USER MOD reduce.3.24.130724 H: found=0, std=0, add=777, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 659 hydrogens (20 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 9 GLU H : A 9 GLU N : A 110 RCY O1G :(H bumps) USER MOD NoAdj-H: A 110 RCYH1YB : A 110 RCY C1Y : A 9 GLU OE2 :(H bumps) USER MOD NoAdj-H: A 110 RCYH1YA : A 110 RCY C1Y : A 9 GLU OE2 :(H bumps) USER MOD NoAdj-H: A 110 RCYH1VB : A 110 RCY C1V : A 9 GLU CB :(H bumps) USER MOD NoAdj-H: A 110 RCYH1VA : A 110 RCY C1V : A 9 GLU CB :(H bumps) USER MOD NoAdj-H: A 110 RCYH1SA : A 110 RCY C1S : A 10 CYS SG :(H bumps) USER MOD NoAdj-H: A 110 RCY H1V : A 110 RCY C1V : A 9 GLU CB :(H bumps) USER MOD NoAdj-H: A 121 RCYH1SA : A 121 RCY C1S : A 21 CYS SG :(H bumps) USER MOD NoAdj-H: A 130 RCYH1YB : A 130 RCY C1Y : A 160 RCY O1G :(H bumps) USER MOD NoAdj-H: A 130 RCYH1SA : A 130 RCY C1S : A 30 CYS SG :(H bumps) USER MOD NoAdj-H: A 130 RCY H1Y : A 130 RCY C1Y : A 160 RCY O1G :(H bumps) USER MOD NoAdj-H: A 138 RCYH1VB : A 138 RCY C1V : A 150 RCY C1V :(H bumps) USER MOD NoAdj-H: A 138 RCYH1SA : A 138 RCY C1S : A 38 CYS SG :(H bumps) USER MOD NoAdj-H: A 138 RCY H1V : A 138 RCY C1V : A 150 RCY C1V :(H bumps) USER MOD NoAdj-H: A 150 RCYH1VA : A 150 RCY C1V : A 138 RCY C1V :(H bumps) USER MOD NoAdj-H: A 150 RCYH1SA : A 150 RCY C1S : A 50 CYS SG :(H bumps) USER MOD NoAdj-H: A 150 RCY H1V : A 150 RCY C1V : A 138 RCY O1H :(H bumps) USER MOD NoAdj-H: A 160 RCYH1ZB : A 160 RCY C1Z : A 168 RCY C1M :(H bumps) USER MOD NoAdj-H: A 160 RCYH1YB : A 160 RCY C1Y : A 168 RCY N1R :(H bumps) USER MOD NoAdj-H: A 160 RCYH1SA : A 160 RCY C1S : A 60 CYS SG :(H bumps) USER MOD NoAdj-H: A 160 RCY H1Z : A 160 RCY C1Z : A 168 RCY C1M :(H bumps) USER MOD NoAdj-H: A 160 RCY H1Y : A 160 RCY C1Y : A 168 RCY N1R :(H bumps) USER MOD NoAdj-H: A 160 RCY H1U : A 160 RCY C1U : A 168 RCY O1J :(H bumps) USER MOD NoAdj-H: A 168 RCYH1YB : A 168 RCY C1Y : A 187 RCY C1W :(H bumps) USER MOD NoAdj-H: A 168 RCYH1YA : A 168 RCY C1Y : A 187 RCY C1Z :(H bumps) USER MOD NoAdj-H: A 168 RCYH1VA : A 168 RCY C1V : A 160 RCY N1V :(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 RCYH1MA : A 168 RCY C1M : A 160 RCY C1Z :(H bumps) USER MOD NoAdj-H: A 168 RCYH1CA : A 168 RCY C1C : A 160 RCY C1U :(H bumps) USER MOD NoAdj-H: A 168 RCY H1Z : A 168 RCY C1Z : A 187 RCY O1J :(H bumps) USER MOD NoAdj-H: A 168 RCY H1V : A 168 RCY C1V : A 160 RCY O1J :(H bumps) USER MOD NoAdj-H: A 168 RCY H1U : A 168 RCY C1U : A 160 RCY C1W :(H bumps) USER MOD NoAdj-H: A 168 RCY H1C : A 168 RCY C1C : A 160 RCY C1U :(H bumps) USER MOD NoAdj-H: A 173 RCYH1YB : A 173 RCY C1Y : A 176 RCY C1P :(H bumps) USER MOD NoAdj-H: A 173 RCYH1YA : A 173 RCY C1Y : A 176 RCY C1U :(H bumps) USER MOD NoAdj-H: A 173 RCYH1VB : A 173 RCY C1V : A 176 RCY C1X :(H bumps) USER MOD NoAdj-H: A 173 RCYH1VA : A 173 RCY C1V : A 176 RCY C1X :(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 RCYH1MA : A 173 RCY C1M : A 176 RCY C1Z :(H bumps) USER MOD NoAdj-H: A 173 RCYH1CB : A 173 RCY C1C : A 176 RCY C1Y :(H bumps) USER MOD NoAdj-H: A 173 RCY H1Y : A 173 RCY C1Y : A 176 RCY C1P :(H bumps) USER MOD NoAdj-H: A 173 RCY H1V : A 173 RCY C1V : A 176 RCY C1X :(H bumps) USER MOD NoAdj-H: A 173 RCY H1M : A 173 RCY C1M : A 176 RCY C1Z :(H bumps) USER MOD NoAdj-H: A 176 RCYH1ZB : A 176 RCY C1Z : A 173 RCY C1M :(H bumps) USER MOD NoAdj-H: A 176 RCYH1ZA : A 176 RCY C1Z : A 173 RCY C1M :(H bumps) USER MOD NoAdj-H: A 176 RCYH1YB : A 176 RCY C1Y : A 173 RCY C1C :(H bumps) USER MOD NoAdj-H: A 176 RCYH1YA : A 176 RCY C1Y : A 173 RCY C1X :(H bumps) USER MOD NoAdj-H: A 176 RCYH1SA : A 176 RCY C1S : A 76 CYS SG :(H bumps) USER MOD NoAdj-H: A 176 RCYH1MA : A 176 RCY C1M : A 173 RCY C1W :(H bumps) USER MOD NoAdj-H: A 176 RCY H1Z : A 176 RCY C1Z : A 173 RCY N1R :(H bumps) USER MOD NoAdj-H: A 176 RCY H1V : A 176 RCY C1V : A 173 RCY C1V :(H bumps) USER MOD NoAdj-H: A 176 RCY H1M : A 176 RCY C1M : A 173 RCY C1X :(H bumps) USER MOD NoAdj-H: A 187 RCYH1ZB : A 187 RCY C1Z : A 168 RCY C1Y :(H bumps) USER MOD NoAdj-H: A 187 RCYH1SA : A 187 RCY C1S : A 87 CYS SG :(H bumps) USER MOD NoAdj-H: A 187 RCY H1Z : A 187 RCY C1Z : A 168 RCY C1Y :(H bumps) USER MOD Set 1.1: A 62 THR OG1 : rot 40:sc= 0.0142! USER MOD Set 1.2: A 65 THR OG1 : rot -44:sc= 0.346 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 171:sc= -1.69! (180deg=-1.87!) USER MOD Single : A 2 ASN : amide:sc= -1.51! C(o=-1.5!,f=-8.6!) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.125 USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -157:sc= -0.0499 (180deg=-0.502) USER MOD Single : A 31 LYS NZ :NH3+ -143:sc= -1.14! (180deg=-2.19!) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 THR OG1 : rot 114:sc= 0.137 USER MOD Single : A 37 GLN :FLIP amide:sc= 0 F(o=-0.72,f=0) USER MOD Single : A 39 LYS NZ :NH3+ -163:sc= -0.996 (180deg=-2.01) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.305) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 158:sc= 0 (180deg=-0.0153) USER MOD Single : A 48 GLN :FLIP amide:sc= -1.4 F(o=-6.4!,f=-1.4) USER MOD Single : A 57 MET CE :methyl -164:sc= 0 (180deg=-0.149) USER MOD Single : A 74 ASN : amide:sc= -0.978 K(o=-0.98,f=-2.6!) USER MOD Single : A 75 HIS : no HD1:sc= -0.0696 X(o=-0.07,f=0) USER MOD Single : A 79 HIS : no HD1:sc= -0.417 K(o=-0.42,f=-1.1) USER MOD Single : A 83 GLN :FLIP amide:sc= -16.7! C(o=-28!,f=-17!) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 70.249 -7.711 18.269 1.00 1.00 N ATOM 2 CA MET A 1 71.327 -6.692 18.126 1.00 1.00 C ATOM 3 C MET A 1 72.623 -7.232 18.737 1.00 1.00 C ATOM 4 O MET A 1 73.688 -6.679 18.545 1.00 1.00 O ATOM 5 CB MET A 1 70.915 -5.409 18.853 1.00 1.00 C ATOM 6 CG MET A 1 71.808 -4.254 18.396 1.00 1.00 C ATOM 7 SD MET A 1 71.340 -2.744 19.279 1.00 1.00 S ATOM 8 CE MET A 1 72.468 -1.620 18.419 1.00 1.00 C ATOM 0 H1 MET A 1 69.337 -7.292 17.995 1.00 1.00 H new ATOM 0 H2 MET A 1 70.456 -8.524 17.654 1.00 1.00 H new ATOM 0 H3 MET A 1 70.201 -8.029 19.258 1.00 1.00 H new ATOM 0 HA MET A 1 71.486 -6.476 17.070 1.00 1.00 H new ATOM 0 HB2 MET A 1 69.870 -5.180 18.644 1.00 1.00 H new ATOM 0 HB3 MET A 1 71.002 -5.545 19.931 1.00 1.00 H new ATOM 0 HG2 MET A 1 72.854 -4.491 18.588 1.00 1.00 H new ATOM 0 HG3 MET A 1 71.707 -4.106 17.321 1.00 1.00 H new ATOM 0 HE1 MET A 1 72.346 -0.611 18.813 1.00 1.00 H new ATOM 0 HE2 MET A 1 73.496 -1.948 18.573 1.00 1.00 H new ATOM 0 HE3 MET A 1 72.242 -1.623 17.353 1.00 1.00 H new ATOM 17 N ASN A 2 72.541 -8.308 19.471 1.00 1.00 N ATOM 18 CA ASN A 2 73.768 -8.881 20.094 1.00 1.00 C ATOM 19 C ASN A 2 73.554 -10.371 20.366 1.00 1.00 C ATOM 20 O ASN A 2 73.059 -10.754 21.407 1.00 1.00 O ATOM 21 CB ASN A 2 74.054 -8.159 21.412 1.00 1.00 C ATOM 22 CG ASN A 2 72.771 -8.082 22.241 1.00 1.00 C ATOM 23 OD1 ASN A 2 71.712 -8.458 21.780 1.00 1.00 O ATOM 24 ND2 ASN A 2 72.821 -7.606 23.455 1.00 1.00 N ATOM 0 H ASN A 2 71.678 -8.815 19.666 1.00 1.00 H new ATOM 0 HA ASN A 2 74.613 -8.753 19.417 1.00 1.00 H new ATOM 0 HB2 ASN A 2 74.828 -8.688 21.968 1.00 1.00 H new ATOM 0 HB3 ASN A 2 74.433 -7.156 21.215 1.00 1.00 H new ATOM 0 HD21 ASN A 2 71.971 -7.550 24.016 1.00 1.00 H new ATOM 0 HD22 ASN A 2 73.710 -7.290 23.843 1.00 1.00 H new ATOM 31 N LEU A 3 73.924 -11.213 19.437 1.00 1.00 N ATOM 32 CA LEU A 3 73.749 -12.686 19.626 1.00 1.00 C ATOM 33 C LEU A 3 72.254 -13.024 19.726 1.00 1.00 C ATOM 34 O LEU A 3 71.819 -14.071 19.288 1.00 1.00 O ATOM 35 CB LEU A 3 74.480 -13.145 20.904 1.00 1.00 C ATOM 36 CG LEU A 3 75.804 -13.810 20.524 1.00 1.00 C ATOM 37 CD1 LEU A 3 76.755 -13.777 21.722 1.00 1.00 C ATOM 38 CD2 LEU A 3 75.546 -15.263 20.119 1.00 1.00 C ATOM 0 H LEU A 3 74.344 -10.942 18.548 1.00 1.00 H new ATOM 0 HA LEU A 3 74.176 -13.208 18.769 1.00 1.00 H new ATOM 0 HB2 LEU A 3 74.664 -12.292 21.557 1.00 1.00 H new ATOM 0 HB3 LEU A 3 73.856 -13.844 21.461 1.00 1.00 H new ATOM 0 HG LEU A 3 76.253 -13.273 19.689 1.00 1.00 H new ATOM 0 HD11 LEU A 3 77.698 -14.251 21.451 1.00 1.00 H new ATOM 0 HD12 LEU A 3 76.939 -12.743 22.012 1.00 1.00 H new ATOM 0 HD13 LEU A 3 76.306 -14.314 22.558 1.00 1.00 H new ATOM 0 HD21 LEU A 3 76.489 -15.738 19.848 1.00 1.00 H new ATOM 0 HD22 LEU A 3 75.097 -15.799 20.955 1.00 1.00 H new ATOM 0 HD23 LEU A 3 74.869 -15.288 19.265 1.00 1.00 H new ATOM 50 N GLU A 4 71.463 -12.151 20.291 1.00 1.00 N ATOM 51 CA GLU A 4 70.002 -12.433 20.406 1.00 1.00 C ATOM 52 C GLU A 4 69.286 -11.876 19.168 1.00 1.00 C ATOM 53 O GLU A 4 69.728 -10.911 18.577 1.00 1.00 O ATOM 54 CB GLU A 4 69.450 -11.759 21.669 1.00 1.00 C ATOM 55 CG GLU A 4 70.492 -11.835 22.786 1.00 1.00 C ATOM 56 CD GLU A 4 69.791 -11.767 24.145 1.00 1.00 C ATOM 57 OE1 GLU A 4 68.626 -11.406 24.170 1.00 1.00 O ATOM 58 OE2 GLU A 4 70.432 -12.077 25.136 1.00 1.00 O ATOM 0 H GLU A 4 71.764 -11.256 20.677 1.00 1.00 H new ATOM 0 HA GLU A 4 69.836 -13.508 20.472 1.00 1.00 H new ATOM 0 HB2 GLU A 4 69.201 -10.719 21.460 1.00 1.00 H new ATOM 0 HB3 GLU A 4 68.529 -12.250 21.983 1.00 1.00 H new ATOM 0 HG2 GLU A 4 71.061 -12.761 22.704 1.00 1.00 H new ATOM 0 HG3 GLU A 4 71.203 -11.015 22.691 1.00 1.00 H new ATOM 65 N PRO A 5 68.188 -12.474 18.776 1.00 1.00 N ATOM 66 CA PRO A 5 67.411 -12.022 17.590 1.00 1.00 C ATOM 67 C PRO A 5 67.358 -10.488 17.482 1.00 1.00 C ATOM 68 O PRO A 5 67.045 -9.811 18.441 1.00 1.00 O ATOM 69 CB PRO A 5 66.018 -12.591 17.852 1.00 1.00 C ATOM 70 CG PRO A 5 66.253 -13.838 18.642 1.00 1.00 C ATOM 71 CD PRO A 5 67.562 -13.641 19.417 1.00 1.00 C ATOM 0 HA PRO A 5 67.854 -12.357 16.652 1.00 1.00 H new ATOM 0 HB2 PRO A 5 65.400 -11.884 18.405 1.00 1.00 H new ATOM 0 HB3 PRO A 5 65.498 -12.807 16.919 1.00 1.00 H new ATOM 0 HG2 PRO A 5 65.425 -14.023 19.326 1.00 1.00 H new ATOM 0 HG3 PRO A 5 66.322 -14.704 17.984 1.00 1.00 H new ATOM 0 HD2 PRO A 5 67.375 -13.461 20.476 1.00 1.00 H new ATOM 0 HD3 PRO A 5 68.200 -14.522 19.351 1.00 1.00 H new ATOM 79 N PRO A 6 67.660 -9.940 16.328 1.00 1.00 N ATOM 80 CA PRO A 6 67.639 -8.463 16.116 1.00 1.00 C ATOM 81 C PRO A 6 66.215 -7.922 15.952 1.00 1.00 C ATOM 82 O PRO A 6 65.330 -8.609 15.481 1.00 1.00 O ATOM 83 CB PRO A 6 68.438 -8.278 14.825 1.00 1.00 C ATOM 84 CG PRO A 6 68.236 -9.548 14.065 1.00 1.00 C ATOM 85 CD PRO A 6 68.051 -10.659 15.104 1.00 1.00 C ATOM 0 HA PRO A 6 68.052 -7.921 16.967 1.00 1.00 H new ATOM 0 HB2 PRO A 6 68.081 -7.417 14.259 1.00 1.00 H new ATOM 0 HB3 PRO A 6 69.494 -8.106 15.035 1.00 1.00 H new ATOM 0 HG2 PRO A 6 67.363 -9.476 13.416 1.00 1.00 H new ATOM 0 HG3 PRO A 6 69.093 -9.756 13.424 1.00 1.00 H new ATOM 0 HD2 PRO A 6 67.284 -11.370 14.796 1.00 1.00 H new ATOM 0 HD3 PRO A 6 68.970 -11.226 15.250 1.00 1.00 H new ATOM 93 N LYS A 7 65.987 -6.696 16.335 1.00 1.00 N ATOM 94 CA LYS A 7 64.623 -6.114 16.198 1.00 1.00 C ATOM 95 C LYS A 7 64.336 -5.832 14.722 1.00 1.00 C ATOM 96 O LYS A 7 63.751 -4.825 14.374 1.00 1.00 O ATOM 97 CB LYS A 7 64.539 -4.810 16.995 1.00 1.00 C ATOM 98 CG LYS A 7 65.669 -3.873 16.563 1.00 1.00 C ATOM 99 CD LYS A 7 65.641 -2.609 17.424 1.00 1.00 C ATOM 100 CE LYS A 7 66.475 -2.832 18.687 1.00 1.00 C ATOM 101 NZ LYS A 7 66.073 -1.845 19.728 1.00 1.00 N ATOM 0 H LYS A 7 66.687 -6.072 16.737 1.00 1.00 H new ATOM 0 HA LYS A 7 63.887 -6.820 16.583 1.00 1.00 H new ATOM 0 HB2 LYS A 7 63.573 -4.332 16.830 1.00 1.00 H new ATOM 0 HB3 LYS A 7 64.613 -5.018 18.062 1.00 1.00 H new ATOM 0 HG2 LYS A 7 66.631 -4.375 16.666 1.00 1.00 H new ATOM 0 HG3 LYS A 7 65.557 -3.612 15.511 1.00 1.00 H new ATOM 0 HD2 LYS A 7 66.035 -1.763 16.860 1.00 1.00 H new ATOM 0 HD3 LYS A 7 64.614 -2.362 17.693 1.00 1.00 H new ATOM 0 HE2 LYS A 7 66.330 -3.847 19.057 1.00 1.00 H new ATOM 0 HE3 LYS A 7 67.536 -2.725 18.459 1.00 1.00 H new ATOM 0 HZ1 LYS A 7 66.640 -1.996 20.587 1.00 1.00 H new ATOM 0 HZ2 LYS A 7 66.233 -0.881 19.373 1.00 1.00 H new ATOM 0 HZ3 LYS A 7 65.065 -1.968 19.952 1.00 1.00 H new ATOM 115 N ALA A 8 64.744 -6.715 13.851 1.00 1.00 N ATOM 116 