 32 84.440 11.863 -3.210 1.00 1.00 H new ATOM 0 HA GLN A 32 86.408 10.864 -2.431 1.00 1.00 H new ATOM 0 HB2 GLN A 32 87.336 9.415 -4.340 1.00 1.00 H new ATOM 0 HB3 GLN A 32 85.611 9.283 -4.063 1.00 1.00 H new ATOM 0 HG2 GLN A 32 85.135 10.851 -5.908 1.00 1.00 H new ATOM 0 HG3 GLN A 32 86.841 11.191 -6.116 1.00 1.00 H new ATOM 0 HE21 GLN A 32 87.916 9.936 -7.666 1.00 1.00 H new ATOM 0 HE22 GLN A 32 87.331 8.379 -8.262 1.00 1.00 H new ATOM 484 N ARG A 33 88.612 11.449 -4.555 1.00 1.00 N ATOM 485 CA ARG A 33 89.903 12.144 -4.820 1.00 1.00 C ATOM 486 C ARG A 33 90.598 12.461 -3.494 1.00 1.00 C ATOM 487 O ARG A 33 90.648 13.595 -3.063 1.00 1.00 O ATOM 488 CB ARG A 33 89.631 13.446 -5.580 1.00 1.00 C ATOM 489 CG ARG A 33 89.308 13.128 -7.041 1.00 1.00 C ATOM 490 CD ARG A 33 88.474 14.263 -7.639 1.00 1.00 C ATOM 491 NE ARG A 33 89.256 15.530 -7.595 1.00 1.00 N ATOM 492 CZ ARG A 33 90.122 15.795 -8.534 1.00 1.00 C ATOM 493 NH1 ARG A 33 90.303 14.950 -9.512 1.00 1.00 N ATOM 494 NH2 ARG A 33 90.807 16.906 -8.496 1.00 1.00 N ATOM 0 H ARG A 33 88.466 10.589 -5.083 1.00 1.00 H new ATOM 0 HA ARG A 33 90.547 11.499 -5.418 1.00 1.00 H new ATOM 0 HB2 ARG A 33 88.799 13.980 -5.121 1.00 1.00 H new ATOM 0 HB3 ARG A 33 90.501 14.101 -5.523 1.00 1.00 H new ATOM 0 HG2 ARG A 33 90.230 13.002 -7.609 1.00 1.00 H new ATOM 0 HG3 ARG A 33 88.761 12.187 -7.107 1.00 1.00 H new ATOM 0 HD2 ARG A 33 88.203 14.026 -8.668 1.00 1.00 H new ATOM 0 HD3 ARG A 33 87.544 14.378 -7.082 1.00 1.00 H new ATOM 0 HE ARG A 33 89.114 16.190 -6.831 1.00 1.00 H new ATOM 0 HH11 ARG A 33 89.767 14.082 -9.542 1.00 1.00 H new ATOM 0 HH12 ARG A 33 90.980 15.157 -10.246 1.00 1.00 H new ATOM 0 HH21 ARG A 33 90.665 17.567 -7.732 1.00 1.00 H new ATOM 0 HH22 ARG A 33 91.484 17.113 -9.230 1.00 1.00 H new ATOM 508 N GLN A 34 91.139 11.465 -2.846 1.00 1.00 N ATOM 509 CA GLN A 34 91.835 11.705 -1.551 1.00 1.00 C ATOM 510 C GLN A 34 90.843 12.276 -0.533 1.00 1.00 C ATOM 511 O GLN A 34 90.759 13.472 -0.335 1.00 1.00 O ATOM 512 CB GLN A 34 92.983 12.699 -1.766 1.00 1.00 C ATOM 513 CG GLN A 34 94.017 12.535 -0.650 1.00 1.00 C ATOM 514 CD GLN A 34 94.872 11.296 -0.923 1.00 1.00 C ATOM 515 OE1 GLN A 34 94.615 10.560 -1.856 1.00 1.00 O ATOM 516 NE2 GLN A 34 95.885 11.033 -0.144 1.00 1.00 N ATOM 0 H GLN A 34 91.129 10.494 -3.159 1.00 1.00 H new ATOM 0 HA GLN A 34 92.236 10.764 -1.174 1.00 1.00 H new ATOM 0 HB2 GLN A 34 93.449 12.528 -2.736 1.00 1.00 H new ATOM 0 HB3 GLN A 34 92.598 13.719 -1.773 1.00 1.00 H new ATOM 0 HG2 GLN A 34 94.650 13.421 -0.593 1.00 1.00 H new ATOM 0 HG3 GLN A 34 93.516 12.439 0.313 1.00 1.00 H new ATOM 0 HE21 GLN A 34 96.100 11.651 0.639 1.00 1.00 H new ATOM 0 HE22 GLN A 34 96.462 10.210 -0.318 1.00 1.00 H new ATOM 525 N THR A 35 90.092 11.429 0.117 1.00 1.00 N ATOM 526 CA THR A 35 89.109 11.923 1.123 1.00 1.00 C ATOM 527 C THR A 35 88.605 10.747 1.962 1.00 1.00 C ATOM 528 O THR A 35 87.702 10.034 1.569 1.00 1.00 O ATOM 529 CB THR A 35 87.928 12.580 0.404 1.00 1.00 C ATOM 530 OG1 THR A 35 88.417 13.460 -0.598 1.00 1.00 O ATOM 531 CG2 THR A 35 87.088 13.367 1.412 1.00 1.00 C ATOM 0 H THR A 35 90.117 10.417 -0.005 1.00 1.00 H new ATOM 0 HA THR A 35 89.590 12.654 1.773 1.00 1.00 H new ATOM 0 HB THR A 35 87.309 11.811 -0.058 1.00 1.00 H new ATOM 0 HG1 THR A 35 89.187 13.956 -0.250 1.00 1.00 H new ATOM 0 HG21 THR A 35 86.247 13.834 0.899 1.00 1.00 H new ATOM 0 HG22 THR A 35 86.714 12.691 2.180 1.00 1.00 H new ATOM 0 HG23 THR A 35 87.704 14.138 1.876 1.00 1.00 H new ATOM 539 N ARG A 36 89.180 10.536 3.114 1.00 1.00 N ATOM 540 CA ARG A 36 88.732 9.405 3.976 1.00 1.00 C ATOM 541 C ARG A 36 88.669 8.127 3.137 1.00 1.00 C ATOM 542 O ARG A 36 87.910 7.222 3.421 1.00 1.00 O ATOM 543 CB ARG A 36 87.343 9.709 4.544 1.00 1.00 C ATOM 544 CG ARG A 36 87.366 11.059 5.264 1.00 1.00 C ATOM 545 CD ARG A 36 87.939 10.878 6.671 1.00 1.00 C ATOM 546 NE ARG A 36 87.128 9.871 7.412 1.00 1.00 N ATOM 547 CZ ARG A 36 85.990 10.217 7.948 1.00 1.00 C ATOM 548 NH1 ARG A 36 85.562 11.445 7.836 1.00 1.00 N ATOM 549 NH2 ARG A 36 85.280 9.335 8.597 1.00 1.00 N ATOM 0 H ARG A 36 89.941 11.098 3.496 1.00 1.00 H new ATOM 0 HA ARG A 36 89.436 9.273 4.797 1.00 1.00 H new ATOM 0 HB2 ARG A 36 86.607 9.727 3.741 1.00 1.00 H new ATOM 0 HB3 ARG A 36 87.042 8.922 5.235 1.00 1.00 H new ATOM 0 HG2 ARG A 36 87.970 11.772 4.703 1.00 1.00 H new ATOM 0 HG3 ARG A 36 86.358 11.470 5.321 1.00 1.00 H new ATOM 0 HD2 ARG A 36 88.978 10.553 6.613 1.00 1.00 H new ATOM 0 HD3 ARG A 36 87.932 11.829 7.203 1.00 1.00 H new ATOM 0 HE ARG A 36 87.463 8.911 7.500 1.00 1.00 H new ATOM 0 HH11 ARG A 36 86.117 12.134 7.329 1.00 1.00 H new ATOM 0 HH12 ARG A 36 84.672 11.715 8.255 1.00 1.00 H new ATOM 0 HH21 ARG A 36 85.615 8.376 8.685 1.00 1.00 H new ATOM 0 HH22 ARG A 36 84.390 9.605 9.016 1.00 1.00 H new ATOM 563 N GLN A 37 89.460 8.050 2.102 1.00 1.00 N ATOM 564 CA GLN A 37 89.448 6.836 1.239 1.00 1.00 C ATOM 565 C GLN A 37 89.964 5.632 2.033 1.00 1.00 C ATOM 566 O GLN A 37 89.936 5.619 3.248 1.00 1.00 O ATOM 567 CB GLN A 37 90.348 7.073 0.024 1.00 1.00 C ATOM 568 CG GLN A 37 91.709 7.594 0.491 1.00 1.00 C ATOM 569 CD GLN A 37 92.708 7.522 -0.666 1.00 1.00 C ATOM 570 OE1 GLN A 37 92.454 8.038 -1.736 1.00 1.00 O ATOM 571 NE2 GLN A 37 93.841 6.898 -0.495 1.00 1.00 N ATOM 0 H GLN A 37 90.115 8.778 1.817 1.00 1.00 H new ATOM 0 HA GLN A 37 88.429 6.635 0.907 1.00 1.00 H new ATOM 0 HB2 GLN A 37 90.474 6.146 -0.535 1.00 1.00 H new ATOM 0 HB3 GLN A 37 89.884 7.792 -0.651 1.00 1.00 H new ATOM 0 HG2 GLN A 37 91.616 8.622 0.842 1.00 1.00 H new ATOM 0 HG3 GLN A 37 92.068 7.001 1.333 1.00 1.00 H new ATOM 0 HE21 GLN A 37 94.054 6.465 0.404 1.00 1.00 H new ATOM 0 HE22 GLN A 37 94.514 6.843 -1.260 1.00 1.00 H new ATOM 580 N CYS A 38 90.435 4.620 1.354 1.00 1.00 N ATOM 581 CA CYS A 38 90.954 3.417 2.063 1.00 1.00 C ATOM 582 C CYS A 38 92.039 2.756 1.212 1.00 1.00 C ATOM 583 O CYS A 38 92.452 3.284 0.199 1.00 1.00 O ATOM 584 CB CYS A 38 89.809 2.426 2.291 1.00 1.00 C ATOM 585 SG CYS A 38 88.727 3.044 3.604 1.00 1.00 S ATOM 0 H CYS A 38 90.482 4.576 0.336 1.00 1.00 H new ATOM 0 HA CYS A 38 91.374 3.713 3.024 1.00 1.00 H new ATOM 0 HB2 CYS A 38 89.241 2.292 1.370 1.00 1.00 H new ATOM 0 HB3 CYS A 38 90.208 1.449 2.564 1.00 1.00 H new ATOM 590 N LYS A 39 92.507 1.606 1.612 1.00 1.00 N ATOM 591 CA LYS A 39 93.565 0.920 0.820 1.00 1.00 C ATOM 592 C LYS A 39 93.013 0.560 -0.561 1.00 1.00 C ATOM 593 O LYS A 39 92.390 1.368 -1.221 1.00 1.00 O ATOM 594 CB LYS A 39 94.004 -0.354 1.546 1.00 1.00 C ATOM 595 CG LYS A 39 94.585 0.010 2.914 1.00 1.00 C ATOM 596 CD LYS A 39 95.548 -1.089 3.369 1.00 1.00 C ATOM 597 CE LYS A 39 94.800 -2.421 3.451 1.00 1.00 C ATOM 598 NZ LYS A 39 95.683 -3.448 4.073 1.00 1.00 N ATOM 0 H LYS A 39 92.203 1.113 2.451 1.00 1.00 H new ATOM 0 HA LYS A 39 94.422 1.583 0.707 1.00 1.00 H new ATOM 0 HB2 LYS A 39 93.155 -1.027 1.667 1.00 1.00 H new ATOM 0 HB3 LYS A 39 94.749 -0.885 0.953 1.00 1.00 H new ATOM 0 HG2 LYS A 39 95.107 0.965 2.857 1.00 1.00 H new ATOM 0 HG3 LYS A 39 93.782 0.129 3.642 1.00 1.00 H new ATOM 0 HD2 LYS A 39 96.381 -1.170 2.670 1.00 1.00 H new ATOM 0 HD3 LYS A 39 95.971 -0.837 4.341 1.00 1.00 H new ATOM 0 HE2 LYS A 39 93.890 -2.304 4.039 1.00 1.00 H new ATOM 0 HE3 LYS A 39 94.496 -2.742 2.455 1.00 1.00 H new ATOM 0 HZ1 LYS A 39 95.176 -4.354 4.129 1.00 1.00 H new ATOM 0 HZ2 LYS A 39 96.539 -3.566 3.495 1.00 1.00 H new ATOM 0 HZ3 LYS A 39 95.951 -3.142 5.030 1.00 1.00 H new ATOM 612 N SER A 40 93.237 -0.647 -1.006 1.00 1.00 N ATOM 613 CA SER A 40 92.724 -1.052 -2.345 1.00 1.00 C ATOM 614 C SER A 40 92.643 -2.578 -2.422 1.00 1.00 C ATOM 615 O SER A 40 91.736 -3.128 -3.012 1.00 1.00 O ATOM 616 CB SER A 40 93.672 -0.538 -3.430 1.00 1.00 C ATOM 617 OG SER A 40 93.513 0.867 -3.565 1.00 1.00 O ATOM 0 H SER A 40 93.752 -1.368 -0.501 1.00 1.00 H new ATOM 0 HA SER A 40 91.731 -0.628 -2.496 1.00 1.00 H new ATOM 0 HB2 SER A 40 94.704 -0.776 -3.170 1.00 1.00 H new ATOM 0 HB3 SER A 40 93.460 -1.032 -4.378 