USER MOD reduce.3.24.130724 H: found=0, std=0, add=780, rem=0, adj=21 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 12 SER H : A 12 SER N : A 110 RCY C1Z :(H bumps) USER MOD NoAdj-H: A 24 ARG H : A 24 ARG N : A 121 RCY O1G :(H bumps) USER MOD NoAdj-H: A 61 GLY H : A 61 GLY N : A 160 RCY C1S :(H bumps) USER MOD NoAdj-H: A 110 RCYH1ZB : A 110 RCY C1Z : A 11 ARG CA :(H bumps) USER MOD NoAdj-H: A 110 RCYH1ZA : A 110 RCY C1Z : A 12 SER N :(H bumps) USER MOD NoAdj-H: A 110 RCYH1SA : A 110 RCY C1S : A 10 CYS SG :(H bumps) USER MOD NoAdj-H: A 110 RCYH1LA : A 110 RCY C1L : A 10 CYS O :(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 RCYH1SA : A 130 RCY C1S : A 30 CYS SG :(H bumps) USER MOD NoAdj-H: A 138 RCYH1SA : A 138 RCY C1S : A 38 CYS SG :(H bumps) USER MOD NoAdj-H: A 150 RCYH1YB : A 150 RCY C1Y : A 160 RCY N1R :(H bumps) USER MOD NoAdj-H: A 150 RCYH1YA : A 150 RCY C1Y : A 160 RCY C1Q :(H bumps) USER MOD NoAdj-H: A 150 RCYH1VA : A 150 RCY C1V : A 160 RCY C1S :(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 62 THR CG2 :(H bumps) USER MOD NoAdj-H: A 150 RCY H1Y : A 150 RCY C1Y : A 160 RCY C1Q :(H bumps) USER MOD NoAdj-H: A 150 RCY H1V : A 150 RCY C1V : A 160 RCY C1S :(H bumps) USER MOD NoAdj-H: A 150 RCY H1U : A 150 RCY C1U : A 62 THR CG2 :(H bumps) USER MOD NoAdj-H: A 160 RCYH1YB : A 160 RCY C1Y : A 168 RCY O1J :(H bumps) USER MOD NoAdj-H: A 160 RCYH1YA : A 160 RCY C1Y : A 168 RCY N1V :(H bumps) USER MOD NoAdj-H: A 160 RCYH1VB : A 160 RCY C1V : A 168 RCY N1R :(H bumps) USER MOD NoAdj-H: A 160 RCYH1VA : A 160 RCY C1V : A 168 RCY C1M :(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 C :(H bumps) USER MOD NoAdj-H: A 160 RCY H1V : A 160 RCY C1V : A 168 RCY C1X :(H bumps) USER MOD NoAdj-H: A 160 RCY H1S : A 160 RCY C1S : A 150 RCY C1V :(H bumps) USER MOD NoAdj-H: A 160 RCY H1M : A 160 RCY C1M : A 168 RCY N1V :(H bumps) USER MOD NoAdj-H: A 160 RCY H1L : A 160 RCY C1L : A 60 CYS C :(H bumps) USER MOD NoAdj-H: A 160 RCY H1C : A 160 RCY C1C : A 173 RCY N1V :(H bumps) USER MOD NoAdj-H: A 168 RCYH1YB : A 168 RCY C1Y : A 176 RCY C1Y :(H bumps) USER MOD NoAdj-H: A 168 RCYH1YA : A 168 RCY C1Y : A 173 RCY C1C :(H bumps) USER MOD NoAdj-H: A 168 RCYH1VB : A 168 RCY C1V : A 173 RCY N1V :(H bumps) USER MOD NoAdj-H: A 168 RCYH1VA : A 168 RCY C1V : A 160 RCY N1V :(H bumps) USER MOD NoAdj-H: A 168 RCYH1SA : A 168 RCY C1S : A 68 CYS SG :(H bumps) USER MOD NoAdj-H: A 168 RCYH1CB : A 168 RCY C1C : A 160 RCY N1R :(H bumps) USER MOD NoAdj-H: A 168 RCYH1CA : A 168 RCY C1C : A 160 RCY C1M :(H bumps) USER MOD NoAdj-H: A 168 RCY H1Y : A 168 RCY C1Y : A 176 RCY C1Y :(H bumps) USER MOD NoAdj-H: A 168 RCY H1V : A 168 RCY C1V : A 173 RCY N1V :(H bumps) USER MOD NoAdj-H: A 168 RCY H1M : A 168 RCY C1M : A 160 RCY C1V :(H bumps) USER MOD NoAdj-H: A 168 RCY H1C : A 168 RCY C1C : A 160 RCY C1M :(H bumps) USER MOD NoAdj-H: A 173 RCYH1YB : A 173 RCY C1Y : A 168 RCY C1S :(H bumps) USER MOD NoAdj-H: A 173 RCYH1YA : A 173 RCY C1Y : A 168 RCY N1R :(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 168 RCY C1P :(H bumps) USER MOD NoAdj-H: A 173 RCYH1CB : A 173 RCY C1C : A 168 RCY C1Y :(H bumps) USER MOD NoAdj-H: A 173 RCY H1Y : A 173 RCY C1Y : A 168 RCY N1R :(H bumps) USER MOD NoAdj-H: A 173 RCY H1M : A 173 RCY C1M : A 168 RCY C1P :(H bumps) USER MOD NoAdj-H: A 173 RCY H1C : A 173 RCY C1C : A 168 RCY C1Y :(H bumps) USER MOD NoAdj-H: A 176 RCYH1YA : A 176 RCY C1Y : A 168 RCY C1Y :(H bumps) USER MOD NoAdj-H: A 176 RCYH1SA : A 176 RCY C1S : A 76 CYS SG :(H bumps) USER MOD NoAdj-H: A 176 RCY H1Y : A 176 RCY C1Y : A 168 RCY C1Y :(H bumps) USER MOD NoAdj-H: A 187 RCYH1SA : A 187 RCY C1S : A 87 CYS SG :(H bumps) USER MOD Set 1.1: A 75 HIS : no HD1:sc= -0.125 X(o=-4.4,f=-4.4) USER MOD Set 1.2: A 79 HIS : no HE2:sc= -4.28! C(o=-4.4!,f=-5.7!) USER MOD Set 2.1: A 1 MET N :NH3+ -166:sc= -0.411 (180deg=-2.19!) USER MOD Set 2.2: A 2 ASN :FLIP amide:sc= -3.22! C(o=-6.2!,f=-3.6!) USER MOD Single : A 1 MET CE :methyl -154:sc=-0.00907 (180deg=-0.278) USER MOD Single : A 7 LYS NZ :NH3+ -158:sc= 0 (180deg=-0.455) USER MOD Single : A 12 SER OG : rot 180:sc= 0.251 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -158:sc= -0.0145 (180deg=-0.204) USER MOD Single : A 31 LYS NZ :NH3+ 141:sc= -0.266 (180deg=-1.33!) USER MOD Single : A 32 GLN : amide:sc= -5.64! C(o=-5.6!,f=-13!) USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 THR OG1 : rot 180:sc=-0.00629 USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 LYS NZ :NH3+ 173:sc= -1.47 (180deg=-1.8) USER MOD Single : A 40 SER OG : rot 180:sc=-0.000862 USER MOD Single : A 41 LYS NZ :NH3+ -160:sc= -0.182 (180deg=-0.867) USER MOD Single : A 44 LYS NZ :NH3+ -153:sc= -0.321 (180deg=-1.41!) USER MOD Single : A 45 LYS NZ :NH3+ 156:sc= -0.0431 (180deg=-0.307) USER MOD Single : A 48 GLN : amide:sc= -0.378 X(o=-0.38,f=0) USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 135:sc= -6.32! USER MOD Single : A 65 THR OG1 : rot -99:sc= -0.647! USER MOD Single : A 74 ASN :FLIP amide:sc= -0.811 F(o=-4.8!,f=-0.81) USER MOD Single : A 83 GLN :FLIP amide:sc= 0.337 F(o=-0.84,f=0.34) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 62.301 -12.257 9.814 1.00 1.00 N ATOM 2 CA MET A 1 62.202 -12.688 11.237 1.00 1.00 C ATOM 3 C MET A 1 60.900 -12.153 11.839 1.00 1.00 C ATOM 4 O MET A 1 60.751 -12.065 13.042 1.00 1.00 O ATOM 5 CB MET A 1 63.398 -12.137 12.023 1.00 1.00 C ATOM 6 CG MET A 1 64.616 -12.048 11.102 1.00 1.00 C ATOM 7 SD MET A 1 64.554 -10.499 10.168 1.00 1.00 S ATOM 8 CE MET A 1 65.264 -11.134 8.629 1.00 1.00 C ATOM 0 H1 MET A 1 63.047 -12.803 9.337 1.00 1.00 H new ATOM 0 H2 MET A 1 61.392 -12.423 9.337 1.00 1.00 H new ATOM 0 H3 MET A 1 62.534 -11.244 9.773 1.00 1.00 H new ATOM 0 HA MET A 1 62.207 -13.777 11.291 1.00 1.00 H new ATOM 0 HB2 MET A 1 63.160 -11.152 12.425 1.00 1.00 H new ATOM 0 HB3 MET A 1 63.618 -12.784 12.873 1.00 1.00 H new ATOM 0 HG2 MET A 1 65.533 -12.095 11.689 1.00 1.00 H new ATOM 0 HG3 MET A 1 64.631 -12.897 10.418 1.00 1.00 H new ATOM 0 HE1 MET A 1 65.742 -10.319 8.085 1.00 1.00 H new ATOM 0 HE2 MET A 1 66.004 -11.900 8.859 1.00 1.00 H new ATOM 0 HE3 MET A 1 64.474 -11.566 8.015 1.00 1.00 H new ATOM 17 N ASN A 2 59.957 -11.795 11.012 1.00 1.00 N ATOM 18 CA ASN A 2 58.667 -11.264 11.535 1.00 1.00 C ATOM 19 C ASN A 2 57.777 -12.428 11.975 1.00 1.00 C ATOM 20 O ASN A 2 57.983 -13.020 13.016 1.00 1.00 O ATOM 21 CB ASN A 2 57.959 -10.469 10.436 1.00 1.00 C ATOM 22 CG ASN A 2 57.984 -11.267 9.131 1.00 1.00 C ATOM 23 OD1 ASN A 2 59.125 -11.482 8.534 1.00 1.00 O flip ATOM 24 ND2 ASN A 2 56.956 -11.698 8.649 1.00 1.00 N flip ATOM 0 H ASN A 2 60.024 -11.847 9.996 1.00 1.00 H new ATOM 0 HA ASN A 2 58.862 -10.613 12.387 1.00 1.00 H new ATOM 0 HB2 ASN A 2 56.930 -10.262 10.728 1.00 1.00 H new ATOM 0 HB3 ASN A 2 58.450 -9.506 10.295 1.00 1.00 H new ATOM 0 HD21 ASN A 2 56.064 -11.530 9.115 1.00 1.00 H new ATOM 0 HD22 ASN A 2 56.984 -12.228 7.778 1.00 1.00 H new ATOM 31 N LEU A 3 56.788 -12.760 11.192 1.00 1.00 N ATOM 32 CA LEU A 3 55.886 -13.885 11.570 1.00 1.00 C ATOM 33 C LEU A 3 56.570 -15.216 11.244 1.00 1.00 C ATOM 34 O LEU A 3 57.014 -15.927 12.123 1.00 1.00 O ATOM 35 CB LEU A 3 54.569 -13.768 10.790 1.00 1.00 C ATOM 36 CG LEU A 3 53.427 -14.348 11.626 1.00 1.00 C ATOM 37 CD1 LEU A 3 52.122 -14.271 10.831 1.00 1.00 C ATOM 38 CD2 LEU A 3 53.733 -15.809 11.961 1.00 1.00 C ATOM 0 H LEU A 3 56.565 -12.302 10.308 1.00 1.00 H new ATOM 0 HA LEU A 3 55.674 -13.843 12.638 1.00 1.00 H new ATOM 0 HB2 LEU A 3 54.366 -12.724 10.553 1.00 1.00 H new ATOM 0 HB3 LEU A 3 54.647 -14.301 9.842 1.00 1.00 H new ATOM 0 HG LEU A 3 53.325 -13.776 12.548 1.00 1.00 H new ATOM 0 HD11 LEU A 3 51.308 -14.684 11.427 1.00 1.00 H new ATOM 0 HD12 LEU A 3 51.903 -13.231 10.590 1.00 1.00 H new ATOM 0 HD13 LEU A 3 52.223 -14.843 9.909 1.00 1.00 H new ATOM 0 HD21 LEU A 3 52.920 -16.224 12.557 1.00 1.00 H new ATOM 0 HD22 LEU A 3 53.835 -16.380 11.038 1.00 1.00 H new ATOM 0 HD23 LEU A 3 54.663 -15.865 12.527 1.00 1.00 H new ATOM 50 N GLU A 4 56.660 -15.558 9.986 1.00 1.00 N ATOM 51 CA GLU A 4 57.318 -16.843 9.608 1.00 1.00 C ATOM 52 C GLU A 4 58.807 -16.589 9.342 1.00 1.00 C ATOM 53 O GLU A 4 59.183 -15.538 8.862 1.00 1.00 O ATOM 54 CB GLU A 4 56.665 -17.397 8.339 1.00 1.00 C ATOM 55 CG GLU A 4 55.164 -17.576 8.573 1.00 1.00 C ATOM 56 CD GLU A 4 54.938 -18.613 9.675 1.00 1.00 C ATOM 57 OE1 GLU A 4 55.847 -19.387 9.928 1.00 1.00 O ATOM 58 OE2 GLU A 4 53.861 -18.614 10.248 1.00 1.00 O ATOM 0 H GLU A 4 56.307 -15.004 9.205 1.00 1.00 H new ATOM 0 HA GLU A 4 57.206 -17.563 10.419 1.00 1.00 H new ATOM 0 HB2 GLU A 4 56.835 -16.718 7.504 1.00 1.00 H new ATOM 0 HB3 GLU A 4 57.118 -18.351 8.071 1.00 1.00 H new ATOM 0 HG2 GLU A 4 54.714 -16.625 8.857 1.00 1.00 H new ATOM 0 HG3 GLU A 4 54.678 -17.897 7.652 1.00 1.00 H new ATOM 65 N PRO A 5 59.650 -17.545 9.645 1.00 1.00 N ATOM 66 CA PRO A 5 61.121 -17.414 9.426 1.00 1.00 C ATOM 67 C PRO A 5 61.486 -17.484 7.936 1.00 1.00 C ATOM 68 O PRO A 5 60.775 -18.074 7.148 1.00 1.00 O ATOM 69 CB PRO A 5 61.708 -18.609 10.183 1.00 1.00 C ATOM 70 CG PRO A 5 60.616 -19.627 10.210 1.00 1.00 C ATOM 71 CD PRO A 5 59.296 -18.851 10.224 1.00 1.00 C ATOM 0 HA PRO A 5 61.504 -16.454 9.772 1.00 1.00 H new ATOM 0 HB2 PRO A 5 62.595 -18.996 9.682 1.00 1.00 H new ATOM 0 HB3 PRO A 5 62.009 -18.327 11.192 1.00 1.00 H new ATOM 0 HG2 PRO A 5 60.673 -20.280 9.339 1.00 1.00 H new ATOM 0 HG3 PRO A 5 60.701 -20.263 11.091 1.00 1.00 H new ATOM 0 HD2 PRO A 5 58.529 -19.355 9.635 1.00 1.00 H new ATOM 0 HD3 PRO A 5 58.904 -18.747 11.236 1.00 1.00 H new ATOM 79 N PRO A 6 62.587 -16.887 7.553 1.00 1.00 N ATOM 80 CA PRO A 6 63.048 -16.887 6.134 1.00 1.00 C ATOM 81 C PRO A 6 63.636 -18.239 5.713 1.00 1.00 C ATOM 82 O PRO A 6 64.176 -18.968 6.521 1.00 1.00 O ATOM 83 CB PRO A 6 64.126 -15.801 6.110 1.00 1.00 C ATOM 84 CG PRO A 6 64.669 -15.767 7.500 1.00 1.00 C ATOM 85 CD PRO A 6 63.514 -16.150 8.428 1.00 1.00 C ATOM 0 HA PRO A 6 62.228 -16.706 5.439 1.00 1.00 H new ATOM 0 HB2 PRO A 6 64.907 -16.036 5.387 1.00 1.00 H new ATOM 0 HB3 PRO A 6 63.708 -14.835 5.826 1.00 1.00 H new ATOM 0 HG2 PRO A 6 65.501 -16.463 7.609 1.00 1.00 H new ATOM 0 HG3 PRO A 6 65.050 -14.775 7.744 1.00 1.00 H new ATOM 0 HD2 PRO A 6 63.856 -16.768 9.258 1.00 1.00 H new ATOM 0 HD3 PRO A 6 63.040 -15.269 8.861 1.00 1.00 H new ATOM 93 N LYS A 7 63.536 -18.572 4.453 1.00 1.00 N ATOM 94 CA LYS A 7 64.089 -19.872 3.966 1.00 1.00 C ATOM 95 C LYS A 7 65.103 -19.601 2.854 1.00 1.00 C ATOM 96 O LYS A 7 66.249 -19.287 3.107 1.00 1.00 O ATOM 97 CB LYS A 7 62.951 -20.744 3.416 1.00 1.00 C ATOM 98 CG LYS A 7 62.215 -21.422 4.573 1.00 1.00 C ATOM 99 CD LYS A 7 61.109 -20.499 5.086 1.00 1.00 C ATOM 100 CE LYS A 7 60.711 -20.916 6.504 1.00 1.00 C ATOM 101 NZ LYS A 7 60.487 -22.389 6.543 1.00 1.00 N ATOM 0 H LYS A 7 63.093 -17.997 3.736 1.00 1.00 H new ATOM 0 HA LYS A 7 64.576 -20.393 4.791 1.00 1.00 H new ATOM 0 HB2 LYS A 7 62.257 -20.132 2.840 1.00 1.00 H new ATOM 0 HB3 LYS A 7 63.352 -21.496 2.737 1.00 1.00 H new ATOM 0 HG2 LYS A 7 61.788 -22.369 4.241 1.00 1.00 H new ATOM 0 HG3 LYS A 7 62.914 -21.652 5.377 1.00 1.00 H new ATOM 0 HD2 LYS A 7 61.454 -19.465 5.083 1.00 1.00 H new ATOM 0 HD3 LYS A 7 60.244 -20.549 4.425 1.00 1.00 H new ATOM 0 HE2 LYS A 7 61.493 -20.637 7.210 1.00 1.00 H new ATOM 0 HE3 LYS A 7 59.805 -20.391 6.808 1.00 1.00 H new ATOM 0 HZ1 LYS A 7 59.879 -22.626 7.352 1.00 1.00 H new ATOM 0 HZ2 LYS A 7 60.026 -22.693 5.662 1.00 1.00 H new ATOM 0 HZ3 LYS A 7 61.400 -22.877 6.642 1.00 1.00 H new ATOM 115 N ALA A 8 64.689 -19.722 1.624 1.00 1.00 N ATOM 116 CA ALA A 8 65.626 -19.473 0.491 1.00 1.00 C ATOM 117 C ALA A 8 66.398 -18.175 0.739 1.00 1.00 C ATOM 118 O ALA A 8 67.421 -18.166 1.395 1.00 1.00 O ATOM 119 CB ALA A 8 64.830 -19.349 -0.810 1.00 1.00 C ATOM 0 H ALA A 8 63.741 -19.983 1.353 