CA ALA A 8 64.497 -6.500 12.396 1.00 1.00 C ATOM 117 C ALA A 8 64.454 -7.854 11.684 1.00 1.00 C ATOM 118 O ALA A 8 65.431 -8.575 11.642 1.00 1.00 O ATOM 119 CB ALA A 8 65.624 -5.650 11.807 1.00 1.00 C ATOM 0 H ALA A 8 65.238 -7.576 14.084 1.00 1.00 H new ATOM 0 HA ALA A 8 63.546 -5.985 12.260 1.00 1.00 H new ATOM 0 HB1 ALA A 8 65.444 -5.493 10.744 1.00 1.00 H new ATOM 0 HB2 ALA A 8 65.657 -4.687 12.316 1.00 1.00 H new ATOM 0 HB3 ALA A 8 66.576 -6.164 11.941 1.00 1.00 H new ATOM 125 N GLU A 9 63.327 -8.208 11.127 1.00 1.00 N ATOM 126 CA GLU A 9 63.224 -9.516 10.421 1.00 1.00 C ATOM 127 C GLU A 9 63.745 -10.627 11.338 1.00 1.00 C ATOM 128 O GLU A 9 64.861 -11.086 11.201 1.00 1.00 O ATOM 129 CB GLU A 9 64.060 -9.471 9.134 1.00 1.00 C ATOM 130 CG GLU A 9 63.154 -9.137 7.948 1.00 1.00 C ATOM 131 CD GLU A 9 62.361 -7.864 8.253 1.00 1.00 C ATOM 132 OE1 GLU A 9 62.898 -7.004 8.931 1.00 1.00 O ATOM 133 OE2 GLU A 9 61.231 -7.771 7.802 1.00 1.00 O ATOM 0 HA GLU A 9 62.183 -9.715 10.165 1.00 1.00 H new ATOM 0 HB2 GLU A 9 64.848 -8.723 9.225 1.00 1.00 H new ATOM 0 HB3 GLU A 9 64.550 -10.431 8.972 1.00 1.00 H new ATOM 0 HG2 GLU A 9 63.752 -8.998 7.048 1.00 1.00 H new ATOM 0 HG3 GLU A 9 62.472 -9.965 7.753 1.00 1.00 H new ATOM 140 N CYS A 10 62.944 -11.061 12.273 1.00 1.00 N ATOM 141 CA CYS A 10 63.392 -12.141 13.198 1.00 1.00 C ATOM 142 C CYS A 10 63.047 -13.504 12.594 1.00 1.00 C ATOM 143 O CYS A 10 62.427 -14.335 13.227 1.00 1.00 O ATOM 144 CB CYS A 10 62.683 -11.985 14.545 1.00 1.00 C ATOM 145 SG CYS A 10 60.905 -12.247 14.327 1.00 1.00 S ATOM 0 H CYS A 10 61.999 -10.714 12.436 1.00 1.00 H new ATOM 0 HA CYS A 10 64.470 -12.071 13.345 1.00 1.00 H new ATOM 0 HB2 CYS A 10 63.082 -12.702 15.263 1.00 1.00 H new ATOM 0 HB3 CYS A 10 62.867 -10.991 14.952 1.00 1.00 H new ATOM 150 N ARG A 11 63.445 -13.740 11.374 1.00 1.00 N ATOM 151 CA ARG A 11 63.140 -15.048 10.730 1.00 1.00 C ATOM 152 C ARG A 11 63.971 -15.192 9.452 1.00 1.00 C ATOM 153 O ARG A 11 63.791 -16.116 8.684 1.00 1.00 O ATOM 154 CB ARG A 11 61.648 -15.110 10.385 1.00 1.00 C ATOM 155 CG ARG A 11 61.350 -16.402 9.622 1.00 1.00 C ATOM 156 CD ARG A 11 59.896 -16.813 9.862 1.00 1.00 C ATOM 157 NE ARG A 11 59.593 -18.047 9.083 1.00 1.00 N ATOM 158 CZ ARG A 11 60.102 -19.191 9.450 1.00 1.00 C ATOM 159 NH1 ARG A 11 60.875 -19.255 10.499 1.00 1.00 N ATOM 160 NH2 ARG A 11 59.837 -20.272 8.768 1.00 1.00 N ATOM 0 H ARG A 11 63.968 -13.083 10.795 1.00 1.00 H new ATOM 0 HA ARG A 11 63.387 -15.860 11.415 1.00 1.00 H new ATOM 0 HB2 ARG A 11 61.052 -15.069 11.297 1.00 1.00 H new ATOM 0 HB3 ARG A 11 61.368 -14.247 9.781 1.00 1.00 H new ATOM 0 HG2 ARG A 11 61.527 -16.256 8.556 1.00 1.00 H new ATOM 0 HG3 ARG A 11 62.022 -17.194 9.951 1.00 1.00 H new ATOM 0 HD2 ARG A 11 59.728 -16.990 10.924 1.00 1.00 H new ATOM 0 HD3 ARG A 11 59.225 -16.008 9.563 1.00 1.00 H new ATOM 0 HE ARG A 11 58.988 -17.997 8.263 1.00 1.00 H new ATOM 0 HH11 ARG A 11 61.082 -18.411 11.033 1.00 1.00 H new ATOM 0 HH12 ARG A 11 61.273 -20.149 10.786 1.00 1.00 H new ATOM 0 HH21 ARG A 11 59.232 -20.222 7.948 1.00 1.00 H new ATOM 0 HH22 ARG A 11 60.235 -21.166 9.055 1.00 1.00 H new ATOM 174 N SER A 12 64.882 -14.286 9.221 1.00 1.00 N ATOM 175 CA SER A 12 65.726 -14.370 7.994 1.00 1.00 C ATOM 176 C SER A 12 66.213 -15.809 7.801 1.00 1.00 C ATOM 177 O SER A 12 67.057 -16.292 8.529 1.00 1.00 O ATOM 178 CB SER A 12 66.932 -13.440 8.142 1.00 1.00 C ATOM 179 OG SER A 12 66.510 -12.094 7.969 1.00 1.00 O ATOM 0 H SER A 12 65.079 -13.491 9.829 1.00 1.00 H new ATOM 0 HA SER A 12 65.136 -14.069 7.128 1.00 1.00 H new ATOM 0 HB2 SER A 12 67.386 -13.568 9.125 1.00 1.00 H new ATOM 0 HB3 SER A 12 67.693 -13.692 7.404 1.00 1.00 H new ATOM 0 HG SER A 12 67.280 -11.495 8.065 1.00 1.00 H new ATOM 185 N ALA A 13 65.685 -16.496 6.824 1.00 1.00 N ATOM 186 CA ALA A 13 66.115 -17.903 6.583 1.00 1.00 C ATOM 187 C ALA A 13 65.885 -18.260 5.112 1.00 1.00 C ATOM 188 O ALA A 13 66.491 -19.170 4.582 1.00 1.00 O ATOM 189 CB ALA A 13 65.298 -18.845 7.469 1.00 1.00 C ATOM 0 H ALA A 13 64.975 -16.144 6.183 1.00 1.00 H new ATOM 0 HA ALA A 13 67.173 -18.006 6.822 1.00 1.00 H new ATOM 0 HB1 ALA A 13 65.612 -19.874 7.293 1.00 1.00 H new ATOM 0 HB2 ALA A 13 65.459 -18.590 8.517 1.00 1.00 H new ATOM 0 HB3 ALA A 13 64.240 -18.743 7.230 1.00 1.00 H new ATOM 195 N THR A 14 65.014 -17.549 4.450 1.00 1.00 N ATOM 196 CA THR A 14 64.746 -17.847 3.014 1.00 1.00 C ATOM 197 C THR A 14 64.124 -16.619 2.347 1.00 1.00 C ATOM 198 O THR A 14 63.828 -15.633 2.992 1.00 1.00 O ATOM 199 CB THR A 14 63.779 -19.029 2.909 1.00 1.00 C ATOM 200 OG1 THR A 14 63.628 -19.395 1.545 1.00 1.00 O ATOM 201 CG2 THR A 14 62.419 -18.632 3.486 1.00 1.00 C ATOM 0 H THR A 14 64.477 -16.775 4.841 1.00 1.00 H new ATOM 0 HA THR A 14 65.682 -18.098 2.514 1.00 1.00 H new ATOM 0 HB THR A 14 64.176 -19.874 3.471 1.00 1.00 H new ATOM 0 HG1 THR A 14 63.010 -20.153 1.476 1.00 1.00 H new ATOM 0 HG21 THR A 14 61.732 -19.475 3.410 1.00 1.00 H new ATOM 0 HG22 THR A 14 62.536 -18.352 4.533 1.00 1.00 H new ATOM 0 HG23 THR A 14 62.019 -17.786 2.926 1.00 1.00 H new ATOM 209 N ARG A 15 63.923 -16.671 1.059 1.00 1.00 N ATOM 210 CA ARG A 15 63.321 -15.507 0.352 1.00 1.00 C ATOM 211 C ARG A 15 62.045 -15.076 1.084 1.00 1.00 C ATOM 212 O ARG A 15 61.039 -15.757 1.048 1.00 1.00 O ATOM 213 CB ARG A 15 62.986 -15.910 -1.093 1.00 1.00 C ATOM 214 CG ARG A 15 63.785 -15.040 -2.065 1.00 1.00 C ATOM 215 CD ARG A 15 65.280 -15.309 -1.882 1.00 1.00 C ATOM 216 NE ARG A 15 65.990 -14.021 -1.641 1.00 1.00 N ATOM 217 CZ ARG A 15 67.184 -14.023 -1.115 1.00 1.00 C ATOM 218 NH1 ARG A 15 67.756 -15.152 -0.800 1.00 1.00 N ATOM 219 NH2 ARG A 15 67.806 -12.895 -0.905 1.00 1.00 N ATOM 0 H ARG A 15 64.150 -17.469 0.466 1.00 1.00 H new ATOM 0 HA ARG A 15 64.025 -14.675 0.339 1.00 1.00 H new ATOM 0 HB2 ARG A 15 63.222 -16.962 -1.252 1.00 1.00 H new ATOM 0 HB3 ARG A 15 61.918 -15.792 -1.276 1.00 1.00 H new ATOM 0 HG2 ARG A 15 63.489 -15.257 -3.091 1.00 1.00 H new ATOM 0 HG3 ARG A 15 63.570 -13.986 -1.887 1.00 1.00 H new ATOM 0 HD2 ARG A 15 65.439 -15.987 -1.043 1.00 1.00 H new ATOM 0 HD3 ARG A 15 65.684 -15.799 -2.768 1.00 1.00 H new ATOM 0 HE ARG A 15 65.543 -13.138 -1.887 1.00 1.00 H new ATOM 0 HH11 ARG A 15 67.270 -16.033 -0.965 1.00 1.00 H new ATOM 0 HH12 ARG A 15 68.689 -15.154 -0.389 1.00 1.00 H new ATOM 0 HH21 ARG A 15 67.359 -12.012 -1.152 1.00 1.00 H new ATOM 0 HH22 ARG A 15 68.739 -12.896 -0.494 1.00 1.00 H new ATOM 233 N VAL A 16 62.083 -13.950 1.747 1.00 1.00 N ATOM 234 CA VAL A 16 60.878 -13.466 2.486 1.00 1.00 C ATOM 235 C VAL A 16 60.493 -12.076 1.975 1.00 1.00 C ATOM 236 O VAL A 16 59.541 -11.477 2.434 1.00 1.00 O ATOM 237 CB VAL A 16 61.196 -13.389 3.981 1.00 1.00 C ATOM 238 CG1 VAL A 16 61.171 -14.796 4.582 1.00 1.00 C ATOM 239 CG2 VAL A 16 62.585 -12.778 4.175 1.00 1.00 C ATOM 0 H VAL A 16 62.900 -13.342 1.809 1.00 1.00 H new ATOM 0 HA VAL A 16 60.049 -14.156 2.325 1.00 1.00 H new ATOM 0 HB VAL A 16 60.451 -12.768 4.479 1.00 1.00 H new ATOM 0 HG11 VAL A 16 61.398 -14.741 5.647 1.00 1.00 H new ATOM 0 HG12 VAL A 16 60.182 -15.233 4.444 1.00 1.00 H new ATOM 0 HG13 VAL A 16 61.915 -15.417 4.084 1.00 1.00 H new ATOM 0 HG21 VAL A 16 62.813 -12.723 5.240 1.00 1.00 H new ATOM 0 HG22 VAL A 16 63.329 -13.400 3.677 1.00 1.00 H new ATOM 0 HG23 VAL A 16 62.605 -11.776 3.747 1.00 1.00 H new ATOM 249 N MET A 17 61.227 -11.557 1.028 1.00 1.00 N ATOM 250 CA MET A 17 60.902 -10.206 0.491 1.00 1.00 C ATOM 251 C MET A 17 59.763 -10.321 -0.526 1.00 1.00 C ATOM 252 O MET A 17 58.710 -10.853 -0.234 1.00 1.00 O ATOM 253 CB MET A 17 62.139 -9.617 -0.191 1.00 1.00 C ATOM 254 CG MET A 17 63.238 -9.392 0.849 1.00 1.00 C ATOM 255 SD MET A 17 62.789 -7.995 1.909 1.00 1.00 S ATOM 256 CE MET A 17 64.138 -8.173 3.102 1.00 1.00 C ATOM 0 H MET A 17 62.037 -12.010 0.604 1.00 1.00 H new ATOM 0 HA MET A 17 60.594 -9.554 1.309 1.00 1.00 H new ATOM 0 HB2 MET A 17 62.494 -10.292 -0.970 1.00 1.00 H new ATOM 0 HB3 MET A 17 61.885 -8.675 -0.677 1.00 1.00 H new ATOM 0 HG2 MET A 17 63.373 -10.290 1.451 1.00 1.00 H new ATOM 0 HG3 MET A 17 64.188 -9.195 0.353 1.00 1.00 H new ATOM 0 HE1 MET A 17 64.056 -7.397 3.863 1.00 1.00 H new ATOM 0 HE2 MET A 17 64.078 -9.153 3.575 1.00 1.00 H new ATOM 0 HE3 MET A 17 65.094 -8.077 2.587 1.00 1.00 H new ATOM 266 N GLY A 18 59.964 -9.827 -1.716 1.00 1.00 N ATOM 267 CA GLY A 18 58.892 -9.908 -2.748 1.00 1.00 C ATOM 268 C GLY A 18 58.869 -11.312 -3.356 1.00 1.00 C ATOM 269 O GLY A 18 59.436 -12.242 -2.818 1.00 1.00 O ATOM 0 H GLY A 18 60.824 -9.371 -2.019 1.00 1.00 H new ATOM 0 HA2 GLY A 18 57.925 -9.679 -2.301 1.00 1.00 H new ATOM 0 HA3 GLY A 18 59.067 -9.166 -3.527 1.00 1.00 H new ATOM 273 N GLY A 19 58.218 -11.471 -4.476 1.00 1.00 N ATOM 274 CA GLY A 19 58.158 -12.813 -5.122 1.00 1.00 C ATOM 275 C GLY A 19 59.544 -13.180 -5.664 1.00 1.00 C ATOM 276 O GLY A 19 60.548 -12.683 -5.195 1.00 1.00 O ATOM 0 H GLY A 19 57.725 -10.729 -4.972 1.00 1.00 H new ATOM 0 HA2 GLY A 19 57.827 -13.561 -4.401 1.00 1.00 H new ATOM 0 HA3 GLY A 19 57.429 -12.807 -5.932 1.00 1.00 H new ATOM 280 N PRO A 20 59.599 -14.045 -6.644 1.00 1.00 N ATOM 281 CA PRO A 20 60.886 -14.484 -7.256 1.00 1.00 C ATOM 282 C PRO A 20 61.811 -13.302 -7.567 1.00 1.00 C ATOM 283 O PRO A 20 61.475 -12.160 -7.323 1.00 1.00 O ATOM 284 CB PRO A 20 60.450 -15.188 -8.543 1.00 1.00 C ATOM 285 CG PRO A 20 59.073 -15.690 -8.261 1.00 1.00 C ATOM 286 CD PRO A 20 58.442 -14.702 -7.275 1.00 1.00 C ATOM 0 HA PRO A 20 61.461 -15.124 -6.587 1.00 1.00 H new ATOM 0 HB2 PRO A 20 60.454 -14.501 -9.389 1.00 1.00 H new ATOM 0 HB3 PRO A 20 61.125 -16.006 -8.793 1.00 1.00 H new ATOM 0 HG2 PRO A 20 58.487 -15.750 -9.178 1.00 1.00 H new ATOM 0 HG3 PRO A 20 59.105 -16.694 -7.837 1.00 1.00 H new ATOM 0 HD2 PRO A 20 57.803 -13.982 -7.785 1.00 1.00 H new ATOM 0 HD3 PRO A 20 57.822 -15.213 -6.539 1.00 1.00 H new ATOM 294 N CYS A 21 62.973 -13.570 -8.102 1.00 1.00 N ATOM 295 CA CYS A 21 63.924 -12.467 -8.428 1.00 1.00 C ATOM 296 C CYS A 21 64.458 -12.659 -9.848 1.00 1.00 C ATOM 297 O CYS A 21 64.855 -13.742 -10.232 1.00 1.00 O ATOM 298 CB CYS A 21 65.089 -12.492 -7.437 1.00 1.00 C ATOM 299 SG CYS A 21 66.222 -11.128 -7.802 1.00 1.00 S ATOM 0 H CYS A 21 63.305 -14.508 -8.328 1.00 1.00 H new ATOM 0 HA CYS A 21 63.409 -11.509 -8.360 1.00 1.00 H new ATOM 0 HB2 CYS A 21 64.715 -12.405 -6.417 1.00 1.00 H new ATOM 0 HB3 CYS A 21 65.616 -13.444 -7.503 1.00 1.00 H new ATOM 304 N THR A 22 64.472 -11.612 -10.631 1.00 1.00 N ATOM 305 CA THR A 22 64.980 -11.720 -12.031 1.00 1.00 C ATOM 306 C THR A 22 66.279 -10.914 -12.163 1.00 1.00 C ATOM 307 O THR A 22 66.251 -9.711 -12.334 1.00 1.00 O ATOM 308 CB THR A 22 63.930 -11.153 -12.995 1.00 1.00 C ATOM 309 OG1 THR A 22 64.426 -11.219 -14.324 1.00 1.00 O ATOM 310 CG2 THR A 22 63.633 -9.698 -12.630 1.00 1.00 C ATOM 0 H THR A 22 64.152 -10.682 -10.360 1.00 1.00 H new ATOM 0 HA THR A 22 65.172 -12.765 -12.272 1.00 1.00 H new ATOM 0 HB THR A 22 63.013 -11.738 -12.920 1.00 1.00 H new ATOM 0 HG1 THR A 22 63.756 -10.859 -14.942 1.00 1.00 H new ATOM 0 HG21 THR A 22 62.887 -9.296 -13.315 1.00 1.00 H new ATOM 0 HG22 THR A 22 63.252 -9.649 -11.610 1.00 1.00 H new ATOM 0 HG23 THR A 22 64.548 -9.110 -12.704 1.00 1.00 H new ATOM 318 N PRO A 23 67.414 -11.566 -12.082 1.00 1.00 N ATOM 319 CA PRO A 23 68.738 -10.886 -12.193 1.00 1.00 C ATOM 320 C PRO A 23 68.805 -9.935 -13.394 1.00 1.00 C ATOM 321 O PRO A 23 69.326 -10.272 -14.439 1.00 1.00 O ATOM 322 CB PRO A 23 69.726 -12.044 -12.357 1.00 1.00 C ATOM 323 CG PRO A 23 69.069 -13.208 -11.692 1.00 1.00 C ATOM 324 CD PRO A 23 67.561 -13.016 -11.872 1.00 1.00 C ATOM 0 HA PRO A 23 68.948 -10.258 -11.327 1.00 1.00 H new ATOM 0 HB2 PRO A 23 69.922 -12.250 -13.409 1.00 1.00 H new ATOM 0 HB3 PRO A 23 70.685 -11.814 -11.893 1.00 1.00 H new ATOM 0 HG2 PRO A 23 69.397 -14.146 -12.139 1.00 1.00 H new ATOM 0 HG3 PRO A 