USER MOD reduce.3.24.130724 H: found=0, std=0, add=781, rem=0, adj=17 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 60 CYS H : A 60 CYS N : A 160 RCY C1L :(H bumps) USER MOD NoAdj-H: A 110 RCYH1SA : A 110 RCY C1S : A 10 CYS SG :(H bumps) USER MOD NoAdj-H: A 121 RCYH1SA : A 121 RCY C1S : A 21 CYS SG :(H bumps) USER MOD NoAdj-H: A 130 RCYH1ZB : A 130 RCY C1Z : A 60 CYS CB :(H bumps) USER MOD NoAdj-H: A 130 RCYH1ZA : A 130 RCY C1Z : A 60 CYS SG :(H bumps) USER MOD NoAdj-H: A 130 RCYH1YB : A 130 RCY C1Y : A 160 RCY N1R :(H bumps) USER MOD NoAdj-H: A 130 RCYH1YA : A 130 RCY C1Y : A 160 RCY N1R :(H bumps) USER MOD NoAdj-H: A 130 RCYH1VB : A 130 RCY C1V : A 62 THR OG1 :(H bumps) USER MOD NoAdj-H: A 130 RCYH1SA : A 130 RCY C1S : A 30 CYS SG :(H bumps) USER MOD NoAdj-H: A 130 RCYH1CB : A 130 RCY C1C : A 173 RCY C1V :(H bumps) USER MOD NoAdj-H: A 130 RCY H1Y : A 130 RCY C1Y : A 160 RCY O1H :(H bumps) USER MOD NoAdj-H: A 130 RCY H1V : A 130 RCY C1V : A 62 THR OG1 :(H bumps) USER MOD NoAdj-H: A 130 RCY H1C : A 130 RCY C1C : A 173 RCY C1V :(H bumps) USER MOD NoAdj-H: A 138 RCYH1VB : A 138 RCY C1V : A 150 RCY C1M :(H bumps) USER MOD NoAdj-H: A 138 RCYH1VA : A 138 RCY C1V : 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 RCYH1CB : A 138 RCY C1C : A 160 RCY N1V :(H bumps) USER MOD NoAdj-H: A 138 RCYH1CA : A 138 RCY C1C : A 160 RCY C1X :(H bumps) USER MOD NoAdj-H: A 138 RCY H1V : A 138 RCY C1V : A 150 RCY C1M :(H bumps) USER MOD NoAdj-H: A 138 RCY H1C : A 138 RCY C1C : A 160 RCY C1X :(H bumps) USER MOD NoAdj-H: A 150 RCYH1ZB : A 150 RCY C1Z : A 187 RCY C1V :(H bumps) USER MOD NoAdj-H: A 150 RCYH1SA : A 150 RCY C1S : A 50 CYS SG :(H bumps) USER MOD NoAdj-H: A 150 RCYH1MA : A 150 RCY C1M : A 138 RCY C1V :(H bumps) USER MOD NoAdj-H: A 150 RCY H1M : A 150 RCY C1M : A 138 RCY C1V :(H bumps) USER MOD NoAdj-H: A 160 RCYH1YB : A 160 RCY C1Y : A 173 RCY C1Y :(H bumps) USER MOD NoAdj-H: A 160 RCYH1YA : A 160 RCY C1Y : A 173 RCY C1Y :(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 RCYH1CB : A 160 RCY C1C : A 138 RCY N1V :(H bumps) USER MOD NoAdj-H: A 160 RCYH1CA : A 160 RCY C1C : A 138 RCY C1C :(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 138 RCY C1C :(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 RCY H1L : A 168 RCY C1L : A 173 RCY C1Z :(H bumps) USER MOD NoAdj-H: A 173 RCYH1ZA : A 173 RCY C1Z : A 168 RCY C1L :(H bumps) USER MOD NoAdj-H: A 173 RCYH1YB : A 173 RCY C1Y : A 160 RCY C1Y :(H bumps) USER MOD NoAdj-H: A 173 RCYH1VB : A 173 RCY C1V : A 130 RCY C1C :(H bumps) USER MOD NoAdj-H: A 173 RCYH1SA : A 173 RCY C1S : A 73 CYS SG :(H bumps) USER MOD NoAdj-H: A 173 RCYH1MA : A 173 RCY C1M : A 69 PRO CG :(H bumps) USER MOD NoAdj-H: A 173 RCYH1CA : A 173 RCY C1C : A 68 CYS O :(H bumps) USER MOD NoAdj-H: A 173 RCY H1Z : A 173 RCY C1Z : A 168 RCY C1L :(H bumps) USER MOD NoAdj-H: A 173 RCY H1V : A 173 RCY C1V : A 130 RCY C1C :(H bumps) USER MOD NoAdj-H: A 173 RCY H1U : A 173 RCY C1U : A 69 PRO CA :(H bumps) USER MOD NoAdj-H: A 173 RCY H1M : A 173 RCY C1M : A 69 PRO CB :(H bumps) USER MOD NoAdj-H: A 176 RCYH1YA : A 176 RCY C1Y : A 168 RCY O1H :(H bumps) USER MOD NoAdj-H: A 176 RCYH1SA : A 176 RCY C1S : A 76 CYS SG :(H bumps) USER MOD NoAdj-H: A 187 RCYH1VB : A 187 RCY C1V : A 150 RCY C1Z :(H bumps) USER MOD NoAdj-H: A 187 RCYH1VA : A 187 RCY C1V : A 150 RCY N1V :(H bumps) USER MOD NoAdj-H: A 187 RCYH1SA : A 187 RCY C1S : A 87 CYS SG :(H bumps) USER MOD NoAdj-H: A 187 RCY H1V : A 187 RCY C1V : A 150 RCY N1V :(H bumps) USER MOD Set 1.1: A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Set 1.2: A 40 SER OG : rot 180:sc= 0 USER MOD Set 1.3: A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET CE :methyl 142:sc= -0.248 (180deg=-1.35!) USER MOD Single : A 1 MET N :NH3+ 170:sc= -0.767 (180deg=-1.19) USER MOD Single : A 2 ASN :FLIP amide:sc= -0.25 F(o=-2.5!,f=-0.25) USER MOD Single : A 7 LYS NZ :NH3+ 160:sc= -0.0611 (180deg=-0.657) USER MOD Single : A 12 SER OG : rot -13:sc= 0.995 USER MOD Single : A 14 THR OG1 : rot -50:sc= 0.0805! USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.0115 USER MOD Single : A 25 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0364) USER MOD Single : A 29 LYS NZ :NH3+ -139:sc= -0.218 (180deg=-1.29!) USER MOD Single : A 31 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0429) USER MOD Single : A 32 GLN : amide:sc= -0.397 X(o=-0.4,f=-0.17) USER MOD Single : A 34 GLN :FLIP amide:sc= -12.7! C(o=-16!,f=-13!) USER MOD Single : A 35 THR OG1 : rot -136:sc= -1.07! USER MOD Single : A 39 LYS NZ :NH3+ -154:sc= -0.0898 (180deg=-0.632) USER MOD Single : A 44 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0286) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= -0.215 K(o=-0.21,f=-1.7!) USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 49:sc= 0.0987 USER MOD Single : A 74 ASN : amide:sc= -4.69! C(o=-4.7!,f=-11!) USER MOD Single : A 75 HIS : no HD1:sc= -0.173 X(o=-0.17,f=-0.52) USER MOD Single : A 79 HIS : no HD1:sc= -3.62 K(o=-3.6,f=-7.4!) USER MOD Single : A 83 GLN : amide:sc= -0.239 X(o=-0.24,f=-0.66) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 51.417 -13.831 -4.154 1.00 1.00 N ATOM 2 CA MET A 1 51.005 -14.948 -5.050 1.00 1.00 C ATOM 3 C MET A 1 50.001 -14.430 -6.082 1.00 1.00 C ATOM 4 O MET A 1 49.929 -14.920 -7.192 1.00 1.00 O ATOM 5 CB MET A 1 50.355 -16.056 -4.218 1.00 1.00 C ATOM 6 CG MET A 1 49.285 -15.450 -3.308 1.00 1.00 C ATOM 7 SD MET A 1 48.387 -16.777 -2.466 1.00 1.00 S ATOM 8 CE MET A 1 49.789 -17.447 -1.539 1.00 1.00 C ATOM 0 H1 MET A 1 51.962 -14.211 -3.354 1.00 1.00 H new ATOM 0 H2 MET A 1 52.005 -13.158 -4.686 1.00 1.00 H new ATOM 0 H3 MET A 1 50.571 -13.343 -3.796 1.00 1.00 H new ATOM 0 HA MET A 1 51.881 -15.345 -5.563 1.00 1.00 H new ATOM 0 HB2 MET A 1 49.909 -16.804 -4.874 1.00 1.00 H new ATOM 0 HB3 MET A 1 51.110 -16.566 -3.620 1.00 1.00 H new ATOM 0 HG2 MET A 1 49.747 -14.788 -2.576 1.00 1.00 H new ATOM 0 HG3 MET A 1 48.594 -14.844 -3.894 1.00 1.00 H new ATOM 0 HE1 MET A 1 49.457 -17.750 -0.546 1.00 1.00 H new ATOM 0 HE2 MET A 1 50.194 -18.311 -2.066 1.00 1.00 H new ATOM 0 HE3 MET A 1 50.562 -16.684 -1.446 1.00 1.00 H new ATOM 17 N ASN A 2 49.225 -13.443 -5.726 1.00 1.00 N ATOM 18 CA ASN A 2 48.227 -12.896 -6.688 1.00 1.00 C ATOM 19 C ASN A 2 48.923 -11.933 -7.652 1.00 1.00 C ATOM 20 O ASN A 2 48.970 -12.159 -8.844 1.00 1.00 O ATOM 21 CB ASN A 2 47.134 -12.149 -5.920 1.00 1.00 C ATOM 22 CG ASN A 2 45.993 -11.790 -6.874 1.00 1.00 C ATOM 23 OD1 ASN A 2 46.087 -12.115 -8.135 1.00 1.00 O flip ATOM 24 ND2 ASN A 2 45.007 -11.208 -6.468 1.00 1.00 N flip ATOM 0 H ASN A 2 49.239 -12.992 -4.811 1.00 1.00 H new ATOM 0 HA ASN A 2 47.779 -13.714 -7.252 1.00 1.00 H new ATOM 0 HB2 ASN A 2 46.759 -12.769 -5.105 1.00 1.00 H new ATOM 0 HB3 ASN A 2 47.544 -11.245 -5.470 1.00 1.00 H new ATOM 0 HD21 ASN A 2 44.934 -10.954 -5.483 1.00 1.00 H new ATOM 0 HD22 ASN A 2 44.252 -10.973 -7.112 1.00 1.00 H new ATOM 31 N LEU A 3 49.463 -10.857 -7.145 1.00 1.00 N ATOM 32 CA LEU A 3 50.153 -9.882 -8.035 1.00 1.00 C ATOM 33 C LEU A 3 51.132 -10.625 -8.949 1.00 1.00 C ATOM 34 O LEU A 3 51.431 -11.784 -8.743 1.00 1.00 O ATOM 35 CB LEU A 3 50.908 -8.851 -7.185 1.00 1.00 C ATOM 36 CG LEU A 3 52.150 -9.499 -6.571 1.00 1.00 C ATOM 37 CD1 LEU A 3 52.847 -8.496 -5.649 1.00 1.00 C ATOM 38 CD2 LEU A 3 51.735 -10.730 -5.762 1.00 1.00 C ATOM 0 H LEU A 3 49.456 -10.612 -6.155 1.00 1.00 H new ATOM 0 HA LEU A 3 49.415 -9.365 -8.648 1.00 1.00 H new ATOM 0 HB2 LEU A 3 51.197 -7.999 -7.801 1.00 1.00 H new ATOM 0 HB3 LEU A 3 50.258 -8.469 -6.398 1.00 1.00 H new ATOM 0 HG LEU A 3 52.834 -9.798 -7.366 1.00 1.00 H new ATOM 0 HD11 LEU A 3 53.732 -8.958 -5.212 1.00 1.00 H new ATOM 0 HD12 LEU A 3 53.142 -7.618 -6.223 1.00 1.00 H new ATOM 0 HD13 LEU A 3 52.164 -8.197 -4.854 1.00 1.00 H new ATOM 0 HD21 LEU A 3 52.619 -11.193 -5.324 1.00 1.00 H new ATOM 0 HD22 LEU A 3 51.051 -10.430 -4.968 1.00 1.00 H new ATOM 0 HD23 LEU A 3 51.238 -11.445 -6.417 1.00 1.00 H new ATOM 50 N GLU A 4 51.633 -9.965 -9.958 1.00 1.00 N ATOM 51 CA GLU A 4 52.592 -10.633 -10.885 1.00 1.00 C ATOM 52 C GLU A 4 54.019 -10.463 -10.348 1.00 1.00 C ATOM 53 O GLU A 4 54.335 -9.468 -9.727 1.00 1.00 O ATOM 54 CB GLU A 4 52.488 -9.990 -12.270 1.00 1.00 C ATOM 55 CG GLU A 4 51.089 -10.229 -12.840 1.00 1.00 C ATOM 56 CD GLU A 4 50.920 -11.713 -13.174 1.00 1.00 C ATOM 57 OE1 GLU A 4 51.871 -12.302 -13.660 1.00 1.00 O ATOM 58 OE2 GLU A 4 49.842 -12.234 -12.939 1.00 1.00 O ATOM 0 H GLU A 4 51.420 -8.993 -10.181 1.00 1.00 H new ATOM 0 HA GLU A 4 52.354 -11.694 -10.957 1.00 1.00 H new ATOM 0 HB2 GLU A 4 52.687 -8.920 -12.202 1.00 1.00 H new ATOM 0 HB3 GLU A 4 53.241 -10.412 -12.936 1.00 1.00 H new ATOM 0 HG2 GLU A 4 50.333 -9.919 -12.118 1.00 1.00 H new ATOM 0 HG3 GLU A 4 50.941 -9.625 -13.735 1.00 1.00 H new ATOM 65 N PRO A 5 54.875 -11.426 -10.586 1.00 1.00 N ATOM 66 CA PRO A 5 56.288 -11.382 -10.121 1.00 1.00 C ATOM 67 C PRO A 5 56.883 -9.967 -10.180 1.00 1.00 C ATOM 68 O PRO A 5 57.282 -9.503 -11.230 1.00 1.00 O ATOM 69 CB PRO A 5 56.999 -12.305 -11.109 1.00 1.00 C ATOM 70 CG PRO A 5 55.973 -13.320 -11.499 1.00 1.00 C ATOM 71 CD PRO A 5 54.596 -12.664 -11.331 1.00 1.00 C ATOM 0 HA PRO A 5 56.389 -11.682 -9.078 1.00 1.00 H new ATOM 0 HB2 PRO A 5 57.357 -11.752 -11.978 1.00 1.00 H new ATOM 0 HB3 PRO A 5 57.868 -12.778 -10.652 1.00 1.00 H new ATOM 0 HG2 PRO A 5 56.123 -13.641 -12.530 1.00 1.00 H new ATOM 0 HG3 PRO A 5 56.054 -14.209 -10.873 1.00 1.00 H new ATOM 0 HD2 PRO A 5 54.135 -12.453 -12.296 1.00 1.00 H new ATOM 0 HD3 PRO A 5 53.910 -13.312 -10.785 1.00 1.00 H new ATOM 79 N PRO A 6 56.944 -9.285 -9.062 1.00 1.00 N ATOM 80 CA PRO A 6 57.498 -7.907 -8.990 1.00 1.00 C ATOM 81 C PRO A 6 59.023 -7.902 -8.833 1.00 1.00 C ATOM 82 O PRO A 6 59.584 -8.705 -8.114 1.00 1.00 O ATOM 83 CB PRO A 6 56.824 -7.331 -7.745 1.00 1.00 C ATOM 84 CG PRO A 6 56.601 -8.506 -6.848 1.00 1.00 C ATOM 85 CD PRO A 6 56.487 -9.747 -7.742 1.00 1.00 C ATOM 0 HA PRO A 6 57.308 -7.335 -9.898 1.00 1.00 H new ATOM 0 HB2 PRO A 6 57.454 -6.582 -7.265 1.00 1.00 H new ATOM 0 HB3 PRO A 6 55.883 -6.842 -7.996 1.00 1.00 H new ATOM 0 HG2 PRO A 6 57.426 -8.614 -6.144 1.00 1.00 H new ATOM 0 HG3 PRO A 6 55.694 -8.373 -6.258 1.00 1.00 H new ATOM 0 HD2 PRO A 6 57.105 -10.564 -7.370 1.00 1.00 H new ATOM 0 HD3 PRO A 6 55.462 -10.116 -7.782 1.00 1.00 H new ATOM 93 N LYS A 7 59.696 -7.004 -9.500 1.00 1.00 N ATOM 94 CA LYS A 7 61.181 -6.950 -9.386 1.00 1.00 C ATOM 95 C LYS A 7 61.707 -5.723 -10.133 1.00 1.00 C ATOM 96 O LYS A 7 62.850 -5.336 -9.985 1.00 1.00 O ATOM 97 CB LYS A 7 61.785 -8.216 -9.997 1.00 1.00 C ATOM 98 CG LYS A 7 61.146 -8.480 -11.362 1.00 1.00 C ATOM 99 CD LYS A 7 61.960 -9.536 -12.112 1.00 1.00 C ATOM 100 CE LYS A 7 61.348 -9.766 -13.495 1.00 1.00 C ATOM 101 NZ LYS A 7 61.401 -8.499 -14.278 1.00 1.00 N ATOM 0 H LYS A 7 59.282 -6.306 -10.118 1.00 1.00 H new ATOM 0 HA LYS A 7 61.462 -6.883 -8.335 1.00 1.00 H new ATOM 0 HB2 LYS A 7 62.864 -8.101 -10.105 1.00 1.00 H new ATOM 0 HB3 LYS A 7 61.619 -9.066 -9.336 1.00 1.00 H new ATOM 0 HG2 LYS A 7 60.119 -8.821 -11.234 1.00 1.00 H new ATOM 0 HG3 LYS A 7 61.106 -7.557 -11.941 1.00 1.00 H new ATOM 0 HD2 LYS A 7 62.995 -9.210 -12.211 1.00 1.00 H new ATOM 0 HD3 LYS A 7 61.972 -10.469 -11.548 1.00 1.00 H new ATOM 0 HE2 LYS A 7 61.891 -10.553 -14.019 1.00 1.00 H new ATOM 0 HE3 LYS A 7 60.316 -10.102 -13.397 1.00 1.00 H new ATOM 0 HZ1 LYS A 7 61.312 -8.713 -15.292 1.00 1.00 H new ATOM 0 HZ2 LYS A 7 60.620 -7.877 -13.986 1.00 1.00 H new ATOM 0 HZ3 LYS A 7 62.308 -8.021 -14.103 1.00 1.00 H new ATOM 115 N ALA A 8 60.884 -5.106 -10.936 1.00 1.00 N ATOM 116 CA ALA A 8 61.338 -3.905 -11.692 1.00 1.00 C ATOM 117 C ALA A 8 60.167 -3.338 -12.497 1.00 1.00 C ATOM 118 O ALA A 8 59.392 -4.069 -13.082 1.00 1.00 O ATOM 119 CB ALA A 8 62.470 -4.300 -12.644 1.00 1.00 C ATOM 0 H ALA