USER MOD reduce.3.24.130724 H: found=0, std=0, add=789, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 659 hydrogens (20 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 10 CYS H : A 10 CYS N : A 110 RCY O1H :(H bumps) USER MOD NoAdj-H: A 58 GLU H : A 58 GLU N : A 160 RCY C1Q :(H bumps) USER MOD NoAdj-H: A 59 GLY H : A 59 GLY N : A 160 RCY N1R :(H bumps) USER MOD NoAdj-H: A 60 CYS H : A 60 CYS N : A 160 RCY C1L :(H bumps) USER MOD NoAdj-H: A 110 RCYH1ZB : A 110 RCY C1Z : A 9 GLU CD :(H bumps) USER MOD NoAdj-H: A 110 RCYH1ZA : A 110 RCY C1Z : A 9 GLU CD :(H bumps) USER MOD NoAdj-H: A 110 RCYH1SA : A 110 RCY C1S : A 10 CYS SG :(H bumps) USER MOD NoAdj-H: A 110 RCYH1MA : A 110 RCY C1M : A 9 GLU CB :(H bumps) USER MOD NoAdj-H: A 110 RCYH1CA : A 110 RCY C1C : A 12 SER N :(H bumps) USER MOD NoAdj-H: A 110 RCY H1U : A 110 RCY C1U : A 9 GLU CB :(H bumps) USER MOD NoAdj-H: A 110 RCY H1M : A 110 RCY C1M : A 9 GLU CB :(H bumps) USER MOD NoAdj-H: A 110 RCY H1C : A 110 RCY C1C : A 12 SER N :(H bumps) USER MOD NoAdj-H: A 121 RCYH1SA : A 121 RCY C1S : A 21 CYS SG :(H bumps) USER MOD NoAdj-H: A 130 RCYH1LA : A 130 RCY C1L : A 130 RCY N1R :(H bumps) USER MOD NoAdj-H: A 130 RCY H1L : A 130 RCY C1L : A 130 RCY N1R :(H bumps) USER MOD NoAdj-H: A 138 RCYH1YB : A 138 RCY C1Y : A 150 RCY C1M :(H bumps) USER MOD NoAdj-H: A 138 RCYH1YA : A 138 RCY C1Y : A 150 RCY C1M :(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 H1Y : A 138 RCY C1Y : A 150 RCY C1X :(H bumps) USER MOD NoAdj-H: A 150 RCYH1SA : A 150 RCY C1S : A 50 CYS SG :(H bumps) USER MOD NoAdj-H: A 150 RCY H1V : A 150 RCY C1V : A 138 RCY C1Y :(H bumps) USER MOD NoAdj-H: A 150 RCY H1M : A 150 RCY C1M : A 138 RCY C1Y :(H bumps) USER MOD NoAdj-H: A 160 RCYH1VB : A 160 RCY C1V : A 58 GLU N :(H bumps) USER MOD NoAdj-H: A 160 RCYH1VA : A 160 RCY C1V : A 57 MET O :(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 RCYH1LA : A 160 RCY C1L : A 60 CYS N :(H bumps) USER MOD NoAdj-H: A 160 RCYH1CA : A 160 RCY C1C : A 56 GLY C :(H bumps) USER MOD NoAdj-H: A 160 RCY H1V : A 160 RCY C1V : A 57 MET O :(H bumps) USER MOD NoAdj-H: A 160 RCY H1M : A 160 RCY C1M : A 58 GLU CB :(H bumps) USER MOD NoAdj-H: A 160 RCY H1L : A 160 RCY C1L : A 60 CYS N :(H bumps) USER MOD NoAdj-H: A 160 RCY H1C : A 160 RCY C1C : A 57 MET N :(H bumps) USER MOD NoAdj-H: A 168 RCYH1SA : A 168 RCY C1S : A 68 CYS SG :(H bumps) USER MOD NoAdj-H: A 168 RCYH1CA : A 168 RCY C1C : A 71 GLU OE2 :(H bumps) USER MOD NoAdj-H: A 173 RCYH1SA : A 173 RCY C1S : A 73 CYS SG :(H bumps) USER MOD NoAdj-H: A 173 RCYH1LA : A 173 RCY C1L : A 176 RCY C1Z :(H bumps) USER MOD NoAdj-H: A 173 RCY H1S : A 173 RCY C1S : A 176 RCY C1Y :(H bumps) USER MOD NoAdj-H: A 173 RCY H1L : A 173 RCY C1L : A 176 RCY C1W :(H bumps) USER MOD NoAdj-H: A 176 RCYH1ZA : A 176 RCY C1Z : A 173 RCY C1L :(H bumps) USER MOD NoAdj-H: A 176 RCYH1YB : A 176 RCY C1Y : A 173 RCY C1L :(H bumps) USER MOD NoAdj-H: A 176 RCYH1SA : A 176 RCY C1S : A 76 CYS SG :(H bumps) USER MOD NoAdj-H: A 176 RCY H1Y : A 176 RCY C1Y : A 173 RCY C1P :(H bumps) USER MOD NoAdj-H: A 187 RCYH1SA : A 187 RCY C1S : A 87 CYS SG :(H bumps) USER MOD Set 1.1: A 62 THR OG1 : rot 133:sc= 0.841 USER MOD Set 1.2: A 65 THR OG1 : rot 180:sc= 0.624 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -156:sc= -0.129 (180deg=-0.965) USER MOD Single : A 2 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot -26:sc= 0.0534 USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 GLN : amide:sc= 0 K(o=0,f=-1.1!) USER MOD Single : A 34 GLN : amide:sc= -4.69! C(o=-4.7!,f=-11!) USER MOD Single : A 35 THR OG1 : rot -45:sc= -0.0197! USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= -0.0295 USER MOD Single : A 41 LYS NZ :NH3+ 159:sc= -0.0437 (180deg=-0.609) USER MOD Single : A 44 LYS NZ :NH3+ 154:sc= -0.324 (180deg=-1.53!) USER MOD Single : A 45 LYS NZ :NH3+ 160:sc= -0.125 (180deg=-1.03) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 MET CE :methyl -105:sc= -0.0485 (180deg=-0.144) USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=-0.0046) USER MOD Single : A 75 HIS : no HD1:sc= -2.29! C(o=-2.3!,f=-7.5!) USER MOD Single : A 79 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 83 GLN : amide:sc= -7.76! C(o=-7.8!,f=-16!) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 60.072 0.855 11.673 1.00 1.00 N ATOM 2 CA MET A 1 59.260 1.153 12.886 1.00 1.00 C ATOM 3 C MET A 1 57.958 0.350 12.839 1.00 1.00 C ATOM 4 O MET A 1 57.807 -0.558 12.046 1.00 1.00 O ATOM 5 CB MET A 1 58.936 2.648 12.928 1.00 1.00 C ATOM 6 CG MET A 1 60.199 3.454 12.619 1.00 1.00 C ATOM 7 SD MET A 1 59.831 5.222 12.735 1.00 1.00 S ATOM 8 CE MET A 1 60.991 5.779 11.463 1.00 1.00 C ATOM 0 H1 MET A 1 61.075 1.047 11.871 1.00 1.00 H new ATOM 0 H2 MET A 1 59.956 -0.146 11.415 1.00 1.00 H new ATOM 0 H3 MET A 1 59.753 1.455 10.886 1.00 1.00 H new ATOM 0 HA MET A 1 59.824 0.878 13.777 1.00 1.00 H new ATOM 0 HB2 MET A 1 58.156 2.882 12.203 1.00 1.00 H new ATOM 0 HB3 MET A 1 58.550 2.920 13.911 1.00 1.00 H new ATOM 0 HG2 MET A 1 60.992 3.190 13.319 1.00 1.00 H new ATOM 0 HG3 MET A 1 60.562 3.212 11.620 1.00 1.00 H new ATOM 0 HE1 MET A 1 60.930 6.863 11.365 1.00 1.00 H new ATOM 0 HE2 MET A 1 62.005 5.496 11.746 1.00 1.00 H new ATOM 0 HE3 MET A 1 60.737 5.314 10.510 1.00 1.00 H new ATOM 17 N ASN A 2 57.018 0.675 13.684 1.00 1.00 N ATOM 18 CA ASN A 2 55.727 -0.071 13.688 1.00 1.00 C ATOM 19 C ASN A 2 54.779 0.539 12.653 1.00 1.00 C ATOM 20 O ASN A 2 53.745 1.082 12.988 1.00 1.00 O ATOM 21 CB ASN A 2 55.091 0.020 15.077 1.00 1.00 C ATOM 22 CG ASN A 2 56.112 -0.403 16.135 1.00 1.00 C ATOM 23 OD1 ASN A 2 56.573 -1.527 16.136 1.00 1.00 O ATOM 24 ND2 ASN A 2 56.486 0.456 17.044 1.00 1.00 N ATOM 0 H ASN A 2 57.088 1.425 14.372 1.00 1.00 H new ATOM 0 HA ASN A 2 55.911 -1.116 13.439 1.00 1.00 H new ATOM 0 HB2 ASN A 2 54.754 1.039 15.268 1.00 1.00 H new ATOM 0 HB3 ASN A 2 54.211 -0.621 15.128 1.00 1.00 H new ATOM 0 HD21 ASN A 2 57.165 0.183 17.755 1.00 1.00 H new ATOM 0 HD22 ASN A 2 56.099 1.400 17.044 1.00 1.00 H new ATOM 31 N LEU A 3 55.122 0.452 11.397 1.00 1.00 N ATOM 32 CA LEU A 3 54.239 1.025 10.341 1.00 1.00 C ATOM 33 C LEU A 3 53.098 0.048 10.049 1.00 1.00 C ATOM 34 O LEU A 3 52.736 -0.762 10.879 1.00 1.00 O ATOM 35 CB LEU A 3 55.052 1.257 9.064 1.00 1.00 C ATOM 36 CG LEU A 3 56.281 2.108 9.387 1.00 1.00 C ATOM 37 CD1 LEU A 3 57.232 2.108 8.188 1.00 1.00 C ATOM 38 CD2 LEU A 3 55.842 3.543 9.688 1.00 1.00 C ATOM 0 H LEU A 3 55.975 0.009 11.056 1.00 1.00 H new ATOM 0 HA LEU A 3 53.828 1.974 10.686 1.00 1.00 H new ATOM 0 HB2 LEU A 3 55.360 0.302 8.638 1.00 1.00 H new ATOM 0 HB3 LEU A 3 54.438 1.757 8.315 1.00 1.00 H new ATOM 0 HG LEU A 3 56.792 1.693 10.256 1.00 1.00 H new ATOM 0 HD11 LEU A 3 58.108 2.715 8.418 1.00 1.00 H new ATOM 0 HD12 LEU A 3 57.545 1.086 7.972 1.00 1.00 H new ATOM 0 HD13 LEU A 3 56.722 2.523 7.319 1.00 1.00 H new ATOM 0 HD21 LEU A 3 56.717 4.150 9.918 1.00 1.00 H new ATOM 0 HD22 LEU A 3 55.331 3.957 8.819 1.00 1.00 H new ATOM 0 HD23 LEU A 3 55.164 3.545 10.542 1.00 1.00 H new ATOM 50 N GLU A 4 52.527 0.115 8.877 1.00 1.00 N ATOM 51 CA GLU A 4 51.411 -0.814 8.541 1.00 1.00 C ATOM 52 C GLU A 4 51.843 -2.252 8.865 1.00 1.00 C ATOM 53 O GLU A 4 52.961 -2.638 8.592 1.00 1.00 O ATOM 54 CB GLU A 4 51.084 -0.694 7.043 1.00 1.00 C ATOM 55 CG GLU A 4 49.744 0.023 6.868 1.00 1.00 C ATOM 56 CD GLU A 4 49.805 1.393 7.547 1.00 1.00 C ATOM 57 OE1 GLU A 4 50.904 1.872 7.772 1.00 1.00 O ATOM 58 OE2 GLU A 4 48.752 1.939 7.831 1.00 1.00 O ATOM 0 H GLU A 4 52.784 0.771 8.140 1.00 1.00 H new ATOM 0 HA GLU A 4 50.525 -0.560 9.123 1.00 1.00 H new ATOM 0 HB2 GLU A 4 51.873 -0.143 6.531 1.00 1.00 H new ATOM 0 HB3 GLU A 4 51.041 -1.684 6.589 1.00 1.00 H new ATOM 0 HG2 GLU A 4 49.518 0.140 5.808 1.00 1.00 H new ATOM 0 HG3 GLU A 4 48.941 -0.574 7.301 1.00 1.00 H new ATOM 65 N PRO A 5 50.966 -3.041 9.440 1.00 1.00 N ATOM 66 CA PRO A 5 51.271 -4.453 9.803 1.00 1.00 C ATOM 67 C PRO A 5 52.164 -5.146 8.764 1.00 1.00 C ATOM 68 O PRO A 5 51.692 -5.601 7.741 1.00 1.00 O ATOM 69 CB PRO A 5 49.888 -5.101 9.841 1.00 1.00 C ATOM 70 CG PRO A 5 48.962 -4.006 10.264 1.00 1.00 C ATOM 71 CD PRO A 5 49.586 -2.682 9.804 1.00 1.00 C ATOM 0 HA PRO A 5 51.824 -4.529 10.740 1.00 1.00 H new ATOM 0 HB2 PRO A 5 49.611 -5.498 8.864 1.00 1.00 H new ATOM 0 HB3 PRO A 5 49.861 -5.934 10.543 1.00 1.00 H new ATOM 0 HG2 PRO A 5 47.976 -4.142 9.819 1.00 1.00 H new ATOM 0 HG3 PRO A 5 48.827 -4.013 11.346 1.00 1.00 H new ATOM 0 HD2 PRO A 5 49.047 -2.261 8.955 1.00 1.00 H new ATOM 0 HD3 PRO A 5 49.565 -1.935 10.597 1.00 1.00 H new ATOM 79 N PRO A 6 53.446 -5.226 9.023 1.00 1.00 N ATOM 80 CA PRO A 6 54.415 -5.871 8.099 1.00 1.00 C ATOM 81 C PRO A 6 54.531 -7.380 8.342 1.00 1.00 C ATOM 82 O PRO A 6 54.531 -7.838 9.467 1.00 1.00 O ATOM 83 CB PRO A 6 55.727 -5.168 8.442 1.00 1.00 C ATOM 84 CG PRO A 6 55.616 -4.831 9.895 1.00 1.00 C ATOM 85 CD PRO A 6 54.122 -4.705 10.222 1.00 1.00 C ATOM 0 HA PRO A 6 54.121 -5.777 7.054 1.00 1.00 H new ATOM 0 HB2 PRO A 6 56.583 -5.815 8.251 1.00 1.00 H new ATOM 0 HB3 PRO A 6 55.864 -4.271 7.838 1.00 1.00 H new ATOM 0 HG2 PRO A 6 56.079 -5.606 10.506 1.00 1.00 H new ATOM 0 HG3 PRO A 6 56.137 -3.899 10.114 1.00 1.00 H new ATOM 0 HD2 PRO A 6 53.858 -5.280 11.110 1.00 1.00 H new ATOM 0 HD3 PRO A 6 53.843 -3.670 10.419 1.00 1.00 H new ATOM 93 N LYS A 7 54.632 -8.154 7.296 1.00 1.00 N ATOM 94 CA LYS A 7 54.751 -9.629 7.474 1.00 1.00 C ATOM 95 C LYS A 7 56.111 -9.955 8.096 1.00 1.00 C ATOM 96 O LYS A 7 56.386 -9.602 9.225 1.00 1.00 O ATOM 97 CB LYS A 7 54.626 -10.319 6.112 1.00 1.00 C ATOM 98 CG LYS A 7 53.157 -10.346 5.686 1.00 1.00 C ATOM 99 CD LYS A 7 53.066 -10.605 4.180 1.00 1.00 C ATOM 100 CE LYS A 7 51.603 -10.811 3.785 1.00 1.00 C ATOM 101 NZ LYS A 7 51.438 -10.530 2.331 1.00 1.00 N ATOM 0 H LYS A 7 54.637 -7.830 6.329 1.00 1.00 H new ATOM 0 HA LYS A 7 53.958 -9.985 8.131 1.00 1.00 H new ATOM 0 HB2 LYS A 7 55.222 -9.790 5.368 1.00 1.00 H new ATOM 0 HB3 LYS A 7 55.018 -11.335 6.170 1.00 1.00 H new ATOM 0 HG2 LYS A 7 52.623 -11.124 6.232 1.00 1.00 H new ATOM 0 HG3 LYS A 7 52.679 -9.398 5.932 1.00 1.00 H new ATOM 0 HD2 LYS A 7 53.487 -9.764 3.630 1.00 1.00 H new ATOM 0 HD3 LYS A 7 53.652 -11.485 3.916 1.00 1.00 H new ATOM 0 HE2 LYS A 7 51.296 -11.833 4.006 1.00 1.00 H new ATOM 0 HE3 LYS A 7 50.961 -10.152 4.369 1.00 1.00 H new ATOM 0 HZ1 LYS A 7 50.443 -10.670 2.061 1.00 1.00 H new ATOM 0 HZ2 LYS A 7 51.716 -9.547 2.134 1.00 1.00 H new ATOM 0 HZ3 LYS A 7 52.040 -11.177 1.782 1.00 1.00 H new ATOM 115 N ALA A 8 56.966 -10.624 7.370 1.00 1.00 N ATOM 116 CA ALA A 8 58.307 -10.968 7.924 1.00 1.00 C ATOM 117 C ALA A 8 59.047 -11.879 6.940 1.00 1.00 C ATOM 118 O ALA A 8 59.193 -13.064 7.168 1.00 1.00 O ATOM 119 CB ALA A 8 58.136 -11.690 9.265 1.00 1.00 C ATOM 0 H ALA A 8 56.794 -10.947 6.418 1.00 1.00 H new ATOM 0 HA ALA A 8 58.884 -10.056 8.076 1.00 1.00 H new ATOM 0 HB1 ALA A 8 59.116 -11.942 9.670 1.00 1.00 H new ATOM 0 HB2 ALA A 8 57.610 -11.039 9.964 1.00 1.00 H new ATOM 0 HB3 ALA A 8 57.560 -12.603 9.116 1.00 1.00 H new ATOM 125 N GLU A 9 59.515 -11.335 5.849 1.00 1.00 N ATOM 126 CA GLU A 9 60.246 -12.168 4.850 1.00 1.00 C ATOM 127 C GLU A 9 61.753 -12.038 5.080 1.00 1.00 C ATOM 128 O GLU A 9 62.201 -11.737 6.169 1.00 1.00 O ATOM 129 CB GLU A 9 59.903 -11.687 3.438 1.00 1.00 C ATOM 130 CG GLU A 9 58.386 -11.715 3.243 1.00 1.00 C ATOM 131 CD GLU A 9 57.880 -13.152 3.377 1.00 1.00 C ATOM 132 OE1 GLU A 9 58.661 -14.059 3.138 1.00 1.00 O ATOM 133 OE2 GLU A 9 56.720 -13.322 3.715 1.00 1.00 O ATOM 0 H GLU A 9 59.423 -10.349 5.606 1.00 1.00 H new ATOM 0 HA GLU A 9 59.951 -13.211 4.962 1.00 1.00 H new ATOM 0 HB2 GLU A 9 60.281 -10.676 3.285 1.00 1.00 H new ATOM 0 HB3 GLU A 9 60.387 -12.324 2.698 1.00 1.00 H new ATOM 0 HG2 GLU A 9 