23 69.331 -13.250 -10.635 1.00 1.00 H new ATOM 0 HD2 PRO A 23 67.184 -13.584 -12.723 1.00 1.00 H new ATOM 0 HD3 PRO A 23 67.008 -13.351 -10.995 1.00 1.00 H new ATOM 332 N ARG A 24 68.283 -8.748 -13.251 1.00 1.00 N ATOM 333 CA ARG A 24 68.318 -7.778 -14.382 1.00 1.00 C ATOM 334 C ARG A 24 67.776 -6.426 -13.906 1.00 1.00 C ATOM 335 O ARG A 24 66.582 -6.209 -13.849 1.00 1.00 O ATOM 336 CB ARG A 24 67.456 -8.311 -15.538 1.00 1.00 C ATOM 337 CG ARG A 24 68.307 -8.415 -16.805 1.00 1.00 C ATOM 338 CD ARG A 24 67.490 -9.075 -17.917 1.00 1.00 C ATOM 339 NE ARG A 24 68.384 -9.401 -19.063 1.00 1.00 N ATOM 340 CZ ARG A 24 68.755 -8.462 -19.890 1.00 1.00 C ATOM 341 NH1 ARG A 24 68.342 -7.237 -19.713 1.00 1.00 N ATOM 342 NH2 ARG A 24 69.538 -8.748 -20.894 1.00 1.00 N ATOM 0 H ARG A 24 67.834 -8.408 -12.401 1.00 1.00 H new ATOM 0 HA ARG A 24 69.344 -7.652 -14.729 1.00 1.00 H new ATOM 0 HB2 ARG A 24 67.048 -9.288 -15.280 1.00 1.00 H new ATOM 0 HB3 ARG A 24 66.609 -7.647 -15.710 1.00 1.00 H new ATOM 0 HG2 ARG A 24 68.633 -7.423 -17.119 1.00 1.00 H new ATOM 0 HG3 ARG A 24 69.206 -8.998 -16.605 1.00 1.00 H new ATOM 0 HD2 ARG A 24 67.014 -9.982 -17.544 1.00 1.00 H new ATOM 0 HD3 ARG A 24 66.693 -8.407 -18.243 1.00 1.00 H new ATOM 0 HE ARG A 24 68.706 -10.359 -19.201 1.00 1.00 H new ATOM 0 HH11 ARG A 24 67.729 -7.014 -18.929 1.00 1.00 H new ATOM 0 HH12 ARG A 24 68.632 -6.503 -20.359 1.00 1.00 H new ATOM 0 HH21 ARG A 24 69.860 -9.706 -21.033 1.00 1.00 H new ATOM 0 HH22 ARG A 24 69.828 -8.014 -21.540 1.00 1.00 H new ATOM 356 N LYS A 25 68.647 -5.516 -13.563 1.00 1.00 N ATOM 357 CA LYS A 25 68.185 -4.181 -13.091 1.00 1.00 C ATOM 358 C LYS A 25 67.264 -3.558 -14.142 1.00 1.00 C ATOM 359 O LYS A 25 66.068 -3.459 -13.953 1.00 1.00 O ATOM 360 CB LYS A 25 69.397 -3.271 -12.874 1.00 1.00 C ATOM 361 CG LYS A 25 70.392 -3.958 -11.936 1.00 1.00 C ATOM 362 CD LYS A 25 71.726 -3.210 -11.969 1.00 1.00 C ATOM 363 CE LYS A 25 72.373 -3.380 -13.345 1.00 1.00 C ATOM 364 NZ LYS A 25 73.855 -3.423 -13.195 1.00 1.00 N ATOM 0 H LYS A 25 69.659 -5.640 -13.590 1.00 1.00 H new ATOM 0 HA LYS A 25 67.641 -4.295 -12.153 1.00 1.00 H new ATOM 0 HB2 LYS A 25 69.874 -3.050 -13.829 1.00 1.00 H new ATOM 0 HB3 LYS A 25 69.079 -2.319 -12.449 1.00 1.00 H new ATOM 0 HG2 LYS A 25 69.998 -3.975 -10.920 1.00 1.00 H new ATOM 0 HG3 LYS A 25 70.537 -4.995 -12.239 1.00 1.00 H new ATOM 0 HD2 LYS A 25 71.567 -2.152 -11.758 1.00 1.00 H new ATOM 0 HD3 LYS A 25 72.389 -3.593 -11.194 1.00 1.00 H new ATOM 0 HE2 LYS A 25 72.018 -4.297 -13.815 1.00 1.00 H new ATOM 0 HE3 LYS A 25 72.087 -2.555 -13.998 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 74.295 -3.539 -14.130 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 74.186 -2.537 -12.764 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 74.119 -4.224 -12.587 1.00 1.00 H new ATOM 378 N GLY A 26 67.813 -3.137 -15.248 1.00 1.00 N ATOM 379 CA GLY A 26 66.971 -2.519 -16.312 1.00 1.00 C ATOM 380 C GLY A 26 67.848 -2.177 -17.519 1.00 1.00 C ATOM 381 O GLY A 26 68.950 -2.671 -17.653 1.00 1.00 O ATOM 0 H GLY A 26 68.809 -3.194 -15.461 1.00 1.00 H new ATOM 0 HA2 GLY A 26 66.178 -3.205 -16.608 1.00 1.00 H new ATOM 0 HA3 GLY A 26 66.488 -1.618 -15.932 1.00 1.00 H new ATOM 385 N PRO A 27 67.361 -1.334 -18.391 1.00 1.00 N ATOM 386 CA PRO A 27 68.111 -0.916 -19.611 1.00 1.00 C ATOM 387 C PRO A 27 69.541 -0.469 -19.277 1.00 1.00 C ATOM 388 O PRO A 27 69.831 -0.087 -18.161 1.00 1.00 O ATOM 389 CB PRO A 27 67.290 0.257 -20.158 1.00 1.00 C ATOM 390 CG PRO A 27 65.904 0.036 -19.651 1.00 1.00 C ATOM 391 CD PRO A 27 66.040 -0.689 -18.310 1.00 1.00 C ATOM 0 HA PRO A 27 68.223 -1.732 -20.324 1.00 1.00 H new ATOM 0 HB2 PRO A 27 67.688 1.211 -19.812 1.00 1.00 H new ATOM 0 HB3 PRO A 27 67.312 0.278 -21.248 1.00 1.00 H new ATOM 0 HG2 PRO A 27 65.381 0.984 -19.528 1.00 1.00 H new ATOM 0 HG3 PRO A 27 65.324 -0.559 -20.356 1.00 1.00 H new ATOM 0 HD2 PRO A 27 65.985 0.006 -17.472 1.00 1.00 H new ATOM 0 HD3 PRO A 27 65.245 -1.422 -18.169 1.00 1.00 H new ATOM 399 N PRO A 28 70.429 -0.516 -20.238 1.00 1.00 N ATOM 400 CA PRO A 28 71.846 -0.110 -20.039 1.00 1.00 C ATOM 401 C PRO A 28 71.974 1.122 -19.137 1.00 1.00 C ATOM 402 O PRO A 28 71.325 2.127 -19.349 1.00 1.00 O ATOM 403 CB PRO A 28 72.319 0.204 -21.458 1.00 1.00 C ATOM 404 CG PRO A 28 71.505 -0.682 -22.345 1.00 1.00 C ATOM 405 CD PRO A 28 70.182 -0.956 -21.620 1.00 1.00 C ATOM 0 HA PRO A 28 72.433 -0.883 -19.542 1.00 1.00 H new ATOM 0 HB2 PRO A 28 72.164 1.255 -21.702 1.00 1.00 H new ATOM 0 HB3 PRO A 28 73.384 0.004 -21.572 1.00 1.00 H new ATOM 0 HG2 PRO A 28 71.325 -0.202 -23.307 1.00 1.00 H new ATOM 0 HG3 PRO A 28 72.033 -1.614 -22.547 1.00 1.00 H new ATOM 0 HD2 PRO A 28 69.358 -0.404 -22.072 1.00 1.00 H new ATOM 0 HD3 PRO A 28 69.917 -2.013 -21.660 1.00 1.00 H new ATOM 413 N LYS A 29 72.806 1.050 -18.135 1.00 1.00 N ATOM 414 CA LYS A 29 72.976 2.215 -17.221 1.00 1.00 C ATOM 415 C LYS A 29 74.115 1.932 -16.241 1.00 1.00 C ATOM 416 O LYS A 29 73.918 1.334 -15.202 1.00 1.00 O ATOM 417 CB LYS A 29 71.680 2.445 -16.439 1.00 1.00 C ATOM 418 CG LYS A 29 71.866 3.619 -15.476 1.00 1.00 C ATOM 419 CD LYS A 29 70.502 4.069 -14.949 1.00 1.00 C ATOM 420 CE LYS A 29 70.699 5.018 -13.765 1.00 1.00 C ATOM 421 NZ LYS A 29 71.205 4.250 -12.593 1.00 1.00 N ATOM 0 H LYS A 29 73.376 0.235 -17.909 1.00 1.00 H new ATOM 0 HA LYS A 29 73.211 3.104 -17.807 1.00 1.00 H new ATOM 0 HB2 LYS A 29 70.860 2.651 -17.127 1.00 1.00 H new ATOM 0 HB3 LYS A 29 71.413 1.545 -15.885 1.00 1.00 H new ATOM 0 HG2 LYS A 29 72.509 3.324 -14.647 1.00 1.00 H new ATOM 0 HG3 LYS A 29 72.362 4.446 -15.985 1.00 1.00 H new ATOM 0 HD2 LYS A 29 69.942 4.568 -15.739 1.00 1.00 H new ATOM 0 HD3 LYS A 29 69.916 3.203 -14.641 1.00 1.00 H new ATOM 0 HE2 LYS A 29 71.405 5.805 -14.030 1.00 1.00 H new ATOM 0 HE3 LYS A 29 69.757 5.505 -13.515 1.00 1.00 H new ATOM 0 HZ1 LYS A 29 70.978 4.763 -11.717 1.00 1.00 H new ATOM 0 HZ2 LYS A 29 70.755 3.313 -12.572 1.00 1.00 H new ATOM 0 HZ3 LYS A 29 72.236 4.138 -12.671 1.00 1.00 H new ATOM 435 N CYS A 30 75.305 2.357 -16.561 1.00 1.00 N ATOM 436 CA CYS A 30 76.454 2.113 -15.646 1.00 1.00 C ATOM 437 C CYS A 30 77.613 3.037 -16.024 1.00 1.00 C ATOM 438 O CYS A 30 78.111 3.003 -17.132 1.00 1.00 O ATOM 439 CB CYS A 30 76.904 0.656 -15.769 1.00 1.00 C ATOM 440 SG CYS A 30 78.412 0.406 -14.800 1.00 1.00 S ATOM 0 H CYS A 30 75.532 2.863 -17.417 1.00 1.00 H new ATOM 0 HA CYS A 30 76.149 2.314 -14.619 1.00 1.00 H new ATOM 0 HB2 CYS A 30 76.117 -0.010 -15.415 1.00 1.00 H new ATOM 0 HB3 CYS A 30 77.086 0.407 -16.815 1.00 1.00 H new ATOM 445 N LYS A 31 78.044 3.865 -15.112 1.00 1.00 N ATOM 446 CA LYS A 31 79.169 4.793 -15.420 1.00 1.00 C ATOM 447 C LYS A 31 80.299 4.024 -16.107 1.00 1.00 C ATOM 448 O LYS A 31 81.115 3.396 -15.462 1.00 1.00 O ATOM 449 CB LYS A 31 79.695 5.409 -14.120 1.00 1.00 C ATOM 450 CG LYS A 31 78.588 6.225 -13.450 1.00 1.00 C ATOM 451 CD LYS A 31 78.068 5.472 -12.224 1.00 1.00 C ATOM 452 CE LYS A 31 77.062 6.348 -11.475 1.00 1.00 C ATOM 453 NZ LYS A 31 77.786 7.440 -10.766 1.00 1.00 N ATOM 0 H LYS A 31 77.666 3.939 -14.167 1.00 1.00 H new ATOM 0 HA LYS A 31 78.812 5.582 -16.082 1.00 1.00 H new ATOM 0 HB2 LYS A 31 80.039 4.623 -13.447 1.00 1.00 H new ATOM 0 HB3 LYS A 31 80.554 6.047 -14.330 1.00 1.00 H new ATOM 0 HG2 LYS A 31 78.970 7.202 -13.154 1.00 1.00 H new ATOM 0 HG3 LYS A 31 77.775 6.401 -14.154 1.00 1.00 H new ATOM 0 HD2 LYS A 31 77.596 4.539 -12.531 1.00 1.00 H new ATOM 0 HD3 LYS A 31 78.897 5.209 -11.567 1.00 1.00 H new ATOM 0 HE2 LYS A 31 76.340 6.770 -12.174 1.00 1.00 H new ATOM 0 HE3 LYS A 31 76.500 5.746 -10.761 1.00 1.00 H new ATOM 0 HZ1 LYS A 31 77.328 7.622 -9.850 1.00 1.00 H new ATOM 0 HZ2 LYS A 31 78.774 7.156 -10.609 1.00 1.00 H new ATOM 0 HZ3 LYS A 31 77.762 8.305 -11.343 1.00 1.00 H new ATOM 467 N GLN A 32 80.358 4.070 -17.410 1.00 1.00 N ATOM 468 CA GLN A 32 81.442 3.346 -18.129 1.00 1.00 C ATOM 469 C GLN A 32 82.796 3.839 -17.618 1.00 1.00 C ATOM 470 O GLN A 32 83.194 4.958 -17.874 1.00 1.00 O ATOM 471 CB GLN A 32 81.332 3.619 -19.631 1.00 1.00 C ATOM 472 CG GLN A 32 82.392 2.806 -20.377 1.00 1.00 C ATOM 473 CD GLN A 32 82.238 3.026 -21.883 1.00 1.00 C ATOM 474 OE1 GLN A 32 83.005 3.751 -22.484 1.00 1.00 O ATOM 475 NE2 GLN A 32 81.272 2.425 -22.522 1.00 1.00 N ATOM 0 H GLN A 32 79.703 4.577 -18.006 1.00 1.00 H new ATOM 0 HA GLN A 32 81.349 2.275 -17.951 1.00 1.00 H new ATOM 0 HB2 GLN A 32 80.337 3.353 -19.988 1.00 1.00 H new ATOM 0 HB3 GLN A 32 81.468 4.682 -19.829 1.00 1.00 H new ATOM 0 HG2 GLN A 32 83.389 3.106 -20.055 1.00 1.00 H new ATOM 0 HG3 GLN A 32 82.286 1.747 -20.141 1.00 1.00 H new ATOM 0 HE21 GLN A 32 80.628 1.816 -22.017 1.00 1.00 H new ATOM 0 HE22 GLN A 32 81.161 2.564 -23.526 1.00 1.00 H new ATOM 484 N ARG A 33 83.504 3.018 -16.891 1.00 1.00 N ATOM 485 CA ARG A 33 84.828 3.446 -16.358 1.00 1.00 C ATOM 486 C ARG A 33 84.608 4.447 -15.220 1.00 1.00 C ATOM 487 O ARG A 33 83.899 5.423 -15.369 1.00 1.00 O ATOM 488 CB ARG A 33 85.648 4.104 -17.478 1.00 1.00 C ATOM 489 CG ARG A 33 87.136 3.836 -17.247 1.00 1.00 C ATOM 490 CD ARG A 33 87.967 4.744 -18.156 1.00 1.00 C ATOM 491 NE ARG A 33 89.296 4.118 -18.404 1.00 1.00 N ATOM 492 CZ ARG A 33 90.236 4.205 -17.503 1.00 1.00 C ATOM 493 NH1 ARG A 33 90.012 4.842 -16.386 1.00 1.00 N ATOM 494 NH2 ARG A 33 91.400 3.657 -17.720 1.00 1.00 N ATOM 0 H ARG A 33 83.222 2.069 -16.643 1.00 1.00 H new ATOM 0 HA ARG A 33 85.372 2.579 -15.983 1.00 1.00 H new ATOM 0 HB2 ARG A 33 85.343 3.709 -18.447 1.00 1.00 H new ATOM 0 HB3 ARG A 33 85.460 5.177 -17.498 1.00 1.00 H new ATOM 0 HG2 ARG A 33 87.391 4.018 -16.203 1.00 1.00 H new ATOM 0 HG3 ARG A 33 87.364 2.790 -17.454 1.00 1.00 H new ATOM 0 HD2 ARG A 33 87.447 4.905 -19.100 1.00 1.00 H new ATOM 0 HD3 ARG A 33 88.095 5.722 -17.692 1.00 1.00 H new ATOM 0 HE ARG A 33 89.471 3.622 -19.278 1.00 1.00 H new ATOM 0 HH11 ARG A 33 89.102 5.272 -16.217 1.00 1.00 H new ATOM 0 HH12 ARG A 33 90.747 4.910 -15.682 1.00 1.00 H new ATOM 0 HH21 ARG A 33 91.575 3.161 -18.594 1.00 1.00 H new ATOM 0 HH22 ARG A 33 92.135 3.725 -17.016 1.00 1.00 H new ATOM 508 N GLN A 34 85.203 4.211 -14.083 1.00 1.00 N ATOM 509 CA GLN A 34 85.021 5.146 -12.937 1.00 1.00 C ATOM 510 C GLN A 34 85.354 6.573 -13.377 1.00 1.00 C ATOM 511 O GLN A 34 85.578 6.839 -14.541 1.00 1.00 O ATOM 512 CB GLN A 34 85.949 4.736 -11.792 1.00 1.00 C ATOM 513 CG GLN A 34 85.607 3.315 -11.341 1.00 1.00 C ATOM 514 CD GLN A 34 86.731 2.776 -10.454 1.00 1.00 C ATOM 515 OE1 GLN A 34 87.690 2.211 -10.943 1.00 1.00 O ATOM 516 NE2 GLN A 34 86.655 2.927 -9.160 1.00 1.00 N ATOM 0 H GLN A 34 85.808 3.411 -13.898 1.00 1.00 H new ATOM 0 HA GLN A 34 83.985 5.105 -12.600 1.00 1.00 H new ATOM 0 HB2 GLN A 34 86.988 4.785 -12.117 1.00 1.00 H new ATOM 0 HB3 GLN A 34 85.842 5.429 -10.958 1.00 1.00 H new ATOM 0 HG2 GLN A 34 84.665 3.313 -10.793 1.00 1.00 H new ATOM 0 HG3 GLN A 34 85.473 2.669 -12.209 1.00 1.00 H new ATOM 0 HE21 GLN A 34 85.851 3.401 -8.748 1.00 1.00 H new ATOM 0 HE22 GLN A 34 87.400 2.571 -8.560 1.00 1.00 H new ATOM 525 N THR A 35 85.388 7.496 -12.451 1.00 1.00 N ATOM 526 CA THR A 35 85.705 8.910 -12.809 1.00 1.00 C ATOM 527 C THR A 35 86.583 9.527 -11.717 1.00 1.00 C ATOM 528 O THR A 35 86.955 10.682 -11.786 1.00 1.00 O ATOM 529 CB THR A 35 84.404 9.710 -12.926 1.00 1.00 C ATOM 530 OG1 THR A 35 83.635 9.534 -11.745 1.00 1.00 O ATOM 531 CG2 THR A 35 83.607 9.218 -14.135 1.00 1.00 C ATOM 0 H THR A 35 85.209 7.331 -11.460 1.00 1.00 H new ATOM 0 HA THR A 35 86.235 8.934 -13.761 1.00 1.00 H new ATOM 0 HB THR A 35 84.637 10.767 -13.054 1.00 1.00 H new ATOM 0 HG1 THR A 35 83.575 10.386 -11.264 1.00 1.00 H new ATOM 0 HG21 THR A 35 82.682 9.788 -14.217 1.00 1.00 H new ATOM 0 HG22 THR A 35 84.198 9.354 -15.040 1.00 1.00 H new ATOM 0 HG23 THR A 35 83.372 8.161 -14.010 1.00 1.00 H new ATOM 539 N ARG A 36 86.915 8.768 -10.709 1.00 