USER MOD reduce.3.24.130724 H: found=0, std=0, add=774, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 659 hydrogens (20 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 110 RCYH1YB : A 110 RCY C1Y : A 12 SER CB :(H bumps) USER MOD NoAdj-H: A 110 RCYH1YA : A 110 RCY C1Y : A 12 SER CB :(H bumps) USER MOD NoAdj-H: A 110 RCYH1SA : A 110 RCY C1S : A 10 CYS SG :(H bumps) USER MOD NoAdj-H: A 110 RCYH1MA : A 110 RCY C1M : A 11 ARG O :(H bumps) USER MOD NoAdj-H: A 110 RCYH1CB : A 110 RCY C1C : A 11 ARG CD :(H bumps) USER MOD NoAdj-H: A 110 RCYH1CA : A 110 RCY C1C : A 11 ARG CD :(H bumps) USER MOD NoAdj-H: A 110 RCY H1U : A 110 RCY C1U : A 11 ARG CB :(H bumps) USER MOD NoAdj-H: A 110 RCY H1M : A 110 RCY C1M : A 12 SER N :(H bumps) USER MOD NoAdj-H: A 121 RCYH1SA : A 121 RCY C1S : A 21 CYS SG :(H bumps) USER MOD NoAdj-H: A 130 RCYH1ZB : A 130 RCY C1Z : A 32 GLN CB :(H bumps) USER MOD NoAdj-H: A 130 RCYH1ZA : A 130 RCY C1Z : A 32 GLN CB :(H bumps) USER MOD NoAdj-H: A 130 RCYH1YB : A 130 RCY C1Y : A 32 GLN O :(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 RCYH1MA : A 130 RCY C1M : A 32 GLN CA :(H bumps) USER MOD NoAdj-H: A 130 RCY H1Z : A 130 RCY C1Z : A 32 GLN CG :(H bumps) USER MOD NoAdj-H: A 130 RCY H1M : A 130 RCY C1M : A 32 GLN CA :(H bumps) USER MOD NoAdj-H: A 138 RCYH1ZB : A 138 RCY C1Z : A 58 GLU CB :(H bumps) USER MOD NoAdj-H: A 138 RCYH1ZA : A 138 RCY C1Z : A 58 GLU CB :(H bumps) USER MOD NoAdj-H: A 138 RCYH1SA : A 138 RCY C1S : A 38 CYS SG :(H bumps) USER MOD NoAdj-H: A 138 RCYH1CA : A 138 RCY C1C : A 150 RCY C1M :(H bumps) USER MOD NoAdj-H: A 138 RCY H1S : A 138 RCY C1S : A 160 RCY C1M :(H bumps) USER MOD NoAdj-H: A 138 RCY H1C : A 138 RCY C1C : A 150 RCY C1M :(H bumps) USER MOD NoAdj-H: A 150 RCYH1ZB : A 150 RCY C1Z : A 138 RCY O1J :(H bumps) USER MOD NoAdj-H: A 150 RCYH1ZA : A 150 RCY C1Z : A 138 RCY O1J :(H bumps) USER MOD NoAdj-H: A 150 RCYH1SA : A 150 RCY C1S : A 50 CYS SG :(H bumps) USER MOD NoAdj-H: A 150 RCYH1MA : A 150 RCY C1M : A 138 RCY C1C :(H bumps) USER MOD NoAdj-H: A 150 RCYH1LA : A 150 RCY C1L : A 58 GLU CB :(H bumps) USER MOD NoAdj-H: A 150 RCY H1M : A 150 RCY C1M : A 138 RCY C1C :(H bumps) USER MOD NoAdj-H: A 150 RCY H1L : A 150 RCY C1L : A 138 RCY C1Z :(H bumps) USER MOD NoAdj-H: A 160 RCYH1ZA : A 160 RCY C1Z : A 138 RCY O1H :(H bumps) USER MOD NoAdj-H: A 160 RCYH1SA : A 160 RCY C1S : A 60 CYS SG :(H bumps) USER MOD NoAdj-H: A 160 RCYH1MA : A 160 RCY C1M : A 138 RCY C1Q :(H bumps) USER MOD NoAdj-H: A 160 RCY H1M : A 160 RCY C1M : A 138 RCY C1S :(H bumps) USER MOD NoAdj-H: A 168 RCYH1SA : A 168 RCY C1S : A 68 CYS SG :(H bumps) USER MOD NoAdj-H: A 173 RCYH1ZB : A 173 RCY C1Z : A 176 RCY N1V :(H bumps) USER MOD NoAdj-H: A 173 RCYH1ZA : A 173 RCY C1Z : A 176 RCY C1Z :(H bumps) USER MOD NoAdj-H: A 173 RCYH1VB : A 173 RCY C1V : A 176 RCY C1V :(H bumps) USER MOD NoAdj-H: A 173 RCYH1VA : A 173 RCY C1V : A 69 PRO C :(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 176 RCY C1U :(H bumps) USER MOD NoAdj-H: A 173 RCY H1Z : A 173 RCY C1Z : A 176 RCY C1Z :(H bumps) USER MOD NoAdj-H: A 173 RCY H1Y : A 173 RCY C1Y : A 176 RCY C1W :(H bumps) USER MOD NoAdj-H: A 173 RCY H1U : A 173 RCY C1U : A 176 RCY C1X :(H bumps) USER MOD NoAdj-H: A 173 RCY H1M : A 173 RCY C1M : A 176 RCY C1U :(H bumps) USER MOD NoAdj-H: A 173 RCY H1C : A 173 RCY C1C : A 70 TRP CA :(H bumps) USER MOD NoAdj-H: A 176 RCYH1ZB : A 176 RCY C1Z : A 173 RCY C1Z :(H bumps) USER MOD NoAdj-H: A 176 RCYH1YA : A 176 RCY C1Y : A 173 RCY N1V :(H bumps) USER MOD NoAdj-H: A 176 RCYH1VB : A 176 RCY C1V : A 173 RCY N1R :(H bumps) USER MOD NoAdj-H: A 176 RCYH1VA : A 176 RCY C1V : A 173 RCY C1U :(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 RCYH1MA : A 176 RCY C1M : A 187 RCY C1V :(H bumps) USER MOD NoAdj-H: A 176 RCY H1Z : A 176 RCY C1Z : A 173 RCY C1Z :(H bumps) USER MOD NoAdj-H: A 176 RCY H1Y : A 176 RCY C1Y : A 173 RCY N1V :(H bumps) USER MOD NoAdj-H: A 176 RCY H1V : A 176 RCY C1V : A 173 RCY C1X :(H bumps) USER MOD NoAdj-H: A 176 RCY H1U : A 176 RCY C1U : A 187 RCY C1V :(H bumps) USER MOD NoAdj-H: A 187 RCYH1VB : A 187 RCY C1V : A 176 RCY C1U :(H bumps) USER MOD NoAdj-H: A 187 RCYH1VA : A 187 RCY C1V : A 176 RCY C1M :(H bumps) USER MOD NoAdj-H: A 187 RCYH1SA : A 187 RCY C1S : A 87 CYS SG :(H bumps) USER MOD Set 1.1: A 37 GLN : amide:sc= 0.854 K(o=0.38,f=-11!) USER MOD Set 1.2: A 39 LYS NZ :NH3+ -113:sc= -0.474! (180deg=-0.71) USER MOD Single : A 1 MET CE :methyl 167:sc= -1.08! (180deg=-1.43!) USER MOD Single : A 1 MET N :NH3+ -122:sc= -0.281! (180deg=-2.83!) USER MOD Single : A 2 ASN :FLIP amide:sc= -1.02 F(o=-3!,f=-1) USER MOD Single : A 7 LYS NZ :NH3+ 155:sc= -0.168 (180deg=-1.02) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -120:sc= -11.2! USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 169:sc= -0.516 (180deg=-0.858) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 GLN :FLIP amide:sc= -0.855! C(o=-1.9!,f=-0.85!) USER MOD Single : A 34 GLN : amide:sc= -0.327 X(o=-0.33,f=0) USER MOD Single : A 35 THR OG1 : rot -80:sc=-0.000963 USER MOD Single : A 40 SER OG : rot 180:sc= -0.173 USER MOD Single : A 41 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0758) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ -132:sc= -2.37 (180deg=-5.07!) USER MOD Single : A 48 GLN : amide:sc= -1.92! C(o=-1.9!,f=-2.1!) USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= -0.0437 USER MOD Single : A 65 THR OG1 : rot -54:sc= 1.06 USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 75 HIS : no HD1:sc= -0.174 K(o=-0.17,f=-0.99) USER MOD Single : A 79 HIS : no HD1:sc= -0.399 X(o=-0.4,f=-0.16) USER MOD Single : A 83 GLN :FLIP amide:sc= -0.0836 F(o=-2.9!,f=-0.084) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 58.609 8.286 -3.525 1.00 1.00 N ATOM 2 CA MET A 1 59.105 8.448 -2.129 1.00 1.00 C ATOM 3 C MET A 1 58.368 9.609 -1.458 1.00 1.00 C ATOM 4 O MET A 1 58.080 9.572 -0.278 1.00 1.00 O ATOM 5 CB MET A 1 60.607 8.742 -2.152 1.00 1.00 C ATOM 6 CG MET A 1 61.337 7.614 -2.884 1.00 1.00 C ATOM 7 SD MET A 1 61.070 7.779 -4.666 1.00 1.00 S ATOM 8 CE MET A 1 60.521 6.082 -4.972 1.00 1.00 C ATOM 0 H1 MET A 1 58.235 7.324 -3.651 1.00 1.00 H new ATOM 0 H2 MET A 1 57.854 8.977 -3.708 1.00 1.00 H new ATOM 0 H3 MET A 1 59.391 8.444 -4.192 1.00 1.00 H new ATOM 0 HA MET A 1 58.923 7.530 -1.570 1.00 1.00 H new ATOM 0 HB2 MET A 1 60.794 9.694 -2.649 1.00 1.00 H new ATOM 0 HB3 MET A 1 60.986 8.834 -1.134 1.00 1.00 H new ATOM 0 HG2 MET A 1 62.403 7.651 -2.660 1.00 1.00 H new ATOM 0 HG3 MET A 1 60.972 6.646 -2.539 1.00 1.00 H new ATOM 0 HE1 MET A 1 60.081 6.016 -5.967 1.00 1.00 H new ATOM 0 HE2 MET A 1 61.374 5.406 -4.906 1.00 1.00 H new ATOM 0 HE3 MET A 1 59.777 5.801 -4.227 1.00 1.00 H new ATOM 17 N ASN A 2 58.060 10.639 -2.203 1.00 1.00 N ATOM 18 CA ASN A 2 57.340 11.808 -1.616 1.00 1.00 C ATOM 19 C ASN A 2 56.084 12.099 -2.441 1.00 1.00 C ATOM 20 O ASN A 2 54.998 11.666 -2.110 1.00 1.00 O ATOM 21 CB ASN A 2 58.257 13.034 -1.637 1.00 1.00 C ATOM 22 CG ASN A 2 59.404 12.832 -0.645 1.00 1.00 C ATOM 23 OD1 ASN A 2 59.432 11.754 0.090 1.00 1.00 O flip ATOM 24 ND2 ASN A 2 60.284 13.662 -0.538 1.00 1.00 N flip ATOM 0 H ASN A 2 58.277 10.721 -3.196 1.00 1.00 H new ATOM 0 HA ASN A 2 57.057 11.582 -0.588 1.00 1.00 H new ATOM 0 HB2 ASN A 2 58.653 13.187 -2.641 1.00 1.00 H new ATOM 0 HB3 ASN A 2 57.691 13.929 -1.377 1.00 1.00 H new ATOM 0 HD21 ASN A 2 60.263 14.505 -1.112 1.00 1.00 H new ATOM 0 HD22 ASN A 2 61.044 13.516 0.126 1.00 1.00 H new ATOM 31 N LEU A 3 56.224 12.829 -3.514 1.00 1.00 N ATOM 32 CA LEU A 3 55.038 13.148 -4.361 1.00 1.00 C ATOM 33 C LEU A 3 55.508 13.530 -5.768 1.00 1.00 C ATOM 34 O LEU A 3 54.720 13.665 -6.682 1.00 1.00 O ATOM 35 CB LEU A 3 54.267 14.319 -3.738 1.00 1.00 C ATOM 36 CG LEU A 3 52.950 14.529 -4.486 1.00 1.00 C ATOM 37 CD1 LEU A 3 51.777 14.250 -3.545 1.00 1.00 C ATOM 38 CD2 LEU A 3 52.871 15.974 -4.983 1.00 1.00 C ATOM 0 H LEU A 3 57.108 13.219 -3.841 1.00 1.00 H new ATOM 0 HA LEU A 3 54.385 12.277 -4.421 1.00 1.00 H new ATOM 0 HB2 LEU A 3 54.070 14.117 -2.685 1.00 1.00 H new ATOM 0 HB3 LEU A 3 54.869 15.227 -3.781 1.00 1.00 H new ATOM 0 HG LEU A 3 52.903 13.848 -5.336 1.00 1.00 H new ATOM 0 HD11 LEU A 3 50.839 14.400 -4.079 1.00 1.00 H new ATOM 0 HD12 LEU A 3 51.832 13.221 -3.190 1.00 1.00 H new ATOM 0 HD13 LEU A 3 51.823 14.930 -2.694 1.00 1.00 H new ATOM 0 HD21 LEU A 3 51.932 16.125 -5.516 1.00 1.00 H new ATOM 0 HD22 LEU A 3 52.918 16.654 -4.133 1.00 1.00 H new ATOM 0 HD23 LEU A 3 53.706 16.174 -5.655 1.00 1.00 H new ATOM 50 N GLU A 4 56.788 13.701 -5.949 1.00 1.00 N ATOM 51 CA GLU A 4 57.307 14.070 -7.297 1.00 1.00 C ATOM 52 C GLU A 4 57.216 12.848 -8.220 1.00 1.00 C ATOM 53 O GLU A 4 57.231 11.722 -7.766 1.00 1.00 O ATOM 54 CB GLU A 4 58.768 14.517 -7.169 1.00 1.00 C ATOM 55 CG GLU A 4 58.818 15.991 -6.764 1.00 1.00 C ATOM 56 CD GLU A 4 58.461 16.865 -7.968 1.00 1.00 C ATOM 57 OE1 GLU A 4 59.351 17.151 -8.752 1.00 1.00 O ATOM 58 OE2 GLU A 4 57.304 17.233 -8.085 1.00 1.00 O ATOM 0 H GLU A 4 57.497 13.601 -5.223 1.00 1.00 H new ATOM 0 HA GLU A 4 56.716 14.885 -7.715 1.00 1.00 H new ATOM 0 HB2 GLU A 4 59.282 13.907 -6.426 1.00 1.00 H new ATOM 0 HB3 GLU A 4 59.288 14.371 -8.116 1.00 1.00 H new ATOM 0 HG2 GLU A 4 58.122 16.178 -5.947 1.00 1.00 H new ATOM 0 HG3 GLU A 4 59.813 16.245 -6.399 1.00 1.00 H new ATOM 65 N PRO A 5 57.120 13.068 -9.508 1.00 1.00 N ATOM 66 CA PRO A 5 57.023 11.962 -10.508 1.00 1.00 C ATOM 67 C PRO A 5 58.227 11.008 -10.431 1.00 1.00 C ATOM 68 O PRO A 5 59.333 11.379 -10.769 1.00 1.00 O ATOM 69 CB PRO A 5 56.991 12.682 -11.868 1.00 1.00 C ATOM 70 CG PRO A 5 57.461 14.075 -11.604 1.00 1.00 C ATOM 71 CD PRO A 5 57.100 14.389 -10.152 1.00 1.00 C ATOM 0 HA PRO A 5 56.146 11.339 -10.334 1.00 1.00 H new ATOM 0 HB2 PRO A 5 57.637 12.182 -12.590 1.00 1.00 H new ATOM 0 HB3 PRO A 5 55.985 12.682 -12.287 1.00 1.00 H new ATOM 0 HG2 PRO A 5 58.536 14.158 -11.763 1.00 1.00 H new ATOM 0 HG3 PRO A 5 56.983 14.781 -12.284 1.00 1.00 H new ATOM 0 HD2 PRO A 5 57.819 15.070 -9.697 1.00 1.00 H new ATOM 0 HD3 PRO A 5 56.120 14.861 -10.073 1.00 1.00 H new ATOM 79 N PRO A 6 58.020 9.789 -9.987 1.00 1.00 N ATOM 80 CA PRO A 6 59.114 8.786 -9.869 1.00 1.00 C ATOM 81 C PRO A 6 59.409 8.089 -11.202 1.00 1.00 C ATOM 82 O PRO A 6 58.530 7.884 -12.015 1.00 1.00 O ATOM 83 CB PRO A 6 58.561 7.789 -8.851 1.00 1.00 C ATOM 84 CG PRO A 6 57.079 7.829 -9.042 1.00 1.00 C ATOM 85 CD PRO A 6 56.729 9.234 -9.547 1.00 1.00 C ATOM 0 HA PRO A 6 60.060 9.239 -9.573 1.00 1.00 H new ATOM 0 HB2 PRO A 6 58.955 6.788 -9.024 1.00 1.00 H new ATOM 0 HB3 PRO A 6 58.836 8.069 -7.834 1.00 1.00 H new ATOM 0 HG2 PRO A 6 56.762 7.072 -9.759 1.00 1.00 H new ATOM 0 HG3 PRO A 6 56.564 7.617 -8.105 1.00 1.00 H new ATOM 0 HD2 PRO A 6 56.011 9.196 -10.367 1.00 1.00 H new ATOM 0 HD3 PRO A 6 56.282 9.841 -8.760 1.00 1.00 H new ATOM 93 N LYS A 7 60.641 7.722 -11.430 1.00 1.00 N ATOM 94 CA LYS A 7 60.989 7.037 -12.707 1.00 1.00 C ATOM 95 C LYS A 7 60.500 5.588 -12.654 1.00 1.00 C ATOM 96 O LYS A 7 61.208 4.698 -12.226 1.00 1.00 O ATOM 97 CB LYS A 7 62.508 7.063 -12.901 1.00 1.00 C ATOM 98 CG LYS A 7 63.199 6.835 -11.555 1.00 1.00 C ATOM 99 CD LYS A 7 64.653 6.423 -11.791 1.00 1.00 C ATOM 100 CE LYS A 7 65.403 7.564 -12.482 1.00 1.00 C ATOM 101 NZ LYS A 7 65.121 8.844 -11.773 1.00 1.00 N ATOM 0 H LYS A 7 61.420 7.867 -10.788 1.00 1.00 H new ATOM 0 HA LYS A 7 60.510 7.550 -13.541 1.00 1.00 H new ATOM 0 HB2 LYS A 7 62.808 6.292 -13.611 1.00 1.00 H new ATOM 0 HB3 LYS A 7 62.815 8.020 -13.322 1.00 1.00 H new ATOM 0 HG2 LYS A 7 63.160 7.745 -10.956 1.00 1.00 H new ATOM 0 HG3 LYS A 7 62.677 6.061 -10.993 1.00 1.00 H new ATOM 0 HD2 LYS A 7 65.132 6.181 -10.842 1.00 1.00 H new ATOM 0 HD3 LYS A 7 64.692 5.524 -12.406 1.00 1.00 H new ATOM 0 HE2 LYS A 7 66.474 7.363 -12.480 1.00 1.00 H new ATOM 