USER MOD reduce.3.24.130724 H: found=0, std=0, add=782, rem=0, adj=20 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 11 ARG H : A 11 ARG N : A 110 RCY C1Z :(H bumps) USER MOD NoAdj-H: A 22 THR H : A 22 THR N : A 121 RCY C1P :(H bumps) USER MOD NoAdj-H: A 24 ARG H : A 24 ARG N : A 121 RCY C1Y :(H bumps) USER MOD NoAdj-H: A 110 RCYH1ZB : A 110 RCY C1Z : A 11 ARG N :(H bumps) USER MOD NoAdj-H: A 110 RCYH1YB : A 110 RCY C1Y : A 11 ARG CD :(H bumps) USER MOD NoAdj-H: A 110 RCYH1YA : A 110 RCY C1Y : A 11 ARG CD :(H bumps) USER MOD NoAdj-H: A 110 RCYH1SA : A 110 RCY C1S : A 10 CYS SG :(H bumps) USER MOD NoAdj-H: A 110 RCYH1CB : A 110 RCY C1C : A 12 SER CB :(H bumps) USER MOD NoAdj-H: A 110 RCY H1Z : A 110 RCY C1Z : A 11 ARG N :(H bumps) USER MOD NoAdj-H: A 110 RCY H1Y : A 110 RCY C1Y : A 11 ARG CD :(H bumps) USER MOD NoAdj-H: A 110 RCY H1M : A 110 RCY C1M : A 11 ARG CB :(H bumps) USER MOD NoAdj-H: A 110 RCY H1C : A 110 RCY C1C : A 12 SER CB :(H bumps) USER MOD NoAdj-H: A 121 RCYH1ZB : A 121 RCY C1Z : A 23 PRO CA :(H bumps) USER MOD NoAdj-H: A 121 RCYH1ZA : A 121 RCY C1Z : A 23 PRO CA :(H bumps) USER MOD NoAdj-H: A 121 RCYH1YB : A 121 RCY C1Y : A 24 ARG N :(H bumps) USER MOD NoAdj-H: A 121 RCYH1YA : A 121 RCY C1Y : A 24 ARG N :(H bumps) USER MOD NoAdj-H: A 121 RCYH1SA : A 121 RCY C1S : A 21 CYS SG :(H bumps) USER MOD NoAdj-H: A 121 RCYH1MA : A 121 RCY C1M : A 23 PRO C :(H bumps) USER MOD NoAdj-H: A 121 RCY H1M : A 121 RCY C1M : A 24 ARG N :(H bumps) USER MOD NoAdj-H: A 121 RCY H1L : A 121 RCY C1L : A 21 CYS O :(H bumps) USER MOD NoAdj-H: A 130 RCYH1ZA : A 130 RCY C1Z : A 35 THR CB :(H bumps) USER MOD NoAdj-H: A 130 RCYH1YB : A 130 RCY C1Y : A 35 THR CA :(H bumps) USER MOD NoAdj-H: A 130 RCYH1YA : A 130 RCY C1Y : A 35 THR CA :(H bumps) USER MOD NoAdj-H: A 130 RCYH1SA : A 130 RCY C1S : A 30 CYS SG :(H bumps) USER MOD NoAdj-H: A 130 RCY H1Z : A 130 RCY C1Z : A 35 THR CB :(H bumps) USER MOD NoAdj-H: A 130 RCY H1Y : A 130 RCY C1Y : A 35 THR CA :(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 RCYH1SA : A 150 RCY C1S : A 50 CYS SG :(H bumps) USER MOD NoAdj-H: A 150 RCYH1CB : A 150 RCY C1C : A 71 GLU CD :(H bumps) USER MOD NoAdj-H: A 150 RCYH1CA : A 150 RCY C1C : A 71 GLU CD :(H bumps) USER MOD NoAdj-H: A 160 RCYH1SA : A 160 RCY C1S : A 60 CYS SG :(H bumps) USER MOD NoAdj-H: A 168 RCYH1YB : A 168 RCY C1Y : A 173 RCY C1M :(H bumps) USER MOD NoAdj-H: A 168 RCYH1YA : A 168 RCY C1Y : A 173 RCY C1M :(H bumps) USER MOD NoAdj-H: A 168 RCYH1SA : A 168 RCY C1S : A 68 CYS SG :(H bumps) USER MOD NoAdj-H: A 168 RCY H1Y : A 168 RCY C1Y : A 173 RCY C1M :(H bumps) USER MOD NoAdj-H: A 173 RCYH1ZA : A 173 RCY C1Z : A 187 RCY O1G :(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 187 RCY C1P :(H bumps) USER MOD NoAdj-H: A 173 RCY H1U : A 173 RCY C1U : A 187 RCY C1L :(H bumps) USER MOD NoAdj-H: A 173 RCY H1M : A 173 RCY C1M : A 168 RCY C1Y :(H bumps) USER MOD NoAdj-H: A 176 RCYH1ZB : A 176 RCY C1Z : A 173 RCY O1H :(H bumps) USER MOD NoAdj-H: A 176 RCYH1SA : A 176 RCY C1S : A 76 CYS SG :(H bumps) USER MOD NoAdj-H: A 176 RCYH1CB : A 176 RCY C1C : A 187 RCY C1Z :(H bumps) USER MOD NoAdj-H: A 176 RCY H1C : A 176 RCY C1C : A 187 RCY C1Z :(H bumps) USER MOD NoAdj-H: A 187 RCYH1ZB : A 187 RCY C1Z : A 176 RCY C1C :(H bumps) USER MOD NoAdj-H: A 187 RCYH1ZA : A 187 RCY C1Z : A 176 RCY C1C :(H bumps) USER MOD NoAdj-H: A 187 RCYH1SA : A 187 RCY C1S : A 87 CYS SG :(H bumps) USER MOD NoAdj-H: A 187 RCYH1LA : A 187 RCY C1L : A 173 RCY C1U :(H bumps) USER MOD NoAdj-H: A 187 RCY H1S : A 187 RCY C1S : A 176 RCY O1J :(H bumps) USER MOD NoAdj-H: A 187 RCY H1L : A 187 RCY C1L : A 173 RCY C1U :(H bumps) USER MOD Single : A 1 MET CE :methyl 174:sc= 0 (180deg=-0.00478) USER MOD Single : A 1 MET N :NH3+ -146:sc= 0 (180deg=-0.0659) USER MOD Single : A 2 ASN : amide:sc= -1.21 X(o=-1.2,f=-1) USER MOD Single : A 7 LYS NZ :NH3+ -117:sc= -1.01 (180deg=-2.66!) USER MOD Single : A 12 SER OG : rot -54:sc= 0.269 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl -167:sc= 0 (180deg=-0.225) 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= -0.159 (180deg=-0.911) USER MOD Single : A 31 LYS NZ :NH3+ 130:sc= -2.4! (180deg=-4.81!) USER MOD Single : A 32 GLN : amide:sc= -0.164 K(o=-0.16,f=-0.86) USER MOD Single : A 34 GLN :FLIP amide:sc= -1.11 F(o=-8.8!,f=-1.1) USER MOD Single : A 35 THR OG1 : rot -69:sc= 1.12 USER MOD Single : A 37 GLN : amide:sc= -0.137 K(o=-0.14,f=-2) USER MOD Single : A 39 LYS NZ :NH3+ -108:sc= -0.999 (180deg=-2.27!) USER MOD Single : A 40 SER OG : rot -7:sc= 0.916 USER MOD Single : A 41 LYS NZ :NH3+ -155:sc= -1.43 (180deg=-2.88!) USER MOD Single : A 44 LYS NZ :NH3+ -152:sc= -1.22 (180deg=-2.06!) USER MOD Single : A 45 LYS NZ :NH3+ 138:sc= -1.6 (180deg=-3.85!) USER MOD Single : A 48 GLN :FLIP amide:sc= -0.349 F(o=-1.5,f=-0.35) USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 15:sc= 1.18 USER MOD Single : A 65 THR OG1 : rot -65:sc= 1.14 USER MOD Single : A 74 ASN : amide:sc= -0.114 K(o=-0.11,f=-1.9!) USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 79 HIS : no HD1:sc= -0.347 K(o=-0.35,f=-1.4!) USER MOD Single : A 83 GLN : amide:sc= -0.016 K(o=-0.016,f=-0.54) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 56.031 -5.005 11.480 1.00 1.00 N ATOM 2 CA MET A 1 54.811 -4.858 12.323 1.00 1.00 C ATOM 3 C MET A 1 55.168 -4.111 13.610 1.00 1.00 C ATOM 4 O MET A 1 55.619 -4.696 14.575 1.00 1.00 O ATOM 5 CB MET A 1 54.262 -6.246 12.671 1.00 1.00 C ATOM 6 CG MET A 1 53.480 -6.800 11.478 1.00 1.00 C ATOM 7 SD MET A 1 51.813 -6.096 11.470 1.00 1.00 S ATOM 8 CE MET A 1 51.924 -5.268 9.865 1.00 1.00 C ATOM 0 H1 MET A 1 55.767 -4.955 10.475 1.00 1.00 H new ATOM 0 H2 MET A 1 56.700 -4.240 11.701 1.00 1.00 H new ATOM 0 H3 MET A 1 56.479 -5.923 11.675 1.00 1.00 H new ATOM 0 HA MET A 1 54.055 -4.295 11.775 1.00 1.00 H new ATOM 0 HB2 MET A 1 55.081 -6.919 12.927 1.00 1.00 H new ATOM 0 HB3 MET A 1 53.615 -6.184 13.546 1.00 1.00 H new ATOM 0 HG2 MET A 1 53.994 -6.556 10.548 1.00 1.00 H new ATOM 0 HG3 MET A 1 53.427 -7.887 11.537 1.00 1.00 H new ATOM 0 HE1 MET A 1 50.952 -4.848 9.604 1.00 1.00 H new ATOM 0 HE2 MET A 1 52.662 -4.468 9.919 1.00 1.00 H new ATOM 0 HE3 MET A 1 52.224 -5.988 9.104 1.00 1.00 H new ATOM 17 N ASN A 2 54.968 -2.822 13.631 1.00 1.00 N ATOM 18 CA ASN A 2 55.295 -2.035 14.854 1.00 1.00 C ATOM 19 C ASN A 2 54.672 -0.641 14.737 1.00 1.00 C ATOM 20 O ASN A 2 53.905 -0.366 13.836 1.00 1.00 O ATOM 21 CB ASN A 2 56.820 -1.912 14.990 1.00 1.00 C ATOM 22 CG ASN A 2 57.334 -2.980 15.958 1.00 1.00 C ATOM 23 OD1 ASN A 2 58.170 -3.786 15.602 1.00 1.00 O ATOM 24 ND2 ASN A 2 56.866 -3.019 17.175 1.00 1.00 N ATOM 0 H ASN A 2 54.592 -2.279 12.854 1.00 1.00 H new ATOM 0 HA ASN A 2 54.896 -2.539 15.734 1.00 1.00 H new ATOM 0 HB2 ASN A 2 57.293 -2.031 14.015 1.00 1.00 H new ATOM 0 HB3 ASN A 2 57.084 -0.919 15.354 1.00 1.00 H new ATOM 0 HD21 ASN A 2 57.202 -3.727 17.828 1.00 1.00 H new ATOM 0 HD22 ASN A 2 56.164 -2.342 17.473 1.00 1.00 H new ATOM 31 N LEU A 3 54.995 0.241 15.643 1.00 1.00 N ATOM 32 CA LEU A 3 54.422 1.615 15.583 1.00 1.00 C ATOM 33 C LEU A 3 55.068 2.379 14.424 1.00 1.00 C ATOM 34 O LEU A 3 54.393 2.907 13.562 1.00 1.00 O ATOM 35 CB LEU A 3 54.707 2.340 16.907 1.00 1.00 C ATOM 36 CG LEU A 3 53.632 3.399 17.156 1.00 1.00 C ATOM 37 CD1 LEU A 3 53.518 4.310 15.932 1.00 1.00 C ATOM 38 CD2 LEU A 3 52.288 2.711 17.406 1.00 1.00 C ATOM 0 H LEU A 3 55.631 0.069 16.422 1.00 1.00 H new ATOM 0 HA LEU A 3 53.345 1.562 15.425 1.00 1.00 H new ATOM 0 HB2 LEU A 3 54.723 1.624 17.729 1.00 1.00 H new ATOM 0 HB3 LEU A 3 55.691 2.808 16.872 1.00 1.00 H new ATOM 0 HG LEU A 3 53.904 3.995 18.027 1.00 1.00 H new ATOM 0 HD11 LEU A 3 52.752 5.064 16.110 1.00 1.00 H new ATOM 0 HD12 LEU A 3 54.475 4.800 15.753 1.00 1.00 H new ATOM 0 HD13 LEU A 3 53.246 3.715 15.060 1.00 1.00 H new ATOM 0 HD21 LEU A 3 51.521 3.465 17.584 1.00 1.00 H new ATOM 0 HD22 LEU A 3 52.017 2.115 16.534 1.00 1.00 H new ATOM 0 HD23 LEU A 3 52.368 2.062 18.278 1.00 1.00 H new ATOM 50 N GLU A 4 56.371 2.442 14.396 1.00 1.00 N ATOM 51 CA GLU A 4 57.059 3.171 13.294 1.00 1.00 C ATOM 52 C GLU A 4 56.511 2.688 11.945 1.00 1.00 C ATOM 53 O GLU A 4 56.094 1.555 11.811 1.00 1.00 O ATOM 54 CB GLU A 4 58.563 2.892 13.365 1.00 1.00 C ATOM 55 CG GLU A 4 59.177 3.694 14.514 1.00 1.00 C ATOM 56 CD GLU A 4 60.658 3.335 14.653 1.00 1.00 C ATOM 57 OE1 GLU A 4 61.465 3.968 13.993 1.00 1.00 O ATOM 58 OE2 GLU A 4 60.960 2.434 15.418 1.00 1.00 O ATOM 0 H GLU A 4 56.989 2.020 15.089 1.00 1.00 H new ATOM 0 HA GLU A 4 56.882 4.242 13.395 1.00 1.00 H new ATOM 0 HB2 GLU A 4 58.739 1.827 13.516 1.00 1.00 H new ATOM 0 HB3 GLU A 4 59.039 3.164 12.423 1.00 1.00 H new ATOM 0 HG2 GLU A 4 59.067 4.762 14.326 1.00 1.00 H new ATOM 0 HG3 GLU A 4 58.651 3.478 15.444 1.00 1.00 H new ATOM 65 N PRO A 5 56.515 3.541 10.950 1.00 1.00 N ATOM 66 CA PRO A 5 56.014 3.194 9.592 1.00 1.00 C ATOM 67 C PRO A 5 56.383 1.760 9.180 1.00 1.00 C ATOM 68 O PRO A 5 57.510 1.490 8.814 1.00 1.00 O ATOM 69 CB PRO A 5 56.725 4.207 8.695 1.00 1.00 C ATOM 70 CG PRO A 5 56.923 5.414 9.553 1.00 1.00 C ATOM 71 CD PRO A 5 57.001 4.929 11.006 1.00 1.00 C ATOM 0 HA PRO A 5 54.926 3.233 9.532 1.00 1.00 H new ATOM 0 HB2 PRO A 5 57.678 3.817 8.338 1.00 1.00 H new ATOM 0 HB3 PRO A 5 56.127 4.443 7.815 1.00 1.00 H new ATOM 0 HG2 PRO A 5 57.836 5.939 9.273 1.00 1.00 H new ATOM 0 HG3 PRO A 5 56.099 6.116 9.425 1.00 1.00 H new ATOM 0 HD2 PRO A 5 58.021 4.979 11.388 1.00 1.00 H new ATOM 0 HD3 PRO A 5 56.384 5.541 11.664 1.00 1.00 H new ATOM 79 N PRO A 6 55.444 0.847 9.236 1.00 1.00 N ATOM 80 CA PRO A 6 55.688 -0.573 8.861 1.00 1.00 C ATOM 81 C PRO A 6 55.635 -0.785 7.343 1.00 1.00 C ATOM 82 O PRO A 6 54.712 -0.357 6.679 1.00 1.00 O ATOM 83 CB PRO A 6 54.551 -1.323 9.555 1.00 1.00 C ATOM 84 CG PRO A 6 53.429 -0.339 9.639 1.00 1.00 C ATOM 85 CD PRO A 6 54.053 1.062 9.665 1.00 1.00 C ATOM 0 HA PRO A 6 56.679 -0.915 9.160 1.00 1.00 H new ATOM 0 HB2 PRO A 6 54.258 -2.207 8.988 1.00 1.00 H new ATOM 0 HB3 PRO A 6 54.851 -1.664 10.546 1.00 1.00 H new ATOM 0 HG2 PRO A 6 52.759 -0.446 8.786 1.00 1.00 H new ATOM 0 HG3 PRO A 6 52.833 -0.511 10.535 1.00 1.00 H new ATOM 0 HD2 PRO A 6 53.530 1.743 8.994 1.00 1.00 H new ATOM 0 HD3 PRO A 6 54.007 1.500 10.662 1.00 1.00 H new ATOM 93 N LYS A 7 56.619 -1.441 6.792 1.00 1.00 N ATOM 94 CA LYS A 7 56.629 -1.679 5.319 1.00 1.00 C ATOM 95 C LYS A 7 55.954 -3.017 5.012 1.00 1.00 C ATOM 96 O LYS A 7 54.792 -3.219 5.302 1.00 1.00 O ATOM 97 CB LYS A 7 58.077 -1.710 4.819 1.00 1.00 C ATOM 98 CG LYS A 7 58.095 -1.840 3.295 1.00 1.00 C ATOM 99 CD LYS A 7 58.926 -0.704 2.695 1.00 1.00 C ATOM 100 CE LYS A 7 58.219 0.631 2.938 1.00 1.00 C ATOM 101 NZ LYS A 7 58.865 1.334 4.082 1.00 1.00 N ATOM 0 H LYS A 7 57.418 -1.823 7.298 1.00 1.00 H new ATOM 0 HA LYS A 7 56.087 -0.877 4.817 1.00 1.00 H new ATOM 0 HB2 LYS A 7 58.596 -0.800 5.122 1.00 1.00 H new ATOM 0 HB3 LYS A 7 58.610 -2.547 5.271 1.00 1.00 H new ATOM 0 HG2 LYS A 7 58.515 -2.804 3.007 1.00 1.00 H new ATOM 0 HG3 LYS A 7 57.078 -1.806 2.905 1.00 1.00 H new ATOM 0 HD2 LYS A 7 59.919 -0.689 3.145 1.00 1.00 H new ATOM 0 HD3 LYS A 7 59.063 -0.865 1.626 1.00 1.00 H new ATOM 0 HE2 LYS A 7 58.269 1.250 2.042 1.00 1.00 H new ATOM 0 HE3 LYS A 7 57.163 0.462 3.150 1.00 1.00 H new ATOM 0 HZ1 LYS A 7 58.178 1.443 4.855 1.00 1.00 H new ATOM 0 HZ2 LYS A 7 59.678 0.778 4.417 1.00 1.00 H new ATOM 0 HZ3 LYS A 7 59.191 2.272 3.774 1.00 1.00 H new ATOM 115 N ALA A 8 56.675 -3.934 4.425 1.00 1.00 N ATOM 116 CA ALA A 8 56.077 -5.258 4.097 1.00 1.00 C ATOM 117 C ALA A 8 57.186 -6.227 3.683 1.00 1.00 C ATOM 118 O ALA A 8 57.827 -6.053 2.665 1.00 1.00 O ATOM 119 CB ALA A 8 55.082 -5.099 2.945 1.00 1.00 C ATOM 0 H ALA A 8 57.653 -3.822 4.159 1.00 1.00 H new ATOM 0 HA ALA A 8 55.558 -5.650 4.972 1.00 1.00 H new ATOM 0 HB1 ALA A 8 54.645 -6.068 2.705 