USER MOD reduce.3.24.130724 H: found=0, std=0, add=782, 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 11 ARGHH11 : A 11 ARG NH1 : A 110 RCY C1W :(H bumps) USER MOD NoAdj-H: A 22 THR H : A 22 THR N : A 121 RCY C1L :(H bumps) USER MOD NoAdj-H: A 77 GLU H : A 77 GLU N : A 176 RCY C1L :(H bumps) USER MOD NoAdj-H: A 110 RCYH1YB : A 110 RCY C1Y : A 11 ARG NH1 :(H bumps) USER MOD NoAdj-H: A 110 RCYH1YA : A 110 RCY C1Y : A 11 ARG NH1 :(H bumps) USER MOD NoAdj-H: A 110 RCYH1VA : A 110 RCY C1V : A 11 ARG NE :(H bumps) USER MOD NoAdj-H: A 110 RCYH1SA : A 110 RCY C1S : A 10 CYS SG :(H bumps) USER MOD NoAdj-H: A 110 RCY H1V : A 110 RCY C1V : A 11 ARG CZ :(H bumps) USER MOD NoAdj-H: A 110 RCY H1M : A 110 RCY C1M : A 11 ARG NH1 :(H bumps) USER MOD NoAdj-H: A 121 RCYH1SA : A 121 RCY C1S : A 21 CYS SG :(H bumps) USER MOD NoAdj-H: A 121 RCYH1LA : A 121 RCY C1L : A 21 CYS C :(H bumps) USER MOD NoAdj-H: A 121 RCY H1L : A 121 RCY C1L : A 22 THR N :(H bumps) USER MOD NoAdj-H: A 130 RCYH1YA : A 130 RCY C1Y : A 160 RCY C1C :(H bumps) USER MOD NoAdj-H: A 130 RCYH1SA : A 130 RCY C1S : A 30 CYS SG :(H bumps) USER MOD NoAdj-H: A 130 RCY H1Y : A 130 RCY C1Y : A 160 RCY C1C :(H bumps) USER MOD NoAdj-H: A 138 RCYH1YA : A 138 RCY C1Y : A 150 RCY C1Z :(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 C1Y :(H bumps) USER MOD NoAdj-H: A 138 RCY H1M : A 138 RCY C1M : A 150 RCY C1Y :(H bumps) USER MOD NoAdj-H: A 150 RCYH1YB : A 150 RCY C1Y : A 138 RCY C1M :(H bumps) USER MOD NoAdj-H: A 150 RCYH1SA : A 150 RCY C1S : A 50 CYS SG :(H bumps) USER MOD NoAdj-H: A 150 RCYH1CB : A 150 RCY C1C : A 87 CYS SG :(H bumps) USER MOD NoAdj-H: A 150 RCY H1Z : A 150 RCY C1Z : A 138 RCY C1Y :(H bumps) USER MOD NoAdj-H: A 160 RCYH1SA : A 160 RCY C1S : A 60 CYS SG :(H bumps) USER MOD NoAdj-H: A 160 RCYH1CB : A 160 RCY C1C : A 130 RCY C1Y :(H bumps) USER MOD NoAdj-H: A 160 RCYH1CA : A 160 RCY C1C : A 130 RCY C1Y :(H bumps) USER MOD NoAdj-H: A 160 RCY H1C : A 160 RCY C1C : A 130 RCY C1Y :(H bumps) USER MOD NoAdj-H: A 168 RCYH1SA : A 168 RCY C1S : A 68 CYS SG :(H bumps) USER MOD NoAdj-H: A 173 RCYH1YB : A 173 RCY C1Y : A 187 RCY C1C :(H bumps) USER MOD NoAdj-H: A 173 RCYH1YA : A 173 RCY C1Y : A 187 RCY C1C :(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 N1R :(H bumps) USER MOD NoAdj-H: A 173 RCYH1SA : A 173 RCY C1S : A 73 CYS SG :(H bumps) USER MOD NoAdj-H: A 173 RCYH1MA : A 173 RCY C1M : A 187 RCY C1W :(H bumps) USER MOD NoAdj-H: A 173 RCYH1CB : A 173 RCY C1C : A 76 CYS SG :(H bumps) USER MOD NoAdj-H: A 173 RCY H1Y : A 173 RCY C1Y : A 187 RCY C1C :(H bumps) USER MOD NoAdj-H: A 173 RCY H1V : A 173 RCY C1V : A 176 RCY N1R :(H bumps) USER MOD NoAdj-H: A 173 RCY H1C : A 173 RCY C1C : A 176 RCY C1Q :(H bumps) USER MOD NoAdj-H: A 176 RCYH1ZA : A 176 RCY C1Z : A 187 RCY C1U :(H bumps) USER MOD NoAdj-H: A 176 RCYH1SA : A 176 RCY C1S : A 76 CYS SG :(H bumps) USER MOD NoAdj-H: A 176 RCYH1MA : A 176 RCY C1M : A 173 RCY C1Y :(H bumps) USER MOD NoAdj-H: A 176 RCY H1Z : A 176 RCY C1Z : A 187 RCY N1R :(H bumps) USER MOD NoAdj-H: A 176 RCY H1L : A 176 RCY C1L : A 77 GLU CB :(H bumps) USER MOD NoAdj-H: A 187 RCYH1ZB : A 187 RCY C1Z : A 173 RCY C1M :(H bumps) USER MOD NoAdj-H: A 187 RCYH1ZA : A 187 RCY C1Z : A 69 PRO CB :(H bumps) USER MOD NoAdj-H: A 187 RCYH1SA : A 187 RCY C1S : A 87 CYS SG :(H bumps) USER MOD NoAdj-H: A 187 RCYH1CA : A 187 RCY C1C : A 173 RCY C1Y :(H bumps) USER MOD NoAdj-H: A 187 RCY H1Z : A 187 RCY C1Z : A 173 RCY C1M :(H bumps) USER MOD NoAdj-H: A 187 RCY H1U : A 187 RCY C1U : A 176 RCY C1Z :(H bumps) USER MOD NoAdj-H: A 187 RCY H1C : A 187 RCY C1C : A 173 RCY C1Y :(H bumps) USER MOD Set 1.1: A 62 THR OG1 : rot -103:sc= -3.68! USER MOD Set 1.2: A 65 THR OG1 : rot -140:sc= -4.29! USER MOD Single : A 1 MET CE :methyl 162:sc= -0.0968 (180deg=-1.06) USER MOD Single : A 1 MET N :NH3+ -176:sc= -0.173 (180deg=-0.218) USER MOD Single : A 2 ASN : amide:sc= -0.405 X(o=-0.41,f=-0.018) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= -0.0587 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl -149:sc= -3.98! (180deg=-8.96!) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ -161:sc= -0.142 (180deg=-0.844) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 GLN : amide:sc= -0.0511 K(o=-0.051,f=-2.1!) USER MOD Single : A 35 THR OG1 : rot 79:sc= 0.474 USER MOD Single : A 37 GLN : amide:sc= 0 K(o=0,f=-1.1!) USER MOD Single : A 39 LYS NZ :NH3+ 155:sc= -0.0285 (180deg=-0.365) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 147:sc= -0.298 (180deg=-1.29!) USER MOD Single : A 44 LYS NZ :NH3+ -158:sc= -0.0187 (180deg=-0.194) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= -3.22! C(o=-3.2!,f=-4.6!) USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN :FLIP amide:sc= -2.78 F(o=-4.7!,f=-2.8) USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 79 HIS :FLIP no HD1:sc= -4.8! C(o=-7.2!,f=-4.8!) USER MOD Single : A 83 GLN :FLIP amide:sc= -1.65 F(o=-3.9,f=-1.7) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 74.300 -8.005 22.104 1.00 1.00 N ATOM 2 CA MET A 1 73.281 -8.863 21.435 1.00 1.00 C ATOM 3 C MET A 1 71.934 -8.136 21.425 1.00 1.00 C ATOM 4 O MET A 1 71.008 -8.534 20.747 1.00 1.00 O ATOM 5 CB MET A 1 73.152 -10.186 22.200 1.00 1.00 C ATOM 6 CG MET A 1 71.903 -10.933 21.727 1.00 1.00 C ATOM 7 SD MET A 1 71.862 -10.954 19.918 1.00 1.00 S ATOM 8 CE MET A 1 73.398 -11.877 19.666 1.00 1.00 C ATOM 0 H1 MET A 1 75.231 -8.467 22.052 1.00 1.00 H new ATOM 0 H2 MET A 1 74.344 -7.082 21.627 1.00 1.00 H new ATOM 0 H3 MET A 1 74.037 -7.867 23.101 1.00 1.00 H new ATOM 0 HA MET A 1 73.587 -9.068 20.409 1.00 1.00 H new ATOM 0 HB2 MET A 1 74.038 -10.799 22.038 1.00 1.00 H new ATOM 0 HB3 MET A 1 73.089 -9.994 23.271 1.00 1.00 H new ATOM 0 HG2 MET A 1 71.908 -11.952 22.113 1.00 1.00 H new ATOM 0 HG3 MET A 1 71.007 -10.449 22.116 1.00 1.00 H new ATOM 0 HE1 MET A 1 73.417 -12.283 18.655 1.00 1.00 H new ATOM 0 HE2 MET A 1 74.250 -11.211 19.805 1.00 1.00 H new ATOM 0 HE3 MET A 1 73.454 -12.693 20.386 1.00 1.00 H new ATOM 17 N ASN A 2 71.818 -7.072 22.171 1.00 1.00 N ATOM 18 CA ASN A 2 70.532 -6.321 22.203 1.00 1.00 C ATOM 19 C ASN A 2 70.197 -5.824 20.795 1.00 1.00 C ATOM 20 O ASN A 2 69.931 -6.601 19.899 1.00 1.00 O ATOM 21 CB ASN A 2 70.664 -5.125 23.149 1.00 1.00 C ATOM 22 CG ASN A 2 71.065 -5.617 24.541 1.00 1.00 C ATOM 23 OD1 ASN A 2 71.906 -5.024 25.188 1.00 1.00 O ATOM 24 ND2 ASN A 2 70.496 -6.683 25.032 1.00 1.00 N ATOM 0 H ASN A 2 72.558 -6.690 22.760 1.00 1.00 H new ATOM 0 HA ASN A 2 69.736 -6.977 22.555 1.00 1.00 H new ATOM 0 HB2 ASN A 2 71.411 -4.428 22.769 1.00 1.00 H new ATOM 0 HB3 ASN A 2 69.720 -4.583 23.201 1.00 1.00 H new ATOM 0 HD21 ASN A 2 70.757 -7.019 25.959 1.00 1.00 H new ATOM 0 HD22 ASN A 2 69.790 -7.180 24.489 1.00 1.00 H new ATOM 31 N LEU A 3 70.206 -4.535 20.591 1.00 1.00 N ATOM 32 CA LEU A 3 69.888 -3.991 19.241 1.00 1.00 C ATOM 33 C LEU A 3 68.444 -4.352 18.878 1.00 1.00 C ATOM 34 O LEU A 3 68.141 -5.480 18.544 1.00 1.00 O ATOM 35 CB LEU A 3 70.853 -4.596 18.209 1.00 1.00 C ATOM 36 CG LEU A 3 71.255 -3.526 17.192 1.00 1.00 C ATOM 37 CD1 LEU A 3 72.395 -2.680 17.764 1.00 1.00 C ATOM 38 CD2 LEU A 3 71.722 -4.202 15.901 1.00 1.00 C ATOM 0 H LEU A 3 70.420 -3.835 21.301 1.00 1.00 H new ATOM 0 HA LEU A 3 69.998 -2.907 19.243 1.00 1.00 H new ATOM 0 HB2 LEU A 3 71.739 -4.987 18.710 1.00 1.00 H new ATOM 0 HB3 LEU A 3 70.378 -5.435 17.700 1.00 1.00 H new ATOM 0 HG LEU A 3 70.399 -2.886 16.980 1.00 1.00 H new ATOM 0 HD11 LEU A 3 72.681 -1.918 17.039 1.00 1.00 H new ATOM 0 HD12 LEU A 3 72.065 -2.199 18.685 1.00 1.00 H new ATOM 0 HD13 LEU A 3 73.252 -3.320 17.976 1.00 1.00 H new ATOM 0 HD21 LEU A 3 72.009 -3.441 15.175 1.00 1.00 H new ATOM 0 HD22 LEU A 3 72.579 -4.841 16.114 1.00 1.00 H new ATOM 0 HD23 LEU A 3 70.912 -4.806 15.493 1.00 1.00 H new ATOM 50 N GLU A 4 67.550 -3.402 18.943 1.00 1.00 N ATOM 51 CA GLU A 4 66.126 -3.689 18.605 1.00 1.00 C ATOM 52 C GLU A 4 65.892 -3.416 17.110 1.00 1.00 C ATOM 53 O GLU A 4 66.093 -2.312 16.645 1.00 1.00 O ATOM 54 CB GLU A 4 65.216 -2.778 19.436 1.00 1.00 C ATOM 55 CG GLU A 4 65.868 -1.402 19.586 1.00 1.00 C ATOM 56 CD GLU A 4 66.905 -1.448 20.710 1.00 1.00 C ATOM 57 OE1 GLU A 4 67.194 -2.537 21.179 1.00 1.00 O ATOM 58 OE2 GLU A 4 67.393 -0.394 21.082 1.00 1.00 O ATOM 0 H GLU A 4 67.745 -2.439 19.216 1.00 1.00 H new ATOM 0 HA GLU A 4 65.900 -4.732 18.825 1.00 1.00 H new ATOM 0 HB2 GLU A 4 64.243 -2.680 18.954 1.00 1.00 H new ATOM 0 HB3 GLU A 4 65.042 -3.218 20.418 1.00 1.00 H new ATOM 0 HG2 GLU A 4 66.344 -1.109 18.650 1.00 1.00 H new ATOM 0 HG3 GLU A 4 65.110 -0.651 19.807 1.00 1.00 H new ATOM 65 N PRO A 5 65.470 -4.407 16.357 1.00 1.00 N ATOM 66 CA PRO A 5 65.212 -4.241 14.897 1.00 1.00 C ATOM 67 C PRO A 5 64.451 -2.943 14.590 1.00 1.00 C ATOM 68 O PRO A 5 63.769 -2.404 15.439 1.00 1.00 O ATOM 69 CB PRO A 5 64.360 -5.463 14.545 1.00 1.00 C ATOM 70 CG PRO A 5 64.763 -6.511 15.530 1.00 1.00 C ATOM 71 CD PRO A 5 65.194 -5.781 16.807 1.00 1.00 C ATOM 0 HA PRO A 5 66.135 -4.173 14.321 1.00 1.00 H new ATOM 0 HB2 PRO A 5 63.296 -5.238 14.621 1.00 1.00 H new ATOM 0 HB3 PRO A 5 64.544 -5.791 