0 HE3 LYS A 7 65.094 7.638 -13.525 1.00 1.00 H new ATOM 0 HZ1 LYS A 7 65.903 9.510 -11.936 1.00 1.00 H new ATOM 0 HZ2 LYS A 7 64.236 9.254 -12.135 1.00 1.00 H new ATOM 0 HZ3 LYS A 7 65.027 8.663 -10.753 1.00 1.00 H new ATOM 115 N ALA A 8 59.293 5.344 -13.084 1.00 1.00 N ATOM 116 CA ALA A 8 58.756 3.954 -13.055 1.00 1.00 C ATOM 117 C ALA A 8 59.526 3.084 -14.051 1.00 1.00 C ATOM 118 O ALA A 8 59.501 3.315 -15.243 1.00 1.00 O ATOM 119 CB ALA A 8 57.274 3.973 -13.435 1.00 1.00 C ATOM 0 H ALA A 8 58.654 6.048 -13.455 1.00 1.00 H new ATOM 0 HA ALA A 8 58.871 3.543 -12.052 1.00 1.00 H new ATOM 0 HB1 ALA A 8 56.880 2.957 -13.414 1.00 1.00 H new ATOM 0 HB2 ALA A 8 56.724 4.590 -12.724 1.00 1.00 H new ATOM 0 HB3 ALA A 8 57.161 4.386 -14.438 1.00 1.00 H new ATOM 125 N GLU A 9 60.208 2.079 -13.568 1.00 1.00 N ATOM 126 CA GLU A 9 60.980 1.184 -14.479 1.00 1.00 C ATOM 127 C GLU A 9 60.876 -0.256 -13.972 1.00 1.00 C ATOM 128 O GLU A 9 61.810 -0.798 -13.415 1.00 1.00 O ATOM 129 CB GLU A 9 62.449 1.616 -14.496 1.00 1.00 C ATOM 130 CG GLU A 9 62.610 2.847 -15.390 1.00 1.00 C ATOM 131 CD GLU A 9 62.488 2.432 -16.858 1.00 1.00 C ATOM 132 OE1 GLU A 9 63.133 1.467 -17.235 1.00 1.00 O ATOM 133 OE2 GLU A 9 61.753 3.085 -17.579 1.00 1.00 O ATOM 0 H GLU A 9 60.264 1.839 -12.578 1.00 1.00 H new ATOM 0 HA GLU A 9 60.574 1.248 -15.489 1.00 1.00 H new ATOM 0 HB2 GLU A 9 62.784 1.843 -13.484 1.00 1.00 H new ATOM 0 HB3 GLU A 9 63.074 0.802 -14.864 1.00 1.00 H new ATOM 0 HG2 GLU A 9 61.849 3.588 -15.146 1.00 1.00 H new ATOM 0 HG3 GLU A 9 63.579 3.314 -15.213 1.00 1.00 H new ATOM 140 N CYS A 10 59.743 -0.878 -14.155 1.00 1.00 N ATOM 141 CA CYS A 10 59.574 -2.279 -13.678 1.00 1.00 C ATOM 142 C CYS A 10 59.873 -2.345 -12.179 1.00 1.00 C ATOM 143 O CYS A 10 60.182 -1.350 -11.554 1.00 1.00 O ATOM 144 CB CYS A 10 60.538 -3.198 -14.434 1.00 1.00 C ATOM 145 SG CYS A 10 59.956 -4.908 -14.318 1.00 1.00 S ATOM 0 H CYS A 10 58.926 -0.475 -14.615 1.00 1.00 H new ATOM 0 HA CYS A 10 58.549 -2.604 -13.859 1.00 1.00 H new ATOM 0 HB2 CYS A 10 60.603 -2.895 -15.479 1.00 1.00 H new ATOM 0 HB3 CYS A 10 61.541 -3.115 -14.015 1.00 1.00 H new ATOM 150 N ARG A 11 59.783 -3.509 -11.596 1.00 1.00 N ATOM 151 CA ARG A 11 60.061 -3.633 -10.138 1.00 1.00 C ATOM 152 C ARG A 11 59.263 -2.567 -9.379 1.00 1.00 C ATOM 153 O ARG A 11 59.816 -1.647 -8.810 1.00 1.00 O ATOM 154 CB ARG A 11 61.564 -3.443 -9.888 1.00 1.00 C ATOM 155 CG ARG A 11 61.988 -4.266 -8.670 1.00 1.00 C ATOM 156 CD ARG A 11 61.223 -3.783 -7.436 1.00 1.00 C ATOM 157 NE ARG A 11 61.810 -4.402 -6.214 1.00 1.00 N ATOM 158 CZ ARG A 11 62.892 -3.900 -5.684 1.00 1.00 C ATOM 159 NH1 ARG A 11 63.460 -2.856 -6.223 1.00 1.00 N ATOM 160 NH2 ARG A 11 63.406 -4.442 -4.614 1.00 1.00 N ATOM 0 H ARG A 11 59.529 -4.378 -12.066 1.00 1.00 H new ATOM 0 HA ARG A 11 59.764 -4.621 -9.787 1.00 1.00 H new ATOM 0 HB2 ARG A 11 62.131 -3.754 -10.765 1.00 1.00 H new ATOM 0 HB3 ARG A 11 61.785 -2.389 -9.722 1.00 1.00 H new ATOM 0 HG2 ARG A 11 61.788 -5.323 -8.844 1.00 1.00 H new ATOM 0 HG3 ARG A 11 63.061 -4.168 -8.507 1.00 1.00 H new ATOM 0 HD2 ARG A 11 61.273 -2.696 -7.366 1.00 1.00 H new ATOM 0 HD3 ARG A 11 60.169 -4.049 -7.521 1.00 1.00 H new ATOM 0 HE ARG A 11 61.366 -5.218 -5.792 1.00 1.00 H new ATOM 0 HH11 ARG A 11 63.058 -2.432 -7.059 1.00 1.00 H new ATOM 0 HH12 ARG A 11 64.306 -2.464 -5.808 1.00 1.00 H new ATOM 0 HH21 ARG A 11 62.962 -5.258 -4.192 1.00 1.00 H new ATOM 0 HH22 ARG A 11 64.252 -4.050 -4.200 1.00 1.00 H new ATOM 174 N SER A 12 57.963 -2.685 -9.369 1.00 1.00 N ATOM 175 CA SER A 12 57.127 -1.682 -8.650 1.00 1.00 C ATOM 176 C SER A 12 55.815 -2.335 -8.214 1.00 1.00 C ATOM 177 O SER A 12 55.241 -1.983 -7.202 1.00 1.00 O ATOM 178 CB SER A 12 56.827 -0.507 -9.582 1.00 1.00 C ATOM 179 OG SER A 12 55.677 0.183 -9.111 1.00 1.00 O ATOM 0 H SER A 12 57.444 -3.433 -9.828 1.00 1.00 H new ATOM 0 HA SER A 12 57.664 -1.321 -7.773 1.00 1.00 H new ATOM 0 HB2 SER A 12 57.681 0.169 -9.620 1.00 1.00 H new ATOM 0 HB3 SER A 12 56.659 -0.867 -10.597 1.00 1.00 H new ATOM 0 HG SER A 12 55.482 0.938 -9.705 1.00 1.00 H new ATOM 185 N ALA A 13 55.336 -3.286 -8.968 1.00 1.00 N ATOM 186 CA ALA A 13 54.063 -3.963 -8.594 1.00 1.00 C ATOM 187 C ALA A 13 54.296 -4.836 -7.360 1.00 1.00 C ATOM 188 O ALA A 13 53.431 -5.579 -6.940 1.00 1.00 O ATOM 189 CB ALA A 13 53.591 -4.839 -9.757 1.00 1.00 C ATOM 0 H ALA A 13 55.771 -3.623 -9.827 1.00 1.00 H new ATOM 0 HA ALA A 13 53.303 -3.214 -8.372 1.00 1.00 H new ATOM 0 HB1 ALA A 13 52.659 -5.335 -9.484 1.00 1.00 H new ATOM 0 HB2 ALA A 13 53.427 -4.218 -10.637 1.00 1.00 H new ATOM 0 HB3 ALA A 13 54.350 -5.589 -9.979 1.00 1.00 H new ATOM 195 N THR A 14 55.460 -4.752 -6.775 1.00 1.00 N ATOM 196 CA THR A 14 55.749 -5.576 -5.568 1.00 1.00 C ATOM 197 C THR A 14 55.078 -4.943 -4.347 1.00 1.00 C ATOM 198 O THR A 14 55.529 -5.094 -3.229 1.00 1.00 O ATOM 199 CB THR A 14 57.265 -5.642 -5.348 1.00 1.00 C ATOM 200 OG1 THR A 14 57.919 -5.755 -6.604 1.00 1.00 O ATOM 201 CG2 THR A 14 57.605 -6.856 -4.482 1.00 1.00 C ATOM 0 H THR A 14 56.223 -4.148 -7.081 1.00 1.00 H new ATOM 0 HA THR A 14 55.360 -6.584 -5.711 1.00 1.00 H new ATOM 0 HB THR A 14 57.599 -4.735 -4.844 1.00 1.00 H new ATOM 0 HG1 THR A 14 58.438 -6.586 -6.629 1.00 1.00 H new ATOM 0 HG21 THR A 14 58.683 -6.902 -4.327 1.00 1.00 H new ATOM 0 HG22 THR A 14 57.103 -6.768 -3.519 1.00 1.00 H new ATOM 0 HG23 THR A 14 57.272 -7.765 -4.983 1.00 1.00 H new ATOM 209 N ARG A 15 54.002 -4.234 -4.552 1.00 1.00 N ATOM 210 CA ARG A 15 53.303 -3.592 -3.403 1.00 1.00 C ATOM 211 C ARG A 15 54.297 -2.740 -2.611 1.00 1.00 C ATOM 212 O ARG A 15 54.320 -2.764 -1.396 1.00 1.00 O ATOM 213 CB ARG A 15 52.719 -4.677 -2.492 1.00 1.00 C ATOM 214 CG ARG A 15 51.678 -4.058 -1.557 1.00 1.00 C ATOM 215 CD ARG A 15 50.305 -4.086 -2.232 1.00 1.00 C ATOM 216 NE ARG A 15 49.842 -5.496 -2.359 1.00 1.00 N ATOM 217 CZ ARG A 15 48.750 -5.768 -3.020 1.00 1.00 C ATOM 218 NH1 ARG A 15 48.064 -4.804 -3.571 1.00 1.00 N ATOM 219 NH2 ARG A 15 48.344 -7.003 -3.131 1.00 1.00 N ATOM 0 H ARG A 15 53.577 -4.072 -5.465 1.00 1.00 H new ATOM 0 HA ARG A 15 52.499 -2.957 -3.775 1.00 1.00 H new ATOM 0 HB2 ARG A 15 52.261 -5.463 -3.093 1.00 1.00 H new ATOM 0 HB3 ARG A 15 53.514 -5.143 -1.910 1.00 1.00 H new ATOM 0 HG2 ARG A 15 51.644 -4.609 -0.617 1.00 1.00 H new ATOM 0 HG3 ARG A 15 51.955 -3.032 -1.315 1.00 1.00 H new ATOM 0 HD2 ARG A 15 49.589 -3.508 -1.648 1.00 1.00 H new ATOM 0 HD3 ARG A 15 50.362 -3.621 -3.216 1.00 1.00 H new ATOM 0 HE ARG A 15 50.379 -6.249 -1.929 1.00 1.00 H new ATOM 0 HH11 ARG A 15 48.381 -3.838 -3.485 1.00 1.00 H new ATOM 0 HH12 ARG A 15 47.211 -5.016 -4.088 1.00 1.00 H new ATOM 0 HH21 ARG A 15 48.880 -7.757 -2.701 1.00 1.00 H new ATOM 0 HH22 ARG A 15 47.490 -7.215 -3.648 1.00 1.00 H new ATOM 233 N VAL A 16 55.120 -1.987 -3.289 1.00 1.00 N ATOM 234 CA VAL A 16 56.113 -1.133 -2.574 1.00 1.00 C ATOM 235 C VAL A 16 56.857 -1.987 -1.539 1.00 1.00 C ATOM 236 O VAL A 16 56.641 -3.179 -1.440 1.00 1.00 O ATOM 237 CB VAL A 16 55.385 0.027 -1.874 1.00 1.00 C ATOM 238 CG1 VAL A 16 56.264 1.278 -1.909 1.00 1.00 C ATOM 239 CG2 VAL A 16 54.067 0.311 -2.598 1.00 1.00 C ATOM 0 H VAL A 16 55.148 -1.926 -4.307 1.00 1.00 H new ATOM 0 HA VAL A 16 56.829 -0.723 -3.286 1.00 1.00 H new ATOM 0 HB VAL A 16 55.182 -0.245 -0.838 1.00 1.00 H new ATOM 0 HG11 VAL A 16 55.747 2.100 -1.413 1.00 1.00 H new ATOM 0 HG12 VAL A 16 57.204 1.077 -1.395 1.00 1.00 H new ATOM 0 HG13 VAL A 16 56.468 1.550 -2.944 1.00 1.00 H new ATOM 0 HG21 VAL A 16 53.550 1.133 -2.103 1.00 1.00 H new ATOM 0 HG22 VAL A 16 54.272 0.582 -3.634 1.00 1.00 H new ATOM 0 HG23 VAL A 16 53.439 -0.580 -2.574 1.00 1.00 H new ATOM 249 N MET A 17 57.730 -1.392 -0.768 1.00 1.00 N ATOM 250 CA MET A 17 58.481 -2.181 0.254 1.00 1.00 C ATOM 251 C MET A 17 57.510 -3.105 0.997 1.00 1.00 C ATOM 252 O MET A 17 57.912 -4.062 1.629 1.00 1.00 O ATOM 253 CB MET A 17 59.168 -1.236 1.258 1.00 1.00 C ATOM 254 CG MET A 17 58.566 0.166 1.140 1.00 1.00 C ATOM 255 SD MET A 17 59.392 1.066 -0.196 1.00 1.00 S ATOM 256 CE MET A 17 59.456 2.678 0.623 1.00 1.00 C ATOM 0 H MET A 17 57.955 -0.398 -0.801 1.00 1.00 H new ATOM 0 HA MET A 17 59.244 -2.777 -0.246 1.00 1.00 H new ATOM 0 HB2 MET A 17 59.041 -1.613 2.273 1.00 1.00 H new ATOM 0 HB3 MET A 17 60.240 -1.200 1.064 1.00 1.00 H new ATOM 0 HG2 MET A 17 57.496 0.099 0.941 1.00 1.00 H new ATOM 0 HG3 MET A 17 58.682 0.704 2.081 1.00 1.00 H new ATOM 0 HE1 MET A 17 59.937 3.402 -0.035 1.00 1.00 H new ATOM 0 HE2 MET A 17 58.443 3.011 0.850 1.00 1.00 H new ATOM 0 HE3 MET A 17 60.026 2.594 1.548 1.00 1.00 H new ATOM 266 N GLY A 18 56.235 -2.828 0.920 1.00 1.00 N ATOM 267 CA GLY A 18 55.232 -3.690 1.615 1.00 1.00 C ATOM 268 C GLY A 18 54.589 -2.912 2.764 1.00 1.00 C ATOM 269 O GLY A 18 54.979 -1.804 3.074 1.00 1.00 O ATOM 0 H GLY A 18 55.843 -2.040 0.404 1.00 1.00 H new ATOM 0 HA2 GLY A 18 54.467 -4.014 0.910 1.00 1.00 H new ATOM 0 HA3 GLY A 18 55.715 -4.589 1.998 1.00 1.00 H new ATOM 273 N GLY A 19 53.604 -3.487 3.398 1.00 1.00 N ATOM 274 CA GLY A 19 52.929 -2.789 4.528 1.00 1.00 C ATOM 275 C GLY A 19 53.805 -2.854 5.784 1.00 1.00 C ATOM 276 O GLY A 19 54.108 -1.844 6.387 1.00 1.00 O ATOM 0 H GLY A 19 53.237 -4.413 3.181 1.00 1.00 H new ATOM 0 HA2 GLY A 19 52.738 -1.749 4.262 1.00 1.00 H new ATOM 0 HA3 GLY A 19 51.962 -3.251 4.725 1.00 1.00 H new ATOM 280 N PRO A 20 54.203 -4.037 6.179 1.00 1.00 N ATOM 281 CA PRO A 20 55.052 -4.242 7.388 1.00 1.00 C ATOM 282 C PRO A 20 56.173 -3.204 7.509 1.00 1.00 C ATOM 283 O PRO A 20 56.362 -2.600 8.546 1.00 1.00 O ATOM 284 CB PRO A 20 55.630 -5.640 7.175 1.00 1.00 C ATOM 285 CG PRO A 20 54.596 -6.365 6.379 1.00 1.00 C ATOM 286 CD PRO A 20 53.888 -5.314 5.517 1.00 1.00 C ATOM 0 HA PRO A 20 54.480 -4.136 8.310 1.00 1.00 H new ATOM 0 HB2 PRO A 20 56.580 -5.598 6.643 1.00 1.00 H new ATOM 0 HB3 PRO A 20 55.819 -6.139 8.126 1.00 1.00 H new ATOM 0 HG2 PRO A 20 55.055 -7.132 5.755 1.00 1.00 H new ATOM 0 HG3 PRO A 20 53.886 -6.870 7.035 1.00 1.00 H new ATOM 0 HD2 PRO A 20 54.251 -5.331 4.489 1.00 1.00 H new ATOM 0 HD3 PRO A 20 52.813 -5.489 5.478 1.00 1.00 H new ATOM 294 N CYS A 21 56.918 -2.993 6.460 1.00 1.00 N ATOM 295 CA CYS A 21 58.024 -1.997 6.523 1.00 1.00 C ATOM 296 C CYS A 21 57.442 -0.611 6.807 1.00 1.00 C ATOM 297 O CYS A 21 56.598 -0.121 6.082 1.00 1.00 O ATOM 298 CB CYS A 21 58.766 -1.976 5.185 1.00 1.00 C ATOM 299 SG CYS A 21 59.492 -3.604 4.869 1.00 1.00 S ATOM 0 H CYS A 21 56.809 -3.466 5.563 1.00 1.00 H new ATOM 0 HA CYS A 21 58.718 -2.270 7.318 1.00 1.00 H new ATOM 0 HB2 CYS A 21 58.080 -1.710 4.381 1.00 1.00 H new ATOM 0 HB3 CYS A 21 59.547 -1.215 5.202 1.00 1.00 H new ATOM 304 N THR A 22 57.884 0.022 7.862 1.00 1.00 N ATOM 305 CA THR A 22 57.357 1.376 8.206 1.00 1.00 C ATOM 306 C THR A 22 58.471 2.417 8.040 1.00 1.00 C ATOM 307 O THR A 22 59.289 2.597 8.920 1.00 1.00 O ATOM 308 CB THR A 22 56.886 1.372 9.663 1.00 1.00 C ATOM 309 OG1 THR A 22 55.889 0.375 9.833 1.00 1.00 O ATOM 310 CG2 THR A 22 56.306 2.742 10.018 1.00 1.00 C ATOM 0 H THR A 22 58.590 -0.342 8.502 1.00 1.00 H new ATOM 0 HA THR A 22 56.526 1.624 7.546 1.00 1.00 H new ATOM 0 HB THR A 22 57.731 1.158 10.318 1.00 1.00 H new ATOM 0 HG1 THR A 22 55.587 0.370 10.765 1.00 1.00 H new ATOM 0 HG21 THR A 22 55.971 2.738 11.055 1.00 1.00 H new ATOM 0 HG22 THR A 22 57.072 3.506 9.887 1.00 1.00 H new ATOM 0 HG23 THR A 22 55.461 2.960 9.365 1.00 1.00 H new ATOM 318 N PRO A 23 58.506 3.103 6.923 1.00 1.00 N ATOM 319 CA PRO A 23 59.539 4.141 6.657 1.00 1.00 C ATOM 320 C PRO A 23 59.199 5.477 7.328 1.00 1.00 C ATOM 321 O PRO A 23 58.309 6.187 6.905 1.00 1.00 O ATOM 322 CB PRO A 23 59.521 4.278 5.134 1.00 1.00 C ATOM 323 CG PRO A 23 58.130 3.913 4.725 1.00 1.00 C ATOM 324 CD PRO A 23 57.573 2.964 5.793 1.00 1.00 C ATOM 0 HA PRO A 23 60.515 3.864 7.056 1.00 1.00 H new ATOM 0 HB2 PRO A 23 59.768 