1.00 1.00 H new ATOM 0 HB2 ALA A 8 54.292 -4.407 3.239 1.00 1.00 H new ATOM 0 HB3 ALA A 8 55.599 -4.708 2.069 1.00 1.00 H new ATOM 125 N GLU A 9 57.420 -7.245 4.464 1.00 1.00 N ATOM 126 CA GLU A 9 58.490 -8.222 4.115 1.00 1.00 C ATOM 127 C GLU A 9 57.975 -9.180 3.039 1.00 1.00 C ATOM 128 O GLU A 9 57.964 -10.381 3.219 1.00 1.00 O ATOM 129 CB GLU A 9 58.880 -9.018 5.362 1.00 1.00 C ATOM 130 CG GLU A 9 59.688 -8.125 6.306 1.00 1.00 C ATOM 131 CD GLU A 9 61.113 -7.975 5.772 1.00 1.00 C ATOM 132 OE1 GLU A 9 61.715 -8.987 5.453 1.00 1.00 O ATOM 133 OE2 GLU A 9 61.579 -6.850 5.692 1.00 1.00 O ATOM 0 H GLU A 9 56.917 -7.443 5.329 1.00 1.00 H new ATOM 0 HA GLU A 9 59.362 -7.687 3.738 1.00 1.00 H new ATOM 0 HB2 GLU A 9 57.986 -9.384 5.867 1.00 1.00 H new ATOM 0 HB3 GLU A 9 59.467 -9.892 5.080 1.00 1.00 H new ATOM 0 HG2 GLU A 9 59.215 -7.146 6.391 1.00 1.00 H new ATOM 0 HG3 GLU A 9 59.707 -8.558 7.306 1.00 1.00 H new ATOM 140 N CYS A 10 57.549 -8.659 1.920 1.00 1.00 N ATOM 141 CA CYS A 10 57.037 -9.543 0.835 1.00 1.00 C ATOM 142 C CYS A 10 57.156 -8.820 -0.509 1.00 1.00 C ATOM 143 O CYS A 10 56.633 -9.263 -1.512 1.00 1.00 O ATOM 144 CB CYS A 10 55.569 -9.886 1.109 1.00 1.00 C ATOM 145 SG CYS A 10 55.258 -11.610 0.654 1.00 1.00 S ATOM 0 H CYS A 10 57.534 -7.661 1.711 1.00 1.00 H new ATOM 0 HA CYS A 10 57.623 -10.462 0.803 1.00 1.00 H new ATOM 0 HB2 CYS A 10 55.338 -9.729 2.163 1.00 1.00 H new ATOM 0 HB3 CYS A 10 54.917 -9.225 0.538 1.00 1.00 H new ATOM 150 N ARG A 11 57.842 -7.709 -0.538 1.00 1.00 N ATOM 151 CA ARG A 11 57.995 -6.959 -1.816 1.00 1.00 C ATOM 152 C ARG A 11 56.622 -6.767 -2.465 1.00 1.00 C ATOM 153 O ARG A 11 55.609 -7.165 -1.926 1.00 1.00 O ATOM 154 CB ARG A 11 58.903 -7.749 -2.765 1.00 1.00 C ATOM 155 CG ARG A 11 60.363 -7.574 -2.342 1.00 1.00 C ATOM 156 CD ARG A 11 60.941 -6.324 -3.007 1.00 1.00 C ATOM 157 NE ARG A 11 62.375 -6.178 -2.627 1.00 1.00 N ATOM 158 CZ ARG A 11 62.695 -5.784 -1.425 1.00 1.00 C ATOM 159 NH1 ARG A 11 61.759 -5.518 -0.555 1.00 1.00 N ATOM 160 NH2 ARG A 11 63.950 -5.656 -1.092 1.00 1.00 N ATOM 0 HA ARG A 11 58.439 -5.984 -1.614 1.00 1.00 H new ATOM 0 HB2 ARG A 11 58.633 -8.805 -2.748 1.00 1.00 H new ATOM 0 HB3 ARG A 11 58.766 -7.401 -3.789 1.00 1.00 H new ATOM 0 HG2 ARG A 11 60.430 -7.486 -1.258 1.00 1.00 H new ATOM 0 HG3 ARG A 11 60.943 -8.452 -2.627 1.00 1.00 H new ATOM 0 HD2 ARG A 11 60.846 -6.398 -4.090 1.00 1.00 H new ATOM 0 HD3 ARG A 11 60.380 -5.442 -2.698 1.00 1.00 H new ATOM 0 HE ARG A 11 63.106 -6.386 -3.307 1.00 1.00 H new ATOM 0 HH11 ARG A 11 60.778 -5.618 -0.815 1.00 1.00 H new ATOM 0 HH12 ARG A 11 62.009 -5.210 0.385 1.00 1.00 H new ATOM 0 HH21 ARG A 11 64.682 -5.864 -1.772 1.00 1.00 H new ATOM 0 HH22 ARG A 11 64.199 -5.348 -0.152 1.00 1.00 H new ATOM 174 N SER A 12 56.582 -6.160 -3.619 1.00 1.00 N ATOM 175 CA SER A 12 55.275 -5.942 -4.302 1.00 1.00 C ATOM 176 C SER A 12 54.290 -5.299 -3.325 1.00 1.00 C ATOM 177 O SER A 12 53.089 -5.391 -3.487 1.00 1.00 O ATOM 178 CB SER A 12 54.719 -7.285 -4.777 1.00 1.00 C ATOM 179 OG SER A 12 53.667 -7.056 -5.704 1.00 1.00 O ATOM 0 H SER A 12 57.397 -5.805 -4.119 1.00 1.00 H new ATOM 0 HA SER A 12 55.418 -5.284 -5.159 1.00 1.00 H new ATOM 0 HB2 SER A 12 55.509 -7.874 -5.244 1.00 1.00 H new ATOM 0 HB3 SER A 12 54.352 -7.861 -3.927 1.00 1.00 H new ATOM 0 HG SER A 12 53.000 -6.462 -5.301 1.00 1.00 H new ATOM 185 N ALA A 13 54.788 -4.647 -2.309 1.00 1.00 N ATOM 186 CA ALA A 13 53.881 -3.997 -1.320 1.00 1.00 C ATOM 187 C ALA A 13 54.550 -2.736 -0.769 1.00 1.00 C ATOM 188 O ALA A 13 54.631 -2.537 0.427 1.00 1.00 O ATOM 189 CB ALA A 13 53.600 -4.969 -0.171 1.00 1.00 C ATOM 0 H ALA A 13 55.784 -4.536 -2.121 1.00 1.00 H new ATOM 0 HA ALA A 13 52.943 -3.729 -1.807 1.00 1.00 H new ATOM 0 HB1 ALA A 13 52.937 -4.495 0.553 1.00 1.00 H new ATOM 0 HB2 ALA A 13 53.125 -5.868 -0.563 1.00 1.00 H new ATOM 0 HB3 ALA A 13 54.537 -5.237 0.317 1.00 1.00 H new ATOM 195 N THR A 14 55.029 -1.883 -1.632 1.00 1.00 N ATOM 196 CA THR A 14 55.692 -0.635 -1.158 1.00 1.00 C ATOM 197 C THR A 14 55.665 0.411 -2.274 1.00 1.00 C ATOM 198 O THR A 14 55.902 0.109 -3.427 1.00 1.00 O ATOM 199 CB THR A 14 57.144 -0.940 -0.780 1.00 1.00 C ATOM 200 OG1 THR A 14 57.893 0.267 -0.773 1.00 1.00 O ATOM 201 CG2 THR A 14 57.745 -1.911 -1.798 1.00 1.00 C ATOM 0 H THR A 14 54.990 -1.996 -2.645 1.00 1.00 H new ATOM 0 HA THR A 14 55.163 -0.251 -0.286 1.00 1.00 H new ATOM 0 HB THR A 14 57.175 -1.392 0.211 1.00 1.00 H new ATOM 0 HG1 THR A 14 58.822 0.074 -0.530 1.00 1.00 H new ATOM 0 HG21 THR A 14 58.779 -2.127 -1.528 1.00 1.00 H new ATOM 0 HG22 THR A 14 57.169 -2.837 -1.802 1.00 1.00 H new ATOM 0 HG23 THR A 14 57.716 -1.462 -2.791 1.00 1.00 H new ATOM 209 N ARG A 15 55.377 1.640 -1.942 1.00 1.00 N ATOM 210 CA ARG A 15 55.334 2.705 -2.984 1.00 1.00 C ATOM 211 C ARG A 15 56.746 3.243 -3.224 1.00 1.00 C ATOM 212 O ARG A 15 56.973 4.437 -3.226 1.00 1.00 O ATOM 213 CB ARG A 15 54.426 3.844 -2.511 1.00 1.00 C ATOM 214 CG ARG A 15 54.046 4.724 -3.703 1.00 1.00 C ATOM 215 CD ARG A 15 53.449 6.039 -3.199 1.00 1.00 C ATOM 216 NE ARG A 15 52.705 6.704 -4.305 1.00 1.00 N ATOM 217 CZ ARG A 15 51.485 6.336 -4.585 1.00 1.00 C ATOM 218 NH1 ARG A 15 50.916 5.385 -3.895 1.00 1.00 N ATOM 219 NH2 ARG A 15 50.833 6.918 -5.554 1.00 1.00 N ATOM 0 H ARG A 15 55.169 1.953 -0.994 1.00 1.00 H new ATOM 0 HA ARG A 15 54.942 2.289 -3.913 1.00 1.00 H new ATOM 0 HB2 ARG A 15 53.528 3.438 -2.045 1.00 1.00 H new ATOM 0 HB3 ARG A 15 54.936 4.440 -1.754 1.00 1.00 H new ATOM 0 HG2 ARG A 15 54.925 4.923 -4.316 1.00 1.00 H new ATOM 0 HG3 ARG A 15 53.326 4.205 -4.336 1.00 1.00 H new ATOM 0 HD2 ARG A 15 52.780 5.849 -2.360 1.00 1.00 H new ATOM 0 HD3 ARG A 15 54.240 6.694 -2.834 1.00 1.00 H new ATOM 0 HE ARG A 15 53.150 7.447 -4.844 1.00 1.00 H new ATOM 0 HH11 ARG A 15 51.425 4.930 -3.137 1.00 1.00 H new ATOM 0 HH12 ARG A 15 49.962 5.097 -4.114 1.00 1.00 H new ATOM 0 HH21 ARG A 15 51.277 7.661 -6.093 1.00 1.00 H new ATOM 0 HH22 ARG A 15 49.879 6.630 -5.772 1.00 1.00 H new ATOM 233 N VAL A 16 57.697 2.372 -3.426 1.00 1.00 N ATOM 234 CA VAL A 16 59.095 2.834 -3.666 1.00 1.00 C ATOM 235 C VAL A 16 59.827 1.810 -4.535 1.00 1.00 C ATOM 236 O VAL A 16 60.740 2.142 -5.265 1.00 1.00 O ATOM 237 CB VAL A 16 59.821 2.980 -2.328 1.00 1.00 C ATOM 238 CG1 VAL A 16 61.287 3.337 -2.578 1.00 1.00 C ATOM 239 CG2 VAL A 16 59.160 4.091 -1.509 1.00 1.00 C ATOM 0 H VAL A 16 57.567 1.360 -3.435 1.00 1.00 H new ATOM 0 HA VAL A 16 59.077 3.797 -4.176 1.00 1.00 H new ATOM 0 HB VAL A 16 59.765 2.039 -1.780 1.00 1.00 H new ATOM 0 HG11 VAL A 16 61.804 3.441 -1.624 1.00 1.00 H new ATOM 0 HG12 VAL A 16 61.759 2.547 -3.162 1.00 1.00 H new ATOM 0 HG13 VAL A 16 61.344 4.278 -3.126 1.00 1.00 H new ATOM 0 HG21 VAL A 16 59.677 4.196 -0.555 1.00 1.00 H new ATOM 0 HG22 VAL A 16 59.217 5.031 -2.058 1.00 1.00 H new ATOM 0 HG23 VAL A 16 58.115 3.838 -1.330 1.00 1.00 H new ATOM 249 N MET A 17 59.433 0.565 -4.461 1.00 1.00 N ATOM 250 CA MET A 17 60.101 -0.490 -5.280 1.00 1.00 C ATOM 251 C MET A 17 59.090 -1.086 -6.263 1.00 1.00 C ATOM 252 O MET A 17 57.908 -0.816 -6.192 1.00 1.00 O ATOM 253 CB MET A 17 60.625 -1.594 -4.358 1.00 1.00 C ATOM 254 CG MET A 17 61.809 -1.063 -3.548 1.00 1.00 C ATOM 255 SD MET A 17 62.222 -2.244 -2.240 1.00 1.00 S ATOM 256 CE MET A 17 63.646 -1.350 -1.568 1.00 1.00 C ATOM 0 H MET A 17 58.674 0.232 -3.866 1.00 1.00 H new ATOM 0 HA MET A 17 60.932 -0.051 -5.832 1.00 1.00 H new ATOM 0 HB2 MET A 17 59.833 -1.929 -3.688 1.00 1.00 H new ATOM 0 HB3 MET A 17 60.932 -2.459 -4.946 1.00 1.00 H new ATOM 0 HG2 MET A 17 62.669 -0.909 -4.199 1.00 1.00 H new ATOM 0 HG3 MET A 17 61.561 -0.095 -3.114 1.00 1.00 H new ATOM 0 HE1 MET A 17 64.202 -2.004 -0.897 1.00 1.00 H new ATOM 0 HE2 MET A 17 64.294 -1.032 -2.385 1.00 1.00 H new ATOM 0 HE3 MET A 17 63.300 -0.475 -1.018 1.00 1.00 H new ATOM 266 N GLY A 18 59.546 -1.895 -7.180 1.00 1.00 N ATOM 267 CA GLY A 18 58.610 -2.507 -8.166 1.00 1.00 C ATOM 268 C GLY A 18 57.836 -1.404 -8.889 1.00 1.00 C ATOM 269 O GLY A 18 56.875 -0.869 -8.373 1.00 1.00 O ATOM 0 H GLY A 18 60.525 -2.159 -7.289 1.00 1.00 H new ATOM 0 HA2 GLY A 18 59.166 -3.108 -8.886 1.00 1.00 H new ATOM 0 HA3 GLY A 18 57.918 -3.178 -7.658 1.00 1.00 H new ATOM 273 N GLY A 19 58.249 -1.060 -10.081 1.00 1.00 N ATOM 274 CA GLY A 19 57.543 0.010 -10.847 1.00 1.00 C ATOM 275 C GLY A 19 58.552 1.077 -11.274 1.00 1.00 C ATOM 276 O GLY A 19 59.736 0.954 -11.030 1.00 1.00 O ATOM 0 H GLY A 19 59.048 -1.476 -10.559 1.00 1.00 H new ATOM 0 HA2 GLY A 19 57.055 -0.416 -11.723 1.00 1.00 H new ATOM 0 HA3 GLY A 19 56.762 0.457 -10.233 1.00 1.00 H new ATOM 280 N PRO A 20 58.083 2.119 -11.906 1.00 1.00 N ATOM 281 CA PRO A 20 58.952 3.234 -12.376 1.00 1.00 C ATOM 282 C PRO A 20 59.962 3.666 -11.308 1.00 1.00 C ATOM 283 O PRO A 20 59.603 3.948 -10.181 1.00 1.00 O ATOM 284 CB PRO A 20 57.960 4.359 -12.674 1.00 1.00 C ATOM 285 CG PRO A 20 56.682 3.669 -13.020 1.00 1.00 C ATOM 286 CD PRO A 20 56.669 2.349 -12.244 1.00 1.00 C ATOM 0 HA PRO A 20 59.556 2.950 -13.238 1.00 1.00 H new ATOM 0 HB2 PRO A 20 57.834 5.012 -11.811 1.00 1.00 H new ATOM 0 HB3 PRO A 20 58.307 4.983 -13.498 1.00 1.00 H new ATOM 0 HG2 PRO A 20 55.824 4.285 -12.750 1.00 1.00 H new ATOM 0 HG3 PRO A 20 56.619 3.488 -14.093 1.00 1.00 H new ATOM 0 HD2 PRO A 20 56.051 2.419 -11.349 1.00 1.00 H new ATOM 0 HD3 PRO A 20 56.266 1.536 -12.847 1.00 1.00 H new ATOM 294 N CYS A 21 61.222 3.714 -11.652 1.00 1.00 N ATOM 295 CA CYS A 21 62.257 4.122 -10.659 1.00 1.00 C ATOM 296 C CYS A 21 63.253 5.074 -11.325 1.00 1.00 C ATOM 297 O CYS A 21 64.089 4.666 -12.106 1.00 1.00 O ATOM 298 CB CYS A 21 62.992 2.876 -10.152 1.00 1.00 C ATOM 299 SG CYS A 21 64.666 3.329 -9.635 1.00 1.00 S ATOM 0 H CYS A 21 61.579 3.488 -12.580 1.00 1.00 H new ATOM 0 HA CYS A 21 61.781 4.628 -9.819 1.00 1.00 H new ATOM 0 HB2 CYS A 21 62.449 2.436 -9.316 1.00 1.00 H new ATOM 0 HB3 CYS A 21 63.034 2.121 -10.937 1.00 1.00 H new ATOM 304 N THR A 22 63.170 6.341 -11.013 1.00 1.00 N ATOM 305 CA THR A 22 64.111 7.331 -11.615 1.00 1.00 C ATOM 306 C THR A 22 64.741 8.164 -10.491 1.00 1.00 C ATOM 307 O THR A 22 64.048 8.645 -9.616 1.00 1.00 O ATOM 308 CB THR A 22 63.340 8.256 -12.561 1.00 1.00 C ATOM 309 OG1 THR A 22 64.029 9.493 -12.676 1.00 1.00 O ATOM 310 CG2 THR A 22 61.936 8.501 -12.006 1.00 1.00 C ATOM 0 HA THR A 22 64.890 6.810 -12.173 1.00 1.00 H new ATOM 0 HB THR A 22 63.263 7.790 -13.543 1.00 1.00 H new ATOM 0 HG1 THR A 22 63.538 10.086 -13.282 1.00 1.00 H new ATOM 0 HG21 THR A 22 61.388 9.159 -12.680 1.00 1.00 H new ATOM 0 HG22 THR A 22 61.409 7.551 -11.918 1.00 1.00 H new ATOM 0 HG23 THR A 22 62.009 8.967 -11.023 1.00 1.00 H new ATOM 318 N PRO A 23 66.040 8.338 -10.504 1.00 1.00 N ATOM 319 CA PRO A 23 66.748 9.127 -9.459 1.00 1.00 C ATOM 320 C PRO A 23 65.971 10.385 -9.054 1.00 1.00 C ATOM 321 O PRO A 23 65.871 11.332 -9.808 1.00 1.00 O ATOM 322 CB PRO A 23 68.067 9.500 -10.134 1.00 1.00 C ATOM 323 CG PRO A 23 68.336 8.386 -11.093 1.00 1.00 C ATOM 324 CD PRO A 23 66.977 7.810 -11.510 1.00 1.00 C ATOM 0 HA PRO A 23 66.873 8.565 -8.534 1.00 1.00 H new ATOM 0 HB2 PRO A 23 67.990 10.456 -10.651 1.00 1.00 H new ATOM 0 HB3 PRO A 23 68.871 9.596 -9.404 1.00 1.00 H new ATOM 0 HG2 PRO A 23 68.883 8.750 -11.963 1.00 1.00 H new ATOM 0 HG3 PRO A 23 68.953 7.618 -10.627 1.00 1.00 H new ATOM 0 HD2 PRO A 23 66.702 8.126 -12.516 1.00 1.00 H new ATOM 0 HD3 PRO A 23 66.989 6.720 -11.511 1.00 1.00 H new ATOM 332 N ARG A 24 65.423 10.400 -7.870 1.00 1.00 N ATOM 333 CA ARG A 24 64.656 11.595 -7.418 1.00 1.00 C ATOM 334 C ARG A 24 65.561 12.829 -7.485 1.00 1.00 C ATOM 335 O ARG A 24 65.903 13.301 -8.551 1.00 1.00 O ATOM 336 CB ARG A 24 64.182 11.382 -5.976 1.00 1.00 C ATOM 337 CG ARG A 24 63.277 12.541 -5.554 1.00 1.00 C ATOM 338 CD ARG A 24 61.857 12.020 -5.319 1.00 1.00 C ATOM 339 NE ARG A 24 61.439 11.178 -6.474 