1.00 1.00 H new ATOM 0 HG SER A 40 92.832 1.181 -2.934 1.00 1.00 H new ATOM 623 N LYS A 41 93.588 -3.261 -1.828 1.00 1.00 N ATOM 624 CA LYS A 41 93.581 -4.756 -1.860 1.00 1.00 C ATOM 625 C LYS A 41 92.141 -5.275 -1.740 1.00 1.00 C ATOM 626 O LYS A 41 91.583 -5.313 -0.661 1.00 1.00 O ATOM 627 CB LYS A 41 94.403 -5.284 -0.682 1.00 1.00 C ATOM 628 CG LYS A 41 95.828 -4.735 -0.766 1.00 1.00 C ATOM 629 CD LYS A 41 96.547 -4.973 0.564 1.00 1.00 C ATOM 630 CE LYS A 41 97.886 -4.234 0.561 1.00 1.00 C ATOM 631 NZ LYS A 41 97.643 -2.764 0.598 1.00 1.00 N ATOM 0 H LYS A 41 94.369 -2.846 -1.319 1.00 1.00 H new ATOM 0 HA LYS A 41 94.010 -5.099 -2.801 1.00 1.00 H new ATOM 0 HB2 LYS A 41 93.942 -4.985 0.259 1.00 1.00 H new ATOM 0 HB3 LYS A 41 94.421 -6.374 -0.697 1.00 1.00 H new ATOM 0 HG2 LYS A 41 96.370 -5.223 -1.577 1.00 1.00 H new ATOM 0 HG3 LYS A 41 95.805 -3.669 -0.994 1.00 1.00 H new ATOM 0 HD2 LYS A 41 95.929 -4.624 1.391 1.00 1.00 H new ATOM 0 HD3 LYS A 41 96.709 -6.040 0.716 1.00 1.00 H new ATOM 0 HE2 LYS A 41 98.482 -4.536 1.422 1.00 1.00 H new ATOM 0 HE3 LYS A 41 98.456 -4.497 -0.330 1.00 1.00 H new ATOM 0 HZ1 LYS A 41 98.396 -2.301 1.146 1.00 1.00 H new ATOM 0 HZ2 LYS A 41 97.639 -2.388 -0.372 1.00 1.00 H new ATOM 0 HZ3 LYS A 41 96.724 -2.575 1.046 1.00 1.00 H new ATOM 645 N PRO A 42 91.537 -5.669 -2.837 1.00 1.00 N ATOM 646 CA PRO A 42 90.143 -6.185 -2.840 1.00 1.00 C ATOM 647 C PRO A 42 90.079 -7.690 -2.538 1.00 1.00 C ATOM 648 O PRO A 42 91.010 -8.420 -2.814 1.00 1.00 O ATOM 649 CB PRO A 42 89.681 -5.904 -4.269 1.00 1.00 C ATOM 650 CG PRO A 42 90.919 -6.010 -5.101 1.00 1.00 C ATOM 651 CD PRO A 42 92.107 -5.662 -4.194 1.00 1.00 C ATOM 0 HA PRO A 42 89.525 -5.718 -2.073 1.00 1.00 H new ATOM 0 HB2 PRO A 42 88.927 -6.623 -4.589 1.00 1.00 H new ATOM 0 HB3 PRO A 42 89.233 -4.914 -4.352 1.00 1.00 H new ATOM 0 HG2 PRO A 42 91.026 -7.017 -5.505 1.00 1.00 H new ATOM 0 HG3 PRO A 42 90.871 -5.329 -5.950 1.00 1.00 H new ATOM 0 HD2 PRO A 42 92.911 -6.392 -4.292 1.00 1.00 H new ATOM 0 HD3 PRO A 42 92.528 -4.688 -4.445 1.00 1.00 H new ATOM 659 N PRO A 43 88.988 -8.150 -1.980 1.00 1.00 N ATOM 660 CA PRO A 43 88.803 -9.592 -1.644 1.00 1.00 C ATOM 661 C PRO A 43 88.485 -10.436 -2.884 1.00 1.00 C ATOM 662 O PRO A 43 88.138 -9.918 -3.926 1.00 1.00 O ATOM 663 CB PRO A 43 87.613 -9.581 -0.683 1.00 1.00 C ATOM 664 CG PRO A 43 86.811 -8.388 -1.085 1.00 1.00 C ATOM 665 CD PRO A 43 87.808 -7.350 -1.610 1.00 1.00 C ATOM 0 HA PRO A 43 89.704 -10.035 -1.220 1.00 1.00 H new ATOM 0 HB2 PRO A 43 87.028 -10.497 -0.766 1.00 1.00 H new ATOM 0 HB3 PRO A 43 87.942 -9.506 0.353 1.00 1.00 H new ATOM 0 HG2 PRO A 43 86.084 -8.651 -1.853 1.00 1.00 H new ATOM 0 HG3 PRO A 43 86.251 -7.994 -0.237 1.00 1.00 H new ATOM 0 HD2 PRO A 43 87.407 -6.809 -2.467 1.00 1.00 H new ATOM 0 HD3 PRO A 43 88.051 -6.608 -0.849 1.00 1.00 H new ATOM 673 N LYS A 44 88.597 -11.732 -2.778 1.00 1.00 N ATOM 674 CA LYS A 44 88.297 -12.602 -3.950 1.00 1.00 C ATOM 675 C LYS A 44 86.780 -12.706 -4.130 1.00 1.00 C ATOM 676 O LYS A 44 86.054 -11.758 -3.906 1.00 1.00 O ATOM 677 CB LYS A 44 88.878 -13.999 -3.713 1.00 1.00 C ATOM 678 CG LYS A 44 90.297 -13.875 -3.154 1.00 1.00 C ATOM 679 CD LYS A 44 91.001 -15.230 -3.241 1.00 1.00 C ATOM 680 CE LYS A 44 92.218 -15.234 -2.314 1.00 1.00 C ATOM 681 NZ LYS A 44 92.853 -16.582 -2.334 1.00 1.00 N ATOM 0 H LYS A 44 88.883 -12.225 -1.932 1.00 1.00 H new ATOM 0 HA LYS A 44 88.743 -12.171 -4.846 1.00 1.00 H new ATOM 0 HB2 LYS A 44 88.249 -14.553 -3.016 1.00 1.00 H new ATOM 0 HB3 LYS A 44 88.892 -14.562 -4.646 1.00 1.00 H new ATOM 0 HG2 LYS A 44 90.856 -13.126 -3.715 1.00 1.00 H new ATOM 0 HG3 LYS A 44 90.263 -13.537 -2.118 1.00 1.00 H new ATOM 0 HD2 LYS A 44 90.314 -16.028 -2.959 1.00 1.00 H new ATOM 0 HD3 LYS A 44 91.312 -15.425 -4.267 1.00 1.00 H new ATOM 0 HE2 LYS A 44 92.935 -14.478 -2.634 1.00 1.00 H new ATOM 0 HE3 LYS A 44 91.916 -14.977 -1.299 1.00 1.00 H new ATOM 0 HZ1 LYS A 44 93.680 -16.585 -1.704 1.00 1.00 H new ATOM 0 HZ2 LYS A 44 92.168 -17.293 -2.009 1.00 1.00 H new ATOM 0 HZ3 LYS A 44 93.155 -16.809 -3.303 1.00 1.00 H new ATOM 695 N LYS A 45 86.299 -13.851 -4.532 1.00 1.00 N ATOM 696 CA LYS A 45 84.829 -14.026 -4.726 1.00 1.00 C ATOM 697 C LYS A 45 84.322 -13.045 -5.787 1.00 1.00 C ATOM 698 O LYS A 45 83.198 -13.137 -6.240 1.00 1.00 O ATOM 699 CB LYS A 45 84.098 -13.770 -3.404 1.00 1.00 C ATOM 700 CG LYS A 45 84.806 -14.518 -2.273 1.00 1.00 C ATOM 701 CD LYS A 45 84.183 -14.127 -0.932 1.00 1.00 C ATOM 702 CE LYS A 45 82.748 -14.653 -0.863 1.00 1.00 C ATOM 703 NZ LYS A 45 81.830 -13.683 -1.524 1.00 1.00 N ATOM 0 H LYS A 45 86.862 -14.677 -4.735 1.00 1.00 H new ATOM 0 HA LYS A 45 84.634 -15.046 -5.057 1.00 1.00 H new ATOM 0 HB2 LYS A 45 84.077 -12.702 -3.190 1.00 1.00 H new ATOM 0 HB3 LYS A 45 83.062 -14.101 -3.480 1.00 1.00 H new ATOM 0 HG2 LYS A 45 84.721 -15.594 -2.425 1.00 1.00 H new ATOM 0 HG3 LYS A 45 85.870 -14.279 -2.275 1.00 1.00 H new ATOM 0 HD2 LYS A 45 84.772 -14.538 -0.112 1.00 1.00 H new ATOM 0 HD3 LYS A 45 84.190 -13.043 -0.818 1.00 1.00 H new ATOM 0 HE2 LYS A 45 82.682 -15.624 -1.353 1.00 1.00 H new ATOM 0 HE3 LYS A 45 82.453 -14.799 0.176 1.00 1.00 H new ATOM 0 HZ1 LYS A 45 81.056 -13.440 -0.874 1.00 1.00 H new ATOM 0 HZ2 LYS A 45 82.356 -12.821 -1.773 1.00 1.00 H new ATOM 0 HZ3 LYS A 45 81.436 -14.110 -2.387 1.00 1.00 H new ATOM 717 N GLY A 46 85.136 -12.108 -6.190 1.00 1.00 N ATOM 718 CA GLY A 46 84.690 -11.131 -7.222 1.00 1.00 C ATOM 719 C GLY A 46 84.641 -11.818 -8.587 1.00 1.00 C ATOM 720 O GLY A 46 84.818 -13.015 -8.696 1.00 1.00 O ATOM 0 H GLY A 46 86.089 -11.977 -5.850 1.00 1.00 H new ATOM 0 HA2 GLY A 46 83.706 -10.738 -6.965 1.00 1.00 H new ATOM 0 HA3 GLY A 46 85.373 -10.283 -7.254 1.00 1.00 H new ATOM 724 N VAL A 47 84.401 -11.070 -9.629 1.00 1.00 N ATOM 725 CA VAL A 47 84.339 -11.675 -10.991 1.00 1.00 C ATOM 726 C VAL A 47 83.225 -12.725 -11.041 1.00 1.00 C ATOM 727 O VAL A 47 82.926 -13.274 -12.083 1.00 1.00 O ATOM 728 CB VAL A 47 85.681 -12.338 -11.320 1.00 1.00 C ATOM 729 CG1 VAL A 47 85.766 -12.602 -12.825 1.00 1.00 C ATOM 730 CG2 VAL A 47 86.823 -11.410 -10.901 1.00 1.00 C ATOM 0 H VAL A 47 84.245 -10.063 -9.596 1.00 1.00 H new ATOM 0 HA VAL A 47 84.131 -10.893 -11.721 1.00 1.00 H new ATOM 0 HB VAL A 47 85.761 -13.282 -10.781 1.00 1.00 H new ATOM 0 HG11 VAL A 47 86.721 -13.073 -13.058 1.00 1.00 H new ATOM 0 HG12 VAL A 47 84.952 -13.262 -13.125 1.00 1.00 H new ATOM 0 HG13 VAL A 47 85.686 -11.659 -13.365 1.00 1.00 H new ATOM 0 HG21 VAL A 47 87.778 -11.880 -11.134 1.00 1.00 H new ATOM 0 HG22 VAL A 47 86.742 -10.466 -11.441 1.00 1.00 H new ATOM 0 HG23 VAL A 47 86.764 -11.221 -9.829 1.00 1.00 H new ATOM 740 N GLN A 48 82.606 -13.009 -9.927 1.00 1.00 N ATOM 741 CA GLN A 48 81.513 -14.023 -9.919 1.00 1.00 C ATOM 742 C GLN A 48 80.839 -14.034 -8.546 1.00 1.00 C ATOM 743 O GLN A 48 80.563 -15.078 -7.988 1.00 1.00 O ATOM 744 CB GLN A 48 82.097 -15.409 -10.213 1.00 1.00 C ATOM 745 CG GLN A 48 80.976 -16.354 -10.651 1.00 1.00 C ATOM 746 CD GLN A 48 81.573 -17.707 -11.044 1.00 1.00 C ATOM 747 OE1 GLN A 48 82.576 -18.123 -10.499 1.00 1.00 O ATOM 748 NE2 GLN A 48 80.994 -18.416 -11.974 1.00 1.00 N ATOM 0 H GLN A 48 82.810 -12.583 -9.023 1.00 1.00 H new ATOM 0 HA GLN A 48 80.778 -13.770 -10.683 1.00 1.00 H new ATOM 0 HB2 GLN A 48 82.853 -15.338 -10.995 1.00 1.00 H new ATOM 0 HB3 GLN A 48 82.592 -15.802 -9.325 1.00 1.00 H new ATOM 0 HG2 GLN A 48 80.258 -16.483 -9.841 1.00 1.00 H new ATOM 0 HG3 GLN A 48 80.433 -15.926 -11.494 1.00 1.00 H new ATOM 0 HE21 GLN A 48 80.152 -18.067 -12.432 1.00 1.00 H new ATOM 0 HE22 GLN A 48 81.383 -19.319 -12.243 1.00 1.00 H new ATOM 757 N GLY A 49 80.570 -12.882 -7.995 1.00 1.00 N ATOM 758 CA GLY A 49 79.914 -12.828 -6.657 1.00 1.00 C ATOM 759 C GLY A 49 79.020 -11.591 -6.579 1.00 1.00 C ATOM 760 O GLY A 49 77.944 -11.625 -6.017 1.00 1.00 O ATOM 0 H GLY A 49 80.776 -11.975 -8.414 1.00 1.00 H new ATOM 0 HA2 GLY A 49 79.322 -13.729 -6.493 1.00 1.00 H new ATOM 