57.902 -11.077 3.983 1.00 1.00 H new ATOM 0 HG3 GLU A 9 58.128 -11.317 2.262 1.00 1.00 H new ATOM 140 N CYS A 10 62.539 -12.262 4.063 1.00 1.00 N ATOM 141 CA CYS A 10 64.017 -12.151 4.223 1.00 1.00 C ATOM 142 C CYS A 10 64.686 -12.216 2.849 1.00 1.00 C ATOM 143 O CYS A 10 65.893 -12.142 2.731 1.00 1.00 O ATOM 144 CB CYS A 10 64.523 -13.304 5.092 1.00 1.00 C ATOM 145 SG CYS A 10 64.292 -14.869 4.212 1.00 1.00 S ATOM 0 HA CYS A 10 64.261 -11.202 4.700 1.00 1.00 H new ATOM 0 HB2 CYS A 10 65.577 -13.160 5.329 1.00 1.00 H new ATOM 0 HB3 CYS A 10 63.984 -13.324 6.039 1.00 1.00 H new ATOM 150 N ARG A 11 63.910 -12.356 1.807 1.00 1.00 N ATOM 151 CA ARG A 11 64.499 -12.428 0.438 1.00 1.00 C ATOM 152 C ARG A 11 63.511 -11.831 -0.568 1.00 1.00 C ATOM 153 O ARG A 11 63.712 -10.749 -1.083 1.00 1.00 O ATOM 154 CB ARG A 11 64.777 -13.896 0.081 1.00 1.00 C ATOM 155 CG ARG A 11 66.264 -14.197 0.275 1.00 1.00 C ATOM 156 CD ARG A 11 66.470 -15.710 0.376 1.00 1.00 C ATOM 157 NE ARG A 11 65.402 -16.409 -0.392 1.00 1.00 N ATOM 158 CZ ARG A 11 65.419 -16.393 -1.697 1.00 1.00 C ATOM 159 NH1 ARG A 11 66.372 -15.765 -2.329 1.00 1.00 N ATOM 160 NH2 ARG A 11 64.483 -17.005 -2.369 1.00 1.00 N ATOM 0 H ARG A 11 62.893 -12.424 1.845 1.00 1.00 H new ATOM 0 HA ARG A 11 65.432 -11.866 0.407 1.00 1.00 H new ATOM 0 HB2 ARG A 11 64.177 -14.554 0.710 1.00 1.00 H new ATOM 0 HB3 ARG A 11 64.488 -14.091 -0.952 1.00 1.00 H new ATOM 0 HG2 ARG A 11 66.839 -13.796 -0.560 1.00 1.00 H new ATOM 0 HG3 ARG A 11 66.630 -13.708 1.178 1.00 1.00 H new ATOM 0 HD2 ARG A 11 67.451 -15.981 -0.015 1.00 1.00 H new ATOM 0 HD3 ARG A 11 66.446 -16.022 1.420 1.00 1.00 H new ATOM 0 HE ARG A 11 64.657 -16.900 0.102 1.00 1.00 H new ATOM 0 HH11 ARG A 11 67.104 -15.287 -1.803 1.00 1.00 H new ATOM 0 HH12 ARG A 11 66.386 -15.752 -3.349 1.00 1.00 H new ATOM 0 HH21 ARG A 11 63.738 -17.496 -1.875 1.00 1.00 H new ATOM 0 HH22 ARG A 11 64.496 -16.993 -3.389 1.00 1.00 H new ATOM 174 N SER A 12 62.447 -12.530 -0.853 1.00 1.00 N ATOM 175 CA SER A 12 61.447 -12.007 -1.826 1.00 1.00 C ATOM 176 C SER A 12 62.126 -11.770 -3.177 1.00 1.00 C ATOM 177 O SER A 12 62.783 -10.770 -3.386 1.00 1.00 O ATOM 178 CB SER A 12 60.866 -10.691 -1.306 1.00 1.00 C ATOM 179 OG SER A 12 60.623 -10.804 0.089 1.00 1.00 O ATOM 0 H SER A 12 62.227 -13.442 -0.453 1.00 1.00 H new ATOM 0 HA SER A 12 60.643 -12.733 -1.947 1.00 1.00 H new ATOM 0 HB2 SER A 12 61.559 -9.872 -1.501 1.00 1.00 H new ATOM 0 HB3 SER A 12 59.940 -10.457 -1.830 1.00 1.00 H new ATOM 185 N ALA A 13 61.970 -12.684 -4.095 1.00 1.00 N ATOM 186 CA ALA A 13 62.605 -12.515 -5.433 1.00 1.00 C ATOM 187 C ALA A 13 62.203 -13.682 -6.337 1.00 1.00 C ATOM 188 O ALA A 13 61.811 -14.734 -5.872 1.00 1.00 O ATOM 189 CB ALA A 13 64.127 -12.489 -5.277 1.00 1.00 C ATOM 0 H ALA A 13 61.430 -13.541 -3.976 1.00 1.00 H new ATOM 0 HA ALA A 13 62.271 -11.578 -5.879 1.00 1.00 H new ATOM 0 HB1 ALA A 13 64.591 -12.365 -6.256 1.00 1.00 H new ATOM 0 HB2 ALA A 13 64.413 -11.658 -4.632 1.00 1.00 H new ATOM 0 HB3 ALA A 13 64.463 -13.425 -4.832 1.00 1.00 H new ATOM 195 N THR A 14 62.298 -13.505 -7.627 1.00 1.00 N ATOM 196 CA THR A 14 61.921 -14.602 -8.562 1.00 1.00 C ATOM 197 C THR A 14 62.419 -14.259 -9.966 1.00 1.00 C ATOM 198 O THR A 14 61.930 -13.345 -10.601 1.00 1.00 O ATOM 199 CB THR A 14 60.398 -14.755 -8.585 1.00 1.00 C ATOM 200 OG1 THR A 14 59.917 -14.885 -7.255 1.00 1.00 O ATOM 201 CG2 THR A 14 60.020 -15.999 -9.391 1.00 1.00 C ATOM 0 H THR A 14 62.621 -12.647 -8.074 1.00 1.00 H new ATOM 0 HA THR A 14 62.373 -15.537 -8.230 1.00 1.00 H new ATOM 0 HB THR A 14 59.951 -13.876 -9.049 1.00 1.00 H new ATOM 0 HG1 THR A 14 60.624 -15.256 -6.686 1.00 1.00 H new ATOM 0 HG21 THR A 14 58.935 -16.107 -9.407 1.00 1.00 H new ATOM 0 HG22 THR A 14 60.389 -15.897 -10.412 1.00 1.00 H new ATOM 0 HG23 THR A 14 60.466 -16.880 -8.930 1.00 1.00 H new ATOM 209 N ARG A 15 63.389 -14.980 -10.457 1.00 1.00 N ATOM 210 CA ARG A 15 63.914 -14.685 -11.819 1.00 1.00 C ATOM 211 C ARG A 15 64.251 -13.196 -11.916 1.00 1.00 C ATOM 212 O ARG A 15 63.863 -12.526 -12.852 1.00 1.00 O ATOM 213 CB ARG A 15 62.851 -15.034 -12.864 1.00 1.00 C ATOM 214 CG ARG A 15 62.475 -16.512 -12.739 1.00 1.00 C ATOM 215 CD ARG A 15 61.139 -16.760 -13.440 1.00 1.00 C ATOM 216 NE ARG A 15 61.017 -18.206 -13.779 1.00 1.00 N ATOM 217 CZ ARG A 15 59.906 -18.667 -14.285 1.00 1.00 C ATOM 218 NH1 ARG A 15 58.901 -17.861 -14.494 1.00 1.00 N ATOM 219 NH2 ARG A 15 59.799 -19.933 -14.582 1.00 1.00 N ATOM 0 H ARG A 15 63.839 -15.758 -9.975 1.00 1.00 H new ATOM 0 HA ARG A 15 64.810 -15.278 -12.002 1.00 1.00 H new ATOM 0 HB2 ARG A 15 61.968 -14.410 -12.722 1.00 1.00 H new ATOM 0 HB3 ARG A 15 63.229 -14.828 -13.865 1.00 1.00 H new ATOM 0 HG2 ARG A 15 63.252 -17.135 -13.183 1.00 1.00 H new ATOM 0 HG3 ARG A 15 62.404 -16.792 -11.688 1.00 1.00 H new ATOM 0 HD2 ARG A 15 60.315 -16.456 -12.794 1.00 1.00 H new ATOM 0 HD3 ARG A 15 61.074 -16.156 -14.345 1.00 1.00 H new ATOM 0 HE ARG A 15 61.802 -18.836 -13.615 1.00 1.00 H new ATOM 0 HH11 ARG A 15 58.984 -16.871 -14.262 1.00 1.00 H new ATOM 0 HH12 ARG A 15 58.032 -18.221 -14.890 1.00 1.00 H new ATOM 0 HH21 ARG A 15 60.584 -20.563 -14.419 1.00 1.00 H new ATOM 0 HH22 ARG A 15 58.930 -20.292 -14.977 1.00 1.00 H new ATOM 233 N VAL A 16 64.969 -12.680 -10.948 1.00 1.00 N ATOM 234 CA VAL A 16 65.350 -11.230 -10.947 1.00 1.00 C ATOM 235 C VAL A 16 64.389 -10.416 -11.822 1.00 1.00 C ATOM 236 O VAL A 16 64.604 -10.233 -13.003 1.00 1.00 O ATOM 237 CB VAL A 16 66.793 -11.072 -11.452 1.00 1.00 C ATOM 238 CG1 VAL A 16 66.849 -11.388 -12.948 1.00 1.00 C ATOM 239 CG2 VAL A 16 67.259 -9.633 -11.219 1.00 1.00 C ATOM 0 H VAL A 16 65.313 -13.209 -10.146 1.00 1.00 H new ATOM 0 HA VAL A 16 65.284 -10.852 -9.927 1.00 1.00 H new ATOM 0 HB VAL A 16 67.444 -11.759 -10.911 1.00 1.00 H new ATOM 0 HG11 VAL A 16 67.873 -11.276 -13.306 1.00 1.00 H new ATOM 0 HG12 VAL A 16 66.516 -12.412 -13.116 1.00 1.00 H new ATOM 0 HG13 VAL A 16 66.198 -10.701 -13.490 1.00 1.00 H new ATOM 0 HG21 VAL A 16 68.282 -9.520 -11.577 1.00 1.00 H new ATOM 0 HG22 VAL A 16 66.607 -8.947 -11.760 1.00 1.00 H new ATOM 0 HG23 VAL A 16 67.220 -9.406 -10.154 1.00 1.00 H new ATOM 249 N MET A 17 63.325 -9.926 -11.247 1.00 1.00 N ATOM 250 CA MET A 17 62.348 -9.124 -12.037 1.00 1.00 C ATOM 251 C MET A 17 61.297 -8.539 -11.086 1.00 1.00 C ATOM 252 O MET A 17 60.213 -9.066 -10.935 1.00 1.00 O ATOM 253 CB MET A 17 61.675 -10.027 -13.086 1.00 1.00 C ATOM 254 CG MET A 17 62.018 -9.523 -14.489 1.00 1.00 C ATOM 255 SD MET A 17 61.324 -7.867 -14.722 1.00 1.00 S ATOM 256 CE MET A 17 62.609 -7.235 -15.828 1.00 1.00 C ATOM 0 H MET A 17 63.090 -10.047 -10.262 1.00 1.00 H new ATOM 0 HA MET A 17 62.860 -8.310 -12.550 1.00 1.00 H new ATOM 0 HB2 MET A 17 62.012 -11.056 -12.965 1.00 1.00 H new ATOM 0 HB3 MET A 17 60.595 -10.027 -12.942 1.00 1.00 H new ATOM 0 HG2 MET A 17 63.099 -9.498 -14.624 1.00 1.00 H new ATOM 0 HG3 MET A 17 61.619 -10.205 -15.240 1.00 1.00 H new ATOM 0 HE1 MET A 17 62.378 -6.206 -16.104 1.00 1.00 H new ATOM 0 HE2 MET A 17 63.573 -7.267 -15.321 1.00 1.00 H new ATOM 0 HE3 MET A 17 62.651 -7.851 -16.726 1.00 1.00 H new ATOM 266 N GLY A 18 61.617 -7.450 -10.441 1.00 1.00 N ATOM 267 CA GLY A 18 60.650 -6.820 -9.496 1.00 1.00 C ATOM 268 C GLY A 18 59.918 -5.681 -10.205 1.00 1.00 C ATOM 269 O GLY A 18 60.434 -4.589 -10.343 1.00 1.00 O ATOM 0 H GLY A 18 62.511 -6.967 -10.528 1.00 1.00 H new ATOM 0 HA2 GLY A 18 59.935 -7.562 -9.142 1.00 1.00 H new ATOM 0 HA3 GLY A 18 61.175 -6.440 -8.620 1.00 1.00 H new ATOM 273 N GLY A 19 58.720 -5.925 -10.658 1.00 1.00 N ATOM 274 CA GLY A 19 57.957 -4.856 -11.361 1.00 1.00 C ATOM 275 C GLY A 19 58.840 -4.224 -12.439 1.00 1.00 C ATOM 276 O GLY A 19 59.956 -4.649 -12.664 1.00 1.00 O ATOM 0 H GLY A 19 58.236 -6.819 -10.572 1.00 1.00 H new ATOM 0 HA2 GLY A 19 57.057 -5.273 -11.812 1.00 1.00 H new ATOM 0 HA3 GLY A 19 57.634 -4.097 -10.649 1.00 1.00 H new ATOM 280 N PRO A 20 58.341 -3.214 -13.102 1.00 1.00 N ATOM 281 CA PRO A 20 59.093 -2.505 -14.181 1.00 1.00 C ATOM 282 C PRO A 20 60.386 -1.865 -13.663 1.00 1.00 C ATOM 283 O PRO A 20 60.887 -2.215 -12.613 1.00 1.00 O ATOM 284 CB PRO A 20 58.119 -1.422 -14.673 1.00 1.00 C ATOM 285 CG PRO A 20 56.771 -1.830 -14.176 1.00 1.00 C ATOM 286 CD PRO A 20 57.003 -2.639 -12.901 1.00 1.00 C ATOM 0 HA PRO A 20 59.405 -3.193 -14.967 1.00 1.00 H new ATOM 0 HB2 PRO A 20 58.398 -0.441 -14.287 1.00 1.00 H new ATOM 0 HB3 PRO A 20 58.130 -1.351 -15.761 1.00 1.00 H new ATOM 0 HG2 PRO A 20 56.152 -0.956 -13.973 1.00 1.00 H new ATOM 0 HG3 PRO A 20 56.247 -2.426 -14.923 1.00 1.00 H new ATOM 0 HD2 PRO A 20 56.966 -2.009 -12.013 1.00 1.00 H new ATOM 0 HD3 PRO A 20 56.247 -3.414 -12.774 1.00 1.00 H new ATOM 294 N CYS A 21 60.925 -0.927 -14.397 1.00 1.00 N ATOM 295 CA CYS A 21 62.182 -0.255 -13.958 1.00 1.00 C ATOM 296 C CYS A 21 62.069 1.249 -14.217 1.00 1.00 C ATOM 297 O CYS A 21 62.308 1.719 -15.312 1.00 1.00 O ATOM 298 CB CYS A 21 63.364 -0.821 -14.748 1.00 1.00 C ATOM 299 SG CYS A 21 63.241 -2.626 -14.807 1.00 1.00 S ATOM 0 H CYS A 21 60.547 -0.597 -15.285 1.00 1.00 H new ATOM 0 HA CYS A 21 62.339 -0.431 -12.894 1.00 1.00 H new ATOM 0 HB2 CYS A 21 63.369 -0.413 -15.759 1.00 1.00 H new ATOM 0 HB3 CYS A 21 64.303 -0.525 -14.280 1.00 1.00 H new ATOM 304 N THR A 22 61.702 2.008 -13.217 1.00 1.00 N ATOM 305 CA THR A 22 61.567 3.485 -13.399 1.00 1.00 C ATOM 306 C THR A 22 62.583 4.210 -12.508 1.00 1.00 C ATOM 307 O THR A 22 62.342 4.426 -11.337 1.00 1.00 O ATOM 308 CB THR A 22 60.153 3.910 -12.995 1.00 1.00 C ATOM 309 OG1 THR A 22 59.209 3.272 -13.843 1.00 1.00 O ATOM 310 CG2 THR A 22 60.017 5.428 -13.126 1.00 1.00 C ATOM 0 H THR A 22 61.489 1.668 -12.279 1.00 1.00 H new ATOM 0 HA THR A 22 61.751 3.742 -14.442 1.00 1.00 H new ATOM 0 HB THR A 22 59.967 3.620 -11.961 1.00 1.00 H new ATOM 0 HG1 THR A 22 58.303 3.541 -13.585 1.00 1.00 H new ATOM 0 HG21 THR A 22 59.010 5.729 -12.838 1.00 1.00 H new ATOM 0 HG22 THR A 22 60.742 5.916 -12.474 1.00 1.00 H new ATOM 0 HG23 THR A 22 60.202 5.722 -14.159 1.00 1.00 H new ATOM 318 N PRO A 23 63.710 4.593 -13.057 1.00 1.00 N ATOM 319 CA PRO A 23 64.771 5.317 -12.293 1.00 1.00 C ATOM 320 C PRO A 23 64.235 6.587 -11.621 1.00 1.00 C ATOM 321 O PRO A 23 63.386 7.272 -12.156 1.00 1.00 O ATOM 322 CB PRO A 23 65.819 5.675 -13.355 1.00 1.00 C ATOM 323 CG PRO A 23 65.588 4.721 -14.480 1.00 1.00 C ATOM 324 CD PRO A 23 64.097 4.375 -14.459 1.00 1.00 C ATOM 0 HA PRO A 23 65.170 4.706 -11.483 1.00 1.00 H new ATOM 0 HB2 PRO A 23 65.706 6.707 -13.686 1.00 1.00 H new ATOM 0 HB3 PRO A 23 66.829 5.577 -12.958 1.00 1.00 H new ATOM 0 HG2 PRO A 23 65.868 5.170 -15.433 1.00 1.00 H new ATOM 0 HG3 PRO A 23 66.196 3.824 -14.359 1.00 1.00 H new ATOM 0 HD2 PRO A 23 63.528 5.013 -15.136 1.00 1.00 H new ATOM 0 HD3 PRO A 23 63.920 3.345 -14.768 1.00 1.00 H new ATOM 332 N ARG A 24 64.728 6.906 -10.453 1.00 1.00 N ATOM 333 CA ARG A 24 64.254 8.132 -9.746 1.00 1.00 C ATOM 334 C ARG A 24 65.258 9.266 -9.972 1.00 1.00 C ATOM 335 O ARG A 24 66.208 9.424 -9.231 1.00 1.00 O ATOM 336 CB ARG A 24 64.137 7.840 -8.245 1.00 1.00 C ATOM 337 CG ARG A 24 63.540 9.053 -7.529 1.00 1.00 C ATOM 338 CD ARG A 24 62.013 8.980 -7.585 1.00 1.00 C ATOM 339 NE ARG A 24 61.436 10.265 -7.099 1.00 1.00 N ATOM 340 CZ ARG A 24 60.224 10.606 -7.441 1.00 1.00 C ATOM 341 NH1 ARG A 24 59.517 9.823 -8.208 1.00 1.00 N ATOM 342 NH2 ARG A 24 59.719 11.732 -7.015 1.00 1.00 N ATOM 0 H ARG A 24 65.440 6.369 -9.957 1.00 1.00 H new ATOM 0 HA ARG A 24 63.279 8.427 -10.134 1.00 1.00 H new ATOM 0 HB2 ARG A 24 63.509 6.964 -8.083 1.00 1.00 H new ATOM 0 HB3 ARG A 24 65.119 7.609 -7.832 1.00 1.00 H new ATOM 0 HG2 ARG A 24 63.875 9.078 -6.492 1.00 1.00 H new ATOM 0 HG3 ARG A 24 63.888 9.973 -7.999 1.00 1.00 H new ATOM 0 HD2 ARG A 24 61.685 8.785 -8.606 1.00 1.00 H new ATOM 0 HD3 ARG A 24 61.655 8.153 -6.971 1.00 1.00 H new ATOM 0 HE ARG A 24 61.988 10.878 -6.499 1.00 1.00 H new ATOM 0 HH11 ARG A 24 59.912 8.943 -8.541 1.00 1.00 H new ATOM 0 HH12 ARG A 24 58.570 10.090 -8.475 1.00 1.00 H new ATOM 0 HH21 ARG A 24 60.272 12.344 -6.415 1.00 1.00 H new ATOM 0 HH22 ARG A 24 58.772 11.999 -7.282 1.00 1.00 H new ATOM 356 N LYS A 25 65.055 10.056 -10.991 1.00 1.00 N ATOM 357 CA LYS A 25 65.997 11.177 -11.264 1.00 1.00 C ATOM 358 C LYS A 25 66.022 12.132 -10.067 1.00 1.00 C ATOM 359 O LYS A 25 65.261 11.991 -9.130 1.00 1.00 O ATOM 360 CB LYS A 25 65.552 11.930 -12.527 1.00 1.00 C ATOM 361 CG LYS A 25 64.303 12.760 -12.221 1.00 1.00 C ATOM 362 CD LYS A 25 63.180 11.837 -11.745 1.00 1.00 C ATOM 363 CE LYS A 25 61.838 12.561 -11.866 1.00 1.00 C ATOM 364 NZ LYS A 25 60.737 11.634 -11.476 1.00 1.00 N ATOM 0 H LYS A 25 64.277 9.973 -11.646 1.00 1.00 H new ATOM 0 HA LYS A 25 66.999 10.778 -11.422 1.00 1.00 H new ATOM 0 HB2 LYS A 25 66.355 12.579 -12.877 1.00 1.00 H new ATOM 0 HB3 LYS A 25 65.342 11.222 -13.329 1.00 1.00 H new ATOM 0 HG2 LYS A 25 64.526 13.503 -11.456 1.00 1.00 H new ATOM 0 HG3 LYS A 25 63.988 13.304 -13.111 1.00 1.00 H new ATOM 0 HD2 LYS A 25 63.168 10.924 -12.341 1.00 1.00 H new ATOM 0 HD3 LYS A 25 63.353 11.540 -10.711 1.00 1.00 H new ATOM 0 HE2 LYS A 25 61.829 13.443 -11.226 1.00 1.00 H new ATOM 0 HE3 LYS A 25 61.691 12.908 -12.889 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 59.824 12.125 -11.558 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 60.742 10.805 -12.104 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 60.876 11.324 -10.493 1.00 1.00 H new ATOM 378 N GLY A 26 66.892 13.105 -10.093 1.00 1.00 N ATOM 379 CA GLY A 26 66.968 14.072 -8.961 1.00 1.00 C ATOM 380 C GLY A 26 67.410 13.344 -7.689 1.00 1.00 C ATOM 381 O GLY A 26 66.628 13.128 -6.784 1.00 1.00 O ATOM 0 H GLY A 26 67.554 13.272 -10.851 1.00 1.00 H new ATOM 0 HA2 GLY A 26 67.672 14.870 -9.198 1.00 1.00 H new ATOM 0 HA3 GLY A 26 65.996 14.540 -8.804 1.00 1.00 H new ATOM 385 N PRO A 27 68.658 12.971 -7.627 1.00 1.00 N ATOM 386 CA PRO A 27 69.238 12.253 -6.458 1.00 1.00 C ATOM 387 C PRO A 27 69.466 13.191 -5.265 1.00 1.00 C ATOM 388 O PRO A 27 69.263 14.385 -5.359 1.00 1.00 O ATOM 389 CB PRO A 27 70.582 11.704 -6.979 1.00 1.00 C ATOM 390 CG PRO A 27 70.648 12.041 -8.435 1.00 1.00 C ATOM 391 CD PRO A 27 69.664 13.184 -8.673 1.00 1.00 C ATOM 0 HA PRO A 27 68.571 11.473 -6.093 1.00 1.00 H new ATOM 0 HB2 PRO A 27 71.418 12.151 -6.440 1.00 1.00 H new ATOM 0 HB3 PRO A 27 70.645 10.626 -6.828 1.00 1.00 H new ATOM 0 HG2 PRO A 27 71.658 12.337 -8.717 1.00 1.00 H new ATOM 0 HG3 PRO A 27 70.388 11.175 -9.044 1.00 1.00 H new ATOM 0 HD2 PRO A 27 70.145 14.158 -8.579 1.00 1.00 H new ATOM 0 HD3 PRO A 27 69.226 13.140 -9.670 1.00 1.00 H new ATOM 399 N PRO A 28 69.891 12.651 -4.152 1.00 1.00 N ATOM 400 CA PRO A 28 70.158 13.452 -2.920 1.00 1.00 C ATOM 401 C PRO A 28 71.045 14.669 -3.207 1.00 1.00 C ATOM 402 O PRO A 28 71.698 14.745 -4.229 1.00 1.00 O ATOM 403 CB PRO A 28 70.880 12.468 -1.992 1.00 1.00 C ATOM 404 CG PRO A 28 70.455 11.111 -2.447 1.00 1.00 C ATOM 405 CD PRO A 28 70.162 11.219 -3.945 1.00 1.00 C ATOM 0 HA PRO A 28 69.241 13.857 -2.492 1.00 1.00 H new ATOM 0 HB2 PRO A 28 71.962 12.585 -2.060 1.00 1.00 H new ATOM 0 HB3 PRO A 28 70.606 12.637 -0.951 1.00 1.00 H new ATOM 0 HG2 PRO A 28 71.238 10.377 -2.258 1.00 1.00 H new ATOM 0 HG3 PRO A 28 69.570 10.780 -1.903 1.00 1.00 H new ATOM 0 HD2 PRO A 28 71.009 10.883 -4.543 1.00 1.00 H new ATOM 0 HD3 PRO A 28 69.307 10.606 -4.230 1.00 1.00 H new ATOM 413 N LYS A 29 71.076 15.619 -2.312 1.00 1.00 N ATOM 414 CA LYS A 29 71.924 16.825 -2.537 1.00 1.00 C ATOM 415 C LYS A 29 73.367 16.512 -2.133 1.00 1.00 C ATOM 416 O LYS A 29 73.621 15.975 -1.074 1.00 1.00 O ATOM 417 CB LYS A 29 71.396 17.988 -1.691 1.00 1.00 C ATOM 418 CG LYS A 29 71.928 19.309 -2.250 1.00 1.00 C ATOM 419 CD LYS A 29 71.309 20.476 -1.478 1.00 1.00 C ATOM 420 CE LYS A 29 72.269 20.926 -0.375 1.00 1.00 C ATOM 421 NZ LYS A 29 71.703 22.116 0.321 1.00 1.00 N ATOM 0 H LYS A 29 70.552 15.613 -1.437 1.00 1.00 H new ATOM 0 HA LYS A 29 71.892 17.102 -3.591 1.00 1.00 H new ATOM 0 HB2 LYS A 29 70.306 17.991 -1.698 1.00 1.00 H new ATOM 0 HB3 LYS A 29 71.708 17.868 -0.654 1.00 1.00 H new ATOM 0 HG2 LYS A 29 73.014 19.340 -2.167 1.00 1.00 H new ATOM 0 HG3 LYS A 29 71.687 19.391 -3.310 1.00 1.00 H new ATOM 0 HD2 LYS A 29 71.102 21.305 -2.155 1.00 1.00 H new ATOM 0 HD3 LYS A 29 70.356 20.174 -1.044 1.00 1.00 H new ATOM 0 HE2 LYS A 29 72.427 20.116 0.337 1.00 1.00 H new ATOM 0 HE3 LYS A 29 73.242 21.170 -0.802 1.00 1.00 H new ATOM 0 HZ1 LYS A 29 72.355 22.422 1.071 1.00 1.00 H new ATOM 0 HZ2 LYS A 29 71.574 22.889 -0.363 1.00 1.00 H new ATOM 0 HZ3 LYS A 29 70.784 21.868 0.741 1.00 1.00 H new ATOM 435 N CYS A 30 74.314 16.842 -2.969 1.00 1.00 N ATOM 436 CA CYS A 30 75.739 16.561 -2.631 1.00 1.00 C ATOM 437 C CYS A 30 76.635 17.628 -3.262 1.00 1.00 C ATOM 438 O CYS A 30 76.219 18.367 -4.133 1.00 1.00 O ATOM 439 CB CYS A 30 76.129 15.184 -3.173 1.00 1.00 C ATOM 440 SG CYS A 30 75.030 13.927 -2.474 1.00 1.00 S ATOM 0 H CYS A 30 74.163 17.294 -3.871 1.00 1.00 H new ATOM 0 HA CYS A 30 75.864 16.576 -1.548 1.00 1.00 H new ATOM 0 HB2 CYS A 30 76.061 15.177 -4.261 1.00 1.00 H new ATOM 0 HB3 CYS A 30 77.165 14.960 -2.916 1.00 1.00 H new ATOM 445 N LYS A 31 77.865 17.712 -2.830 1.00 1.00 N ATOM 446 CA LYS A 31 78.794 18.724 -3.401 1.00 1.00 C ATOM 447 C LYS A 31 79.621 18.070 -4.510 1.00 1.00 C ATOM 448 O LYS A 31 79.135 17.821 -5.595 1.00 1.00 O ATOM 449 CB LYS A 31 79.718 19.231 -2.288 1.00 1.00 C ATOM 450 CG LYS A 31 80.706 20.252 -2.856 1.00 1.00 C ATOM 451 CD LYS A 31 82.106 19.966 -2.310 1.00 1.00 C ATOM 452 CE LYS A 31 82.165 20.348 -0.830 1.00 1.00 C ATOM 453 NZ LYS A 31 83.492 19.964 -0.270 1.00 1.00 N ATOM 0 H LYS A 31 78.266 17.120 -2.103 1.00 1.00 H new ATOM 0 HA LYS A 31 78.234 19.562 -3.816 1.00 1.00 H new ATOM 0 HB2 LYS A 31 79.128 19.687 -1.493 1.00 1.00 H new ATOM 0 HB3 LYS A 31 80.260 18.396 -1.844 1.00 1.00 H new ATOM 0 HG2 LYS A 31 80.712 20.202 -3.945 1.00 1.00 H new ATOM 0 HG3 LYS A 31 80.398 21.262 -2.585 1.00 1.00 H new ATOM 0 HD2 LYS A 31 82.347 18.910 -2.434 1.00 1.00 H new ATOM 0 HD3 LYS A 31 82.849 20.531 -2.872 1.00 1.00 H new ATOM 0 HE2 LYS A 31 82.006 21.420 -0.714 1.00 1.00 H new ATOM 0 HE3 LYS A 31 81.368 19.846 -0.282 1.00 1.00 H new ATOM 0 HZ1 LYS A 31 83.532 20.224 0.736 1.00 1.00 H new ATOM 0 HZ2 LYS A 31 83.626 18.937 -0.368 1.00 1.00 H new ATOM 0 HZ3 LYS A 31 84.244 20.463 -0.787 1.00 1.00 H new ATOM 467 N GLN A 32 80.864 17.789 -4.244 1.00 1.00 N ATOM 468 CA GLN A 32 81.723 17.150 -5.280 1.00 1.00 C ATOM 469 C GLN A 32 83.065 16.755 -4.659 1.00 1.00 C ATOM 470 O GLN A 32 83.707 17.541 -3.991 1.00 1.00 O ATOM 471 CB GLN A 32 81.961 18.136 -6.425 1.00 1.00 C ATOM 472 CG GLN A 32 82.853 17.484 -7.483 1.00 1.00 C ATOM 473 CD GLN A 32 82.868 18.350 -8.744 1.00 1.00 C ATOM 474 OE1 GLN A 32 82.465 19.496 -8.712 1.00 1.00 O ATOM 475 NE2 GLN A 32 83.318 17.847 -9.861 1.00 1.00 N ATOM 0 H GLN A 32 81.324 17.974 -3.353 1.00 1.00 H new ATOM 0 HA GLN A 32 81.225 16.260 -5.665 1.00 1.00 H new ATOM 0 HB2 GLN A 32 81.010 18.432 -6.868 1.00 1.00 H new ATOM 0 HB3 GLN A 32 82.432 19.043 -6.046 1.00 1.00 H new ATOM 0 HG2 GLN A 32 83.866 17.367 -7.098 1.00 1.00 H new ATOM 0 HG3 GLN A 32 82.485 16.486 -7.719 1.00 1.00 H new ATOM 0 HE21 GLN A 32 83.656 16.885 -9.887 1.00 1.00 H new ATOM 0 HE22 GLN A 32 83.332 18.416 -10.708 1.00 1.00 H new ATOM 484 N ARG A 33 83.495 15.541 -4.876 1.00 1.00 N ATOM 485 CA ARG A 33 84.796 15.093 -4.300 1.00 1.00 C ATOM 486 C ARG A 33 85.907 15.310 -5.330 1.00 1.00 C ATOM 487 O ARG A 33 86.269 16.427 -5.641 1.00 1.00 O ATOM 488 CB ARG A 33 84.712 13.604 -3.946 1.00 1.00 C ATOM 489 CG ARG A 33 84.030 12.842 -5.084 1.00 1.00 C ATOM 490 CD ARG A 33 82.528 12.747 -4.808 1.00 1.00 C ATOM 491 NE ARG A 33 81.801 12.527 -6.089 1.00 1.00 N ATOM 492 CZ ARG A 33 81.802 11.347 -6.646 1.00 1.00 C ATOM 493 NH1 ARG A 33 82.440 10.359 -6.081 1.00 1.00 N ATOM 494 NH2 ARG A 33 81.164 11.155 -7.769 1.00 1.00 N ATOM 0 H ARG A 33 83.001 14.840 -5.428 1.00 1.00 H new ATOM 0 HA ARG A 33 85.014 15.668 -3.400 1.00 1.00 H new ATOM 0 HB2 ARG A 33 85.711 13.204 -3.775 1.00 1.00 H new ATOM 0 HB3 ARG A 33 84.153 13.471 -3.020 1.00 1.00 H new ATOM 0 HG2 ARG A 33 84.205 13.351 -6.032 1.00 1.00 H new ATOM 0 HG3 ARG A 33 84.458 11.843 -5.174 1.00 1.00 H new ATOM 0 HD2 ARG A 33 82.325 11.929 -4.117 1.00 1.00 H new ATOM 0 HD3 ARG A 33 82.177 13.662 -4.330 1.00 1.00 H new ATOM 0 HE ARG A 33 81.302 13.299 -6.531 1.00 1.00 H new ATOM 0 HH11 ARG A 33 82.938 10.509 -5.204 1.00 1.00 H new ATOM 0 HH12 ARG A 33 82.441 9.437 -6.517 1.00 1.00 H new ATOM 0 HH21 ARG A 33 80.665 11.927 -8.211 1.00 1.00 H new ATOM 0 HH22 ARG A 33 81.165 10.233 -8.205 1.00 1.00 H new ATOM 508 N GLN A 34 86.449 14.249 -5.863 1.00 1.00 N ATOM 509 CA GLN A 34 87.534 14.394 -6.873 1.00 1.00 C ATOM 510 C GLN A 34 87.806 13.038 -7.527 1.00 1.00 C ATOM 511 O GLN A 34 88.110 12.953 -8.700 1.00 1.00 O ATOM 512 CB GLN A 34 88.808 14.911 -6.193 1.00 1.00 C ATOM 513 CG GLN A 34 89.375 13.830 -5.271 1.00 1.00 C ATOM 514 CD GLN A 34 88.310 13.416 -4.254 1.00 1.00 C ATOM 515 OE1 GLN A 34 87.879 12.280 -4.236 1.00 1.00 O ATOM 516 NE2 GLN A 34 87.864 14.296 -3.399 1.00 1.00 N ATOM 0 H GLN A 34 86.187 13.288 -5.642 1.00 1.00 H new ATOM 0 HA GLN A 34 87.226 15.107 -7.638 1.00 1.00 H new ATOM 0 HB2 GLN A 34 89.548 15.186 -6.945 1.00 1.00 H new ATOM 0 HB3 GLN A 34 88.586 15.812 -5.620 1.00 1.00 H new ATOM 0 HG2 GLN A 34 89.689 12.966 -5.857 1.00 1.00 H new ATOM 0 HG3 GLN A 34 90.259 14.204 -4.755 1.00 1.00 H new ATOM 0 HE21 GLN A 34 88.225 15.250 -3.413 1.00 1.00 H new ATOM 0 HE22 GLN A 34 87.154 14.030 -2.716 1.00 1.00 H new ATOM 525 N THR A 35 87.697 11.977 -6.777 1.00 1.00 N ATOM 526 CA THR A 35 87.947 10.626 -7.353 1.00 1.00 C ATOM 527 C THR A 35 87.474 9.554 -6.366 1.00 1.00 C ATOM 528 O THR A 35 86.421 9.668 -5.769 1.00 1.00 O ATOM 529 CB THR A 35 89.448 10.455 -7.619 1.00 1.00 C ATOM 530 OG1 THR A 35 89.991 11.689 -8.067 1.00 1.00 O ATOM 531 CG2 THR A 35 89.660 9.383 -8.689 1.00 1.00 C ATOM 0 H THR A 35 87.445 11.987 -5.789 1.00 1.00 H new ATOM 0 HA THR A 35 87.399 10.522 -8.289 1.00 1.00 H new ATOM 0 HB THR A 35 89.948 10.150 -6.700 1.00 1.00 H new ATOM 0 HG1 THR A 35 89.402 12.078 -8.746 1.00 1.00 H new ATOM 0 HG21 THR A 35 90.727 9.263 -8.877 1.00 1.00 H new ATOM 0 HG22 THR A 35 89.243 8.437 -8.344 1.00 1.00 H new ATOM 0 HG23 THR A 35 89.161 9.685 -9.610 1.00 1.00 H new ATOM 539 N ARG A 36 88.243 8.514 -6.189 1.00 1.00 N ATOM 540 CA ARG A 36 87.840 7.436 -5.241 1.00 1.00 C ATOM 541 C ARG A 36 89.094 6.747 -4.697 1.00 1.00 C ATOM 542 O ARG A 36 89.509 5.713 -5.181 1.00 1.00 O ATOM 543 CB ARG A 36 86.961 6.413 -5.971 1.00 1.00 C ATOM 544 CG ARG A 36 87.722 5.839 -7.168 1.00 1.00 C ATOM 545 CD ARG A 36 86.744 5.566 -8.312 1.00 1.00 C ATOM 546 NE ARG A 36 86.280 6.860 -8.888 1.00 1.00 N ATOM 547 CZ ARG A 36 85.174 6.907 -9.579 1.00 1.00 C ATOM 548 NH1 ARG A 36 84.475 5.821 -9.766 1.00 1.00 N ATOM 549 NH2 ARG A 36 84.767 8.040 -10.083 1.00 1.00 N ATOM 0 H ARG A 36 89.135 8.364 -6.661 1.00 1.00 H new ATOM 0 HA ARG A 36 87.276 7.867 -4.414 1.00 1.00 H new ATOM 0 HB2 ARG A 36 86.678 5.611 -5.290 1.00 1.00 H new ATOM 0 HB3 ARG A 36 86.039 6.886 -6.307 1.00 1.00 H new ATOM 0 HG2 ARG A 36 88.492 6.539 -7.493 1.00 1.00 H new ATOM 0 HG3 ARG A 36 88.230 4.918 -6.882 1.00 1.00 H new ATOM 0 HD2 ARG A 36 87.227 4.965 -9.082 1.00 1.00 H new ATOM 0 HD3 ARG A 36 85.892 4.992 -7.947 1.00 1.00 H new ATOM 0 HE ARG A 36 86.827 7.709 -8.742 1.00 1.00 H new ATOM 0 HH11 ARG A 36 84.793 4.936 -9.372 1.00 1.00 H new ATOM 0 