USER MOD reduce.3.24.130724 H: found=0, std=0, add=792, 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 110 RCYH1SA : A 110 RCY C1S : A 10 CYS SG :(H bumps) USER MOD NoAdj-H: A 110 RCYH1CB : A 110 RCY C1C : A 9 GLU CG :(H bumps) USER MOD NoAdj-H: A 110 RCY H1C : A 110 RCY C1C : A 9 GLU CG :(H bumps) USER MOD NoAdj-H: A 121 RCYH1ZA : A 121 RCY C1Z : A 23 PRO CG :(H bumps) USER MOD NoAdj-H: A 121 RCYH1YB : A 121 RCY C1Y : A 23 PRO CB :(H bumps) USER MOD NoAdj-H: A 121 RCYH1YA : A 121 RCY C1Y : A 23 PRO CB :(H bumps) USER MOD NoAdj-H: A 121 RCYH1SA : A 121 RCY C1S : A 21 CYS SG :(H bumps) USER MOD NoAdj-H: A 121 RCY H1M : A 121 RCY C1M : A 23 PRO CA :(H bumps) USER MOD NoAdj-H: A 130 RCYH1SA : A 130 RCY C1S : A 30 CYS SG :(H bumps) USER MOD NoAdj-H: A 138 RCYH1YB : A 138 RCY C1Y : A 64 ILE CG1 :(H bumps) USER MOD NoAdj-H: A 138 RCYH1YA : A 138 RCY C1Y : A 64 ILE CG1 :(H bumps) USER MOD NoAdj-H: A 138 RCYH1VA : A 138 RCY C1V : A 64 ILE CG2 :(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 H1Z : A 138 RCY C1Z : A 187 RCY O1G :(H bumps) USER MOD NoAdj-H: A 138 RCY H1Y : A 138 RCY C1Y : A 64 ILE CG1 :(H bumps) USER MOD NoAdj-H: A 138 RCY H1V : A 138 RCY C1V : A 64 ILE CG2 :(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 RCYH1CA : A 150 RCY C1C : A 49 GLY C :(H bumps) USER MOD NoAdj-H: A 150 RCY H1U : A 150 RCY C1U : A 63 ASP OD2 :(H bumps) USER MOD NoAdj-H: A 150 RCY H1C : A 150 RCY C1C : A 49 GLY C :(H bumps) USER MOD NoAdj-H: A 160 RCYH1VB : A 160 RCY C1V : A 58 GLU C :(H bumps) USER MOD NoAdj-H: A 160 RCYH1VA : A 160 RCY C1V : A 58 GLU C :(H bumps) USER MOD NoAdj-H: A 160 RCYH1SA : A 160 RCY C1S : A 60 CYS SG :(H bumps) USER MOD NoAdj-H: A 160 RCYH1CB : A 160 RCY C1C : A 58 GLU CB :(H bumps) USER MOD NoAdj-H: A 160 RCYH1CA : A 160 RCY C1C : A 58 GLU CG :(H bumps) USER MOD NoAdj-H: A 160 RCY H1V : A 160 RCY C1V : A 58 GLU O :(H bumps) USER MOD NoAdj-H: A 160 RCY H1C : A 160 RCY C1C : A 58 GLU CG :(H bumps) USER MOD NoAdj-H: A 168 RCYH1SA : A 168 RCY C1S : A 68 CYS SG :(H bumps) USER MOD NoAdj-H: A 173 RCYH1SA : A 173 RCY C1S : A 73 CYS SG :(H bumps) USER MOD NoAdj-H: A 176 RCYH1SA : A 176 RCY C1S : A 176 RCY C1P :(H bumps) USER MOD NoAdj-H: A 176 RCYH1LA : A 176 RCY C1L : A 176 RCY C1U :(H bumps) USER MOD NoAdj-H: A 176 RCY H1U : A 176 RCY C1U : A 176 RCY C1L :(H bumps) USER MOD NoAdj-H: A 176 RCY H1S : A 176 RCY C1S : A 176 RCY C1P :(H bumps) USER MOD NoAdj-H: A 176 RCY H1L : A 176 RCY C1L : A 70 TRP NE1 :(H bumps) USER MOD NoAdj-H: A 187 RCYH1ZA : A 187 RCY C1Z : A 168 RCY C1P :(H bumps) USER MOD NoAdj-H: A 187 RCYH1YB : A 187 RCY C1Y : A 168 RCY C1L :(H bumps) USER MOD NoAdj-H: A 187 RCYH1VA : A 187 RCY C1V : A 138 RCY O1J :(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 N1R :(H bumps) USER MOD NoAdj-H: A 187 RCY H1V : A 187 RCY C1V : A 64 ILE CD1 :(H bumps) USER MOD Set 1.1: A 74 ASN : amide:sc= -3.81! C(o=-11!,f=-18!) USER MOD Set 1.2: A 79 HIS :FLIP no HD1:sc= -7.03! C(o=-12!,f=-11!) USER MOD Set 2.1: A 31 LYS NZ :NH3+ -133:sc= -2.36 (180deg=-4.5!) USER MOD Set 2.2: A 34 GLN :FLIP amide:sc= -0.351 F(o=-5.3,f=-2.7) USER MOD Set 3.1: A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 2 ASN :FLIP amide:sc= -0.822 F(o=-3!,f=-0.82) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ -112:sc= -2.13 (180deg=-4.61!) USER MOD Single : A 12 SER OG : rot 180:sc= 0.271 USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.056 USER MOD Single : A 17 MET CE :methyl -150:sc= -0.44 (180deg=-1.57!) USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.574 USER MOD Single : A 25 LYS NZ :NH3+ 160:sc= -0.011 (180deg=-0.157) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 GLN : amide:sc= -0.304 X(o=-0.3,f=-0.04) USER MOD Single : A 35 THR OG1 : rot 46:sc= 0.0181! USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 LYS NZ :NH3+ -146:sc= 0 (180deg=-0.0189) USER MOD Single : A 40 SER OG : rot -80:sc= 1.27 USER MOD Single : A 41 LYS NZ :NH3+ -135:sc= -0.232 (180deg=-1.34!) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 171:sc= -1.23 (180deg=-1.56) USER MOD Single : A 48 GLN : amide:sc= -0.419 K(o=-0.42,f=-3.1!) USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 19:sc= 0.764 USER MOD Single : A 65 THR OG1 : rot -170:sc= 0 USER MOD Single : A 75 HIS : no HD1:sc= -0.109 X(o=-0.11,f=-0.51) USER MOD Single : A 83 GLN : amide:sc= -3.19! C(o=-3.2!,f=-5.7!) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 51.721 -3.136 5.065 1.00 1.00 N ATOM 2 CA MET A 1 50.435 -3.308 4.334 1.00 1.00 C ATOM 3 C MET A 1 49.904 -4.725 4.566 1.00 1.00 C ATOM 4 O MET A 1 48.821 -4.916 5.084 1.00 1.00 O ATOM 5 CB MET A 1 50.667 -3.085 2.836 1.00 1.00 C ATOM 6 CG MET A 1 49.334 -2.775 2.152 1.00 1.00 C ATOM 7 SD MET A 1 48.851 -1.069 2.517 1.00 1.00 S ATOM 8 CE MET A 1 47.132 -1.198 1.966 1.00 1.00 C ATOM 0 H1 MET A 1 52.083 -2.174 4.909 1.00 1.00 H new ATOM 0 H2 MET A 1 51.565 -3.286 6.082 1.00 1.00 H new ATOM 0 H3 MET A 1 52.414 -3.828 4.715 1.00 1.00 H new ATOM 0 HA MET A 1 49.707 -2.584 4.699 1.00 1.00 H new ATOM 0 HB2 MET A 1 51.365 -2.262 2.684 1.00 1.00 H new ATOM 0 HB3 MET A 1 51.118 -3.972 2.391 1.00 1.00 H new ATOM 0 HG2 MET A 1 49.424 -2.916 1.075 1.00 1.00 H new ATOM 0 HG3 MET A 1 48.565 -3.464 2.501 1.00 1.00 H new ATOM 0 HE1 MET A 1 46.633 -0.239 2.103 1.00 1.00 H new ATOM 0 HE2 MET A 1 47.108 -1.472 0.911 1.00 1.00 H new ATOM 0 HE3 MET A 1 46.619 -1.961 2.551 1.00 1.00 H new ATOM 17 N ASN A 2 50.659 -5.720 4.188 1.00 1.00 N ATOM 18 CA ASN A 2 50.203 -7.126 4.387 1.00 1.00 C ATOM 19 C ASN A 2 48.745 -7.264 3.942 1.00 1.00 C ATOM 20 O ASN A 2 48.001 -8.069 4.468 1.00 1.00 O ATOM 21 CB ASN A 2 50.324 -7.496 5.867 1.00 1.00 C ATOM 22 CG ASN A 2 51.605 -6.888 6.442 1.00 1.00 C ATOM 23 OD1 ASN A 2 52.569 -6.544 5.633 1.00 1.00 O flip ATOM 24 ND2 ASN A 2 51.729 -6.724 7.639 1.00 1.00 N flip ATOM 0 H ASN A 2 51.574 -5.620 3.749 1.00 1.00 H new ATOM 0 HA ASN A 2 50.825 -7.795 3.792 1.00 1.00 H new ATOM 0 HB2 ASN A 2 49.457 -7.130 6.416 1.00 1.00 H new ATOM 0 HB3 ASN A 2 50.340 -8.580 5.982 1.00 1.00 H new ATOM 0 HD21 ASN A 2 50.975 -6.993 8.271 1.00 1.00 H new ATOM 0 HD22 ASN A 2 52.587 -6.317 8.012 1.00 1.00 H new ATOM 31 N LEU A 3 48.332 -6.489 2.974 1.00 1.00 N ATOM 32 CA LEU A 3 46.919 -6.579 2.490 1.00 1.00 C ATOM 33 C LEU A 3 46.913 -6.619 0.962 1.00 1.00 C ATOM 34 O LEU A 3 45.997 -7.130 0.349 1.00 1.00 O ATOM 35 CB LEU A 3 46.125 -5.361 2.980 1.00 1.00 C ATOM 36 CG LEU A 3 44.649 -5.530 2.617 1.00 1.00 C ATOM 37 CD1 LEU A 3 43.786 -4.741 3.605 1.00 1.00 C ATOM 38 CD2 LEU A 3 44.410 -5.004 1.200 1.00 1.00 C ATOM 0 H LEU A 3 48.910 -5.797 2.497 1.00 1.00 H new ATOM 0 HA LEU A 3 46.456 -7.485 2.881 1.00 1.00 H new ATOM 0 HB2 LEU A 3 46.234 -5.253 4.059 1.00 1.00 H new ATOM 0 HB3 LEU A 3 46.519 -4.451 2.527 1.00 1.00 H new ATOM 0 HG LEU A 3 44.382 -6.586 2.664 1.00 1.00 H new ATOM 0 HD11 LEU A 3 42.734 -4.862 3.346 1.00 1.00 H new ATOM 0 HD12 LEU A 3 43.956 -5.114 4.615 1.00 1.00 H new ATOM 0 HD13 LEU A 3 44.052 -3.685 3.558 1.00 1.00 H new ATOM 0 HD21 LEU A 3 43.358 -5.124 0.940 1.00 1.00 H new ATOM 0 HD22 LEU A 3 44.677 -3.948 1.154 1.00 1.00 H new ATOM 0 HD23 LEU A 3 45.024 -5.565 0.495 1.00 1.00 H new ATOM 50 N GLU A 4 47.930 -6.088 0.341 1.00 1.00 N ATOM 51 CA GLU A 4 47.985 -6.102 -1.148 1.00 1.00 C ATOM 52 C GLU A 4 48.736 -7.363 -1.608 1.00 1.00 C ATOM 53 O GLU A 4 49.909 -7.515 -1.332 1.00 1.00 O ATOM 54 CB GLU A 4 48.731 -4.852 -1.636 1.00 1.00 C ATOM 55 CG GLU A 4 48.181 -4.427 -2.999 1.00 1.00 C ATOM 56 CD GLU A 4 46.834 -3.726 -2.810 1.00 1.00 C ATOM 57 OE1 GLU A 4 45.828 -4.416 -2.779 1.00 1.00 O ATOM 58 OE2 GLU A 4 46.831 -2.511 -2.699 1.00 1.00 O ATOM 0 H GLU A 4 48.726 -5.645 0.800 1.00 1.00 H new ATOM 0 HA GLU A 4 46.976 -6.106 -1.560 1.00 1.00 H new ATOM 0 HB2 GLU A 4 48.614 -4.042 -0.916 1.00 1.00 H new ATOM 0 HB3 GLU A 4 49.798 -5.059 -1.712 1.00 1.00 H new ATOM 0 HG2 GLU A 4 48.885 -3.758 -3.494 1.00 1.00 H new ATOM 0 HG3 GLU A 4 48.062 -5.298 -3.643 1.00 1.00 H new ATOM 65 N PRO A 5 48.075 -8.263 -2.297 1.00 1.00 N ATOM 66 CA PRO A 5 48.713 -9.521 -2.783 1.00 1.00 C ATOM 67 C PRO A 5 50.116 -9.274 -3.358 1.00 1.00 C ATOM 68 O PRO A 5 50.258 -8.755 -4.448 1.00 1.00 O ATOM 69 CB PRO A 5 47.759 -9.999 -3.876 1.00 1.00 C ATOM 70 CG PRO A 5 46.418 -9.490 -3.460 1.00 1.00 C ATOM 71 CD PRO A 5 46.658 -8.188 -2.689 1.00 1.00 C ATOM 0 HA PRO A 5 48.859 -10.246 -1.982 1.00 1.00 H new ATOM 0 HB2 PRO A 5 48.046 -9.606 -4.851 1.00 1.00 H new ATOM 0 HB3 PRO A 5 47.762 -11.086 -3.956 1.00 1.00 H new ATOM 0 HG2 PRO A 5 45.785 -9.313 -4.330 1.00 1.00 H new ATOM 0 HG3 PRO A 5 45.904 -10.220 -2.835 1.00 1.00 H new ATOM 0 HD2 PRO A 5 46.461 -7.314 -3.310 1.00 1.00 H new ATOM 0 HD3 PRO A 5 46.006 -8.114 -1.818 1.00 1.00 H new ATOM 79 N PRO A 6 51.147 -9.638 -2.634 1.00 1.00 N ATOM 80 CA PRO A 6 52.552 -9.444 -3.088 1.00 1.00 C ATOM 81 C PRO A 6 53.014 -10.553 -4.040 1.00 1.00 C ATOM 82 O PRO A 6 52.445 -11.626 -4.083 1.00 1.00 O ATOM 83 CB PRO A 6 53.349 -9.481 -1.784 1.00 1.00 C ATOM 84 CG PRO A 6 52.559 -10.362 -0.871 1.00 1.00 C ATOM 85 CD PRO A 6 51.091 -10.269 -1.305 1.00 1.00 C ATOM 0 HA PRO A 6 52.679 -8.520 -3.653 1.00 1.00 H new ATOM 0 HB2 PRO A 6 54.351 -9.878 -1.945 1.00 1.00 H new ATOM 0 HB3 PRO A 6 53.466 -8.482 -1.365 1.00 1.00 H new ATOM 0 HG2 PRO A 6 52.913 -11.391 -0.929 1.00 1.00 H new ATOM 0 HG3 PRO A 6 52.674 -10.044 0.165 1.00 1.00 H new ATOM 0 HD2 PRO A 6 50.626 -11.254 -1.351 1.00 1.00 H new ATOM 0 HD3 PRO A 6 50.506 -9.673 -0.605 1.00 1.00 H new ATOM 93 N LYS A 7 54.041 -10.299 -4.803 1.00 1.00 N ATOM 94 CA LYS A 7 54.541 -11.333 -5.753 1.00 1.00 C ATOM 95 C LYS A 7 54.995 -12.570 -4.973 1.00 1.00 C ATOM 96 O LYS A 7 54.193 -13.298 -4.424 1.00 1.00 O ATOM 97 CB LYS A 7 55.720 -10.765 -6.545 1.00 1.00 C ATOM 98 CG LYS A 7 55.277 -9.501 -7.285 1.00 1.00 C ATOM 99 CD LYS A 7 56.345 -9.106 -8.306 1.00 1.00 C ATOM 100 CE LYS A 7 57.649 -8.773 -7.579 1.00 1.00 C ATOM 101 NZ LYS A 7 58.390 -10.033 -7.286 1.00 1.00 N ATOM 0 H LYS A 7 54.556 -9.419 -4.810 1.00 1.00 H new ATOM 0 HA LYS A 7 53.742 -11.614 -6.440 1.00 1.00 H new ATOM 0 HB2 LYS A 7 56.546 -10.535 -5.872 1.00 1.00 H new ATOM 0 HB3 LYS A 7 56.085 -11.506 -7.256 1.00 1.00 H new ATOM 0 HG2 LYS A 7 54.326 -9.676 -7.787 1.00 1.00 H new ATOM 0 HG3 LYS A 7 55.119 -8.688 -6.576 1.00 1.00 H new ATOM 0 HD2 LYS A 7 56.508 -9.921 -9.011 1.00 1.00 H new ATOM 0 HD3 LYS A 7 56.009 -8.246 -8.885 1.00 1.00 H new ATOM 0 HE2 LYS A 7 58.262 -8.113 -8.193 1.00 1.00 H new ATOM 0 HE3 LYS A 7 57.435 -8.240 -6.652 1.00 1.00 H new ATOM 0 HZ1 LYS A 7 58.402 -10.198 -6.259 1.00 1.00 H new ATOM 0 HZ2 LYS A 7 57.920 -10.830 -7.760 1.00 1.00 H new ATOM 0 HZ3 LYS A 7 59.366 -9.950 -7.634 1.00 1.00 H new ATOM 115 N ALA A 8 56.277 -12.814 -4.922 1.00 1.00 N ATOM 116 CA ALA A 8 56.783 -14.004 -4.179 1.00 1.00 C ATOM 117 C ALA A 8 58.168 -13.695 -3.605 1.00 1.00 C ATOM 118 O ALA A 8 59.108 -13.436 -4.331 1.00 1.00 O ATOM 119 CB ALA A 8 56.881 -15.196 -5.133 1.00 1.00 C ATOM 0 H ALA A 8 56.996 -12.240 -5.363 1.00 1.00 H new ATOM 0 HA ALA A 8 56.098 -14.244 -3.366 1.00 1.00 H new ATOM 0 HB1 ALA A 8 57.251 -16.066 -4.591 1.00 1.00 H new ATOM 0 HB2 ALA A 8 55.895 -15.416 -5.543 1.00 1.00 H new ATOM 0 HB3 ALA A 8 57.567 -14.956 -5.946 1.00 1.00 H new ATOM 125 N GLU A 9 58.301 -13.717 -2.306 1.00 1.00 N ATOM 126 CA GLU A 9 59.625 -13.421 -1.683 1.00 1.00 C ATOM 127 C GLU A 9 60.376 -14.729 -1.426 1.00 1.00 C ATOM 128 O GLU A 9 60.822 -15.390 -2.343 1.00 1.00 O ATOM 129 CB GLU A 9 59.410 -12.691 -0.356 1.00 1.00 C ATOM 130 CG GLU A 9 58.697 -11.362 -0.613 1.00 1.00 C ATOM 131 CD GLU A 9 59.619 -10.432 -1.403 1.00 1.00 C ATOM 132 OE1 GLU A 9 60.488 -9.833 -0.792 1.00 1.00 O ATOM 133 OE2 GLU A 9 59.440 -10.334 -2.606 1.00 1.00 O ATOM 