0 HA3 GLY A 49 80.668 -12.795 -5.871 1.00 1.00 H new ATOM 764 N CYS A 50 79.457 -10.497 -7.140 1.00 1.00 N ATOM 765 CA CYS A 50 78.631 -9.258 -7.097 1.00 1.00 C ATOM 766 C CYS A 50 79.262 -8.192 -7.996 1.00 1.00 C ATOM 767 O CYS A 50 78.587 -7.327 -8.517 1.00 1.00 O ATOM 768 CB CYS A 50 78.566 -8.740 -5.659 1.00 1.00 C ATOM 769 SG CYS A 50 77.234 -7.523 -5.516 1.00 1.00 S ATOM 0 H CYS A 50 80.349 -10.408 -7.626 1.00 1.00 H new ATOM 0 HA CYS A 50 77.624 -9.480 -7.450 1.00 1.00 H new ATOM 0 HB2 CYS A 50 78.393 -9.567 -4.971 1.00 1.00 H new ATOM 0 HB3 CYS A 50 79.518 -8.288 -5.381 1.00 1.00 H new ATOM 774 N GLY A 51 80.554 -8.247 -8.181 1.00 1.00 N ATOM 775 CA GLY A 51 81.231 -7.236 -9.046 1.00 1.00 C ATOM 776 C GLY A 51 81.376 -7.788 -10.465 1.00 1.00 C ATOM 777 O GLY A 51 81.962 -7.163 -11.327 1.00 1.00 O ATOM 0 H GLY A 51 81.170 -8.948 -7.771 1.00 1.00 H new ATOM 0 HA2 GLY A 51 80.654 -6.312 -9.062 1.00 1.00 H new ATOM 0 HA3 GLY A 51 82.212 -6.992 -8.638 1.00 1.00 H new ATOM 781 N ASP A 52 80.850 -8.955 -10.716 1.00 1.00 N ATOM 782 CA ASP A 52 80.961 -9.543 -12.081 1.00 1.00 C ATOM 783 C ASP A 52 80.282 -8.618 -13.092 1.00 1.00 C ATOM 784 O ASP A 52 80.637 -8.584 -14.254 1.00 1.00 O ATOM 785 CB ASP A 52 80.280 -10.913 -12.104 1.00 1.00 C ATOM 786 CG ASP A 52 78.933 -10.826 -11.384 1.00 1.00 C ATOM 787 OD1 ASP A 52 78.937 -10.783 -10.165 1.00 1.00 O ATOM 788 OD2 ASP A 52 77.920 -10.804 -12.065 1.00 1.00 O ATOM 0 H ASP A 52 80.349 -9.526 -10.036 1.00 1.00 H new ATOM 0 HA ASP A 52 82.013 -9.657 -12.343 1.00 1.00 H new ATOM 0 HB2 ASP A 52 80.134 -11.241 -13.133 1.00 1.00 H new ATOM 0 HB3 ASP A 52 80.916 -11.655 -11.620 1.00 1.00 H new ATOM 793 N ASP A 53 79.306 -7.866 -12.660 1.00 1.00 N ATOM 794 CA ASP A 53 78.604 -6.944 -13.597 1.00 1.00 C ATOM 795 C ASP A 53 79.380 -5.628 -13.695 1.00 1.00 C ATOM 796 O ASP A 53 80.522 -5.539 -13.290 1.00 1.00 O ATOM 797 CB ASP A 53 77.191 -6.668 -13.077 1.00 1.00 C ATOM 798 CG ASP A 53 76.339 -6.077 -14.202 1.00 1.00 C ATOM 799 OD1 ASP A 53 76.250 -6.705 -15.244 1.00 1.00 O ATOM 800 OD2 ASP A 53 75.790 -5.006 -14.002 1.00 1.00 O ATOM 0 H ASP A 53 78.965 -7.851 -11.699 1.00 1.00 H new ATOM 0 HA ASP A 53 78.544 -7.404 -14.584 1.00 1.00 H new ATOM 0 HB2 ASP A 53 76.740 -7.591 -12.711 1.00 1.00 H new ATOM 0 HB3 ASP A 53 77.231 -5.977 -12.235 1.00 1.00 H new ATOM 805 N ILE A 54 78.765 -4.607 -14.232 1.00 1.00 N ATOM 806 CA ILE A 54 79.455 -3.289 -14.363 1.00 1.00 C ATOM 807 C ILE A 54 78.757 -2.258 -13.468 1.00 1.00 C ATOM 808 O ILE A 54 77.826 -1.600 -13.889 1.00 1.00 O ATOM 809 CB ILE A 54 79.375 -2.821 -15.819 1.00 1.00 C ATOM 810 CG1 ILE A 54 79.869 -3.938 -16.740 1.00 1.00 C ATOM 811 CG2 ILE A 54 80.252 -1.582 -16.007 1.00 1.00 C ATOM 812 CD1 ILE A 54 81.262 -4.389 -16.295 1.00 1.00 C ATOM 0 H ILE A 54 77.809 -4.629 -14.587 1.00 1.00 H new ATOM 0 HA ILE A 54 80.498 -3.392 -14.063 1.00 1.00 H new ATOM 0 HB ILE A 54 78.342 -2.575 -16.065 1.00 1.00 H new ATOM 0 HG12 ILE A 54 79.177 -4.779 -16.712 1.00 1.00 H new ATOM 0 HG13 ILE A 54 79.901 -3.586 -17.771 1.00 1.00 H new ATOM 0 HG21 ILE A 54 80.195 -1.249 -17.043 1.00 1.00 H new ATOM 0 HG22 ILE A 54 79.902 -0.785 -15.350 1.00 1.00 H new ATOM 0 HG23 ILE A 54 81.285 -1.827 -15.761 1.00 1.00 H new ATOM 0 HD11 ILE A 54 81.614 -5.185 -16.951 1.00 1.00 H new ATOM 0 HD12 ILE A 54 81.951 -3.546 -16.346 1.00 1.00 H new ATOM 0 HD13 ILE A 54 81.215 -4.758 -15.270 1.00 1.00 H new ATOM 824 N PRO A 55 79.195 -2.117 -12.241 1.00 1.00 N ATOM 825 CA PRO A 55 78.591 -1.150 -11.283 1.00 1.00 C ATOM 826 C PRO A 55 79.095 0.280 -11.510 1.00 1.00 C ATOM 827 O PRO A 55 80.265 0.506 -11.745 1.00 1.00 O ATOM 828 CB PRO A 55 79.043 -1.675 -9.920 1.00 1.00 C ATOM 829 CG PRO A 55 80.343 -2.364 -10.181 1.00 1.00 C ATOM 830 CD PRO A 55 80.308 -2.862 -11.630 1.00 1.00 C ATOM 0 HA PRO A 55 77.508 -1.087 -11.388 1.00 1.00 H new ATOM 0 HB2 PRO A 55 79.164 -0.862 -9.205 1.00 1.00 H new ATOM 0 HB3 PRO A 55 78.310 -2.363 -9.499 1.00 1.00 H new ATOM 0 HG2 PRO A 55 81.178 -1.680 -10.029 1.00 1.00 H new ATOM 0 HG3 PRO A 55 80.483 -3.196 -9.491 1.00 1.00 H new ATOM 0 HD2 PRO A 55 81.249 -2.663 -12.142 1.00 1.00 H new ATOM 0 HD3 PRO A 55 80.141 -3.938 -11.677 1.00 1.00 H new ATOM 838 N GLY A 56 78.217 1.246 -11.439 1.00 1.00 N ATOM 839 CA GLY A 56 78.639 2.662 -11.649 1.00 1.00 C ATOM 840 C GLY A 56 78.320 3.087 -13.084 1.00 1.00 C ATOM 841 O GLY A 56 78.969 3.949 -13.643 1.00 1.00 O ATOM 0 H GLY A 56 77.224 1.115 -11.244 1.00 1.00 H new ATOM 0 HA2 GLY A 56 78.124 3.314 -10.943 1.00 1.00 H new ATOM 0 HA3 GLY A 56 79.707 2.766 -11.458 1.00 1.00 H new ATOM 845 N MET A 57 77.322 2.492 -13.683 1.00 1.00 N ATOM 846 CA MET A 57 76.957 2.862 -15.082 1.00 1.00 C ATOM 847 C MET A 57 75.763 3.821 -15.059 1.00 1.00 C ATOM 848 O MET A 57 75.420 4.426 -16.055 1.00 1.00 O ATOM 849 CB MET A 57 76.588 1.599 -15.872 1.00 1.00 C ATOM 850 CG MET A 57 75.872 0.609 -14.951 1.00 1.00 C ATOM 851 SD MET A 57 74.361 1.368 -14.307 1.00 1.00 S ATOM 852 CE MET A 57 73.703 -0.102 -13.481 1.00 1.00 C ATOM 0 H MET A 57 76.743 1.765 -13.263 1.00 1.00 H new ATOM 0 HA MET A 57 77.806 3.349 -15.561 1.00 1.00 H new ATOM 0 HB2 MET A 57 75.945 1.859 -16.713 1.00 1.00 H new ATOM 0 HB3 MET A 57 77.486 1.141 -16.286 1.00 1.00 H new ATOM 0 HG2 MET A 57 75.629 -0.302 -15.498 1.00 1.00 H new ATOM 0 HG3 MET A 57 76.527 0.322 -14.128 1.00 1.00 H new ATOM 0 HE1 MET A 57 72.753 0.142 -13.006 1.00 1.00 H new ATOM 0 HE2 MET A 57 73.549 -0.893 -14.215 1.00 1.00 H new ATOM 0 HE3 MET A 57 74.410 -0.442 -12.725 1.00 1.00 H new ATOM 862 N GLU A 58 75.130 3.964 -13.926 1.00 1.00 N ATOM 863 CA GLU A 58 73.958 4.882 -13.832 1.00 1.00 C ATOM 864 C GLU A 58 73.388 4.819 -12.411 1.00 1.00 C ATOM 865 O GLU A 58 72.528 5.592 -12.040 1.00 1.00 O ATOM 866 CB GLU A 58 72.884 4.452 -14.846 1.00 1.00 C ATOM 867 CG GLU A 58 72.653 5.579 -15.855 1.00 1.00 C ATOM 868 CD GLU A 58 72.009 6.773 -15.148 1.00 1.00 C ATOM 869 OE1 GLU A 58 70.837 6.681 -14.820 1.00 1.00 O ATOM 870 OE2 GLU A 58 72.698 7.759 -14.946 1.00 1.00 O ATOM 0 H GLU A 58 75.374 3.484 -13.060 1.00 1.00 H new ATOM 0 HA GLU A 58 74.268 5.903 -14.056 1.00 1.00 H new ATOM 0 HB2 GLU A 58 73.199 3.546 -15.363 1.00 1.00 H new ATOM 0 HB3 GLU A 58 71.954 4.217 -14.329 1.00 1.00 H new ATOM 0 HG2 GLU A 58 73.599 5.877 -16.306 1.00 1.00 H new ATOM 0 HG3 GLU A 58 72.010 5.231 -16.664 1.00 1.00 H new ATOM 877 N GLY A 59 73.864 3.900 -11.616 1.00 1.00 N ATOM 878 CA GLY A 59 73.356 3.780 -10.220 1.00 1.00 C ATOM 879 C GLY A 59 74.097 2.648 -9.509 1.00 1.00 C ATOM 880 O GLY A 59 75.236 2.792 -9.112 1.00 1.00 O ATOM 0 H GLY A 59 74.584 3.226 -11.874 1.00 1.00 H new ATOM 0 HA2 GLY A 59 73.503 4.718 -9.685 1.00 1.00 H new ATOM 0 HA3 GLY A 59 72.284 3.581 -10.226 1.00 1.00 H new ATOM 884 N CYS A 60 73.461 1.519 -9.349 1.00 1.00 N ATOM 885 CA CYS A 60 74.131 0.375 -8.667 1.00 1.00 C ATOM 886 C CYS A 60 73.510 -0.938 -9.150 1.00 1.00 C ATOM 887 O CYS A 60 73.933 -2.012 -8.771 1.00 1.00 O ATOM 888 CB CYS A 60 73.946 0.502 -7.153 1.00 1.00 C ATOM 889 SG CYS A 60 74.412 2.170 -6.626 1.00 1.00 S ATOM 0 H CYS A 60 72.507 1.340 -9.661 1.00 1.00 H new ATOM 0 HA CYS A 60 75.195 0.383 -8.903 1.00 1.00 H new ATOM 0 HB2 CYS A 60 72.909 0.301 -6.884 1.00 1.00 H new ATOM 0 HB3 CYS A 60 74.558 -0.238 -6.638 1.00 1.00 H new ATOM 894 N GLY A 61 72.512 -0.858 -9.987 1.00 1.00 N ATOM 895 CA GLY A 61 71.862 -2.098 -10.502 1.00 1.00 C ATOM 896 C GLY A 61 71.618 -3.073 -9.348 1.00 1.00 C ATOM 897 O GLY A 61 71.701 -4.274 -9.512 1.00 1.00 O ATOM 0 H GLY A 61 72.117 0.015 -10.338 1.00 1.00 H new ATOM 0 HA2 GLY A 61 70.918 -1.850 -10.987 1.00 1.00 H new ATOM 0 HA3 GLY A 61 72.495 -2.565 -11.257 1.00 1.00 H new ATOM 901 N THR A 62 71.318 -2.568 -8.183 1.00 1.00 N ATOM 902 CA THR A 62 71.070 -3.469 -7.022 1.00 1.00 C ATOM 903 C THR A 62 70.543 -2.649 -5.842 1.00 1.00 C ATOM 904 O THR A 62 71.188 -2.528 -4.820 1.00 1.00 O ATOM 905 CB THR A 62 72.379 -4.159 -6.626 1.00 1.00 C ATOM 906 OG1 THR A 