13.522 1.00 1.00 H new ATOM 0 HG2 PRO A 5 63.934 -7.188 15.734 1.00 1.00 H new ATOM 0 HG3 PRO A 5 65.580 -7.116 15.137 1.00 1.00 H new ATOM 0 HD2 PRO A 5 64.409 -5.803 17.563 1.00 1.00 H new ATOM 0 HD3 PRO A 5 66.077 -6.241 17.251 1.00 1.00 H new ATOM 79 N PRO A 6 64.567 -2.447 13.384 1.00 1.00 N ATOM 80 CA PRO A 6 63.876 -1.192 12.963 1.00 1.00 C ATOM 81 C PRO A 6 62.365 -1.391 12.796 1.00 1.00 C ATOM 82 O PRO A 6 61.887 -2.499 12.655 1.00 1.00 O ATOM 83 CB PRO A 6 64.527 -0.854 11.618 1.00 1.00 C ATOM 84 CG PRO A 6 65.008 -2.161 11.080 1.00 1.00 C ATOM 85 CD PRO A 6 65.364 -3.027 12.291 1.00 1.00 C ATOM 0 HA PRO A 6 63.979 -0.402 13.706 1.00 1.00 H new ATOM 0 HB2 PRO A 6 63.812 -0.388 10.940 1.00 1.00 H new ATOM 0 HB3 PRO A 6 65.351 -0.152 11.744 1.00 1.00 H new ATOM 0 HG2 PRO A 6 64.237 -2.639 10.475 1.00 1.00 H new ATOM 0 HG3 PRO A 6 65.876 -2.019 10.436 1.00 1.00 H new ATOM 0 HD2 PRO A 6 65.110 -4.074 12.123 1.00 1.00 H new ATOM 0 HD3 PRO A 6 66.431 -2.989 12.510 1.00 1.00 H new ATOM 93 N LYS A 7 61.613 -0.325 12.811 1.00 1.00 N ATOM 94 CA LYS A 7 60.136 -0.450 12.653 1.00 1.00 C ATOM 95 C LYS A 7 59.804 -0.754 11.193 1.00 1.00 C ATOM 96 O LYS A 7 59.593 -1.888 10.814 1.00 1.00 O ATOM 97 CB LYS A 7 59.466 0.864 13.069 1.00 1.00 C ATOM 98 CG LYS A 7 59.318 0.903 14.591 1.00 1.00 C ATOM 99 CD LYS A 7 60.680 0.657 15.244 1.00 1.00 C ATOM 100 CE LYS A 7 60.603 1.002 16.732 1.00 1.00 C ATOM 101 NZ LYS A 7 61.776 0.416 17.439 1.00 1.00 N ATOM 0 H LYS A 7 61.958 0.628 12.926 1.00 1.00 H new ATOM 0 HA LYS A 7 59.769 -1.260 13.284 1.00 1.00 H new ATOM 0 HB2 LYS A 7 60.061 1.711 12.729 1.00 1.00 H new ATOM 0 HB3 LYS A 7 58.488 0.951 12.596 1.00 1.00 H new ATOM 0 HG2 LYS A 7 58.922 1.869 14.904 1.00 1.00 H new ATOM 0 HG3 LYS A 7 58.605 0.146 14.917 1.00 1.00 H new ATOM 0 HD2 LYS A 7 60.973 -0.385 15.116 1.00 1.00 H new ATOM 0 HD3 LYS A 7 61.443 1.265 14.758 1.00 1.00 H new ATOM 0 HE2 LYS A 7 60.588 2.084 16.865 1.00 1.00 H new ATOM 0 HE3 LYS A 7 59.677 0.615 17.158 1.00 1.00 H new ATOM 0 HZ1 LYS A 7 61.724 0.650 18.451 1.00 1.00 H new ATOM 0 HZ2 LYS A 7 61.771 -0.617 17.322 1.00 1.00 H new ATOM 0 HZ3 LYS A 7 62.653 0.805 17.038 1.00 1.00 H new ATOM 115 N ALA A 8 59.755 0.258 10.375 1.00 1.00 N ATOM 116 CA ALA A 8 59.435 0.050 8.932 1.00 1.00 C ATOM 117 C ALA A 8 57.931 -0.194 8.774 1.00 1.00 C ATOM 118 O ALA A 8 57.391 -0.114 7.688 1.00 1.00 O ATOM 119 CB ALA A 8 60.217 -1.155 8.396 1.00 1.00 C ATOM 0 H ALA A 8 59.924 1.228 10.643 1.00 1.00 H new ATOM 0 HA ALA A 8 59.718 0.937 8.366 1.00 1.00 H new ATOM 0 HB1 ALA A 8 59.980 -1.303 7.342 1.00 1.00 H new ATOM 0 HB2 ALA A 8 61.286 -0.973 8.506 1.00 1.00 H new ATOM 0 HB3 ALA A 8 59.941 -2.047 8.959 1.00 1.00 H new ATOM 125 N GLU A 9 57.253 -0.489 9.848 1.00 1.00 N ATOM 126 CA GLU A 9 55.785 -0.734 9.762 1.00 1.00 C ATOM 127 C GLU A 9 55.497 -1.764 8.666 1.00 1.00 C ATOM 128 O GLU A 9 55.547 -2.956 8.893 1.00 1.00 O ATOM 129 CB GLU A 9 55.068 0.576 9.428 1.00 1.00 C ATOM 130 CG GLU A 9 55.075 1.489 10.656 1.00 1.00 C ATOM 131 CD GLU A 9 54.507 2.858 10.277 1.00 1.00 C ATOM 132 OE1 GLU A 9 55.272 3.688 9.815 1.00 1.00 O ATOM 133 OE2 GLU A 9 53.316 3.053 10.456 1.00 1.00 O ATOM 0 H GLU A 9 57.652 -0.571 10.783 1.00 1.00 H new ATOM 0 HA GLU A 9 55.427 -1.114 10.719 1.00 1.00 H new ATOM 0 HB2 GLU A 9 55.562 1.070 8.591 1.00 1.00 H new ATOM 0 HB3 GLU A 9 54.043 0.373 9.118 1.00 1.00 H new ATOM 0 HG2 GLU A 9 54.481 1.046 11.455 1.00 1.00 H new ATOM 0 HG3 GLU A 9 56.091 1.597 11.036 1.00 1.00 H new ATOM 140 N CYS A 10 55.191 -1.310 7.480 1.00 1.00 N ATOM 141 CA CYS A 10 54.893 -2.256 6.366 1.00 1.00 C ATOM 142 C CYS A 10 55.470 -1.702 5.061 1.00 1.00 C ATOM 143 O CYS A 10 56.188 -0.722 5.055 1.00 1.00 O ATOM 144 CB CYS A 10 53.375 -2.418 6.230 1.00 1.00 C ATOM 145 SG CYS A 10 52.841 -3.890 7.139 1.00 1.00 S ATOM 0 H CYS A 10 55.134 -0.322 7.234 1.00 1.00 H new ATOM 0 HA CYS A 10 55.343 -3.226 6.578 1.00 1.00 H new ATOM 0 HB2 CYS A 10 52.868 -1.534 6.618 1.00 1.00 H new ATOM 0 HB3 CYS A 10 53.101 -2.507 5.179 1.00 1.00 H new ATOM 150 N ARG A 11 55.159 -2.320 3.954 1.00 1.00 N ATOM 151 CA ARG A 11 55.689 -1.827 2.651 1.00 1.00 C ATOM 152 C ARG A 11 55.211 -0.394 2.416 1.00 1.00 C ATOM 153 O ARG A 11 54.090 -0.161 2.008 1.00 1.00 O ATOM 154 CB ARG A 11 55.182 -2.724 1.521 1.00 1.00 C ATOM 155 CG ARG A 11 55.398 -4.191 1.897 1.00 1.00 C ATOM 156 CD ARG A 11 56.870 -4.418 2.245 1.00 1.00 C ATOM 157 NE ARG A 11 57.185 -5.871 2.149 1.00 1.00 N ATOM 158 CZ ARG A 11 58.227 -6.355 2.768 1.00 1.00 C ATOM 159 NH1 ARG A 11 58.993 -5.567 3.471 1.00 1.00 N ATOM 160 NH2 ARG A 11 58.503 -7.628 2.684 1.00 1.00 N ATOM 0 H ARG A 11 54.561 -3.144 3.896 1.00 1.00 H new ATOM 0 HA ARG A 11 56.779 -1.849 2.671 1.00 1.00 H new ATOM 0 HB2 ARG A 11 54.124 -2.536 1.340 1.00 1.00 H new ATOM 0 HB3 ARG A 11 55.709 -2.494 0.595 1.00 1.00 H new ATOM 0 HG2 ARG A 11 54.768 -4.456 2.746 1.00 1.00 H new ATOM 0 HG3 ARG A 11 55.106 -4.836 1.069 1.00 1.00 H new ATOM 0 HD2 ARG A 11 57.507 -3.851 1.566 1.00 1.00 H new ATOM 0 HD3 ARG A 11 57.077 -4.056 3.252 1.00 1.00 H new ATOM 0 HE ARG A 11 56.586 -6.487 1.600 1.00 1.00 H new ATOM 0 HH12 ARG A 11 59.807 -5.946 3.955 1.00 1.00 H new ATOM 0 HH21 ARG A 11 57.904 -8.244 2.135 1.00 1.00 H new ATOM 0 HH22 ARG A 11 59.317 -8.006 3.168 1.00 1.00 H new ATOM 174 N SER A 12 56.055 0.570 2.669 1.00 1.00 N ATOM 175 CA SER A 12 55.656 1.992 2.461 1.00 1.00 C ATOM 176 C SER A 12 56.194 2.479 1.113 1.00 1.00 C ATOM 177 O SER A 12 55.909 1.910 0.078 1.00 1.00 O ATOM 178 CB SER A 12 56.239 2.852 3.583 1.00 1.00 C ATOM 179 OG SER A 12 55.769 4.186 3.444 1.00 1.00 O ATOM 0 H SER A 12 57.006 0.434 3.012 1.00 1.00 H new ATOM 0 HA SER A 12 54.569 2.071 2.469 1.00 1.00 H new ATOM 0 HB2 SER A 12 55.947 2.451 4.554 1.00 1.00 H new ATOM 0 HB3 SER A 12 57.328 2.832 3.544 1.00 1.00 H new ATOM 0 HG SER A 12 56.139 4.740 4.163 1.00 1.00 H new ATOM 185 N ALA A 13 56.971 3.528 1.116 1.00 1.00 N ATOM 186 CA ALA A 13 57.526 4.049 -0.164 1.00 1.00 C ATOM 187 C ALA A 13 56.401 4.181 -1.193 1.00 1.00 C ATOM 188 O ALA A 13 55.289 4.546 -0.867 1.00 1.00 O ATOM 189 CB ALA A 13 58.588 3.082 -0.691 1.00 1.00 C ATOM 0 H ALA A 13 57.245 4.046 1.951 1.00 1.00 H new ATOM 0 HA ALA A 13 57.977 5.026 0.008 1.00 1.00 H new ATOM 0 HB1 ALA A 13 58.994 3.463 -1.628 1.00 1.00 H new ATOM 0 HB2 ALA A 13 59.390 2.988 0.041 1.00 1.00 H new ATOM 0 HB3 ALA A 13 58.137 2.104 -0.862 1.00 1.00 H new ATOM 195 N THR A 14 56.682 3.888 -2.435 1.00 1.00 N ATOM 196 CA THR A 14 55.631 3.998 -3.488 1.00 1.00 C ATOM 197 C THR A 14 55.006 2.622 -3.736 1.00 1.00 C ATOM 198 O THR A 14 53.843 2.402 -3.463 1.00 1.00 O ATOM 199 CB THR A 14 56.260 4.513 -4.784 1.00 1.00 C ATOM 200 OG1 THR A 14 57.073 5.642 -4.497 1.00 1.00 O ATOM 201 CG2 THR A 14 55.157 4.912 -5.766 1.00 1.00 C ATOM 0 H THR A 14 57.595 3.577 -2.766 1.00 1.00 H new ATOM 0 HA THR A 14 54.858 4.692 -3.157 1.00 1.00 H new ATOM 0 HB THR A 14 56.871 3.728 -5.229 1.00 1.00 H new ATOM 0 HG1 THR A 14 57.478 5.972 -5.326 1.00 1.00 H new ATOM 0 HG21 THR A 14 55.607 5.279 -6.689 1.00 1.00 H new ATOM 0 HG22 THR A 14 54.534 4.045 -5.985 1.00 1.00 H new ATOM 0 HG23 THR A 14 54.543 5.697 -5.324 1.00 1.00 H new ATOM 209 N ARG A 15 55.766 1.695 -4.254 1.00 1.00 N ATOM 210 CA ARG A 15 55.206 0.339 -4.520 1.00 1.00 C ATOM 211 C ARG A 15 56.347 -0.656 -4.753 1.00 1.00 C ATOM 212 O ARG A 15 56.904 -0.734 -5.830 1.00 1.00 O ATOM 213 CB ARG A 15 54.313 0.393 -5.765 1.00 1.00 C ATOM 214 CG ARG A 15 53.317 -0.768 -5.735 1.00 1.00 C ATOM 215 CD ARG A 15 52.019 -0.311 -5.068 1.00 1.00 C ATOM 216 NE ARG A 15 51.324 0.667 -5.953 1.00 1.00 N ATOM 217 CZ ARG A 15 50.753 0.260 -7.053 1.00 1.00 C ATOM 218 NH1 ARG A 15 50.791 -1.003 -7.380 1.00 1.00 N ATOM 219 NH2 ARG A 15 50.145 1.117 -7.828 1.00 1.00 N ATOM 0 H ARG A 15 56.747 1.817 -4.504 1.00 1.00 H new ATOM 0 HA ARG A 15 54.618 0.016 -3.661 1.00 1.00 H new ATOM 0 HB2 ARG A 15 53.779 1.342 -5.800 1.00 1.00 H new ATOM 0 HB3 ARG A 15 54.924 0.337 -6.666 1.00 1.00 H new ATOM 0 HG2 ARG A 15 53.115 -1.114 -6.749 1.00 1.00 H new ATOM 0 HG3 ARG A 15 53.741 -1.611 -5.189 1.00 1.00 H new ATOM 0 HD2 ARG A 15 51.374 -1.169 -4.878 1.00 1.00 H new ATOM 0 HD3 ARG A 15 52.235 0.146 -4.102 1.00 1.00 H new ATOM 0 HE ARG A 15 51.295 1.654 -5.698 1.00 1.00 H new ATOM 0 HH11 ARG A 15 51.267 -1.672 -6.775 1.00 1.00 H new ATOM 0 HH12 ARG A 15 50.344 -1.321 -8.240 1.00 1.00 H new ATOM 0 HH21 ARG A 15 50.117 2.104 -7.573 1.00 1.00 H new ATOM 0 HH22 ARG A 15 49.698 0.799 -8.688 1.00 1.00 H new ATOM 233 N VAL A 16 56.694 -1.421 -3.753 1.00 1.00 N ATOM 234 CA VAL A 16 57.794 -2.417 -3.915 1.00 1.00 C ATOM 235 C VAL A 16 58.976 -1.770 -4.645 1.00 1.00 C ATOM 236 O VAL A 16 59.540 -0.795 -4.189 1.00 1.00 O ATOM 237 CB VAL A 16 57.281 -3.612 -4.723 1.00 1.00 C ATOM 238 CG1 VAL A 16 58.261 -4.779 -4.589 1.00 1.00 C ATOM 239 CG2 VAL A 16 55.910 -4.035 -4.190 1.00 1.00 C ATOM 0 H VAL A 16 56.263 -1.400 -2.829 1.00 1.00 H new ATOM 0 HA VAL A 16 58.124 -2.756 -2.933 1.00 1.00 H new ATOM 0 HB VAL A 16 57.194 -3.330 -5.772 1.00 1.00 H new ATOM 0 HG11 VAL A 16 57.895 -5.629 -5.164 