1.00 N ATOM 540 CA ARG A 36 87.768 9.310 -9.613 1.00 1.00 C ATOM 541 C ARG A 36 87.180 10.631 -9.111 1.00 1.00 C ATOM 542 O ARG A 36 87.836 11.394 -8.431 1.00 1.00 O ATOM 543 CB ARG A 36 89.186 9.553 -10.134 1.00 1.00 C ATOM 544 CG ARG A 36 89.627 8.364 -10.990 1.00 1.00 C ATOM 545 CD ARG A 36 91.127 8.468 -11.274 1.00 1.00 C ATOM 546 NE ARG A 36 91.891 7.967 -10.097 1.00 1.00 N ATOM 547 CZ ARG A 36 92.357 8.808 -9.215 1.00 1.00 C ATOM 548 NH1 ARG A 36 92.155 10.089 -9.365 1.00 1.00 N ATOM 549 NH2 ARG A 36 93.026 8.369 -8.184 1.00 1.00 N ATOM 0 H ARG A 36 86.632 7.794 -10.597 1.00 1.00 H new ATOM 0 HA ARG A 36 87.800 8.590 -8.795 1.00 1.00 H new ATOM 0 HB2 ARG A 36 89.216 10.470 -10.723 1.00 1.00 H new ATOM 0 HB3 ARG A 36 89.873 9.688 -9.299 1.00 1.00 H new ATOM 0 HG2 ARG A 36 89.408 7.429 -10.474 1.00 1.00 H new ATOM 0 HG3 ARG A 36 89.069 8.349 -11.926 1.00 1.00 H new ATOM 0 HD2 ARG A 36 91.381 7.887 -12.160 1.00 1.00 H new ATOM 0 HD3 ARG A 36 91.398 9.503 -11.483 1.00 1.00 H new ATOM 0 HE ARG A 36 92.050 6.966 -9.981 1.00 1.00 H new ATOM 0 HH11 ARG A 36 91.633 10.432 -10.171 1.00 1.00 H new ATOM 0 HH12 ARG A 36 92.519 10.747 -8.676 1.00 1.00 H new ATOM 0 HH21 ARG A 36 93.185 7.368 -8.068 1.00 1.00 H new ATOM 0 HH22 ARG A 36 93.390 9.027 -7.495 1.00 1.00 H new ATOM 563 N GLN A 37 85.948 10.907 -9.441 1.00 1.00 N ATOM 564 CA GLN A 37 85.320 12.179 -8.981 1.00 1.00 C ATOM 565 C GLN A 37 83.807 11.986 -8.871 1.00 1.00 C ATOM 566 O GLN A 37 83.096 12.005 -9.856 1.00 1.00 O ATOM 567 CB GLN A 37 85.622 13.293 -9.987 1.00 1.00 C ATOM 568 CG GLN A 37 87.099 13.681 -9.892 1.00 1.00 C ATOM 569 CD GLN A 37 87.339 14.973 -10.676 1.00 1.00 C ATOM 570 OE1 GLN A 37 86.511 15.308 -11.627 1.00 1.00 O flip ATOM 571 NE2 GLN A 37 88.290 15.685 -10.420 1.00 1.00 N flip ATOM 0 H GLN A 37 85.349 10.308 -10.009 1.00 1.00 H new ATOM 0 HA GLN A 37 85.725 12.453 -8.007 1.00 1.00 H new ATOM 0 HB2 GLN A 37 85.387 12.958 -10.997 1.00 1.00 H new ATOM 0 HB3 GLN A 37 84.994 14.160 -9.785 1.00 1.00 H new ATOM 0 HG2 GLN A 37 87.384 13.818 -8.849 1.00 1.00 H new ATOM 0 HG3 GLN A 37 87.723 12.880 -10.290 1.00 1.00 H new ATOM 0 HE21 GLN A 37 88.937 15.423 -9.677 1.00 1.00 H new ATOM 0 HE22 GLN A 37 88.441 16.544 -10.949 1.00 1.00 H new ATOM 580 N CYS A 38 83.310 11.801 -7.680 1.00 1.00 N ATOM 581 CA CYS A 38 81.843 11.606 -7.508 1.00 1.00 C ATOM 582 C CYS A 38 81.108 12.882 -7.933 1.00 1.00 C ATOM 583 O CYS A 38 81.154 13.280 -9.080 1.00 1.00 O ATOM 584 CB CYS A 38 81.541 11.294 -6.039 1.00 1.00 C ATOM 585 SG CYS A 38 79.936 10.467 -5.914 1.00 1.00 S ATOM 0 H CYS A 38 83.856 11.776 -6.819 1.00 1.00 H new ATOM 0 HA CYS A 38 81.506 10.775 -8.127 1.00 1.00 H new ATOM 0 HB2 CYS A 38 82.323 10.658 -5.623 1.00 1.00 H new ATOM 0 HB3 CYS A 38 81.534 12.214 -5.455 1.00 1.00 H new ATOM 590 N LYS A 39 80.432 13.532 -7.024 1.00 1.00 N ATOM 591 CA LYS A 39 79.705 14.781 -7.390 1.00 1.00 C ATOM 592 C LYS A 39 80.717 15.901 -7.642 1.00 1.00 C ATOM 593 O LYS A 39 80.405 17.071 -7.538 1.00 1.00 O ATOM 594 CB LYS A 39 78.769 15.176 -6.240 1.00 1.00 C ATOM 595 CG LYS A 39 77.353 14.679 -6.538 1.00 1.00 C ATOM 596 CD LYS A 39 76.648 15.670 -7.466 1.00 1.00 C ATOM 597 CE LYS A 39 75.141 15.406 -7.446 1.00 1.00 C ATOM 598 NZ LYS A 39 74.538 16.060 -6.250 1.00 1.00 N ATOM 0 H LYS A 39 80.352 13.253 -6.046 1.00 1.00 H new ATOM 0 HA LYS A 39 79.118 14.616 -8.294 1.00 1.00 H new ATOM 0 HB2 LYS A 39 79.126 14.748 -5.303 1.00 1.00 H new ATOM 0 HB3 LYS A 39 78.767 16.259 -6.115 1.00 1.00 H new ATOM 0 HG2 LYS A 39 77.392 13.694 -7.003 1.00 1.00 H new ATOM 0 HG3 LYS A 39 76.791 14.571 -5.610 1.00 1.00 H new ATOM 0 HD2 LYS A 39 76.853 16.692 -7.147 1.00 1.00 H new ATOM 0 HD3 LYS A 39 77.032 15.570 -8.481 1.00 1.00 H new ATOM 0 HE2 LYS A 39 74.681 15.792 -8.356 1.00 1.00 H new ATOM 0 HE3 LYS A 39 74.949 14.333 -7.423 1.00 1.00 H new ATOM 0 HZ1 LYS A 39 73.596 15.657 -6.072 1.00 1.00 H new ATOM 0 HZ2 LYS A 39 75.146 15.898 -5.422 1.00 1.00 H new ATOM 0 HZ3 LYS A 39 74.450 17.082 -6.421 1.00 1.00 H new ATOM 612 N SER A 40 81.927 15.547 -7.971 1.00 1.00 N ATOM 613 CA SER A 40 82.970 16.579 -8.234 1.00 1.00 C ATOM 614 C SER A 40 83.466 17.154 -6.903 1.00 1.00 C ATOM 615 O SER A 40 83.848 18.305 -6.817 1.00 1.00 O ATOM 616 CB SER A 40 82.380 17.700 -9.097 1.00 1.00 C ATOM 617 OG SER A 40 83.386 18.199 -9.967 1.00 1.00 O ATOM 0 H SER A 40 82.241 14.582 -8.070 1.00 1.00 H new ATOM 0 HA SER A 40 83.807 16.124 -8.764 1.00 1.00 H new ATOM 0 HB2 SER A 40 81.536 17.324 -9.675 1.00 1.00 H new ATOM 0 HB3 SER A 40 82.000 18.501 -8.463 1.00 1.00 H new ATOM 0 HG SER A 40 83.013 18.915 -10.522 1.00 1.00 H new ATOM 623 N LYS A 41 83.464 16.361 -5.867 1.00 1.00 N ATOM 624 CA LYS A 41 83.936 16.859 -4.544 1.00 1.00 C ATOM 625 C LYS A 41 85.469 16.815 -4.506 1.00 1.00 C ATOM 626 O LYS A 41 86.084 15.985 -5.145 1.00 1.00 O ATOM 627 CB LYS A 41 83.372 15.960 -3.438 1.00 1.00 C ATOM 628 CG LYS A 41 81.850 16.109 -3.383 1.00 1.00 C ATOM 629 CD LYS A 41 81.492 17.543 -2.985 1.00 1.00 C ATOM 630 CE LYS A 41 80.169 17.544 -2.217 1.00 1.00 C ATOM 631 NZ LYS A 41 79.118 16.877 -3.036 1.00 1.00 N ATOM 0 H LYS A 41 83.156 15.389 -5.879 1.00 1.00 H new ATOM 0 HA LYS A 41 83.596 17.883 -4.391 1.00 1.00 H new ATOM 0 HB2 LYS A 41 83.639 14.921 -3.628 1.00 1.00 H new ATOM 0 HB3 LYS A 41 83.809 16.231 -2.477 1.00 1.00 H new ATOM 0 HG2 LYS A 41 81.415 15.870 -4.354 1.00 1.00 H new ATOM 0 HG3 LYS A 41 81.431 15.405 -2.664 1.00 1.00 H new ATOM 0 HD2 LYS A 41 82.283 17.969 -2.368 1.00 1.00 H new ATOM 0 HD3 LYS A 41 81.409 18.169 -3.874 1.00 1.00 H new ATOM 0 HE2 LYS A 41 80.288 17.025 -1.266 1.00 1.00 H new ATOM 0 HE3 LYS A 41 79.871 18.567 -1.987 1.00 1.00 H new ATOM 0 HZ1 LYS A 41 78.182 17.082 -2.633 1.00 1.00 H new ATOM 0 HZ2 LYS A 41 79.160 17.234 -4.012 1.00 1.00 H new ATOM 0 HZ3 LYS A 41 79.278 15.849 -3.036 1.00 1.00 H new ATOM 645 N PRO A 42 86.083 17.701 -3.761 1.00 1.00 N ATOM 646 CA PRO A 42 87.572 17.754 -3.644 1.00 1.00 C ATOM 647 C PRO A 42 88.146 16.461 -3.052 1.00 1.00 C ATOM 648 O PRO A 42 87.432 15.663 -2.477 1.00 1.00 O ATOM 649 CB PRO A 42 87.836 18.945 -2.708 1.00 1.00 C ATOM 650 CG PRO A 42 86.542 19.207 -2.009 1.00 1.00 C ATOM 651 CD PRO A 42 85.432 18.740 -2.950 1.00 1.00 C ATOM 0 HA PRO A 42 88.050 17.864 -4.617 1.00 1.00 H new ATOM 0 HB2 PRO A 42 88.626 18.714 -1.994 1.00 1.00 H new ATOM 0 HB3 PRO A 42 88.161 19.820 -3.271 1.00 1.00 H new ATOM 0 HG2 PRO A 42 86.498 18.669 -1.062 1.00 1.00 H new ATOM 0 HG3 PRO A 42 86.434 20.267 -1.779 1.00 1.00 H new ATOM 0 HD2 PRO A 42 84.579 18.343 -2.399 1.00 1.00 H new ATOM 0 HD3 PRO A 42 85.060 19.557 -3.568 1.00 1.00 H new ATOM 659 N PRO A 43 89.430 16.259 -3.195 1.00 1.00 N ATOM 660 CA PRO A 43 90.121 15.044 -2.669 1.00 1.00 C ATOM 661 C PRO A 43 89.931 14.879 -1.156 1.00 1.00 C ATOM 662 O PRO A 43 89.715 15.836 -0.440 1.00 1.00 O ATOM 663 CB PRO A 43 91.604 15.273 -3.010 1.00 1.00 C ATOM 664 CG PRO A 43 91.729 16.724 -3.340 1.00 1.00 C ATOM 665 CD PRO A 43 90.366 17.169 -3.869 1.00 1.00 C ATOM 0 HA PRO A 43 89.719 14.132 -3.109 1.00 1.00 H new ATOM 0 HB2 PRO A 43 92.244 15.007 -2.168 1.00 1.00 H new ATOM 0 HB3 PRO A 43 91.911 14.653 -3.852 1.00 1.00 H new ATOM 0 HG2 PRO A 43 92.009 17.300 -2.458 1.00 1.00 H new ATOM 0 HG3 PRO A 43 92.506 16.886 -4.087 1.00 1.00 H new ATOM 0 HD2 PRO A 43 90.160 18.211 -3.625 1.00 1.00 H new ATOM 0 HD3 PRO A 43 90.306 17.078 -4.953 1.00 1.00 H new ATOM 673 N LYS A 44 90.007 13.670 -0.670 1.00 1.00 N ATOM 674 CA LYS A 44 89.831 13.437 0.792 1.00 1.00 C ATOM 675 C LYS A 44 88.488 14.016 1.243 1.00 1.00 C ATOM 676 O LYS A 44 88.421 15.088 1.810 1.00 1.00 O ATOM 677 CB LYS A 44 90.967 14.115 1.562 1.00 1.00 C ATOM 678 CG LYS A 44 92.310 13.709 0.953 1.00 1.00 C ATOM 679 CD LYS A 44 93.431 13.982 1.958 1.00 1.00 C ATOM 680 CE LYS A 44 93.623 12.757 2.854 1.00 1.00 C ATOM 681 NZ LYS A 44 94.671 13.046 3.874 1.00 1.00 N ATOM 0 H LYS A 44 90.184 12.832 -1.224 1.00 1.00 H new ATOM 0 HA LYS A 44 89.850 12.366 0.992 1.00 1.00 H new ATOM 0 HB2 LYS A 44 90.851 15.198 1.524 1.00 1.00 H new ATOM 0 HB3 LYS A 44 90.930 13.828 2.613 1.00 1.00 H new ATOM 0 HG2 LYS A 44 92.296 12.652 0.687 1.00 1.00 H new ATOM 0 HG3 LYS A 44 92.488 14.267 0.034 1.00 1.00 H new ATOM 0 HD2 LYS A 44 94.358 14.210 1.432 1.00 1.00 H new ATOM 0 HD3 LYS A 44 93.186 14.854 2.564 1.00 1.00 H new ATOM 0 HE2 LYS A 44 92.684 12.501 3.345 1.00 1.00 H new ATOM 0 HE3 LYS A 44 93.913 11.895 2.253 1.00 1.00 H new ATOM 0 HZ1 LYS A 44 94.802 12.213 4.483 1.00 1.00 H new ATOM 0 HZ2 LYS A 44 95.568 13.270 3.397 1.00 1.00 H new ATOM 0 HZ3 LYS A 44 94.376 13.857 4.455 1.00 1.00 H new ATOM 695 N LYS A 45 87.419 13.311 0.993 1.00 1.00 N ATOM 696 CA LYS A 45 86.077 13.814 1.404 1.00 1.00 C ATOM 697 C LYS A 45 85.794 13.382 2.845 1.00 1.00 C ATOM 698 O LYS A 45 86.130 14.071 3.787 1.00 1.00 O ATOM 699 CB LYS A 45 85.008 13.231 0.469 1.00 1.00 C ATOM 700 CG LYS A 45 85.451 11.850 -0.018 1.00 1.00 C ATOM 701 CD LYS A 45 86.345 12.005 -1.250 1.00 1.00 C ATOM 702 CE LYS A 45 85.502 11.840 -2.516 1.00 1.00 C ATOM 703 NZ LYS A 45 85.272 10.391 -2.775 1.00 1.00 N ATOM 0 H LYS A 45 87.417 12.407 0.521 1.00 1.00 H new ATOM 0 HA LYS A 45 86.056 14.902 1.342 1.00 1.00 H new ATOM 0 HB2 LYS A 45 84.055 13.155 0.992 1.00 1.00 H new ATOM 0 HB3 LYS A 45 84.853 13.895 -0.381 1.00 1.00 H new ATOM 0 HG2 LYS A 45 85.991 11.330 0.773 1.00 1.00 H new ATOM 0 HG3 LYS A 45 84.580 11.242 -0.262 1.00 1.00 H new ATOM 0 HD2 LYS A 45 86.824 12.984 -1.244 1.00 1.00 H new ATOM 0 HD3 LYS A 45 87.141 11.261 -1.231 1.00 1.00 H new ATOM 0 HE2 LYS A 45 84.549 12.355 -2.400 1.00 1.00 H new ATOM 0 HE3 LYS A 45 86.010 12.296 -3.366 1.00 1.00 H new ATOM 0 HZ1 LYS A 45 84.431 10.275 -3.375 1.00 1.00 H new ATOM 0 HZ2 LYS A 45 86.100 9.989 -3.259 1.00 1.00 H new ATOM 0 HZ3 LYS A 45 85.124 9.896 -1.872 1.00 1.00 H new ATOM 717 N GLY A 46 85.179 12.244 3.023 1.00 1.00 N ATOM 718 CA GLY A 46 84.874 11.766 4.403 1.00 1.00 C ATOM 719 C GLY A 46 85.992 10.839 4.883 1.00 1.00 C ATOM 720 O GLY A 46 86.402 9.931 4.187 1.00 1.00 O ATOM 0 H GLY A 46 84.874 11.624 2.272 1.00 1.00 H new ATOM 0 HA2 GLY A 46 84.776 12.615 5.080 1.00 1.00 H new ATOM 0 HA3 GLY A 46 83.920 11.238 4.414 1.00 1.00 H new ATOM 724 N VAL A 47 86.492 11.062 6.069 1.00 1.00 N ATOM 725 CA VAL A 47 87.585 10.196 6.596 1.00 1.00 C ATOM 726 C VAL A 47 86.981 9.015 7.359 1.00 1.00 C ATOM 727 O VAL A 47 86.993 7.892 6.895 1.00 1.00 O ATOM 728 CB VAL A 47 88.471 11.014 7.538 1.00 1.00 C ATOM 729 CG1 VAL A 47 89.767 10.250 7.813 1.00 1.00 C ATOM 730 CG2 VAL A 47 88.801 12.358 6.886 1.00 1.00 C ATOM 0 H VAL A 47 86.190 11.808 6.696 1.00 1.00 H new ATOM 0 HA VAL A 47 88.184 9.821 5.766 1.00 1.00 H new ATOM 0 HB VAL A 47 87.944 11.183 8.477 1.00 1.00 H new ATOM 0 HG11 VAL A 47 90.398 10.833 8.484 1.00 1.00 H new ATOM 0 HG12 VAL A 47 89.533 9.292 8.276 1.00 1.00 H new ATOM 0 HG13 VAL A 47 90.295 10.080 6.875 1.00 1.00 H new ATOM 0 HG21 VAL A 47 89.432 12.942 7.556 1.00 1.00 H new ATOM 0 HG22 VAL A 47 89.328 12.187 5.947 1.00 1.00 H new ATOM 0 HG23 VAL A 47 87.878 12.904 6.690 1.00 1.00 H new ATOM 740 N GLN A 48 86.451 9.259 8.527 1.00 1.00 N ATOM 741 CA GLN A 48 85.847 8.151 9.319 1.00 1.00 C ATOM 742 C GLN A 48 84.521 7.733 8.675 1.00 1.00 C ATOM 743 O GLN A 48 84.223 8.094 7.554 1.00 1.00 O ATOM 744 CB GLN A 48 85.605 8.634 10.758 1.00 1.00 C ATOM 745 CG GLN A 48 86.604 7.958 11.699 1.00 1.00 C ATOM 746 CD GLN A 48 88.030 8.282 11.249 1.00 1.00 C ATOM 747 OE1 GLN A 48 88.233 9.284 10.438 1.00 1.00 O flip ATOM 748 NE2 GLN A 48 88.969 7.618 11.640 1.00 1.00 N flip ATOM 0 H GLN A 48 86.410 10.178 8.967 1.00 1.00 H new ATOM 0 HA GLN A 48 86.521 7.294 9.336 1.00 1.00 H new ATOM 0 HB2 GLN A 48 85.714 9.717 10.812 1.00 1.00 H new ATOM 0 HB3 GLN A 48 84.585 8.400 11.064 1.00 1.00 H new ATOM 0 HG2 GLN A 48 86.447 8.302 12.721 1.00 1.00 