A 8 59.916 -5.382 -11.101 1.00 1.00 H new ATOM 0 HA ALA A 8 61.698 -3.149 -10.994 1.00 1.00 H new ATOM 0 HB1 ALA A 8 62.803 -3.422 -13.198 1.00 1.00 H new ATOM 0 HB2 ALA A 8 63.304 -4.705 -12.070 1.00 1.00 H new ATOM 0 HB3 ALA A 8 62.111 -5.055 -13.343 1.00 1.00 H new ATOM 125 N GLU A 9 60.030 -2.039 -12.530 1.00 1.00 N ATOM 126 CA GLU A 9 58.909 -1.421 -13.296 1.00 1.00 C ATOM 127 C GLU A 9 59.411 -0.163 -14.008 1.00 1.00 C ATOM 128 O GLU A 9 59.015 0.941 -13.691 1.00 1.00 O ATOM 129 CB GLU A 9 57.779 -1.044 -12.334 1.00 1.00 C ATOM 130 CG GLU A 9 57.395 -2.263 -11.493 1.00 1.00 C ATOM 131 CD GLU A 9 56.944 -3.398 -12.414 1.00 1.00 C ATOM 132 OE1 GLU A 9 56.466 -3.102 -13.496 1.00 1.00 O ATOM 133 OE2 GLU A 9 57.085 -4.545 -12.021 1.00 1.00 O ATOM 0 H GLU A 9 60.648 -1.378 -12.058 1.00 1.00 H new ATOM 0 HA GLU A 9 58.537 -2.133 -14.033 1.00 1.00 H new ATOM 0 HB2 GLU A 9 58.097 -0.227 -11.686 1.00 1.00 H new ATOM 0 HB3 GLU A 9 56.914 -0.688 -12.894 1.00 1.00 H new ATOM 0 HG2 GLU A 9 58.245 -2.585 -10.891 1.00 1.00 H new ATOM 0 HG3 GLU A 9 56.594 -2.003 -10.801 1.00 1.00 H new ATOM 140 N CYS A 10 60.279 -0.321 -14.969 1.00 1.00 N ATOM 141 CA CYS A 10 60.805 0.866 -15.701 1.00 1.00 C ATOM 142 C CYS A 10 59.666 1.531 -16.476 1.00 1.00 C ATOM 143 O CYS A 10 59.519 1.341 -17.667 1.00 1.00 O ATOM 144 CB CYS A 10 61.896 0.420 -16.677 1.00 1.00 C ATOM 145 SG CYS A 10 62.283 1.776 -17.811 1.00 1.00 S ATOM 0 H CYS A 10 60.647 -1.220 -15.279 1.00 1.00 H new ATOM 0 HA CYS A 10 61.224 1.577 -14.989 1.00 1.00 H new ATOM 0 HB2 CYS A 10 62.790 0.124 -16.129 1.00 1.00 H new ATOM 0 HB3 CYS A 10 61.562 -0.453 -17.238 1.00 1.00 H new ATOM 150 N ARG A 11 58.857 2.309 -15.810 1.00 1.00 N ATOM 151 CA ARG A 11 57.727 2.984 -16.509 1.00 1.00 C ATOM 152 C ARG A 11 57.125 4.051 -15.594 1.00 1.00 C ATOM 153 O ARG A 11 55.925 4.239 -15.549 1.00 1.00 O ATOM 154 CB ARG A 11 56.655 1.950 -16.861 1.00 1.00 C ATOM 155 CG ARG A 11 56.193 1.239 -15.588 1.00 1.00 C ATOM 156 CD ARG A 11 55.258 0.086 -15.957 1.00 1.00 C ATOM 157 NE ARG A 11 56.025 -0.961 -16.688 1.00 1.00 N ATOM 158 CZ ARG A 11 55.396 -1.841 -17.418 1.00 1.00 C ATOM 159 NH1 ARG A 11 54.094 -1.804 -17.507 1.00 1.00 N ATOM 160 NH2 ARG A 11 56.068 -2.759 -18.058 1.00 1.00 N ATOM 0 H ARG A 11 58.930 2.506 -14.812 1.00 1.00 H new ATOM 0 HA ARG A 11 58.093 3.454 -17.422 1.00 1.00 H new ATOM 0 HB2 ARG A 11 55.809 2.438 -17.345 1.00 1.00 H new ATOM 0 HB3 ARG A 11 57.053 1.225 -17.571 1.00 1.00 H new ATOM 0 HG2 ARG A 11 57.054 0.861 -15.037 1.00 1.00 H new ATOM 0 HG3 ARG A 11 55.679 1.942 -14.932 1.00 1.00 H new ATOM 0 HD2 ARG A 11 54.812 -0.337 -15.057 1.00 1.00 H new ATOM 0 HD3 ARG A 11 54.439 0.452 -16.577 1.00 1.00 H new ATOM 0 HE ARG A 11 57.042 -0.990 -16.618 1.00 1.00 H new ATOM 0 HH11 ARG A 11 53.569 -1.087 -17.006 1.00 1.00 H new ATOM 0 HH12 ARG A 11 53.602 -2.492 -18.078 1.00 1.00 H new ATOM 0 HH21 ARG A 11 57.085 -2.789 -17.988 1.00 1.00 H new ATOM 0 HH22 ARG A 11 55.576 -3.447 -18.628 1.00 1.00 H new ATOM 174 N SER A 12 57.947 4.753 -14.862 1.00 1.00 N ATOM 175 CA SER A 12 57.418 5.807 -13.951 1.00 1.00 C ATOM 176 C SER A 12 58.568 6.700 -13.480 1.00 1.00 C ATOM 177 O SER A 12 58.467 7.383 -12.480 1.00 1.00 O ATOM 178 CB SER A 12 56.755 5.148 -12.741 1.00 1.00 C ATOM 179 OG SER A 12 56.484 6.137 -11.757 1.00 1.00 O ATOM 0 H SER A 12 58.961 4.642 -14.856 1.00 1.00 H new ATOM 0 HA SER A 12 56.684 6.412 -14.483 1.00 1.00 H new ATOM 0 HB2 SER A 12 55.831 4.655 -13.042 1.00 1.00 H new ATOM 0 HB3 SER A 12 57.407 4.378 -12.329 1.00 1.00 H new ATOM 0 HG SER A 12 56.961 6.963 -11.983 1.00 1.00 H new ATOM 185 N ALA A 13 59.661 6.701 -14.193 1.00 1.00 N ATOM 186 CA ALA A 13 60.815 7.550 -13.785 1.00 1.00 C ATOM 187 C ALA A 13 60.483 9.021 -14.046 1.00 1.00 C ATOM 188 O ALA A 13 59.518 9.340 -14.712 1.00 1.00 O ATOM 189 CB ALA A 13 62.051 7.155 -14.597 1.00 1.00 C ATOM 0 H ALA A 13 59.804 6.151 -15.040 1.00 1.00 H new ATOM 0 HA ALA A 13 61.016 7.405 -12.723 1.00 1.00 H new ATOM 0 HB1 ALA A 13 62.896 7.776 -14.299 1.00 1.00 H new ATOM 0 HB2 ALA A 13 62.288 6.107 -14.413 1.00 1.00 H new ATOM 0 HB3 ALA A 13 61.851 7.300 -15.659 1.00 1.00 H new ATOM 195 N THR A 14 61.273 9.920 -13.526 1.00 1.00 N ATOM 196 CA THR A 14 61.001 11.368 -13.745 1.00 1.00 C ATOM 197 C THR A 14 62.240 12.183 -13.365 1.00 1.00 C ATOM 198 O THR A 14 63.342 11.883 -13.780 1.00 1.00 O ATOM 199 CB THR A 14 59.814 11.800 -12.877 1.00 1.00 C ATOM 200 OG1 THR A 14 58.822 10.784 -12.896 1.00 1.00 O ATOM 201 CG2 THR A 14 59.226 13.101 -13.425 1.00 1.00 C ATOM 0 H THR A 14 62.095 9.714 -12.959 1.00 1.00 H new ATOM 0 HA THR A 14 60.764 11.540 -14.795 1.00 1.00 H new ATOM 0 HB THR A 14 60.151 11.960 -11.853 1.00 1.00 H new ATOM 0 HG1 THR A 14 58.634 10.528 -13.823 1.00 1.00 H new ATOM 0 HG21 THR A 14 58.382 13.407 -12.807 1.00 1.00 H new ATOM 0 HG22 THR A 14 59.989 13.880 -13.410 1.00 1.00 H new ATOM 0 HG23 THR A 14 58.888 12.944 -14.449 1.00 1.00 H new ATOM 209 N ARG A 15 62.069 13.211 -12.580 1.00 1.00 N ATOM 210 CA ARG A 15 63.239 14.042 -12.176 1.00 1.00 C ATOM 211 C ARG A 15 64.067 13.286 -11.135 1.00 1.00 C ATOM 212 O ARG A 15 64.874 13.862 -10.432 1.00 1.00 O ATOM 213 CB ARG A 15 62.745 15.363 -11.580 1.00 1.00 C ATOM 214 CG ARG A 15 61.832 15.077 -10.386 1.00 1.00 C ATOM 215 CD ARG A 15 61.004 16.323 -10.066 1.00 1.00 C ATOM 216 NE ARG A 15 61.911 17.427 -9.645 1.00 1.00 N ATOM 217 CZ ARG A 15 62.291 17.521 -8.400 1.00 1.00 C ATOM 218 NH1 ARG A 15 61.876 16.647 -7.524 1.00 1.00 N ATOM 219 NH2 ARG A 15 63.085 18.488 -8.031 1.00 1.00 N ATOM 0 H ARG A 15 61.171 13.512 -12.201 1.00 1.00 H new ATOM 0 HA ARG A 15 63.858 14.248 -13.049 1.00 1.00 H new ATOM 0 HB2 ARG A 15 63.593 15.971 -11.265 1.00 1.00 H new ATOM 0 HB3 ARG A 15 62.205 15.935 -12.335 1.00 1.00 H new ATOM 0 HG2 ARG A 15 61.174 14.238 -10.611 1.00 1.00 H new ATOM 0 HG3 ARG A 15 62.428 14.791 -9.519 1.00 1.00 H new ATOM 0 HD2 ARG A 15 60.428 16.625 -10.941 1.00 1.00 H new ATOM 0 HD3 ARG A 15 60.288 16.104 -9.274 1.00 1.00 H new ATOM 0 HE ARG A 15 62.235 18.110 -10.330 1.00 1.00 H new ATOM 0 HH11 ARG A 15 61.255 15.891 -7.813 1.00 1.00 H new ATOM 0 HH12 ARG A 15 62.173 16.720 -6.551 1.00 1.00 H new ATOM 0 HH21 ARG A 15 63.409 19.171 -8.716 1.00 1.00 H new ATOM 0 HH22 ARG A 15 63.382 18.561 -7.058 1.00 1.00 H new ATOM 233 N VAL A 16 63.874 12.000 -11.031 1.00 1.00 N ATOM 234 CA VAL A 16 64.650 11.204 -10.037 1.00 1.00 C ATOM 235 C VAL A 16 64.636 11.917 -8.683 1.00 1.00 C ATOM 236 O VAL A 16 65.606 12.532 -8.286 1.00 1.00 O ATOM 237 CB VAL A 16 66.095 11.057 -10.519 1.00 1.00 C ATOM 238 CG1 VAL A 16 66.831 10.053 -9.630 1.00 1.00 C ATOM 239 CG2 VAL A 16 66.100 10.556 -11.965 1.00 1.00 C ATOM 0 H VAL A 16 63.211 11.465 -11.592 1.00 1.00 H new ATOM 0 HA VAL A 16 64.197 10.218 -9.931 1.00 1.00 H new ATOM 0 HB VAL A 16 66.596 12.024 -10.466 1.00 1.00 H new ATOM 0 HG11 VAL A 16 67.860 9.949 -9.974 1.00 1.00 H new ATOM 0 HG12 VAL A 16 66.827 10.408 -8.599 1.00 1.00 H new ATOM 0 HG13 VAL A 16 66.331 9.086 -9.682 1.00 1.00 H new ATOM 0 HG21 VAL A 16 67.129 10.451 -12.310 1.00 1.00 H new ATOM 0 HG22 VAL A 16 65.599 9.589 -12.017 1.00 1.00 H new ATOM 0 HG23 VAL A 16 65.576 11.271 -12.599 1.00 1.00 H new ATOM 249 N MET A 17 63.546 11.838 -7.971 1.00 1.00 N ATOM 250 CA MET A 17 63.476 12.509 -6.642 1.00 1.00 C ATOM 251 C MET A 17 62.194 12.086 -5.922 1.00 1.00 C ATOM 252 O MET A 17 61.290 11.532 -6.516 1.00 1.00 O ATOM 253 CB MET A 17 63.476 14.028 -6.838 1.00 1.00 C ATOM 254 CG MET A 17 63.721 14.717 -5.494 1.00 1.00 C ATOM 255 SD MET A 17 64.155 16.452 -5.776 1.00 1.00 S ATOM 256 CE MET A 17 64.396 16.909 -4.042 1.00 1.00 C ATOM 0 H MET A 17 62.702 11.339 -8.251 1.00 1.00 H new ATOM 0 HA MET A 17 64.339 12.220 -6.043 1.00 1.00 H new ATOM 0 HB2 MET A 17 64.250 14.313 -7.551 1.00 1.00 H new ATOM 0 HB3 MET A 17 62.523 14.351 -7.256 1.00 1.00 H new ATOM 0 HG2 MET A 17 62.829 14.651 -4.871 1.00 1.00 H new ATOM 0 HG3 MET A 17 64.524 14.213 -4.956 1.00 1.00 H new ATOM 0 HE1 MET A 17 64.675 17.961 -3.978 1.00 1.00 H new ATOM 0 HE2 MET A 17 63.470 16.746 -3.491 1.00 1.00 H new ATOM 0 HE3 MET A 17 65.188 16.296 -3.611 1.00 1.00 H new ATOM 266 N GLY A 18 62.109 12.342 -4.646 1.00 1.00 N ATOM 267 CA GLY A 18 60.888 11.955 -3.885 1.00 1.00 C ATOM 268 C GLY A 18 61.179 12.035 -2.385 1.00 1.00 C ATOM 269 O GLY A 18 62.184 11.543 -1.913 1.00 1.00 O ATOM 0 H GLY A 18 62.834 12.803 -4.096 1.00 1.00 H new ATOM 0 HA2 GLY A 18 60.061 12.616 -4.142 1.00 1.00 H new ATOM 0 HA3 GLY A 18 60.583 10.944 -4.154 1.00 1.00 H new ATOM 273 N GLY A 19 60.311 12.653 -1.632 1.00 1.00 N ATOM 274 CA GLY A 19 60.546 12.764 -0.165 1.00 1.00 C ATOM 275 C GLY A 19 61.620 13.823 0.096 1.00 1.00 C ATOM 276 O GLY A 19 62.766 13.505 0.345 1.00 1.00 O ATOM 0 H GLY A 19 59.451 13.085 -1.969 1.00 1.00 H new ATOM 0 HA2 GLY A 19 59.621 13.035 0.344 1.00 1.00 H new ATOM 0 HA3 GLY A 19 60.862 11.802 0.238 1.00 1.00 H new ATOM 280 N PRO A 20 61.252 15.075 0.031 1.00 1.00 N ATOM 281 CA PRO A 20 62.198 16.207 0.256 1.00 1.00 C ATOM 282 C PRO A 20 63.057 16.011 1.511 1.00 1.00 C ATOM 283 O PRO A 20 62.789 16.573 2.554 1.00 1.00 O ATOM 284 CB PRO A 20 61.275 17.421 0.410 1.00 1.00 C ATOM 285 CG PRO A 20 60.045 17.072 -0.360 1.00 1.00 C ATOM 286 CD PRO A 20 59.891 15.552 -0.268 1.00 1.00 C ATOM 0 HA PRO A 20 62.915 16.307 -0.559 1.00 1.00 H new ATOM 0 HB2 PRO A 20 61.044 17.610 1.458 1.00 1.00 H new ATOM 0 HB3 PRO A 20 61.743 18.324 0.018 1.00 1.00 H new ATOM 0 HG2 PRO A 20 59.172 17.576 0.054 1.00 1.00 H new ATOM 0 HG3 PRO A 20 60.134 17.391 -1.399 1.00 1.00 H new ATOM 0 HD2 PRO A 20 59.187 15.268 0.515 1.00 1.00 H new ATOM 0 HD3 PRO A 20 59.516 15.131 -1.201 1.00 1.00 H new ATOM 294 N CYS A 21 64.093 15.221 1.415 1.00 1.00 N ATOM 295 CA CYS A 21 64.969 14.997 2.599 1.00 1.00 C ATOM 296 C CYS A 21 65.927 16.180 2.752 1.00 1.00 C ATOM 297 O CYS A 21 66.106 16.966 1.843 1.00 1.00 O ATOM 298 CB CYS A 21 65.774 13.710 2.405 1.00 1.00 C ATOM 299 SG CYS A 21 64.668 12.378 1.877 1.00 1.00 S ATOM 0 H CYS A 21 64.369 14.722 0.569 1.00 1.00 H new ATOM 0 HA CYS A 21 64.354 14.907 3.494 1.00 1.00 H new ATOM 0 HB2 CYS A 21 66.554 13.866 1.660 1.00 1.00 H new ATOM 0 HB3 CYS A 21 66.272 13.436 3.335 1.00 1.00 H new ATOM 304 N THR A 22 66.544 16.317 3.896 1.00 1.00 N ATOM 305 CA THR A 22 67.489 17.453 4.105 1.00 1.00 C ATOM 306 C THR A 22 68.677 16.987 4.957 1.00 1.00 C ATOM 307 O THR A 22 68.597 16.951 6.168 1.00 1.00 O ATOM 308 CB THR A 22 66.762 18.584 4.837 1.00 1.00 C ATOM 309 OG1 THR A 22 65.537 18.864 4.174 1.00 1.00 O ATOM 310 CG2 THR A 22 67.639 19.837 4.844 1.00 1.00 C ATOM 0 H THR A 22 66.434 15.692 4.694 1.00 1.00 H new ATOM 0 HA THR A 22 67.850 17.806 3.139 1.00 1.00 H new ATOM 0 HB THR A 22 66.559 18.281 5.864 1.00 1.00 H new ATOM 0 HG1 THR A 22 65.069 19.587 4.642 1.00 1.00 H new ATOM 0 HG21 THR A 22 67.120 20.641 5.365 1.00 1.00 H new ATOM 0 HG22 THR A 22 68.578 19.621 5.353 1.00 1.00 H new ATOM 0 HG23 THR A 22 67.845 20.143 3.818 1.00 1.00 H new ATOM 318 N PRO A 23 69.775 16.642 4.331 1.00 1.00 N ATOM 319 CA PRO A 23 71.000 16.182 5.053 1.00 1.00 C ATOM 320 C PRO A 23 71.463 17.193 6.108 1.00 1.00 C ATOM 321 O PRO A 23 70.767 18.137 6.425 1.00 1.00 O ATOM 322 CB PRO A 23 72.054 16.046 3.947 1.00 1.00 C ATOM 323 CG PRO A 23 71.280 15.881 2.681 1.00 1.00 C ATOM 324 CD PRO A 23 69.969 16.646 2.873 1.00 1.00 C ATOM 0 HA PRO A 23 70.821 15.255 5.597 1.00 1.00 H new ATOM 0 HB2 PRO A 23 72.695 16.927 3.904 1.00 1.00 H new ATOM 0 HB3 PRO A 23 72.703 15.189 4.126 1.00 1.00 H new ATOM 0 HG2 PRO A 23 71.838 16.274 1.831 1.00 1.00 H new ATOM 0 HG3 PRO A 23 71.089 14.827 2.477 1.00 1.00 H new ATOM 0 HD2 PRO A 23 70.036 17.661 2.480 1.00 1.00 H new ATOM 0 HD3 PRO A 23 69.142 16.159 2.357 1.00 1.00 H new ATOM 332 N ARG A 24 72.636 17.002 6.649 1.00 1.00 N ATOM 333 CA ARG A 24 73.147 17.952 