1.00 1.00 H new ATOM 0 HG12 VAL A 16 59.238 -4.479 -4.967 1.00 1.00 H new ATOM 0 HG13 VAL A 16 58.349 -5.062 -3.540 1.00 1.00 H new ATOM 0 HG21 VAL A 16 55.543 -4.886 -4.764 1.00 1.00 H new ATOM 0 HG22 VAL A 16 55.999 -4.316 -3.141 1.00 1.00 H new ATOM 0 HG23 VAL A 16 55.211 -3.204 -4.285 1.00 1.00 H new ATOM 249 N MET A 17 59.359 -2.306 -5.773 1.00 1.00 N ATOM 250 CA MET A 17 60.505 -1.724 -6.527 1.00 1.00 C ATOM 251 C MET A 17 60.096 -0.376 -7.125 1.00 1.00 C ATOM 252 O MET A 17 60.478 -0.032 -8.226 1.00 1.00 O ATOM 253 CB MET A 17 60.913 -2.680 -7.651 1.00 1.00 C ATOM 254 CG MET A 17 59.770 -2.800 -8.661 1.00 1.00 C ATOM 255 SD MET A 17 59.929 -4.358 -9.569 1.00 1.00 S ATOM 256 CE MET A 17 61.683 -4.199 -9.987 1.00 1.00 C ATOM 0 H MET A 17 58.927 -3.123 -6.205 1.00 1.00 H new ATOM 0 HA MET A 17 61.347 -1.577 -5.850 1.00 1.00 H new ATOM 0 HB2 MET A 17 61.812 -2.313 -8.146 1.00 1.00 H new ATOM 0 HB3 MET A 17 61.153 -3.660 -7.239 1.00 1.00 H new ATOM 0 HG2 MET A 17 58.810 -2.763 -8.146 1.00 1.00 H new ATOM 0 HG3 MET A 17 59.793 -1.959 -9.354 1.00 1.00 H new ATOM 0 HE1 MET A 17 61.876 -4.692 -10.940 1.00 1.00 H new ATOM 0 HE2 MET A 17 61.944 -3.144 -10.065 1.00 1.00 H new ATOM 0 HE3 MET A 17 62.286 -4.665 -9.208 1.00 1.00 H new ATOM 266 N GLY A 18 59.324 0.392 -6.406 1.00 1.00 N ATOM 267 CA GLY A 18 58.894 1.718 -6.932 1.00 1.00 C ATOM 268 C GLY A 18 58.334 1.556 -8.346 1.00 1.00 C ATOM 269 O GLY A 18 59.048 1.667 -9.323 1.00 1.00 O ATOM 0 H GLY A 18 58.973 0.158 -5.477 1.00 1.00 H new ATOM 0 HA2 GLY A 18 58.137 2.151 -6.278 1.00 1.00 H new ATOM 0 HA3 GLY A 18 59.738 2.407 -6.942 1.00 1.00 H new ATOM 273 N GLY A 19 57.060 1.297 -8.465 1.00 1.00 N ATOM 274 CA GLY A 19 56.453 1.131 -9.817 1.00 1.00 C ATOM 275 C GLY A 19 57.339 0.219 -10.670 1.00 1.00 C ATOM 276 O GLY A 19 58.197 -0.474 -10.162 1.00 1.00 O ATOM 0 H GLY A 19 56.413 1.193 -7.684 1.00 1.00 H new ATOM 0 HA2 GLY A 19 55.454 0.704 -9.728 1.00 1.00 H new ATOM 0 HA3 GLY A 19 56.343 2.102 -10.299 1.00 1.00 H new ATOM 280 N PRO A 20 57.128 0.223 -11.959 1.00 1.00 N ATOM 281 CA PRO A 20 57.918 -0.616 -12.908 1.00 1.00 C ATOM 282 C PRO A 20 59.426 -0.492 -12.668 1.00 1.00 C ATOM 283 O PRO A 20 59.872 0.292 -11.853 1.00 1.00 O ATOM 284 CB PRO A 20 57.540 -0.060 -14.284 1.00 1.00 C ATOM 285 CG PRO A 20 56.185 0.539 -14.104 1.00 1.00 C ATOM 286 CD PRO A 20 56.110 1.027 -12.656 1.00 1.00 C ATOM 0 HA PRO A 20 57.698 -1.678 -12.796 1.00 1.00 H new ATOM 0 HB2 PRO A 20 58.260 0.687 -14.618 1.00 1.00 H new ATOM 0 HB3 PRO A 20 57.526 -0.848 -15.037 1.00 1.00 H new ATOM 0 HG2 PRO A 20 56.031 1.364 -14.799 1.00 1.00 H new ATOM 0 HG3 PRO A 20 55.406 -0.197 -14.305 1.00 1.00 H new ATOM 0 HD2 PRO A 20 56.323 2.093 -12.582 1.00 1.00 H new ATOM 0 HD3 PRO A 20 55.118 0.870 -12.232 1.00 1.00 H new ATOM 294 N CYS A 21 60.216 -1.259 -13.370 1.00 1.00 N ATOM 295 CA CYS A 21 61.691 -1.179 -13.176 1.00 1.00 C ATOM 296 C CYS A 21 62.237 0.049 -13.907 1.00 1.00 C ATOM 297 O CYS A 21 62.487 0.015 -15.096 1.00 1.00 O ATOM 298 CB CYS A 21 62.351 -2.441 -13.736 1.00 1.00 C ATOM 299 SG CYS A 21 64.142 -2.197 -13.824 1.00 1.00 S ATOM 0 H CYS A 21 59.904 -1.935 -14.067 1.00 1.00 H new ATOM 0 HA CYS A 21 61.912 -1.096 -12.112 1.00 1.00 H new ATOM 0 HB2 CYS A 21 62.121 -3.297 -13.102 1.00 1.00 H new ATOM 0 HB3 CYS A 21 61.954 -2.663 -14.727 1.00 1.00 H new ATOM 304 N THR A 22 62.426 1.132 -13.204 1.00 1.00 N ATOM 305 CA THR A 22 62.959 2.366 -13.852 1.00 1.00 C ATOM 306 C THR A 22 63.912 3.074 -12.878 1.00 1.00 C ATOM 307 O THR A 22 63.529 3.408 -11.774 1.00 1.00 O ATOM 308 CB THR A 22 61.795 3.300 -14.193 1.00 1.00 C ATOM 309 OG1 THR A 22 60.977 2.692 -15.182 1.00 1.00 O ATOM 310 CG2 THR A 22 62.341 4.626 -14.724 1.00 1.00 C ATOM 0 HA THR A 22 63.495 2.103 -14.764 1.00 1.00 H new ATOM 0 HB THR A 22 61.204 3.487 -13.297 1.00 1.00 H new ATOM 0 HG1 THR A 22 60.230 3.288 -15.400 1.00 1.00 H new ATOM 0 HG21 THR A 22 61.511 5.290 -14.966 1.00 1.00 H new ATOM 0 HG22 THR A 22 62.968 5.092 -13.964 1.00 1.00 H new ATOM 0 HG23 THR A 22 62.933 4.443 -15.621 1.00 1.00 H new ATOM 318 N PRO A 23 65.145 3.303 -13.270 1.00 1.00 N ATOM 319 CA PRO A 23 66.143 3.982 -12.394 1.00 1.00 C ATOM 320 C PRO A 23 65.898 5.491 -12.304 1.00 1.00 C ATOM 321 O PRO A 23 65.765 6.169 -13.303 1.00 1.00 O ATOM 322 CB PRO A 23 67.481 3.690 -13.077 1.00 1.00 C ATOM 323 CG PRO A 23 67.144 3.508 -14.521 1.00 1.00 C ATOM 324 CD PRO A 23 65.720 2.945 -14.577 1.00 1.00 C ATOM 0 HA PRO A 23 66.095 3.624 -11.366 1.00 1.00 H new ATOM 0 HB2 PRO A 23 68.184 4.511 -12.936 1.00 1.00 