0 H GLU A 9 57.550 -13.927 -1.648 1.00 1.00 H new ATOM 0 HA GLU A 9 60.209 -12.794 -2.356 1.00 1.00 H new ATOM 0 HB2 GLU A 9 58.818 -13.309 0.319 1.00 1.00 H new ATOM 0 HB3 GLU A 9 60.368 -12.513 0.133 1.00 1.00 H new ATOM 0 HG2 GLU A 9 57.774 -11.534 -1.167 1.00 1.00 H new ATOM 0 HG3 GLU A 9 58.419 -10.898 0.333 1.00 1.00 H new ATOM 140 N CYS A 10 60.519 -15.106 -0.182 1.00 1.00 N ATOM 141 CA CYS A 10 61.242 -16.369 0.145 1.00 1.00 C ATOM 142 C CYS A 10 60.425 -17.171 1.162 1.00 1.00 C ATOM 143 O CYS A 10 59.278 -16.869 1.427 1.00 1.00 O ATOM 144 CB CYS A 10 62.617 -16.034 0.739 1.00 1.00 C ATOM 145 SG CYS A 10 62.898 -14.249 0.641 1.00 1.00 S ATOM 0 H CYS A 10 60.164 -14.591 0.624 1.00 1.00 H new ATOM 0 HA CYS A 10 61.375 -16.959 -0.762 1.00 1.00 H new ATOM 0 HB2 CYS A 10 62.667 -16.364 1.777 1.00 1.00 H new ATOM 0 HB3 CYS A 10 63.399 -16.566 0.197 1.00 1.00 H new ATOM 150 N ARG A 11 61.010 -18.191 1.734 1.00 1.00 N ATOM 151 CA ARG A 11 60.277 -19.019 2.738 1.00 1.00 C ATOM 152 C ARG A 11 61.024 -18.973 4.074 1.00 1.00 C ATOM 153 O ARG A 11 61.507 -19.976 4.563 1.00 1.00 O ATOM 154 CB ARG A 11 60.194 -20.468 2.243 1.00 1.00 C ATOM 155 CG ARG A 11 60.033 -20.480 0.722 1.00 1.00 C ATOM 156 CD ARG A 11 61.393 -20.242 0.062 1.00 1.00 C ATOM 157 NE ARG A 11 61.756 -21.425 -0.768 1.00 1.00 N ATOM 158 CZ ARG A 11 61.246 -21.566 -1.961 1.00 1.00 C ATOM 159 NH1 ARG A 11 60.419 -20.670 -2.427 1.00 1.00 N ATOM 160 NH2 ARG A 11 61.564 -22.601 -2.689 1.00 1.00 N ATOM 0 H ARG A 11 61.968 -18.488 1.548 1.00 1.00 H new ATOM 0 HA ARG A 11 59.269 -18.626 2.872 1.00 1.00 H new ATOM 0 HB2 ARG A 11 61.094 -21.013 2.528 1.00 1.00 H new ATOM 0 HB3 ARG A 11 59.352 -20.976 2.712 1.00 1.00 H new ATOM 0 HG2 ARG A 11 59.622 -21.436 0.397 1.00 1.00 H new ATOM 0 HG3 ARG A 11 59.328 -19.708 0.414 1.00 1.00 H new ATOM 0 HD2 ARG A 11 61.356 -19.347 -0.558 1.00 1.00 H new ATOM 0 HD3 ARG A 11 62.154 -20.071 0.824 1.00 1.00 H new ATOM 0 HE ARG A 11 62.403 -22.124 -0.404 1.00 1.00 H new ATOM 0 HH11 ARG A 11 60.172 -19.860 -1.859 1.00 1.00 H new ATOM 0 HH12 ARG A 11 60.020 -20.780 -3.359 1.00 1.00 H new ATOM 0 HH21 ARG A 11 62.211 -23.300 -2.326 1.00 1.00 H new ATOM 0 HH22 ARG A 11 61.165 -22.711 -3.621 1.00 1.00 H new ATOM 174 N SER A 12 61.125 -17.815 4.667 1.00 1.00 N ATOM 175 CA SER A 12 61.843 -17.700 5.970 1.00 1.00 C ATOM 176 C SER A 12 61.170 -16.629 6.829 1.00 1.00 C ATOM 177 O SER A 12 60.035 -16.260 6.603 1.00 1.00 O ATOM 178 CB SER A 12 63.298 -17.307 5.715 1.00 1.00 C ATOM 179 OG SER A 12 64.044 -17.469 6.913 1.00 1.00 O ATOM 0 H SER A 12 60.741 -16.942 4.306 1.00 1.00 H new ATOM 0 HA SER A 12 61.810 -18.657 6.490 1.00 1.00 H new ATOM 0 HB2 SER A 12 63.721 -17.926 4.923 1.00 1.00 H new ATOM 0 HB3 SER A 12 63.353 -16.273 5.375 1.00 1.00 H new ATOM 0 HG SER A 12 64.978 -17.220 6.753 1.00 1.00 H new ATOM 185 N ALA A 13 61.861 -16.126 7.815 1.00 1.00 N ATOM 186 CA ALA A 13 61.261 -15.079 8.689 1.00 1.00 C ATOM 187 C ALA A 13 60.621 -13.993 7.821 1.00 1.00 C ATOM 188 O ALA A 13 60.782 -13.974 6.616 1.00 1.00 O ATOM 189 CB ALA A 13 62.353 -14.456 9.562 1.00 1.00 C ATOM 0 H ALA A 13 62.816 -16.395 8.053 1.00 1.00 H new ATOM 0 HA ALA A 13 60.500 -15.530 9.325 1.00 1.00 H new ATOM 0 HB1 ALA A 13 61.915 -13.690 10.202 1.00 1.00 H new ATOM 0 HB2 ALA A 13 62.809 -15.229 10.181 1.00 1.00 H new ATOM 0 HB3 ALA A 13 63.114 -14.005 8.926 1.00 1.00 H new ATOM 195 N THR A 14 59.897 -13.089 8.423 1.00 1.00 N ATOM 196 CA THR A 14 59.246 -12.003 7.635 1.00 1.00 C ATOM 197 C THR A 14 59.249 -10.712 8.456 1.00 1.00 C ATOM 198 O THR A 14 58.848 -9.665 7.987 1.00 1.00 O ATOM 199 CB THR A 14 57.802 -12.403 7.315 1.00 1.00 C ATOM 200 OG1 THR A 14 57.768 -13.765 6.914 1.00 1.00 O ATOM 201 CG2 THR A 14 57.265 -11.523 6.185 1.00 1.00 C ATOM 0 H THR A 14 59.728 -13.055 9.428 1.00 1.00 H new ATOM 0 HA THR A 14 59.793 -11.845 6.706 1.00 1.00 H new ATOM 0 HB THR A 14 57.182 -12.269 8.202 1.00 1.00 H new ATOM 0 HG1 THR A 14 56.845 -14.023 6.710 1.00 1.00 H new ATOM 0 HG21 THR A 14 56.238 -11.809 5.958 1.00 1.00 H new ATOM 0 HG22 THR A 14 57.291 -10.478 6.494 1.00 1.00 H new ATOM 0 HG23 THR A 14 57.883 -11.655 5.297 1.00 1.00 H new ATOM 209 N ARG A 15 59.699 -10.778 9.679 1.00 1.00 N ATOM 210 CA ARG A 15 59.730 -9.556 10.532 1.00 1.00 C ATOM 211 C ARG A 15 61.007 -8.764 10.243 1.00 1.00 C ATOM 212 O ARG A 15 62.048 -9.017 10.816 1.00 1.00 O ATOM 213 CB ARG A 15 59.707 -9.966 12.008 1.00 1.00 C ATOM 214 CG ARG A 15 59.483 -8.730 12.882 1.00 1.00 C ATOM 215 CD ARG A 15 57.982 -8.500 13.067 1.00 1.00 C ATOM 216 NE ARG A 15 57.756 -7.153 13.661 1.00 1.00 N ATOM 217 CZ ARG A 15 58.101 -6.919 14.898 1.00 1.00 C ATOM 218 NH1 ARG A 15 58.644 -7.865 15.614 1.00 1.00 N ATOM 219 NH2 ARG A 15 57.902 -5.739 15.418 1.00 1.00 N ATOM 0 H ARG A 15 60.047 -11.627 10.125 1.00 1.00 H new ATOM 0 HA ARG A 15 58.861 -8.936 10.312 1.00 1.00 H new ATOM 0 HB2 ARG A 15 58.915 -10.694 12.181 1.00 1.00 H new ATOM 0 HB3 ARG A 15 60.647 -10.448 12.276 1.00 1.00 H new ATOM 0 HG2 ARG A 15 59.963 -8.865 13.851 1.00 1.00 H new ATOM 0 HG3 ARG A 15 59.941 -7.856 12.419 1.00 1.00 H new ATOM 0 HD2 ARG A 15 57.470 -8.577 12.108 1.00 1.00 H new ATOM 0 HD3 ARG A 15 57.562 -9.270 13.714 1.00 1.00 H new ATOM 0 HE ARG A 15 57.332 -6.413 13.101 1.00 1.00 H new ATOM 0 HH11 ARG A 15 58.799 -8.787 15.207 1.00 1.00 H new ATOM 0 HH12 ARG A 15 58.914 -7.682 16.581 1.00 1.00 H new ATOM 0 HH21 ARG A 15 57.477 -5.000 14.858 1.00 1.00 H new ATOM 0 HH22 ARG A 15 58.171 -5.556 16.385 1.00 1.00 H new ATOM 233 N VAL A 16 60.936 -7.806 9.360 1.00 1.00 N ATOM 234 CA VAL A 16 62.147 -6.998 9.040 1.00 1.00 C ATOM 235 C VAL A 16 61.748 -5.835 8.124 1.00 1.00 C ATOM 236 O VAL A 16 62.417 -4.822 8.065 1.00 1.00 O ATOM 237 CB VAL A 16 63.195 -7.904 8.357 1.00 1.00 C ATOM 238 CG1 VAL A 16 63.320 -7.520 6.882 1.00 1.00 C ATOM 239 CG2 VAL A 16 64.549 -7.722 9.046 1.00 1.00 C ATOM 0 H VAL A 16 60.093 -7.548 8.847 1.00 1.00 H new ATOM 0 HA VAL A 16 62.583 -6.589 9.952 1.00 1.00 H new ATOM 0 HB VAL A 16 62.881 -8.945 8.435 1.00 1.00 H new ATOM 0 HG11 VAL A 16 64.060 -8.160 6.401 1.00 1.00 H new ATOM 0 HG12 VAL A 16 62.356 -7.647 6.390 1.00 1.00 H new ATOM 0 HG13 VAL A 16 63.634 -6.479 6.802 1.00 1.00 H new ATOM 0 HG21 VAL A 16 65.290 -8.361 8.566 1.00 1.00 H new ATOM 0 HG22 VAL A 16 64.861 -6.681 8.966 1.00 1.00 H new ATOM 0 HG23 VAL A 16 64.462 -7.995 10.098 1.00 1.00 H new ATOM 249 N MET A 17 60.661 -5.976 7.411 1.00 1.00 N ATOM 250 CA MET A 17 60.207 -4.885 6.497 1.00 1.00 C ATOM 251 C MET A 17 58.931 -4.252 7.060 1.00 1.00 C ATOM 252 O MET A 17 58.030 -3.890 6.330 1.00 1.00 O ATOM 253 CB MET A 17 59.919 -5.475 5.109 1.00 1.00 C ATOM 254 CG MET A 17 61.223 -5.583 4.317 1.00 1.00 C ATOM 255 SD MET A 17 61.491 -4.056 3.383 1.00 1.00 S ATOM 256 CE MET A 17 60.115 -4.254 2.225 1.00 1.00 C ATOM 0 H MET A 17 60.065 -6.804 7.422 1.00 1.00 H new ATOM 0 HA MET A 17 60.984 -4.125 6.415 1.00 1.00 H new ATOM 0 HB2 MET A 17 59.460 -6.459 5.209 1.00 1.00 H new ATOM 0 HB3 MET A 17 59.208 -4.844 4.575 1.00 1.00 H new ATOM 0 HG2 MET A 17 62.059 -5.759 4.994 1.00 1.00 H new ATOM 0 HG3 MET A 17 61.179 -6.434 3.638 1.00 1.00 H new ATOM 0 HE1 MET A 17 60.365 -3.777 1.277 1.00 1.00 H new ATOM 0 HE2 MET A 17 59.929 -5.315 2.059 1.00 1.00 H new ATOM 0 HE3 MET A 17 59.221 -3.789 2.640 1.00 1.00 H new ATOM 266 N GLY A 18 58.846 -4.118 8.356 1.00 1.00 N ATOM 267 CA GLY A 18 57.628 -3.511 8.964 1.00 1.00 C ATOM 268 C GLY A 18 57.720 -1.985 8.886 1.00 1.00 C ATOM 269 O GLY A 18 58.765 -1.430 8.611 1.00 1.00 O ATOM 0 H GLY A 18 59.567 -4.402 9.019 1.00 1.00 H new ATOM 0 HA2 GLY A 18 56.737 -3.859 8.441 1.00 1.00 H new ATOM 0 HA3 GLY A 18 57.532 -3.827 10.003 1.00 1.00 H new ATOM 273 N GLY A 19 56.632 -1.304 9.127 1.00 1.00 N ATOM 274 CA GLY A 19 56.656 0.186 9.068 1.00 1.00 C ATOM 275 C GLY A 19 56.546 0.640 7.605 1.00 1.00 C ATOM 276 O GLY A 19 57.375 0.291 6.787 1.00 1.00 O ATOM 0 H GLY A 19 55.728 -1.715 9.362 1.00 1.00 H new ATOM 0 HA2 GLY A 19 55.832 0.597 9.651 1.00 1.00 H new ATOM 0 HA3 GLY A 19 57.578 0.564 9.509 1.00 1.00 H new ATOM 280 N PRO A 20 55.539 1.413 7.268 1.00 1.00 N ATOM 281 CA PRO A 20 55.348 1.907 5.875 1.00 1.00 C ATOM 282 C PRO A 20 56.664 2.368 5.241 1.00 1.00 C ATOM 283 O PRO A 20 57.038 3.520 5.331 1.00 1.00 O ATOM 284 CB PRO A 20 54.384 3.083 6.044 1.00 1.00 C ATOM 285 CG PRO A 20 53.581 2.747 7.258 1.00 1.00 C ATOM 286 CD PRO A 20 54.479 1.900 8.167 1.00 1.00 C ATOM 0 HA PRO A 20 54.972 1.130 5.210 1.00 1.00 H new ATOM 0 HB2 PRO A 20 54.924 4.021 6.174 1.00 1.00 H new ATOM 0 HB3 PRO A 20 53.746 3.201 5.168 1.00 1.00 H new ATOM 0 HG2 PRO A 20 53.258 3.653 7.770 1.00 1.00 H new ATOM 0 HG3 PRO A 20 52.680 2.197 6.985 1.00 1.00 H new ATOM 0 HD2 PRO A 20 54.890 2.492 8.985 1.00 1.00 H new ATOM 0 HD3 PRO A 20 53.927 1.075 8.617 1.00 1.00 H new ATOM 294 N CYS A 21 57.371 1.473 4.603 1.00 1.00 N ATOM 295 CA CYS A 21 58.665 1.854 3.968 1.00 1.00 C ATOM 296 C CYS A 21 58.457 2.064 2.466 1.00 1.00 C ATOM 297 O CYS A 21 58.489 1.130 1.690 1.00 1.00 O ATOM 298 CB CYS A 21 59.685 0.734 4.188 1.00 1.00 C ATOM 299 SG CYS A 21 61.356 1.379 3.927 1.00 1.00 S ATOM 0 H CYS A 21 57.107 0.494 4.495 1.00 1.00 H new ATOM 0 HA CYS A 21 59.032 2.778 4.415 1.00 1.00 H new ATOM 0 HB2 CYS A 21 59.591 0.336 5.198 1.00 1.00 H new ATOM 0 HB3 CYS A 21 59.490 -0.090 3.501 1.00 1.00 H new ATOM 304 N THR A 22 58.254 3.287 2.051 1.00 1.00 N ATOM 305 CA THR A 22 58.056 3.563 0.598 1.00 1.00 C ATOM 306 C THR A 22 59.351 4.146 0.021 1.00 1.00 C ATOM 307 O THR A 22 60.109 4.786 0.721 1.00 1.00 O ATOM 308 CB THR A 22 56.920 4.576 0.424 1.00 1.00 C ATOM 309 OG1 THR A 22 57.115 5.300 -0.782 1.00 1.00 O ATOM 310 CG2 THR A 22 56.912 5.545 1.608 1.00 1.00 C ATOM 0 H THR A 22 58.217 4.107 2.656 1.00 1.00 H new ATOM 0 HA THR A 22 57.802 2.640 0.077 1.00 1.00 H new ATOM 0 HB THR A 22 55.966 4.050 0.382 1.00 1.00 H new ATOM 0 HG1 THR A 22 56.388 5.948 -0.896 1.00 1.00 H new ATOM 0 HG21 THR A 22 56.103 6.265 1.483 1.00 1.00 H new ATOM 0 HG22 THR A 22 56.762 4.988 2.533 1.00 1.00 H new ATOM 0 HG23 THR A 22 57.865 6.073 1.653 1.00 1.00 H new ATOM 318 N PRO A 23 59.605 3.931 -1.245 1.00 1.00 N ATOM 319 CA PRO A 23 60.827 4.448 -1.914 1.00 1.00 C ATOM 320 C PRO A 23 61.219 5.839 -1.403 1.00 1.00 C ATOM 321 O PRO A 23 60.382 6.698 -1.214 1.00 1.00 O ATOM 322 CB PRO A 23 60.417 4.502 -3.384 1.00 1.00 C ATOM 323 CG PRO A 23 59.424 3.397 -3.548 1.00 1.00 C ATOM 324 CD PRO A 23 58.758 3.178 -2.184 1.00 1.00 C ATOM 0 HA PRO A 23 61.702 3.825 -1.726 1.00 1.00 H new ATOM 0 HB2 PRO A 23 59.979 5.468 -3.637 1.00 1.00 H new ATOM 0 HB3 PRO A 23 61.277 4.361 -4.039 1.00 1.00 H new ATOM 0 HG2 PRO A 23 58.681 3.657 -4.302 1.00 1.00 H new ATOM 0 HG3 PRO A 23 59.916 2.485 -3.887 1.00 1.00 H new ATOM 0 HD2 PRO A 23 57.732 3.546 -2.178 1.00 1.00 H new ATOM 0 HD3 PRO A 23 58.719 2.120 -1.925 1.00 1.00 H new ATOM 332 N ARG A 24 62.482 6.064 -1.171 1.00 1.00 N ATOM 333 CA ARG A 24 62.918 7.397 -0.667 1.00 1.00 C ATOM 334 C ARG A 24 62.331 8.495 -1.559 1.00 1.00 C ATOM 335 O ARG A 24 62.333 9.659 -1.211 1.00 1.00 O ATOM 336 CB ARG A 24 64.452 7.474 -0.686 1.00 1.00 C ATOM 337 CG ARG A 24 64.925 8.599 0.237 1.00 1.00 C ATOM 338 CD ARG A 24 65.259 9.837 -0.597 1.00 1.00 C ATOM 339 NE ARG A 24 65.153 11.054 0.257 1.00 1.00 N ATOM 340 CZ ARG A 24 66.020 11.261 1.209 1.00 1.00 C ATOM 341 NH1 ARG A 24 66.981 10.402 1.414 1.00 1.00 N ATOM 342 NH2 ARG A 24 65.927 12.327 1.957 1.00 1.00 N ATOM 0 H ARG A 24 63.230 5.384 -1.308 1.00 1.00 H new ATOM 0 HA ARG A 24 62.564 7.537 0.355 1.00 1.00 H new ATOM 0 HB2 ARG A 24 64.877 6.524 -0.364 1.00 1.00 H new ATOM 0 HB3 ARG A 24 64.804 7.652 -1.702 1.00 1.00 H new ATOM 0 HG2 ARG A 24 64.150 8.836 0.965 1.00 1.00 H new ATOM 0 HG3 ARG A 24 65.802 8.278 0.799 