7.677 1.00 1.00 C ATOM 334 C ARG A 24 74.615 17.633 7.978 1.00 1.00 C ATOM 335 O ARG A 24 75.503 18.017 7.243 1.00 1.00 O ATOM 336 CB ARG A 24 72.307 17.823 8.954 1.00 1.00 C ATOM 337 CG ARG A 24 72.707 18.916 9.947 1.00 1.00 C ATOM 338 CD ARG A 24 71.466 19.401 10.700 1.00 1.00 C ATOM 339 NE ARG A 24 70.755 18.232 11.290 1.00 1.00 N ATOM 340 CZ ARG A 24 69.532 18.364 11.725 1.00 1.00 C ATOM 341 NH1 ARG A 24 68.932 19.520 11.644 1.00 1.00 N ATOM 342 NH2 ARG A 24 68.909 17.340 12.242 1.00 1.00 N ATOM 0 H ARG A 24 73.262 16.229 6.423 1.00 1.00 H new ATOM 0 HA ARG A 24 73.073 18.974 7.304 1.00 1.00 H new ATOM 0 HB2 ARG A 24 71.247 17.907 8.714 1.00 1.00 H new ATOM 0 HB3 ARG A 24 72.456 16.840 9.401 1.00 1.00 H new ATOM 0 HG2 ARG A 24 73.445 18.530 10.651 1.00 1.00 H new ATOM 0 HG3 ARG A 24 73.174 19.748 9.420 1.00 1.00 H new ATOM 0 HD2 ARG A 24 71.754 20.100 11.486 1.00 1.00 H new ATOM 0 HD3 ARG A 24 70.803 19.939 10.022 1.00 1.00 H new ATOM 0 HE ARG A 24 71.224 17.329 11.354 1.00 1.00 H new ATOM 0 HH11 ARG A 24 69.419 20.320 11.241 1.00 1.00 H new ATOM 0 HH12 ARG A 24 67.976 19.623 11.984 1.00 1.00 H new ATOM 0 HH21 ARG A 24 69.378 16.437 12.306 1.00 1.00 H new ATOM 0 HH22 ARG A 24 67.953 17.443 12.582 1.00 1.00 H new ATOM 356 N LYS A 25 74.884 16.932 9.049 1.00 1.00 N ATOM 357 CA LYS A 25 76.297 16.594 9.381 1.00 1.00 C ATOM 358 C LYS A 25 76.326 15.333 10.246 1.00 1.00 C ATOM 359 O LYS A 25 75.304 14.857 10.700 1.00 1.00 O ATOM 360 CB LYS A 25 76.931 17.758 10.151 1.00 1.00 C ATOM 361 CG LYS A 25 76.234 17.923 11.503 1.00 1.00 C ATOM 362 CD LYS A 25 77.083 17.275 12.598 1.00 1.00 C ATOM 363 CE LYS A 25 78.186 18.244 13.031 1.00 1.00 C ATOM 364 NZ LYS A 25 77.622 19.247 13.977 1.00 1.00 N ATOM 0 H LYS A 25 74.187 16.580 9.706 1.00 1.00 H new ATOM 0 HA LYS A 25 76.857 16.418 8.463 1.00 1.00 H new ATOM 0 HB2 LYS A 25 77.995 17.572 10.300 1.00 1.00 H new ATOM 0 HB3 LYS A 25 76.846 18.678 9.573 1.00 1.00 H new ATOM 0 HG2 LYS A 25 76.086 18.981 11.721 1.00 1.00 H new ATOM 0 HG3 LYS A 25 75.247 17.462 11.474 1.00 1.00 H new ATOM 0 HD2 LYS A 25 76.457 17.015 13.452 1.00 1.00 H new ATOM 0 HD3 LYS A 25 77.523 16.348 12.231 1.00 1.00 H new ATOM 0 HE2 LYS A 25 79.000 17.697 13.507 1.00 1.00 H new ATOM 0 HE3 LYS A 25 78.606 18.746 12.160 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 78.394 19.809 14.389 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 76.970 19.877 13.467 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 77.108 18.757 14.736 1.00 1.00 H new ATOM 378 N GLY A 26 77.488 14.786 10.482 1.00 1.00 N ATOM 379 CA GLY A 26 77.574 13.558 11.322 1.00 1.00 C ATOM 380 C GLY A 26 79.021 13.340 11.773 1.00 1.00 C ATOM 381 O GLY A 26 79.891 14.143 11.499 1.00 1.00 O ATOM 0 H GLY A 26 78.379 15.136 10.130 1.00 1.00 H new ATOM 0 HA2 GLY A 26 76.923 13.654 12.191 1.00 1.00 H new ATOM 0 HA3 GLY A 26 77.225 12.694 10.756 1.00 1.00 H new ATOM 385 N PRO A 27 79.274 12.256 12.462 1.00 1.00 N ATOM 386 CA PRO A 27 80.639 11.917 12.964 1.00 1.00 C ATOM 387 C PRO A 27 81.608 11.596 11.817 1.00 1.00 C ATOM 388 O PRO A 27 81.217 11.528 10.669 1.00 1.00 O ATOM 389 CB PRO A 27 80.422 10.677 13.853 1.00 1.00 C ATOM 390 CG PRO A 27 78.944 10.543 14.035 1.00 1.00 C ATOM 391 CD PRO A 27 78.287 11.237 12.842 1.00 1.00 C ATOM 0 HA PRO A 27 81.089 12.752 13.501 1.00 1.00 H new ATOM 0 HB2 PRO A 27 80.838 9.785 13.384 1.00 1.00 H new ATOM 0 HB3 PRO A 27 80.923 10.795 14.814 1.00 1.00 H new ATOM 0 HG2 PRO A 27 78.654 9.493 14.079 1.00 1.00 H new ATOM 0 HG3 PRO A 27 78.627 11.001 14.972 1.00 1.00 H new ATOM 0 HD2 PRO A 27 78.094 10.540 12.027 1.00 1.00 H new ATOM 0 HD3 PRO A 27 77.330 11.684 13.113 1.00 1.00 H new ATOM 399 N PRO A 28 82.864 11.396 12.128 1.00 1.00 N ATOM 400 CA PRO A 28 83.905 11.071 11.109 1.00 1.00 C ATOM 401 C PRO A 28 83.455 9.957 10.158 1.00 1.00 C ATOM 402 O PRO A 28 82.491 9.262 10.413 1.00 1.00 O ATOM 403 CB PRO A 28 85.102 10.612 11.945 1.00 1.00 C ATOM 404 CG PRO A 28 84.936 11.289 13.265 1.00 1.00 C ATOM 405 CD PRO A 28 83.431 11.460 13.485 1.00 1.00 C ATOM 0 HA PRO A 28 84.125 11.924 10.468 1.00 1.00 H new ATOM 0 HB2 PRO A 28 85.113 9.528 12.056 1.00 1.00 H new ATOM 0 HB3 PRO A 28 86.044 10.893 11.473 1.00 1.00 H new ATOM 0 HG2 PRO A 28 85.379 10.694 14.064 1.00 1.00 H new ATOM 0 HG3 PRO A 28 85.440 12.255 13.271 1.00 1.00 H new ATOM 0 HD2 PRO A 28 83.029 10.673 14.123 1.00 1.00 H new ATOM 0 HD3 PRO A 28 83.204 12.410 13.968 1.00 1.00 H new ATOM 413 N LYS A 29 84.145 9.783 9.064 1.00 1.00 N ATOM 414 CA LYS A 29 83.758 8.716 8.099 1.00 1.00 C ATOM 415 C LYS A 29 83.484 7.414 8.857 1.00 1.00 C ATOM 416 O LYS A 29 82.818 6.527 8.362 1.00 1.00 O ATOM 417 CB LYS A 29 84.898 8.496 7.097 1.00 1.00 C ATOM 418 CG LYS A 29 84.843 9.576 6.015 1.00 1.00 C ATOM 419 CD LYS A 29 85.096 10.946 6.647 1.00 1.00 C ATOM 420 CE LYS A 29 85.403 11.967 5.549 1.00 1.00 C ATOM 421 NZ LYS A 29 86.601 11.524 4.782 1.00 1.00 N ATOM 0 H LYS A 29 84.961 10.334 8.797 1.00 1.00 H new ATOM 0 HA LYS A 29 82.858 9.019 7.564 1.00 1.00 H new ATOM 0 HB2 LYS A 29 85.859 8.529 7.610 1.00 1.00 H new ATOM 0 HB3 LYS A 29 84.813 7.508 6.644 1.00 1.00 H new ATOM 0 HG2 LYS A 29 85.590 9.375 5.247 1.00 1.00 H new ATOM 0 HG3 LYS A 29 83.870 9.564 5.524 1.00 1.00 H new ATOM 0 HD2 LYS A 29 84.223 11.262 7.218 1.00 1.00 H new ATOM 0 HD3 LYS A 29 85.930 10.887 7.347 1.00 1.00 H new ATOM 0 HE2 LYS A 29 84.547 12.068 4.882 1.00 1.00 H new ATOM 0 HE3 LYS A 29 85.582 12.948 5.989 1.00 1.00 H new ATOM 0 HZ1 LYS A 29 87.208 12.345 4.581 1.00 1.00 H new ATOM 0 HZ2 LYS A 29 87.134 10.828 5.342 1.00 1.00 H new ATOM 0 HZ3 LYS A 29 86.299 11.090 3.887 1.00 1.00 H new ATOM 435 N CYS A 30 83.993 7.290 10.055 1.00 1.00 N ATOM 436 CA CYS A 30 83.758 6.043 10.837 1.00 1.00 C ATOM 437 C CYS A 30 84.296 6.220 12.260 1.00 1.00 C ATOM 438 O CYS A 30 85.465 6.485 12.462 1.00 1.00 O ATOM 439 CB CYS A 30 84.481 4.875 10.161 1.00 1.00 C ATOM 440 SG CYS A 30 83.746 3.313 10.707 1.00 1.00 S ATOM 0 H CYS A 30 84.560 7.997 10.524 1.00 1.00 H new ATOM 0 HA CYS A 30 82.688 5.837 10.877 1.00 1.00 H new ATOM 0 HB2 CYS A 30 84.406 4.965 9.077 1.00 1.00 H new ATOM 0 HB3 CYS A 30 85.542 4.897 10.410 1.00 1.00 H new ATOM 445 N LYS A 31 83.456 6.068 13.250 1.00 1.00 N ATOM 446 CA LYS A 31 83.929 6.222 14.656 1.00 1.00 C ATOM 447 C LYS A 31 82.840 5.746 15.621 1.00 1.00 C ATOM 448 O LYS A 31 83.078 5.567 16.799 1.00 1.00 O ATOM 449 CB LYS A 31 84.254 7.696 14.930 1.00 1.00 C ATOM 450 CG LYS A 31 84.839 7.842 16.336 1.00 1.00 C ATOM 451 CD LYS A 31 83.744 8.308 17.299 1.00 1.00 C ATOM 452 CE LYS A 31 83.645 9.834 17.261 1.00 1.00 C ATOM 453 NZ LYS A 31 84.729 10.423 18.096 1.00 1.00 N ATOM 0 H LYS A 31 82.466 5.845 13.146 1.00 1.00 H new ATOM 0 HA LYS A 31 84.827 5.621 14.803 1.00 1.00 H new ATOM 0 HB2 LYS A 31 84.964 8.066 14.190 1.00 1.00 H new ATOM 0 HB3 LYS A 31 83.352 8.301 14.836 1.00 1.00 H new ATOM 0 HG2 LYS A 31 85.251 6.890 16.671 1.00 1.00 H new ATOM 0 HG3 LYS A 31 85.660 8.559 16.327 1.00 1.00 H new ATOM 0 HD2 LYS A 31 82.788 7.864 17.021 1.00 1.00 H new ATOM 0 HD3 LYS A 31 83.969 7.973 18.312 1.00 1.00 H new ATOM 0 HE2 LYS A 31 83.729 10.189 16.234 1.00 1.00 H new ATOM 0 HE3 LYS A 31 82.671 10.155 17.631 1.00 1.00 H new ATOM 0 HZ1 LYS A 31 84.546 11.437 18.238 1.00 1.00 H new ATOM 0 HZ2 LYS A 31 84.756 9.944 19.019 1.00 1.00 H new ATOM 0 HZ3 LYS A 31 85.643 10.300 17.615 1.00 1.00 H new ATOM 467 N GLN A 32 81.648 5.540 15.133 1.00 1.00 N ATOM 468 CA GLN A 32 80.547 5.076 16.027 1.00 1.00 C ATOM 469 C GLN A 32 80.673 3.570 16.254 1.00 1.00 C ATOM 470 O GLN A 32 81.107 3.123 17.296 1.00 1.00 O ATOM 471 CB GLN A 32 79.195 5.391 15.378 1.00 1.00 C ATOM 472 CG GLN A 32 78.095 5.345 16.441 1.00 1.00 C ATOM 473 CD GLN A 32 78.156 6.613 17.295 1.00 1.00 C ATOM 474 OE1 GLN A 32 77.614 7.635 16.924 1.00 1.00 O ATOM 475 NE2 GLN A 32 78.798 6.589 18.431 1.00 1.00 N ATOM 0 H GLN A 32 81.388 5.672 14.156 1.00 1.00 H new ATOM 0 HA GLN A 32 80.615 5.590 16.986 1.00 1.00 H new ATOM 0 HB2 GLN A 32 79.224 6.376 14.912 1.00 1.00 H new ATOM 0 HB3 GLN A 32 78.982 4.671 14.588 1.00 1.00 H new ATOM 0 HG2 GLN A 32 77.118 5.261 15.965 1.00 1.00 H new ATOM 0 HG3 GLN A 32 78.220 4.464 17.070 1.00 1.00 H new ATOM 0 HE21 GLN A 32 79.253 5.731 18.742 1.00 1.00 H new ATOM 0 HE22 GLN A 32 78.845 7.429 19.008 1.00 1.00 H new ATOM 484 N ARG A 33 80.300 2.792 15.281 1.00 1.00 N ATOM 485 CA ARG A 33 80.394 1.308 15.414 1.00 1.00 C ATOM 486 C ARG A 33 79.328 0.797 16.385 1.00 1.00 C ATOM 487 O ARG A 33 79.506 0.808 17.587 1.00 1.00 O ATOM 488 CB ARG A 33 81.783 0.920 15.925 1.00 1.00 C ATOM 489 CG ARG A 33 82.089 -0.525 15.525 1.00 1.00 C ATOM 490 CD ARG A 33 83.471 -0.918 16.050 1.00 1.00 C ATOM 491 NE ARG A 33 83.650 -2.392 15.922 1.00 1.00 N ATOM 492 CZ ARG A 33 83.894 -2.921 14.755 1.00 1.00 C ATOM 493 NH1 ARG A 33 83.982 -2.160 13.699 1.00 1.00 N ATOM 494 NH2 ARG A 33 84.050 -4.212 14.643 1.00 1.00 N ATOM 0 H ARG A 33 79.930 3.120 14.389 1.00 1.00 H new ATOM 0 HA ARG A 33 80.229 0.856 14.436 1.00 1.00 H new ATOM 0 HB2 ARG A 33 82.535 1.591 15.510 1.00 1.00 H new ATOM 0 HB3 ARG A 33 81.826 1.025 17.009 1.00 1.00 H new ATOM 0 HG2 ARG A 33 81.330 -1.194 15.931 1.00 1.00 H new ATOM 0 HG3 ARG A 33 82.058 -0.628 14.440 1.00 1.00 H new ATOM 0 HD2 ARG A 33 84.247 -0.397 15.489 1.00 1.00 H new ATOM 0 HD3 ARG A 33 83.575 -0.617 17.093 1.00 1.00 H new ATOM 0 HE ARG A 33 83.582 -2.987 16.747 1.00 1.00 H new ATOM 0 HH11 ARG A 33 83.860 -1.151 13.786 1.00 1.00 H new ATOM 0 HH12 ARG A 33 84.173 -2.574 12.787 1.00 1.00 H new ATOM 0 HH21 ARG A 33 83.981 -4.808 15.468 1.00 1.00 H new ATOM 0 HH22 ARG A 33 84.241 -4.625 13.730 1.00 1.00 H new ATOM 508 N GLN A 34 78.230 0.335 15.860 1.00 1.00 N ATOM 509 CA GLN A 34 77.138 -0.201 16.722 1.00 1.00 C ATOM 510 C GLN A 34 76.047 -0.789 15.823 1.00 1.00 C ATOM 511 O GLN A 34 74.927 -1.007 16.241 1.00 1.00 O ATOM 512 CB GLN A 34 76.559 0.920 17.602 1.00 1.00 C ATOM 513 CG GLN A 34 75.639 1.811 16.765 1.00 1.00 C ATOM 514 CD GLN A 34 76.383 2.283 15.515 1.00 1.00 C ATOM 515 OE1 GLN A 34 77.626 2.669 15.617 1.00 1.00 O flip ATOM 516 NE2 GLN A 34 75.828 2.302 14.434 1.00 1.00 N flip ATOM 0 H GLN A 34 78.039 0.305 14.859 1.00 1.00 H new ATOM 0 HA GLN A 34 77.532 -0.978 17.377 1.00 1.00 H new ATOM 0 HB2 GLN A 34 76.004 0.491 18.436 1.00 1.00 H new ATOM 0 HB3 GLN A 34 77.367 1.514 18.029 1.00 1.00 H new ATOM 0 HG2 GLN A 34 74.742 1.260 16.481 1.00 1.00 H new ATOM 0 HG3 GLN A 34 75.313 2.669 17.353 1.00 1.00 H new ATOM 0 HE21 GLN A 34 74.857 2.000 14.354 1.00 1.00 H new ATOM 0 HE22 GLN A 34 76.333 2.619 13.607 1.00 1.00 H new ATOM 525 N THR A 35 76.375 -1.043 14.584 1.00 1.00 N ATOM 526 CA THR A 35 75.382 -1.609 13.636 1.00 1.00 C ATOM 527 C THR A 35 74.600 -2.736 14.306 1.00 1.00 C ATOM 528 O THR A 35 75.028 -3.317 15.284 1.00 1.00 O ATOM 529 CB THR A 35 76.113 -2.161 12.408 1.00 1.00 C ATOM 530 OG1 THR A 35 77.142 -1.259 12.027 1.00 1.00 O ATOM 531 CG2 THR A 35 75.123 -2.327 11.254 1.00 1.00 C ATOM 0 H THR A 35 77.300 -0.879 14.188 1.00 1.00 H new ATOM 0 HA THR A 35 74.689 -0.824 13.334 1.00 1.00 H new ATOM 0 HB THR A 35 76.550 -3.130 12.650 1.00 1.00 H new ATOM 0 HG1 THR A 35 77.135 -1.147 11.053 1.00 1.00 H new ATOM 0 HG21 THR A 35 75.644 -2.720 10.381 1.00 1.00 H new ATOM 0 HG22 THR A 35 74.334 -3.020 11.548 1.00 1.00 H new ATOM 0 HG23 THR A 35 74.684 -1.360 11.010 1.00 1.00 H new ATOM 539 N ARG A 36 73.457 -3.044 13.774 1.00 1.00 N ATOM 540 CA ARG A 36 72.619 -4.131 14.349 1.00 1.00 C ATOM 541 C ARG A 36 73.044 -5.470 13.739 1.00 1.00 C ATOM 542 O ARG A 36 72.445 -6.495 13.994 1.00 1.00 O ATOM 543 CB ARG A 36 71.151 -3.848 14.018 1.00 1.00 C ATOM 544 CG ARG A 36 70.298 -5.067 14.375 1.00 1.00 C ATOM 545 CD ARG A 36 68.848 -4.630 14.591 1.00 1.00 C ATOM 546 NE ARG A 36 68.613 -4.390 16.043 1.00 1.00 N ATOM 547 CZ ARG A 36 67.423 -4.057 