1.00 1.00 N ATOM 340 CZ ARG A 24 60.395 10.402 -6.372 1.00 1.00 C ATOM 341 NH1 ARG A 24 59.716 10.365 -5.258 1.00 1.00 N ATOM 342 NH2 ARG A 24 60.029 9.664 -7.384 1.00 1.00 N ATOM 0 HA ARG A 24 63.790 11.742 -8.064 1.00 1.00 H new ATOM 0 HB2 ARG A 24 63.642 10.439 -5.896 1.00 1.00 H new ATOM 0 HB3 ARG A 24 65.040 11.316 -5.307 1.00 1.00 H new ATOM 0 HG2 ARG A 24 63.661 13.004 -4.645 1.00 1.00 H new ATOM 0 HG3 ARG A 24 63.270 13.311 -6.326 1.00 1.00 H new ATOM 0 HD2 ARG A 24 61.820 11.438 -4.398 1.00 1.00 H new ATOM 0 HD3 ARG A 24 61.168 12.855 -5.196 1.00 1.00 H new ATOM 0 HE ARG A 24 61.969 11.208 -7.345 1.00 1.00 H new ATOM 0 HH11 ARG A 24 60.001 10.943 -4.467 1.00 1.00 H new ATOM 0 HH12 ARG A 24 58.900 9.758 -5.178 1.00 1.00 H new ATOM 0 HH21 ARG A 24 60.559 9.694 -8.255 1.00 1.00 H new ATOM 0 HH22 ARG A 24 59.213 9.057 -7.304 1.00 1.00 H new ATOM 356 N LYS A 25 65.956 13.353 -6.357 1.00 1.00 N ATOM 357 CA LYS A 25 66.843 14.549 -6.367 1.00 1.00 C ATOM 358 C LYS A 25 68.048 14.273 -7.269 1.00 1.00 C ATOM 359 O LYS A 25 68.193 13.195 -7.810 1.00 1.00 O ATOM 360 CB LYS A 25 67.325 14.838 -4.944 1.00 1.00 C ATOM 361 CG LYS A 25 66.191 15.475 -4.138 1.00 1.00 C ATOM 362 CD LYS A 25 66.523 15.407 -2.646 1.00 1.00 C ATOM 363 CE LYS A 25 67.465 16.555 -2.280 1.00 1.00 C ATOM 364 NZ LYS A 25 68.399 16.109 -1.208 1.00 1.00 N ATOM 0 H LYS A 25 65.703 13.005 -5.432 1.00 1.00 H new ATOM 0 HA LYS A 25 66.293 15.411 -6.744 1.00 1.00 H new ATOM 0 HB2 LYS A 25 67.651 13.915 -4.465 1.00 1.00 H new ATOM 0 HB3 LYS A 25 68.186 15.505 -4.969 1.00 1.00 H new ATOM 0 HG2 LYS A 25 66.052 16.512 -4.443 1.00 1.00 H new ATOM 0 HG3 LYS A 25 65.253 14.956 -4.337 1.00 1.00 H new ATOM 0 HD2 LYS A 25 65.609 15.471 -2.056 1.00 1.00 H new ATOM 0 HD3 LYS A 25 66.989 14.451 -2.410 1.00 1.00 H new ATOM 0 HE2 LYS A 25 68.027 16.872 -3.158 1.00 1.00 H new ATOM 0 HE3 LYS A 25 66.890 17.417 -1.941 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 69.040 16.889 -0.959 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 67.854 15.827 -0.368 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 68.956 15.299 -1.548 1.00 1.00 H new ATOM 378 N GLY A 26 68.913 15.235 -7.438 1.00 1.00 N ATOM 379 CA GLY A 26 70.104 15.016 -8.307 1.00 1.00 C ATOM 380 C GLY A 26 71.198 14.302 -7.502 1.00 1.00 C ATOM 381 O GLY A 26 71.380 14.568 -6.331 1.00 1.00 O ATOM 0 H GLY A 26 68.847 16.160 -7.014 1.00 1.00 H new ATOM 0 HA2 GLY A 26 69.829 14.419 -9.176 1.00 1.00 H new ATOM 0 HA3 GLY A 26 70.476 15.970 -8.680 1.00 1.00 H new ATOM 385 N PRO A 27 71.927 13.405 -8.121 1.00 1.00 N ATOM 386 CA PRO A 27 73.020 12.654 -7.437 1.00 1.00 C ATOM 387 C PRO A 27 73.928 13.579 -6.608 1.00 1.00 C ATOM 388 O PRO A 27 74.493 14.519 -7.131 1.00 1.00 O ATOM 389 CB PRO A 27 73.810 12.036 -8.594 1.00 1.00 C ATOM 390 CG PRO A 27 72.824 11.892 -9.706 1.00 1.00 C ATOM 391 CD PRO A 27 71.791 13.009 -9.532 1.00 1.00 C ATOM 0 HA PRO A 27 72.629 11.921 -6.731 1.00 1.00 H new ATOM 0 HB2 PRO A 27 74.644 12.674 -8.887 1.00 1.00 H new ATOM 0 HB3 PRO A 27 74.231 11.071 -8.313 1.00 1.00 H new ATOM 0 HG2 PRO A 27 73.319 11.971 -10.674 1.00 1.00 H new ATOM 0 HG3 PRO A 27 72.344 10.914 -9.673 1.00 1.00 H new ATOM 0 HD2 PRO A 27 71.991 13.845 -10.202 1.00 1.00 H new ATOM 0 HD3 PRO A 27 70.783 12.658 -9.752 1.00 1.00 H new ATOM 399 N PRO A 28 74.075 13.321 -5.329 1.00 1.00 N ATOM 400 CA PRO A 28 74.937 14.156 -4.445 1.00 1.00 C ATOM 401 C PRO A 28 76.272 14.510 -5.110 1.00 1.00 C ATOM 402 O PRO A 28 76.911 13.678 -5.723 1.00 1.00 O ATOM 403 CB PRO A 28 75.159 13.266 -3.221 1.00 1.00 C ATOM 404 CG PRO A 28 73.943 12.401 -3.150 1.00 1.00 C ATOM 405 CD PRO A 28 73.444 12.216 -4.588 1.00 1.00 C ATOM 0 HA PRO A 28 74.476 15.115 -4.207 1.00 1.00 H new ATOM 0 HB2 PRO A 28 76.064 12.668 -3.326 1.00 1.00 H new ATOM 0 HB3 PRO A 28 75.274 13.861 -2.315 1.00 1.00 H new ATOM 0 HG2 PRO A 28 74.180 11.438 -2.696 1.00 1.00 H new ATOM 0 HG3 PRO A 28 73.175 12.865 -2.531 1.00 1.00 H new ATOM 0 HD2 PRO A 28 73.737 11.247 -4.991 1.00 1.00 H new ATOM 0 HD3 PRO A 28 72.357 12.268 -4.643 1.00 1.00 H new ATOM 413 N LYS A 29 76.694 15.740 -4.999 1.00 1.00 N ATOM 414 CA LYS A 29 77.983 16.146 -5.629 1.00 1.00 C ATOM 415 C LYS A 29 79.097 15.194 -5.187 1.00 1.00 C ATOM 416 O LYS A 29 79.066 14.644 -4.104 1.00 1.00 O ATOM 417 CB LYS A 29 78.332 17.575 -5.205 1.00 1.00 C ATOM 418 CG LYS A 29 78.260 17.689 -3.681 1.00 1.00 C ATOM 419 CD LYS A 29 78.906 19.002 -3.236 1.00 1.00 C ATOM 420 CE LYS A 29 78.776 19.146 -1.718 1.00 1.00 C ATOM 421 NZ LYS A 29 79.200 17.878 -1.061 1.00 1.00 N ATOM 0 H LYS A 29 76.202 16.481 -4.500 1.00 1.00 H new ATOM 0 HA LYS A 29 77.883 16.103 -6.714 1.00 1.00 H new ATOM 0 HB2 LYS A 29 79.332 17.834 -5.553 1.00 1.00 H new ATOM 0 HB3 LYS A 29 77.641 18.281 -5.666 1.00 1.00 H new ATOM 0 HG2 LYS A 29 77.222 17.652 -3.352 1.00 1.00 H new ATOM 0 HG3 LYS A 29 78.771 16.845 -3.218 1.00 1.00 H new ATOM 0 HD2 LYS A 29 79.957 19.019 -3.525 1.00 1.00 H new ATOM 0 HD3 LYS A 29 78.425 19.844 -3.734 1.00 1.00 H new ATOM 0 HE2 LYS A 29 79.392 19.974 -1.366 1.00 1.00 H new ATOM 0 HE3 LYS A 29 77.745 19.380 -1.451 1.00 1.00 H new ATOM 0 HZ1 LYS A 29 79.471 18.071 -0.076 1.00 1.00 H new ATOM 0 HZ2 LYS A 29 78.413 17.199 -1.077 1.00 1.00 H new ATOM 0 HZ3 LYS A 29 80.013 17.478 -1.571 1.00 1.00 H new ATOM 435 N CYS A 30 80.084 14.999 -6.020 1.00 1.00 N ATOM 436 CA CYS A 30 81.203 14.086 -5.654 1.00 1.00 C ATOM 437 C CYS A 30 82.341 14.249 -6.665 1.00 1.00 C ATOM 438 O CYS A 30 82.539 13.419 -7.530 1.00 1.00 O ATOM 439 CB CYS A 30 80.709 12.638 -5.669 1.00 1.00 C ATOM 440 SG CYS A 30 81.925 11.577 -4.849 1.00 1.00 S ATOM 0 H CYS A 30 80.163 15.434 -6.939 1.00 1.00 H new ATOM 0 HA CYS A 30 81.563 14.334 -4.656 1.00 1.00 H new ATOM 0 HB2 CYS A 30 79.747 12.566 -5.162 1.00 1.00 H new ATOM 0 HB3 CYS A 30 80.554 12.306 -6.696 1.00 1.00 H new ATOM 445 N LYS A 31 83.086 15.316 -6.566 1.00 1.00 N ATOM 446 CA LYS A 31 84.206 15.538 -7.524 1.00 1.00 C ATOM 447 C LYS A 31 85.276 14.459 -7.329 1.00 1.00 C ATOM 448 O LYS A 31 86.360 14.725 -6.849 1.00 1.00 O ATOM 449 CB LYS A 31 84.817 16.922 -7.277 1.00 1.00 C ATOM 450 CG LYS A 31 83.709 17.910 -6.905 1.00 1.00 C ATOM 451 CD LYS A 31 84.223 19.341 -7.073 1.00 1.00 C ATOM 452 CE LYS A 31 85.558 19.494 -6.342 1.00 1.00 C ATOM 453 NZ LYS A 31 86.665 19.036 -7.228 1.00 1.00 N ATOM 0 H LYS A 31 82.967 16.045 -5.862 1.00 1.00 H new ATOM 0 HA LYS A 31 83.827 15.484 -8.545 1.00 1.00 H new ATOM 0 HB2 LYS A 31 85.555 16.868 -6.476 1.00 1.00 H new ATOM 0 HB3 LYS A 31 85.340 17.265 -8.170 1.00 1.00 H new ATOM 0 HG2 LYS A 31 82.836 17.749 -7.538 1.00 1.00 H new ATOM 0 HG3 LYS A 31 83.391 17.745 -5.876 1.00 1.00 H new ATOM 0 HD2 LYS A 31 84.347 19.572 -8.131 1.00 1.00 H new ATOM 0 HD3 LYS A 31 83.496 20.049 -6.675 1.00 1.00 H new ATOM 0 HE2 LYS A 31 85.712 20.535 -6.058 1.00 1.00 H new ATOM 0 HE3 LYS A 31 85.550 18.911 -5.421 1.00 1.00 H new ATOM 0 HZ1 LYS A 31 87.410 19.761 -7.255 1.00 1.00 H new ATOM 0 HZ2 LYS A 31 87.060 18.147 -6.859 1.00 1.00 H new ATOM 0 HZ3 LYS A 31 86.299 18.880 -8.189 1.00 1.00 H new ATOM 467 N GLN A 32 84.982 13.241 -7.704 1.00 1.00 N ATOM 468 CA GLN A 32 85.982 12.145 -7.546 1.00 1.00 C ATOM 469 C GLN A 32 86.659 11.879 -8.894 1.00 1.00 C ATOM 470 O GLN A 32 87.089 12.791 -9.572 1.00 1.00 O ATOM 471 CB GLN A 32 85.272 10.874 -7.069 1.00 1.00 C ATOM 472 CG GLN A 32 86.294 9.919 -6.449 1.00 1.00 C ATOM 473 CD GLN A 32 86.728 10.452 -5.082 1.00 1.00 C ATOM 474 OE1 GLN A 32 85.970 10.414 -4.134 1.00 1.00 O ATOM 475 NE2 GLN A 32 87.925 10.951 -4.940 1.00 1.00 N ATOM 0 H GLN A 32 84.091 12.958 -8.113 1.00 1.00 H new ATOM 0 HA GLN A 32 86.734 12.437 -6.813 1.00 1.00 H new ATOM 0 HB2 GLN A 32 84.504 11.127 -6.338 1.00 1.00 H new ATOM 0 HB3 GLN A 32 84.768 10.391 -7.906 1.00 1.00 H new ATOM 0 HG2 GLN A 32 85.860 8.925 -6.342 1.00 1.00 H new ATOM 0 HG3 GLN A 32 87.160 9.821 -7.104 1.00 1.00 H new ATOM 0 HE21 GLN A 32 88.562 10.983 -5.736 1.00 1.00 H new ATOM 0 HE22 GLN A 32 88.224 11.309 -4.033 1.00 1.00 H new ATOM 484 N ARG A 33 86.754 10.638 -9.289 1.00 1.00 N ATOM 485 CA ARG A 33 87.399 10.317 -10.592 1.00 1.00 C ATOM 486 C ARG A 33 86.853 8.986 -11.113 1.00 1.00 C ATOM 487 O ARG A 33 85.967 8.950 -11.945 1.00 1.00 O ATOM 488 CB ARG A 33 88.917 10.221 -10.402 1.00 1.00 C ATOM 489 CG ARG A 33 89.613 10.334 -11.760 1.00 1.00 C ATOM 490 CD ARG A 33 90.217 11.732 -11.909 1.00 1.00 C ATOM 491 NE ARG A 33 89.241 12.749 -11.424 1.00 1.00 N ATOM 492 CZ ARG A 33 89.667 13.893 -10.962 1.00 1.00 C ATOM 493 NH1 ARG A 33 90.946 14.147 -10.926 1.00 1.00 N ATOM 494 NH2 ARG A 33 88.813 14.783 -10.537 1.00 1.00 N ATOM 0 H ARG A 33 86.412 9.833 -8.764 1.00 1.00 H new ATOM 0 HA ARG A 33 87.179 11.103 -11.314 1.00 1.00 H new ATOM 0 HB2 ARG A 33 89.261 11.014 -9.739 1.00 1.00 H new ATOM 0 HB3 ARG A 33 89.175 9.274 -9.928 1.00 1.00 H new ATOM 0 HG2 ARG A 33 90.394 9.578 -11.844 1.00 1.00 H new ATOM 0 HG3 ARG A 33 88.900 10.147 -12.563 1.00 1.00 H new ATOM 0 HD2 ARG A 33 91.144 11.802 -11.340 1.00 1.00 H new ATOM 0 HD3 ARG A 33 90.468 11.922 -12.952 1.00 1.00 H new ATOM 0 HE ARG A 33 88.241 12.551 -11.453 1.00 1.00 H new ATOM 0 HH11 ARG A 33 91.614 13.451 -11.259 1.00 1.00 H new ATOM 0 HH12 ARG A 33 91.278 15.041 -10.565 1.00 1.00 H new ATOM 0 HH21 ARG A 33 87.813 14.585 -10.566 1.00 1.00 H new ATOM 0 HH22 ARG A 33 89.145 15.677 -10.176 1.00 1.00 H new ATOM 508 N GLN A 34 87.371 7.892 -10.631 1.00 1.00 N ATOM 509 CA GLN A 34 86.877 6.566 -11.099 1.00 1.00 C ATOM 510 C GLN A 34 87.247 5.486 -10.071 1.00 1.00 C ATOM 511 O GLN A 34 87.982 4.563 -10.362 1.00 1.00 O ATOM 512 CB GLN A 34 87.507 6.239 -12.465 1.00 1.00 C ATOM 513 CG GLN A 34 86.407 6.139 -13.524 1.00 1.00 C ATOM 514 CD GLN A 34 85.611 4.849 -13.313 1.00 1.00 C ATOM 515 OE1 GLN A 34 85.410 4.412 -12.100 1.00 1.00 O flip ATOM 516 NE2 GLN A 34 85.167 4.234 -14.262 1.00 1.00 N flip ATOM 0 H GLN A 34 88.115 7.857 -9.934 1.00 1.00 H new ATOM 0 HA GLN A 34 85.793 6.594 -11.205 1.00 1.00 H new ATOM 0 HB2 GLN A 34 88.223 7.013 -12.741 1.00 1.00 H new ATOM 0 HB3 GLN A 34 88.058 5.300 -12.408 1.00 1.00 H new ATOM 0 HG2 GLN A 34 85.745 7.002 -13.458 1.00 1.00 H new ATOM 0 HG3 GLN A 34 86.846 6.149 -14.522 1.00 1.00 H new ATOM 0 HE21 GLN A 34 85.324 4.576 -15.210 1.00 1.00 H new ATOM 0 HE22 GLN A 34 84.637 3.376 -14.111 1.00 1.00 H new ATOM 525 N THR A 35 86.731 5.597 -8.873 1.00 1.00 N ATOM 526 CA THR A 35 87.030 4.583 -7.812 1.00 1.00 C ATOM 527 C THR A 35 88.418 3.971 -8.029 1.00 1.00 C ATOM 528 O THR A 35 88.560 2.947 -8.668 1.00 1.00 O ATOM 529 CB THR A 35 85.972 3.472 -7.853 1.00 1.00 C ATOM 530 OG1 THR A 35 86.549 2.255 -7.402 1.00 1.00 O ATOM 531 CG2 THR A 35 85.466 3.299 -9.286 1.00 1.00 C ATOM 0 H THR A 35 86.110 6.352 -8.581 1.00 1.00 H new ATOM 0 HA THR A 35 87.011 5.077 -6.841 1.00 1.00 H new ATOM 0 HB THR A 35 85.137 3.741 -7.206 1.00 1.00 H new ATOM 0 HG1 THR A 35 87.206 1.942 -8.058 1.00 1.00 H new ATOM 0 HG21 THR A 35 84.715 2.510 -9.314 1.00 1.00 H new ATOM 0 HG22 THR A 35 85.023 4.234 -9.631 1.00 1.00 H new ATOM 0 HG23 THR A 35 86.299 3.030 -9.936 1.00 1.00 H new ATOM 539 N ARG A 36 89.442 4.586 -7.502 1.00 1.00 N ATOM 540 CA ARG A 36 90.814 4.031 -7.682 1.00 1.00 C ATOM 541 C ARG A 36 91.811 4.836 -6.845 1.00 1.00 C ATOM 542 O ARG A 36 93.005 4.616 -6.909 1.00 1.00 O ATOM 543 CB ARG A 36 91.211 4.096 -9.164 1.00 1.00 C ATOM 544 CG ARG A 36 90.967 5.507 -9.704 1.00 1.00 C ATOM 545 CD ARG A 36 92.207 6.369 -9.459 1.00 1.00 C ATOM 546 NE ARG A 36 92.813 6.750 -10.765 1.00 1.00 N ATOM 547 CZ ARG A 36 94.027 7.228 -10.807 1.00 1.00 C ATOM 548 NH1 ARG A 36 94.709 7.372 -9.704 1.00 1.00 N ATOM 549 NH2 ARG A 36 94.558 7.562 -11.951 1.00 1.00 N ATOM 0 H ARG A 36 89.388 5.446 -6.956 1.00 1.00 H new ATOM 0 HA ARG A 36 90.825 2.992 -7.353 1.00 1.00 H new ATOM 0 HB2 ARG A 36 92.261 3.828 -9.281 1.00 1.00 H new ATOM 0 HB3 ARG A 36 90.632 3.372 -9.737 1.00 1.00 H new ATOM 0 HG2 ARG A 36 90.744 5.466 -10.770 1.00 1.00 H new ATOM 0 HG3 ARG A 36 90.100 5.950 -9.214 1.00 1.00 H new ATOM 0 HD2 ARG A 36 91.936 7.263 -8.897 1.00 1.00 H new ATOM 0 HD3 ARG A 36 92.931 5.821 -8.856 1.00 1.00 H new ATOM 0 HE ARG A 36 92.279 6.637 -11.627 1.00 1.00 H new ATOM 0 HH11 ARG A 36 94.294 7.111 -8.810 1.00 1.00 H new ATOM 0 HH12 ARG A 36 95.658 7.745 -9.736 1.00 1.00 H new ATOM 0 HH21 ARG A 36 94.024 7.450 -12.813 1.00 1.00 H new ATOM 0 HH22 ARG A 36 95.507 7.935 -11.983 1.00 1.00 H new ATOM 563 N GLN A 37 91.333 5.766 -6.060 1.00 1.00 N ATOM 564 CA GLN A 37 92.254 6.587 -5.217 1.00 1.00 C ATOM 565 C GLN A 37 92.004 6.283 -3.737 1.00 1.00 C ATOM 566 O GLN A 37 92.360 7.053 -2.867 1.00 1.00 O ATOM 567 CB GLN A 37 91.995 8.074 -5.487 1.00 1.00 C ATOM 568 CG GLN A 37 93.234 8.886 -5.106 1.00 1.00 C ATOM 569 CD GLN A 37 94.296 8.742 -6.198 1.00 1.00 C ATOM 570 OE1 GLN A 37 94.014 8.933 -7.365 1.00 1.00 O ATOM 571 NE2 GLN A 37 95.514 8.410 -5.868 1.00 1.00 N ATOM 0 H GLN A 37 90.343 5.993 -5.966 1.00 1.00 H new ATOM 0 HA GLN A 37 93.288 6.345 -5.464 1.00 1.00 H new ATOM 0 HB2 GLN A 37 91.757 8.227 -6.540 1.00 1.00 H new ATOM 0 HB3 GLN A 37 91.134 8.414 -4.912 1.00 1.00 H new ATOM 0 HG2 GLN A 37 92.969 9.935 -4.978 1.00 1.00 H new ATOM 0 HG3 GLN A 37 93.630 8.539 -4.151 1.00 1.00 H new ATOM 0 HE21 GLN A 37 95.751 8.250 -4.889 1.00 1.00 H new ATOM 0 HE22 GLN A 37 96.229 8.311 -6.589 1.00 1.00 H new ATOM 580 N CYS A 38 91.395 5.165 -3.443 1.00 1.00 N ATOM 581 CA CYS A 38 91.124 4.814 -2.019 1.00 1.00 C ATOM 582 C CYS A 38 92.248 3.919 -1.491 1.00 1.00 C ATOM 583 O CYS A 38 92.656 4.027 -0.351 1.00 1.00 O ATOM 584 CB CYS A 38 89.793 4.066 -1.921 1.00 1.00 C ATOM 585 SG CYS A 38 88.439 5.177 -2.379 1.00 1.00 S ATOM 0 H CYS A 38 91.074 4.480 -4.127 1.00 1.00 H new ATOM 0 HA CYS A 38 91.074 5.726 -1.425 1.00 1.00 H new ATOM 0 HB2 CYS A 38 89.803 3.197 -2.579 1.00 1.00 H new ATOM 0 HB3 CYS A 38 89.646 3.696 -0.906 1.00 1.00 H new ATOM 590 N LYS A 39 92.750 3.036 -2.310 1.00 1.00 N ATOM 591 CA LYS A 39 93.845 2.133 -1.858 1.00 1.00 C ATOM 592 C LYS A 39 93.427 1.416 -0.570 1.00 1.00 C ATOM 593 O LYS A 39 92.926 0.309 -0.603 1.00 1.00 O ATOM 594 CB LYS A 39 95.112 2.957 -1.608 1.00 1.00 C ATOM 595 CG LYS A 39 96.311 2.022 -1.435 1.00 1.00 C ATOM 596 CD LYS A 39 96.748 1.493 -2.802 1.00 1.00 C ATOM 597 CE LYS A 39 97.164 2.665 -3.694 1.00 1.00 C ATOM 598 NZ LYS A 39 96.030 3.036 -4.586 1.00 1.00 N ATOM 0 H LYS A 39 92.448 2.901 -3.275 1.00 1.00 H new ATOM 0 HA LYS A 39 94.044 1.389 -2.629 1.00 1.00 H new ATOM 0 HB2 LYS A 39 95.286 3.636 -2.443 1.00 1.00 H new ATOM 0 HB3 LYS A 39 94.987 3.572 -0.717 1.00 1.00 H new ATOM 0 HG2 LYS A 39 97.135 2.554 -0.959 1.00 1.00 H new ATOM 0 HG3 LYS A 39 96.047 1.192 -0.780 1.00 1.00 H new ATOM 0 HD2 LYS A 39 97.579 0.798 -2.686 1.00 1.00 H new ATOM 0 HD3 LYS A 39 95.932 0.940 -3.267 1.00 1.00 H new ATOM 0 HE2 LYS A 39 97.453 3.518 -3.080 1.00 1.00 H new ATOM 0 HE3 LYS A 39 98.035 2.392 -4.290 1.00 1.00 H new ATOM 0 HZ1 LYS A 39 96.244 2.742 -5.560 1.00 1.00 H new ATOM 0 HZ2 LYS A 39 95.164 2.559 -4.263 1.00 1.00 H new ATOM 0 HZ3 LYS A 39 95.889 4.066 -4.558 1.00 1.00 H new ATOM 612 N SER A 40 93.628 2.032 0.564 1.00 1.00 N ATOM 613 CA SER A 40 93.239 1.375 1.844 1.00 1.00 C ATOM 614 C SER A 40 93.127 2.428 2.948 1.00 1.00 C ATOM 615 O SER A 40 93.358 3.600 2.726 1.00 1.00 O ATOM 616 CB SER A 40 94.302 0.345 2.231 1.00 1.00 C ATOM 617 OG SER A 40 94.276 -0.729 1.301 1.00 1.00 O ATOM 0 H SER A 40 94.043 2.959 0.659 1.00 1.00 H new ATOM 0 HA SER A 40 92.277 0.878 1.718 1.00 1.00 H new ATOM 0 HB2 SER A 40 95.288 0.809 2.240 1.00 1.00 H new ATOM 0 HB3 SER A 40 94.115 -0.027 3.238 1.00 1.00 H new ATOM 0 HG SER A 40 93.509 -0.623 0.700 1.00 1.00 H new ATOM 623 N LYS A 41 92.773 2.018 4.138 1.00 1.00 N ATOM 624 CA LYS A 41 92.642 2.990 5.264 1.00 1.00 C ATOM 625 C LYS A 41 93.238 2.371 6.534 1.00 1.00 C ATOM 626 O LYS A 41 93.664 1.233 6.532 1.00 1.00 O ATOM 627 CB LYS A 41 91.156 3.317 5.496 1.00 1.00 C ATOM 628 CG LYS A 41 90.319 2.731 4.357 1.00 1.00 C ATOM 629 CD LYS A 41 88.835 2.967 4.640 1.00 1.00 C ATOM 630 CE LYS A 41 88.406 4.305 4.034 1.00 1.00 C ATOM 631 NZ LYS A 41 89.054 5.419 4.782 1.00 1.00 N ATOM 0 H LYS A 41 92.568 1.048 4.379 1.00 1.00 H new ATOM 0 HA LYS A 41 93.175 3.908 5.019 1.00 1.00 H new ATOM 0 HB2 LYS A 41 90.827 2.907 6.451 1.00 1.00 H new ATOM 0 HB3 LYS A 41 91.014 4.397 5.547 1.00 1.00 H new ATOM 0 HG2 LYS A 41 90.598 3.195 3.411 1.00 1.00 H new ATOM 0 HG3 LYS A 41 90.516 1.663 4.259 1.00 1.00 H new ATOM 0 HD2 LYS A 41 88.240 2.157 4.218 1.00 1.00 H new ATOM 0 HD3 LYS A 41 88.655 2.968 5.715 1.00 1.00 H new ATOM 0 HE2 LYS A 41 88.688 4.347 2.982 1.00 1.00 H new ATOM 0 HE3 LYS A 41 87.322 4.405 4.078 1.00 1.00 H new ATOM 0 HZ1 LYS A 41 88.481 6.282 4.685 1.00 1.00 H new ATOM 0 HZ2 LYS A 41 89.129 5.165 5.788 1.00 1.00 H new ATOM 0 HZ3 LYS A 41 90.005 5.589 4.396 1.00 1.00 H new ATOM 645 N PRO A 42 93.261 3.112 7.612 1.00 1.00 N ATOM 646 CA PRO A 42 93.807 2.621 8.912 1.00 1.00 C ATOM 647 C PRO A 42 93.009 1.422 9.443 1.00 1.00 C ATOM 648 O PRO A 42 91.885 1.195 9.041 1.00 1.00 O ATOM 649 CB PRO A 42 93.670 3.825 9.862 1.00 1.00 C ATOM 650 CG PRO A 42 93.435 5.013 8.987 1.00 1.00 C ATOM 651 CD PRO A 42 92.775 4.495 7.710 1.00 1.00 C ATOM 0 HA PRO A 42 94.835 2.273 8.815 1.00 1.00 H new ATOM 0 HB2 PRO A 42 92.842 3.682 10.557 1.00 1.00 H new ATOM 0 HB3 PRO A 42 94.571 3.954 10.462 1.00 1.00 H new ATOM 0 HG2 PRO A 42 92.794 5.740 9.486 1.00 1.00 H new ATOM 0 HG3 PRO A 42 94.374 5.518 8.760 1.00 1.00 H new ATOM 0 HD2 PRO A 42 91.688 4.535 7.775 1.00 1.00 H new ATOM 0 HD3 PRO A 42 93.064 5.085 6.840 1.00 1.00 H new ATOM 659 N PRO A 43 93.582 0.664 10.340 1.00 1.00 N ATOM 660 CA PRO A 43 92.905 -0.528 10.931 1.00 1.00 C ATOM 661 C PRO A 43 91.660 -0.133 11.733 1.00 1.00 C ATOM 662 O PRO A 43 91.724 0.677 12.636 1.00 1.00 O ATOM 663 CB PRO A 43 93.970 -1.151 11.845 1.00 1.00 C ATOM 664 CG PRO A 43 94.959 -0.064 12.110 1.00 1.00 C ATOM 665 CD PRO A 43 94.931 0.860 10.891 1.00 1.00 C ATOM 0 HA PRO A 43 92.550 -1.218 10.165 1.00 1.00 H new ATOM 0 HB2 PRO A 43 93.527 -1.512 12.773 1.00 1.00 H new ATOM 0 HB3 PRO A 43 94.447 -2.006 11.365 1.00 1.00 H new ATOM 0 HG2 PRO A 43 94.700 0.483 13.017 1.00 1.00 H new ATOM 0 HG3 PRO A 43 95.957 -0.476 12.261 1.00 1.00 H new ATOM 0 HD2 PRO A 43 95.102 1.899 11.172 1.00 1.00 H new ATOM 0 HD3 PRO A 43 95.702 0.594 10.168 1.00 1.00 H new ATOM 673 N LYS A 44 90.527 -0.693 11.400 1.00 1.00 N ATOM 674 CA LYS A 44 89.273 -0.346 12.132 1.00 1.00 C ATOM 675 C LYS A 44 88.463 -1.619 12.392 1.00 1.00 C ATOM 676 O LYS A 44 87.256 -1.630 12.263 1.00 1.00 O ATOM 677 CB LYS A 44 88.442 0.615 11.276 1.00 1.00 C ATOM 678 CG LYS A 44 87.378 1.287 12.145 1.00 1.00 C ATOM 679 CD LYS A 44 86.172 1.661 11.280 1.00 1.00 C ATOM 680 CE LYS A 44 86.638 2.506 10.092 1.00 1.00 C ATOM 681 NZ LYS A 44 87.641 3.505 10.557 1.00 1.00 N ATOM 0 H LYS A 44 90.416 -1.377 10.651 1.00 1.00 H new ATOM 0 HA LYS A 44 89.523 0.126 13.082 1.00 1.00 H new ATOM 0 HB2 LYS A 44 89.088 1.369 10.826 1.00 1.00 H new ATOM 0 HB3 LYS A 44 87.968 0.072 10.458 1.00 1.00 H new ATOM 0 HG2 LYS A 44 87.070 0.615 12.946 1.00 1.00 H new ATOM 0 HG3 LYS A 44 87.790 2.178 12.618 1.00 1.00 H new ATOM 0 HD2 LYS A 44 85.672 0.760 10.925 1.00 1.00 H new ATOM 0 HD3 LYS A 44 85.445 2.217 11.872 1.00 1.00 H new ATOM 0 HE2 LYS A 44 87.075 1.866 9.326 1.00 1.00 H new ATOM 0 HE3 LYS A 44 85.787 3.013 9.637 1.00 1.00 H new ATOM 0 HZ1 LYS A 44 87.610 4.341 9.939 1.00 1.00 H new ATOM 0 HZ2 LYS A 44 87.422 3.788 11.534 1.00 1.00 H new ATOM 0 HZ3 LYS A 44 88.591 3.084 10.523 1.00 1.00 H new ATOM 695 N LYS A 45 89.117 -2.690 12.754 1.00 1.00 N ATOM 696 CA LYS A 45 88.383 -3.961 13.017 1.00 1.00 C ATOM 697 C LYS A 45 87.576 -4.348 11.774 1.00 1.00 C ATOM 698 O LYS A 45 87.974 -5.201 11.006 1.00 1.00 O ATOM 699 CB LYS A 45 87.434 -3.774 14.206 1.00 1.00 C ATOM 700 CG LYS A 45 86.923 -5.139 14.673 1.00 1.00 C ATOM 701 CD LYS A 45 85.582 -4.965 15.388 1.00 1.00 C ATOM 702 CE LYS A 45 85.729 -3.933 16.507 1.00 1.00 C ATOM 703 NZ LYS A 45 85.478 -2.569 15.962 1.00 1.00 N ATOM 0 H LYS A 45 90.128 -2.739 12.879 1.00 1.00 H new ATOM 0 HA LYS A 45 89.098 -4.750 13.249 1.00 1.00 H new ATOM 0 HB2 LYS A 45 87.952 -3.269 15.022 1.00 1.00 H new ATOM 0 HB3 LYS A 45 86.596 -3.139 13.919 1.00 1.00 H new ATOM 0 HG2 LYS A 45 86.808 -5.807 13.820 1.00 1.00 H new ATOM 0 HG3 LYS A 45 87.648 -5.600 15.344 1.00 1.00 H new ATOM 0 HD2 LYS A 45 84.819 -4.642 14.679 1.00 1.00 H new ATOM 0 HD3 LYS A 45 85.251 -5.919 15.800 1.00 1.00 H new ATOM 0 HE2 LYS A 45 85.026 -4.150 17.311 1.00 1.00 H new ATOM 0 HE3 LYS A 45 86.730 -3.986 16.936 1.00 1.00 H new ATOM 0 HZ1 LYS A 45 84.899 -2.027 16.635 1.00 1.00 H new ATOM 0 HZ2 LYS A 45 86.385 -2.082 15.814 1.00 1.00 H new ATOM 0 HZ3 LYS A 45 84.974 -2.645 15.055 1.00 1.00 H new ATOM 717 N GLY A 46 86.448 -3.724 11.568 1.00 1.00 N ATOM 718 CA GLY A 46 85.619 -4.053 10.374 1.00 1.00 C ATOM 719 C GLY A 46 85.391 -5.563 10.305 1.00 1.00 C ATOM 720 O GLY A 46 84.433 -6.080 10.844 1.00 1.00 O ATOM 0 H GLY A 46 86.065 -3.000 12.176 1.00 1.00 H new ATOM 0 HA2 GLY A 46 84.662 -3.533 10.429 1.00 1.00 H new ATOM 0 HA3 GLY A 46 86.117 -3.709 9.468 1.00 1.00 H new ATOM 724 N VAL A 47 86.262 -6.274 9.644 1.00 1.00 N ATOM 725 CA VAL A 47 86.093 -7.752 9.537 1.00 1.00 C ATOM 726 C VAL A 47 87.466 -8.412 9.407 1.00 1.00 C ATOM 727 O VAL A 47 88.008 -8.935 10.361 1.00 1.00 O ATOM 728 CB VAL A 47 85.253 -8.079 8.302 1.00 1.00 C ATOM 729 CG1 VAL A 47 85.159 -9.597 8.135 1.00 1.00 C ATOM 730 CG2 VAL A 47 83.848 -7.499 8.475 1.00 1.00 C ATOM 0 H VAL A 47 87.084 -5.896 9.173 1.00 1.00 H new ATOM 0 HA VAL A 47 85.591 -8.127 10.429 1.00 1.00 H new ATOM 0 HB VAL A 47 85.721 -7.645 7.419 1.00 1.00 H new ATOM 0 HG11 VAL A 47 84.560 -9.830 7.255 1.00 1.00 H new ATOM 0 HG12 VAL A 47 86.159 -10.012 8.014 1.00 1.00 H new ATOM 0 HG13 VAL A 47 84.690 -10.032 9.018 1.00 1.00 H new ATOM 0 HG21 VAL A 47 83.248 -7.731 7.595 1.00 1.00 H new ATOM 0 HG22 VAL A 47 83.381 -7.934 9.358 1.00 1.00 H new ATOM 0 HG23 VAL A 47 83.913 -6.418 8.595 1.00 1.00 H new ATOM 740 N GLN A 48 88.033 -8.391 8.233 1.00 1.00 N ATOM 741 CA GLN A 48 89.371 -9.017 8.039 1.00 1.00 C ATOM 742 C GLN A 48 89.884 -8.686 6.636 1.00 1.00 C ATOM 743 O GLN A 48 90.521 -9.494 5.989 1.00 1.00 O ATOM 744 CB GLN A 48 89.250 -10.538 8.202 1.00 1.00 C ATOM 745 CG GLN A 48 90.581 -11.108 8.698 1.00 1.00 C ATOM 746 CD GLN A 48 90.714 -10.860 10.201 1.00 1.00 C ATOM 747 OE1 GLN A 48 91.137 -9.700 10.624 1.00 1.00 O flip ATOM 748 NE2 GLN A 48 90.431 -11.731 11.000 1.00 1.00 N flip ATOM 0 H GLN A 48 87.627 -7.967 7.399 1.00 1.00 H new ATOM 0 HA GLN A 48 90.070 -8.630 8.781 1.00 1.00 H new ATOM 0 HB2 GLN A 48 88.455 -10.776 8.908 1.00 1.00 H new ATOM 0 HB3 GLN A 48 88.979 -10.996 7.251 1.00 1.00 H new ATOM 0 HG2 GLN A 48 90.631 -12.177 8.489 1.00 1.00 H new ATOM 0 HG3 GLN A 48 91.410 -10.640 8.167 1.00 1.00 H new ATOM 0 HE21 GLN A 48 90.100 -12.638 10.670 1.00 1.00 H new ATOM 0 HE22 GLN A 48 90.524 -11.555 12.000 1.00 1.00 H new ATOM 757 N GLY A 49 89.608 -7.502 6.159 1.00 1.00 N ATOM 758 CA GLY A 49 90.075 -7.116 4.797 1.00 1.00 C ATOM 759 C GLY A 49 89.047 -7.571 3.760 1.00 1.00 C ATOM 760 O GLY A 49 88.034 -8.153 4.092 1.00 1.00 O ATOM 0 H GLY A 49 89.079 -6.785 6.655 1.00 1.00 H new ATOM 0 HA2 GLY A 49 90.212 -6.036 4.740 1.00 1.00 H new ATOM 0 HA3 GLY A 49 91.043 -7.572 4.590 1.00 1.00 H new ATOM 764 N CYS A 50 89.300 -7.312 2.504 1.00 1.00 N ATOM 765 CA CYS A 50 88.338 -7.731 1.444 1.00 1.00 C ATOM 766 C CYS A 50 89.112 -8.262 0.236 1.00 1.00 C ATOM 767 O CYS A 50 90.111 -8.940 0.376 1.00 1.00 O ATOM 768 CB CYS A 50 87.491 -6.529 