1.00 1.00 H new ATOM 0 HD2 ARG A 24 66.266 9.753 -1.005 1.00 1.00 H new ATOM 0 HD3 ARG A 24 64.577 9.913 -1.444 1.00 1.00 H new ATOM 0 HE ARG A 24 64.402 11.725 0.097 1.00 1.00 H new ATOM 0 HH11 ARG A 24 67.054 9.569 0.830 1.00 1.00 H new ATOM 0 HH12 ARG A 24 67.659 10.564 2.158 1.00 1.00 H new ATOM 0 HH21 ARG A 24 65.176 12.998 1.797 1.00 1.00 H new ATOM 0 HH22 ARG A 24 66.605 12.488 2.701 1.00 1.00 H new ATOM 356 N LYS A 25 61.824 8.132 -2.707 1.00 1.00 N ATOM 357 CA LYS A 25 61.236 9.154 -3.619 1.00 1.00 C ATOM 358 C LYS A 25 62.199 10.336 -3.748 1.00 1.00 C ATOM 359 O LYS A 25 61.867 11.458 -3.421 1.00 1.00 O ATOM 360 CB LYS A 25 59.902 9.643 -3.049 1.00 1.00 C ATOM 361 CG LYS A 25 58.818 8.594 -3.307 1.00 1.00 C ATOM 362 CD LYS A 25 58.499 8.546 -4.803 1.00 1.00 C ATOM 363 CE LYS A 25 57.039 8.135 -5.001 1.00 1.00 C ATOM 364 NZ LYS A 25 56.151 9.290 -4.692 1.00 1.00 N ATOM 0 H LYS A 25 61.792 7.173 -3.052 1.00 1.00 H new ATOM 0 HA LYS A 25 61.070 8.711 -4.601 1.00 1.00 H new ATOM 0 HB2 LYS A 25 59.998 9.826 -1.979 1.00 1.00 H new ATOM 0 HB3 LYS A 25 59.623 10.590 -3.511 1.00 1.00 H new ATOM 0 HG2 LYS A 25 59.155 7.616 -2.965 1.00 1.00 H new ATOM 0 HG3 LYS A 25 57.919 8.838 -2.740 1.00 1.00 H new ATOM 0 HD2 LYS A 25 58.678 9.522 -5.255 1.00 1.00 H new ATOM 0 HD3 LYS A 25 59.158 7.837 -5.304 1.00 1.00 H new ATOM 0 HE2 LYS A 25 56.879 7.804 -6.027 1.00 1.00 H new ATOM 0 HE3 LYS A 25 56.796 7.293 -4.353 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 55.222 9.141 -5.134 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 56.035 9.373 -3.662 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 56.576 10.164 -5.064 1.00 1.00 H new ATOM 378 N GLY A 26 63.389 10.093 -4.225 1.00 1.00 N ATOM 379 CA GLY A 26 64.374 11.202 -4.377 1.00 1.00 C ATOM 380 C GLY A 26 65.320 10.885 -5.543 1.00 1.00 C ATOM 381 O GLY A 26 64.887 10.752 -6.671 1.00 1.00 O ATOM 0 H GLY A 26 63.722 9.174 -4.516 1.00 1.00 H new ATOM 0 HA2 GLY A 26 63.854 12.142 -4.561 1.00 1.00 H new ATOM 0 HA3 GLY A 26 64.943 11.327 -3.456 1.00 1.00 H new ATOM 385 N PRO A 27 66.602 10.761 -5.287 1.00 1.00 N ATOM 386 CA PRO A 27 67.599 10.452 -6.353 1.00 1.00 C ATOM 387 C PRO A 27 67.112 9.343 -7.297 1.00 1.00 C ATOM 388 O PRO A 27 66.266 8.547 -6.941 1.00 1.00 O ATOM 389 CB PRO A 27 68.829 9.991 -5.569 1.00 1.00 C ATOM 390 CG PRO A 27 68.731 10.687 -4.251 1.00 1.00 C ATOM 391 CD PRO A 27 67.240 10.899 -3.967 1.00 1.00 C ATOM 0 HA PRO A 27 67.790 11.311 -6.997 1.00 1.00 H new ATOM 0 HB2 PRO A 27 68.834 8.908 -5.444 1.00 1.00 H new ATOM 0 HB3 PRO A 27 69.750 10.256 -6.088 1.00 1.00 H new ATOM 0 HG2 PRO A 27 69.193 10.090 -3.464 1.00 1.00 H new ATOM 0 HG3 PRO A 27 69.258 11.641 -4.278 1.00 1.00 H new ATOM 0 HD2 PRO A 27 66.859 10.161 -3.261 1.00 1.00 H new ATOM 0 HD3 PRO A 27 67.052 11.881 -3.534 1.00 1.00 H new ATOM 399 N PRO A 28 67.647 9.288 -8.491 1.00 1.00 N ATOM 400 CA PRO A 28 67.265 8.258 -9.498 1.00 1.00 C ATOM 401 C PRO A 28 67.099 6.868 -8.874 1.00 1.00 C ATOM 402 O PRO A 28 67.863 6.465 -8.019 1.00 1.00 O ATOM 403 CB PRO A 28 68.439 8.269 -10.478 1.00 1.00 C ATOM 404 CG PRO A 28 68.989 9.656 -10.412 1.00 1.00 C ATOM 405 CD PRO A 28 68.678 10.200 -9.013 1.00 1.00 C ATOM 0 HA PRO A 28 66.303 8.477 -9.962 1.00 1.00 H new ATOM 0 HB2 PRO A 28 69.192 7.533 -10.199 1.00 1.00 H new ATOM 0 HB3 PRO A 28 68.112 8.023 -11.488 1.00 1.00 H new ATOM 0 HG2 PRO A 28 70.064 9.653 -10.594 1.00 1.00 H new ATOM 0 HG3 PRO A 28 68.538 10.286 -11.179 1.00 1.00 H new ATOM 0 HD2 PRO A 28 69.565 10.202 -8.380 1.00 1.00 H new ATOM 0 HD3 PRO A 28 68.316 11.227 -9.057 1.00 1.00 H new ATOM 413 N LYS A 29 66.108 6.131 -9.296 1.00 1.00 N ATOM 414 CA LYS A 29 65.897 4.769 -8.728 1.00 1.00 C ATOM 415 C LYS A 29 67.189 3.957 -8.855 1.00 1.00 C ATOM 416 O LYS A 29 67.658 3.365 -7.903 1.00 1.00 O ATOM 417 CB LYS A 29 64.772 4.059 -9.491 1.00 1.00 C ATOM 418 CG LYS A 29 63.626 5.039 -9.751 1.00 1.00 C ATOM 419 CD LYS A 29 63.702 5.543 -11.194 1.00 1.00 C ATOM 420 CE LYS A 29 62.727 6.707 -11.381 1.00 1.00 C ATOM 421 NZ LYS A 29 62.546 6.974 -12.835 1.00 1.00 N ATOM 0 H LYS A 29 65.436 6.413 -10.009 1.00 1.00 H new ATOM 0 HA LYS A 29 65.622 4.856 -7.677 1.00 1.00 H new ATOM 0 HB2 LYS A 29 65.150 3.668 -10.436 1.00 1.00 H new ATOM 0 HB3 LYS A 29 64.411 3.207 -8.915 1.00 1.00 H new ATOM 0 HG2 LYS A 29 62.668 4.549 -9.576 1.00 1.00 H new ATOM 0 HG3 LYS A 29 63.687 5.878 -9.058 1.00 1.00 H new ATOM 0 HD2 LYS A 29 64.717 5.865 -11.425 1.00 1.00 H new ATOM 0 HD3 LYS A 29 63.458 4.736 -11.885 1.00 1.00 H new ATOM 0 HE2 LYS A 29 61.768 6.469 -10.922 1.00 1.00 H new ATOM 0 HE3 LYS A 29 63.107 7.598 -10.881 1.00 1.00 H new ATOM 0 HZ1 LYS A 29 61.883 7.765 -12.963 1.00 1.00 H new ATOM 0 HZ2 LYS A 29 63.463 7.219 -13.260 1.00 1.00 H new ATOM 0 HZ3 LYS A 29 62.165 6.125 -13.299 1.00 1.00 H new ATOM 435 N CYS A 30 67.767 3.923 -10.026 1.00 1.00 N ATOM 436 CA CYS A 30 69.026 3.148 -10.217 1.00 1.00 C ATOM 437 C CYS A 30 69.896 3.842 -11.269 1.00 1.00 C ATOM 438 O CYS A 30 69.607 3.809 -12.448 1.00 1.00 O ATOM 439 CB CYS A 30 68.685 1.732 -10.687 1.00 1.00 C ATOM 440 SG CYS A 30 67.223 1.138 -9.800 1.00 1.00 S ATOM 0 H CYS A 30 67.421 4.399 -10.859 1.00 1.00 H new ATOM 0 HA CYS A 30 69.570 3.096 -9.274 1.00 1.00 H new ATOM 0 HB2 CYS A 30 68.498 1.729 -11.761 1.00 1.00 H new ATOM 0 HB3 CYS A 30 69.528 1.065 -10.508 1.00 1.00 H new ATOM 445 N LYS A 31 70.961 4.469 -10.849 1.00 1.00 N ATOM 446 CA LYS A 31 71.852 5.166 -11.821 1.00 1.00 C ATOM 447 C LYS A 31 72.845 4.159 -12.409 1.00 1.00 C ATOM 448 O LYS A 31 73.537 3.466 -11.690 1.00 1.00 O ATOM 449 CB LYS A 31 72.614 6.286 -11.099 1.00 1.00 C ATOM 450 CG LYS A 31 72.817 5.902 -9.632 1.00 1.00 C ATOM 451 CD LYS A 31 73.773 6.896 -8.971 1.00 1.00 C ATOM 452 CE LYS A 31 73.207 8.312 -9.100 1.00 1.00 C ATOM 453 NZ LYS A 31 73.608 8.889 -10.413 1.00 1.00 N ATOM 0 H LYS A 31 71.253 4.529 -9.874 1.00 1.00 H new ATOM 0 HA LYS A 31 71.256 5.597 -12.625 1.00 1.00 H new ATOM 0 HB2 LYS A 31 73.578 6.452 -11.579 1.00 1.00 H new ATOM 0 HB3 LYS A 31 72.058 7.221 -11.168 1.00 1.00 H new ATOM 0 HG2 LYS A 31 71.860 5.900 -9.110 1.00 1.00 H new ATOM 0 HG3 LYS A 31 73.221 4.892 -9.562 1.00 1.00 H new ATOM 0 HD2 LYS A 31 73.909 6.642 -7.920 1.00 1.00 H new ATOM 0 HD3 LYS A 31 74.754 6.841 -9.442 1.00 1.00 H new ATOM 0 HE2 LYS A 31 72.120 8.290 -9.017 1.00 1.00 H new ATOM 0 HE3 LYS A 31 73.576 8.938 -8.288 1.00 1.00 H new ATOM 0 HZ1 LYS A 31 73.971 9.853 -10.272 1.00 1.00 H new ATOM 0 HZ2 LYS A 31 74.350 8.298 -10.840 1.00 1.00 H new ATOM 0 HZ3 LYS A 31 72.783 8.919 -11.046 1.00 1.00 H new ATOM 467 N GLN A 32 72.917 4.072 -13.713 1.00 1.00 N ATOM 468 CA GLN A 32 73.861 3.109 -14.356 1.00 1.00 C ATOM 469 C GLN A 32 74.892 3.876 -15.189 1.00 1.00 C ATOM 470 O GLN A 32 75.075 3.612 -16.361 1.00 1.00 O ATOM 471 CB GLN A 32 73.076 2.164 -15.271 1.00 1.00 C ATOM 472 CG GLN A 32 73.956 0.972 -15.652 1.00 1.00 C ATOM 473 CD GLN A 32 73.372 0.280 -16.886 1.00 1.00 C ATOM 474 OE1 GLN A 32 73.185 -0.920 -16.892 1.00 1.00 O ATOM 475 NE2 GLN A 32 73.075 0.992 -17.938 1.00 1.00 N ATOM 0 H GLN A 32 72.361 4.628 -14.362 1.00 1.00 H new ATOM 0 HA GLN A 32 74.373 2.535 -13.584 1.00 1.00 H new ATOM 0 HB2 GLN A 32 72.175 1.817 -14.765 1.00 1.00 H new ATOM 0 HB3 GLN A 32 72.755 2.693 -16.168 1.00 1.00 H new ATOM 0 HG2 GLN A 32 74.973 1.308 -15.857 1.00 1.00 H new ATOM 0 HG3 GLN A 32 74.014 0.269 -14.821 1.00 1.00 H new ATOM 0 HE21 GLN A 32 73.232 2.000 -17.933 1.00 1.00 H new ATOM 0 HE22 GLN A 32 72.686 0.541 -18.766 1.00 1.00 H new ATOM 484 N ARG A 33 75.568 4.822 -14.596 1.00 1.00 N ATOM 485 CA ARG A 33 76.586 5.600 -15.359 1.00 1.00 C ATOM 486 C ARG A 33 77.202 6.666 -14.443 1.00 1.00 C ATOM 487 O ARG A 33 77.394 7.802 -14.830 1.00 1.00 O ATOM 488 CB ARG A 33 75.912 6.263 -16.577 1.00 1.00 C ATOM 489 CG ARG A 33 76.511 5.695 -17.865 1.00 1.00 C ATOM 490 CD ARG A 33 75.569 5.980 -19.036 1.00 1.00 C ATOM 491 NE ARG A 33 74.546 4.900 -19.125 1.00 1.00 N ATOM 492 CZ ARG A 33 73.937 4.670 -20.255 1.00 1.00 C ATOM 493 NH1 ARG A 33 74.223 5.385 -21.308 1.00 1.00 N ATOM 494 NH2 ARG A 33 73.041 3.724 -20.333 1.00 1.00 N ATOM 0 H ARG A 33 75.460 5.090 -13.618 1.00 1.00 H new ATOM 0 HA ARG A 33 77.377 4.936 -15.710 1.00 1.00 H new ATOM 0 HB2 ARG A 33 74.837 6.083 -16.553 1.00 1.00 H new ATOM 0 HB3 ARG A 33 76.056 7.343 -16.542 1.00 1.00 H new ATOM 0 HG2 ARG A 33 77.487 6.142 -18.053 1.00 1.00 H new ATOM 0 HG3 ARG A 33 76.667 4.621 -17.763 1.00 1.00 H new ATOM 0 HD2 ARG A 33 75.083 6.946 -18.899 1.00 1.00 H new ATOM 0 HD3 ARG A 33 76.135 6.037 -19.966 1.00 1.00 H new ATOM 0 HE ARG A 33 74.322 4.341 -18.302 1.00 1.00 H new ATOM 0 HH11 ARG A 33 74.923 6.124 -21.248 1.00 1.00 H new ATOM 0 HH12 ARG A 33 73.746 5.205 -22.192 1.00 1.00 H new ATOM 0 HH21 ARG A 33 72.817 3.165 -19.510 1.00 1.00 H new ATOM 0 HH22 ARG A 33 72.565 3.544 -21.217 1.00 1.00 H new ATOM 508 N GLN A 34 77.518 6.303 -13.230 1.00 1.00 N ATOM 509 CA GLN A 34 78.126 7.287 -12.288 1.00 1.00 C ATOM 510 C GLN A 34 79.037 6.550 -11.305 1.00 1.00 C ATOM 511 O GLN A 34 78.595 5.717 -10.539 1.00 1.00 O ATOM 512 CB GLN A 34 77.017 8.006 -11.517 1.00 1.00 C ATOM 513 CG GLN A 34 77.640 8.929 -10.468 1.00 1.00 C ATOM 514 CD GLN A 34 76.565 9.856 -9.899 1.00 1.00 C ATOM 515 OE1 GLN A 34 75.941 9.517 -8.804 1.00 1.00 O flip ATOM 516 NE2 GLN A 34 76.288 10.899 -10.457 1.00 1.00 N flip ATOM 0 H GLN A 34 77.381 5.367 -12.850 1.00 1.00 H new ATOM 0 HA GLN A 34 78.710 8.017 -12.848 1.00 1.00 H new ATOM 0 HB2 GLN A 34 76.398 8.584 -12.203 1.00 1.00 H new ATOM 0 HB3 GLN A 34 76.364 7.278 -11.035 1.00 1.00 H new ATOM 0 HG2 GLN A 34 78.086 8.338 -9.668 1.00 1.00 H new ATOM 0 HG3 GLN A 34 78.442 9.516 -10.916 1.00 1.00 H new ATOM 0 HE21 GLN A 34 76.775 11.165 -11.313 1.00 1.00 H new ATOM 0 HE22 GLN A 34 75.568 11.509 -10.070 1.00 1.00 H new ATOM 525 N THR A 35 80.308 6.846 -11.323 1.00 1.00 N ATOM 526 CA THR A 35 81.248 6.159 -10.392 1.00 1.00 C ATOM 527 C THR A 35 80.989 4.651 -10.431 1.00 1.00 C ATOM 528 O THR A 35 80.348 4.100 -9.558 1.00 1.00 O ATOM 529 CB THR A 35 81.031 6.681 -8.968 1.00 1.00 C ATOM 530 OG1 THR A 35 79.638 6.771 -8.706 1.00 1.00 O ATOM 531 CG2 THR A 35 81.669 8.064 -8.826 1.00 1.00 C ATOM 0 H THR A 35 80.736 7.534 -11.942 1.00 1.00 H new ATOM 0 HA THR A 35 82.275 6.359 -10.697 1.00 1.00 H new ATOM 0 HB THR A 35 81.492 5.997 -8.256 1.00 1.00 H new ATOM 0 HG1 THR A 35 79.194 5.951 -9.009 1.00 1.00 H new ATOM 0 HG21 THR A 35 81.514 8.434 -7.813 1.00 1.00 H new ATOM 0 HG22 THR A 35 82.738 7.994 -9.027 1.00 1.00 H new ATOM 0 HG23 THR A 35 81.210 8.751 -9.537 1.00 1.00 H new ATOM 539 N ARG A 36 81.483 3.982 -11.440 1.00 1.00 N ATOM 540 CA ARG A 36 81.270 2.508 -11.547 1.00 1.00 C ATOM 541 C ARG A 36 82.621 1.814 -11.742 1.00 1.00 C ATOM 542 O ARG A 36 82.688 0.642 -12.055 1.00 1.00 O ATOM 543 CB ARG A 36 80.363 2.215 -12.748 1.00 1.00 C ATOM 544 CG ARG A 36 79.678 0.861 -12.555 1.00 1.00 C ATOM 545 CD ARG A 36 78.627 0.973 -11.449 1.00 1.00 C ATOM 546 NE ARG A 36 77.318 0.475 -11.955 1.00 1.00 N ATOM 547 CZ ARG A 36 77.216 -0.743 -12.414 1.00 1.00 C ATOM 548 NH1 ARG A 36 78.261 -1.524 -12.429 1.00 1.00 N ATOM 549 NH2 ARG A 36 76.068 -1.179 -12.858 1.00 1.00 N ATOM 0 H ARG A 36 82.027 4.395 -12.198 1.00 1.00 H new ATOM 0 HA ARG A 36 80.800 2.136 -10.637 1.00 1.00 H new ATOM 0 HB2 ARG A 36 79.615 3.001 -12.852 1.00 1.00 H new ATOM 0 HB3 ARG A 36 80.949 2.210 -13.667 1.00 1.00 H new ATOM 0 HG2 ARG A 36 79.209 0.543 -13.486 1.00 1.00 H new ATOM 0 HG3 ARG A 36 80.416 0.102 -12.294 1.00 1.00 H new ATOM 0 HD2 ARG A 36 78.936 0.394 -10.579 1.00 1.00 H new ATOM 0 HD3 ARG A 36 78.533 2.010 -11.125 1.00 1.00 H new ATOM 0 HE ARG A 36 76.501 1.086 -11.943 1.00 1.00 H new ATOM 0 HH11 ARG A 36 79.158 -1.183 -12.082 1.00 1.00 H