1.00 1.00 H new ATOM 0 HA ALA A 8 66.328 -20.303 0.413 1.00 1.00 H new ATOM 0 HB1 ALA A 8 65.514 -19.167 -1.639 1.00 1.00 H new ATOM 0 HB2 ALA A 8 64.280 -20.273 -0.989 1.00 1.00 H new ATOM 0 HB3 ALA A 8 64.128 -18.519 -0.730 1.00 1.00 H new ATOM 125 N GLU A 9 65.918 -17.078 0.219 1.00 1.00 N ATOM 126 CA GLU A 9 66.626 -15.784 0.425 1.00 1.00 C ATOM 127 C GLU A 9 65.757 -14.637 -0.093 1.00 1.00 C ATOM 128 O GLU A 9 65.425 -13.720 0.632 1.00 1.00 O ATOM 129 CB GLU A 9 67.953 -15.800 -0.337 1.00 1.00 C ATOM 130 CG GLU A 9 68.824 -14.633 0.131 1.00 1.00 C ATOM 131 CD GLU A 9 69.337 -14.913 1.545 1.00 1.00 C ATOM 132 OE1 GLU A 9 69.636 -16.061 1.829 1.00 1.00 O ATOM 133 OE2 GLU A 9 69.423 -13.974 2.319 1.00 1.00 O ATOM 0 H GLU A 9 65.066 -17.023 -0.339 1.00 1.00 H new ATOM 0 HA GLU A 9 66.818 -15.643 1.489 1.00 1.00 H new ATOM 0 HB2 GLU A 9 68.470 -16.744 -0.168 1.00 1.00 H new ATOM 0 HB3 GLU A 9 67.770 -15.724 -1.409 1.00 1.00 H new ATOM 0 HG2 GLU A 9 69.663 -14.495 -0.551 1.00 1.00 H new ATOM 0 HG3 GLU A 9 68.248 -13.708 0.118 1.00 1.00 H new ATOM 140 N CYS A 10 65.385 -14.679 -1.343 1.00 1.00 N ATOM 141 CA CYS A 10 64.539 -13.589 -1.905 1.00 1.00 C ATOM 142 C CYS A 10 63.211 -13.531 -1.147 1.00 1.00 C ATOM 143 O CYS A 10 62.967 -14.307 -0.244 1.00 1.00 O ATOM 144 CB CYS A 10 64.270 -13.863 -3.386 1.00 1.00 C ATOM 145 SG CYS A 10 63.111 -15.244 -3.544 1.00 1.00 S ATOM 0 H CYS A 10 65.630 -15.421 -1.999 1.00 1.00 H new ATOM 0 HA CYS A 10 65.058 -12.636 -1.801 1.00 1.00 H new ATOM 0 HB2 CYS A 10 63.859 -12.973 -3.863 1.00 1.00 H new ATOM 0 HB3 CYS A 10 65.203 -14.097 -3.899 1.00 1.00 H new ATOM 150 N ARG A 11 62.352 -12.617 -1.506 1.00 1.00 N ATOM 151 CA ARG A 11 61.040 -12.509 -0.806 1.00 1.00 C ATOM 152 C ARG A 11 60.026 -11.830 -1.728 1.00 1.00 C ATOM 153 O ARG A 11 60.119 -10.652 -2.011 1.00 1.00 O ATOM 154 CB ARG A 11 61.209 -11.678 0.471 1.00 1.00 C ATOM 155 CG ARG A 11 61.843 -10.328 0.129 1.00 1.00 C ATOM 156 CD ARG A 11 63.051 -10.087 1.035 1.00 1.00 C ATOM 157 NE ARG A 11 62.605 -10.040 2.456 1.00 1.00 N ATOM 158 CZ ARG A 11 62.112 -8.937 2.949 1.00 1.00 C ATOM 159 NH1 ARG A 11 62.010 -7.875 2.198 1.00 1.00 N ATOM 160 NH2 ARG A 11 61.721 -8.896 4.193 1.00 1.00 N ATOM 0 H ARG A 11 62.502 -11.940 -2.254 1.00 1.00 H new ATOM 0 HA ARG A 11 60.683 -13.505 -0.545 1.00 1.00 H new ATOM 0 HB2 ARG A 11 60.241 -11.525 0.948 1.00 1.00 H new ATOM 0 HB3 ARG A 11 61.835 -12.214 1.185 1.00 1.00 H new ATOM 0 HG2 ARG A 11 62.151 -10.313 -0.917 1.00 1.00 H new ATOM 0 HG3 ARG A 11 61.113 -9.529 0.258 1.00 1.00 H new ATOM 0 HD2 ARG A 11 63.785 -10.881 0.899 1.00 1.00 H new ATOM 0 HD3 ARG A 11 63.540 -9.151 0.765 1.00 1.00 H new ATOM 0 HE ARG A 11 62.685 -10.870 3.043 1.00 1.00 H new ATOM 0 HH11 ARG A 11 62.316 -7.907 1.225 1.00 1.00 H new ATOM 0 HH12 ARG A 11 61.625 -7.013 2.583 1.00 1.00 H new ATOM 0 HH21 ARG A 11 61.801 -9.726 4.780 1.00 1.00 H new ATOM 0 HH22 ARG A 11 61.336 -8.034 4.578 1.00 1.00 H new ATOM 174 N SER A 12 59.057 -12.565 -2.202 1.00 1.00 N ATOM 175 CA SER A 12 58.039 -11.962 -3.108 1.00 1.00 C ATOM 176 C SER A 12 58.742 -11.300 -4.294 1.00 1.00 C ATOM 177 O SER A 12 59.913 -11.519 -4.535 1.00 1.00 O ATOM 178 CB SER A 12 57.233 -10.912 -2.342 1.00 1.00 C ATOM 179 OG SER A 12 56.081 -10.562 -3.097 1.00 1.00 O ATOM 0 HA SER A 12 57.368 -12.741 -3.471 1.00 1.00 H new ATOM 0 HB2 SER A 12 56.939 -11.302 -1.368 1.00 1.00 H new ATOM 0 HB3 SER A 12 57.845 -10.029 -2.160 1.00 1.00 H new ATOM 0 HG SER A 12 55.561 -9.890 -2.608 1.00 1.00 H new ATOM 185 N ALA A 13 58.038 -10.492 -5.039 1.00 1.00 N ATOM 186 CA ALA A 13 58.669 -9.817 -6.209 1.00 1.00 C ATOM 187 C ALA A 13 59.401 -8.559 -5.740 1.00 1.00 C ATOM 188 O ALA A 13 60.612 -8.479 -5.788 1.00 1.00 O ATOM 189 CB ALA A 13 57.586 -9.430 -7.220 1.00 1.00 C ATOM 0 H ALA A 13 57.054 -10.270 -4.888 1.00 1.00 H new ATOM 0 HA ALA A 13 59.380 -10.496 -6.679 1.00 1.00 H new ATOM 0 HB1 ALA A 13 58.047 -8.936 -8.076 1.00 1.00 H new ATOM 0 HB2 ALA A 13 57.065 -10.326 -7.556 1.00 1.00 H new ATOM 0 HB3 ALA A 13 56.875 -8.751 -6.749 1.00 1.00 H new ATOM 195 N THR A 14 58.675 -7.573 -5.285 1.00 1.00 N ATOM 196 CA THR A 14 59.330 -6.319 -4.812 1.00 1.00 C ATOM 197 C THR A 14 58.437 -5.640 -3.772 1.00 1.00 C ATOM 198 O THR A 14 58.909 -5.144 -2.769 1.00 1.00 O ATOM 199 CB THR A 14 59.541 -5.374 -5.997 1.00 1.00 C ATOM 200 OG1 THR A 14 58.308 -5.188 -6.677 1.00 1.00 O ATOM 201 CG2 THR A 14 60.569 -5.976 -6.956 1.00 1.00 C ATOM 0 H THR A 14 57.657 -7.582 -5.220 1.00 1.00 H new ATOM 0 HA THR A 14 60.294 -6.559 -4.364 1.00 1.00 H new ATOM 0 HB THR A 14 59.906 -4.413 -5.635 1.00 1.00 H new ATOM 0 HG1 THR A 14 58.441 -4.582 -7.435 1.00 1.00 H new ATOM 0 HG21 THR A 14 60.718 -5.302 -7.799 1.00 1.00 H new ATOM 0 HG22 THR A 14 61.515 -6.118 -6.433 1.00 1.00 H new ATOM 0 HG23 THR A 14 60.208 -6.938 -7.320 1.00 1.00 H new ATOM 209 N ARG A 15 57.149 -5.618 -4.008 1.00 1.00 N ATOM 210 CA ARG A 15 56.202 -4.976 -3.043 1.00 1.00 C ATOM 211 C ARG A 15 56.871 -3.781 -2.357 1.00 1.00 C ATOM 212 O ARG A 15 56.652 -3.521 -1.190 1.00 1.00 O ATOM 213 CB ARG A 15 55.766 -5.999 -1.988 1.00 1.00 C ATOM 214 CG ARG A 15 57.000 -6.581 -1.295 1.00 1.00 C ATOM 215 CD ARG A 15 56.564 -7.402 -0.080 1.00 1.00 C ATOM 216 NE ARG A 15 55.794 -6.534 0.855 1.00 1.00 N ATOM 217 CZ ARG A 15 55.250 -7.048 1.924 1.00 1.00 C ATOM 218 NH1 ARG A 15 55.380 -8.322 2.174 1.00 1.00 N ATOM 219 NH2 ARG A 15 54.575 -6.288 2.743 1.00 1.00 N ATOM 0 H ARG A 15 56.709 -6.021 -4.835 1.00 1.00 H new ATOM 0 HA ARG A 15 55.328 -4.624 -3.590 1.00 1.00 H new ATOM 0 HB2 ARG A 15 55.115 -5.524 -1.254 1.00 1.00 H new ATOM 0 HB3 ARG A 15 55.190 -6.797 -2.457 1.00 1.00 H new ATOM 0 HG2 ARG A 15 57.558 -7.209 -1.990 1.00 1.00 H new ATOM 0 HG3 ARG A 15 57.668 -5.778 -0.984 1.00 1.00 H new ATOM 0 HD2 ARG A 15 55.951 -8.245 -0.398 1.00 1.00 H new ATOM 0 HD3 ARG A 15 57.437 -7.815 0.426 1.00 1.00 H new ATOM 0 HE ARG A 15 55.692 -5.538 0.659 1.00 1.00 H new ATOM 0 HH11 ARG A 15 55.907 -8.916 1.534 1.00 1.00 H new ATOM 0 HH12 ARG A 15 54.955 -8.724 3.010 1.00 1.00 H new ATOM 0 HH21 ARG A 15 54.473 -5.292 2.547 1.00 1.00 H new ATOM 0 HH22 ARG A 15 54.150 -6.690 3.578 1.00 1.00 H new ATOM 233 N VAL A 16 57.686 -3.053 -3.071 1.00 1.00 N ATOM 234 CA VAL A 16 58.367 -1.879 -2.457 1.00 1.00 C ATOM 235 C VAL A 16 59.060 -2.314 -1.163 1.00 1.00 C ATOM 236 O VAL A 16 59.798 -3.278 -1.137 1.00 1.00 O ATOM 237 CB VAL A 16 57.332 -0.793 -2.149 1.00 1.00 C ATOM 238 CG1 VAL A 16 58.040 0.551 -1.967 1.00 1.00 C ATOM 239 CG2 VAL A 16 56.340 -0.692 -3.310 1.00 1.00 C ATOM 0 H VAL A 16 57.909 -3.221 -4.052 1.00 1.00 H new ATOM 0 HA VAL A 16 59.110 -1.483 -3.149 1.00 1.00 H new ATOM 0 HB VAL A 16 56.798 -1.049 -1.234 1.00 1.00 H new ATOM 0 HG11 VAL A 16 57.303 1.324 -1.748 1.00 1.00 H new ATOM 0 HG12 VAL A 16 58.748 0.480 -1.141 1.00 1.00 H new ATOM 0 HG13 VAL A 16 58.574 0.808 -2.882 1.00 1.00 H new ATOM 0 HG21 VAL A 16 55.603 0.081 -3.092 1.00 1.00 H new ATOM 0 HG22 VAL A 16 56.875 -0.436 -4.224 1.00 1.00 H new ATOM 0 HG23 VAL A 16 55.835 -1.649 -3.441 1.00 1.00 H new ATOM 249 N MET A 17 58.829 -1.611 -0.087 1.00 1.00 N ATOM 250 CA MET A 17 59.475 -1.986 1.203 1.00 1.00 C ATOM 251 C MET A 17 58.587 -2.987 1.947 1.00 1.00 C ATOM 252 O MET A 17 57.522 -3.347 1.487 1.00 1.00 O ATOM 253 CB MET A 17 59.666 -0.733 2.062 1.00 1.00 C ATOM 254 CG MET A 17 60.869 0.060 1.547 1.00 1.00 C ATOM 255 SD MET A 17 60.895 1.692 2.329 1.00 1.00 S ATOM 256 CE MET A 17 59.866 2.544 1.108 1.00 1.00 C ATOM 0 H MET A 17 58.221 -0.793 -0.046 1.00 1.00 H new ATOM 0 HA MET A 17 60.446 -2.441 1.005 1.00 1.00 H new ATOM 0 HB2 MET A 17 58.768 -0.116 2.028 1.00 1.00 H new ATOM 0 HB3 MET A 17 59.821 -1.013 3.104 1.00 1.00 H new ATOM 0 HG2 MET A 17 61.792 -0.475 1.767 1.00 1.00 H new ATOM 0 HG3 MET A 17 60.812 0.165 0.464 1.00 1.00 H new ATOM 0 HE1 MET A 17 59.748 3.588 1.397 1.00 1.00 H new ATOM 0 HE2 MET A 17 60.343 2.490 0.129 1.00 1.00 H new ATOM 0 HE3 MET A 17 58.887 2.067 1.061 1.00 1.00 H new ATOM 266 N GLY A 18 59.020 -3.440 3.092 1.00 1.00 N ATOM 267 CA GLY A 18 58.203 -4.419 3.864 1.00 1.00 C ATOM 268 C GLY A 18 57.110 -3.681 4.637 1.00 1.00 C ATOM 269 O GLY A 18 57.067 -3.711 5.851 1.00 1.00 O ATOM 0 H GLY A 18 59.904 -3.175 3.526 1.00 1.00 H new ATOM 0 HA2 GLY A 18 57.755 -5.147 3.188 1.00 1.00 H new ATOM 0 HA3 GLY A 18 58.839 -4.974 4.554 1.00 1.00 H new ATOM 273 N GLY A 19 56.223 -3.020 3.945 1.00 1.00 N ATOM 274 CA GLY A 19 55.130 -2.282 4.640 1.00 1.00 C ATOM 275 C GLY A 19 55.604 -0.871 4.993 1.00 1.00 C ATOM 276 O GLY A 19 56.711 -0.482 4.678 1.00 1.00 O ATOM 0 H GLY A 19 56.208 -2.959 2.927 1.00 1.00 H new ATOM 0 HA2 GLY A 19 54.249 -2.231 4.000 1.00 1.00 H new ATOM 0 HA3 GLY A 19 54.837 -2.814 5.545 1.00 1.00 H new ATOM 280 N PRO A 20 54.764 -0.111 5.644 1.00 1.00 N ATOM 281 CA PRO A 20 55.088 1.287 6.054 1.00 1.00 C ATOM 282 C PRO A 20 56.449 1.387 6.751 1.00 1.00 C ATOM 283 O PRO A 20 56.873 0.480 7.440 1.00 1.00 O ATOM 284 CB PRO A 20 53.959 1.651 7.023 1.00 1.00 C ATOM 285 CG PRO A 20 52.809 0.784 6.630 1.00 1.00 C ATOM 286 CD PRO A 20 53.407 -0.503 6.060 1.00 1.00 C ATOM 0 HA PRO A 20 55.158 1.956 5.196 1.00 1.00 H new ATOM 0 HB2 PRO A 20 54.254 1.469 8.057 1.00 1.00 H new ATOM 0 HB3 PRO A 20 53.700 2.707 6.946 1.00 1.00 H new ATOM 0 HG2 PRO A 20 52.174 0.569 7.490 1.00 1.00 H new ATOM 0 HG3 PRO A 20 52.184 1.282 5.889 1.00 1.00 H new ATOM 0 HD2 PRO A 20 53.432 -1.297 6.807 1.00 1.00 H new ATOM 0 HD3 PRO A 20 52.823 -0.876 5.218 1.00 1.00 H new ATOM 294 N CYS A 21 57.136 2.485 6.576 1.00 1.00 N ATOM 295 CA CYS A 21 58.468 2.652 7.225 1.00 1.00 C ATOM 296 C CYS A 21 58.587 4.071 7.784 1.00 1.00 C ATOM 297 O CYS A 21 58.521 5.042 7.057 1.00 1.00 O ATOM 298 CB CYS A 21 59.572 2.416 6.192 1.00 1.00 C ATOM 299 SG CYS A 21 61.175 2.342 7.029 1.00 1.00 S ATOM 0 H CYS A 21 56.830 3.276 6.009 1.00 1.00 H new ATOM 0 HA CYS A 21 58.570 1.932 8.036 1.00 1.00 H new ATOM 0 HB2 CYS A 21 59.388 1.487 5.653 1.00 1.00 H new ATOM 0 HB3 CYS A 21 59.572 3.218 5.454 1.00 1.00 H new ATOM 304 N THR A 22 58.761 4.201 9.071 1.00 1.00 N ATOM 305 CA THR A 22 58.883 5.561 9.671 1.00 1.00 C ATOM 306 C THR A 22 59.975 6.341 8.931 1.00 1.00 C ATOM 307 O THR A 22 60.866 5.761 8.342 1.00 1.00 O ATOM 308 CB THR A 22 59.252 5.439 11.159 1.00 1.00 C ATOM 309 OG1 THR A 22 60.617 5.790 11.337 1.00 1.00 O ATOM 310 CG2 THR A 22 59.028 4.000 11.626 1.00 1.00 C ATOM 0 H THR A 22 58.824 3.427 9.732 1.00 1.00 H new ATOM 0 HA THR A 22 57.933 6.087 9.581 1.00 1.00 H new ATOM 0 HB THR A 22 58.625 6.110 11.745 1.00 1.00 H new ATOM 0 HG1 THR A 22 60.853 5.714 12.285 1.00 1.00 H new ATOM 0 HG21 THR A 22 59.290 3.915 12.681 1.00 1.00 H new ATOM 0 HG22 THR A 22 57.980 3.732 11.489 1.00 1.00 H new ATOM 0 HG23 THR A 22 59.654 3.326 11.041 1.00 1.00 H new ATOM 318 N PRO A 23 59.909 7.648 8.960 1.00 1.00 N ATOM 319 CA PRO A 23 60.912 8.519 8.280 1.00 1.00 C ATOM 320 C PRO A 23 62.268 8.502 8.995 1.00 1.00 C ATOM 321 O PRO A 23 62.467 9.181 9.983 1.00 1.00 O ATOM 322 CB PRO A 23 60.284 9.916 8.343 1.00 1.00 C ATOM 323 CG PRO A 23 59.371 9.880 9.524 1.00 1.00 C ATOM 324 CD PRO A 23 58.874 8.438 9.646 1.00 1.00 C ATOM 0 HA PRO A 23 61.120 8.185 7.264 1.00 1.00 H new ATOM 0 HB2 PRO A 23 61.047 10.686 8.458 1.00 1.00 H new ATOM 0 HB3 PRO A 23 59.736 10.144 7.428 1.00 1.00 H new ATOM 0 HG2 PRO A 23 59.895 10.187 10.429 1.00 1.00 H new ATOM 0 HG3 PRO A 23 58.536 10.568 9.390 1.00 1.00 H new ATOM 0 HD2 PRO A 23 58.768 8.139 10.689 1.00 1.00 H new ATOM 0 HD3 PRO A 23 57.898 8.311 9.177 1.00 1.00 H new ATOM 332 N ARG A 24 63.201 7.731 8.504 1.00 1.00 N ATOM 333 CA ARG A 24 64.541 7.669 9.157 1.00 1.00 C ATOM 334 C ARG A 24 65.476 8.691 8.507 1.00 1.00 C ATOM 335 O ARG A 24 65.901 8.530 7.380 1.00 1.00 O ATOM 336 CB ARG A 24 65.126 6.266 8.987 1.00 1.00 C ATOM 337 CG