62 72.127 -5.079 -5.573 1.00 1.00 O ATOM 907 CG2 THR A 62 73.390 -3.110 -6.160 1.00 1.00 C ATOM 0 H THR A 62 71.234 -1.571 -7.985 1.00 1.00 H new ATOM 0 HA THR A 62 70.331 -4.222 -7.296 1.00 1.00 H new ATOM 0 HB THR A 62 72.784 -4.693 -7.486 1.00 1.00 H new ATOM 0 HG1 THR A 62 72.719 -5.854 -5.667 1.00 1.00 H new ATOM 0 HG21 THR A 62 74.321 -3.602 -5.878 1.00 1.00 H new ATOM 0 HG22 THR A 62 73.582 -2.405 -6.969 1.00 1.00 H new ATOM 0 HG23 THR A 62 72.988 -2.574 -5.300 1.00 1.00 H new ATOM 915 N ASP A 63 69.376 -2.082 -5.977 1.00 1.00 N ATOM 916 CA ASP A 63 68.808 -1.266 -4.866 1.00 1.00 C ATOM 917 C ASP A 63 68.412 -2.178 -3.701 1.00 1.00 C ATOM 918 O ASP A 63 67.699 -1.776 -2.804 1.00 1.00 O ATOM 919 CB ASP A 63 67.573 -0.515 -5.367 1.00 1.00 C ATOM 920 CG ASP A 63 67.886 0.143 -6.712 1.00 1.00 C ATOM 921 OD1 ASP A 63 69.000 0.615 -6.873 1.00 1.00 O ATOM 922 OD2 ASP A 63 67.008 0.163 -7.558 1.00 1.00 O ATOM 0 H ASP A 63 68.790 -2.148 -6.809 1.00 1.00 H new ATOM 0 HA ASP A 63 69.558 -0.552 -4.524 1.00 1.00 H new ATOM 0 HB2 ASP A 63 66.734 -1.203 -5.473 1.00 1.00 H new ATOM 0 HB3 ASP A 63 67.275 0.241 -4.641 1.00 1.00 H new ATOM 927 N ILE A 64 68.868 -3.401 -3.703 1.00 1.00 N ATOM 928 CA ILE A 64 68.513 -4.327 -2.589 1.00 1.00 C ATOM 929 C ILE A 64 69.445 -5.535 -2.609 1.00 1.00 C ATOM 930 O ILE A 64 69.475 -6.316 -1.679 1.00 1.00 O ATOM 931 CB ILE A 64 67.061 -4.795 -2.755 1.00 1.00 C ATOM 932 CG1 ILE A 64 66.875 -6.137 -2.044 1.00 1.00 C ATOM 933 CG2 ILE A 64 66.744 -4.960 -4.242 1.00 1.00 C ATOM 934 CD1 ILE A 64 65.381 -6.437 -1.902 1.00 1.00 C ATOM 0 H ILE A 64 69.469 -3.798 -4.425 1.00 1.00 H new ATOM 0 HA ILE A 64 68.620 -3.806 -1.638 1.00 1.00 H new ATOM 0 HB ILE A 64 66.389 -4.055 -2.320 1.00 1.00 H new ATOM 0 HG12 ILE A 64 67.364 -6.931 -2.609 1.00 1.00 H new ATOM 0 HG13 ILE A 64 67.346 -6.108 -1.061 1.00 1.00 H new ATOM 0 HG21 ILE A 64 65.713 -5.292 -4.359 1.00 1.00 H new ATOM 0 HG22 ILE A 64 66.878 -4.005 -4.751 1.00 1.00 H new ATOM 0 HG23 ILE A 64 67.416 -5.700 -4.677 1.00 1.00 H new ATOM 0 HD11 ILE A 64 65.248 -7.393 -1.396 1.00 1.00 H new ATOM 0 HD12 ILE A 64 64.905 -5.648 -1.319 1.00 1.00 H new ATOM 0 HD13 ILE A 64 64.924 -6.484 -2.890 1.00 1.00 H new ATOM 946 N THR A 65 70.192 -5.705 -3.665 1.00 1.00 N ATOM 947 CA THR A 65 71.103 -6.885 -3.747 1.00 1.00 C ATOM 948 C THR A 65 70.405 -8.068 -3.080 1.00 1.00 C ATOM 949 O THR A 65 70.984 -8.790 -2.295 1.00 1.00 O ATOM 950 CB THR A 65 72.413 -6.586 -3.020 1.00 1.00 C ATOM 951 OG1 THR A 65 72.865 -5.288 -3.378 1.00 1.00 O ATOM 952 CG2 THR A 65 73.466 -7.623 -3.414 1.00 1.00 C ATOM 0 H THR A 65 70.212 -5.082 -4.472 1.00 1.00 H new ATOM 0 HA THR A 65 71.329 -7.113 -4.789 1.00 1.00 H new ATOM 0 HB THR A 65 72.250 -6.630 -1.943 1.00 1.00 H new ATOM 0 HG1 THR A 65 72.496 -5.043 -4.252 1.00 1.00 H new ATOM 0 HG21 THR A 65 74.400 -7.409 -2.895 1.00 1.00 H new ATOM 0 HG22 THR A 65 73.118 -8.618 -3.138 1.00 1.00 H new ATOM 0 HG23 THR A 65 73.632 -7.582 -4.491 1.00 1.00 H new ATOM 960 N VAL A 66 69.145 -8.231 -3.370 1.00 1.00 N ATOM 961 CA VAL A 66 68.352 -9.325 -2.742 1.00 1.00 C ATOM 962 C VAL A 66 68.182 -8.997 -1.257 1.00 1.00 C ATOM 963 O VAL A 66 67.096 -9.046 -0.715 1.00 1.00 O ATOM 964 CB VAL A 66 69.076 -10.668 -2.902 1.00 1.00 C ATOM 965 CG1 VAL A 66 68.092 -11.812 -2.650 1.00 1.00 C ATOM 966 CG2 VAL A 66 69.633 -10.779 -4.323 1.00 1.00 C ATOM 0 H VAL A 66 68.624 -7.646 -4.023 1.00 1.00 H new ATOM 0 HA VAL A 66 67.379 -9.405 -3.227 1.00 1.00 H new ATOM 0 HB VAL A 66 69.894 -10.728 -2.184 1.00 1.00 H new ATOM 0 HG11 VAL A 66 68.607 -12.766 -2.764 1.00 1.00 H new ATOM 0 HG12 VAL A 66 67.693 -11.733 -1.639 1.00 1.00 H new ATOM 0 HG13 VAL A 66 67.274 -11.753 -3.368 1.00 1.00 H new ATOM 0 HG21 VAL A 66 70.148 -11.733 -4.439 1.00 1.00 H new ATOM 0 HG22 VAL A 66 68.814 -10.719 -5.040 1.00 1.00 H new ATOM 0 HG23 VAL A 66 70.334 -9.964 -4.504 1.00 1.00 H new ATOM 976 N ILE A 67 69.257 -8.644 -0.608 1.00 1.00 N ATOM 977 CA ILE A 67 69.200 -8.283 0.837 1.00 1.00 C ATOM 978 C ILE A 67 70.091 -7.060 1.072 1.00 1.00 C ATOM 979 O ILE A 67 71.273 -7.190 1.321 1.00 1.00 O ATOM 980 CB ILE A 67 69.704 -9.455 1.683 1.00 1.00 C ATOM 981 CG1 ILE A 67 68.700 -10.607 1.606 1.00 1.00 C ATOM 982 CG2 ILE A 67 69.854 -9.008 3.138 1.00 1.00 C ATOM 983 CD1 ILE A 67 69.305 -11.857 2.247 1.00 1.00 C ATOM 0 H ILE A 67 70.187 -8.590 -1.024 1.00 1.00 H new ATOM 0 HA ILE A 67 68.173 -8.057 1.122 1.00 1.00 H new ATOM 0 HB ILE A 67 70.670 -9.787 1.304 1.00 1.00 H new ATOM 0 HG12 ILE A 67 67.777 -10.334 2.118 1.00 1.00 H new ATOM 0 HG13 ILE A 67 68.441 -10.808 0.567 1.00 1.00 H new ATOM 0 HG21 ILE A 67 70.213 -9.843 3.740 1.00 1.00 H new ATOM 0 HG22 ILE A 67 70.568 -8.187 3.194 1.00 1.00 H new ATOM 0 HG23 ILE A 67 68.888 -8.676 3.518 1.00 1.00 H new ATOM 0 HD11 ILE A 67 68.589 -12.677 2.192 1.00 1.00 H new ATOM 0 HD12 ILE A 67 70.216 -12.134 1.716 1.00 1.00 H new ATOM 0 HD13 ILE A 67 69.542 -11.652 3.291 1.00 1.00 H new ATOM 995 N CYS A 68 69.553 -5.877 0.988 1.00 1.00 N ATOM 996 CA CYS A 68 70.401 -4.672 1.204 1.00 1.00 C ATOM 997 C CYS A 68 70.846 -4.621 2.671 1.00 1.00 C ATOM 998 O CYS A 68 70.031 -4.675 3.570 1.00 1.00 O ATOM 999 CB CYS A 68 69.594 -3.413 0.864 1.00 1.00 C ATOM 1000 SG CYS A 68 70.452 -2.475 -0.425 1.00 1.00 S ATOM 0 H CYS A 68 68.572 -5.692 0.781 1.00 1.00 H new ATOM 0 HA CYS A 68 71.280 -4.721 0.561 1.00 1.00 H new ATOM 0 HB2 CYS A 68 68.596 -3.689 0.524 1.00 1.00 H new ATOM 0 HB3 CYS A 68 69.469 -2.797 1.754 1.00 1.00 H new ATOM 1005 N PRO A 69 72.132 -4.523 2.928 1.00 1.00 N ATOM 1006 CA PRO A 69 72.655 -4.473 4.324 1.00 1.00 C ATOM 1007 C PRO A 69 72.035 -3.325 5.128 1.00 1.00 C ATOM 1008 O PRO A 69 72.313 -3.154 6.298 1.00 1.00 O ATOM 1009 CB PRO A 69 74.173 -4.276 4.166 1.00 1.00 C ATOM 1010 CG PRO A 69 74.391 -3.888 2.738 1.00 1.00 C ATOM 1011 CD PRO A 69 73.213 -4.445 1.936 1.00 1.00 C ATOM 0 HA PRO A 69 72.407 -5.379 4.876 1.00 1.00 H new ATOM 0 HB2 PRO A 69 74.539 -3.502 4.841 1.00 1.00 H new ATOM 0 HB3 PRO A 69 74.713 -5.191 4.409 1.00 1.00 H new ATOM 0 HG2 PRO A 69 74.447 -2.804 2.638 1.00 1.00 H new ATOM 0 HG3 PRO A 69 75.334 -4.292 2.369 1.00 1.00 H new ATOM 0 HD2 PRO A 69 72.949 -3.792 1.104 1.00 1.00 H new ATOM 0 HD3 PRO A 69 73.442 -5.423 1.513 1.00 1.00 H new ATOM 1019 N TRP A 70 71.187 -2.545 4.512 1.00 1.00 N ATOM 1020 CA TRP A 70 70.544 -1.421 5.249 1.00 1.00 C ATOM 1021 C TRP A 70 69.759 -1.998 6.428 1.00 1.00 C ATOM 1022 O TRP A 70 69.550 -1.347 7.432 1.00 1.00 O ATOM 1023 CB TRP A 70 69.594 -0.669 4.305 1.00 1.00 C ATOM 1024 CG TRP A 70 68.578 0.078 5.107 1.00 1.00 C ATOM 1025 CD1 TRP A 70 68.843 0.797 6.222 1.00 1.00 C ATOM 1026 CD2 TRP A 70 67.142 0.193 4.879 1.00 1.00 C ATOM 1027 NE1 TRP A 70 67.665 1.346 6.693 1.00 1.00 N ATOM 1028 CE2 TRP A 70 66.588 1.003 5.900 1.00 1.00 C ATOM 1029 CE3 TRP A 70 66.277 -0.320 3.897 1.00 1.00 C ATOM 1030 CZ2 TRP A 70 65.222 1.292 5.942 1.00 1.00 C ATOM 1031 CZ3 TRP A 70 64.905 -0.032 3.937 1.00 1.00 C ATOM 1032 CH2 TRP A 70 64.378 0.772 4.956 1.00 1.00 C ATOM 0 H TRP A 70 70.913 -2.638 3.534 1.00 1.00 H new ATOM 0 HA TRP A 70 71.301 -0.727 5.615 1.00 1.00 H new ATOM 0 HB2 TRP A 70 70.159 0.023 3.680 1.00 1.00 H new ATOM 0 HB3 TRP A 70 69.098 -1.372 3.636 1.00 1.00 H new ATOM 0 HD1 TRP A 70 69.817 0.922 6.671 1.00 1.00 H new ATOM 0 HE1 TRP A 70 67.599 1.933 7.525 1.00 1.00 H new ATOM 0 HE3 TRP A 70 66.672 -0.940 3.106 1.00 1.00 H new ATOM 0 HZ2 TRP A 70 64.821 1.912 6.730 1.00 1.00 H new ATOM 0 HZ3 TRP A 70 64.250 -0.433 3.177 1.00 1.00 H new ATOM 0 HH2 TRP A 70 63.321 0.990 4.980 1.00 1.00 H new ATOM 1043 N GLU A 71 69.329 -3.223 6.310 1.00 1.00 N ATOM 1044 CA GLU A 71 68.562 -3.856 7.416 1.00 1.00 C ATOM 1045 C GLU A 71 69.523 -4.238 8.545 1.00 1.00 C ATOM 1046 O GLU A 71 69.439 -3.726 9.644 1.00 1.00 O ATOM 1047 CB GLU A 71 67.860 -5.109 6.884 1.00 1.00 C ATOM 1048 CG GLU A 71 66.589 -4.703 6.136 1.00 1.00 C ATOM 1049 CD GLU A 71 65.489 -4.363 7.144 1.00 1.00 C ATOM 1050 OE1 