new ATOM 0 HH12 ARG A 36 78.181 -2.476 -12.788 1.00 1.00 H new ATOM 0 HH21 ARG A 36 75.251 -0.568 -12.846 1.00 1.00 H new ATOM 0 HH22 ARG A 36 75.988 -2.130 -13.217 1.00 1.00 H new ATOM 563 N GLN A 37 83.697 2.529 -11.561 1.00 1.00 N ATOM 564 CA GLN A 37 85.042 1.910 -11.738 1.00 1.00 C ATOM 565 C GLN A 37 85.420 1.136 -10.473 1.00 1.00 C ATOM 566 O GLN A 37 85.208 -0.054 -10.382 1.00 1.00 O ATOM 567 CB GLN A 37 86.078 3.006 -11.994 1.00 1.00 C ATOM 568 CG GLN A 37 85.731 3.747 -13.287 1.00 1.00 C ATOM 569 CD GLN A 37 86.764 4.846 -13.540 1.00 1.00 C ATOM 570 OE1 GLN A 37 87.867 4.572 -13.969 1.00 1.00 O ATOM 571 NE2 GLN A 37 86.452 6.088 -13.289 1.00 1.00 N ATOM 0 H GLN A 37 83.704 3.515 -11.298 1.00 1.00 H new ATOM 0 HA GLN A 37 85.018 1.227 -12.587 1.00 1.00 H new ATOM 0 HB2 GLN A 37 86.098 3.704 -11.157 1.00 1.00 H new ATOM 0 HB3 GLN A 37 87.074 2.569 -12.069 1.00 1.00 H new ATOM 0 HG2 GLN A 37 85.714 3.050 -14.125 1.00 1.00 H new ATOM 0 HG3 GLN A 37 84.734 4.181 -13.213 1.00 1.00 H new ATOM 0 HE21 GLN A 37 85.526 6.318 -12.929 1.00 1.00 H new ATOM 0 HE22 GLN A 37 87.134 6.828 -13.453 1.00 1.00 H new ATOM 580 N CYS A 38 85.981 1.810 -9.503 1.00 1.00 N ATOM 581 CA CYS A 38 86.383 1.131 -8.236 1.00 1.00 C ATOM 582 C CYS A 38 87.630 0.276 -8.482 1.00 1.00 C ATOM 583 O CYS A 38 88.276 0.388 -9.504 1.00 1.00 O ATOM 584 CB CYS A 38 85.240 0.242 -7.737 1.00 1.00 C ATOM 585 SG CYS A 38 83.666 1.111 -7.940 1.00 1.00 S ATOM 0 H CYS A 38 86.179 2.810 -9.535 1.00 1.00 H new ATOM 0 HA CYS A 38 86.605 1.886 -7.482 1.00 1.00 H new ATOM 0 HB2 CYS A 38 85.225 -0.695 -8.294 1.00 1.00 H new ATOM 0 HB3 CYS A 38 85.394 -0.013 -6.688 1.00 1.00 H new ATOM 590 N LYS A 39 87.972 -0.566 -7.537 1.00 1.00 N ATOM 591 CA LYS A 39 89.185 -1.437 -7.671 1.00 1.00 C ATOM 592 C LYS A 39 90.282 -0.711 -8.455 1.00 1.00 C ATOM 593 O LYS A 39 91.057 -1.319 -9.166 1.00 1.00 O ATOM 594 CB LYS A 39 88.818 -2.762 -8.363 1.00 1.00 C ATOM 595 CG LYS A 39 88.581 -2.526 -9.856 1.00 1.00 C ATOM 596 CD LYS A 39 87.083 -2.608 -10.155 1.00 1.00 C ATOM 597 CE LYS A 39 86.865 -2.650 -11.668 1.00 1.00 C ATOM 598 NZ LYS A 39 87.095 -4.036 -12.165 1.00 1.00 N ATOM 0 H LYS A 39 87.456 -0.689 -6.666 1.00 1.00 H new ATOM 0 HA LYS A 39 89.564 -1.659 -6.673 1.00 1.00 H new ATOM 0 HB2 LYS A 39 89.619 -3.488 -8.224 1.00 1.00 H new ATOM 0 HB3 LYS A 39 87.923 -3.184 -7.907 1.00 1.00 H new ATOM 0 HG2 LYS A 39 88.967 -1.549 -10.146 1.00 1.00 H new ATOM 0 HG3 LYS A 39 89.121 -3.269 -10.443 1.00 1.00 H new ATOM 0 HD2 LYS A 39 86.657 -3.498 -9.691 1.00 1.00 H new ATOM 0 HD3 LYS A 39 86.568 -1.748 -9.727 1.00 1.00 H new ATOM 0 HE2 LYS A 39 85.852 -2.329 -11.909 1.00 1.00 H new ATOM 0 HE3 LYS A 39 87.545 -1.957 -12.163 1.00 1.00 H new ATOM 0 HZ1 LYS A 39 87.511 -3.999 -13.117 1.00 1.00 H new ATOM 0 HZ2 LYS A 39 87.745 -4.532 -11.522 1.00 1.00 H new ATOM 0 HZ3 LYS A 39 86.189 -4.546 -12.203 1.00 1.00 H new ATOM 612 N SER A 40 90.353 0.586 -8.327 1.00 1.00 N ATOM 613 CA SER A 40 91.398 1.356 -9.061 1.00 1.00 C ATOM 614 C SER A 40 91.884 2.519 -8.192 1.00 1.00 C ATOM 615 O SER A 40 92.813 3.220 -8.541 1.00 1.00 O ATOM 616 CB SER A 40 90.807 1.905 -10.360 1.00 1.00 C ATOM 617 OG SER A 40 89.568 2.542 -10.079 1.00 1.00 O ATOM 0 H SER A 40 89.731 1.147 -7.745 1.00 1.00 H new ATOM 0 HA SER A 40 92.237 0.699 -9.290 1.00 1.00 H new ATOM 0 HB2 SER A 40 91.498 2.613 -10.817 1.00 1.00 H new ATOM 0 HB3 SER A 40 90.659 1.097 -11.076 1.00 1.00 H new ATOM 0 HG SER A 40 88.863 1.866 -10.000 1.00 1.00 H new ATOM 623 N LYS A 41 91.263 2.732 -7.062 1.00 1.00 N ATOM 624 CA LYS A 41 91.690 3.853 -6.174 1.00 1.00 C ATOM 625 C LYS A 41 92.667 3.321 -5.116 1.00 1.00 C ATOM 626 O LYS A 41 92.491 2.236 -4.597 1.00 1.00 O ATOM 627 CB LYS A 41 90.461 4.446 -5.477 1.00 1.00 C ATOM 628 CG LYS A 41 89.728 5.382 -6.441 1.00 1.00 C ATOM 629 CD LYS A 41 89.224 4.583 -7.644 1.00 1.00 C ATOM 630 CE LYS A 41 88.174 5.402 -8.397 1.00 1.00 C ATOM 631 NZ LYS A 41 87.030 5.697 -7.489 1.00 1.00 N ATOM 0 H LYS A 41 90.479 2.179 -6.716 1.00 1.00 H new ATOM 0 HA LYS A 41 92.180 4.624 -6.769 1.00 1.00 H new ATOM 0 HB2 LYS A 41 89.794 3.648 -5.151 1.00 1.00 H new ATOM 0 HB3 LYS A 41 90.765 4.992 -4.584 1.00 1.00 H new ATOM 0 HG2 LYS A 41 88.891 5.862 -5.933 1.00 1.00 H new ATOM 0 HG3 LYS A 41 90.397 6.176 -6.773 1.00 1.00 H new ATOM 0 HD2 LYS A 41 90.055 4.340 -8.306 1.00 1.00 H new ATOM 0 HD3 LYS A 41 88.794 3.638 -7.312 1.00 1.00 H new ATOM 0 HE2 LYS A 41 88.613 6.331 -8.760 1.00 1.00 H new ATOM 0 HE3 LYS A 41 87.826 4.852 -9.271 1.00 1.00 H new ATOM 0 HZ1 LYS A 41 86.135 5.525 -7.991 1.00 1.00 H new ATOM 0 HZ2 LYS A 41 87.082 5.080 -6.653 1.00 1.00 H new ATOM 0 HZ3 LYS A 41 87.073 6.692 -7.188 1.00 1.00 H new ATOM 645 N PRO A 42 93.687 4.079 -4.790 1.00 1.00 N ATOM 646 CA PRO A 42 94.697 3.669 -3.769 1.00 1.00 C ATOM 647 C PRO A 42 94.147 3.780 -2.342 1.00 1.00 C ATOM 648 O PRO A 42 93.173 4.463 -2.098 1.00 1.00 O ATOM 649 CB PRO A 42 95.843 4.663 -3.981 1.00 1.00 C ATOM 650 CG PRO A 42 95.193 5.885 -4.540 1.00 1.00 C ATOM 651 CD PRO A 42 93.988 5.405 -5.354 1.00 1.00 C ATOM 0 HA PRO A 42 94.997 2.627 -3.883 1.00 1.00 H new ATOM 0 HB2 PRO A 42 96.355 4.881 -3.044 1.00 1.00 H new ATOM 0 HB3 PRO A 42 96.590 4.264 -4.667 1.00 1.00 H new ATOM 0 HG2 PRO A 42 94.878 6.557 -3.741 1.00 1.00 H new ATOM 0 HG3 PRO A 42 95.889 6.441 -5.168 1.00 1.00 H new ATOM 0 HD2 PRO A 42 93.141 6.084 -5.253 1.00 1.00 H new ATOM 0 HD3 PRO A 42 94.222 5.344 -6.417 1.00 1.00 H new ATOM 659 N PRO A 43 94.772 3.115 -1.405 1.00 1.00 N ATOM 660 CA PRO A 43 94.341 3.143 0.024 1.00 1.00 C ATOM 661 C PRO A 43 94.525 4.532 0.647 1.00 1.00 C ATOM 662 O PRO A 43 95.609 5.081 0.650 1.00 1.00 O ATOM 663 CB PRO A 43 95.252 2.115 0.708 1.00 1.00 C ATOM 664 CG PRO A 43 96.443 1.985 -0.182 1.00 1.00 C ATOM 665 CD PRO A 43 95.958 2.268 -1.604 1.00 1.00 C ATOM 0 HA PRO A 43 93.281 2.913 0.135 1.00 1.00 H new ATOM 0 HB2 PRO A 43 95.541 2.448 1.705 1.00 1.00 H new ATOM 0 HB3 PRO A 43 94.744 1.158 0.827 1.00 1.00 H new ATOM 0 HG2 PRO A 43 97.223 2.689 0.109 1.00 1.00 H new ATOM 0 HG3 PRO A 43 96.873 0.986 -0.111 1.00 1.00 H new ATOM 0 HD2 PRO A 43 96.720 2.778 -2.193 1.00 1.00 H new ATOM 0 HD3 PRO A 43 95.709 1.348 -2.133 1.00 1.00 H new ATOM 673 N LYS A 44 93.472 5.103 1.169 1.00 1.00 N ATOM 674 CA LYS A 44 93.576 6.458 1.788 1.00 1.00 C ATOM 675 C LYS A 44 92.959 6.430 3.188 1.00 1.00 C ATOM 676 O LYS A 44 93.219 7.288 4.008 1.00 1.00 O ATOM 677 CB LYS A 44 92.823 7.471 0.921 1.00 1.00 C ATOM 678 CG LYS A 44 93.478 7.552 -0.459 1.00 1.00 C ATOM 679 CD LYS A 44 92.490 8.156 -1.459 1.00 1.00 C ATOM 680 CE LYS A 44 92.105 9.566 -1.008 1.00 1.00 C ATOM 681 NZ LYS A 44 91.407 10.270 -2.121 1.00 1.00 N ATOM 0 H LYS A 44 92.541 4.688 1.194 1.00 1.00 H new ATOM 0 HA LYS A 44 94.625 6.745 1.860 1.00 1.00 H new ATOM 0 HB2 LYS A 44 91.779 7.175 0.822 1.00 1.00 H new ATOM 0 HB3 LYS A 44 92.833 8.451 1.398 1.00 1.00 H new ATOM 0 HG2 LYS A 44 94.380 8.162 -0.410 1.00 1.00 H new ATOM 0 HG3 LYS A 44 93.782 6.558 -0.788 1.00 1.00 H new ATOM 0 HD2 LYS A 44 92.937 8.190 -2.453 1.00 1.00 H new ATOM 0 HD3 LYS A 44 91.600 7.530 -1.531 1.00 1.00 H new ATOM 0 HE2 LYS A 44 91.457 9.515 -0.133 1.00 1.00 H new ATOM 0 HE3 LYS A 44 92.996 10.121 -0.714 1.00 1.00 H new ATOM 0 HZ1 LYS A 44 91.145 11.229 -1.815 1.00 1.00 H new ATOM 0 HZ2 LYS A 44 92.039 10.330 -2.944 1.00 1.00 H new ATOM 0 HZ3 LYS A 44 90.549 9.743 -2.381 1.00 1.00 H new ATOM 695 N LYS A 45 92.144 5.451 3.468 1.00 1.00 N ATOM 696 CA LYS A 45 91.513 5.372 4.816 1.00 1.00 C ATOM 697 C LYS A 45 90.670 6.629 5.052 1.00 1.00 C ATOM 698 O LYS A 45 91.189 7.694 5.322 1.00 1.00 O ATOM 699 CB LYS A 45 92.612 5.269 5.886 1.00 1.00 C ATOM 700 CG LYS A 45 92.370 4.030 6.751 1.00 1.00 C ATOM 701 CD LYS A 45 93.535 3.852 7.726 1.00 1.00 C ATOM 702 CE LYS A 45 93.182 2.775 8.753 1.00 1.00 C ATOM 703 NZ LYS A 45 92.491 1.645 8.071 1.00 1.00 N ATOM 0 H LYS A 45 91.888 4.703 2.823 1.00 1.00 H new ATOM 0 HA LYS A 45 90.872 4.492 4.875 1.00 1.00 H new ATOM 0 HB2 LYS A 45 93.591 5.208 5.411 1.00 1.00 H new ATOM 0 HB3 LYS A 45 92.614 6.164 6.508 1.00 1.00 H new ATOM 0 HG2 LYS A 45 91.435 4.135 7.301 1.00 1.00 H new ATOM 0 HG3 LYS A 45 92.272 3.147 6.120 1.00 1.00 H new ATOM 0 HD2 LYS A 45 94.437 3.570 7.183 1.00 1.00 H new ATOM 0 HD3 LYS A 45 93.748 4.794 8.230 1.00 1.00 H new ATOM 0 HE2 LYS A 45 94.086 2.418 9.246 1.00 1.00 H new ATOM 0 HE3 LYS A 45 92.540 3.193 9.528 1.00 1.00 H new ATOM 0 HZ1 LYS A 45 92.387 0.851 8.734 1.00 1.00 H new ATOM 0 HZ2 LYS A 45 91.551 1.955 7.752 1.00 1.00 H new ATOM 0 HZ3 LYS A 45 93.052 1.340 7.250 1.00 1.00 H new ATOM 717 N GLY A 46 89.374 6.514 4.952 1.00 1.00 N ATOM 718 CA GLY A 46 88.501 7.702 5.169 1.00 1.00 C ATOM 719 C GLY A 46 88.745 8.269 6.569 1.00 1.00 C ATOM 720 O GLY A 46 89.760 8.013 7.184 1.00 1.00 O ATOM 0 H GLY A 46 88.882 5.649 4.729 1.00 1.00 H new ATOM 0 HA2 GLY A 46 88.710 8.462 4.416 1.00 1.00 H new ATOM 0 HA3 GLY A 46 87.454 7.422 5.057 1.00 1.00 H new ATOM 724 N VAL A 47 87.820 9.038 7.076 1.00 1.00 N ATOM 725 CA VAL A 47 87.996 9.623 8.436 1.00 1.00 C ATOM 726 C VAL A 47 86.624 9.843 9.075 1.00 1.00 C ATOM 727 O VAL A 47 86.512 10.095 10.258 1.00 1.00 O ATOM 728 CB VAL A 47 88.728 10.962 8.325 1.00 1.00 C ATOM 729 CG1 VAL A 47 88.785 11.629 9.701 1.00 1.00 C ATOM 730 CG2 VAL A 47 90.151 10.723 7.816 1.00 1.00 C ATOM 0 H VAL A 47 86.949 9.287 6.607 1.00 1.00 H new ATOM 0 HA VAL A 47 88.580 8.941 9.053 1.00 1.00 H new ATOM 0 HB VAL A 47 88.196 11.610 7.629 1.00 1.00 H new ATOM 0 HG11 VAL A 47 89.307 12.583 9.622 1.00 1.00 H new ATOM 0 HG12 VAL A 47 87.772 11.799 10.065 1.00 1.00 H new ATOM 0 HG13 VAL A 47 89.317 10.981 10.398 1.00 1.00 H new ATOM 0 HG21 VAL A 47 90.674 11.676 7.736 1.00 1.00 H new ATOM 0 HG22 VAL A 47 90.683 10.075 8.513 1.00 1.00 H new ATOM 0 HG23 VAL A 47 90.112 10.248 6.836 1.00 1.00 H new ATOM 740 N GLN A 48 85.578 9.749 8.300 1.00 1.00 N ATOM 741 CA GLN A 48 84.212 9.952 8.861 1.00 1.00 C ATOM 742 C GLN A 48 83.204 9.138 8.045 1.00 1.00 C ATOM 743 O GLN A 48 82.014 9.382 8.087 1.00 1.00 O ATOM 744 CB GLN A 48 83.851 11.442 8.796 1.00 1.00 C ATOM 745 CG GLN A 48 82.921 11.795 9.959 1.00 1.00 C ATOM 746 CD GLN A 48 83.735 11.900 11.250 1.00 1.00 C ATOM 747 OE1 GLN A 48 84.945 12.006 11.212 1.00 1.00 O ATOM 748 NE2 GLN A 48 83.118 11.875 12.400 1.00 1.00 N ATOM 0 H GLN A 48 85.610 9.540 7.302 1.00 1.00 H new ATOM 0 HA GLN A 48 84.187 9.621 9.899 1.00 1.00 H new ATOM 0 HB2 GLN A 48 84.756 12.048 8.843 1.00 1.00 H new ATOM 0 HB3 GLN A 48 83.365 11.668 7.847 1.00 1.00 H new ATOM 0 HG2 GLN A 48 82.413 12.739 9.759 1.00 1.00 H new ATOM 0 HG3 GLN A 48 82.148 11.033 10.065 1.00 1.00 H new ATOM 0 HE21 GLN A 48 82.102 11.786 12.432 1.00 1.00 H new ATOM 0 HE22 GLN A 48 83.651 11.944 13.267 1.00 1.00 H new ATOM 757 N GLY A 49 83.672 8.172 7.303 1.00 1.00 N ATOM 758 CA GLY A 49 82.744 7.343 6.485 1.00 1.00 C ATOM 759 C GLY A 49 82.255 8.154 5.284 1.00 1.00 C ATOM 760 O GLY A 49 81.262 7.827 4.665 1.00 1.00 O ATOM 0 H GLY A 49 84.658 7.921 7.228 1.00 1.00 H new ATOM 0 HA2 GLY A 49 83.251 6.440 6.145 1.00 1.00 H new ATOM 0 HA3 GLY A 49 81.896 7.024 7.091 1.00 1.00 H new ATOM 764 N CYS A 50 82.945 9.212 4.948 1.00 1.00 N ATOM 765 CA CYS A 50 82.518 10.044 3.787 1.00 1.00 C ATOM 766 C CYS A 50 83.748 10.692 3.146 1.00 1.00 C ATOM 767 O CYS A 50 84.399 11.530 3.737 1.00 1.00 O ATOM 768 CB CYS A 50 81.552 11.132 4.269 1.00 1.00 C ATOM 769 SG CYS A 50 80.109 11.185 3.178 1.00 1.00 S ATOM 0 H CYS A 50 83.785 9.535 5.428 1.00 1.00 H new ATOM 0 HA CYS A 50 82.016 9.416 3.051 1.00 1.00 H new ATOM 0 HB2 CYS A 50 81.240 10.928 5.293 1.00 1.00 H new ATOM 0 HB3 CYS A 50 82.052 12.100 4.275 1.00 1.00 H new ATOM 774 N GLY A 51 84.069 10.313 1.939 1.00 1.00 N ATOM 775 CA GLY A 51 