ARG A 24 66.358 6.114 9.882 1.00 1.00 C ATOM 338 CD ARG A 24 67.143 4.870 9.464 1.00 1.00 C ATOM 339 NE ARG A 24 66.227 3.695 9.423 1.00 1.00 N ATOM 340 CZ ARG A 24 65.852 3.122 10.534 1.00 1.00 C ATOM 341 NH1 ARG A 24 66.278 3.578 11.680 1.00 1.00 N ATOM 342 NH2 ARG A 24 65.050 2.093 10.499 1.00 1.00 N ATOM 0 HA ARG A 24 64.437 7.895 10.218 1.00 1.00 H new ATOM 0 HB2 ARG A 24 64.380 5.515 9.247 1.00 1.00 H new ATOM 0 HB3 ARG A 24 65.398 6.098 7.945 1.00 1.00 H new ATOM 0 HG2 ARG A 24 66.989 6.999 9.803 1.00 1.00 H new ATOM 0 HG3 ARG A 24 66.054 6.032 10.926 1.00 1.00 H new ATOM 0 HD2 ARG A 24 67.597 5.025 8.485 1.00 1.00 H new ATOM 0 HD3 ARG A 24 67.956 4.687 10.167 1.00 1.00 H new ATOM 0 HE ARG A 24 65.893 3.339 8.527 1.00 1.00 H new ATOM 0 HH11 ARG A 24 66.904 4.383 11.708 1.00 1.00 H new ATOM 0 HH12 ARG A 24 65.985 3.130 12.548 1.00 1.00 H new ATOM 0 HH21 ARG A 24 64.716 1.737 9.603 1.00 1.00 H new ATOM 0 HH22 ARG A 24 64.757 1.645 11.367 1.00 1.00 H new ATOM 356 N LYS A 25 65.803 9.742 9.210 1.00 1.00 N ATOM 357 CA LYS A 25 66.714 10.772 8.635 1.00 1.00 C ATOM 358 C LYS A 25 68.164 10.397 8.954 1.00 1.00 C ATOM 359 O LYS A 25 69.066 10.653 8.182 1.00 1.00 O ATOM 360 CB LYS A 25 66.390 12.139 9.248 1.00 1.00 C ATOM 361 CG LYS A 25 65.985 11.962 10.713 1.00 1.00 C ATOM 362 CD LYS A 25 64.469 11.770 10.804 1.00 1.00 C ATOM 363 CE LYS A 25 63.785 13.136 10.889 1.00 1.00 C ATOM 364 NZ LYS A 25 62.307 12.952 10.882 1.00 1.00 N ATOM 0 H LYS A 25 65.478 9.931 10.158 1.00 1.00 H new ATOM 0 HA LYS A 25 66.579 10.820 7.554 1.00 1.00 H new ATOM 0 HB2 LYS A 25 67.257 12.795 9.177 1.00 1.00 H new ATOM 0 HB3 LYS A 25 65.583 12.616 8.692 1.00 1.00 H new ATOM 0 HG2 LYS A 25 66.498 11.101 11.142 1.00 1.00 H new ATOM 0 HG3 LYS A 25 66.287 12.834 11.293 1.00 1.00 H new ATOM 0 HD2 LYS A 25 64.108 11.224 9.932 1.00 1.00 H new ATOM 0 HD3 LYS A 25 64.220 11.172 11.680 1.00 1.00 H new ATOM 0 HE2 LYS A 25 64.094 13.653 11.797 1.00 1.00 H new ATOM 0 HE3 LYS A 25 64.089 13.760 10.048 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 61.841 13.880 10.940 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 62.021 12.475 10.003 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 62.025 12.372 11.698 1.00 1.00 H new ATOM 378 N GLY A 26 68.393 9.789 10.086 1.00 1.00 N ATOM 379 CA GLY A 26 69.783 9.394 10.454 1.00 1.00 C ATOM 380 C GLY A 26 70.656 10.643 10.587 1.00 1.00 C ATOM 381 O GLY A 26 71.466 10.941 9.732 1.00 1.00 O ATOM 0 H GLY A 26 67.678 9.549 10.772 1.00 1.00 H new ATOM 0 HA2 GLY A 26 69.778 8.841 11.393 1.00 1.00 H new ATOM 0 HA3 GLY A 26 70.196 8.729 9.695 1.00 1.00 H new ATOM 385 N PRO A 27 70.486 11.365 11.660 1.00 1.00 N ATOM 386 CA PRO A 27 71.259 12.610 11.938 1.00 1.00 C ATOM 387 C PRO A 27 72.736 12.306 12.225 1.00 1.00 C ATOM 388 O PRO A 27 73.133 11.160 12.306 1.00 1.00 O ATOM 389 CB PRO A 27 70.571 13.213 13.179 1.00 1.00 C ATOM 390 CG PRO A 27 69.309 12.439 13.379 1.00 1.00 C ATOM 391 CD PRO A 27 69.526 11.074 12.732 1.00 1.00 C ATOM 0 HA PRO A 27 71.261 13.289 11.085 1.00 1.00 H new ATOM 0 HB2 PRO A 27 71.215 13.138 14.055 1.00 1.00 H new ATOM 0 HB3 PRO A 27 70.358 14.271 13.029 1.00 1.00 H new ATOM 0 HG2 PRO A 27 69.084 12.333 14.440 1.00 1.00 H new ATOM 0 HG3 PRO A 27 68.463 12.953 12.923 1.00 1.00 H new ATOM 0 HD2 PRO A 27 69.922 10.349 13.443 1.00 1.00 H new ATOM 0 HD3 PRO A 27 68.597 10.661 12.340 1.00 1.00 H new ATOM 399 N PRO A 28 73.544 13.324 12.374 1.00 1.00 N ATOM 400 CA PRO A 28 74.999 13.157 12.654 1.00 1.00 C ATOM 401 C PRO A 28 75.264 12.097 13.728 1.00 1.00 C ATOM 402 O PRO A 28 74.676 12.115 14.791 1.00 1.00 O ATOM 403 CB PRO A 28 75.431 14.543 13.137 1.00 1.00 C ATOM 404 CG PRO A 28 74.485 15.494 12.481 1.00 1.00 C ATOM 405 CD PRO A 28 73.163 14.744 12.292 1.00 1.00 C ATOM 0 HA PRO A 28 75.549 12.813 11.778 1.00 1.00 H new ATOM 0 HB2 PRO A 28 75.375 14.617 14.223 1.00 1.00 H new ATOM 0 HB3 PRO A 28 76.462 14.755 12.855 1.00 1.00 H new ATOM 0 HG2 PRO A 28 74.341 16.382 13.096 1.00 1.00 H new ATOM 0 HG3 PRO A 28 74.879 15.831 11.522 1.00 1.00 H new ATOM 0 HD2 PRO A 28 72.440 15.009 13.064 1.00 1.00 H new ATOM 0 HD3 PRO A 28 72.704 14.979 11.332 1.00 1.00 H new ATOM 413 N LYS A 29 76.145 11.173 13.457 1.00 1.00 N ATOM 414 CA LYS A 29 76.447 10.112 14.458 1.00 1.00 C ATOM 415 C LYS A 29 77.659 9.303 13.993 1.00 1.00 C ATOM 416 O LYS A 29 78.652 9.201 14.686 1.00 1.00 O ATOM 417 CB LYS A 29 75.237 9.186 14.599 1.00 1.00 C ATOM 418 CG LYS A 29 75.540 8.102 15.635 1.00 1.00 C ATOM 419 CD LYS A 29 74.234 7.448 16.088 1.00 1.00 C ATOM 420 CE LYS A 29 73.656 8.227 17.271 1.00 1.00 C ATOM 421 NZ LYS A 29 74.439 7.918 18.500 1.00 1.00 N ATOM 0 H LYS A 29 76.669 11.107 12.584 1.00 1.00 H new ATOM 0 HA LYS A 29 76.666 10.572 15.422 1.00 1.00 H new ATOM 0 HB2 LYS A 29 74.361 9.759 14.903 1.00 1.00 H new ATOM 0 HB3 LYS A 29 75.002 8.729 13.638 1.00 1.00 H new ATOM 0 HG2 LYS A 29 76.205 7.352 15.208 1.00 1.00 H new ATOM 0 HG3 LYS A 29 76.057 8.536 16.491 1.00 1.00 H new ATOM 0 HD2 LYS A 29 73.519 7.432 15.266 1.00 1.00 H new ATOM 0 HD3 LYS A 29 74.414 6.412 16.374 1.00 1.00 H new ATOM 0 HE2 LYS A 29 73.688 9.297 17.066 1.00 1.00 H new ATOM 0 HE3 LYS A 29 72.609 7.962 17.418 1.00 1.00 H new ATOM 0 HZ1 LYS A 29 73.862 8.124 19.340 1.00 1.00 H new ATOM 0 HZ2 LYS A 29 74.703 6.912 18.499 1.00 1.00 H new ATOM 0 HZ3 LYS A 29 75.299 8.502 18.519 1.00 1.00 H new ATOM 435 N CYS A 30 77.588 8.727 12.823 1.00 1.00 N ATOM 436 CA CYS A 30 78.737 7.927 12.315 1.00 1.00 C ATOM 437 C CYS A 30 80.027 8.736 12.471 1.00 1.00 C ATOM 438 O CYS A 30 80.002 9.943 12.603 1.00 1.00 O ATOM 439 CB CYS A 30 78.511 7.594 10.835 1.00 1.00 C ATOM 440 SG CYS A 30 80.107 7.344 10.020 1.00 1.00 S ATOM 0 H CYS A 30 76.784 8.777 12.198 1.00 1.00 H new ATOM 0 HA CYS A 30 78.820 7.001 12.884 1.00 1.00 H new ATOM 0 HB2 CYS A 30 77.899 6.696 10.743 1.00 1.00 H new ATOM 0 HB3 CYS A 30 77.965 8.403 10.349 1.00 1.00 H new ATOM 445 N LYS A 31 81.155 8.078 12.458 1.00 1.00 N ATOM 446 CA LYS A 31 82.449 8.806 12.607 1.00 1.00 C ATOM 447 C LYS A 31 82.989 9.174 11.223 1.00 1.00 C ATOM 448 O LYS A 31 84.065 8.763 10.837 1.00 1.00 O ATOM 449 CB LYS A 31 83.458 7.907 13.326 1.00 1.00 C ATOM 450 CG LYS A 31 82.780 7.229 14.519 1.00 1.00 C ATOM 451 CD LYS A 31 82.221 8.295 15.463 1.00 1.00 C ATOM 452 CE LYS A 31 81.891 7.659 16.814 1.00 1.00 C ATOM 453 NZ LYS A 31 83.120 7.037 17.384 1.00 1.00 N ATOM 0 H LYS A 31 81.237 7.067 12.351 1.00 1.00 H new ATOM 0 HA LYS A 31 82.291 9.714 13.189 1.00 1.00 H new ATOM 0 HB2 LYS A 31 83.845 7.155 12.639 1.00 1.00 H new ATOM 0 HB3 LYS A 31 84.309 8.497 13.665 1.00 1.00 H new ATOM 0 HG2 LYS A 31 81.977 6.578 14.173 1.00 1.00 H new ATOM 0 HG3 LYS A 31 83.496 6.599 15.048 1.00 1.00 H new ATOM 0 HD2 LYS A 31 82.948 9.097 15.594 1.00 1.00 H new ATOM 0 HD3 LYS A 31 81.326 8.744 15.032 1.00 1.00 H new ATOM 0 HE2 LYS A 31 81.502 8.413 17.498 1.00 1.00 H new ATOM 0 HE3 LYS A 31 81.112 6.906 16.693 1.00 1.00 H new ATOM 0 HZ1 LYS A 31 83.147 7.199 18.411 1.00 1.00 H new ATOM 0 HZ2 LYS A 31 83.111 6.014 17.195 1.00 1.00 H new ATOM 0 HZ3 LYS A 31 83.961 7.463 16.944 1.00 1.00 H new ATOM 467 N GLN A 32 82.251 9.945 10.473 1.00 1.00 N ATOM 468 CA GLN A 32 82.723 10.338 9.115 1.00 1.00 C ATOM 469 C GLN A 32 84.140 10.909 9.212 1.00 1.00 C ATOM 470 O GLN A 32 84.424 11.753 10.038 1.00 1.00 O ATOM 471 CB GLN A 32 81.785 11.401 8.534 1.00 1.00 C ATOM 472 CG GLN A 32 80.383 10.812 8.363 1.00 1.00 C ATOM 473 CD GLN A 32 79.602 10.965 9.669 1.00 1.00 C ATOM 474 OE1 GLN A 32 80.155 11.352 10.680 1.00 1.00 O ATOM 475 NE2 GLN A 32 78.330 10.676 9.692 1.00 1.00 N ATOM 0 H GLN A 32 81.341 10.320 10.742 1.00 1.00 H new ATOM 0 HA GLN A 32 82.727 9.462 8.466 1.00 1.00 H new ATOM 0 HB2 GLN A 32 81.748 12.268 9.194 1.00 1.00 H new ATOM 0 HB3 GLN A 32 82.164 11.748 7.573 1.00 1.00 H new ATOM 0 HG2 GLN A 32 79.860 11.320 7.553 1.00 1.00 H new ATOM 0 HG3 GLN A 32 80.450 9.759 8.088 1.00 1.00 H new ATOM 0 HE21 GLN A 32 77.865 10.351 8.844 1.00 1.00 H new ATOM 0 HE22 GLN A 32 77.800 10.775 10.558 1.00 1.00 H new ATOM 484 N ARG A 33 85.031 10.456 8.372 1.00 1.00 N ATOM 485 CA ARG A 33 86.428 10.975 8.417 1.00 1.00 C ATOM 486 C ARG A 33 86.424 12.473 8.106 1.00 1.00 C ATOM 487 O ARG A 33 85.896 13.270 8.854 1.00 1.00 O ATOM 488 CB ARG A 33 87.283 10.243 7.376 1.00 1.00 C ATOM 489 CG ARG A 33 86.531 10.178 6.045 1.00 1.00 C ATOM 490 CD ARG A 33 86.022 8.753 5.815 1.00 1.00 C ATOM 491 NE ARG A 33 85.503 8.199 7.097 1.00 1.00 N ATOM 492 CZ ARG A 33 84.876 7.054 7.106 1.00 1.00 C ATOM 493 NH1 ARG A 33 84.705 6.395 5.992 1.00 1.00 N ATOM 494 NH2 ARG A 33 84.421 6.568 8.228 1.00 1.00 N ATOM 0 H ARG A 33 84.852 9.750 7.658 1.00 1.00 H new ATOM 0 HA ARG A 33 86.844 10.808 9.411 1.00 1.00 H new ATOM 0 HB2 ARG A 33 88.233 10.760 7.243 1.00 1.00 H new ATOM 0 HB3 ARG A 33 87.514 9.236 7.724 1.00 1.00 H new ATOM 0 HG2 ARG A 33 85.695 10.877 6.053 1.00 1.00 H new ATOM 0 HG3 ARG A 33 87.189 10.477 5.229 1.00 1.00 H new ATOM 0 HD2 ARG A 33 85.235 8.754 5.061 1.00 1.00 H new ATOM 0 HD3 ARG A 33 86.827 8.125 5.434 1.00 1.00 H new ATOM 0 HE ARG A 33 85.637 8.714 7.967 1.00 1.00 H new ATOM 0 HH11 ARG A 33 85.061 6.775 5.115 1.00 1.00 H new ATOM 0 HH12 ARG A 33 84.215 5.500 5.999 1.00 1.00 H new ATOM 0 HH21 ARG A 33 84.555 7.083 9.098 1.00 1.00 H new ATOM 0 HH22 ARG A 33 83.931 5.673 8.235 1.00 1.00 H new ATOM 508 N GLN A 34 87.009 12.861 7.004 1.00 1.00 N ATOM 509 CA GLN A 34 87.039 14.307 6.643 1.00 1.00 C ATOM 510 C GLN A 34 87.386 14.450 5.156 1.00 1.00 C ATOM 511 O GLN A 34 88.540 14.512 4.781 1.00 1.00 O ATOM 512 CB GLN A 34 88.097 15.023 7.498 1.00 1.00 C ATOM 513 CG GLN A 34 87.405 15.972 8.479 1.00 1.00 C ATOM 514 CD GLN A 34 88.458 16.676 9.337 1.00 1.00 C ATOM 515 OE1 GLN A 34 89.084 17.621 8.898 1.00 1.00 O ATOM 516 NE2 GLN A 34 88.681 16.254 10.551 1.00 1.00 N ATOM 0 H GLN A 34 87.467 12.238 6.339 1.00 1.00 H new ATOM 0 HA GLN A 34 86.063 14.755 6.830 1.00 1.00 H new ATOM 0 HB2 GLN A 34 88.695 14.292 8.043 1.00 1.00 H new ATOM 0 HB3 GLN A 34 88.781 15.580 6.858 1.00 1.00 H new ATOM 0 HG2 GLN A 34 86.814 16.708 7.934 1.00 1.00 H new ATOM 0 HG3 GLN A 34 86.715 15.416 9.114 1.00 1.00 H new ATOM 0 HE21 GLN A 34 88.156 15.461 10.920 1.00 1.00 H new ATOM 0 HE22 GLN A 34 89.380 16.717 11.131 1.00 1.00 H new ATOM 525 N THR A 35 86.394 14.504 4.309 1.00 1.00 N ATOM 526 CA THR A 35 86.661 14.645 2.848 1.00 1.00 C ATOM 527 C THR A 35 85.485 15.368 2.188 1.00 1.00 C ATOM 528 O THR A 35 85.662 16.191 1.311 1.00 1.00 O ATOM 529 CB THR A 35 86.822 13.258 2.221 1.00 1.00 C ATOM 530 OG1 THR A 35 85.661 12.484 2.486 1.00 1.00 O ATOM 531 CG2 THR A 35 88.048 12.565 2.818 1.00 1.00 C ATOM 0 H THR A 35 85.408 14.456 4.566 1.00 1.00 H new ATOM 0 HA THR A 35 87.576 15.219 2.698 1.00 1.00 H new ATOM 0 HB THR A 35 86.954 13.358 1.144 1.00 1.00 H new ATOM 0 HG1 THR A 35 85.761 11.596 2.084 1.00 1.00 H new ATOM 0 HG21 THR A 35 88.162 11.577 2.371 1.00 1.00 H new ATOM 0 HG22 THR A 35 88.938 13.160 2.614 1.00 1.00 H new ATOM 0 HG23 THR A 35 87.919 12.463 3.896 1.00 1.00 H new ATOM 539 N ARG A 36 84.286 15.066 2.606 1.00 1.00 N ATOM 540 CA ARG A 36 83.093 15.732 2.010 1.00 1.00 C ATOM 541 C ARG A 36 83.092 15.530 0.492 1.00 1.00 C ATOM 542 O ARG A 36 82.262 16.070 -0.212 1.00 1.00 O ATOM 543 CB ARG A 36 83.131 17.230 2.331 1.00 1.00 C ATOM 544 CG ARG A 36 83.354 17.425 3.832 1.00 1.00 C ATOM 545 CD ARG A 36 83.237 18.911 4.177 1.00 1.00 C ATOM 546 NE ARG A 36 84.480 19.617 3.756 1.00 1.00 N ATOM 547 CZ ARG A 36 84.534 20.206 2.593 1.00 1.00 C ATOM 548 NH1 ARG A 36 83.499 20.175 1.798 1.00 1.00 N ATOM 549 NH2 ARG A 36 85.622 20.825 2.224 1.00 1.00 N ATOM 0 H ARG A 36 84.081 14.385 3.337 1.00 1.00 H new ATOM 0 HA ARG A 36 82.187 15.294 2.430 1.00 1.00 H new ATOM 0 HB2 ARG A 36 83.930 17.713 1.768 1.00 1.00 H new ATOM 0 HB3 