HH12 ARG A 36 83.610 5.858 -10.306 1.00 1.00 H new ATOM 0 HH21 ARG A 36 85.313 8.889 -9.937 1.00 1.00 H new ATOM 0 HH22 ARG A 36 83.903 8.077 -10.623 1.00 1.00 H new ATOM 563 N GLN A 37 89.705 7.317 -3.694 1.00 1.00 N ATOM 564 CA GLN A 37 90.935 6.701 -3.122 1.00 1.00 C ATOM 565 C GLN A 37 90.578 5.377 -2.441 1.00 1.00 C ATOM 566 O GLN A 37 89.778 4.611 -2.939 1.00 1.00 O ATOM 567 CB GLN A 37 91.558 7.656 -2.097 1.00 1.00 C ATOM 568 CG GLN A 37 93.044 7.331 -1.931 1.00 1.00 C ATOM 569 CD GLN A 37 93.550 7.917 -0.611 1.00 1.00 C ATOM 570 OE1 GLN A 37 93.321 7.357 0.443 1.00 1.00 O ATOM 571 NE2 GLN A 37 94.235 9.028 -0.624 1.00 1.00 N ATOM 0 H GLN A 37 89.405 8.183 -3.246 1.00 1.00 H new ATOM 0 HA GLN A 37 91.651 6.513 -3.922 1.00 1.00 H new ATOM 0 HB2 GLN A 37 91.435 8.688 -2.425 1.00 1.00 H new ATOM 0 HB3 GLN A 37 91.046 7.563 -1.139 1.00 1.00 H new ATOM 0 HG2 GLN A 37 93.195 6.252 -1.943 1.00 1.00 H new ATOM 0 HG3 GLN A 37 93.613 7.742 -2.765 1.00 1.00 H new ATOM 0 HE21 GLN A 37 94.427 9.498 -1.508 1.00 1.00 H new ATOM 0 HE22 GLN A 37 94.578 9.426 0.250 1.00 1.00 H new ATOM 580 N CYS A 38 91.170 5.106 -1.306 1.00 1.00 N ATOM 581 CA CYS A 38 90.884 3.833 -0.582 1.00 1.00 C ATOM 582 C CYS A 38 91.364 2.649 -1.427 1.00 1.00 C ATOM 583 O CYS A 38 91.977 1.727 -0.926 1.00 1.00 O ATOM 584 CB CYS A 38 89.374 3.715 -0.316 1.00 1.00 C ATOM 585 SG CYS A 38 88.796 2.077 -0.826 1.00 1.00 S ATOM 0 H CYS A 38 91.845 5.718 -0.847 1.00 1.00 H new ATOM 0 HA CYS A 38 91.411 3.829 0.372 1.00 1.00 H new ATOM 0 HB2 CYS A 38 89.167 3.872 0.743 1.00 1.00 H new ATOM 0 HB3 CYS A 38 88.836 4.489 -0.864 1.00 1.00 H new ATOM 590 N LYS A 39 91.097 2.666 -2.705 1.00 1.00 N ATOM 591 CA LYS A 39 91.543 1.544 -3.579 1.00 1.00 C ATOM 592 C LYS A 39 91.029 0.217 -3.013 1.00 1.00 C ATOM 593 O LYS A 39 90.004 -0.288 -3.428 1.00 1.00 O ATOM 594 CB LYS A 39 93.072 1.522 -3.640 1.00 1.00 C ATOM 595 CG LYS A 39 93.590 2.925 -3.961 1.00 1.00 C ATOM 596 CD LYS A 39 95.097 2.866 -4.221 1.00 1.00 C ATOM 597 CE LYS A 39 95.355 2.265 -5.604 1.00 1.00 C ATOM 598 NZ LYS A 39 96.678 2.729 -6.108 1.00 1.00 N ATOM 0 H LYS A 39 90.588 3.410 -3.182 1.00 1.00 H new ATOM 0 HA LYS A 39 91.144 1.684 -4.583 1.00 1.00 H new ATOM 0 HB2 LYS A 39 93.480 1.181 -2.688 1.00 1.00 H new ATOM 0 HB3 LYS A 39 93.406 0.817 -4.401 1.00 1.00 H new ATOM 0 HG2 LYS A 39 93.075 3.323 -4.835 1.00 1.00 H new ATOM 0 HG3 LYS A 39 93.379 3.600 -3.132 1.00 1.00 H new ATOM 0 HD2 LYS A 39 95.526 3.866 -4.162 1.00 1.00 H new ATOM 0 HD3 LYS A 39 95.585 2.264 -3.455 1.00 1.00 H new ATOM 0 HE2 LYS A 39 95.336 1.177 -5.549 1.00 1.00 H new ATOM 0 HE3 LYS A 39 94.566 2.563 -6.295 1.00 1.00 H new ATOM 0 HZ1 LYS A 39 96.854 2.321 -7.048 1.00 1.00 H new ATOM 0 HZ2 LYS A 39 96.679 3.767 -6.175 1.00 1.00 H new ATOM 0 HZ3 LYS A 39 97.426 2.424 -5.453 1.00 1.00 H new ATOM 612 N SER A 40 91.729 -0.350 -2.067 1.00 1.00 N ATOM 613 CA SER A 40 91.282 -1.642 -1.472 1.00 1.00 C ATOM 614 C SER A 40 91.506 -1.606 0.041 1.00 1.00 C ATOM 615 O SER A 40 90.990 -2.426 0.775 1.00 1.00 O ATOM 616 CB SER A 40 92.089 -2.790 -2.078 1.00 1.00 C ATOM 617 OG SER A 40 92.050 -3.906 -1.199 1.00 1.00 O ATOM 0 H SER A 40 92.594 0.028 -1.680 1.00 1.00 H new ATOM 0 HA SER A 40 90.223 -1.793 -1.682 1.00 1.00 H new ATOM 0 HB2 SER A 40 91.680 -3.064 -3.050 1.00 1.00 H new ATOM 0 HB3 SER A 40 93.120 -2.478 -2.243 1.00 1.00 H new ATOM 0 HG SER A 40 92.565 -4.645 -1.585 1.00 1.00 H new ATOM 623 N LYS A 41 92.271 -0.660 0.513 1.00 1.00 N ATOM 624 CA LYS A 41 92.526 -0.571 1.978 1.00 1.00 C ATOM 625 C LYS A 41 91.189 -0.437 2.716 1.00 1.00 C ATOM 626 O LYS A 41 90.240 0.111 2.190 1.00 1.00 O ATOM 627 CB LYS A 41 93.394 0.655 2.269 1.00 1.00 C ATOM 628 CG LYS A 41 94.837 0.372 1.846 1.00 1.00 C ATOM 629 CD LYS A 41 95.675 1.642 2.008 1.00 1.00 C ATOM 630 CE LYS A 41 97.159 1.293 1.883 1.00 1.00 C ATOM 631 NZ LYS A 41 97.369 0.438 0.681 1.00 1.00 N ATOM 0 H LYS A 41 92.730 0.054 -0.052 1.00 1.00 H new ATOM 0 HA LYS A 41 93.042 -1.470 2.316 1.00 1.00 H new ATOM 0 HB2 LYS A 41 93.010 1.522 1.731 1.00 1.00 H new ATOM 0 HB3 LYS A 41 93.356 0.897 3.331 1.00 1.00 H new ATOM 0 HG2 LYS A 41 95.254 -0.432 2.453 1.00 1.00 H new ATOM 0 HG3 LYS A 41 94.864 0.036 0.810 1.00 1.00 H new ATOM 0 HD2 LYS A 41 95.397 2.373 1.249 1.00 1.00 H new ATOM 0 HD3 LYS A 41 95.478 2.099 2.978 1.00 1.00 H new ATOM 0 HE2 LYS A 41 97.752 2.204 1.803 1.00 1.00 H new ATOM 0 HE3 LYS A 41 97.497 0.770 2.778 1.00 1.00 H new ATOM 0 HZ1 LYS A 41 98.365 0.491 0.387 1.00 1.00 H new ATOM 0 HZ2 LYS A 41 97.127 -0.547 0.909 1.00 1.00 H new ATOM 0 HZ3 LYS A 41 96.762 0.773 -0.094 1.00 1.00 H new ATOM 645 N PRO A 42 91.110 -0.932 3.926 1.00 1.00 N ATOM 646 CA PRO A 42 89.861 -0.859 4.740 1.00 1.00 C ATOM 647 C PRO A 42 89.602 0.559 5.271 1.00 1.00 C ATOM 648 O PRO A 42 90.511 1.357 5.388 1.00 1.00 O ATOM 649 CB PRO A 42 90.131 -1.826 5.897 1.00 1.00 C ATOM 650 CG PRO A 42 91.616 -1.841 6.048 1.00 1.00 C ATOM 651 CD PRO A 42 92.197 -1.610 4.651 1.00 1.00 C ATOM 0 HA PRO A 42 88.976 -1.114 4.157 1.00 1.00 H new ATOM 0 HB2 PRO A 42 89.644 -1.491 6.813 1.00 1.00 H new ATOM 0 HB3 PRO A 42 89.746 -2.822 5.677 1.00 1.00 H new ATOM 0 HG2 PRO A 42 91.944 -1.063 6.738 1.00 1.00 H new ATOM 0 HG3 PRO A 42 91.955 -2.793 6.457 1.00 1.00 H new ATOM 0 HD2 PRO A 42 93.097 -0.996 4.689 1.00 1.00 H new ATOM 0 HD3 PRO A 42 92.472 -2.550 4.172 1.00 1.00 H new ATOM 659 N PRO A 43 88.371 0.866 5.591 1.00 1.00 N ATOM 660 CA PRO A 43 87.988 2.208 6.121 1.00 1.00 C ATOM 661 C PRO A 43 88.435 2.404 7.574 1.00 1.00 C ATOM 662 O PRO A 43 88.487 1.469 8.348 1.00 1.00 O ATOM 663 CB PRO A 43 86.460 2.209 6.022 1.00 1.00 C ATOM 664 CG PRO A 43 86.066 0.772 6.110 1.00 1.00 C ATOM 665 CD PRO A 43 87.209 -0.032 5.486 1.00 1.00 C ATOM 0 HA PRO A 43 88.461 3.018 5.566 1.00 1.00 H new ATOM 0 HB2 PRO A 43 86.013 2.791 6.828 1.00 1.00 H new ATOM 0 HB3 PRO A 43 86.126 2.653 5.084 1.00 1.00 H new ATOM 0 HG2 PRO A 43 85.905 0.477 7.147 1.00 1.00 H new ATOM 0 HG3 PRO A 43 85.131 0.593 5.579 1.00 1.00 H new ATOM 0 HD2 PRO A 43 87.377 -0.967 6.020 1.00 1.00 H new ATOM 0 HD3 PRO A 43 86.996 -0.290 4.449 1.00 1.00 H new ATOM 673 N LYS A 44 88.756 3.612 7.951 1.00 1.00 N ATOM 674 CA LYS A 44 89.196 3.863 9.353 1.00 1.00 C ATOM 675 C LYS A 44 88.082 3.442 10.316 1.00 1.00 C ATOM 676 O LYS A 44 87.127 2.796 9.932 1.00 1.00 O ATOM 677 CB LYS A 44 89.500 5.357 9.534 1.00 1.00 C ATOM 678 CG LYS A 44 90.975 5.619 9.226 1.00 1.00 C ATOM 679 CD LYS A 44 91.230 7.128 9.192 1.00 1.00 C ATOM 680 CE LYS A 44 91.274 7.671 10.621 1.00 1.00 C ATOM 681 NZ LYS A 44 92.241 6.872 11.426 1.00 1.00 N ATOM 0 H LYS A 44 88.733 4.435 7.349 1.00 1.00 H new ATOM 0 HA LYS A 44 90.096 3.285 9.564 1.00 1.00 H new ATOM 0 HB2 LYS A 44 88.869 5.950 8.872 1.00 1.00 H new ATOM 0 HB3 LYS A 44 89.270 5.665 10.554 1.00 1.00 H new ATOM 0 HG2 LYS A 44 91.604 5.150 9.983 1.00 1.00 H new ATOM 0 HG3 LYS A 44 91.242 5.173 8.268 1.00 1.00 H new ATOM 0 HD2 LYS A 44 92.171 7.337 8.683 1.00 1.00 H new ATOM 0 HD3 LYS A 44 90.444 7.628 8.626 1.00 1.00 H new ATOM 0 HE2 LYS A 44 91.570 8.720 10.614 1.00 1.00 H new ATOM 0 HE3 LYS A 44 90.282 7.622 11.071 1.00 1.00 H new ATOM 0 HZ1 LYS A 44 92.607 7.454 12.207 1.00 1.00 H new ATOM 0 HZ2 LYS A 44 91.761 6.035 11.814 1.00 1.00 H new ATOM 0 HZ3 LYS A 44 93.030 6.569 10.820 1.00 1.00 H new ATOM 695 N LYS A 45 88.199 3.801 11.565 1.00 1.00 N ATOM 696 CA LYS A 45 87.150 3.421 12.554 1.00 1.00 C ATOM 697 C LYS A 45 85.845 4.147 12.224 1.00 1.00 C ATOM 698 O LYS A 45 85.589 5.232 12.710 1.00 1.00 O ATOM 699 CB LYS A 45 87.606 3.818 13.960 1.00 1.00 C ATOM 700 CG LYS A 45 88.709 2.867 14.429 1.00 1.00 C ATOM 701 CD LYS A 45 89.960 3.075 13.573 1.00 1.00 C ATOM 702 CE LYS A 45 91.189 2.573 14.334 1.00 1.00 C ATOM 703 NZ LYS A 45 90.821 1.372 15.134 1.00 1.00 N ATOM 0 H LYS A 45 88.976 4.342 11.944 1.00 1.00 H new ATOM 0 HA LYS A 45 86.989 2.344 12.511 1.00 1.00 H new ATOM 0 HB2 LYS A 45 87.973 4.844 13.958 1.00 1.00 H new ATOM 0 HB3 LYS A 45 86.763 3.782 14.650 1.00 1.00 H new ATOM 0 HG2 LYS A 45 88.939 3.049 15.479 1.00 1.00 H new ATOM 0 HG3 LYS A 45 88.370 1.834 14.352 1.00 1.00 H new ATOM 0 HD2 LYS A 45 89.860 2.540 12.629 1.00 1.00 H new ATOM 0 HD3 LYS A 45 90.076 4.131 13.330 1.00 1.00 H new ATOM 0 HE2 LYS A 45 91.988 2.326 13.634 1.00 1.00 H new ATOM 0 HE3 LYS A 45 91.570 3.357 14.989 1.00 1.00 H new ATOM 0 HZ1 LYS A 45 91.680 0.837 15.372 1.00 1.00 H new ATOM 0 HZ2 LYS A 45 90.345 1.670 16.009 1.00 1.00 H new ATOM 0 HZ3 LYS A 45 90.180 0.769 14.580 1.00 1.00 H new ATOM 717 N GLY A 46 85.013 3.560 11.408 1.00 1.00 N ATOM 718 CA GLY A 46 83.725 4.223 11.058 1.00 1.00 C ATOM 719 C GLY A 46 83.001 4.635 12.342 1.00 1.00 C ATOM 720 O GLY A 46 82.754 5.801 12.581 1.00 1.00 O ATOM 0 H GLY A 46 85.169 2.652 10.969 1.00 1.00 H new ATOM 0 HA2 GLY A 46 83.911 5.098 10.435 1.00 1.00 H new ATOM 0 HA3 GLY A 46 83.100 3.545 10.477 1.00 1.00 H new ATOM 724 N VAL A 47 82.663 3.684 13.172 1.00 1.00 N ATOM 725 CA VAL A 47 81.957 4.008 14.446 1.00 1.00 C ATOM 726 C VAL A 47 80.864 5.044 14.188 1.00 1.00 C ATOM 727 O VAL A 47 81.034 6.219 14.444 1.00 1.00 O ATOM 728 CB VAL A 47 82.961 4.553 15.460 1.00 1.00 C ATOM 729 CG1 VAL A 47 82.221 5.004 16.721 1.00 1.00 C ATOM 730 CG2 VAL A 47 83.963 3.456 15.824 1.00 1.00 C ATOM 0 H VAL A 47 82.847 2.692 13.021 1.00 1.00 H new ATOM 0 HA VAL A 47 81.498 3.103 14.843 1.00 1.00 H new ATOM 0 HB VAL A 47 83.490 5.402 15.026 1.00 1.00 H new ATOM 0 HG11 VAL A 47 82.938 5.393 17.444 1.00 1.00 H new ATOM 0 HG12 VAL A 47 81.506 5.785 16.463 1.00 1.00 H new ATOM 0 HG13 VAL A 47 81.691 4.156 17.155 1.00 1.00 H new ATOM 0 HG21 VAL A 47 84.680 3.844 16.548 1.00 1.00 H new ATOM 0 HG22 VAL A 47 83.433 2.608 16.257 1.00 1.00 H new ATOM 0 HG23 VAL A 47 84.491 3.133 14.927 1.00 1.00 H new ATOM 740 N GLN A 48 79.743 4.602 13.686 1.00 1.00 N ATOM 741 CA GLN A 48 78.602 5.529 13.399 1.00 1.00 C ATOM 742 C GLN A 48 79.115 6.953 13.159 1.00 1.00 C ATOM 743 O GLN A 48 79.067 7.794 14.035 1.00 1.00 O ATOM 744 CB GLN A 48 77.636 5.527 14.587 1.00 1.00 C ATOM 745 CG GLN A 48 78.432 5.525 15.894 1.00 1.00 C ATOM 746 CD GLN A 48 77.470 5.640 17.078 1.00 1.00 C ATOM 747 OE1 GLN A 48 76.861 4.667 17.477 1.00 1.00 O ATOM 748 NE2 GLN A 48 77.306 6.796 17.660 1.00 1.00 N ATOM 0 H GLN A 48 79.564 3.624 13.458 1.00 1.00 H new ATOM 0 HA GLN A 48 78.087 5.187 12.501 1.00 1.00 H new ATOM 0 HB2 GLN A 48 76.989 6.403 14.544 1.00 1.00 H new ATOM 0 HB3 GLN A 48 76.989 4.651 14.542 1.00 1.00 H new ATOM 0 HG2 GLN A 48 79.017 4.609 15.975 1.00 1.00 H new ATOM 0 HG3 GLN A 48 79.138 6.355 15.903 1.00 1.00 H new ATOM 0 HE21 GLN A 48 77.817 7.613 17.325 1.00 1.00 H new ATOM 0 HE22 GLN A 48 76.667 6.883 18.450 1.00 1.00 H new ATOM 757 N GLY A 49 79.603 7.230 11.978 1.00 1.00 N ATOM 758 CA GLY A 49 80.118 8.599 11.676 1.00 1.00 C ATOM 759 C GLY A 49 81.571 8.506 11.207 1.00 1.00 C ATOM 760 O GLY A 49 82.494 8.676 11.979 1.00 1.00 O ATOM 0 H GLY A 49 79.667 6.565 11.207 1.00 1.00 H new ATOM 0 HA2 GLY A 49 79.505 9.068 10.906 1.00 1.00 H new ATOM 0 HA3 GLY A 49 80.051 9.228 12.563 1.00 1.00 H new ATOM 764 N CYS A 50 81.782 8.237 9.948 1.00 1.00 N ATOM 765 CA CYS A 50 83.176 8.135 9.433 1.00 1.00 C ATOM 766 C CYS A 50 83.913 9.451 9.692 1.00 1.00 C ATOM 767 O CYS A 50 84.603 9.602 10.681 1.00 1.00 O ATOM 768 CB CYS A 50 83.143 7.853 7.929 1.00 1.00 C ATOM 769 SG CYS A 50 81.813 8.813 7.164 1.00 1.00 S ATOM 0 H CYS A 50 81.050 8.084 9.254 1.00 1.00 H new ATOM 0 HA CYS A 50 83.695 7.323 9.943 1.00 1.00 H new ATOM 0 HB2 CYS A 50 84.100 8.114 7.478 1.00 1.00 H new ATOM 0 HB3 CYS A 50 82.987 6.789 7.751 1.00 1.00 H new ATOM 774 N GLY A 51 83.771 10.405 8.811 1.00 1.00 N ATOM 775 CA GLY A 51 84.462 11.714 9.003 1.00 1.00 C ATOM 776 C GLY A 51 83.463 12.746 