5.294 4.827 1.00 1.00 H new ATOM 0 HB3 PRO A 23 60.254 3.618 4.670 1.00 1.00 H new ATOM 0 HG2 PRO A 23 57.508 4.804 4.641 1.00 1.00 H new ATOM 0 HG3 PRO A 23 58.131 3.432 3.747 1.00 1.00 H new ATOM 0 HD2 PRO A 23 56.558 3.239 6.079 1.00 1.00 H new ATOM 0 HD3 PRO A 23 57.536 1.936 5.432 1.00 1.00 H new ATOM 332 N ARG A 24 59.901 5.821 8.374 1.00 1.00 N ATOM 333 CA ARG A 24 59.616 7.106 9.073 1.00 1.00 C ATOM 334 C ARG A 24 60.854 7.539 9.864 1.00 1.00 C ATOM 335 O ARG A 24 60.755 8.014 10.978 1.00 1.00 O ATOM 336 CB ARG A 24 58.433 6.910 10.033 1.00 1.00 C ATOM 337 CG ARG A 24 57.634 8.211 10.138 1.00 1.00 C ATOM 338 CD ARG A 24 56.604 8.270 9.009 1.00 1.00 C ATOM 339 NE ARG A 24 55.823 9.535 9.115 1.00 1.00 N ATOM 340 CZ ARG A 24 54.763 9.586 9.874 1.00 1.00 C ATOM 341 NH1 ARG A 24 54.387 8.528 10.540 1.00 1.00 N ATOM 342 NH2 ARG A 24 54.079 10.693 9.967 1.00 1.00 N ATOM 0 H ARG A 24 60.659 5.268 8.774 1.00 1.00 H new ATOM 0 HA ARG A 24 59.367 7.875 8.342 1.00 1.00 H new ATOM 0 HB2 ARG A 24 57.791 6.105 9.675 1.00 1.00 H new ATOM 0 HB3 ARG A 24 58.796 6.614 11.017 1.00 1.00 H new ATOM 0 HG2 ARG A 24 57.133 8.266 11.105 1.00 1.00 H new ATOM 0 HG3 ARG A 24 58.305 9.068 10.078 1.00 1.00 H new ATOM 0 HD2 ARG A 24 57.105 8.219 8.042 1.00 1.00 H new ATOM 0 HD3 ARG A 24 55.935 7.411 9.067 1.00 1.00 H new ATOM 0 HE ARG A 24 56.117 10.361 8.594 1.00 1.00 H new ATOM 0 HH11 ARG A 24 54.922 7.663 10.467 1.00 1.00 H new ATOM 0 HH12 ARG A 24 53.558 8.567 11.134 1.00 1.00 H new ATOM 0 HH21 ARG A 24 54.373 11.519 9.446 1.00 1.00 H new ATOM 0 HH22 ARG A 24 53.250 10.732 10.561 1.00 1.00 H new ATOM 356 N LYS A 25 62.020 7.375 9.299 1.00 1.00 N ATOM 357 CA LYS A 25 63.261 7.774 10.022 1.00 1.00 C ATOM 358 C LYS A 25 63.212 7.236 11.454 1.00 1.00 C ATOM 359 O LYS A 25 63.780 7.810 12.362 1.00 1.00 O ATOM 360 CB LYS A 25 63.367 9.301 10.062 1.00 1.00 C ATOM 361 CG LYS A 25 63.313 9.861 8.639 1.00 1.00 C ATOM 362 CD LYS A 25 61.986 10.591 8.427 1.00 1.00 C ATOM 363 CE LYS A 25 62.029 11.947 9.133 1.00 1.00 C ATOM 364 NZ LYS A 25 60.639 12.430 9.368 1.00 1.00 N ATOM 0 H LYS A 25 62.166 6.982 8.369 1.00 1.00 H new ATOM 0 HA LYS A 25 64.127 7.362 9.503 1.00 1.00 H new ATOM 0 HB2 LYS A 25 62.553 9.716 10.657 1.00 1.00 H new ATOM 0 HB3 LYS A 25 64.298 9.598 10.544 1.00 1.00 H new ATOM 0 HG2 LYS A 25 64.146 10.544 8.474 1.00 1.00 H new ATOM 0 HG3 LYS A 25 63.415 9.053 7.915 1.00 1.00 H new ATOM 0 HD2 LYS A 25 61.802 10.730 7.362 1.00 1.00 H new ATOM 0 HD3 LYS A 25 61.163 9.992 8.817 1.00 1.00 H new ATOM 0 HE2 LYS A 25 62.560 11.859 10.081 1.00 1.00 H new ATOM 0 HE3 LYS A 25 62.578 12.667 8.526 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 60.668 13.352 9.848 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 60.147 12.530 8.457 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 60.130 11.746 9.963 1.00 1.00 H new ATOM 378 N GLY A 26 62.535 6.141 11.664 1.00 1.00 N ATOM 379 CA GLY A 26 62.450 5.573 13.039 1.00 1.00 C ATOM 380 C GLY A 26 63.814 5.015 13.449 1.00 1.00 C ATOM 381 O GLY A 26 64.305 5.285 14.527 1.00 1.00 O ATOM 0 H GLY A 26 62.038 5.616 10.945 1.00 1.00 H new ATOM 0 HA2 GLY A 26 62.135 6.343 13.743 1.00 1.00 H new ATOM 0 HA3 GLY A 26 61.698 4.784 13.072 1.00 1.00 H new ATOM 385 N PRO A 27 64.419 4.240 12.590 1.00 1.00 N ATOM 386 CA PRO A 27 65.752 3.625 12.858 1.00 1.00 C ATOM 387 C PRO A 27 66.840 4.690 13.046 1.00 1.00 C ATOM 388 O PRO A 27 66.575 5.873 12.964 1.00 1.00 O ATOM 389 CB PRO A 27 66.032 2.768 11.610 1.00 1.00 C ATOM 390 CG PRO A 27 64.727 2.638 10.895 1.00 1.00 C ATOM 391 CD PRO A 27 63.896 3.863 11.269 1.00 1.00 C ATOM 0 HA PRO A 27 65.754 3.042 13.779 1.00 1.00 H new ATOM 0 HB2 PRO A 27 66.780 3.240 10.973 1.00 1.00 H new ATOM 0 HB3 PRO A 27 66.423 1.789 11.889 1.00 1.00 H new ATOM 0 HG2 PRO A 27 64.880 2.589 9.817 1.00 1.00 H new ATOM 0 HG3 PRO A 27 64.216 1.720 11.187 1.00 1.00 H new ATOM 0 HD2 PRO A 27 64.018 4.668 10.544 1.00 1.00 H new ATOM 0 HD3 PRO A 27 62.832 3.629 11.310 1.00 1.00 H new ATOM 399 N PRO A 28 68.054 4.275 13.300 1.00 1.00 N ATOM 400 CA PRO A 28 69.196 5.215 13.506 1.00 1.00 C ATOM 401 C PRO A 28 69.324 6.229 12.363 1.00 1.00 C ATOM 402 O PRO A 28 69.339 5.871 11.202 1.00 1.00 O ATOM 403 CB PRO A 28 70.423 4.297 13.554 1.00 1.00 C ATOM 404 CG PRO A 28 69.899 2.961 13.966 1.00 1.00 C ATOM 405 CD PRO A 28 68.471 2.869 13.423 1.00 1.00 C ATOM 0 HA PRO A 28 69.070 5.815 14.407 1.00 1.00 H new ATOM 0 HB2 PRO A 28 70.913 4.245 12.582 1.00 1.00 H new ATOM 0 HB3 PRO A 28 71.163 4.666 14.265 1.00 1.00 H new ATOM 0 HG2 PRO A 28 70.519 2.160 13.564 1.00 1.00 H new ATOM 0 HG3 PRO A 28 69.909 2.858 15.051 1.00 1.00 H new ATOM 0 HD2 PRO A 28 68.440 2.357 12.461 1.00 1.00 H new ATOM 0 HD3 PRO A 28 67.820 2.316 14.100 1.00 1.00 H new ATOM 413 N LYS A 29 69.418 7.492 12.684 1.00 1.00 N ATOM 414 CA LYS A 29 69.548 8.524 11.617 1.00 1.00 C ATOM 415 C LYS A 29 70.949 8.447 11.006 1.00 1.00 C ATOM 416 O LYS A 29 71.928 8.259 11.700 1.00 1.00 O ATOM 417 CB LYS A 29 69.329 9.915 12.223 1.00 1.00 C ATOM 418 CG LYS A 29 67.829 10.172 12.384 1.00 1.00 C ATOM 419 CD LYS A 29 67.614 11.408 13.260 1.00 1.00 C ATOM 420 CE LYS A 29 66.200 11.950 13.041 1.00 1.00 C ATOM 421 NZ LYS A 29 65.248 10.812 12.901 1.00 1.00 N ATOM 0 H LYS A 29 69.410 7.852 13.638 1.00 1.00 H new ATOM 0 HA LYS A 29 68.802 8.345 10.842 1.00 1.00 H new ATOM 0 HB2 LYS A 29 69.826 9.984 13.190 1.00 1.00 H new ATOM 0 HB3 LYS A 29 69.772 10.677 11.582 1.00 1.00 H new ATOM 0 HG2 LYS A 29 67.368 10.321 11.408 1.00 1.00 H new ATOM 0 HG3 LYS A 29 67.347 9.305 12.836 1.00 1.00 H new ATOM 0 HD2 LYS A 29 67.758 11.152 14.310 1.00 1.00 H new ATOM 0 HD3 LYS A 29 68.350 12.173 13.014 1.00 1.00 H new ATOM 0 HE2 LYS A 29 65.907 12.582 13.880 1.00 1.00 H new ATOM 0 HE3 LYS A 29 66.172 12.573 12.147 1.00 1.00 H new ATOM 0 HZ1 LYS A 29 64.272 11.169 12.939 1.00 1.00 H new ATOM 0 HZ2 LYS A 29 65.407 10.336 11.990 1.00 1.00 H new ATOM 0 HZ3 LYS A 29 65.400 10.135 13.676 1.00 1.00 H new ATOM 435 N CYS A 30 71.055 8.591 9.713 1.00 1.00 N ATOM 436 CA CYS A 30 72.396 8.524 9.067 1.00 1.00 C ATOM 437 C CYS A 30 72.274 8.910 7.591 1.00 1.00 C ATOM 438 O CYS A 30 73.259 9.095 6.905 1.00 1.00 O ATOM 439 CB CYS A 30 72.945 7.100 9.179 1.00 1.00 C ATOM 440 SG CYS A 30 71.728 5.931 8.526 1.00 1.00 S ATOM 0 H CYS A 30 70.273 8.752 9.078 1.00 1.00 H new ATOM 0 HA CYS A 30 73.074 9.216 9.567 1.00 1.00 H new ATOM 0 HB2 CYS A 30 73.880 7.015 8.626 1.00 1.00 H new ATOM 0 HB3 CYS A 30 73.168 6.866 10.220 1.00 1.00 H new ATOM 445 N LYS A 31 71.072 9.035 7.096 1.00 1.00 N ATOM 446 CA LYS A 31 70.890 9.409 5.664 1.00 1.00 C ATOM 447 C LYS A 31 71.710 8.460 4.785 1.00 1.00 C ATOM 448 O LYS A 31 72.433 7.614 5.273 1.00 1.00 O ATOM 449 CB LYS A 31 71.366 10.853 5.446 1.00 1.00 C ATOM 450 CG LYS A 31 70.189 11.814 5.627 1.00 1.00 C ATOM 451 CD LYS A 31 69.692 11.747 7.072 1.00 1.00 C ATOM 452 CE LYS A 31 70.785 12.257 8.013 1.00 1.00 C ATOM 453 NZ LYS A 31 70.158 12.884 9.210 1.00 1.00 N ATOM 0 H LYS A 31 70.209 8.894 7.621 1.00 1.00 H new ATOM 0 HA LYS A 31 69.836 9.333 5.398 1.00 1.00 H new ATOM 0 HB2 LYS A 31 72.159 11.096 6.153 1.00 1.00 H new ATOM 0 HB3 LYS A 31 71.786 10.961 4.446 1.00 1.00 H new ATOM 0 HG2 LYS A 31 70.496 12.831 5.384 1.00 1.00 H new ATOM 0 HG3 LYS A 31 69.383 11.552 4.942 1.00 1.00 H new ATOM 0 HD2 LYS A 31 68.790 12.348 7.186 1.00 1.00 H new ATOM 0 HD3 LYS A 31 69.426 10.722 7.329 1.00 1.00 H new ATOM 0 HE2 LYS A 31 71.431 11.433 8.317 1.00 1.00 H new ATOM 0 HE3 LYS A 31 71.414 12.982 7.497 1.00 1.00 H new ATOM 0 HZ1 LYS A 31 70.901 13.231 9.850 1.00 1.00 H new ATOM 0 HZ2 LYS A 31 69.559 13.680 8.911 1.00 1.00 H new ATOM 0 HZ3 LYS A 31 69.575 12.180 9.706 1.00 1.00 H new ATOM 467 N GLN A 32 71.602 8.597 3.488 1.00 1.00 N ATOM 468 CA GLN A 32 72.372 7.709 2.567 1.00 1.00 C ATOM 469 C GLN A 32 73.412 8.540 1.812 1.00 1.00 C ATOM 470 O GLN A 32 73.383 8.638 0.602 1.00 1.00 O ATOM 471 CB GLN A 32 71.413 7.062 1.563 1.00 1.00 C ATOM 472 CG GLN A 32 72.137 5.942 0.814 1.00 1.00 C ATOM 473 CD GLN A 32 71.138 5.185 -0.063 1.00 1.00 C ATOM 474 OE1 GLN A 32 69.971 5.715 -0.309 1.00 1.00 O flip ATOM 475 NE2 GLN A 32 71.422 4.100 -0.531 1.00 1.00 N flip ATOM 0 H GLN A 32 71.011 9.288 3.026 1.00 1.00 H new ATOM 0 HA GLN A 32 72.874 6.933 3.144 1.00 1.00 H new ATOM 0 HB2 GLN A 32 70.542 6.663 2.082 1.00 1.00 H new ATOM 0 HB3 GLN A 32 71.049 7.809 0.858 1.00 1.00 H new ATOM 0 HG2 GLN A 32 72.935 6.358 0.199 1.00 1.00 H new ATOM 0 HG3 GLN A 32 72.605 5.259 1.523 1.00 1.00 H new ATOM 0 HE21 GLN A 32 72.334 3.685 -0.339 1.00 1.00 H new ATOM 0 HE22 GLN A 32 70.749 3.605 -1.115 1.00 1.00 H new ATOM 484 N ARG A 33 74.330 9.141 2.518 1.00 1.00 N ATOM 485 CA ARG A 33 75.369 9.967 1.841 1.00 1.00 C ATOM 486 C ARG A 33 76.434 10.384 2.858 1.00 1.00 C ATOM 487 O ARG A 33 76.843 11.527 2.909 1.00 1.00 O ATOM 488 CB ARG A 33 74.715 11.216 1.243 1.00 1.00 C ATOM 489 CG ARG A 33 74.059 12.036 2.356 1.00 1.00 C ATOM 490 CD ARG A 33 72.839 12.770 1.799 1.00 1.00 C ATOM 491 NE ARG A 33 71.675 11.840 1.760 1.00 1.00 N ATOM 492 CZ ARG A 33 70.636 12.126 1.023 1.00 1.00 C ATOM 493 NH1 ARG A 33 70.617 13.225 0.320 1.00 1.00 N ATOM 494 NH2 ARG A 33 69.617 11.311 0.989 1.00 1.00 N ATOM 0 H ARG A 33 74.405 9.096 3.534 1.00 1.00 H new ATOM 0 HA ARG A 33 75.836 9.385 1.047 1.00 1.00 H new ATOM 0 HB2 ARG A 33 75.463 11.818 0.726 1.00 1.00 H new ATOM 0 HB3 ARG A 33 73.969 10.929 0.502 1.00 1.00 H new ATOM 0 HG2 ARG A 33 73.760 11.382 3.176 1.00 1.00 H new ATOM 0 HG3 ARG A 33 74.773 12.752 2.763 1.00 1.00 H new ATOM 0 HD2 ARG A 33 72.607 13.635 2.420 1.00 1.00 H new ATOM 0 HD3 ARG A 33 73.052 13.145 0.798 1.00 1.00 H new ATOM 0 HE ARG A 33 71.690 10.980 2.309 1.00 1.00 H new ATOM 0 HH11 ARG A 33 71.414 13.861 0.346 1.00 1.00 H new ATOM 0 HH12 ARG A 33 69.805 13.448 -0.256 1.00 1.00 H new ATOM 0 HH21 ARG A 33 69.633 10.451 1.538 1.00 1.00 H new ATOM 0 HH22 ARG A 33 68.805 11.534 0.413 1.00 1.00 H new ATOM 508 N GLN A 34 76.884 9.466 3.669 1.00 1.00 N ATOM 509 CA GLN A 34 77.921 9.808 4.683 1.00 1.00 C ATOM 510 C GLN A 34 79.126 10.446 3.990 1.00 1.00 C ATOM 511 O GLN A 34 79.990 11.016 4.626 1.00 1.00 O ATOM 512 CB GLN A 34 78.366 8.534 5.405 1.00 1.00 C ATOM 513 CG GLN A 34 77.255 8.065 6.347 1.00 1.00 C ATOM 514 CD GLN A 34 77.572 6.656 6.850 1.00 1.00 C ATOM 515 OE1 GLN A 34 78.100 6.489 7.931 1.00 1.00 O ATOM 516 NE2 GLN A 34 77.271 5.627 6.105 1.00 1.00 N ATOM 0 H GLN A 34 76.578 8.493 3.673 1.00 1.00 H new ATOM 0 HA GLN A 34 77.504 10.511 5.404 1.00 1.00 H new ATOM 0 HB2 GLN A 34 78.595 7.754 4.679 1.00 1.00 H new ATOM 0 HB3 GLN A 34 79.279 8.723 5.969 1.00 1.00 H new ATOM 0 HG2 GLN A 34 77.164 8.751 7.189 1.00 1.00 H new ATOM 0 HG3 GLN A 34 76.297 8.070 5.827 1.00 1.00 H new ATOM 0 HE21 GLN A 34 76.828 5.767 5.197 1.00 1.00 H new ATOM 0 HE22 GLN A 34 77.479 4.683 6.431 1.00 1.00 H new ATOM 525 N THR A 35 79.192 10.354 2.688 1.00 1.00 N ATOM 526 CA THR A 35 80.343 10.954 1.951 1.00 1.00 C ATOM 527 C THR A 35 79.830 11.641 0.684 1.00 1.00 C ATOM 528 O THR A 35 80.361 11.455 -0.393 1.00 1.00 O ATOM 529 CB THR A 35 81.333 9.850 1.569 1.00 1.00 C ATOM 530 OG1 THR A 35 81.467 8.942 2.653 1.00 1.00 O ATOM 531 CG2 THR A 35 82.694 10.470 1.249 1.00 1.00 C ATOM 0 H THR A 35 78.498 9.889 2.103 1.00 1.00 H new ATOM 0 HA THR A 35 80.843 11.686 2.585 1.00 1.00 H new ATOM 0 HB THR A 35 80.964 9.318 0.692 1.00 1.00 H new ATOM 0 HG1 THR A 35 82.079 9.317 3.320 1.00 1.00 H new ATOM 0 HG21 THR A 35 83.398 9.683 0.977 1.00 1.00 H new ATOM 0 HG22 THR A 35 82.590 11.167 0.417 1.00 1.00 H new ATOM 0 HG23 THR A 35 83.066 11.003 2.124 1.00 1.00 H new ATOM 539 N ARG A 36 78.801 12.434 0.806 1.00 1.00 N ATOM 540 CA ARG A 36 78.249 13.137 -0.386 1.00 1.00 C ATOM 541 C ARG A 36 77.945 12.123 -1.491 1.00 1.00 C ATOM 542 O ARG A 36 78.803 11.762 -2.272 