H new ATOM 0 HG3 GLN A 48 86.448 6.879 11.698 1.00 1.00 H new ATOM 0 HE21 GLN A 48 88.811 6.835 12.274 1.00 1.00 H new ATOM 0 HE22 GLN A 48 89.916 7.844 11.334 1.00 1.00 H new ATOM 757 N GLY A 49 83.721 6.976 9.377 1.00 1.00 N ATOM 758 CA GLY A 49 82.416 6.540 8.804 1.00 1.00 C ATOM 759 C GLY A 49 81.525 7.765 8.590 1.00 1.00 C ATOM 760 O GLY A 49 80.626 8.031 9.362 1.00 1.00 O ATOM 0 H GLY A 49 83.915 6.641 10.321 1.00 1.00 H new ATOM 0 HA2 GLY A 49 82.576 6.022 7.858 1.00 1.00 H new ATOM 0 HA3 GLY A 49 81.928 5.834 9.476 1.00 1.00 H new ATOM 764 N CYS A 50 81.772 8.514 7.548 1.00 1.00 N ATOM 765 CA CYS A 50 80.945 9.726 7.281 1.00 1.00 C ATOM 766 C CYS A 50 79.467 9.399 7.531 1.00 1.00 C ATOM 767 O CYS A 50 78.964 9.565 8.624 1.00 1.00 O ATOM 768 CB CYS A 50 81.146 10.177 5.825 1.00 1.00 C ATOM 769 SG CYS A 50 82.401 9.136 5.039 1.00 1.00 S ATOM 0 H CYS A 50 82.513 8.338 6.869 1.00 1.00 H new ATOM 0 HA CYS A 50 81.251 10.533 7.947 1.00 1.00 H new ATOM 0 HB2 CYS A 50 80.206 10.107 5.278 1.00 1.00 H new ATOM 0 HB3 CYS A 50 81.455 11.222 5.796 1.00 1.00 H new ATOM 774 N GLY A 51 78.769 8.924 6.536 1.00 1.00 N ATOM 775 CA GLY A 51 77.333 8.577 6.729 1.00 1.00 C ATOM 776 C GLY A 51 76.501 9.850 6.908 1.00 1.00 C ATOM 777 O GLY A 51 76.077 10.466 5.951 1.00 1.00 O ATOM 0 H GLY A 51 79.132 8.761 5.597 1.00 1.00 H new ATOM 0 HA2 GLY A 51 76.969 8.014 5.870 1.00 1.00 H new ATOM 0 HA3 GLY A 51 77.221 7.935 7.602 1.00 1.00 H new ATOM 781 N ASP A 52 76.254 10.238 8.130 1.00 1.00 N ATOM 782 CA ASP A 52 75.438 11.462 8.381 1.00 1.00 C ATOM 783 C ASP A 52 75.925 12.612 7.495 1.00 1.00 C ATOM 784 O ASP A 52 75.282 13.638 7.390 1.00 1.00 O ATOM 785 CB ASP A 52 75.565 11.863 9.853 1.00 1.00 C ATOM 786 CG ASP A 52 74.434 12.825 10.220 1.00 1.00 C ATOM 787 OD1 ASP A 52 74.495 13.969 9.799 1.00 1.00 O ATOM 788 OD2 ASP A 52 73.525 12.402 10.916 1.00 1.00 O ATOM 0 H ASP A 52 76.583 9.759 8.968 1.00 1.00 H new ATOM 0 HA ASP A 52 74.395 11.250 8.145 1.00 1.00 H new ATOM 0 HB2 ASP A 52 75.523 10.977 10.487 1.00 1.00 H new ATOM 0 HB3 ASP A 52 76.531 12.336 10.030 1.00 1.00 H new ATOM 793 N ASP A 53 77.053 12.456 6.860 1.00 1.00 N ATOM 794 CA ASP A 53 77.570 13.548 5.988 1.00 1.00 C ATOM 795 C ASP A 53 76.558 13.843 4.878 1.00 1.00 C ATOM 796 O ASP A 53 75.466 14.313 5.132 1.00 1.00 O ATOM 797 CB ASP A 53 78.902 13.118 5.369 1.00 1.00 C ATOM 798 CG ASP A 53 80.008 13.209 6.422 1.00 1.00 C ATOM 799 OD1 ASP A 53 79.778 12.761 7.534 1.00 1.00 O ATOM 800 OD2 ASP A 53 81.065 13.726 6.100 1.00 1.00 O ATOM 0 H ASP A 53 77.638 11.622 6.907 1.00 1.00 H new ATOM 0 HA ASP A 53 77.721 14.448 6.584 1.00 1.00 H new ATOM 0 HB2 ASP A 53 78.827 12.098 4.992 1.00 1.00 H new ATOM 0 HB3 ASP A 53 79.142 13.755 4.518 1.00 1.00 H new ATOM 805 N ILE A 54 76.909 13.576 3.649 1.00 1.00 N ATOM 806 CA ILE A 54 75.962 13.849 2.530 1.00 1.00 C ATOM 807 C ILE A 54 74.579 13.277 2.877 1.00 1.00 C ATOM 808 O ILE A 54 74.455 12.116 3.210 1.00 1.00 O ATOM 809 CB ILE A 54 76.479 13.201 1.237 1.00 1.00 C ATOM 810 CG1 ILE A 54 76.972 11.784 1.540 1.00 1.00 C ATOM 811 CG2 ILE A 54 77.634 14.032 0.675 1.00 1.00 C ATOM 812 CD1 ILE A 54 75.802 10.803 1.436 1.00 1.00 C ATOM 0 H ILE A 54 77.808 13.182 3.372 1.00 1.00 H new ATOM 0 HA ILE A 54 75.883 14.926 2.382 1.00 1.00 H new ATOM 0 HB ILE A 54 75.673 13.158 0.505 1.00 1.00 H new ATOM 0 HG12 ILE A 54 77.759 11.504 0.840 1.00 1.00 H new ATOM 0 HG13 ILE A 54 77.406 11.744 2.539 1.00 1.00 H new ATOM 0 HG21 ILE A 54 78.001 13.572 -0.243 1.00 1.00 H new ATOM 0 HG22 ILE A 54 77.285 15.042 0.460 1.00 1.00 H new ATOM 0 HG23 ILE A 54 78.441 14.075 1.407 1.00 1.00 H new ATOM 0 HD11 ILE A 54 76.153 9.794 1.652 1.00 1.00 H new ATOM 0 HD12 ILE A 54 75.030 11.080 2.154 1.00 1.00 H new ATOM 0 HD13 ILE A 54 75.388 10.836 0.428 1.00 1.00 H new ATOM 824 N PRO A 55 73.543 14.080 2.802 1.00 1.00 N ATOM 825 CA PRO A 55 72.158 13.627 3.113 1.00 1.00 C ATOM 826 C PRO A 55 71.519 12.886 1.935 1.00 1.00 C ATOM 827 O PRO A 55 70.419 13.190 1.518 1.00 1.00 O ATOM 828 CB PRO A 55 71.420 14.935 3.391 1.00 1.00 C ATOM 829 CG PRO A 55 72.108 15.944 2.530 1.00 1.00 C ATOM 830 CD PRO A 55 73.571 15.501 2.416 1.00 1.00 C ATOM 0 HA PRO A 55 72.128 12.921 3.943 1.00 1.00 H new ATOM 0 HB2 PRO A 55 70.362 14.855 3.140 1.00 1.00 H new ATOM 0 HB3 PRO A 55 71.478 15.207 4.445 1.00 1.00 H new ATOM 0 HG2 PRO A 55 71.642 15.996 1.546 1.00 1.00 H new ATOM 0 HG3 PRO A 55 72.038 16.939 2.969 1.00 1.00 H new ATOM 0 HD2 PRO A 55 73.950 15.632 1.402 1.00 1.00 H new ATOM 0 HD3 PRO A 55 74.217 16.081 3.075 1.00 1.00 H new ATOM 838 N GLY A 56 72.202 11.917 1.392 1.00 1.00 N ATOM 839 CA GLY A 56 71.633 11.166 0.241 1.00 1.00 C ATOM 840 C GLY A 56 71.230 12.154 -0.853 1.00 1.00 C ATOM 841 O GLY A 56 70.122 12.651 -0.873 1.00 1.00 O ATOM 0 H GLY A 56 73.127 11.614 1.695 1.00 1.00 H new ATOM 0 HA2 GLY A 56 72.366 10.457 -0.144 1.00 1.00 H new ATOM 0 HA3 GLY A 56 70.767 10.587 0.562 1.00 1.00 H new ATOM 845 N MET A 57 72.128 12.446 -1.757 1.00 1.00 N ATOM 846 CA MET A 57 71.814 13.408 -2.858 1.00 1.00 C ATOM 847 C MET A 57 70.361 13.221 -3.314 1.00 1.00 C ATOM 848 O MET A 57 69.733 14.138 -3.803 1.00 1.00 O ATOM 849 CB MET A 57 72.762 13.155 -4.040 1.00 1.00 C ATOM 850 CG MET A 57 73.938 14.131 -3.970 1.00 1.00 C ATOM 851 SD MET A 57 74.816 13.906 -2.403 1.00 1.00 S ATOM 852 CE MET A 57 76.111 12.806 -3.024 1.00 1.00 C ATOM 0 H MET A 57 73.071 12.058 -1.781 1.00 1.00 H new ATOM 0 HA MET A 57 71.945 14.428 -2.496 1.00 1.00 H new ATOM 0 HB2 MET A 57 73.126 12.128 -4.014 1.00 1.00 H new ATOM 0 HB3 MET A 57 72.228 13.280 -4.982 1.00 1.00 H new ATOM 0 HG2 MET A 57 74.616 13.961 -4.807 1.00 1.00 H new ATOM 0 HG3 MET A 57 73.579 15.157 -4.054 1.00 1.00 H new ATOM 0 HE1 MET A 57 76.602 12.313 -2.185 1.00 1.00 H new ATOM 0 HE2 MET A 57 75.668 12.055 -3.678 1.00 1.00 H new ATOM 0 HE3 MET A 57 76.844 13.387 -3.583 1.00 1.00 H new ATOM 862 N GLU A 58 69.823 12.042 -3.153 1.00 1.00 N ATOM 863 CA GLU A 58 68.412 11.798 -3.571 1.00 1.00 C ATOM 864 C GLU A 58 68.292 11.947 -5.090 1.00 1.00 C ATOM 865 O GLU A 58 68.416 13.028 -5.630 1.00 1.00 O ATOM 866 CB GLU A 58 67.494 12.813 -2.878 1.00 1.00 C ATOM 867 CG GLU A 58 66.070 12.257 -2.818 1.00 1.00 C ATOM 868 CD GLU A 58 65.102 13.373 -2.418 1.00 1.00 C ATOM 869 OE1 GLU A 58 65.530 14.279 -1.723 1.00 1.00 O ATOM 870 OE2 GLU A 58 63.950 13.301 -2.813 1.00 1.00 O ATOM 0 H GLU A 58 70.300 11.236 -2.749 1.00 1.00 H new ATOM 0 HA GLU A 58 68.117 10.788 -3.286 1.00 1.00 H new ATOM 0 HB2 GLU A 58 67.858 13.020 -1.871 1.00 1.00 H new ATOM 0 HB3 GLU A 58 67.504 13.758 -3.421 1.00 1.00 H new ATOM 0 HG2 GLU A 58 65.788 11.846 -3.787 1.00 1.00 H new ATOM 0 HG3 GLU A 58 66.017 11.440 -2.098 1.00 1.00 H new ATOM 877 N GLY A 59 68.050 10.867 -5.782 1.00 1.00 N ATOM 878 CA GLY A 59 67.921 10.944 -7.265 1.00 1.00 C ATOM 879 C GLY A 59 67.641 9.548 -7.826 1.00 1.00 C ATOM 880 O GLY A 59 66.588 9.288 -8.374 1.00 1.00 O ATOM 0 H GLY A 59 67.936 9.935 -5.384 1.00 1.00 H new ATOM 0 HA2 GLY A 59 67.114 11.625 -7.536 1.00 1.00 H new ATOM 0 HA3 GLY A 59 68.836 11.346 -7.700 1.00 1.00 H new ATOM 884 N CYS A 60 68.576 8.646 -7.691 1.00 1.00 N ATOM 885 CA CYS A 60 68.366 7.265 -8.214 1.00 1.00 C ATOM 886 C CYS A 60 67.808 6.381 -7.096 1.00 1.00 C ATOM 887 O CYS A 60 66.648 6.019 -7.098 1.00 1.00 O ATOM 888 CB CYS A 60 69.702 6.694 -8.706 1.00 1.00 C ATOM 889 SG CYS A 60 71.055 7.759 -8.148 1.00 1.00 S ATOM 0 H CYS A 60 69.477 8.806 -7.241 1.00 1.00 H new ATOM 0 HA CYS A 60 67.660 7.291 -9.044 1.00 1.00 H new ATOM 0 HB2 CYS A 60 69.840 5.682 -8.324 1.00 1.00 H new ATOM 0 HB3 CYS A 60 69.703 6.627 -9.794 1.00 1.00 H new ATOM 894 N GLY A 61 68.626 6.034 -6.144 1.00 1.00 N ATOM 895 CA GLY A 61 68.149 5.174 -5.024 1.00 1.00 C ATOM 896 C GLY A 61 69.012 5.426 -3.787 1.00 1.00 C ATOM 897 O GLY A 61 69.792 4.587 -3.381 1.00 1.00 O ATOM 0 H GLY A 61 69.607 6.309 -6.092 1.00 1.00 H new ATOM 0 HA2 GLY A 61 67.104 5.392 -4.803 1.00 1.00 H new ATOM 0 HA3 GLY A 61 68.201 4.123 -5.310 1.00 1.00 H new ATOM 901 N THR A 62 68.880 6.576 -3.183 1.00 1.00 N ATOM 902 CA THR A 62 69.695 6.880 -1.973 1.00 1.00 C ATOM 903 C THR A 62 68.942 7.872 -1.084 1.00 1.00 C ATOM 904 O THR A 62 69.494 8.430 -0.157 1.00 1.00 O ATOM 905 CB THR A 62 71.033 7.491 -2.397 1.00 1.00 C ATOM 906 OG1 THR A 62 71.870 7.629 -1.258 1.00 1.00 O ATOM 907 CG2 THR A 62 70.793 8.864 -3.027 1.00 1.00 C ATOM 0 H THR A 62 68.243 7.317 -3.475 1.00 1.00 H new ATOM 0 HA THR A 62 69.875 5.959 -1.418 1.00 1.00 H new ATOM 0 HB THR A 62 71.516 6.840 -3.126 1.00 1.00 H new ATOM 0 HG1 THR A 62 71.772 6.842 -0.683 1.00 1.00 H new ATOM 0 HG21 THR A 62 71.747 9.298 -3.328 1.00 1.00 H new ATOM 0 HG22 THR A 62 70.151 8.756 -3.901 1.00 1.00 H new ATOM 0 HG23 THR A 62 70.310 9.518 -2.301 1.00 1.00 H new ATOM 915 N ASP A 63 67.686 8.096 -1.356 1.00 1.00 N ATOM 916 CA ASP A 63 66.908 9.052 -0.520 1.00 1.00 C ATOM 917 C ASP A 63 67.049 8.665 0.953 1.00 1.00 C ATOM 918 O ASP A 63 66.720 9.428 1.839 1.00 1.00 O ATOM 919 CB ASP A 63 65.431 9.005 -0.922 1.00 1.00 C ATOM 920 CG ASP A 63 64.863 7.617 -0.622 1.00 1.00 C ATOM 921 OD1 ASP A 63 65.525 6.644 -0.946 1.00 1.00 O ATOM 922 OD2 ASP A 63 63.775 7.549 -0.073 1.00 1.00 O ATOM 0 H ASP A 63 67.167 7.660 -2.118 1.00 1.00 H new ATOM 0 HA ASP A 63 67.290 10.062 -0.672 1.00 1.00 H new ATOM 0 HB2 ASP A 63 64.871 9.764 -0.377 1.00 1.00 H new ATOM 0 HB3 ASP A 63 65.325 9.231 -1.983 1.00 1.00 H new ATOM 927 N ILE A 64 67.537 7.481 1.221 1.00 1.00 N ATOM 928 CA ILE A 64 67.699 7.036 2.636 1.00 1.00 C ATOM 929 C ILE A 64 69.179 7.036 3.019 1.00 1.00 C ATOM 930 O ILE A 64 69.565 7.625 4.005 1.00 1.00 O ATOM 931 CB ILE A 64 67.133 5.626 2.799 1.00 1.00 C ATOM 932 CG1 ILE A 64 65.644 5.632 2.447 1.00 1.00 C ATOM 933 CG2 ILE A 64 67.312 5.168 4.248 1.00 1.00 C ATOM 934 CD1 ILE A 64 64.832 6.072 3.668 1.00 1.00 C ATOM 0 H ILE A 64 67.831 6.802 0.518 1.00 1.00 H new ATOM 0 HA ILE A 64 67.160 7.724 3.287 1.00 1.00 H new ATOM 0 HB ILE A 64 67.662 4.943 2.134 1.00 1.00 H new ATOM 0 HG12 ILE A 64 65.460 6.308 1.612 1.00 1.00 H new ATOM 0 HG13 ILE A 64 65.331 4.638 2.128 1.00 1.00 H new ATOM 0 HG21 ILE A 64 66.908 4.162 4.364 1.00 1.00 H new ATOM 0 HG22 ILE A 64 68.372 5.165 4.500 1.00 1.00 H new ATOM 0 HG23 ILE A 64 66.783 5.850 4.913 1.00 1.00 H new ATOM 0 HD11 ILE A 64 63.771 6.076 3.417 1.00 1.00 H new ATOM 0 HD12 ILE A 64 65.008 5.379 4.491 1.00 1.00 H new ATOM 0 HD13 ILE A 64 65.138 7.075 3.967 1.00 1.00 H new ATOM 946 N THR A 65 70.005 6.373 2.258 1.00 1.00 N ATOM 947 CA THR A 65 71.458 6.325 2.591 1.00 1.00 C ATOM 948 C THR A 65 71.640 5.595 3.918 1.00 1.00 C ATOM 949 O THR A 65 72.208 4.522 3.975 1.00 1.00 O ATOM 950 CB THR A 65 72.020 7.741 2.719 1.00 1.00 C ATOM 951 OG1 THR A 65 71.610 8.514 1.600 1.00 1.00 O ATOM 952 CG2 THR A 65 73.548 7.683 2.770 1.00 1.00 C ATOM 0 H THR A 65 69.737 5.861 1.418 1.00 1.00 H new ATOM 0 HA THR A 65 71.989 5.802 1.795 1.00 1.00 H new ATOM 0 HB THR A 65 71.646 8.200 3.634 1.00 1.00 H new ATOM 0 HG1 THR A 65 71.722 7.988 0.781 1.00 1.00 H new ATOM 0 HG21 THR A 65 73.948 8.693 2.861 1.00 1.00 H new ATOM 0 HG22 THR A 65 73.861 7.090 3.629 1.00 1.00 H new ATOM 0 HG23 THR A 65 73.925 7.225 1.856 1.00 1.00 H new ATOM 960 N VAL A 66 71.158 6.165 4.990 1.00 1.00 N ATOM 961 CA VAL A 66 71.301 5.494 6.309 1.00 1.00 C ATOM 962 C VAL A 66 70.879 4.033 6.160 1.00 1.00 C ATOM 963 O VAL A 66 71.709 3.151 6.057 1.00 1.00 O ATOM 964 CB VAL A 66 70.418 6.197 7.352 1.00 1.00 C ATOM 965 CG1 VAL A 66 71.068 6.084 8.732 1.00 1.00 C ATOM 966 CG2 VAL A 66 70.269 7.674 6.980 1.00 1.00 C ATOM 0 H VAL A 66 70.674 7.063 5.007 1.00 1.00 H new ATOM 0 HA VAL A 66 72.337 5.546 6.644 1.00 1.00 H new ATOM 0 HB VAL A 66 69.436 5.725 7.373 1.00 1.00 H new ATOM 0 HG11 VAL A 66 70.441 6.583 9.471 1.00 1.00 H new ATOM 0 HG12 VAL A 66 71.176 5.033 8.998 1.00 1.00 H new ATOM 0 