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 29 LYS H : A 29 LYS N : A 130 RCY C1P :(H bumps) USER MOD NoAdj-H: A 29 LYS HZ3 : A 29 LYS NZ : A 130 RCY O1J :(NH2R) USER MOD NoAdj-H: A 30 CYS H : A 30 CYS N : A 130 RCY C1L :(H bumps) USER MOD NoAdj-H: A 65 THR H : A 65 THR N : A 150 RCY C1Z :(H bumps) USER MOD NoAdj-H: A 67 ILE H : A 67 ILE N : A 138 RCY C1Z :(H bumps) USER MOD NoAdj-H: A 110 RCYH1SA : A 110 RCY C1S : A 10 CYS SG :(H bumps) USER MOD NoAdj-H: A 121 RCYH1SA : A 121 RCY C1S : A 21 CYS SG :(H bumps) USER MOD NoAdj-H: A 130 RCYH1SA : A 130 RCY C1S : A 30 CYS SG :(H bumps) USER MOD NoAdj-H: A 130 RCYH1MA : A 130 RCY C1M : A 29 LYS CG :(H bumps) USER MOD NoAdj-H: A 130 RCYH1LA : A 130 RCY C1L : A 30 CYS N :(H bumps) USER MOD NoAdj-H: A 130 RCY H1U : A 130 RCY C1U : A 29 LYS CG :(H bumps) USER MOD NoAdj-H: A 138 RCYH1ZB : A 138 RCY C1Z : A 67 ILE N :(H bumps) USER MOD NoAdj-H: A 138 RCYH1ZA : A 138 RCY C1Z : A 150 RCY N1V :(H bumps) USER MOD NoAdj-H: A 138 RCYH1YB : A 138 RCY C1Y : A 66 VAL N :(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 RCYH1MA : A 138 RCY C1M : A 150 RCY C1C :(H bumps) USER MOD NoAdj-H: A 138 RCYH1CB : A 138 RCY C1C : A 67 ILE CG1 :(H bumps) USER MOD NoAdj-H: A 138 RCYH1CA : A 138 RCY C1C : A 67 ILE CG1 :(H bumps) USER MOD NoAdj-H: A 138 RCY H1Y : A 138 RCY C1Y : A 66 VAL CA :(H bumps) USER MOD NoAdj-H: A 138 RCY H1U : A 138 RCY C1U : A 67 ILE CG1 :(H bumps) USER MOD NoAdj-H: A 138 RCY H1M : A 138 RCY C1M : A 150 RCY C1C :(H bumps) USER MOD NoAdj-H: A 150 RCYH1ZA : A 150 RCY C1Z : A 64 ILE CA :(H bumps) USER MOD NoAdj-H: A 150 RCYH1YB : A 150 RCY C1Y : A 64 ILE O :(H bumps) USER MOD NoAdj-H: A 150 RCYH1VB : A 150 RCY C1V : A 65 THR C :(H bumps) USER MOD NoAdj-H: A 150 RCYH1VA : A 150 RCY C1V : A 66 VAL CA :(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 65 THR CA :(H bumps) USER MOD NoAdj-H: A 150 RCYH1CB : A 150 RCY C1C : A 138 RCY C1M :(H bumps) USER MOD NoAdj-H: A 150 RCY H1Z : A 150 RCY C1Z : A 64 ILE CA :(H bumps) USER MOD NoAdj-H: A 150 RCY H1Y : A 150 RCY C1Y : A 64 ILE CA :(H bumps) USER MOD NoAdj-H: A 150 RCY H1V : A 150 RCY C1V : A 66 VAL CA :(H bumps) USER MOD NoAdj-H: A 150 RCY H1U : A 150 RCY C1U : A 65 THR CB :(H bumps) USER MOD NoAdj-H: A 150 RCY H1M : A 150 RCY C1M : A 65 THR CA :(H bumps) USER MOD NoAdj-H: A 150 RCY H1C : A 150 RCY C1C : A 138 RCY C1M :(H bumps) USER MOD NoAdj-H: A 160 RCYH1SA : A 160 RCY C1S : A 60 CYS SG :(H bumps) USER MOD NoAdj-H: A 160 RCYH1CB : A 160 RCY C1C : A 59 GLY CA :(H bumps) USER MOD NoAdj-H: A 160 RCYH1CA : A 160 RCY C1C : A 59 GLY CA :(H bumps) USER MOD NoAdj-H: A 168 RCYH1SA : A 168 RCY C1S : A 68 CYS SG :(H bumps) USER MOD NoAdj-H: A 168 RCYH1CA : A 168 RCY C1C : A 187 RCY O1J :(H bumps) USER MOD NoAdj-H: A 168 RCY H1C : A 168 RCY C1C : A 187 RCY O1J :(H bumps) USER MOD NoAdj-H: A 173 RCYH1YA : A 173 RCY C1Y : A 176 RCY C1X :(H bumps) USER MOD NoAdj-H: A 173 RCYH1VB : A 173 RCY C1V : A 176 RCY N1R :(H bumps) USER MOD NoAdj-H: A 173 RCYH1VA : A 173 RCY C1V : A 176 RCY C1Q :(H bumps) USER MOD NoAdj-H: A 173 RCYH1SA : A 173 RCY C1S : A 173 RCY N1R :(H bumps) USER MOD NoAdj-H: A 173 RCYH1LA : A 173 RCY C1L : A 176 RCY C1P :(H bumps) USER MOD NoAdj-H: A 173 RCY H1S : A 173 RCY C1S : A 173 RCY O1G :(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 H1L : A 173 RCY C1L : A 176 RCY C1P :(H bumps) USER MOD NoAdj-H: A 176 RCYH1ZA : A 176 RCY C1Z : A 173 RCY O1J :(H bumps) USER MOD NoAdj-H: A 176 RCYH1SA : A 176 RCY C1S : A 76 CYS SG :(H bumps) USER MOD NoAdj-H: A 176 RCYH1CB : A 176 RCY C1C : A 73 CYS O :(H bumps) USER MOD NoAdj-H: A 176 RCYH1CA : A 176 RCY C1C : A 73 CYS O :(H bumps) USER MOD NoAdj-H: A 176 RCY H1V : A 176 RCY C1V : A 173 RCY C1W :(H bumps) USER MOD NoAdj-H: A 176 RCY H1U : A 176 RCY C1U : A 173 RCY C1M :(H bumps) USER MOD NoAdj-H: A 176 RCY H1M : A 176 RCY C1M : A 173 RCY C1W :(H bumps) USER MOD NoAdj-H: A 176 RCY H1C : A 176 RCY C1C : A 73 CYS O :(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 74 ASN : amide:sc= -1.01! C(o=-1.2!,f=-5.2!) USER MOD Set 1.2: A 75 HIS : no HD1:sc= -0.177 X(o=-1.2,f=-0.85) USER MOD Set 2.1: A 25 LYS NZ :NH3+ -152:sc= -3.14! (180deg=-6.13!) USER MOD Set 2.2: A 29 LYS NZ :NH3+ 164:sc= -0.254 (180deg=-0.54) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -161:sc= -0.0184 (180deg=-0.365) USER MOD Single : A 2 ASN :FLIP amide:sc= -1.13! C(o=-4.3!,f=-1.1!) USER MOD Single : A 7 LYS NZ :NH3+ 149:sc= -0.602 (180deg=-1.33) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.0602 USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 14:sc= 0.144! USER MOD Single : A 31 LYS NZ :NH3+ 162:sc= -0.124 (180deg=-0.932) USER MOD Single : A 32 GLN :FLIP amide:sc= 0 F(o=-0.62,f=0) USER MOD Single : A 34 GLN : amide:sc= -0.0823 K(o=-0.082,f=-1.5!) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -4.81! C(o=-4.8!,f=-14!) USER MOD Single : A 39 LYS NZ :NH3+ 162:sc= -0.0906 (180deg=-0.896) USER MOD Single : A 40 SER OG : rot 180:sc= -1.86 USER MOD Single : A 41 LYS NZ :NH3+ 154:sc= -1.61 (180deg=-2.29) USER MOD Single : A 44 LYS NZ :NH3+ -149:sc= -0.332 (180deg=-1.43!) USER MOD Single : A 45 LYS NZ :NH3+ 159:sc= -0.0158 (180deg=-0.185) USER MOD Single : A 48 GLN : amide:sc= -4.54! C(o=-4.5!,f=-13!) USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot -66:sc= -24.3! USER MOD Single : A 79 HIS : no HD1:sc= -0.0134 X(o=-0.013,f=0) USER MOD Single : A 83 GLN : amide:sc= -0.189 X(o=-0.19,f=-0.19) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 48.698 -2.214 -4.958 1.00 1.00 N ATOM 2 CA MET A 1 49.802 -1.958 -5.925 1.00 1.00 C ATOM 3 C MET A 1 50.024 -3.202 -6.787 1.00 1.00 C ATOM 4 O MET A 1 51.000 -3.909 -6.634 1.00 1.00 O ATOM 5 CB MET A 1 51.086 -1.632 -5.160 1.00 1.00 C ATOM 6 CG MET A 1 50.830 -0.463 -4.207 1.00 1.00 C ATOM 7 SD MET A 1 52.409 0.166 -3.586 1.00 1.00 S ATOM 8 CE MET A 1 51.803 0.759 -1.987 1.00 1.00 C ATOM 0 H1 MET A 1 48.330 -1.308 -4.604 1.00 1.00 H new ATOM 0 H2 MET A 1 47.935 -2.736 -5.433 1.00 1.00 H new ATOM 0 H3 MET A 1 49.058 -2.776 -4.161 1.00 1.00 H new ATOM 0 HA MET A 1 49.536 -1.116 -6.564 1.00 1.00 H new ATOM 0 HB2 MET A 1 51.420 -2.505 -4.600 1.00 1.00 H new ATOM 0 HB3 MET A 1 51.883 -1.378 -5.858 1.00 1.00 H new ATOM 0 HG2 MET A 1 50.289 0.329 -4.724 1.00 1.00 H new ATOM 0 HG3 MET A 1 50.204 -0.788 -3.376 1.00 1.00 H new ATOM 0 HE1 MET A 1 52.628 1.196 -1.424 1.00 1.00 H new ATOM 0 HE2 MET A 1 51.033 1.514 -2.147 1.00 1.00 H new ATOM 0 HE3 MET A 1 51.382 -0.075 -1.425 1.00 1.00 H new ATOM 17 N ASN A 2 49.126 -3.476 -7.692 1.00 1.00 N ATOM 18 CA ASN A 2 49.286 -4.675 -8.561 1.00 1.00 C ATOM 19 C ASN A 2 49.396 -5.926 -7.687 1.00 1.00 C ATOM 20 O ASN A 2 49.119 -5.896 -6.504 1.00 1.00 O ATOM 21 CB ASN A 2 50.554 -4.529 -9.407 1.00 1.00 C ATOM 22 CG ASN A 2 50.642 -3.103 -9.953 1.00 1.00 C ATOM 23 OD1 ASN A 2 49.611 -2.310 -9.844 1.00 1.00 O flip ATOM 24 ND2 ASN A 2 51.660 -2.705 -10.484 1.00 1.00 N flip ATOM 0 H ASN A 2 48.288 -2.921 -7.867 1.00 1.00 H new ATOM 0 HA ASN A 2 48.421 -4.765 -9.218 1.00 1.00 H new ATOM 0 HB2 ASN A 2 51.434 -4.754 -8.804 1.00 1.00 H new ATOM 0 HB3 ASN A 2 50.540 -5.244 -10.229 1.00 1.00 H new ATOM 0 HD21 ASN A 2 52.466 -3.324 -10.570 1.00 1.00 H new ATOM 0 HD22 ASN A 2 51.708 -1.752 -10.844 1.00 1.00 H new ATOM 31 N LEU A 3 49.796 -7.026 -8.261 1.00 1.00 N ATOM 32 CA LEU A 3 49.921 -8.280 -7.467 1.00 1.00 C ATOM 33 C LEU A 3 51.056 -8.135 -6.449 1.00 1.00 C ATOM 34 O LEU A 3 52.072 -8.795 -6.541 1.00 1.00 O ATOM 35 CB LEU A 3 50.217 -9.451 -8.410 1.00 1.00 C ATOM 36 CG LEU A 3 49.384 -9.309 -9.685 1.00 1.00 C ATOM 37 CD1 LEU A 3 50.252 -8.724 -10.801 1.00 1.00 C ATOM 38 CD2 LEU A 3 48.866 -10.684 -10.110 1.00 1.00 C ATOM 0 H LEU A 3 50.042 -7.111 -9.247 1.00 1.00 H new ATOM 0 HA LEU A 3 48.988 -8.469 -6.936 1.00 1.00 H new ATOM 0 HB2 LEU A 3 51.278 -9.472 -8.658 1.00 1.00 H new ATOM 0 HB3 LEU A 3 49.986 -10.395 -7.917 1.00 1.00 H new ATOM 0 HG LEU A 3 48.541 -8.645 -9.496 1.00 1.00 H new ATOM 0 HD11 LEU A 3 49.658 -8.623 -11.709 1.00 1.00 H new ATOM 0 HD12 LEU A 3 50.622 -7.744 -10.499 1.00 1.00 H new ATOM 0 HD13 LEU A 3 51.096 -9.387 -10.991 1.00 1.00 H new ATOM 0 HD21 LEU A 3 48.272 -10.584 -11.019 1.00 1.00 H new ATOM 0 HD22 LEU A 3 49.709 -11.348 -10.299 1.00 1.00 H new ATOM 0 HD23 LEU A 3 48.247 -11.101 -9.316 1.00 1.00 H new ATOM 50 N GLU A 4 50.885 -7.278 -5.475 1.00 1.00 N ATOM 51 CA GLU A 4 51.945 -7.084 -4.441 1.00 1.00 C ATOM 52 C GLU A 4 51.311 -7.192 -3.045 1.00 1.00 C ATOM 53 O GLU A 4 50.425 -6.432 -2.711 1.00 1.00 O ATOM 54 CB GLU A 4 52.565 -5.694 -4.606 1.00 1.00 C ATOM 55 CG GLU A 4 53.446 -5.671 -5.857 1.00 1.00 C ATOM 56 CD GLU A 4 54.702 -6.509 -5.612 1.00 1.00 C ATOM 57 OE1 GLU A 4 55.333 -6.309 -4.587 1.00 1.00 O ATOM 58 OE2 GLU A 4 55.013 -7.335 -6.454 1.00 1.00 O ATOM 0 H GLU A 4 50.053 -6.702 -5.351 1.00 1.00 H new ATOM 0 HA GLU A 4 52.716 -7.845 -4.557 1.00 1.00 H new ATOM 0 HB2 GLU A 4 51.780 -4.942 -4.687 1.00 1.00 H new ATOM 0 HB3 GLU A 4 53.158 -5.442 -3.727 1.00 1.00 H new ATOM 0 HG2 GLU A 4 52.894 -6.065 -6.711 1.00 1.00 H new ATOM 0 HG3 GLU A 4 53.722 -4.645 -6.101 1.00 1.00 H new ATOM 65 N PRO A 5 51.752 -8.125 -2.232 1.00 1.00 N ATOM 66 CA PRO A 5 51.198 -8.310 -0.861 1.00 1.00 C ATOM 67 C PRO A 5 50.990 -6.973 -0.132 1.00 1.00 C ATOM 68 O PRO A 5 51.815 -6.085 -0.218 1.00 1.00 O ATOM 69 CB PRO A 5 52.269 -9.144 -0.156 1.00 1.00 C ATOM 70 CG PRO A 5 52.916 -9.937 -1.244 1.00 1.00 C ATOM 71 CD PRO A 5 52.817 -9.098 -2.524 1.00 1.00 C ATOM 0 HA PRO A 5 50.215 -8.781 -0.877 1.00 1.00 H new ATOM 0 HB2 PRO A 5 52.993 -8.508 0.354 1.00 1.00 H new ATOM 0 HB3 PRO A 5 51.829 -9.795 0.599 1.00 1.00 H new ATOM 0 HG2 PRO A 5 53.957 -10.149 -1.001 1.00 1.00 H new ATOM 0 HG3 PRO A 5 52.416 -10.897 -1.372 1.00 1.00 H new ATOM 0 HD2 PRO A 5 53.761 -8.601 -2.749 1.00 1.00 H new ATOM 0 HD3 PRO A 5 52.568 -9.715 -3.387 1.00 1.00 H new ATOM 79 N PRO A 6 49.901 -6.827 0.585 1.00 1.00 N ATOM 80 CA PRO A 6 49.601 -5.574 1.339 1.00 1.00 C ATOM 81 C PRO A 6 50.462 -5.443 2.601 1.00 1.00 C ATOM 82 O PRO A 6 50.990 -6.414 3.105 1.00 1.00 O ATOM 83 CB PRO A 6 48.123 -5.720 1.708 1.00 1.00 C ATOM 84 CG PRO A 6 47.885 -7.193 1.767 1.00 1.00 C ATOM 85 CD PRO A 6 48.841 -7.834 0.758 1.00 1.00 C ATOM 0 HA PRO A 6 49.815 -4.681 0.751 1.00 1.00 H new ATOM 0 HB2 PRO A 6 47.906 -5.246 2.665 1.00 1.00 H new ATOM 0 HB3 PRO A 6 47.482 -5.246 0.965 1.00 1.00 H new ATOM 0 HG2 PRO A 6 48.069 -7.575 2.771 1.00 1.00 H new ATOM 0 HG3 PRO A 6 46.849 -7.428 1.522 1.00 1.00 H new ATOM 0 HD2 PRO A 6 49.242 -8.776 1.131 1.00 1.00 H new ATOM 0 HD3 PRO A 6 48.339 -8.052 -0.185 1.00 1.00 H new ATOM 93 N LYS A 7 50.606 -4.252 3.114 1.00 1.00 N ATOM 94 CA LYS A 7 51.432 -4.067 4.341 1.00 1.00 C ATOM 95 C LYS A 7 50.815 -4.865 5.494 1.00 1.00 C ATOM 96 O LYS A 7 50.034 -4.349 6.269 1.00 1.00 O ATOM 97 CB LYS A 7 51.476 -2.581 4.710 1.00 1.00 C ATOM 98 CG LYS A 7 50.100 -1.954 4.475 1.00 1.00 C ATOM 99 CD LYS A 7 49.999 -0.639 5.251 1.00 1.00 C ATOM 100 CE LYS A 7 51.142 0.289 4.836 1.00 1.00 C ATOM 101 NZ LYS A 7 51.269 0.286 3.351 1.00 1.00 N ATOM 0 H LYS A 7 50.189 -3.401 2.738 1.00 1.00 H new ATOM 0 HA LYS A 7 52.446 -4.422 4.155 1.00 1.00 H new ATOM 0 HB2 LYS A 7 51.767 -2.463 5.754 1.00 1.00 H new ATOM 0 HB3 LYS A 7 52.228 -2.069 4.110 1.00 1.00 H new ATOM 0 HG2 LYS A 7 49.948 -1.773 3.411 1.00 1.00 H new ATOM 0 HG3 LYS A 7 49.316 -2.640 4.797 1.00 1.00 H new ATOM 0 HD2 LYS A 7 49.039 -0.161 5.054 1.00 1.00 H new ATOM 0 HD3 LYS A 7 50.045 -0.833 6.323 1.00 1.00 H new ATOM 0 HE2 LYS A 7 50.951 1.301 5.193 1.00 1.00 H new ATOM 0 HE3 LYS A 7 52.076 -0.040 5.292 1.00 1.00 H new ATOM 0 HZ1 LYS A 7 51.615 1.213 3.030 1.00 1.00 H new ATOM 0 HZ2 LYS A 7 51.940 -0.454 3.061 1.00 1.00 H new ATOM 0 HZ3 LYS A 7 