85.255 10.910 1.262 1.00 1.00 C ATOM 776 C GLY A 51 85.042 12.415 1.091 1.00 1.00 C ATOM 777 O GLY A 51 84.943 13.150 2.053 1.00 1.00 O ATOM 0 H GLY A 51 83.562 9.617 1.393 1.00 1.00 H new ATOM 0 HA2 GLY A 51 86.154 10.724 1.849 1.00 1.00 H new ATOM 0 HA3 GLY A 51 85.406 10.441 0.290 1.00 1.00 H new ATOM 781 N ASP A 52 84.969 12.880 -0.126 1.00 1.00 N ATOM 782 CA ASP A 52 84.761 14.338 -0.354 1.00 1.00 C ATOM 783 C ASP A 52 84.449 14.585 -1.831 1.00 1.00 C ATOM 784 O ASP A 52 84.194 15.700 -2.243 1.00 1.00 O ATOM 785 CB ASP A 52 86.030 15.101 0.033 1.00 1.00 C ATOM 786 CG ASP A 52 85.733 16.601 0.069 1.00 1.00 C ATOM 787 OD1 ASP A 52 85.219 17.060 1.076 1.00 1.00 O ATOM 788 OD2 ASP A 52 86.024 17.266 -0.912 1.00 1.00 O ATOM 0 H ASP A 52 85.044 12.314 -0.971 1.00 1.00 H new ATOM 0 HA ASP A 52 83.927 14.685 0.256 1.00 1.00 H new ATOM 0 HB2 ASP A 52 86.385 14.766 1.008 1.00 1.00 H new ATOM 0 HB3 ASP A 52 86.824 14.894 -0.684 1.00 1.00 H new ATOM 793 N ASP A 53 84.468 13.555 -2.631 1.00 1.00 N ATOM 794 CA ASP A 53 84.172 13.732 -4.082 1.00 1.00 C ATOM 795 C ASP A 53 82.670 13.567 -4.320 1.00 1.00 C ATOM 796 O ASP A 53 82.251 12.991 -5.303 1.00 1.00 O ATOM 797 CB ASP A 53 84.934 12.677 -4.887 1.00 1.00 C ATOM 798 CG ASP A 53 86.437 12.940 -4.781 1.00 1.00 C ATOM 799 OD1 ASP A 53 86.810 13.846 -4.053 1.00 1.00 O ATOM 800 OD2 ASP A 53 87.190 12.232 -5.429 1.00 1.00 O ATOM 0 H ASP A 53 84.675 12.599 -2.344 1.00 1.00 H new ATOM 0 HA ASP A 53 84.482 14.728 -4.399 1.00 1.00 H new ATOM 0 HB2 ASP A 53 84.701 11.680 -4.512 1.00 1.00 H new ATOM 0 HB3 ASP A 53 84.622 12.706 -5.931 1.00 1.00 H new ATOM 805 N ILE A 54 81.859 14.070 -3.427 1.00 1.00 N ATOM 806 CA ILE A 54 80.379 13.944 -3.590 1.00 1.00 C ATOM 807 C ILE A 54 79.987 14.273 -5.039 1.00 1.00 C ATOM 808 O ILE A 54 79.944 15.422 -5.427 1.00 1.00 O ATOM 809 CB ILE A 54 79.664 14.922 -2.633 1.00 1.00 C ATOM 810 CG1 ILE A 54 80.629 16.041 -2.235 1.00 1.00 C ATOM 811 CG2 ILE A 54 79.212 14.172 -1.379 1.00 1.00 C ATOM 812 CD1 ILE A 54 81.000 16.860 -3.473 1.00 1.00 C ATOM 0 H ILE A 54 82.159 14.565 -2.587 1.00 1.00 H new ATOM 0 HA ILE A 54 80.081 12.922 -3.355 1.00 1.00 H new ATOM 0 HB ILE A 54 78.795 15.349 -3.134 1.00 1.00 H new ATOM 0 HG12 ILE A 54 80.168 16.684 -1.485 1.00 1.00 H new ATOM 0 HG13 ILE A 54 81.526 15.618 -1.783 1.00 1.00 H new ATOM 0 HG21 ILE A 54 78.707 14.863 -0.704 1.00 1.00 H new ATOM 0 HG22 ILE A 54 78.526 13.373 -1.660 1.00 1.00 H new ATOM 0 HG23 ILE A 54 80.080 13.744 -0.878 1.00 1.00 H new ATOM 0 HD11 ILE A 54 81.687 17.657 -3.189 1.00 1.00 H new ATOM 0 HD12 ILE A 54 81.479 16.212 -4.208 1.00 1.00 H new ATOM 0 HD13 ILE A 54 80.099 17.295 -3.905 1.00 1.00 H new ATOM 824 N PRO A 55 79.698 13.272 -5.840 1.00 1.00 N ATOM 825 CA PRO A 55 79.306 13.470 -7.258 1.00 1.00 C ATOM 826 C PRO A 55 77.792 13.644 -7.427 1.00 1.00 C ATOM 827 O PRO A 55 77.331 14.567 -8.068 1.00 1.00 O ATOM 828 CB PRO A 55 79.769 12.173 -7.915 1.00 1.00 C ATOM 829 CG PRO A 55 79.612 11.131 -6.852 1.00 1.00 C ATOM 830 CD PRO A 55 79.721 11.842 -5.495 1.00 1.00 C ATOM 0 HA PRO A 55 79.741 14.372 -7.688 1.00 1.00 H new ATOM 0 HB2 PRO A 55 79.167 11.937 -8.793 1.00 1.00 H new ATOM 0 HB3 PRO A 55 80.804 12.246 -8.248 1.00 1.00 H new ATOM 0 HG2 PRO A 55 78.649 10.628 -6.946 1.00 1.00 H new ATOM 0 HG3 PRO A 55 80.382 10.366 -6.948 1.00 1.00 H new ATOM 0 HD2 PRO A 55 78.893 11.577 -4.838 1.00 1.00 H new ATOM 0 HD3 PRO A 55 80.640 11.571 -4.975 1.00 1.00 H new ATOM 838 N GLY A 56 77.017 12.756 -6.861 1.00 1.00 N ATOM 839 CA GLY A 56 75.534 12.858 -6.995 1.00 1.00 C ATOM 840 C GLY A 56 74.944 13.551 -5.764 1.00 1.00 C ATOM 841 O GLY A 56 74.397 14.632 -5.853 1.00 1.00 O ATOM 0 H GLY A 56 77.348 11.963 -6.311 1.00 1.00 H new ATOM 0 HA2 GLY A 56 75.279 13.418 -7.895 1.00 1.00 H new ATOM 0 HA3 GLY A 56 75.101 11.864 -7.105 1.00 1.00 H new ATOM 845 N MET A 57 75.039 12.934 -4.617 1.00 1.00 N ATOM 846 CA MET A 57 74.470 13.560 -3.389 1.00 1.00 C ATOM 847 C MET A 57 74.764 12.666 -2.178 1.00 1.00 C ATOM 848 O MET A 57 74.940 13.143 -1.074 1.00 1.00 O ATOM 849 CB MET A 57 72.951 13.741 -3.584 1.00 1.00 C ATOM 850 CG MET A 57 72.209 13.306 -2.319 1.00 1.00 C ATOM 851 SD MET A 57 72.117 11.499 -2.265 1.00 1.00 S ATOM 852 CE MET A 57 70.792 11.375 -1.038 1.00 1.00 C ATOM 0 H MET A 57 75.484 12.027 -4.477 1.00 1.00 H new ATOM 0 HA MET A 57 74.924 14.535 -3.212 1.00 1.00 H new ATOM 0 HB2 MET A 57 72.726 14.784 -3.808 1.00 1.00 H new ATOM 0 HB3 MET A 57 72.612 13.152 -4.436 1.00 1.00 H new ATOM 0 HG2 MET A 57 72.725 13.681 -1.435 1.00 1.00 H new ATOM 0 HG3 MET A 57 71.206 13.732 -2.308 1.00 1.00 H new ATOM 0 HE1 MET A 57 70.568 10.325 -0.849 1.00 1.00 H new ATOM 0 HE2 MET A 57 71.109 11.851 -0.110 1.00 1.00 H new ATOM 0 HE3 MET A 57 69.899 11.874 -1.415 1.00 1.00 H new ATOM 862 N GLU A 58 74.814 11.376 -2.370 1.00 1.00 N ATOM 863 CA GLU A 58 75.091 10.466 -1.222 1.00 1.00 C ATOM 864 C GLU A 58 76.530 10.669 -0.743 1.00 1.00 C ATOM 865 O GLU A 58 76.770 11.017 0.396 1.00 1.00 O ATOM 866 CB GLU A 58 74.904 9.006 -1.662 1.00 1.00 C ATOM 867 CG GLU A 58 73.418 8.644 -1.638 1.00 1.00 C ATOM 868 CD GLU A 58 72.835 8.784 -3.046 1.00 1.00 C ATOM 869 OE1 GLU A 58 73.326 9.619 -3.788 1.00 1.00 O ATOM 870 OE2 GLU A 58 71.909 8.054 -3.358 1.00 1.00 O ATOM 0 H GLU A 58 74.676 10.914 -3.269 1.00 1.00 H new ATOM 0 HA GLU A 58 74.400 10.692 -0.410 1.00 1.00 H new ATOM 0 HB2 GLU A 58 75.306 8.865 -2.665 1.00 1.00 H new ATOM 0 HB3 GLU A 58 75.460 8.343 -0.999 1.00 1.00 H new ATOM 0 HG2 GLU A 58 73.287 7.623 -1.279 1.00 1.00 H new ATOM 0 HG3 GLU A 58 72.885 9.296 -0.946 1.00 1.00 H new ATOM 877 N GLY A 59 77.489 10.449 -1.604 1.00 1.00 N ATOM 878 CA GLY A 59 78.917 10.621 -1.203 1.00 1.00 C ATOM 879 C GLY A 59 79.695 9.351 -1.547 1.00 1.00 C ATOM 880 O GLY A 59 79.390 8.276 -1.070 1.00 1.00 O ATOM 0 H GLY A 59 77.344 10.157 -2.570 1.00 1.00 H new ATOM 0 HA2 GLY A 59 79.351 11.478 -1.719 1.00 1.00 H new ATOM 0 HA3 GLY A 59 78.985 10.824 -0.134 1.00 1.00 H new ATOM 884 N CYS A 60 80.698 9.466 -2.373 1.00 1.00 N ATOM 885 CA CYS A 60 81.494 8.264 -2.750 1.00 1.00 C ATOM 886 C CYS A 60 82.889 8.700 -3.205 1.00 1.00 C ATOM 887 O CYS A 60 83.036 9.554 -4.056 1.00 1.00 O ATOM 888 CB CYS A 60 80.788 7.525 -3.892 1.00 1.00 C ATOM 889 SG CYS A 60 79.897 8.716 -4.924 1.00 1.00 S ATOM 0 H CYS A 60 81.001 10.340 -2.803 1.00 1.00 H new ATOM 0 HA CYS A 60 81.585 7.600 -1.890 1.00 1.00 H new ATOM 0 HB2 CYS A 60 81.517 6.981 -4.493 1.00 1.00 H new ATOM 0 HB3 CYS A 60 80.094 6.788 -3.488 1.00 1.00 H new ATOM 894 N GLY A 61 83.914 8.121 -2.642 1.00 1.00 N ATOM 895 CA GLY A 61 85.297 8.503 -3.041 1.00 1.00 C ATOM 896 C GLY A 61 86.281 7.433 -2.564 1.00 1.00 C ATOM 897 O GLY A 61 87.169 7.027 -3.287 1.00 1.00 O ATOM 0 H GLY A 61 83.853 7.400 -1.923 1.00 1.00 H new ATOM 0 HA2 GLY A 61 85.358 8.611 -4.124 1.00 1.00 H new ATOM 0 HA3 GLY A 61 85.557 9.470 -2.610 1.00 1.00 H new ATOM 901 N THR A 62 86.131 6.974 -1.351 1.00 1.00 N ATOM 902 CA THR A 62 87.059 5.931 -0.829 1.00 1.00 C ATOM 903 C THR A 62 86.628 5.522 0.581 1.00 1.00 C ATOM 904 O THR A 62 87.345 4.841 1.287 1.00 1.00 O ATOM 905 CB THR A 62 88.484 6.490 -0.783 1.00 1.00 C ATOM 906 OG1 THR A 62 89.269 5.707 0.105 1.00 1.00 O ATOM 907 CG2 THR A 62 88.450 7.940 -0.296 1.00 1.00 C ATOM 0 H THR A 62 85.407 7.276 -0.700 1.00 1.00 H new ATOM 0 HA THR A 62 87.030 5.061 -1.485 1.00 1.00 H new ATOM 0 HB THR A 62 88.921 6.456 -1.781 1.00 1.00 H new ATOM 0 HG1 THR A 62 88.833 4.841 0.250 1.00 1.00 H new ATOM 0 HG21 THR A 62 89.465 8.337 -0.264 1.00 1.00 H new ATOM 0 HG22 THR A 62 87.848 8.539 -0.979 1.00 1.00 H new ATOM 0 HG23 THR A 62 88.013 7.978 0.702 1.00 1.00 H new ATOM 915 N ASP A 63 85.461 5.933 0.999 1.00 1.00 N ATOM 916 CA ASP A 63 84.987 5.567 2.364 1.00 1.00 C ATOM 917 C ASP A 63 84.663 4.071 2.415 1.00 1.00 C ATOM 918 O ASP A 63 83.817 3.636 3.170 1.00 1.00 O ATOM 919 CB ASP A 63 83.730 6.372 2.700 1.00 1.00 C ATOM 920 CG ASP A 63 82.778 6.356 1.502 1.00 1.00 C ATOM 921 OD1 ASP A 63 83.160 6.862 0.460 1.00 1.00 O ATOM 922 OD2 ASP A 63 81.683 5.837 1.648 1.00 1.00 O ATOM 0 H ASP A 63 84.816 6.506 0.454 1.00 1.00 H new ATOM 0 HA ASP A 63 85.769 5.791 3.089 1.00 1.00 H new ATOM 0 HB2 ASP A 63 83.237 5.949 3.575 1.00 1.00 H new ATOM 0 HB3 ASP A 63 83.999 7.398 2.951 1.00 1.00 H new ATOM 927 N ILE A 64 85.331 3.279 1.620 1.00 1.00 N ATOM 928 CA ILE A 64 85.061 1.815 1.627 1.00 1.00 C ATOM 929 C ILE A 64 86.236 1.080 0.981 1.00 1.00 C ATOM 930 O ILE A 64 86.068 0.152 0.218 1.00 1.00 O ATOM 931 CB ILE A 64 83.764 1.533 0.860 1.00 1.00 C ATOM 932 CG1 ILE A 64 83.632 0.027 0.620 1.00 1.00 C ATOM 933 CG2 ILE A 64 83.797 2.261 -0.485 1.00 1.00 C ATOM 934 CD1 ILE A 64 82.154 -0.368 0.653 1.00 1.00 C ATOM 0 H ILE A 64 86.052 3.584 0.966 1.00 1.00 H new ATOM 0 HA ILE A 64 84.946 1.463 2.652 1.00 1.00 H new ATOM 0 HB ILE A 64 82.913 1.886 1.443 1.00 1.00 H new ATOM 0 HG12 ILE A 64 84.069 -0.238 -0.343 1.00 1.00 H new ATOM 0 HG13 ILE A 64 84.183 -0.523 1.382 1.00 1.00 H new ATOM 0 HG21 ILE A 64 82.875 2.060 -1.030 1.00 1.00 H new ATOM 0 HG22 ILE A 64 83.892 3.334 -0.316 1.00 1.00 H new ATOM 0 HG23 ILE A 64 84.647 1.909 -1.069 1.00 1.00 H new ATOM 0 HD11 ILE A 64 82.060 -1.440 0.482 1.00 1.00 H new ATOM 0 HD12 ILE A 64 81.732 -0.117 1.626 1.00 1.00 H new ATOM 0 HD13 ILE A 64 81.616 0.172 -0.126 1.00 1.00 H new ATOM 946 N THR A 65 87.432 1.474 1.299 1.00 1.00 N ATOM 947 CA THR A 65 88.610 0.779 0.721 1.00 1.00 C ATOM 948 C THR A 65 88.721 -0.582 1.398 1.00 1.00 C ATOM 949 O THR A 65 88.942 -1.595 0.766 1.00 1.00 O ATOM 950 CB THR A 65 89.876 1.597 0.986 1.00 1.00 C ATOM 951 OG1 THR A 65 90.988 0.953 0.382 1.00 1.00 O ATOM 952 CG2 THR A 65 90.106 1.711 2.494 1.00 1.00 C ATOM 0 H THR A 65 87.646 2.245 1.932 1.00 1.00 H new ATOM 0 HA THR A 65 88.496 0.662 -0.357 1.00 1.00 H new ATOM 0 HB THR A 65 89.760 2.595 0.563 1.00 1.00 H new ATOM 0 HG1 THR A 65 91.817 1.383 0.680 1.00 1.00 H new ATOM 0 HG21 THR A 65 91.008 2.294 2.681 1.00 1.00 H new ATOM 0 HG22 THR A 65 89.252 2.206 2.956 1.00 1.00 H new ATOM 0 HG23 THR A 65 90.223 0.715 2.921 1.00 1.00 H new ATOM 960 N VAL A 66 88.547 -0.601 2.690 1.00 1.00 N ATOM 961 CA VAL A 66 88.615 -1.876 3.451 1.00 1.00 C ATOM 962 C VAL A 66 87.825 -1.704 4.749 1.00 1.00 C ATOM 963 O VAL A 66 87.542 -2.655 5.450 1.00 1.00 O ATOM 964 CB VAL A 66 90.074 -2.205 3.788 1.00 1.00 C ATOM 965 CG1 VAL A 66 90.131 -3.495 4.608 1.00 1.00 C ATOM 966 CG2 VAL A 66 90.866 -2.391 2.492 1.00 1.00 C ATOM 0 H VAL A 66 88.358 0.225 3.257 1.00 1.00 H new ATOM 0 HA VAL A 66 88.197 -2.687 2.854 1.00 1.00 H new ATOM 0 HB VAL A 66 90.506 -1.388 4.366 1.00 1.00 H new ATOM 0 HG11 VAL A 66 91.168 -3.728 4.847 1.00 1.00 H new ATOM 0 HG12 VAL A 66 89.566 -3.365 5.531 1.00 1.00 H new ATOM 0 HG13 VAL A 66 89.699 -4.312 4.031 1.00 1.00 H new ATOM 0 HG21 VAL A 66 91.904 -2.625 2.730 1.00 1.00 H new ATOM 0 HG22 VAL A 66 90.433 -3.208 1.915 1.00 1.00 H new ATOM 0 HG23 VAL A 66 90.826 -1.473 1.906 1.00 1.00 H new ATOM 976 N ILE A 67 87.470 -0.486 5.074 1.00 1.00 N ATOM 977 CA ILE A 67 86.701 -0.233 6.327 1.00 1.00 C ATOM 978 C ILE A 67 85.576 0.766 6.051 1.00 1.00 C ATOM 979 O ILE A 67 85.811 1.946 5.880 1.00 1.00 O ATOM 980 CB ILE A 67 87.641 0.336 7.391 1.00 1.00 C ATOM 981 CG1 ILE A 67 88.894 -0.538 7.482 1.00 1.00 C ATOM 982 CG2 ILE A 67 86.931 0.350 8.746 1.00 1.00 C ATOM 983 CD1 ILE A 67 89.804 -0.011 8.594 1.00 1.00 C ATOM 0 H ILE A 67 87.681 0.346 4.522 1.00 1.00 H new ATOM 0 HA ILE A 67 86.269 -1.169 6.682 1.00 1.00 H new ATOM 0 HB ILE A 67 87.924 1.353 7.119 1.00 1.00 H new ATOM 0 HG12 ILE A 67 88.615 -1.572 7.685 1.00 1.00 H new ATOM 0 HG13 ILE A 67 89.425 -0.532 6.530 1.00 1.00 H new ATOM 0 HG21 ILE A 67 87.601 0.756 9.504 1.00 1.00 H new ATOM 0 HG22 ILE A 67 86.037 0.971 