ARG A 36 82.196 17.702 2.027 1.00 1.00 H new ATOM 0 HG2 ARG A 36 82.620 16.851 4.397 1.00 1.00 H new ATOM 0 HG3 ARG A 36 84.338 17.051 4.116 1.00 1.00 H new ATOM 0 HD2 ARG A 36 82.372 19.345 3.676 1.00 1.00 H new ATOM 0 HD3 ARG A 36 83.080 19.036 5.248 1.00 1.00 H new ATOM 0 HE ARG A 36 85.289 19.640 4.377 1.00 1.00 H new ATOM 0 HH11 ARG A 36 82.649 19.691 2.086 1.00 1.00 H new ATOM 0 HH12 ARG A 36 83.540 20.635 0.889 1.00 1.00 H new ATOM 0 HH21 ARG A 36 86.431 20.849 2.845 1.00 1.00 H new ATOM 0 HH22 ARG A 36 85.663 21.285 1.315 1.00 1.00 H new ATOM 563 N GLN A 37 84.011 14.753 -0.019 1.00 1.00 N ATOM 564 CA GLN A 37 84.054 14.520 -1.493 1.00 1.00 C ATOM 565 C GLN A 37 84.758 13.191 -1.788 1.00 1.00 C ATOM 566 O GLN A 37 84.635 12.643 -2.865 1.00 1.00 O ATOM 567 CB GLN A 37 84.824 15.658 -2.168 1.00 1.00 C ATOM 568 CG GLN A 37 83.969 16.927 -2.167 1.00 1.00 C ATOM 569 CD GLN A 37 84.578 17.954 -3.123 1.00 1.00 C ATOM 570 OE1 GLN A 37 85.649 18.473 -2.875 1.00 1.00 O ATOM 571 NE2 GLN A 37 83.937 18.272 -4.214 1.00 1.00 N ATOM 0 H GLN A 37 84.731 14.271 0.519 1.00 1.00 H new ATOM 0 HA GLN A 37 83.035 14.485 -1.879 1.00 1.00 H new ATOM 0 HB2 GLN A 37 85.761 15.839 -1.642 1.00 1.00 H new ATOM 0 HB3 GLN A 37 85.080 15.381 -3.191 1.00 1.00 H new ATOM 0 HG2 GLN A 37 82.949 16.691 -2.471 1.00 1.00 H new ATOM 0 HG3 GLN A 37 83.914 17.340 -1.160 1.00 1.00 H new ATOM 0 HE21 GLN A 37 83.038 17.837 -4.423 1.00 1.00 H new ATOM 0 HE22 GLN A 37 84.335 18.956 -4.858 1.00 1.00 H new ATOM 580 N CYS A 38 85.496 12.673 -0.842 1.00 1.00 N ATOM 581 CA CYS A 38 86.212 11.383 -1.066 1.00 1.00 C ATOM 582 C CYS A 38 87.115 11.504 -2.297 1.00 1.00 C ATOM 583 O CYS A 38 86.924 12.361 -3.138 1.00 1.00 O ATOM 584 CB CYS A 38 85.193 10.261 -1.284 1.00 1.00 C ATOM 585 SG CYS A 38 86.025 8.822 -2.000 1.00 1.00 S ATOM 0 H CYS A 38 85.634 13.089 0.079 1.00 1.00 H new ATOM 0 HA CYS A 38 86.822 11.152 -0.193 1.00 1.00 H new ATOM 0 HB2 CYS A 38 84.726 9.991 -0.337 1.00 1.00 H new ATOM 0 HB3 CYS A 38 84.397 10.601 -1.947 1.00 1.00 H new ATOM 590 N LYS A 39 88.102 10.652 -2.406 1.00 1.00 N ATOM 591 CA LYS A 39 89.026 10.712 -3.579 1.00 1.00 C ATOM 592 C LYS A 39 88.685 9.588 -4.560 1.00 1.00 C ATOM 593 O LYS A 39 87.805 8.786 -4.321 1.00 1.00 O ATOM 594 CB LYS A 39 90.473 10.539 -3.101 1.00 1.00 C ATOM 595 CG LYS A 39 90.790 11.582 -2.028 1.00 1.00 C ATOM 596 CD LYS A 39 90.586 10.968 -0.642 1.00 1.00 C ATOM 597 CE LYS A 39 90.653 12.068 0.420 1.00 1.00 C ATOM 598 NZ LYS A 39 89.600 13.086 0.148 1.00 1.00 N ATOM 0 H LYS A 39 88.309 9.915 -1.731 1.00 1.00 H new ATOM 0 HA LYS A 39 88.915 11.677 -4.074 1.00 1.00 H new ATOM 0 HB2 LYS A 39 90.616 9.536 -2.700 1.00 1.00 H new ATOM 0 HB3 LYS A 39 91.159 10.647 -3.941 1.00 1.00 H new ATOM 0 HG2 LYS A 39 91.818 11.929 -2.136 1.00 1.00 H new ATOM 0 HG3 LYS A 39 90.145 12.452 -2.150 1.00 1.00 H new ATOM 0 HD2 LYS A 39 89.622 10.462 -0.596 1.00 1.00 H new ATOM 0 HD3 LYS A 39 91.351 10.216 -0.450 1.00 1.00 H new ATOM 0 HE2 LYS A 39 90.512 11.639 1.412 1.00 1.00 H new ATOM 0 HE3 LYS A 39 91.637 12.536 0.412 1.00 1.00 H new ATOM 0 HZ1 LYS A 39 89.566 13.769 0.932 1.00 1.00 H new ATOM 0 HZ2 LYS A 39 89.821 13.586 -0.737 1.00 1.00 H new ATOM 0 HZ3 LYS A 39 88.677 12.615 0.059 1.00 1.00 H new ATOM 612 N SER A 40 89.381 9.524 -5.664 1.00 1.00 N ATOM 613 CA SER A 40 89.103 8.453 -6.663 1.00 1.00 C ATOM 614 C SER A 40 89.902 7.199 -6.300 1.00 1.00 C ATOM 615 O SER A 40 89.398 6.094 -6.347 1.00 1.00 O ATOM 616 CB SER A 40 89.517 8.934 -8.054 1.00 1.00 C ATOM 617 OG SER A 40 90.857 9.404 -8.008 1.00 1.00 O ATOM 0 H SER A 40 90.131 10.168 -5.917 1.00 1.00 H new ATOM 0 HA SER A 40 88.038 8.221 -6.660 1.00 1.00 H new ATOM 0 HB2 SER A 40 89.429 8.120 -8.774 1.00 1.00 H new ATOM 0 HB3 SER A 40 88.852 9.730 -8.389 1.00 1.00 H new ATOM 0 HG SER A 40 91.127 9.712 -8.899 1.00 1.00 H new ATOM 623 N LYS A 41 91.147 7.361 -5.941 1.00 1.00 N ATOM 624 CA LYS A 41 91.982 6.180 -5.576 1.00 1.00 C ATOM 625 C LYS A 41 91.780 5.856 -4.086 1.00 1.00 C ATOM 626 O LYS A 41 92.121 6.648 -3.230 1.00 1.00 O ATOM 627 CB LYS A 41 93.463 6.513 -5.831 1.00 1.00 C ATOM 628 CG LYS A 41 93.977 5.693 -7.016 1.00 1.00 C ATOM 629 CD LYS A 41 93.366 6.228 -8.312 1.00 1.00 C ATOM 630 CE LYS A 41 93.770 5.325 -9.479 1.00 1.00 C ATOM 631 NZ LYS A 41 95.194 4.917 -9.321 1.00 1.00 N ATOM 0 H LYS A 41 91.623 8.262 -5.885 1.00 1.00 H new ATOM 0 HA LYS A 41 91.690 5.320 -6.178 1.00 1.00 H new ATOM 0 HB2 LYS A 41 93.577 7.578 -6.036 1.00 1.00 H new ATOM 0 HB3 LYS A 41 94.054 6.295 -4.941 1.00 1.00 H new ATOM 0 HG2 LYS A 41 95.065 5.748 -7.065 1.00 1.00 H new ATOM 0 HG3 LYS A 41 93.716 4.643 -6.885 1.00 1.00 H new ATOM 0 HD2 LYS A 41 92.280 6.265 -8.226 1.00 1.00 H new ATOM 0 HD3 LYS A 41 93.706 7.248 -8.493 1.00 1.00 H new ATOM 0 HE2 LYS A 41 93.129 4.444 -9.510 1.00 1.00 H new ATOM 0 HE3 LYS A 41 93.634 5.851 -10.424 1.00 1.00 H new ATOM 0 HZ1 LYS A 41 95.569 4.604 -10.239 1.00 1.00 H new ATOM 0 HZ2 LYS A 41 95.751 5.725 -8.977 1.00 1.00 H new ATOM 0 HZ3 LYS A 41 95.258 4.137 -8.636 1.00 1.00 H new ATOM 645 N PRO A 42 91.233 4.704 -3.769 1.00 1.00 N ATOM 646 CA PRO A 42 90.999 4.297 -2.355 1.00 1.00 C ATOM 647 C PRO A 42 92.278 3.772 -1.688 1.00 1.00 C ATOM 648 O PRO A 42 93.216 3.383 -2.355 1.00 1.00 O ATOM 649 CB PRO A 42 89.957 3.185 -2.475 1.00 1.00 C ATOM 650 CG PRO A 42 90.206 2.569 -3.814 1.00 1.00 C ATOM 651 CD PRO A 42 90.779 3.670 -4.714 1.00 1.00 C ATOM 0 HA PRO A 42 90.675 5.132 -1.733 1.00 1.00 H new ATOM 0 HB2 PRO A 42 90.067 2.452 -1.676 1.00 1.00 H new ATOM 0 HB3 PRO A 42 88.945 3.583 -2.405 1.00 1.00 H new ATOM 0 HG2 PRO A 42 90.904 1.736 -3.732 1.00 1.00 H new ATOM 0 HG3 PRO A 42 89.282 2.170 -4.233 1.00 1.00 H new ATOM 0 HD2 PRO A 42 91.602 3.298 -5.324 1.00 1.00 H new ATOM 0 HD3 PRO A 42 90.025 4.059 -5.398 1.00 1.00 H new ATOM 659 N PRO A 43 92.311 3.759 -0.380 1.00 1.00 N ATOM 660 CA PRO A 43 93.494 3.272 0.389 1.00 1.00 C ATOM 661 C PRO A 43 93.654 1.750 0.298 1.00 1.00 C ATOM 662 O PRO A 43 92.741 1.002 0.587 1.00 1.00 O ATOM 663 CB PRO A 43 93.191 3.697 1.830 1.00 1.00 C ATOM 664 CG PRO A 43 91.704 3.798 1.903 1.00 1.00 C ATOM 665 CD PRO A 43 91.225 4.204 0.508 1.00 1.00 C ATOM 0 HA PRO A 43 94.428 3.682 0.004 1.00 1.00 H new ATOM 0 HB2 PRO A 43 93.572 2.967 2.544 1.00 1.00 H new ATOM 0 HB3 PRO A 43 93.663 4.651 2.067 1.00 1.00 H new ATOM 0 HG2 PRO A 43 91.265 2.846 2.202 1.00 1.00 H new ATOM 0 HG3 PRO A 43 91.402 4.536 2.646 1.00 1.00 H new ATOM 0 HD2 PRO A 43 90.279 3.725 0.255 1.00 1.00 H new ATOM 0 HD3 PRO A 43 91.066 5.280 0.437 1.00 1.00 H new ATOM 673 N LYS A 44 94.808 1.288 -0.101 1.00 1.00 N ATOM 674 CA LYS A 44 95.026 -0.183 -0.209 1.00 1.00 C ATOM 675 C LYS A 44 93.903 -0.806 -1.040 1.00 1.00 C ATOM 676 O LYS A 44 92.825 -1.069 -0.546 1.00 1.00 O ATOM 677 CB LYS A 44 95.029 -0.804 1.190 1.00 1.00 C ATOM 678 CG LYS A 44 96.261 -0.325 1.961 1.00 1.00 C ATOM 679 CD LYS A 44 96.475 -1.215 3.186 1.00 1.00 C ATOM 680 CE LYS A 44 95.403 -0.910 4.234 1.00 1.00 C ATOM 681 NZ LYS A 44 95.385 0.553 4.514 1.00 1.00 N ATOM 0 H LYS A 44 95.609 1.865 -0.357 1.00 1.00 H new ATOM 0 HA LYS A 44 95.984 -0.372 -0.693 1.00 1.00 H new ATOM 0 HB2 LYS A 44 94.121 -0.525 1.725 1.00 1.00 H new ATOM 0 HB3 LYS A 44 95.034 -1.891 1.116 1.00 1.00 H new ATOM 0 HG2 LYS A 44 97.140 -0.356 1.318 1.00 1.00 H new ATOM 0 HG3 LYS A 44 96.129 0.712 2.270 1.00 1.00 H new ATOM 0 HD2 LYS A 44 96.428 -2.265 2.898 1.00 1.00 H new ATOM 0 HD3 LYS A 44 97.467 -1.043 3.604 1.00 1.00 H new ATOM 0 HE2 LYS A 44 94.426 -1.235 3.876 1.00 1.00 H new ATOM 0 HE3 LYS A 44 95.607 -1.464 5.150 1.00 1.00 H new ATOM 0 HZ1 LYS A 44 95.035 0.717 5.480 1.00 1.00 H new ATOM 0 HZ2 LYS A 44 96.348 0.935 4.425 1.00 1.00 H new ATOM 0 HZ3 LYS A 44 94.759 1.029 3.833 1.00 1.00 H new ATOM 695 N LYS A 45 94.147 -1.048 -2.299 1.00 1.00 N ATOM 696 CA LYS A 45 93.092 -1.656 -3.158 1.00 1.00 C ATOM 697 C LYS A 45 92.899 -3.121 -2.761 1.00 1.00 C ATOM 698 O LYS A 45 93.850 -3.853 -2.568 1.00 1.00 O ATOM 699 CB LYS A 45 93.519 -1.576 -4.625 1.00 1.00 C ATOM 700 CG LYS A 45 93.490 -0.118 -5.088 1.00 1.00 C ATOM 701 CD LYS A 45 93.976 -0.032 -6.536 1.00 1.00 C ATOM 702 CE LYS A 45 92.793 -0.239 -7.484 1.00 1.00 C ATOM 703 NZ LYS A 45 91.935 0.979 -7.481 1.00 1.00 N ATOM 0 H LYS A 45 95.030 -0.851 -2.769 1.00 1.00 H new ATOM 0 HA LYS A 45 92.155 -1.115 -3.024 1.00 1.00 H new ATOM 0 HB2 LYS A 45 94.521 -1.987 -4.746 1.00 1.00 H new ATOM 0 HB3 LYS A 45 92.852 -2.178 -5.242 1.00 1.00 H new ATOM 0 HG2 LYS A 45 92.478 0.280 -5.009 1.00 1.00 H new ATOM 0 HG3 LYS A 45 94.124 0.492 -4.444 1.00 1.00 H new ATOM 0 HD2 LYS A 45 94.437 0.939 -6.719 1.00 1.00 H new ATOM 0 HD3 LYS A 45 94.740 -0.788 -6.720 1.00 1.00 H new ATOM 0 HE2 LYS A 45 93.153 -0.441 -8.493 1.00 1.00 H new ATOM 0 HE3 LYS A 45 92.212 -1.107 -7.173 1.00 1.00 H new ATOM 0 HZ1 LYS A 45 91.397 1.027 -8.370 1.00 1.00 H new ATOM 0 HZ2 LYS A 45 91.275 0.937 -6.679 1.00 1.00 H new ATOM 0 HZ3 LYS A 45 92.533 1.825 -7.393 1.00 1.00 H new ATOM 717 N GLY A 46 91.675 -3.556 -2.637 1.00 1.00 N ATOM 718 CA GLY A 46 91.424 -4.973 -2.253 1.00 1.00 C ATOM 719 C GLY A 46 91.613 -5.874 -3.474 1.00 1.00 C ATOM 720 O GLY A 46 90.718 -6.027 -4.281 1.00 1.00 O ATOM 0 H GLY A 46 90.839 -2.991 -2.785 1.00 1.00 H new ATOM 0 HA2 GLY A 46 92.107 -5.272 -1.458 1.00 1.00 H new ATOM 0 HA3 GLY A 46 90.413 -5.081 -1.861 1.00 1.00 H new ATOM 724 N VAL A 47 92.773 -6.471 -3.606 1.00 1.00 N ATOM 725 CA VAL A 47 93.055 -7.374 -4.762 1.00 1.00 C ATOM 726 C VAL A 47 92.160 -7.024 -5.958 1.00 1.00 C ATOM 727 O VAL A 47 91.598 -7.885 -6.602 1.00 1.00 O ATOM 728 CB VAL A 47 92.832 -8.828 -4.325 1.00 1.00 C ATOM 729 CG1 VAL A 47 91.338 -9.153 -4.373 1.00 1.00 C ATOM 730 CG2 VAL A 47 93.587 -9.765 -5.271 1.00 1.00 C ATOM 0 H VAL A 47 93.547 -6.368 -2.950 1.00 1.00 H new ATOM 0 HA VAL A 47 94.090 -7.244 -5.077 1.00 1.00 H new ATOM 0 HB VAL A 47 93.200 -8.962 -3.308 1.00 1.00 H new ATOM 0 HG11 VAL A 47 91.180 -10.186 -4.063 1.00 1.00 H new ATOM 0 HG12 VAL A 47 90.799 -8.486 -3.701 1.00 1.00 H new ATOM 0 HG13 VAL A 47 90.969 -9.019 -5.390 1.00 1.00 H new ATOM 0 HG21 VAL A 47 93.430 -10.798 -4.962 1.00 1.00 H new ATOM 0 HG22 VAL A 47 93.218 -9.630 -6.288 1.00 1.00 H new ATOM 0 HG23 VAL A 47 94.652 -9.535 -5.238 1.00 1.00 H new ATOM 740 N GLN A 48 92.031 -5.761 -6.262 1.00 1.00 N ATOM 741 CA GLN A 48 91.179 -5.354 -7.414 1.00 1.00 C ATOM 742 C GLN A 48 89.754 -5.872 -7.203 1.00 1.00 C ATOM 743 O GLN A 48 89.480 -6.601 -6.271 1.00 1.00 O ATOM 744 CB GLN A 48 91.751 -5.942 -8.707 1.00 1.00 C ATOM 745 CG GLN A 48 93.273 -5.787 -8.709 1.00 1.00 C ATOM 746 CD GLN A 48 93.819 -6.123 -10.098 1.00 1.00 C ATOM 747 OE1 GLN A 48 94.769 -5.517 -10.553 1.00 1.00 O ATOM 748 NE2 GLN A 48 93.255 -7.071 -10.795 1.00 1.00 N ATOM 0 H GLN A 48 92.479 -4.994 -5.762 1.00 1.00 H new ATOM 0 HA GLN A 48 91.163 -4.267 -7.487 1.00 1.00 H new ATOM 0 HB2 GLN A 48 91.482 -6.995 -8.790 1.00 1.00 H new ATOM 0 HB3 GLN A 48 91.322 -5.434 -9.571 1.00 1.00 H new ATOM 0 HG2 GLN A 48 93.546 -4.767 -8.436 1.00 1.00 H new ATOM 0 HG3 GLN A 48 93.717 -6.446 -7.963 1.00 1.00 H new ATOM 0 HE21 GLN A 48 92.458 -7.580 -10.413 1.00 1.00 H new ATOM 0 HE22 GLN A 48 93.612 -7.304 -11.722 1.00 1.00 H new ATOM 757 N GLY A 49 88.844 -5.499 -8.062 1.00 1.00 N ATOM 758 CA GLY A 49 87.436 -5.970 -7.911 1.00 1.00 C ATOM 759 C GLY A 49 86.660 -4.988 -7.032 1.00 1.00 C ATOM 760 O GLY A 49 85.528 -4.648 -7.313 1.00 1.00 O ATOM 0 H GLY A 49 89.014 -4.889 -8.862 1.00 1.00 H new ATOM 0 HA2 GLY A 49 86.962 -6.052 -8.889 1.00 1.00 H new ATOM 0 HA3 GLY A 49 87.420 -6.964 -7.465 1.00 1.00 H new ATOM 764 N CYS A 50 87.259 -4.530 -5.967 1.00 1.00 N ATOM 765 CA CYS A 50 86.554 -3.571 -5.070 1.00 1.00 C ATOM 766 C CYS A 50 87.525 -3.071 -3.997 1.00 1.00 C ATOM 767 O CYS A 50 88.079 -3.842 -3.239 