GLU A 71 65.126 -5.238 7.912 1.00 1.00 O ATOM 1051 OE2 GLU A 71 65.028 -3.234 7.130 1.00 1.00 O ATOM 0 H GLU A 71 69.477 -3.814 5.492 1.00 1.00 H new ATOM 0 HA GLU A 71 67.818 -3.158 7.800 1.00 1.00 H new ATOM 0 HB2 GLU A 71 68.527 -5.657 6.219 1.00 1.00 H new ATOM 0 HB3 GLU A 71 67.612 -5.777 7.708 1.00 1.00 H new ATOM 0 HG2 GLU A 71 66.790 -3.843 5.497 1.00 1.00 H new ATOM 0 HG3 GLU A 71 66.262 -5.514 5.485 1.00 1.00 H new ATOM 1058 N ALA A 72 70.440 -5.131 8.283 1.00 1.00 N ATOM 1059 CA ALA A 72 71.407 -5.539 9.342 1.00 1.00 C ATOM 1060 C ALA A 72 72.478 -4.456 9.501 1.00 1.00 C ATOM 1061 O ALA A 72 73.520 -4.679 10.084 1.00 1.00 O ATOM 1062 CB ALA A 72 72.070 -6.859 8.945 1.00 1.00 C ATOM 0 H ALA A 72 70.561 -5.595 7.383 1.00 1.00 H new ATOM 0 HA ALA A 72 70.879 -5.668 10.287 1.00 1.00 H new ATOM 0 HB1 ALA A 72 72.777 -7.158 9.719 1.00 1.00 H new ATOM 0 HB2 ALA A 72 71.308 -7.630 8.833 1.00 1.00 H new ATOM 0 HB3 ALA A 72 72.598 -6.731 8.000 1.00 1.00 H new ATOM 1068 N CYS A 73 72.228 -3.284 8.984 1.00 1.00 N ATOM 1069 CA CYS A 73 73.227 -2.183 9.101 1.00 1.00 C ATOM 1070 C CYS A 73 73.169 -1.593 10.512 1.00 1.00 C ATOM 1071 O CYS A 73 74.013 -0.810 10.902 1.00 1.00 O ATOM 1072 CB CYS A 73 72.905 -1.100 8.064 1.00 1.00 C ATOM 1073 SG CYS A 73 73.376 0.523 8.712 1.00 1.00 S ATOM 0 H CYS A 73 71.373 -3.041 8.484 1.00 1.00 H new ATOM 0 HA CYS A 73 74.230 -2.569 8.918 1.00 1.00 H new ATOM 0 HB2 CYS A 73 73.440 -1.301 7.136 1.00 1.00 H new ATOM 0 HB3 CYS A 73 71.841 -1.113 7.828 1.00 1.00 H new ATOM 1078 N ASN A 74 72.181 -1.967 11.282 1.00 1.00 N ATOM 1079 CA ASN A 74 72.063 -1.434 12.672 1.00 1.00 C ATOM 1080 C ASN A 74 72.367 0.067 12.679 1.00 1.00 C ATOM 1081 O ASN A 74 73.115 0.554 13.504 1.00 1.00 O ATOM 1082 CB ASN A 74 73.050 -2.166 13.589 1.00 1.00 C ATOM 1083 CG ASN A 74 74.480 -1.752 13.237 1.00 1.00 C ATOM 1084 OD1 ASN A 74 75.008 -0.811 13.796 1.00 1.00 O ATOM 1085 ND2 ASN A 74 75.135 -2.421 12.327 1.00 1.00 N ATOM 0 H ASN A 74 71.448 -2.621 11.007 1.00 1.00 H new ATOM 0 HA ASN A 74 71.047 -1.595 13.034 1.00 1.00 H new ATOM 0 HB2 ASN A 74 72.838 -1.929 14.632 1.00 1.00 H new ATOM 0 HB3 ASN A 74 72.935 -3.244 13.478 1.00 1.00 H new ATOM 0 HD21 ASN A 74 76.089 -2.154 12.086 1.00 1.00 H new ATOM 0 HD22 ASN A 74 74.692 -3.211 11.857 1.00 1.00 H new ATOM 1092 N HIS A 75 71.793 0.802 11.767 1.00 1.00 N ATOM 1093 CA HIS A 75 72.049 2.269 11.721 1.00 1.00 C ATOM 1094 C HIS A 75 73.538 2.517 11.465 1.00 1.00 C ATOM 1095 O HIS A 75 74.388 2.066 12.207 1.00 1.00 O ATOM 1096 CB HIS A 75 71.645 2.899 13.058 1.00 1.00 C ATOM 1097 CG HIS A 75 70.425 2.201 13.592 1.00 1.00 C ATOM 1098 ND1 HIS A 75 70.275 1.167 14.485 1.00 1.00 N flip ATOM 1099 CD2 HIS A 75 69.141 2.555 13.203 1.00 1.00 C flip ATOM 1100 CE1 HIS A 75 68.922 0.887 14.645 1.00 1.00 C flip ATOM 1101 NE2 HIS A 75 68.282 1.749 13.853 1.00 1.00 N flip ATOM 0 H HIS A 75 71.157 0.450 11.051 1.00 1.00 H new ATOM 0 HA HIS A 75 71.464 2.718 10.918 1.00 1.00 H new ATOM 0 HB2 HIS A 75 72.465 2.819 13.772 1.00 1.00 H new ATOM 0 HB3 HIS A 75 71.440 3.961 12.925 1.00 1.00 H new ATOM 0 HD2 HIS A 75 68.879 3.336 12.505 1.00 1.00 H new ATOM 0 HE1 HIS A 75 68.482 0.130 15.278 1.00 1.00 H new ATOM 0 HE2 HIS A 75 67.268 1.792 13.753 1.00 1.00 H new ATOM 1110 N CYS A 76 73.861 3.229 10.420 1.00 1.00 N ATOM 1111 CA CYS A 76 75.295 3.499 10.119 1.00 1.00 C ATOM 1112 C CYS A 76 75.917 4.294 11.270 1.00 1.00 C ATOM 1113 O CYS A 76 77.121 4.329 11.433 1.00 1.00 O ATOM 1114 CB CYS A 76 75.402 4.303 8.819 1.00 1.00 C ATOM 1115 SG CYS A 76 75.185 6.064 9.177 1.00 1.00 S ATOM 0 H CYS A 76 73.195 3.635 9.763 1.00 1.00 H new ATOM 0 HA CYS A 76 75.827 2.555 10.004 1.00 1.00 H new ATOM 0 HB2 CYS A 76 76.372 4.133 8.353 1.00 1.00 H new ATOM 0 HB3 CYS A 76 74.645 3.969 8.110 1.00 1.00 H new ATOM 1120 N GLU A 77 75.107 4.932 12.070 1.00 1.00 N ATOM 1121 CA GLU A 77 75.654 5.723 13.208 1.00 1.00 C ATOM 1122 C GLU A 77 76.326 4.781 14.210 1.00 1.00 C ATOM 1123 O GLU A 77 77.406 5.047 14.699 1.00 1.00 O ATOM 1124 CB GLU A 77 74.515 6.474 13.902 1.00 1.00 C ATOM 1125 CG GLU A 77 73.951 7.536 12.956 1.00 1.00 C ATOM 1126 CD GLU A 77 74.930 8.708 12.861 1.00 1.00 C ATOM 1127 OE1 GLU A 77 75.805 8.656 12.013 1.00 1.00 O ATOM 1128 OE2 GLU A 77 74.787 9.637 13.639 1.00 1.00 O ATOM 0 H GLU A 77 74.091 4.940 11.985 1.00 1.00 H new ATOM 0 HA GLU A 77 76.387 6.438 12.833 1.00 1.00 H new ATOM 0 HB2 GLU A 77 73.729 5.776 14.192 1.00 1.00 H new ATOM 0 HB3 GLU A 77 74.879 6.943 14.816 1.00 1.00 H new ATOM 0 HG2 GLU A 77 73.785 7.107 11.968 1.00 1.00 H new ATOM 0 HG3 GLU A 77 72.984 7.885 13.319 1.00 1.00 H new ATOM 1135 N LEU A 78 75.692 3.683 14.522 1.00 1.00 N ATOM 1136 CA LEU A 78 76.291 2.724 15.495 1.00 1.00 C ATOM 1137 C LEU A 78 77.144 1.696 14.748 1.00 1.00 C ATOM 1138 O LEU A 78 77.059 1.562 13.544 1.00 1.00 O ATOM 1139 CB LEU A 78 75.174 2.006 16.252 1.00 1.00 C ATOM 1140 CG LEU A 78 74.130 3.025 16.712 1.00 1.00 C ATOM 1141 CD1 LEU A 78 73.197 2.374 17.736 1.00 1.00 C ATOM 1142 CD2 LEU A 78 74.835 4.221 17.355 1.00 1.00 C ATOM 0 H LEU A 78 74.785 3.408 14.145 1.00 1.00 H new ATOM 0 HA LEU A 78 76.919 3.269 16.200 1.00 1.00 H new ATOM 0 HB2 LEU A 78 74.709 1.258 15.611 1.00 1.00 H new ATOM 0 HB3 LEU A 78 75.585 1.477 17.112 1.00 1.00 H new ATOM 0 HG LEU A 78 73.549 3.362 15.854 1.00 1.00 H new ATOM 0 HD11 LEU A 78 72.453 3.100 18.064 1.00 1.00 H new ATOM 0 HD12 LEU A 78 72.695 1.521 17.280 1.00 1.00 H new ATOM 0 HD13 LEU A 78 73.778 2.037 18.595 1.00 1.00 H new ATOM 0 HD21 LEU A 78 74.092 4.948 17.683 1.00 1.00 H new ATOM 0 HD22 LEU A 78 75.416 3.883 18.213 1.00 1.00 H new ATOM 0 HD23 LEU A 78 75.500 4.686 16.627 1.00 1.00 H new ATOM 1154 N HIS A 79 77.965 0.968 15.456 1.00 1.00 N ATOM 1155 CA HIS A 79 78.823 -0.054 14.790 1.00 1.00 C ATOM 1156 C HIS A 79 79.111 -1.192 15.772 1.00 1.00 C ATOM 1157 O HIS A 79 80.079 -1.163 16.506 1.00 1.00 O ATOM 1158 CB HIS A 79 80.141 0.593 14.354 1.00 1.00 C ATOM 1159 CG HIS A 79 79.864 1.950 13.767 1.00 1.00 C ATOM 1160 ND1 HIS A 79 80.074 3.121 14.479 1.00 1.00 N ATOM 1161 CD2 HIS A 79 79.393 2.338 12.536 1.00 1.00 C ATOM 1162 CE1 HIS A 79 79.734 4.149 13.682 1.00 1.00 C ATOM 1163 NE2 HIS A 79 79.313 3.726 12.488 1.00 1.00 N ATOM 0 H HIS A 79 78.079 1.037 16.467 1.00 1.00 H new ATOM 0 HA HIS A 79 78.308 -0.450 13.915 1.00 1.00 H new ATOM 0 HB2 HIS A 79 80.813 0.684 15.207 1.00 1.00 H new ATOM 0 HB3 HIS A 79 80.642 -0.037 13.619 1.00 1.00 H new ATOM 0 HD2 HIS A 79 79.126 1.669 11.731 1.00 1.00 H new ATOM 0 HE1 HIS A 79 79.794 5.188 13.972 1.00 1.00 H new ATOM 0 HE2 HIS A 79 78.999 4.300 11.705 1.00 1.00 H new ATOM 1172 N GLU A 80 78.276 -2.196 15.791 1.00 1.00 N ATOM 1173 CA GLU A 80 78.496 -3.338 16.726 1.00 1.00 C ATOM 1174 C GLU A 80 78.035 -4.635 16.058 1.00 1.00 C ATOM 1175 O GLU A 80 78.757 -5.611 16.011 1.00 1.00 O ATOM 1176 CB GLU A 80 77.690 -3.110 18.007 1.00 1.00 C ATOM 1177 CG GLU A 80 78.368 -2.031 18.853 1.00 1.00 C ATOM 1178 CD GLU A 80 77.549 -1.785 20.121 1.00 1.00 C ATOM 1179 OE1 GLU A 80 77.621 -2.609 21.018 1.00 1.00 O ATOM 1180 OE2 GLU A 80 76.863 -0.778 20.174 1.00 1.00 O ATOM 0 H GLU A 80 77.450 -2.275 15.198 1.00 1.00 H new ATOM 0 HA GLU A 80 79.555 -3.410 16.972 1.00 1.00 H new ATOM 0 HB2 GLU A 80 76.673 -2.807 17.760 1.00 1.00 H new ATOM 0 HB3 GLU A 80 77.617 -4.038 18.573 1.00 1.00 H new ATOM 0 HG2 GLU A 80 79.379 -2.342 19.115 1.00 1.00 H new ATOM 0 HG3 GLU A 80 78.457 -1.108 18.280 1.00 1.00 H new ATOM 1187 N LEU A 81 76.837 -4.652 15.541 1.00 1.00 N ATOM 1188 CA LEU A 81 76.331 -5.886 14.876 1.00 1.00 C ATOM 1189 C LEU A 81 76.951 -6.005 13.482 1.00 1.00 C ATOM 1190 O LEU A 81 76.565 -6.842 12.690 1.00 1.00 O ATOM 1191 CB LEU A 81 74.807 -5.812 14.753 1.00 1.00 C ATOM 1192 CG LEU A 81 74.213 -5.291 16.063 1.00 1.00 C ATOM 1193 CD1 LEU A 81 72.686 -5.358 15.994 1.00 1.00 C ATOM 1194 CD2 LEU A 81 74.709 -6.154 17.225 1.00 1.00 C ATOM 0 H LEU A 81 76.187 -3.866 15.550 1.00 1.00 H new ATOM 0 HA LEU A 