8.682 1.00 1.00 H new ATOM 0 HG23 ILE A 67 86.648 -0.667 9.019 1.00 1.00 H new ATOM 0 HD11 ILE A 67 90.697 -0.633 8.659 1.00 1.00 H new ATOM 0 HD12 ILE A 67 90.093 1.016 8.371 1.00 1.00 H new ATOM 0 HD13 ILE A 67 89.271 -0.040 9.545 1.00 1.00 H new ATOM 995 N CYS A 68 84.356 0.304 6.020 1.00 1.00 N ATOM 996 CA CYS A 68 83.207 1.222 5.771 1.00 1.00 C ATOM 997 C CYS A 68 82.236 1.133 6.956 1.00 1.00 C ATOM 998 O CYS A 68 81.965 0.059 7.456 1.00 1.00 O ATOM 999 CB CYS A 68 82.495 0.802 4.480 1.00 1.00 C ATOM 1000 SG CYS A 68 81.562 2.205 3.819 1.00 1.00 S ATOM 0 H CYS A 68 84.104 -0.675 6.157 1.00 1.00 H new ATOM 0 HA CYS A 68 83.561 2.248 5.666 1.00 1.00 H new ATOM 0 HB2 CYS A 68 83.224 0.458 3.746 1.00 1.00 H new ATOM 0 HB3 CYS A 68 81.824 -0.034 4.678 1.00 1.00 H new ATOM 1005 N PRO A 69 81.725 2.250 7.426 1.00 1.00 N ATOM 1006 CA PRO A 69 80.787 2.288 8.584 1.00 1.00 C ATOM 1007 C PRO A 69 79.865 1.063 8.663 1.00 1.00 C ATOM 1008 O PRO A 69 79.326 0.753 9.707 1.00 1.00 O ATOM 1009 CB PRO A 69 79.989 3.560 8.324 1.00 1.00 C ATOM 1010 CG PRO A 69 80.964 4.483 7.667 1.00 1.00 C ATOM 1011 CD PRO A 69 81.972 3.606 6.908 1.00 1.00 C ATOM 0 HA PRO A 69 81.314 2.276 9.538 1.00 1.00 H new ATOM 0 HB2 PRO A 69 79.130 3.366 7.681 1.00 1.00 H new ATOM 0 HB3 PRO A 69 79.604 3.984 9.251 1.00 1.00 H new ATOM 0 HG2 PRO A 69 80.453 5.162 6.984 1.00 1.00 H new ATOM 0 HG3 PRO A 69 81.471 5.100 8.409 1.00 1.00 H new ATOM 0 HD2 PRO A 69 81.814 3.657 5.831 1.00 1.00 H new ATOM 0 HD3 PRO A 69 82.998 3.924 7.095 1.00 1.00 H new ATOM 1019 N TRP A 70 79.683 0.361 7.579 1.00 1.00 N ATOM 1020 CA TRP A 70 78.801 -0.841 7.615 1.00 1.00 C ATOM 1021 C TRP A 70 79.358 -1.843 8.631 1.00 1.00 C ATOM 1022 O TRP A 70 78.628 -2.617 9.217 1.00 1.00 O ATOM 1023 CB TRP A 70 78.758 -1.481 6.222 1.00 1.00 C ATOM 1024 CG TRP A 70 78.312 -2.903 6.338 1.00 1.00 C ATOM 1025 CD1 TRP A 70 77.236 -3.325 7.041 1.00 1.00 C ATOM 1026 CD2 TRP A 70 78.909 -4.095 5.749 1.00 1.00 C ATOM 1027 NE1 TRP A 70 77.133 -4.698 6.921 1.00 1.00 N ATOM 1028 CE2 TRP A 70 78.140 -5.221 6.135 1.00 1.00 C ATOM 1029 CE3 TRP A 70 80.029 -4.308 4.927 1.00 1.00 C ATOM 1030 CZ2 TRP A 70 78.474 -6.512 5.718 1.00 1.00 C ATOM 1031 CZ3 TRP A 70 80.367 -5.603 4.506 1.00 1.00 C ATOM 1032 CH2 TRP A 70 79.592 -6.703 4.900 1.00 1.00 C ATOM 0 H TRP A 70 80.104 0.566 6.673 1.00 1.00 H new ATOM 0 HA TRP A 70 77.792 -0.552 7.908 1.00 1.00 H new ATOM 0 HB2 TRP A 70 78.076 -0.927 5.577 1.00 1.00 H new ATOM 0 HB3 TRP A 70 79.744 -1.435 5.759 1.00 1.00 H new ATOM 0 HD1 TRP A 70 76.566 -2.692 7.604 1.00 1.00 H new ATOM 0 HE1 TRP A 70 76.402 -5.257 7.360 1.00 1.00 H new ATOM 0 HE3 TRP A 70 80.634 -3.469 4.617 1.00 1.00 H new ATOM 0 HZ2 TRP A 70 77.874 -7.356 6.025 1.00 1.00 H new ATOM 0 HZ3 TRP A 70 81.230 -5.754 3.874 1.00 1.00 H new ATOM 0 HH2 TRP A 70 79.858 -7.697 4.572 1.00 1.00 H new ATOM 1043 N GLU A 71 80.648 -1.834 8.841 1.00 1.00 N ATOM 1044 CA GLU A 71 81.261 -2.784 9.815 1.00 1.00 C ATOM 1045 C GLU A 71 81.702 -2.020 11.064 1.00 1.00 C ATOM 1046 O GLU A 71 81.605 -2.512 12.171 1.00 1.00 O ATOM 1047 CB GLU A 71 82.475 -3.450 9.167 1.00 1.00 C ATOM 1048 CG GLU A 71 82.029 -4.242 7.937 1.00 1.00 C ATOM 1049 CD GLU A 71 83.227 -4.467 7.012 1.00 1.00 C ATOM 1050 OE1 GLU A 71 84.299 -3.983 7.335 1.00 1.00 O ATOM 1051 OE2 GLU A 71 83.052 -5.120 5.996 1.00 1.00 O ATOM 0 H GLU A 71 81.306 -1.207 8.378 1.00 1.00 H new ATOM 0 HA GLU A 71 80.532 -3.544 10.097 1.00 1.00 H new ATOM 0 HB2 GLU A 71 83.207 -2.695 8.880 1.00 1.00 H new ATOM 0 HB3 GLU A 71 82.964 -4.113 9.881 1.00 1.00 H new ATOM 0 HG2 GLU A 71 81.606 -5.200 8.242 1.00 1.00 H new ATOM 0 HG3 GLU A 71 81.244 -3.701 7.408 1.00 1.00 H new ATOM 1058 N ALA A 72 82.185 -0.820 10.897 1.00 1.00 N ATOM 1059 CA ALA A 72 82.630 -0.026 12.077 1.00 1.00 C ATOM 1060 C ALA A 72 81.405 0.427 12.875 1.00 1.00 C ATOM 1061 O ALA A 72 81.385 0.365 14.088 1.00 1.00 O ATOM 1062 CB ALA A 72 83.419 1.197 11.603 1.00 1.00 C ATOM 0 H ALA A 72 82.291 -0.355 9.995 1.00 1.00 H new ATOM 0 HA ALA A 72 83.268 -0.641 12.712 1.00 1.00 H new ATOM 0 HB1 ALA A 72 83.744 1.777 12.467 1.00 1.00 H new ATOM 0 HB2 ALA A 72 84.291 0.870 11.036 1.00 1.00 H new ATOM 0 HB3 ALA A 72 82.785 1.816 10.968 1.00 1.00 H new ATOM 1068 N CYS A 73 80.380 0.880 12.203 1.00 1.00 N ATOM 1069 CA CYS A 73 79.157 1.331 12.926 1.00 1.00 C ATOM 1070 C CYS A 73 78.495 0.129 13.601 1.00 1.00 C ATOM 1071 O CYS A 73 78.017 0.215 14.715 1.00 1.00 O ATOM 1072 CB CYS A 73 78.179 1.962 11.932 1.00 1.00 C ATOM 1073 SG CYS A 73 77.034 3.049 12.818 1.00 1.00 S ATOM 0 H CYS A 73 80.337 0.957 11.187 1.00 1.00 H new ATOM 0 HA CYS A 73 79.431 2.068 13.681 1.00 1.00 H new ATOM 0 HB2 CYS A 73 78.725 2.529 11.178 1.00 1.00 H new ATOM 0 HB3 CYS A 73 77.625 1.184 11.407 1.00 1.00 H new ATOM 1078 N ASN A 74 78.465 -0.993 12.935 1.00 1.00 N ATOM 1079 CA ASN A 74 77.837 -2.202 13.536 1.00 1.00 C ATOM 1080 C ASN A 74 76.319 -2.008 13.596 1.00 1.00 C ATOM 1081 O ASN A 74 75.656 -2.492 14.492 1.00 1.00 O ATOM 1082 CB ASN A 74 78.393 -2.415 14.951 1.00 1.00 C ATOM 1083 CG ASN A 74 78.583 -3.911 15.207 1.00 1.00 C ATOM 1084 OD1 ASN A 74 79.296 -4.577 14.483 1.00 1.00 O ATOM 1085 ND2 ASN A 74 77.971 -4.472 16.214 1.00 1.00 N ATOM 0 H ASN A 74 78.849 -1.124 11.999 1.00 1.00 H new ATOM 0 HA ASN A 74 78.064 -3.077 12.927 1.00 1.00 H new ATOM 0 HB2 ASN A 74 79.344 -1.893 15.062 1.00 1.00 H new ATOM 0 HB3 ASN A 74 77.710 -1.993 15.688 1.00 1.00 H new ATOM 0 HD21 ASN A 74 78.091 -5.469 16.393 1.00 1.00 H new ATOM 0 HD22 ASN A 74 77.372 -3.913 16.822 1.00 1.00 H new ATOM 1092 N HIS A 75 75.764 -1.301 12.646 1.00 1.00 N ATOM 1093 CA HIS A 75 74.290 -1.070 12.643 1.00 1.00 C ATOM 1094 C HIS A 75 73.623 -2.043 11.667 1.00 1.00 C ATOM 1095 O HIS A 75 72.531 -1.806 11.189 1.00 1.00 O ATOM 1096 CB HIS A 75 74.005 0.370 12.206 1.00 1.00 C ATOM 1097 CG HIS A 75 72.628 0.769 12.660 1.00 1.00 C ATOM 1098 ND1 HIS A 75 71.556 0.855 11.784 1.00 1.00 N ATOM 1099 CD2 HIS A 75 72.131 1.108 13.896 1.00 1.00 C ATOM 1100 CE1 HIS A 75 70.478 1.232 12.494 1.00 1.00 C ATOM 1101 NE2 HIS A 75 70.775 1.399 13.785 1.00 1.00 N ATOM 0 H HIS A 75 76.270 -0.873 11.871 1.00 1.00 H new ATOM 0 HA HIS A 75 73.892 -1.233 13.644 1.00 1.00 H new ATOM 0 HB2 HIS A 75 74.749 1.044 12.631 1.00 1.00 H new ATOM 0 HB3 HIS A 75 74.081 0.454 11.122 1.00 1.00 H new ATOM 0 HD2 HIS A 75 72.704 1.143 14.811 1.00 1.00 H new ATOM 0 HE1 HIS A 75 69.495 1.381 12.073 1.00 1.00 H new ATOM 0 HE2 HIS A 75 70.141 1.681 14.533 1.00 1.00 H new ATOM 1110 N CYS A 76 74.272 -3.139 11.369 1.00 1.00 N ATOM 1111 CA CYS A 76 73.686 -4.134 10.429 1.00 1.00 C ATOM 1112 C CYS A 76 73.823 -5.532 11.033 1.00 1.00 C ATOM 1113 O CYS A 76 74.105 -5.689 12.205 1.00 1.00 O ATOM 1114 CB CYS A 76 74.439 -4.081 9.097 1.00 1.00 C ATOM 1115 SG CYS A 76 73.436 -4.851 7.802 1.00 1.00 S ATOM 0 H CYS A 76 75.189 -3.387 11.741 1.00 1.00 H new ATOM 0 HA CYS A 76 72.634 -3.906 10.260 1.00 1.00 H new ATOM 0 HB2 CYS A 76 74.660 -3.047 8.833 1.00 1.00 H new ATOM 0 HB3 CYS A 76 75.394 -4.598 9.187 1.00 1.00 H new ATOM 1120 N GLU A 77 73.637 -6.545 10.240 1.00 1.00 N ATOM 1121 CA GLU A 77 73.767 -7.934 10.759 1.00 1.00 C ATOM 1122 C GLU A 77 75.247 -8.240 10.999 1.00 1.00 C ATOM 1123 O GLU A 77 75.940 -7.511 11.683 1.00 1.00 O ATOM 1124 CB GLU A 77 73.200 -8.919 9.732 1.00 1.00 C ATOM 1125 CG GLU A 77 71.734 -8.580 9.454 1.00 1.00 C ATOM 1126 CD GLU A 77 70.884 -8.953 10.669 1.00 1.00 C ATOM 1127 OE1 GLU A 77 70.417 -10.079 10.718 1.00 1.00 O ATOM 1128 OE2 GLU A 77 70.714 -8.107 11.531 1.00 1.00 O ATOM 0 H GLU A 77 73.400 -6.473 9.251 1.00 1.00 H new ATOM 0 HA GLU A 77 73.215 -8.032 11.694 1.00 1.00 H new ATOM 0 HB2 GLU A 77 73.777 -8.870 8.809 1.00 1.00 H new ATOM 0 HB3 GLU A 77 73.284 -9.939 10.106 1.00 1.00 H new ATOM 0 HG2 GLU A 77 71.631 -7.517 9.237 1.00 1.00 H new ATOM 0 HG3 GLU A 77 71.386 -9.120 8.574 1.00 1.00 H new ATOM 1135 N LEU A 78 75.740 -9.307 10.433 1.00 1.00 N ATOM 1136 CA LEU A 78 77.177 -9.657 10.617 1.00 1.00 C ATOM 1137 C LEU A 78 78.032 -8.409 10.377 1.00 1.00 C ATOM 1138 O LEU A 78 77.665 -7.530 9.622 1.00 1.00 O ATOM 1139 CB LEU A 78 77.557 -10.750 9.614 1.00 1.00 C ATOM 1140 CG LEU A 78 79.037 -11.101 9.771 1.00 1.00 C ATOM 1141 CD1 LEU A 78 79.277 -11.698 11.159 1.00 1.00 C ATOM 1142 CD2 LEU A 78 79.434 -12.123 8.703 1.00 1.00 C ATOM 0 H LEU A 78 75.208 -9.953 9.850 1.00 1.00 H new ATOM 0 HA LEU A 78 77.348 -10.021 11.630 1.00 1.00 H new ATOM 0 HB2 LEU A 78 76.944 -11.636 9.777 1.00 1.00 H new ATOM 0 HB3 LEU A 78 77.360 -10.409 8.598 1.00 1.00 H new ATOM 0 HG LEU A 78 79.638 -10.199 9.655 1.00 1.00 H new ATOM 0 HD11 LEU A 78 80.332 -11.948 11.270 1.00 1.00 H new ATOM 0 HD12 LEU A 78 78.994 -10.972 11.921 1.00 1.00 H new ATOM 0 HD13 LEU A 78 78.676 -12.600 11.276 1.00 1.00 H new ATOM 0 HD21 LEU A 78 80.489 -12.374 8.814 1.00 1.00 H new ATOM 0 HD22 LEU A 78 78.832 -13.024 8.820 1.00 1.00 H new ATOM 0 HD23 LEU A 78 79.264 -11.700 7.713 1.00 1.00 H new ATOM 1154 N HIS A 79 79.164 -8.321 11.016 1.00 1.00 N ATOM 1155 CA HIS A 79 80.033 -7.126 10.826 1.00 1.00 C ATOM 1156 C HIS A 79 81.478 -7.489 11.183 1.00 1.00 C ATOM 1157 O HIS A 79 81.731 -8.219 12.121 1.00 1.00 O ATOM 1158 CB HIS A 79 79.536 -5.990 11.733 1.00 1.00 C ATOM 1159 CG HIS A 79 78.770 -6.573 12.889 1.00 1.00 C ATOM 1160 ND1 HIS A 79 77.574 -6.221 13.468 1.00 1.00 N flip ATOM 1161 CD2 HIS A 79 79.228 -7.670 13.601 1.00 1.00 C flip ATOM 1162 CE1 HIS A 79 77.298 -7.087 14.521 1.00 1.00 C flip ATOM 1163 NE2 HIS A 79 78.324 -7.940 14.560 1.00 1.00 N flip ATOM 0 H HIS A 79 79.525 -9.024 11.661 1.00 1.00 H new ATOM 0 HA HIS A 79 79.993 -6.799 9.787 1.00 1.00 H new ATOM 0 HB2 HIS A 79 80.380 -5.406 12.099 1.00 1.00 H new ATOM 0 HB3 HIS A 79 78.900 -5.310 11.167 1.00 1.00 H new ATOM 0 HD2 HIS A 79 80.145 -8.211 13.419 1.00 1.00 H new ATOM 0 HE1 HIS A 79 76.435 -7.072 15.170 1.00 1.00 H new ATOM 0 HE2 HIS A 79 78.412 -8.701 15.233 1.00 1.00 H new ATOM 1172 N GLU A 80 82.425 -6.991 10.436 1.00 1.00 N ATOM 1173 CA GLU A 80 83.853 -7.308 10.719 1.00 1.00 C ATOM 1174 C GLU A 80 84.714 -6.683 9.615 1.00 1.00 C ATOM 1175 O GLU A 80 84.298 -5.760 8.945 1.00 1.00 O ATOM 1176 CB GLU A 80 84.042 -8.838 10.739 1.00 1.00 C ATOM 1177 CG GLU A 80 84.464 -9.283 12.141 1.00 1.00 C ATOM 1178 CD GLU A 80 85.934 -8.924 12.370 1.00 1.00 C ATOM 1179 OE1 GLU A 80 86.757 -9.344 11.573 1.00 1.00 O ATOM 1180 OE2 GLU A 80 86.211 -8.235 13.338 1.00 1.00 O ATOM 0 H GLU A 80 82.270 -6.375 9.638 1.00 1.00 H new ATOM 0 HA GLU A 80 84.149 -6.906 11.688 1.00 1.00 H new ATOM 0 HB2 GLU A 80 83.114 -9.333 10.453 1.00 1.00 H new ATOM 0 HB3 GLU A 80 84.798 -9.131 10.010 1.00 1.00 H new ATOM 0 HG2 GLU A 80 83.839 -8.798 12.891 1.00 1.00 H new ATOM 0 HG3 GLU A 80 84.320 -10.358 12.252 1.00 1.00 H new ATOM 1187 N LEU A 81 85.904 -7.175 9.413 1.00 1.00 N ATOM 1188 CA LEU A 81 86.771 -6.603 8.344 1.00 1.00 C ATOM 1189 C LEU A 81 86.443 -7.290 7.018 1.00 1.00 C ATOM 1190 O LEU A 81 87.224 -7.275 6.087 1.00 1.00 O ATOM 1191 CB LEU A 81 88.241 -6.842 8.700 1.00 1.00 C ATOM 1192 CG LEU A 81 88.463 -6.547 10.184 1.00 1.00 C ATOM 1193 CD1 LEU A 81 89.963 -6.547 10.487 1.00 1.00 C ATOM 1194 CD2 LEU A 81 87.876 -5.175 10.523 1.00 1.00 C ATOM 0 H LEU A 81 86.314 -7.946 9.940 1.00 1.00 H new ATOM 0 HA LEU A 81 86.594 -5.531 8.255 1.00 1.00 H new ATOM 0 HB2 LEU A 81 88.516 -7.873 8.479 1.00 1.00 H new ATOM 0 HB3 LEU A 81 88.882 -6.203 8.092 1.00 1.00 H new ATOM 0 HG LEU A 81 87.972 -7.313 10.784 1.00 1.00 H new ATOM 0 HD11 LEU A 81 90.121 -6.337 11.545 1.00 1.00 H new ATOM 0 HD12 LEU A 81 90.383 -7.523 10.245 1.00 1.00 H new ATOM 0 HD13 LEU A 81 90.455 -5.781 9.888 1.00 1.00 H new ATOM 0 HD21 LEU A 81 88.033 -4.963 11.581 1.00 1.00 H new ATOM 0 HD22 LEU A 81 88.368 -4.410 9.922 1.00 