50.340 0.097 2.924 1.00 1.00 H new ATOM 115 N ALA A 8 51.162 -6.120 5.612 1.00 1.00 N ATOM 116 CA ALA A 8 50.602 -6.961 6.712 1.00 1.00 C ATOM 117 C ALA A 8 51.745 -7.663 7.449 1.00 1.00 C ATOM 118 O ALA A 8 51.795 -7.681 8.663 1.00 1.00 O ATOM 119 CB ALA A 8 49.659 -8.011 6.120 1.00 1.00 C ATOM 0 H ALA A 8 51.812 -6.601 4.991 1.00 1.00 H new ATOM 0 HA ALA A 8 50.053 -6.329 7.409 1.00 1.00 H new ATOM 0 HB1 ALA A 8 49.250 -8.626 6.922 1.00 1.00 H new ATOM 0 HB2 ALA A 8 48.845 -7.513 5.593 1.00 1.00 H new ATOM 0 HB3 ALA A 8 50.210 -8.643 5.423 1.00 1.00 H new ATOM 125 N GLU A 9 52.666 -8.240 6.725 1.00 1.00 N ATOM 126 CA GLU A 9 53.805 -8.938 7.386 1.00 1.00 C ATOM 127 C GLU A 9 54.629 -7.921 8.179 1.00 1.00 C ATOM 128 O GLU A 9 55.492 -8.276 8.957 1.00 1.00 O ATOM 129 CB GLU A 9 54.686 -9.597 6.323 1.00 1.00 C ATOM 130 CG GLU A 9 53.812 -10.418 5.373 1.00 1.00 C ATOM 131 CD GLU A 9 54.689 -11.052 4.292 1.00 1.00 C ATOM 132 OE1 GLU A 9 55.473 -10.333 3.695 1.00 1.00 O ATOM 133 OE2 GLU A 9 54.562 -12.247 4.079 1.00 1.00 O ATOM 0 H GLU A 9 52.679 -8.258 5.705 1.00 1.00 H new ATOM 0 HA GLU A 9 53.423 -9.703 8.062 1.00 1.00 H new ATOM 0 HB2 GLU A 9 55.232 -8.836 5.766 1.00 1.00 H new ATOM 0 HB3 GLU A 9 55.428 -10.239 6.798 1.00 1.00 H new ATOM 0 HG2 GLU A 9 53.282 -11.193 5.927 1.00 1.00 H new ATOM 0 HG3 GLU A 9 53.056 -9.780 4.915 1.00 1.00 H new ATOM 140 N CYS A 10 54.360 -6.656 7.989 1.00 1.00 N ATOM 141 CA CYS A 10 55.113 -5.602 8.729 1.00 1.00 C ATOM 142 C CYS A 10 54.118 -4.631 9.369 1.00 1.00 C ATOM 143 O CYS A 10 53.163 -5.039 9.998 1.00 1.00 O ATOM 144 CB CYS A 10 56.018 -4.844 7.754 1.00 1.00 C ATOM 145 SG CYS A 10 57.284 -5.966 7.110 1.00 1.00 S ATOM 0 H CYS A 10 53.647 -6.306 7.349 1.00 1.00 H new ATOM 0 HA CYS A 10 55.725 -6.061 9.505 1.00 1.00 H new ATOM 0 HB2 CYS A 10 55.427 -4.437 6.934 1.00 1.00 H new ATOM 0 HB3 CYS A 10 56.488 -4.000 8.258 1.00 1.00 H new ATOM 150 N ARG A 11 54.326 -3.351 9.212 1.00 1.00 N ATOM 151 CA ARG A 11 53.383 -2.358 9.811 1.00 1.00 C ATOM 152 C ARG A 11 53.991 -0.956 9.705 1.00 1.00 C ATOM 153 O ARG A 11 55.057 -0.770 9.152 1.00 1.00 O ATOM 154 CB ARG A 11 53.130 -2.705 11.292 1.00 1.00 C ATOM 155 CG ARG A 11 51.697 -3.213 11.463 1.00 1.00 C ATOM 156 CD ARG A 11 51.604 -4.060 12.734 1.00 1.00 C ATOM 157 NE ARG A 11 51.717 -3.177 13.929 1.00 1.00 N ATOM 158 CZ ARG A 11 50.654 -2.596 14.414 1.00 1.00 C ATOM 159 NH1 ARG A 11 49.492 -2.788 13.853 1.00 1.00 N ATOM 160 NH2 ARG A 11 50.754 -1.823 15.461 1.00 1.00 N ATOM 0 H ARG A 11 55.108 -2.949 8.695 1.00 1.00 H new ATOM 0 HA ARG A 11 52.435 -2.386 9.273 1.00 1.00 H new ATOM 0 HB2 ARG A 11 53.838 -3.465 11.624 1.00 1.00 H new ATOM 0 HB3 ARG A 11 53.291 -1.825 11.915 1.00 1.00 H new ATOM 0 HG2 ARG A 11 51.006 -2.372 11.522 1.00 1.00 H new ATOM 0 HG3 ARG A 11 51.404 -3.805 10.596 1.00 1.00 H new ATOM 0 HD2 ARG A 11 50.657 -4.600 12.756 1.00 1.00 H new ATOM 0 HD3 ARG A 11 52.397 -4.807 12.745 1.00 1.00 H new ATOM 0 HE ARG A 11 52.625 -3.027 14.368 1.00 1.00 H new ATOM 0 HH11 ARG A 11 49.414 -3.392 13.035 1.00 1.00 H new ATOM 0 HH12 ARG A 11 48.661 -2.334 14.232 1.00 1.00 H new ATOM 0 HH21 ARG A 11 51.663 -1.673 15.900 1.00 1.00 H new ATOM 0 HH22 ARG A 11 49.923 -1.369 15.841 1.00 1.00 H new ATOM 174 N SER A 12 53.318 0.032 10.229 1.00 1.00 N ATOM 175 CA SER A 12 53.852 1.421 10.159 1.00 1.00 C ATOM 176 C SER A 12 55.317 1.430 10.600 1.00 1.00 C ATOM 177 O SER A 12 55.758 0.571 11.336 1.00 1.00 O ATOM 178 CB SER A 12 53.036 2.327 11.082 1.00 1.00 C ATOM 179 OG SER A 12 51.662 2.238 10.731 1.00 1.00 O ATOM 0 H SER A 12 52.420 -0.063 10.703 1.00 1.00 H new ATOM 0 HA SER A 12 53.781 1.786 9.134 1.00 1.00 H new ATOM 0 HB2 SER A 12 53.178 2.030 12.121 1.00 1.00 H new ATOM 0 HB3 SER A 12 53.379 3.358 10.996 1.00 1.00 H new ATOM 0 HG SER A 12 51.135 2.816 11.322 1.00 1.00 H new ATOM 185 N ALA A 13 56.072 2.397 10.156 1.00 1.00 N ATOM 186 CA ALA A 13 57.509 2.464 10.548 1.00 1.00 C ATOM 187 C ALA A 13 58.180 3.624 9.809 1.00 1.00 C ATOM 188 O ALA A 13 59.207 4.126 10.222 1.00 1.00 O ATOM 189 CB ALA A 13 58.201 1.148 10.179 1.00 1.00 C ATOM 0 H ALA A 13 55.756 3.144 9.538 1.00 1.00 H new ATOM 0 HA ALA A 13 57.589 2.623 11.623 1.00 1.00 H new ATOM 0 HB1 ALA A 13 59.252 1.197 10.465 1.00 1.00 H new ATOM 0 HB2 ALA A 13 57.719 0.324 10.705 1.00 1.00 H new ATOM 0 HB3 ALA A 13 58.125 0.986 9.104 1.00 1.00 H new ATOM 195 N THR A 14 57.607 4.055 8.719 1.00 1.00 N ATOM 196 CA THR A 14 58.209 5.181 7.953 1.00 1.00 C ATOM 197 C THR A 14 57.257 5.600 6.831 1.00 1.00 C ATOM 198 O THR A 14 56.936 4.821 5.955 1.00 1.00 O ATOM 199 CB THR A 14 59.544 4.734 7.351 1.00 1.00 C ATOM 200 OG1 THR A 14 59.853 5.551 6.231 1.00 1.00 O ATOM 201 CG2 THR A 14 59.443 3.273 6.909 1.00 1.00 C ATOM 0 H THR A 14 56.746 3.675 8.326 1.00 1.00 H new ATOM 0 HA THR A 14 58.378 6.026 8.621 1.00 1.00 H new ATOM 0 HB THR A 14 60.331 4.830 8.099 1.00 1.00 H new ATOM 0 HG1 THR A 14 60.708 5.267 5.845 1.00 1.00 H new ATOM 0 HG21 THR A 14 60.394 2.956 6.481 1.00 1.00 H new ATOM 0 HG22 THR A 14 59.206 2.648 7.770 1.00 1.00 H new ATOM 0 HG23 THR A 14 58.657 3.173 6.161 1.00 1.00 H new ATOM 209 N ARG A 15 56.803 6.823 6.850 1.00 1.00 N ATOM 210 CA ARG A 15 55.871 7.288 5.784 1.00 1.00 C ATOM 211 C ARG A 15 56.580 7.242 4.429 1.00 1.00 C ATOM 212 O ARG A 15 56.954 8.261 3.884 1.00 1.00 O ATOM 213 CB ARG A 15 55.431 8.724 6.082 1.00 1.00 C ATOM 214 CG ARG A 15 55.051 8.848 7.559 1.00 1.00 C ATOM 215 CD ARG A 15 54.014 7.779 7.911 1.00 1.00 C ATOM 216 NE ARG A 15 54.702 6.480 8.153 1.00 1.00 N ATOM 217 CZ ARG A 15 54.032 5.363 8.075 1.00 1.00 C ATOM 218 NH1 ARG A 15 52.760 5.383 7.784 1.00 1.00 N ATOM 219 NH2 ARG A 15 54.635 4.225 8.287 1.00 1.00 N ATOM 0 H ARG A 15 57.037 7.520 7.557 1.00 1.00 H new ATOM 0 HA ARG A 15 54.997 6.638 5.758 1.00 1.00 H new ATOM 0 HB2 ARG A 15 56.236 9.419 5.844 1.00 1.00 H new ATOM 0 HB3 ARG A 15 54.582 8.993 5.454 1.00 1.00 H new ATOM 0 HG2 ARG A 15 55.936 8.731 8.184 1.00 1.00 H new ATOM 0 HG3 ARG A 15 54.648 9.841 7.760 1.00 1.00 H new ATOM 0 HD2 ARG A 15 53.455 8.077 8.798 1.00 1.00 H new ATOM 0 HD3 ARG A 15 53.293 7.675 7.100 1.00 1.00 H new ATOM 0 HE ARG A 15 55.696 6.464 8.380 1.00 1.00 H new ATOM 0 HH11 ARG A 15 52.289 6.272 7.617 1.00 1.00 H new ATOM 0 HH12 ARG A 15 52.237 4.509 7.723 1.00 1.00 H new ATOM 0 HH21 ARG A 15 55.629 4.209 8.514 1.00 1.00 H new ATOM 0 HH22 ARG A 15 54.112 3.352 8.226 1.00 1.00 H new ATOM 233 N VAL A 16 56.763 6.065 3.886 1.00 1.00 N ATOM 234 CA VAL A 16 57.446 5.927 2.562 1.00 1.00 C ATOM 235 C VAL A 16 58.490 7.035 2.384 1.00 1.00 C ATOM 236 O VAL A 16 58.493 7.743 1.398 1.00 1.00 O ATOM 237 CB VAL A 16 56.409 6.009 1.436 1.00 1.00 C ATOM 238 CG1 VAL A 16 55.491 4.787 1.496 1.00 1.00 C ATOM 239 CG2 VAL A 16 55.575 7.281 1.605 1.00 1.00 C ATOM 0 H VAL A 16 56.466 5.185 4.307 1.00 1.00 H new ATOM 0 HA VAL A 16 57.949 4.961 2.524 1.00 1.00 H new ATOM 0 HB VAL A 16 56.919 6.032 0.473 1.00 1.00 H new ATOM 0 HG11 VAL A 16 54.754 4.846 0.695 1.00 1.00 H new ATOM 0 HG12 VAL A 16 56.084 3.880 1.377 1.00 1.00 H new ATOM 0 HG13 VAL A 16 54.980 4.763 2.458 1.00 1.00 H new ATOM 0 HG21 VAL A 16 54.837 7.341 0.805 1.00 1.00 H new ATOM 0 HG22 VAL A 16 55.065 7.257 2.568 1.00 1.00 H new ATOM 0 HG23 VAL A 16 56.228 8.153 1.562 1.00 1.00 H new ATOM 249 N MET A 17 59.374 7.187 3.334 1.00 1.00 N ATOM 250 CA MET A 17 60.419 8.247 3.229 1.00 1.00 C ATOM 251 C MET A 17 59.766 9.624 3.374 1.00 1.00 C ATOM 252 O MET A 17 60.121 10.403 4.237 1.00 1.00 O ATOM 253 CB MET A 17 61.120 8.150 1.867 1.00 1.00 C ATOM 254 CG MET A 17 62.512 8.777 1.963 1.00 1.00 C ATOM 255 SD MET A 17 63.148 9.093 0.299 1.00 1.00 S ATOM 256 CE MET A 17 64.030 10.626 0.680 1.00 1.00 C ATOM 0 H MET A 17 59.417 6.621 4.181 1.00 1.00 H new ATOM 0 HA MET A 17 61.154 8.109 4.022 1.00 1.00 H new ATOM 0 HB2 MET A 17 61.200 7.107 1.561 1.00 1.00 H new ATOM 0 HB3 MET A 17 60.531 8.662 1.106 1.00 1.00 H new ATOM 0 HG2 MET A 17 62.465 9.708 2.529 1.00 1.00 H new ATOM 0 HG3 MET A 17 63.186 8.111 2.501 1.00 1.00 H new ATOM 0 HE1 MET A 17 64.508 11.005 -0.223 1.00 1.00 H new ATOM 0 HE2 MET A 17 63.325 11.368 1.056 1.00 1.00 H new ATOM 0 HE3 MET A 17 64.789 10.430 1.437 1.00 1.00 H new ATOM 266 N GLY A 18 58.814 9.930 2.536 1.00 1.00 N ATOM 267 CA GLY A 18 58.138 11.256 2.621 1.00 1.00 C ATOM 268 C GLY A 18 57.486 11.575 1.275 1.00 1.00 C ATOM 269 O GLY A 18 56.582 10.892 0.837 1.00 1.00 O ATOM 0 H GLY A 18 58.474 9.318 1.794 1.00 1.00 H new ATOM 0 HA2 GLY A 18 57.385 11.244 3.409 1.00 1.00 H new ATOM 0 HA3 GLY A 18 58.860 12.030 2.881 1.00 1.00 H new ATOM 273 N GLY A 19 57.941 12.601 0.611 1.00 1.00 N ATOM 274 CA GLY A 19 57.348 12.950 -0.711 1.00 1.00 C ATOM 275 C GLY A 19 57.533 11.772 -1.668 1.00 1.00 C ATOM 276 O GLY A 19 58.060 10.742 -1.299 1.00 1.00 O ATOM 0 H GLY A 19 58.695 13.211 0.925 1.00 1.00 H new ATOM 0 HA2 GLY A 19 56.289 13.181 -0.599 1.00 1.00 H new ATOM 0 HA3 GLY A 19 57.828 13.842 -1.115 1.00 1.00 H new ATOM 280 N PRO A 20 57.104 11.924 -2.891 1.00 1.00 N ATOM 281 CA PRO A 20 57.225 10.855 -3.923 1.00 1.00 C ATOM 282 C PRO A 20 58.632 10.247 -3.954 1.00 1.00 C ATOM 283 O PRO A 20 59.492 10.618 -3.180 1.00 1.00 O ATOM 284 CB PRO A 20 56.919 11.583 -5.236 1.00 1.00 C ATOM 285 CG PRO A 20 56.060 12.742 -4.852 1.00 1.00 C ATOM 286 CD PRO A 20 56.455 13.132 -3.426 1.00 1.00 C ATOM 0 HA PRO A 20 56.555 10.018 -3.728 1.00 1.00 H new ATOM 0 HB2 PRO A 20 57.835 11.917 -5.724 1.00 1.00 H new ATOM 0 HB3 PRO A 20 56.404 10.928 -5.939 1.00 1.00 H new ATOM 0 HG2 PRO A 20 56.209 13.577 -5.536 1.00 1.00 H new ATOM 0 HG3 PRO A 20 55.005 12.474 -4.901 1.00 1.00 H new ATOM 0 HD2 PRO A 20 57.133 13.985 -3.419 1.00 1.00 H new ATOM 0 HD3 PRO A 20 55.584 13.412 -2.834 1.00 1.00 H new ATOM 294 N CYS A 21 58.872 9.318 -4.842 1.00 1.00 N ATOM 295 CA CYS A 21 60.221 8.688 -4.925 1.00 1.00 C ATOM 296 C CYS A 21 60.718 8.741 -6.372 1.00 1.00 C ATOM 297 O CYS A 21 60.384 7.902 -7.185 1.00 1.00 O ATOM 298 CB CYS A 21 60.133 7.230 -4.462 1.00 1.00 C ATOM 299 SG CYS A 21 61.685 6.757 -3.660 1.00 1.00 S ATOM 0 H CYS A 21 58.190 8.968 -5.515 1.00 1.00 H new ATOM 0 HA CYS A 21 60.917 9.228 -4.283 1.00 1.00 H new ATOM 0 HB2 CYS A 21 59.301 7.107 -3.769 1.00 1.00 H new ATOM 0 HB3 CYS A 21 59.938 6.578 -5.313 1.00 1.00 H new ATOM 304 N THR A 22 61.515 9.723 -6.698 1.00 1.00 N ATOM 305 CA THR A 22 62.037 9.834 -8.091 1.00 1.00 C ATOM 306 C THR A 22 63.447 9.233 -8.151 1.00 1.00 C ATOM 307 O THR A 22 64.266 9.491 -7.291 1.00 1.00 O ATOM 308 CB THR A 22 62.097 11.310 -8.493 1.00 1.00 C ATOM 309 OG1 THR A 22 63.065 11.977 -7.696 1.00 1.00 O ATOM 310 CG2 THR A 22 60.726 11.955 -8.281 1.00 1.00 C ATOM 0 H THR A 22 61.828 10.454 -6.059 1.00 1.00 H new ATOM 0 HA THR A 22 61.380 9.296 -8.774 1.00 1.00 H new ATOM 0 HB THR A 22 62.374 11.390 -9.544 1.00 1.00 H new ATOM 0 HG1 THR A 22 63.625 11.315 -7.239 1.00 1.00 H new ATOM 0 HG21 THR A 22 60.770 13.006 -8.568 1.00 1.00 H new ATOM 0 HG22 THR A 22 59.984 11.443 -8.894 1.00 1.00 H new ATOM 0 HG23 THR A 22 60.446 11.877 -7.231 1.00 1.00 H new ATOM 318 N PRO A 23 63.738 8.442 -9.155 1.00 1.00 N ATOM 319 CA PRO A 23 65.076 7.810 -9.311 1.00 1.00 C ATOM 320 C PRO A 23 66.218 8.760 -8.932 1.00 1.00 C ATOM 321 O PRO A 23 66.219 9.918 -9.298 1.00 1.00 O ATOM 322 CB PRO A 23 65.130 7.467 -10.799 1.00 1.00 C ATOM 323 CG PRO A 23 63.708 7.224 -11.190 1.00 1.00 C ATOM 324 CD PRO A 23 62.832 8.064 -10.252 1.00 1.00 C ATOM 0 HA PRO A 23 65.201 6.947 -8.657 1.00 1.00 H new ATOM 0 HB2 PRO A 23 65.565 8.283 -11.377 1.00 1.00 H new ATOM 0 HB3 PRO A 23 65.745 6.586 -10.979 1.00 1.00 H new ATOM 0 HG2 PRO A 23 63.541 7.507 -12.229 1.00 1.00 H new ATOM 0 HG3 PRO A 23 63.460 6.166 -11.104 1.00 1.00 H new ATOM 0 HD2 PRO A 23 62.433 8.942 -10.760 1.00 1.00 H new ATOM 0 HD3 