HG13 VAL A 66 72.050 6.556 8.711 1.00 1.00 H new ATOM 0 HG21 VAL A 66 69.643 8.174 7.719 1.00 1.00 H new ATOM 0 HG22 VAL A 66 71.252 8.145 6.959 1.00 1.00 H new ATOM 0 HG23 VAL A 66 69.806 7.757 5.997 1.00 1.00 H new ATOM 976 N ILE A 67 69.598 3.766 6.128 1.00 1.00 N ATOM 977 CA ILE A 67 69.142 2.353 5.964 1.00 1.00 C ATOM 978 C ILE A 67 67.999 2.275 4.948 1.00 1.00 C ATOM 979 O ILE A 67 66.837 2.308 5.302 1.00 1.00 O ATOM 980 CB ILE A 67 68.645 1.807 7.306 1.00 1.00 C ATOM 981 CG1 ILE A 67 69.799 1.801 8.311 1.00 1.00 C ATOM 982 CG2 ILE A 67 68.127 0.380 7.117 1.00 1.00 C ATOM 983 CD1 ILE A 67 69.428 2.661 9.520 1.00 1.00 C ATOM 0 H ILE A 67 68.854 4.459 6.208 1.00 1.00 H new ATOM 0 HA ILE A 67 69.985 1.760 5.609 1.00 1.00 H new ATOM 0 HB ILE A 67 67.839 2.439 7.679 1.00 1.00 H new ATOM 0 HG12 ILE A 67 70.013 0.781 8.629 1.00 1.00 H new ATOM 0 HG13 ILE A 67 70.705 2.185 7.843 1.00 1.00 H new ATOM 0 HG21 ILE A 67 67.773 -0.008 8.072 1.00 1.00 H new ATOM 0 HG22 ILE A 67 67.306 0.383 6.400 1.00 1.00 H new ATOM 0 HG23 ILE A 67 68.932 -0.253 6.744 1.00 1.00 H new ATOM 0 HD11 ILE A 67 70.250 2.657 10.236 1.00 1.00 H new ATOM 0 HD12 ILE A 67 69.236 3.683 9.194 1.00 1.00 H new ATOM 0 HD13 ILE A 67 68.533 2.257 9.993 1.00 1.00 H new ATOM 995 N CYS A 68 68.320 2.137 3.693 1.00 1.00 N ATOM 996 CA CYS A 68 67.259 2.018 2.653 1.00 1.00 C ATOM 997 C CYS A 68 66.578 0.653 2.793 1.00 1.00 C ATOM 998 O CYS A 68 67.150 -0.279 3.323 1.00 1.00 O ATOM 999 CB CYS A 68 67.900 2.128 1.264 1.00 1.00 C ATOM 1000 SG CYS A 68 69.652 1.687 1.376 1.00 1.00 S ATOM 0 H CYS A 68 69.276 2.101 3.340 1.00 1.00 H new ATOM 0 HA CYS A 68 66.523 2.812 2.778 1.00 1.00 H new ATOM 0 HB2 CYS A 68 67.391 1.467 0.563 1.00 1.00 H new ATOM 0 HB3 CYS A 68 67.793 3.143 0.881 1.00 1.00 H new ATOM 1005 N PRO A 69 65.369 0.525 2.315 1.00 1.00 N ATOM 1006 CA PRO A 69 64.621 -0.762 2.389 1.00 1.00 C ATOM 1007 C PRO A 69 65.254 -1.831 1.493 1.00 1.00 C ATOM 1008 O PRO A 69 65.469 -2.952 1.909 1.00 1.00 O ATOM 1009 CB PRO A 69 63.209 -0.404 1.907 1.00 1.00 C ATOM 1010 CG PRO A 69 63.366 0.844 1.101 1.00 1.00 C ATOM 1011 CD PRO A 69 64.586 1.582 1.656 1.00 1.00 C ATOM 0 HA PRO A 69 64.626 -1.185 3.394 1.00 1.00 H new ATOM 0 HB2 PRO A 69 62.784 -1.208 1.306 1.00 1.00 H new ATOM 0 HB3 PRO A 69 62.536 -0.245 2.749 1.00 1.00 H new ATOM 0 HG2 PRO A 69 63.505 0.607 0.046 1.00 1.00 H new ATOM 0 HG3 PRO A 69 62.473 1.465 1.173 1.00 1.00 H new ATOM 0 HD2 PRO A 69 65.156 2.065 0.862 1.00 1.00 H new ATOM 0 HD3 PRO A 69 64.295 2.362 2.360 1.00 1.00 H new ATOM 1019 N TRP A 70 65.572 -1.490 0.272 1.00 1.00 N ATOM 1020 CA TRP A 70 66.208 -2.492 -0.628 1.00 1.00 C ATOM 1021 C TRP A 70 67.584 -2.852 -0.063 1.00 1.00 C ATOM 1022 O TRP A 70 68.348 -3.578 -0.667 1.00 1.00 O ATOM 1023 CB TRP A 70 66.358 -1.913 -2.043 1.00 1.00 C ATOM 1024 CG TRP A 70 66.514 -0.428 -1.964 1.00 1.00 C ATOM 1025 CD1 TRP A 70 67.673 0.218 -1.701 1.00 1.00 C ATOM 1026 CD2 TRP A 70 65.501 0.605 -2.143 1.00 1.00 C ATOM 1027 NE1 TRP A 70 67.438 1.580 -1.708 1.00 1.00 N ATOM 1028 CE2 TRP A 70 66.115 1.870 -1.975 1.00 1.00 C ATOM 1029 CE3 TRP A 70 64.126 0.568 -2.432 1.00 1.00 C ATOM 1030 CZ2 TRP A 70 65.387 3.057 -2.090 1.00 1.00 C ATOM 1031 CZ3 TRP A 70 63.392 1.758 -2.548 1.00 1.00 C ATOM 1032 CH2 TRP A 70 64.019 2.999 -2.378 1.00 1.00 C ATOM 0 H TRP A 70 65.420 -0.568 -0.137 1.00 1.00 H new ATOM 0 HA TRP A 70 65.584 -3.384 -0.685 1.00 1.00 H new ATOM 0 HB2 TRP A 70 67.224 -2.354 -2.537 1.00 1.00 H new ATOM 0 HB3 TRP A 70 65.485 -2.165 -2.645 1.00 1.00 H new ATOM 0 HD1 TRP A 70 68.627 -0.254 -1.516 1.00 1.00 H new ATOM 0 HE1 TRP A 70 68.155 2.285 -1.537 1.00 1.00 H new ATOM 0 HE3 TRP A 70 63.631 -0.383 -2.566 1.00 1.00 H new ATOM 0 HZ2 TRP A 70 65.876 4.011 -1.958 1.00 1.00 H new ATOM 0 HZ3 TRP A 70 62.336 1.717 -2.770 1.00 1.00 H new ATOM 0 HH2 TRP A 70 63.447 3.910 -2.469 1.00 1.00 H new ATOM 1043 N GLU A 71 67.899 -2.346 1.099 1.00 1.00 N ATOM 1044 CA GLU A 71 69.216 -2.648 1.721 1.00 1.00 C ATOM 1045 C GLU A 71 69.120 -2.358 3.223 1.00 1.00 C ATOM 1046 O GLU A 71 69.290 -1.240 3.668 1.00 1.00 O ATOM 1047 CB GLU A 71 70.297 -1.778 1.057 1.00 1.00 C ATOM 1048 CG GLU A 71 71.448 -1.540 2.036 1.00 1.00 C ATOM 1049 CD GLU A 71 71.847 -2.866 2.687 1.00 1.00 C ATOM 1050 OE1 GLU A 71 71.660 -3.893 2.056 1.00 1.00 O ATOM 1051 OE2 GLU A 71 72.332 -2.831 3.806 1.00 1.00 O ATOM 0 H GLU A 71 67.295 -1.733 1.646 1.00 1.00 H new ATOM 0 HA GLU A 71 69.484 -3.695 1.579 1.00 1.00 H new ATOM 0 HB2 GLU A 71 70.669 -2.268 0.157 1.00 1.00 H new ATOM 0 HB3 GLU A 71 69.869 -0.825 0.747 1.00 1.00 H new ATOM 0 HG2 GLU A 71 72.301 -1.108 1.513 1.00 1.00 H new ATOM 0 HG3 GLU A 71 71.147 -0.823 2.800 1.00 1.00 H new ATOM 1058 N ALA A 72 68.828 -3.361 4.005 1.00 1.00 N ATOM 1059 CA ALA A 72 68.705 -3.154 5.474 1.00 1.00 C ATOM 1060 C ALA A 72 70.100 -3.062 6.096 1.00 1.00 C ATOM 1061 O ALA A 72 70.568 -3.981 6.739 1.00 1.00 O ATOM 1062 CB ALA A 72 67.943 -4.330 6.086 1.00 1.00 C ATOM 0 H ALA A 72 68.669 -4.317 3.688 1.00 1.00 H new ATOM 0 HA ALA A 72 68.164 -2.229 5.671 1.00 1.00 H new ATOM 0 HB1 ALA A 72 67.850 -4.183 7.162 1.00 1.00 H new ATOM 0 HB2 ALA A 72 66.950 -4.391 5.641 1.00 1.00 H new ATOM 0 HB3 ALA A 72 68.485 -5.255 5.892 1.00 1.00 H new ATOM 1068 N CYS A 73 70.768 -1.958 5.906 1.00 1.00 N ATOM 1069 CA CYS A 73 72.135 -1.800 6.479 1.00 1.00 C ATOM 1070 C CYS A 73 72.059 -1.837 8.007 1.00 1.00 C ATOM 1071 O CYS A 73 73.034 -2.109 8.679 1.00 1.00 O ATOM 1072 CB CYS A 73 72.719 -0.461 6.027 1.00 1.00 C ATOM 1073 SG CYS A 73 74.346 -0.226 6.784 1.00 1.00 S ATOM 0 H CYS A 73 70.425 -1.156 5.377 1.00 1.00 H new ATOM 0 HA CYS A 73 72.773 -2.613 6.132 1.00 1.00 H new ATOM 0 HB2 CYS A 73 72.805 -0.438 4.941 1.00 1.00 H new ATOM 0 HB3 CYS A 73 72.053 0.353 6.312 1.00 1.00 H new ATOM 1078 N ASN A 74 70.910 -1.564 8.563 1.00 1.00 N ATOM 1079 CA ASN A 74 70.777 -1.582 10.049 1.00 1.00 C ATOM 1080 C ASN A 74 71.426 -2.851 10.609 1.00 1.00 C ATOM 1081 O ASN A 74 71.686 -2.953 11.791 1.00 1.00 O ATOM 1082 CB ASN A 74 69.294 -1.558 10.431 1.00 1.00 C ATOM 1083 CG ASN A 74 69.150 -1.785 11.937 1.00 1.00 C ATOM 1084 OD1 ASN A 74 69.244 -2.901 12.407 1.00 1.00 O ATOM 1085 ND2 ASN A 74 68.926 -0.765 12.720 1.00 1.00 N ATOM 0 H ASN A 74 70.058 -1.329 8.054 1.00 1.00 H new ATOM 0 HA ASN A 74 71.275 -0.706 10.465 1.00 1.00 H new ATOM 0 HB2 ASN A 74 68.852 -0.601 10.153 1.00 1.00 H new ATOM 0 HB3 ASN A 74 68.754 -2.330 9.883 1.00 1.00 H new ATOM 0 HD21 ASN A 74 68.830 -0.905 13.726 1.00 1.00 H new ATOM 0 HD22 ASN A 74 68.847 0.173 12.326 1.00 1.00 H new ATOM 1092 N HIS A 75 71.685 -3.820 9.770 1.00 1.00 N ATOM 1093 CA HIS A 75 72.314 -5.085 10.254 1.00 1.00 C ATOM 1094 C HIS A 75 73.781 -5.136 9.822 1.00 1.00 C ATOM 1095 O HIS A 75 74.661 -5.390 10.620 1.00 1.00 O ATOM 1096 CB HIS A 75 71.571 -6.284 9.660 1.00 1.00 C ATOM 1097 CG HIS A 75 72.002 -7.540 10.365 1.00 1.00 C ATOM 1098 ND1 HIS A 75 72.325 -8.701 9.677 1.00 1.00 N ATOM 1099 CD2 HIS A 75 72.169 -7.835 11.697 1.00 1.00 C ATOM 1100 CE1 HIS A 75 72.666 -9.631 10.586 1.00 1.00 C ATOM 1101 NE2 HIS A 75 72.588 -9.155 11.830 1.00 1.00 N ATOM 0 H HIS A 75 71.488 -3.790 8.770 1.00 1.00 H new ATOM 0 HA HIS A 75 72.257 -5.118 11.342 1.00 1.00 H new ATOM 0 HB2 HIS A 75 70.495 -6.147 9.764 1.00 1.00 H new ATOM 0 HB3 HIS A 75 71.780 -6.363 8.593 1.00 1.00 H new ATOM 0 HD2 HIS A 75 72.001 -7.149 12.514 1.00 1.00 H new ATOM 0 HE1 HIS A 75 72.966 -10.639 10.340 1.00 1.00 H new ATOM 0 HE2 HIS A 75 72.792 -9.654 12.696 1.00 1.00 H new ATOM 1110 N CYS A 76 74.054 -4.904 8.567 1.00 1.00 N ATOM 1111 CA CYS A 76 75.468 -4.952 8.099 1.00 1.00 C ATOM 1112 C CYS A 76 76.240 -3.762 8.679 1.00 1.00 C ATOM 1113 O CYS A 76 77.351 -3.476 8.280 1.00 1.00 O ATOM 1114 CB CYS A 76 75.505 -4.907 6.565 1.00 1.00 C ATOM 1115 SG CYS A 76 76.215 -6.448 5.935 1.00 1.00 S ATOM 0 H CYS A 76 73.363 -4.685 7.849 1.00 1.00 H new ATOM 0 HA CYS A 76 75.933 -5.878 8.438 1.00 1.00 H new ATOM 0 HB2 CYS A 76 74.499 -4.769 6.170 1.00 1.00 H new ATOM 0 HB3 CYS A 76 76.098 -4.056 6.229 1.00 1.00 H new ATOM 1120 N GLU A 77 75.664 -3.079 9.633 1.00 1.00 N ATOM 1121 CA GLU A 77 76.370 -1.922 10.257 1.00 1.00 C ATOM 1122 C GLU A 77 77.502 -2.459 11.141 1.00 1.00 C ATOM 1123 O GLU A 77 77.870 -3.613 11.053 1.00 1.00 O ATOM 1124 CB GLU A 77 75.378 -1.119 11.115 1.00 1.00 C ATOM 1125 CG GLU A 77 74.853 0.072 10.311 1.00 1.00 C ATOM 1126 CD GLU A 77 73.934 0.919 11.194 1.00 1.00 C ATOM 1127 OE1 GLU A 77 73.574 0.451 12.261 1.00 1.00 O ATOM 1128 OE2 GLU A 77 73.607 2.022 10.787 1.00 1.00 O ATOM 0 H GLU A 77 74.735 -3.273 10.007 1.00 1.00 H new ATOM 0 HA GLU A 77 76.780 -1.271 9.485 1.00 1.00 H new ATOM 0 HB2 GLU A 77 74.549 -1.756 11.424 1.00 1.00 H new ATOM 0 HB3 GLU A 77 75.867 -0.770 12.024 1.00 1.00 H new ATOM 0 HG2 GLU A 77 75.686 0.676 9.950 1.00 1.00 H new ATOM 0 HG3 GLU A 77 74.310 -0.279 9.434 1.00 1.00 H new ATOM 1135 N LEU A 78 78.048 -1.635 11.996 1.00 1.00 N ATOM 1136 CA LEU A 78 79.149 -2.101 12.891 1.00 1.00 C ATOM 1137 C LEU A 78 80.271 -2.722 12.054 1.00 1.00 C ATOM 1138 O LEU A 78 81.277 -2.095 11.787 1.00 1.00 O ATOM 1139 CB LEU A 78 78.601 -3.145 13.872 1.00 1.00 C ATOM 1140 CG LEU A 78 77.938 -2.439 15.056 1.00 1.00 C ATOM 1141 CD1 LEU A 78 76.864 -3.347 15.657 1.00 1.00 C ATOM 1142 CD2 LEU A 78 78.994 -2.127 16.119 1.00 1.00 C ATOM 0 H LEU A 78 77.779 -0.658 12.114 1.00 1.00 H new ATOM 0 HA LEU A 78 79.546 -1.251 13.447 1.00 1.00 H new ATOM 0 HB2 LEU A 78 77.879 -3.788 13.369 1.00 1.00 H new ATOM 0 HB3 LEU A 78 79.409 -3.787 14.224 1.00 1.00 H new ATOM 0 HG LEU A 78 77.479 -1.511 14.714 1.00 1.00 H new ATOM 0 HD11 LEU A 78 76.392 -2.843 16.501 1.00 1.00 H new ATOM 0 HD12 LEU A 78 76.112 -3.571 14.901 1.00 1.00 H new ATOM 0 HD13 LEU A 78 77.322 -4.275 15.999 1.00 1.00 H new ATOM 0 HD21 LEU A 78 78.523 -1.624 16.963 1.00 1.00 H new ATOM 0 HD22 LEU A 78 79.453 -3.055 16.460 1.00 1.00 H new ATOM 0 HD23 LEU A 78 79.760 -1.479 15.692 1.00 1.00 H new ATOM 1154 N HIS A 79 80.106 -3.951 11.643 1.00 1.00 N ATOM 1155 CA HIS A 79 81.158 -4.622 10.825 1.00 1.00 C ATOM 1156 C HIS A 79 81.694 -3.648 9.770 1.00 1.00 C ATOM 1157 O HIS A 79 80.952 -2.887 9.183 1.00 1.00 O ATOM 1158 CB HIS A 79 80.552 -5.842 10.129 1.00 1.00 C ATOM 1159 CG HIS A 79 80.005 -6.788 11.162 1.00 1.00 C ATOM 1160 ND1 HIS A 79 80.306 -6.666 12.510 1.00 1.00 N ATOM 1161 CD2 HIS A 79 79.174 -7.878 11.060 1.00 1.00 C ATOM 1162 CE1 HIS A 79 79.668 -7.655 13.161 1.00 1.00 C ATOM 1163 NE2 HIS A 79 78.965 -8.420 12.324 1.00 1.00 N ATOM 0 H HIS A 79 79.284 -4.522 11.840 1.00 1.00 H new ATOM 0 HA HIS A 79 81.976 -4.935 11.473 1.00 1.00 H new ATOM 0 HB2 HIS A 79 79.759 -5.530 9.450 1.00 1.00 H new ATOM 0 HB3 HIS A 79 81.309 -6.343 9.526 1.00 1.00 H new ATOM 0 HD2 HIS A 79 78.749 -8.255 10.141 1.00 1.00 H new ATOM 0 HE1 HIS A 79 79.718 -7.811 14.229 1.00 1.00 H new ATOM 0 HE2 HIS A 79 78.394 -9.232 12.561 1.00 1.00 H new ATOM 1172 N GLU A 80 82.979 -3.667 9.527 1.00 1.00 N ATOM 1173 CA GLU A 80 83.566 -2.742 8.512 1.00 1.00 C ATOM 1174 C GLU A 80 83.848 -3.511 7.219 1.00 1.00 C ATOM 1175 O GLU A 80 83.037 -3.541 6.315 1.00 1.00 O ATOM 1176 CB GLU A 80 84.874 -2.159 9.053 1.00 1.00 C ATOM 1177 CG GLU A 80 84.591 -1.375 10.336 1.00 1.00 C ATOM 1178 CD GLU A 80 83.911 -0.050 9.986 1.00 1.00 C ATOM 1179 OE1 GLU A 80 84.620 0.891 9.670 1.00 1.00 O ATOM 1180 OE2 GLU A 80 82.694 0.001 10.041 1.00 1.00 O ATOM 0 H GLU A 80 83.648 -4.284 9.988 1.00 1.00 H new ATOM 0 HA GLU A 80 82.863 -1.935 8.307 1.00 1.00 H new ATOM 0 HB2 GLU A 80 85.586 -2.960 9.253 1.00 1.00 H new ATOM 0 HB3 GLU A 80 85.329 -1.506 8.308 1.00 1.00 H new ATOM 0 HG2 GLU A 80 83.953 -1.960 10.998 1.00 1.00 H new ATOM 0 HG3 GLU A 80 85.521 -1.188 10.873 1.00 1.00 H new ATOM 1187 N LEU A 81 84.992 -4.132 7.122 1.00 1.00 N ATOM 1188 CA LEU A 81 85.323 -4.896 5.885 1.00 1.00 C ATOM 