1.00 H new ATOM 0 HD23 LEU A 81 86.807 -5.173 10.308 1.00 1.00 H new ATOM 1206 N ALA A 82 85.293 -7.899 6.929 1.00 1.00 N ATOM 1207 CA ALA A 82 84.911 -8.596 5.670 1.00 1.00 C ATOM 1208 C ALA A 82 84.679 -7.571 4.561 1.00 1.00 C ATOM 1209 O ALA A 82 84.258 -7.911 3.473 1.00 1.00 O ATOM 1210 CB ALA A 82 83.630 -9.400 5.899 1.00 1.00 C ATOM 0 H ALA A 82 84.600 -7.944 7.676 1.00 1.00 H new ATOM 0 HA ALA A 82 85.715 -9.269 5.374 1.00 1.00 H new ATOM 0 HB1 ALA A 82 83.351 -9.910 4.977 1.00 1.00 H new ATOM 0 HB2 ALA A 82 83.798 -10.137 6.685 1.00 1.00 H new ATOM 0 HB3 ALA A 82 82.827 -8.727 6.199 1.00 1.00 H new ATOM 1216 N GLN A 83 84.951 -6.318 4.820 1.00 1.00 N ATOM 1217 CA GLN A 83 84.743 -5.286 3.766 1.00 1.00 C ATOM 1218 C GLN A 83 85.322 -5.804 2.450 1.00 1.00 C ATOM 1219 O GLN A 83 84.657 -5.831 1.434 1.00 1.00 O ATOM 1220 CB GLN A 83 85.449 -3.987 4.164 1.00 1.00 C ATOM 1221 CG GLN A 83 84.815 -2.811 3.418 1.00 1.00 C ATOM 1222 CD GLN A 83 83.499 -2.425 4.097 1.00 1.00 C ATOM 1223 OE1 GLN A 83 83.451 -2.247 5.298 1.00 1.00 O ATOM 1224 NE2 GLN A 83 82.422 -2.288 3.374 1.00 1.00 N ATOM 0 H GLN A 83 85.306 -5.968 5.710 1.00 1.00 H new ATOM 0 HA GLN A 83 83.678 -5.087 3.650 1.00 1.00 H new ATOM 0 HB2 GLN A 83 85.371 -3.833 5.240 1.00 1.00 H new ATOM 0 HB3 GLN A 83 86.511 -4.051 3.928 1.00 1.00 H new ATOM 0 HG2 GLN A 83 85.497 -1.960 3.412 1.00 1.00 H new ATOM 0 HG3 GLN A 83 84.634 -3.082 2.378 1.00 1.00 H new ATOM 0 HE21 GLN A 83 82.462 -2.437 2.366 1.00 1.00 H new ATOM 0 HE22 GLN A 83 81.540 -2.031 3.817 1.00 1.00 H new ATOM 1233 N TYR A 84 86.556 -6.232 2.467 1.00 1.00 N ATOM 1234 CA TYR A 84 87.182 -6.769 1.227 1.00 1.00 C ATOM 1235 C TYR A 84 87.237 -8.294 1.328 1.00 1.00 C ATOM 1236 O TYR A 84 88.043 -8.942 0.692 1.00 1.00 O ATOM 1237 CB TYR A 84 88.602 -6.205 1.078 1.00 1.00 C ATOM 1238 CG TYR A 84 88.919 -6.025 -0.387 1.00 1.00 C ATOM 1239 CD1 TYR A 84 88.585 -4.829 -1.034 1.00 1.00 C ATOM 1240 CD2 TYR A 84 89.548 -7.053 -1.099 1.00 1.00 C ATOM 1241 CE1 TYR A 84 88.880 -4.661 -2.392 1.00 1.00 C ATOM 1242 CE2 TYR A 84 89.843 -6.886 -2.457 1.00 1.00 C ATOM 1243 CZ TYR A 84 89.508 -5.690 -3.104 1.00 1.00 C ATOM 1244 OH TYR A 84 89.798 -5.525 -4.443 1.00 1.00 O ATOM 0 H TYR A 84 87.158 -6.232 3.290 1.00 1.00 H new ATOM 0 HA TYR A 84 86.595 -6.477 0.356 1.00 1.00 H new ATOM 0 HB2 TYR A 84 88.683 -5.251 1.599 1.00 1.00 H new ATOM 0 HB3 TYR A 84 89.324 -6.881 1.537 1.00 1.00 H new ATOM 0 HD1 TYR A 84 88.100 -4.036 -0.485 1.00 1.00 H new ATOM 0 HD2 TYR A 84 89.806 -7.976 -0.600 1.00 1.00 H new ATOM 0 HE1 TYR A 84 88.623 -3.738 -2.890 1.00 1.00 H new ATOM 0 HE2 TYR A 84 90.329 -7.679 -3.006 1.00 1.00 H new ATOM 0 HH TYR A 84 90.234 -6.333 -4.785 1.00 1.00 H new ATOM 1254 N GLY A 85 86.381 -8.867 2.130 1.00 1.00 N ATOM 1255 CA GLY A 85 86.374 -10.349 2.284 1.00 1.00 C ATOM 1256 C GLY A 85 85.693 -10.985 1.075 1.00 1.00 C ATOM 1257 O GLY A 85 85.879 -12.151 0.790 1.00 1.00 O ATOM 0 H GLY A 85 85.685 -8.371 2.686 1.00 1.00 H new ATOM 0 HA2 GLY A 85 87.395 -10.720 2.376 1.00 1.00 H new ATOM 0 HA3 GLY A 85 85.850 -10.628 3.198 1.00 1.00 H new ATOM 1261 N ILE A 86 84.903 -10.228 0.363 1.00 1.00 N ATOM 1262 CA ILE A 86 84.205 -10.787 -0.830 1.00 1.00 C ATOM 1263 C ILE A 86 84.308 -9.799 -1.998 1.00 1.00 C ATOM 1264 O ILE A 86 84.234 -10.179 -3.150 1.00 1.00 O ATOM 1265 CB ILE A 86 82.732 -11.020 -0.490 1.00 1.00 C ATOM 1266 CG1 ILE A 86 81.964 -11.367 -1.767 1.00 1.00 C ATOM 1267 CG2 ILE A 86 82.143 -9.751 0.128 1.00 1.00 C ATOM 1268 CD1 ILE A 86 80.609 -11.975 -1.399 1.00 1.00 C ATOM 0 H ILE A 86 84.711 -9.245 0.556 1.00 1.00 H new ATOM 0 HA ILE A 86 84.671 -11.731 -1.114 1.00 1.00 H new ATOM 0 HB ILE A 86 82.649 -11.842 0.221 1.00 1.00 H new ATOM 0 HG12 ILE A 86 81.820 -10.472 -2.372 1.00 1.00 H new ATOM 0 HG13 ILE A 86 82.538 -12.070 -2.370 1.00 1.00 H new ATOM 0 HG21 ILE A 86 81.093 -9.918 0.370 1.00 1.00 H new ATOM 0 HG22 ILE A 86 82.690 -9.501 1.037 1.00 1.00 H new ATOM 0 HG23 ILE A 86 82.225 -8.928 -0.582 1.00 1.00 H new ATOM 0 HD11 ILE A 86 80.062 -12.222 -2.309 1.00 1.00 H new ATOM 0 HD12 ILE A 86 80.764 -12.880 -0.811 1.00 1.00 H new ATOM 0 HD13 ILE A 86 80.035 -11.257 -0.814 1.00 1.00 H new ATOM 1280 N CYS A 87 84.476 -8.533 -1.715 1.00 1.00 N ATOM 1281 CA CYS A 87 84.581 -7.533 -2.816 1.00 1.00 C ATOM 1282 C CYS A 87 86.005 -7.538 -3.377 1.00 1.00 C ATOM 1283 CB CYS A 87 84.252 -6.139 -2.277 1.00 1.00 C ATOM 1284 SG CYS A 87 82.592 -6.146 -1.556 1.00 1.00 S ATOM 0 H CYS A 87 84.545 -8.151 -0.772 1.00 1.00 H new ATOM 0 HA CYS A 87 83.877 -7.792 -3.607 1.00 1.00 H new ATOM 0 HB2 CYS A 87 84.985 -5.846 -1.525 1.00 1.00 H new ATOM 0 HB3 CYS A 87 84.308 -5.404 -3.080 1.00 1.00 H new TER 1289 CYS A 87 HETATM 1290 C1C RCY A 110 58.368 -10.772 0.540 1.00 1.00 C HETATM 1291 O1G RCY A 110 61.557 -11.766 4.935 1.00 1.00 O HETATM 1292 O1H RCY A 110 60.552 -12.397 0.364 1.00 1.00 O HETATM 1293 O1J RCY A 110 56.890 -8.366 1.586 1.00 1.00 O HETATM 1294 C1L RCY A 110 62.641 -13.028 3.140 1.00 1.00 C HETATM 1295 C1M RCY A 110 59.461 -9.918 3.971 1.00 1.00 C HETATM 1296 C1P RCY A 110 61.555 -12.142 3.764 1.00 1.00 C HETATM 1297 C1Q RCY A 110 60.897 -12.591 1.529 1.00 1.00 C HETATM 1298 N1R RCY A 110 60.469 -11.786 2.749 1.00 1.00 N HETATM 1299 C1S RCY A 110 61.832 -13.683 2.016 1.00 1.00 C HETATM 1300 C1U RCY A 110 59.261 -10.861 2.908 1.00 1.00 C HETATM 1301 C1V RCY A 110 60.298 -9.278 1.225 1.00 1.00 C HETATM 1302 N1V RCY A 110 58.035 -8.977 2.255 1.00 1.00 N HETATM 1303 C1W RCY A 110 58.511 -8.747 3.688 1.00 1.00 C HETATM 1304 C1X RCY A 110 59.019 -9.985 1.679 1.00 1.00 C HETATM 1305 C1Y RCY A 110 59.255 -7.413 3.797 1.00 1.00 C HETATM 1306 C1Z RCY A 110 57.305 -8.770 4.626 1.00 1.00 C HETATM 0 H1ZB RCY A 110 56.756 -9.702 4.490 1.00 1.00 H new HETATM 0 H1ZA RCY A 110 57.646 -8.697 5.659 1.00 1.00 H new HETATM 0 H1YB RCY A 110 59.661 -7.304 4.803 1.00 1.00 H new HETATM 0 H1YA RCY A 110 60.069 -7.390 3.073 1.00 1.00 H new HETATM 0 H1VB RCY A 110 61.015 -10.017 0.867 1.00 1.00 H new HETATM 0 H1VA RCY A 110 60.063 -8.582 0.420 1.00 1.00 H new HETATM 0 H1MA RCY A 110 59.244 -10.370 4.939 1.00 1.00 H new HETATM 0 H1LA RCY A 110 63.486 -12.451 2.764 1.00 1.00 H new HETATM 0 H1CA RCY A 110 57.408 -11.167 0.873 1.00 1.00 H new HETATM 0 H1Z RCY A 110 56.652 -7.927 4.399 1.00 1.00 H new HETATM 0 H1Y RCY A 110 58.565 -6.594 3.593 1.00 1.00 H new HETATM 0 H1V RCY A 110 60.729 -8.731 2.064 1.00 1.00 H new HETATM 0 H1U RCY A 110 58.426 -11.538 3.089 1.00 1.00 H new HETATM 0 H1S RCY A 110 61.276 -14.547 2.380 1.00 1.00 H new HETATM 0 H1M RCY A 110 60.497 -9.580 4.002 1.00 1.00 H new HETATM 0 H1L RCY A 110 63.041 -13.756 3.845 1.00 1.00 H new HETATM 1309 C1C RCY A 121 63.850 1.014 -1.920 1.00 1.00 C HETATM 1310 O1G RCY A 121 62.364 4.687 0.127 1.00 1.00 O HETATM 1311 O1H RCY A 121 61.253 0.216 1.162 1.00 1.00 O HETATM 1312 O1J RCY A 121 63.154 1.589 -4.793 1.00 1.00 O HETATM 1313 C1L RCY A 121 62.110 3.469 2.234 1.00 1.00 C HETATM 1314 C1M RCY A 121 60.724 2.978 -2.171 1.00 1.00 C HETATM 1315 C1P RCY A 121 62.081 3.642 0.710 1.00 1.00 C HETATM 1316 C1Q RCY A 121 61.323 1.443 1.182 1.00 1.00 C HETATM 1317 N1R RCY A 121 61.655 2.354 0.006 1.00 1.00 N HETATM 1318 C1S RCY A 121 61.092 2.334 2.389 1.00 1.00 C HETATM 1319 C1U RCY A 121 61.579 2.048 -1.491 1.00 1.00 C HETATM 1320 C1V RCY A 121 63.595 3.535 -1.861 1.00 1.00 C HETATM 1321 N1V RCY A 121 62.472 2.189 -3.650 1.00 1.00 N HETATM 1322 C1W RCY A 121 61.145 2.945 -3.645 1.00 1.00 C HETATM 1323 C1X RCY A 121 62.925 2.201 -2.196 1.00 1.00 C HETATM 1324 C1Y RCY A 121 61.336 4.366 -4.182 1.00 1.00 C HETATM 1325 C1Z RCY A 121 60.130 2.180 -4.496 1.00 1.00 C HETATM 0 H1ZB RCY A 121 60.052 1.154 -4.135 1.00 1.00 H new HETATM 0 H1VB RCY A 121 63.866 3.551 -0.805 1.00 1.00 H new HETATM 0 H1VA RCY A 121 64.493 3.654 -2.468 1.00 1.00 H new HETATM 0 H1MA RCY A 121 59.677 2.698 -2.059 1.00 1.00 H new HETATM 0 H1LA RCY A 121 63.098 3.197 2.604 1.00 1.00 H new HETATM 0 H1CB RCY A 121 64.033 0.937 -0.848 1.00 1.00 H new HETATM 0 H1CA RCY A 121 63.381 0.097 -2.275 1.00 1.00 H new HETATM 0 H1Z RCY A 121 60.457 2.175 -5.536 1.00 1.00 H new HETATM 0 H1Y RCY A 121 61.635 4.322 -5.229 1.00 1.00 H new HETATM 0 H1V RCY A 121 62.905 4.352 -2.071 1.00 1.00 H new HETATM 0 H1U RCY A 121 61.216 1.021 -1.537 1.00 1.00 H new HETATM 0 H1S RCY A 121 60.072 2.717 2.409 1.00 1.00 H new HETATM 0 H1L RCY A 121 61.810 4.374 2.762 1.00 1.00 H new HETATM 0 H1C RCY A 121 64.797 1.162 -2.440 1.00 1.00 H new HETATM 1328 C1C RCY A 130 69.832 5.001 -7.844 1.00 1.00 C HETATM 1329 O1G RCY A 130 69.518 0.426 -5.258 1.00 1.00 O HETATM 1330 O1H RCY A 130 69.095 3.329 -8.959 1.00 1.00 O HETATM 1331 O1J RCY A 130 67.721 5.741 -5.828 1.00 1.00 O HETATM 1332 C1L RCY A 130 68.333 0.257 -7.392 1.00 1.00 C HETATM 1333 C1M RCY A 130 70.392 3.268 -4.623 1.00 1.00 C HETATM 1334 C1P RCY A 130 69.194 0.945 -6.325 1.00 1.00 C HETATM 1335 C1Q RCY A 130 68.848 2.518 -8.068 1.00 1.00 C HETATM 1336 N1R RCY A 130 69.600 2.355 -6.753 1.00 1.00 N HETATM 1337 C1S RCY A 130 67.732 1.489 -8.078 1.00 1.00 C HETATM 1338 C1U RCY A 130 70.521 3.353 -6.050 1.00 1.00 C HETATM 1339 C1V RCY A 130 71.266 5.769 -5.899 1.00 1.00 C HETATM 1340 N1V RCY A 130 68.923 4.976 -5.511 1.00 1.00 N HETATM 1341 C1W RCY A 130 69.208 4.166 -4.247 1.00 1.00 C HETATM 1342 C1X RCY A 130 70.171 4.807 -6.365 1.00 1.00 C HETATM 1343 C1Y RCY A 130 69.583 5.096 -3.089 1.00 1.00 C HETATM 1344 C1Z RCY A 130 67.972 3.338 -3.894 1.00 1.00 C HETATM 0 H1ZB RCY A 130 67.686 2.728 -4.751 1.00 1.00 H new HETATM 0 H1ZA RCY A 130 68.198 2.690 -3.047 1.00 1.00 H new HETATM 0 H1YB RCY A 130 69.864 4.500 -2.220 1.00 1.00 H new HETATM 0 H1YA RCY A 130 70.423 5.725 -3.385 1.00 1.00 H new HETATM 0 H1VB RCY A 130 72.172 5.599 -6.481 1.00 1.00 H new HETATM 0 H1VA RCY A 130 70.932 6.797 -6.040 1.00 1.00 H new HETATM 0 H1MA RCY A 130 70.216 2.239 -4.309 1.00 1.00 H new HETATM 0 H1LA RCY A 130 68.924 -0.354 -8.074 1.00 1.00 H new HETATM 0 H1CB RCY A 130 70.689 4.715 -8.454 1.00 1.00 H new HETATM 0 H1CA RCY A 130 68.976 4.379 -8.106 1.00 1.00 H new HETATM 0 H1Z RCY A 130 67.150 4.004 -3.632 1.00 1.00 H new HETATM 0 H1Y RCY A 130 68.730 5.725 -2.837 1.00 1.00 H new HETATM 0 H1V RCY A 130 71.476 5.597 -4.843 1.00 1.00 H new HETATM 0 H1U RCY A 130 71.518 3.094 -6.405 1.00 1.00 H new HETATM 0 H1S RCY A 130 66.854 1.851 -7.543 1.00 1.00 H new HETATM 0 H1M RCY A 130 71.305 3.600 -4.129 1.00 1.00 H new HETATM 0 H1L RCY A 130 67.572 -0.393 -6.959 1.00 1.00 H new HETATM 0 H1C RCY A 130 69.589 6.048 -8.027 1.00 1.00 H new HETATM 1347 C1C RCY A 138 82.838 4.124 -2.113 1.00 1.00 C HETATM 1348 O1G RCY A 138 82.092 3.948 -3.955 1.00 1.00 O HETATM 1349 O1H RCY A 138 85.131 0.621 -5.366 1.00 1.00 O HETATM 1350 O1J RCY A 138 81.291 1.695 -1.231 1.00 1.00 O HETATM 1351 C1L RCY A 138 82.387 2.732 -6.058 1.00 1.00 C HETATM 1352 C1M RCY A 138 84.928 1.074 -2.275 1.00 1.00 C HETATM 1353 C1P RCY A 138 82.729 3.130 -4.616 1.00 1.00 C HETATM 1354 C1Q RCY A 138 84.401 1.611 -5.341 1.00 1.00 C HETATM 1355 N1R RCY A 138 83.959 2.383 -4.104 1.00 1.00 N HETATM 1356 C1S RCY A 138 83.771 2.290 -6.543 1.00 1.00 C HETATM 1357 C1U RCY A 138 84.593 2.399 -2.712 1.00 1.00 C HETATM 1358 C1V RCY A 138 84.371 3.198 -0.319 1.00 1.00 C HETATM 1359 N1V RCY A 138 82.730 1.703 -1.478 1.00 1.00 N HETATM 1360 C1W RCY A 138 83.656 0.499 -1.639 1.00 1.00 C HETATM 1361 C1X RCY A 138 83.641 2.913 -1.633 1.00 1.00 C HETATM 1362 C1Y RCY A 138 83.969 -0.122 -0.275 1.00 1.00 C HETATM 1363 C1Z RCY A 138 82.990 -0.525 -2.558 1.00 1.00 C HETATM 0 H1ZB RCY A 138 82.721 -0.048 -3.500 1.00 1.00 H new HETATM 0 H1ZA RCY A 138 83.682 -1.345 -2.751 1.00 1.00 H new HETATM 0 H1VB RCY A 138 85.060 4.031 -0.459 1.00 1.00 H new HETATM 0 H1MA RCY A 138 