81 76.605 -6.757 15.471 1.00 1.00 H new ATOM 0 HB2 LEU A 81 74.530 -5.155 13.929 1.00 1.00 H new ATOM 0 HB3 LEU A 81 74.402 -6.798 14.524 1.00 1.00 H new ATOM 0 HG LEU A 81 74.524 -4.258 16.218 1.00 1.00 H new ATOM 0 HD11 LEU A 81 72.263 -4.987 16.927 1.00 1.00 H new ATOM 0 HD12 LEU A 81 72.332 -4.744 15.166 1.00 1.00 H new ATOM 0 HD13 LEU A 81 72.374 -6.391 15.840 1.00 1.00 H new ATOM 0 HD21 LEU A 81 74.287 -5.784 18.159 1.00 1.00 H new ATOM 0 HD22 LEU A 81 74.397 -7.187 17.070 1.00 1.00 H new ATOM 0 HD23 LEU A 81 75.797 -6.107 17.275 1.00 1.00 H new ATOM 1206 N ALA A 82 77.909 -5.174 13.175 1.00 1.00 N ATOM 1207 CA ALA A 82 78.554 -5.241 11.833 1.00 1.00 C ATOM 1208 C ALA A 82 78.935 -6.690 11.524 1.00 1.00 C ATOM 1209 O ALA A 82 79.062 -7.078 10.380 1.00 1.00 O ATOM 1210 CB ALA A 82 79.813 -4.372 11.828 1.00 1.00 C ATOM 0 H ALA A 82 78.273 -4.451 13.796 1.00 1.00 H new ATOM 0 HA ALA A 82 77.858 -4.877 11.077 1.00 1.00 H new ATOM 0 HB1 ALA A 82 80.285 -4.421 10.847 1.00 1.00 H new ATOM 0 HB2 ALA A 82 79.543 -3.339 12.050 1.00 1.00 H new ATOM 0 HB3 ALA A 82 80.509 -4.736 12.584 1.00 1.00 H new ATOM 1216 N GLN A 83 79.120 -7.493 12.537 1.00 1.00 N ATOM 1217 CA GLN A 83 79.494 -8.916 12.302 1.00 1.00 C ATOM 1218 C GLN A 83 78.226 -9.747 12.079 1.00 1.00 C ATOM 1219 O GLN A 83 78.109 -10.858 12.557 1.00 1.00 O ATOM 1220 CB GLN A 83 80.249 -9.449 13.525 1.00 1.00 C ATOM 1221 CG GLN A 83 81.081 -10.668 13.122 1.00 1.00 C ATOM 1222 CD GLN A 83 81.894 -11.152 14.324 1.00 1.00 C ATOM 1223 OE1 GLN A 83 82.556 -10.372 14.979 1.00 1.00 O ATOM 1224 NE2 GLN A 83 81.871 -12.417 14.644 1.00 1.00 N ATOM 0 H GLN A 83 79.028 -7.224 13.517 1.00 1.00 H new ATOM 0 HA GLN A 83 80.132 -8.987 11.421 1.00 1.00 H new ATOM 0 HB2 GLN A 83 80.896 -8.673 13.932 1.00 1.00 H new ATOM 0 HB3 GLN A 83 79.544 -9.721 14.311 1.00 1.00 H new ATOM 0 HG2 GLN A 83 80.428 -11.465 12.766 1.00 1.00 H new ATOM 0 HG3 GLN A 83 81.747 -10.410 12.299 1.00 1.00 H new ATOM 0 HE21 GLN A 83 81.315 -13.072 14.094 1.00 1.00 H new ATOM 0 HE22 GLN A 83 82.409 -12.751 15.444 1.00 1.00 H new ATOM 1233 N TYR A 84 77.274 -9.217 11.357 1.00 1.00 N ATOM 1234 CA TYR A 84 76.017 -9.978 11.108 1.00 1.00 C ATOM 1235 C TYR A 84 76.274 -11.069 10.063 1.00 1.00 C ATOM 1236 O TYR A 84 76.020 -12.235 10.295 1.00 1.00 O ATOM 1237 CB TYR A 84 74.932 -9.022 10.599 1.00 1.00 C ATOM 1238 CG TYR A 84 75.266 -8.580 9.194 1.00 1.00 C ATOM 1239 CD1 TYR A 84 76.228 -7.585 8.984 1.00 1.00 C ATOM 1240 CD2 TYR A 84 74.613 -9.165 8.103 1.00 1.00 C ATOM 1241 CE1 TYR A 84 76.538 -7.176 7.681 1.00 1.00 C ATOM 1242 CE2 TYR A 84 74.923 -8.755 6.800 1.00 1.00 C ATOM 1243 CZ TYR A 84 75.885 -7.760 6.590 1.00 1.00 C ATOM 1244 OH TYR A 84 76.190 -7.357 5.306 1.00 1.00 O ATOM 0 H TYR A 84 77.313 -8.291 10.930 1.00 1.00 H new ATOM 0 HA TYR A 84 75.684 -10.441 12.037 1.00 1.00 H new ATOM 0 HB2 TYR A 84 73.961 -9.517 10.614 1.00 1.00 H new ATOM 0 HB3 TYR A 84 74.859 -8.155 11.256 1.00 1.00 H new ATOM 0 HD1 TYR A 84 76.731 -7.133 9.826 1.00 1.00 H new ATOM 0 HD2 TYR A 84 73.870 -9.932 8.266 1.00 1.00 H new ATOM 0 HE1 TYR A 84 77.281 -6.410 7.518 1.00 1.00 H new ATOM 0 HE2 TYR A 84 74.420 -9.206 5.958 1.00 1.00 H new ATOM 0 HH TYR A 84 76.810 -7.998 4.900 1.00 1.00 H new ATOM 1254 N GLY A 85 76.776 -10.701 8.915 1.00 1.00 N ATOM 1255 CA GLY A 85 77.046 -11.720 7.860 1.00 1.00 C ATOM 1256 C GLY A 85 78.018 -11.149 6.826 1.00 1.00 C ATOM 1257 O GLY A 85 78.103 -11.631 5.716 1.00 1.00 O ATOM 0 H GLY A 85 77.010 -9.741 8.662 1.00 1.00 H new ATOM 0 HA2 GLY A 85 77.466 -12.620 8.309 1.00 1.00 H new ATOM 0 HA3 GLY A 85 76.114 -12.011 7.375 1.00 1.00 H new ATOM 1261 N ILE A 86 78.749 -10.124 7.190 1.00 1.00 N ATOM 1262 CA ILE A 86 79.729 -9.499 6.246 1.00 1.00 C ATOM 1263 C ILE A 86 79.181 -9.533 4.811 1.00 1.00 C ATOM 1264 O ILE A 86 77.988 -9.630 4.596 1.00 1.00 O ATOM 1265 CB ILE A 86 81.082 -10.236 6.354 1.00 1.00 C ATOM 1266 CG1 ILE A 86 82.221 -9.249 6.090 1.00 1.00 C ATOM 1267 CG2 ILE A 86 81.135 -11.362 5.320 1.00 1.00 C ATOM 1268 CD1 ILE A 86 83.558 -9.991 6.119 1.00 1.00 C ATOM 0 H ILE A 86 78.708 -9.688 8.111 1.00 1.00 H new ATOM 0 HA ILE A 86 79.883 -8.453 6.512 1.00 1.00 H new ATOM 0 HB ILE A 86 81.188 -10.656 7.354 1.00 1.00 H new ATOM 0 HG12 ILE A 86 82.082 -8.767 5.122 1.00 1.00 H new ATOM 0 HG13 ILE A 86 82.215 -8.460 6.842 1.00 1.00 H new ATOM 0 HG21 ILE A 86 82.090 -11.882 5.397 1.00 1.00 H new ATOM 0 HG22 ILE A 86 80.323 -12.065 5.506 1.00 1.00 H new ATOM 0 HG23 ILE A 86 81.030 -10.942 4.320 1.00 1.00 H new ATOM 0 HD11 ILE A 86 84.369 -9.287 5.931 1.00 1.00 H new ATOM 0 HD12 ILE A 86 83.697 -10.452 7.097 1.00 1.00 H new ATOM 0 HD13 ILE A 86 83.562 -10.763 5.350 1.00 1.00 H new ATOM 1280 N CYS A 87 80.035 -9.440 3.830 1.00 1.00 N ATOM 1281 CA CYS A 87 79.553 -9.455 2.420 1.00 1.00 C ATOM 1282 C CYS A 87 79.049 -10.856 2.067 1.00 1.00 C ATOM 1283 CB CYS A 87 80.703 -9.070 1.484 1.00 1.00 C ATOM 1284 SG CYS A 87 81.898 -8.052 2.384 1.00 1.00 S ATOM 0 H CYS A 87 81.045 -9.354 3.943 1.00 1.00 H new ATOM 0 HA CYS A 87 78.739 -8.740 2.306 1.00 1.00 H new ATOM 0 HB2 CYS A 87 81.189 -9.967 1.100 1.00 1.00 H new ATOM 0 HB3 CYS A 87 80.318 -8.523 0.623 1.00 1.00 H new TER 1289 CYS A 87 HETATM 1290 C1C RCY A 110 56.664 -11.552 4.096 1.00 1.00 C HETATM 1291 O1G RCY A 110 51.776 -9.704 3.963 1.00 1.00 O HETATM 1292 O1H RCY A 110 56.173 -8.300 4.960 1.00 1.00 O HETATM 1293 O1J RCY A 110 57.443 -12.228 1.267 1.00 1.00 O HETATM 1294 C1L RCY A 110 52.702 -8.120 5.582 1.00 1.00 C HETATM 1295 C1M RCY A 110 54.485 -9.819 1.658 1.00 1.00 C HETATM 1296 C1P RCY A 110 52.764 -9.174 4.469 1.00 1.00 C HETATM 1297 C1Q RCY A 110 55.000 -8.654 5.067 1.00 1.00 C HETATM 1298 N1R RCY A 110 54.205 -9.484 4.067 1.00 1.00 N HETATM 1299 C1S RCY A 110 54.074 -8.340 6.228 1.00 1.00 C HETATM 1300 C1U RCY A 110 54.727 -10.391 2.952 1.00 1.00 C HETATM 1301 C1V RCY A 110 56.974 -9.236 3.112 1.00 1.00 C HETATM 1302 N1V RCY A 110 56.482 -11.190 1.625 1.00 1.00 N HETATM 1303 C1W RCY A 110 55.491 -10.478 0.705 1.00 1.00 C HETATM 1304 C1X RCY A 110 56.243 -10.575 2.997 1.00 1.00 C HETATM 1305 C1Y RCY A 110 56.207 -9.420 -0.138 1.00 1.00 C HETATM 1306 C1Z RCY A 110 54.810 -11.512 -0.192 1.00 1.00 C HETATM 0 H1ZB RCY A 110 54.358 -12.288 0.426 1.00 1.00 H new HETATM 0 H1ZA RCY A 110 54.037 -11.025 -0.786 1.00 1.00 H new HETATM 0 H1YB RCY A 110 55.475 -8.866 -0.726 1.00 1.00 H new HETATM 0 H1YA RCY A 110 56.741 -8.732 0.518 1.00 1.00 H new HETATM 0 H1VB RCY A 110 56.750 -8.781 4.077 1.00 1.00 H new HETATM 0 H1VA RCY A 110 58.048 -9.400 3.029 1.00 1.00 H new HETATM 0 H1MA RCY A 110 53.461 -10.007 1.334 1.00 1.00 H new HETATM 0 H1LA RCY A 110 52.581 -7.109 5.193 1.00 1.00 H new HETATM 0 H1CB RCY A 110 56.337 -11.174 5.064 1.00 1.00 H new HETATM 0 H1CA RCY A 110 56.207 -12.524 3.913 1.00 1.00 H new HETATM 0 H1Z RCY A 110 55.549 -11.961 -0.856 1.00 1.00 H new HETATM 0 H1Y RCY A 110 56.916 -9.907 -0.807 1.00 1.00 H new HETATM 0 H1V RCY A 110 56.645 -8.572 2.312 1.00 1.00 H new HETATM 0 H1U RCY A 110 54.204 -11.335 3.107 1.00 1.00 H new HETATM 0 H1S RCY A 110 54.047 -9.160 6.946 1.00 1.00 H new HETATM 0 H1M RCY A 110 54.619 -8.737 1.679 1.00 1.00 H new HETATM 0 H1L RCY A 110 51.881 -8.295 6.277 1.00 1.00 H new HETATM 0 H1C RCY A 110 57.749 -11.655 4.095 1.00 1.00 H new HETATM 1309 C1C RCY A 121 68.441 10.203 0.970 1.00 1.00 C HETATM 1310 O1G RCY A 121 71.432 13.173 1.603 1.00 1.00 O HETATM 1311 O1H RCY A 121 66.748 13.336 1.025 1.00 1.00 O HETATM 1312 O1J RCY A 121 65.777 11.065 -0.137 1.00 1.00 O HETATM 1313 C1L RCY A 121 69.626 14.244 2.859 1.00 1.00 C HETATM 1314 C1M RCY A 121 68.857 12.733 -1.699 1.00 1.00 C HETATM 1315 C1P RCY A 121 70.234 13.428 1.711 1.00 1.00 C HETATM 1316 C1Q RCY A 121 67.914 13.647 1.264 1.00 1.00 C HETATM 1317 N1R RCY A 121 69.166 12.971 0.719 1.00 1.00 N HETATM 1318 C1S RCY A 121 68.371 14.782 2.162 1.00 1.00 C HETATM 1319 C1U RCY A 121 69.305 12.068 -0.508 1.00 1.00 C HETATM 1320 C1V RCY A 121 