1.019 1.00 1.00 C ATOM 769 SG CYS A 50 85.993 -7.111 0.186 1.00 1.00 S ATOM 0 H CYS A 50 90.132 -6.828 2.167 1.00 1.00 H new ATOM 0 HA CYS A 50 87.687 -8.514 1.832 1.00 1.00 H new ATOM 0 HB2 CYS A 50 87.226 -5.931 1.891 1.00 1.00 H new ATOM 0 HB3 CYS A 50 88.064 -5.884 0.352 1.00 1.00 H new ATOM 774 N GLY A 51 88.659 -7.962 -0.952 1.00 1.00 N ATOM 775 CA GLY A 51 89.368 -8.452 -2.169 1.00 1.00 C ATOM 776 C GLY A 51 89.228 -7.424 -3.294 1.00 1.00 C ATOM 777 O GLY A 51 89.272 -7.759 -4.460 1.00 1.00 O ATOM 0 H GLY A 51 87.828 -7.398 -1.132 1.00 1.00 H new ATOM 0 HA2 GLY A 51 90.422 -8.620 -1.945 1.00 1.00 H new ATOM 0 HA3 GLY A 51 88.952 -9.409 -2.484 1.00 1.00 H new ATOM 781 N ASP A 52 89.063 -6.174 -2.950 1.00 1.00 N ATOM 782 CA ASP A 52 88.922 -5.118 -3.996 1.00 1.00 C ATOM 783 C ASP A 52 87.794 -5.492 -4.963 1.00 1.00 C ATOM 784 O ASP A 52 87.916 -6.406 -5.753 1.00 1.00 O ATOM 785 CB ASP A 52 90.236 -4.983 -4.768 1.00 1.00 C ATOM 786 CG ASP A 52 91.298 -4.357 -3.862 1.00 1.00 C ATOM 787 OD1 ASP A 52 90.996 -4.123 -2.703 1.00 1.00 O ATOM 788 OD2 ASP A 52 92.394 -4.121 -4.343 1.00 1.00 O ATOM 0 H ASP A 52 89.020 -5.838 -1.988 1.00 1.00 H new ATOM 0 HA ASP A 52 88.683 -4.168 -3.517 1.00 1.00 H new ATOM 0 HB2 ASP A 52 90.569 -5.961 -5.114 1.00 1.00 H new ATOM 0 HB3 ASP A 52 90.088 -4.365 -5.654 1.00 1.00 H new ATOM 793 N ASP A 53 86.696 -4.787 -4.907 1.00 1.00 N ATOM 794 CA ASP A 53 85.561 -5.099 -5.822 1.00 1.00 C ATOM 795 C ASP A 53 86.023 -4.972 -7.276 1.00 1.00 C ATOM 796 O ASP A 53 87.176 -4.707 -7.551 1.00 1.00 O ATOM 797 CB ASP A 53 84.415 -4.118 -5.564 1.00 1.00 C ATOM 798 CG ASP A 53 83.911 -4.287 -4.129 1.00 1.00 C ATOM 799 OD1 ASP A 53 83.195 -5.243 -3.883 1.00 1.00 O ATOM 800 OD2 ASP A 53 84.250 -3.457 -3.302 1.00 1.00 O ATOM 0 H ASP A 53 86.536 -4.009 -4.267 1.00 1.00 H new ATOM 0 HA ASP A 53 85.218 -6.117 -5.639 1.00 1.00 H new ATOM 0 HB2 ASP A 53 84.755 -3.095 -5.723 1.00 1.00 H new ATOM 0 HB3 ASP A 53 83.603 -4.297 -6.269 1.00 1.00 H new ATOM 805 N ILE A 54 85.130 -5.162 -8.211 1.00 1.00 N ATOM 806 CA ILE A 54 85.519 -5.054 -9.647 1.00 1.00 C ATOM 807 C ILE A 54 85.677 -3.572 -10.016 1.00 1.00 C ATOM 808 O ILE A 54 84.966 -2.726 -9.511 1.00 1.00 O ATOM 809 CB ILE A 54 84.431 -5.690 -10.534 1.00 1.00 C ATOM 810 CG1 ILE A 54 83.140 -5.841 -9.726 1.00 1.00 C ATOM 811 CG2 ILE A 54 84.898 -7.068 -11.008 1.00 1.00 C ATOM 812 CD1 ILE A 54 83.252 -7.060 -8.808 1.00 1.00 C ATOM 0 H ILE A 54 84.150 -5.387 -8.042 1.00 1.00 H new ATOM 0 HA ILE A 54 86.461 -5.578 -9.807 1.00 1.00 H new ATOM 0 HB ILE A 54 84.248 -5.051 -11.398 1.00 1.00 H new ATOM 0 HG12 ILE A 54 82.961 -4.943 -9.135 1.00 1.00 H new ATOM 0 HG13 ILE A 54 82.289 -5.955 -10.398 1.00 1.00 H new ATOM 0 HG21 ILE A 54 84.128 -7.517 -11.635 1.00 1.00 H new ATOM 0 HG22 ILE A 54 85.818 -6.963 -11.583 1.00 1.00 H new ATOM 0 HG23 ILE A 54 85.081 -7.707 -10.144 1.00 1.00 H new ATOM 0 HD11 ILE A 54 82.333 -7.168 -8.232 1.00 1.00 H new ATOM 0 HD12 ILE A 54 83.411 -7.955 -9.409 1.00 1.00 H new ATOM 0 HD13 ILE A 54 84.093 -6.927 -8.127 1.00 1.00 H new ATOM 824 N PRO A 55 86.597 -3.258 -10.896 1.00 1.00 N ATOM 825 CA PRO A 55 86.837 -1.854 -11.339 1.00 1.00 C ATOM 826 C PRO A 55 85.757 -1.364 -12.310 1.00 1.00 C ATOM 827 O PRO A 55 86.031 -1.038 -13.448 1.00 1.00 O ATOM 828 CB PRO A 55 88.199 -1.929 -12.034 1.00 1.00 C ATOM 829 CG PRO A 55 88.288 -3.327 -12.549 1.00 1.00 C ATOM 830 CD PRO A 55 87.505 -4.203 -11.566 1.00 1.00 C ATOM 0 HA PRO A 55 86.812 -1.149 -10.508 1.00 1.00 H new ATOM 0 HB2 PRO A 55 88.270 -1.204 -12.845 1.00 1.00 H new ATOM 0 HB3 PRO A 55 89.010 -1.711 -11.339 1.00 1.00 H new ATOM 0 HG2 PRO A 55 87.868 -3.398 -13.552 1.00 1.00 H new ATOM 0 HG3 PRO A 55 89.327 -3.651 -12.615 1.00 1.00 H new ATOM 0 HD2 PRO A 55 86.954 -4.989 -12.083 1.00 1.00 H new ATOM 0 HD3 PRO A 55 88.167 -4.694 -10.853 1.00 1.00 H new ATOM 838 N GLY A 56 84.532 -1.311 -11.868 1.00 1.00 N ATOM 839 CA GLY A 56 83.437 -0.844 -12.764 1.00 1.00 C ATOM 840 C GLY A 56 82.090 -1.045 -12.070 1.00 1.00 C ATOM 841 O GLY A 56 81.629 -0.198 -11.332 1.00 1.00 O ATOM 0 H GLY A 56 84.241 -1.571 -10.925 1.00 1.00 H new ATOM 0 HA2 GLY A 56 83.578 0.208 -13.010 1.00 1.00 H new ATOM 0 HA3 GLY A 56 83.460 -1.397 -13.703 1.00 1.00 H new ATOM 845 N MET A 57 81.456 -2.162 -12.302 1.00 1.00 N ATOM 846 CA MET A 57 80.137 -2.425 -11.656 1.00 1.00 C ATOM 847 C MET A 57 79.545 -3.718 -12.230 1.00 1.00 C ATOM 848 O MET A 57 78.790 -3.699 -13.182 1.00 1.00 O ATOM 849 CB MET A 57 79.181 -1.246 -11.922 1.00 1.00 C ATOM 850 CG MET A 57 78.838 -0.558 -10.599 1.00 1.00 C ATOM 851 SD MET A 57 78.050 1.037 -10.935 1.00 1.00 S ATOM 852 CE MET A 57 79.208 2.064 -9.997 1.00 1.00 C ATOM 0 H MET A 57 81.795 -2.906 -12.912 1.00 1.00 H new ATOM 0 HA MET A 57 80.271 -2.533 -10.580 1.00 1.00 H new ATOM 0 HB2 MET A 57 79.646 -0.534 -12.604 1.00 1.00 H new ATOM 0 HB3 MET A 57 78.271 -1.603 -12.405 1.00 1.00 H new ATOM 0 HG2 MET A 57 78.171 -1.189 -10.011 1.00 1.00 H new ATOM 0 HG3 MET A 57 79.742 -0.412 -10.008 1.00 1.00 H new ATOM 0 HE1 MET A 57 78.907 3.109 -10.068 1.00 1.00 H new ATOM 0 HE2 MET A 57 79.204 1.755 -8.952 1.00 1.00 H new ATOM 0 HE3 MET A 57 80.212 1.947 -10.406 1.00 1.00 H new ATOM 862 N GLU A 58 79.883 -4.840 -11.653 1.00 1.00 N ATOM 863 CA GLU A 58 79.345 -6.139 -12.153 1.00 1.00 C ATOM 864 C GLU A 58 78.914 -6.992 -10.960 1.00 1.00 C ATOM 865 O GLU A 58 77.933 -7.707 -11.015 1.00 1.00 O ATOM 866 CB GLU A 58 80.431 -6.873 -12.944 1.00 1.00 C ATOM 867 CG GLU A 58 79.793 -7.991 -13.771 1.00 1.00 C ATOM 868 CD GLU A 58 79.038 -7.384 -14.955 1.00 1.00 C ATOM 869 OE1 GLU A 58 79.662 -7.167 -15.981 1.00 1.00 O ATOM 870 OE2 GLU A 58 77.850 -7.146 -14.816 1.00 1.00 O ATOM 0 H GLU A 58 80.512 -4.913 -10.853 1.00 1.00 H new ATOM 0 HA GLU A 58 78.489 -5.958 -12.803 1.00 1.00 H new ATOM 0 HB2 GLU A 58 80.954 -6.175 -13.598 1.00 1.00 H new ATOM 0 HB3 GLU A 58 81.174 -7.289 -12.263 1.00 1.00 H new ATOM 0 HG2 GLU A 58 80.561 -8.676 -14.129 1.00 1.00 H new ATOM 0 HG3 GLU A 58 79.111 -8.572 -13.151 1.00 1.00 H new ATOM 877 N GLY A 59 79.638 -6.916 -9.876 1.00 1.00 N ATOM 878 CA GLY A 59 79.269 -7.715 -8.673 1.00 1.00 C ATOM 879 C GLY A 59 78.261 -6.926 -7.837 1.00 1.00 C ATOM 880 O GLY A 59 77.847 -7.352 -6.777 1.00 1.00 O ATOM 0 H GLY A 59 80.470 -6.335 -9.772 1.00 1.00 H new ATOM 0 HA2 GLY A 59 78.841 -8.671 -8.974 1.00 1.00 H new ATOM 0 HA3 GLY A 59 80.157 -7.935 -8.081 1.00 1.00 H new ATOM 884 N CYS A 60 77.861 -5.775 -8.310 1.00 1.00 N ATOM 885 CA CYS A 60 76.877 -4.951 -7.552 1.00 1.00 C ATOM 886 C CYS A 60 75.943 -4.242 -8.535 1.00 1.00 C ATOM 887 O CYS A 60 75.709 -3.054 -8.438 1.00 1.00 O ATOM 888 CB CYS A 60 77.623 -3.911 -6.711 1.00 1.00 C ATOM 889 SG CYS A 60 79.178 -4.621 -6.115 1.00 1.00 S ATOM 0 H CYS A 60 78.175 -5.370 -9.192 1.00 1.00 H new ATOM 0 HA CYS A 60 76.291 -5.594 -6.895 1.00 1.00 H new ATOM 0 HB2 CYS A 60 77.822 -3.020 -7.307 1.00 1.00 H new ATOM 0 HB3 CYS A 60 77.006 -3.599 -5.868 1.00 1.00 H new ATOM 894 N GLY A 61 75.406 -4.965 -9.482 1.00 1.00 N ATOM 895 CA GLY A 61 74.484 -4.341 -10.473 1.00 1.00 C ATOM 896 C GLY A 61 73.429 -5.367 -10.876 1.00 1.00 C ATOM 897 O GLY A 61 72.764 -5.235 -11.884 1.00 1.00 O ATOM 0 H GLY A 61 75.567 -5.964 -9.611 1.00 1.00 H new ATOM 0 HA2 GLY A 61 74.008 -3.459 -10.043 1.00 1.00 H new ATOM 0 HA3 GLY A 61 75.041 -4.008 -11.349 1.00 1.00 H new ATOM 901 N THR A 62 73.278 -6.397 -10.090 1.00 1.00 N ATOM 902 CA THR A 62 72.276 -7.447 -10.411 1.00 1.00 C ATOM 903 C THR A 62 72.088 -8.347 -9.186 1.00 1.00 C ATOM 904 O THR A 62 71.044 -8.357 -8.565 1.00 1.00 O ATOM 905 CB THR A 62 72.782 -8.275 -11.597 1.00 1.00 C ATOM 906 OG1 THR A 62 72.542 -7.566 -12.804 1.00 1.00 O ATOM 907 CG2 THR A 62 72.048 -9.616 -11.636 1.00 1.00 C ATOM 0 H THR A 62 73.810 -6.556 -9.234 1.00 1.00 H new ATOM 0 HA THR A 62 71.321 -6.991 -10.673 1.00 1.00 H new ATOM 0 HB THR A 62 73.852 -8.453 -11.486 1.00 1.00 H new ATOM 0 HG1 THR A 62 72.336 -6.630 -12.598 1.00 1.00 H new ATOM 0 HG21 THR A 62 72.409 -10.204 -12.480 1.00 1.00 H new ATOM 0 HG22 THR A 62 72.234 -10.159 -10.710 1.00 1.00 H new ATOM 0 HG23 THR A 62 70.978 -9.442 -11.746 1.00 1.00 H new ATOM 915 N ASP A 63 73.095 -9.099 -8.831 1.00 1.00 N ATOM 916 CA ASP A 63 72.976 -9.991 -7.644 1.00 1.00 C ATOM 917 C ASP A 63 72.738 -9.138 -6.397 1.00 1.00 C ATOM 918 O ASP A 63 72.264 -9.615 -5.385 1.00 1.00 O ATOM 919 CB ASP A 63 74.269 -10.793 -7.476 1.00 1.00 C ATOM 920 CG ASP A 63 75.424 -9.841 -7.159 1.00 1.00 C ATOM 921 OD1 ASP A 63 75.689 -8.971 -7.973 1.00 1.00 O ATOM 922 OD2 ASP A 63 76.023 -9.997 -6.109 1.00 1.00 O ATOM 0 H ASP A 63 73.994 -9.134 -9.312 1.00 1.00 H new ATOM 0 HA ASP A 63 72.141 -10.678 -7.783 1.00 1.00 H new ATOM 0 HB2 ASP A 63 74.155 -11.523 -6.674 1.00 1.00 H new ATOM 0 HB3 ASP A 63 74.484 -11.351 -8.387 1.00 1.00 H new ATOM 927 N ILE A 64 73.063 -7.876 -6.466 1.00 1.00 N ATOM 928 CA ILE A 64 72.857 -6.981 -5.293 1.00 1.00 C ATOM 929 C ILE A 64 71.367 -6.942 -4.954 1.00 1.00 C ATOM 930 O ILE A 64 70.957 -6.352 -3.977 1.00 1.00 O ATOM 931 CB ILE A 64 73.364 -5.569 -5.647 1.00 1.00 C ATOM 932 CG1 ILE A 64 72.524 -4.527 -4.906 1.00 1.00 C ATOM 933 CG2 ILE A 64 73.239 -5.344 -7.155 1.00 1.00 C ATOM 934 CD1 ILE A 64 73.180 -3.151 -5.041 1.00 1.00 C ATOM 0 H ILE A 64 73.464 -7.425 -7.288 1.00 1.00 H new ATOM 0 HA ILE A 64 73.409 -7.351 -4.429 1.00 1.00 H new ATOM 0 HB ILE A 64 74.409 -5.473 -5.351 1.00 1.00 H new ATOM 0 HG12 ILE A 64 71.514 -4.501 -5.315 1.00 1.00 H new ATOM 0 HG13 ILE A 64 72.435 -4.798 -3.854 1.00 1.00 H new ATOM 0 HG21 ILE A 64 73.598 -4.345 -7.405 1.00 1.00 H new ATOM 0 HG22 ILE A 64 73.836 -6.087 -7.684 1.00 1.00 H new ATOM 0 HG23 ILE A 64 72.194 -5.439 -7.452 1.00 1.00 H new ATOM 0 HD11 ILE A 64 72.581 -2.409 -4.513 1.00 1.00 H new ATOM 0 HD12 ILE A 64 74.181 -3.182 -4.611 1.00 1.00 H new ATOM 0 HD13 ILE A 64 73.245 -2.881 -6.095 1.00 1.00 H new ATOM 946 N THR A 65 70.566 -7.576 -5.763 1.00 1.00 N ATOM 947 CA THR A 65 69.085 -7.598 -5.532 1.00 1.00 C ATOM 948 C THR A 65 68.678 -6.413 -4.652 1.00 1.00 C ATOM 949 O THR A 65 67.973 -6.567 -3.676 1.00 1.00 O ATOM 950 CB THR A 65 68.689 -8.906 -4.841 1.00 1.00 C ATOM 951 OG1 THR A 65 67.311 -8.860 -4.498 1.00 1.00 O ATOM 952 CG2 THR A 65 69.526 -9.090 -3.574 1.00 1.00 C ATOM 0 H THR A 65 70.875 -8.089 -6.589 1.00 1.00 H new ATOM 0 HA THR A 65 68.574 -7.526 -6.492 1.00 1.00 H new ATOM 0 HB THR A 65 68.868 -9.743 -5.516 1.00 1.00 H new ATOM 0 HG1 THR A 65 67.164 -8.159 -3.829 1.00 1.00 H new ATOM 0 HG21 THR A 65 69.243 -10.021 -3.083 1.00 1.00 H new ATOM 0 HG22 THR A 65 70.583 -9.125 -3.838 1.00 1.00 H new ATOM 0 HG23 THR A 65 69.349 -8.255 -2.897 1.00 1.00 H new ATOM 960 N VAL A 66 69.140 -5.235 -4.981 1.00 1.00 N ATOM 961 CA VAL A 66 68.807 -4.040 -4.153 1.00 1.00 C ATOM 962 C VAL A 66 69.565 -4.152 -2.828 1.00 1.00 C ATOM 963 O VAL A 66 70.117 -3.193 -2.326 1.00 1.00 O ATOM 964 CB VAL A 66 67.295 -3.983 -3.895 1.00 1.00 C ATOM 965 CG1 VAL A 66 66.880 -2.540 -3.604 1.00 1.00 C ATOM 966 CG2 VAL A 66 66.549 -4.487 -5.132 1.00 1.00 C ATOM 0 H VAL A 66 69.734 -5.049 -5.789 1.00 1.00 H new ATOM 0 HA VAL A 66 69.097 -3.128 -4.674 1.00 1.00 H new ATOM 0 HB VAL A 66 67.049 -4.611 -3.039 1.00 1.00 H new ATOM 0 HG11 VAL A 66 65.806 -2.500 -3.421 1.00 1.00 H new ATOM 0 HG12 VAL A 66 67.412 -2.179 -2.724 1.00 1.00 H new ATOM 0 HG13 VAL A 66 67.126 -1.911 -4.460 1.00 1.00 H new ATOM 0 HG21 VAL A 66 65.475 -4.447 -4.950 1.00 1.00 H new ATOM 0 HG22 VAL A 66 66.796 -3.858 -5.987 1.00 1.00 H new ATOM 0 HG23 VAL A 66 66.844 -5.515 -5.341 1.00 1.00 H new ATOM 976 N ILE A 67 69.617 -5.337 -2.282 1.00 1.00 N ATOM 977 CA ILE A 67 70.360 -5.565 -1.010 1.00 1.00 C ATOM 978 C ILE A 67 71.173 -6.847 -1.166 1.00 1.00 C ATOM 979 O ILE A 67 70.661 -7.938 -1.011 1.00 1.00 O ATOM 980 CB ILE A 67 69.381 -5.726 0.157 