16.465 1.00 1.00 C ATOM 548 NH1 ARG A 36 66.440 -3.935 15.615 1.00 1.00 N ATOM 549 NH2 ARG A 36 67.217 -3.847 17.736 1.00 1.00 N ATOM 0 H ARG A 36 73.060 -2.585 12.954 1.00 1.00 H new ATOM 0 HA ARG A 36 72.747 -4.175 15.431 1.00 1.00 H new ATOM 0 HB2 ARG A 36 70.805 -2.975 14.572 1.00 1.00 H new ATOM 0 HB3 ARG A 36 71.045 -3.616 12.958 1.00 1.00 H new ATOM 0 HG2 ARG A 36 70.351 -5.807 13.577 1.00 1.00 H new ATOM 0 HG3 ARG A 36 70.684 -5.543 15.277 1.00 1.00 H new ATOM 0 HD2 ARG A 36 68.642 -3.723 14.023 1.00 1.00 H new ATOM 0 HD3 ARG A 36 68.167 -5.397 14.223 1.00 1.00 H new ATOM 0 HE ARG A 36 69.381 -4.486 16.707 1.00 1.00 H new ATOM 0 HH11 ARG A 36 66.602 -4.100 14.621 1.00 1.00 H new ATOM 0 HH12 ARG A 36 65.510 -3.675 15.944 1.00 1.00 H new ATOM 0 HH21 ARG A 36 67.985 -3.943 18.400 1.00 1.00 H new ATOM 0 HH22 ARG A 36 66.288 -3.587 18.066 1.00 1.00 H new ATOM 563 N GLN A 37 74.077 -5.462 12.935 1.00 1.00 N ATOM 564 CA GLN A 37 74.560 -6.725 12.295 1.00 1.00 C ATOM 565 C GLN A 37 73.727 -7.015 11.042 1.00 1.00 C ATOM 566 O GLN A 37 72.805 -7.807 11.064 1.00 1.00 O ATOM 567 CB GLN A 37 74.442 -7.895 13.286 1.00 1.00 C ATOM 568 CG GLN A 37 75.525 -8.932 12.983 1.00 1.00 C ATOM 569 CD GLN A 37 75.196 -10.241 13.705 1.00 1.00 C ATOM 570 OE1 GLN A 37 75.337 -10.337 14.908 1.00 1.00 O ATOM 571 NE2 GLN A 37 74.759 -11.259 13.016 1.00 1.00 N ATOM 0 H GLN A 37 74.611 -4.628 12.692 1.00 1.00 H new ATOM 0 HA GLN A 37 75.606 -6.608 12.013 1.00 1.00 H new ATOM 0 HB2 GLN A 37 74.547 -7.532 14.308 1.00 1.00 H new ATOM 0 HB3 GLN A 37 73.455 -8.352 13.210 1.00 1.00 H new ATOM 0 HG2 GLN A 37 75.589 -9.103 11.908 1.00 1.00 H new ATOM 0 HG3 GLN A 37 76.498 -8.562 13.305 1.00 1.00 H new ATOM 0 HE21 GLN A 37 74.641 -11.178 12.006 1.00 1.00 H new ATOM 0 HE22 GLN A 37 74.536 -12.136 13.487 1.00 1.00 H new ATOM 580 N CYS A 38 74.048 -6.378 9.945 1.00 1.00 N ATOM 581 CA CYS A 38 73.280 -6.613 8.688 1.00 1.00 C ATOM 582 C CYS A 38 74.030 -7.617 7.811 1.00 1.00 C ATOM 583 O CYS A 38 75.047 -7.304 7.225 1.00 1.00 O ATOM 584 CB CYS A 38 73.127 -5.293 7.928 1.00 1.00 C ATOM 585 SG CYS A 38 72.172 -5.574 6.416 1.00 1.00 S ATOM 0 H CYS A 38 74.810 -5.705 9.867 1.00 1.00 H new ATOM 0 HA CYS A 38 72.295 -7.009 8.935 1.00 1.00 H new ATOM 0 HB2 CYS A 38 72.626 -4.556 8.555 1.00 1.00 H new ATOM 0 HB3 CYS A 38 74.108 -4.887 7.681 1.00 1.00 H new ATOM 590 N LYS A 39 73.531 -8.821 7.714 1.00 1.00 N ATOM 591 CA LYS A 39 74.204 -9.855 6.872 1.00 1.00 C ATOM 592 C LYS A 39 75.651 -10.044 7.336 1.00 1.00 C ATOM 593 O LYS A 39 76.412 -9.103 7.437 1.00 1.00 O ATOM 594 CB LYS A 39 74.191 -9.414 5.404 1.00 1.00 C ATOM 595 CG LYS A 39 72.747 -9.211 4.942 1.00 1.00 C ATOM 596 CD LYS A 39 72.181 -10.539 4.436 1.00 1.00 C ATOM 597 CE LYS A 39 70.668 -10.412 4.249 1.00 1.00 C ATOM 598 NZ LYS A 39 70.013 -10.264 5.580 1.00 1.00 N ATOM 0 H LYS A 39 72.682 -9.135 8.184 1.00 1.00 H new ATOM 0 HA LYS A 39 73.668 -10.799 6.972 1.00 1.00 H new ATOM 0 HB2 LYS A 39 74.754 -8.488 5.287 1.00 1.00 H new ATOM 0 HB3 LYS A 39 74.680 -10.165 4.784 1.00 1.00 H new ATOM 0 HG2 LYS A 39 72.140 -8.835 5.766 1.00 1.00 H new ATOM 0 HG3 LYS A 39 72.709 -8.462 4.151 1.00 1.00 H new ATOM 0 HD2 LYS A 39 72.653 -10.811 3.492 1.00 1.00 H new ATOM 0 HD3 LYS A 39 72.405 -11.336 5.146 1.00 1.00 H new ATOM 0 HE2 LYS A 39 70.439 -9.550 3.622 1.00 1.00 H new ATOM 0 HE3 LYS A 39 70.279 -11.292 3.736 1.00 1.00 H new ATOM 0 HZ1 LYS A 39 69.034 -10.610 5.525 1.00 1.00 H new ATOM 0 HZ2 LYS A 39 70.537 -10.817 6.288 1.00 1.00 H new ATOM 0 HZ3 LYS A 39 70.011 -9.261 5.856 1.00 1.00 H new ATOM 612 N SER A 40 76.038 -11.259 7.616 1.00 1.00 N ATOM 613 CA SER A 40 77.435 -11.512 8.070 1.00 1.00 C ATOM 614 C SER A 40 77.821 -12.957 7.747 1.00 1.00 C ATOM 615 O SER A 40 78.963 -13.350 7.882 1.00 1.00 O ATOM 616 CB SER A 40 77.530 -11.285 9.579 1.00 1.00 C ATOM 617 OG SER A 40 76.581 -12.111 10.239 1.00 1.00 O ATOM 0 H SER A 40 75.447 -12.087 7.550 1.00 1.00 H new ATOM 0 HA SER A 40 78.113 -10.830 7.557 1.00 1.00 H new ATOM 0 HB2 SER A 40 78.536 -11.515 9.930 1.00 1.00 H new ATOM 0 HB3 SER A 40 77.342 -10.237 9.813 1.00 1.00 H new ATOM 0 HG SER A 40 76.641 -11.969 11.207 1.00 1.00 H new ATOM 623 N LYS A 41 76.877 -13.752 7.320 1.00 1.00 N ATOM 624 CA LYS A 41 77.189 -15.171 6.988 1.00 1.00 C ATOM 625 C LYS A 41 77.740 -15.246 5.558 1.00 1.00 C ATOM 626 O LYS A 41 77.385 -14.450 4.712 1.00 1.00 O ATOM 627 CB LYS A 41 75.908 -16.006 7.087 1.00 1.00 C ATOM 628 CG LYS A 41 75.089 -15.541 8.292 1.00 1.00 C ATOM 629 CD LYS A 41 75.953 -15.603 9.553 1.00 1.00 C ATOM 630 CE LYS A 41 75.068 -15.435 10.789 1.00 1.00 C ATOM 631 NZ LYS A 41 75.921 -15.143 11.975 1.00 1.00 N ATOM 0 H LYS A 41 75.903 -13.479 7.187 1.00 1.00 H new ATOM 0 HA LYS A 41 77.931 -15.559 7.685 1.00 1.00 H new ATOM 0 HB2 LYS A 41 75.322 -15.903 6.174 1.00 1.00 H new ATOM 0 HB3 LYS A 41 76.157 -17.062 7.188 1.00 1.00 H new ATOM 0 HG2 LYS A 41 74.733 -14.523 8.132 1.00 1.00 H new ATOM 0 HG3 LYS A 41 74.208 -16.172 8.411 1.00 1.00 H new ATOM 0 HD2 LYS A 41 76.481 -16.555 9.598 1.00 1.00 H new ATOM 0 HD3 LYS A 41 76.710 -14.820 9.526 1.00 1.00 H new ATOM 0 HE2 LYS A 41 74.356 -14.625 10.632 1.00 1.00 H new ATOM 0 HE3 LYS A 41 74.487 -16.342 10.960 1.00 1.00 H new ATOM 0 HZ1 LYS A 41 75.319 -15.029 12.816 1.00 1.00 H new ATOM 0 HZ2 LYS A 41 76.584 -15.930 12.128 1.00 1.00 H new ATOM 0 HZ3 LYS A 41 76.456 -14.266 11.810 1.00 1.00 H new ATOM 645 N PRO A 42 78.599 -16.198 5.285 1.00 1.00 N ATOM 646 CA PRO A 42 79.196 -16.374 3.934 1.00 1.00 C ATOM 647 C PRO A 42 78.182 -16.095 2.817 1.00 1.00 C ATOM 648 O PRO A 42 76.988 -16.194 3.020 1.00 1.00 O ATOM 649 CB PRO A 42 79.619 -17.843 3.932 1.00 1.00 C ATOM 650 CG PRO A 42 79.932 -18.158 5.359 1.00 1.00 C ATOM 651 CD PRO A 42 79.093 -17.214 6.229 1.00 1.00 C ATOM 0 HA PRO A 42 80.018 -15.683 3.747 1.00 1.00 H new ATOM 0 HB2 PRO A 42 78.822 -18.483 3.552 1.00 1.00 H new ATOM 0 HB3 PRO A 42 80.488 -18.003 3.293 1.00 1.00 H new ATOM 0 HG2 PRO A 42 79.697 -19.198 5.583 1.00 1.00 H new ATOM 0 HG3 PRO A 42 80.995 -18.022 5.558 1.00 1.00 H new ATOM 0 HD2 PRO A 42 78.271 -17.742 6.712 1.00 1.00 H new ATOM 0 HD3 PRO A 42 79.692 -16.764 7.021 1.00 1.00 H new ATOM 659 N PRO A 43 78.652 -15.749 1.647 1.00 1.00 N ATOM 660 CA PRO A 43 77.766 -15.451 0.483 1.00 1.00 C ATOM 661 C PRO A 43 77.042 -16.702 -0.024 1.00 1.00 C ATOM 662 O PRO A 43 77.658 -17.688 -0.375 1.00 1.00 O ATOM 663 CB PRO A 43 78.727 -14.911 -0.584 1.00 1.00 C ATOM 664 CG PRO A 43 80.069 -15.454 -0.218 1.00 1.00 C ATOM 665 CD PRO A 43 80.076 -15.608 1.304 1.00 1.00 C ATOM 0 HA PRO A 43 76.975 -14.748 0.744 1.00 1.00 H new ATOM 0 HB2 PRO A 43 78.430 -15.236 -1.581 1.00 1.00 H new ATOM 0 HB3 PRO A 43 78.733 -13.821 -0.592 1.00 1.00 H new ATOM 0 HG2 PRO A 43 80.245 -16.413 -0.706 1.00 1.00 H new ATOM 0 HG3 PRO A 43 80.862 -14.780 -0.543 1.00 1.00 H new ATOM 0 HD2 PRO A 43 80.651 -16.480 1.616 1.00 1.00 H new ATOM 0 HD3 PRO A 43 80.522 -14.741 1.792 1.00 1.00 H new ATOM 673 N LYS A 44 75.737 -16.666 -0.065 1.00 1.00 N ATOM 674 CA LYS A 44 74.968 -17.849 -0.548 1.00 1.00 C ATOM 675 C LYS A 44 74.624 -17.658 -2.028 1.00 1.00 C ATOM 676 O LYS A 44 75.116 -18.363 -2.887 1.00 1.00 O ATOM 677 CB LYS A 44 73.676 -17.984 0.270 1.00 1.00 C ATOM 678 CG LYS A 44 73.271 -19.457 0.353 1.00 1.00 C ATOM 679 CD LYS A 44 73.983 -20.117 1.535 1.00 1.00 C ATOM 680 CE LYS A 44 73.535 -21.575 1.652 1.00 1.00 C ATOM 681 NZ LYS A 44 74.212 -22.389 0.602 1.00 1.00 N ATOM 0 H LYS A 44 75.169 -15.866 0.216 1.00 1.00 H new ATOM 0 HA LYS A 44 75.567 -18.752 -0.429 1.00 1.00 H new ATOM 0 HB2 LYS A 44 73.824 -17.580 1.272 1.00 1.00 H new ATOM 0 HB3 LYS A 44 72.878 -17.403 -0.193 1.00 1.00 H new ATOM 0 HG2 LYS A 44 72.191 -19.542 0.472 1.00 1.00 H new ATOM 0 HG3 LYS A 44 73.531 -19.969 -0.573 1.00 1.00 H new ATOM 0 HD2 LYS A 44 75.063 -20.067 1.396 1.00 1.00 H new ATOM 0 HD3 LYS A 44 73.755 -19.581 2.456 1.00 1.00 H new ATOM 0 HE2 LYS A 44 73.778 -21.963 2.641 1.00 1.00 H new ATOM 0 HE3 LYS A 44 72.453 -21.644 1.540 1.00 1.00 H new ATOM 0 HZ1 LYS A 44 73.974 -23.393 0.734 1.00 1.00 H new ATOM 0 HZ2 LYS A 44 73.893 -22.078 -0.338 1.00 1.00 H new ATOM 0 HZ3 LYS A 44 75.242 -22.265 0.677 1.00 1.00 H new ATOM 695 N LYS A 45 73.784 -16.706 -2.332 1.00 1.00 N ATOM 696 CA LYS A 45 73.407 -16.464 -3.754 1.00 1.00 C ATOM 697 C LYS A 45 74.380 -15.459 -4.373 1.00 1.00 C ATOM 698 O LYS A 45 74.648 -15.488 -5.557 1.00 1.00 O ATOM 699 CB LYS A 45 71.987 -15.895 -3.818 1.00 1.00 C ATOM 700 CG LYS A 45 71.012 -16.871 -3.156 1.00 1.00 C ATOM 701 CD LYS A 45 70.567 -17.920 -4.176 1.00 1.00 C ATOM 702 CE LYS A 45 69.534 -18.849 -3.536 1.00 1.00 C ATOM 703 NZ LYS A 45 69.129 -19.893 -4.519 1.00 1.00 N ATOM 0 H LYS A 45 73.342 -16.084 -1.655 1.00 1.00 H new ATOM 0 HA LYS A 45 73.449 -17.404 -4.304 1.00 1.00 H new ATOM 0 HB2 LYS A 45 71.948 -14.929 -3.314 1.00 1.00 H new ATOM 0 HB3 LYS A 45 71.699 -15.725 -4.855 1.00 1.00 H new ATOM 0 HG2 LYS A 45 71.489 -17.356 -2.304 1.00 1.00 H new ATOM 0 HG3 LYS A 45 70.146 -16.332 -2.772 1.00 1.00 H new ATOM 0 HD2 LYS A 45 70.140 -17.432 -5.052 1.00 1.00 H new ATOM 0 HD3 LYS A 45 71.426 -18.496 -4.519 1.00 1.00 H new ATOM 0 HE2 LYS A 45 69.952 -19.316 -2.645 1.00 1.00 H new ATOM 0 HE3 LYS A 45 68.663 -18.277 -3.217 1.00 1.00 H new ATOM 0 HZ1 LYS A 45 68.427 -20.525 -4.085 1.00 1.00 H new ATOM 0 HZ2 LYS A 45 68.714 -19.438 -5.357 1.00 1.00 H new ATOM 0 HZ3 LYS A 45 69.963 -20.445 -4.802 1.00 1.00 H new ATOM 717 N GLY A 46 74.907 -14.567 -3.580 1.00 1.00 N ATOM 718 CA GLY A 46 75.860 -13.557 -4.121 1.00 1.00 C ATOM 719 C GLY A 46 77.159 -14.247 -4.539 1.00 1.00 C ATOM 720 O GLY A 46 78.218 -13.969 -4.010 1.00 1.00 O ATOM 0 H GLY A 46 74.719 -14.494 -2.580 1.00 1.00 H new ATOM 0 HA2 GLY A 46 75.417 -13.046 -4.976 1.00 1.00 H new ATOM 0 HA3 GLY A 46 76.067 -12.797 -3.367 1.00 1.00 H new ATOM 724 N VAL A 47 77.090 -15.141 -5.487 1.00 1.00 N ATOM 725 CA VAL A 47 78.324 -15.842 -5.940 1.00 1.00 C ATOM 726 C VAL A 47 79.079 -14.946 -6.922 1.00 1.00 C ATOM 727 O VAL A 47 79.871 -15.409 -7.718 1.00 1.00 O ATOM 728 CB VAL A 47 77.942 -17.153 -6.631 1.00 1.00 C ATOM 729 CG1 VAL A 47 77.410 -18.142 -5.592 1.00 1.00 C ATOM 730 CG2 VAL A 47 76.857 -16.880 -7.675 1.00 1.00 C ATOM 0 H VAL A 47 76.233 -15.416 -5.967 1.00 1.00 H new ATOM 0 HA VAL A 47 78.959 -16.059 -5.081 1.00 1.00 H new ATOM 0 HB VAL A 47 78.820 -17.576 -7.119 1.00 1.00 H new ATOM 0 HG11 VAL A 47 77.138 -19.076 -6.084 1.00 1.00 H new ATOM 0 HG12 VAL A 47 78.181 -18.336 -4.846 1.00 1.00 H new ATOM 0 HG13 VAL A 47 76.532 -17.720 -5.104 1.00 1.00 H new ATOM 0 HG21 VAL A 47 76.584 -17.813 -8.168 1.00 1.00 H new ATOM 0 HG22 VAL A 47 75.979 -16.458 -7.186 1.00 1.00 H new ATOM 0 HG23 VAL A 47 77.234 -16.175 -8.416 1.00 1.00 H new ATOM 740 N GLN A 48 78.837 -13.664 -6.873 1.00 1.00 N ATOM 741 CA GLN A 48 79.537 -12.736 -7.805 1.00 1.00 C ATOM 742 C GLN A 48 79.334 -11.292 -7.340 1.00 1.00 C ATOM 743 O GLN A 48 78.237 -10.883 -7.014 1.00 1.00 O ATOM 744 CB GLN A 48 78.962 -12.902 -9.213 1.00 1.00 C ATOM 745 CG GLN A 48 79.884 -12.220 -10.225 1.00 1.00 C ATOM 746 CD GLN A 48 81.182 -13.020 -10.355 1.00 1.00 C ATOM 747 OE1 GLN A 48 81.191 -14.220 -10.165 1.00 1.00 O ATOM 748 NE2 GLN A 48 82.286 -12.401 -10.672 1.00 1.00 N ATOM 0 H GLN A 48 78.184 -13.220 -6.227 1.00 1.00 H new ATOM 0 HA GLN A 48 80.602 -12.967 -7.815 1.00 1.00 H new ATOM 0 HB2 GLN A 48 78.860 -13.960 -9.453 1.00 1.00 H new ATOM 0 HB3 GLN A 48 77.964 -12.467 -9.263 1.00 1.00 H new ATOM 0 HG2 GLN A 48 79.389 -12.150 -11.194 1.00 1.00 H new ATOM 0 HG3 GLN A 48 80.103 -11.201 -9.904 1.00 1.00 H new ATOM 0 HE21 GLN A 48 82.278 -11.394 -10.831 1.00 1.00 H new ATOM 0 HE22 GLN A 48 83.157 -12.925 -10.760 1.00 1.00 H new ATOM 757 N GLY A 49 80.384 -10.517 -7.307 1.00 1.00 N ATOM 758 CA GLY A 49 80.250 -9.099 -6.866 