1.00 1.00 O ATOM 768 CB CYS A 50 85.367 -4.276 -4.403 1.00 1.00 C ATOM 769 SG CYS A 50 83.820 -3.605 -5.061 1.00 1.00 S ATOM 0 H CYS A 50 88.206 -4.778 -5.679 1.00 1.00 H new ATOM 0 HA CYS A 50 86.191 -2.724 -5.652 1.00 1.00 H new ATOM 0 HB2 CYS A 50 85.418 -5.349 -4.587 1.00 1.00 H new ATOM 0 HB3 CYS A 50 85.407 -4.135 -3.323 1.00 1.00 H new ATOM 774 N GLY A 51 87.735 -1.784 -3.927 1.00 1.00 N ATOM 775 CA GLY A 51 88.669 -1.232 -2.904 1.00 1.00 C ATOM 776 C GLY A 51 87.893 -0.914 -1.625 1.00 1.00 C ATOM 777 O GLY A 51 87.074 -1.690 -1.174 1.00 1.00 O ATOM 0 H GLY A 51 87.299 -1.090 -4.535 1.00 1.00 H new ATOM 0 HA2 GLY A 51 89.460 -1.951 -2.693 1.00 1.00 H new ATOM 0 HA3 GLY A 51 89.150 -0.331 -3.284 1.00 1.00 H new ATOM 781 N ASP A 52 88.144 0.224 -1.036 1.00 1.00 N ATOM 782 CA ASP A 52 87.420 0.590 0.214 1.00 1.00 C ATOM 783 C ASP A 52 87.498 -0.571 1.208 1.00 1.00 C ATOM 784 O ASP A 52 86.512 -1.217 1.500 1.00 1.00 O ATOM 785 CB ASP A 52 85.954 0.883 -0.113 1.00 1.00 C ATOM 786 CG ASP A 52 85.239 1.379 1.145 1.00 1.00 C ATOM 787 OD1 ASP A 52 85.068 0.587 2.057 1.00 1.00 O ATOM 788 OD2 ASP A 52 84.874 2.543 1.176 1.00 1.00 O ATOM 0 H ASP A 52 88.818 0.915 -1.366 1.00 1.00 H new ATOM 0 HA ASP A 52 87.879 1.476 0.653 1.00 1.00 H new ATOM 0 HB2 ASP A 52 85.889 1.634 -0.901 1.00 1.00 H new ATOM 0 HB3 ASP A 52 85.468 -0.017 -0.490 1.00 1.00 H new ATOM 793 N ASP A 53 88.664 -0.840 1.728 1.00 1.00 N ATOM 794 CA ASP A 53 88.805 -1.959 2.702 1.00 1.00 C ATOM 795 C ASP A 53 88.272 -3.249 2.076 1.00 1.00 C ATOM 796 O ASP A 53 87.657 -3.234 1.028 1.00 1.00 O ATOM 797 CB ASP A 53 88.005 -1.639 3.967 1.00 1.00 C ATOM 798 CG ASP A 53 88.393 -2.617 5.077 1.00 1.00 C ATOM 799 OD1 ASP A 53 89.553 -2.624 5.455 1.00 1.00 O ATOM 800 OD2 ASP A 53 87.523 -3.343 5.531 1.00 1.00 O ATOM 0 H ASP A 53 89.525 -0.334 1.521 1.00 1.00 H new ATOM 0 HA ASP A 53 89.857 -2.086 2.959 1.00 1.00 H new ATOM 0 HB2 ASP A 53 88.201 -0.615 4.285 1.00 1.00 H new ATOM 0 HB3 ASP A 53 86.937 -1.710 3.762 1.00 1.00 H new ATOM 805 N ILE A 54 88.502 -4.367 2.709 1.00 1.00 N ATOM 806 CA ILE A 54 88.007 -5.655 2.149 1.00 1.00 C ATOM 807 C ILE A 54 86.509 -5.797 2.461 1.00 1.00 C ATOM 808 O ILE A 54 86.111 -5.757 3.608 1.00 1.00 O ATOM 809 CB ILE A 54 88.778 -6.814 2.792 1.00 1.00 C ATOM 810 CG1 ILE A 54 90.208 -6.838 2.248 1.00 1.00 C ATOM 811 CG2 ILE A 54 88.085 -8.136 2.458 1.00 1.00 C ATOM 812 CD1 ILE A 54 90.923 -5.542 2.635 1.00 1.00 C ATOM 0 H ILE A 54 89.011 -4.443 3.589 1.00 1.00 H new ATOM 0 HA ILE A 54 88.158 -5.673 1.070 1.00 1.00 H new ATOM 0 HB ILE A 54 88.801 -6.679 3.873 1.00 1.00 H new ATOM 0 HG12 ILE A 54 90.747 -7.697 2.649 1.00 1.00 H new ATOM 0 HG13 ILE A 54 90.194 -6.948 1.164 1.00 1.00 H new ATOM 0 HG21 ILE A 54 88.633 -8.960 2.915 1.00 1.00 H new ATOM 0 HG22 ILE A 54 87.066 -8.120 2.844 1.00 1.00 H new ATOM 0 HG23 ILE A 54 88.062 -8.272 1.377 1.00 1.00 H new ATOM 0 HD11 ILE A 54 91.942 -5.559 2.248 1.00 1.00 H new ATOM 0 HD12 ILE A 54 90.388 -4.691 2.213 1.00 1.00 H new ATOM 0 HD13 ILE A 54 90.949 -5.451 3.721 1.00 1.00 H new ATOM 824 N PRO A 55 85.678 -5.960 1.456 1.00 1.00 N ATOM 825 CA PRO A 55 84.207 -6.105 1.656 1.00 1.00 C ATOM 826 C PRO A 55 83.826 -7.502 2.162 1.00 1.00 C ATOM 827 O PRO A 55 82.844 -8.080 1.741 1.00 1.00 O ATOM 828 CB PRO A 55 83.630 -5.855 0.260 1.00 1.00 C ATOM 829 CG PRO A 55 84.710 -6.274 -0.683 1.00 1.00 C ATOM 830 CD PRO A 55 86.043 -6.024 0.031 1.00 1.00 C ATOM 0 HA PRO A 55 83.826 -5.418 2.412 1.00 1.00 H new ATOM 0 HB2 PRO A 55 82.720 -6.432 0.100 1.00 1.00 H new ATOM 0 HB3 PRO A 55 83.370 -4.805 0.122 1.00 1.00 H new ATOM 0 HG2 PRO A 55 84.605 -7.326 -0.948 1.00 1.00 H new ATOM 0 HG3 PRO A 55 84.656 -5.704 -1.611 1.00 1.00 H new ATOM 0 HD2 PRO A 55 86.756 -6.825 -0.163 1.00 1.00 H new ATOM 0 HD3 PRO A 55 86.507 -5.097 -0.304 1.00 1.00 H new ATOM 838 N GLY A 56 84.597 -8.046 3.063 1.00 1.00 N ATOM 839 CA GLY A 56 84.279 -9.402 3.596 1.00 1.00 C ATOM 840 C GLY A 56 84.797 -10.467 2.628 1.00 1.00 C ATOM 841 O GLY A 56 84.977 -11.613 2.988 1.00 1.00 O ATOM 0 H GLY A 56 85.433 -7.611 3.453 1.00 1.00 H new ATOM 0 HA2 GLY A 56 84.735 -9.535 4.577 1.00 1.00 H new ATOM 0 HA3 GLY A 56 83.202 -9.509 3.728 1.00 1.00 H new ATOM 845 N MET A 57 85.039 -10.098 1.399 1.00 1.00 N ATOM 846 CA MET A 57 85.544 -11.090 0.408 1.00 1.00 C ATOM 847 C MET A 57 84.685 -12.354 0.468 1.00 1.00 C ATOM 848 O MET A 57 85.149 -13.414 0.839 1.00 1.00 O ATOM 849 CB MET A 57 86.996 -11.444 0.735 1.00 1.00 C ATOM 850 CG MET A 57 87.599 -12.243 -0.422 1.00 1.00 C ATOM 851 SD MET A 57 89.270 -12.780 0.022 1.00 1.00 S ATOM 852 CE MET A 57 89.691 -13.544 -1.564 1.00 1.00 C ATOM 0 H MET A 57 84.909 -9.153 1.039 1.00 1.00 H new ATOM 0 HA MET A 57 85.491 -10.662 -0.593 1.00 1.00 H new ATOM 0 HB2 MET A 57 87.574 -10.535 0.904 1.00 1.00 H new ATOM 0 HB3 MET A 57 87.041 -12.026 1.655 1.00 1.00 H new ATOM 0 HG2 MET A 57 86.975 -13.108 -0.645 1.00 1.00 H new ATOM 0 HG3 MET A 57 87.630 -11.631 -1.324 1.00 1.00 H new ATOM 0 HE1 MET A 57 90.701 -13.950 -1.515 1.00 1.00 H new ATOM 0 HE2 MET A 57 88.987 -14.348 -1.779 1.00 1.00 H new ATOM 0 HE3 MET A 57 89.639 -12.795 -2.354 1.00 1.00 H new ATOM 862 N GLU A 58 83.436 -12.252 0.104 1.00 1.00 N ATOM 863 CA GLU A 58 82.549 -13.449 0.140 1.00 1.00 C ATOM 864 C GLU A 58 81.250 -13.144 -0.609 1.00 1.00 C ATOM 865 O GLU A 58 80.937 -13.765 -1.606 1.00 1.00 O ATOM 866 CB GLU A 58 82.231 -13.804 1.594 1.00 1.00 C ATOM 867 CG GLU A 58 81.664 -15.223 1.661 1.00 1.00 C ATOM 868 CD GLU A 58 81.407 -15.603 3.121 1.00 1.00 C ATOM 869 OE1 GLU A 58 81.800 -14.840 3.988 1.00 1.00 O ATOM 870 OE2 GLU A 58 80.822 -16.649 3.346 1.00 1.00 O ATOM 0 H GLU A 58 82.992 -11.392 -0.217 1.00 1.00 H new ATOM 0 HA GLU A 58 83.053 -14.290 -0.337 1.00 1.00 H new ATOM 0 HB2 GLU A 58 83.133 -13.732 2.202 1.00 1.00 H new ATOM 0 HB3 GLU A 58 81.512 -13.094 2.004 1.00 1.00 H new ATOM 0 HG2 GLU A 58 80.737 -15.283 1.090 1.00 1.00 H new ATOM 0 HG3 GLU A 58 82.363 -15.927 1.209 1.00 1.00 H new ATOM 877 N GLY A 59 80.490 -12.192 -0.138 1.00 1.00 N ATOM 878 CA GLY A 59 79.211 -11.848 -0.823 1.00 1.00 C ATOM 879 C GLY A 59 78.239 -11.235 0.187 1.00 1.00 C ATOM 880 O GLY A 59 77.163 -11.749 0.418 1.00 1.00 O ATOM 0 H GLY A 59 80.700 -11.638 0.692 1.00 1.00 H new ATOM 0 HA2 GLY A 59 79.399 -11.146 -1.635 1.00 1.00 H new ATOM 0 HA3 GLY A 59 78.773 -12.741 -1.269 1.00 1.00 H new ATOM 884 N CYS A 60 78.610 -10.140 0.794 1.00 1.00 N ATOM 885 CA CYS A 60 77.709 -9.495 1.791 1.00 1.00 C ATOM 886 C CYS A 60 76.822 -8.465 1.088 1.00 1.00 C ATOM 887 O CYS A 60 75.686 -8.252 1.462 1.00 1.00 O ATOM 888 CB CYS A 60 78.550 -8.796 2.861 1.00 1.00 C ATOM 889 SG CYS A 60 79.762 -7.714 2.064 1.00 1.00 S ATOM 0 H CYS A 60 79.499 -9.664 0.642 1.00 1.00 H new ATOM 0 HA CYS A 60 77.083 -10.255 2.258 1.00 1.00 H new ATOM 0 HB2 CYS A 60 77.907 -8.215 3.522 1.00 1.00 H new ATOM 0 HB3 CYS A 60 79.058 -9.535 3.480 1.00 1.00 H new ATOM 894 N GLY A 61 77.332 -7.824 0.072 1.00 1.00 N ATOM 895 CA GLY A 61 76.518 -6.807 -0.653 1.00 1.00 C ATOM 896 C GLY A 61 77.055 -6.641 -2.075 1.00 1.00 C ATOM 897 O GLY A 61 77.122 -5.547 -2.600 1.00 1.00 O ATOM 0 HA2 GLY A 61 75.473 -7.116 -0.682 1.00 1.00 H new ATOM 0 HA3 GLY A 61 76.555 -5.854 -0.126 1.00 1.00 H new ATOM 901 N THR A 62 77.436 -7.719 -2.705 1.00 1.00 N ATOM 902 CA THR A 62 77.965 -7.624 -4.095 1.00 1.00 C ATOM 903 C THR A 62 77.596 -8.894 -4.864 1.00 1.00 C ATOM 904 O THR A 62 78.424 -9.502 -5.513 1.00 1.00 O ATOM 905 CB THR A 62 79.491 -7.472 -4.052 1.00 1.00 C ATOM 906 OG1 THR A 62 80.016 -8.278 -3.007 1.00 1.00 O ATOM 907 CG2 THR A 62 79.853 -6.007 -3.801 1.00 1.00 C ATOM 0 H THR A 62 77.404 -8.662 -2.317 1.00 1.00 H new ATOM 0 HA THR A 62 77.531 -6.758 -4.594 1.00 1.00 H new ATOM 0 HB THR A 62 79.915 -7.790 -5.004 1.00 1.00 H new ATOM 0 HG1 THR A 62 80.803 -8.763 -3.332 1.00 1.00 H new ATOM 0 HG21 THR A 62 80.937 -5.900 -3.771 1.00 1.00 H new ATOM 0 HG22 THR A 62 79.450 -5.390 -4.604 1.00 1.00 H new ATOM 0 HG23 THR A 62 79.430 -5.686 -2.849 1.00 1.00 H new ATOM 915 N ASP A 63 76.357 -9.299 -4.799 1.00 1.00 N ATOM 916 CA ASP A 63 75.941 -10.527 -5.530 1.00 1.00 C ATOM 917 C ASP A 63 76.317 -10.381 -7.005 1.00 1.00 C ATOM 918 O ASP A 63 76.666 -11.341 -7.664 1.00 1.00 O ATOM 919 CB ASP A 63 74.427 -10.718 -5.400 1.00 1.00 C ATOM 920 CG ASP A 63 74.073 -12.183 -5.664 1.00 1.00 C ATOM 921 OD1 ASP A 63 74.576 -12.728 -6.633 1.00 1.00 O ATOM 922 OD2 ASP A 63 73.305 -12.734 -4.894 1.00 1.00 O ATOM 0 H ASP A 63 75.618 -8.834 -4.273 1.00 1.00 H new ATOM 0 HA ASP A 63 76.446 -11.395 -5.106 1.00 1.00 H new ATOM 0 HB2 ASP A 63 74.097 -10.427 -4.403 1.00 1.00 H new ATOM 0 HB3 ASP A 63 73.906 -10.074 -6.108 1.00 1.00 H new ATOM 927 N ILE A 64 76.256 -9.183 -7.528 1.00 1.00 N ATOM 928 CA ILE A 64 76.617 -8.972 -8.960 1.00 1.00 C ATOM 929 C ILE A 64 78.003 -8.330 -9.045 1.00 1.00 C ATOM 930 O ILE A 64 78.999 -9.001 -9.218 1.00 1.00 O ATOM 931 CB ILE A 64 75.579 -8.063 -9.631 1.00 1.00 C ATOM 932 CG1 ILE A 64 74.305 -8.864 -9.908 1.00 1.00 C ATOM 933 CG2 ILE A 64 76.142 -7.531 -10.950 1.00 1.00 C ATOM 934 CD1 ILE A 64 74.608 -9.972 -10.919 1.00 1.00 C ATOM 0 H ILE A 64 75.972 -8.343 -7.024 1.00 1.00 H new ATOM 0 HA ILE A 64 76.631 -9.932 -9.475 1.00 1.00 H new ATOM 0 HB ILE A 64 75.348 -7.227 -8.971 1.00 1.00 H new ATOM 0 HG12 ILE A 64 73.926 -9.296 -8.982 1.00 1.00 H new ATOM 0 HG13 ILE A 64 73.527 -8.207 -10.295 1.00 1.00 H new ATOM 0 HG21 ILE A 64 75.404 -6.885 -11.426 1.00 1.00 H new ATOM 0 HG22 ILE A 64 77.050 -6.961 -10.754 1.00 1.00 H new ATOM 0 HG23 ILE A 64 76.373 -8.367 -11.610 1.00 1.00 H new ATOM 0 HD11 ILE A 64 73.700 -10.543 -11.116 1.00 1.00 H new ATOM 0 HD12 ILE A 64 74.967 -9.529 -11.848 1.00 1.00 H new ATOM 0 HD13 ILE A 64 75.373 -10.635 -10.514 1.00 1.00 H new ATOM 946 N THR A 65 78.059 -7.035 -8.930 1.00 1.00 N ATOM 947 CA THR A 65 79.357 -6.304 -9.006 1.00 1.00 C ATOM 948 C THR A 65 79.036 -4.849 -9.332 1.00 1.00 C ATOM 949 O THR A 65 79.470 -3.933 -8.661 1.00 1.00 O ATOM 950 CB THR A 65 80.245 -6.897 -10.118 1.00 1.00 C ATOM 951 OG1 THR A 65 79.438 -7.643 -11.018 1.00 1.00 O ATOM 952 CG2 THR A 65 81.301 -7.813 -9.496 1.00 1.00 C ATOM 0 H THR A 65 77.245 -6.438 -8.784 1.00 1.00 H new ATOM 0 HA THR A 65 79.896 -6.389 -8.062 1.00 1.00 H new ATOM 0 HB THR A 65 80.741 -6.090 -10.658 1.00 1.00 H new ATOM 0 HG1 THR A 65 79.505 -8.597 -10.804 1.00 1.00 H new ATOM 0 HG21 THR A 65 81.928 -8.232 -10.283 1.00 1.00 H new ATOM 0 HG22 THR A 65 81.919 -7.239 -8.806 1.00 1.00 H new ATOM 0 HG23 THR A 65 80.809 -8.621 -8.956 1.00 1.00 H new ATOM 960 N VAL A 66 78.252 -4.641 -10.353 1.00 1.00 N ATOM 961 CA VAL A 66 77.857 -3.261 -10.735 1.00 1.00 C ATOM 962 C VAL A 66 76.443 -3.004 -10.213 1.00 1.00 C ATOM 963 O VAL A 66 76.182 -2.006 -9.571 1.00 1.00 O ATOM 964 CB VAL A 66 77.880 -3.126 -12.258 1.00 1.00 C ATOM 965 CG1 VAL A 66 77.745 -1.651 -12.643 1.00 1.00 C ATOM 966 CG2 VAL A 66 79.203 -3.673 -12.797 1.00 1.00 C ATOM 0 H VAL A 66 77.865 -5.377 -10.944 1.00 1.00 H new ATOM 0 HA VAL A 66 78.550 -2.537 -10.307 1.00 1.00 H new ATOM 0 HB VAL A 66 77.051 -3.690 -12.685 1.00 1.00 H new ATOM 0 HG11 VAL A 66 77.761 -1.555 -13.729 1.00 1.00 H new ATOM 0 HG12 VAL A 66 76.803 -1.259 -12.258 1.00 1.00 H new ATOM 0 HG13 VAL A 66 78.574 -1.086 -12.216 1.00 1.00 H new ATOM 0 HG21 VAL A 66 79.221 -3.577 -13.883 1.00 1.00 H new ATOM 0 HG22 VAL A 66 80.031 -3.108 -12.369 1.00 1.00 H new ATOM 0 HG23 VAL A 66 79.301 -4.724 -12.524 1.00 1.00 H new ATOM 976 N ILE A 67 75.526 -3.905 -10.478 1.00 1.00 N ATOM 977 CA ILE A 67 74.129 -3.713 -9.985 1.00 1.00 C ATOM 978 C ILE A 67 73.578 -5.021 -9.395 1.00 1.00 C ATOM 979 O ILE A 67 72.949 -5.804 -10.079 1.00 1.00 O ATOM 980 CB ILE A 67 73.240 -3.279 -11.155 1.00 1.00 C ATOM 981 CG1 ILE A 67 73.791 -1.986 -11.760 1.00 1.00 C ATOM 982 CG2 