1.00 1.00 O ATOM 543 CB ARG A 36 79.269 14.158 -0.897 1.00 1.00 C ATOM 544 CG ARG A 36 79.515 15.216 0.181 1.00 1.00 C ATOM 545 CD ARG A 36 80.686 16.108 -0.237 1.00 1.00 C ATOM 546 NE ARG A 36 80.405 16.703 -1.573 1.00 1.00 N ATOM 547 CZ ARG A 36 80.917 17.860 -1.893 1.00 1.00 C ATOM 548 NH1 ARG A 36 81.675 18.496 -1.042 1.00 1.00 N ATOM 549 NH2 ARG A 36 80.671 18.382 -3.063 1.00 1.00 N ATOM 0 H ARG A 36 78.317 12.626 1.683 1.00 1.00 H new ATOM 0 HA ARG A 36 77.329 13.650 -0.105 1.00 1.00 H new ATOM 0 HB2 ARG A 36 80.204 13.658 -1.151 1.00 1.00 H new ATOM 0 HB3 ARG A 36 78.902 14.630 -1.808 1.00 1.00 H new ATOM 0 HG2 ARG A 36 78.618 15.819 0.325 1.00 1.00 H new ATOM 0 HG3 ARG A 36 79.733 14.735 1.135 1.00 1.00 H new ATOM 0 HD2 ARG A 36 80.837 16.897 0.500 1.00 1.00 H new ATOM 0 HD3 ARG A 36 81.606 15.525 -0.273 1.00 1.00 H new ATOM 0 HE ARG A 36 79.812 16.206 -2.238 1.00 1.00 H new ATOM 0 HH11 ARG A 36 81.867 18.089 -0.127 1.00 1.00 H new ATOM 0 HH12 ARG A 36 82.075 19.400 -1.292 1.00 1.00 H new ATOM 0 HH21 ARG A 36 80.078 17.886 -3.728 1.00 1.00 H new ATOM 0 HH22 ARG A 36 81.071 19.286 -3.312 1.00 1.00 H new ATOM 563 N GLN A 37 76.725 11.666 -1.564 1.00 1.00 N ATOM 564 CA GLN A 37 76.353 10.680 -2.619 1.00 1.00 C ATOM 565 C GLN A 37 77.316 9.492 -2.584 1.00 1.00 C ATOM 566 O GLN A 37 78.237 9.449 -1.794 1.00 1.00 O ATOM 567 CB GLN A 37 76.424 11.353 -3.992 1.00 1.00 C ATOM 568 CG GLN A 37 75.496 12.569 -4.015 1.00 1.00 C ATOM 569 CD GLN A 37 74.043 12.101 -4.118 1.00 1.00 C ATOM 570 OE1 GLN A 37 73.722 11.250 -4.923 1.00 1.00 O ATOM 571 NE2 GLN A 37 73.144 12.626 -3.330 1.00 1.00 N ATOM 0 H GLN A 37 75.967 11.934 -0.936 1.00 1.00 H new ATOM 0 HA GLN A 37 75.339 10.325 -2.436 1.00 1.00 H new ATOM 0 HB2 GLN A 37 77.448 11.660 -4.205 1.00 1.00 H new ATOM 0 HB3 GLN A 37 76.134 10.647 -4.770 1.00 1.00 H new ATOM 0 HG2 GLN A 37 75.635 13.163 -3.111 1.00 1.00 H new ATOM 0 HG3 GLN A 37 75.743 13.212 -4.860 1.00 1.00 H new ATOM 0 HE21 GLN A 37 73.413 13.341 -2.654 1.00 1.00 H new ATOM 0 HE22 GLN A 37 72.172 12.321 -3.391 1.00 1.00 H new ATOM 580 N CYS A 38 77.107 8.526 -3.438 1.00 1.00 N ATOM 581 CA CYS A 38 78.006 7.339 -3.459 1.00 1.00 C ATOM 582 C CYS A 38 77.931 6.667 -4.832 1.00 1.00 C ATOM 583 O CYS A 38 77.780 5.467 -4.942 1.00 1.00 O ATOM 584 CB CYS A 38 77.569 6.347 -2.377 1.00 1.00 C ATOM 585 SG CYS A 38 78.335 6.799 -0.801 1.00 1.00 S ATOM 0 H CYS A 38 76.351 8.509 -4.122 1.00 1.00 H new ATOM 0 HA CYS A 38 79.031 7.656 -3.266 1.00 1.00 H new ATOM 0 HB2 CYS A 38 76.483 6.352 -2.281 1.00 1.00 H new ATOM 0 HB3 CYS A 38 77.859 5.335 -2.658 1.00 1.00 H new ATOM 590 N LYS A 39 78.040 7.434 -5.880 1.00 1.00 N ATOM 591 CA LYS A 39 77.984 6.844 -7.246 1.00 1.00 C ATOM 592 C LYS A 39 78.572 7.841 -8.243 1.00 1.00 C ATOM 593 O LYS A 39 78.686 7.566 -9.421 1.00 1.00 O ATOM 594 CB LYS A 39 76.532 6.533 -7.620 1.00 1.00 C ATOM 595 CG LYS A 39 75.659 7.758 -7.343 1.00 1.00 C ATOM 596 CD LYS A 39 74.199 7.427 -7.658 1.00 1.00 C ATOM 597 CE LYS A 39 73.287 8.471 -7.011 1.00 1.00 C ATOM 598 NZ LYS A 39 73.905 9.820 -7.142 1.00 1.00 N ATOM 0 H LYS A 39 78.166 8.446 -5.850 1.00 1.00 H new ATOM 0 HA LYS A 39 78.559 5.918 -7.268 1.00 1.00 H new ATOM 0 HB2 LYS A 39 76.468 6.258 -8.673 1.00 1.00 H new ATOM 0 HB3 LYS A 39 76.172 5.680 -7.045 1.00 1.00 H new ATOM 0 HG2 LYS A 39 75.758 8.060 -6.300 1.00 1.00 H new ATOM 0 HG3 LYS A 39 75.991 8.599 -7.951 1.00 1.00 H new ATOM 0 HD2 LYS A 39 74.043 7.411 -8.737 1.00 1.00 H new ATOM 0 HD3 LYS A 39 73.952 6.433 -7.286 1.00 1.00 H new ATOM 0 HE2 LYS A 39 72.308 8.460 -7.489 1.00 1.00 H new ATOM 0 HE3 LYS A 39 73.131 8.231 -5.959 1.00 1.00 H new ATOM 0 HZ1 LYS A 39 74.175 10.171 -6.201 1.00 1.00 H new ATOM 0 HZ2 LYS A 39 74.751 9.757 -7.744 1.00 1.00 H new ATOM 0 HZ3 LYS A 39 73.221 10.475 -7.573 1.00 1.00 H new ATOM 612 N SER A 40 78.956 8.998 -7.775 1.00 1.00 N ATOM 613 CA SER A 40 79.546 10.014 -8.688 1.00 1.00 C ATOM 614 C SER A 40 80.946 9.558 -9.105 1.00 1.00 C ATOM 615 O SER A 40 81.118 8.893 -10.107 1.00 1.00 O ATOM 616 CB SER A 40 79.638 11.358 -7.965 1.00 1.00 C ATOM 617 OG SER A 40 80.550 12.201 -8.655 1.00 1.00 O ATOM 0 H SER A 40 78.886 9.282 -6.798 1.00 1.00 H new ATOM 0 HA SER A 40 78.918 10.124 -9.572 1.00 1.00 H new ATOM 0 HB2 SER A 40 78.655 11.827 -7.919 1.00 1.00 H new ATOM 0 HB3 SER A 40 79.969 11.209 -6.937 1.00 1.00 H new ATOM 0 HG SER A 40 80.610 13.064 -8.195 1.00 1.00 H new ATOM 623 N LYS A 41 81.948 9.897 -8.339 1.00 1.00 N ATOM 624 CA LYS A 41 83.332 9.466 -8.693 1.00 1.00 C ATOM 625 C LYS A 41 84.151 9.259 -7.415 1.00 1.00 C ATOM 626 O LYS A 41 84.918 10.112 -7.014 1.00 1.00 O ATOM 627 CB LYS A 41 83.998 10.538 -9.565 1.00 1.00 C ATOM 628 CG LYS A 41 83.984 11.882 -8.834 1.00 1.00 C ATOM 629 CD LYS A 41 83.799 13.013 -9.847 1.00 1.00 C ATOM 630 CE LYS A 41 85.040 13.111 -10.736 1.00 1.00 C ATOM 631 NZ LYS A 41 86.136 13.787 -9.986 1.00 1.00 N ATOM 0 H LYS A 41 81.869 10.452 -7.487 1.00 1.00 H new ATOM 0 HA LYS A 41 83.287 8.528 -9.246 1.00 1.00 H new ATOM 0 HB2 LYS A 41 85.024 10.248 -9.794 1.00 1.00 H new ATOM 0 HB3 LYS A 41 83.472 10.625 -10.516 1.00 1.00 H new ATOM 0 HG2 LYS A 41 83.177 11.901 -8.101 1.00 1.00 H new ATOM 0 HG3 LYS A 41 84.916 12.019 -8.286 1.00 1.00 H new ATOM 0 HD2 LYS A 41 82.915 12.828 -10.457 1.00 1.00 H new ATOM 0 HD3 LYS A 41 83.635 13.957 -9.328 1.00 1.00 H new ATOM 0 HE2 LYS A 41 85.358 12.116 -11.047 1.00 1.00 H new ATOM 0 HE3 LYS A 41 84.808 13.669 -11.643 1.00 1.00 H new ATOM 0 HZ1 LYS A 41 86.910 14.021 -10.639 1.00 1.00 H new ATOM 0 HZ2 LYS A 41 85.773 14.660 -9.552 1.00 1.00 H new ATOM 0 HZ3 LYS A 41 86.491 13.152 -9.242 1.00 1.00 H new ATOM 645 N PRO A 42 83.995 8.123 -6.791 1.00 1.00 N ATOM 646 CA PRO A 42 84.726 7.765 -5.552 1.00 1.00 C ATOM 647 C PRO A 42 85.994 6.953 -5.848 1.00 1.00 C ATOM 648 O PRO A 42 86.133 6.379 -6.909 1.00 1.00 O ATOM 649 CB PRO A 42 83.700 6.906 -4.814 1.00 1.00 C ATOM 650 CG PRO A 42 82.907 6.228 -5.889 1.00 1.00 C ATOM 651 CD PRO A 42 83.085 7.038 -7.182 1.00 1.00 C ATOM 0 HA PRO A 42 85.072 8.635 -4.993 1.00 1.00 H new ATOM 0 HB2 PRO A 42 84.189 6.178 -4.167 1.00 1.00 H new ATOM 0 HB3 PRO A 42 83.059 7.517 -4.179 1.00 1.00 H new ATOM 0 HG2 PRO A 42 83.251 5.203 -6.029 1.00 1.00 H new ATOM 0 HG3 PRO A 42 81.854 6.176 -5.612 1.00 1.00 H new ATOM 0 HD2 PRO A 42 83.508 6.429 -7.981 1.00 1.00 H new ATOM 0 HD3 PRO A 42 82.133 7.425 -7.546 1.00 1.00 H new ATOM 659 N PRO A 43 86.907 6.897 -4.914 1.00 1.00 N ATOM 660 CA PRO A 43 88.175 6.129 -5.082 1.00 1.00 C ATOM 661 C PRO A 43 87.909 4.623 -5.198 1.00 1.00 C ATOM 662 O PRO A 43 86.971 4.107 -4.622 1.00 1.00 O ATOM 663 CB PRO A 43 88.981 6.449 -3.814 1.00 1.00 C ATOM 664 CG PRO A 43 87.983 6.929 -2.812 1.00 1.00 C ATOM 665 CD PRO A 43 86.831 7.555 -3.601 1.00 1.00 C ATOM 0 HA PRO A 43 88.703 6.403 -5.995 1.00 1.00 H new ATOM 0 HB2 PRO A 43 89.507 5.566 -3.451 1.00 1.00 H new ATOM 0 HB3 PRO A 43 89.735 7.211 -4.011 1.00 1.00 H new ATOM 0 HG2 PRO A 43 87.626 6.104 -2.196 1.00 1.00 H new ATOM 0 HG3 PRO A 43 88.432 7.659 -2.138 1.00 1.00 H new ATOM 0 HD2 PRO A 43 85.871 7.374 -3.118 1.00 1.00 H new ATOM 0 HD3 PRO A 43 86.946 8.635 -3.688 1.00 1.00 H new ATOM 673 N LYS A 44 88.718 3.919 -5.946 1.00 1.00 N ATOM 674 CA LYS A 44 88.503 2.448 -6.111 1.00 1.00 C ATOM 675 C LYS A 44 89.698 1.679 -5.539 1.00 1.00 C ATOM 676 O LYS A 44 90.426 2.174 -4.701 1.00 1.00 O ATOM 677 CB LYS A 44 88.354 2.127 -7.605 1.00 1.00 C ATOM 678 CG LYS A 44 87.489 0.877 -7.780 1.00 1.00 C ATOM 679 CD LYS A 44 87.948 0.109 -9.021 1.00 1.00 C ATOM 680 CE LYS A 44 87.650 0.936 -10.274 1.00 1.00 C ATOM 681 NZ LYS A 44 88.293 0.296 -11.456 1.00 1.00 N ATOM 0 H LYS A 44 89.519 4.298 -6.451 1.00 1.00 H new ATOM 0 HA LYS A 44 87.601 2.151 -5.577 1.00 1.00 H new ATOM 0 HB2 LYS A 44 87.900 2.971 -8.125 1.00 1.00 H new ATOM 0 HB3 LYS A 44 89.335 1.968 -8.052 1.00 1.00 H new ATOM 0 HG2 LYS A 44 87.566 0.242 -6.897 1.00 1.00 H new ATOM 0 HG3 LYS A 44 86.441 1.158 -7.880 1.00 1.00 H new ATOM 0 HD2 LYS A 44 89.016 -0.101 -8.957 1.00 1.00 H new ATOM 0 HD3 LYS A 44 87.436 -0.852 -9.077 1.00 1.00 H new ATOM 0 HE2 LYS A 44 86.573 1.009 -10.427 1.00 1.00 H new ATOM 0 HE3 LYS A 44 88.024 1.952 -10.149 1.00 1.00 H new ATOM 0 HZ1 LYS A 44 88.091 0.858 -12.308 1.00 1.00 H new ATOM 0 HZ2 LYS A 44 89.321 0.249 -11.309 1.00 1.00 H new ATOM 0 HZ3 LYS A 44 87.916 -0.666 -11.578 1.00 1.00 H new ATOM 695 N LYS A 45 89.901 0.469 -5.987 1.00 1.00 N ATOM 696 CA LYS A 45 91.042 -0.341 -5.476 1.00 1.00 C ATOM 697 C LYS A 45 90.935 -0.474 -3.955 1.00 1.00 C ATOM 698 O LYS A 45 91.749 0.046 -3.217 1.00 1.00 O ATOM 699 CB LYS A 45 92.362 0.345 -5.840 1.00 1.00 C ATOM 700 CG LYS A 45 93.517 -0.645 -5.673 1.00 1.00 C ATOM 701 CD LYS A 45 94.759 -0.105 -6.385 1.00 1.00 C ATOM 702 CE LYS A 45 95.215 1.188 -5.707 1.00 1.00 C ATOM 703 NZ LYS A 45 94.379 2.324 -6.189 1.00 1.00 N ATOM 0 H LYS A 45 89.323 0.006 -6.688 1.00 1.00 H new ATOM 0 HA LYS A 45 91.013 -1.332 -5.929 1.00 1.00 H new ATOM 0 HB2 LYS A 45 92.325 0.706 -6.868 1.00 1.00 H new ATOM 0 HB3 LYS A 45 92.520 1.215 -5.202 1.00 1.00 H new ATOM 0 HG2 LYS A 45 93.729 -0.798 -4.615 1.00 1.00 H new ATOM 0 HG3 LYS A 45 93.241 -1.615 -6.086 1.00 1.00 H new ATOM 0 HD2 LYS A 45 95.559 -0.845 -6.355 1.00 1.00 H new ATOM 0 HD3 LYS A 45 94.536 0.082 -7.436 1.00 1.00 H new ATOM 0 HE2 LYS A 45 95.129 1.093 -4.625 1.00 1.00 H new ATOM 0 HE3 LYS A 45 96.266 1.376 -5.928 1.00 1.00 H new ATOM 0 HZ1 LYS A 45 94.994 3.117 -6.460 1.00 1.00 H new ATOM 0 HZ2 LYS A 45 93.823 2.020 -7.014 1.00 1.00 H new ATOM 0 HZ3 LYS A 45 93.736 2.628 -5.430 1.00 1.00 H new ATOM 717 N GLY A 46 89.937 -1.170 -3.481 1.00 1.00 N ATOM 718 CA GLY A 46 89.776 -1.340 -2.008 1.00 1.00 C ATOM 719 C GLY A 46 90.483 -2.622 -1.562 1.00 1.00 C ATOM 720 O GLY A 46 89.893 -3.683 -1.516 1.00 1.00 O ATOM 0 H GLY A 46 89.226 -1.629 -4.050 1.00 1.00 H new ATOM 0 HA2 GLY A 46 90.194 -0.480 -1.484 1.00 1.00 H new ATOM 0 HA3 GLY A 46 88.718 -1.387 -1.750 1.00 1.00 H new ATOM 724 N VAL A 47 91.743 -2.532 -1.233 1.00 1.00 N ATOM 725 CA VAL A 47 92.489 -3.744 -0.789 1.00 1.00 C ATOM 726 C VAL A 47 93.525 -3.346 0.263 1.00 1.00 C ATOM 727 O VAL A 47 94.581 -3.938 0.365 1.00 1.00 O ATOM 728 CB VAL A 47 93.197 -4.375 -1.990 1.00 1.00 C ATOM 729 CG1 VAL A 47 92.157 -4.824 -3.018 1.00 1.00 C ATOM 730 CG2 VAL A 47 94.131 -3.345 -2.628 1.00 1.00 C ATOM 0 H VAL A 47 92.289 -1.670 -1.253 1.00 1.00 H new ATOM 0 HA VAL A 47 91.792 -4.464 -0.359 1.00 1.00 H new ATOM 0 HB VAL A 47 93.776 -5.237 -1.659 1.00 1.00 H new ATOM 0 HG11 VAL A 47 92.661 -5.273 -3.873 1.00 1.00 H new ATOM 0 HG12 VAL A 47 91.490 -5.557 -2.564 1.00 1.00 H new ATOM 0 HG13 VAL A 47 91.578 -3.962 -3.350 1.00 1.00 H new ATOM 0 HG21 VAL A 47 94.636 -3.793 -3.484 1.00 1.00 H new ATOM 0 HG22 VAL A 47 93.551 -2.484 -2.959 1.00 1.00 H new ATOM 0 HG23 VAL A 47 94.872 -3.024 -1.896 1.00 1.00 H new ATOM 740 N GLN A 48 93.229 -2.345 1.048 1.00 1.00 N ATOM 741 CA GLN A 48 94.193 -1.904 2.097 1.00 1.00 C ATOM 742 C GLN A 48 93.418 -1.422 3.325 1.00 1.00 C ATOM 743 O GLN A 48 93.955 -0.753 4.186 1.00 1.00 O ATOM 744 CB GLN A 48 95.054 -0.759 1.549 1.00 1.00 C ATOM 745 CG GLN A 48 96.137 -0.394 2.566 1.00 1.00 C ATOM 746 CD GLN A 48 95.887 1.020 3.093 1.00 1.00 C ATOM 747 OE1 GLN A 48 94.789 1.344 3.500 1.00 1.00 O ATOM 748 NE2 GLN A 48 96.867 1.882 3.103 1.00 1.00 N ATOM 0 H GLN A 48 92.360 -1.813 1.008 1.00 1.00 H new ATOM 0 HA GLN A 48 94.837 -2.737 2.378 1.00 1.00 H new ATOM 0 HB2 GLN A 48 95.513 -1.056 0.606 1.00 1.00 H new ATOM 0 HB3 GLN A 48 94.430 0.110 1.340 1.00 1.00 H new ATOM 0 HG2 GLN A 48 96.132 -1.107 3.390 1.00 1.00 H new ATOM 0 HG3 GLN A 48 97.121 -0.452 2.101 1.00 1.00 H new ATOM 0 HE21 GLN A 48 97.789 1.610 2.761 1.00 1.00 H new ATOM 0 HE22 GLN A 48 96.711 2.827 3.452 1.00 1.00 H new ATOM 757 N GLY