1.00 1.00 C ATOM 759 C GLY A 49 80.179 -9.040 -5.339 1.00 1.00 C ATOM 760 O GLY A 49 79.503 -8.205 -4.772 1.00 1.00 O ATOM 0 H GLY A 49 81.328 -10.804 -7.566 1.00 1.00 H new ATOM 0 HA2 GLY A 49 81.098 -8.515 -7.223 1.00 1.00 H new ATOM 0 HA3 GLY A 49 79.353 -8.656 -7.299 1.00 1.00 H new ATOM 764 N CYS A 50 80.872 -9.919 -4.667 1.00 1.00 N ATOM 765 CA CYS A 50 80.841 -9.910 -3.178 1.00 1.00 C ATOM 766 C CYS A 50 82.091 -10.610 -2.637 1.00 1.00 C ATOM 767 O CYS A 50 82.521 -10.362 -1.528 1.00 1.00 O ATOM 768 CB CYS A 50 79.591 -10.645 -2.689 1.00 1.00 C ATOM 769 SG CYS A 50 79.241 -10.167 -0.979 1.00 1.00 S ATOM 0 H CYS A 50 81.458 -10.642 -5.085 1.00 1.00 H new ATOM 0 HA CYS A 50 80.819 -8.880 -2.821 1.00 1.00 H new ATOM 0 HB2 CYS A 50 78.741 -10.403 -3.327 1.00 1.00 H new ATOM 0 HB3 CYS A 50 79.741 -11.723 -2.753 1.00 1.00 H new ATOM 774 N GLY A 51 82.677 -11.481 -3.412 1.00 1.00 N ATOM 775 CA GLY A 51 83.898 -12.193 -2.941 1.00 1.00 C ATOM 776 C GLY A 51 85.040 -11.190 -2.771 1.00 1.00 C ATOM 777 O GLY A 51 85.589 -10.690 -3.733 1.00 1.00 O ATOM 0 H GLY A 51 82.363 -11.730 -4.350 1.00 1.00 H new ATOM 0 HA2 GLY A 51 83.697 -12.695 -1.995 1.00 1.00 H new ATOM 0 HA3 GLY A 51 84.181 -12.964 -3.657 1.00 1.00 H new ATOM 781 N ASP A 52 85.402 -10.889 -1.553 1.00 1.00 N ATOM 782 CA ASP A 52 86.507 -9.916 -1.323 1.00 1.00 C ATOM 783 C ASP A 52 87.132 -10.169 0.050 1.00 1.00 C ATOM 784 O ASP A 52 86.691 -11.020 0.798 1.00 1.00 O ATOM 785 CB ASP A 52 85.950 -8.492 -1.371 1.00 1.00 C ATOM 786 CG ASP A 52 85.465 -8.181 -2.788 1.00 1.00 C ATOM 787 OD1 ASP A 52 86.277 -7.749 -3.589 1.00 1.00 O ATOM 788 OD2 ASP A 52 84.289 -8.379 -3.048 1.00 1.00 O ATOM 0 H ASP A 52 84.980 -11.275 -0.708 1.00 1.00 H new ATOM 0 HA ASP A 52 87.265 -10.038 -2.097 1.00 1.00 H new ATOM 0 HB2 ASP A 52 85.128 -8.388 -0.663 1.00 1.00 H new ATOM 0 HB3 ASP A 52 86.719 -7.779 -1.074 1.00 1.00 H new ATOM 793 N ASP A 53 88.157 -9.436 0.389 1.00 1.00 N ATOM 794 CA ASP A 53 88.809 -9.633 1.714 1.00 1.00 C ATOM 795 C ASP A 53 87.957 -8.976 2.802 1.00 1.00 C ATOM 796 O ASP A 53 88.417 -8.730 3.899 1.00 1.00 O ATOM 797 CB ASP A 53 90.199 -8.992 1.701 1.00 1.00 C ATOM 798 CG ASP A 53 91.100 -9.744 0.719 1.00 1.00 C ATOM 799 OD1 ASP A 53 90.785 -10.881 0.409 1.00 1.00 O ATOM 800 OD2 ASP A 53 92.089 -9.170 0.294 1.00 1.00 O ATOM 0 H ASP A 53 88.571 -8.709 -0.195 1.00 1.00 H new ATOM 0 HA ASP A 53 88.903 -10.700 1.917 1.00 1.00 H new ATOM 0 HB2 ASP A 53 90.125 -7.943 1.413 1.00 1.00 H new ATOM 0 HB3 ASP A 53 90.632 -9.018 2.701 1.00 1.00 H new ATOM 805 N ILE A 54 86.719 -8.688 2.505 1.00 1.00 N ATOM 806 CA ILE A 54 85.836 -8.045 3.520 1.00 1.00 C ATOM 807 C ILE A 54 84.409 -8.578 3.369 1.00 1.00 C ATOM 808 O ILE A 54 83.557 -7.932 2.790 1.00 1.00 O ATOM 809 CB ILE A 54 85.837 -6.530 3.306 1.00 1.00 C ATOM 810 CG1 ILE A 54 87.279 -6.038 3.159 1.00 1.00 C ATOM 811 CG2 ILE A 54 85.186 -5.843 4.508 1.00 1.00 C ATOM 812 CD1 ILE A 54 87.295 -4.509 3.118 1.00 1.00 C ATOM 0 H ILE A 54 86.280 -8.870 1.602 1.00 1.00 H new ATOM 0 HA ILE A 54 86.205 -8.274 4.520 1.00 1.00 H new ATOM 0 HB ILE A 54 85.275 -6.291 2.403 1.00 1.00 H new ATOM 0 HG12 ILE A 54 87.883 -6.396 3.992 1.00 1.00 H new ATOM 0 HG13 ILE A 54 87.721 -6.441 2.248 1.00 1.00 H new ATOM 0 HG21 ILE A 54 85.187 -4.764 4.355 1.00 1.00 H new ATOM 0 HG22 ILE A 54 84.159 -6.193 4.615 1.00 1.00 H new ATOM 0 HG23 ILE A 54 85.747 -6.082 5.411 1.00 1.00 H new ATOM 0 HD11 ILE A 54 88.322 -4.159 3.013 1.00 1.00 H new ATOM 0 HD12 ILE A 54 86.705 -4.162 2.270 1.00 1.00 H new ATOM 0 HD13 ILE A 54 86.870 -4.116 4.041 1.00 1.00 H new ATOM 824 N PRO A 55 84.149 -9.750 3.887 1.00 1.00 N ATOM 825 CA PRO A 55 82.806 -10.384 3.813 1.00 1.00 C ATOM 826 C PRO A 55 81.866 -9.867 4.908 1.00 1.00 C ATOM 827 O PRO A 55 81.568 -10.559 5.861 1.00 1.00 O ATOM 828 CB PRO A 55 83.111 -11.868 4.018 1.00 1.00 C ATOM 829 CG PRO A 55 84.333 -11.898 4.877 1.00 1.00 C ATOM 830 CD PRO A 55 85.111 -10.606 4.601 1.00 1.00 C ATOM 0 HA PRO A 55 82.295 -10.168 2.875 1.00 1.00 H new ATOM 0 HB2 PRO A 55 82.278 -12.379 4.500 1.00 1.00 H new ATOM 0 HB3 PRO A 55 83.285 -12.370 3.066 1.00 1.00 H new ATOM 0 HG2 PRO A 55 84.062 -11.966 5.930 1.00 1.00 H new ATOM 0 HG3 PRO A 55 84.943 -12.771 4.648 1.00 1.00 H new ATOM 0 HD2 PRO A 55 85.449 -10.139 5.526 1.00 1.00 H new ATOM 0 HD3 PRO A 55 85.998 -10.797 3.998 1.00 1.00 H new ATOM 838 N GLY A 56 81.402 -8.655 4.779 1.00 1.00 N ATOM 839 CA GLY A 56 80.487 -8.094 5.813 1.00 1.00 C ATOM 840 C GLY A 56 81.234 -7.980 7.143 1.00 1.00 C ATOM 841 O GLY A 56 81.238 -8.894 7.943 1.00 1.00 O ATOM 0 H GLY A 56 81.617 -8.029 4.003 1.00 1.00 H new ATOM 0 HA2 GLY A 56 80.125 -7.114 5.501 1.00 1.00 H new ATOM 0 HA3 GLY A 56 79.613 -8.735 5.928 1.00 1.00 H new ATOM 845 N MET A 57 81.870 -6.866 7.384 1.00 1.00 N ATOM 846 CA MET A 57 82.618 -6.697 8.661 1.00 1.00 C ATOM 847 C MET A 57 81.625 -6.532 9.815 1.00 1.00 C ATOM 848 O MET A 57 81.750 -5.642 10.632 1.00 1.00 O ATOM 849 CB MET A 57 83.515 -5.456 8.567 1.00 1.00 C ATOM 850 CG MET A 57 84.766 -5.662 9.424 1.00 1.00 C ATOM 851 SD MET A 57 84.291 -6.352 11.028 1.00 1.00 S ATOM 852 CE MET A 57 85.808 -7.291 11.329 1.00 1.00 C ATOM 0 H MET A 57 81.904 -6.066 6.752 1.00 1.00 H new ATOM 0 HA MET A 57 83.237 -7.576 8.841 1.00 1.00 H new ATOM 0 HB2 MET A 57 83.798 -5.277 7.530 1.00 1.00 H new ATOM 0 HB3 MET A 57 82.971 -4.575 8.906 1.00 1.00 H new ATOM 0 HG2 MET A 57 85.460 -6.334 8.918 1.00 1.00 H new ATOM 0 HG3 MET A 57 85.285 -4.714 9.563 1.00 1.00 H new ATOM 0 HE1 MET A 57 85.732 -7.807 12.286 1.00 1.00 H new ATOM 0 HE2 MET A 57 85.948 -8.022 10.532 1.00 1.00 H new ATOM 0 HE3 MET A 57 86.659 -6.610 11.350 1.00 1.00 H new ATOM 862 N GLU A 58 80.638 -7.382 9.887 1.00 1.00 N ATOM 863 CA GLU A 58 79.642 -7.270 10.988 1.00 1.00 C ATOM 864 C GLU A 58 79.075 -5.849 11.013 1.00 1.00 C ATOM 865 O GLU A 58 78.678 -5.346 12.045 1.00 1.00 O ATOM 866 CB GLU A 58 80.327 -7.575 12.324 1.00 1.00 C ATOM 867 CG GLU A 58 79.276 -7.996 13.353 1.00 1.00 C ATOM 868 CD GLU A 58 79.965 -8.349 14.672 1.00 1.00 C ATOM 869 OE1 GLU A 58 80.847 -7.608 15.074 1.00 1.00 O ATOM 870 OE2 GLU A 58 79.599 -9.354 15.259 1.00 1.00 O ATOM 0 H GLU A 58 80.479 -8.148 9.232 1.00 1.00 H new ATOM 0 HA GLU A 58 78.832 -7.981 10.826 1.00 1.00 H new ATOM 0 HB2 GLU A 58 81.063 -8.369 12.195 1.00 1.00 H new ATOM 0 HB3 GLU A 58 80.866 -6.696 12.678 1.00 1.00 H new ATOM 0 HG2 GLU A 58 78.561 -7.188 13.509 1.00 1.00 H new ATOM 0 HG3 GLU A 58 78.713 -8.853 12.984 1.00 1.00 H new ATOM 877 N GLY A 59 79.036 -5.198 9.883 1.00 1.00 N ATOM 878 CA GLY A 59 78.497 -3.810 9.840 1.00 1.00 C ATOM 879 C GLY A 59 79.619 -2.818 10.150 1.00 1.00 C ATOM 880 O GLY A 59 80.752 -3.197 10.372 1.00 1.00 O ATOM 0 H GLY A 59 79.354 -5.568 8.987 1.00 1.00 H new ATOM 0 HA2 GLY A 59 78.075 -3.603 8.857 1.00 1.00 H new ATOM 0 HA3 GLY A 59 77.689 -3.700 10.563 1.00 1.00 H new ATOM 884 N CYS A 60 79.313 -1.549 10.167 1.00 1.00 N ATOM 885 CA CYS A 60 80.362 -0.533 10.462 1.00 1.00 C ATOM 886 C CYS A 60 79.714 0.698 11.096 1.00 1.00 C ATOM 887 O CYS A 60 80.030 1.822 10.760 1.00 1.00 O ATOM 888 CB CYS A 60 81.061 -0.130 9.163 1.00 1.00 C ATOM 889 SG CYS A 60 81.587 -1.617 8.275 1.00 1.00 S ATOM 0 HA CYS A 60 81.093 -0.955 11.152 1.00 1.00 H new ATOM 0 HB2 CYS A 60 80.386 0.458 8.541 1.00 1.00 H new ATOM 0 HB3 CYS A 60 81.923 0.500 9.382 1.00 1.00 H new ATOM 894 N GLY A 61 78.808 0.494 12.011 1.00 1.00 N ATOM 895 CA GLY A 61 78.138 1.650 12.668 1.00 1.00 C ATOM 896 C GLY A 61 77.103 2.253 11.718 1.00 1.00 C ATOM 897 O GLY A 61 77.038 3.452 11.537 1.00 1.00 O ATOM 0 H GLY A 61 78.502 -0.425 12.332 1.00 1.00 H new ATOM 0 HA2 GLY A 61 77.655 1.327 13.590 1.00 1.00 H new ATOM 0 HA3 GLY A 61 78.877 2.403 12.942 1.00 1.00 H new ATOM 901 N THR A 62 76.294 1.431 11.108 1.00 1.00 N ATOM 902 CA THR A 62 75.266 1.961 10.168 1.00 1.00 C ATOM 903 C THR A 62 74.127 0.959 10.027 1.00 1.00 C ATOM 904 O THR A 62 74.047 0.226 9.061 1.00 1.00 O ATOM 905 CB THR A 62 75.899 2.193 8.794 1.00 1.00 C ATOM 906 OG1 THR A 62 76.628 1.036 8.409 1.00 1.00 O ATOM 907 CG2 THR A 62 76.843 3.395 8.861 1.00 1.00 C ATOM 0 H THR A 62 76.300 0.417 11.219 1.00 1.00 H new ATOM 0 HA THR A 62 74.878 2.901 10.560 1.00 1.00 H new ATOM 0 HB THR A 62 75.116 2.390 8.062 1.00 1.00 H new ATOM 0 HG21 THR A 62 77.293 3.559 7.882 1.00 1.00 H new ATOM 0 HG22 THR A 62 76.282 4.282 9.156 1.00 1.00 H new ATOM 0 HG23 THR A 62 77.627 3.201 9.593 1.00 1.00 H new ATOM 915 N ASP A 63 73.230 0.935 10.969 1.00 1.00 N ATOM 916 CA ASP A 63 72.085 -0.003 10.866 1.00 1.00 C ATOM 917 C ASP A 63 71.175 0.481 9.740 1.00 1.00 C ATOM 918 O ASP A 63 70.026 0.100 9.652 1.00 1.00 O ATOM 919 CB ASP A 63 71.309 -0.017 12.185 1.00 1.00 C ATOM 920 CG ASP A 63 70.139 -0.997 12.079 1.00 1.00 C ATOM 921 OD1 ASP A 63 70.219 -1.898 11.261 1.00 1.00 O ATOM 922 OD2 ASP A 63 69.183 -0.830 12.819 1.00 1.00 O ATOM 0 H ASP A 63 73.241 1.523 11.803 1.00 1.00 H new ATOM 0 HA ASP A 63 72.441 -1.012 10.658 1.00 1.00 H new ATOM 0 HB2 ASP A 63 71.968 -0.308 13.003 1.00 1.00 H new ATOM 0 HB3 ASP A 63 70.940 0.983 12.413 1.00 1.00 H new ATOM 927 N ILE A 64 71.694 1.328 8.882 1.00 1.00 N ATOM 928 CA ILE A 64 70.887 1.866 7.749 1.00 1.00 C ATOM 929 C ILE A 64 69.450 2.088 8.214 1.00 1.00 C ATOM 930 O ILE A 64 68.508 2.017 7.452 1.00 1.00 O ATOM 931 CB ILE A 64 70.969 0.881 6.572 1.00 1.00 C ATOM 932 CG1 ILE A 64 71.000 1.662 5.256 1.00 1.00 C ATOM 933 CG2 ILE A 64 69.746 -0.038 6.588 1.00 1.00 C ATOM 934 CD1 ILE A 64 69.726 2.499 5.129 1.00 1.00 C ATOM 0 H ILE A 64 72.654 1.671 8.922 1.00 1.00 H new ATOM 0 HA ILE A 64 71.276 2.827 7.414 1.00 1.00 H new ATOM 0 HB ILE A 64 71.875 0.282 6.663 1.00 1.00 H new ATOM 0 HG12 ILE A 64 71.877 2.308 5.225 1.00 1.00 H new ATOM 0 HG13 ILE A 64 71.081 0.974 4.414 1.00 1.00 H new ATOM 0 HG21 ILE A 64 69.805 -0.736 5.753 1.00 1.00 H new ATOM 0 HG22 ILE A 64 69.721 -0.594 7.525 1.00 1.00 H new ATOM 0 HG23 ILE A 64 68.840 0.561 6.497 1.00 1.00 H new ATOM 0 HD11 ILE A 64 69.748 3.055 4.192 1.00 1.00 H new ATOM 0 HD12 ILE A 64 68.856 1.842 5.141 1.00 1.00 H new ATOM 0 HD13 ILE A 64 69.665 3.197 5.964 1.00 1.00 H new ATOM 946 N THR A 65 69.293 2.374 9.476 1.00 1.00 N ATOM 947 CA THR A 65 67.933 2.626 10.036 1.00 1.00 C ATOM 948 C THR A 65 67.917 4.027 10.633 1.00 1.00 C ATOM 949 O THR A 65 66.885 4.655 10.763 1.00 1.00 O ATOM 950 CB THR A 65 67.627 1.598 11.129 1.00 1.00 C ATOM 951 OG1 THR A 65 67.884 0.292 10.633 1.00 1.00 O ATOM 952 CG2 THR A 65 66.158 1.710 11.541 1.00 1.00 C ATOM 0 H THR A 65 70.055 2.445 10.151 1.00 1.00 H new ATOM 0 HA THR A 65 67.181 2.540 9.252 1.00 1.00 H new ATOM 0 HB THR A 65 68.260 1.789 11.996 1.00 1.00 H new ATOM 0 HG1 THR A 65 68.767 0.271 10.208 1.00 1.00 H new ATOM 0 HG21 THR A 65 65.941 0.978 12.319 1.00 1.00 H new ATOM 0 HG22 THR A 65 65.962 2.712 11.922 1.00 1.00 H new ATOM 0 HG23 THR A 65 65.522 1.520 10.676 1.00 1.00 H new ATOM 960 N VAL A 66 69.069 4.520 10.988 1.00 1.00 N ATOM 961 CA VAL A 66 69.160 5.883 11.572 1.00 1.00 C ATOM 962 C VAL A 66 70.534 6.468 11.239 1.00 1.00 C ATOM 963 O VAL A 66 70.763 7.652 11.382 1.00 1.00 O ATOM 964 CB VAL A 66 68.988 5.804 13.095 1.00 1.00 C ATOM 965 CG1 VAL A 66 67.502 5.889 13.447 1.00 1.00 C ATOM 966 CG2 VAL A 66 69.556 4.477 13.603 1.00 1.00 C ATOM 0 H VAL A 66 69.960 4.031 10.897 1.00 1.00 H new ATOM 0 HA VAL A 66 68.376 6.518 11.159 1.00 1.00 H new ATOM 0 HB VAL A 66 69.520 6.632 13.564 1.00 1.00 H new ATOM 0 HG11 VAL A 66 67.381 5.833 14.529 1.00 1.00 H new ATOM 0 HG12 VAL A 66 67.096 6.833 13.085 1.00 1.00 H new ATOM 0 HG13 VAL A 66 66.969 5.061 12.979 1.00 1.00 H new ATOM 0 HG21 VAL A 66 69.435 4.420 14.685 1.00 1.00 H new ATOM 0 HG22 VAL A 66 69.024 3.650 13.134 1.00 1.00 H new ATOM 0 HG23 VAL A 66 70.615 4.415 13.353 1.00 1.00 H new ATOM 976 N ILE A 67 71.454 5.646 10.793 1.00 1.00 N ATOM 