ILE A 67 71.815 -3.039 -10.653 1.00 1.00 C ATOM 983 CD1 ILE A 67 72.989 -1.625 -13.012 1.00 1.00 C ATOM 0 H ILE A 67 75.685 -4.760 -11.012 1.00 1.00 H new ATOM 0 HA ILE A 67 74.133 -2.950 -9.207 1.00 1.00 H new ATOM 0 HB ILE A 67 73.230 -4.062 -11.914 1.00 1.00 H new ATOM 0 HG12 ILE A 67 73.732 -1.177 -11.032 1.00 1.00 H new ATOM 0 HG13 ILE A 67 74.844 -2.110 -12.013 1.00 1.00 H new ATOM 0 HG21 ILE A 67 71.183 -2.730 -11.486 1.00 1.00 H new ATOM 0 HG22 ILE A 67 71.422 -3.959 -10.221 1.00 1.00 H new ATOM 0 HG23 ILE A 67 71.823 -2.256 -9.894 1.00 1.00 H new ATOM 0 HD11 ILE A 67 73.382 -0.704 -13.443 1.00 1.00 H new ATOM 0 HD12 ILE A 67 73.071 -2.431 -13.742 1.00 1.00 H new ATOM 0 HD13 ILE A 67 71.942 -1.483 -12.745 1.00 1.00 H new ATOM 995 N CYS A 68 73.792 -5.253 -8.126 1.00 1.00 N ATOM 996 CA CYS A 68 73.266 -6.491 -7.484 1.00 1.00 C ATOM 997 C CYS A 68 71.786 -6.297 -7.132 1.00 1.00 C ATOM 998 O CYS A 68 71.382 -5.241 -6.688 1.00 1.00 O ATOM 999 CB CYS A 68 74.057 -6.777 -6.202 1.00 1.00 C ATOM 1000 SG CYS A 68 75.619 -5.863 -6.241 1.00 1.00 S ATOM 0 H CYS A 68 74.312 -4.633 -7.504 1.00 1.00 H new ATOM 0 HA CYS A 68 73.371 -7.328 -8.174 1.00 1.00 H new ATOM 0 HB2 CYS A 68 73.474 -6.484 -5.329 1.00 1.00 H new ATOM 0 HB3 CYS A 68 74.251 -7.846 -6.112 1.00 1.00 H new ATOM 1005 N PRO A 69 70.979 -7.316 -7.310 1.00 1.00 N ATOM 1006 CA PRO A 69 69.527 -7.254 -6.986 1.00 1.00 C ATOM 1007 C PRO A 69 69.266 -6.512 -5.671 1.00 1.00 C ATOM 1008 O PRO A 69 68.348 -5.723 -5.561 1.00 1.00 O ATOM 1009 CB PRO A 69 69.131 -8.725 -6.859 1.00 1.00 C ATOM 1010 CG PRO A 69 70.067 -9.458 -7.764 1.00 1.00 C ATOM 1011 CD PRO A 69 71.360 -8.637 -7.835 1.00 1.00 C ATOM 0 HA PRO A 69 68.958 -6.712 -7.741 1.00 1.00 H new ATOM 0 HB2 PRO A 69 69.225 -9.071 -5.830 1.00 1.00 H new ATOM 0 HB3 PRO A 69 68.093 -8.881 -7.154 1.00 1.00 H new ATOM 0 HG2 PRO A 69 70.267 -10.459 -7.382 1.00 1.00 H new ATOM 0 HG3 PRO A 69 69.631 -9.576 -8.756 1.00 1.00 H new ATOM 0 HD2 PRO A 69 72.152 -9.089 -7.238 1.00 1.00 H new ATOM 0 HD3 PRO A 69 71.732 -8.567 -8.857 1.00 1.00 H new ATOM 1019 N TRP A 70 70.072 -6.759 -4.675 1.00 1.00 N ATOM 1020 CA TRP A 70 69.881 -6.071 -3.367 1.00 1.00 C ATOM 1021 C TRP A 70 70.311 -4.608 -3.508 1.00 1.00 C ATOM 1022 O TRP A 70 70.844 -4.014 -2.592 1.00 1.00 O ATOM 1023 CB TRP A 70 70.740 -6.771 -2.300 1.00 1.00 C ATOM 1024 CG TRP A 70 69.879 -7.155 -1.140 1.00 1.00 C ATOM 1025 CD1 TRP A 70 69.501 -6.321 -0.144 1.00 1.00 C ATOM 1026 CD2 TRP A 70 69.283 -8.450 -0.837 1.00 1.00 C ATOM 1027 NE1 TRP A 70 68.712 -7.020 0.751 1.00 1.00 N ATOM 1028 CE2 TRP A 70 68.548 -8.337 0.368 1.00 1.00 C ATOM 1029 CE3 TRP A 70 69.308 -9.698 -1.483 1.00 1.00 C ATOM 1030 CZ2 TRP A 70 67.862 -9.426 0.912 1.00 1.00 C ATOM 1031 CZ3 TRP A 70 68.621 -10.794 -0.940 1.00 1.00 C ATOM 1032 CH2 TRP A 70 67.900 -10.660 0.254 1.00 1.00 C ATOM 0 H TRP A 70 70.857 -7.410 -4.711 1.00 1.00 H new ATOM 0 HA TRP A 70 68.834 -6.113 -3.068 1.00 1.00 H new ATOM 0 HB2 TRP A 70 71.214 -7.656 -2.723 1.00 1.00 H new ATOM 0 HB3 TRP A 70 71.540 -6.108 -1.969 1.00 1.00 H new ATOM 0 HD1 TRP A 70 69.772 -5.279 -0.061 1.00 1.00 H new ATOM 0 HE1 TRP A 70 68.301 -6.613 1.591 1.00 1.00 H new ATOM 0 HE3 TRP A 70 69.860 -9.814 -2.404 1.00 1.00 H new ATOM 0 HZ2 TRP A 70 67.307 -9.316 1.832 1.00 1.00 H new ATOM 0 HZ3 TRP A 70 68.648 -11.748 -1.446 1.00 1.00 H new ATOM 0 HH2 TRP A 70 67.374 -11.509 0.666 1.00 1.00 H new ATOM 1043 N GLU A 71 70.088 -4.026 -4.656 1.00 1.00 N ATOM 1044 CA GLU A 71 70.489 -2.607 -4.867 1.00 1.00 C ATOM 1045 C GLU A 71 69.381 -1.869 -5.627 1.00 1.00 C ATOM 1046 O GLU A 71 69.389 -0.659 -5.736 1.00 1.00 O ATOM 1047 CB GLU A 71 71.802 -2.577 -5.667 1.00 1.00 C ATOM 1048 CG GLU A 71 71.495 -2.541 -7.165 1.00 1.00 C ATOM 1049 CD GLU A 71 71.237 -1.097 -7.600 1.00 1.00 C ATOM 1050 OE1 GLU A 71 72.045 -0.246 -7.267 1.00 1.00 O ATOM 1051 OE2 GLU A 71 70.236 -0.868 -8.259 1.00 1.00 O ATOM 0 H GLU A 71 69.644 -4.474 -5.458 1.00 1.00 H new ATOM 0 HA GLU A 71 70.641 -2.112 -3.908 1.00 1.00 H new ATOM 0 HB2 GLU A 71 72.390 -1.703 -5.386 1.00 1.00 H new ATOM 0 HB3 GLU A 71 72.403 -3.455 -5.431 1.00 1.00 H new ATOM 0 HG2 GLU A 71 72.330 -2.958 -7.728 1.00 1.00 H new ATOM 0 HG3 GLU A 71 70.624 -3.159 -7.383 1.00 1.00 H new ATOM 1058 N ALA A 72 68.429 -2.591 -6.154 1.00 1.00 N ATOM 1059 CA ALA A 72 67.324 -1.933 -6.908 1.00 1.00 C ATOM 1060 C ALA A 72 66.383 -1.229 -5.928 1.00 1.00 C ATOM 1061 O ALA A 72 65.216 -1.553 -5.833 1.00 1.00 O ATOM 1062 CB ALA A 72 66.545 -2.990 -7.694 1.00 1.00 C ATOM 0 H ALA A 72 68.369 -3.608 -6.095 1.00 1.00 H new ATOM 0 HA ALA A 72 67.742 -1.200 -7.598 1.00 1.00 H new ATOM 0 HB1 ALA A 72 65.737 -2.511 -8.246 1.00 1.00 H new ATOM 0 HB2 ALA A 72 67.215 -3.490 -8.393 1.00 1.00 H new ATOM 0 HB3 ALA A 72 66.128 -3.723 -7.003 1.00 1.00 H new ATOM 1068 N CYS A 73 66.880 -0.267 -5.200 1.00 1.00 N ATOM 1069 CA CYS A 73 66.012 0.459 -4.230 1.00 1.00 C ATOM 1070 C CYS A 73 65.182 1.507 -4.974 1.00 1.00 C ATOM 1071 O CYS A 73 64.330 2.158 -4.402 1.00 1.00 O ATOM 1072 CB CYS A 73 66.886 1.149 -3.180 1.00 1.00 C ATOM 1073 SG CYS A 73 67.479 -0.077 -1.988 1.00 1.00 S ATOM 0 H CYS A 73 67.850 0.048 -5.235 1.00 1.00 H new ATOM 0 HA CYS A 73 65.345 -0.249 -3.738 1.00 1.00 H new ATOM 0 HB2 CYS A 73 67.731 1.642 -3.661 1.00 1.00 H new ATOM 0 HB3 CYS A 73 66.315 1.923 -2.668 1.00 1.00 H new ATOM 1078 N ASN A 74 65.423 1.672 -6.246 1.00 1.00 N ATOM 1079 CA ASN A 74 64.648 2.674 -7.031 1.00 1.00 C ATOM 1080 C ASN A 74 64.729 4.040 -6.345 1.00 1.00 C ATOM 1081 O ASN A 74 65.782 4.640 -6.256 1.00 1.00 O ATOM 1082 CB ASN A 74 63.186 2.233 -7.121 1.00 1.00 C ATOM 1083 CG ASN A 74 63.115 0.816 -7.693 1.00 1.00 C ATOM 1084 OD1 ASN A 74 64.220 0.165 -7.931 1.00 1.00 O flip ATOM 1085 ND2 ASN A 74 62.042 0.295 -7.925 1.00 1.00 N flip ATOM 0 H ASN A 74 66.124 1.155 -6.776 1.00 1.00 H new ATOM 0 HA ASN A 74 65.067 2.749 -8.034 1.00 1.00 H new ATOM 0 HB2 ASN A 74 62.725 2.262 -6.134 1.00 1.00 H new ATOM 0 HB3 ASN A 74 62.626 2.921 -7.754 1.00 1.00 H new ATOM 0 HD21 ASN A 74 61.177 0.803 -7.739 1.00 1.00 H new ATOM 0 HD22 ASN A 74 62.006 -0.651 -8.306 1.00 1.00 H new ATOM 1092 N HIS A 75 63.623 4.540 -5.864 1.00 1.00 N ATOM 1093 CA HIS A 75 63.635 5.870 -5.190 1.00 1.00 C ATOM 1094 C HIS A 75 64.723 5.893 -4.114 1.00 1.00 C ATOM 1095 O HIS A 75 65.210 4.865 -3.687 1.00 1.00 O ATOM 1096 CB HIS A 75 62.269 6.129 -4.545 1.00 1.00 C ATOM 1097 CG HIS A 75 62.091 7.606 -4.321 1.00 1.00 C ATOM 1098 ND1 HIS A 75 62.252 8.189 -3.073 1.00 1.00 N ATOM 1099 CD2 HIS A 75 61.767 8.631 -5.176 1.00 1.00 C ATOM 1100 CE1 HIS A 75 62.027 9.508 -3.208 1.00 1.00 C ATOM 1101 NE2 HIS A 75 61.728 9.828 -4.468 1.00 1.00 N ATOM 0 H HIS A 75 62.711 4.085 -5.909 1.00 1.00 H new ATOM 0 HA HIS A 75 63.842 6.646 -5.927 1.00 1.00 H new ATOM 0 HB2 HIS A 75 61.474 5.750 -5.187 1.00 1.00 H new ATOM 0 HB3 HIS A 75 62.195 5.595 -3.597 1.00 1.00 H new ATOM 0 HD2 HIS A 75 61.573 8.524 -6.233 1.00 1.00 H new ATOM 0 HE1 HIS A 75 62.082 10.219 -2.397 1.00 1.00 H new ATOM 0 HE2 HIS A 75 61.515 10.756 -4.835 1.00 1.00 H new ATOM 1110 N CYS A 76 65.106 7.060 -3.672 1.00 1.00 N ATOM 1111 CA CYS A 76 66.161 7.155 -2.624 1.00 1.00 C ATOM 1112 C CYS A 76 66.210 8.585 -2.082 1.00 1.00 C ATOM 1113 O CYS A 76 66.059 9.543 -2.814 1.00 1.00 O ATOM 1114 CB CYS A 76 67.519 6.791 -3.231 1.00 1.00 C ATOM 1115 SG CYS A 76 67.813 5.016 -3.032 1.00 1.00 S ATOM 0 H CYS A 76 64.733 7.953 -3.992 1.00 1.00 H new ATOM 0 HA CYS A 76 65.931 6.465 -1.812 1.00 1.00 H new ATOM 0 HB2 CYS A 76 67.540 7.058 -4.288 1.00 1.00 H new ATOM 0 HB3 CYS A 76 68.311 7.359 -2.743 1.00 1.00 H new ATOM 1120 N GLU A 77 66.423 8.737 -0.804 1.00 1.00 N ATOM 1121 CA GLU A 77 66.484 10.104 -0.215 1.00 1.00 C ATOM 1122 C GLU A 77 67.499 10.946 -0.991 1.00 1.00 C ATOM 1123 O GLU A 77 68.253 10.438 -1.797 1.00 1.00 O ATOM 1124 CB GLU A 77 66.913 10.009 1.251 1.00 1.00 C ATOM 1125 CG GLU A 77 68.253 9.276 1.346 1.00 1.00 C ATOM 1126 CD GLU A 77 68.646 9.119 2.816 1.00 1.00 C ATOM 1127 OE1 GLU A 77 67.909 8.471 3.541 1.00 1.00 O ATOM 1128 OE2 GLU A 77 69.678 9.650 3.193 1.00 1.00 O ATOM 0 H GLU A 77 66.558 7.973 -0.142 1.00 1.00 H new ATOM 0 HA GLU A 77 65.501 10.572 -0.275 1.00 1.00 H new ATOM 0 HB2 GLU A 77 67.001 11.007 1.680 1.00 1.00 H new ATOM 0 HB3 GLU A 77 66.155 9.480 1.829 1.00 1.00 H new ATOM 0 HG2 GLU A 77 68.179 8.297 0.872 1.00 1.00 H new ATOM 0 HG3 GLU A 77 69.022 9.832 0.810 1.00 1.00 H new ATOM 1135 N LEU A 78 67.524 12.231 -0.754 1.00 1.00 N ATOM 1136 CA LEU A 78 68.488 13.110 -1.479 1.00 1.00 C ATOM 1137 C LEU A 78 68.214 13.030 -2.983 1.00 1.00 C ATOM 1138 O LEU A 78 67.970 11.970 -3.524 1.00 1.00 O ATOM 1139 CB LEU A 78 69.930 12.652 -1.189 1.00 1.00 C ATOM 1140 CG LEU A 78 70.604 13.649 -0.245 1.00 1.00 C ATOM 1141 CD1 LEU A 78 69.960 13.557 1.140 1.00 1.00 C ATOM 1142 CD2 LEU A 78 72.094 13.319 -0.135 1.00 1.00 C ATOM 0 H LEU A 78 66.918 12.710 -0.089 1.00 1.00 H new ATOM 0 HA LEU A 78 68.366 14.139 -1.141 1.00 1.00 H new ATOM 0 HB2 LEU A 78 69.924 11.658 -0.741 1.00 1.00 H new ATOM 0 HB3 LEU A 78 70.493 12.579 -2.119 1.00 1.00 H new ATOM 0 HG LEU A 78 70.482 14.659 -0.637 1.00 1.00 H new ATOM 0 HD11 LEU A 78 70.440 14.268 1.813 1.00 1.00 H new ATOM 0 HD12 LEU A 78 68.898 13.791 1.064 1.00 1.00 H new ATOM 0 HD13 LEU A 78 70.082 12.547 1.532 1.00 1.00 H new ATOM 0 HD21 LEU A 78 72.575 14.029 0.538 1.00 1.00 H new ATOM 0 HD22 LEU A 78 72.215 12.309 0.257 1.00 1.00 H new ATOM 0 HD23 LEU A 78 72.555 13.384 -1.121 1.00 1.00 H new ATOM 1154 N HIS A 79 68.253 14.144 -3.663 1.00 1.00 N ATOM 1155 CA HIS A 79 67.995 14.128 -5.131 1.00 1.00 C ATOM 1156 C HIS A 79 68.726 15.297 -5.793 1.00 1.00 C ATOM 1157 O HIS A 79 68.116 16.248 -6.242 1.00 1.00 O ATOM 1158 CB HIS A 79 66.491 14.254 -5.386 1.00 1.00 C ATOM 1159 CG HIS A 79 65.818 12.947 -5.070 1.00 1.00 C ATOM 1160 ND1 HIS A 79 65.678 11.940 -6.013 1.00 1.00 N ATOM 1161 CD2 HIS A 79 65.240 12.467 -3.919 1.00 1.00 C ATOM 1162 CE1 HIS A 79 65.040 10.914 -5.422 1.00 1.00 C ATOM 1163 NE2 HIS A 79 64.752 11.184 -4.148 1.00 1.00 N ATOM 0 H HIS A 79 68.452 15.062 -3.266 1.00 1.00 H new ATOM 0 HA HIS A 79 68.358 13.190 -5.552 1.00 1.00 H new ATOM 0 HB2 HIS A 79 66.072 15.049 -4.770 1.00 1.00 H new ATOM 0 HB3 HIS A 79 66.309 14.527 -6.425 1.00 1.00 H new ATOM 0 HD1 HIS A 79 66.001 11.972 -6.980 1.00 1.00 H new ATOM 0 HD2 HIS A 79 65.175 13.002 -2.983 1.00 1.00 H new ATOM 0 HE1 HIS A 79 64.792 9.987 -5.917 1.00 1.00 H new ATOM 1172 N GLU A 80 70.030 15.231 -5.859 1.00 1.00 N ATOM 1173 CA GLU A 80 70.811 16.333 -6.494 1.00 1.00 C ATOM 1174 C GLU A 80 71.836 15.732 -7.457 1.00 1.00 C ATOM 1175 O GLU A 80 71.946 16.139 -8.597 1.00 1.00 O ATOM 1176 CB GLU A 80 71.537 17.132 -5.408 1.00 1.00 C ATOM 1177 CG GLU A 80 70.533 17.572 -4.340 1.00 1.00 C ATOM 1178 CD GLU A 80 71.205 18.560 -3.384 1.00 1.00 C ATOM 1179 OE1 GLU A 80 72.077 18.138 -2.644 1.00 1.00 O ATOM 1180 OE2 GLU A 80 70.834 19.722 -3.409 1.00 1.00 O ATOM 0 H GLU A 80 70.590 14.458 -5.499 1.00 1.00 H new ATOM 0 HA GLU A 80 70.138 16.993 -7.041 1.00 1.00 H new ATOM 0 HB2 GLU A 80 72.321 16.524 -4.957 1.00 1.00 H new ATOM 0 HB3 GLU A 80 72.023 18.004 -5.847 1.00 1.00 H new ATOM 0 HG2 GLU A 80 69.666 18.037 -4.810 1.00 1.00 H new ATOM 0 HG3 GLU A 80 70.170 16.705 -3.788 1.00 1.00 H new ATOM 1187 N LEU A 81 72.588 14.764 -7.006 1.00 1.00 N ATOM 1188 CA LEU A 81 73.609 14.130 -7.891 1.00 1.00 C ATOM 1189 C LEU A 81 73.046 12.822 -8.460 1.00 1.00 C ATOM 1190 O LEU A 81 73.468 12.355 -9.498 1.00 1.00 O ATOM 1191 CB LEU A 81 74.892 13.844 -7.087 1.00 1.00 C ATOM 1192 CG LEU A 81 74.578 13.868 -5.590 1.00 1.00 C ATOM 1193 CD1 LEU A 81 73.719 12.655 -5.229 1.00 1.00 C ATOM 1194 CD2 LEU A 81 75.885 13.820 -4.795 1.00 1.00 C ATOM 0 H LEU A 81 72.539 14.384 -6.061 1.00 1.00 H new ATOM 0 HA LEU A 81 