A 49 92.158 -1.759 3.412 1.00 1.00 N ATOM 758 CA GLY A 49 91.337 -1.327 4.583 1.00 1.00 C ATOM 759 C GLY A 49 90.259 -0.346 4.119 1.00 1.00 C ATOM 760 O GLY A 49 90.012 0.664 4.749 1.00 1.00 O ATOM 0 H GLY A 49 91.659 -2.318 2.719 1.00 1.00 H new ATOM 0 HA2 GLY A 49 90.875 -2.194 5.056 1.00 1.00 H new ATOM 0 HA3 GLY A 49 91.973 -0.856 5.332 1.00 1.00 H new ATOM 764 N CYS A 50 89.612 -0.634 3.022 1.00 1.00 N ATOM 765 CA CYS A 50 88.550 0.284 2.522 1.00 1.00 C ATOM 766 C CYS A 50 87.390 0.314 3.520 1.00 1.00 C ATOM 767 O CYS A 50 86.833 1.355 3.807 1.00 1.00 O ATOM 768 CB CYS A 50 88.043 -0.213 1.166 1.00 1.00 C ATOM 769 SG CYS A 50 86.878 0.991 0.480 1.00 1.00 S ATOM 0 H CYS A 50 89.773 -1.464 2.452 1.00 1.00 H new ATOM 0 HA CYS A 50 88.960 1.288 2.411 1.00 1.00 H new ATOM 0 HB2 CYS A 50 88.880 -0.355 0.483 1.00 1.00 H new ATOM 0 HB3 CYS A 50 87.556 -1.182 1.280 1.00 1.00 H new ATOM 774 N GLY A 51 87.022 -0.819 4.052 1.00 1.00 N ATOM 775 CA GLY A 51 85.899 -0.852 5.032 1.00 1.00 C ATOM 776 C GLY A 51 86.435 -0.545 6.431 1.00 1.00 C ATOM 777 O GLY A 51 85.807 -0.844 7.427 1.00 1.00 O ATOM 0 H GLY A 51 87.450 -1.723 3.851 1.00 1.00 H new ATOM 0 HA2 GLY A 51 85.138 -0.123 4.754 1.00 1.00 H new ATOM 0 HA3 GLY A 51 85.421 -1.831 5.021 1.00 1.00 H new ATOM 781 N ASP A 52 87.594 0.049 6.514 1.00 1.00 N ATOM 782 CA ASP A 52 88.172 0.375 7.848 1.00 1.00 C ATOM 783 C ASP A 52 87.128 1.112 8.689 1.00 1.00 C ATOM 784 O ASP A 52 86.218 1.726 8.169 1.00 1.00 O ATOM 785 CB ASP A 52 89.402 1.267 7.668 1.00 1.00 C ATOM 786 CG ASP A 52 89.069 2.405 6.701 1.00 1.00 C ATOM 787 OD1 ASP A 52 87.898 2.590 6.416 1.00 1.00 O ATOM 788 OD2 ASP A 52 89.992 3.071 6.261 1.00 1.00 O ATOM 0 H ASP A 52 88.166 0.323 5.715 1.00 1.00 H new ATOM 0 HA ASP A 52 88.462 -0.547 8.353 1.00 1.00 H new ATOM 0 HB2 ASP A 52 89.714 1.673 8.630 1.00 1.00 H new ATOM 0 HB3 ASP A 52 90.237 0.681 7.283 1.00 1.00 H new ATOM 793 N ASP A 53 87.253 1.055 9.986 1.00 1.00 N ATOM 794 CA ASP A 53 86.268 1.753 10.860 1.00 1.00 C ATOM 795 C ASP A 53 86.171 3.224 10.449 1.00 1.00 C ATOM 796 O ASP A 53 85.100 3.794 10.398 1.00 1.00 O ATOM 797 CB ASP A 53 86.724 1.658 12.317 1.00 1.00 C ATOM 798 CG ASP A 53 86.966 0.192 12.682 1.00 1.00 C ATOM 799 OD1 ASP A 53 86.042 -0.593 12.541 1.00 1.00 O ATOM 800 OD2 ASP A 53 88.070 -0.120 13.096 1.00 1.00 O ATOM 0 H ASP A 53 87.994 0.556 10.478 1.00 1.00 H new ATOM 0 HA ASP A 53 85.290 1.283 10.754 1.00 1.00 H new ATOM 0 HB2 ASP A 53 87.637 2.235 12.462 1.00 1.00 H new ATOM 0 HB3 ASP A 53 85.968 2.087 12.974 1.00 1.00 H new ATOM 805 N ILE A 54 87.283 3.844 10.159 1.00 1.00 N ATOM 806 CA ILE A 54 87.253 5.279 9.755 1.00 1.00 C ATOM 807 C ILE A 54 86.377 5.446 8.503 1.00 1.00 C ATOM 808 O ILE A 54 86.708 4.944 7.447 1.00 1.00 O ATOM 809 CB ILE A 54 88.677 5.741 9.434 1.00 1.00 C ATOM 810 CG1 ILE A 54 89.557 5.575 10.675 1.00 1.00 C ATOM 811 CG2 ILE A 54 88.655 7.213 9.019 1.00 1.00 C ATOM 812 CD1 ILE A 54 89.413 6.806 11.572 1.00 1.00 C ATOM 0 H ILE A 54 88.210 3.419 10.184 1.00 1.00 H new ATOM 0 HA ILE A 54 86.842 5.876 10.569 1.00 1.00 H new ATOM 0 HB ILE A 54 89.079 5.140 8.618 1.00 1.00 H new ATOM 0 HG12 ILE A 54 89.267 4.678 11.222 1.00 1.00 H new ATOM 0 HG13 ILE A 54 90.599 5.446 10.381 1.00 1.00 H new ATOM 0 HG21 ILE A 54 89.669 7.542 8.791 1.00 1.00 H new ATOM 0 HG22 ILE A 54 88.027 7.333 8.136 1.00 1.00 H new ATOM 0 HG23 ILE A 54 88.253 7.815 9.834 1.00 1.00 H new ATOM 0 HD11 ILE A 54 90.040 6.688 12.456 1.00 1.00 H new ATOM 0 HD12 ILE A 54 89.724 7.695 11.023 1.00 1.00 H new ATOM 0 HD13 ILE A 54 88.372 6.914 11.877 1.00 1.00 H new ATOM 824 N PRO A 55 85.268 6.145 8.609 1.00 1.00 N ATOM 825 CA PRO A 55 84.353 6.367 7.454 1.00 1.00 C ATOM 826 C PRO A 55 84.825 7.514 6.552 1.00 1.00 C ATOM 827 O PRO A 55 85.423 8.469 7.008 1.00 1.00 O ATOM 828 CB PRO A 55 83.028 6.723 8.125 1.00 1.00 C ATOM 829 CG PRO A 55 83.419 7.398 9.400 1.00 1.00 C ATOM 830 CD PRO A 55 84.763 6.795 9.829 1.00 1.00 C ATOM 0 HA PRO A 55 84.296 5.497 6.799 1.00 1.00 H new ATOM 0 HB2 PRO A 55 82.429 7.381 7.496 1.00 1.00 H new ATOM 0 HB3 PRO A 55 82.429 5.833 8.316 1.00 1.00 H new ATOM 0 HG2 PRO A 55 83.507 8.475 9.256 1.00 1.00 H new ATOM 0 HG3 PRO A 55 82.662 7.240 10.168 1.00 1.00 H new ATOM 0 HD2 PRO A 55 85.449 7.563 10.185 1.00 1.00 H new ATOM 0 HD3 PRO A 55 84.638 6.078 10.641 1.00 1.00 H new ATOM 838 N GLY A 56 84.558 7.426 5.275 1.00 1.00 N ATOM 839 CA GLY A 56 84.986 8.508 4.338 1.00 1.00 C ATOM 840 C GLY A 56 86.193 8.034 3.528 1.00 1.00 C ATOM 841 O GLY A 56 86.199 8.092 2.314 1.00 1.00 O ATOM 0 H GLY A 56 84.061 6.649 4.839 1.00 1.00 H new ATOM 0 HA2 GLY A 56 84.166 8.770 3.669 1.00 1.00 H new ATOM 0 HA3 GLY A 56 85.241 9.408 4.897 1.00 1.00 H new ATOM 845 N MET A 57 87.215 7.564 4.188 1.00 1.00 N ATOM 846 CA MET A 57 88.420 7.086 3.454 1.00 1.00 C ATOM 847 C MET A 57 88.014 5.998 2.458 1.00 1.00 C ATOM 848 O MET A 57 88.822 5.509 1.694 1.00 1.00 O ATOM 849 CB MET A 57 89.429 6.515 4.452 1.00 1.00 C ATOM 850 CG MET A 57 89.938 7.635 5.361 1.00 1.00 C ATOM 851 SD MET A 57 90.966 8.773 4.399 1.00 1.00 S ATOM 852 CE MET A 57 90.804 10.205 5.494 1.00 1.00 C ATOM 0 H MET A 57 87.268 7.490 5.204 1.00 1.00 H new ATOM 0 HA MET A 57 88.872 7.919 2.915 1.00 1.00 H new ATOM 0 HB2 MET A 57 88.962 5.732 5.049 1.00 1.00 H new ATOM 0 HB3 MET A 57 90.263 6.057 3.920 1.00 1.00 H new ATOM 0 HG2 MET A 57 89.097 8.171 5.801 1.00 1.00 H new ATOM 0 HG3 MET A 57 90.515 7.215 6.185 1.00 1.00 H new ATOM 0 HE1 MET A 57 91.371 11.041 5.085 1.00 1.00 H new ATOM 0 HE2 MET A 57 89.753 10.484 5.575 1.00 1.00 H new ATOM 0 HE3 MET A 57 91.190 9.953 6.482 1.00 1.00 H new ATOM 862 N GLU A 58 86.766 5.614 2.460 1.00 1.00 N ATOM 863 CA GLU A 58 86.307 4.557 1.514 1.00 1.00 C ATOM 864 C GLU A 58 85.901 5.202 0.187 1.00 1.00 C ATOM 865 O GLU A 58 86.264 6.324 -0.106 1.00 1.00 O ATOM 866 CB GLU A 58 85.107 3.818 2.118 1.00 1.00 C ATOM 867 CG GLU A 58 85.240 3.787 3.642 1.00 1.00 C ATOM 868 CD GLU A 58 84.359 2.672 4.209 1.00 1.00 C ATOM 869 OE1 GLU A 58 83.734 1.980 3.422 1.00 1.00 O ATOM 870 OE2 GLU A 58 84.325 2.529 5.420 1.00 1.00 O ATOM 0 H GLU A 58 86.044 5.987 3.076 1.00 1.00 H new ATOM 0 HA GLU A 58 87.116 3.848 1.338 1.00 1.00 H new ATOM 0 HB2 GLU A 58 84.180 4.315 1.833 1.00 1.00 H new ATOM 0 HB3 GLU A 58 85.057 2.802 1.726 1.00 1.00 H new ATOM 0 HG2 GLU A 58 86.280 3.622 3.924 1.00 1.00 H new ATOM 0 HG3 GLU A 58 84.945 4.748 4.063 1.00 1.00 H new ATOM 877 N GLY A 59 85.150 4.502 -0.620 1.00 1.00 N ATOM 878 CA GLY A 59 84.722 5.078 -1.926 1.00 1.00 C ATOM 879 C GLY A 59 83.620 4.210 -2.536 1.00 1.00 C ATOM 880 O GLY A 59 82.485 4.241 -2.106 1.00 1.00 O ATOM 0 H GLY A 59 84.815 3.557 -0.431 1.00 1.00 H new ATOM 0 HA2 GLY A 59 84.360 6.096 -1.784 1.00 1.00 H new ATOM 0 HA3 GLY A 59 85.572 5.134 -2.606 1.00 1.00 H new ATOM 884 N CYS A 60 83.953 3.437 -3.537 1.00 1.00 N ATOM 885 CA CYS A 60 82.939 2.559 -4.189 1.00 1.00 C ATOM 886 C CYS A 60 81.783 3.409 -4.723 1.00 1.00 C ATOM 887 O CYS A 60 81.267 4.274 -4.043 1.00 1.00 O ATOM 888 CB CYS A 60 82.402 1.548 -3.173 1.00 1.00 C ATOM 889 SG CYS A 60 80.985 0.674 -3.883 1.00 1.00 S ATOM 0 H CYS A 60 84.891 3.377 -3.933 1.00 1.00 H new ATOM 0 HA CYS A 60 83.408 2.027 -5.017 1.00 1.00 H new ATOM 0 HB2 CYS A 60 83.183 0.837 -2.903 1.00 1.00 H new ATOM 0 HB3 CYS A 60 82.106 2.059 -2.257 1.00 1.00 H new ATOM 894 N GLY A 61 81.371 3.163 -5.937 1.00 1.00 N ATOM 895 CA GLY A 61 80.245 3.947 -6.523 1.00 1.00 C ATOM 896 C GLY A 61 79.473 3.062 -7.497 1.00 1.00 C ATOM 897 O GLY A 61 78.260 3.096 -7.559 1.00 1.00 O ATOM 0 H GLY A 61 81.767 2.451 -6.551 1.00 1.00 H new ATOM 0 HA2 GLY A 61 79.583 4.303 -5.733 1.00 1.00 H new ATOM 0 HA3 GLY A 61 80.628 4.828 -7.038 1.00 1.00 H new ATOM 901 N THR A 62 80.169 2.265 -8.259 1.00 1.00 N ATOM 902 CA THR A 62 79.483 1.376 -9.227 1.00 1.00 C ATOM 903 C THR A 62 78.563 0.425 -8.461 1.00 1.00 C ATOM 904 O THR A 62 78.971 -0.236 -7.528 1.00 1.00 O ATOM 905 CB THR A 62 80.529 0.573 -10.017 1.00 1.00 C ATOM 906 OG1 THR A 62 81.831 0.936 -9.580 1.00 1.00 O ATOM 907 CG2 THR A 62 80.387 0.876 -11.510 1.00 1.00 C ATOM 0 H THR A 62 81.186 2.194 -8.250 1.00 1.00 H new ATOM 0 HA THR A 62 78.893 1.970 -9.925 1.00 1.00 H new ATOM 0 HB THR A 62 80.373 -0.492 -9.849 1.00 1.00 H new ATOM 0 HG1 THR A 62 82.499 0.424 -10.082 1.00 1.00 H new ATOM 0 HG21 THR A 62 81.129 0.306 -12.069 1.00 1.00 H new ATOM 0 HG22 THR A 62 79.388 0.597 -11.844 1.00 1.00 H new ATOM 0 HG23 THR A 62 80.543 1.941 -11.682 1.00 1.00 H new ATOM 915 N ASP A 63 77.325 0.363 -8.852 1.00 1.00 N ATOM 916 CA ASP A 63 76.354 -0.536 -8.159 1.00 1.00 C ATOM 917 C ASP A 63 76.890 -1.974 -8.132 1.00 1.00 C ATOM 918 O ASP A 63 76.197 -2.895 -7.748 1.00 1.00 O ATOM 919 CB ASP A 63 75.017 -0.507 -8.902 1.00 1.00 C ATOM 920 CG ASP A 63 75.262 -0.682 -10.402 1.00 1.00 C ATOM 921 OD1 ASP A 63 75.634 -1.775 -10.797 1.00 1.00 O ATOM 922 OD2 ASP A 63 75.074 0.279 -11.129 1.00 1.00 O ATOM 0 H ASP A 63 76.936 0.899 -9.628 1.00 1.00 H new ATOM 0 HA ASP A 63 76.216 -0.189 -7.135 1.00 1.00 H new ATOM 0 HB2 ASP A 63 74.367 -1.301 -8.534 1.00 1.00 H new ATOM 0 HB3 ASP A 63 74.505 0.437 -8.714 1.00 1.00 H new ATOM 927 N ILE A 64 78.118 -2.176 -8.528 1.00 1.00 N ATOM 928 CA ILE A 64 78.695 -3.549 -8.513 1.00 1.00 C ATOM 929 C ILE A 64 80.209 -3.451 -8.378 1.00 1.00 C ATOM 930 O ILE A 64 80.902 -4.446 -8.432 1.00 1.00 O ATOM 931 CB ILE A 64 78.359 -4.272 -9.821 1.00 1.00 C ATOM 932 CG1 ILE A 64 78.760 -5.744 -9.706 1.00 1.00 C ATOM 933 CG2 ILE A 64 79.127 -3.624 -10.975 1.00 1.00 C ATOM 934 CD1 ILE A 64 78.003 -6.564 -10.753 1.00 1.00 C ATOM 0 H ILE A 64 78.747 -1.446 -8.862 1.00 1.00 H new ATOM 0 HA ILE A 64 78.276 -4.105 -7.674 1.00 1.00 H new ATOM 0 HB ILE A 64 77.288 -4.199 -10.011 1.00 1.00 H new ATOM 0 HG12 ILE A 64 79.835 -5.851 -9.852 1.00 1.00 H new ATOM 0 HG13 ILE A 64 78.536 -6.116 -8.706 1.00 1.00 H new ATOM 0 HG21 ILE A 64 78.888 -4.139 -11.906 1.00 1.00 H new ATOM 0 HG22 ILE A 64 78.843 -2.575 -11.057 1.00 1.00 H new ATOM 0 HG23 ILE A 64 80.198 -3.696 -10.785 1.00 1.00 H new ATOM 0 HD11 ILE A 64 78.289 -7.613 -10.671 1.00 1.00 H new ATOM 0 HD12 ILE A 64 76.930 -6.466 -10.586 1.00 1.00 H new ATOM 0 HD13 ILE A 64 78.250 -6.198 -11.750 1.00 1.00 H new ATOM 946 N THR A 65 80.733 -2.257 -8.227 1.00 1.00 N ATOM 947 CA THR A 65 82.214 -2.104 -8.121 1.00 1.00 C ATOM 948 C THR A 65 82.848 -3.206 -8.962 1.00 1.00 C ATOM 949 O THR A 65 83.783 -3.865 -8.556 1.00 1.00 O ATOM 950 CB THR A 65 82.660 -2.230 -6.659 1.00 1.00 C ATOM 951 OG1 THR A 65 84.079 -2.215 -6.596 1.00 1.00 O ATOM 952 CG2 THR A 65 82.135 -3.542 -6.074 1.00 1.00 C ATOM 0 H THR A 65 80.200 -1.389 -8.173 1.00 1.00 H new ATOM 0 HA THR A 65 82.523 -1.122 -8.479 1.00 1.00 H new ATOM 0 HB THR A 65 82.261 -1.394 -6.084 1.00 1.00 H new ATOM 0 HG1 THR A 65 84.440 -2.912 -7.183 1.00 1.00 H new ATOM 0 HG21 THR A 65 82.453 -3.630 -5.035 1.00 1.00 H new ATOM 0 HG22 THR A 65 81.046 -3.552 -6.123 1.00 1.00 H new ATOM 0 HG23 THR A 65 82.531 -4.380 -6.647 1.00 1.00 H new ATOM 960 N VAL A 66 82.289 -3.433 -10.123 1.00 1.00 N ATOM 961 CA VAL A 66 82.783 -4.517 -11.009 1.00 1.00 C ATOM 962 C VAL A 66 82.318 -5.849 -10.414 1.00 1.00 C ATOM 963 O VAL A 66 81.700 -6.659 -11.076 1.00 1.00 O ATOM 964 CB VAL A 66 84.318 -4.481 -11.097 1.00 1.00 C ATOM 965 CG1 VAL A 66 84.772 -5.158 -12.392 1.00 1.00 C ATOM 966 CG2 VAL A 66 84.794 -3.027 -11.090 1.00 1.00 C ATOM 0 H VAL A 66 81.501 -2.903 -10.495 1.00 1.00 H new ATOM 0 HA VAL A 66 82.390 -4.391 -12.018 1.00 1.00 H new ATOM 0 HB VAL A 66 84.743 -5.008 -10.243 1.00 1.00 H new ATOM 0 HG11 VAL A 66 85.860 -5.132 -12.454 1.00 1.00 H new ATOM 0 HG12 VAL A 66 84.433 -6.194 -12.399 1.00 1.00 H new ATOM 0 HG13 VAL A 66 84.347 -4.631 -13.246 1.00 1.00 H new ATOM 0 HG21 VAL A 66 85.882 -3.000 -11.152 1.00 1.00 H new ATOM 0 HG22 VAL A 66 