977 CA ILE A 67 72.811 6.162 10.450 1.00 1.00 C ATOM 978 C ILE A 67 73.266 5.556 9.122 1.00 1.00 C ATOM 979 O ILE A 67 73.869 4.502 9.085 1.00 1.00 O ATOM 980 CB ILE A 67 73.800 5.780 11.552 1.00 1.00 C ATOM 981 CG1 ILE A 67 73.269 6.265 12.903 1.00 1.00 C ATOM 982 CG2 ILE A 67 75.154 6.435 11.273 1.00 1.00 C ATOM 983 CD1 ILE A 67 74.216 5.813 14.016 1.00 1.00 C ATOM 0 H ILE A 67 71.322 4.644 10.653 1.00 1.00 H new ATOM 0 HA ILE A 67 72.773 7.248 10.360 1.00 1.00 H new ATOM 0 HB ILE A 67 73.918 4.697 11.574 1.00 1.00 H new ATOM 0 HG12 ILE A 67 73.183 7.352 12.903 1.00 1.00 H new ATOM 0 HG13 ILE A 67 72.270 5.866 13.077 1.00 1.00 H new ATOM 0 HG21 ILE A 67 75.859 6.163 12.059 1.00 1.00 H new ATOM 0 HG22 ILE A 67 75.533 6.091 10.310 1.00 1.00 H new ATOM 0 HG23 ILE A 67 75.036 7.518 11.251 1.00 1.00 H new ATOM 0 HD11 ILE A 67 73.838 6.158 14.978 1.00 1.00 H new ATOM 0 HD12 ILE A 67 74.279 4.725 14.020 1.00 1.00 H new ATOM 0 HD13 ILE A 67 75.207 6.233 13.844 1.00 1.00 H new ATOM 995 N CYS A 68 72.988 6.216 8.032 1.00 1.00 N ATOM 996 CA CYS A 68 73.410 5.682 6.706 1.00 1.00 C ATOM 997 C CYS A 68 74.739 6.332 6.303 1.00 1.00 C ATOM 998 O CYS A 68 74.970 7.495 6.568 1.00 1.00 O ATOM 999 CB CYS A 68 72.332 6.008 5.666 1.00 1.00 C ATOM 1000 SG CYS A 68 73.098 6.193 4.036 1.00 1.00 S ATOM 0 H CYS A 68 72.486 7.103 8.002 1.00 1.00 H new ATOM 0 HA CYS A 68 73.540 4.601 6.762 1.00 1.00 H new ATOM 0 HB2 CYS A 68 71.585 5.214 5.640 1.00 1.00 H new ATOM 0 HB3 CYS A 68 71.812 6.926 5.941 1.00 1.00 H new ATOM 1005 N PRO A 69 75.614 5.591 5.667 1.00 1.00 N ATOM 1006 CA PRO A 69 76.938 6.114 5.227 1.00 1.00 C ATOM 1007 C PRO A 69 76.852 7.537 4.665 1.00 1.00 C ATOM 1008 O PRO A 69 77.728 8.352 4.873 1.00 1.00 O ATOM 1009 CB PRO A 69 77.360 5.134 4.132 1.00 1.00 C ATOM 1010 CG PRO A 69 76.699 3.841 4.487 1.00 1.00 C ATOM 1011 CD PRO A 69 75.439 4.178 5.293 1.00 1.00 C ATOM 0 HA PRO A 69 77.642 6.181 6.056 1.00 1.00 H new ATOM 0 HB2 PRO A 69 77.043 5.482 3.149 1.00 1.00 H new ATOM 0 HB3 PRO A 69 78.444 5.026 4.097 1.00 1.00 H new ATOM 0 HG2 PRO A 69 76.441 3.282 3.588 1.00 1.00 H new ATOM 0 HG3 PRO A 69 77.372 3.213 5.071 1.00 1.00 H new ATOM 0 HD2 PRO A 69 74.536 4.032 4.700 1.00 1.00 H new ATOM 0 HD3 PRO A 69 75.348 3.542 6.173 1.00 1.00 H new ATOM 1019 N TRP A 70 75.807 7.836 3.944 1.00 1.00 N ATOM 1020 CA TRP A 70 75.668 9.198 3.356 1.00 1.00 C ATOM 1021 C TRP A 70 75.627 10.248 4.471 1.00 1.00 C ATOM 1022 O TRP A 70 75.820 11.424 4.233 1.00 1.00 O ATOM 1023 CB TRP A 70 74.376 9.262 2.538 1.00 1.00 C ATOM 1024 CG TRP A 70 74.207 10.635 1.971 1.00 1.00 C ATOM 1025 CD1 TRP A 70 75.215 11.498 1.711 1.00 1.00 C ATOM 1026 CD2 TRP A 70 72.976 11.317 1.590 1.00 1.00 C ATOM 1027 NE1 TRP A 70 74.684 12.665 1.196 1.00 1.00 N ATOM 1028 CE2 TRP A 70 73.308 12.604 1.101 1.00 1.00 C ATOM 1029 CE3 TRP A 70 71.620 10.950 1.621 1.00 1.00 C ATOM 1030 CZ2 TRP A 70 72.326 13.494 0.658 1.00 1.00 C ATOM 1031 CZ3 TRP A 70 70.631 11.840 1.177 1.00 1.00 C ATOM 1032 CH2 TRP A 70 70.982 13.109 0.697 1.00 1.00 C ATOM 0 H TRP A 70 75.042 7.194 3.736 1.00 1.00 H new ATOM 0 HA TRP A 70 76.522 9.403 2.710 1.00 1.00 H new ATOM 0 HB2 TRP A 70 74.406 8.527 1.734 1.00 1.00 H new ATOM 0 HB3 TRP A 70 73.523 9.010 3.168 1.00 1.00 H new ATOM 0 HD1 TRP A 70 76.265 11.306 1.879 1.00 1.00 H new ATOM 0 HE1 TRP A 70 75.241 13.474 0.920 1.00 1.00 H new ATOM 0 HE3 TRP A 70 71.337 9.975 1.990 1.00 1.00 H new ATOM 0 HZ2 TRP A 70 72.602 14.471 0.289 1.00 1.00 H new ATOM 0 HZ3 TRP A 70 69.592 11.545 1.205 1.00 1.00 H new ATOM 0 HH2 TRP A 70 70.215 13.789 0.357 1.00 1.00 H new ATOM 1043 N GLU A 71 75.380 9.837 5.685 1.00 1.00 N ATOM 1044 CA GLU A 71 75.329 10.818 6.807 1.00 1.00 C ATOM 1045 C GLU A 71 76.751 11.133 7.275 1.00 1.00 C ATOM 1046 O GLU A 71 77.155 12.278 7.338 1.00 1.00 O ATOM 1047 CB GLU A 71 74.534 10.226 7.972 1.00 1.00 C ATOM 1048 CG GLU A 71 73.043 10.227 7.627 1.00 1.00 C ATOM 1049 CD GLU A 71 72.235 9.805 8.855 1.00 1.00 C ATOM 1050 OE1 GLU A 71 72.839 9.591 9.893 1.00 1.00 O ATOM 1051 OE2 GLU A 71 71.025 9.701 8.736 1.00 1.00 O ATOM 0 H GLU A 71 75.212 8.866 5.948 1.00 1.00 H new ATOM 0 HA GLU A 71 74.845 11.732 6.464 1.00 1.00 H new ATOM 0 HB2 GLU A 71 74.870 9.209 8.176 1.00 1.00 H new ATOM 0 HB3 GLU A 71 74.709 10.807 8.878 1.00 1.00 H new ATOM 0 HG2 GLU A 71 72.735 11.220 7.300 1.00 1.00 H new ATOM 0 HG3 GLU A 71 72.850 9.545 6.799 1.00 1.00 H new ATOM 1058 N ALA A 72 77.513 10.128 7.607 1.00 1.00 N ATOM 1059 CA ALA A 72 78.906 10.371 8.075 1.00 1.00 C ATOM 1060 C ALA A 72 79.777 10.801 6.893 1.00 1.00 C ATOM 1061 O ALA A 72 80.650 11.636 7.024 1.00 1.00 O ATOM 1062 CB ALA A 72 79.471 9.086 8.685 1.00 1.00 C ATOM 0 H ALA A 72 77.231 9.148 7.574 1.00 1.00 H new ATOM 0 HA ALA A 72 78.902 11.160 8.827 1.00 1.00 H new ATOM 0 HB1 ALA A 72 80.490 9.263 9.028 1.00 1.00 H new ATOM 0 HB2 ALA A 72 78.852 8.781 9.529 1.00 1.00 H new ATOM 0 HB3 ALA A 72 79.473 8.297 7.933 1.00 1.00 H new ATOM 1068 N CYS A 73 79.550 10.236 5.738 1.00 1.00 N ATOM 1069 CA CYS A 73 80.368 10.613 4.551 1.00 1.00 C ATOM 1070 C CYS A 73 79.849 11.928 3.966 1.00 1.00 C ATOM 1071 O CYS A 73 80.500 12.554 3.153 1.00 1.00 O ATOM 1072 CB CYS A 73 80.271 9.511 3.494 1.00 1.00 C ATOM 1073 SG CYS A 73 81.138 8.035 4.081 1.00 1.00 S ATOM 0 H CYS A 73 78.834 9.530 5.566 1.00 1.00 H new ATOM 0 HA CYS A 73 81.408 10.737 4.853 1.00 1.00 H new ATOM 0 HB2 CYS A 73 79.226 9.276 3.293 1.00 1.00 H new ATOM 0 HB3 CYS A 73 80.707 9.853 2.555 1.00 1.00 H new ATOM 1078 N ASN A 74 78.679 12.349 4.373 1.00 1.00 N ATOM 1079 CA ASN A 74 78.107 13.624 3.845 1.00 1.00 C ATOM 1080 C ASN A 74 78.413 13.750 2.349 1.00 1.00 C ATOM 1081 O ASN A 74 78.035 12.911 1.557 1.00 1.00 O ATOM 1082 CB ASN A 74 78.718 14.811 4.597 1.00 1.00 C ATOM 1083 CG ASN A 74 80.243 14.689 4.593 1.00 1.00 C ATOM 1084 OD1 ASN A 74 80.895 15.101 3.654 1.00 1.00 O ATOM 1085 ND2 ASN A 74 80.844 14.137 5.612 1.00 1.00 N ATOM 0 H ASN A 74 78.093 11.862 5.051 1.00 1.00 H new ATOM 0 HA ASN A 74 77.027 13.620 3.990 1.00 1.00 H new ATOM 0 HB2 ASN A 74 78.416 15.747 4.127 1.00 1.00 H new ATOM 0 HB3 ASN A 74 78.347 14.835 5.622 1.00 1.00 H new ATOM 0 HD21 ASN A 74 81.860 14.052 5.620 1.00 1.00 H new ATOM 0 HD22 ASN A 74 80.297 13.791 6.400 1.00 1.00 H new ATOM 1092 N HIS A 75 79.096 14.791 1.958 1.00 1.00 N ATOM 1093 CA HIS A 75 79.426 14.964 0.516 1.00 1.00 C ATOM 1094 C HIS A 75 80.121 13.703 0.000 1.00 1.00 C ATOM 1095 O HIS A 75 80.765 12.989 0.743 1.00 1.00 O ATOM 1096 CB HIS A 75 80.358 16.166 0.348 1.00 1.00 C ATOM 1097 CG HIS A 75 80.433 16.544 -1.106 1.00 1.00 C ATOM 1098 ND1 HIS A 75 79.310 16.579 -1.919 1.00 1.00 N ATOM 1099 CD2 HIS A 75 81.488 16.908 -1.907 1.00 1.00 C ATOM 1100 CE1 HIS A 75 79.709 16.950 -3.149 1.00 1.00 C ATOM 1101 NE2 HIS A 75 81.026 17.162 -3.194 1.00 1.00 N ATOM 0 H HIS A 75 79.439 15.528 2.574 1.00 1.00 H new ATOM 0 HA HIS A 75 78.510 15.133 -0.051 1.00 1.00 H new ATOM 0 HB2 HIS A 75 79.992 17.008 0.935 1.00 1.00 H new ATOM 0 HB3 HIS A 75 81.352 15.924 0.723 1.00 1.00 H new ATOM 0 HD2 HIS A 75 82.517 16.985 -1.587 1.00 1.00 H new ATOM 0 HE1 HIS A 75 79.046 17.062 -3.994 1.00 1.00 H new ATOM 0 HE2 HIS A 75 81.578 17.450 -4.002 1.00 1.00 H new ATOM 1110 N CYS A 76 79.996 13.423 -1.268 1.00 1.00 N ATOM 1111 CA CYS A 76 80.650 12.207 -1.831 1.00 1.00 C ATOM 1112 C CYS A 76 80.899 12.411 -3.327 1.00 1.00 C ATOM 1113 O CYS A 76 79.983 12.625 -4.096 1.00 1.00 O ATOM 1114 CB CYS A 76 79.738 10.996 -1.624 1.00 1.00 C ATOM 1115 SG CYS A 76 78.047 11.422 -2.110 1.00 1.00 S ATOM 0 H CYS A 76 79.470 13.983 -1.939 1.00 1.00 H new ATOM 0 HA CYS A 76 81.600 12.036 -1.325 1.00 1.00 H new ATOM 0 HB2 CYS A 76 80.096 10.153 -2.215 1.00 1.00 H new ATOM 0 HB3 CYS A 76 79.760 10.685 -0.579 1.00 1.00 H new ATOM 1120 N GLU A 77 82.134 12.350 -3.745 1.00 1.00 N ATOM 1121 CA GLU A 77 82.444 12.545 -5.189 1.00 1.00 C ATOM 1122 C GLU A 77 81.861 11.390 -6.005 1.00 1.00 C ATOM 1123 O GLU A 77 82.015 10.234 -5.664 1.00 1.00 O ATOM 1124 CB GLU A 77 83.962 12.590 -5.383 1.00 1.00 C ATOM 1125 CG GLU A 77 84.549 13.732 -4.551 1.00 1.00 C ATOM 1126 CD GLU A 77 86.077 13.684 -4.624 1.00 1.00 C ATOM 1127 OE1 GLU A 77 86.596 13.629 -5.726 1.00 1.00 O ATOM 1128 OE2 GLU A 77 86.701 13.703 -3.576 1.00 1.00 O ATOM 0 H GLU A 77 82.942 12.173 -3.148 1.00 1.00 H new ATOM 0 HA GLU A 77 82.004 13.483 -5.527 1.00 1.00 H new ATOM 0 HB2 GLU A 77 84.406 11.641 -5.082 1.00 1.00 H new ATOM 0 HB3 GLU A 77 84.201 12.734 -6.437 1.00 1.00 H new ATOM 0 HG2 GLU A 77 84.187 14.690 -4.923 1.00 1.00 H new ATOM 0 HG3 GLU A 77 84.221 13.647 -3.515 1.00 1.00 H new ATOM 1135 N LEU A 78 81.194 11.695 -7.084 1.00 1.00 N ATOM 1136 CA LEU A 78 80.604 10.618 -7.928 1.00 1.00 C ATOM 1137 C LEU A 78 81.733 9.826 -8.592 1.00 1.00 C ATOM 1138 O LEU A 78 81.556 8.696 -9.000 1.00 1.00 O ATOM 1139 CB LEU A 78 79.714 11.253 -9.003 1.00 1.00 C ATOM 1140 CG LEU A 78 78.980 10.157 -9.778 1.00 1.00 C ATOM 1141 CD1 LEU A 78 77.869 9.570 -8.906 1.00 1.00 C ATOM 1142 CD2 LEU A 78 78.369 10.754 -11.047 1.00 1.00 C ATOM 0 H LEU A 78 81.032 12.645 -7.418 1.00 1.00 H new ATOM 0 HA LEU A 78 80.005 9.947 -7.312 1.00 1.00 H new ATOM 0 HB2 LEU A 78 78.995 11.929 -8.541 1.00 1.00 H new ATOM 0 HB3 LEU A 78 80.320 11.850 -9.684 1.00 1.00 H new ATOM 0 HG LEU A 78 79.684 9.369 -10.047 1.00 1.00 H new ATOM 0 HD11 LEU A 78 77.347 8.789 -9.459 1.00 1.00 H new ATOM 0 HD12 LEU A 78 78.303 9.145 -8.001 1.00 1.00 H new ATOM 0 HD13 LEU A 78 77.164 10.357 -8.636 1.00 1.00 H new ATOM 0 HD21 LEU A 78 77.846 9.974 -11.600 1.00 1.00 H new ATOM 0 HD22 LEU A 78 77.666 11.541 -10.776 1.00 1.00 H new ATOM 0 HD23 LEU A 78 79.160 11.172 -11.670 1.00 1.00 H new ATOM 1154 N HIS A 79 82.896 10.412 -8.703 1.00 1.00 N ATOM 1155 CA HIS A 79 84.036 9.693 -9.343 1.00 1.00 C ATOM 1156 C HIS A 79 85.346 10.106 -8.669 1.00 1.00 C ATOM 1157 O HIS A 79 85.667 11.273 -8.572 1.00 1.00 O ATOM 1158 CB HIS A 79 84.094 10.053 -10.831 1.00 1.00 C ATOM 1159 CG HIS A 79 83.042 9.278 -11.576 1.00 1.00 C ATOM 1160 ND1 HIS A 79 81.689 9.549 -11.440 1.00 1.00 N ATOM 1161 CD2 HIS A 79 83.129 8.236 -12.468 1.00 1.00 C ATOM 1162 CE1 HIS A 79 81.020 8.690 -12.230 1.00 1.00 C ATOM 1163 NE2 HIS A 79 81.850 7.870 -12.877 1.00 1.00 N ATOM 0 H HIS A 79 83.105 11.356 -8.379 1.00 1.00 H new ATOM 0 HA HIS A 79 83.894 8.618 -9.232 1.00 1.00 H new ATOM 0 HB2 HIS A 79 83.935 11.123 -10.964 1.00 1.00 H new ATOM 0 HB3 HIS A 79 85.081 9.826 -11.233 1.00 1.00 H new ATOM 0 HD2 HIS A 79 84.047 7.773 -12.800 1.00 1.00 H new ATOM 0 HE1 HIS A 79 79.945 8.667 -12.328 1.00 1.00 H new ATOM 0 HE2 HIS A 79 81.600 7.130 -13.533 1.00 1.00 H new ATOM 1172 N GLU A 80 86.107 9.152 -8.206 1.00 1.00 N ATOM 1173 CA GLU A 80 87.401 9.478 -7.542 1.00 1.00 C ATOM 1174 C GLU A 80 88.329 8.268 -7.638 1.00 1.00 C ATOM 1175 O GLU A 80 89.292 8.268 -8.379 1.00 1.00 O ATOM 1176 CB GLU A 80 87.150 9.818 -6.069 1.00 1.00 C ATOM 1177 CG GLU A 80 88.391 10.492 -5.481 1.00 1.00 C ATOM 1178 CD GLU A 80 89.517 9.464 -5.349 1.00 1.00 C ATOM 1179 OE1 GLU A 80 89.405 8.599 -4.495 1.00 1.00 O ATOM 1180 OE2 GLU A 80 90.471 9.559 -6.103 1.00 1.00 O ATOM 0 H GLU A 80 85.887 8.157 -8.259 1.00 1.00 H new ATOM 0 HA GLU A 80 87.862 10.335 -8.034 1.00 1.00 H new ATOM 0 HB2 GLU A 80 86.288 10.479 -5.979 1.00 1.00 H new ATOM 0 HB3 GLU A 80 86.917 8.912 -5.510 1.00 1.00 H new ATOM 0 HG2 GLU A 80 88.709 11.315 -6.122 1.00 1.00 H new ATOM 0 HG3 GLU A 80 88.158 10.919 -4.506 1.00 1.00 H new ATOM 1187 N LEU A 81 88.045 7.233 -6.897 1.00 1.00 N ATOM 1188 CA LEU A 81 88.908 6.019 -6.948 1.00 1.00 C ATOM 1189 C LEU A 81 88.407 5.082 -8.053 1.00 1.00 C ATOM 1190 O LEU A 81 89.063 4.125 -8.413 1.00 1.00 O ATOM 1191 CB LEU A 81 88.869 5.302 -5.590 1.00 1.00 C ATOM 1192 CG LEU A 81 87.532 4.577 -5.426 1.00 1.00 C ATOM 1193 CD1 LEU A 81 87.497 3.870 -4.070 1.00 1.00 C ATOM 1194 CD2 