73.850 14.807 -8.711 1.00 1.00 H new ATOM 0 HB2 LEU A 81 75.300 12.873 -7.367 1.00 1.00 H new ATOM 0 HB3 LEU A 81 75.653 14.589 -7.321 1.00 1.00 H new ATOM 0 HG LEU A 81 74.036 14.782 -5.347 1.00 1.00 H new ATOM 0 HD11 LEU A 81 73.495 12.672 -4.162 1.00 1.00 H new ATOM 0 HD12 LEU A 81 72.788 12.687 -5.796 1.00 1.00 H new ATOM 0 HD13 LEU A 81 74.260 11.741 -5.472 1.00 1.00 H new ATOM 0 HD21 LEU A 81 75.663 13.837 -3.728 1.00 1.00 H new ATOM 0 HD22 LEU A 81 76.426 12.905 -5.038 1.00 1.00 H new ATOM 0 HD23 LEU A 81 76.499 14.683 -5.052 1.00 1.00 H new ATOM 1206 N ALA A 82 72.094 12.231 -7.790 1.00 1.00 N ATOM 1207 CA ALA A 82 71.504 10.959 -8.299 1.00 1.00 C ATOM 1208 C ALA A 82 70.696 11.241 -9.570 1.00 1.00 C ATOM 1209 O ALA A 82 71.116 10.928 -10.666 1.00 1.00 O ATOM 1210 CB ALA A 82 70.589 10.358 -7.231 1.00 1.00 C ATOM 0 H ALA A 82 71.700 12.573 -6.914 1.00 1.00 H new ATOM 0 HA ALA A 82 72.303 10.254 -8.529 1.00 1.00 H new ATOM 0 HB1 ALA A 82 70.158 9.429 -7.603 1.00 1.00 H new ATOM 0 HB2 ALA A 82 71.167 10.155 -6.329 1.00 1.00 H new ATOM 0 HB3 ALA A 82 69.790 11.062 -6.999 1.00 1.00 H new ATOM 1216 N GLN A 83 69.538 11.830 -9.428 1.00 1.00 N ATOM 1217 CA GLN A 83 68.697 12.133 -10.622 1.00 1.00 C ATOM 1218 C GLN A 83 68.517 10.866 -11.460 1.00 1.00 C ATOM 1219 O GLN A 83 67.998 10.908 -12.557 1.00 1.00 O ATOM 1220 CB GLN A 83 69.378 13.209 -11.472 1.00 1.00 C ATOM 1221 CG GLN A 83 69.394 14.532 -10.704 1.00 1.00 C ATOM 1222 CD GLN A 83 69.782 15.668 -11.653 1.00 1.00 C ATOM 1223 OE1 GLN A 83 69.278 15.699 -12.856 1.00 1.00 O flip ATOM 1224 NE2 GLN A 83 70.553 16.537 -11.295 1.00 1.00 N flip ATOM 0 H GLN A 83 69.138 12.115 -8.534 1.00 1.00 H new ATOM 0 HA GLN A 83 67.723 12.492 -10.291 1.00 1.00 H new ATOM 0 HB2 GLN A 83 70.396 12.905 -11.715 1.00 1.00 H new ATOM 0 HB3 GLN A 83 68.848 13.331 -12.416 1.00 1.00 H new ATOM 0 HG2 GLN A 83 68.413 14.725 -10.271 1.00 1.00 H new ATOM 0 HG3 GLN A 83 70.102 14.476 -9.877 1.00 1.00 H new ATOM 0 HE21 GLN A 83 70.947 16.513 -10.355 1.00 1.00 H new ATOM 0 HE22 GLN A 83 70.806 17.290 -11.935 1.00 1.00 H new ATOM 1233 N TYR A 84 68.946 9.742 -10.950 1.00 1.00 N ATOM 1234 CA TYR A 84 68.808 8.465 -11.711 1.00 1.00 C ATOM 1235 C TYR A 84 69.496 8.597 -13.072 1.00 1.00 C ATOM 1236 O TYR A 84 69.167 9.455 -13.866 1.00 1.00 O ATOM 1237 CB TYR A 84 67.325 8.135 -11.918 1.00 1.00 C ATOM 1238 CG TYR A 84 67.202 6.909 -12.791 1.00 1.00 C ATOM 1239 CD1 TYR A 84 67.383 5.635 -12.238 1.00 1.00 C ATOM 1240 CD2 TYR A 84 66.906 7.046 -14.152 1.00 1.00 C ATOM 1241 CE1 TYR A 84 67.268 4.499 -13.047 1.00 1.00 C ATOM 1242 CE2 TYR A 84 66.792 5.909 -14.961 1.00 1.00 C ATOM 1243 CZ TYR A 84 66.973 4.636 -14.409 1.00 1.00 C ATOM 1244 OH TYR A 84 66.860 3.515 -15.207 1.00 1.00 O ATOM 0 H TYR A 84 69.388 9.653 -10.035 1.00 1.00 H new ATOM 0 HA TYR A 84 69.278 7.662 -11.143 1.00 1.00 H new ATOM 0 HB2 TYR A 84 66.842 7.960 -10.957 1.00 1.00 H new ATOM 0 HB3 TYR A 84 66.815 8.979 -12.383 1.00 1.00 H new ATOM 0 HD1 TYR A 84 67.611 5.529 -11.188 1.00 1.00 H new ATOM 0 HD2 TYR A 84 66.766 8.028 -14.578 1.00 1.00 H new ATOM 0 HE1 TYR A 84 67.407 3.516 -12.621 1.00 1.00 H new ATOM 0 HE2 TYR A 84 66.564 6.015 -16.011 1.00 1.00 H new ATOM 0 HH TYR A 84 66.651 3.787 -16.125 1.00 1.00 H new ATOM 1254 N GLY A 85 70.450 7.746 -13.348 1.00 1.00 N ATOM 1255 CA GLY A 85 71.165 7.812 -14.659 1.00 1.00 C ATOM 1256 C GLY A 85 72.660 8.023 -14.417 1.00 1.00 C ATOM 1257 O GLY A 85 73.484 7.694 -15.246 1.00 1.00 O ATOM 0 H GLY A 85 70.766 7.006 -12.721 1.00 1.00 H new ATOM 0 HA2 GLY A 85 71.003 6.891 -15.220 1.00 1.00 H new ATOM 0 HA3 GLY A 85 70.765 8.627 -15.262 1.00 1.00 H new ATOM 1261 N ILE A 86 73.017 8.568 -13.285 1.00 1.00 N ATOM 1262 CA ILE A 86 74.460 8.798 -12.990 1.00 1.00 C ATOM 1263 C ILE A 86 74.619 9.251 -11.538 1.00 1.00 C ATOM 1264 O ILE A 86 73.692 9.747 -10.928 1.00 1.00 O ATOM 1265 CB ILE A 86 75.007 9.877 -13.926 1.00 1.00 C ATOM 1266 CG1 ILE A 86 76.495 10.092 -13.640 1.00 1.00 C ATOM 1267 CG2 ILE A 86 74.250 11.186 -13.695 1.00 1.00 C ATOM 1268 CD1 ILE A 86 77.116 10.926 -14.762 1.00 1.00 C ATOM 0 H ILE A 86 72.372 8.864 -12.552 1.00 1.00 H new ATOM 0 HA ILE A 86 75.014 7.872 -13.143 1.00 1.00 H new ATOM 0 HB ILE A 86 74.877 9.560 -14.961 1.00 1.00 H new ATOM 0 HG12 ILE A 86 76.623 10.598 -12.683 1.00 1.00 H new ATOM 0 HG13 ILE A 86 77.004 9.131 -13.563 1.00 1.00 H new ATOM 0 HG21 ILE A 86 74.640 11.955 -14.362 1.00 1.00 H new ATOM 0 HG22 ILE A 86 73.190 11.034 -13.897 1.00 1.00 H new ATOM 0 HG23 ILE A 86 74.380 11.504 -12.660 1.00 1.00 H new ATOM 0 HD11 ILE A 86 78.176 11.079 -14.558 1.00 1.00 H new ATOM 0 HD12 ILE A 86 77.001 10.402 -15.711 1.00 1.00 H new ATOM 0 HD13 ILE A 86 76.614 11.892 -14.818 1.00 1.00 H new ATOM 1280 N CYS A 87 75.786 9.083 -10.977 1.00 1.00 N ATOM 1281 CA CYS A 87 76.000 9.502 -9.562 1.00 1.00 C ATOM 1282 C CYS A 87 76.139 11.024 -9.496 1.00 1.00 C ATOM 1283 CB CYS A 87 77.274 8.850 -9.024 1.00 1.00 C ATOM 1284 SG CYS A 87 77.460 9.250 -7.269 1.00 1.00 S ATOM 0 H CYS A 87 76.600 8.674 -11.437 1.00 1.00 H new ATOM 0 HA CYS A 87 75.149 9.188 -8.958 1.00 1.00 H new ATOM 0 HB2 CYS A 87 77.227 7.769 -9.159 1.00 1.00 H new ATOM 0 HB3 CYS A 87 78.140 9.204 -9.583 1.00 1.00 H new TER 1289 CYS A 87 HETATM 1290 C1C RCY A 110 61.697 -13.481 2.618 1.00 1.00 C HETATM 1291 O1G RCY A 110 63.236 -14.572 1.549 1.00 1.00 O HETATM 1292 O1H RCY A 110 60.446 -14.741 -2.257 1.00 1.00 O HETATM 1293 O1J RCY A 110 60.870 -10.933 1.241 1.00 1.00 O HETATM 1294 C1L RCY A 110 63.683 -14.792 -0.847 1.00 1.00 C HETATM 1295 C1M RCY A 110 58.951 -14.090 0.213 1.00 1.00 C HETATM 1296 C1P RCY A 110 62.801 -14.676 0.403 1.00 1.00 C HETATM 1297 C1Q RCY A 110 61.352 -14.959 -1.454 1.00 1.00 C HETATM 1298 N1R RCY A 110 61.315 -14.705 0.048 1.00 1.00 N HETATM 1299 C1S RCY A 110 62.719 -15.533 -1.780 1.00 1.00 C HETATM 1300 C1U RCY A 110 60.098 -14.527 0.957 1.00 1.00 C HETATM 1301 C1V RCY A 110 59.204 -13.469 3.077 1.00 1.00 C HETATM 1302 N1V RCY A 110 60.141 -12.194 1.136 1.00 1.00 N HETATM 1303 C1W RCY A 110 59.053 -12.562 0.129 1.00 1.00 C HETATM 1304 C1X RCY A 110 60.296 -13.434 2.006 1.00 1.00 C HETATM 1305 C1Y RCY A 110 57.723 -11.911 0.516 1.00 1.00 C HETATM 1306 C1Z RCY A 110 59.489 -12.111 -1.265 1.00 1.00 C HETATM 0 H1YB RCY A 110 56.941 -12.250 -0.163 1.00 1.00 H new HETATM 0 H1YA RCY A 110 57.464 -12.192 1.537 1.00 1.00 H new HETATM 0 H1VB RCY A 110 59.292 -14.388 3.657 1.00 1.00 H new HETATM 0 H1VA RCY A 110 59.316 -12.610 3.739 1.00 1.00 H new HETATM 0 H1MA RCY A 110 58.940 -14.535 -0.782 1.00 1.00 H new HETATM 0 H1CB RCY A 110 61.852 -14.447 3.098 1.00 1.00 H new HETATM 0 H1CA RCY A 110 62.441 -13.341 1.834 1.00 1.00 H new HETATM 0 H1Z RCY A 110 59.552 -11.023 -1.292 1.00 1.00 H new HETATM 0 H1Y RCY A 110 57.816 -10.827 0.450 1.00 1.00 H new HETATM 0 H1V RCY A 110 58.225 -13.434 2.599 1.00 1.00 H new HETATM 0 H1U RCY A 110 59.961 -15.505 1.418 1.00 1.00 H new HETATM 0 H1S RCY A 110 62.749 -16.609 -1.607 1.00 1.00 H new HETATM 0 H1M RCY A 110 58.028 -14.392 0.708 1.00 1.00 H new HETATM 0 H1L RCY A 110 64.599 -15.354 -0.661 1.00 1.00 H new HETATM 0 H1C RCY A 110 61.797 -12.688 3.359 1.00 1.00 H new HETATM 1309 C1C RCY A 121 63.701 8.262 6.039 1.00 1.00 C HETATM 1310 O1G RCY A 121 63.970 6.592 7.755 1.00 1.00 O HETATM 1311 O1H RCY A 121 62.503 3.432 4.567 1.00 1.00 O HETATM 1312 O1J RCY A 121 66.437 7.607 7.113 1.00 1.00 O HETATM 1313 C1L RCY A 121 62.680 4.519 7.922 1.00 1.00 C HETATM 1314 C1M RCY A 121 65.288 5.548 4.089 1.00 1.00 C HETATM 1315 C1P RCY A 121 63.433 5.639 7.193 1.00 1.00 C HETATM 1316 C1Q RCY A 121 62.548 4.192 5.534 1.00 1.00 C HETATM 1317 N1R RCY A 121 63.431 5.425 5.680 1.00 1.00 N HETATM 1318 C1S RCY A 121 61.730 4.071 6.806 1.00 1.00 C HETATM 1319 C1U RCY A 121 64.130 6.234 4.586 1.00 1.00 C HETATM 1320 C1V RCY A 121 65.109 8.479 3.943 1.00 1.00 C HETATM 1321 N1V RCY A 121 65.901 7.079 5.862 1.00 1.00 N HETATM 1322 C1W RCY A 121 66.440 5.915 5.033 1.00 1.00 C HETATM 1323 C1X RCY A 121 64.681 7.566 5.093 1.00 1.00 C HETATM 1324 C1Y RCY A 121 67.672 6.351 4.235 1.00 1.00 C HETATM 1325 C1Z RCY A 121 66.786 4.754 5.965 1.00 1.00 C HETATM 0 H1ZB RCY A 121 65.914 4.498 6.566 1.00 1.00 H new HETATM 0 H1ZA RCY A 121 67.085 3.889 5.373 1.00 1.00 H new HETATM 0 H1YB RCY A 121 67.993 5.536 3.587 1.00 1.00 H new HETATM 0 H1YA RCY A 121 67.423 7.221 3.627 1.00 1.00 H new HETATM 0 H1VB RCY A 121 64.232 8.775 3.368 1.00 1.00 H new HETATM 0 H1VA RCY A 121 65.596 9.367 4.346 1.00 1.00 H new HETATM 0 H1MA RCY A 121 65.125 4.470 4.074 1.00 1.00 H new HETATM 0 H1LA RCY A 121 63.341 3.718 8.253 1.00 1.00 H new HETATM 0 H1CB RCY A 121 62.765 8.456 5.515 1.00 1.00 H new HETATM 0 H1CA RCY A 121 63.509 7.621 6.900 1.00 1.00 H new HETATM 0 H1Z RCY A 121 67.606 5.046 6.621 1.00 1.00 H new HETATM 0 H1Y RCY A 121 68.478 6.607 4.922 1.00 1.00 H new HETATM 0 H1V RCY A 121 65.805 7.946 3.295 1.00 1.00 H new HETATM 0 H1U RCY A 121 63.361 6.380 3.828 1.00 1.00 H new HETATM 0 H1S RCY A 121 60.841 4.700 6.766 1.00 1.00 H new HETATM 0 H1M RCY A 121 65.511 5.851 3.066 1.00 1.00 H new HETATM 0 H1L RCY A 121 62.148 4.878 8.803 1.00 1.00 H new HETATM 0 H1C RCY A 121 64.130 9.205 6.377 1.00 1.00 H new HETATM 1328 C1C RCY A 130 79.423 9.222 3.719 1.00 1.00 C HETATM 1329 O1G RCY A 130 80.761 8.887 5.162 1.00 1.00 O HETATM 1330 O1H RCY A 130 77.644 7.247 8.308 1.00 1.00 O HETATM 1331 O1J RCY A 130 79.596 6.314 2.956 1.00 1.00 O HETATM 1332 C1L RCY A 130 80.965 8.109 7.473 1.00 1.00 C HETATM 1333 C1M RCY A 130 76.715 7.260 5.304 1.00 1.00 C HETATM 1334 C1P RCY A 130 80.217 8.469 6.183 1.00 1.00 C HETATM 1335 C1Q RCY A 130 78.585 7.844 7.789 1.00 1.00 C HETATM 1336 N1R RCY A 130 78.712 8.244 6.324 1.00 1.00 N HETATM 1337 C1S RCY A 130 79.842 8.320 8.495 1.00 1.00 C HETATM 1338 C1U RCY A 130 77.609 8.382 5.273 1.00 1.00 C HETATM 1339 C1V RCY A 130 77.082 8.813 2.834 1.00 1.00 C HETATM 1340 N1V RCY A 130 78.471 6.906 3.674 1.00 1.00 N HETATM 1341 C1W RCY A 130 77.355 6.180 4.423 1.00 1.00 C HETATM 1342 C1X RCY A 130 78.149 8.384 3.844 1.00 1.00 C HETATM 1343 C1Y RCY A 130 76.331 5.611 3.438 1.00 1.00 C HETATM 1344 C1Z RCY A 130 77.966 5.063 5.270 1.00 1.00 C HETATM 0 H1ZB RCY A 130 78.734 5.479 5.921 1.00 1.00 H new HETATM 0 H1ZA RCY A 130 77.188 4.599 5.877 1.00 1.00 H new HETATM 0 H1YB RCY A 130 75.501 5.170 3.990 1.00 1.00 H new HETATM 0 H1YA RCY A 130 75.957 6.411 2.799 1.00 1.00 H new HETATM 0 H1VB RCY A 130 76.821 9.858 3.002 1.00 1.00 H new HETATM 0 H1VA RCY A 130 77.470 8.695 1.822 1.00 1.00 H new HETATM 0 H1MA RCY A 130 76.577 6.900 6.324 1.00 1.00 H new HETATM 0 H1LA RCY A 130 81.337 7.085 7.468 1.00 1.00 H new HETATM 0 H1CB RCY A 130 79.211 10.252 4.006 1.00 1.00 H new HETATM 0 H1CA RCY A 130 80.192 8.814 4.375 1.00 1.00 H new HETATM 0 H1Z RCY A 130 78.412 4.313 4.616 1.00 1.00 H new HETATM 0 H1Y RCY A 130 76.804 4.846 2.822 1.00 1.00 H new HETATM 0 H1V RCY A 130 76.194 8.193 2.957 1.00 1.00 H new HETATM 0 H1U RCY A 130 77.120 9.325 5.519 1.00 1.00 H new HETATM 0 H1S RCY A 130 79.761 9.368 8.784 1.00 1.00 H new HETATM 0 H1M RCY A 130 75.730 7.536 4.928 1.00 1.00 H new HETATM 0 H1L RCY A 130 81.821 8.758 7.654 1.00 1.00 H new HETATM 0 H1C RCY A 130 79.775 9.198 2.688 1.00 1.00 H new HETATM 1347 C1C RCY A 138 81.166 4.706 -3.072 1.00 1.00 C HETATM 1348 O1G RCY A 138 82.848 5.827 -4.709 1.00 1.00 O HETATM 1349 O1H RCY A 138 85.553 6.091 -0.848 1.00 1.00 O HETATM 1350 O1J RCY A 138 82.248 3.446 -5.584 1.00 1.00 O HETATM 1351 C1L RCY A 138 84.391 7.524 -3.858 1.00 1.00 C HETATM 1352 C1M RCY A 138 84.399 3.022 -2.438 1.00 1.00 C HETATM 1353 C1P RCY A 138 83.610 6.204 -3.821 1.00 1.00 C HETATM 1354 C1Q RCY A 138 84.794 6.377 -1.772 1.00 1.00 C HETATM 1355 N1R RCY A 138 83.898 5.417 -2.544 1.00 1.00 N HETATM 1356 C1S RCY A 138 84.576 7.762 -2.355 