1.00 1.00 C ATOM 981 CG1 ILE A 67 68.713 -4.381 0.449 1.00 1.00 C ATOM 982 CG2 ILE A 67 70.139 -6.198 1.399 1.00 1.00 C ATOM 983 CD1 ILE A 67 67.202 -4.505 0.243 1.00 1.00 C ATOM 0 H ILE A 67 69.170 -6.168 -2.669 1.00 1.00 H new ATOM 0 HA ILE A 67 71.009 -4.715 -0.802 1.00 1.00 H new ATOM 0 HB ILE A 67 68.621 -6.462 -0.105 1.00 1.00 H new ATOM 0 HG12 ILE A 67 68.927 -4.071 1.472 1.00 1.00 H new ATOM 0 HG13 ILE A 67 69.118 -3.612 -0.208 1.00 1.00 H new ATOM 0 HG21 ILE A 67 69.442 -6.312 2.229 1.00 1.00 H new ATOM 0 HG22 ILE A 67 70.617 -7.156 1.192 1.00 1.00 H new ATOM 0 HG23 ILE A 67 70.899 -5.463 1.662 1.00 1.00 H new ATOM 0 HD11 ILE A 67 66.727 -3.547 0.451 1.00 1.00 H new ATOM 0 HD12 ILE A 67 66.998 -4.795 -0.788 1.00 1.00 H new ATOM 0 HD13 ILE A 67 66.804 -5.262 0.919 1.00 1.00 H new ATOM 995 N CYS A 68 72.428 -6.735 -1.486 1.00 1.00 N ATOM 996 CA CYS A 68 73.251 -7.963 -1.665 1.00 1.00 C ATOM 997 C CYS A 68 73.365 -8.693 -0.320 1.00 1.00 C ATOM 998 O CYS A 68 73.535 -8.077 0.713 1.00 1.00 O ATOM 999 CB CYS A 68 74.642 -7.572 -2.177 1.00 1.00 C ATOM 1000 SG CYS A 68 74.607 -5.862 -2.769 1.00 1.00 S ATOM 0 H CYS A 68 72.919 -5.853 -1.631 1.00 1.00 H new ATOM 0 HA CYS A 68 72.781 -8.625 -2.392 1.00 1.00 H new ATOM 0 HB2 CYS A 68 75.378 -7.677 -1.380 1.00 1.00 H new ATOM 0 HB3 CYS A 68 74.946 -8.241 -2.982 1.00 1.00 H new ATOM 1005 N PRO A 69 73.243 -10.002 -0.324 1.00 1.00 N ATOM 1006 CA PRO A 69 73.301 -10.822 0.926 1.00 1.00 C ATOM 1007 C PRO A 69 74.699 -10.887 1.550 1.00 1.00 C ATOM 1008 O PRO A 69 74.840 -11.074 2.743 1.00 1.00 O ATOM 1009 CB PRO A 69 72.854 -12.216 0.470 1.00 1.00 C ATOM 1010 CG PRO A 69 73.174 -12.270 -0.987 1.00 1.00 C ATOM 1011 CD PRO A 69 73.041 -10.840 -1.517 1.00 1.00 C ATOM 0 HA PRO A 69 72.675 -10.388 1.706 1.00 1.00 H new ATOM 0 HB2 PRO A 69 73.380 -12.998 1.018 1.00 1.00 H new ATOM 0 HB3 PRO A 69 71.789 -12.365 0.645 1.00 1.00 H new ATOM 0 HG2 PRO A 69 74.182 -12.651 -1.148 1.00 1.00 H new ATOM 0 HG3 PRO A 69 72.492 -12.942 -1.509 1.00 1.00 H new ATOM 0 HD2 PRO A 69 73.784 -10.628 -2.285 1.00 1.00 H new ATOM 0 HD3 PRO A 69 72.062 -10.669 -1.965 1.00 1.00 H new ATOM 1019 N TRP A 70 75.734 -10.745 0.770 1.00 1.00 N ATOM 1020 CA TRP A 70 77.102 -10.815 1.359 1.00 1.00 C ATOM 1021 C TRP A 70 77.428 -9.490 2.054 1.00 1.00 C ATOM 1022 O TRP A 70 78.478 -9.332 2.644 1.00 1.00 O ATOM 1023 CB TRP A 70 78.137 -11.110 0.267 1.00 1.00 C ATOM 1024 CG TRP A 70 77.854 -10.268 -0.935 1.00 1.00 C ATOM 1025 CD1 TRP A 70 76.814 -10.446 -1.781 1.00 1.00 C ATOM 1026 CD2 TRP A 70 78.600 -9.122 -1.440 1.00 1.00 C ATOM 1027 NE1 TRP A 70 76.872 -9.484 -2.773 1.00 1.00 N ATOM 1028 CE2 TRP A 70 77.955 -8.644 -2.607 1.00 1.00 C ATOM 1029 CE3 TRP A 70 79.760 -8.457 -1.005 1.00 1.00 C ATOM 1030 CZ2 TRP A 70 78.446 -7.544 -3.316 1.00 1.00 C ATOM 1031 CZ3 TRP A 70 80.256 -7.353 -1.714 1.00 1.00 C ATOM 1032 CH2 TRP A 70 79.602 -6.897 -2.866 1.00 1.00 C ATOM 0 H TRP A 70 75.695 -10.586 -0.237 1.00 1.00 H new ATOM 0 HA TRP A 70 77.135 -11.622 2.091 1.00 1.00 H new ATOM 0 HB2 TRP A 70 79.141 -10.905 0.639 1.00 1.00 H new ATOM 0 HB3 TRP A 70 78.106 -12.166 -0.001 1.00 1.00 H new ATOM 0 HD1 TRP A 70 76.060 -11.215 -1.696 1.00 1.00 H new ATOM 0 HE1 TRP A 70 76.197 -9.405 -3.534 1.00 1.00 H new ATOM 0 HE3 TRP A 70 80.273 -8.799 -0.118 1.00 1.00 H new ATOM 0 HZ2 TRP A 70 77.938 -7.197 -4.203 1.00 1.00 H new ATOM 0 HZ3 TRP A 70 81.148 -6.851 -1.370 1.00 1.00 H new ATOM 0 HH2 TRP A 70 79.990 -6.046 -3.407 1.00 1.00 H new ATOM 1043 N GLU A 71 76.527 -8.545 2.008 1.00 1.00 N ATOM 1044 CA GLU A 71 76.774 -7.238 2.681 1.00 1.00 C ATOM 1045 C GLU A 71 75.427 -6.573 2.979 1.00 1.00 C ATOM 1046 O GLU A 71 75.189 -5.437 2.620 1.00 1.00 O ATOM 1047 CB GLU A 71 77.611 -6.329 1.768 1.00 1.00 C ATOM 1048 CG GLU A 71 79.099 -6.592 2.007 1.00 1.00 C ATOM 1049 CD GLU A 71 79.926 -5.488 1.346 1.00 1.00 C ATOM 1050 OE1 GLU A 71 79.415 -4.387 1.221 1.00 1.00 O ATOM 1051 OE2 GLU A 71 81.056 -5.761 0.976 1.00 1.00 O ATOM 0 H GLU A 71 75.628 -8.623 1.532 1.00 1.00 H new ATOM 0 HA GLU A 71 77.320 -7.401 3.610 1.00 1.00 H new ATOM 0 HB2 GLU A 71 77.361 -6.516 0.724 1.00 1.00 H new ATOM 0 HB3 GLU A 71 77.379 -5.283 1.968 1.00 1.00 H new ATOM 0 HG2 GLU A 71 79.306 -6.625 3.077 1.00 1.00 H new ATOM 0 HG3 GLU A 71 79.377 -7.563 1.599 1.00 1.00 H new ATOM 1058 N ALA A 72 74.544 -7.276 3.634 1.00 1.00 N ATOM 1059 CA ALA A 72 73.213 -6.689 3.954 1.00 1.00 C ATOM 1060 C ALA A 72 73.400 -5.437 4.813 1.00 1.00 C ATOM 1061 O ALA A 72 73.910 -5.497 5.914 1.00 1.00 O ATOM 1062 CB ALA A 72 72.374 -7.713 4.721 1.00 1.00 C ATOM 0 H ALA A 72 74.687 -8.231 3.961 1.00 1.00 H new ATOM 0 HA ALA A 72 72.703 -6.422 3.029 1.00 1.00 H new ATOM 0 HB1 ALA A 72 71.400 -7.283 4.955 1.00 1.00 H new ATOM 0 HB2 ALA A 72 72.239 -8.605 4.109 1.00 1.00 H new ATOM 0 HB3 ALA A 72 72.884 -7.981 5.646 1.00 1.00 H new ATOM 1068 N CYS A 73 72.989 -4.301 4.318 1.00 1.00 N ATOM 1069 CA CYS A 73 73.141 -3.046 5.105 1.00 1.00 C ATOM 1070 C CYS A 73 72.354 -3.167 6.411 1.00 1.00 C ATOM 1071 O CYS A 73 72.328 -2.260 7.219 1.00 1.00 O ATOM 1072 CB CYS A 73 72.602 -1.867 4.292 1.00 1.00 C ATOM 1073 SG CYS A 73 70.922 -2.239 3.732 1.00 1.00 S ATOM 0 H CYS A 73 72.554 -4.189 3.402 1.00 1.00 H new ATOM 0 HA CYS A 73 74.195 -2.881 5.329 1.00 1.00 H new ATOM 0 HB2 CYS A 73 72.602 -0.962 4.900 1.00 1.00 H new ATOM 0 HB3 CYS A 73 73.249 -1.676 3.435 1.00 1.00 H new ATOM 1078 N ASN A 74 71.709 -4.282 6.623 1.00 1.00 N ATOM 1079 CA ASN A 74 70.919 -4.467 7.873 1.00 1.00 C ATOM 1080 C ASN A 74 71.788 -5.139 8.938 1.00 1.00 C ATOM 1081 O ASN A 74 71.731 -4.801 10.103 1.00 1.00 O ATOM 1082 CB ASN A 74 69.704 -5.349 7.579 1.00 1.00 C ATOM 1083 CG ASN A 74 68.730 -5.287 8.757 1.00 1.00 C ATOM 1084 OD1 ASN A 74 69.009 -4.659 9.759 1.00 1.00 O ATOM 1085 ND2 ASN A 74 67.589 -5.915 8.678 1.00 1.00 N ATOM 0 H ASN A 74 71.695 -5.075 5.982 1.00 1.00 H new ATOM 0 HA ASN A 74 70.588 -3.495 8.238 1.00 1.00 H new ATOM 0 HB2 ASN A 74 69.210 -5.013 6.667 1.00 1.00 H new ATOM 0 HB3 ASN A 74 70.021 -6.378 7.410 1.00 1.00 H new ATOM 0 HD21 ASN A 74 66.932 -5.879 9.457 1.00 1.00 H new ATOM 0 HD22 ASN A 74 67.354 -6.442 7.837 1.00 1.00 H new ATOM 1092 N HIS A 75 72.590 -6.094 8.550 1.00 1.00 N ATOM 1093 CA HIS A 75 73.458 -6.791 9.543 1.00 1.00 C ATOM 1094 C HIS A 75 74.789 -6.047 9.676 1.00 1.00 C ATOM 1095 O HIS A 75 75.010 -5.322 10.624 1.00 1.00 O ATOM 1096 CB HIS A 75 73.719 -8.227 9.073 1.00 1.00 C ATOM 1097 CG HIS A 75 72.572 -9.107 9.488 1.00 1.00 C ATOM 1098 ND1 HIS A 75 72.649 -9.955 10.583 1.00 1.00 N ATOM 1099 CD2 HIS A 75 71.313 -9.281 8.966 1.00 1.00 C ATOM 1100 CE1 HIS A 75 71.471 -10.596 10.685 1.00 1.00 C ATOM 1101 NE2 HIS A 75 70.624 -10.222 9.725 1.00 1.00 N ATOM 0 H HIS A 75 72.682 -6.422 7.588 1.00 1.00 H new ATOM 0 HA HIS A 75 72.957 -6.809 10.511 1.00 1.00 H new ATOM 0 HB2 HIS A 75 73.836 -8.251 7.990 1.00 1.00 H new ATOM 0 HB3 HIS A 75 74.650 -8.598 9.502 1.00 1.00 H new ATOM 0 HD2 HIS A 75 70.919 -8.767 8.101 1.00 1.00 H new ATOM 0 HE1 HIS A 75 71.240 -11.323 11.449 1.00 1.00 H new ATOM 0 HE2 HIS A 75 69.671 -10.556 9.578 1.00 1.00 H new ATOM 1110 N CYS A 76 75.679 -6.233 8.735 1.00 1.00 N ATOM 1111 CA CYS A 76 77.004 -5.551 8.800 1.00 1.00 C ATOM 1112 C CYS A 76 77.705 -5.922 10.109 1.00 1.00 C ATOM 1113 O CYS A 76 77.102 -5.952 11.163 1.00 1.00 O ATOM 1114 CB CYS A 76 76.809 -4.034 8.732 1.00 1.00 C ATOM 1115 SG CYS A 76 78.368 -3.207 9.134 1.00 1.00 S ATOM 0 H CYS A 76 75.543 -6.832 7.920 1.00 1.00 H new ATOM 0 HA CYS A 76 77.617 -5.871 7.957 1.00 1.00 H new ATOM 0 HB2 CYS A 76 76.477 -3.744 7.735 1.00 1.00 H new ATOM 0 HB3 CYS A 76 76.031 -3.725 9.430 1.00 1.00 H new ATOM 1120 N GLU A 77 78.975 -6.211 10.049 1.00 1.00 N ATOM 1121 CA GLU A 77 79.713 -6.587 11.288 1.00 1.00 C ATOM 1122 C GLU A 77 79.472 -5.530 12.368 1.00 1.00 C ATOM 1123 O GLU A 77 79.230 -5.847 13.516 1.00 1.00 O ATOM 1124 CB GLU A 77 81.212 -6.679 10.978 1.00 1.00 C ATOM 1125 CG GLU A 77 81.873 -7.675 11.933 1.00 1.00 C ATOM 1126 CD GLU A 77 81.498 -9.101 11.523 1.00 1.00 C ATOM 1127 OE1 GLU A 77 80.681 -9.244 10.629 1.00 1.00 O ATOM 1128 OE2 GLU A 77 82.036 -10.025 12.110 1.00 1.00 O ATOM 0 H GLU A 77 79.534 -6.203 9.196 1.00 1.00 H new ATOM 0 HA GLU A 77 79.358 -7.553 11.647 1.00 1.00 H new ATOM 0 HB2 GLU A 77 81.361 -6.995 9.946 1.00 1.00 H new ATOM 0 HB3 GLU A 77 81.676 -5.698 11.081 1.00 1.00 H new ATOM 0 HG2 GLU A 77 82.956 -7.552 11.912 1.00 1.00 H new ATOM 0 HG3 GLU A 77 81.551 -7.483 12.956 1.00 1.00 H new ATOM 1135 N LEU A 78 79.534 -4.277 12.011 1.00 1.00 N ATOM 1136 CA LEU A 78 79.304 -3.206 13.021 1.00 1.00 C ATOM 1137 C LEU A 78 77.805 -3.083 13.297 1.00 1.00 C ATOM 1138 O LEU A 78 77.216 -2.034 13.126 1.00 1.00 O ATOM 1139 CB LEU A 78 79.842 -1.874 12.490 1.00 1.00 C ATOM 1140 CG LEU A 78 81.351 -1.800 12.732 1.00 1.00 C ATOM 1141 CD1 LEU A 78 82.036 -2.986 12.051 1.00 1.00 C ATOM 1142 CD2 LEU A 78 81.896 -0.494 12.151 1.00 1.00 C ATOM 0 H LEU A 78 79.733 -3.949 11.066 1.00 1.00 H new ATOM 0 HA LEU A 78 79.824 -3.459 13.945 1.00 1.00 H new ATOM 0 HB2 LEU A 78 79.629 -1.782 11.425 1.00 1.00 H new ATOM 0 HB3 LEU A 78 79.342 -1.043 12.988 1.00 1.00 H new ATOM 0 HG LEU A 78 81.549 -1.833 13.803 1.00 1.00 H new ATOM 0 HD11 LEU A 78 83.111 -2.933 12.223 1.00 1.00 H new ATOM 0 HD12 LEU A 78 81.647 -3.917 12.464 1.00 1.00 H new ATOM 0 HD13 LEU A 78 81.838 -2.954 10.980 1.00 1.00 H new ATOM 0 HD21 LEU A 78 82.971 -0.440 12.323 1.00 1.00 H new ATOM 0 HD22 LEU A 78 81.698 -0.462 11.080 1.00 1.00 H new ATOM 0 HD23 LEU A 78 81.408 0.352 12.636 1.00 1.00 H new ATOM 1154 N HIS A 79 77.183 -4.147 13.726 1.00 1.00 N ATOM 1155 CA HIS A 79 75.724 -4.091 14.017 1.00 1.00 C ATOM 1156 C HIS A 79 75.468 -3.083 15.141 1.00 1.00 C ATOM 1157 O HIS A 79 74.364 -2.947 15.629 1.00 1.00 O ATOM 1158 CB HIS A 79 75.238 -5.478 14.450 1.00 1.00 C ATOM 1159 CG HIS A 79 75.768 -5.790 15.822 1.00 1.00 C ATOM 1160 ND1 HIS A 79 75.094 -5.421 16.977 1.00 1.00 N ATOM 1161 CD2 HIS A 79 76.907 -6.434 16.242 1.00 1.00 C ATOM 1162 CE1 HIS A 79 75.823 -5.841 18.026 1.00 1.00 C ATOM 1163 NE2 HIS A 79 76.935 -6.464 17.633 1.00 1.00 N ATOM 0 H HIS A 79 77.623 -5.053 13.887 1.00 1.00 H new ATOM 0 HA HIS A 79 75.184 -3.781 13.122 1.00 1.00 H new ATOM 0 HB2 HIS A 79 74.148 -5.508 14.454 1.00 1.00 H new ATOM 0 HB3 HIS A 79 75.575 -6.232 13.738 1.00 1.00 H new ATOM 0 HD2 HIS A 79 77.663 -6.852 15.593 1.00 1.00 H new ATOM 0 HE1 HIS A 79 75.543 -5.692 19.058 1.00 1.00 H new ATOM 0 HE2 HIS A 79 77.655 -6.876 18.227 1.00 1.00 H new ATOM 1172 N GLU A 80 76.486 -2.380 15.560 1.00 1.00 N ATOM 1173 CA GLU A 80 76.310 -1.387 16.656 1.00 1.00 C ATOM 1174 C GLU A 80 75.515 -0.181 16.147 1.00 1.00 C ATOM 1175 O GLU A 80 74.308 -0.121 16.278 1.00 1.00 O ATOM 1176 CB GLU A 80 77.685 -0.923 17.143 1.00 1.00 C ATOM 1177 CG GLU A 80 77.510 0.109 18.259 1.00 1.00 C ATOM 1178 CD GLU A 80 78.872 0.428 18.877 1.00 1.00 C ATOM 1179 OE1 GLU A 80 79.295 -0.315 19.747 1.00 1.00 O ATOM 1180 OE2 GLU A 80 79.470 1.411 18.471 1.00 1.00 O ATOM 0 H GLU A 80 77.433 -2.452 15.189 1.00 1.00 H new ATOM 0 HA GLU A 80 75.765 -1.851 17.478 1.00 1.00 H new ATOM 0 HB2 GLU A 80 78.260 -1.774 17.507 1.00 1.00 H new ATOM 0 HB3 GLU A 80 78.248 -0.489 16.317 1.00 1.00 H new ATOM 0 HG2 GLU A 80 77.058 1.017 17.861 1.00 1.00 H new ATOM 0 HG3 GLU A 80 76.834 -0.276 19.022 1.00 1.00 H new ATOM 1187 N LEU A 81 76.184 0.787 15.579 1.00 1.00 N ATOM 1188 CA LEU A 81 75.469 1.998 15.077 1.00 1.00 C ATOM 1189 C LEU A 81 74.694 1.665 13.799 1.00 1.00 C ATOM 1190 O LEU A 81 74.026 2.508 13.234 1.00 1.00 O ATOM 1191 CB LEU A 81 76.484 3.106 14.779 1.00 1.00 C ATOM 1192 CG LEU A 81 77.649 2.534 13.970 1.00 1.00 C ATOM 1193 CD1 LEU A 81 78.070 3.541 12.898 1.00 1.00 C ATOM 1194 CD2 LEU A 81 78.831 2.261 14.903 1.00 1.00 C ATOM 0 H LEU A 81 77.195 0.792 15.441 