PRO A 23 61.979 7.493 -9.885 1.00 1.00 H new ATOM 332 N ARG A 24 67.188 8.273 -8.201 1.00 1.00 N ATOM 333 CA ARG A 24 68.335 9.139 -7.793 1.00 1.00 C ATOM 334 C ARG A 24 69.640 8.536 -8.318 1.00 1.00 C ATOM 335 O ARG A 24 70.064 7.482 -7.889 1.00 1.00 O ATOM 336 CB ARG A 24 68.396 9.220 -6.266 1.00 1.00 C ATOM 337 CG ARG A 24 67.040 9.678 -5.725 1.00 1.00 C ATOM 338 CD ARG A 24 67.037 9.571 -4.198 1.00 1.00 C ATOM 339 NE ARG A 24 65.825 10.247 -3.656 1.00 1.00 N ATOM 340 CZ ARG A 24 65.819 11.541 -3.489 1.00 1.00 C ATOM 341 NH1 ARG A 24 66.874 12.243 -3.798 1.00 1.00 N ATOM 342 NH2 ARG A 24 64.757 12.133 -3.014 1.00 1.00 N ATOM 0 H ARG A 24 67.235 7.310 -7.868 1.00 1.00 H new ATOM 0 HA ARG A 24 68.200 10.138 -8.207 1.00 1.00 H new ATOM 0 HB2 ARG A 24 68.656 8.247 -5.850 1.00 1.00 H new ATOM 0 HB3 ARG A 24 69.176 9.917 -5.959 1.00 1.00 H new ATOM 0 HG2 ARG A 24 66.844 10.706 -6.028 1.00 1.00 H new ATOM 0 HG3 ARG A 24 66.243 9.064 -6.145 1.00 1.00 H new ATOM 0 HD2 ARG A 24 67.048 8.524 -3.896 1.00 1.00 H new ATOM 0 HD3 ARG A 24 67.937 10.030 -3.789 1.00 1.00 H new ATOM 0 HE ARG A 24 65.000 9.698 -3.415 1.00 1.00 H new ATOM 0 HH11 ARG A 24 67.703 11.780 -4.170 1.00 1.00 H new ATOM 0 HH12 ARG A 24 66.870 13.255 -3.668 1.00 1.00 H new ATOM 0 HH21 ARG A 24 63.932 11.584 -2.773 1.00 1.00 H new ATOM 0 HH22 ARG A 24 64.752 13.145 -2.883 1.00 1.00 H new ATOM 356 N LYS A 25 70.281 9.199 -9.244 1.00 1.00 N ATOM 357 CA LYS A 25 71.559 8.666 -9.797 1.00 1.00 C ATOM 358 C LYS A 25 71.403 7.175 -10.104 1.00 1.00 C ATOM 359 O LYS A 25 71.625 6.331 -9.259 1.00 1.00 O ATOM 360 CB LYS A 25 72.683 8.860 -8.773 1.00 1.00 C ATOM 361 CG LYS A 25 72.627 10.280 -8.205 1.00 1.00 C ATOM 362 CD LYS A 25 72.121 10.233 -6.762 1.00 1.00 C ATOM 363 CE LYS A 25 73.294 9.959 -5.818 1.00 1.00 C ATOM 364 NZ LYS A 25 73.787 8.568 -6.029 1.00 1.00 N ATOM 0 H LYS A 25 69.974 10.087 -9.641 1.00 1.00 H new ATOM 0 HA LYS A 25 71.806 9.202 -10.713 1.00 1.00 H new ATOM 0 HB2 LYS A 25 72.583 8.132 -7.968 1.00 1.00 H new ATOM 0 HB3 LYS A 25 73.650 8.685 -9.244 1.00 1.00 H new ATOM 0 HG2 LYS A 25 73.616 10.736 -8.240 1.00 1.00 H new ATOM 0 HG3 LYS A 25 71.968 10.900 -8.813 1.00 1.00 H new ATOM 0 HD2 LYS A 25 71.644 11.178 -6.502 1.00 1.00 H new ATOM 0 HD3 LYS A 25 71.365 9.455 -6.656 1.00 1.00 H new ATOM 0 HE2 LYS A 25 74.097 10.673 -6.002 1.00 1.00 H new ATOM 0 HE3 LYS A 25 72.980 10.092 -4.783 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 74.211 8.213 -5.148 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 72.992 7.956 -6.302 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 74.502 8.564 -6.784 1.00 1.00 H new ATOM 378 N GLY A 26 71.022 6.843 -11.307 1.00 1.00 N ATOM 379 CA GLY A 26 70.852 5.406 -11.664 1.00 1.00 C ATOM 380 C GLY A 26 72.201 4.822 -12.092 1.00 1.00 C ATOM 381 O GLY A 26 72.790 4.026 -11.387 1.00 1.00 O ATOM 0 H GLY A 26 70.821 7.504 -12.058 1.00 1.00 H new ATOM 0 HA2 GLY A 26 70.459 4.853 -10.811 1.00 1.00 H new ATOM 0 HA3 GLY A 26 70.127 5.304 -12.472 1.00 1.00 H new ATOM 385 N PRO A 27 72.686 5.217 -13.240 1.00 1.00 N ATOM 386 CA PRO A 27 73.988 4.727 -13.773 1.00 1.00 C ATOM 387 C PRO A 27 75.085 4.719 -12.700 1.00 1.00 C ATOM 388 O PRO A 27 75.010 5.448 -11.730 1.00 1.00 O ATOM 389 CB PRO A 27 74.327 5.735 -14.874 1.00 1.00 C ATOM 390 CG PRO A 27 73.011 6.266 -15.340 1.00 1.00 C ATOM 391 CD PRO A 27 72.046 6.176 -14.155 1.00 1.00 C ATOM 0 HA PRO A 27 73.923 3.698 -14.127 1.00 1.00 H new ATOM 0 HB2 PRO A 27 74.962 6.535 -14.493 1.00 1.00 H new ATOM 0 HB3 PRO A 27 74.870 5.259 -15.690 1.00 1.00 H new ATOM 0 HG2 PRO A 27 73.110 7.297 -15.679 1.00 1.00 H new ATOM 0 HG3 PRO A 27 72.639 5.687 -16.185 1.00 1.00 H new ATOM 0 HD2 PRO A 27 71.907 7.147 -13.680 1.00 1.00 H new ATOM 0 HD3 PRO A 27 71.061 5.830 -14.469 1.00 1.00 H new ATOM 399 N PRO A 28 76.101 3.912 -12.872 1.00 1.00 N ATOM 400 CA PRO A 28 77.225 3.833 -11.900 1.00 1.00 C ATOM 401 C PRO A 28 77.687 5.224 -11.459 1.00 1.00 C ATOM 402 O PRO A 28 77.398 6.214 -12.101 1.00 1.00 O ATOM 403 CB PRO A 28 78.331 3.119 -12.680 1.00 1.00 C ATOM 404 CG PRO A 28 77.621 2.292 -13.702 1.00 1.00 C ATOM 405 CD PRO A 28 76.292 2.993 -14.005 1.00 1.00 C ATOM 0 HA PRO A 28 76.943 3.314 -10.984 1.00 1.00 H new ATOM 0 HB2 PRO A 28 79.005 3.834 -13.152 1.00 1.00 H new ATOM 0 HB3 PRO A 28 78.937 2.496 -12.022 1.00 1.00 H new ATOM 0 HG2 PRO A 28 78.222 2.198 -14.607 1.00 1.00 H new ATOM 0 HG3 PRO A 28 77.448 1.283 -13.328 1.00 1.00 H new ATOM 0 HD2 PRO A 28 76.333 3.531 -14.952 1.00 1.00 H new ATOM 0 HD3 PRO A 28 75.473 2.278 -14.080 1.00 1.00 H new ATOM 413 N LYS A 29 78.404 5.309 -10.372 1.00 1.00 N ATOM 414 CA LYS A 29 78.883 6.639 -9.896 1.00 1.00 C ATOM 415 C LYS A 29 80.339 6.832 -10.322 1.00 1.00 C ATOM 416 O LYS A 29 81.012 7.734 -9.867 1.00 1.00 O ATOM 417 CB LYS A 29 78.787 6.701 -8.369 1.00 1.00 C ATOM 418 CG LYS A 29 77.322 6.590 -7.941 1.00 1.00 C ATOM 419 CD LYS A 29 76.671 7.974 -7.984 1.00 1.00 C ATOM 420 CE LYS A 29 76.891 8.683 -6.647 1.00 1.00 C ATOM 421 NZ LYS A 29 76.488 10.112 -6.770 1.00 1.00 N ATOM 0 HA LYS A 29 78.266 7.426 -10.330 1.00 1.00 H new ATOM 0 HB2 LYS A 29 79.368 5.893 -7.925 1.00 1.00 H new ATOM 0 HB3 LYS A 29 79.213 7.636 -8.006 1.00 1.00 H new ATOM 0 HG2 LYS A 29 76.790 5.906 -8.602 1.00 1.00 H new ATOM 0 HG3 LYS A 29 77.257 6.177 -6.934 1.00 1.00 H new ATOM 0 HD2 LYS A 29 77.098 8.564 -8.795 1.00 1.00 H new ATOM 0 HD3 LYS A 29 75.604 7.880 -8.186 1.00 1.00 H new ATOM 0 HE2 LYS A 29 76.309 8.196 -5.865 1.00 1.00 H new ATOM 0 HE3 LYS A 29 77.939 8.613 -6.354 1.00 1.00 H new ATOM 0 HZ1 LYS A 29 76.377 10.524 -5.822 1.00 1.00 H new ATOM 0 HZ2 LYS A 29 77.220 10.635 -7.291 1.00 1.00 H new ATOM 435 N CYS A 30 80.830 5.989 -11.190 1.00 1.00 N ATOM 436 CA CYS A 30 82.243 6.123 -11.641 1.00 1.00 C ATOM 437 C CYS A 30 83.172 6.036 -10.428 1.00 1.00 C ATOM 438 O CYS A 30 84.224 6.643 -10.395 1.00 1.00 O ATOM 439 CB CYS A 30 82.432 7.473 -12.336 1.00 1.00 C ATOM 440 SG CYS A 30 81.071 7.749 -13.497 1.00 1.00 S ATOM 0 HA CYS A 30 82.481 5.321 -12.340 1.00 1.00 H new ATOM 0 HB2 CYS A 30 82.462 8.274 -11.597 1.00 1.00 H new ATOM 0 HB3 CYS A 30 83.385 7.492 -12.865 1.00 1.00 H new ATOM 445 N LYS A 31 82.786 5.281 -9.431 1.00 1.00 N ATOM 446 CA LYS A 31 83.636 5.145 -8.211 1.00 1.00 C ATOM 447 C LYS A 31 84.002 3.674 -8.009 1.00 1.00 C ATOM 448 O LYS A 31 83.359 2.962 -7.263 1.00 1.00 O ATOM 449 CB LYS A 31 82.858 5.647 -6.994 1.00 1.00 C ATOM 450 CG LYS A 31 82.765 7.173 -7.042 1.00 1.00 C ATOM 451 CD LYS A 31 81.872 7.667 -5.902 1.00 1.00 C ATOM 452 CE LYS A 31 82.139 9.152 -5.649 1.00 1.00 C ATOM 453 NZ LYS A 31 82.458 9.826 -6.939 1.00 1.00 N ATOM 0 H LYS A 31 81.915 4.751 -9.410 1.00 1.00 H new ATOM 0 HA LYS A 31 84.546 5.733 -8.331 1.00 1.00 H new ATOM 0 HB2 LYS A 31 81.859 5.211 -6.983 1.00 1.00 H new ATOM 0 HB3 LYS A 31 83.354 5.331 -6.076 1.00 1.00 H new ATOM 0 HG2 LYS A 31 83.759 7.611 -6.955 1.00 1.00 H new ATOM 0 HG3 LYS A 31 82.358 7.493 -8.001 1.00 1.00 H new ATOM 0 HD2 LYS A 31 80.823 7.514 -6.155 1.00 1.00 H new ATOM 0 HD3 LYS A 31 82.069 7.092 -4.997 1.00 1.00 H new ATOM 0 HE2 LYS A 31 81.266 9.616 -5.190 1.00 1.00 H new ATOM 0 HE3 LYS A 31 82.967 9.270 -4.950 1.00 1.00 H new ATOM 0 HZ1 LYS A 31 82.340 10.854 -6.832 1.00 1.00 H new ATOM 0 HZ2 LYS A 31 83.441 9.616 -7.207 1.00 1.00 H new ATOM 0 HZ3 LYS A 31 81.816 9.479 -7.680 1.00 1.00 H new ATOM 467 N GLN A 32 85.031 3.213 -8.666 1.00 1.00 N ATOM 468 CA GLN A 32 85.442 1.787 -8.513 1.00 1.00 C ATOM 469 C GLN A 32 86.967 1.696 -8.575 1.00 1.00 C ATOM 470 O GLN A 32 87.520 0.819 -9.208 1.00 1.00 O ATOM 471 CB GLN A 32 84.830 0.956 -9.647 1.00 1.00 C ATOM 472 CG GLN A 32 84.666 -0.494 -9.187 1.00 1.00 C ATOM 473 CD GLN A 32 84.164 -1.346 -10.354 1.00 1.00 C ATOM 474 OE1 GLN A 32 83.343 -0.823 -11.223 1.00 1.00 O flip ATOM 475 NE2 GLN A 32 84.523 -2.500 -10.478 1.00 1.00 N flip ATOM 0 H GLN A 32 85.606 3.763 -9.304 1.00 1.00 H new ATOM 0 HA GLN A 32 85.092 1.402 -7.555 1.00 1.00 H new ATOM 0 HB2 GLN A 32 83.863 1.369 -9.934 1.00 1.00 H new ATOM 0 HB3 GLN A 32 85.469 0.999 -10.529 1.00 1.00 H new ATOM 0 HG2 GLN A 32 85.618 -0.881 -8.823 1.00 1.00 H new ATOM 0 HG3 GLN A 32 83.962 -0.546 -8.356 1.00 1.00 H new ATOM 0 HE21 GLN A 32 85.165 -2.910 -9.800 1.00 1.00 H new ATOM 0 HE22 GLN A 32 84.183 -3.059 -11.261 1.00 1.00 H new ATOM 484 N ARG A 33 87.649 2.597 -7.922 1.00 1.00 N ATOM 485 CA ARG A 33 89.142 2.570 -7.941 1.00 1.00 C ATOM 486 C ARG A 33 89.674 3.177 -6.640 1.00 1.00 C ATOM 487 O ARG A 33 90.212 4.266 -6.630 1.00 1.00 O ATOM 488 CB ARG A 33 89.661 3.393 -9.132 1.00 1.00 C ATOM 489 CG ARG A 33 89.544 2.574 -10.419 1.00 1.00 C ATOM 490 CD ARG A 33 88.337 3.058 -11.225 1.00 1.00 C ATOM 491 NE ARG A 33 87.993 2.045 -12.262 1.00 1.00 N ATOM 492 CZ ARG A 33 88.766 1.888 -13.302 1.00 1.00 C ATOM 493 NH1 ARG A 33 89.839 2.619 -13.434 1.00 1.00 N ATOM 494 NH2 ARG A 33 88.465 1.001 -14.210 1.00 1.00 N ATOM 0 H ARG A 33 87.237 3.353 -7.375 1.00 1.00 H new ATOM 0 HA ARG A 33 89.484 1.539 -8.037 1.00 1.00 H new ATOM 0 HB2 ARG A 33 89.089 4.316 -9.224 1.00 1.00 H new ATOM 0 HB3 ARG A 33 90.700 3.677 -8.964 1.00 1.00 H new ATOM 0 HG2 ARG A 33 90.454 2.675 -11.011 1.00 1.00 H new ATOM 0 HG3 ARG A 33 89.435 1.516 -10.181 1.00 1.00 H new ATOM 0 HD2 ARG A 33 87.486 3.220 -10.563 1.00 1.00 H new ATOM 0 HD3 ARG A 33 88.561 4.015 -11.696 1.00 1.00 H new ATOM 0 HE ARG A 33 87.154 1.474 -12.159 1.00 1.00 H new ATOM 0 HH11 ARG A 33 90.074 3.313 -12.724 1.00 1.00 H new ATOM 0 HH12 ARG A 33 90.443 2.496 -14.247 1.00 1.00 H new ATOM 0 HH21 ARG A 33 87.626 0.430 -14.107 1.00 1.00 H new ATOM 0 HH22 ARG A 33 89.069 0.878 -15.023 1.00 1.00 H new ATOM 508 N GLN A 34 89.528 2.480 -5.544 1.00 1.00 N ATOM 509 CA GLN A 34 90.026 3.009 -4.239 1.00 1.00 C ATOM 510 C GLN A 34 91.106 2.076 -3.694 1.00 1.00 C ATOM 511 O GLN A 34 92.283 2.374 -3.742 1.00 1.00 O ATOM 512 CB GLN A 34 88.869 3.077 -3.239 1.00 1.00 C ATOM 513 CG GLN A 34 87.915 4.206 -3.634 1.00 1.00 C ATOM 514 CD GLN A 34 86.994 4.533 -2.457 1.00 1.00 C ATOM 515 OE1 GLN A 34 87.401 4.461 -1.315 1.00 1.00 O ATOM 516 NE2 GLN A 34 85.761 4.890 -2.689 1.00 1.00 N ATOM 0 H GLN A 34 89.083 1.563 -5.496 1.00 1.00 H new ATOM 0 HA GLN A 34 90.440 4.006 -4.387 1.00 1.00 H new ATOM 0 HB2 GLN A 34 88.336 2.127 -3.219 1.00 1.00 H new ATOM 0 HB3 GLN A 34 89.254 3.247 -2.233 1.00 1.00 H new ATOM 0 HG2 GLN A 34 88.482 5.091 -3.922 1.00 1.00 H new ATOM 0 HG3 GLN A 34 87.324 3.910 -4.501 1.00 1.00 H new ATOM 0 HE21 GLN A 34 85.419 4.950 -3.648 1.00 1.00 H new ATOM 0 HE22 GLN A 34 85.138 5.109 -1.911 1.00 1.00 H new ATOM 525 N THR A 35 90.711 0.948 -3.175 1.00 1.00 N ATOM 526 CA THR A 35 91.706 -0.015 -2.622 1.00 1.00 C ATOM 527 C THR A 35 91.182 -1.441 -2.797 1.00 1.00 C ATOM 528 O THR A 35 91.937 -2.392 -2.811 1.00 1.00 O ATOM 529 CB THR A 35 91.921 0.268 -1.133 1.00 1.00 C ATOM 530 OG1 THR A 35 90.700 0.073 -0.435 1.00 1.00 O ATOM 531 CG2 THR A 35 92.392 1.712 -0.948 1.00 1.00 C ATOM 0 H THR A 35 89.738 0.649 -3.109 1.00 1.00 H new ATOM 0 HA THR A 35 92.652 0.096 -3.152 1.00 1.00 H new ATOM 0 HB THR A 35 92.678 -0.411 -0.740 1.00 1.00 H new ATOM 0 HG1 THR A 35 90.836 0.252 0.519 1.00 1.00 H new ATOM 0 HG21 THR A 35 92.545 1.912 0.113 1.00 1.00 H new ATOM 0 HG22 THR A 35 93.330 1.860 -1.484 1.00 1.00 H new ATOM 0 HG23 THR A 35 91.638 2.394 -1.341 1.00 1.00 H new ATOM 539 N ARG A 36 89.894 -1.596 -2.928 1.00 1.00 N ATOM 540 CA ARG A 36 89.323 -2.960 -3.100 1.00 1.00 C ATOM 541 C ARG A 36 89.791 -3.854 -1.949 1.00 1.00 C ATOM 542 O ARG A 36 90.517 -4.807 -2.148 1.00 1.00 O ATOM 543 CB ARG A 36 89.798 -3.546 -4.432 1.00 1.00 C ATOM 544 CG ARG A 36 89.049 -4.850 -4.714 1.00 1.00 C ATOM 545 CD ARG A 36 89.208 -5.222 -6.190 1.00 1.00 C ATOM 546 NE ARG A 36 88.823 -6.647 -6.387 