84.368 -2.501 -11.944 1.00 1.00 H new ATOM 0 HG23 VAL A 66 84.471 -2.543 -10.168 1.00 1.00 H new ATOM 976 N ILE A 67 82.594 -6.060 -9.155 1.00 1.00 N ATOM 977 CA ILE A 67 82.160 -7.314 -8.474 1.00 1.00 C ATOM 978 C ILE A 67 81.691 -6.979 -7.052 1.00 1.00 C ATOM 979 O ILE A 67 82.481 -6.963 -6.129 1.00 1.00 O ATOM 980 CB ILE A 67 83.331 -8.298 -8.407 1.00 1.00 C ATOM 981 CG1 ILE A 67 83.699 -8.747 -9.823 1.00 1.00 C ATOM 982 CG2 ILE A 67 82.928 -9.517 -7.575 1.00 1.00 C ATOM 983 CD1 ILE A 67 84.971 -9.597 -9.775 1.00 1.00 C ATOM 0 H ILE A 67 83.108 -5.408 -8.562 1.00 1.00 H new ATOM 0 HA ILE A 67 81.342 -7.768 -9.034 1.00 1.00 H new ATOM 0 HB ILE A 67 84.189 -7.811 -7.944 1.00 1.00 H new ATOM 0 HG12 ILE A 67 82.881 -9.322 -10.258 1.00 1.00 H new ATOM 0 HG13 ILE A 67 83.853 -7.878 -10.463 1.00 1.00 H new ATOM 0 HG21 ILE A 67 83.762 -10.217 -7.528 1.00 1.00 H new ATOM 0 HG22 ILE A 67 82.664 -9.198 -6.567 1.00 1.00 H new ATOM 0 HG23 ILE A 67 82.070 -10.005 -8.037 1.00 1.00 H new ATOM 0 HD11 ILE A 67 85.233 -9.917 -10.784 1.00 1.00 H new ATOM 0 HD12 ILE A 67 85.787 -9.007 -9.358 1.00 1.00 H new ATOM 0 HD13 ILE A 67 84.800 -10.473 -9.150 1.00 1.00 H new ATOM 995 N CYS A 68 80.429 -6.712 -6.849 1.00 1.00 N ATOM 996 CA CYS A 68 79.970 -6.388 -5.468 1.00 1.00 C ATOM 997 C CYS A 68 80.065 -7.647 -4.596 1.00 1.00 C ATOM 998 O CYS A 68 79.481 -8.666 -4.908 1.00 1.00 O ATOM 999 CB CYS A 68 78.519 -5.894 -5.505 1.00 1.00 C ATOM 1000 SG CYS A 68 78.479 -4.116 -5.170 1.00 1.00 S ATOM 0 H CYS A 68 79.705 -6.704 -7.568 1.00 1.00 H new ATOM 0 HA CYS A 68 80.601 -5.604 -5.050 1.00 1.00 H new ATOM 0 HB2 CYS A 68 78.078 -6.101 -6.480 1.00 1.00 H new ATOM 0 HB3 CYS A 68 77.923 -6.428 -4.765 1.00 1.00 H new ATOM 1005 N PRO A 69 80.804 -7.589 -3.509 1.00 1.00 N ATOM 1006 CA PRO A 69 80.975 -8.753 -2.589 1.00 1.00 C ATOM 1007 C PRO A 69 79.659 -9.480 -2.285 1.00 1.00 C ATOM 1008 O PRO A 69 79.646 -10.493 -1.614 1.00 1.00 O ATOM 1009 CB PRO A 69 81.542 -8.127 -1.315 1.00 1.00 C ATOM 1010 CG PRO A 69 82.271 -6.908 -1.777 1.00 1.00 C ATOM 1011 CD PRO A 69 81.555 -6.413 -3.039 1.00 1.00 C ATOM 0 HA PRO A 69 81.616 -9.515 -3.032 1.00 1.00 H new ATOM 0 HB2 PRO A 69 80.748 -7.870 -0.614 1.00 1.00 H new ATOM 0 HB3 PRO A 69 82.211 -8.816 -0.800 1.00 1.00 H new ATOM 0 HG2 PRO A 69 82.267 -6.139 -1.004 1.00 1.00 H new ATOM 0 HG3 PRO A 69 83.314 -7.140 -1.991 1.00 1.00 H new ATOM 0 HD2 PRO A 69 80.891 -5.577 -2.819 1.00 1.00 H new ATOM 0 HD3 PRO A 69 82.265 -6.067 -3.790 1.00 1.00 H new ATOM 1019 N TRP A 70 78.553 -8.985 -2.765 1.00 1.00 N ATOM 1020 CA TRP A 70 77.264 -9.675 -2.483 1.00 1.00 C ATOM 1021 C TRP A 70 77.339 -11.102 -3.027 1.00 1.00 C ATOM 1022 O TRP A 70 77.119 -12.060 -2.313 1.00 1.00 O ATOM 1023 CB TRP A 70 76.112 -8.922 -3.155 1.00 1.00 C ATOM 1024 CG TRP A 70 74.875 -9.760 -3.111 1.00 1.00 C ATOM 1025 CD1 TRP A 70 74.562 -10.631 -2.124 1.00 1.00 C ATOM 1026 CD2 TRP A 70 73.783 -9.823 -4.074 1.00 1.00 C ATOM 1027 NE1 TRP A 70 73.348 -11.224 -2.419 1.00 1.00 N ATOM 1028 CE2 TRP A 70 72.827 -10.760 -3.610 1.00 1.00 C ATOM 1029 CE3 TRP A 70 73.530 -9.166 -5.291 1.00 1.00 C ATOM 1030 CZ2 TRP A 70 71.662 -11.034 -4.331 1.00 1.00 C ATOM 1031 CZ3 TRP A 70 72.361 -9.438 -6.017 1.00 1.00 C ATOM 1032 CH2 TRP A 70 71.429 -10.370 -5.540 1.00 1.00 C ATOM 0 H TRP A 70 78.485 -8.142 -3.334 1.00 1.00 H new ATOM 0 HA TRP A 70 77.086 -9.699 -1.408 1.00 1.00 H new ATOM 0 HB2 TRP A 70 75.939 -7.973 -2.648 1.00 1.00 H new ATOM 0 HB3 TRP A 70 76.370 -8.689 -4.188 1.00 1.00 H new ATOM 0 HD1 TRP A 70 75.162 -10.831 -1.249 1.00 1.00 H new ATOM 0 HE1 TRP A 70 72.893 -11.920 -1.828 1.00 1.00 H new ATOM 0 HE3 TRP A 70 74.241 -8.447 -5.670 1.00 1.00 H new ATOM 0 HZ2 TRP A 70 70.947 -11.753 -3.958 1.00 1.00 H new ATOM 0 HZ3 TRP A 70 72.178 -8.926 -6.950 1.00 1.00 H new ATOM 0 HH2 TRP A 70 70.532 -10.575 -6.105 1.00 1.00 H new ATOM 1043 N GLU A 71 77.662 -11.253 -4.281 1.00 1.00 N ATOM 1044 CA GLU A 71 77.767 -12.620 -4.861 1.00 1.00 C ATOM 1045 C GLU A 71 79.159 -13.178 -4.557 1.00 1.00 C ATOM 1046 O GLU A 71 79.327 -14.022 -3.700 1.00 1.00 O ATOM 1047 CB GLU A 71 77.558 -12.549 -6.376 1.00 1.00 C ATOM 1048 CG GLU A 71 76.084 -12.270 -6.676 1.00 1.00 C ATOM 1049 CD GLU A 71 75.899 -12.064 -8.181 1.00 1.00 C ATOM 1050 OE1 GLU A 71 76.013 -10.933 -8.623 1.00 1.00 O ATOM 1051 OE2 GLU A 71 75.647 -13.042 -8.866 1.00 1.00 O ATOM 0 H GLU A 71 77.858 -10.490 -4.929 1.00 1.00 H new ATOM 0 HA GLU A 71 77.007 -13.269 -4.427 1.00 1.00 H new ATOM 0 HB2 GLU A 71 78.182 -11.764 -6.803 1.00 1.00 H new ATOM 0 HB3 GLU A 71 77.863 -13.487 -6.840 1.00 1.00 H new ATOM 0 HG2 GLU A 71 75.469 -13.102 -6.334 1.00 1.00 H new ATOM 0 HG3 GLU A 71 75.753 -11.384 -6.134 1.00 1.00 H new ATOM 1058 N ALA A 72 80.160 -12.704 -5.248 1.00 1.00 N ATOM 1059 CA ALA A 72 81.544 -13.196 -4.992 1.00 1.00 C ATOM 1060 C ALA A 72 82.093 -12.530 -3.728 1.00 1.00 C ATOM 1061 O ALA A 72 82.896 -11.620 -3.796 1.00 1.00 O ATOM 1062 CB ALA A 72 82.442 -12.848 -6.181 1.00 1.00 C ATOM 0 H ALA A 72 80.079 -11.997 -5.979 1.00 1.00 H new ATOM 0 HA ALA A 72 81.525 -14.278 -4.858 1.00 1.00 H new ATOM 0 HB1 ALA A 72 83.453 -13.209 -5.991 1.00 1.00 H new ATOM 0 HB2 ALA A 72 82.051 -13.320 -7.082 1.00 1.00 H new ATOM 0 HB3 ALA A 72 82.462 -11.767 -6.317 1.00 1.00 H new ATOM 1068 N CYS A 73 81.667 -12.969 -2.576 1.00 1.00 N ATOM 1069 CA CYS A 73 82.170 -12.349 -1.317 1.00 1.00 C ATOM 1070 C CYS A 73 83.698 -12.284 -1.358 1.00 1.00 C ATOM 1071 O CYS A 73 84.377 -13.265 -1.132 1.00 1.00 O ATOM 1072 CB CYS A 73 81.722 -13.191 -0.118 1.00 1.00 C ATOM 1073 SG CYS A 73 81.638 -12.144 1.356 1.00 1.00 S ATOM 0 H CYS A 73 80.996 -13.727 -2.451 1.00 1.00 H new ATOM 0 HA CYS A 73 81.767 -11.341 -1.220 1.00 1.00 H new ATOM 0 HB2 CYS A 73 80.747 -13.637 -0.317 1.00 1.00 H new ATOM 0 HB3 CYS A 73 82.420 -14.012 0.045 1.00 1.00 H new ATOM 1078 N ASN A 74 84.242 -11.133 -1.648 1.00 1.00 N ATOM 1079 CA ASN A 74 85.725 -11.004 -1.710 1.00 1.00 C ATOM 1080 C ASN A 74 86.297 -10.947 -0.292 1.00 1.00 C ATOM 1081 O ASN A 74 86.982 -10.012 0.073 1.00 1.00 O ATOM 1082 CB ASN A 74 86.095 -9.723 -2.460 1.00 1.00 C ATOM 1083 CG ASN A 74 85.830 -9.912 -3.955 1.00 1.00 C ATOM 1084 OD1 ASN A 74 84.797 -9.514 -4.456 1.00 1.00 O ATOM 1085 ND2 ASN A 74 86.727 -10.507 -4.694 1.00 1.00 N ATOM 0 H ASN A 74 83.723 -10.277 -1.845 1.00 1.00 H new ATOM 0 HA ASN A 74 86.140 -11.866 -2.233 1.00 1.00 H new ATOM 0 HB2 ASN A 74 85.511 -8.885 -2.080 1.00 1.00 H new ATOM 0 HB3 ASN A 74 87.145 -9.482 -2.294 1.00 1.00 H new ATOM 0 HD21 ASN A 74 86.561 -10.638 -5.692 1.00 1.00 H new ATOM 0 HD22 ASN A 74 87.594 -10.841 -4.274 1.00 1.00 H new ATOM 1092 N HIS A 75 86.026 -11.942 0.508 1.00 1.00 N ATOM 1093 CA HIS A 75 86.560 -11.949 1.899 1.00 1.00 C ATOM 1094 C HIS A 75 85.908 -10.823 2.707 1.00 1.00 C ATOM 1095 O HIS A 75 86.051 -9.658 2.393 1.00 1.00 O ATOM 1096 CB HIS A 75 88.079 -11.741 1.860 1.00 1.00 C ATOM 1097 CG HIS A 75 88.707 -12.398 3.058 1.00 1.00 C ATOM 1098 ND1 HIS A 75 87.964 -12.780 4.166 1.00 1.00 N ATOM 1099 CD2 HIS A 75 90.006 -12.749 3.337 1.00 1.00 C ATOM 1100 CE1 HIS A 75 88.811 -13.332 5.053 1.00 1.00 C ATOM 1101 NE2 HIS A 75 90.065 -13.337 4.597 1.00 1.00 N ATOM 0 H HIS A 75 85.457 -12.751 0.258 1.00 1.00 H new ATOM 0 HA HIS A 75 86.335 -12.906 2.370 1.00 1.00 H new ATOM 0 HB2 HIS A 75 88.491 -12.163 0.943 1.00 1.00 H new ATOM 0 HB3 HIS A 75 88.311 -10.676 1.853 1.00 1.00 H new ATOM 0 HD2 HIS A 75 90.850 -12.593 2.681 1.00 1.00 H new ATOM 0 HE1 HIS A 75 88.513 -13.723 6.015 1.00 1.00 H new ATOM 0 HE2 HIS A 75 90.893 -13.696 5.072 1.00 1.00 H new ATOM 1110 N CYS A 76 85.194 -11.163 3.746 1.00 1.00 N ATOM 1111 CA CYS A 76 84.534 -10.115 4.575 1.00 1.00 C ATOM 1112 C CYS A 76 83.806 -10.777 5.747 1.00 1.00 C ATOM 1113 O CYS A 76 83.681 -10.208 6.813 1.00 1.00 O ATOM 1114 CB CYS A 76 83.528 -9.344 3.716 1.00 1.00 C ATOM 1115 SG CYS A 76 82.393 -8.431 4.790 1.00 1.00 S ATOM 0 H CYS A 76 85.039 -12.122 4.056 1.00 1.00 H new ATOM 0 HA CYS A 76 85.286 -9.426 4.958 1.00 1.00 H new ATOM 0 HB2 CYS A 76 84.052 -8.655 3.053 1.00 1.00 H new ATOM 0 HB3 CYS A 76 82.971 -10.034 3.082 1.00 1.00 H new ATOM 1120 N GLU A 77 83.322 -11.974 5.557 1.00 1.00 N ATOM 1121 CA GLU A 77 82.601 -12.670 6.661 1.00 1.00 C ATOM 1122 C GLU A 77 83.513 -12.753 7.889 1.00 1.00 C ATOM 1123 O GLU A 77 84.641 -12.302 7.868 1.00 1.00 O ATOM 1124 CB GLU A 77 82.215 -14.083 6.203 1.00 1.00 C ATOM 1125 CG GLU A 77 80.879 -14.479 6.834 1.00 1.00 C ATOM 1126 CD GLU A 77 80.503 -15.894 6.390 1.00 1.00 C ATOM 1127 OE1 GLU A 77 81.191 -16.820 6.785 1.00 1.00 O ATOM 1128 OE2 GLU A 77 79.533 -16.026 5.661 1.00 1.00 O ATOM 0 H GLU A 77 83.394 -12.500 4.686 1.00 1.00 H new ATOM 0 HA GLU A 77 81.699 -12.116 6.920 1.00 1.00 H new ATOM 0 HB2 GLU A 77 82.140 -14.116 5.116 1.00 1.00 H new ATOM 0 HB3 GLU A 77 82.990 -14.794 6.491 1.00 1.00 H new ATOM 0 HG2 GLU A 77 80.951 -14.435 7.921 1.00 1.00 H new ATOM 0 HG3 GLU A 77 80.102 -13.775 6.537 1.00 1.00 H new ATOM 1135 N LEU A 78 83.032 -13.325 8.959 1.00 1.00 N ATOM 1136 CA LEU A 78 83.872 -13.435 10.185 1.00 1.00 C ATOM 1137 C LEU A 78 83.292 -14.519 11.099 1.00 1.00 C ATOM 1138 O LEU A 78 83.695 -14.666 12.236 1.00 1.00 O ATOM 1139 CB LEU A 78 83.881 -12.086 10.918 1.00 1.00 C ATOM 1140 CG LEU A 78 85.245 -11.867 11.576 1.00 1.00 C ATOM 1141 CD1 LEU A 78 86.301 -11.627 10.495 1.00 1.00 C ATOM 1142 CD2 LEU A 78 85.174 -10.648 12.498 1.00 1.00 C ATOM 0 H LEU A 78 82.095 -13.720 9.037 1.00 1.00 H new ATOM 0 HA LEU A 78 84.893 -13.702 9.911 1.00 1.00 H new ATOM 0 HB2 LEU A 78 83.671 -11.278 10.217 1.00 1.00 H new ATOM 0 HB3 LEU A 78 83.095 -12.066 11.673 1.00 1.00 H new ATOM 0 HG LEU A 78 85.515 -12.749 12.157 1.00 1.00 H new ATOM 0 HD11 LEU A 78 87.273 -11.471 10.964 1.00 1.00 H new ATOM 0 HD12 LEU A 78 86.351 -12.494 9.836 1.00 1.00 H new ATOM 0 HD13 LEU A 78 86.033 -10.745 9.914 1.00 1.00 H new ATOM 0 HD21 LEU A 78 86.145 -10.490 12.968 1.00 1.00 H new ATOM 0 HD22 LEU A 78 84.905 -9.767 11.916 1.00 1.00 H new ATOM 0 HD23 LEU A 78 84.421 -10.818 13.268 1.00 1.00 H new ATOM 1154 N HIS A 79 82.349 -15.277 10.609 1.00 1.00 N ATOM 1155 CA HIS A 79 81.741 -16.351 11.444 1.00 1.00 C ATOM 1156 C HIS A 79 81.143 -15.739 12.712 1.00 1.00 C ATOM 1157 O HIS A 79 80.828 -16.433 13.658 1.00 1.00 O ATOM 1158 CB HIS A 79 82.816 -17.370 11.827 1.00 1.00 C ATOM 1159 CG HIS A 79 83.671 -17.673 10.628 1.00 1.00 C ATOM 1160 ND1 HIS A 79 85.031 -17.925 10.734 1.00 1.00 N ATOM 1161 CD2 HIS A 79 83.375 -17.767 9.289 1.00 1.00 C ATOM 1162 CE1 HIS A 79 85.500 -18.157 9.495 1.00 1.00 C ATOM 1163 NE2 HIS A 79 84.533 -18.073 8.580 1.00 1.00 N ATOM 0 H HIS A 79 81.973 -15.198 9.664 1.00 1.00 H new ATOM 0 HA HIS A 79 80.954 -16.848 10.877 1.00 1.00 H new ATOM 0 HB2 HIS A 79 83.432 -16.978 12.636 1.00 1.00 H new ATOM 0 HB3 HIS A 79 82.351 -18.284 12.195 1.00 1.00 H new ATOM 0 HD2 HIS A 79 82.396 -17.625 8.855 1.00 1.00 H new ATOM 0 HE1 HIS A 79 86.532 -18.383 9.269 1.00 1.00 H new ATOM 0 HE2 HIS A 79 84.623 -18.205 7.573 1.00 1.00 H new ATOM 1172 N GLU A 80 80.982 -14.443 12.736 1.00 1.00 N ATOM 1173 CA GLU A 80 80.402 -13.777 13.940 1.00 1.00 C ATOM 1174 C GLU A 80 79.363 -12.747 13.495 1.00 1.00 C ATOM 1175 O GLU A 80 78.351 -12.554 14.138 1.00 1.00 O ATOM 1176 CB GLU A 80 81.514 -13.076 14.722 1.00 1.00 C ATOM 1177 CG GLU A 80 81.001 -12.700 16.113 1.00 1.00 C ATOM 1178 CD GLU A 80 81.968 -11.709 16.764 1.00 1.00 C ATOM 1179 OE1 GLU A 80 83.136 -11.734 16.413 1.00 1.00 O ATOM 1180 OE2 GLU A 80 81.523 -10.942 17.602 1.00 1.00 O ATOM 0 H GLU A 80 81.228 -13.814 11.971 1.00 1.00 H new ATOM 0 HA GLU A 80 79.928 -14.523 14.578 1.00 1.00 H new ATOM 0 HB2 GLU A 80 82.381 -13.731 14.807 1.00 1.00 H new ATOM 0 HB3 GLU A 80 81.840 -12.183 14.189 1.00 1.00 H new ATOM 0 HG2 GLU A 80 80.007 -12.259 16.038 1.00 1.00 H new ATOM 