H new ATOM 0 HB3 PRO A 23 67.948 2.796 -12.665 1.00 1.00 H new ATOM 0 HG2 PRO A 23 67.206 4.456 -15.055 1.00 1.00 H new ATOM 0 HG3 PRO A 23 67.848 2.827 -14.999 1.00 1.00 H new ATOM 0 HD2 PRO A 23 65.150 3.382 -15.397 1.00 1.00 H new ATOM 0 HD3 PRO A 23 65.723 1.866 -14.730 1.00 1.00 H new ATOM 332 N ARG A 24 65.834 6.021 -11.112 1.00 1.00 N ATOM 333 CA ARG A 24 65.596 7.485 -10.958 1.00 1.00 C ATOM 334 C ARG A 24 66.942 8.215 -10.909 1.00 1.00 C ATOM 335 O ARG A 24 67.495 8.579 -11.928 1.00 1.00 O ATOM 336 CB ARG A 24 64.815 7.737 -9.664 1.00 1.00 C ATOM 337 CG ARG A 24 64.364 9.198 -9.611 1.00 1.00 C ATOM 338 CD ARG A 24 63.128 9.384 -10.493 1.00 1.00 C ATOM 339 NE ARG A 24 62.123 8.333 -10.168 1.00 1.00 N ATOM 340 CZ ARG A 24 61.215 8.004 -11.046 1.00 1.00 C ATOM 341 NH1 ARG A 24 61.187 8.596 -12.209 1.00 1.00 N ATOM 342 NH2 ARG A 24 60.335 7.084 -10.761 1.00 1.00 N ATOM 0 H ARG A 24 65.936 5.504 -10.239 1.00 1.00 H new ATOM 0 HA ARG A 24 65.018 7.858 -11.804 1.00 1.00 H new ATOM 0 HB2 ARG A 24 63.949 7.077 -9.616 1.00 1.00 H new ATOM 0 HB3 ARG A 24 65.439 7.507 -8.800 1.00 1.00 H new ATOM 0 HG2 ARG A 24 64.137 9.482 -8.584 1.00 1.00 H new ATOM 0 HG3 ARG A 24 65.168 9.850 -9.952 1.00 1.00 H new ATOM 0 HD2 ARG A 24 62.700 10.374 -10.333 1.00 1.00 H new ATOM 0 HD3 ARG A 24 63.406 9.323 -11.545 1.00 1.00 H new ATOM 0 HE ARG A 24 62.145 7.871 -9.259 1.00 1.00 H new ATOM 0 HH11 ARG A 24 61.875 9.316 -12.432 1.00 1.00 H new ATOM 0 HH12 ARG A 24 60.477 8.339 -12.895 1.00 1.00 H new ATOM 0 HH21 ARG A 24 60.357 6.622 -9.852 1.00 1.00 H new ATOM 0 HH22 ARG A 24 59.625 6.827 -11.447 1.00 1.00 H new ATOM 356 N LYS A 25 67.476 8.432 -9.736 1.00 1.00 N ATOM 357 CA LYS A 25 68.786 9.137 -9.631 1.00 1.00 C ATOM 358 C LYS A 25 68.777 10.369 -10.541 1.00 1.00 C ATOM 359 O LYS A 25 67.753 10.988 -10.751 1.00 1.00 O ATOM 360 CB LYS A 25 69.912 8.189 -10.059 1.00 1.00 C ATOM 361 CG LYS A 25 69.582 6.766 -9.604 1.00 1.00 C ATOM 362 CD LYS A 25 69.368 6.750 -8.089 1.00 1.00 C ATOM 363 CE LYS A 25 69.245 5.304 -7.605 1.00 1.00 C ATOM 364 NZ LYS A 25 68.847 5.293 -6.169 1.00 1.00 N ATOM 0 H LYS A 25 67.062 8.152 -8.847 1.00 1.00 H new ATOM 0 HA LYS A 25 68.950 9.450 -8.600 1.00 1.00 H new ATOM 0 HB2 LYS A 25 70.033 8.217 -11.142 1.00 1.00 H new ATOM 0 HB3 LYS A 25 70.858 8.511 -9.624 1.00 1.00 H new ATOM 0 HG2 LYS A 25 68.686 6.409 -10.112 1.00 1.00 H new ATOM 0 HG3 LYS A 25 70.393 6.089 -9.874 1.00 1.00 H new ATOM 0 HD2 LYS A 25 70.202 7.242 -7.588 1.00 1.00 H new ATOM 0 HD3 LYS A 25 68.468 7.308 -7.833 1.00 1.00 H new ATOM 0 HE2 LYS A 25 68.505 4.771 -8.202 1.00 1.00 H new ATOM 0 HE3 LYS A 25 70.194 4.784 -7.734 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 68.763 4.310 -5.839 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 69.568 5.787 -5.605 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 67.932 5.774 -6.059 1.00 1.00 H new ATOM 378 N GLY A 26 69.909 10.729 -11.085 1.00 1.00 N ATOM 379 CA GLY A 26 69.958 11.920 -11.982 1.00 1.00 C ATOM 380 C GLY A 26 71.360 12.535 -11.952 1.00 1.00 C ATOM 381 O GLY A 26 72.033 12.611 -12.960 1.00 1.00 O ATOM 0 H GLY A 26 70.800 10.251 -10.947 1.00 1.00 H new ATOM 0 HA2 GLY A 26 69.700 11.630 -13.001 1.00 1.00 H new ATOM 0 HA3 GLY A 26 69.221 12.657 -11.664 1.00 1.00 H new ATOM 385 N PRO A 27 71.791 12.974 -10.799 1.00 1.00 N ATOM 386 CA PRO A 27 73.134 13.601 -10.626 1.00 1.00 C ATOM 387 C PRO A 27 74.247 12.787 -11.304 1.00 1.00 C ATOM 388 O PRO A 27 74.226 11.572 -11.288 1.00 1.00 O ATOM 389 CB PRO A 27 73.327 13.616 -9.107 1.00 1.00 C ATOM 390 CG PRO A 27 71.948 13.653 -8.538 1.00 1.00 C ATOM 391 CD PRO A 27 71.043 12.922 -9.532 1.00 1.00 C ATOM 0 HA PRO A 27 73.186 14.589 -11.083 1.00 1.00 H new ATOM 0 HB2 PRO A 27 73.868 12.732 -8.770 1.00 1.00 H new ATOM 0 HB3 PRO A 27 73.906 14.484 -8.792 1.00 1.00 H new ATOM 0 HG2 PRO A 27 71.919 13.170 -7.561 1.00 1.00 H new ATOM 0 HG3 PRO A 27 71.615 14.681 -8.396 1.00 1.00 H new ATOM 0 HD2 PRO A 27 70.856 11.894 -9.221 1.00 1.00 H new ATOM 0 HD3 PRO A 27 70.072 13.410 -9.621 1.00 1.00 H new ATOM 399 N PRO A 28 75.216 13.447 -11.891 1.00 1.00 N ATOM 400 CA PRO A 28 76.348 12.766 -12.576 1.00 1.00 C ATOM 401 C PRO A 28 76.833 11.532 -11.808 1.00 1.00 C ATOM 402 O PRO A 28 76.590 11.389 -10.626 1.00 1.00 O ATOM 403 CB PRO A 28 77.434 13.841 -12.611 1.00 1.00 C ATOM 404 CG PRO A 28 76.693 15.138 -12.655 1.00 1.00 C ATOM 405 CD PRO A 28 75.343 14.912 -11.964 1.00 1.00 C ATOM 0 HA PRO A 28 76.068 12.393 -13.561 1.00 1.00 H new ATOM 0 HB2 PRO A 28 78.076 13.783 -11.732 1.00 1.00 