1.00 1.00 N ATOM 547 CZ ARG A 36 89.621 -7.600 -5.989 1.00 1.00 C ATOM 548 NH1 ARG A 36 90.756 -7.304 -5.417 1.00 1.00 N ATOM 549 NH2 ARG A 36 89.283 -8.849 -6.161 1.00 1.00 N ATOM 0 H ARG A 36 89.213 -0.837 -2.923 1.00 1.00 H new ATOM 0 HA ARG A 36 88.234 -2.905 -3.097 1.00 1.00 H new ATOM 0 HB2 ARG A 36 89.624 -2.833 -5.238 1.00 1.00 H new ATOM 0 HB3 ARG A 36 90.872 -3.731 -4.397 1.00 1.00 H new ATOM 0 HG2 ARG A 36 89.438 -5.649 -4.083 1.00 1.00 H new ATOM 0 HG3 ARG A 36 87.993 -4.736 -4.469 1.00 1.00 H new ATOM 0 HD2 ARG A 36 88.584 -4.577 -6.808 1.00 1.00 H new ATOM 0 HD3 ARG A 36 90.239 -5.066 -6.506 1.00 1.00 H new ATOM 0 HE ARG A 36 87.935 -6.878 -6.833 1.00 1.00 H new ATOM 0 HH11 ARG A 36 91.019 -6.328 -5.281 1.00 1.00 H new ATOM 0 HH12 ARG A 36 91.380 -8.049 -5.106 1.00 1.00 H new ATOM 0 HH21 ARG A 36 88.395 -9.080 -6.607 1.00 1.00 H new ATOM 0 HH22 ARG A 36 89.907 -9.594 -5.850 1.00 1.00 H new ATOM 563 N GLN A 37 89.383 -3.549 -0.745 1.00 1.00 N ATOM 564 CA GLN A 37 89.806 -4.378 0.420 1.00 1.00 C ATOM 565 C GLN A 37 89.114 -3.867 1.687 1.00 1.00 C ATOM 566 O GLN A 37 88.878 -2.685 1.842 1.00 1.00 O ATOM 567 CB GLN A 37 91.327 -4.276 0.588 1.00 1.00 C ATOM 568 CG GLN A 37 91.742 -4.927 1.909 1.00 1.00 C ATOM 569 CD GLN A 37 91.159 -6.339 1.989 1.00 1.00 C ATOM 570 OE1 GLN A 37 90.781 -6.794 3.050 1.00 1.00 O ATOM 571 NE2 GLN A 37 91.068 -7.056 0.902 1.00 1.00 N ATOM 0 H GLN A 37 88.775 -2.762 -0.519 1.00 1.00 H new ATOM 0 HA GLN A 37 89.527 -5.418 0.251 1.00 1.00 H new ATOM 0 HB2 GLN A 37 91.829 -4.768 -0.245 1.00 1.00 H new ATOM 0 HB3 GLN A 37 91.635 -3.231 0.573 1.00 1.00 H new ATOM 0 HG2 GLN A 37 92.829 -4.967 1.981 1.00 1.00 H new ATOM 0 HG3 GLN A 37 91.388 -4.328 2.748 1.00 1.00 H new ATOM 0 HE21 GLN A 37 91.385 -6.674 0.011 1.00 1.00 H new ATOM 0 HE22 GLN A 37 90.680 -7.998 0.944 1.00 1.00 H new ATOM 580 N CYS A 38 88.792 -4.751 2.596 1.00 1.00 N ATOM 581 CA CYS A 38 88.119 -4.326 3.860 1.00 1.00 C ATOM 582 C CYS A 38 88.980 -4.739 5.054 1.00 1.00 C ATOM 583 O CYS A 38 89.081 -4.028 6.034 1.00 1.00 O ATOM 584 CB CYS A 38 86.749 -5.000 3.960 1.00 1.00 C ATOM 585 SG CYS A 38 86.138 -4.876 5.659 1.00 1.00 S ATOM 0 H CYS A 38 88.967 -5.753 2.517 1.00 1.00 H new ATOM 0 HA CYS A 38 87.990 -3.244 3.860 1.00 1.00 H new ATOM 0 HB2 CYS A 38 86.047 -4.525 3.274 1.00 1.00 H new ATOM 0 HB3 CYS A 38 86.824 -6.047 3.665 1.00 1.00 H new ATOM 590 N LYS A 39 89.606 -5.881 4.980 1.00 1.00 N ATOM 591 CA LYS A 39 90.464 -6.331 6.111 1.00 1.00 C ATOM 592 C LYS A 39 91.734 -5.475 6.139 1.00 1.00 C ATOM 593 O LYS A 39 92.760 -5.882 6.647 1.00 1.00 O ATOM 594 CB LYS A 39 90.830 -7.814 5.916 1.00 1.00 C ATOM 595 CG LYS A 39 90.084 -8.665 6.945 1.00 1.00 C ATOM 596 CD LYS A 39 88.585 -8.642 6.638 1.00 1.00 C ATOM 597 CE LYS A 39 87.883 -9.744 7.434 1.00 1.00 C ATOM 598 NZ LYS A 39 88.522 -9.872 8.774 1.00 1.00 N ATOM 0 H LYS A 39 89.561 -6.521 4.187 1.00 1.00 H new ATOM 0 HA LYS A 39 89.930 -6.220 7.055 1.00 1.00 H new ATOM 0 HB2 LYS A 39 90.570 -8.134 4.907 1.00 1.00 H new ATOM 0 HB3 LYS A 39 91.906 -7.951 6.026 1.00 1.00 H new ATOM 0 HG2 LYS A 39 90.455 -9.690 6.922 1.00 1.00 H new ATOM 0 HG3 LYS A 39 90.266 -8.282 7.949 1.00 1.00 H new ATOM 0 HD2 LYS A 39 88.165 -7.669 6.895 1.00 1.00 H new ATOM 0 HD3 LYS A 39 88.419 -8.788 5.571 1.00 1.00 H new ATOM 0 HE2 LYS A 39 86.824 -9.509 7.545 1.00 1.00 H new ATOM 0 HE3 LYS A 39 87.945 -10.691 6.898 1.00 1.00 H new ATOM 0 HZ1 LYS A 39 87.882 -10.381 9.416 1.00 1.00 H new ATOM 0 HZ2 LYS A 39 89.414 -10.399 8.684 1.00 1.00 H new ATOM 0 HZ3 LYS A 39 88.716 -8.925 9.158 1.00 1.00 H new ATOM 612 N SER A 40 91.671 -4.290 5.593 1.00 1.00 N ATOM 613 CA SER A 40 92.871 -3.406 5.582 1.00 1.00 C ATOM 614 C SER A 40 92.943 -2.619 6.894 1.00 1.00 C ATOM 615 O SER A 40 93.970 -2.573 7.540 1.00 1.00 O ATOM 616 CB SER A 40 92.777 -2.435 4.402 1.00 1.00 C ATOM 617 OG SER A 40 93.282 -3.068 3.234 1.00 1.00 O ATOM 0 H SER A 40 90.839 -3.896 5.154 1.00 1.00 H new ATOM 0 HA SER A 40 93.770 -4.014 5.480 1.00 1.00 H new ATOM 0 HB2 SER A 40 91.742 -2.132 4.247 1.00 1.00 H new ATOM 0 HB3 SER A 40 93.346 -1.530 4.614 1.00 1.00 H new ATOM 0 HG SER A 40 93.222 -2.450 2.475 1.00 1.00 H new ATOM 623 N LYS A 41 91.866 -1.992 7.292 1.00 1.00 N ATOM 624 CA LYS A 41 91.892 -1.206 8.561 1.00 1.00 C ATOM 625 C LYS A 41 90.515 -1.275 9.235 1.00 1.00 C ATOM 626 O LYS A 41 89.522 -1.574 8.602 1.00 1.00 O ATOM 627 CB LYS A 41 92.250 0.259 8.253 1.00 1.00 C ATOM 628 CG LYS A 41 92.355 0.453 6.739 1.00 1.00 C ATOM 629 CD LYS A 41 92.392 1.948 6.416 1.00 1.00 C ATOM 630 CE LYS A 41 92.333 2.145 4.901 1.00 1.00 C ATOM 631 NZ LYS A 41 91.040 1.617 4.381 1.00 1.00 N ATOM 0 H LYS A 41 90.975 -1.990 6.796 1.00 1.00 H new ATOM 0 HA LYS A 41 92.642 -1.624 9.233 1.00 1.00 H new ATOM 0 HB2 LYS A 41 91.490 0.924 8.663 1.00 1.00 H new ATOM 0 HB3 LYS A 41 93.194 0.521 8.730 1.00 1.00 H new ATOM 0 HG2 LYS A 41 93.254 -0.034 6.361 1.00 1.00 H new ATOM 0 HG3 LYS A 41 91.506 -0.016 6.242 1.00 1.00 H new ATOM 0 HD2 LYS A 41 91.552 2.454 6.892 1.00 1.00 H new ATOM 0 HD3 LYS A 41 93.302 2.395 6.816 1.00 1.00 H new ATOM 0 HE2 LYS A 41 92.430 3.203 4.657 1.00 1.00 H new ATOM 0 HE3 LYS A 41 93.167 1.630 4.424 1.00 1.00 H new ATOM 0 HZ1 LYS A 41 90.793 2.111 3.500 1.00 1.00 H new ATOM 0 HZ2 LYS A 41 91.131 0.598 4.193 1.00 1.00 H new ATOM 0 HZ3 LYS A 41 90.292 1.773 5.087 1.00 1.00 H new ATOM 645 N PRO A 42 90.460 -1.000 10.514 1.00 1.00 N ATOM 646 CA PRO A 42 89.187 -1.031 11.292 1.00 1.00 C ATOM 647 C PRO A 42 88.287 0.175 10.988 1.00 1.00 C ATOM 648 O PRO A 42 88.740 1.183 10.483 1.00 1.00 O ATOM 649 CB PRO A 42 89.654 -0.999 12.751 1.00 1.00 C ATOM 650 CG PRO A 42 90.984 -0.321 12.722 1.00 1.00 C ATOM 651 CD PRO A 42 91.608 -0.629 11.358 1.00 1.00 C ATOM 0 HA PRO A 42 88.583 -1.905 11.046 1.00 1.00 H new ATOM 0 HB2 PRO A 42 88.948 -0.455 13.378 1.00 1.00 H new ATOM 0 HB3 PRO A 42 89.734 -2.006 13.161 1.00 1.00 H new ATOM 0 HG2 PRO A 42 90.873 0.754 12.862 1.00 1.00 H new ATOM 0 HG3 PRO A 42 91.621 -0.684 13.529 1.00 1.00 H new ATOM 0 HD2 PRO A 42 92.135 0.236 10.956 1.00 1.00 H new ATOM 0 HD3 PRO A 42 92.332 -1.441 11.425 1.00 1.00 H new ATOM 659 N PRO A 43 87.020 0.069 11.300 1.00 1.00 N ATOM 660 CA PRO A 43 86.037 1.167 11.064 1.00 1.00 C ATOM 661 C PRO A 43 86.251 2.338 12.030 1.00 1.00 C ATOM 662 O PRO A 43 86.322 2.158 13.230 1.00 1.00 O ATOM 663 CB PRO A 43 84.680 0.499 11.312 1.00 1.00 C ATOM 664 CG PRO A 43 84.968 -0.637 12.237 1.00 1.00 C ATOM 665 CD PRO A 43 86.387 -1.109 11.916 1.00 1.00 C ATOM 0 HA PRO A 43 86.129 1.595 10.066 1.00 1.00 H new ATOM 0 HB2 PRO A 43 83.972 1.199 11.756 1.00 1.00 H new ATOM 0 HB3 PRO A 43 84.238 0.146 10.380 1.00 1.00 H new ATOM 0 HG2 PRO A 43 84.891 -0.320 13.277 1.00 1.00 H new ATOM 0 HG3 PRO A 43 84.249 -1.444 12.096 1.00 1.00 H new ATOM 0 HD2 PRO A 43 86.917 -1.423 12.815 1.00 1.00 H new ATOM 0 HD3 PRO A 43 86.381 -1.961 11.236 1.00 1.00 H new ATOM 673 N LYS A 44 86.360 3.533 11.517 1.00 1.00 N ATOM 674 CA LYS A 44 86.578 4.712 12.403 1.00 1.00 C ATOM 675 C LYS A 44 85.551 4.715 13.541 1.00 1.00 C ATOM 676 O LYS A 44 85.601 5.544 14.427 1.00 1.00 O ATOM 677 CB LYS A 44 86.438 6.000 11.586 1.00 1.00 C ATOM 678 CG LYS A 44 87.131 7.148 12.323 1.00 1.00 C ATOM 679 CD LYS A 44 86.939 8.448 11.539 1.00 1.00 C ATOM 680 CE LYS A 44 87.262 9.641 12.441 1.00 1.00 C ATOM 681 NZ LYS A 44 86.372 9.616 13.635 1.00 1.00 N ATOM 0 H LYS A 44 86.307 3.744 10.521 1.00 1.00 H new ATOM 0 HA LYS A 44 87.580 4.655 12.828 1.00 1.00 H new ATOM 0 HB2 LYS A 44 86.881 5.867 10.599 1.00 1.00 H new ATOM 0 HB3 LYS A 44 85.384 6.234 11.434 1.00 1.00 H new ATOM 0 HG2 LYS A 44 86.718 7.252 13.326 1.00 1.00 H new ATOM 0 HG3 LYS A 44 88.194 6.933 12.436 1.00 1.00 H new ATOM 0 HD2 LYS A 44 87.587 8.455 10.662 1.00 1.00 H new ATOM 0 HD3 LYS A 44 85.913 8.519 11.178 1.00 1.00 H new ATOM 0 HE2 LYS A 44 88.306 9.604 12.752 1.00 1.00 H new ATOM 0 HE3 LYS A 44 87.126 10.573 11.892 1.00 1.00 H new ATOM 0 HZ1 LYS A 44 86.190 10.589 13.953 1.00 1.00 H new ATOM 0 HZ2 LYS A 44 85.471 9.159 13.387 1.00 1.00 H new ATOM 0 HZ3 LYS A 44 86.832 9.082 14.400 1.00 1.00 H new ATOM 695 N LYS A 45 84.622 3.798 13.530 1.00 1.00 N ATOM 696 CA LYS A 45 83.604 3.759 14.618 1.00 1.00 C ATOM 697 C LYS A 45 82.722 5.008 14.534 1.00 1.00 C ATOM 698 O LYS A 45 83.062 6.055 15.048 1.00 1.00 O ATOM 699 CB LYS A 45 84.317 3.718 15.977 1.00 1.00 C ATOM 700 CG LYS A 45 83.410 3.049 17.011 1.00 1.00 C ATOM 701 CD LYS A 45 84.122 3.005 18.364 1.00 1.00 C ATOM 702 CE LYS A 45 83.832 4.294 19.136 1.00 1.00 C ATOM 703 NZ LYS A 45 82.449 4.241 19.689 1.00 1.00 N ATOM 0 H LYS A 45 84.524 3.076 12.816 1.00 1.00 H new ATOM 0 HA LYS A 45 82.981 2.871 14.509 1.00 1.00 H new ATOM 0 HB2 LYS A 45 85.255 3.169 15.891 1.00 1.00 H new ATOM 0 HB3 LYS A 45 84.568 4.729 16.298 1.00 1.00 H new ATOM 0 HG2 LYS A 45 82.473 3.600 17.099 1.00 1.00 H new ATOM 0 HG3 LYS A 45 83.157 2.039 16.689 1.00 1.00 H new ATOM 0 HD2 LYS A 45 83.784 2.142 18.937 1.00 1.00 H new ATOM 0 HD3 LYS A 45 85.196 2.890 18.218 1.00 1.00 H new ATOM 0 HE2 LYS A 45 84.554 4.417 19.944 1.00 1.00 H new ATOM 0 HE3 LYS A 45 83.939 5.157 18.478 1.00 1.00 H new ATOM 0 HZ1 LYS A 45 82.366 4.910 20.481 1.00 1.00 H new ATOM 0 HZ2 LYS A 45 81.768 4.498 18.946 1.00 1.00 H new ATOM 0 HZ3 LYS A 45 82.247 3.278 20.026 1.00 1.00 H new ATOM 717 N GLY A 46 81.591 4.906 13.889 1.00 1.00 N ATOM 718 CA GLY A 46 80.688 6.087 13.771 1.00 1.00 C ATOM 719 C GLY A 46 79.692 6.088 14.931 1.00 1.00 C ATOM 720 O GLY A 46 79.967 5.578 15.999 1.00 1.00 O ATOM 0 H GLY A 46 81.253 4.055 13.439 1.00 1.00 H new ATOM 0 HA2 GLY A 46 81.273 7.007 13.779 1.00 1.00 H new ATOM 0 HA3 GLY A 46 80.155 6.057 12.821 1.00 1.00 H new ATOM 724 N VAL A 47 78.535 6.658 14.731 1.00 1.00 N ATOM 725 CA VAL A 47 77.523 6.692 15.823 1.00 1.00 C ATOM 726 C VAL A 47 76.916 5.297 16.002 1.00 1.00 C ATOM 727 O VAL A 47 76.184 5.043 16.937 1.00 1.00 O ATOM 728 CB VAL A 47 76.421 7.693 15.464 1.00 1.00 C ATOM 729 CG1 VAL A 47 75.299 7.612 16.501 1.00 1.00 C ATOM 730 CG2 VAL A 47 77.003 9.108 15.454 1.00 1.00 C ATOM 0 H VAL A 47 78.248 7.101 13.859 1.00 1.00 H new ATOM 0 HA VAL A 47 78.000 6.998 16.754 1.00 1.00 H new ATOM 0 HB VAL A 47 76.022 7.455 14.478 1.00 1.00 H new ATOM 0 HG11 VAL A 47 74.515 8.325 16.245 1.00 1.00 H new ATOM 0 HG12 VAL A 47 74.884 6.604 16.510 1.00 1.00 H new ATOM 0 HG13 VAL A 47 75.697 7.850 17.487 1.00 1.00 H new ATOM 0 HG21 VAL A 47 76.220 9.822 15.199 1.00 1.00 H new ATOM 0 HG22 VAL A 47 77.402 9.344 16.441 1.00 1.00 H new ATOM 0 HG23 VAL A 47 77.803 9.167 14.716 1.00 1.00 H new ATOM 740 N GLN A 48 77.219 4.390 15.113 1.00 1.00 N ATOM 741 CA GLN A 48 76.665 3.011 15.231 1.00 1.00 C ATOM 742 C GLN A 48 77.602 2.028 14.527 1.00 1.00 C ATOM 743 O GLN A 48 77.465 0.827 14.647 1.00 1.00 O ATOM 744 CB GLN A 48 75.278 2.957 14.579 1.00 1.00 C ATOM 745 CG GLN A 48 75.241 3.907 13.380 1.00 1.00 C ATOM 746 CD GLN A 48 76.386 3.568 12.424 1.00 1.00 C ATOM 747 OE1 GLN A 48 77.358 4.292 12.341 1.00 1.00 O ATOM 748 NE2 GLN A 48 76.312 2.489 11.693 1.00 1.00 N ATOM 0 H GLN A 48 77.827 4.545 14.309 1.00 1.00 H new ATOM 0 HA GLN A 48 76.578 2.741 16.284 1.00 1.00 H new ATOM 0 HB2 GLN A 48 75.055 1.940 14.258 1.00 1.00 H new ATOM 0 HB3 GLN A 48 74.513 3.238 15.303 1.00 1.00 H new ATOM 0 HG2 GLN A 48 74.285 3.821 12.864 1.00 1.00 H new ATOM 0 HG3 GLN A 48 75.329 4.940 13.718 1.00 1.00 H new ATOM 0 HE21 GLN A 48 75.496 1.881 11.762 1.00 1.00 H new ATOM 0 HE22 GLN A 48 77.070 2.254 11.052 1.00 1.00 H new ATOM 757 N GLY A 49 78.552 2.533 13.786 1.00 1.00 N ATOM 758 CA GLY A 49 79.504 1.642 13.062 1.00 1.00 C ATOM 759 C GLY A 49 79.617 2.120 11.617 1.00 1.00 C ATOM 760 O GLY A 49 79.266 1.419 10.689 1.00 1.00 O ATOM 0 H GLY A 49 78.710 3.532 13.651 