68.793 9.799 -1.508 1.00 1.00 C HETATM 1321 N1V RCY A 121 67.063 11.431 -0.723 1.00 1.00 N HETATM 1322 C1W RCY A 121 67.341 12.512 -1.766 1.00 1.00 C HETATM 1323 C1X RCY A 121 68.427 10.821 -0.430 1.00 1.00 C HETATM 1324 C1Y RCY A 121 66.928 12.030 -3.159 1.00 1.00 C HETATM 1325 C1Z RCY A 121 66.577 13.781 -1.387 1.00 1.00 C HETATM 0 H1ZB RCY A 121 66.840 14.074 -0.371 1.00 1.00 H new HETATM 0 H1ZA RCY A 121 66.841 14.584 -2.076 1.00 1.00 H new HETATM 0 H1VB RCY A 121 69.793 9.411 -1.316 1.00 1.00 H new HETATM 0 H1VA RCY A 121 68.076 8.979 -1.490 1.00 1.00 H new HETATM 0 H1MA RCY A 121 69.094 13.796 -1.664 1.00 1.00 H new HETATM 0 H1LA RCY A 121 69.390 13.630 3.728 1.00 1.00 H new HETATM 0 H1CB RCY A 121 69.460 9.920 1.233 1.00 1.00 H new HETATM 0 H1CA RCY A 121 68.068 10.929 1.692 1.00 1.00 H new HETATM 0 H1Z RCY A 121 65.505 13.591 -1.444 1.00 1.00 H new HETATM 0 H1V RCY A 121 68.771 10.279 -2.487 1.00 1.00 H new HETATM 0 H1U RCY A 121 70.364 11.811 -0.534 1.00 1.00 H new HETATM 0 H1S RCY A 121 68.592 15.680 1.585 1.00 1.00 H new HETATM 0 H1M RCY A 121 69.350 12.325 -2.582 1.00 1.00 H new HETATM 0 H1L RCY A 121 70.287 15.040 3.201 1.00 1.00 H new HETATM 0 H1C RCY A 121 67.804 9.318 0.984 1.00 1.00 H new HETATM 1328 C1C RCY A 130 82.197 9.593 -7.280 1.00 1.00 C HETATM 1329 O1G RCY A 130 80.996 10.976 -4.837 1.00 1.00 O HETATM 1330 O1H RCY A 130 85.133 9.792 -2.891 1.00 1.00 O HETATM 1331 O1J RCY A 130 81.926 6.695 -8.053 1.00 1.00 O HETATM 1332 C1L RCY A 130 82.369 11.982 -3.079 1.00 1.00 C HETATM 1333 C1M RCY A 130 82.984 7.369 -4.429 1.00 1.00 C HETATM 1334 C1P RCY A 130 82.001 10.926 -4.129 1.00 1.00 C HETATM 1335 C1Q RCY A 130 83.976 10.180 -3.046 1.00 1.00 C HETATM 1336 N1R RCY A 130 83.037 9.805 -4.186 1.00 1.00 N HETATM 1337 C1S RCY A 130 83.218 11.126 -2.133 1.00 1.00 C HETATM 1338 C1U RCY A 130 83.120 8.609 -5.137 1.00 1.00 C HETATM 1339 C1V RCY A 130 80.616 8.758 -5.483 1.00 1.00 C HETATM 1340 N1V RCY A 130 82.126 7.161 -6.684 1.00 1.00 N HETATM 1341 C1W RCY A 130 82.528 6.333 -5.465 1.00 1.00 C HETATM 1342 C1X RCY A 130 81.980 8.580 -6.154 1.00 1.00 C HETATM 1343 C1Y RCY A 130 81.331 5.537 -4.940 1.00 1.00 C HETATM 1344 C1Z RCY A 130 83.672 5.395 -5.852 1.00 1.00 C HETATM 0 H1ZB RCY A 130 84.490 5.975 -6.279 1.00 1.00 H new HETATM 0 H1ZA RCY A 130 84.025 4.867 -4.966 1.00 1.00 H new HETATM 0 H1YB RCY A 130 81.612 5.019 -4.023 1.00 1.00 H new HETATM 0 H1YA RCY A 130 80.504 6.217 -4.733 1.00 1.00 H new HETATM 0 H1VB RCY A 130 80.547 9.760 -5.059 1.00 1.00 H new HETATM 0 H1VA RCY A 130 79.826 8.622 -6.222 1.00 1.00 H new HETATM 0 H1MA RCY A 130 83.930 7.075 -3.974 1.00 1.00 H new HETATM 0 H1LA RCY A 130 82.929 12.815 -3.504 1.00 1.00 H new HETATM 0 H1CB RCY A 130 82.255 10.597 -6.860 1.00 1.00 H new HETATM 0 H1CA RCY A 130 83.126 9.364 -7.802 1.00 1.00 H new HETATM 0 H1Z RCY A 130 83.317 4.673 -6.587 1.00 1.00 H new HETATM 0 H1Y RCY A 130 81.022 4.808 -5.689 1.00 1.00 H new HETATM 0 H1V RCY A 130 80.502 8.020 -4.689 1.00 1.00 H new HETATM 0 H1U RCY A 130 84.089 8.719 -5.624 1.00 1.00 H new HETATM 0 H1S RCY A 130 82.594 10.579 -1.426 1.00 1.00 H new HETATM 0 H1M RCY A 130 82.257 7.459 -3.622 1.00 1.00 H new HETATM 0 H1L RCY A 130 81.493 12.404 -2.587 1.00 1.00 H new HETATM 0 H1C RCY A 130 81.365 9.541 -7.982 1.00 1.00 H new HETATM 1347 C1C RCY A 138 82.783 1.063 1.509 1.00 1.00 C HETATM 1348 O1G RCY A 138 83.710 2.168 2.926 1.00 1.00 O HETATM 1349 O1H RCY A 138 87.970 1.991 0.897 1.00 1.00 O HETATM 1350 O1J RCY A 138 82.398 3.747 0.199 1.00 1.00 O HETATM 1351 C1L RCY A 138 85.939 2.872 3.648 1.00 1.00 C HETATM 1352 C1M RCY A 138 85.413 1.711 -1.012 1.00 1.00 C HETATM 1353 C1P RCY A 138 84.916 2.237 2.697 1.00 1.00 C HETATM 1354 C1Q RCY A 138 87.059 1.942 1.721 1.00 1.00 C HETATM 1355 N1R RCY A 138 85.583 1.700 1.431 1.00 1.00 N HETATM 1356 C1S RCY A 138 87.200 2.111 3.223 1.00 1.00 C HETATM 1357 C1U RCY A 138 84.943 1.080 0.188 1.00 1.00 C HETATM 1358 C1V RCY A 138 82.777 0.410 -0.940 1.00 1.00 C HETATM 1359 N1V RCY A 138 83.360 2.747 -0.253 1.00 1.00 N HETATM 1360 C1W RCY A 138 84.523 2.941 -1.224 1.00 1.00 C HETATM 1361 C1X RCY A 138 83.429 1.277 0.139 1.00 1.00 C HETATM 1362 C1Y RCY A 138 84.012 2.994 -2.667 1.00 1.00 C HETATM 1363 C1Z RCY A 138 85.263 4.231 -0.868 1.00 1.00 C HETATM 0 H1ZB RCY A 138 85.567 4.199 0.178 1.00 1.00 H new HETATM 0 H1ZA RCY A 138 86.146 4.330 -1.499 1.00 1.00 H new HETATM 0 H1YB RCY A 138 84.859 3.049 -3.351 1.00 1.00 H new HETATM 0 H1YA RCY A 138 83.431 2.097 -2.880 1.00 1.00 H new HETATM 0 H1VB RCY A 138 82.881 -0.642 -0.674 1.00 1.00 H new HETATM 0 H1VA RCY A 138 81.719 0.661 -1.018 1.00 1.00 H new HETATM 0 H1MA RCY A 138 86.460 2.000 -0.916 1.00 1.00 H new HETATM 0 H1LA RCY A 138 86.032 3.948 3.503 1.00 1.00 H new HETATM 0 H1CB RCY A 138 82.985 0.048 1.852 1.00 1.00 H new HETATM 0 H1CA RCY A 138 83.197 1.776 2.222 1.00 1.00 H new HETATM 0 H1Z RCY A 138 84.605 5.085 -1.029 1.00 1.00 H new HETATM 0 H1Y RCY A 138 83.382 3.874 -2.798 1.00 1.00 H new HETATM 0 H1V RCY A 138 83.265 0.592 -1.897 1.00 1.00 H new HETATM 0 H1U RCY A 138 85.209 0.025 0.248 1.00 1.00 H new HETATM 0 H1S RCY A 138 87.269 1.146 3.726 1.00 1.00 H new HETATM 0 H1M RCY A 138 85.346 1.031 -1.861 1.00 1.00 H new HETATM 0 H1L RCY A 138 85.689 2.713 4.697 1.00 1.00 H new HETATM 0 H1C RCY A 138 81.706 1.212 1.431 1.00 1.00 H new HETATM 1366 C1C RCY A 150 76.441 -5.084 -1.079 1.00 1.00 C HETATM 1367 O1G RCY A 150 78.703 -2.625 -5.012 1.00 1.00 O HETATM 1368 O1H RCY A 150 77.083 -6.426 -2.726 1.00 1.00 O HETATM 1369 O1J RCY A 150 78.881 -6.626 -0.220 1.00 1.00 O HETATM 1370 C1L RCY A 150 77.966 -4.837 -5.753 1.00 1.00 C HETATM 1371 C1M RCY A 150 79.532 -3.139 -1.676 1.00 1.00 C HETATM 1372 C1P RCY A 150 78.296 -3.749 -4.724 1.00 1.00 C HETATM 1373 C1Q RCY A 150 77.681 -5.695 -3.514 1.00 1.00 C HETATM 1374 N1R RCY A 150 78.058 -4.236 -3.295 1.00 1.00 N HETATM 1375 C1S RCY A 150 78.182 -6.087 -4.893 1.00 1.00 C HETATM 1376 C1U RCY A 150 78.167 -3.465 -1.978 1.00 1.00 C HETATM 1377 C1V RCY A 150 77.547 -3.415 0.476 1.00 1.00 C HETATM 1378 N1V RCY A 150 78.898 -5.220 -0.613 1.00 1.00 N HETATM 1379 C1W RCY A 150 80.114 -4.361 -0.956 1.00 1.00 C HETATM 1380 C1X RCY A 150 77.708 -4.284 -0.773 1.00 1.00 C HETATM 1381 C1Y RCY A 150 80.846 -3.937 0.320 1.00 1.00 C HETATM 1382 C1Z RCY A 150 81.045 -5.155 -1.872 1.00 1.00 C HETATM 0 H1ZB RCY A 150 80.490 -5.499 -2.745 1.00 1.00 H new HETATM 0 H1ZA RCY A 150 81.869 -4.518 -2.194 1.00 1.00 H new HETATM 0 H1YB RCY A 150 81.659 -3.258 0.064 1.00 1.00 H new HETATM 0 H1MA RCY A 150 80.091 -2.921 -2.586 1.00 1.00 H new HETATM 0 H1LA RCY A 150 76.946 -4.760 -6.129 1.00 1.00 H new HETATM 0 H1CB RCY A 150 75.637 -4.401 -1.354 1.00 1.00 H new HETATM 0 H1CA RCY A 150 76.634 -5.769 -1.905 1.00 1.00 H new HETATM 0 H1Z RCY A 150 81.441 -6.015 -1.331 1.00 1.00 H new HETATM 0 H1Y RCY A 150 81.252 -4.818 0.817 1.00 1.00 H new HETATM 0 H1U RCY A 150 77.541 -2.586 -2.128 1.00 1.00 H new HETATM 0 H1S RCY A 150 79.234 -6.373 -4.866 1.00 1.00 H new HETATM 0 H1M RCY A 150 79.590 -2.252 -1.046 1.00 1.00 H new HETATM 0 H1L RCY A 150 78.628 -4.807 -6.619 1.00 1.00 H new HETATM 0 H1C RCY A 150 76.148 -5.653 -0.197 1.00 1.00 H new HETATM 1385 C1C RCY A 160 69.314 2.814 -6.294 1.00 1.00 C HETATM 1386 O1G RCY A 160 73.869 4.387 -4.998 1.00 1.00 O HETATM 1387 O1H RCY A 160 73.035 3.077 -3.294 1.00 1.00 O HETATM 1388 O1J RCY A 160 67.561 1.845 -4.045 1.00 1.00 O HETATM 1389 C1L RCY A 160 72.643 2.330 -4.264 1.00 1.00 C HETATM 1390 C1M RCY A 160 71.341 1.525 -3.479 1.00 1.00 C HETATM 1391 C1P RCY A 160 73.638 3.196 -5.057 1.00 1.00 C HETATM 1392 C1Q RCY A 160 73.403 3.121 -4.467 1.00 1.00 C HETATM 1393 N1R RCY A 160 72.401 2.457 -5.480 1.00 1.00 N HETATM 1394 C1S RCY A 160 72.876 2.672 -5.767 1.00 1.00 C HETATM 1395 C1U RCY A 160 71.154 1.812 -4.873 1.00 1.00 C HETATM 1396 C1V RCY A 160 70.264 4.122 -4.341 1.00 1.00 C HETATM 1397 N1V RCY A 160 69.011 1.989 -3.949 1.00 1.00 