9.528 1.00 1.00 C ATOM 777 O GLY A 51 83.284 12.900 10.720 1.00 1.00 O ATOM 0 H GLY A 51 83.205 10.334 7.965 1.00 1.00 H new ATOM 0 HA2 GLY A 51 85.288 11.602 9.705 1.00 1.00 H new ATOM 0 HA3 GLY A 51 84.890 12.053 8.060 1.00 1.00 H new ATOM 781 N ASP A 52 82.809 13.455 8.648 1.00 1.00 N ATOM 782 CA ASP A 52 81.822 14.477 9.099 1.00 1.00 C ATOM 783 C ASP A 52 80.820 14.749 7.975 1.00 1.00 C ATOM 784 O ASP A 52 79.902 15.532 8.126 1.00 1.00 O ATOM 785 CB ASP A 52 82.556 15.772 9.453 1.00 1.00 C ATOM 786 CG ASP A 52 83.406 15.551 10.705 1.00 1.00 C ATOM 787 OD1 ASP A 52 82.831 15.296 11.751 1.00 1.00 O ATOM 788 OD2 ASP A 52 84.618 15.641 10.598 1.00 1.00 O ATOM 0 H ASP A 52 82.916 13.371 7.637 1.00 1.00 H new ATOM 0 HA ASP A 52 81.291 14.108 9.977 1.00 1.00 H new ATOM 0 HB2 ASP A 52 83.188 16.083 8.621 1.00 1.00 H new ATOM 0 HB3 ASP A 52 81.838 16.574 9.625 1.00 1.00 H new ATOM 793 N ASP A 53 80.988 14.110 6.848 1.00 1.00 N ATOM 794 CA ASP A 53 80.046 14.331 5.712 1.00 1.00 C ATOM 795 C ASP A 53 78.994 13.219 5.696 1.00 1.00 C ATOM 796 O ASP A 53 79.144 12.222 5.017 1.00 1.00 O ATOM 797 CB ASP A 53 80.825 14.312 4.395 1.00 1.00 C ATOM 798 CG ASP A 53 81.714 15.554 4.309 1.00 1.00 C ATOM 799 OD1 ASP A 53 82.688 15.613 5.041 1.00 1.00 O ATOM 800 OD2 ASP A 53 81.404 16.426 3.513 1.00 1.00 O ATOM 0 H ASP A 53 81.738 13.443 6.665 1.00 1.00 H new ATOM 0 HA ASP A 53 79.553 15.296 5.831 1.00 1.00 H new ATOM 0 HB2 ASP A 53 81.435 13.411 4.334 1.00 1.00 H new ATOM 0 HB3 ASP A 53 80.134 14.287 3.552 1.00 1.00 H new ATOM 805 N ILE A 54 77.931 13.382 6.439 1.00 1.00 N ATOM 806 CA ILE A 54 76.864 12.338 6.470 1.00 1.00 C ATOM 807 C ILE A 54 75.495 13.013 6.340 1.00 1.00 C ATOM 808 O ILE A 54 74.794 13.205 7.314 1.00 1.00 O ATOM 809 CB ILE A 54 76.932 11.579 7.801 1.00 1.00 C ATOM 810 CG1 ILE A 54 78.389 11.231 8.114 1.00 1.00 C ATOM 811 CG2 ILE A 54 76.113 10.291 7.698 1.00 1.00 C ATOM 812 CD1 ILE A 54 79.006 12.339 8.970 1.00 1.00 C ATOM 0 H ILE A 54 77.755 14.196 7.028 1.00 1.00 H new ATOM 0 HA ILE A 54 77.010 11.640 5.645 1.00 1.00 H new ATOM 0 HB ILE A 54 76.527 12.204 8.596 1.00 1.00 H new ATOM 0 HG12 ILE A 54 78.441 10.278 8.641 1.00 1.00 H new ATOM 0 HG13 ILE A 54 78.953 11.115 7.189 1.00 1.00 H new ATOM 0 HG21 ILE A 54 76.162 9.752 8.644 1.00 1.00 H new ATOM 0 HG22 ILE A 54 75.075 10.537 7.473 1.00 1.00 H new ATOM 0 HG23 ILE A 54 76.518 9.665 6.903 1.00 1.00 H new ATOM 0 HD11 ILE A 54 80.044 12.091 9.193 1.00 1.00 H new ATOM 0 HD12 ILE A 54 78.967 13.283 8.426 1.00 1.00 H new ATOM 0 HD13 ILE A 54 78.447 12.433 9.901 1.00 1.00 H new ATOM 824 N PRO A 55 75.123 13.376 5.141 1.00 1.00 N ATOM 825 CA PRO A 55 73.828 14.049 4.862 1.00 1.00 C ATOM 826 C PRO A 55 72.682 13.066 4.580 1.00 1.00 C ATOM 827 O PRO A 55 71.798 12.880 5.394 1.00 1.00 O ATOM 828 CB PRO A 55 74.144 14.875 3.615 1.00 1.00 C ATOM 829 CG PRO A 55 75.204 14.109 2.888 1.00 1.00 C ATOM 830 CD PRO A 55 75.900 13.196 3.906 1.00 1.00 C ATOM 0 HA PRO A 55 73.479 14.630 5.715 1.00 1.00 H new ATOM 0 HB2 PRO A 55 73.257 15.004 2.994 1.00 1.00 H new ATOM 0 HB3 PRO A 55 74.494 15.872 3.883 1.00 1.00 H new ATOM 0 HG2 PRO A 55 74.766 13.520 2.083 1.00 1.00 H new ATOM 0 HG3 PRO A 55 75.922 14.790 2.431 1.00 1.00 H new ATOM 0 HD2 PRO A 55 75.893 12.156 3.579 1.00 1.00 H new ATOM 0 HD3 PRO A 55 76.943 13.479 4.047 1.00 1.00 H new ATOM 838 N GLY A 56 72.677 12.457 3.425 1.00 1.00 N ATOM 839 CA GLY A 56 71.576 11.511 3.078 1.00 1.00 C ATOM 840 C GLY A 56 71.744 10.182 3.821 1.00 1.00 C ATOM 841 O GLY A 56 70.845 9.364 3.845 1.00 1.00 O ATOM 0 H GLY A 56 73.390 12.574 2.705 1.00 1.00 H new ATOM 0 HA2 GLY A 56 70.614 11.956 3.333 1.00 1.00 H new ATOM 0 HA3 GLY A 56 71.569 11.333 2.003 1.00 1.00 H new ATOM 845 N MET A 57 72.877 9.949 4.424 1.00 1.00 N ATOM 846 CA MET A 57 73.069 8.661 5.153 1.00 1.00 C ATOM 847 C MET A 57 72.454 8.773 6.551 1.00 1.00 C ATOM 848 O MET A 57 73.058 9.298 7.466 1.00 1.00 O ATOM 849 CB MET A 57 74.567 8.333 5.266 1.00 1.00 C ATOM 850 CG MET A 57 75.374 9.332 4.434 1.00 1.00 C ATOM 851 SD MET A 57 77.127 8.883 4.486 1.00 1.00 S ATOM 852 CE MET A 57 77.594 9.609 2.896 1.00 1.00 C ATOM 0 H MET A 57 73.672 10.587 4.445 1.00 1.00 H new ATOM 0 HA MET A 57 72.577 7.860 4.601 1.00 1.00 H new ATOM 0 HB2 MET A 57 74.881 8.375 6.309 1.00 1.00 H new ATOM 0 HB3 MET A 57 74.755 7.318 4.917 1.00 1.00 H new ATOM 0 HG2 MET A 57 75.019 9.334 3.404 1.00 1.00 H new ATOM 0 HG3 MET A 57 75.234 10.341 4.822 1.00 1.00 H new ATOM 0 HE1 MET A 57 77.732 8.816 2.161 1.00 1.00 H new ATOM 0 HE2 MET A 57 76.807 10.284 2.559 1.00 1.00 H new ATOM 0 HE3 MET A 57 78.525 10.165 3.009 1.00 1.00 H new ATOM 862 N GLU A 58 71.257 8.283 6.722 1.00 1.00 N ATOM 863 CA GLU A 58 70.603 8.359 8.059 1.00 1.00 C ATOM 864 C GLU A 58 69.319 7.529 8.045 1.00 1.00 C ATOM 865 O GLU A 58 68.906 6.989 9.052 1.00 1.00 O ATOM 866 CB GLU A 58 70.263 9.816 8.379 1.00 1.00 C ATOM 867 CG GLU A 58 69.942 9.950 9.869 1.00 1.00 C ATOM 868 CD GLU A 58 71.224 9.776 10.685 1.00 1.00 C ATOM 869 OE1 GLU A 58 72.197 10.443 10.373 1.00 1.00 O ATOM 870 OE2 GLU A 58 71.211 8.979 11.609 1.00 1.00 O ATOM 0 HA GLU A 58 71.281 7.969 8.818 1.00 1.00 H new ATOM 0 HB2 GLU A 58 71.101 10.462 8.117 1.00 1.00 H new ATOM 0 HB3 GLU A 58 69.411 10.141 7.782 1.00 1.00 H new ATOM 0 HG2 GLU A 58 69.500 10.926 10.070 1.00 1.00 H new ATOM 0 HG3 GLU A 58 69.207 9.200 10.162 1.00 1.00 H new ATOM 877 N GLY A 59 68.685 7.421 6.910 1.00 1.00 N ATOM 878 CA GLY A 59 67.429 6.624 6.832 1.00 1.00 C ATOM 879 C GLY A 59 67.773 5.134 6.830 1.00 1.00 C ATOM 880 O GLY A 59 67.071 4.325 6.258 1.00 1.00 O ATOM 0 HA2 GLY A 59 66.783 6.858 7.678 1.00 1.00 H new ATOM 0 HA3 GLY A 59 66.877 6.882 5.928 1.00 1.00 H new ATOM 884 N CYS A 60 68.853 4.766 7.464 1.00 1.00 N ATOM 885 CA CYS A 60 69.244 3.329 7.498 1.00 1.00 C ATOM 886 C CYS A 60 68.126 2.512 8.149 1.00 1.00 C ATOM 887 O CYS A 60 67.937 2.547 9.349 1.00 1.00 O ATOM 888 CB CYS A 60 70.538 3.169 8.306 1.00 1.00 C ATOM 889 SG CYS A 60 71.402 4.758 8.383 1.00 1.00 S ATOM 0 HA CYS A 60 69.408 2.972 6.481 1.00 1.00 H new ATOM 0 HB2 CYS A 60 70.310 2.818 9.312 1.00 1.00 H new ATOM 0 HB3 CYS A 60 71.178 2.417 7.843 1.00 1.00 H new ATOM 894 N GLY A 61 67.382 1.778 7.368 1.00 1.00 N ATOM 895 CA GLY A 61 66.276 0.961 7.942 1.00 1.00 C ATOM 896 C GLY A 61 65.246 0.662 6.852 1.00 1.00 C ATOM 897 O GLY A 61 64.179 0.146 7.118 1.00 1.00 O ATOM 0 H GLY A 61 67.492 1.709 6.356 1.00 1.00 H new ATOM 0 HA2 GLY A 61 66.671 0.030 8.350 1.00 1.00 H new ATOM 0 HA3 GLY A 61 65.804 1.496 8.766 1.00 1.00 H new ATOM 901 N THR A 62 65.560 0.985 5.624 1.00 1.00 N ATOM 902 CA THR A 62 64.606 0.725 4.506 1.00 1.00 C ATOM 903 C THR A 62 65.286 -0.152 3.454 1.00 1.00 C ATOM 904 O THR A 62 65.718 0.323 2.423 1.00 1.00 O ATOM 905 CB THR A 62 64.191 2.055 3.871 1.00 1.00 C ATOM 906 OG1 THR A 62 65.352 2.770 3.474 1.00 1.00 O ATOM 907 CG2 THR A 62 63.401 2.883 4.886 1.00 1.00 C ATOM 0 H THR A 62 66.440 1.420 5.347 1.00 1.00 H new ATOM 0 HA THR A 62 63.723 0.215 4.890 1.00 1.00 H new ATOM 0 HB THR A 62 63.566 1.863 2.999 1.00 1.00 H new ATOM 0 HG1 THR A 62 65.236 3.099 2.558 1.00 1.00 H new ATOM 0 HG21 THR A 62 63.106 3.829 4.433 1.00 1.00 H new ATOM 0 HG22 THR A 62 62.510 2.333 5.190 1.00 1.00 H new ATOM 0 HG23 THR A 62 64.023 3.077 5.760 1.00 1.00 H new ATOM 915 N ASP A 63 65.386 -1.429 3.711 1.00 1.00 N ATOM 916 CA ASP A 63 66.038 -2.348 2.734 1.00 1.00 C ATOM 917 C ASP A 63 65.216 -2.399 1.441 1.00 1.00 C ATOM 918 O ASP A 63 64.946 -3.458 0.912 1.00 1.00 O ATOM 919 CB ASP A 63 66.117 -3.752 3.337 1.00 1.00 C ATOM 920 CG ASP A 63 66.782 -3.680 4.713 1.00 1.00 C ATOM 921 OD1 ASP A 63 66.098 -3.333 5.662 1.00 1.00 O ATOM 922 OD2 ASP A 63 67.963 -3.974 4.794 1.00 1.00 O ATOM 0 H ASP A 63 65.042 -1.877 4.560 1.00 1.00 H new ATOM 0 HA ASP A 63 67.041 -1.984 2.510 1.00 1.00 H new ATOM 0 HB2 ASP A 63 65.118 -4.178 3.426 1.00 1.00 H new ATOM 0 HB3 ASP A 63 66.686 -4.410 2.680 1.00 1.00 H new ATOM 927 N ILE A 64 64.816 -1.267 0.925 1.00 1.00 N ATOM 928 CA ILE A 64 64.013 -1.254 -0.333 1.00 1.00 C ATOM 929 C ILE A 64 64.296 0.042 -1.100 1.00 1.00 C ATOM 930 O ILE A 64 63.939 0.182 -2.253 1.00 1.00 O ATOM 931 CB ILE A 64 62.516 -1.321 0.004 1.00 1.00 C ATOM 932 CG1 ILE A 64 62.184 -2.703 0.570 1.00 1.00 C ATOM 933 CG2 ILE A 64 61.695 -1.080 -1.264 1.00 1.00 C ATOM 934 CD1 ILE A 64 60.705 -2.755 0.957 1.00 1.00 C ATOM 0 H ILE A 64 65.011 -0.348 1.322 1.00 1.00 H new ATOM 0 HA ILE A 64 64.286 -2.115 -0.943 1.00 1.00 H new ATOM 0 HB ILE A 64 62.275 -0.556 0.743 1.00 1.00 H new ATOM 0 HG12 ILE A 64 62.404 -3.473 -0.169 1.00 1.00 H new ATOM 0 HG13 ILE A 64 62.806 -2.910 1.441 1.00 1.00 H new ATOM 0 HG21 ILE A 64 60.633 -1.128 -1.024 1.00 1.00 H new ATOM 0 HG22 ILE A 64 61.932 -0.096 -1.669 1.00 1.00 H new ATOM 0 HG23 ILE A 64 61.935 -1.844 -2.003 1.00 1.00 H new ATOM 0 HD11 ILE A 64 60.469 -3.740 1.360 1.00 1.00 H new ATOM 0 HD12 ILE A 64 60.499 -1.995 1.711 1.00 1.00 H new ATOM 0 HD13 ILE A 64 60.092 -2.567 0.076 1.00 1.00 H new ATOM 946 N THR A 65 64.935 0.990 -0.466 1.00 1.00 N ATOM 947 CA THR A 65 65.244 2.283 -1.149 1.00 1.00 C ATOM 948 C THR A 65 66.726 2.606 -0.963 1.00 1.00 C ATOM 949 O THR A 65 67.586 1.864 -1.395 1.00 1.00 O ATOM 950 CB THR A 65 64.397 3.400 -0.532 1.00 1.00 C ATOM 951 OG1 THR A 65 64.694 3.507 0.853 1.00 1.00 O ATOM 952 CG2 THR A 65 62.913 3.078 -0.714 1.00 1.00 C ATOM 0 H THR A 65 65.258 0.925 0.499 1.00 1.00 H new ATOM 0 HA THR A 65 65.017 2.201 -2.212 1.00 1.00 H new ATOM 0 HB THR A 65 64.624 4.344 -1.027 1.00 1.00 H new ATOM 0 HG1 THR A 65 64.154 4.222 1.249 1.00 1.00 H new ATOM 0 HG21 THR A 65 62.311 3.874 -0.274 1.00 1.00 H new ATOM 0 HG22 THR A 65 62.686 2.997 -1.777 1.00 1.00 H new ATOM 0 HG23 THR A 65 62.682 2.134 -0.220 1.00 1.00 H new ATOM 960 N VAL A 66 67.037 3.699 -0.315 1.00 1.00 N ATOM 961 CA VAL A 66 68.471 4.046 -0.098 1.00 1.00 C ATOM 962 C VAL A 66 69.201 2.792 0.375 1.00 1.00 C ATOM 963 O VAL A 66 70.399 2.656 0.223 1.00 1.00 O ATOM 964 CB VAL A 66 68.580 5.147 0.961 1.00 1.00 C ATOM 965 CG1 VAL A 66 69.886 5.918 0.764 1.00 1.00 C ATOM 966 CG2 VAL A 66 67.397 6.107 0.820 1.00 1.00 C ATOM 0 H VAL A 66 66.364 4.362 0.071 1.00 1.00 H new ATOM 0 HA VAL A 66 68.917 4.409 -1.024 1.00 1.00 H new ATOM 0 HB VAL A 66 68.570 4.698 1.954 1.00 1.00 H new ATOM 0 HG11 VAL A 66 69.963 6.702 1.518 1.00 1.00 H new ATOM 0 HG12 VAL A 66 70.730 5.235 0.862 1.00 1.00 H new ATOM 0 HG13 VAL A 66 69.897 6.368 -0.229 1.00 1.00 H new ATOM 0 HG21 VAL A 66 67.473 6.891 1.573 1.00 1.00 H new ATOM 0 HG22 VAL A 66 67.409 6.555 -0.173 1.00 1.00 H new ATOM 0 HG23 VAL A 66 66.465 5.559 0.960 1.00 1.00 H new ATOM 976 N ILE A 67 68.466 1.865 0.925 1.00 1.00 N ATOM 977 CA ILE A 67 69.071 0.590 1.393 1.00 1.00 C ATOM 978 C ILE A 67 68.328 -0.558 0.712 1.00 1.00 C ATOM 979 O ILE A 67 67.124 -0.668 0.806 1.00 1.00 O ATOM 980 CB ILE A 67 68.928 0.469 2.915 1.00 1.00 C ATOM 981 CG1 ILE A 67 69.478 1.733 3.580 1.00 1.00 C ATOM 982 CG2 ILE A 67 69.714 -0.747 3.407 1.00 1.00 C ATOM 983 CD1 ILE A 67 68.333 2.715 3.836 1.00 1.00 C ATOM 0 H ILE A 67 67.459 1.940 1.071 1.00 1.00 H new ATOM 0 HA ILE A 67 70.132 0.561 1.144 1.00 1.00 H new ATOM 0 HB ILE A 67 67.876 0.350 3.172 1.00 1.00 H new ATOM 0 HG12 ILE A 67 69.969 1.478 4.519 1.00 1.00 H new ATOM 0 HG13 ILE A 67 70.231 2.195 2.941 1.00 1.00 H new ATOM 0 HG21 ILE A 67 69.612 -0.833 4.489 1.00 1.00 H new ATOM 0 HG22 ILE A 67 69.324 -1.648 2.933 1.00 1.00 H new ATOM 0 HG23 ILE A 67 70.767 -0.628 3.150 1.00 1.00 H new ATOM 0 HD11 ILE A 67 68.725 3.615 4.310 1.00 1.00 H new ATOM 0 HD12 ILE A 67 67.861 2.979 2.889 1.00 1.00 H new ATOM 0 HD13 ILE A 67 67.596 2.251 4.492 1.00 1.00 H new ATOM 995 N CYS A 68 69.033 -1.399 0.009 1.00 1.00 N ATOM 996 CA CYS A 68 68.371 -2.535 -0.697 1.00 1.00 C ATOM 997 C CYS A 68 68.986 -3.855 -0.218 1.00 1.00 C ATOM 998 O CYS A 68 70.083 -3.879 0.304 1.00 1.00 O ATOM 999 CB CYS A 68 68.577 -2.384 -2.210 1.00 1.00 C ATOM 1000 SG CYS A 68 68.914 -0.650 -2.605 1.00 1.00 S ATOM 0 H CYS A 68 70.045 -1.349 -0.109 1.00 1.00 H new ATOM 0 HA CYS A 68 67.303 -2.533 -0.478 1.00 1.00 H new ATOM 0 HB2 CYS A 68 69.406 -3.010 -2.539 1.00 1.00 H new ATOM 0 HB3 CYS A 68 67.690 -2.724 -2.744 1.00 1.00 H new ATOM 1005 N PRO A 69 68.285 -4.953 -0.384 1.00 1.00 N ATOM 1006 CA PRO A 69 68.770 -6.291 0.045 1.00 1.00 C ATOM 1007 C PRO A 69 70.276 -6.464 -0.177 1.00 1.00 C ATOM 1008 O PRO A 69 70.926 -7.237 0.500 1.00 1.00 O ATOM 1009 CB PRO A 69 67.968 -7.281 -0.822 1.00 1.00 C ATOM 1010 CG PRO A 69 66.959 -6.473 -1.583 1.00 1.00 C ATOM 1011 CD PRO A 69 66.963 -5.053 -1.007 1.00 1.00 C ATOM 0 HA PRO A 69 68.624 -6.446 1.114 1.00 1.00 H new ATOM 0 HB2 PRO A 69 68.627 -7.819 -1.504 1.00 1.00 H new ATOM 0 HB3 PRO A 69 67.475 -8.028 -0.200 1.00 1.00 H new ATOM 0 HG2 PRO A 69 67.206 -6.455 -2.644 1.00 1.00 H new ATOM 0 HG3 PRO A 69 65.968 -6.918 -1.494 1.00 1.00 H new ATOM 0 HD2 PRO A 69 66.826 -4.302 -1.785 1.00 1.00 H new ATOM 0 HD3 PRO A 69 66.163 -4.910 -0.281 1.00 1.00 H new ATOM 1019 N TRP A 70 70.839 -5.749 -1.112 1.00 1.00 N ATOM 1020 CA TRP A 70 72.303 -5.877 -1.359 1.00 1.00 C ATOM 1021 C TRP A 70 73.060 -5.221 -0.200 1.00 1.00 C ATOM 1022 O TRP A 70 74.221 -4.881 -0.316 1.00 1.00 O ATOM 1023 CB TRP A 70 72.664 -5.184 -2.683 1.00 1.00 C ATOM 1024 CG TRP A 70 72.924 -6.218 -3.731 1.00 1.00 C ATOM 1025 CD1 TRP A 70 74.068 -6.331 -4.444 1.00 1.00 C ATOM 1026 CD2 TRP A 70 72.044 -7.284 -4.196 1.00 1.00 C ATOM 1027 NE1 TRP A 70 73.948 -7.397 -5.316 1.00 1.00 N ATOM 1028 CE2 TRP A 70 72.720 -8.017 -5.202 1.00 1.00 C ATOM 1029 CE3 TRP A 70 70.742 -7.682 -3.847 1.00 1.00 C ATOM 1030 CZ2 TRP A 70 72.121 -9.107 -5.839 1.00 1.00 C ATOM 1031 CZ3 TRP A 70 70.138 -8.775 -4.485 1.00 1.00 C ATOM 1032 CH2 TRP A 70 70.824 -9.487 -5.478 1.00 1.00 C ATOM 0 H TRP A 70 70.351 -5.085 -1.713 1.00 1.00 H new ATOM 0 HA TRP A 70 72.579 -6.929 -1.426 1.00 1.00 H new ATOM 0 HB2 TRP A 70 71.851 -4.529 -2.997 1.00 1.00 H new ATOM 0 HB3 TRP A 70 73.545 -4.557 -2.549 1.00 1.00 H new ATOM 0 HD1 TRP A 70 74.934 -5.693 -4.348 1.00 1.00 H new ATOM 0 HE1 TRP A 70 74.678 -7.690 -5.965 1.00 1.00 H new ATOM 0 HE3 TRP A 70 70.203 -7.142 -3.082 1.00 1.00 H new ATOM 0 HZ2 TRP A 70 72.655 -9.652 -6.604 1.00 1.00 H new ATOM 0 HZ3 TRP A 70 69.136 -9.070 -4.209 1.00 1.00 H new ATOM 0 HH2 TRP A 70 70.352 -10.328 -5.964 1.00 1.00 H new ATOM 1043 N GLU A 71 72.406 -5.045 0.918 1.00 1.00 N ATOM 1044 CA GLU A 71 73.073 -4.415 2.095 1.00 1.00 C ATOM 1045 C GLU A 71 72.790 -5.253 3.344 1.00 1.00 C ATOM 1046 O GLU A 71 73.290 -4.977 4.416 1.00 1.00 O ATOM 1047 CB GLU A 71 72.518 -3.000 2.298 1.00 1.00 C ATOM 1048 CG GLU A 71 73.115 -2.056 1.252 1.00 1.00 C ATOM 1049 CD GLU A 71 73.386 -0.692 1.890 1.00 1.00 C ATOM 1050 OE1 GLU A 71 74.453 -0.528 2.458 1.00 1.00 O ATOM 1051 OE2 GLU A 71 72.522 0.164 1.799 1.00 1.00 O ATOM 0 H GLU A 71 71.433 -5.312 1.067 1.00 1.00 H new ATOM 0 HA GLU A 71 74.148 -4.364 1.922 1.00 1.00 H new ATOM 0 HB2 GLU A 71 71.431 -3.010 2.215 1.00 1.00 H new ATOM 0 HB3 GLU A 71 72.758 -2.646 3.301 1.00 1.00 H new ATOM 0 HG2 GLU A 71 74.040 -2.474 0.856 1.00 1.00 H new ATOM 0 HG3 GLU A 71 72.429 -1.946 0.412 1.00 1.00 H new ATOM 1058 N ALA A 72 71.989 -6.275 3.213 1.00 1.00 N ATOM 1059 CA ALA A 72 71.672 -7.130 4.392 1.00 1.00 C ATOM 1060 C ALA A 72 72.918 -7.914 4.814 1.00 1.00 C ATOM 1061 O ALA A 72 72.832 -8.882 5.544 1.00 1.00 O ATOM 1062 CB ALA A 72 70.557 -8.111 4.025 1.00 1.00 C ATOM 0 H ALA A 72 71.540 -6.555 2.341 1.00 1.00 H new ATOM 0 HA ALA A 72 71.347 -6.497 5.217 1.00 1.00 H new ATOM 0 HB1 ALA A 72 70.325 -8.737 4.887 1.00 1.00 H new ATOM 0 HB2 ALA A 72 69.667 -7.556 3.729 1.00 1.00 H new ATOM 0 HB3 ALA A 72 70.884 -8.740 3.197 1.00 1.00 H new ATOM 1068 N CYS A 73 74.075 -7.510 4.363 1.00 1.00 N ATOM 1069 CA CYS A 73 75.316 -8.242 4.747 1.00 1.00 C ATOM 1070 C CYS A 73 75.566 -8.067 6.247 1.00 1.00 C ATOM 1071 O CYS A 73 75.914 -9.001 6.941 1.00 1.00 O ATOM 1072 CB CYS A 73 76.512 -7.689 3.960 1.00 1.00 C ATOM 1073 SG CYS A 73 75.923 -6.536 2.695 1.00 1.00 S ATOM 0 H CYS A 73 74.214 -6.708 3.748 1.00 1.00 H new ATOM 0 HA CYS A 73 75.195 -9.301 4.517 1.00 1.00 H new ATOM 0 HB2 CYS A 73 77.202 -7.183 4.635 1.00 1.00 H new ATOM 0 HB3 CYS A 73 77.063 -8.506 3.494 1.00 1.00 H new ATOM 1078 N ASN A 74 75.397 -6.874 6.752 1.00 1.00 N ATOM 1079 CA ASN A 74 75.631 -6.639 8.205 1.00 1.00 C ATOM 1080 C ASN A 74 77.055 -7.078 8.564 1.00 1.00 C ATOM 1081 O ASN A 74 77.303 -7.623 9.622 1.00 1.00 O ATOM 1082 CB ASN A 74 74.608 -7.443 9.026 1.00 1.00 C ATOM 1083 CG ASN A 74 73.481 -6.516 9.484 1.00 1.00 C ATOM 1084 OD1 ASN A 74 72.899 -5.807 8.686 1.00 1.00 O ATOM 1085 ND2 ASN A 74 73.145 -6.490 10.744 1.00 1.00 N ATOM 0 H ASN A 74 75.107 -6.053 6.221 1.00 1.00 H new ATOM 0 HA ASN A 74 75.514 -5.579 8.432 1.00 1.00 H new ATOM 0 HB2 ASN A 74 74.202 -8.257 8.425 1.00 1.00 H new ATOM 0 HB3 ASN A 74 75.094 -7.896 9.890 1.00 1.00 H new ATOM 0 HD21 ASN A 74 72.395 -5.875 11.059 1.00 1.00 H new ATOM 0 HD22 ASN A 74 73.633 -7.084 11.414 1.00 1.00 H new ATOM 1092 N HIS A 75 77.997 -6.843 7.691 1.00 1.00 N ATOM 1093 CA HIS A 75 79.401 -7.246 7.986 1.00 1.00 C ATOM 1094 C HIS A 75 80.363 -6.422 7.129 1.00 1.00 C ATOM 1095 O HIS A 75 80.051 -6.038 6.019 1.00 1.00 O ATOM 1096 CB HIS A 75 79.583 -8.732 7.668 1.00 1.00 C ATOM 1097 CG HIS A 75 80.971 -9.161 8.055 1.00 1.00 C ATOM 1098 ND1 HIS A 75 81.788 -8.382 8.862 1.00 1.00 N ATOM 1099 CD2 HIS A 75 81.702 -10.286 7.756 1.00 1.00 C ATOM 1100 CE1 HIS A 75 82.951 -9.039 9.019 1.00 1.00 C ATOM 1101 NE2 HIS A 75 82.949 -10.203 8.366 1.00 1.00 N ATOM 0 H HIS A 75 77.855 -6.390 6.788 1.00 1.00 H new ATOM 0 HA HIS A 75 79.613 -7.070 9.041 1.00 1.00 H new ATOM 0 HB2 HIS A 75 78.844 -9.324 8.208 1.00 1.00 H new ATOM 0 HB3 HIS A 75 79.419 -8.910 6.605 1.00 1.00 H new ATOM 0 HD2 HIS A 75 81.361 -11.107 7.143 1.00 1.00 H new ATOM 0 HE1 HIS A 75 83.783 -8.671 9.601 1.00 1.00 H new ATOM 0 HE2 HIS A 75 83.704 -10.888 8.323 1.00 1.00 H new ATOM 1110 N CYS A 76 81.534 -6.151 7.637 1.00 1.00 N ATOM 1111 CA CYS A 76 82.524 -5.355 6.858 1.00 1.00 C ATOM 1112 C CYS A 76 83.369 -6.297 5.998 1.00 1.00 C ATOM 1113 O CYS A 76 84.564 -6.416 6.179 1.00 1.00 O ATOM 1114 CB CYS A 76 83.433 -4.592 7.825 1.00 1.00 C ATOM 1115 SG CYS A 76 82.418 -3.677 9.012 1.00 1.00 S ATOM 0 H CYS A 76 81.849 -6.448 8.561 1.00 1.00 H new ATOM 0 HA CYS A 76 82.001 -4.648 6.215 1.00 1.00 H new ATOM 0 HB2 CYS A 76 84.088 -5.287 8.350 1.00 1.00 H new ATOM 0 HB3 CYS A 76 84.074 -3.905 7.273 1.00 1.00 H new ATOM 1120 N GLU A 77 82.754 -6.969 5.062 1.00 1.00 N ATOM 1121 CA GLU A 77 83.520 -7.905 4.191 1.00 1.00 C ATOM 1122 C GLU A 77 84.395 -7.104 3.226 1.00 1.00 C ATOM 1123 O GLU A 77 84.323 -5.893 3.166 1.00 1.00 O ATOM 1124 CB GLU A 77 82.544 -8.771 3.391 1.00 1.00 C ATOM 1125 CG GLU A 77 81.459 -9.314 4.323 1.00 1.00 C ATOM 1126 CD GLU A 77 80.643 -10.380 3.590 1.00 1.00 C ATOM 1127 OE1 GLU A 77 81.215 -11.399 3.239 1.00 1.00 O ATOM 1128 OE2 GLU A 77 79.459 -10.160 3.392 1.00 1.00 O ATOM 0 H GLU A 77 81.755 -6.910 4.863 1.00 1.00 H new ATOM 0 HA GLU A 77 84.151 -8.543 4.811 1.00 1.00 H new ATOM 0 HB2 GLU A 77 82.091 -8.184 2.592 1.00 1.00 H new ATOM 0 HB3 GLU A 77 83.077 -9.595 2.918 1.00 1.00 H new ATOM 0 HG2 GLU A 77 81.913 -9.740 5.218 1.00 1.00 H new ATOM 0 HG3 GLU A 77 80.808 -8.504 4.651 1.00 1.00 H new ATOM 1135 N LEU A 78 85.219 -7.773 2.466 1.00 1.00 N ATOM 1136 CA LEU A 78 86.095 -7.052 1.502 1.00 1.00 C ATOM 1137 C LEU A 78 86.664 -8.045 0.483 1.00 1.00 C ATOM 1138 O LEU A 78 87.601 -7.752 -0.234 1.00 1.00 O ATOM 1139 CB LEU A 78 87.226 -6.322 2.256 1.00 1.00 C ATOM 1140 CG LEU A 78 88.190 -7.337 2.873 1.00 1.00 C ATOM 1141 CD1 LEU A 78 87.399 -8.525 3.423 1.00 1.00 C ATOM 1142 CD2 LEU A 78 89.167 -7.827 1.802 1.00 1.00 C ATOM 0 H LEU A 78 85.323 -8.788 2.472 1.00 1.00 H new ATOM 0 HA LEU A 78 85.510 -6.304 0.967 1.00 1.00 H new ATOM 0 HB2 LEU A 78 87.765 -5.667 1.572 1.00 1.00 H new ATOM 0 HB3 LEU A 78 86.803 -5.690 3.037 1.00 1.00 H new ATOM 0 HG LEU A 78 88.745 -6.865 3.684 1.00 1.00 H new ATOM 0 HD11 LEU A 78 88.086 -9.248 3.862 1.00 1.00 H new ATOM 0 HD12 LEU A 78 86.702 -8.177 4.186 1.00 1.00 H new ATOM 0 HD13 LEU A 78 86.844 -8.998 2.613 1.00 1.00 H new ATOM 0 HD21 LEU A 78 89.855 -8.550 2.240 1.00 1.00 H new ATOM 0 HD22 LEU A 78 88.612 -8.299 0.992 1.00 1.00 H new ATOM 0 HD23 LEU A 78 89.732 -6.981 1.410 1.00 1.00 H new ATOM 1154 N HIS A 79 86.086 -9.218 0.404 1.00 1.00 N ATOM 1155 CA HIS A 79 86.570 -10.237 -0.576 1.00 1.00 C ATOM 1156 C HIS A 79 85.377 -11.046 -1.091 1.00 1.00 C ATOM 1157 O HIS A 79 85.241 -11.287 -2.275 1.00 1.00 O ATOM 1158 CB HIS A 79 87.560 -11.186 0.107 1.00 1.00 C ATOM 1159 CG HIS A 79 88.088 -12.168 -0.902 1.00 1.00 C ATOM 1160 ND1 HIS A 79 88.997 -11.803 -1.884 1.00 1.00 N ATOM 1161 CD2 HIS A 79 87.844 -13.507 -1.095 1.00 1.00 C ATOM 1162 CE1 HIS A 79 89.266 -12.898 -2.617 1.00 1.00 C ATOM 1163 NE2 HIS A 79 88.590 -13.961 -2.178 1.00 1.00 N ATOM 0 H HIS A 79 85.297 -9.514 0.979 1.00 1.00 H new ATOM 0 HA HIS A 79 87.065 -9.732 -1.405 1.00 1.00 H new ATOM 0 HB2 HIS A 79 88.382 -10.619 0.544 1.00 1.00 H new ATOM 0 HB3 HIS A 79 87.069 -11.715 0.924 1.00 1.00 H new ATOM 0 HD2 HIS A 79 87.177 -14.112 -0.499 1.00 1.00 H new ATOM 0 HE1 HIS A 79 89.945 -12.915 -3.457 1.00 1.00 H new ATOM 0 HE2 HIS A 79 88.615 -14.908 -2.557 1.00 1.00 H new ATOM 1172 N GLU A 80 84.512 -11.469 -0.209 1.00 1.00 N ATOM 1173 CA GLU A 80 83.329 -12.266 -0.642 1.00 1.00 C ATOM 1174 C GLU A 80 82.534 -11.482 -1.686 1.00 1.00 C ATOM 1175 O GLU A 80 82.173 -12.001 -2.724 1.00 1.00 O ATOM 1176 CB GLU A 80 82.434 -12.544 0.568 1.00 1.00 C ATOM 1177 CG GLU A 80 81.298 -13.483 0.159 1.00 1.00 C ATOM 1178 CD GLU A 80 80.606 -14.024 1.411 1.00 1.00 C ATOM 1179 OE1 GLU A 80 81.170 -14.903 2.043 1.00 1.00 O ATOM 1180 OE2 GLU A 80 79.524 -13.551 1.718 1.00 1.00 O ATOM 0 H GLU A 80 84.574 -11.297 0.794 1.00 1.00 H new ATOM 0 HA GLU A 80 83.667 -13.207 -1.075 1.00 1.00 H new ATOM 0 HB2 GLU A 80 83.019 -12.992 1.371 1.00 1.00 H new ATOM 0 HB3 GLU A 80 82.026 -11.610 0.954 1.00 1.00 H new ATOM 0 HG2 GLU A 80 80.580 -12.951 -0.465 1.00 1.00 H new ATOM 0 HG3 GLU A 80 81.690 -14.307 -0.437 1.00 1.00 H new ATOM 1187 N LEU A 81 82.256 -10.237 -1.419 1.00 1.00 N ATOM 1188 CA LEU A 81 81.480 -9.422 -2.395 1.00 1.00 C ATOM 1189 C LEU A 81 82.350 -9.134 -3.619 1.00 1.00 C ATOM 1190 O LEU A 81 81.855 -8.872 -4.696 1.00 1.00 O ATOM 1191 CB LEU A 81 81.062 -8.101 -1.742 1.00 1.00 C ATOM 1192 CG LEU A 81 79.890 -8.346 -0.790 1.00 1.00 C ATOM 1193 CD1 LEU A 81 78.654 -8.751 -1.595 1.00 1.00 C ATOM 1194 CD2 LEU A 81 80.253 -9.469 0.184 1.00 1.00 C ATOM 0 H LEU A 81 82.532 -9.748 -0.567 1.00 1.00 H new ATOM 0 HA LEU A 81 80.590 -9.971 -2.701 1.00 1.00 H new ATOM 0 HB2 LEU A 81 81.902 -7.671 -1.197 1.00 1.00 H new ATOM 0 HB3 LEU A 81 80.777 -7.380 -2.508 1.00 1.00 H new ATOM 0 HG LEU A 81 79.677 -7.434 -0.233 1.00 1.00 H new ATOM 0 HD11 LEU A 81 77.819 -8.926 -0.916 1.00 1.00 H new ATOM 0 HD12 LEU A 81 78.395 -7.953 -2.291 1.00 1.00 H new ATOM 0 HD13 LEU A 81 78.866 -9.664 -2.152 1.00 1.00 H new ATOM 0 HD21 LEU A 81 79.419 -9.645 0.863 1.00 1.00 H new ATOM 0 HD22 LEU A 81 80.465 -10.381 -0.375 1.00 1.00 H new ATOM 0 HD23 LEU A 81 81.134 -9.182 0.758 1.00 1.00 H new ATOM 1206 N ALA A 82 83.645 -9.180 -3.462 1.00 1.00 N ATOM 1207 CA ALA A 82 84.545 -8.910 -4.618 1.00 1.00 C ATOM 1208 C ALA A 82 84.424 -10.041 -5.643 1.00 1.00 C ATOM 1209 O ALA A 82 85.331 -10.292 -6.410 1.00 1.00 O ATOM 1210 CB ALA A 82 85.992 -8.820 -4.129 1.00 1.00 C ATOM 0 H ALA A 82 84.118 -9.393 -2.584 1.00 1.00 H new ATOM 0 HA ALA A 82 84.258 -7.968 -5.084 1.00 1.00 H new ATOM 0 HB1 ALA A 82 86.650 -8.622 -4.975 1.00 1.00 H new ATOM 0 HB2 ALA A 82 86.081 -8.012 -3.403 1.00 1.00 H new ATOM 0 HB3 ALA A 82 86.277 -9.762 -3.660 1.00 1.00 H new ATOM 1216 N GLN A 83 83.311 -10.724 -5.668 1.00 1.00 N ATOM 1217 CA GLN A 83 83.145 -11.830 -6.651 1.00 1.00 C ATOM 1218 C GLN A 83 82.832 -11.236 -8.029 1.00 1.00 C ATOM 1219 O GLN A 83 83.363 -11.664 -9.033 1.00 1.00 O ATOM 1220 CB GLN A 83 81.994 -12.746 -6.205 1.00 1.00 C ATOM 1221 CG GLN A 83 82.566 -14.018 -5.575 1.00 1.00 C ATOM 1222 CD GLN A 83 83.408 -13.648 -4.352 1.00 1.00 C ATOM 1223 OE1 GLN A 83 84.028 -12.604 -4.320 1.00 1.00 O ATOM 1224 NE2 GLN A 83 83.456 -14.467 -3.337 1.00 1.00 N ATOM 0 H GLN A 83 82.513 -10.564 -5.053 1.00 1.00 H new ATOM 0 HA GLN A 83 84.064 -12.414 -6.707 1.00 1.00 H new ATOM 0 HB2 GLN A 83 81.359 -12.226 -5.487 1.00 1.00 H new ATOM 0 HB3 GLN A 83 81.367 -13.001 -7.059 1.00 1.00 H new ATOM 0 HG2 GLN A 83 81.757 -14.688 -5.284 1.00 1.00 H new ATOM 0 HG3 GLN A 83 83.177 -14.554 -6.302 1.00 1.00 H new ATOM 0 HE21 GLN A 83 82.935 -15.344 -3.364 1.00 1.00 H new ATOM 0 HE22 GLN A 83 84.014 -14.230 -2.517 1.00 1.00 H new ATOM 1233 N TYR A 84 81.975 -10.251 -8.087 1.00 1.00 N ATOM 1234 CA TYR A 84 81.636 -9.637 -9.403 1.00 1.00 C ATOM 1235 C TYR A 84 80.858 -8.338 -9.176 1.00 1.00 C ATOM 1236 O TYR A 84 79.995 -7.977 -9.951 1.00 1.00 O ATOM 1237 CB TYR A 84 80.789 -10.618 -10.226 1.00 1.00 C ATOM 1238 CG TYR A 84 79.345 -10.529 -9.792 1.00 1.00 C ATOM 1239 CD1 TYR A 84 79.003 -10.741 -8.451 1.00 1.00 C ATOM 1240 CD2 TYR A 84 78.349 -10.235 -10.731 1.00 1.00 C ATOM 1241 CE1 TYR A 84 77.665 -10.659 -8.049 1.00 1.00 C ATOM 1242 CE2 TYR A 84 77.011 -10.152 -10.328 1.00 1.00 C ATOM 1243 CZ TYR A 84 76.669 -10.364 -8.987 1.00 1.00 C ATOM 1244 OH TYR A 84 75.349 -10.283 -8.591 1.00 1.00 O ATOM 0 H TYR A 84 81.497 -9.846 -7.282 1.00 1.00 H new ATOM 0 HA TYR A 84 82.553 -9.414 -9.948 1.00 1.00 H new ATOM 0 HB2 TYR A 84 80.875 -10.386 -11.288 1.00 1.00 H new ATOM 0 HB3 TYR A 84 81.158 -11.635 -10.091 1.00 1.00 H new ATOM 0 HD1 TYR A 84 79.772 -10.968 -7.727 1.00 1.00 H new ATOM 0 HD2 TYR A 84 78.613 -10.072 -11.766 1.00 1.00 H new ATOM 0 HE1 TYR A 84 77.401 -10.823 -7.015 1.00 1.00 H new ATOM 0 HE2 TYR A 84 76.242 -9.924 -11.052 1.00 1.00 H new ATOM 0 HH TYR A 84 74.788 -10.069 -9.365 1.00 1.00 H new ATOM 1254 N GLY A 85 81.158 -7.632 -8.120 1.00 1.00 N ATOM 1255 CA GLY A 85 80.436 -6.358 -7.848 1.00 1.00 C ATOM 1256 C GLY A 85 80.718 -5.363 -8.975 1.00 1.00 C ATOM 1257 O GLY A 85 79.834 -4.672 -9.444 1.00 1.00 O ATOM 0 H GLY A 85 81.871 -7.882 -7.435 1.00 1.00 H new ATOM 0 HA2 GLY A 85 79.365 -6.544 -7.772 1.00 1.00 H new ATOM 0 HA3 GLY A 85 80.756 -5.942 -6.893 1.00 1.00 H new ATOM 1261 N ILE A 86 81.946 -5.282 -9.413 1.00 1.00 N ATOM 1262 CA ILE A 86 82.286 -4.329 -10.509 1.00 1.00 C ATOM 1263 C ILE A 86 81.775 -2.933 -10.146 1.00 1.00 C ATOM 1264 O ILE A 86 80.674 -2.557 -10.494 1.00 1.00 O ATOM 1265 CB ILE A 86 81.627 -4.786 -11.813 1.00 1.00 C ATOM 1266 CG1 ILE A 86 82.211 -6.137 -12.232 1.00 1.00 C ATOM 1267 CG2 ILE A 86 81.895 -3.754 -12.910 1.00 1.00 C ATOM 1268 CD1 ILE A 86 81.308 -6.779 -13.287 1.00 1.00 C ATOM 0 H ILE A 86 82.728 -5.834 -9.060 1.00 1.00 H new ATOM 0 HA ILE A 86 83.368 -4.302 -10.640 1.00 1.00 H new ATOM 0 HB ILE A 86 80.552 -4.884 -11.662 1.00 1.00 H new ATOM 0 HG12 ILE A 86 83.216 -6.002 -12.632 1.00 1.00 H new ATOM 0 HG13 ILE A 86 82.298 -6.792 -11.365 1.00 1.00 H new ATOM 0 HG21 ILE A 86 81.426 -4.080 -13.838 1.00 1.00 H new ATOM 0 HG22 ILE A 86 81.481 -2.791 -12.612 1.00 1.00 H new ATOM 0 HG23 ILE A 86 82.970 -3.655 -13.062 1.00 1.00 H new ATOM 0 HD11 ILE A 86 81.724 -7.741 -13.585 1.00 1.00 H new ATOM 0 HD12 ILE A 86 80.312 -6.928 -12.871 1.00 1.00 H new ATOM 0 HD13 ILE A 86 81.244 -6.126 -14.157 1.00 1.00 H new ATOM 1280 N CYS A 87 82.564 -2.161 -9.451 1.00 1.00 N ATOM 1281 CA CYS A 87 82.115 -0.791 -9.071 1.00 1.00 C ATOM 1282 C CYS A 87 82.203 0.128 -10.292 1.00 1.00 C ATOM 1283 CB CYS A 87 83.014 -0.250 -7.954 1.00 1.00 C ATOM 1284 SG CYS A 87 82.293 -0.660 -6.345 1.00 1.00 S ATOM 0 H CYS A 87 83.498 -2.418 -9.130 1.00 1.00 H new ATOM 0 HA CYS A 87 81.084 -0.829 -8.718 1.00 1.00 H new ATOM 0 HB2 CYS A 87 84.013 -0.679 -8.037 1.00 1.00 H new ATOM 0 HB3 CYS A 87 83.122 0.830 -8.051 1.00 1.00 H new TER 1289 CYS A 87 HETATM 1290 C1C RCY A 110 61.496 -11.781 0.092 1.00 1.00 C HETATM 1291 O1G RCY A 110 59.518 -14.520 2.345 1.00 1.00 O HETATM 1292 O1H RCY A 110 63.295 -12.072 3.773 1.00 1.00 O HETATM 1293 O1J RCY A 110 58.916 -13.220 -0.490 1.00 1.00 O HETATM 1294 C1L RCY A 110 61.650 -15.168 3.355 1.00 1.00 C HETATM 1295 C1M RCY A 110 59.102 -11.418 2.890 1.00 1.00 C HETATM 1296 C1P RCY A 110 60.625 -14.190 2.768 1.00 1.00 C HETATM 1297 C1Q RCY A 110 62.574 -12.938 3.281 1.00 1.00 C HETATM 1298 N1R RCY A 110 61.150 -12.755 2.772 1.00 1.00 N HETATM 1299 C1S RCY A 110 62.943 -14.396 3.070 1.00 1.00 C HETATM 1300 C1U RCY A 110 60.439 -11.462 2.370 1.00 1.00 C HETATM 1301 C1V RCY A 110 59.812 -9.923 0.460 1.00 1.00 C HETATM 1302 N1V RCY A 110 59.113 -12.321 0.643 1.00 1.00 N HETATM 1303 C1W RCY A 110 58.225 -12.162 1.875 1.00 1.00 C HETATM 1304 C1X RCY A 110 60.251 -11.333 0.859 1.00 1.00 C HETATM 1305 C1Y RCY A 110 56.979 -11.338 1.534 1.00 1.00 C HETATM 1306 C1Z RCY A 110 57.830 -13.546 2.390 1.00 1.00 C HETATM 0 H1YB RCY A 110 56.399 -11.163 2.440 1.00 1.00 H new HETATM 0 H1YA RCY A 110 57.281 -10.382 1.106 1.00 1.00 H new HETATM 0 H1VB RCY A 110 60.616 -9.218 0.672 1.00 1.00 H new HETATM 0 H1VA RCY A 110 59.582 -9.901 -0.605 1.00 1.00 H new HETATM 0 H1LA RCY A 110 61.496 -15.345 4.419 1.00 1.00 H new HETATM 0 H1CB RCY A 110 62.345 -11.164 0.385 1.00 1.00 H new HETATM 0 H1Z RCY A 110 57.209 -14.047 1.647 1.00 1.00 H new HETATM 0 H1Y RCY A 110 56.369 -11.882 0.813 1.00 1.00 H new HETATM 0 H1V RCY A 110 58.925 -9.644 1.028 1.00 1.00 H new HETATM 0 H1S RCY A 110 63.294 -14.573 2.053 1.00 1.00 H new HETATM 0 H1L RCY A 110 61.628 -16.141 2.864 1.00 1.00 H new HETATM 1309 C1C RCY A 121 60.272 -1.835 -9.772 1.00 1.00 C HETATM 1310 O1G RCY A 121 65.386 -3.073 -10.160 1.00 1.00 O HETATM 1311 O1H RCY A 121 61.842 -1.138 -12.608 1.00 1.00 O HETATM 1312 O1J RCY A 121 60.052 0.190 -7.554 1.00 1.00 O HETATM 1313 C1L RCY A 121 64.824 -3.028 -12.541 1.00 1.00 C HETATM 1314 C1M RCY A 121 63.558 -0.307 -9.026 1.00 1.00 C HETATM 1315 C1P RCY A 121 64.609 -2.733 -11.051 1.00 1.00 C HETATM 1316 C1Q RCY A 121 62.706 -1.917 -12.208 1.00 1.00 C HETATM 1317 N1R RCY A 121 63.310 -1.966 -10.810 1.00 1.00 N HETATM 1318 C1S RCY A 121 63.369 -3.012 -13.023 1.00 1.00 C HETATM 1319 C1U RCY A 121 62.750 -1.391 -9.508 1.00 1.00 C HETATM 1320 C1V RCY A 121 61.320 0.198 -10.866 1.00 1.00 C HETATM 1321 N1V RCY A 121 61.247 -0.003 -8.371 1.00 1.00 N HETATM 1322 C1W RCY A 121 62.657 0.520 -8.101 1.00 1.00 C HETATM 1323 C1X RCY A 121 61.365 -0.769 -9.681 1.00 1.00 C HETATM 1324 C1Y RCY A 121 62.751 2.009 -8.447 1.00 1.00 C HETATM 1325 C1Z RCY A 121 63.005 0.285 -6.631 1.00 1.00 C HETATM 0 H1ZB RCY A 121 62.874 -0.770 -6.390 1.00 1.00 H new HETATM 0 H1ZA RCY A 121 64.041 0.572 -6.452 1.00 1.00 H new HETATM 0 H1YB RCY A 121 63.781 2.346 -8.329 1.00 1.00 H new HETATM 0 H1YA RCY A 121 62.434 2.164 -9.478 1.00 1.00 H new HETATM 0 H1VB RCY A 121 61.461 -0.357 -11.794 1.00 1.00 H new HETATM 0 H1VA RCY A 121 60.354 0.702 -10.888 1.00 1.00 H new HETATM 0 H1MA RCY A 121 64.430 -0.680 -8.488 1.00 1.00 H new HETATM 0 H1LA RCY A 121 65.435 -2.271 -13.033 1.00 1.00 H new HETATM 0 H1CB RCY A 121 60.466 -2.483 -10.627 1.00 1.00 H new HETATM 0 H1CA RCY A 121 60.268 -2.431 -8.859 1.00 1.00 H new HETATM 0 H1Z RCY A 121 62.349 0.885 -6.001 1.00 1.00 H new HETATM 0 H1Y RCY A 121 62.105 2.579 -7.780 1.00 1.00 H new HETATM 0 H1V RCY A 121 62.113 0.939 -10.762 1.00 1.00 H new HETATM 0 H1U RCY A 121 62.725 -2.242 -8.828 1.00 1.00 H new HETATM 0 H1S RCY A 121 62.887 -3.975 -12.859 1.00 1.00 H new HETATM 0 H1M RCY A 121 63.929 0.299 -9.852 1.00 1.00 H new HETATM 0 H1L RCY A 121 65.310 -3.989 -12.711 1.00 1.00 H new HETATM 0 H1C RCY A 121 59.302 -1.352 -9.894 1.00 1.00 H new HETATM 1328 C1C RCY A 130 75.977 11.961 -6.247 1.00 1.00 C HETATM 1329 O1G RCY A 130 76.470 14.395 -2.860 1.00 1.00 O HETATM 1330 O1H RCY A 130 77.233 13.986 -4.305 1.00 1.00 O HETATM 1331 O1J RCY A 130 74.817 9.313 -7.089 1.00 1.00 O HETATM 1332 C1L RCY A 130 77.463 12.453 -3.321 1.00 1.00 C HETATM 1333 C1M RCY A 130 76.062 9.520 -3.468 1.00 1.00 C HETATM 1334 C1P RCY A 130 76.220 13.191 -2.863 1.00 1.00 C HETATM 1335 C1Q RCY A 130 77.199 13.270 -3.324 1.00 1.00 C HETATM 1336 N1R RCY A 130 76.866 11.803 -3.171 1.00 1.00 N HETATM 1337 C1S RCY A 130 76.045 12.429 -2.750 1.00 1.00 C HETATM 1338 C1U RCY A 130 76.569 10.678 -4.146 1.00 1.00 C HETATM 1339 C1V RCY A 130 74.231 11.603 -4.445 1.00 1.00 C HETATM 1340 N1V RCY A 130 75.163 9.654 -5.712 1.00 1.00 N HETATM 1341 C1W RCY A 130 75.300 8.707 -4.522 1.00 1.00 C HETATM 1342 C1X RCY A 130 75.467 11.033 -5.143 1.00 1.00 C HETATM 1343 C1Y RCY A 130 73.920 8.304 -3.996 1.00 1.00 C HETATM 1344 C1Z RCY A 130 76.094 7.473 -4.953 1.00 1.00 C HETATM 0 H1ZB RCY A 130 77.048 7.785 -5.379 1.00 1.00 H new HETATM 0 H1ZA RCY A 130 76.274 6.836 -4.087 1.00 1.00 H new HETATM 0 H1YB RCY A 130 74.036 7.697 -3.098 1.00 1.00 H new HETATM 0 H1YA RCY A 130 73.346 9.199 -3.758 1.00 1.00 H new HETATM 0 H1VB RCY A 130 74.478 12.565 -3.995 1.00 1.00 H new HETATM 0 H1VA RCY A 130 73.432 11.738 -5.174 1.00 1.00 H new HETATM 0 H1SA RCY A 130 75.155 12.132 -3.305 1.00 1.00 H new HETATM 0 H1MA RCY A 130 76.874 8.935 -3.037 1.00 1.00 H new HETATM 0 H1CB RCY A 130 76.347 12.885 -5.803 1.00 1.00 H new HETATM 0 H1CA RCY A 130 76.785 11.470 -6.790 1.00 1.00 H new HETATM 0 H1Z RCY A 130 75.527 6.918 -5.700 1.00 1.00 H new HETATM 0 H1Y RCY A 130 73.394 7.728 -4.758 1.00 1.00 H new HETATM 0 H1V RCY A 130 73.901 10.913 -3.668 1.00 1.00 H new HETATM 0 H1U RCY A 130 77.520 10.498 -4.646 1.00 1.00 H new HETATM 0 H1S RCY A 130 75.802 12.347 -1.691 1.00 1.00 H new HETATM 0 H1M RCY A 130 75.405 9.806 -2.647 1.00 1.00 H new HETATM 0 H1C RCY A 130 75.163 12.189 -6.935 1.00 1.00 H new HETATM 1347 C1C RCY A 138 84.878 -1.023 2.787 1.00 1.00 C HETATM 1348 O1G RCY A 138 88.667 1.639 4.292 1.00 1.00 O HETATM 1349 O1H RCY A 138 86.051 1.843 0.366 1.00 1.00 O HETATM 1350 O1J RCY A 138 82.275 -0.231 4.077 1.00 1.00 O HETATM 1351 C1L RCY A 138 89.209 2.021 1.936 1.00 1.00 C HETATM 1352 C1M RCY A 138 84.922 2.532 3.816 1.00 1.00 C HETATM 1353 C1P RCY A 138 88.288 1.716 3.125 1.00 1.00 C HETATM 1354 C1Q RCY A 138 86.959 1.608 1.162 1.00 1.00 C HETATM 1355 N1R RCY A 138 86.840 1.520 2.678 1.00 1.00 N HETATM 1356 C1S RCY A 138 88.413 1.352 0.810 1.00 1.00 C HETATM 1357 C1U RCY A 138 85.586 1.293 3.526 1.00 1.00 C HETATM 1358 C1V RCY A 138 84.245 1.001 1.398 1.00 1.00 C HETATM 1359 N1V RCY A 138 83.326 0.713 3.710 1.00 1.00 N HETATM 1360 C1W RCY A 138 83.469 2.169 4.149 1.00 1.00 C HETATM 1361 C1X RCY A 138 84.524 0.466 2.804 1.00 1.00 C HETATM 1362 C1Y RCY A 138 82.499 3.061 3.370 1.00 1.00 C HETATM 1363 C1Z RCY A 138 83.203 2.266 5.652 1.00 1.00 C HETATM 0 H1ZB RCY A 138 83.862 1.580 6.183 1.00 1.00 H new HETATM 0 H1ZA RCY A 138 83.392 3.285 5.990 1.00 1.00 H new HETATM 0 H1VB RCY A 138 85.130 0.867 0.776 1.00 1.00 H new HETATM 0 H1VA RCY A 138 83.408 0.456 0.961 1.00 1.00 H new HETATM 0 H1MA RCY A 138 85.398 3.042 4.653 1.00 1.00 H new HETATM 0 H1LA RCY A 138 89.342 3.091 1.775 1.00 1.00 H new HETATM 0 H1CB RCY A 138 85.829 -1.165 2.274 1.00 1.00 H new HETATM 0 H1CA RCY A 138 84.959 -1.389 3.810 1.00 1.00 H new HETATM 0 H1Z RCY A 138 82.165 