1.00 1.00 H new ATOM 0 HA LEU A 81 74.768 2.335 15.841 1.00 1.00 H new ATOM 0 HB2 LEU A 81 76.004 3.912 14.224 1.00 1.00 H new ATOM 0 HB3 LEU A 81 76.852 3.536 15.711 1.00 1.00 H new ATOM 0 HG LEU A 81 77.338 1.604 13.493 1.00 1.00 H new ATOM 0 HD11 LEU A 81 78.900 3.133 12.322 1.00 1.00 H new ATOM 0 HD12 LEU A 81 77.229 3.738 12.233 1.00 1.00 H new ATOM 0 HD13 LEU A 81 78.381 4.471 13.374 1.00 1.00 H new ATOM 0 HD21 LEU A 81 79.662 1.853 14.328 1.00 1.00 H new ATOM 0 HD22 LEU A 81 79.141 3.191 15.379 1.00 1.00 H new ATOM 0 HD23 LEU A 81 78.533 1.544 15.668 1.00 1.00 H new ATOM 1206 N ALA A 82 74.768 0.447 13.339 1.00 1.00 N ATOM 1207 CA ALA A 82 74.025 0.078 12.101 1.00 1.00 C ATOM 1208 C ALA A 82 72.523 0.260 12.343 1.00 1.00 C ATOM 1209 O ALA A 82 72.056 1.351 12.602 1.00 1.00 O ATOM 1210 CB ALA A 82 74.315 -1.383 11.748 1.00 1.00 C ATOM 0 H ALA A 82 75.308 -0.306 13.764 1.00 1.00 H new ATOM 0 HA ALA A 82 74.343 0.717 11.277 1.00 1.00 H new ATOM 0 HB1 ALA A 82 73.772 -1.653 10.843 1.00 1.00 H new ATOM 0 HB2 ALA A 82 75.384 -1.512 11.582 1.00 1.00 H new ATOM 0 HB3 ALA A 82 73.996 -2.026 12.568 1.00 1.00 H new ATOM 1216 N GLN A 83 71.767 -0.803 12.267 1.00 1.00 N ATOM 1217 CA GLN A 83 70.296 -0.702 12.499 1.00 1.00 C ATOM 1218 C GLN A 83 69.613 -0.091 11.272 1.00 1.00 C ATOM 1219 O GLN A 83 68.690 -0.659 10.722 1.00 1.00 O ATOM 1220 CB GLN A 83 70.028 0.178 13.730 1.00 1.00 C ATOM 1221 CG GLN A 83 68.754 -0.299 14.431 1.00 1.00 C ATOM 1222 CD GLN A 83 68.541 0.513 15.710 1.00 1.00 C ATOM 1223 OE1 GLN A 83 68.616 1.726 15.694 1.00 1.00 O ATOM 1224 NE2 GLN A 83 68.276 -0.109 16.826 1.00 1.00 N ATOM 0 H GLN A 83 72.106 -1.741 12.053 1.00 1.00 H new ATOM 0 HA GLN A 83 69.893 -1.700 12.671 1.00 1.00 H new ATOM 0 HB2 GLN A 83 70.873 0.129 14.416 1.00 1.00 H new ATOM 0 HB3 GLN A 83 69.922 1.220 13.429 1.00 1.00 H new ATOM 0 HG2 GLN A 83 67.897 -0.184 13.768 1.00 1.00 H new ATOM 0 HG3 GLN A 83 68.833 -1.360 14.670 1.00 1.00 H new ATOM 0 HE21 GLN A 83 68.213 -1.127 16.840 1.00 1.00 H new ATOM 0 HE22 GLN A 83 68.132 0.423 17.684 1.00 1.00 H new ATOM 1233 N TYR A 84 70.050 1.064 10.842 1.00 1.00 N ATOM 1234 CA TYR A 84 69.411 1.711 9.655 1.00 1.00 C ATOM 1235 C TYR A 84 70.481 2.324 8.752 1.00 1.00 C ATOM 1236 O TYR A 84 70.235 2.619 7.599 1.00 1.00 O ATOM 1237 CB TYR A 84 68.468 2.818 10.128 1.00 1.00 C ATOM 1238 CG TYR A 84 67.494 2.258 11.137 1.00 1.00 C ATOM 1239 CD1 TYR A 84 66.592 1.257 10.758 1.00 1.00 C ATOM 1240 CD2 TYR A 84 67.493 2.740 12.451 1.00 1.00 C ATOM 1241 CE1 TYR A 84 65.689 0.737 11.693 1.00 1.00 C ATOM 1242 CE2 TYR A 84 66.590 2.221 13.387 1.00 1.00 C ATOM 1243 CZ TYR A 84 65.688 1.219 13.008 1.00 1.00 C ATOM 1244 OH TYR A 84 64.798 0.707 13.930 1.00 1.00 O ATOM 0 H TYR A 84 70.820 1.587 11.259 1.00 1.00 H new ATOM 0 HA TYR A 84 68.855 0.957 9.097 1.00 1.00 H new ATOM 0 HB2 TYR A 84 69.041 3.632 10.573 1.00 1.00 H new ATOM 0 HB3 TYR A 84 67.927 3.236 9.279 1.00 1.00 H new ATOM 0 HD1 TYR A 84 66.593 0.886 9.744 1.00 1.00 H new ATOM 0 HD2 TYR A 84 68.189 3.512 12.743 1.00 1.00 H new ATOM 0 HE1 TYR A 84 64.993 -0.036 11.400 1.00 1.00 H new ATOM 0 HE2 TYR A 84 66.589 2.593 14.401 1.00 1.00 H new ATOM 0 HH TYR A 84 64.931 1.150 14.794 1.00 1.00 H new ATOM 1254 N GLY A 85 71.660 2.531 9.263 1.00 1.00 N ATOM 1255 CA GLY A 85 72.731 3.137 8.425 1.00 1.00 C ATOM 1256 C GLY A 85 72.375 4.596 8.133 1.00 1.00 C ATOM 1257 O GLY A 85 71.237 4.928 7.866 1.00 1.00 O ATOM 0 H GLY A 85 71.929 2.308 10.221 1.00 1.00 H new ATOM 0 HA2 GLY A 85 73.689 3.080 8.941 1.00 1.00 H new ATOM 0 HA3 GLY A 85 72.838 2.582 7.493 1.00 1.00 H new ATOM 1261 N ILE A 86 73.336 5.474 8.193 1.00 1.00 N ATOM 1262 CA ILE A 86 73.049 6.916 7.932 1.00 1.00 C ATOM 1263 C ILE A 86 73.078 7.193 6.423 1.00 1.00 C ATOM 1264 O ILE A 86 73.301 8.309 5.996 1.00 1.00 O ATOM 1265 CB ILE A 86 74.110 7.786 8.629 1.00 1.00 C ATOM 1266 CG1 ILE A 86 74.726 7.003 9.791 1.00 1.00 C ATOM 1267 CG2 ILE A 86 73.455 9.060 9.165 1.00 1.00 C ATOM 1268 CD1 ILE A 86 75.743 7.885 10.519 1.00 1.00 C ATOM 0 H ILE A 86 74.309 5.258 8.411 1.00 1.00 H new ATOM 0 HA ILE A 86 72.060 7.157 8.323 1.00 1.00 H new ATOM 0 HB ILE A 86 74.889 8.052 7.914 1.00 1.00 H new ATOM 0 HG12 ILE A 86 73.946 6.683 10.482 1.00 1.00 H new ATOM 0 HG13 ILE A 86 75.212 6.101 9.419 1.00 1.00 H new ATOM 0 HG21 ILE A 86 74.207 9.676 9.659 1.00 1.00 H new ATOM 0 HG22 ILE A 86 73.014 9.618 8.339 1.00 1.00 H new ATOM 0 HG23 ILE A 86 72.676 8.795 9.880 1.00 1.00 H new ATOM 0 HD11 ILE A 86 76.182 7.327 11.347 1.00 1.00 H new ATOM 0 HD12 ILE A 86 76.529 8.183 9.825 1.00 1.00 H new ATOM 0 HD13 ILE A 86 75.244 8.774 10.905 1.00 1.00 H new ATOM 1280 N CYS A 87 72.859 6.196 5.611 1.00 1.00 N ATOM 1281 CA CYS A 87 72.881 6.425 4.137 1.00 1.00 C ATOM 1282 C CYS A 87 71.890 7.536 3.782 1.00 1.00 C ATOM 1283 CB CYS A 87 72.489 5.137 3.404 1.00 1.00 C ATOM 1284 SG CYS A 87 72.963 3.702 4.401 1.00 1.00 S ATOM 0 H CYS A 87 72.667 5.237 5.901 1.00 1.00 H new ATOM 0 HA CYS A 87 73.886 6.718 3.833 1.00 1.00 H new ATOM 0 HB2 CYS A 87 71.415 5.125 3.219 1.00 1.00 H new ATOM 0 HB3 CYS A 87 72.981 5.096 2.432 1.00 1.00 H new TER 1289 CYS A 87 HETATM 1290 C1C RCY A 110 55.462 -7.885 -3.835 1.00 1.00 C HETATM 1291 O1G RCY A 110 55.803 -11.862 -4.450 1.00 1.00 O HETATM 1292 O1H RCY A 110 56.797 -9.346 -0.579 1.00 1.00 O HETATM 1293 O1J RCY A 110 56.684 -6.552 -1.427 1.00 1.00 O HETATM 1294 C1L RCY A 110 55.164 -12.084 -2.098 1.00 1.00 C HETATM 1295 C1M RCY A 110 58.891 -9.130 -3.212 1.00 1.00 C HETATM 1296 C1P RCY A 110 55.894 -11.456 -3.292 1.00 1.00 C HETATM 1297 C1Q RCY A 110 56.585 -10.280 -1.351 1.00 1.00 C HETATM 1298 N1R RCY A 110 56.748 -10.264 -2.865 1.00 1.00 N HETATM 1299 C1S RCY A 110 56.109 -11.669 -0.965 1.00 1.00 C HETATM 1300 C1U RCY A 110 57.562 -9.296 -3.727 1.00 1.00 C HETATM 1301 C1V RCY A 110 57.631 -7.010 -4.814 1.00 1.00 C HETATM 1302 N1V RCY A 110 57.423 -7.409 -2.350 1.00 1.00 N HETATM 1303 C1W RCY A 110 58.802 -8.032 -2.145 1.00 1.00 C HETATM 1304 C1X RCY A 110 56.989 -7.880 -3.731 1.00 1.00 C HETATM 1305 C1Y RCY A 110 59.899 -6.985 -2.357 1.00 1.00 C HETATM 1306 C1Z RCY A 110 58.882 -8.619 -0.736 1.00 1.00 C HETATM 0 H1ZA RCY A 110 59.829 -9.145 -0.614 1.00 1.00 H new HETATM 0 H1VB RCY A 110 57.357 -7.392 -5.797 1.00 1.00 H new HETATM 0 H1VA RCY A 110 57.279 -5.984 -4.712 1.00 1.00 H new HETATM 0 H1MA RCY A 110 59.261 -10.061 -2.783 1.00 1.00 H new HETATM 0 H1LA RCY A 110 54.157 -11.687 -1.968 1.00 1.00 H new HETATM 0 H1CA RCY A 110 55.041 -8.422 -2.985 1.00 1.00 H new HETATM 0 H1V RCY A 110 58.715 -7.034 -4.705 1.00 1.00 H new HETATM 0 H1U RCY A 110 57.541 -9.740 -4.722 1.00 1.00 H new HETATM 0 H1S RCY A 110 56.945 -12.363 -0.872 1.00 1.00 H new HETATM 0 H1L RCY A 110 55.070 -13.166 -2.188 1.00 1.00 H new HETATM 1309 C1C RCY A 121 63.473 6.936 -6.137 1.00 1.00 C HETATM 1310 O1G RCY A 121 62.773 7.872 -11.111 1.00 1.00 O HETATM 1311 O1H RCY A 121 64.595 5.437 -7.498 1.00 1.00 O HETATM 1312 O1J RCY A 121 66.473 7.191 -6.054 1.00 1.00 O HETATM 1313 C1L RCY A 121 63.439 5.534 -10.834 1.00 1.00 C HETATM 1314 C1M RCY A 121 64.668 9.466 -8.559 1.00 1.00 C HETATM 1315 C1P RCY A 121 63.263 6.996 -10.401 1.00 1.00 C HETATM 1316 C1Q RCY A 121 64.363 5.867 -8.627 1.00 1.00 C HETATM 1317 N1R RCY A 121 63.772 7.226 -8.979 1.00 1.00 N HETATM 1318 C1S RCY A 121 64.613 5.134 -9.933 1.00 1.00 C HETATM 1319 C1U RCY A 121 63.711 8.492 -8.121 1.00 1.00 C HETATM 1320 C1V RCY A 121 63.738 9.430 -5.769 1.00 1.00 C HETATM 1321 N1V RCY A 121 65.595 8.096 -6.790 1.00 1.00 N HETATM 1322 C1W RCY A 121 65.988 9.112 -7.861 1.00 1.00 C HETATM 1323 C1X RCY A 121 64.085 8.237 -6.662 1.00 1.00 C HETATM 1324 C1Y RCY A 121 66.606 10.356 -7.217 1.00 1.00 C HETATM 1325 C1Z RCY A 121 66.973 8.461 -8.832 1.00 1.00 C HETATM 0 H1VB RCY A 121 62.656 9.553 -5.730 1.00 1.00 H new HETATM 0 H1VA RCY A 121 64.119 9.255 -4.763 1.00 1.00 H new HETATM 0 H1LA RCY A 121 62.548 4.934 -10.650 1.00 1.00 H new HETATM 0 H1CB RCY A 121 62.387 6.991 -6.207 1.00 1.00 H new HETATM 0 H1CA RCY A 121 63.833 6.098 -6.734 1.00 1.00 H new HETATM 0 H1Z RCY A 121 67.898 8.222 -8.307 1.00 1.00 H new HETATM 0 H1Y RCY A 121 67.541 10.085 -6.727 1.00 1.00 H new HETATM 0 H1V RCY A 121 64.191 10.334 -6.177 1.00 1.00 H new HETATM 0 H1U RCY A 121 62.680 8.833 -8.217 1.00 1.00 H new HETATM 0 H1S RCY A 121 65.567 5.424 -10.373 1.00 1.00 H new HETATM 0 H1C RCY A 121 63.763 6.792 -5.096 1.00 1.00 H new HETATM 1328 C1C RCY A 130 83.326 6.151 -3.704 1.00 1.00 C HETATM 1329 O1G RCY A 130 82.322 8.219 -8.718 1.00 1.00 O HETATM 1330 O1H RCY A 130 83.063 8.901 -4.104 1.00 1.00 O HETATM 1331 O1J RCY A 130 84.969 3.735 -4.433 1.00 1.00 O HETATM 1332 C1L RCY A 130 82.093 10.167 -7.255 1.00 1.00 C HETATM 1333 C1M RCY A 130 84.036 6.062 -7.335 1.00 1.00 C HETATM 1334 C1P RCY A 130 82.387 8.698 -7.587 1.00 1.00 C HETATM 1335 C1Q RCY A 130 82.579 8.937 -5.234 1.00 1.00 C HETATM 1336 N1R RCY A 130 82.768 7.905 -6.338 1.00 1.00 N HETATM 1337 C1S RCY A 130 81.676 10.025 -5.787 1.00 1.00 C HETATM 1338 C1U RCY A 130 83.225 6.449 -6.217 1.00 1.00 C HETATM 1339 C1V RCY A 130 85.261 7.234 -4.933 1.00 1.00 C HETATM 1340 N1V RCY A 130 84.680 4.834 -5.349 1.00 1.00 N HETATM 1341 C1W RCY A 130 84.864 4.859 -6.865 1.00 1.00 C HETATM 1342 C1X RCY A 130 84.127 6.210 -5.007 1.00 1.00 C HETATM 1343 C1Y RCY A 130 86.341 5.049 -7.222 1.00 1.00 C HETATM 1344 C1Z RCY A 130 84.331 3.553 -7.456 1.00 1.00 C HETATM 0 H1ZB RCY A 130 83.298 3.406 -7.142 1.00 1.00 H new HETATM 0 H1VB RCY A 130 84.846 8.224 -4.743 1.00 1.00 H new HETATM 0 H1VA RCY A 130 85.942 6.965 -4.126 1.00 1.00 H new HETATM 0 H1MA RCY A 130 83.417 5.798 -8.192 1.00 1.00 H new HETATM 0 H1LA RCY A 130 82.967 10.806 -7.381 1.00 1.00 H new HETATM 0 H1CB RCY A 130 82.800 7.094 -3.557 1.00 1.00 H new HETATM 0 H1CA RCY A 130 82.603 5.337 -3.758 1.00 1.00 H new HETATM 0 H1V RCY A 130 85.804 7.244 -5.878 1.00 1.00 H new HETATM 0 H1U RCY A 130 82.297 5.881 -6.145 1.00 1.00 H new HETATM 0 H1S RCY A 130 80.625 9.750 -5.699 1.00 1.00 H new HETATM 0 H1M RCY A 130 84.683 6.881 -7.649 1.00 1.00 H new HETATM 0 H1L RCY A 130 81.300 10.585 -7.876 1.00 1.00 H new HETATM 0 H1C RCY A 130 84.004 5.980 -2.868 1.00 1.00 H new HETATM 1347 C1C RCY A 138 86.230 1.270 0.530 1.00 1.00 C HETATM 1348 O1G RCY A 138 84.937 1.860 -4.148 1.00 1.00 O HETATM 1349 O1H RCY A 138 88.487 2.465 -1.093 1.00 1.00 O HETATM 1350 O1J RCY A 138 83.273 1.444 -0.011 1.00 1.00 O HETATM 1351 C1L RCY A 138 86.503 3.695 -3.743 1.00 1.00 C HETATM 1352 C1M RCY A 138 85.334 -0.514 -2.585 1.00 1.00 C HETATM 1353 C1P RCY A 138 85.864 2.325 -3.486 1.00 1.00 C HETATM 1354 C1Q RCY A 138 87.502 2.661 -1.803 1.00 1.00 C HETATM 1355 N1R RCY A 138 86.521 1.609 -2.307 1.00 1.00 N HETATM 1356 C1S RCY A 138 87.037 4.002 -2.339 1.00 1.00 C HETATM 1357 C1U RCY A 138 86.269 0.201 -1.765 1.00 1.00 C HETATM 1358 C1V RCY A 138 85.642 -1.181 0.262 1.00 1.00 C HETATM 1359 N1V RCY A 138 84.192 0.589 -0.757 1.00 1.00 N HETATM 1360 C1W RCY A 138 83.938 -0.121 -2.085 1.00 1.00 C HETATM 1361 C1X RCY A 138 85.617 0.206 -0.383 1.00 1.00 C HETATM 1362 C1Y RCY A 138 83.073 -1.366 -1.870 1.00 1.00 C HETATM 1363 C1Z RCY A 138 83.256 0.850 -3.049 1.00 1.00 C HETATM 0 H1ZB RCY A 138 83.858 1.754 -3.142 1.00 1.00 H new HETATM 0 H1ZA RCY A 138 83.154 0.380 -4.027 1.00 1.00 H new HETATM 0 H1YB RCY A 138 82.972 -1.906 -2.812 1.00 1.00 H new HETATM 0 H1YA RCY A 138 83.544 -2.013 -1.130 1.00 1.00 H new HETATM 0 H1VB RCY A 138 86.673 -1.465 0.473 1.00 1.00 H new HETATM 0 H1VA RCY A 138 85.073 -1.160 1.192 1.00 1.00 H new HETATM 0 H1MA RCY A 138 85.459 -0.253 -3.636 1.00 1.00 H new HETATM 0 H1LA RCY A 138 87.295 3.653 -4.491 1.00 1.00 H new HETATM 0 H1CB RCY A 138 87.295 1.073 0.655 1.00 1.00 H new HETATM 0 H1CA RCY A 138 86.093 2.255 0.084 1.00 1.00 H new HETATM 0 H1Z RCY A 138 