1189 C LEU A 81 84.606 -6.247 5.915 1.00 1.00 C ATOM 1190 O LEU A 81 84.244 -6.792 4.890 1.00 1.00 O ATOM 1191 CB LEU A 81 86.838 -5.124 5.812 1.00 1.00 C ATOM 1192 CG LEU A 81 87.376 -5.469 7.202 1.00 1.00 C ATOM 1193 CD1 LEU A 81 88.512 -6.485 7.073 1.00 1.00 C ATOM 1194 CD2 LEU A 81 87.902 -4.199 7.873 1.00 1.00 C ATOM 0 H LEU A 81 85.711 -4.144 7.845 1.00 1.00 H new ATOM 0 HA LEU A 81 84.999 -4.330 5.012 1.00 1.00 H new ATOM 0 HB2 LEU A 81 87.061 -5.932 5.115 1.00 1.00 H new ATOM 0 HB3 LEU A 81 87.332 -4.230 5.432 1.00 1.00 H new ATOM 0 HG LEU A 81 86.575 -5.896 7.806 1.00 1.00 H new ATOM 0 HD11 LEU A 81 88.895 -6.730 8.064 1.00 1.00 H new ATOM 0 HD12 LEU A 81 88.138 -7.390 6.594 1.00 1.00 H new ATOM 0 HD13 LEU A 81 89.314 -6.060 6.469 1.00 1.00 H new ATOM 0 HD21 LEU A 81 88.286 -4.443 8.864 1.00 1.00 H new ATOM 0 HD22 LEU A 81 88.703 -3.773 7.268 1.00 1.00 H new ATOM 0 HD23 LEU A 81 87.093 -3.475 7.966 1.00 1.00 H new ATOM 1206 N ALA A 82 84.402 -6.794 7.080 1.00 1.00 N ATOM 1207 CA ALA A 82 83.713 -8.110 7.172 1.00 1.00 C ATOM 1208 C ALA A 82 82.343 -8.019 6.495 1.00 1.00 C ATOM 1209 O ALA A 82 82.237 -8.071 5.286 1.00 1.00 O ATOM 1210 CB ALA A 82 83.536 -8.491 8.643 1.00 1.00 C ATOM 0 H ALA A 82 84.683 -6.387 7.972 1.00 1.00 H new ATOM 0 HA ALA A 82 84.312 -8.870 6.671 1.00 1.00 H new ATOM 0 HB1 ALA A 82 83.031 -9.455 8.711 1.00 1.00 H new ATOM 0 HB2 ALA A 82 84.513 -8.558 9.122 1.00 1.00 H new ATOM 0 HB3 ALA A 82 82.937 -7.732 9.146 1.00 1.00 H new ATOM 1216 N GLN A 83 81.293 -7.892 7.262 1.00 1.00 N ATOM 1217 CA GLN A 83 79.932 -7.806 6.656 1.00 1.00 C ATOM 1218 C GLN A 83 79.724 -8.994 5.719 1.00 1.00 C ATOM 1219 O GLN A 83 78.746 -9.067 5.002 1.00 1.00 O ATOM 1220 CB GLN A 83 79.807 -6.513 5.845 1.00 1.00 C ATOM 1221 CG GLN A 83 79.950 -5.308 6.777 1.00 1.00 C ATOM 1222 CD GLN A 83 80.164 -4.042 5.945 1.00 1.00 C ATOM 1223 OE1 GLN A 83 79.773 -4.019 4.700 1.00 1.00 O flip ATOM 1224 NE2 GLN A 83 80.693 -3.063 6.433 1.00 1.00 N flip ATOM 0 H GLN A 83 81.319 -7.844 8.281 1.00 1.00 H new ATOM 0 HA GLN A 83 79.185 -7.816 7.449 1.00 1.00 H new ATOM 0 HB2 GLN A 83 80.575 -6.481 5.072 1.00 1.00 H new ATOM 0 HB3 GLN A 83 78.843 -6.481 5.338 1.00 1.00 H new ATOM 0 HG2 GLN A 83 79.057 -5.204 7.394 1.00 1.00 H new ATOM 0 HG3 GLN A 83 80.790 -5.457 7.455 1.00 1.00 H new ATOM 0 HE21 GLN A 83 80.999 -3.080 7.406 1.00 1.00 H new ATOM 0 HE22 GLN A 83 80.831 -2.224 5.870 1.00 1.00 H new ATOM 1233 N TYR A 84 80.645 -9.918 5.709 1.00 1.00 N ATOM 1234 CA TYR A 84 80.519 -11.098 4.809 1.00 1.00 C ATOM 1235 C TYR A 84 80.105 -10.622 3.409 1.00 1.00 C ATOM 1236 O TYR A 84 79.718 -11.399 2.562 1.00 1.00 O ATOM 1237 CB TYR A 84 79.497 -12.090 5.400 1.00 1.00 C ATOM 1238 CG TYR A 84 78.143 -11.875 4.767 1.00 1.00 C ATOM 1239 CD1 TYR A 84 77.818 -12.526 3.571 1.00 1.00 C ATOM 1240 CD2 TYR A 84 77.213 -11.024 5.376 1.00 1.00 C ATOM 1241 CE1 TYR A 84 76.563 -12.326 2.984 1.00 1.00 C ATOM 1242 CE2 TYR A 84 75.958 -10.825 4.790 1.00 1.00 C ATOM 1243 CZ TYR A 84 75.632 -11.476 3.594 1.00 1.00 C ATOM 1244 OH TYR A 84 74.395 -11.279 3.015 1.00 1.00 O ATOM 0 H TYR A 84 81.484 -9.906 6.289 1.00 1.00 H new ATOM 0 HA TYR A 84 81.475 -11.615 4.724 1.00 1.00 H new ATOM 0 HB2 TYR A 84 79.830 -13.114 5.228 1.00 1.00 H new ATOM 0 HB3 TYR A 84 79.429 -11.955 6.479 1.00 1.00 H new ATOM 0 HD1 TYR A 84 78.535 -13.182 3.101 1.00 1.00 H new ATOM 0 HD2 TYR A 84 77.464 -10.521 6.298 1.00 1.00 H new ATOM 0 HE1 TYR A 84 76.313 -12.827 2.061 1.00 1.00 H new ATOM 0 HE2 TYR A 84 75.241 -10.169 5.260 1.00 1.00 H new ATOM 0 HH TYR A 84 73.870 -10.662 3.567 1.00 1.00 H new ATOM 1254 N GLY A 85 80.203 -9.341 3.160 1.00 1.00 N ATOM 1255 CA GLY A 85 79.830 -8.797 1.821 1.00 1.00 C ATOM 1256 C GLY A 85 80.848 -7.734 1.400 1.00 1.00 C ATOM 1257 O GLY A 85 80.515 -6.783 0.720 1.00 1.00 O ATOM 0 H GLY A 85 80.527 -8.645 3.831 1.00 1.00 H new ATOM 0 HA2 GLY A 85 79.802 -9.601 1.085 1.00 1.00 H new ATOM 0 HA3 GLY A 85 78.830 -8.364 1.858 1.00 1.00 H new ATOM 1261 N ILE A 86 82.086 -7.889 1.798 1.00 1.00 N ATOM 1262 CA ILE A 86 83.136 -6.892 1.424 1.00 1.00 C ATOM 1263 C ILE A 86 82.553 -5.480 1.520 1.00 1.00 C ATOM 1264 O ILE A 86 81.650 -5.228 2.293 1.00 1.00 O ATOM 1265 CB ILE A 86 83.630 -7.186 -0.006 1.00 1.00 C ATOM 1266 CG1 ILE A 86 84.829 -6.289 -0.324 1.00 1.00 C ATOM 1267 CG2 ILE A 86 82.505 -6.904 -1.004 1.00 1.00 C ATOM 1268 CD1 ILE A 86 85.853 -7.077 -1.143 1.00 1.00 C ATOM 0 H ILE A 86 82.416 -8.667 2.369 1.00 1.00 H new ATOM 0 HA ILE A 86 83.983 -6.964 2.107 1.00 1.00 H new ATOM 0 HB ILE A 86 83.927 -8.232 -0.080 1.00 1.00 H new ATOM 0 HG12 ILE A 86 84.502 -5.410 -0.880 1.00 1.00 H new ATOM 0 HG13 ILE A 86 85.284 -5.931 0.600 1.00 1.00 H new ATOM 0 HG21 ILE A 86 82.855 -7.112 -2.015 1.00 1.00 H new ATOM 0 HG22 ILE A 86 81.650 -7.541 -0.778 1.00 1.00 H new ATOM 0 HG23 ILE A 86 82.208 -5.858 -0.931 1.00 1.00 H new ATOM 0 HD11 ILE A 86 86.707 -6.438 -1.370 1.00 1.00 H new ATOM 0 HD12 ILE A 86 86.188 -7.942 -0.571 1.00 1.00 H new ATOM 0 HD13 ILE A 86 85.394 -7.413 -2.073 1.00 1.00 H new ATOM 1280 N CYS A 87 83.054 -4.556 0.750 1.00 1.00 N ATOM 1281 CA CYS A 87 82.514 -3.169 0.812 1.00 1.00 C ATOM 1282 C CYS A 87 80.996 -3.209 0.621 1.00 1.00 C ATOM 1283 CB CYS A 87 83.142 -2.324 -0.298 1.00 1.00 C ATOM 1284 SG CYS A 87 83.084 -3.235 -1.861 1.00 1.00 S ATOM 0 H CYS A 87 83.812 -4.700 0.082 1.00 1.00 H new ATOM 0 HA CYS A 87 82.752 -2.729 1.781 1.00 1.00 H new ATOM 0 HB2 CYS A 87 82.608 -1.379 -0.396 1.00 1.00 H new ATOM 0 HB3 CYS A 87 84.174 -2.082 -0.045 1.00 1.00 H new TER 1289 CYS A 87 HETATM 1290 C1C RCY A 110 62.545 -12.739 8.425 1.00 1.00 C HETATM 1291 O1G RCY A 110 61.826 -8.589 10.837 1.00 1.00 O HETATM 1292 O1H RCY A 110 60.559 -13.094 11.468 1.00 1.00 O HETATM 1293 O1J RCY A 110 62.083 -11.723 5.628 1.00 1.00 O HETATM 1294 C1L RCY A 110 61.651 -10.018 12.815 1.00 1.00 C HETATM 1295 C1M RCY A 110 60.332 -9.773 8.428 1.00 1.00 C HETATM 1296 C1P RCY A 110 61.529 -9.679 11.324 1.00 1.00 C HETATM 1297 C1Q RCY A 110 60.692 -11.880 11.613 1.00 1.00 C HETATM 1298 N1R RCY A 110 60.992 -10.862 10.520 1.00 1.00 N HETATM 1299 C1S RCY A 110 60.588 -11.118 12.921 1.00 1.00 C HETATM 1300 C1U RCY A 110 60.800 -10.999 9.008 1.00 1.00 C HETATM 1301 C1V RCY A 110 63.213 -10.307 8.677 1.00 1.00 C HETATM 1302 N1V RCY A 110 61.670 -11.013 6.835 1.00 1.00 N HETATM 1303 C1W RCY A 110 60.703 -9.835 6.941 1.00 1.00 C HETATM 1304 C1X RCY A 110 62.107 -11.282 8.268 1.00 1.00 C HETATM 1305 C1Y RCY A 110 61.389 -8.538 6.503 1.00 1.00 C HETATM 1306 C1Z RCY A 110 59.476 -10.115 6.074 1.00 1.00 C HETATM 0 H1ZB RCY A 110 59.037 -11.070 6.362 1.00 1.00 H new HETATM 0 H1ZA RCY A 110 58.742 -9.322 6.215 1.00 1.00 H new HETATM 0 H1MA RCY A 110 59.255 -9.668 8.556 1.00 1.00 H new HETATM 0 H1LA RCY A 110 62.647 -10.372 13.082 1.00 1.00 H new HETATM 0 H1CB RCY A 110 62.695 -12.962 9.481 1.00 1.00 H new HETATM 0 H1CA RCY A 110 61.775 -13.396 8.021 1.00 1.00 H new HETATM 0 H1Z RCY A 110 59.772 -10.153 5.026 1.00 1.00 H new HETATM 0 H1Y RCY A 110 61.645 -8.601 5.445 1.00 1.00 H new HETATM 0 H1U RCY A 110 60.092 -11.820 8.900 1.00 1.00 H new HETATM 0 H1S RCY A 110 59.592 -10.695 13.055 1.00 1.00 H new HETATM 0 H1M RCY A 110 60.796 -8.912 8.910 1.00 1.00 H new HETATM 0 H1L RCY A 110 61.434 -9.164 13.456 1.00 1.00 H new HETATM 0 H1C RCY A 110 63.478 -12.899 7.884 1.00 1.00 H new HETATM 1309 C1C RCY A 121 63.872 -7.759 -3.361 1.00 1.00 C HETATM 1310 O1G RCY A 121 61.681 -8.724 -7.761 1.00 1.00 O HETATM 1311 O1H RCY A 121 65.993 -8.866 -5.842 1.00 1.00 O HETATM 1312 O1J RCY A 121 62.215 -5.363 -2.597 1.00 1.00 O HETATM 1313 C1L RCY A 121 63.581 -10.242 -8.023 1.00 1.00 C HETATM 1314 C1M RCY A 121 62.349 -6.180 -6.341 1.00 1.00 C HETATM 1315 C1P RCY A 121 62.842 -9.013 -7.478 1.00 1.00 C HETATM 1316 C1Q RCY A 121 65.061 -8.925 -6.642 1.00 1.00 C HETATM 1317 N1R RCY A 121 63.728 -8.194 -6.541 1.00 1.00 N HETATM 1318 C1S RCY A 121 65.027 -9.746 -7.918 1.00 1.00 C HETATM 1319 C1U RCY A 121 63.378 -6.957 -5.711 1.00 1.00 C HETATM 1320 C1V RCY A 121 61.659 -8.330 -4.457 1.00 1.00 C HETATM 1321 N1V RCY A 121 62.236 -5.951 -3.933 1.00 1.00 N HETATM 1322 C1W RCY A 121 61.707 -5.341 -5.230 1.00 1.00 C HETATM 1323 C1X RCY A 121 62.791 -7.307 -4.344 1.00 1.00 C HETATM 1324 C1Y RCY A 121 60.180 -5.448 -5.288 1.00 1.00 C HETATM 1325 C1Z RCY A 121 62.147 -3.879 -5.312 1.00 1.00 C HETATM 0 H1ZB RCY A 121 63.230 -3.819 -5.209 1.00 1.00 H new HETATM 0 H1ZA RCY A 121 61.850 -3.463 -6.275 1.00 1.00 H new HETATM 0 H1YB RCY A 121 59.826 -5.086 -6.253 1.00 1.00 H new HETATM 0 H1YA RCY A 121 59.883 -6.489 -5.160 1.00 1.00 H new HETATM 0 H1VB RCY A 121 62.061 -9.281 -4.806 1.00 1.00 H new HETATM 0 H1VA RCY A 121 61.195 -8.469 -3.480 1.00 1.00 H new HETATM 0 H1MA RCY A 121 62.765 -5.541 -7.120 1.00 1.00 H new HETATM 0 H1LA RCY A 121 63.402 -11.136 -7.425 1.00 1.00 H new HETATM 0 H1CB RCY A 121 64.375 -8.643 -3.754 1.00 1.00 H new HETATM 0 H1CA RCY A 121 64.599 -6.958 -3.226 1.00 1.00 H new HETATM 0 H1Z RCY A 121 61.674 -3.311 -4.511 1.00 1.00 H new HETATM 0 H1Y RCY A 121 59.743 -4.846 -4.492 1.00 1.00 H new HETATM 0 H1V RCY A 121 60.913 -7.970 -5.165 1.00 1.00 H new HETATM 0 H1U RCY A 121 64.322 -6.420 -5.617 1.00 1.00 H new HETATM 0 H1S RCY A 121 65.303 -9.144 -8.784 1.00 1.00 H new HETATM 0 H1M RCY A 121 61.611 -6.825 -6.818 1.00 1.00 H new HETATM 0 H1L RCY A 121 63.295 -10.481 -9.047 1.00 1.00 H new HETATM 0 H1C RCY A 121 63.414 -7.999 -2.401 1.00 1.00 H new HETATM 1328 C1C RCY A 130 79.188 1.267 -9.165 1.00 1.00 C HETATM 1329 O1G RCY A 130 76.703 4.718 -12.587 1.00 1.00 O HETATM 1330 O1H RCY A 130 79.146 0.734 -11.908 1.00 1.00 O HETATM 1331 O1J RCY A 130 78.700 2.814 -6.627 1.00 1.00 O HETATM 1332 C1L RCY A 130 77.159 2.771 -13.998 1.00 1.00 C HETATM 1333 C1M RCY A 130 77.658 4.560 -9.878 1.00 1.00 C HETATM 1334 C1P RCY A 130 77.266 3.634 -12.734 1.00 1.00 C HETATM 1335 C1Q RCY A 130 78.669 1.747 -12.416 1.00 1.00 C HETATM 1336 N1R RCY A 130 78.159 2.980 -11.681 1.00 1.00 N HETATM 1337 C1S RCY A 130 78.479 1.999 -13.901 1.00 1.00 C HETATM 1338 C1U RCY A 130 78.468 3.437 -10.254 1.00 1.00 C HETATM 1339 C1V RCY A 130 76.723 1.814 -9.396 1.00 1.00 C HETATM 1340 N1V RCY A 130 78.201 3.215 -7.939 1.00 1.00 N HETATM 1341 C1W RCY A 130 77.629 4.573 -8.345 1.00 1.00 C HETATM 1342 C1X RCY A 130 78.134 2.375 -9.207 1.00 1.00 C HETATM 1343 C1Y RCY A 130 76.193 4.723 -7.835 1.00 1.00 C HETATM 1344 C1Z RCY A 130 78.520 5.680 -7.781 1.00 1.00 C HETATM 0 H1ZB RCY A 130 79.548 5.521 -8.106 1.00 1.00 H new HETATM 0 H1ZA RCY A 130 78.171 6.647 -8.142 1.00 1.00 H new HETATM 0 H1YA RCY A 130 75.591 3.888 -8.192 1.00 1.00 H new HETATM 0 H1VB RCY A 130 76.674 1.261 -10.334 1.00 1.00 H new HETATM 0 H1VA RCY A 130 76.483 1.146 -8.568 1.00 1.00 H new HETATM 0 H1MA RCY A 130 78.075 5.489 -10.267 1.00 1.00 H new HETATM 0 H1LA RCY A 130 76.289 2.114 -13.983 1.00 1.00 H new HETATM 0 H1CB RCY A 130 79.244 0.781 -10.139 1.00 1.00 H new HETATM 0 H1CA RCY A 130 80.159 1.697 -8.918 1.00 1.00 H new HETATM 0 H1Z RCY A 130 78.477 5.662 -6.692 1.00 1.00 H new HETATM 0 H1V RCY A 130 76.006 2.634 -9.420 1.00 1.00 H new HETATM 0 H1U RCY A 130 79.534 3.665 -10.270 1.00 1.00 H new HETATM 0 H1S RCY A 130 79.307 2.576 -14.314 1.00 1.00 H new HETATM 0 H1M RCY A 130 76.651 4.468 -10.286 1.00 1.00 H new HETATM 0 H1L RCY A 130 77.091 3.369 -14.907 1.00 1.00 H new HETATM 0 H1C RCY A 130 78.914 0.532 -8.408 1.00 1.00 H new HETATM 1347 C1C RCY A 138 78.928 5.224 -3.249 1.00 1.00 C HETATM 1348 O1G RCY A 138 83.162 6.468 -5.954 1.00 1.00 O HETATM 1349 O1H RCY A 138 79.694 8.609 -3.569 1.00 1.00 O HETATM 1350 O1J RCY A 138 79.798 3.839 -0.721 1.00 1.00 O HETATM 1351 C1L RCY A 138 81.953 8.570 -6.282 1.00 1.00 C HETATM 1352 C1M RCY A 138 82.453 6.007 -2.441 1.00 1.00 C HETATM 1353 C1P RCY A 138 82.274 7.239 -5.591 1.00 