2.003 5.856 1.00 1.00 H new HETATM 0 H1V RCY A 138 83.998 2.061 1.455 1.00 1.00 H new HETATM 0 H1U RCY A 138 85.952 0.785 4.418 1.00 1.00 H new HETATM 0 H1S RCY A 138 88.625 0.284 0.755 1.00 1.00 H new HETATM 0 H1M RCY A 138 84.969 3.208 2.962 1.00 1.00 H new HETATM 0 H1L RCY A 138 90.203 1.591 2.057 1.00 1.00 H new HETATM 0 H1C RCY A 138 84.098 -1.577 2.265 1.00 1.00 H new HETATM 1366 C1C RCY A 150 79.832 4.034 4.292 1.00 1.00 C HETATM 1367 O1G RCY A 150 81.905 6.828 2.426 1.00 1.00 O HETATM 1368 O1H RCY A 150 82.458 5.885 7.020 1.00 1.00 O HETATM 1369 O1J RCY A 150 80.091 4.623 1.350 1.00 1.00 O HETATM 1370 C1L RCY A 150 81.902 8.225 4.434 1.00 1.00 C HETATM 1371 C1M RCY A 150 83.380 4.071 3.243 1.00 1.00 C HETATM 1372 C1P RCY A 150 81.976 6.908 3.651 1.00 1.00 C HETATM 1373 C1Q RCY A 150 82.057 6.357 5.958 1.00 1.00 C HETATM 1374 N1R RCY A 150 82.147 5.709 4.582 1.00 1.00 N HETATM 1375 C1S RCY A 150 81.377 7.702 5.776 1.00 1.00 C HETATM 1376 C1U RCY A 150 82.355 4.233 4.234 1.00 1.00 C HETATM 1377 C1V RCY A 150 81.243 2.071 3.528 1.00 1.00 C HETATM 1378 N1V RCY A 150 81.199 4.194 2.199 1.00 1.00 N HETATM 1379 C1W RCY A 150 82.692 4.247 1.884 1.00 1.00 C HETATM 1380 C1X RCY A 150 81.122 3.595 3.597 1.00 1.00 C HETATM 1381 C1Y RCY A 150 83.079 3.110 0.933 1.00 1.00 C HETATM 1382 C1Z RCY A 150 83.025 5.604 1.264 1.00 1.00 C HETATM 0 H1ZB RCY A 150 82.688 6.400 1.928 1.00 1.00 H new HETATM 0 H1ZA RCY A 150 84.102 5.683 1.120 1.00 1.00 H new HETATM 0 H1YB RCY A 150 84.159 3.111 0.785 1.00 1.00 H new HETATM 0 H1YA RCY A 150 82.773 2.156 1.363 1.00 1.00 H new HETATM 0 H1VB RCY A 150 81.243 1.660 4.538 1.00 1.00 H new HETATM 0 H1VA RCY A 150 80.400 1.664 2.970 1.00 1.00 H new HETATM 0 H1MA RCY A 150 84.171 4.808 3.377 1.00 1.00 H new HETATM 0 H1LA RCY A 150 82.873 8.711 4.526 1.00 1.00 H new HETATM 0 H1CB RCY A 150 79.866 3.740 5.341 1.00 1.00 H new HETATM 0 H1CA RCY A 150 79.731 5.117 4.222 1.00 1.00 H new HETATM 0 H1Z RCY A 150 82.522 5.698 0.302 1.00 1.00 H new HETATM 0 H1Y RCY A 150 82.581 3.252 -0.026 1.00 1.00 H new HETATM 0 H1U RCY A 150 82.602 3.764 5.186 1.00 1.00 H new HETATM 0 H1S RCY A 150 80.292 7.599 5.764 1.00 1.00 H new HETATM 0 H1L RCY A 150 81.227 8.947 3.974 1.00 1.00 H new HETATM 0 H1C RCY A 150 78.978 3.558 3.809 1.00 1.00 H new HETATM 1385 C1C RCY A 160 71.478 9.146 4.155 1.00 1.00 C HETATM 1386 O1G RCY A 160 67.409 7.232 6.301 1.00 1.00 O HETATM 1387 O1H RCY A 160 71.943 7.595 7.568 1.00 1.00 O HETATM 1388 O1J RCY A 160 71.484 12.155 4.287 1.00 1.00 O HETATM 1389 C1L RCY A 160 68.948 5.728 7.466 1.00 1.00 C HETATM 1390 C1M RCY A 160 69.430 10.365 6.986 1.00 1.00 C HETATM 1391 C1P RCY A 160 68.542 7.008 6.723 1.00 1.00 C HETATM 1392 C1Q RCY A 160 70.870 7.157 7.157 1.00 1.00 C HETATM 1393 N1R RCY A 160 69.720 7.969 6.574 1.00 1.00 N HETATM 1394 C1S RCY A 160 70.445 5.700 7.140 1.00 1.00 C HETATM 1395 C1U RCY A 160 69.749 9.383 5.990 1.00 1.00 C HETATM 1396 C1V RCY A 160 72.214 9.525 6.552 1.00 1.00 C HETATM 1397 N1V RCY A 160 70.930 11.292 5.326 1.00 1.00 N HETATM 1398 C1W RCY A 160 70.014 11.691 6.481 1.00 1.00 C HETATM 1399 C1X RCY A 160 71.137 9.793 5.499 1.00 1.00 C HETATM 1400 C1Y RCY A 160 70.817 12.381 7.588 1.00 1.00 C HETATM 1401 C1Z RCY A 160 68.918 12.616 5.954 1.00 1.00 C HETATM 0 H1ZB RCY A 160 68.398 12.130 5.129 1.00 1.00 H new HETATM 0 H1ZA RCY A 160 68.209 12.832 6.753 1.00 1.00 H new HETATM 0 H1YB RCY A 160 70.166 12.583 8.438 1.00 1.00 H new HETATM 0 H1YA RCY A 160 71.634 11.732 7.903 1.00 1.00 H new HETATM 0 H1MA RCY A 160 68.352 10.442 7.125 1.00 1.00 H new HETATM 0 H1CB RCY A 160 71.458 8.061 4.258 1.00 1.00 H new HETATM 0 H1Z RCY A 160 69.365 13.547 5.604 1.00 1.00 H new HETATM 0 H1Y RCY A 160 71.224 13.320 7.212 1.00 1.00 H new HETATM 0 H1U RCY A 160 69.028 9.352 5.174 1.00 1.00 H new HETATM 0 H1S RCY A 160 70.630 5.245 6.167 1.00 1.00 H new HETATM 1404 C1C RCY A 168 72.622 1.253 2.099 1.00 1.00 C HETATM 1405 O1G RCY A 168 73.579 -0.146 -0.511 1.00 1.00 O HETATM 1406 O1H RCY A 168 69.551 2.088 -1.553 1.00 1.00 O HETATM 1407 O1J RCY A 168 75.369 0.885 0.922 1.00 1.00 O HETATM 1408 C1L RCY A 168 71.559 -0.812 -1.721 1.00 1.00 C HETATM 1409 C1M RCY A 168 73.136 3.474 -0.816 1.00 1.00 C HETATM 1410 C1P RCY A 168 72.446 0.133 -0.901 1.00 1.00 C HETATM 1411 C1Q RCY A 168 70.366 1.228 -1.223 1.00 1.00 C HETATM 1412 N1R RCY A 168 71.749 1.465 -0.628 1.00 1.00 N HETATM 1413 C1S RCY A 168 70.177 -0.274 -1.335 1.00 1.00 C HETATM 1414 C1U RCY A 168 72.288 2.719 0.062 1.00 1.00 C HETATM 1415 C1V RCY A 168 73.474 3.641 2.101 1.00 1.00 C HETATM 1416 N1V RCY A 168 74.448 1.949 0.533 1.00 1.00 N HETATM 1417 C1W RCY A 168 74.536 2.858 -0.691 1.00 1.00 C HETATM 1418 C1X RCY A 168 73.186 2.398 1.256 1.00 1.00 C HETATM 1419 C1Y RCY A 168 75.587 3.950 -0.472 1.00 1.00 C HETATM 1420 C1Z RCY A 168 74.883 2.015 -1.918 1.00 1.00 C HETATM 0 H1ZB RCY A 168 74.157 1.208 -2.022 1.00 1.00 H new HETATM 0 H1ZA RCY A 168 74.859 2.642 -2.809 1.00 1.00 H new HETATM 0 H1YB RCY A 168 75.578 4.638 -1.317 1.00 1.00 H new HETATM 0 H1YA RCY A 168 75.359 4.496 0.443 1.00 1.00 H new HETATM 0 H1VB RCY A 168 72.551 3.985 2.569 1.00 1.00 H new HETATM 0 H1VA RCY A 168 74.203 3.395 2.873 1.00 1.00 H new HETATM 0 H1MA RCY A 168 72.778 3.421 -1.844 1.00 1.00 H new HETATM 0 H1LA RCY A 168 71.751 -0.741 -2.792 1.00 1.00 H new HETATM 0 H1CB RCY A 168 71.637 1.530 2.476 1.00 1.00 H new HETATM 0 H1Z RCY A 168 75.881 1.593 -1.799 1.00 1.00 H new HETATM 0 H1Y RCY A 168 76.573 3.494 -0.386 1.00 1.00 H new HETATM 0 H1V RCY A 168 73.873 4.430 1.463 1.00 1.00 H new HETATM 0 H1U RCY A 168 71.395 3.264 0.366 1.00 1.00 H new HETATM 0 H1S RCY A 168 69.835 -0.701 -0.393 1.00 1.00 H new HETATM 0 H1M RCY A 168 73.147 4.527 -0.536 1.00 1.00 H new HETATM 0 H1L RCY A 168 71.693 -1.857 -1.442 1.00 1.00 H new HETATM 0 H1C RCY A 168 73.290 1.056 2.938 1.00 1.00 H new HETATM 1423 C1C RCY A 173 80.736 -8.029 1.300 1.00 1.00 C HETATM 1424 O1G RCY A 173 80.117 -3.959 4.168 1.00 1.00 O HETATM 1425 O1H RCY A 173 78.417 -7.168 1.149 1.00 1.00 O HETATM 1426 O1J RCY A 173 79.630 -7.101 -1.343 1.00 1.00 O HETATM 1427 C1L RCY A 173 77.937 -5.043 3.929 1.00 1.00 C HETATM 1428 C1M RCY A 173 81.401 -4.428 0.761 1.00 1.00 C HETATM 1429 C1P RCY A 173 79.389 -4.730 3.546 1.00 1.00 C HETATM 1430 C1Q RCY A 173 78.524 -6.188 1.885 1.00 1.00 C HETATM 1431 N1R RCY A 173 79.818 -5.496 2.295 1.00 1.00 N HETATM 1432 C1S RCY A 173 77.384 -5.443 2.556 1.00 1.00 C HETATM 1433 C1U RCY A 173 81.190 -5.558 1.620 1.00 1.00 C HETATM 1434 C1V RCY A 173 82.791 -6.970 0.259 1.00 1.00 C HETATM 1435 N1V RCY A 173 80.500 -6.294 -0.492 1.00 1.00 N HETATM 1436 C1W RCY A 173 80.771 -4.794 -0.589 1.00 1.00 C HETATM 1437 C1X RCY A 173 81.338 -6.761 0.690 1.00 1.00 C HETATM 1438 C1Y RCY A 173 81.743 -4.498 -1.734 1.00 1.00 C HETATM 1439 C1Z RCY A 173 79.447 -4.059 -0.801 1.00 1.00 C HETATM 0 H1ZB RCY A 173 78.750 -4.330 -0.008 1.00 1.00 H new HETATM 0 H1ZA RCY A 173 79.621 -2.983 -0.780 1.00 1.00 H new HETATM 0 H1YB RCY A 173 81.990 -3.436 -1.736 1.00 1.00 H new HETATM 0 H1YA RCY A 173 82.653 -5.082 -1.599 1.00 1.00 H new HETATM 0 H1VB RCY A 173 83.391 -7.250 1.125 1.00 1.00 H new HETATM 0 H1VA RCY A 173 82.839 -7.763 -0.487 1.00 1.00 H new HETATM 0 H1MA RCY A 173 80.939 -3.532 1.176 1.00 1.00 H new HETATM 0 H1CB RCY A 173 81.243 -8.258 2.238 1.00 1.00 H new HETATM 0 H1CA RCY A 173 79.674 -7.873 1.490 1.00 1.00 H new HETATM 0 H1Z RCY A 173 79.026 -4.340 -1.766 1.00 1.00 H new HETATM 0 H1Y RCY A 173 81.279 -4.764 -2.684 1.00 1.00 H new HETATM 0 H1V RCY A 173 83.180 -6.046 -0.169 1.00 1.00 H new HETATM 0 H1U RCY A 173 81.896 -5.602 2.449 1.00 1.00 H new HETATM 0 H1M RCY A 173 82.465 -4.217 0.650 1.00 1.00 H new HETATM 0 H1C RCY A 173 80.862 -8.861 0.607 1.00 1.00 H new HETATM 1442 C1C RCY A 176 81.155 -1.597 4.523 1.00 1.00 C HETATM 1443 O1G RCY A 176 77.482 -2.641 8.032 1.00 1.00 O HETATM 1444 O1H RCY A 176 81.832 -2.803 6.201 1.00 1.00 O HETATM 1445 O1J RCY A 176 81.350 -4.428 3.515 1.00 1.00 O HETATM 1446 C1L RCY A 176 79.688 -3.086 8.993 1.00 1.00 C HETATM 1447 C1M RCY A 176 77.876 -3.304 4.687 1.00 1.00 C HETATM 1448 C1P RCY A 176 78.692 -2.785 7.865 1.00 1.00 C HETATM 1449 C1Q RCY A 176 80.826 -3.053 6.863 1.00 1.00 C HETATM 1450 N1R RCY A 176 79.390 -2.685 6.510 1.00 1.00 N HETATM 1451 C1S RCY A 176 80.787 -3.790 8.190 1.00 1.00 C HETATM 1452 C1U RCY A 176 78.808 -2.313 5.145 1.00 1.00 C HETATM 1453 C1V RCY A 176 79.326 -1.614 2.767 1.00 1.00 C HETATM 1454 N1V RCY A 176 80.092 -3.753 3.820 1.00 1.00 N HETATM 1455 C1W RCY A 176 78.711 -4.384 3.986 1.00 1.00 C HETATM 1456 C1X RCY A 176 79.865 -2.265 4.043 1.00 1.00 C HETATM 1457 C1Y RCY A 176 78.110 -4.725 2.620 1.00 1.00 C HETATM 1458 C1Z RCY A 176 78.834 -5.639 4.850 1.00 1.00 C HETATM 0 H1ZB RCY A 176 79.317 -5.385 5.793 1.00 1.00 H new HETATM 0 H1YA RCY A 176 78.093 -3.831 1.997 1.00 1.00 H new HETATM 0 H1VB RCY A 176 79.115 -0.562 2.957 1.00 1.00 H new HETATM 0 H1VA RCY A 176 80.069 -1.698 1.974 1.00 1.00 H new HETATM 0 H1MA RCY A 176 77.315 -3.726 5.521 1.00 1.00 H new HETATM 0 H1LA RCY A 176 80.045 -2.182 9.487 1.00 1.00 H new HETATM 0 H1CB RCY A 176 80.941 -0.575 4.837 1.00 1.00 H new HETATM 0 H1CA RCY A 176 81.563 -2.157 5.365 1.00 1.00 H new HETATM 0 H1Z RCY A 176 79.431 -6.385 4.325 1.00 1.00 H new HETATM 0 H1V RCY A 176 78.410 -2.118 2.460 1.00 1.00 H new HETATM 0 H1U RCY A 176 78.350 -1.337 5.305 1.00 1.00 H new HETATM 0 H1S RCY A 176 80.560 -4.847 8.050 1.00 1.00 H new HETATM 0 H1M RCY A 176 77.149 -2.868 4.002 1.00 1.00 H new HETATM 0 H1L RCY A 176 79.262 -3.725 9.767 1.00 1.00 H new HETATM 0 H1C RCY A 176 81.881 -1.583 3.710 1.00 1.00 H new HETATM 1461 C1C RCY A 187 75.930 -0.682 -6.260 1.00 1.00 C HETATM 1462 O1G RCY A 187 78.633 -3.849 -8.032 1.00 1.00 O HETATM 1463 O1H RCY A 187 79.902 -0.923 -4.550 1.00 1.00 O HETATM 1464 O1J RCY A 187 74.106 -1.430 -3.983 1.00 1.00 O HETATM 1465 C1L RCY A 187 80.673 -2.578 -7.572 1.00 1.00 C HETATM 1466 C1M RCY A 187 77.442 -3.315 -4.145 1.00 1.00 C HETATM 1467 C1P RCY A 187 79.235 -3.047 -7.319 1.00 1.00 C HETATM 1468 C1Q RCY A 187 79.748 -1.432 -5.659 1.00 1.00 C HETATM 1469 N1R RCY A 187 78.642 -2.395 -6.071 1.00 1.00 N HETATM 1470 C1S RCY A 187 80.631 -1.214 -6.874 1.00 1.00 C HETATM 1471 C1U RCY A 187 77.288 -2.638 -5.401 1.00 1.00 C HETATM 1472 C1V RCY A 187 77.480 -0.377 -4.277 1.00 1.00 C HETATM 1473 N1V RCY A 187 75.488 -1.885 -4.108 1.00 1.00 N HETATM 1474 C1W RCY A 187 76.173 -3.013 -3.338 1.00 1.00 C HETATM 1475 C1X RCY A 187 76.566 -1.342 -5.035 1.00 1.00 C HETATM 1476 C1Y RCY A 187 76.532 -2.553 -1.922 1.00 1.00 C HETATM 1477 C1Z RCY A 187 75.243 -4.225 -3.292 1.00 1.00 C HETATM 0 H1ZB RCY A 187 74.952 -4.499 -4.306 1.00 1.00 H new HETATM 0 H1ZA RCY A 187 75.760 -5.063 -2.824 1.00 1.00 H new HETATM 0 H1YB RCY A 187 77.094 -3.338 -1.416 1.00 1.00 H new HETATM 0 H1YA RCY A 187 77.139 -1.650 -1.976 1.00 1.00 H new HETATM 0 H1VB RCY A 187 78.280 -0.040 -4.936 1.00 1.00 H new HETATM 0 H1VA RCY A 187 76.901 0.483 -3.939 1.00 1.00 H new HETATM 0 H1MA RCY A 187 77.563 -4.388 -4.293 1.00 1.00 H new HETATM 0 H1LA RCY A 187 81.413 -3.248 -7.135 1.00 1.00 H new HETATM 0 H1CB RCY A 187 76.704 -0.448 -6.990 1.00 1.00 H new HETATM 0 H1CA RCY A 187 75.205 -1.364 -6.705 1.00 1.00 H new HETATM 0 H1Z RCY A 187 74.353 -3.979 -2.713 1.00 1.00 H new HETATM 0 H1Y RCY A 187 75.619 -2.344 -1.365 1.00 1.00 H new HETATM 0 H1V RCY A 187 77.911 -0.886 -3.415 1.00 1.00 H new HETATM 0 H1U RCY A 187 76.726 -3.217 -6.133 1.00 1.00 H new HETATM 0 H1S RCY A 187 80.221 -0.446 -7.529 1.00 1.00 H new HETATM 0 H1M RCY A 187 78.330 -2.964 -3.620 1.00 1.00 H new HETATM 0 H1L RCY A 187 80.905 -2.496 -8.634 1.00 1.00 H new HETATM 0 H1C RCY A 187 75.426 0.236 -5.958 1.00 1.00 H new