85.256 0.459 -3.113 1.00 1.00 H new HETATM 0 H1LA RCY A 138 81.652 1.929 -6.106 1.00 1.00 H new HETATM 0 H1CB RCY A 138 83.521 4.931 -2.379 1.00 1.00 H new HETATM 0 H1CA RCY A 138 82.247 3.846 -2.986 1.00 1.00 H new HETATM 0 H1U RCY A 138 85.463 3.046 -2.821 1.00 1.00 H new HETATM 0 H1S RCY A 138 84.366 3.142 -6.874 1.00 1.00 H new HETATM 0 H1M RCY A 138 85.747 1.097 -1.556 1.00 1.00 H new HETATM 0 H1L RCY A 138 81.988 3.565 -6.637 1.00 1.00 H new HETATM 0 H1C RCY A 138 82.173 4.459 -1.317 1.00 1.00 H new HETATM 1366 C1C RCY A 150 83.338 7.452 4.672 1.00 1.00 C HETATM 1367 O1G RCY A 150 80.532 6.862 0.433 1.00 1.00 O HETATM 1368 O1H RCY A 150 81.609 8.960 4.524 1.00 1.00 O HETATM 1369 O1J RCY A 150 81.157 6.990 6.696 1.00 1.00 O HETATM 1370 C1L RCY A 150 80.216 9.134 1.284 1.00 1.00 C HETATM 1371 C1M RCY A 150 80.859 5.000 3.432 1.00 1.00 C HETATM 1372 C1P RCY A 150 80.644 7.663 1.360 1.00 1.00 C HETATM 1373 C1Q RCY A 150 81.022 8.615 3.500 1.00 1.00 C HETATM 1374 N1R RCY A 150 81.227 7.317 2.729 1.00 1.00 N HETATM 1375 C1S RCY A 150 79.954 9.408 2.769 1.00 1.00 C HETATM 1376 C1U RCY A 150 81.856 6.008 3.212 1.00 1.00 C HETATM 1377 C1V RCY A 150 83.410 4.927 4.894 1.00 1.00 C HETATM 1378 N1V RCY A 150 81.331 6.193 5.485 1.00 1.00 N HETATM 1379 C1W RCY A 150 80.336 5.220 4.856 1.00 1.00 C HETATM 1380 C1X RCY A 150 82.546 6.147 4.568 1.00 1.00 C HETATM 1381 C1Y RCY A 150 80.315 3.900 5.632 1.00 1.00 C HETATM 1382 C1Z RCY A 150 78.948 5.861 4.845 1.00 1.00 C HETATM 0 H1ZB RCY A 150 78.997 6.826 4.341 1.00 1.00 H new HETATM 0 H1ZA RCY A 150 78.251 5.211 4.317 1.00 1.00 H new HETATM 0 H1YB RCY A 150 79.664 3.189 5.123 1.00 1.00 H new HETATM 0 H1YA RCY A 150 81.325 3.493 5.686 1.00 1.00 H new HETATM 0 H1VB RCY A 150 84.245 4.875 4.195 1.00 1.00 H new HETATM 0 H1VA RCY A 150 83.793 5.013 5.911 1.00 1.00 H new HETATM 0 H1MA RCY A 150 80.053 5.085 2.704 1.00 1.00 H new HETATM 0 H1LA RCY A 150 80.996 9.775 0.873 1.00 1.00 H new HETATM 0 H1CB RCY A 150 84.103 7.477 3.895 1.00 1.00 H new HETATM 0 H1Z RCY A 150 78.605 6.004 5.870 1.00 1.00 H new HETATM 0 H1Y RCY A 150 79.941 4.077 6.640 1.00 1.00 H new HETATM 0 H1V RCY A 150 82.809 4.022 4.808 1.00 1.00 H new HETATM 0 H1S RCY A 150 78.954 9.088 3.061 1.00 1.00 H new HETATM 0 H1M RCY A 150 81.284 4.002 3.323 1.00 1.00 H new HETATM 0 H1L RCY A 150 79.327 9.279 0.670 1.00 1.00 H new HETATM 1385 C1C RCY A 160 74.146 8.348 -0.763 1.00 1.00 C HETATM 1386 O1G RCY A 160 75.082 9.050 -3.161 1.00 1.00 O HETATM 1387 O1H RCY A 160 79.449 7.528 -2.204 1.00 1.00 O HETATM 1388 O1J RCY A 160 74.339 8.067 2.229 1.00 1.00 O HETATM 1389 C1L RCY A 160 77.156 8.986 -4.459 1.00 1.00 C HETATM 1390 C1M RCY A 160 77.657 7.897 0.313 1.00 1.00 C HETATM 1391 C1P RCY A 160 76.283 8.785 -3.214 1.00 1.00 C HETATM 1392 C1Q RCY A 160 78.502 8.195 -2.616 1.00 1.00 C HETATM 1393 N1R RCY A 160 77.088 8.216 -2.047 1.00 1.00 N HETATM 1394 C1S RCY A 160 78.526 9.153 -3.793 1.00 1.00 C HETATM 1395 C1U RCY A 160 76.611 7.778 -0.661 1.00 1.00 C HETATM 1396 C1V RCY A 160 75.843 10.150 -0.216 1.00 1.00 C HETATM 1397 N1V RCY A 160 75.491 8.224 1.346 1.00 1.00 N HETATM 1398 C1W RCY A 160 76.963 7.983 1.678 1.00 1.00 C HETATM 1399 C1X RCY A 160 75.494 8.664 -0.112 1.00 1.00 C HETATM 1400 C1Y RCY A 160 77.525 9.149 2.495 1.00 1.00 C HETATM 1401 C1Z RCY A 160 77.093 6.671 2.452 1.00 1.00 C HETATM 0 H1ZB RCY A 160 76.634 5.864 1.880 1.00 1.00 H new HETATM 0 H1ZA RCY A 160 78.147 6.447 2.613 1.00 1.00 H new HETATM 0 H1YB RCY A 160 78.594 9.002 2.651 1.00 1.00 H new HETATM 0 H1YA RCY A 160 77.362 10.083 1.957 1.00 1.00 H new HETATM 0 H1MA RCY A 160 78.328 7.039 0.271 1.00 1.00 H new HETATM 0 H1LA RCY A 160 77.122 8.132 -5.135 1.00 1.00 H new HETATM 0 H1Z RCY A 160 76.591 6.765 3.415 1.00 1.00 H new HETATM 0 H1Y RCY A 160 77.020 9.194 3.460 1.00 1.00 H new HETATM 0 H1U RCY A 160 76.276 6.751 -0.804 1.00 1.00 H new HETATM 0 H1S RCY A 160 78.684 10.180 -3.464 1.00 1.00 H new HETATM 0 H1M RCY A 160 78.262 8.784 0.128 1.00 1.00 H new HETATM 0 H1L RCY A 160 76.863 9.862 -5.037 1.00 1.00 H new HETATM 1404 C1C RCY A 168 74.960 0.368 4.063 1.00 1.00 C HETATM 1405 O1G RCY A 168 77.796 -1.214 3.091 1.00 1.00 O HETATM 1406 O1H RCY A 168 78.898 3.378 3.084 1.00 1.00 O HETATM 1407 O1J RCY A 168 72.772 0.715 2.023 1.00 1.00 O HETATM 1408 C1L RCY A 168 79.823 0.023 3.681 1.00 1.00 C HETATM 1409 C1M RCY A 168 76.302 1.676 0.873 1.00 1.00 C HETATM 1410 C1P RCY A 168 78.386 -0.138 3.169 1.00 1.00 C HETATM 1411 C1Q RCY A 168 78.955 2.156 2.956 1.00 1.00 C HETATM 1412 N1R RCY A 168 77.779 1.206 2.768 1.00 1.00 N HETATM 1413 C1S RCY A 168 80.217 1.313 2.955 1.00 1.00 C HETATM 1414 C1U RCY A 168 76.358 1.526 2.298 1.00 1.00 C HETATM 1415 C1V RCY A 168 75.898 -0.958 2.116 1.00 1.00 C HETATM 1416 N1V RCY A 168 74.196 0.837 1.725 1.00 1.00 N HETATM 1417 C1W RCY A 168 74.840 1.435 0.475 1.00 1.00 C HETATM 1418 C1X RCY A 168 75.369 0.398 2.589 1.00 1.00 C HETATM 1419 C1Y RCY A 168 74.756 0.449 -0.694 1.00 1.00 C HETATM 1420 C1Z RCY A 168 74.135 2.746 0.126 1.00 1.00 C HETATM 0 H1ZB RCY A 168 74.154 3.410 0.990 1.00 1.00 H new HETATM 0 H1ZA RCY A 168 74.647 3.223 -0.710 1.00 1.00 H new HETATM 0 H1YB RCY A 168 75.293 0.855 -1.551 1.00 1.00 H new HETATM 0 H1YA RCY A 168 75.204 -0.501 -0.402 1.00 1.00 H new HETATM 0 H1VB RCY A 168 76.771 -1.234 2.707 1.00 1.00 H new HETATM 0 H1VA RCY A 168 75.123 -1.714 2.240 1.00 1.00 H new HETATM 0 H1MA RCY A 168 76.628 2.672 0.573 1.00 1.00 H new HETATM 0 H1LA RCY A 168 79.871 0.123 4.765 1.00 1.00 H new HETATM 0 H1CB RCY A 168 75.844 0.217 4.683 1.00 1.00 H new HETATM 0 H1CA RCY A 168 74.488 1.314 4.329 1.00 1.00 H new HETATM 0 H1Z RCY A 168 73.101 2.540 -0.152 1.00 1.00 H new HETATM 0 H1Y RCY A 168 73.711 0.291 -0.962 1.00 1.00 H new HETATM 0 H1V RCY A 168 76.177 -0.893 1.064 1.00 1.00 H new HETATM 0 H1U RCY A 168 76.096 2.438 2.835 1.00 1.00 H new HETATM 0 H1S RCY A 168 80.556 1.108 1.939 1.00 1.00 H new HETATM 0 H1M RCY A 168 76.962 0.963 0.380 1.00 1.00 H new HETATM 0 H1L RCY A 168 80.459 -0.819 3.410 1.00 1.00 H new HETATM 0 H1C RCY A 168 74.256 -0.448 4.229 1.00 1.00 H new HETATM 1423 C1C RCY A 173 76.149 4.811 6.683 1.00 1.00 C HETATM 1424 O1G RCY A 173 75.040 5.642 8.857 1.00 1.00 O HETATM 1425 O1H RCY A 173 76.678 1.455 10.299 1.00 1.00 O HETATM 1426 O1J RCY A 173 78.685 3.194 6.543 1.00 1.00 O HETATM 1427 C1L RCY A 173 76.087 4.878 10.932 1.00 1.00 C HETATM 1428 C1M RCY A 173 75.538 1.282 7.613 1.00 1.00 C HETATM 1429 C1P RCY A 173 75.508 4.719 9.520 1.00 1.00 C HETATM 1430 C1Q RCY A 173 76.131 2.556 10.272 1.00 1.00 C HETATM 1431 N1R RCY A 173 75.586 3.270 9.041 1.00 1.00 N HETATM 1432 C1S RCY A 173 75.872 3.458 11.465 1.00 1.00 C HETATM 1433 C1U RCY A 173 75.216 2.679 7.680 1.00 1.00 C HETATM 1434 C1V RCY A 173 75.429 2.911 5.167 1.00 1.00 C HETATM 1435 N1V RCY A 173 77.358 2.618 6.737 1.00 1.00 N HETATM 1436 C1W RCY A 173 77.011 1.202 7.195 1.00 1.00 C HETATM 1437 C1X RCY A 173 76.010 3.295 6.529 1.00 1.00 C HETATM 1438 C1Y RCY A 173 77.192 0.209 6.044 1.00 1.00 C HETATM 1439 C1Z RCY A 173 77.904 0.826 8.377 1.00 1.00 C HETATM 0 H1ZB RCY A 173 77.806 1.578 9.160 1.00 1.00 H new HETATM 0 H1ZA RCY A 173 77.601 -0.146 8.767 1.00 1.00 H new HETATM 0 H1YB RCY A 173 76.861 -0.780 6.361 1.00 1.00 H new HETATM 0 H1YA RCY A 173 76.600 0.532 5.188 1.00 1.00 H new HETATM 0 H1VB RCY A 173 74.441 3.357 5.054 1.00 1.00 H new HETATM 0 H1VA RCY A 173 76.084 3.275 4.376 1.00 1.00 H new HETATM 0 H1MA RCY A 173 75.380 0.800 8.578 1.00 1.00 H new HETATM 0 H1LA RCY A 173 77.138 5.165 10.922 1.00 1.00 H new HETATM 0 H1CB RCY A 173 75.159 5.267 6.699 1.00 1.00 H new HETATM 0 H1CA RCY A 173 76.667 5.036 7.615 1.00 1.00 H new HETATM 0 H1Z RCY A 173 78.942 0.777 8.048 1.00 1.00 H new HETATM 0 H1Y RCY A 173 78.244 0.167 5.762 1.00 1.00 H new HETATM 0 H1V RCY A 173 75.347 1.826 5.099 1.00 1.00 H new HETATM 0 H1U RCY A 173 74.149 2.878 7.583 1.00 1.00 H new HETATM 0 H1S RCY A 173 74.860 3.328 11.848 1.00 1.00 H new HETATM 0 H1M RCY A 173 74.901 0.770 6.892 1.00 1.00 H new HETATM 0 H1L RCY A 173 75.557 5.629 11.518 1.00 1.00 H new HETATM 0 H1C RCY A 173 76.720 5.211 5.845 1.00 1.00 H new HETATM 1442 C1C RCY A 176 74.859 -3.307 3.606 1.00 1.00 C HETATM 1443 O1G RCY A 176 75.839 -4.484 8.410 1.00 1.00 O HETATM 1444 O1H RCY A 176 75.969 -3.664 7.721 1.00 1.00 O HETATM 1445 O1J RCY A 176 76.557 -4.098 1.247 1.00 1.00 O HETATM 1446 C1L RCY A 176 75.966 -4.801 6.206 1.00 1.00 C HETATM 1447 C1M RCY A 176 76.882 -6.311 4.362 1.00 1.00 C HETATM 1448 C1P RCY A 176 75.285 -5.130 7.521 1.00 1.00 C HETATM 1449 C1Q RCY A 176 75.916 -4.807 7.316 1.00 1.00 C HETATM 1450 N1R RCY A 176 75.327 -5.385 6.011 1.00 1.00 N HETATM 1451 C1S RCY A 176 74.757 -5.594 6.776 1.00 1.00 C HETATM 1452 C1U RCY A 176 76.180 -5.127 4.768 1.00 1.00 C HETATM 1453 C1V RCY A 176 74.192 -5.736 3.322 1.00 1.00 C HETATM 1454 N1V RCY A 176 76.390 -4.914 2.446 1.00 1.00 N HETATM 1455 C1W RCY A 176 77.225 -6.118 2.879 1.00 1.00 C HETATM 1456 C1X RCY A 176 75.346 -4.756 3.543 1.00 1.00 C HETATM 1457 C1Y RCY A 176 76.835 -7.359 2.071 1.00 1.00 C HETATM 1458 C1Z RCY A 176 78.706 -5.794 2.689 1.00 1.00 C HETATM 0 H1ZB RCY A 176 78.949 -4.875 3.223 1.00 1.00 H new HETATM 0 H1ZA RCY A 176 79.311 -6.612 3.081 1.00 1.00 H new HETATM 0 H1YB RCY A 176 77.378 -8.225 2.449 1.00 1.00 H new HETATM 0 H1YA RCY A 176 75.763 -7.533 2.166 1.00 1.00 H new HETATM 0 H1VB RCY A 176 73.480 -5.651 4.143 1.00 1.00 H new HETATM 0 H1VA RCY A 176 73.692 -5.503 2.382 1.00 1.00 H new HETATM 0 H1MA RCY A 176 77.786 -6.451 4.956 1.00 1.00 H new HETATM 0 H1CB RCY A 176 74.243 -3.169 4.494 1.00 1.00 H new HETATM 0 H1CA RCY A 176 75.717 -2.636 3.652 1.00 1.00 H new HETATM 0 H1Z RCY A 176 78.917 -5.663 1.628 1.00 1.00 H new HETATM 0 H1Y RCY A 176 77.086 -7.204 1.022 1.00 1.00 H new HETATM 0 H1V RCY A 176 74.581 -6.753 3.283 1.00 1.00 H new HETATM 0 H1M RCY A 176 76.265 -7.198 4.507 1.00 1.00 H new HETATM 0 H1C RCY A 176 74.270 -3.082 2.717 1.00 1.00 H new HETATM 1461 C1C RCY A 187 79.754 -0.028 -2.275 1.00 1.00 C HETATM 1462 O1G RCY A 187 83.056 -1.034 -1.328 1.00 1.00 O HETATM 1463 O1H RCY A 187 80.110 -4.675 -0.727 1.00 1.00 O HETATM 1464 O1J RCY A 187 78.428 1.815 -0.297 1.00 1.00 O HETATM 1465 C1L RCY A 187 83.265 -3.440 -1.723 1.00 1.00 C HETATM 1466 C1M RCY A 187 80.183 -1.253 1.191 1.00 1.00 C HETATM 1467 C1P RCY A 187 82.561 -2.157 -1.260 1.00 1.00 C HETATM 1468 C1Q RCY A 187 81.119 -3.972 -0.751 1.00 1.00 C HETATM 1469 N1R RCY A 187 81.168 -2.450 -0.705 1.00 1.00 N HETATM 1470 C1S RCY A 187 82.552 -4.465 -0.834 1.00 1.00 C HETATM 1471 C1U RCY A 187 80.092 -1.474 -0.224 1.00 1.00 C HETATM 1472 C1V RCY A 187 81.676 0.446 -0.690 1.00 1.00 C HETATM 1473 N1V RCY A 187 79.306 0.710 0.076 1.00 1.00 N HETATM 1474 C1W RCY A 187 79.487 0.088 1.459 1.00 1.00 C HETATM 1475 C1X RCY A 187 80.245 -0.079 -0.826 1.00 1.00 C HETATM 1476 C1Y RCY A 187 80.364 0.983 2.339 1.00 1.00 C HETATM 1477 C1Z RCY A 187 78.114 -0.118 2.100 1.00 1.00 C HETATM 0 H1ZB RCY A 187 77.486 -0.708 1.432 1.00 1.00 H new HETATM 0 H1YA RCY A 187 81.312 1.172 1.835 1.00 1.00 H new HETATM 0 H1VB RCY A 187 82.346 -0.161 -1.299 1.00 1.00 H new HETATM 0 H1MA RCY A 187 79.700 -2.060 1.743 1.00 1.00 H new HETATM 0 H1LA RCY A 187 83.120 -3.636 -2.785 1.00 1.00 H new HETATM 0 H1CB RCY A 187 80.332 -0.727 -2.880 1.00 1.00 H new HETATM 0 H1CA RCY A 187 78.700 -0.302 -2.312 1.00 1.00 H new HETATM 0 H1Y RCY A 187 79.854 1.929 2.518 1.00 1.00 H new HETATM 0 H1U RCY A 187 79.153 -1.939 -0.525 1.00 1.00 H new HETATM 0 H1S RCY A 187 83.010 -4.519 0.154 1.00 1.00 H new HETATM 0 H1M RCY A 187 81.223 -1.223 1.515 1.00 1.00 H new HETATM 0 H1L RCY A 187 84.341 -3.412 -1.548 1.00 1.00 H new HETATM 0 H1C RCY A 187 79.880 0.981 -2.667 1.00 1.00 H new