1.00 1.00 H new ATOM 0 HA2 GLY A 49 80.481 1.662 13.544 1.00 1.00 H new ATOM 0 HA3 GLY A 49 79.154 0.610 13.093 1.00 1.00 H new ATOM 764 N CYS A 50 80.090 3.319 11.420 1.00 1.00 N ATOM 765 CA CYS A 50 80.211 3.853 10.036 1.00 1.00 C ATOM 766 C CYS A 50 81.021 5.151 10.062 1.00 1.00 C ATOM 767 O CYS A 50 81.782 5.402 10.975 1.00 1.00 O ATOM 768 CB CYS A 50 78.809 4.130 9.481 1.00 1.00 C ATOM 769 SG CYS A 50 78.661 3.410 7.827 1.00 1.00 S ATOM 0 H CYS A 50 80.398 3.952 12.158 1.00 1.00 H new ATOM 0 HA CYS A 50 80.717 3.126 9.401 1.00 1.00 H new ATOM 0 HB2 CYS A 50 78.054 3.706 10.143 1.00 1.00 H new ATOM 0 HB3 CYS A 50 78.629 5.204 9.439 1.00 1.00 H new ATOM 774 N GLY A 51 80.855 5.982 9.070 1.00 1.00 N ATOM 775 CA GLY A 51 81.606 7.268 9.041 1.00 1.00 C ATOM 776 C GLY A 51 80.780 8.345 9.744 1.00 1.00 C ATOM 777 O GLY A 51 81.310 9.221 10.398 1.00 1.00 O ATOM 0 H GLY A 51 80.231 5.826 8.278 1.00 1.00 H new ATOM 0 HA2 GLY A 51 82.571 7.151 9.535 1.00 1.00 H new ATOM 0 HA3 GLY A 51 81.809 7.562 8.011 1.00 1.00 H new ATOM 781 N ASP A 52 79.481 8.283 9.616 1.00 1.00 N ATOM 782 CA ASP A 52 78.616 9.300 10.277 1.00 1.00 C ATOM 783 C ASP A 52 79.143 10.699 9.956 1.00 1.00 C ATOM 784 O ASP A 52 79.897 11.277 10.713 1.00 1.00 O ATOM 785 CB ASP A 52 78.637 9.078 11.792 1.00 1.00 C ATOM 786 CG ASP A 52 77.465 9.823 12.435 1.00 1.00 C ATOM 787 OD1 ASP A 52 76.355 9.326 12.349 1.00 1.00 O ATOM 788 OD2 ASP A 52 77.699 10.878 13.001 1.00 1.00 O ATOM 0 H ASP A 52 78.983 7.571 9.082 1.00 1.00 H new ATOM 0 HA ASP A 52 77.594 9.205 9.911 1.00 1.00 H new ATOM 0 HB2 ASP A 52 78.571 8.013 12.015 1.00 1.00 H new ATOM 0 HB3 ASP A 52 79.580 9.433 12.209 1.00 1.00 H new ATOM 793 N ASP A 53 78.755 11.247 8.837 1.00 1.00 N ATOM 794 CA ASP A 53 79.239 12.607 8.468 1.00 1.00 C ATOM 795 C ASP A 53 78.467 13.113 7.246 1.00 1.00 C ATOM 796 O ASP A 53 77.623 13.980 7.350 1.00 1.00 O ATOM 797 CB ASP A 53 80.731 12.539 8.136 1.00 1.00 C ATOM 798 CG ASP A 53 81.275 13.955 7.936 1.00 1.00 C ATOM 799 OD1 ASP A 53 80.685 14.876 8.476 1.00 1.00 O ATOM 800 OD2 ASP A 53 82.272 14.094 7.247 1.00 1.00 O ATOM 0 H ASP A 53 78.125 10.812 8.163 1.00 1.00 H new ATOM 0 HA ASP A 53 79.080 13.289 9.303 1.00 1.00 H new ATOM 0 HB2 ASP A 53 81.271 12.041 8.941 1.00 1.00 H new ATOM 0 HB3 ASP A 53 80.887 11.947 7.234 1.00 1.00 H new ATOM 805 N ILE A 54 78.755 12.577 6.089 1.00 1.00 N ATOM 806 CA ILE A 54 78.046 13.022 4.852 1.00 1.00 C ATOM 807 C ILE A 54 77.040 11.948 4.423 1.00 1.00 C ATOM 808 O ILE A 54 77.311 11.169 3.531 1.00 1.00 O ATOM 809 CB ILE A 54 79.068 13.220 3.731 1.00 1.00 C ATOM 810 CG1 ILE A 54 80.264 14.010 4.267 1.00 1.00 C ATOM 811 CG2 ILE A 54 78.422 13.994 2.581 1.00 1.00 C ATOM 812 CD1 ILE A 54 81.234 14.309 3.122 1.00 1.00 C ATOM 0 H ILE A 54 79.453 11.847 5.947 1.00 1.00 H new ATOM 0 HA ILE A 54 77.523 13.957 5.050 1.00 1.00 H new ATOM 0 HB ILE A 54 79.404 12.248 3.371 1.00 1.00 H new ATOM 0 HG12 ILE A 54 79.924 14.940 4.722 1.00 1.00 H new ATOM 0 HG13 ILE A 54 80.770 13.440 5.047 1.00 1.00 H new ATOM 0 HG21 ILE A 54 79.151 14.135 1.783 1.00 1.00 H new ATOM 0 HG22 ILE A 54 77.569 13.433 2.199 1.00 1.00 H new ATOM 0 HG23 ILE A 54 78.085 14.966 2.941 1.00 1.00 H new ATOM 0 HD11 ILE A 54 82.086 14.872 3.504 1.00 1.00 H new ATOM 0 HD12 ILE A 54 81.583 13.373 2.687 1.00 1.00 H new ATOM 0 HD13 ILE A 54 80.725 14.896 2.358 1.00 1.00 H new ATOM 824 N PRO A 55 75.888 11.896 5.048 1.00 1.00 N ATOM 825 CA PRO A 55 74.849 10.893 4.711 1.00 1.00 C ATOM 826 C PRO A 55 74.802 10.610 3.205 1.00 1.00 C ATOM 827 O PRO A 55 74.227 11.363 2.447 1.00 1.00 O ATOM 828 CB PRO A 55 73.538 11.534 5.192 1.00 1.00 C ATOM 829 CG PRO A 55 73.915 12.665 6.102 1.00 1.00 C ATOM 830 CD PRO A 55 75.444 12.780 6.131 1.00 1.00 C ATOM 0 HA PRO A 55 75.043 9.928 5.180 1.00 1.00 H new ATOM 0 HB2 PRO A 55 72.953 11.897 4.347 1.00 1.00 H new ATOM 0 HB3 PRO A 55 72.921 10.805 5.717 1.00 1.00 H new ATOM 0 HG2 PRO A 55 73.472 13.597 5.751 1.00 1.00 H new ATOM 0 HG3 PRO A 55 73.530 12.487 7.106 1.00 1.00 H new ATOM 0 HD2 PRO A 55 75.770 13.807 5.967 1.00 1.00 H new ATOM 0 HD3 PRO A 55 75.849 12.467 7.093 1.00 1.00 H new ATOM 838 N GLY A 56 75.420 9.533 2.783 1.00 1.00 N ATOM 839 CA GLY A 56 75.454 9.162 1.329 1.00 1.00 C ATOM 840 C GLY A 56 74.359 9.886 0.538 1.00 1.00 C ATOM 841 O GLY A 56 73.351 9.307 0.186 1.00 1.00 O ATOM 0 H GLY A 56 75.912 8.882 3.395 1.00 1.00 H new ATOM 0 HA2 GLY A 56 76.430 9.410 0.912 1.00 1.00 H new ATOM 0 HA3 GLY A 56 75.328 8.084 1.224 1.00 1.00 H new ATOM 845 N MET A 57 74.564 11.146 0.247 1.00 1.00 N ATOM 846 CA MET A 57 73.555 11.928 -0.532 1.00 1.00 C ATOM 847 C MET A 57 72.140 11.418 -0.239 1.00 1.00 C ATOM 848 O MET A 57 71.314 11.312 -1.125 1.00 1.00 O ATOM 849 CB MET A 57 73.848 11.780 -2.028 1.00 1.00 C ATOM 850 CG MET A 57 75.033 12.670 -2.407 1.00 1.00 C ATOM 851 SD MET A 57 74.534 14.408 -2.321 1.00 1.00 S ATOM 852 CE MET A 57 75.853 14.968 -1.215 1.00 1.00 C ATOM 0 H MET A 57 75.395 11.671 0.518 1.00 1.00 H new ATOM 0 HA MET A 57 73.618 12.976 -0.241 1.00 1.00 H new ATOM 0 HB2 MET A 57 74.071 10.740 -2.264 1.00 1.00 H new ATOM 0 HB3 MET A 57 72.970 12.058 -2.611 1.00 1.00 H new ATOM 0 HG2 MET A 57 75.869 12.487 -1.732 1.00 1.00 H new ATOM 0 HG3 MET A 57 75.376 12.428 -3.413 1.00 1.00 H new ATOM 0 HE1 MET A 57 75.738 16.035 -1.023 1.00 1.00 H new ATOM 0 HE2 MET A 57 75.795 14.421 -0.274 1.00 1.00 H new ATOM 0 HE3 MET A 57 76.821 14.786 -1.682 1.00 1.00 H new ATOM 862 N GLU A 58 71.851 11.100 0.993 1.00 1.00 N ATOM 863 CA GLU A 58 70.488 10.597 1.332 1.00 1.00 C ATOM 864 C GLU A 58 70.112 11.046 2.747 1.00 1.00 C ATOM 865 O GLU A 58 69.534 12.097 2.939 1.00 1.00 O ATOM 866 CB GLU A 58 70.477 9.067 1.254 1.00 1.00 C ATOM 867 CG GLU A 58 69.045 8.556 1.425 1.00 1.00 C ATOM 868 CD GLU A 58 68.203 8.982 0.221 1.00 1.00 C ATOM 869 OE1 GLU A 58 68.609 8.695 -0.893 1.00 1.00 O ATOM 870 OE2 GLU A 58 67.167 9.589 0.433 1.00 1.00 O ATOM 0 H GLU A 58 72.498 11.166 1.779 1.00 1.00 H new ATOM 0 HA GLU A 58 69.764 11.001 0.624 1.00 1.00 H new ATOM 0 HB2 GLU A 58 70.879 8.739 0.296 1.00 1.00 H new ATOM 0 HB3 GLU A 58 71.119 8.648 2.029 1.00 1.00 H new ATOM 0 HG2 GLU A 58 69.044 7.470 1.517 1.00 1.00 H new ATOM 0 HG3 GLU A 58 68.613 8.954 2.343 1.00 1.00 H new ATOM 877 N GLY A 59 70.434 10.262 3.739 1.00 1.00 N ATOM 878 CA GLY A 59 70.090 10.652 5.135 1.00 1.00 C ATOM 879 C GLY A 59 70.355 9.474 6.074 1.00 1.00 C ATOM 880 O GLY A 59 69.501 9.073 6.839 1.00 1.00 O ATOM 0 H GLY A 59 70.919 9.370 3.643 1.00 1.00 H new ATOM 0 HA2 GLY A 59 70.683 11.514 5.440 1.00 1.00 H new ATOM 0 HA3 GLY A 59 69.043 10.949 5.193 1.00 1.00 H new ATOM 884 N CYS A 60 71.535 8.919 6.022 1.00 1.00 N ATOM 885 CA CYS A 60 71.861 7.768 6.910 1.00 1.00 C ATOM 886 C CYS A 60 73.352 7.804 7.257 1.00 1.00 C ATOM 887 O CYS A 60 74.026 8.791 7.033 1.00 1.00 O ATOM 888 CB CYS A 60 71.524 6.458 6.189 1.00 1.00 C ATOM 889 SG CYS A 60 69.948 5.817 6.807 1.00 1.00 S ATOM 0 H CYS A 60 72.289 9.214 5.401 1.00 1.00 H new ATOM 0 HA CYS A 60 71.276 7.832 7.828 1.00 1.00 H new ATOM 0 HB2 CYS A 60 71.463 6.627 5.114 1.00 1.00 H new ATOM 0 HB3 CYS A 60 72.315 5.727 6.352 1.00 1.00 H new ATOM 894 N GLY A 61 73.872 6.738 7.805 1.00 1.00 N ATOM 895 CA GLY A 61 75.319 6.708 8.172 1.00 1.00 C ATOM 896 C GLY A 61 76.080 5.822 7.185 1.00 1.00 C ATOM 897 O GLY A 61 76.066 4.611 7.284 1.00 1.00 O ATOM 0 H GLY A 61 73.356 5.884 8.015 1.00 1.00 H new ATOM 0 HA2 GLY A 61 75.729 7.718 8.160 1.00 1.00 H new ATOM 0 HA3 GLY A 61 75.440 6.327 9.186 1.00 1.00 H new ATOM 901 N THR A 62 76.745 6.416 6.233 1.00 1.00 N ATOM 902 CA THR A 62 77.506 5.607 5.240 1.00 1.00 C ATOM 903 C THR A 62 78.238 6.542 4.277 1.00 1.00 C ATOM 904 O THR A 62 78.281 6.314 3.085 1.00 1.00 O ATOM 905 CB THR A 62 76.539 4.718 4.456 1.00 1.00 C ATOM 906 OG1 THR A 62 77.164 4.284 3.257 1.00 1.00 O ATOM 907 CG2 THR A 62 75.275 5.510 4.118 1.00 1.00 C ATOM 0 H THR A 62 76.794 7.426 6.100 1.00 1.00 H new ATOM 0 HA THR A 62 78.231 4.981 5.760 1.00 1.00 H new ATOM 0 HB THR A 62 76.270 3.851 5.060 1.00 1.00 H new ATOM 0 HG1 THR A 62 77.324 5.055 2.674 1.00 1.00 H new ATOM 0 HG21 THR A 62 74.587 4.876 3.559 1.00 1.00 H new ATOM 0 HG22 THR A 62 74.796 5.842 5.039 1.00 1.00 H new ATOM 0 HG23 THR A 62 75.540 6.378 3.514 1.00 1.00 H new ATOM 915 N ASP A 63 78.817 7.594 4.785 1.00 1.00 N ATOM 916 CA ASP A 63 79.548 8.543 3.900 1.00 1.00 C ATOM 917 C ASP A 63 80.824 7.879 3.386 1.00 1.00 C ATOM 918 O ASP A 63 81.917 8.349 3.629 1.00 1.00 O ATOM 919 CB ASP A 63 79.919 9.797 4.695 1.00 1.00 C ATOM 920 CG ASP A 63 80.571 9.389 6.018 1.00 1.00 C ATOM 921 OD1 ASP A 63 79.981 8.588 6.724 1.00 1.00 O ATOM 922 OD2 ASP A 63 81.649 9.885 6.302 1.00 1.00 O ATOM 0 H ASP A 63 78.816 7.838 5.775 1.00 1.00 H new ATOM 0 HA ASP A 63 78.912 8.817 3.058 1.00 1.00 H new ATOM 0 HB2 ASP A 63 80.603 10.418 4.117 1.00 1.00 H new ATOM 0 HB3 ASP A 63 79.029 10.396 4.886 1.00 1.00 H new ATOM 927 N ILE A 64 80.701 6.786 2.683 1.00 1.00 N ATOM 928 CA ILE A 64 81.914 6.104 2.170 1.00 1.00 C ATOM 929 C ILE A 64 82.889 5.880 3.318 1.00 1.00 C ATOM 930 O ILE A 64 83.826 6.628 3.509 1.00 1.00 O ATOM 931 CB ILE A 64 82.581 6.959 1.092 1.00 1.00 C ATOM 932 CG1 ILE A 64 81.632 7.106 -0.100 1.00 1.00 C ATOM 933 CG2 ILE A 64 83.875 6.284 0.632 1.00 1.00 C ATOM 934 CD1 ILE A 64 80.510 8.082 0.258 1.00 1.00 C ATOM 0 H ILE A 64 79.815 6.340 2.445 1.00 1.00 H new ATOM 0 HA ILE A 64 81.630 5.145 1.736 1.00 1.00 H new ATOM 0 HB ILE A 64 82.810 7.944 1.500 1.00 1.00 H new ATOM 0 HG12 ILE A 64 82.179 7.467 -0.971 1.00 1.00 H new ATOM 0 HG13 ILE A 64 81.213 6.136 -0.367 1.00 1.00 H new ATOM 0 HG21 ILE A 64 84.350 6.894 -0.136 1.00 1.00 H new ATOM 0 HG22 ILE A 64 84.551 6.177 1.480 1.00 1.00 H new ATOM 0 HG23 ILE A 64 83.647 5.299 0.224 1.00 1.00 H new ATOM 0 HD11 ILE A 64 79.834 8.187 -0.591 1.00 1.00 H new ATOM 0 HD12 ILE A 64 79.957 7.702 1.117 1.00 1.00 H new ATOM 0 HD13 ILE A 64 80.938 9.054 0.503 1.00 1.00 H new ATOM 946 N THR A 65 82.684 4.842 4.074 1.00 1.00 N ATOM 947 CA THR A 65 83.612 4.553 5.195 1.00 1.00 C ATOM 948 C THR A 65 84.913 4.050 4.588 1.00 1.00 C ATOM 949 O THR A 65 85.480 3.065 5.018 1.00 1.00 O ATOM 950 CB THR A 65 83.014 3.477 6.105 1.00 1.00 C ATOM 951 OG1 THR A 65 81.811 3.963 6.682 1.00 1.00 O ATOM 952 CG2 THR A 65 84.011 3.131 7.213 1.00 1.00 C ATOM 0 HA THR A 65 83.784 5.448 5.793 1.00 1.00 H new ATOM 0 HB THR A 65 82.801 2.583 5.520 1.00 1.00 H new ATOM 0 HG21 THR A 65 83.584 2.365 7.860 1.00 1.00 H new ATOM 0 HG22 THR A 65 84.934 2.758 6.769 1.00 1.00 H new ATOM 0 HG23 THR A 65 84.226 4.024 7.800 1.00 1.00 H new ATOM 960 N VAL A 66 85.373 4.720 3.571 1.00 1.00 N ATOM 961 CA VAL A 66 86.624 4.299 2.895 1.00 1.00 C ATOM 962 C VAL A 66 86.358 3.003 2.124 1.00 1.00 C ATOM 963 O VAL A 66 87.109 2.630 1.245 1.00 1.00 O ATOM 964 CB VAL A 66 87.729 4.080 3.940 1.00 1.00 C ATOM 965 CG1 VAL A 66 89.097 4.296 3.291 1.00 1.00 C ATOM 966 CG2 VAL A 66 87.548 5.076 5.088 1.00 1.00 C ATOM 0 H VAL A 66 84.929 5.550 3.177 1.00 1.00 H new ATOM 0 HA VAL A 66 86.951 5.073 2.201 1.00 1.00 H new ATOM 0 HB VAL A 66 87.667 3.062 4.326 1.00 1.00 H new ATOM 0 HG11 VAL A 66 89.880 4.141 4.033 1.00 1.00 H new ATOM 0 HG12 VAL A 66 89.227 3.588 2.472 1.00 1.00 H new ATOM 0 HG13 VAL A 66 89.160 5.313 2.905 1.00 1.00 H new ATOM 0 HG21 VAL A 66 88.331 4.922 5.830 1.00 1.00 H new ATOM 0 HG22 VAL A 66 87.610 6.093 4.701 1.00 1.00 H new ATOM 0 HG23 VAL A 66 86.573 4.923 5.552 1.00 1.00 H new ATOM 976 N ILE A 67 85.289 2.312 2.445 1.00 1.00 N ATOM 977 CA ILE A 67 84.975 1.040 1.724 1.00 1.00 C ATOM 978 C ILE A 67 83.477 0.958 1.397 1.00 1.00 C ATOM 979 O ILE A 67 82.657 0.747 2.268 1.00 1.00 O ATOM 980 CB ILE A 67 85.356 -0.163 2.602 1.00 1.00 C ATOM 981 CG1 ILE A 67 86.867 -0.391 2.523 1.00 1.00 C