0 HG3 GLU A 80 80.908 -13.593 16.731 1.00 1.00 H new ATOM 1187 N LEU A 81 79.602 -12.085 12.396 1.00 1.00 N ATOM 1188 CA LEU A 81 78.625 -11.071 11.910 1.00 1.00 C ATOM 1189 C LEU A 81 77.520 -11.778 11.121 1.00 1.00 C ATOM 1190 O LEU A 81 76.467 -11.224 10.875 1.00 1.00 O ATOM 1191 CB LEU A 81 79.342 -10.062 11.006 1.00 1.00 C ATOM 1192 CG LEU A 81 80.101 -9.051 11.867 1.00 1.00 C ATOM 1193 CD1 LEU A 81 79.104 -8.150 12.597 1.00 1.00 C ATOM 1194 CD2 LEU A 81 80.958 -9.797 12.892 1.00 1.00 C ATOM 0 H LEU A 81 80.431 -12.203 11.814 1.00 1.00 H new ATOM 0 HA LEU A 81 78.188 -10.544 12.758 1.00 1.00 H new ATOM 0 HB2 LEU A 81 80.033 -10.581 10.342 1.00 1.00 H new ATOM 0 HB3 LEU A 81 78.619 -9.546 10.374 1.00 1.00 H new ATOM 0 HG LEU A 81 80.742 -8.441 11.230 1.00 1.00 H new ATOM 0 HD11 LEU A 81 79.646 -7.430 13.210 1.00 1.00 H new ATOM 0 HD12 LEU A 81 78.493 -7.618 11.868 1.00 1.00 H new ATOM 0 HD13 LEU A 81 78.462 -8.759 13.234 1.00 1.00 H new ATOM 0 HD21 LEU A 81 81.499 -9.077 13.506 1.00 1.00 H new ATOM 0 HD22 LEU A 81 80.316 -10.407 13.528 1.00 1.00 H new ATOM 0 HD23 LEU A 81 81.670 -10.439 12.373 1.00 1.00 H new ATOM 1206 N ALA A 82 77.753 -13.000 10.727 1.00 1.00 N ATOM 1207 CA ALA A 82 76.716 -13.744 9.959 1.00 1.00 C ATOM 1208 C ALA A 82 75.514 -14.018 10.864 1.00 1.00 C ATOM 1209 O ALA A 82 75.102 -13.174 11.633 1.00 1.00 O ATOM 1210 CB ALA A 82 77.298 -15.072 9.467 1.00 1.00 C ATOM 0 H ALA A 82 78.616 -13.515 10.904 1.00 1.00 H new ATOM 0 HA ALA A 82 76.400 -13.148 9.103 1.00 1.00 H new ATOM 0 HB1 ALA A 82 76.539 -15.616 8.905 1.00 1.00 H new ATOM 0 HB2 ALA A 82 78.156 -14.877 8.823 1.00 1.00 H new ATOM 0 HB3 ALA A 82 77.614 -15.670 10.322 1.00 1.00 H new ATOM 1216 N GLN A 83 74.949 -15.192 10.774 1.00 1.00 N ATOM 1217 CA GLN A 83 73.769 -15.532 11.624 1.00 1.00 C ATOM 1218 C GLN A 83 72.611 -14.579 11.314 1.00 1.00 C ATOM 1219 O GLN A 83 71.467 -14.867 11.601 1.00 1.00 O ATOM 1220 CB GLN A 83 74.143 -15.422 13.110 1.00 1.00 C ATOM 1221 CG GLN A 83 75.353 -16.311 13.403 1.00 1.00 C ATOM 1222 CD GLN A 83 74.876 -17.718 13.771 1.00 1.00 C ATOM 1223 OE1 GLN A 83 73.780 -18.182 13.237 1.00 1.00 O flip ATOM 1224 NE2 GLN A 83 75.508 -18.401 14.552 1.00 1.00 N flip ATOM 0 H GLN A 83 75.255 -15.935 10.145 1.00 1.00 H new ATOM 0 HA GLN A 83 73.461 -16.555 11.407 1.00 1.00 H new ATOM 0 HB2 GLN A 83 74.371 -14.386 13.362 1.00 1.00 H new ATOM 0 HB3 GLN A 83 73.299 -15.723 13.731 1.00 1.00 H new ATOM 0 HG2 GLN A 83 76.006 -16.353 12.531 1.00 1.00 H new ATOM 0 HG3 GLN A 83 75.939 -15.889 14.220 1.00 1.00 H new ATOM 0 HE21 GLN A 83 76.365 -18.038 14.969 1.00 1.00 H new ATOM 0 HE22 GLN A 83 75.182 -19.338 14.790 1.00 1.00 H new ATOM 1233 N TYR A 84 72.892 -13.450 10.725 1.00 1.00 N ATOM 1234 CA TYR A 84 71.802 -12.491 10.397 1.00 1.00 C ATOM 1235 C TYR A 84 71.195 -12.868 9.043 1.00 1.00 C ATOM 1236 O TYR A 84 70.045 -12.588 8.767 1.00 1.00 O ATOM 1237 CB TYR A 84 72.379 -11.073 10.327 1.00 1.00 C ATOM 1238 CG TYR A 84 72.325 -10.438 11.696 1.00 1.00 C ATOM 1239 CD1 TYR A 84 71.088 -10.165 12.293 1.00 1.00 C ATOM 1240 CD2 TYR A 84 73.512 -10.121 12.368 1.00 1.00 C ATOM 1241 CE1 TYR A 84 71.038 -9.576 13.562 1.00 1.00 C ATOM 1242 CE2 TYR A 84 73.462 -9.532 13.637 1.00 1.00 C ATOM 1243 CZ TYR A 84 72.225 -9.260 14.234 1.00 1.00 C ATOM 1244 OH TYR A 84 72.175 -8.679 15.485 1.00 1.00 O ATOM 0 H TYR A 84 73.829 -13.151 10.457 1.00 1.00 H new ATOM 0 HA TYR A 84 71.030 -12.529 11.166 1.00 1.00 H new ATOM 0 HB2 TYR A 84 73.408 -11.105 9.970 1.00 1.00 H new ATOM 0 HB3 TYR A 84 71.813 -10.474 9.614 1.00 1.00 H new ATOM 0 HD1 TYR A 84 70.173 -10.409 11.774 1.00 1.00 H new ATOM 0 HD2 TYR A 84 74.466 -10.331 11.907 1.00 1.00 H new ATOM 0 HE1 TYR A 84 70.084 -9.365 14.023 1.00 1.00 H new ATOM 0 HE2 TYR A 84 74.377 -9.287 14.155 1.00 1.00 H new ATOM 0 HH TYR A 84 73.086 -8.526 15.811 1.00 1.00 H new ATOM 1254 N GLY A 85 71.964 -13.504 8.199 1.00 1.00 N ATOM 1255 CA GLY A 85 71.445 -13.906 6.858 1.00 1.00 C ATOM 1256 C GLY A 85 72.376 -13.359 5.776 1.00 1.00 C ATOM 1257 O GLY A 85 71.955 -12.658 4.877 1.00 1.00 O ATOM 0 H GLY A 85 72.933 -13.764 8.381 1.00 1.00 H new ATOM 0 HA2 GLY A 85 71.385 -14.992 6.788 1.00 1.00 H new ATOM 0 HA3 GLY A 85 70.435 -13.521 6.715 1.00 1.00 H new ATOM 1261 N ILE A 86 73.642 -13.668 5.858 1.00 1.00 N ATOM 1262 CA ILE A 86 74.599 -13.158 4.838 1.00 1.00 C ATOM 1263 C ILE A 86 74.396 -11.653 4.670 1.00 1.00 C ATOM 1264 O ILE A 86 73.541 -11.210 3.930 1.00 1.00 O ATOM 1265 CB ILE A 86 74.353 -13.860 3.501 1.00 1.00 C ATOM 1266 CG1 ILE A 86 74.319 -15.374 3.720 1.00 1.00 C ATOM 1267 CG2 ILE A 86 75.480 -13.513 2.526 1.00 1.00 C ATOM 1268 CD1 ILE A 86 75.602 -15.817 4.427 1.00 1.00 C ATOM 0 H ILE A 86 74.053 -14.251 6.587 1.00 1.00 H new ATOM 0 HA ILE A 86 75.620 -13.358 5.164 1.00 1.00 H new ATOM 0 HB ILE A 86 73.400 -13.529 3.088 1.00 1.00 H new ATOM 0 HG12 ILE A 86 73.449 -15.646 4.318 1.00 1.00 H new ATOM 0 HG13 ILE A 86 74.222 -15.888 2.764 1.00 1.00 H new ATOM 0 HG21 ILE A 86 75.304 -14.013 1.574 1.00 1.00 H new ATOM 0 HG22 ILE A 86 75.507 -12.435 2.370 1.00 1.00 H new ATOM 0 HG23 ILE A 86 76.433 -13.843 2.939 1.00 1.00 H new ATOM 0 HD11 ILE A 86 75.578 -16.896 4.583 1.00 1.00 H new ATOM 0 HD12 ILE A 86 76.464 -15.559 3.812 1.00 1.00 H new ATOM 0 HD13 ILE A 86 75.679 -15.313 5.390 1.00 1.00 H new ATOM 1280 N CYS A 87 75.170 -10.864 5.360 1.00 1.00 N ATOM 1281 CA CYS A 87 75.018 -9.387 5.249 1.00 1.00 C ATOM 1282 C CYS A 87 75.234 -8.961 3.794 1.00 1.00 C ATOM 1283 CB CYS A 87 76.052 -8.697 6.148 1.00 1.00 C ATOM 1284 SG CYS A 87 75.236 -7.416 7.132 1.00 1.00 S ATOM 0 H CYS A 87 75.902 -11.178 5.997 1.00 1.00 H new ATOM 0 HA CYS A 87 74.016 -9.098 5.565 1.00 1.00 H new ATOM 0 HB2 CYS A 87 76.525 -9.428 6.804 1.00 1.00 H new ATOM 0 HB3 CYS A 87 76.842 -8.256 5.540 1.00 1.00 H new TER 1289 CYS A 87 HETATM 1290 C1C RCY A 110 60.300 -4.517 -7.232 1.00 1.00 C HETATM 1291 O1G RCY A 110 60.679 -6.094 -9.371 1.00 1.00 O HETATM 1292 O1H RCY A 110 59.932 -2.575 -12.430 1.00 1.00 O HETATM 1293 O1J RCY A 110 59.265 -2.126 -5.722 1.00 1.00 O HETATM 1294 C1L RCY A 110 60.533 -5.999 -11.812 1.00 1.00 C HETATM 1295 C1M RCY A 110 59.314 -1.800 -9.543 1.00 1.00 C HETATM 1296 C1P RCY A 110 60.482 -5.431 -10.388 1.00 1.00 C HETATM 1297 C1Q RCY A 110 59.904 -3.668 -11.868 1.00 1.00 C HETATM 1298 N1R RCY A 110 60.157 -3.938 -10.390 1.00 1.00 N HETATM 1299 C1S RCY A 110 59.609 -5.005 -12.524 1.00 1.00 C HETATM 1300 C1U RCY A 110 60.097 -2.958 -9.217 1.00 1.00 C HETATM 1301 C1V RCY A 110 58.051 -4.174 -8.352 1.00 1.00 C HETATM 1302 N1V RCY A 110 59.183 -2.276 -7.172 1.00 1.00 N HETATM 1303 C1W RCY A 110 58.864 -1.198 -8.206 1.00 1.00 C HETATM 1304 C1X RCY A 110 59.397 -3.542 -7.991 1.00 1.00 C HETATM 1305 C1Y RCY A 110 57.361 -0.904 -8.227 1.00 1.00 C HETATM 1306 C1Z RCY A 110 59.656 0.066 -7.872 1.00 1.00 C HETATM 0 H1ZB RCY A 110 60.716 -0.177 -7.804 1.00 1.00 H new HETATM 0 H1ZA RCY A 110 59.504 0.809 -8.655 1.00 1.00 H new HETATM 0 H1VB RCY A 110 58.217 -5.047 -8.983 1.00 1.00 H new HETATM 0 H1VA RCY A 110 57.535 -4.477 -7.441 1.00 1.00 H new HETATM 0 H1LA RCY A 110 61.542 -6.001 -12.225 1.00 1.00 H new HETATM 0 H1Z RCY A 110 59.314 0.469 -6.919 1.00 1.00 H new HETATM 0 H1Y RCY A 110 57.060 -0.477 -7.270 1.00 1.00 H new HETATM 0 H1V RCY A 110 57.441 -3.448 -8.890 1.00 1.00 H new HETATM 0 H1S RCY A 110 58.562 -5.282 -12.405 1.00 1.00 H new HETATM 0 H1L RCY A 110 60.165 -7.024 -11.866 1.00 1.00 H new HETATM 0 H1C RCY A 110 59.765 -4.910 -6.367 1.00 1.00 H new HETATM 1309 C1C RCY A 121 65.516 -1.563 3.845 1.00 1.00 C HETATM 1310 O1G RCY A 121 64.286 -3.761 3.027 1.00 1.00 O HETATM 1311 O1H RCY A 121 60.458 -1.057 3.608 1.00 1.00 O HETATM 1312 O1J RCY A 121 66.040 -3.042 1.275 1.00 1.00 O HETATM 1313 C1L RCY A 121 62.039 -4.202 3.891 1.00 1.00 C HETATM 1314 C1M RCY A 121 63.165 -0.506 1.190 1.00 1.00 C HETATM 1315 C1P RCY A 121 63.171 -3.335 3.324 1.00 1.00 C HETATM 1316 C1Q RCY A 121 61.345 -1.892 3.783 1.00 1.00 C HETATM 1317 N1R RCY A 121 62.741 -1.877 3.174 1.00 1.00 N HETATM 1318 C1S RCY A 121 61.246 -3.133 4.651 1.00 1.00 C HETATM 1319 C1U RCY A 121 63.507 -0.698 2.570 1.00 1.00 C HETATM 1320 C1V RCY A 121 65.778 0.366 2.220 1.00 1.00 C HETATM 1321 N1V RCY A 121 65.129 -1.908 1.394 1.00 1.00 N HETATM 1322 C1W RCY A 121 64.075 -1.447 0.390 1.00 1.00 C HETATM 1323 C1X RCY A 121 65.018 -0.921 2.548 1.00 1.00 C HETATM 1324 C1Y RCY A 121 64.734 -0.699 -0.773 1.00 1.00 C HETATM 1325 C1Z RCY A 121 63.303 -2.664 -0.121 1.00 1.00 C HETATM 0 H1ZB RCY A 121 62.892 -3.215 0.725 1.00 1.00 H new HETATM 0 H1ZA RCY A 121 62.491 -2.334 -0.769 1.00 1.00 H new HETATM 0 H1YB RCY A 121 63.963 -0.305 -1.436 1.00 1.00 H new HETATM 0 H1YA RCY A 121 65.333 0.124 -0.383 1.00 1.00 H new HETATM 0 H1VB RCY A 121 65.644 1.084 3.029 1.00 1.00 H new HETATM 0 H1VA RCY A 121 66.839 0.143 2.105 1.00 1.00 H new HETATM 0 H1MA RCY A 121 62.114 -0.737 1.013 1.00 1.00 H new HETATM 0 H1LA RCY A 121 61.450 -4.682 3.110 1.00 1.00 H new HETATM 0 H1CB RCY A 121 65.278 -0.913 4.687 1.00 1.00 H new HETATM 0 H1CA RCY A 121 65.030 -2.529 3.983 1.00 1.00 H new HETATM 0 H1Z RCY A 121 63.975 -3.311 -0.684 1.00 1.00 H new HETATM 0 H1Y RCY A 121 65.376 -1.383 -1.329 1.00 1.00 H new HETATM 0 H1V RCY A 121 65.393 0.789 1.292 1.00 1.00 H new HETATM 0 H1U RCY A 121 63.236 0.149 3.200 1.00 1.00 H new HETATM 0 H1S RCY A 121 61.665 -2.958 5.642 1.00 1.00 H new HETATM 0 H1M RCY A 121 63.318 0.531 0.891 1.00 1.00 H new HETATM 0 H1L RCY A 121 62.406 -4.993 4.545 1.00 1.00 H new HETATM 0 H1C RCY A 121 66.595 -1.705 3.790 1.00 1.00 H new HETATM 1328 C1C RCY A 130 74.006 3.033 2.467 1.00 1.00 C HETATM 1329 O1G RCY A 130 73.224 2.477 5.028 1.00 1.00 O HETATM 1330 O1H RCY A 130 71.570 6.853 5.673 1.00 1.00 O HETATM 1331 O1J RCY A 130 74.419 4.697 -0.009 1.00 1.00 O HETATM 1332 C1L RCY A 130 72.477 3.710 7.005 1.00 1.00 C HETATM 1333 C1M RCY A 130 72.655 6.450 2.910 1.00 1.00 C HETATM 1334 C1P RCY A 130 72.809 3.526 5.519 1.00 1.00 C HETATM 1335 C1Q RCY A 130 72.176 5.793 5.819 1.00 1.00 C HETATM 1336 N1R RCY A 130 72.561 4.806 4.723 1.00 1.00 N HETATM 1337 C1S RCY A 130 72.681 5.224 7.133 1.00 1.00 C HETATM 1338 C1U RCY A 130 72.668 5.048 3.216 1.00 1.00 C HETATM 1339 C1V RCY A 130 75.191 5.055 3.434 1.00 1.00 C HETATM 1340 N1V RCY A 130 73.949 5.230 1.266 1.00 1.00 N HETATM 1341 C1W RCY A 130 73.307 6.591 1.529 1.00 1.00 C HETATM 1342 C1X RCY A 130 73.989 4.554 2.629 1.00 1.00 C HETATM 1343 C1Y RCY A 130 74.372 7.691 1.546 1.00 1.00 C HETATM 1344 C1Z RCY A 130 72.262 6.869 0.448 1.00 1.00 C HETATM 0 H1YA RCY A 130 75.142 7.441 2.276 1.00 1.00 H new HETATM 0 H1VB RCY A 130 75.177 4.606 4.427 1.00 1.00 H new HETATM 0 H1VA RCY A 130 76.113 4.776 2.923 1.00 1.00 H new HETATM 0 H1LA RCY A 130 71.459 3.404 7.246 1.00 1.00 H new HETATM 0 H1CB RCY A 130 73.867 2.562 3.440 1.00 1.00 H new HETATM 0 H1CA RCY A 130 73.200 2.729 1.799 1.00 1.00 H new HETATM 0 H1Y RCY A 130 74.823 7.776 0.557 1.00 1.00 H new HETATM 0 H1V RCY A 130 75.141 6.140 3.526 1.00 1.00 H new HETATM 0 H1U RCY A 130 71.817 4.511 2.796 1.00 1.00 H new HETATM 0 H1S RCY A 130 73.731 5.470 7.294 1.00 1.00 H new HETATM 0 H1L RCY A 130 73.143 3.143 7.655 1.00 1.00 H new HETATM 0 H1C RCY A 130 74.963 2.723 2.047 1.00 1.00 H new HETATM 1347 C1C RCY A 138 80.965 3.226 3.047 1.00 1.00 C HETATM 1348 O1G RCY A 138 83.018 4.834 -1.582 1.00 1.00 O HETATM 1349 O1H RCY A 138 79.782 5.924 1.679 1.00 1.00 O HETATM 1350 O1J RCY A 138 83.258 3.226 4.999 1.00 1.00 O HETATM 1351 C1L RCY A 138 80.849 5.961 -1.686 1.00 1.00 C HETATM 1352 C1M RCY A 138 83.815 5.207 1.763 1.00 1.00 C HETATM 1353 C1P RCY A 138 82.003 5.217 -1.003 1.00 1.00 C HETATM 1354 C1Q RCY A 138 80.322 5.561 0.636 1.00 1.00 C HETATM 1355 N1R RCY A 138 81.734 5.009 0.487 1.00 1.00 N HETATM 1356 C1S RCY A 138 79.699 