H new ATOM 0 HB3 PRO A 28 78.077 13.724 -13.483 1.00 1.00 H new ATOM 0 HG2 PRO A 28 77.258 15.921 -12.149 1.00 1.00 H new ATOM 0 HG3 PRO A 28 76.548 15.464 -13.685 1.00 1.00 H new ATOM 0 HD2 PRO A 28 75.323 15.364 -10.972 1.00 1.00 H new ATOM 0 HD3 PRO A 28 74.525 15.355 -12.533 1.00 1.00 H new ATOM 413 N LYS A 29 77.516 10.639 -12.471 1.00 1.00 N ATOM 414 CA LYS A 29 78.013 9.418 -11.778 1.00 1.00 C ATOM 415 C LYS A 29 79.268 9.762 -10.976 1.00 1.00 C ATOM 416 O LYS A 29 80.161 8.952 -10.829 1.00 1.00 O ATOM 417 CB LYS A 29 78.352 8.341 -12.814 1.00 1.00 C ATOM 418 CG LYS A 29 77.121 8.046 -13.674 1.00 1.00 C ATOM 419 CD LYS A 29 77.433 8.363 -15.138 1.00 1.00 C ATOM 420 CE LYS A 29 76.262 7.919 -16.017 1.00 1.00 C ATOM 421 NZ LYS A 29 76.430 8.480 -17.388 1.00 1.00 N ATOM 0 H LYS A 29 77.751 10.703 -13.462 1.00 1.00 H new ATOM 0 HA LYS A 29 77.240 9.045 -11.106 1.00 1.00 H new ATOM 0 HB2 LYS A 29 79.176 8.676 -13.444 1.00 1.00 H new ATOM 0 HB3 LYS A 29 78.683 7.432 -12.312 1.00 1.00 H new ATOM 0 HG2 LYS A 29 76.834 6.999 -13.571 1.00 1.00 H new ATOM 0 HG3 LYS A 29 76.275 8.643 -13.334 1.00 1.00 H new ATOM 0 HD2 LYS A 29 77.609 9.432 -15.260 1.00 1.00 H new ATOM 0 HD3 LYS A 29 78.346 7.853 -15.445 1.00 1.00 H new ATOM 0 HE2 LYS A 29 76.218 6.831 -16.061 1.00 1.00 H new ATOM 0 HE3 LYS A 29 75.320 8.259 -15.586 1.00 1.00 H new ATOM 0 HZ1 LYS A 29 75.634 8.179 -17.986 1.00 1.00 H new ATOM 0 HZ2 LYS A 29 76.452 9.519 -17.338 1.00 1.00 H new ATOM 0 HZ3 LYS A 29 77.321 8.135 -17.798 1.00 1.00 H new ATOM 435 N CYS A 30 79.344 10.956 -10.453 1.00 1.00 N ATOM 436 CA CYS A 30 80.545 11.341 -9.659 1.00 1.00 C ATOM 437 C CYS A 30 81.806 11.043 -10.472 1.00 1.00 C ATOM 438 O CYS A 30 82.106 11.714 -11.439 1.00 1.00 O ATOM 439 CB CYS A 30 80.570 10.534 -8.360 1.00 1.00 C ATOM 440 SG CYS A 30 82.087 10.906 -7.445 1.00 1.00 S ATOM 0 H CYS A 30 78.629 11.678 -10.541 1.00 1.00 H new ATOM 0 HA CYS A 30 80.507 12.405 -9.426 1.00 1.00 H new ATOM 0 HB2 CYS A 30 79.698 10.776 -7.753 1.00 1.00 H new ATOM 0 HB3 CYS A 30 80.518 9.468 -8.581 1.00 1.00 H new ATOM 445 N LYS A 31 82.542 10.034 -10.090 1.00 1.00 N ATOM 446 CA LYS A 31 83.783 9.677 -10.838 1.00 1.00 C ATOM 447 C LYS A 31 83.835 8.159 -11.018 1.00 1.00 C ATOM 448 O LYS A 31 82.980 7.441 -10.540 1.00 1.00 O ATOM 449 CB LYS A 31 85.011 10.134 -10.046 1.00 1.00 C ATOM 450 CG LYS A 31 84.987 11.657 -9.898 1.00 1.00 C ATOM 451 CD LYS A 31 86.091 12.093 -8.933 1.00 1.00 C ATOM 452 CE LYS A 31 85.962 13.592 -8.654 1.00 1.00 C ATOM 453 NZ LYS A 31 85.696 14.314 -9.930 1.00 1.00 N ATOM 0 H LYS A 31 82.336 9.438 -9.288 1.00 1.00 H new ATOM 0 HA LYS A 31 83.778 10.168 -11.811 1.00 1.00 H new ATOM 0 HB2 LYS A 31 85.019 9.663 -9.063 1.00 1.00 H new ATOM 0 HB3 LYS A 31 85.922 9.822 -10.556 1.00 1.00 H new ATOM 0 HG2 LYS A 31 85.131 12.130 -10.870 1.00 1.00 H new ATOM 0 HG3 LYS A 31 84.015 11.982 -9.526 1.00 1.00 H new ATOM 0 HD2 LYS A 31 86.017 11.531 -8.002 1.00 1.00 H new ATOM 0 HD3 LYS A 31 87.070 11.875 -9.361 1.00 1.00 H new ATOM 0 HE2 LYS A 31 85.153 13.773 -7.946 1.00 1.00 H new ATOM 0 HE3 LYS A 31 86.877 13.967 -8.195 1.00 1.00 H new ATOM 0 HZ1 LYS A 31 85.924 15.322 -9.813 1.00 1.00 H new ATOM 0 HZ2 LYS A 31 86.286 13.912 -10.686 1.00 1.00 H new ATOM 0 HZ3 LYS A 31 84.692 14.213 -10.183 1.00 1.00 H new ATOM 467 N GLN A 32 84.831 7.663 -11.699 1.00 1.00 N ATOM 468 CA GLN A 32 84.932 6.190 -11.900 1.00 1.00 C ATOM 469 C GLN A 32 85.034 5.507 -10.534 1.00 1.00 C ATOM 470 O GLN A 32 84.131 5.578 -9.725 1.00 1.00 O ATOM 471 CB GLN A 32 86.180 5.871 -12.729 1.00 1.00 C ATOM 472 CG GLN A 32 86.125 6.636 -14.053 1.00 1.00 C ATOM 473 CD GLN A 32 87.516 6.657 -14.689 1.00 1.00 C ATOM 474 OE1 GLN A 32 87.929 5.697 -15.308 1.00 1.00 O ATOM 475 NE2 GLN A 32 88.262 7.721 -14.561 1.00 1.00 N ATOM 0 H GLN A 32 85.578 8.213 -12.124 1.00 1.00 H new ATOM 0 HA GLN A 32 84.050 5.828 -12.427 1.00 1.00 H new ATOM 0 HB2 GLN A 32 87.077 6.147 -12.175 1.00 1.00 H new ATOM 0 HB3 GLN A 32 86.239 4.799 -12.919 1.00 1.00 H new ATOM 0 HG2 GLN A 32 85.412 6.164 -14.729 1.00 1.00 H new ATOM 0 HG3 GLN A 32 85.776 7.654 -13.882 1.00 1.00 H new ATOM 0 HE21 GLN A 32 87.915 8.527 -14.041 1.00 1.00 H new ATOM 0 HE22 GLN A 32 89.191 7.746 -14.981 1.00 1.00 H new ATOM 484 N ARG A 33 86.131 4.853 -10.266 1.00 1.00 N ATOM 485 CA ARG A 33 86.292 4.175 -8.948 1.00 1.00 C ATOM 486 C ARG A 33 87.782 3.961 -8.673 1.00 1.00 C ATOM 487 O ARG A 33 88.256 2.845 -8.597 1.00 1.00 O ATOM 488 CB ARG A 33 85.569 2.819 -8.966 1.00 1.00 C ATOM 489 CG ARG A 33 84.084 3.020 -8.659 