ATOM 982 CG2 ILE A 67 84.627 -1.412 2.103 1.00 1.00 C ATOM 983 CD1 ILE A 67 87.575 0.526 3.522 1.00 1.00 C ATOM 0 HA ILE A 67 85.547 1.024 0.796 1.00 1.00 H new ATOM 0 HB ILE A 67 85.070 0.036 3.635 1.00 1.00 H new ATOM 0 HG12 ILE A 67 87.100 -1.433 2.742 1.00 1.00 H new ATOM 0 HG13 ILE A 67 87.223 -0.190 1.513 1.00 1.00 H new ATOM 0 HG21 ILE A 67 84.898 -2.265 2.726 1.00 1.00 H new ATOM 0 HG22 ILE A 67 83.550 -1.251 2.157 1.00 1.00 H new ATOM 0 HG23 ILE A 67 84.913 -1.612 1.070 1.00 1.00 H new ATOM 0 HD11 ILE A 67 88.651 0.363 3.466 1.00 1.00 H new ATOM 0 HD12 ILE A 67 87.352 1.566 3.283 1.00 1.00 H new ATOM 0 HD13 ILE A 67 87.227 0.303 4.531 1.00 1.00 H new ATOM 995 N CYS A 68 83.120 1.072 0.143 1.00 1.00 N ATOM 996 CA CYS A 68 81.685 0.945 -0.250 1.00 1.00 C ATOM 997 C CYS A 68 81.549 -0.258 -1.193 1.00 1.00 C ATOM 998 O CYS A 68 82.521 -0.708 -1.767 1.00 1.00 O ATOM 999 CB CYS A 68 81.226 2.227 -0.957 1.00 1.00 C ATOM 1000 SG CYS A 68 80.671 3.430 0.276 1.00 1.00 S ATOM 0 H CYS A 68 83.764 1.248 -0.628 1.00 1.00 H new ATOM 0 HA CYS A 68 81.062 0.797 0.632 1.00 1.00 H new ATOM 0 HB2 CYS A 68 82.044 2.644 -1.545 1.00 1.00 H new ATOM 0 HB3 CYS A 68 80.417 2.002 -1.652 1.00 1.00 H new ATOM 1005 N PRO A 69 80.368 -0.807 -1.341 1.00 1.00 N ATOM 1006 CA PRO A 69 80.147 -2.001 -2.211 1.00 1.00 C ATOM 1007 C PRO A 69 80.847 -1.888 -3.566 1.00 1.00 C ATOM 1008 O PRO A 69 81.312 -2.865 -4.117 1.00 1.00 O ATOM 1009 CB PRO A 69 78.630 -2.044 -2.384 1.00 1.00 C ATOM 1010 CG PRO A 69 78.090 -1.413 -1.143 1.00 1.00 C ATOM 1011 CD PRO A 69 79.117 -0.364 -0.703 1.00 1.00 C ATOM 0 HA PRO A 69 80.562 -2.905 -1.765 1.00 1.00 H new ATOM 0 HB2 PRO A 69 78.317 -1.498 -3.274 1.00 1.00 H new ATOM 0 HB3 PRO A 69 78.273 -3.068 -2.496 1.00 1.00 H new ATOM 0 HG2 PRO A 69 77.121 -0.951 -1.333 1.00 1.00 H new ATOM 0 HG3 PRO A 69 77.940 -2.159 -0.363 1.00 1.00 H new ATOM 0 HD2 PRO A 69 78.833 0.636 -1.031 1.00 1.00 H new ATOM 0 HD3 PRO A 69 79.212 -0.328 0.382 1.00 1.00 H new ATOM 1019 N TRP A 70 80.924 -0.709 -4.108 1.00 1.00 N ATOM 1020 CA TRP A 70 81.594 -0.546 -5.425 1.00 1.00 C ATOM 1021 C TRP A 70 83.111 -0.494 -5.231 1.00 1.00 C ATOM 1022 O TRP A 70 83.807 0.201 -5.944 1.00 1.00 O ATOM 1023 CB TRP A 70 81.120 0.755 -6.079 1.00 1.00 C ATOM 1024 CG TRP A 70 79.734 0.572 -6.608 1.00 1.00 C ATOM 1025 CD1 TRP A 70 79.351 -0.402 -7.465 1.00 1.00 C ATOM 1026 CD2 TRP A 70 78.542 1.365 -6.331 1.00 1.00 C ATOM 1027 NE1 TRP A 70 78.002 -0.259 -7.732 1.00 1.00 N ATOM 1028 CE2 TRP A 70 77.458 0.815 -7.057 1.00 1.00 C ATOM 1029 CE3 TRP A 70 78.298 2.494 -5.530 1.00 1.00 C ATOM 1030 CZ2 TRP A 70 76.177 1.369 -6.990 1.00 1.00 C ATOM 1031 CZ3 TRP A 70 77.013 3.052 -5.459 1.00 1.00 C ATOM 1032 CH2 TRP A 70 75.955 2.492 -6.187 1.00 1.00 C ATOM 0 H TRP A 70 80.553 0.148 -3.698 1.00 1.00 H new ATOM 0 HA TRP A 70 81.341 -1.392 -6.065 1.00 1.00 H new ATOM 0 HB2 TRP A 70 81.139 1.567 -5.353 1.00 1.00 H new ATOM 0 HB3 TRP A 70 81.795 1.035 -6.888 1.00 1.00 H new ATOM 0 HD1 TRP A 70 79.994 -1.167 -7.874 1.00 1.00 H new ATOM 0 HE1 TRP A 70 77.473 -0.872 -8.352 1.00 1.00 H new ATOM 0 HE3 TRP A 70 79.106 2.935 -4.965 1.00 1.00 H new ATOM 0 HZ2 TRP A 70 75.365 0.934 -7.554 1.00 1.00 H new ATOM 0 HZ3 TRP A 70 76.838 3.919 -4.839 1.00 1.00 H new ATOM 0 HH2 TRP A 70 74.968 2.927 -6.128 1.00 1.00 H new ATOM 1043 N GLU A 71 83.639 -1.213 -4.271 1.00 1.00 N ATOM 1044 CA GLU A 71 85.116 -1.175 -4.056 1.00 1.00 C ATOM 1045 C GLU A 71 85.613 -2.504 -3.474 1.00 1.00 C ATOM 1046 O GLU A 71 86.204 -3.311 -4.162 1.00 1.00 O ATOM 1047 CB GLU A 71 85.462 -0.042 -3.080 1.00 1.00 C ATOM 1048 CG GLU A 71 85.362 1.306 -3.797 1.00 1.00 C ATOM 1049 CD GLU A 71 83.912 1.793 -3.769 1.00 1.00 C ATOM 1050 OE1 GLU A 71 83.097 1.131 -3.148 1.00 1.00 O ATOM 1051 OE2 GLU A 71 83.641 2.821 -4.368 1.00 1.00 O ATOM 0 H GLU A 71 83.118 -1.817 -3.635 1.00 1.00 H new ATOM 0 HA GLU A 71 85.601 -1.005 -5.017 1.00 1.00 H new ATOM 0 HB2 GLU A 71 84.782 -0.063 -2.228 1.00 1.00 H new ATOM 0 HB3 GLU A 71 86.469 -0.182 -2.688 1.00 1.00 H new ATOM 0 HG2 GLU A 71 86.011 2.036 -3.314 1.00 1.00 H new ATOM 0 HG3 GLU A 71 85.704 1.208 -4.827 1.00 1.00 H new ATOM 1058 N ALA A 72 85.406 -2.718 -2.202 1.00 1.00 N ATOM 1059 CA ALA A 72 85.895 -3.972 -1.551 1.00 1.00 C ATOM 1060 C ALA A 72 85.324 -5.221 -2.229 1.00 1.00 C ATOM 1061 O ALA A 72 85.203 -5.296 -3.435 1.00 1.00 O ATOM 1062 CB ALA A 72 85.480 -3.967 -0.082 1.00 1.00 C ATOM 0 H ALA A 72 84.916 -2.075 -1.581 1.00 1.00 H new ATOM 0 HA ALA A 72 86.981 -4.002 -1.645 1.00 1.00 H new ATOM 0 HB1 ALA A 72 85.833 -4.879 0.399 1.00 1.00 H new ATOM 0 HB2 ALA A 72 85.916 -3.101 0.416 1.00 1.00 H new ATOM 0 HB3 ALA A 72 84.393 -3.917 -0.011 1.00 1.00 H new ATOM 1068 N CYS A 73 84.997 -6.212 -1.442 1.00 1.00 N ATOM 1069 CA CYS A 73 84.456 -7.484 -1.997 1.00 1.00 C ATOM 1070 C CYS A 73 83.325 -7.181 -2.983 1.00 1.00 C ATOM 1071 O CYS A 73 82.178 -7.038 -2.609 1.00 1.00 O ATOM 1072 CB CYS A 73 83.927 -8.358 -0.850 1.00 1.00 C ATOM 1073 SG CYS A 73 84.441 -7.650 0.734 1.00 1.00 S ATOM 0 H CYS A 73 85.084 -6.192 -0.426 1.00 1.00 H new ATOM 0 HA CYS A 73 85.250 -8.016 -2.521 1.00 1.00 H new ATOM 0 HB2 CYS A 73 82.840 -8.420 -0.897 1.00 1.00 H new ATOM 0 HB3 CYS A 73 84.309 -9.374 -0.947 1.00 1.00 H new ATOM 1078 N ASN A 74 83.640 -7.086 -4.244 1.00 1.00 N ATOM 1079 CA ASN A 74 82.585 -6.796 -5.254 1.00 1.00 C ATOM 1080 C ASN A 74 81.780 -8.069 -5.532 1.00 1.00 C ATOM 1081 O ASN A 74 80.567 -8.046 -5.576 1.00 1.00 O ATOM 1082 CB ASN A 74 83.235 -6.300 -6.547 1.00 1.00 C ATOM 1083 CG ASN A 74 84.043 -7.433 -7.182 1.00 1.00 C ATOM 1084 OD1 ASN A 74 84.962 -7.952 -6.579 1.00 1.00 O ATOM 1085 ND2 ASN A 74 83.738 -7.842 -8.383 1.00 1.00 N ATOM 0 H ASN A 74 84.582 -7.197 -4.619 1.00 1.00 H new ATOM 0 HA ASN A 74 81.917 -6.025 -4.871 1.00 1.00 H new ATOM 0 HB2 ASN A 74 82.469 -5.952 -7.241 1.00 1.00 H new ATOM 0 HB3 ASN A 74 83.884 -5.450 -6.337 1.00 1.00 H new ATOM 0 HD21 ASN A 74 84.271 -8.597 -8.815 1.00 1.00 H new ATOM 0 HD22 ASN A 74 82.967 -7.407 -8.889 1.00 1.00 H new ATOM 1092 N HIS A 75 82.440 -9.182 -5.718 1.00 1.00 N ATOM 1093 CA HIS A 75 81.695 -10.446 -5.989 1.00 1.00 C ATOM 1094 C HIS A 75 81.120 -10.986 -4.672 1.00 1.00 C ATOM 1095 O HIS A 75 80.071 -10.566 -4.231 1.00 1.00 O ATOM 1096 CB HIS A 75 82.640 -11.481 -6.627 1.00 1.00 C ATOM 1097 CG HIS A 75 82.248 -11.696 -8.063 1.00 1.00 C ATOM 1098 ND1 HIS A 75 81.715 -12.895 -8.512 1.00 1.00 N ATOM 1099 CD2 HIS A 75 82.304 -10.874 -9.163 1.00 1.00 C ATOM 1100 CE1 HIS A 75 81.474 -12.766 -9.829 1.00 1.00 C ATOM 1101 NE2 HIS A 75 81.815 -11.555 -10.274 1.00 1.00 N ATOM 0 H HIS A 75 83.456 -9.270 -5.694 1.00 1.00 H new ATOM 0 HA HIS A 75 80.877 -10.250 -6.682 1.00 1.00 H new ATOM 0 HB2 HIS A 75 83.671 -11.133 -6.568 1.00 1.00 H new ATOM 0 HB3 HIS A 75 82.589 -12.422 -6.080 1.00 1.00 H new ATOM 0 HD2 HIS A 75 82.670 -9.858 -9.165 1.00 1.00 H new ATOM 0 HE1 HIS A 75 81.056 -13.545 -10.449 1.00 1.00 H new ATOM 0 HE2 HIS A 75 81.734 -11.203 -11.228 1.00 1.00 H new ATOM 1110 N CYS A 76 81.796 -11.912 -4.043 1.00 1.00 N ATOM 1111 CA CYS A 76 81.282 -12.477 -2.763 1.00 1.00 C ATOM 1112 C CYS A 76 79.986 -13.247 -3.034 1.00 1.00 C ATOM 1113 O CYS A 76 79.828 -14.381 -2.627 1.00 1.00 O ATOM 1114 CB CYS A 76 81.019 -11.337 -1.768 1.00 1.00 C ATOM 1115 SG CYS A 76 79.239 -11.177 -1.484 1.00 1.00 S ATOM 0 H CYS A 76 82.683 -12.301 -4.362 1.00 1.00 H new ATOM 0 HA CYS A 76 82.021 -13.156 -2.337 1.00 1.00 H new ATOM 0 HB2 CYS A 76 81.531 -11.537 -0.827 1.00 1.00 H new ATOM 0 HB3 CYS A 76 81.421 -10.401 -2.157 1.00 1.00 H new ATOM 1120 N GLU A 77 79.057 -12.636 -3.719 1.00 1.00 N ATOM 1121 CA GLU A 77 77.770 -13.321 -4.018 1.00 1.00 C ATOM 1122 C GLU A 77 78.046 -14.686 -4.655 1.00 1.00 C ATOM 1123 O GLU A 77 78.359 -15.642 -3.976 1.00 1.00 O ATOM 1124 CB GLU A 77 76.949 -12.456 -4.979 1.00 1.00 C ATOM 1125 CG GLU A 77 75.562 -13.074 -5.168 1.00 1.00 C ATOM 1126 CD GLU A 77 74.790 -13.008 -3.849 1.00 1.00 C ATOM 1127 OE1 GLU A 77 74.244 -11.957 -3.556 1.00 1.00 O ATOM 1128 OE2 GLU A 77 74.757 -14.010 -3.153 1.00 1.00 O ATOM 0 H GLU A 77 79.136 -11.687 -4.085 1.00 1.00 H new ATOM 0 HA GLU A 77 77.212 -13.468 -3.094 1.00 1.00 H new ATOM 0 HB2 GLU A 77 76.857 -11.444 -4.585 1.00 1.00 H new ATOM 0 HB3 GLU A 77 77.458 -12.379 -5.940 1.00 1.00 H new ATOM 0 HG2 GLU A 77 75.018 -12.541 -5.947 1.00 1.00 H new ATOM 0 HG3 GLU A 77 75.655 -14.109 -5.496 1.00 1.00 H new ATOM 1135 N LEU A 78 77.924 -14.785 -5.953 1.00 1.00 N ATOM 1136 CA LEU A 78 78.171 -16.090 -6.631 1.00 1.00 C ATOM 1137 C LEU A 78 77.021 -17.046 -6.308 1.00 1.00 C ATOM 1138 O LEU A 78 77.232 -18.184 -5.940 1.00 1.00 O ATOM 1139 CB LEU A 78 79.494 -16.691 -6.135 1.00 1.00 C ATOM 1140 CG LEU A 78 80.069 -17.621 -7.205 1.00 1.00 C ATOM 1141 CD1 LEU A 78 80.914 -16.810 -8.188 1.00 1.00 C ATOM 1142 CD2 LEU A 78 80.945 -18.684 -6.537 1.00 1.00 C ATOM 0 H LEU A 78 77.664 -14.018 -6.572 1.00 1.00 H new ATOM 0 HA LEU A 78 78.232 -15.936 -7.708 1.00 1.00 H new ATOM 0 HB2 LEU A 78 80.205 -15.896 -5.910 1.00 1.00 H new ATOM 0 HB3 LEU A 78 79.330 -17.243 -5.209 1.00 1.00 H new ATOM 0 HG LEU A 78 79.253 -18.105 -7.742 1.00 1.00 H new ATOM 0 HD11 LEU A 78 81.323 -17.474 -8.950 1.00 1.00 H new ATOM 0 HD12 LEU A 78 80.292 -16.052 -8.663 1.00 1.00 H new ATOM 0 HD13 LEU A 78 81.730 -16.326 -7.652 1.00 1.00 H new ATOM 0 HD21 LEU A 78 81.356 -19.348 -7.298 1.00 1.00 H new ATOM 0 HD22 LEU A 78 81.760 -18.199 -6.000 1.00 1.00 H new ATOM 0 HD23 LEU A 78 80.344 -19.263 -5.836 1.00 1.00 H new ATOM 1154 N HIS A 79 75.804 -16.589 -6.435 1.00 1.00 N ATOM 1155 CA HIS A 79 74.645 -17.471 -6.126 1.00 1.00 C ATOM 1156 C HIS A 79 73.358 -16.844 -6.669 1.00 1.00 C ATOM 1157 O HIS A 79 72.635 -17.454 -7.432 1.00 1.00 O ATOM 1158 CB HIS A 79 74.530 -17.634 -4.609 1.00 1.00 C ATOM 1159 CG HIS A 79 73.534 -18.716 -4.294 1.00 1.00 C ATOM 1160 ND1 HIS A 79 72.477 -18.515 -3.418 1.00 1.00 N ATOM 1161 CD2 HIS A 79 73.419 -20.014 -4.730 1.00 1.00 C ATOM 1162 CE1 HIS A 79 71.778 -19.662 -3.354 1.00 1.00 C ATOM 1163 NE2 HIS A 79 72.310 -20.606 -4.133 1.00 1.00 N ATOM 0 H HIS A 79 75.564 -15.645 -6.739 1.00 1.00 H new ATOM 0 HA HIS A 79 74.794 -18.445 -6.593 1.00 1.00 H new ATOM 0 HB2 HIS A 79 75.502 -17.885 -4.185 1.00 1.00 H new ATOM 0 HB3 HIS A 79 74.217 -16.694 -4.154 1.00 1.00 H new ATOM 0 HD2 HIS A 79 74.086 -20.499 -5.428 1.00 1.00 H new ATOM 0 HE1 HIS A 79 70.895 -19.802 -2.747 1.00 1.00 H new ATOM 0 HE2 HIS A 79 71.974 -21.560 -4.263 1.00 1.00 H new ATOM 1172 N GLU A 80 73.059 -15.634 -6.274 1.00 1.00 N ATOM 1173 CA GLU A 80 71.813 -14.971 -6.755 1.00 1.00 C ATOM 1174 C GLU A 80 72.135 -14.060 -7.949 1.00 1.00 C ATOM 1175 O GLU A 80 72.554 -14.520 -8.993 1.00 1.00 O ATOM 1176 CB GLU A 80 71.214 -14.152 -5.605 1.00 1.00 C ATOM 1177 CG GLU A 80 69.713 -13.965 -5.834 1.00 1.00 C ATOM 1178 CD GLU A 80 68.958 -15.181 -5.294 1.00 1.00 C ATOM 1179 OE1 GLU A 80 69.592 -16.202 -5.085 1.00 1.00 O ATOM 1180 OE2 GLU A 80 67.759 -15.071 -5.100 1.00 1.00 O ATOM 0 H GLU A 80 73.627 -15.075 -5.637 1.00 1.00 H new ATOM 0 HA GLU A 80 71.093 -15.722 -7.080 1.00 1.00 H new ATOM 0 HB2 GLU A 80 71.387 -14.659 -4.656 1.00 1.00 H new ATOM 0 HB3 GLU A 80 71.706 -13.181 -5.542 1.00 1.00 H new ATOM 0 HG2 GLU A 80 69.369 -13.059 -5.335 1.00 1.00 H new ATOM 0 HG3 GLU A 80 69.510 -13.840 -6.898 1.00 1.00 H new ATOM 1187 N LEU A 81 71.940 -12.775 -7.810 1.00 1.00 N ATOM 1188 CA LEU A 81 72.230 -11.844 -8.941 1.00 1.00 C ATOM 1189 C LEU A 81 73.733 -11.833 -9.232 1.00 1.00 C ATOM 1190 O LEU A 81 74.262 -10.877 -9.764 1.00 1.00 O ATOM 1191 CB LEU A 81 71.781 -10.428 -8.566 1.00 1.00 C ATOM 1192 CG LEU A 81 70.263 -10.314 -8.717 1.00 1.00 C ATOM 1193 CD1 LEU A 81 69.891 -10.375 -10.200 1.00 1.00 C ATOM 1194 CD2 LEU A 81 69.590 -11.471 -7.975 1.00 1.00 C ATOM 0 H LEU A 81 71.592 -12.329 -6.961 1.00 1.00 H new ATOM 0 HA LEU A 81 71.691 -12.180 -9.827 1.00 1.00 H new ATOM 0 HB2 LEU A 81 72.072 -10.203 -7.540 1.00 1.00 H new ATOM 0 HB3 LEU A 81 72.276 -9.697 -9.206 1.00 1.00 H new ATOM 0 HG LEU A 81 69.926 -9.366 -8.297 1.00 1.00 H new ATOM 0 HD11 LEU A 81 68.809 -10.294 -10.307 1.00 1.00 H new ATOM 0 HD12 LEU A 81 70.371 -9.552 -10.730 1.00 1.00 H new ATOM 0 HD13 LEU A 81 70.227 -11.323 -10.621 1.00 1.00 H new ATOM 0 HD21 LEU A 81 68.508 -11.391 -8.082 1.00 1.00 H new ATOM 0 HD22 LEU A 81 69.927 -12.418 -8.396 1.00 1.00 H new ATOM 0 HD23 LEU A 81 69.855 -11.429 -6.918 1.00 1.00 H new ATOM 1206 N ALA A 82 74.424 -12.882 -8.890 1.00 1.00 N ATOM 1207 CA ALA A 82 75.889 -12.924 -9.150 1.00 1.00 C ATOM 1208 C ALA A 82 76.163 -12.538 -10.604 1.00 1.00 C ATOM 1209 O ALA A 82 75.602 -13.100 -11.524 1.00 1.00 O ATOM 1210 CB ALA A 82 76.409 -14.337 -8.890 1.00 1.00 C ATOM 0 H ALA A 82 74.038 -13.713 -8.441 1.00 1.00 H new ATOM 0 HA ALA A 82 76.396 -12.221 -8.489 1.00 1.00 H new ATOM 0 HB1 ALA A 82 77.482 -14.371 -9.080 1.00 1.00 H new ATOM 0 HB2 ALA A 82 76.215 -14.611 -7.853 1.00 1.00 H new ATOM 0 HB3 ALA A 82 75.901 -15.039 -9.552 1.00 1.00 H new ATOM 1216 N GLN A 83 77.024 -11.580 -10.816 1.00 1.00 N ATOM 1217 CA GLN A 83 77.344 -11.149 -12.208 1.00 1.00 C ATOM 1218 C GLN A 83 78.645 -10.344 -12.194 1.00 1.00 C ATOM 1219 O GLN A 83 79.640 -10.739 -12.770 1.00 1.00 O ATOM 1220 CB GLN A 83 76.207 -10.279 -12.747 1.00 1.00 C ATOM 1221 CG GLN A 83 76.351 -10.133 -14.263 1.00 1.00 C ATOM 1222 CD GLN A 83 76.004 -11.460 -14.940 1.00 1.00 C ATOM 1223 OE1 GLN A 83 74.887 -11.928 -14.850 1.00 1.00 O ATOM 1224 NE2 GLN A 83 76.923 -12.092 -15.618 1.00 1.00 N ATOM 0 H GLN A 83 77.522 -11.075 -10.083 1.00 1.00 H new ATOM 0 HA GLN A 83 77.461 -12.024 -12.848 1.00 1.00 H new ATOM 0 HB2 GLN A 83 75.244 -10.729 -12.504 1.00 1.00 H new ATOM 0 HB3 GLN A 83 76.229 -9.298 -12.273 1.00 1.00 H new ATOM 0 HG2 GLN A 83 75.693 -9.344 -14.627 1.00 1.00 H new ATOM 0 HG3 GLN A 83 77.370 -9.840 -14.515 1.00 1.00 H new ATOM 0 HE21 GLN A 83 77.861 -11.699 -15.694 1.00 1.00 H new ATOM 0 HE22 GLN A 83 76.703 -12.978 -16.072 1.00 1.00 H new ATOM 1233 N TYR A 84 78.645 -9.224 -11.527 1.00 1.00 N ATOM 1234 CA TYR A 84 79.877 -8.389 -11.450 1.00 1.00 C ATOM 1235 C TYR A 84 79.900 -7.685 -10.093 1.00 1.00 C ATOM 1236 O TYR A 84 80.670 -6.774 -9.866 1.00 1.00 O ATOM 1237 CB TYR A 84 79.872 -7.344 -12.571 1.00 1.00 C ATOM 1238 CG TYR A 84 80.454 -7.950 -13.826 1.00 1.00 C ATOM 1239 CD1 TYR A 84 81.808 -8.303 -13.870 1.00 1.00 C ATOM 1240 CD2 TYR A 84 79.639 -8.157 -14.945 1.00 1.00 C ATOM 1241 CE1 TYR A 84 82.347 -8.865 -15.034 1.00 1.00 C ATOM 1242 CE2 TYR A 84 80.178 -8.719 -16.109 1.00 1.00 C ATOM 1243 CZ TYR A 84 81.532 -9.073 -16.153 1.00 1.00 C ATOM 1244 OH TYR A 84 82.064 -9.626 -17.300 1.00 1.00 O ATOM 0 H TYR A 84 77.839 -8.848 -11.028 1.00 1.00 H new ATOM 0 HA TYR A 84 80.759 -9.019 -11.563 1.00 1.00 H new ATOM 0 HB2 TYR A 84 78.855 -7.001 -12.758 1.00 1.00 H new ATOM 0 HB3 TYR A 84 80.453 -6.472 -12.272 1.00 1.00 H new ATOM 0 HD1 TYR A 84 82.437 -8.142 -13.007 1.00 1.00 H new ATOM 0 HD2 TYR A 84 78.595 -7.883 -14.911 1.00 1.00 H new ATOM 0 HE1 TYR A 84 83.391 -9.138 -15.068 1.00 1.00 H new ATOM 0 HE2 TYR A 84 79.549 -8.879 -16.973 1.00 1.00 H new ATOM 0 HH TYR A 84 81.364 -9.703 -17.981 1.00 1.00 H new ATOM 1254 N GLY A 85 79.055 -8.104 -9.189 1.00 1.00 N ATOM 1255 CA GLY A 85 79.021 -7.465 -7.844 1.00 1.00 C ATOM 1256 C GLY A 85 77.947 -6.376 -7.818 1.00 1.00 C ATOM 1257 O GLY A 85 78.155 -5.302 -7.291 1.00 1.00 O ATOM 0 H GLY A 85 78.387 -8.862 -9.325 1.00 1.00 H new ATOM 0 HA2 GLY A 85 78.812 -8.214 -7.080 1.00 1.00 H new ATOM 0 HA3 GLY A 85 79.995 -7.035 -7.610 1.00 1.00 H new ATOM 1261 N ILE A 86 76.797 -6.642 -8.378 1.00 1.00 N ATOM 1262 CA ILE A 86 75.719 -5.613 -8.369 1.00 1.00 C ATOM 1263 C ILE A 86 75.539 -5.100 -6.942 1.00 1.00 C ATOM 1264 O ILE A 86 75.154 -3.970 -6.718 1.00 1.00 O ATOM 1265 CB ILE A 86 74.408 -6.231 -8.862 1.00 1.00 C ATOM 1266 CG1 ILE A 86 73.296 -5.181 -8.801 1.00 1.00 C ATOM 1267 CG2 ILE A 86 74.036 -7.418 -7.972 1.00 1.00 C ATOM 1268 CD1 ILE A 86 72.068 -5.693 -9.556 1.00 1.00 C ATOM 0 H ILE A 86 76.559 -7.521 -8.838 1.00 1.00 H new ATOM 0 HA ILE A 86 75.992 -4.789 -9.028 1.00 1.00 H new ATOM 0 HB ILE A 86 74.531 -6.573 -9.890 1.00 1.00 H new ATOM 0 HG12 ILE A 86 73.036 -4.971 -7.763 1.00 1.00 H new ATOM 0 HG13 ILE A 86 73.641 -4.245 -9.239 1.00 1.00 H new ATOM 0 HG21 ILE A 86 73.103 -7.858 -8.323 1.00 1.00 H new ATOM 0 HG22 ILE A 86 74.828 -8.166 -8.013 1.00 1.00 H new ATOM 0 HG23 ILE A 86 73.912 -7.077 -6.944 1.00 1.00 H new ATOM 0 HD11 ILE A 86 71.276 -4.945 -9.512 1.00 1.00 H new ATOM 0 HD12 ILE A 86 72.333 -5.881 -10.597 1.00 1.00 H new ATOM 0 HD13 ILE A 86 71.719 -6.618 -9.098 1.00 1.00 H new ATOM 1280 N CYS A 87 75.815 -5.928 -5.974 1.00 1.00 N ATOM 1281 CA CYS A 87 75.663 -5.499 -4.556 1.00 1.00 C ATOM 1282 C CYS A 87 76.895 -4.699 -4.128 1.00 1.00 C ATOM 1283 CB CYS A 87 75.516 -6.734 -3.667 1.00 1.00 C ATOM 1284 SG CYS A 87 73.799 -7.304 -3.708 1.00 1.00 S ATOM 0 H CYS A 87 76.140 -6.886 -6.104 1.00 1.00 H new ATOM 0 HA CYS A 87 74.776 -4.873 -4.457 1.00 1.00 H new ATOM 0 HB2 CYS A 87 76.182 -7.525 -4.012 1.00 1.00 H new ATOM 0 HB3 CYS A 87 75.807 -6.496 -2.644 1.00 1.00 H new TER 1289 CYS A 87 HETATM 1290 C1C RCY A 110 59.005 -6.705 1.103 1.00 1.00 C HETATM 1291 O1G RCY A 110 60.136 -4.676 3.035 1.00 1.00 O HETATM 1292 O1H RCY A 110 55.840 -6.003 4.478 1.00 1.00 O HETATM 1293 O1J RCY A 110 56.752 -8.653 1.549 1.00 1.00 O HETATM 1294 C1L RCY A 110 59.236 -5.361 5.205 1.00 1.00 C HETATM 1295 C1M RCY A 110 55.806 -4.939 1.689 1.00 1.00 C HETATM 1296 C1P RCY A 110 59.167 -5.018 3.711 1.00 1.00 C HETATM 1297 C1Q RCY A 110 56.953 -5.482 4.427 1.00 1.00 C HETATM 1298 N1R RCY A 110 57.746 -5.154 3.168 1.00 1.00 N HETATM 1299 C1S RCY A 110 57.793 -5.044 5.613 1.00 1.00 C HETATM 1300 C1U RCY A 110 57.239 -5.003 1.732 1.00 1.00 C HETATM 1301 C1V RCY A 110 57.331 -5.914 -0.629 1.00 1.00 C HETATM 1302 N1V RCY A 110 56.567 -7.215 1.370 1.00 1.00 N HETATM 1303 C1W RCY A 110 55.314 -6.391 1.661 1.00 1.00 C HETATM 1304 C1X RCY A 110 57.581 -6.204 0.853 1.00 1.00 C HETATM 1305 C1Y RCY A 110 54.276 -6.587 0.553 1.00 1.00 C HETATM 1306 C1Z RCY A 110 54.742 -6.811 3.015 1.00 1.00 C HETATM 0 H1ZB RCY A 110 55.514 -6.722 3.780 1.00 1.00 H new HETATM 0 H1ZA RCY A 110 53.902 -6.166 3.271 1.00 1.00 H new HETATM 0 H1YB RCY A 110 53.425 -5.930 0.731 1.00 1.00 H new HETATM 0 H1YA RCY A 110 54.724 -6.348 -0.412 1.00 1.00 H new HETATM 0 H1VB RCY A 110 58.027 -5.149 -0.973 1.00 1.00 H new HETATM 0 H1VA RCY A 110 57.479 -6.826 -1.208 1.00 1.00 H new HETATM 0 H1MA RCY A 110 55.414 -4.412 2.558 1.00 1.00 H new HETATM 0 H1LA RCY A 110 59.501 -6.403 5.382 1.00 1.00 H new HETATM 0 H1CB RCY A 110 59.715 -5.908 0.883 1.00 1.00 H new HETATM 0 H1CA RCY A 110 59.107 -7.005 2.146 1.00 1.00 H new HETATM 0 H1Z RCY A 110 54.402 -7.845 2.961 1.00 1.00 H new HETATM 0 H1Y RCY A 110 53.939 -7.624 0.549 1.00 1.00 H new HETATM 0 H1V RCY A 110 56.309 -5.561 -0.763 1.00 1.00 H new HETATM 0 H1U RCY A 110 57.719 -4.093 1.372 1.00 1.00 H new HETATM 0 H1S RCY A 110 57.664 -3.981 5.819 1.00 1.00 H new HETATM 0 H1M RCY A 110 55.467 -4.396 0.807 1.00 1.00 H new HETATM 0 H1L RCY A 110 59.965 -4.752 5.740 1.00 1.00 H new HETATM 0 H1C RCY A 110 59.208 -7.560 0.458 1.00 1.00 H new HETATM 1309 C1C RCY A 121 58.660 2.015 -0.403 1.00 1.00 C HETATM 1310 O1G RCY A 121 62.363 1.795 -2.510 1.00 1.00 O HETATM 1311 O1H RCY A 121 60.923 5.980 -0.863 1.00 1.00 O HETATM 1312 O1J RCY A 121 58.448 1.788 2.593 1.00 1.00 O HETATM 1313 C1L RCY A 121 62.360 4.054 -3.450 1.00 1.00 C HETATM 1314 C1M RCY A 121 61.588 3.544 1.265 1.00 1.00 C HETATM 1315 C1P RCY A 121 62.067 2.983 -2.392 1.00 1.00 C HETATM 1316 C1Q RCY A 121 61.146 5.021 -1.601 1.00 1.00 C HETATM 1317 N1R RCY A 121 61.362 3.575 -1.173 1.00 1.00 N HETATM 1318 C1S RCY A 121 61.257 5.063 -3.114 1.00 1.00 C HETATM 1319 C1U RCY A 121 60.969 2.900 0.143 1.00 1.00 C HETATM 1320 C1V RCY A 121 58.962 4.436 0.289 1.00 1.00 C HETATM 1321 N1V RCY A 121 59.458 2.585 1.902 1.00 1.00 N HETATM 1322 C1W RCY A 121 60.734 3.187 2.488 1.00 1.00 C HETATM 1323 C1X RCY A 121 59.474 3.002 0.438 1.00 1.00 C HETATM 1324 C1Y RCY A 121 60.409 4.441 3.303 1.00 1.00 C HETATM 1325 C1Z RCY A 121 61.425 2.140 3.362 1.00 1.00 C HETATM 0 H1ZB RCY A 121 61.593 1.234 2.780 1.00 1.00 H new HETATM 0 H1ZA RCY A 121 62.382 2.530 3.710 1.00 1.00 H new HETATM 0 H1YB RCY A 121 61.335 4.904 3.643 1.00 1.00 H new HETATM 0 H1YA RCY A 121 59.857 5.146 2.681 1.00 1.00 H new HETATM 0 H1VB RCY A 121 59.031 4.740 -0.755 1.00 1.00 H new HETATM 0 H1VA RCY A 121 57.923 4.487 0.614 1.00 1.00 H new HETATM 0 H1MA RCY A 121 62.614 3.201 1.393 1.00 1.00 H new HETATM 0 H1LA RCY A 121 63.359 4.478 -3.349 1.00 1.00 H new HETATM 0 H1CB RCY A 121 58.815 2.225 -1.461 1.00 1.00 H new HETATM 0 H1CA RCY A 121 58.983 0.997 -0.184 1.00 1.00 H new HETATM 0 H1Z RCY A 121 60.794 1.909 4.220 1.00 1.00 H new HETATM 0 H1Y RCY A 121 59.803 4.167 4.166 1.00 1.00 H new HETATM 0 H1V RCY A 121 59.567 5.104 0.902 1.00 1.00 H new HETATM 0 H1U RCY A 121 61.284 1.864 0.018 1.00 1.00 H new HETATM 0 H1S RCY A 121 60.314 4.792 -3.588 1.00 1.00 H new HETATM 0 H1M RCY A 121 61.629 4.624 1.120 1.00 1.00 H new HETATM 0 H1L RCY A 121 62.278 3.670 -4.467 1.00 1.00 H new HETATM 0 H1C RCY A 121 57.602 2.119 -0.163 1.00 1.00 H new HETATM 1328 C1C RCY A 130 76.123 8.477 -9.979 1.00 1.00 C HETATM 1329 O1G RCY A 130 78.671 4.273 -10.571 1.00 1.00 O HETATM 1330 O1H RCY A 130 79.782 8.841 -11.015 1.00 1.00 O HETATM 1331 O1J RCY A 130 75.749 9.172 -7.073 1.00 1.00 O HETATM 1332 C1L RCY A 130 80.045 5.515 -12.170 1.00 1.00 C HETATM 1333 C1M RCY A 130 78.795 6.991 -7.895 1.00 1.00 C HETATM 1334 C1P RCY A 130 79.106 5.353 -10.968 1.00 1.00 C HETATM 1335 C1Q RCY A 130 79.469 7.679 -11.266 1.00 1.00 C HETATM 1336 N1R RCY A 130 78.777 6.700 -10.326 1.00 1.00 N HETATM 1337 C1S RCY A 130 79.703 6.952 -12.578 1.00 1.00 C HETATM 1338 C1U RCY A 130 77.965 7.000 -9.065 1.00 1.00 C HETATM 1339 C1V RCY A 130 78.388 9.470 -9.424 1.00 1.00 C HETATM 1340 N1V RCY A 130 76.941 8.523 -7.613 1.00 1.00 N HETATM 1341 C1W RCY A 130 78.052 7.817 -6.837 1.00 1.00 C HETATM 1342 C1X RCY A 130 77.353 8.400 -9.073 1.00 1.00 C HETATM 1343 C1Y RCY A 130 78.991 8.842 -6.195 1.00 1.00 C HETATM 1344 C1Z RCY A 130 77.425 6.919 -5.771 1.00 1.00 C HETATM 0 H1ZB RCY A 130 76.715 6.238 -6.241 1.00 1.00 H new HETATM 0 H1ZA RCY A 130 78.206 6.343 -5.275 1.00 1.00 H new HETATM 0 H1YB RCY A 130 79.823 8.324 -5.718 1.00 1.00 H new HETATM 0 H1YA RCY A 130 79.374 9.515 -6.962 1.00 1.00 H new HETATM 0 H1VB RCY A 130 78.715 9.336 -10.455 1.00 1.00 H new HETATM 0 H1VA RCY A 130 77.942 10.458 -9.311 1.00 1.00 H new HETATM 0 H1CB RCY A 130 76.407 8.222 -11.000 1.00 1.00 H new HETATM 0 H1CA RCY A 130 75.367 7.775 -9.627 1.00 1.00 H new HETATM 0 H1Z RCY A 130 76.906 7.534 -5.036 1.00 1.00 H new HETATM 0 H1Y RCY A 130 78.445 9.418 -5.448 1.00 1.00 H new HETATM 0 H1V RCY A 130 79.245 9.380 -8.757 1.00 1.00 H new HETATM 0 H1S RCY A 130 78.817 6.984 -13.212 1.00 1.00 H new HETATM 0 H1M RCY A 130 79.773 7.421 -8.108 1.00 1.00 H new HETATM 0 H1L RCY A 130 79.837 4.796 -12.962 1.00 1.00 H new HETATM 0 H1C RCY A 130 75.718 9.489 -9.957 1.00 1.00 H new HETATM 1347 C1C RCY A 138 87.583 -0.279 1.770 1.00 1.00 C HETATM 1348 O1G RCY A 138 86.828 0.152 6.462 1.00 1.00 O HETATM 1349 O1H RCY A 138 85.653 -3.124 3.271 1.00 1.00 O HETATM 1350 O1J RCY A 138 86.874 2.518 0.911 1.00 1.00 O HETATM 1351 C1L RCY A 138 86.775 -2.294 6.514 1.00 1.00 C HETATM 1352 C1M RCY A 138 85.137 1.252 4.086 1.00 1.00 C