82.269 1.109 -2.666 1.00 1.00 H new HETATM 0 H1Y RCY A 138 82.087 -1.067 -1.515 1.00 1.00 H new HETATM 0 H1V RCY A 138 85.198 -1.907 -0.419 1.00 1.00 H new HETATM 0 H1U RCY A 138 87.257 -0.259 -1.742 1.00 1.00 H new HETATM 0 H1S RCY A 138 86.262 4.434 -1.706 1.00 1.00 H new HETATM 0 H1M RCY A 138 85.488 -1.590 -2.503 1.00 1.00 H new HETATM 0 H1L RCY A 138 85.780 4.435 -4.086 1.00 1.00 H new HETATM 0 H1C RCY A 138 85.739 1.241 1.503 1.00 1.00 H new HETATM 1366 C1C RCY A 150 79.843 -4.901 2.980 1.00 1.00 C HETATM 1367 O1G RCY A 150 81.960 -4.210 1.498 1.00 1.00 O HETATM 1368 O1H RCY A 150 83.727 -8.590 1.486 1.00 1.00 O HETATM 1369 O1J RCY A 150 78.360 -6.511 5.048 1.00 1.00 O HETATM 1370 C1L RCY A 150 84.002 -5.190 0.572 1.00 1.00 C HETATM 1371 C1M RCY A 150 81.427 -8.206 3.490 1.00 1.00 C HETATM 1372 C1P RCY A 150 82.681 -5.196 1.352 1.00 1.00 C HETATM 1373 C1Q RCY A 150 83.621 -7.366 1.548 1.00 1.00 C HETATM 1374 N1R RCY A 150 82.372 -6.579 1.923 1.00 1.00 N HETATM 1375 C1S RCY A 150 84.718 -6.357 1.261 1.00 1.00 C HETATM 1376 C1U RCY A 150 81.132 -7.060 2.680 1.00 1.00 C HETATM 1377 C1V RCY A 150 81.724 -5.489 4.576 1.00 1.00 C HETATM 1378 N1V RCY A 150 79.652 -6.894 4.485 1.00 1.00 N HETATM 1379 C1W RCY A 150 80.344 -8.252 4.576 1.00 1.00 C HETATM 1380 C1X RCY A 150 80.608 -6.028 3.677 1.00 1.00 C HETATM 1381 C1Y RCY A 150 80.975 -8.441 5.958 1.00 1.00 C HETATM 1382 C1Z RCY A 150 79.323 -9.354 4.295 1.00 1.00 C HETATM 0 H1ZB RCY A 150 78.843 -9.169 3.334 1.00 1.00 H new HETATM 0 H1ZA RCY A 150 79.828 -10.320 4.268 1.00 1.00 H new HETATM 0 H1YB RCY A 150 81.535 -9.376 5.978 1.00 1.00 H new HETATM 0 H1YA RCY A 150 81.649 -7.610 6.167 1.00 1.00 H new HETATM 0 H1VB RCY A 150 82.431 -4.917 3.975 1.00 1.00 H new HETATM 0 H1VA RCY A 150 81.294 -4.844 5.342 1.00 1.00 H new HETATM 0 H1MA RCY A 150 81.418 -9.118 2.893 1.00 1.00 H new HETATM 0 H1LA RCY A 150 83.858 -5.360 -0.495 1.00 1.00 H new HETATM 0 H1Z RCY A 150 78.569 -9.361 5.082 1.00 1.00 H new HETATM 0 H1Y RCY A 150 80.191 -8.471 6.715 1.00 1.00 H new HETATM 0 H1V RCY A 150 82.242 -6.322 5.052 1.00 1.00 H new HETATM 0 H1U RCY A 150 80.403 -7.267 1.897 1.00 1.00 H new HETATM 0 H1S RCY A 150 85.209 -6.034 2.179 1.00 1.00 H new HETATM 0 H1M RCY A 150 82.420 -8.125 3.933 1.00 1.00 H new HETATM 0 H1L RCY A 150 84.543 -4.249 0.674 1.00 1.00 H new HETATM 0 H1C RCY A 150 79.487 -4.188 3.724 1.00 1.00 H new HETATM 1385 C1C RCY A 160 79.034 -2.230 -0.113 1.00 1.00 C HETATM 1386 O1G RCY A 160 78.346 -1.190 -2.381 1.00 1.00 O HETATM 1387 O1H RCY A 160 77.817 -5.703 -3.668 1.00 1.00 O HETATM 1388 O1J RCY A 160 76.755 -0.301 -0.507 1.00 1.00 O HETATM 1389 C1L RCY A 160 78.803 -2.405 -4.455 1.00 1.00 C HETATM 1390 C1M RCY A 160 75.929 -4.004 -1.065 1.00 1.00 C HETATM 1391 C1P RCY A 160 78.363 -2.257 -2.993 1.00 1.00 C HETATM 1392 C1Q RCY A 160 78.267 -4.567 -3.524 1.00 1.00 C HETATM 1393 N1R RCY A 160 77.947 -3.598 -2.392 1.00 1.00 N HETATM 1394 C1S RCY A 160 79.250 -3.870 -4.447 1.00 1.00 C HETATM 1395 C1U RCY A 160 77.360 -3.902 -1.013 1.00 1.00 C HETATM 1396 C1V RCY A 160 77.284 -3.227 1.426 1.00 1.00 C HETATM 1397 N1V RCY A 160 76.603 -1.753 -0.480 1.00 1.00 N HETATM 1398 C1W RCY A 160 75.394 -2.573 -0.927 1.00 1.00 C HETATM 1399 C1X RCY A 160 77.613 -2.786 -0.001 1.00 1.00 C HETATM 1400 C1Y RCY A 160 74.286 -2.512 0.128 1.00 1.00 C HETATM 1401 C1Z RCY A 160 74.892 -2.036 -2.267 1.00 1.00 C HETATM 0 H1ZB RCY A 160 75.710 -2.032 -2.987 1.00 1.00 H new HETATM 0 H1ZA RCY A 160 74.088 -2.672 -2.636 1.00 1.00 H new HETATM 0 H1YB RCY A 160 73.467 -3.168 -0.166 1.00 1.00 H new HETATM 0 H1YA RCY A 160 74.682 -2.835 1.091 1.00 1.00 H new HETATM 0 H1VB RCY A 160 77.980 -4.006 1.736 1.00 1.00 H new HETATM 0 H1VA RCY A 160 77.371 -2.374 2.099 1.00 1.00 H new HETATM 0 H1MA RCY A 160 75.604 -4.452 -2.004 1.00 1.00 H new HETATM 0 H1LA RCY A 160 77.989 -2.221 -5.156 1.00 1.00 H new HETATM 0 H1CB RCY A 160 79.753 -3.028 0.071 1.00 1.00 H new HETATM 0 H1CA RCY A 160 79.189 -1.826 -1.114 1.00 1.00 H new HETATM 0 H1Z RCY A 160 74.519 -1.020 -2.135 1.00 1.00 H new HETATM 0 H1Y RCY A 160 73.919 -1.489 0.212 1.00 1.00 H new HETATM 0 H1V RCY A 160 76.266 -3.615 1.461 1.00 1.00 H new HETATM 0 H1U RCY A 160 77.845 -4.832 -0.715 1.00 1.00 H new HETATM 0 H1S RCY A 160 80.273 -3.970 -4.084 1.00 1.00 H new HETATM 0 H1M RCY A 160 75.554 -4.639 -0.262 1.00 1.00 H new HETATM 0 H1L RCY A 160 79.612 -1.723 -4.719 1.00 1.00 H new HETATM 0 H1C RCY A 160 79.174 -1.439 0.623 1.00 1.00 H new HETATM 1404 C1C RCY A 168 70.449 -1.859 -3.308 1.00 1.00 C HETATM 1405 O1G RCY A 168 72.398 -3.769 1.371 1.00 1.00 O HETATM 1406 O1H RCY A 168 73.126 -3.300 -3.271 1.00 1.00 O HETATM 1407 O1J RCY A 168 69.767 1.003 -2.668 1.00 1.00 O HETATM 1408 C1L RCY A 168 73.725 -5.031 -0.252 1.00 1.00 C HETATM 1409 C1M RCY A 168 71.907 -0.829 -0.066 1.00 1.00 C HETATM 1410 C1P RCY A 168 72.754 -3.935 0.206 1.00 1.00 C HETATM 1411 C1Q RCY A 168 72.926 -3.778 -2.156 1.00 1.00 C HETATM 1412 N1R RCY A 168 72.283 -3.075 -0.966 1.00 1.00 N HETATM 1413 C1S RCY A 168 73.277 -5.186 -1.709 1.00 1.00 C HETATM 1414 C1U RCY A 168 71.396 -1.829 -0.960 1.00 1.00 C HETATM 1415 C1V RCY A 168 72.755 -0.896 -2.881 1.00 1.00 C HETATM 1416 N1V RCY A 168 70.723 0.201 -1.910 1.00 1.00 N HETATM 1417 C1W RCY A 168 71.315 0.506 -0.536 1.00 1.00 C HETATM 1418 C1X RCY A 168 71.352 -1.125 -2.315 1.00 1.00 C HETATM 1419 C1Y RCY A 168 72.411 1.570 -0.649 1.00 1.00 C HETATM 1420 C1Z RCY A 168 70.200 0.978 0.397 1.00 1.00 C HETATM 0 H1ZB RCY A 168 69.404 0.234 0.418 1.00 1.00 H new HETATM 0 H1ZA RCY A 168 70.599 1.111 1.403 1.00 1.00 H new HETATM 0 H1VB RCY A 168 73.214 -1.857 -3.114 1.00 1.00 H new HETATM 0 H1VA RCY A 168 72.688 -0.296 -3.789 1.00 1.00 H new HETATM 0 H1MA RCY A 168 71.618 -1.042 0.963 1.00 1.00 H new HETATM 0 H1LA RCY A 168 74.768 -4.727 -0.166 1.00 1.00 H new HETATM 0 H1CB RCY A 168 70.823 -2.871 -3.461 1.00 1.00 H new HETATM 0 H1CA RCY A 168 69.434 -1.903 -2.913 1.00 1.00 H new HETATM 0 H1Z RCY A 168 69.801 1.926 0.037 1.00 1.00 H new HETATM 0 H1V RCY A 168 73.364 -0.372 -2.144 1.00 1.00 H new HETATM 0 H1U RCY A 168 70.413 -2.200 -0.670 1.00 1.00 H new HETATM 0 H1S RCY A 168 72.419 -5.853 -1.791 1.00 1.00 H new HETATM 0 H1M RCY A 168 72.996 -0.803 -0.092 1.00 1.00 H new HETATM 0 H1L RCY A 168 73.614 -5.953 0.319 1.00 1.00 H new HETATM 0 H1C RCY A 168 70.445 -1.326 -4.259 1.00 1.00 H new HETATM 1423 C1C RCY A 173 71.160 4.548 1.905 1.00 1.00 C HETATM 1424 O1G RCY A 173 69.296 2.333 2.041 1.00 1.00 O HETATM 1425 O1H RCY A 173 73.074 -0.426 2.685 1.00 1.00 O HETATM 1426 O1J RCY A 173 72.836 5.714 -0.308 1.00 1.00 O HETATM 1427 C1L RCY A 173 69.611 0.142 3.084 1.00 1.00 C HETATM 1428 C1M RCY A 173 73.058 1.911 0.133 1.00 1.00 C HETATM 1429 C1P RCY A 173 70.048 1.402 2.325 1.00 1.00 C HETATM 1430 C1Q RCY A 173 71.933 -0.033 2.444 1.00 1.00 C HETATM 1431 N1R RCY A 173 71.532 1.357 1.967 1.00 1.00 N HETATM 1432 C1S RCY A 173 70.660 -0.850 2.569 1.00 1.00 C HETATM 1433 C1U RCY A 173 72.402 2.426 1.301 1.00 1.00 C HETATM 1434 C1V RCY A 173 70.398 3.150 -0.068 1.00 1.00 C HETATM 1435 N1V RCY A 173 72.631 4.283 -0.104 1.00 1.00 N HETATM 1436 C1W RCY A 173 73.415 3.129 -0.727 1.00 1.00 C HETATM 1437 C1X RCY A 173 71.589 3.608 0.777 1.00 1.00 C HETATM 1438 C1Y RCY A 173 72.980 2.909 -2.179 1.00 1.00 C HETATM 1439 C1Z RCY A 173 74.909 3.442 -0.654 1.00 1.00 C HETATM 0 H1ZB RCY A 173 75.186 3.654 0.379 1.00 1.00 H new HETATM 0 H1YB RCY A 173 73.486 2.032 -2.582 1.00 1.00 H new HETATM 0 H1YA RCY A 173 71.902 2.754 -2.216 1.00 1.00 H new HETATM 0 H1VB RCY A 173 69.685 2.621 0.564 1.00 1.00 H new HETATM 0 H1VA RCY A 173 69.913 4.018 -0.514 1.00 1.00 H new HETATM 0 H1LA RCY A 173 69.653 0.270 4.166 1.00 1.00 H new HETATM 0 H1CB RCY A 173 70.546 4.001 2.620 1.00 1.00 H new HETATM 0 H1CA RCY A 173 72.044 4.938 2.409 1.00 1.00 H new HETATM 0 H1Z RCY A 173 75.130 4.311 -1.274 1.00 1.00 H new HETATM 0 H1Y RCY A 173 73.242 3.784 -2.774 1.00 1.00 H new HETATM 0 H1V RCY A 173 70.747 2.484 -0.858 1.00 1.00 H new HETATM 0 H1S RCY A 173 70.366 -1.275 1.609 1.00 1.00 H new HETATM 0 H1L RCY A 173 68.593 -0.161 2.839 1.00 1.00 H new HETATM 0 H1C RCY A 173 70.584 5.375 1.490 1.00 1.00 H new HETATM 1442 C1C RCY A 176 77.450 1.259 3.698 1.00 1.00 C HETATM 1443 O1G RCY A 176 79.260 -0.325 4.974 1.00 1.00 O HETATM 1444 O1H RCY A 176 75.920 -2.372 7.611 1.00 1.00 O HETATM 1445 O1J RCY A 176 74.759 2.468 3.095 1.00 1.00 O HETATM 1446 C1L RCY A 176 79.337 -1.818 6.912 1.00 1.00 C HETATM 1447 C1M RCY A 176 74.793 -0.303 5.746 1.00 1.00 C HETATM 1448 C1P RCY A 176 78.656 -0.955 5.841 1.00 1.00 C HETATM 1449 C1Q RCY A 176 76.946 -1.795 7.255 1.00 1.00 C HETATM 1450 N1R RCY A 176 77.135 -0.976 5.984 1.00 1.00 N HETATM 1451 C1S RCY A 176 78.265 -1.769 8.007 1.00 1.00 C HETATM 1452 C1U RCY A 176 76.069 -0.343 5.089 1.00 1.00 C HETATM 1453 C1V RCY A 176 76.689 1.929 6.021 1.00 1.00 C HETATM 1454 N1V RCY A 176 75.013 1.547 4.199 1.00 1.00 N HETATM 1455 C1W RCY A 176 73.986 0.797 5.045 1.00 1.00 C HETATM 1456 C1X RCY A 176 76.361 1.121 4.763 1.00 1.00 C HETATM 1457 C1Y RCY A 176 73.351 1.737 6.073 1.00 1.00 C HETATM 1458 C1Z RCY A 176 72.919 0.203 4.126 1.00 1.00 C HETATM 0 H1ZA RCY A 176 72.234 -0.409 4.712 1.00 1.00 H new HETATM 0 H1YB RCY A 176 72.684 1.169 6.722 1.00 1.00 H new HETATM 0 H1YA RCY A 176 74.133 2.201 6.673 1.00 1.00 H new HETATM 0 H1VB RCY A 176 77.629 1.576 6.446 1.00 1.00 H new HETATM 0 H1VA RCY A 176 76.782 2.984 5.762 1.00 1.00 H new HETATM 0 H1MA RCY A 176 74.286 -1.265 5.671 1.00 1.00 H new HETATM 0 H1LA RCY A 176 79.535 -2.833 6.567 1.00 1.00 H new HETATM 0 H1CA RCY A 176 77.129 0.762 2.783 1.00 1.00 H new HETATM 0 H1Z RCY A 176 72.365 1.008 3.644 1.00 1.00 H new HETATM 0 H1Y RCY A 176 72.783 2.511 5.556 1.00 1.00 H new HETATM 0 H1V RCY A 176 75.891 1.804 6.752 1.00 1.00 H new HETATM 0 H1U RCY A 176 76.070 -0.962 4.192 1.00 1.00 H new HETATM 0 H1S RCY A 176 78.358 -0.867 8.613 1.00 1.00 H new HETATM 0 H1M RCY A 176 74.908 -0.085 6.808 1.00 1.00 H new HETATM 0 H1L RCY A 176 80.289 -1.401 7.241 1.00 1.00 H new HETATM 1461 C1C RCY A 187 77.078 4.940 0.518 1.00 1.00 C HETATM 1462 O1G RCY A 187 74.247 2.061 -0.296 1.00 1.00 O HETATM 1463 O1H RCY A 187 75.907 3.678 3.818 1.00 1.00 O HETATM 1464 O1J RCY A 187 78.264 5.181 3.276 1.00 1.00 O HETATM 1465 C1L RCY A 187 73.166 2.902 1.732 1.00 1.00 C HETATM 1466 C1M RCY A 187 77.866 1.612 1.931 1.00 1.00 C HETATM 1467 C1P RCY A 187 74.353 2.486 0.853 1.00 1.00 C HETATM 1468 C1Q RCY A 187 75.229 3.099 2.972 1.00 1.00 C HETATM 1469 N1R RCY A 187 75.683 2.667 1.583 1.00 1.00 N HETATM 1470 C1S RCY A 187 73.778 2.681 3.120 1.00 1.00 C HETATM 1471 C1U RCY A 187 77.108 2.468 1.063 1.00 1.00 C HETATM 1472 C1V RCY A 187 79.217 3.606 0.244 1.00 1.00 C HETATM 1473 N1V RCY A 187 78.211 3.937 2.514 1.00 1.00 N HETATM 1474 C1W RCY A 187 78.441 2.517 3.028 1.00 1.00 C HETATM 1475 C1X RCY A 187 77.914 3.765 1.031 1.00 1.00 C HETATM 1476 C1Y RCY A 187 79.937 2.251 3.215 1.00 1.00 C HETATM 1477 C1Z RCY A 187 77.692 2.335 4.348 1.00 1.00 C HETATM 0 H1YB RCY A 187 80.089 1.210 3.500 1.00 1.00 H new HETATM 0 H1YA RCY A 187 80.462 2.451 2.281 1.00 1.00 H new HETATM 0 H1VB RCY A 187 78.988 3.429 -0.807 1.00 1.00 H new HETATM 0 H1VA RCY A 187 79.812 4.515 0.338 1.00 1.00 H new HETATM 0 H1MA RCY A 187 77.234 0.834 2.360 1.00 1.00 H new HETATM 0 H1CB RCY A 187 76.733 4.727 -0.494 1.00 1.00 H new HETATM 0 H1CA RCY A 187 76.218 5.087 1.171 1.00 1.00 H new HETATM 0 H1Z RCY A 187 78.124 2.990 5.105 1.00 1.00 H new HETATM 0 H1Y RCY A 187 80.327 2.902 3.997 1.00 1.00 H new HETATM 0 H1V RCY A 187 79.780 2.761 0.640 1.00 1.00 H new HETATM 0 H1U RCY A 187 76.974 2.054 0.064 1.00 1.00 H new HETATM 0 H1M RCY A 187 78.663 1.109 1.383 1.00 1.00 H new HETATM 0 H1C RCY A 187 77.687 5.844 0.510 1.00 1.00 H new