1.00 C HETATM 1354 C1Q RCY A 138 80.400 8.173 -4.477 1.00 1.00 C HETATM 1355 N1R RCY A 138 81.355 6.989 -4.397 1.00 1.00 N HETATM 1356 C1S RCY A 138 80.479 8.720 -5.891 1.00 1.00 C HETATM 1357 C1U RCY A 138 81.378 5.848 -3.378 1.00 1.00 C HETATM 1358 C1V RCY A 138 79.811 7.182 -1.903 1.00 1.00 C HETATM 1359 N1V RCY A 138 80.589 4.853 -1.412 1.00 1.00 N HETATM 1360 C1W RCY A 138 82.064 5.190 -1.202 1.00 1.00 C HETATM 1361 C1X RCY A 138 80.127 5.810 -2.502 1.00 1.00 C HETATM 1362 C1Y RCY A 138 82.248 6.021 0.071 1.00 1.00 C HETATM 1363 C1Z RCY A 138 82.867 3.892 -1.119 1.00 1.00 C HETATM 0 H1ZB RCY A 138 82.676 3.289 -2.006 1.00 1.00 H new HETATM 0 H1ZA RCY A 138 83.930 4.125 -1.061 1.00 1.00 H new HETATM 0 H1YB RCY A 138 83.291 6.323 0.161 1.00 1.00 H new HETATM 0 H1YA RCY A 138 81.617 6.908 0.021 1.00 1.00 H new HETATM 0 H1VA RCY A 138 78.983 7.090 -1.200 1.00 1.00 H new HETATM 0 H1MA RCY A 138 83.393 5.651 -2.863 1.00 1.00 H new HETATM 0 H1LA RCY A 138 82.568 9.391 -5.913 1.00 1.00 H new HETATM 0 H1CB RCY A 138 78.713 5.834 -4.126 1.00 1.00 H new HETATM 0 H1CA RCY A 138 79.157 4.205 -3.562 1.00 1.00 H new HETATM 0 H1Z RCY A 138 82.568 3.336 -0.231 1.00 1.00 H new HETATM 0 H1Y RCY A 138 81.967 5.424 0.939 1.00 1.00 H new HETATM 0 H1U RCY A 138 81.470 4.947 -3.985 1.00 1.00 H new HETATM 0 H1S RCY A 138 79.831 8.164 -6.568 1.00 1.00 H new HETATM 0 H1M RCY A 138 82.595 7.057 -2.186 1.00 1.00 H new HETATM 0 H1L RCY A 138 82.096 8.525 -7.362 1.00 1.00 H new HETATM 0 H1C RCY A 138 78.059 5.215 -2.591 1.00 1.00 H new HETATM 1366 C1C RCY A 150 82.567 7.823 -1.047 1.00 1.00 C HETATM 1367 O1G RCY A 150 84.193 10.186 0.339 1.00 1.00 O HETATM 1368 O1H RCY A 150 80.394 8.881 2.821 1.00 1.00 O HETATM 1369 O1J RCY A 150 80.396 6.107 0.139 1.00 1.00 O HETATM 1370 C1L RCY A 150 83.840 9.641 2.698 1.00 1.00 C HETATM 1371 C1M RCY A 150 79.691 9.875 0.050 1.00 1.00 C HETATM 1372 C1P RCY A 150 83.418 9.874 1.242 1.00 1.00 C HETATM 1373 C1Q RCY A 150 81.445 9.419 2.479 1.00 1.00 C HETATM 1374 N1R RCY A 150 81.916 9.671 1.052 1.00 1.00 N HETATM 1375 C1S RCY A 150 82.519 9.957 3.408 1.00 1.00 C HETATM 1376 C1U RCY A 150 81.087 9.709 -0.234 1.00 1.00 C HETATM 1377 C1V RCY A 150 80.568 8.551 -2.425 1.00 1.00 C HETATM 1378 N1V RCY A 150 80.243 7.527 -0.162 1.00 1.00 N HETATM 1379 C1W RCY A 150 79.137 8.469 0.311 1.00 1.00 C HETATM 1380 C1X RCY A 150 81.151 8.400 -1.018 1.00 1.00 C HETATM 1381 C1Y RCY A 150 77.856 8.237 -0.494 1.00 1.00 C HETATM 1382 C1Z RCY A 150 78.887 8.238 1.801 1.00 1.00 C HETATM 0 H1ZB RCY A 150 79.823 8.349 2.348 1.00 1.00 H new HETATM 0 H1ZA RCY A 150 78.165 8.968 2.166 1.00 1.00 H new HETATM 0 H1YB RCY A 150 77.105 8.972 -0.203 1.00 1.00 H new HETATM 0 H1YA RCY A 150 78.071 8.340 -1.558 1.00 1.00 H new HETATM 0 H1VB RCY A 150 81.198 9.221 -3.010 1.00 1.00 H new HETATM 0 H1MA RCY A 150 79.544 10.518 0.917 1.00 1.00 H new HETATM 0 H1LA RCY A 150 84.176 8.620 2.877 1.00 1.00 H new HETATM 0 H1CB RCY A 150 83.241 8.537 -1.519 1.00 1.00 H new HETATM 0 H1CA RCY A 150 82.901 7.628 -0.028 1.00 1.00 H new HETATM 0 H1Z RCY A 150 78.495 7.232 1.952 1.00 1.00 H new HETATM 0 H1Y RCY A 150 77.478 7.234 -0.295 1.00 1.00 H new HETATM 0 H1U RCY A 150 81.509 10.538 -0.802 1.00 1.00 H new HETATM 0 H1S RCY A 150 82.403 11.029 3.570 1.00 1.00 H new HETATM 0 H1M RCY A 150 79.177 10.347 -0.787 1.00 1.00 H new HETATM 0 H1L RCY A 150 84.649 10.302 3.009 1.00 1.00 H new HETATM 0 H1C RCY A 150 82.569 6.892 -1.614 1.00 1.00 H new HETATM 1385 C1C RCY A 160 74.142 2.422 -5.664 1.00 1.00 C HETATM 1386 O1G RCY A 160 75.677 5.776 -7.096 1.00 1.00 O HETATM 1387 O1H RCY A 160 71.258 6.322 -5.520 1.00 1.00 O HETATM 1388 O1J RCY A 160 73.907 1.528 -2.798 1.00 1.00 O HETATM 1389 C1L RCY A 160 73.736 7.003 -7.942 1.00 1.00 C HETATM 1390 C1M RCY A 160 73.369 5.271 -3.433 1.00 1.00 C HETATM 1391 C1P RCY A 160 74.490 6.079 -6.978 1.00 1.00 C HETATM 1392 C1Q RCY A 160 72.232 6.157 -6.253 1.00 1.00 C HETATM 1393 N1R RCY A 160 73.585 5.581 -5.852 1.00 1.00 N HETATM 1394 C1S RCY A 160 72.307 6.491 -7.732 1.00 1.00 C HETATM 1395 C1U RCY A 160 73.935 4.725 -4.633 1.00 1.00 C HETATM 1396 C1V RCY A 160 71.858 3.339 -5.056 1.00 1.00 C HETATM 1397 N1V RCY A 160 73.549 2.862 -3.271 1.00 1.00 N HETATM 1398 C1W RCY A 160 73.291 4.112 -2.432 1.00 1.00 C HETATM 1399 C1X RCY A 160 73.348 3.317 -4.710 1.00 1.00 C HETATM 1400 C1Y RCY A 160 71.903 4.048 -1.788 1.00 1.00 C HETATM 1401 C1Z RCY A 160 74.377 4.228 -1.361 1.00 1.00 C HETATM 0 H1ZA RCY A 160 74.253 5.164 -0.817 1.00 1.00 H new HETATM 0 H1YA RCY A 160 71.150 3.897 -2.561 1.00 1.00 H new HETATM 0 H1VB RCY A 160 71.725 3.718 -6.069 1.00 1.00 H new HETATM 0 H1VA RCY A 160 71.454 2.329 -4.991 1.00 1.00 H new HETATM 0 H1MA RCY A 160 73.987 6.080 -3.044 1.00 1.00 H new HETATM 0 H1LA RCY A 160 73.845 8.056 -7.682 1.00 1.00 H new HETATM 0 H1CB RCY A 160 74.128 2.854 -6.665 1.00 1.00 H new HETATM 0 H1CA RCY A 160 75.172 2.344 -5.317 1.00 1.00 H new HETATM 0 H1V RCY A 160 71.331 3.986 -4.355 1.00 1.00 H new HETATM 0 H1S RCY A 160 72.106 5.614 -8.347 1.00 1.00 H new HETATM 0 H1M RCY A 160 72.380 5.688 -3.624 1.00 1.00 H new HETATM 0 H1L RCY A 160 74.071 6.893 -8.973 1.00 1.00 H new HETATM 0 H1C RCY A 160 73.692 1.429 -5.691 1.00 1.00 H new HETATM 1404 C1C RCY A 168 72.740 4.876 -3.620 1.00 1.00 C HETATM 1405 O1G RCY A 168 71.954 6.065 -0.016 1.00 1.00 O HETATM 1406 O1H RCY A 168 72.157 1.353 -0.244 1.00 1.00 O HETATM 1407 O1J RCY A 168 75.329 3.939 -4.840 1.00 1.00 O HETATM 1408 C1L RCY A 168 70.618 4.280 0.993 1.00 1.00 C HETATM 1409 C1M RCY A 168 74.703 2.864 -1.213 1.00 1.00 C HETATM 1410 C1P RCY A 168 71.724 4.863 0.104 1.00 1.00 C HETATM 1411 C1Q RCY A 168 71.743 2.510 -0.204 1.00 1.00 C HETATM 1412 N1R RCY A 168 72.505 3.764 -0.615 1.00 1.00 N HETATM 1413 C1S RCY A 168 70.370 2.954 0.267 1.00 1.00 C HETATM 1414 C1U RCY A 168 73.736 3.880 -1.516 1.00 1.00 C HETATM 1415 C1V RCY A 168 72.596 2.379 -3.206 1.00 1.00 C HETATM 1416 N1V RCY A 168 74.818 3.480 -3.552 1.00 1.00 N HETATM 1417 C1W RCY A 168 75.575 2.717 -2.466 1.00 1.00 C HETATM 1418 C1X RCY A 168 73.414 3.654 -2.992 1.00 1.00 C HETATM 1419 C1Y RCY A 168 75.720 1.242 -2.851 1.00 1.00 C HETATM 1420 C1Z RCY A 168 76.947 3.359 -2.267 1.00 1.00 C HETATM 0 H1ZB RCY A 168 76.824 4.421 -2.053 1.00 1.00 H new HETATM 0 H1ZA RCY A 168 77.456 2.877 -1.432 1.00 1.00 H new HETATM 0 H1VB RCY A 168 71.612 2.497 -2.752 1.00 1.00 H new HETATM 0 H1LA RCY A 168 70.943 4.137 2.024 1.00 1.00 H new HETATM 0 H1CB RCY A 168 71.808 5.087 -3.095 1.00 1.00 H new HETATM 0 H1Y RCY A 168 76.342 1.158 -3.742 1.00 1.00 H new HETATM 0 H1S RCY A 168 69.686 3.084 -0.572 1.00 1.00 H new HETATM 0 H1M RCY A 168 74.214 1.922 -0.966 1.00 1.00 H new HETATM 0 H1L RCY A 168 69.730 4.912 1.023 1.00 1.00 H new HETATM 1423 C1C RCY A 173 77.970 -0.246 0.966 1.00 1.00 C HETATM 1424 O1G RCY A 173 78.238 1.528 3.923 1.00 1.00 O HETATM 1425 O1H RCY A 173 75.830 -2.320 5.227 1.00 1.00 O HETATM 1426 O1J RCY A 173 78.999 -2.799 -0.254 1.00 1.00 O HETATM 1427 C1L RCY A 173 76.430 1.147 5.528 1.00 1.00 C HETATM 1428 C1M RCY A 173 78.160 -2.950 3.485 1.00 1.00 C HETATM 1429 C1P RCY A 173 77.436 0.751 4.439 1.00 1.00 C HETATM 1430 C1Q RCY A 173 76.122 -1.167 4.911 1.00 1.00 C HETATM 1431 N1R RCY A 173 77.317 -0.728 4.075 1.00 1.00 N HETATM 1432 C1S RCY A 173 75.351 0.086 5.286 1.00 1.00 C HETATM 1433 C1U RCY A 173 78.172 -1.562 3.119 1.00 1.00 C HETATM 1434 C1V RCY A 173 76.144 -1.872 1.635 1.00 1.00 C HETATM 1435 N1V RCY A 173 78.445 -2.702 1.093 1.00 1.00 N HETATM 1436 C1W RCY A 173 78.542 -3.728 2.220 1.00 1.00 C HETATM 1437 C1X RCY A 173 77.640 -1.554 1.687 1.00 1.00 C HETATM 1438 C1Y RCY A 173 77.563 -4.881 1.980 1.00 1.00 C HETATM 1439 C1Z RCY A 173 79.977 -4.249 2.300 1.00 1.00 C HETATM 0 H1ZB RCY A 173 80.663 -3.409 2.411 1.00 1.00 H new HETATM 0 H1ZA RCY A 173 80.075 -4.914 3.158 1.00 1.00 H new HETATM 0 H1LA RCY A 173 76.855 1.089 6.530 1.00 1.00 H new HETATM 0 H1CA RCY A 173 79.051 -0.113 0.930 1.00 1.00 H new HETATM 0 H1Z RCY A 173 80.217 -4.796 1.388 1.00 1.00 H new HETATM 0 H1U RCY A 173 79.163 -1.111 3.181 1.00 1.00 H new HETATM 0 H1S RCY A 173 74.671 0.387 4.489 1.00 1.00 H new HETATM 0 H1L RCY A 173 76.054 2.162 5.400 1.00 1.00 H new HETATM 0 H1C RCY A 173 77.575 -0.280 -0.049 1.00 1.00 H new HETATM 1442 C1C RCY A 176 74.263 -3.506 1.973 1.00 1.00 C HETATM 1443 O1G RCY A 176 78.216 -6.309 1.204 1.00 1.00 O HETATM 1444 O1H RCY A 176 75.453 -4.051 4.298 1.00 1.00 O HETATM 1445 O1J RCY A 176 75.128 -1.446 3.992 1.00 1.00 O HETATM 1446 C1L RCY A 176 77.387 -6.876 3.436 1.00 1.00 C HETATM 1447 C1M RCY A 176 77.805 -2.555 1.480 1.00 1.00 C HETATM 1448 C1P RCY A 176 77.577 -5.983 2.203 1.00 1.00 C HETATM 1449 C1Q RCY A 176 76.354 -4.725 3.801 1.00 1.00 C HETATM 1450 N1R RCY A 176 76.873 -4.637 2.371 1.00 1.00 N HETATM 1451 C1S RCY A 176 77.157 -5.803 4.505 1.00 1.00 C HETATM 1452 C1U RCY A 176 76.722 -3.490 1.370 1.00 1.00 C HETATM 1453 C1V RCY A 176 75.186 -1.698 0.455 1.00 1.00 C HETATM 1454 N1V RCY A 176 75.930 -1.851 2.841 1.00 1.00 N HETATM 1455 C1W RCY A 176 77.412 -1.575 2.591 1.00 1.00 C HETATM 1456 C1X RCY A 176 75.476 -2.643 1.622 1.00 1.00 C HETATM 1457 C1Y RCY A 176 77.616 -0.129 2.131 1.00 1.00 C HETATM 1458 C1Z RCY A 176 78.195 -1.848 3.876 1.00 1.00 C HETATM 0 H1VB RCY A 176 74.916 -2.280 -0.426 1.00 1.00 H new HETATM 0 H1VA RCY A 176 74.362 -1.036 0.719 1.00 1.00 H new HETATM 0 H1LA RCY A 176 76.538 -7.552 3.334 1.00 1.00 H new HETATM 0 H1CB RCY A 176 74.051 -4.188 1.150 1.00 1.00 H new HETATM 0 H1CA RCY A 176 74.474 -4.080 2.875 1.00 1.00 H new HETATM 0 H1Y RCY A 176 77.332 0.552 2.933 1.00 1.00 H new HETATM 0 H1U RCY A 176 76.681 -3.984 0.399 1.00 1.00 H new HETATM 0 H1S RCY A 176 78.101 -5.411 4.882 1.00 1.00 H new HETATM 0 H1L RCY A 176 78.262 -7.492 3.644 1.00 1.00 H new HETATM 0 H1C RCY A 176 73.398 -2.865 2.145 1.00 1.00 H new HETATM 1461 C1C RCY A 187 79.633 0.822 -3.998 1.00 1.00 C HETATM 1462 O1G RCY A 187 78.034 -3.445 -0.934 1.00 1.00 O HETATM 1463 O1H RCY A 187 81.551 -0.754 -2.573 1.00 1.00 O HETATM 1464 O1J RCY A 187 77.461 2.824 -3.410 1.00 1.00 O HETATM 1465 C1L RCY A 187 80.459 -3.748 -1.052 1.00 1.00 C HETATM 1466 C1M RCY A 187 77.416 -0.367 -1.284 1.00 1.00 C HETATM 1467 C1P RCY A 187 79.131 -3.017 -1.288 1.00 1.00 C HETATM 1468 C1Q RCY A 187 80.837 -1.719 -2.306 1.00 1.00 C HETATM 1469 N1R RCY A 187 79.341 -1.691 -2.017 1.00 1.00 N HETATM 1470 C1S RCY A 187 81.287 -3.165 -2.203 1.00 1.00 C HETATM 1471 C1U RCY A 187 78.321 -0.608 -2.371 1.00 1.00 C HETATM 1472 C1V RCY A 187 79.931 1.142 -1.500 1.00 1.00 C HETATM 1473 N1V RCY A 187 77.733 1.647 -2.589 1.00 1.00 N HETATM 1474 C1W RCY A 187 76.844 1.039 -1.506 1.00 1.00 C HETATM 1475 C1X RCY A 187 78.965 0.755 -2.622 1.00 1.00 C HETATM 1476 C1Y RCY A 187 76.928 1.864 -0.219 1.00 1.00 C HETATM 1477 C1Z RCY A 187 75.404 0.978 -2.015 1.00 1.00 C HETATM 0 H1ZA RCY A 187 74.781 0.462 -1.284 1.00 1.00 H new HETATM 0 H1YB RCY A 187 76.357 1.371 0.567 1.00 1.00 H new HETATM 0 H1YA RCY A 187 77.970 1.951 0.090 1.00 1.00 H new HETATM 0 H1VB RCY A 187 80.781 0.460 -1.500 1.00 1.00 H new HETATM 0 H1VA RCY A 187 80.284 2.161 -1.659 1.00 1.00 H new HETATM 0 H1MA RCY A 187 76.621 -1.112 -1.267 1.00 1.00 H new HETATM 0 H1LA RCY A 187 80.889 -3.527 -0.075 1.00 1.00 H new HETATM 0 H1CB RCY A 187 80.409 0.059 -4.063 1.00 1.00 H new HETATM 0 H1CA RCY A 187 78.887 0.648 -4.773 1.00 1.00 H new HETATM 0 H1Y RCY A 187 76.518 2.858 -0.397 1.00 1.00 H new HETATM 0 H1V RCY A 187 79.417 1.081 -0.541 1.00 1.00 H new HETATM 0 H1U RCY A 187 77.825 -0.989 -3.264 1.00 1.00 H new HETATM 0 H1S RCY A 187 81.106 -3.703 -3.133 1.00 1.00 H new HETATM 0 H1M RCY A 187 77.933 -0.430 -0.326 1.00 1.00 H new HETATM 0 H1L RCY A 187 80.357 -4.831 -1.118 1.00 1.00 H new HETATM 0 H1C RCY A 187 80.079 1.807 -4.138 1.00 1.00 H new