5.580 -0.748 1.00 1.00 C HETATM 1357 C1U RCY A 138 82.641 4.406 1.561 1.00 1.00 C HETATM 1358 C1V RCY A 138 81.371 5.714 3.318 1.00 1.00 C HETATM 1359 N1V RCY A 138 83.196 4.071 3.810 1.00 1.00 N HETATM 1360 C1W RCY A 138 84.334 4.858 3.164 1.00 1.00 C HETATM 1361 C1X RCY A 138 81.982 4.364 2.939 1.00 1.00 C HETATM 1362 C1Y RCY A 138 84.625 6.132 3.962 1.00 1.00 C HETATM 1363 C1Z RCY A 138 85.577 3.972 3.091 1.00 1.00 C HETATM 0 H1YB RCY A 138 85.380 6.722 3.442 1.00 1.00 H new HETATM 0 H1YA RCY A 138 83.711 6.717 4.060 1.00 1.00 H new HETATM 0 H1VB RCY A 138 80.538 5.937 2.651 1.00 1.00 H new HETATM 0 H1VA RCY A 138 81.011 5.675 4.346 1.00 1.00 H new HETATM 0 H1MA RCY A 138 84.568 4.993 1.004 1.00 1.00 H new HETATM 0 H1LA RCY A 138 81.014 7.038 -1.728 1.00 1.00 H new HETATM 0 H1CB RCY A 138 80.185 3.363 2.298 1.00 1.00 H new HETATM 0 H1Z RCY A 138 85.920 3.743 4.100 1.00 1.00 H new HETATM 0 H1Y RCY A 138 84.992 5.865 4.953 1.00 1.00 H new HETATM 0 H1V RCY A 138 82.127 6.494 3.228 1.00 1.00 H new HETATM 0 H1U RCY A 138 82.864 3.405 1.192 1.00 1.00 H new HETATM 0 H1M RCY A 138 83.580 6.269 1.688 1.00 1.00 H new HETATM 0 H1L RCY A 138 80.682 5.624 -2.709 1.00 1.00 H new HETATM 1366 C1C RCY A 150 83.148 -1.394 3.443 1.00 1.00 C HETATM 1367 O1G RCY A 150 83.778 3.475 3.739 1.00 1.00 O HETATM 1368 O1H RCY A 150 84.186 -0.272 0.893 1.00 1.00 O HETATM 1369 O1J RCY A 150 83.551 -0.316 6.226 1.00 1.00 O HETATM 1370 C1L RCY A 150 85.511 2.741 2.174 1.00 1.00 C HETATM 1371 C1M RCY A 150 81.422 1.850 3.884 1.00 1.00 C HETATM 1372 C1P RCY A 150 84.189 2.629 2.946 1.00 1.00 C HETATM 1373 C1Q RCY A 150 84.438 0.633 1.688 1.00 1.00 C HETATM 1374 N1R RCY A 150 83.447 1.338 2.606 1.00 1.00 N HETATM 1375 C1S RCY A 150 85.800 1.255 1.935 1.00 1.00 C HETATM 1376 C1U RCY A 150 82.066 0.864 3.064 1.00 1.00 C HETATM 1377 C1V RCY A 150 80.749 -0.999 4.162 1.00 1.00 C HETATM 1378 N1V RCY A 150 82.622 0.254 5.255 1.00 1.00 N HETATM 1379 C1W RCY A 150 81.927 1.613 5.313 1.00 1.00 C HETATM 1380 C1X RCY A 150 82.130 -0.374 3.958 1.00 1.00 C HETATM 1381 C1Y RCY A 150 80.755 1.573 6.298 1.00 1.00 C HETATM 1382 C1Z RCY A 150 82.943 2.677 5.727 1.00 1.00 C HETATM 0 H1YB RCY A 150 80.220 2.522 6.265 1.00 1.00 H new HETATM 0 H1YA RCY A 150 80.077 0.764 6.024 1.00 1.00 H new HETATM 0 H1VB RCY A 150 80.385 -1.395 3.214 1.00 1.00 H new HETATM 0 H1VA RCY A 150 80.819 -1.808 4.890 1.00 1.00 H new HETATM 0 H1CB RCY A 150 82.869 -1.711 2.438 1.00 1.00 H new HETATM 0 H1CA RCY A 150 84.138 -0.939 3.417 1.00 1.00 H new HETATM 0 H1Z RCY A 150 83.281 2.481 6.744 1.00 1.00 H new HETATM 0 H1Y RCY A 150 81.133 1.404 7.306 1.00 1.00 H new HETATM 0 H1V RCY A 150 80.057 -0.241 4.528 1.00 1.00 H new HETATM 0 H1U RCY A 150 81.530 0.662 2.137 1.00 1.00 H new HETATM 0 H1S RCY A 150 86.291 0.803 2.797 1.00 1.00 H new HETATM 0 H1C RCY A 150 83.163 -2.259 4.106 1.00 1.00 H new HETATM 1385 C1C RCY A 160 75.702 3.145 0.145 1.00 1.00 C HETATM 1386 O1G RCY A 160 76.306 2.076 -2.287 1.00 1.00 O HETATM 1387 O1H RCY A 160 80.926 2.242 -1.324 1.00 1.00 O HETATM 1388 O1J RCY A 160 75.911 5.624 1.842 1.00 1.00 O HETATM 1389 C1L RCY A 160 78.274 1.071 -3.339 1.00 1.00 C HETATM 1390 C1M RCY A 160 79.080 4.638 -0.078 1.00 1.00 C HETATM 1391 C1P RCY A 160 77.529 1.946 -2.323 1.00 1.00 C HETATM 1392 C1Q RCY A 160 79.851 2.224 -1.920 1.00 1.00 C HETATM 1393 N1R RCY A 160 78.494 2.636 -1.361 1.00 1.00 N HETATM 1394 C1S RCY A 160 79.630 1.785 -3.356 1.00 1.00 C HETATM 1395 C1U RCY A 160 78.190 3.515 -0.146 1.00 1.00 C HETATM 1396 C1V RCY A 160 76.544 4.827 -1.555 1.00 1.00 C HETATM 1397 N1V RCY A 160 76.932 5.195 0.892 1.00 1.00 N HETATM 1398 C1W RCY A 160 78.371 5.694 0.779 1.00 1.00 C HETATM 1399 C1X RCY A 160 76.801 4.150 -0.207 1.00 1.00 C HETATM 1400 C1Y RCY A 160 78.411 7.061 0.090 1.00 1.00 C HETATM 1401 C1Z RCY A 160 78.984 5.778 2.177 1.00 1.00 C HETATM 0 H1ZB RCY A 160 78.893 4.812 2.673 1.00 1.00 H new HETATM 0 H1YB RCY A 160 79.448 7.364 -0.058 1.00 1.00 H new HETATM 0 H1YA RCY A 160 77.911 6.996 -0.876 1.00 1.00 H new HETATM 0 H1VB RCY A 160 76.508 4.072 -2.340 1.00 1.00 H new HETATM 0 H1VA RCY A 160 75.594 5.359 -1.519 1.00 1.00 H new HETATM 0 H1LA RCY A 160 78.353 0.033 -3.017 1.00 1.00 H new HETATM 0 H1CB RCY A 160 75.730 2.314 -0.560 1.00 1.00 H new HETATM 0 H1CA RCY A 160 75.863 2.769 1.156 1.00 1.00 H new HETATM 0 H1Z RCY A 160 78.459 6.535 2.759 1.00 1.00 H new HETATM 0 H1Y RCY A 160 77.903 7.797 0.713 1.00 1.00 H new HETATM 0 H1V RCY A 160 77.347 5.533 -1.767 1.00 1.00 H new HETATM 0 H1U RCY A 160 78.287 2.840 0.705 1.00 1.00 H new HETATM 0 H1S RCY A 160 79.620 2.638 -4.034 1.00 1.00 H new HETATM 0 H1L RCY A 160 77.793 1.066 -4.317 1.00 1.00 H new HETATM 0 H1C RCY A 160 74.730 3.635 0.090 1.00 1.00 H new HETATM 1404 C1C RCY A 168 78.029 -0.104 -0.601 1.00 1.00 C HETATM 1405 O1G RCY A 168 80.051 -2.958 -0.417 1.00 1.00 O HETATM 1406 O1H RCY A 168 76.369 -2.962 -3.373 1.00 1.00 O HETATM 1407 O1J RCY A 168 75.688 0.335 -2.444 1.00 1.00 O HETATM 1408 C1L RCY A 168 79.808 -3.509 -2.788 1.00 1.00 C HETATM 1409 C1M RCY A 168 75.587 -2.873 -0.344 1.00 1.00 C HETATM 1410 C1P RCY A 168 79.319 -3.091 -1.396 1.00 1.00 C HETATM 1411 C1Q RCY A 168 77.405 -3.271 -2.787 1.00 1.00 C HETATM 1412 N1R RCY A 168 77.808 -2.861 -1.376 1.00 1.00 N HETATM 1413 C1S RCY A 168 78.523 -4.136 -3.340 1.00 1.00 C HETATM 1414 C1U RCY A 168 76.920 -2.351 -0.239 1.00 1.00 C HETATM 1415 C1V RCY A 168 76.091 -0.317 1.019 1.00 1.00 C HETATM 1416 N1V RCY A 168 75.745 -0.714 -1.429 1.00 1.00 N HETATM 1417 C1W RCY A 168 74.834 -1.932 -1.293 1.00 1.00 C HETATM 1418 C1X RCY A 168 76.727 -0.836 -0.272 1.00 1.00 C HETATM 1419 C1Y RCY A 168 73.485 -1.527 -0.691 1.00 1.00 C HETATM 1420 C1Z RCY A 168 74.641 -2.569 -2.669 1.00 1.00 C HETATM 0 H1ZB RCY A 168 75.614 -2.795 -3.105 1.00 1.00 H new HETATM 0 H1ZA RCY A 168 74.067 -3.490 -2.566 1.00 1.00 H new HETATM 0 H1YB RCY A 168 72.880 -2.418 -0.523 1.00 1.00 H new HETATM 0 H1YA RCY A 168 73.649 -1.015 0.257 1.00 1.00 H new HETATM 0 H1VB RCY A 168 76.783 -0.462 1.849 1.00 1.00 H new HETATM 0 H1VA RCY A 168 75.868 0.745 0.913 1.00 1.00 H new HETATM 0 H1MA RCY A 168 75.597 -3.891 -0.732 1.00 1.00 H new HETATM 0 H1LA RCY A 168 80.148 -2.661 -3.383 1.00 1.00 H new HETATM 0 H1CB RCY A 168 78.778 -0.337 0.156 1.00 1.00 H new HETATM 0 H1CA RCY A 168 78.389 -0.424 -1.579 1.00 1.00 H new HETATM 0 H1Z RCY A 168 74.104 -1.877 -3.318 1.00 1.00 H new HETATM 0 H1Y RCY A 168 72.965 -0.860 -1.378 1.00 1.00 H new HETATM 0 H1V RCY A 168 75.169 -0.864 1.216 1.00 1.00 H new HETATM 0 H1U RCY A 168 77.434 -2.670 0.668 1.00 1.00 H new HETATM 0 H1S RCY A 168 78.418 -5.172 -3.019 1.00 1.00 H new HETATM 0 H1M RCY A 168 75.105 -2.909 0.633 1.00 1.00 H new HETATM 0 H1L RCY A 168 80.634 -4.219 -2.744 1.00 1.00 H new HETATM 0 H1C RCY A 168 77.849 0.971 -0.615 1.00 1.00 H new HETATM 1423 C1C RCY A 173 76.674 -10.083 -1.465 1.00 1.00 C HETATM 1424 O1G RCY A 173 77.093 -10.987 3.456 1.00 1.00 O HETATM 1425 O1H RCY A 173 80.108 -9.966 -0.032 1.00 1.00 O HETATM 1426 O1J RCY A 173 75.528 -7.343 -1.959 1.00 1.00 O HETATM 1427 C1L RCY A 173 79.350 -11.760 2.914 1.00 1.00 C HETATM 1428 C1M RCY A 173 77.287 -7.839 1.413 1.00 1.00 C HETATM 1429 C1P RCY A 173 78.057 -10.965 2.693 1.00 1.00 C HETATM 1430 C1Q RCY A 173 79.452 -10.572 0.814 1.00 1.00 C HETATM 1431 N1R RCY A 173 78.115 -10.143 1.406 1.00 1.00 N HETATM 1432 C1S RCY A 173 79.828 -11.891 1.463 1.00 1.00 C HETATM 1433 C1U RCY A 173 77.100 -9.144 0.848 1.00 1.00 C HETATM 1434 C1V RCY A 173 78.704 -8.625 -1.041 1.00 1.00 C HETATM 1435 N1V RCY A 173 76.396 -7.675 -0.833 1.00 1.00 N HETATM 1436 C1W RCY A 173 76.647 -6.852 0.428 1.00 1.00 C HETATM 1437 C1X RCY A 173 77.253 -8.921 -0.656 1.00 1.00 C HETATM 1438 C1Y RCY A 173 77.603 -5.693 0.130 1.00 1.00 C HETATM 1439 C1Z RCY A 173 75.312 -6.327 0.957 1.00 1.00 C HETATM 0 H1YB RCY A 173 77.837 -5.167 1.056 1.00 1.00 H new HETATM 0 H1YA RCY A 173 78.522 -6.083 -0.308 1.00 1.00 H new HETATM 0 H1LA RCY A 173 80.065 -11.229 3.543 1.00 1.00 H new HETATM 0 H1CB RCY A 173 77.194 -11.004 -1.202 1.00 1.00 H new HETATM 0 H1CA RCY A 173 75.612 -10.189 -1.242 1.00 1.00 H new HETATM 0 H1V RCY A 173 79.077 -7.793 -0.443 1.00 1.00 H new HETATM 0 H1S RCY A 173 79.347 -12.731 0.962 1.00 1.00 H new HETATM 0 H1L RCY A 173 79.170 -12.727 3.383 1.00 1.00 H new HETATM 1442 C1C RCY A 176 76.897 -9.145 2.622 1.00 1.00 C HETATM 1443 O1G RCY A 176 80.819 -6.866 0.156 1.00 1.00 O HETATM 1444 O1H RCY A 176 79.416 -8.261 4.444 1.00 1.00 O HETATM 1445 O1J RCY A 176 74.707 -8.242 0.763 1.00 1.00 O HETATM 1446 C1L RCY A 176 82.015 -7.703 2.119 1.00 1.00 C HETATM 1447 C1M RCY A 176 77.991 -6.272 0.562 1.00 1.00 C HETATM 1448 C1P RCY A 176 80.784 -7.249 1.324 1.00 1.00 C HETATM 1449 C1Q RCY A 176 80.053 -7.746 3.526 1.00 1.00 C HETATM 1450 N1R RCY A 176 79.510 -7.333 2.163 1.00 1.00 N HETATM 1451 C1S RCY A 176 81.531 -7.405 3.543 1.00 1.00 C HETATM 1452 C1U RCY A 176 78.060 -7.071 1.752 1.00 1.00 C HETATM 1453 C1V RCY A 176 78.099 -9.206 0.390 1.00 1.00 C HETATM 1454 N1V RCY A 176 76.082 -7.755 0.704 1.00 1.00 N HETATM 1455 C1W RCY A 176 76.610 -6.537 -0.050 1.00 1.00 C HETATM 1456 C1X RCY A 176 77.309 -8.349 1.382 1.00 1.00 C HETATM 1457 C1Y RCY A 176 76.734 -6.845 -1.545 1.00 1.00 C HETATM 1458 C1Z RCY A 176 75.665 -5.357 0.180 1.00 1.00 C HETATM 0 H1ZA RCY A 176 76.082 -4.462 -0.281 1.00 1.00 H new HETATM 0 H1YB RCY A 176 77.189 -5.996 -2.055 1.00 1.00 H new HETATM 0 H1LA RCY A 176 82.244 -8.758 1.968 1.00 1.00 H new HETATM 0 H1CB RCY A 176 77.786 -9.423 3.188 1.00 1.00 H new HETATM 0 H1CA RCY A 176 76.245 -8.534 3.247 1.00 1.00 H new HETATM 0 H1S RCY A 176 81.693 -6.360 3.806 1.00 1.00 H new HETATM 0 H1M RCY A 176 78.784 -6.542 -0.135 1.00 1.00 H new HETATM 0 H1L RCY A 176 82.912 -7.142 1.857 1.00 1.00 H new HETATM 0 H1C RCY A 176 76.366 -10.046 2.316 1.00 1.00 H new HETATM 1461 C1C RCY A 187 75.710 -4.385 2.231 1.00 1.00 C HETATM 1462 O1G RCY A 187 79.577 -4.918 5.984 1.00 1.00 O HETATM 1463 O1H RCY A 187 75.082 -5.631 4.724 1.00 1.00 O HETATM 1464 O1J RCY A 187 77.273 -2.657 0.323 1.00 1.00 O HETATM 1465 C1L RCY A 187 77.822 -6.410 6.810 1.00 1.00 C HETATM 1466 C1M RCY A 187 78.900 -3.271 3.740 1.00 1.00 C HETATM 1467 C1P RCY A 187 78.411 -5.304 5.925 1.00 1.00 C HETATM 1468 C1Q RCY A 187 76.106 -5.480 5.388 1.00 1.00 C HETATM 1469 N1R RCY A 187 77.368 -4.742 4.960 1.00 1.00 N HETATM 1470 C1S RCY A 187 76.345 -6.000 6.794 1.00 1.00 C HETATM 1471 C1U RCY A 187 77.536 -3.705 3.847 1.00 1.00 C HETATM 1472 C1V RCY A 187 77.941 -5.588 2.204 1.00 1.00 C HETATM 1473 N1V RCY A 187 77.800 -3.165 1.585 1.00 1.00 N HETATM 1474 C1W RCY A 187 79.060 -2.712 2.321 1.00 1.00 C HETATM 1475 C1X RCY A 187 77.218 -4.265 2.462 1.00 1.00 C HETATM 1476 C1Y RCY A 187 80.309 -3.293 1.651 1.00 1.00 C HETATM 1477 C1Z RCY A 187 79.113 -1.185 2.328 1.00 1.00 C HETATM 0 H1ZB RCY A 187 78.190 -0.791 2.753 1.00 1.00 H new HETATM 0 H1ZA RCY A 187 79.960 -0.853 2.928 1.00 1.00 H new HETATM 0 H1YB RCY A 187 81.191 -3.030 2.235 1.00 1.00 H new HETATM 0 H1YA RCY A 187 80.221 -4.378 1.595 1.00 1.00 H new HETATM 0 H1MA RCY A 187 79.126 -2.509 4.486 1.00 1.00 H new HETATM 0 H1LA RCY A 187 77.983 -7.406 6.397 1.00 1.00 H new HETATM 0 H1CB RCY A 187 75.280 -5.053 2.977 1.00 1.00 H new HETATM 0 H1CA RCY A 187 75.249 -3.401 2.316 1.00 1.00 H new HETATM 0 H1Z RCY A 187 79.227 -0.820 1.307 1.00 1.00 H new HETATM 0 H1Y RCY A 187 80.406 -2.885 0.645 1.00 1.00 H new HETATM 0 H1V RCY A 187 79.009 -5.459 2.379 1.00 1.00 H new HETATM 0 H1U RCY A 187 76.852 -2.902 4.122 1.00 1.00 H new HETATM 0 H1S RCY A 187 76.139 -5.233 7.541 1.00 1.00 H new HETATM 0 H1M RCY A 187 79.587 -4.100 3.912 1.00 1.00 H new HETATM 0 H1L RCY A 187 78.244 -6.410 7.815 1.00 1.00 H new HETATM 0 H1C RCY A 187 75.525 -4.787 1.235 1.00 1.00 H new