HETATM 1353 C1P RCY A 138 86.571 -0.907 5.892 1.00 1.00 C HETATM 1354 C1Q RCY A 138 85.778 -2.503 4.325 1.00 1.00 C HETATM 1355 N1R RCY A 138 86.007 -1.004 4.475 1.00 1.00 N HETATM 1356 C1S RCY A 138 85.734 -3.093 5.722 1.00 1.00 C HETATM 1357 C1U RCY A 138 85.739 0.109 3.460 1.00 1.00 C HETATM 1358 C1V RCY A 138 88.062 1.017 3.896 1.00 1.00 C HETATM 1359 N1V RCY A 138 86.476 1.929 2.185 1.00 1.00 N HETATM 1360 C1W RCY A 138 85.423 2.444 3.165 1.00 1.00 C HETATM 1361 C1X RCY A 138 87.018 0.663 2.835 1.00 1.00 C HETATM 1362 C1Y RCY A 138 85.972 3.626 3.968 1.00 1.00 C HETATM 1363 C1Z RCY A 138 84.174 2.856 2.386 1.00 1.00 C HETATM 0 H1YA RCY A 138 86.898 3.332 4.462 1.00 1.00 H new HETATM 0 H1VB RCY A 138 88.401 0.107 4.391 1.00 1.00 H new HETATM 0 H1VA RCY A 138 88.911 1.509 3.421 1.00 1.00 H new HETATM 0 H1LA RCY A 138 87.788 -2.671 6.371 1.00 1.00 H new HETATM 0 H1Z RCY A 138 84.410 3.703 1.742 1.00 1.00 H new HETATM 0 H1V RCY A 138 87.619 1.687 4.633 1.00 1.00 H new HETATM 0 H1S RCY A 138 84.741 -2.996 6.162 1.00 1.00 H new HETATM 0 H1L RCY A 138 86.580 -2.303 7.586 1.00 1.00 H new HETATM 0 H1C RCY A 138 88.492 0.151 1.350 1.00 1.00 H new HETATM 1366 C1C RCY A 150 84.273 1.770 4.748 1.00 1.00 C HETATM 1367 O1G RCY A 150 82.653 1.019 5.649 1.00 1.00 O HETATM 1368 O1H RCY A 150 80.791 5.221 6.733 1.00 1.00 O HETATM 1369 O1J RCY A 150 82.883 2.605 2.211 1.00 1.00 O HETATM 1370 C1L RCY A 150 80.516 1.702 6.625 1.00 1.00 C HETATM 1371 C1M RCY A 150 83.256 5.325 4.889 1.00 1.00 C HETATM 1372 C1P RCY A 150 81.925 1.921 6.060 1.00 1.00 C HETATM 1373 C1Q RCY A 150 81.118 4.036 6.771 1.00 1.00 C HETATM 1374 N1R RCY A 150 82.312 3.399 6.070 1.00 1.00 N HETATM 1375 C1S RCY A 150 80.402 2.934 7.530 1.00 1.00 C HETATM 1376 C1U RCY A 150 83.569 4.076 5.521 1.00 1.00 C HETATM 1377 C1V RCY A 150 85.641 3.801 4.092 1.00 1.00 C HETATM 1378 N1V RCY A 150 83.294 3.532 3.262 1.00 1.00 N HETATM 1379 C1W RCY A 150 82.864 4.986 3.445 1.00 1.00 C HETATM 1380 C1X RCY A 150 84.246 3.264 4.419 1.00 1.00 C HETATM 1381 C1Y RCY A 150 83.607 5.892 2.459 1.00 1.00 C HETATM 1382 C1Z RCY A 150 81.353 5.091 3.240 1.00 1.00 C HETATM 0 H1ZB RCY A 150 80.846 4.396 3.909 1.00 1.00 H new HETATM 0 H1YA RCY A 150 84.682 5.752 2.575 1.00 1.00 H new HETATM 0 H1LA RCY A 150 79.753 1.683 5.847 1.00 1.00 H new HETATM 0 H1CA RCY A 150 83.253 1.404 4.864 1.00 1.00 H new HETATM 0 H1S RCY A 150 80.865 2.757 8.501 1.00 1.00 H new HETATM 0 H1L RCY A 150 80.429 0.767 7.179 1.00 1.00 H new HETATM 1385 C1C RCY A 160 71.055 11.151 5.097 1.00 1.00 C HETATM 1386 O1G RCY A 160 68.335 9.747 9.697 1.00 1.00 O HETATM 1387 O1H RCY A 160 70.776 8.535 5.840 1.00 1.00 O HETATM 1388 O1J RCY A 160 71.656 14.026 5.761 1.00 1.00 O HETATM 1389 C1L RCY A 160 68.995 7.594 8.740 1.00 1.00 C HETATM 1390 C1M RCY A 160 69.777 12.045 8.453 1.00 1.00 C HETATM 1391 C1P RCY A 160 68.882 9.123 8.789 1.00 1.00 C HETATM 1392 C1Q RCY A 160 69.937 8.563 6.739 1.00 1.00 C HETATM 1393 N1R RCY A 160 69.533 9.774 7.570 1.00 1.00 N HETATM 1394 C1S RCY A 160 69.108 7.388 7.226 1.00 1.00 C HETATM 1395 C1U RCY A 160 69.733 11.258 7.254 1.00 1.00 C HETATM 1396 C1V RCY A 160 72.239 10.897 7.325 1.00 1.00 C HETATM 1397 N1V RCY A 160 71.129 13.059 6.719 1.00 1.00 N HETATM 1398 C1W RCY A 160 70.511 13.341 8.087 1.00 1.00 C HETATM 1399 C1X RCY A 160 71.072 11.544 6.576 1.00 1.00 C HETATM 1400 C1Y RCY A 160 71.604 13.650 9.114 1.00 1.00 C HETATM 1401 C1Z RCY A 160 69.539 14.514 7.965 1.00 1.00 C HETATM 0 H1ZB RCY A 160 68.806 14.300 7.187 1.00 1.00 H new HETATM 0 H1ZA RCY A 160 69.027 14.663 8.916 1.00 1.00 H new HETATM 0 H1YB RCY A 160 71.154 13.766 10.100 1.00 1.00 H new HETATM 0 H1YA RCY A 160 72.324 12.832 9.137 1.00 1.00 H new HETATM 0 H1VB RCY A 160 72.155 9.812 7.261 1.00 1.00 H new HETATM 0 H1VA RCY A 160 73.180 11.215 6.877 1.00 1.00 H new HETATM 0 H1MA RCY A 160 68.772 12.256 8.817 1.00 1.00 H new HETATM 0 H1LA RCY A 160 69.867 7.222 9.278 1.00 1.00 H new HETATM 0 H1Z RCY A 160 70.090 15.418 7.705 1.00 1.00 H new HETATM 0 H1Y RCY A 160 72.113 14.573 8.837 1.00 1.00 H new HETATM 0 H1V RCY A 160 72.214 11.202 8.371 1.00 1.00 H new HETATM 0 H1U RCY A 160 68.893 11.511 6.607 1.00 1.00 H new HETATM 0 H1S RCY A 160 68.126 7.373 6.754 1.00 1.00 H new HETATM 0 H1M RCY A 160 70.299 11.513 9.249 1.00 1.00 H new HETATM 0 H1L RCY A 160 68.123 7.097 9.165 1.00 1.00 H new HETATM 0 H1C RCY A 160 72.025 11.370 4.651 1.00 1.00 H new HETATM 1404 C1C RCY A 168 75.428 0.709 -0.429 1.00 1.00 C HETATM 1405 O1G RCY A 168 76.169 2.898 2.694 1.00 1.00 O HETATM 1406 O1H RCY A 168 78.244 3.752 -1.461 1.00 1.00 O HETATM 1407 O1J RCY A 168 74.008 0.893 2.221 1.00 1.00 O HETATM 1408 C1L RCY A 168 78.499 3.216 2.020 1.00 1.00 C HETATM 1409 C1M RCY A 168 74.379 4.184 0.288 1.00 1.00 C HETATM 1410 C1P RCY A 168 76.988 3.083 1.795 1.00 1.00 C HETATM 1411 C1Q RCY A 168 77.997 3.310 -0.340 1.00 1.00 C HETATM 1412 N1R RCY A 168 76.626 3.210 0.317 1.00 1.00 N HETATM 1413 C1S RCY A 168 79.010 2.761 0.649 1.00 1.00 C HETATM 1414 C1U RCY A 168 75.247 3.233 -0.345 1.00 1.00 C HETATM 1415 C1V RCY A 168 73.270 1.849 -1.114 1.00 1.00 C HETATM 1416 N1V RCY A 168 74.079 1.984 1.253 1.00 1.00 N HETATM 1417 C1W RCY A 168 73.745 3.457 1.480 1.00 1.00 C HETATM 1418 C1X RCY A 168 74.502 1.906 -0.208 1.00 1.00 C HETATM 1419 C1Y RCY A 168 72.228 3.666 1.492 1.00 1.00 C HETATM 1420 C1Z RCY A 168 74.363 3.912 2.802 1.00 1.00 C HETATM 0 H1ZB RCY A 168 75.432 3.700 2.796 1.00 1.00 H new HETATM 0 H1ZA RCY A 168 74.207 4.983 2.927 1.00 1.00 H new HETATM 0 H1YB RCY A 168 72.008 4.731 1.570 1.00 1.00 H new HETATM 0 H1YA RCY A 168 71.799 3.273 0.570 1.00 1.00 H new HETATM 0 H1VB RCY A 168 73.585 1.850 -2.157 1.00 1.00 H new HETATM 0 H1VA RCY A 168 72.707 0.939 -0.906 1.00 1.00 H new HETATM 0 H1MA RCY A 168 74.937 5.060 0.618 1.00 1.00 H new HETATM 0 H1LA RCY A 168 78.797 4.237 2.259 1.00 1.00 H new HETATM 0 H1CB RCY A 168 75.855 0.759 -1.431 1.00 1.00 H new HETATM 0 H1Z RCY A 168 73.892 3.378 3.627 1.00 1.00 H new HETATM 0 H1Y RCY A 168 71.795 3.143 2.345 1.00 1.00 H new HETATM 0 H1V RCY A 168 72.639 2.717 -0.925 1.00 1.00 H new HETATM 0 H1U RCY A 168 75.454 3.472 -1.388 1.00 1.00 H new HETATM 0 H1S RCY A 168 79.073 1.674 0.590 1.00 1.00 H new HETATM 0 H1M RCY A 168 73.615 4.535 -0.405 1.00 1.00 H new HETATM 0 H1L RCY A 168 78.858 2.582 2.831 1.00 1.00 H new HETATM 1423 C1C RCY A 173 78.748 -7.975 1.034 1.00 1.00 C HETATM 1424 O1G RCY A 173 84.242 -8.356 1.746 1.00 1.00 O HETATM 1425 O1H RCY A 173 82.612 -9.993 1.633 1.00 1.00 O HETATM 1426 O1J RCY A 173 77.790 -5.523 -0.427 1.00 1.00 O HETATM 1427 C1L RCY A 173 81.794 -8.689 1.501 1.00 1.00 C HETATM 1428 C1M RCY A 173 81.446 -5.461 0.727 1.00 1.00 C HETATM 1429 C1P RCY A 173 83.175 -8.141 1.208 1.00 1.00 C HETATM 1430 C1Q RCY A 173 82.361 -8.907 1.153 1.00 1.00 C HETATM 1431 N1R RCY A 173 81.839 -7.614 1.805 1.00 1.00 N HETATM 1432 C1S RCY A 173 82.817 -7.526 1.569 1.00 1.00 C HETATM 1433 C1U RCY A 173 80.820 -6.565 1.397 1.00 1.00 C HETATM 1434 C1V RCY A 173 80.493 -7.789 -0.796 1.00 1.00 C HETATM 1435 N1V RCY A 173 79.185 -5.776 -0.081 1.00 1.00 N HETATM 1436 C1W RCY A 173 80.347 -4.784 -0.100 1.00 1.00 C HETATM 1437 C1X RCY A 173 79.807 -7.087 0.378 1.00 1.00 C HETATM 1438 C1Y RCY A 173 80.824 -4.545 -1.536 1.00 1.00 C HETATM 1439 C1Z RCY A 173 79.896 -3.472 0.543 1.00 1.00 C HETATM 0 H1ZB RCY A 173 79.505 -3.671 1.541 1.00 1.00 H new HETATM 0 H1ZA RCY A 173 80.744 -2.791 0.615 1.00 1.00 H new HETATM 0 H1YB RCY A 173 81.704 -3.902 -1.525 1.00 1.00 H new HETATM 0 H1MA RCY A 173 81.878 -4.764 1.445 1.00 1.00 H new HETATM 0 H1CB RCY A 173 79.232 -8.831 1.505 1.00 1.00 H new HETATM 0 H1CA RCY A 173 78.210 -7.402 1.789 1.00 1.00 H new HETATM 0 H1Z RCY A 173 79.116 -3.017 -0.068 1.00 1.00 H new HETATM 0 H1Y RCY A 173 80.030 -4.064 -2.108 1.00 1.00 H new HETATM 0 H1V RCY A 173 81.237 -7.124 -1.233 1.00 1.00 H new HETATM 0 H1U RCY A 173 80.339 -6.280 2.333 1.00 1.00 H new HETATM 0 H1C RCY A 173 78.047 -8.326 0.276 1.00 1.00 H new HETATM 1442 C1C RCY A 176 81.660 -6.510 -2.120 1.00 1.00 C HETATM 1443 O1G RCY A 176 80.805 -8.220 2.415 1.00 1.00 O HETATM 1444 O1H RCY A 176 79.715 -8.296 -2.179 1.00 1.00 O HETATM 1445 O1J RCY A 176 78.929 -6.013 -3.286 1.00 1.00 O HETATM 1446 C1L RCY A 176 80.208 -10.017 0.865 1.00 1.00 C HETATM 1447 C1M RCY A 176 79.285 -5.366 0.477 1.00 1.00 C HETATM 1448 C1P RCY A 176 80.462 -8.563 1.285 1.00 1.00 C HETATM 1449 C1Q RCY A 176 79.725 -8.523 -0.970 1.00 1.00 C HETATM 1450 N1R RCY A 176 80.235 -7.595 0.125 1.00 1.00 N HETATM 1451 C1S RCY A 176 79.230 -9.788 -0.293 1.00 1.00 C HETATM 1452 C1U RCY A 176 80.458 -6.083 0.068 1.00 1.00 C HETATM 1453 C1V RCY A 176 81.230 -4.132 -1.351 1.00 1.00 C HETATM 1454 N1V RCY A 176 79.318 -5.643 -1.928 1.00 1.00 N HETATM 1455 C1W RCY A 176 78.405 -5.237 -0.773 1.00 1.00 C HETATM 1456 C1X RCY A 176 80.724 -5.576 -1.349 1.00 1.00 C HETATM 1457 C1Y RCY A 176 77.928 -3.793 -0.949 1.00 1.00 C HETATM 1458 C1Z RCY A 176 77.215 -6.194 -0.715 1.00 1.00 C HETATM 0 H1ZB RCY A 176 77.576 -7.220 -0.650 1.00 1.00 H new HETATM 0 H1YB RCY A 176 77.348 -3.493 -0.076 1.00 1.00 H new HETATM 0 H1YA RCY A 176 78.791 -3.135 -1.055 1.00 1.00 H new HETATM 0 H1VB RCY A 176 82.214 -4.091 -0.884 1.00 1.00 H new HETATM 0 H1VA RCY A 176 81.301 -3.773 -2.378 1.00 1.00 H new HETATM 0 H1MA RCY A 176 78.760 -5.899 1.270 1.00 1.00 H new HETATM 0 H1LA RCY A 176 81.119 -10.525 0.548 1.00 1.00 H new HETATM 0 H1Z RCY A 176 76.611 -6.078 -1.615 1.00 1.00 H new HETATM 0 H1Y RCY A 176 77.305 -3.722 -1.841 1.00 1.00 H new HETATM 0 H1S RCY A 176 78.209 -9.670 0.069 1.00 1.00 H new HETATM 0 H1L RCY A 176 79.773 -10.613 1.667 1.00 1.00 H new HETATM 1461 C1C RCY A 187 73.604 -1.847 -1.110 1.00 1.00 C HETATM 1462 O1G RCY A 187 72.233 -6.204 1.060 1.00 1.00 O HETATM 1463 O1H RCY A 187 75.110 -4.913 -2.454 1.00 1.00 O HETATM 1464 O1J RCY A 187 75.434 -0.302 0.715 1.00 1.00 O HETATM 1465 C1L RCY A 187 72.767 -7.190 -1.115 1.00 1.00 C HETATM 1466 C1M RCY A 187 75.294 -4.090 1.300 1.00 1.00 C HETATM 1467 C1P RCY A 187 72.840 -6.131 -0.007 1.00 1.00 C HETATM 1468 C1Q RCY A 187 74.143 -5.336 -1.823 1.00 1.00 C HETATM 1469 N1R RCY A 187 73.762 -4.975 -0.393 1.00 1.00 N HETATM 1470 C1S RCY A 187 73.104 -6.320 -2.331 1.00 1.00 C HETATM 1471 C1U RCY A 187 74.197 -3.764 0.434 1.00 1.00 C HETATM 1472 C1V RCY A 187 75.781 -3.107 -1.428 1.00 1.00 C HETATM 1473 N1V RCY A 187 75.387 -1.760 0.646 1.00 1.00 N HETATM 1474 C1W RCY A 187 75.984 -2.761 1.633 1.00 1.00 C HETATM 1475 C1X RCY A 187 74.732 -2.621 -0.426 1.00 1.00 C HETATM 1476 C1Y RCY A 187 77.497 -2.875 1.432 1.00 1.00 C HETATM 1477 C1Z RCY A 187 75.662 -2.311 3.059 1.00 1.00 C HETATM 0 H1ZB RCY A 187 74.585 -2.179 3.164 1.00 1.00 H new HETATM 0 H1ZA RCY A 187 76.006 -3.067 3.765 1.00 1.00 H new HETATM 0 H1YB RCY A 187 77.893 -3.652 2.086 1.00 1.00 H new HETATM 0 H1YA RCY A 187 77.708 -3.132 0.394 1.00 1.00 H new HETATM 0 H1VB RCY A 187 75.310 -3.765 -2.158 1.00 1.00 H new HETATM 0 H1VA RCY A 187 76.218 -2.251 -1.941 1.00 1.00 H new HETATM 0 H1MA RCY A 187 74.942 -4.584 2.206 1.00 1.00 H new HETATM 0 H1LA RCY A 187 73.484 -7.998 -0.968 1.00 1.00 H new HETATM 0 H1CB RCY A 187 73.037 -2.521 -1.752 1.00 1.00 H new HETATM 0 H1CA RCY A 187 72.942 -1.425 -0.354 1.00 1.00 H new HETATM 0 H1Z RCY A 187 76.165 -1.366 3.265 1.00 1.00 H new HETATM 0 H1Y RCY A 187 77.969 -1.922 1.673 1.00 1.00 H new HETATM 0 H1V RCY A 187 76.564 -3.652 -0.900 1.00 1.00 H new HETATM 0 H1U RCY A 187 73.298 -3.471 0.976 1.00 1.00 H new HETATM 0 H1S RCY A 187 72.220 -5.804 -2.707 1.00 1.00 H new HETATM 0 H1M RCY A 187 75.986 -4.776 0.811 1.00 1.00 H new HETATM 0 H1L RCY A 187 71.781 -7.648 -1.190 1.00 1.00 H new HETATM 0 H1C RCY A 187 74.027 -1.043 -1.712 1.00 1.00 H new