N HETATM 1398 C1W RCY A 160 69.936 1.426 -2.872 1.00 1.00 C HETATM 1399 C1X RCY A 160 69.937 2.735 -4.899 1.00 1.00 C HETATM 1400 C1Y RCY A 160 69.842 2.263 -1.593 1.00 1.00 C HETATM 1401 C1Z RCY A 160 69.552 -0.028 -2.593 1.00 1.00 C HETATM 0 H1ZB RCY A 160 69.567 -0.594 -3.525 1.00 1.00 H new HETATM 0 H1YB RCY A 160 70.567 1.899 -0.866 1.00 1.00 H new HETATM 0 H1VB RCY A 160 70.971 4.623 -5.002 1.00 1.00 H new HETATM 0 H1VA RCY A 160 69.350 4.712 -4.273 1.00 1.00 H new HETATM 0 H1CB RCY A 160 70.050 3.199 -7.000 1.00 1.00 H new HETATM 0 H1CA RCY A 160 68.996 1.820 -6.607 1.00 1.00 H new HETATM 0 H1Z RCY A 160 68.551 -0.064 -2.163 1.00 1.00 H new HETATM 0 H1Y RCY A 160 68.838 2.180 -1.177 1.00 1.00 H new HETATM 0 H1V RCY A 160 70.704 4.021 -3.349 1.00 1.00 H new HETATM 0 H1U RCY A 160 70.993 0.918 -5.476 1.00 1.00 H new HETATM 0 H1S RCY A 160 72.178 3.254 -6.368 1.00 1.00 H new HETATM 0 H1C RCY A 160 68.452 3.480 -6.270 1.00 1.00 H new HETATM 1404 C1C RCY A 168 70.202 2.958 -2.415 1.00 1.00 C HETATM 1405 O1G RCY A 168 71.874 1.481 2.529 1.00 1.00 O HETATM 1406 O1H RCY A 168 70.993 0.085 -1.895 1.00 1.00 O HETATM 1407 O1J RCY A 168 71.876 5.388 -3.015 1.00 1.00 O HETATM 1408 C1L RCY A 168 71.327 -0.687 1.534 1.00 1.00 C HETATM 1409 C1M RCY A 168 72.972 3.308 0.014 1.00 1.00 C HETATM 1410 C1P RCY A 168 71.578 0.827 1.531 1.00 1.00 C HETATM 1411 C1Q RCY A 168 70.946 0.215 -0.673 1.00 1.00 C HETATM 1412 N1R RCY A 168 71.416 1.420 0.132 1.00 1.00 N HETATM 1413 C1S RCY A 168 70.406 -0.802 0.315 1.00 1.00 C HETATM 1414 C1U RCY A 168 71.660 2.852 -0.347 1.00 1.00 C HETATM 1415 C1V RCY A 168 72.517 1.932 -2.545 1.00 1.00 C HETATM 1416 N1V RCY A 168 72.237 4.368 -2.035 1.00 1.00 N HETATM 1417 C1W RCY A 168 73.306 4.454 -0.948 1.00 1.00 C HETATM 1418 C1X RCY A 168 71.632 2.981 -1.869 1.00 1.00 C HETATM 1419 C1Y RCY A 168 74.700 4.262 -1.551 1.00 1.00 C HETATM 1420 C1Z RCY A 168 73.204 5.811 -0.251 1.00 1.00 C HETATM 0 H1ZB RCY A 168 72.189 5.954 0.120 1.00 1.00 H new HETATM 0 H1ZA RCY A 168 73.903 5.845 0.584 1.00 1.00 H new HETATM 0 H1YB RCY A 168 75.442 4.243 -0.753 1.00 1.00 H new HETATM 0 H1YA RCY A 168 74.733 3.320 -2.099 1.00 1.00 H new HETATM 0 H1MA RCY A 168 72.994 3.649 1.049 1.00 1.00 H new HETATM 0 H1LA RCY A 168 72.245 -1.263 1.419 1.00 1.00 H new HETATM 0 H1Z RCY A 168 73.447 6.603 -0.959 1.00 1.00 H new HETATM 0 H1Y RCY A 168 74.919 5.085 -2.231 1.00 1.00 H new HETATM 0 H1V RCY A 168 73.523 1.982 -2.129 1.00 1.00 H new HETATM 0 H1S RCY A 168 69.371 -0.586 0.579 1.00 1.00 H new HETATM 0 H1M RCY A 168 73.701 2.503 -0.072 1.00 1.00 H new HETATM 0 H1L RCY A 168 70.849 -1.029 2.452 1.00 1.00 H new HETATM 1423 C1C RCY A 173 72.138 3.622 3.459 1.00 1.00 C HETATM 1424 O1G RCY A 173 75.133 2.708 4.407 1.00 1.00 O HETATM 1425 O1H RCY A 173 71.912 -0.240 6.205 1.00 1.00 O HETATM 1426 O1J RCY A 173 74.822 3.771 2.102 1.00 1.00 O HETATM 1427 C1L RCY A 173 74.755 1.807 6.650 1.00 1.00 C HETATM 1428 C1M RCY A 173 73.346 0.255 2.514 1.00 1.00 C HETATM 1429 C1P RCY A 173 74.448 2.020 5.162 1.00 1.00 C HETATM 1430 C1Q RCY A 173 72.693 0.699 6.058 1.00 1.00 C HETATM 1431 N1R RCY A 173 73.186 1.273 4.735 1.00 1.00 N HETATM 1432 C1S RCY A 173 73.345 1.503 7.168 1.00 1.00 C HETATM 1433 C1U RCY A 173 72.568 1.130 3.343 1.00 1.00 C HETATM 1434 C1V RCY A 173 71.668 2.352 1.316 1.00 1.00 C HETATM 1435 N1V RCY A 173 74.010 2.560 2.179 1.00 1.00 N HETATM 1436 C1W RCY A 173 74.444 1.124 1.887 1.00 1.00 C HETATM 1437 C1X RCY A 173 72.543 2.446 2.568 1.00 1.00 C HETATM 1438 C1Y RCY A 173 74.523 0.886 0.377 1.00 1.00 C HETATM 1439 C1Z RCY A 173 75.799 0.867 2.545 1.00 1.00 C HETATM 0 H1ZB RCY A 173 75.737 1.100 3.608 1.00 1.00 H new HETATM 0 H1ZA RCY A 173 76.072 -0.181 2.419 1.00 1.00 H new HETATM 0 H1YB RCY A 173 74.750 -0.163 0.185 1.00 1.00 H new HETATM 0 H1YA RCY A 173 73.567 1.140 -0.082 1.00 1.00 H new HETATM 0 H1MA RCY A 173 73.778 -0.555 3.101 1.00 1.00 H new HETATM 0 H1LA RCY A 173 75.448 0.983 6.819 1.00 1.00 H new HETATM 0 H1Z RCY A 173 76.556 1.498 2.078 1.00 1.00 H new HETATM 0 H1Y RCY A 173 75.307 1.511 -0.049 1.00 1.00 H new HETATM 0 H1S RCY A 173 72.791 2.420 7.371 1.00 1.00 H new HETATM 0 H1M RCY A 173 72.726 -0.205 1.744 1.00 1.00 H new HETATM 0 H1L RCY A 173 75.190 2.691 7.117 1.00 1.00 H new HETATM 1442 C1C RCY A 176 72.416 2.412 5.560 1.00 1.00 C HETATM 1443 O1G RCY A 176 73.004 7.659 4.806 1.00 1.00 O HETATM 1444 O1H RCY A 176 73.389 4.063 7.842 1.00 1.00 O HETATM 1445 O1J RCY A 176 70.664 1.892 3.167 1.00 1.00 O HETATM 1446 C1L RCY A 176 74.367 7.294 6.806 1.00 1.00 C HETATM 1447 C1M RCY A 176 71.162 5.576 4.108 1.00 1.00 C HETATM 1448 C1P RCY A 176 73.305 6.939 5.757 1.00 1.00 C HETATM 1449 C1Q RCY A 176 73.314 5.193 7.364 1.00 1.00 C HETATM 1450 N1R RCY A 176 72.667 5.579 6.039 1.00 1.00 N HETATM 1451 C1S RCY A 176 73.852 6.467 7.989 1.00 1.00 C HETATM 1452 C1U RCY A 176 71.644 4.798 5.213 1.00 1.00 C HETATM 1453 C1V RCY A 176 73.538 3.868 3.814 1.00 1.00 C HETATM 1454 N1V RCY A 176 71.132 3.216 3.566 1.00 1.00 N HETATM 1455 C1W RCY A 176 70.621 4.572 3.082 1.00 1.00 C HETATM 1456 C1X RCY A 176 72.238 3.553 4.557 1.00 1.00 C HETATM 1457 C1Y RCY A 176 71.166 4.883 1.686 1.00 1.00 C HETATM 1458 C1Z RCY A 176 69.093 4.557 3.073 1.00 1.00 C HETATM 0 H1ZB RCY A 176 68.726 4.276 4.060 1.00 1.00 H new HETATM 0 H1ZA RCY A 176 68.721 5.549 2.817 1.00 1.00 H new HETATM 0 H1YB RCY A 176 70.861 5.887 1.392 1.00 1.00 H new HETATM 0 H1YA RCY A 176 72.254 4.823 1.699 1.00 1.00 H new HETATM 0 H1VB RCY A 176 74.305 4.161 4.531 1.00 1.00 H new HETATM 0 H1VA RCY A 176 73.869 2.984 3.269 1.00 1.00 H new HETATM 0 H1MA RCY A 176 70.380 6.265 4.428 1.00 1.00 H new HETATM 0 H1LA RCY A 176 75.371 7.003 6.499 1.00 1.00 H new HETATM 0 H1CB RCY A 176 73.086 2.731 6.358 1.00 1.00 H new HETATM 0 H1CA RCY A 176 71.448 2.146 5.984 1.00 1.00 H new HETATM 0 H1Z RCY A 176 68.741 3.836 2.336 1.00 1.00 H new HETATM 0 H1Y RCY A 176 70.771 4.160 0.972 1.00 1.00 H new HETATM 0 H1U RCY A 176 70.862 4.540 5.927 1.00 1.00 H new HETATM 0 H1S RCY A 176 73.073 6.999 8.535 1.00 1.00 H new HETATM 0 H1M RCY A 176 71.962 6.179 3.678 1.00 1.00 H new HETATM 0 H1L RCY A 176 74.398 8.361 7.025 1.00 1.00 H new HETATM 1461 C1C RCY A 187 78.535 -3.223 5.397 1.00 1.00 C HETATM 1462 O1G RCY A 187 80.239 -4.260 5.430 1.00 1.00 O HETATM 1463 O1H RCY A 187 79.339 -6.745 1.516 1.00 1.00 O HETATM 1464 O1J RCY A 187 79.725 -1.321 3.388 1.00 1.00 O HETATM 1465 C1L RCY A 187 81.480 -5.988 4.220 1.00 1.00 C HETATM 1466 C1M RCY A 187 77.605 -4.171 1.943 1.00 1.00 C HETATM 1467 C1P RCY A 187 80.289 -5.063 4.499 1.00 1.00 C HETATM 1468 C1Q RCY A 187 79.701 -6.425 2.647 1.00 1.00 C HETATM 1469 N1R RCY A 187 79.171 -5.262 3.477 1.00 1.00 N HETATM 1470 C1S RCY A 187 80.764 -7.122 3.478 1.00 1.00 C HETATM 1471 C1U RCY A 187 77.855 -4.498 3.318 1.00 1.00 C HETATM 1472 C1V RCY A 187 76.469 -2.530 4.103 1.00 1.00 C HETATM 1473 N1V RCY A 187 78.738 -2.345 3.060 1.00 1.00 N HETATM 1474 C1W RCY A 187 78.348 -2.856 1.674 1.00 1.00 C HETATM 1475 C1X RCY A 187 77.868 -3.142 4.022 1.00 1.00 C HETATM 1476 C1Y RCY A 187 77.429 -1.852 0.973 1.00 1.00 C HETATM 1477 C1Z RCY A 187 79.615 -3.092 0.853 1.00 1.00 C HETATM 0 H1YA RCY A 187 76.565 -1.646 1.605 1.00 1.00 H new HETATM 0 H1VB RCY A 187 75.841 -3.141 4.751 1.00 1.00 H new HETATM 0 H1VA RCY A 187 76.536 -1.521 4.510 1.00 1.00 H new HETATM 0 H1LA RCY A 187 82.246 -5.509 3.611 1.00 1.00 H new HETATM 0 H1CB RCY A 187 77.991 -3.929 6.024 1.00 1.00 H new HETATM 0 H1CA RCY A 187 79.566 -3.559 5.282 1.00 1.00 H new HETATM 0 H1Z RCY A 187 80.118 -2.141 0.679 1.00 1.00 H new HETATM 0 H1Y RCY A 187 77.974 -0.926 0.791 1.00 1.00 H new HETATM 0 H1V RCY A 187 76.031 -2.491 3.106 1.00 1.00 H new HETATM 0 H1U RCY A 187 77.104 -5.164 3.743 1.00 1.00 H new HETATM 0 H1S RCY A 187 80.320 -7.833 4.175 1.00 1.00 H new HETATM 0 H1L RCY A 187 81.966 -6.329 5.134 1.00 1.00 H new HETATM 0 H1C RCY A 187 78.524 -2.239 5.865 1.00 1.00 H new