LEU A 81 86.390 5.593 -5.499 1.00 1.00 C ATOM 0 H LEU A 81 87.252 7.175 -6.258 1.00 1.00 H new ATOM 0 HA LEU A 81 89.936 6.310 -7.166 1.00 1.00 H new ATOM 0 HB2 LEU A 81 89.691 4.589 -5.521 1.00 1.00 H new ATOM 0 HB3 LEU A 81 89.004 6.023 -4.784 1.00 1.00 H new ATOM 0 HG LEU A 81 87.418 3.842 -6.222 1.00 1.00 H new ATOM 0 HD11 LEU A 81 86.544 3.354 -3.953 1.00 1.00 H new ATOM 0 HD12 LEU A 81 88.311 3.147 -4.016 1.00 1.00 H new ATOM 0 HD13 LEU A 81 87.611 4.605 -3.273 1.00 1.00 H new ATOM 0 HD21 LEU A 81 85.437 5.078 -5.382 1.00 1.00 H new ATOM 0 HD22 LEU A 81 86.505 6.328 -4.702 1.00 1.00 H new ATOM 0 HD23 LEU A 81 86.414 6.098 -6.465 1.00 1.00 H new ATOM 1206 N ALA A 82 87.249 5.352 -8.592 1.00 1.00 N ATOM 1207 CA ALA A 82 86.704 4.480 -9.673 1.00 1.00 C ATOM 1208 C ALA A 82 87.608 4.572 -10.904 1.00 1.00 C ATOM 1209 O ALA A 82 88.433 5.457 -11.015 1.00 1.00 O ATOM 1210 CB ALA A 82 85.292 4.942 -10.041 1.00 1.00 C ATOM 0 H ALA A 82 86.656 6.140 -8.330 1.00 1.00 H new ATOM 0 HA ALA A 82 86.667 3.448 -9.324 1.00 1.00 H new ATOM 0 HB1 ALA A 82 84.895 4.304 -10.831 1.00 1.00 H new ATOM 0 HB2 ALA A 82 84.648 4.877 -9.164 1.00 1.00 H new ATOM 0 HB3 ALA A 82 85.326 5.974 -10.391 1.00 1.00 H new ATOM 1216 N GLN A 83 87.461 3.665 -11.832 1.00 1.00 N ATOM 1217 CA GLN A 83 88.315 3.706 -13.053 1.00 1.00 C ATOM 1218 C GLN A 83 87.705 2.812 -14.134 1.00 1.00 C ATOM 1219 O GLN A 83 87.688 3.154 -15.300 1.00 1.00 O ATOM 1220 CB GLN A 83 89.719 3.205 -12.710 1.00 1.00 C ATOM 1221 CG GLN A 83 90.669 3.512 -13.869 1.00 1.00 C ATOM 1222 CD GLN A 83 90.953 5.014 -13.914 1.00 1.00 C ATOM 1223 OE1 GLN A 83 90.252 5.758 -14.572 1.00 1.00 O ATOM 1224 NE2 GLN A 83 91.958 5.496 -13.236 1.00 1.00 N ATOM 0 H GLN A 83 86.788 2.899 -11.797 1.00 1.00 H new ATOM 0 HA GLN A 83 88.374 4.731 -13.420 1.00 1.00 H new ATOM 0 HB2 GLN A 83 90.075 3.684 -11.798 1.00 1.00 H new ATOM 0 HB3 GLN A 83 89.697 2.132 -12.519 1.00 1.00 H new ATOM 0 HG2 GLN A 83 91.600 2.959 -13.746 1.00 1.00 H new ATOM 0 HG3 GLN A 83 90.227 3.187 -14.811 1.00 1.00 H new ATOM 0 HE21 GLN A 83 92.547 4.872 -12.684 1.00 1.00 H new ATOM 0 HE22 GLN A 83 92.155 6.497 -13.258 1.00 1.00 H new ATOM 1233 N TYR A 84 87.203 1.667 -13.760 1.00 1.00 N ATOM 1234 CA TYR A 84 86.597 0.755 -14.772 1.00 1.00 C ATOM 1235 C TYR A 84 85.781 -0.328 -14.057 1.00 1.00 C ATOM 1236 O TYR A 84 85.846 -1.494 -14.395 1.00 1.00 O ATOM 1237 CB TYR A 84 87.717 0.108 -15.603 1.00 1.00 C ATOM 1238 CG TYR A 84 87.282 0.002 -17.045 1.00 1.00 C ATOM 1239 CD1 TYR A 84 86.014 -0.503 -17.359 1.00 1.00 C ATOM 1240 CD2 TYR A 84 88.146 0.409 -18.069 1.00 1.00 C ATOM 1241 CE1 TYR A 84 85.611 -0.601 -18.696 1.00 1.00 C ATOM 1242 CE2 TYR A 84 87.743 0.311 -19.406 1.00 1.00 C ATOM 1243 CZ TYR A 84 86.475 -0.194 -19.719 1.00 1.00 C ATOM 1244 OH TYR A 84 86.078 -0.290 -21.037 1.00 1.00 O ATOM 0 H TYR A 84 87.186 1.324 -12.800 1.00 1.00 H new ATOM 0 HA TYR A 84 85.938 1.319 -15.433 1.00 1.00 H new ATOM 0 HB2 TYR A 84 88.627 0.703 -15.530 1.00 1.00 H new ATOM 0 HB3 TYR A 84 87.950 -0.881 -15.209 1.00 1.00 H new ATOM 0 HD1 TYR A 84 85.347 -0.817 -16.570 1.00 1.00 H new ATOM 0 HD2 TYR A 84 89.124 0.799 -17.827 1.00 1.00 H new ATOM 0 HE1 TYR A 84 84.633 -0.991 -18.938 1.00 1.00 H new ATOM 0 HE2 TYR A 84 88.410 0.625 -20.196 1.00 1.00 H new ATOM 0 HH TYR A 84 86.796 0.036 -21.619 1.00 1.00 H new ATOM 1254 N GLY A 85 85.009 0.047 -13.074 1.00 1.00 N ATOM 1255 CA GLY A 85 84.189 -0.960 -12.345 1.00 1.00 C ATOM 1256 C GLY A 85 85.103 -1.909 -11.565 1.00 1.00 C ATOM 1257 O GLY A 85 85.083 -3.107 -11.767 1.00 1.00 O ATOM 0 H GLY A 85 84.911 1.007 -12.745 1.00 1.00 H new ATOM 0 HA2 GLY A 85 83.503 -0.458 -11.662 1.00 1.00 H new ATOM 0 HA3 GLY A 85 83.580 -1.525 -13.050 1.00 1.00 H new ATOM 1261 N ILE A 86 85.900 -1.388 -10.673 1.00 1.00 N ATOM 1262 CA ILE A 86 86.807 -2.268 -9.883 1.00 1.00 C ATOM 1263 C ILE A 86 85.979 -3.080 -8.880 1.00 1.00 C ATOM 1264 O ILE A 86 86.465 -3.498 -7.849 1.00 1.00 O ATOM 1265 CB ILE A 86 87.836 -1.402 -9.142 1.00 1.00 C ATOM 1266 CG1 ILE A 86 88.965 -2.291 -8.617 1.00 1.00 C ATOM 1267 CG2 ILE A 86 87.158 -0.695 -7.967 1.00 1.00 C ATOM 1268 CD1 ILE A 86 90.192 -1.431 -8.310 1.00 1.00 C ATOM 0 H ILE A 86 85.962 -0.393 -10.457 1.00 1.00 H new ATOM 0 HA ILE A 86 87.332 -2.953 -10.548 1.00 1.00 H new ATOM 0 HB ILE A 86 88.245 -0.659 -9.826 1.00 1.00 H new ATOM 0 HG12 ILE A 86 88.641 -2.815 -7.718 1.00 1.00 H new ATOM 0 HG13 ILE A 86 89.217 -3.052 -9.356 1.00 1.00 H new ATOM 0 HG21 ILE A 86 87.889 -0.080 -7.441 1.00 1.00 H new ATOM 0 HG22 ILE A 86 86.352 -0.062 -8.339 1.00 1.00 H new ATOM 0 HG23 ILE A 86 86.749 -1.438 -7.282 1.00 1.00 H new ATOM 0 HD11 ILE A 86 90.996 -2.065 -7.936 1.00 1.00 H new ATOM 0 HD12 ILE A 86 90.520 -0.927 -9.219 1.00 1.00 H new ATOM 0 HD13 ILE A 86 89.935 -0.687 -7.556 1.00 1.00 H new ATOM 1280 N CYS A 87 84.727 -3.302 -9.178 1.00 1.00 N ATOM 1281 CA CYS A 87 83.861 -4.080 -8.249 1.00 1.00 C ATOM 1282 C CYS A 87 84.513 -5.433 -7.954 1.00 1.00 C ATOM 1283 CB CYS A 87 82.493 -4.302 -8.900 1.00 1.00 C ATOM 1284 SG CYS A 87 81.385 -5.125 -7.729 1.00 1.00 S ATOM 0 H CYS A 87 84.266 -2.976 -10.028 1.00 1.00 H new ATOM 0 HA CYS A 87 83.737 -3.529 -7.317 1.00 1.00 H new ATOM 0 HB2 CYS A 87 82.067 -3.347 -9.208 1.00 1.00 H new ATOM 0 HB3 CYS A 87 82.602 -4.908 -9.800 1.00 1.00 H new TER 1289 CYS A 87 HETATM 1290 C1C RCY A 110 64.017 2.731 -12.443 1.00 1.00 C HETATM 1291 O1G RCY A 110 59.561 4.934 -14.807 1.00 1.00 O HETATM 1292 O1H RCY A 110 63.383 2.171 -15.046 1.00 1.00 O HETATM 1293 O1J RCY A 110 63.475 3.610 -9.614 1.00 1.00 O HETATM 1294 C1L RCY A 110 60.424 3.413 -16.519 1.00 1.00 C HETATM 1295 C1M RCY A 110 60.950 4.793 -12.246 1.00 1.00 C HETATM 1296 C1P RCY A 110 60.445 4.165 -15.182 1.00 1.00 C HETATM 1297 C1Q RCY A 110 62.478 2.951 -15.336 1.00 1.00 C HETATM 1298 N1R RCY A 110 61.699 3.839 -14.373 1.00 1.00 N HETATM 1299 C1S RCY A 110 61.928 3.208 -16.728 1.00 1.00 C HETATM 1300 C1U RCY A 110 62.085 4.284 -12.961 1.00 1.00 C HETATM 1301 C1V RCY A 110 61.630 1.934 -12.136 1.00 1.00 C HETATM 1302 N1V RCY A 110 62.538 3.789 -10.719 1.00 1.00 N HETATM 1303 C1W RCY A 110 61.296 4.677 -10.757 1.00 1.00 C HETATM 1304 C1X RCY A 110 62.582 3.131 -12.091 1.00 1.00 C HETATM 1305 C1Y RCY A 110 60.146 4.022 -9.986 1.00 1.00 C HETATM 1306 C1Z RCY A 110 61.638 6.041 -10.158 1.00 1.00 C HETATM 0 H1ZB RCY A 110 62.496 6.463 -10.681 1.00 1.00 H new HETATM 0 H1ZA RCY A 110 60.784 6.709 -10.264 1.00 1.00 H new HETATM 0 H1YB RCY A 110 59.245 4.627 -10.093 1.00 1.00 H new HETATM 0 H1YA RCY A 110 59.963 3.024 -10.384 1.00 1.00 H new HETATM 0 H1VB RCY A 110 61.629 1.507 -13.139 1.00 1.00 H new HETATM 0 H1VA RCY A 110 61.959 1.180 -11.421 1.00 1.00 H new HETATM 0 H1MA RCY A 110 60.750 5.829 -12.520 1.00 1.00 H new HETATM 0 H1LA RCY A 110 59.879 2.471 -16.460 1.00 1.00 H new HETATM 0 H1CB RCY A 110 64.062 2.417 -13.486 1.00 1.00 H new HETATM 0 H1CA RCY A 110 64.680 3.583 -12.292 1.00 1.00 H new HETATM 0 H1Z RCY A 110 61.879 5.924 -9.101 1.00 1.00 H new HETATM 0 H1Y RCY A 110 60.411 3.948 -8.931 1.00 1.00 H new HETATM 0 H1V RCY A 110 60.622 2.261 -11.880 1.00 1.00 H new HETATM 0 H1U RCY A 110 62.862 5.032 -13.118 1.00 1.00 H new HETATM 0 H1S RCY A 110 62.389 4.086 -17.180 1.00 1.00 H new HETATM 0 H1M RCY A 110 60.052 4.222 -12.483 1.00 1.00 H new HETATM 0 H1L RCY A 110 59.967 3.996 -17.319 1.00 1.00 H new HETATM 0 H1C RCY A 110 64.333 1.908 -11.802 1.00 1.00 H new HETATM 1309 C1C RCY A 121 64.568 7.659 -1.431 1.00 1.00 C HETATM 1310 O1G RCY A 121 68.242 8.732 2.461 1.00 1.00 O HETATM 1311 O1H RCY A 121 64.035 9.750 0.571 1.00 1.00 O HETATM 1312 O1J RCY A 121 64.469 4.649 -1.414 1.00 1.00 O HETATM 1313 C1L RCY A 121 66.782 10.692 2.581 1.00 1.00 C HETATM 1314 C1M RCY A 121 66.381 6.277 1.484 1.00 1.00 C HETATM 1315 C1P RCY A 121 67.207 9.296 2.108 1.00 1.00 C HETATM 1316 C1Q RCY A 121 65.194 9.837 0.975 1.00 1.00 C HETATM 1317 N1R RCY A 121 66.187 8.694 1.144 1.00 1.00 N HETATM 1318 C1S RCY A 121 65.900 11.112 1.400 1.00 1.00 C HETATM 1319 C1U RCY A 121 66.159 7.303 0.507 1.00 1.00 C HETATM 1320 C1V RCY A 121 63.658 7.217 0.893 1.00 1.00 C HETATM 1321 N1V RCY A 121 64.974 5.457 -0.308 1.00 1.00 N HETATM 1322 C1W RCY A 121 65.796 4.989 0.891 1.00 1.00 C HETATM 1323 C1X RCY A 121 64.798 6.954 -0.093 1.00 1.00 C HETATM 1324 C1Y RCY A 121 64.899 4.284 1.913 1.00 1.00 C HETATM 1325 C1Z RCY A 121 66.900 4.050 0.405 1.00 1.00 C HETATM 0 H1ZB RCY A 121 67.490 4.549 -0.364 1.00 1.00 H new HETATM 0 H1ZA RCY A 121 67.546 3.784 1.242 1.00 1.00 H new HETATM 0 H1YB RCY A 121 65.484 4.031 2.797 1.00 1.00 H new HETATM 0 H1YA RCY A 121 64.080 4.946 2.196 1.00 1.00 H new HETATM 0 H1VB RCY A 121 63.579 8.288 1.081 1.00 1.00 H new HETATM 0 H1VA RCY A 121 62.721 6.852 0.472 1.00 1.00 H new HETATM 0 H1MA RCY A 121 67.445 6.162 1.693 1.00 1.00 H new HETATM 0 H1LA RCY A 121 66.233 10.665 3.523 1.00 1.00 H new HETATM 0 H1CB RCY A 121 64.610 8.738 -1.286 1.00 1.00 H new HETATM 0 H1CA RCY A 121 65.340 7.358 -2.139 1.00 1.00 H new HETATM 0 H1Z RCY A 121 66.453 3.147 -0.010 1.00 1.00 H new HETATM 0 H1Y RCY A 121 64.493 3.373 1.474 1.00 1.00 H new HETATM 0 H1V RCY A 121 63.861 6.698 1.830 1.00 1.00 H new HETATM 0 H1U RCY A 121 66.936 7.341 -0.256 1.00 1.00 H new HETATM 0 H1S RCY A 121 66.497 11.524 0.587 1.00 1.00 H new HETATM 0 H1M RCY A 121 65.896 6.526 2.428 1.00 1.00 H new HETATM 0 H1L RCY A 121 67.631 11.360 2.726 1.00 1.00 H new HETATM 0 H1C RCY A 121 63.589 7.384 -1.824 1.00 1.00 H new HETATM 1328 C1C RCY A 130 78.557 3.414 6.690 1.00 1.00 C HETATM 1329 O1G RCY A 130 79.732 4.809 7.869 1.00 1.00 O HETATM 1330 O1H RCY A 130 81.714 1.177 10.145 1.00 1.00 O HETATM 1331 O1J RCY A 130 80.231 1.415 5.183 1.00 1.00 O HETATM 1332 C1L RCY A 130 81.865 4.525 9.034 1.00 1.00 C HETATM 1333 C1M RCY A 130 79.223 0.409 8.744 1.00 1.00 C HETATM 1334 C1P RCY A 130 80.481 4.094 8.533 1.00 1.00 C HETATM 1335 C1Q RCY A 130 81.343 2.308 9.836 1.00 1.00 C HETATM 1336 N1R RCY A 130 80.147 2.666 8.962 1.00 1.00 N HETATM 1337 C1S RCY A 130 81.997 3.611 10.257 1.00 1.00 C HETATM 1338 C1U RCY A 130 78.931 1.807 8.611 1.00 1.00 C HETATM 1339 C1V RCY A 130 77.127 1.331 6.898 1.00 1.00 C HETATM 1340 N1V RCY A 130 79.587 1.142 6.465 1.00 1.00 N HETATM 1341 C1W RCY A 130 79.854 -0.024 7.415 1.00 1.00 C HETATM 1342 C1X RCY A 130 78.500 1.957 7.153 1.00 1.00 C HETATM 1343 C1Y RCY A 130 79.189 -1.301 6.894 1.00 1.00 C HETATM 1344 C1Z RCY A 130 81.363 -0.221 7.554 1.00 1.00 C HETATM 0 H1VA RCY A 130 76.907 1.359 5.831 1.00 1.00 H new HETATM 0 H1MA RCY A 130 79.905 0.231 9.575 1.00 1.00 H new HETATM 0 H1LA RCY A 130 82.649 4.351 8.297 1.00 1.00 H new HETATM 0 H1CA RCY A 130 79.577 3.786 6.785 1.00 1.00 H new HETATM 0 H1Z RCY A 130 81.780 -0.528 6.595 1.00 1.00 H new HETATM 0 H1U RCY A 130 78.155 2.148 9.296 1.00 1.00 H new HETATM 0 H1S RCY A 130 81.501 4.040 11.128 1.00 1.00 H new HETATM 0 H1M RCY A 130 78.316 -0.160 8.948 1.00 1.00 H new HETATM 0 H1L RCY A 130 81.903 5.582 9.297 1.00 1.00 H new HETATM 1347 C1C RCY A 138 77.023 -2.074 3.604 1.00 1.00 C HETATM 1348 O1G RCY A 138 75.427 -1.945 4.794 1.00 1.00 O HETATM 1349 O1H RCY A 138 74.440 -6.562 4.715 1.00 1.00 O HETATM 1350 O1J RCY A 138 78.801 -3.076 5.818 1.00 1.00 O HETATM 1351 C1L RCY A 138 73.735 -3.315 5.911 1.00 1.00 C HETATM 1352 C1M RCY A 138 77.224 -5.769 3.588 1.00 1.00 C HETATM 1353 C1P RCY A 138 74.911 -3.049 4.962 1.00 1.00 C HETATM 1354 C1Q RCY A 138 74.329 -5.337 4.732 1.00 1.00 C HETATM 1355 N1R RCY A 138 75.360 -4.324 4.251 1.00 1.00 N HETATM 1356 C1S RCY A 138 73.132 -4.554 5.239 1.00 1.00 C HETATM 1357 C1U RCY A 138 76.540 -4.540 3.301 1.00 1.00 C HETATM 1358 C1V RCY A 138 78.638 -3.533 2.305 1.00 1.00 C HETATM 1359 N1V RCY A 138 78.268 -3.919 4.751 1.00 1.00 N HETATM 1360 C1W RCY A 138 78.235 -5.445 4.696 1.00 1.00 C HETATM 1361 C1X RCY