1.00 1.00 C HETATM 1357 C1U RCY A 138 83.417 4.023 -2.136 1.00 1.00 C HETATM 1358 C1V RCY A 138 81.546 2.323 -2.294 1.00 1.00 C HETATM 1359 N1V RCY A 138 82.812 3.234 -4.254 1.00 1.00 N HETATM 1360 C1W RCY A 138 84.167 2.624 -3.901 1.00 1.00 C HETATM 1361 C1X RCY A 138 82.180 3.572 -2.911 1.00 1.00 C HETATM 1362 C1Y RCY A 138 84.121 1.100 -4.043 1.00 1.00 C HETATM 1363 C1Z RCY A 138 85.237 3.218 -4.816 1.00 1.00 C HETATM 0 H1ZB RCY A 138 85.213 4.305 -4.745 1.00 1.00 H new HETATM 0 H1ZA RCY A 138 86.219 2.856 -4.511 1.00 1.00 H new HETATM 0 H1YB RCY A 138 85.067 0.675 -3.707 1.00 1.00 H new HETATM 0 H1YA RCY A 138 83.308 0.702 -3.436 1.00 1.00 H new HETATM 0 H1VB RCY A 138 81.147 2.566 -1.309 1.00 1.00 H new HETATM 0 H1VA RCY A 138 80.739 1.970 -2.936 1.00 1.00 H new HETATM 0 H1MA RCY A 138 85.407 3.410 -2.295 1.00 1.00 H new HETATM 0 H1LA RCY A 138 85.340 7.433 -4.386 1.00 1.00 H new HETATM 0 H1CB RCY A 138 80.847 5.051 -2.089 1.00 1.00 H new HETATM 0 H1CA RCY A 138 81.627 5.532 -3.614 1.00 1.00 H new HETATM 0 H1Z RCY A 138 85.043 2.917 -5.846 1.00 1.00 H new HETATM 0 H1Y RCY A 138 83.956 0.837 -5.088 1.00 1.00 H new HETATM 0 H1V RCY A 138 82.300 1.542 -2.197 1.00 1.00 H new HETATM 0 H1U RCY A 138 83.212 4.112 -1.069 1.00 1.00 H new HETATM 0 H1S RCY A 138 83.700 8.242 -1.919 1.00 1.00 H new HETATM 0 H1M RCY A 138 84.293 2.161 -1.779 1.00 1.00 H new HETATM 0 H1L RCY A 138 83.833 8.326 -4.342 1.00 1.00 H new HETATM 0 H1C RCY A 138 80.301 4.345 -3.628 1.00 1.00 H new HETATM 1366 C1C RCY A 150 81.355 -8.323 -1.410 1.00 1.00 C HETATM 1367 O1G RCY A 150 82.386 -8.358 -3.735 1.00 1.00 O HETATM 1368 O1H RCY A 150 81.303 -3.771 -3.434 1.00 1.00 O HETATM 1369 O1J RCY A 150 81.692 -6.083 0.575 1.00 1.00 O HETATM 1370 C1L RCY A 150 83.527 -6.316 -4.456 1.00 1.00 C HETATM 1371 C1M RCY A 150 79.203 -5.438 -2.271 1.00 1.00 C HETATM 1372 C1P RCY A 150 82.383 -7.132 -3.841 1.00 1.00 C HETATM 1373 C1Q RCY A 150 81.700 -4.860 -3.846 1.00 1.00 C HETATM 1374 N1R RCY A 150 81.237 -6.234 -3.378 1.00 1.00 N HETATM 1375 C1S RCY A 150 82.748 -5.082 -4.922 1.00 1.00 C HETATM 1376 C1U RCY A 150 79.953 -6.606 -2.634 1.00 1.00 C HETATM 1377 C1V RCY A 150 78.949 -7.923 -0.719 1.00 1.00 C HETATM 1378 N1V RCY A 150 80.660 -6.113 -0.458 1.00 1.00 N HETATM 1379 C1W RCY A 150 79.782 -4.957 -0.935 1.00 1.00 C HETATM 1380 C1X RCY A 150 80.221 -7.302 -1.301 1.00 1.00 C HETATM 1381 C1Y RCY A 150 78.661 -4.686 0.072 1.00 1.00 C HETATM 1382 C1Z RCY A 150 80.651 -3.713 -1.121 1.00 1.00 C HETATM 0 H1ZB RCY A 150 81.477 -3.944 -1.793 1.00 1.00 H new HETATM 0 H1ZA RCY A 150 80.050 -2.910 -1.547 1.00 1.00 H new HETATM 0 H1VB RCY A 150 78.615 -8.737 -1.362 1.00 1.00 H new HETATM 0 H1LA RCY A 150 84.302 -6.071 -3.730 1.00 1.00 H new HETATM 0 H1CB RCY A 150 81.091 -9.083 -2.145 1.00 1.00 H new HETATM 0 H1CA RCY A 150 82.270 -7.819 -1.722 1.00 1.00 H new HETATM 0 H1Z RCY A 150 81.046 -3.398 -0.155 1.00 1.00 H new HETATM 0 H1S RCY A 150 82.287 -5.249 -5.896 1.00 1.00 H new HETATM 0 H1M RCY A 150 78.142 -5.671 -2.175 1.00 1.00 H new HETATM 0 H1L RCY A 150 84.015 -6.837 -5.280 1.00 1.00 H new HETATM 0 H1C RCY A 150 81.514 -8.795 -0.441 1.00 1.00 H new HETATM 1385 C1C RCY A 160 74.969 -5.020 -1.607 1.00 1.00 C HETATM 1386 O1G RCY A 160 75.583 -6.715 -0.753 1.00 1.00 O HETATM 1387 O1H RCY A 160 79.377 -4.829 1.331 1.00 1.00 O HETATM 1388 O1J RCY A 160 73.700 -4.117 0.971 1.00 1.00 O HETATM 1389 C1L RCY A 160 77.329 -7.634 0.694 1.00 1.00 C HETATM 1390 C1M RCY A 160 77.238 -2.800 0.295 1.00 1.00 C HETATM 1391 C1P RCY A 160 76.626 -6.543 -0.125 1.00 1.00 C HETATM 1392 C1Q RCY A 160 78.626 -5.597 0.733 1.00 1.00 C HETATM 1393 N1R RCY A 160 77.384 -5.218 -0.064 1.00 1.00 N HETATM 1394 C1S RCY A 160 78.767 -7.106 0.654 1.00 1.00 C HETATM 1395 C1U RCY A 160 77.003 -3.856 -0.647 1.00 1.00 C HETATM 1396 C1V RCY A 160 75.203 -2.504 -1.807 1.00 1.00 C HETATM 1397 N1V RCY A 160 74.949 -3.578 0.441 1.00 1.00 N HETATM 1398 C1W RCY A 160 75.982 -2.723 1.173 1.00 1.00 C HETATM 1399 C1X RCY A 160 75.512 -3.743 -0.964 1.00 1.00 C HETATM 1400 C1Y RCY A 160 75.494 -1.277 1.289 1.00 1.00 C HETATM 1401 C1Z RCY A 160 76.235 -3.320 2.557 1.00 1.00 C HETATM 0 H1ZB RCY A 160 76.523 -4.366 2.455 1.00 1.00 H new HETATM 0 H1ZA RCY A 160 77.037 -2.770 3.050 1.00 1.00 H new HETATM 0 H1MA RCY A 160 78.122 -3.006 0.898 1.00 1.00 H new HETATM 0 H1CB RCY A 160 75.502 -5.214 -2.538 1.00 1.00 H new HETATM 0 H1CA RCY A 160 75.111 -5.859 -0.926 1.00 1.00 H new HETATM 0 H1Z RCY A 160 75.326 -3.250 3.155 1.00 1.00 H new HETATM 0 H1Y RCY A 160 74.603 -1.243 1.915 1.00 1.00 H new HETATM 0 H1U RCY A 160 77.612 -3.769 -1.547 1.00 1.00 H new HETATM 1404 C1C RCY A 168 76.988 -3.968 -0.724 1.00 1.00 C HETATM 1405 O1G RCY A 168 72.783 -2.724 -3.325 1.00 1.00 O HETATM 1406 O1H RCY A 168 77.097 -4.522 -3.999 1.00 1.00 O HETATM 1407 O1J RCY A 168 76.794 -1.819 1.378 1.00 1.00 O HETATM 1408 C1L RCY A 168 73.675 -4.406 -4.862 1.00 1.00 C HETATM 1409 C1M RCY A 168 74.817 -1.189 -1.847 1.00 1.00 C HETATM 1410 C1P RCY A 168 73.753 -3.346 -3.756 1.00 1.00 C HETATM 1411 C1Q RCY A 168 75.970 -4.069 -4.192 1.00 1.00 C HETATM 1412 N1R RCY A 168 75.184 -3.158 -3.257 1.00 1.00 N HETATM 1413 C1S RCY A 168 75.102 -4.315 -5.413 1.00 1.00 C HETATM 1414 C1U RCY A 168 75.705 -2.284 -2.114 1.00 1.00 C HETATM 1415 C1V RCY A 168 74.474 -3.764 -0.469 1.00 1.00 C HETATM 1416 N1V RCY A 168 75.971 -1.862 0.173 1.00 1.00 N HETATM 1417 C1W RCY A 168 75.109 -0.743 -0.409 1.00 1.00 C HETATM 1418 C1X RCY A 168 75.780 -3.031 -0.783 1.00 1.00 C HETATM 1419 C1Y RCY A 168 73.808 -0.601 0.385 1.00 1.00 C HETATM 1420 C1Z RCY A 168 75.901 0.564 -0.383 1.00 1.00 C HETATM 0 H1ZB RCY A 168 76.849 0.425 -0.902 1.00 1.00 H new HETATM 0 H1ZA RCY A 168 75.327 1.347 -0.879 1.00 1.00 H new HETATM 0 H1MA RCY A 168 74.984 -0.372 -2.549 1.00 1.00 H new HETATM 0 H1LA RCY A 168 73.440 -5.397 -4.474 1.00 1.00 H new HETATM 0 H1Z RCY A 168 76.092 0.853 0.650 1.00 1.00 H new HETATM 0 H1U RCY A 168 76.691 -1.963 -2.450 1.00 1.00 H new HETATM 0 H1S RCY A 168 75.197 -3.505 -6.136 1.00 1.00 H new HETATM 0 H1L RCY A 168 72.922 -4.170 -5.614 1.00 1.00 H new HETATM 1423 C1C RCY A 173 73.335 -2.064 0.112 1.00 1.00 C HETATM 1424 O1G RCY A 173 72.465 0.300 -3.171 1.00 1.00 O HETATM 1425 O1H RCY A 173 69.145 -2.470 -1.273 1.00 1.00 O HETATM 1426 O1J RCY A 173 75.498 -3.943 -0.816 1.00 1.00 O HETATM 1427 C1L RCY A 173 70.095 0.635 -2.662 1.00 1.00 C HETATM 1428 C1M RCY A 173 72.736 -3.178 -3.365 1.00 1.00 C HETATM 1429 C1P RCY A 173 71.404 -0.161 -2.754 1.00 1.00 C HETATM 1430 C1Q RCY A 173 69.728 -1.654 -1.985 1.00 1.00 C HETATM 1431 N1R RCY A 173 71.225 -1.597 -2.265 1.00 1.00 N HETATM 1432 C1S RCY A 173 69.084 -0.513 -2.752 1.00 1.00 C HETATM 1433 C1U RCY A 173 72.271 -2.701 -2.095 1.00 1.00 C HETATM 1434 C1V RCY A 173 74.077 -0.928 -2.029 1.00 1.00 C HETATM 1435 N1V RCY A 173 74.474 -3.377 -1.691 1.00 1.00 N HETATM 1436 C1W RCY A 173 74.103 -3.823 -3.104 1.00 1.00 C HETATM 1437 C1X RCY A 173 73.539 -2.213 -1.397 1.00 1.00 C HETATM 1438 C1Y RCY A 173 75.138 -3.318 -4.113 1.00 1.00 C HETATM 1439 C1Z RCY A 173 74.014 -5.349 -3.141 1.00 1.00 C HETATM 0 H1ZB RCY A 173 73.318 -5.692 -2.376 1.00 1.00 H new HETATM 0 H1ZA RCY A 173 73.662 -5.669 -4.121 1.00 1.00 H new HETATM 0 H1VB RCY A 173 73.371 -0.115 -1.859 1.00 1.00 H new HETATM 0 H1VA RCY A 173 75.037 -0.675 -1.578 1.00 1.00 H new HETATM 0 H1LA RCY A 173 70.011 1.193 -1.730 1.00 1.00 H new HETATM 0 H1CA RCY A 173 73.059 -3.028 0.539 1.00 1.00 H new HETATM 0 H1Z RCY A 173 74.999 -5.776 -2.952 1.00 1.00 H new HETATM 0 H1V RCY A 173 74.208 -1.077 -3.101 1.00 1.00 H new HETATM 0 H1U RCY A 173 71.761 -3.467 -1.511 1.00 1.00 H new HETATM 0 H1S RCY A 173 68.892 -0.791 -3.788 1.00 1.00 H new HETATM 0 H1L RCY A 173 69.985 1.353 -3.475 1.00 1.00 H new HETATM 1442 C1C RCY A 176 72.783 2.056 -3.229 1.00 1.00 C HETATM 1443 O1G RCY A 176 70.433 3.949 1.258 1.00 1.00 O HETATM 1444 O1H RCY A 176 70.533 3.821 -3.462 1.00 1.00 O HETATM 1445 O1J RCY A 176 75.173 0.797 -1.898 1.00 1.00 O HETATM 1446 C1L RCY A 176 68.778 4.471 -0.467 1.00 1.00 C HETATM 1447 C1M RCY A 176 72.975 2.999 0.344 1.00 1.00 C HETATM 1448 C1P RCY A 176 70.155 4.052 0.064 1.00 1.00 C HETATM 1449 C1Q RCY A 176 70.320 4.164 -2.300 1.00 1.00 C HETATM 1450 N1R RCY A 176 71.137 3.780 -1.074 1.00 1.00 N HETATM 1451 C1S RCY A 176 69.187 5.055 -1.824 1.00 1.00 C HETATM 1452 C1U RCY A 176 72.574 3.256 -1.009 1.00 1.00 C HETATM 1453 C1V RCY A 176 71.686 0.898 -1.258 1.00 1.00 C HETATM 1454 N1V RCY A 176 74.115 1.503 -1.181 1.00 1.00 N HETATM 1455 C1W RCY A 176 74.136 2.000 0.263 1.00 1.00 C HETATM 1456 C1X RCY A 176 72.745 1.907 -1.707 1.00 1.00 C HETATM 1457 C1Y RCY A 176 73.915 0.837 1.234 1.00 1.00 C HETATM 1458 C1Z RCY A 176 75.477 2.683 0.537 1.00 1.00 C HETATM 0 H1ZB RCY A 176 75.643 3.468 -0.201 1.00 1.00 H new HETATM 0 H1ZA RCY A 176 75.465 3.120 1.535 1.00 1.00 H new HETATM 0 H1YB RCY A 176 73.850 1.220 2.252 1.00 1.00 H new HETATM 0 H1VB RCY A 176 70.703 1.229 -1.593 1.00 1.00 H new HETATM 0 H1VA RCY A 176 71.907 -0.078 -1.690 1.00 1.00 H new HETATM 0 H1MA RCY A 176 73.287 3.919 0.839 1.00 1.00 H new HETATM 0 H1LA RCY A 176 68.094 3.628 -0.564 1.00 1.00 H new HETATM 0 H1CB RCY A 176 71.851 2.504 -3.574 1.00 1.00 H new HETATM 0 H1CA RCY A 176 73.619 2.696 -3.511 1.00 1.00 H new HETATM 0 H1Z RCY A 176 76.280 1.948 0.472 1.00 1.00 H new HETATM 0 H1V RCY A 176 71.693 0.823 -0.171 1.00 1.00 H new HETATM 0 H1U RCY A 176 73.166 4.035 -1.490 1.00 1.00 H new HETATM 0 H1S RCY A 176 69.511 6.091 -1.728 1.00 1.00 H new HETATM 0 H1M RCY A 176 72.148 2.589 0.924 1.00 1.00 H new HETATM 0 H1L RCY A 176 68.289 5.205 0.173 1.00 1.00 H new HETATM 0 H1C RCY A 176 72.906 1.075 -3.688 1.00 1.00 H new HETATM 1461 C1C RCY A 187 75.818 4.132 -5.188 1.00 1.00 C HETATM 1462 O1G RCY A 187 80.617 6.528 -4.263 1.00 1.00 O HETATM 1463 O1H RCY A 187 76.489 6.500 -6.556 1.00 1.00 O HETATM 1464 O1J RCY A 187 76.254 1.712 -3.451 1.00 1.00 O HETATM 1465 C1L RCY A 187 79.393 8.227 -5.530 1.00 1.00 C HETATM 1466 C1M RCY A 187 79.292 4.005 -3.920 1.00 1.00 C HETATM 1467 C1P RCY A 187 79.641 6.829 -4.949 1.00 1.00 C HETATM 1468 C1Q RCY A 187 77.663 6.705 -6.254 1.00 1.00 C HETATM 1469 N1R RCY A 187 78.526 5.856 -5.328 1.00 1.00 N HETATM 1470 C1S RCY A 187 78.524 7.858 -6.737 1.00 1.00 C HETATM 1471 C1U RCY A 187 78.318 4.403 -4.896 1.00 1.00 C HETATM 1472 C1V RCY A 187 76.741 5.205 -3.085 1.00 1.00 C HETATM 1473 N1V RCY A 187 77.217 2.800 -3.594 1.00 1.00 N HETATM 1474 C1W RCY A 187 78.686 2.808 -3.176 1.00 1.00 C HETATM 1475 C1X RCY A 187 76.980 4.179 -4.194 1.00 1.00 C HETATM 1476 C1Y RCY A 187 78.810 2.998 -1.661 1.00 1.00 C HETATM 1477 C1Z RCY A 187 79.338 1.496 -3.610 1.00 1.00 C HETATM 0 H1ZB RCY A 187 79.187 1.351 -4.680 1.00 1.00 H new HETATM 0 H1ZA RCY A 187 80.406 1.532 -3.396 1.00 1.00 H new HETATM 0 H1YB RCY A 187 79.862 3.087 -1.390 1.00 1.00 H new HETATM 0 H1YA RCY A 187 78.281 3.904 -1.363 1.00 1.00 H new HETATM 0 H1VB RCY A 187 76.628 6.196 -3.524 1.00 1.00 H new HETATM 0 H1VA RCY A 187 75.835 4.945 -2.538 1.00 1.00 H new HETATM 0 H1MA RCY A 187 80.233 3.731 -4.398 1.00 1.00 H new HETATM 0 H1LA RCY A 187 78.878 8.885 -4.830 1.00 1.00 H new HETATM 0 H1CB RCY A 187 75.765 5.076 -5.731 1.00 1.00 H new HETATM 0 H1CA RCY A 187 75.975 3.316 -5.893 1.00 1.00 H new HETATM 0 H1Z RCY A 187 78.886 0.667 -3.064 1.00 1.00 H new HETATM 0 H1Y RCY A 187 78.375 2.139 -1.150 1.00 1.00 H new HETATM 0 H1V RCY A 187 77.590 5.206 -2.401 1.00 1.00 H new HETATM 0 H1U RCY A 187 78.384 3.834 -5.824 1.00 1.00 H new HETATM 0 H1S RCY A 187 79.136 7.565 -7.590 1.00 1.00 H new HETATM 0 H1M RCY A 187 79.510 4.822 -3.232 1.00 1.00 H new HETATM 0 H1L RCY A 187 80.316 8.729 -5.818 1.00 1.00 H new HETATM 0 H1C RCY A 187 74.884 3.971 -4.649 1.00 1.00 H new