A 138 77.622 -3.472 3.447 1.00 1.00 C HETATM 1362 C1Y RCY A 138 79.618 -5.998 4.340 1.00 1.00 C HETATM 1363 C1Z RCY A 138 77.770 -5.985 6.048 1.00 1.00 C HETATM 0 H1ZB RCY A 138 76.813 -5.534 6.310 1.00 1.00 H new HETATM 0 H1ZA RCY A 138 77.657 -7.067 5.988 1.00 1.00 H new HETATM 0 H1YB RCY A 138 79.558 -7.080 4.222 1.00 1.00 H new HETATM 0 H1YA RCY A 138 79.960 -5.550 3.407 1.00 1.00 H new HETATM 0 H1MA RCY A 138 76.523 -6.538 3.913 1.00 1.00 H new HETATM 0 H1LA RCY A 138 74.059 -3.511 6.933 1.00 1.00 H new HETATM 0 H1Z RCY A 138 78.508 -5.739 6.811 1.00 1.00 H new HETATM 0 H1Y RCY A 138 80.322 -5.759 5.137 1.00 1.00 H new HETATM 0 H1U RCY A 138 76.091 -4.523 2.308 1.00 1.00 H new HETATM 0 H1S RCY A 138 72.465 -4.277 4.423 1.00 1.00 H new HETATM 0 H1M RCY A 138 77.728 -6.151 2.700 1.00 1.00 H new HETATM 0 H1L RCY A 138 73.035 -2.480 5.953 1.00 1.00 H new HETATM 1366 C1C RCY A 150 82.520 -5.528 -0.133 1.00 1.00 C HETATM 1367 O1G RCY A 150 78.407 -5.102 -1.201 1.00 1.00 O HETATM 1368 O1H RCY A 150 80.511 -8.567 1.221 1.00 1.00 O HETATM 1369 O1J RCY A 150 81.272 -3.249 -1.656 1.00 1.00 O HETATM 1370 C1L RCY A 150 78.401 -7.539 -1.417 1.00 1.00 C HETATM 1371 C1M RCY A 150 79.475 -4.290 1.569 1.00 1.00 C HETATM 1372 C1P RCY A 150 78.820 -6.193 -0.813 1.00 1.00 C HETATM 1373 C1Q RCY A 150 80.057 -7.881 0.307 1.00 1.00 C HETATM 1374 N1R RCY A 150 79.815 -6.376 0.332 1.00 1.00 N HETATM 1375 C1S RCY A 150 79.631 -8.381 -1.062 1.00 1.00 C HETATM 1376 C1U RCY A 150 80.420 -5.328 1.268 1.00 1.00 C HETATM 1377 C1V RCY A 150 82.366 -3.761 1.679 1.00 1.00 C HETATM 1378 N1V RCY A 150 80.858 -3.663 -0.318 1.00 1.00 N HETATM 1379 C1W RCY A 150 79.585 -3.269 0.429 1.00 1.00 C HETATM 1380 C1X RCY A 150 81.598 -4.584 0.642 1.00 1.00 C HETATM 1381 C1Y RCY A 150 79.711 -1.850 0.989 1.00 1.00 C HETATM 1382 C1Z RCY A 150 78.394 -3.370 -0.523 1.00 1.00 C HETATM 0 H1ZA RCY A 150 77.472 -3.178 0.026 1.00 1.00 H new HETATM 0 H1YB RCY A 150 78.832 -1.616 1.589 1.00 1.00 H new HETATM 0 H1YA RCY A 150 80.603 -1.782 1.611 1.00 1.00 H new HETATM 0 H1VB RCY A 150 82.846 -4.431 2.392 1.00 1.00 H new HETATM 0 H1VA RCY A 150 83.125 -3.161 1.177 1.00 1.00 H new HETATM 0 H1LA RCY A 150 77.486 -7.929 -0.972 1.00 1.00 H new HETATM 0 H1CB RCY A 150 82.915 -6.287 0.543 1.00 1.00 H new HETATM 0 H1CA RCY A 150 81.958 -6.011 -0.932 1.00 1.00 H new HETATM 0 H1Z RCY A 150 78.501 -2.634 -1.320 1.00 1.00 H new HETATM 0 H1Y RCY A 150 79.788 -1.140 0.166 1.00 1.00 H new HETATM 0 H1V RCY A 150 81.675 -3.104 2.207 1.00 1.00 H new HETATM 0 H1U RCY A 150 80.726 -5.896 2.147 1.00 1.00 H new HETATM 0 H1S RCY A 150 80.426 -8.251 -1.796 1.00 1.00 H new HETATM 0 H1L RCY A 150 78.232 -7.479 -2.492 1.00 1.00 H new HETATM 0 H1C RCY A 150 83.345 -4.960 -0.563 1.00 1.00 H new HETATM 1385 C1C RCY A 160 77.949 -2.927 3.895 1.00 1.00 C HETATM 1386 O1G RCY A 160 76.634 -2.720 9.082 1.00 1.00 O HETATM 1387 O1H RCY A 160 79.803 -1.298 5.882 1.00 1.00 O HETATM 1388 O1J RCY A 160 75.542 -1.846 2.445 1.00 1.00 O HETATM 1389 C1L RCY A 160 79.014 -2.165 9.213 1.00 1.00 C HETATM 1390 C1M RCY A 160 75.673 -1.158 6.215 1.00 1.00 C HETATM 1391 C1P RCY A 160 77.669 -2.385 8.508 1.00 1.00 C HETATM 1392 C1Q RCY A 160 79.265 -1.869 6.830 1.00 1.00 C HETATM 1393 N1R RCY A 160 77.775 -2.135 7.004 1.00 1.00 N HETATM 1394 C1S RCY A 160 79.969 -2.440 8.047 1.00 1.00 C HETATM 1395 C1U RCY A 160 76.676 -2.146 5.940 1.00 1.00 C HETATM 1396 C1V RCY A 160 78.025 -0.488 4.582 1.00 1.00 C HETATM 1397 N1V RCY A 160 75.874 -1.527 3.830 1.00 1.00 N HETATM 1398 C1W RCY A 160 74.976 -0.873 4.879 1.00 1.00 C HETATM 1399 C1X RCY A 160 77.192 -1.771 4.552 1.00 1.00 C HETATM 1400 C1Y RCY A 160 74.876 0.635 4.634 1.00 1.00 C HETATM 1401 C1Z RCY A 160 73.592 -1.520 4.826 1.00 1.00 C HETATM 0 H1ZB RCY A 160 73.690 -2.599 4.942 1.00 1.00 H new HETATM 0 H1ZA RCY A 160 72.974 -1.123 5.631 1.00 1.00 H new HETATM 0 H1VB RCY A 160 78.940 -0.662 5.148 1.00 1.00 H new HETATM 0 H1VA RCY A 160 78.278 -0.195 3.563 1.00 1.00 H new HETATM 0 H1MA RCY A 160 74.961 -1.522 6.956 1.00 1.00 H new HETATM 0 H1Z RCY A 160 73.124 -1.300 3.867 1.00 1.00 H new HETATM 0 H1Y RCY A 160 74.379 0.817 3.681 1.00 1.00 H new HETATM 0 H1V RCY A 160 77.451 0.308 5.056 1.00 1.00 H new HETATM 0 H1U RCY A 160 76.290 -3.165 5.963 1.00 1.00 H new HETATM 0 H1S RCY A 160 80.156 -3.508 7.932 1.00 1.00 H new HETATM 0 H1M RCY A 160 76.121 -0.251 6.622 1.00 1.00 H new HETATM 1404 C1C RCY A 168 70.245 0.600 1.465 1.00 1.00 C HETATM 1405 O1G RCY A 168 72.550 1.085 4.150 1.00 1.00 O HETATM 1406 O1H RCY A 168 72.625 4.900 1.369 1.00 1.00 O HETATM 1407 O1J RCY A 168 71.190 -1.356 -0.621 1.00 1.00 O HETATM 1408 C1L RCY A 168 72.712 3.485 4.602 1.00 1.00 C HETATM 1409 C1M RCY A 168 73.764 1.247 0.521 1.00 1.00 C HETATM 1410 C1P RCY A 168 72.625 2.234 3.718 1.00 1.00 C HETATM 1411 C1Q RCY A 168 72.862 4.101 2.272 1.00 1.00 C HETATM 1412 N1R RCY A 168 72.645 2.593 2.233 1.00 1.00 N HETATM 1413 C1S RCY A 168 73.429 4.438 3.640 1.00 1.00 C HETATM 1414 C1U RCY A 168 72.489 1.683 1.013 1.00 1.00 C HETATM 1415 C1V RCY A 168 72.339 -0.311 2.567 1.00 1.00 C HETATM 1416 N1V RCY A 168 72.066 -0.422 0.080 1.00 1.00 N HETATM 1417 C1W RCY A 168 73.498 -0.033 -0.282 1.00 1.00 C HETATM 1418 C1X RCY A 168 71.754 0.382 1.335 1.00 1.00 C HETATM 1419 C1Y RCY A 168 74.473 -1.139 0.130 1.00 1.00 C HETATM 1420 C1Z RCY A 168 73.581 0.227 -1.786 1.00 1.00 C HETATM 0 H1ZB RCY A 168 72.838 0.973 -2.068 1.00 1.00 H new HETATM 0 H1ZA RCY A 168 74.576 0.593 -2.038 1.00 1.00 H new HETATM 0 H1YB RCY A 168 75.495 -0.811 -0.057 1.00 1.00 H new HETATM 0 H1YA RCY A 168 74.350 -1.356 1.191 1.00 1.00 H new HETATM 0 H1VB RCY A 168 72.158 0.302 3.450 1.00 1.00 H new HETATM 0 H1VA RCY A 168 71.864 -1.283 2.697 1.00 1.00 H new HETATM 0 H1MA RCY A 168 74.221 2.012 -0.106 1.00 1.00 H new HETATM 0 H1LA RCY A 168 71.731 3.854 4.901 1.00 1.00 H new HETATM 0 H1CB RCY A 168 70.048 1.312 2.267 1.00 1.00 H new HETATM 0 H1CA RCY A 168 69.852 0.992 0.527 1.00 1.00 H new HETATM 0 H1Z RCY A 168 73.388 -0.700 -2.327 1.00 1.00 H new HETATM 0 H1Y RCY A 168 74.269 -2.039 -0.450 1.00 1.00 H new HETATM 0 H1V RCY A 168 73.412 -0.446 2.433 1.00 1.00 H new HETATM 0 H1U RCY A 168 71.938 2.289 0.294 1.00 1.00 H new HETATM 0 H1S RCY A 168 74.509 4.292 3.668 1.00 1.00 H new HETATM 0 H1M RCY A 168 74.453 1.055 1.343 1.00 1.00 H new HETATM 0 H1C RCY A 168 69.759 -0.348 1.694 1.00 1.00 H new HETATM 1423 C1C RCY A 173 76.128 6.444 7.054 1.00 1.00 C HETATM 1424 O1G RCY A 173 78.831 3.443 4.065 1.00 1.00 O HETATM 1425 O1H RCY A 173 78.251 8.055 4.901 1.00 1.00 O HETATM 1426 O1J RCY A 173 73.598 4.811 7.086 1.00 1.00 O HETATM 1427 C1L RCY A 173 80.365 5.350 4.072 1.00 1.00 C HETATM 1428 C1M RCY A 173 75.948 4.200 4.118 1.00 1.00 C HETATM 1429 C1P RCY A 173 79.002 4.655 4.190 1.00 1.00 C HETATM 1430 C1Q RCY A 173 78.622 6.986 4.419 1.00 1.00 C HETATM 1431 N1R RCY A 173 77.884 5.655 4.482 1.00 1.00 N HETATM 1432 C1S RCY A 173 79.908 6.751 3.648 1.00 1.00 C HETATM 1433 C1U RCY A 173 76.403 5.397 4.766 1.00 1.00 C HETATM 1434 C1V RCY A 173 77.063 4.098 6.837 1.00 1.00 C HETATM 1435 N1V RCY A 173 74.703 4.590 6.158 1.00 1.00 N HETATM 1436 C1W RCY A 173 74.698 3.749 4.883 1.00 1.00 C HETATM 1437 C1X RCY A 173 76.118 5.146 6.246 1.00 1.00 C HETATM 1438 C1Y RCY A 173 74.784 2.258 5.224 1.00 1.00 C HETATM 1439 C1Z RCY A 173 73.424 4.047 4.091 1.00 1.00 C HETATM 0 H1ZB RCY A 173 73.351 5.119 3.909 1.00 1.00 H new HETATM 0 H1YA RCY A 173 75.662 2.077 5.844 1.00 1.00 H new HETATM 0 H1VA RCY A 173 76.757 3.867 7.857 1.00 1.00 H new HETATM 0 H1LA RCY A 173 80.913 5.357 5.014 1.00 1.00 H new HETATM 0 H1CB RCY A 173 77.106 6.918 6.970 1.00 1.00 H new HETATM 0 H1Y RCY A 173 73.888 1.957 5.767 1.00 1.00 H new HETATM 0 H1S RCY A 173 79.740 6.804 2.572 1.00 1.00 H new HETATM 0 H1L RCY A 173 81.011 4.879 3.331 1.00 1.00 H new HETATM 0 H1C RCY A 173 75.921 6.222 8.101 1.00 1.00 H new HETATM 1442 C1C RCY A 176 76.502 5.002 -2.364 1.00 1.00 C HETATM 1443 O1G RCY A 176 77.947 6.326 -2.760 1.00 1.00 O HETATM 1444 O1H RCY A 176 75.468 10.089 -1.349 1.00 1.00 O HETATM 1445 O1J RCY A 176 76.868 5.006 0.625 1.00 1.00 O HETATM 1446 C1L RCY A 176 78.507 8.691 -2.479 1.00 1.00 C HETATM 1447 C1M RCY A 176 74.166 7.364 -0.734 1.00 1.00 C HETATM 1448 C1P RCY A 176 77.584 7.466 -2.477 1.00 1.00 C HETATM 1449 C1Q RCY A 176 76.245 9.355 -1.957 1.00 1.00 C HETATM 1450 N1R RCY A 176 76.156 7.839 -2.080 1.00 1.00 N HETATM 1451 C1S RCY A 176 77.476 9.797 -2.728 1.00 1.00 C HETATM 1452 C1U RCY A 176 74.943 6.933 -1.861 1.00 1.00 C HETATM 1453 C1V RCY A 176 74.132 4.550 -1.585 1.00 1.00 C HETATM 1454 N1V RCY A 176 75.772 5.679 -0.066 1.00 1.00 N HETATM 1455 C1W RCY A 176 74.811 6.723 0.501 1.00 1.00 C HETATM 1456 C1X RCY A 176 75.332 5.497 -1.512 1.00 1.00 C HETATM 1457 C1Y RCY A 176 73.749 6.053 1.377 1.00 1.00 C HETATM 1458 C1Z RCY A 176 75.607 7.749 1.308 1.00 1.00 C HETATM 0 H1ZB RCY A 176 76.396 8.170 0.684 1.00 1.00 H new HETATM 0 H1ZA RCY A 176 74.942 8.547 1.639 1.00 1.00 H new HETATM 0 H1YB RCY A 176 73.024 6.798 1.704 1.00 1.00 H new HETATM 0 H1VB RCY A 176 73.793 4.472 -2.618 1.00 1.00 H new HETATM 0 H1VA RCY A 176 74.424 3.564 -1.223 1.00 1.00 H new HETATM 0 H1MA RCY A 176 74.167 8.451 -0.654 1.00 1.00 H new HETATM 0 H1LA RCY A 176 79.034 8.817 -1.534 1.00 1.00 H new HETATM 0 H1CB RCY A 176 76.224 5.034 -3.418 1.00 1.00 H new HETATM 0 H1CA RCY A 176 77.369 5.641 -2.198 1.00 1.00 H new HETATM 0 H1Z RCY A 176 76.052 7.263 2.177 1.00 1.00 H new HETATM 0 H1Y RCY A 176 74.226 5.604 2.248 1.00 1.00 H new HETATM 0 H1V RCY A 176 73.324 4.939 -0.966 1.00 1.00 H new HETATM 0 H1U RCY A 176 74.396 6.984 -2.802 1.00 1.00 H new HETATM 0 H1S RCY A 176 77.260 9.905 -3.791 1.00 1.00 H new HETATM 0 H1M RCY A 176 73.126 7.053 -0.836 1.00 1.00 H new HETATM 0 H1L RCY A 176 79.264 8.642 -3.262 1.00 1.00 H new HETATM 0 H1C RCY A 176 76.747 3.977 -2.085 1.00 1.00 H new HETATM 1461 C1C RCY A 187 80.714 -5.264 -2.710 1.00 1.00 C HETATM 1462 O1G RCY A 187 79.354 -0.992 -5.450 1.00 1.00 O HETATM 1463 O1H RCY A 187 80.553 -5.523 -4.872 1.00 1.00 O HETATM 1464 O1J RCY A 187 83.006 -3.429 -2.038 1.00 1.00 O HETATM 1465 C1L RCY A 187 80.217 -2.703 -6.971 1.00 1.00 C HETATM 1466 C1M RCY A 187 79.601 -1.738 -2.546 1.00 1.00 C HETATM 1467 C1P RCY A 187 79.766 -2.139 -5.618 1.00 1.00 C HETATM 1468 C1Q RCY A 187 80.543 -4.347 -5.233 1.00 1.00 C HETATM 1469 N1R RCY A 187 79.891 -3.178 -4.505 1.00 1.00 N HETATM 1470 C1S RCY A 187 81.184 -3.792 -6.492 1.00 1.00 C HETATM 1471 C1U RCY A 187 79.474 -3.081 -3.036 1.00 1.00 C HETATM 1472 C1V RCY A 187 79.773 -4.027 -0.707 1.00 1.00 C HETATM 1473 N1V RCY A 187 81.607 -3.011 -2.077 1.00 1.00 N HETATM 1474 C1W RCY A 187 81.059 -1.585 -2.094 1.00 1.00 C HETATM 1475 C1X RCY A 187 80.371 -3.899 -2.110 1.00 1.00 C HETATM 1476 C1Y RCY A 187 81.127 -0.969 -0.694 1.00 1.00 C HETATM 1477 C1Z RCY A 187 81.865 -0.751 -3.089 1.00 1.00 C HETATM 0 H1ZB RCY A 187 81.854 -1.238 -4.064 1.00 1.00 H new HETATM 0 H1ZA RCY A 187 81.423 0.242 -3.174 1.00 1.00 H new HETATM 0 H1YB RCY A 187 80.656 0.014 -0.706 1.00 1.00 H new HETATM 0 H1YA RCY A 187 80.604 -1.613 0.013 1.00 1.00 H new HETATM 0 H1MA RCY A 187 79.356 -1.015 -3.324 1.00 1.00 H new HETATM 0 H1LA RCY A 187 79.388 -3.107 -7.552 1.00 1.00 H new HETATM 0 H1CB RCY A 187 79.797 -5.827 -2.882 1.00 1.00 H new HETATM 0 H1CA RCY A 187 81.237 -5.125 -3.656 1.00 1.00 H new HETATM 0 H1Z RCY A 187 82.894 -0.661 -2.740 1.00 1.00 H new HETATM 0 H1Y RCY A 187 82.169 -0.869 -0.391 1.00 1.00 H new HETATM 0 H1U RCY A 187 78.447 -3.446 -3.023 1.00 1.00 H new HETATM 0 H1S RCY A 187 82.172 -3.382 -6.286 1.00 1.00 H new HETATM 0 H1M RCY A 187 78.916 -1.559 -1.718 1.00 1.00 H new HETATM 0 H1L RCY A 187 80.707 -1.954 -7.593 1.00 1.00 H new HETATM 0 H1C RCY A 187 81.354 -5.814 -2.020 1.00 1.00 H new