1.00 1.00 C ATOM 490 CD ARG A 33 83.566 1.836 -7.840 1.00 1.00 C ATOM 491 NE ARG A 33 83.544 0.615 -8.692 1.00 1.00 N ATOM 492 CZ ARG A 33 82.859 -0.431 -8.317 1.00 1.00 C ATOM 493 NH1 ARG A 33 82.194 -0.406 -7.194 1.00 1.00 N ATOM 494 NH2 ARG A 33 82.840 -1.501 -9.064 1.00 1.00 N ATOM 0 H ARG A 33 86.923 4.759 -10.902 1.00 1.00 H new ATOM 0 HA ARG A 33 85.859 4.796 -8.164 1.00 1.00 H new ATOM 0 HB2 ARG A 33 85.688 2.346 -9.941 1.00 1.00 H new ATOM 0 HB3 ARG A 33 86.014 2.149 -8.231 1.00 1.00 H new ATOM 0 HG2 ARG A 33 83.939 3.949 -8.107 1.00 1.00 H new ATOM 0 HG3 ARG A 33 83.519 3.109 -9.587 1.00 1.00 H new ATOM 0 HD2 ARG A 33 84.204 1.675 -6.971 1.00 1.00 H new ATOM 0 HD3 ARG A 33 82.565 2.049 -7.466 1.00 1.00 H new ATOM 0 HE ARG A 33 84.064 0.596 -9.569 1.00 1.00 H new ATOM 0 HH11 ARG A 33 82.210 0.430 -6.610 1.00 1.00 H new ATOM 0 HH12 ARG A 33 81.658 -1.223 -6.900 1.00 1.00 H new ATOM 0 HH21 ARG A 33 83.360 -1.520 -9.941 1.00 1.00 H new ATOM 0 HH22 ARG A 33 82.305 -2.318 -8.771 1.00 1.00 H new ATOM 508 N GLN A 34 88.522 5.025 -8.519 1.00 1.00 N ATOM 509 CA GLN A 34 89.979 4.886 -8.245 1.00 1.00 C ATOM 510 C GLN A 34 90.176 4.119 -6.936 1.00 1.00 C ATOM 511 O GLN A 34 89.293 4.059 -6.103 1.00 1.00 O ATOM 512 CB GLN A 34 90.609 6.276 -8.123 1.00 1.00 C ATOM 513 CG GLN A 34 89.708 7.173 -7.272 1.00 1.00 C ATOM 514 CD GLN A 34 90.465 8.448 -6.895 1.00 1.00 C ATOM 515 OE1 GLN A 34 91.675 8.498 -6.984 1.00 1.00 O ATOM 516 NE2 GLN A 34 89.798 9.488 -6.475 1.00 1.00 N ATOM 0 H GLN A 34 88.180 5.984 -8.571 1.00 1.00 H new ATOM 0 HA GLN A 34 90.455 4.343 -9.061 1.00 1.00 H new ATOM 0 HB2 GLN A 34 91.597 6.200 -7.669 1.00 1.00 H new ATOM 0 HB3 GLN A 34 90.745 6.713 -9.112 1.00 1.00 H new ATOM 0 HG2 GLN A 34 88.802 7.425 -7.824 1.00 1.00 H new ATOM 0 HG3 GLN A 34 89.396 6.643 -6.372 1.00 1.00 H new ATOM 0 HE21 GLN A 34 88.782 9.446 -6.400 1.00 1.00 H new ATOM 0 HE22 GLN A 34 90.293 10.343 -6.221 1.00 1.00 H new ATOM 525 N THR A 35 91.324 3.530 -6.747 1.00 1.00 N ATOM 526 CA THR A 35 91.570 2.767 -5.491 1.00 1.00 C ATOM 527 C THR A 35 90.386 1.833 -5.226 1.00 1.00 C ATOM 528 O THR A 35 89.781 1.867 -4.173 1.00 1.00 O ATOM 529 CB THR A 35 91.722 3.744 -4.322 1.00 1.00 C ATOM 530 OG1 THR A 35 90.436 4.121 -3.852 1.00 1.00 O ATOM 531 CG2 THR A 35 92.482 4.987 -4.788 1.00 1.00 C ATOM 0 H THR A 35 92.102 3.544 -7.407 1.00 1.00 H new ATOM 0 HA THR A 35 92.482 2.180 -5.593 1.00 1.00 H new ATOM 0 HB THR A 35 92.277 3.263 -3.516 1.00 1.00 H new ATOM 0 HG1 THR A 35 90.072 3.408 -3.287 1.00 1.00 H new ATOM 0 HG21 THR A 35 92.589 5.681 -3.955 1.00 1.00 H new ATOM 0 HG22 THR A 35 93.469 4.696 -5.148 1.00 1.00 H new ATOM 0 HG23 THR A 35 91.930 5.470 -5.594 1.00 1.00 H new ATOM 539 N ARG A 36 90.051 1.001 -6.174 1.00 1.00 N ATOM 540 CA ARG A 36 88.906 0.067 -5.979 1.00 1.00 C ATOM 541 C ARG A 36 89.013 -0.597 -4.605 1.00 1.00 C ATOM 542 O ARG A 36 88.041 -1.079 -4.060 1.00 1.00 O ATOM 543 CB ARG A 36 88.935 -1.009 -7.067 1.00 1.00 C ATOM 544 CG ARG A 36 89.045 -0.345 -8.441 1.00 1.00 C ATOM 545 CD ARG A 36 88.686 -1.359 -9.529 1.00 1.00 C ATOM 546 NE ARG A 36 89.107 -0.832 -10.857 1.00 1.00 N ATOM 547 CZ ARG A 36 88.546 -1.283 -11.946 1.00 1.00 C ATOM 548 NH1 ARG A 36 87.616 -2.196 -11.871 1.00 1.00 N ATOM 549 NH2 ARG A 36 88.914 -0.821 -13.109 1.00 1.00 N ATOM 0 H ARG A 36 90.521 0.928 -7.076 1.00 1.00 H new ATOM 0 HA ARG A 36 87.971 0.624 -6.041 1.00 1.00 H new ATOM 0 HB2 ARG A 36 89.779 -1.680 -6.907 1.00 1.00 H new ATOM 0 HB3 ARG A 36 88.031 -1.616 -7.016 1.00 1.00 H new ATOM 0 HG2 ARG A 36 88.377 0.515 -8.496 1.00 1.00 H new ATOM 0 HG3 ARG A 36 90.057 0.028 -8.596 1.00 1.00 H new ATOM 0 HD2 ARG A 36 89.179 -2.311 -9.331 1.00 1.00 H new ATOM 0 HD3 ARG A 36 87.613 -1.549 -9.525 1.00 1.00 H new ATOM 0 HE ARG A 36 89.834 -0.119 -10.916 1.00 1.00 H new ATOM 0 HH11 ARG A 36 87.328 -2.557 -10.962 1.00 1.00 H new ATOM 0 HH12 ARG A 36 87.178 -2.548 -12.722 1.00 1.00 H new ATOM 0 HH21 ARG A 36 89.640 -0.107 -13.168 1.00 1.00 H new ATOM 0 HH22 ARG A 36 88.476 -1.174 -13.960 1.00 1.00 H new ATOM 563 N GLN A 37 90.190 -0.627 -4.042 1.00 1.00 N ATOM 564 CA GLN A 37 90.361 -1.261 -2.704 1.00 1.00 C ATOM 565 C GLN A 37 90.123 -0.218 -1.611 1.00 1.00 C ATOM 566 O GLN A 37 89.450 -0.473 -0.632 1.00 1.00 O ATOM 567 CB GLN A 37 91.783 -1.812 -2.582 1.00 1.00 C ATOM 568 CG GLN A 37 92.119 -2.638 -3.825 1.00 1.00 C ATOM 569 CD GLN A 37 93.378 -3.467 -3.563 1.00 1.00 C ATOM 570 OE1 GLN A 37 94.118 -3.193 -2.640 1.00 1.00 O ATOM 571 NE2 GLN A 37 93.653 -4.476 -4.343 1.00 1.00 N ATOM 0 H GLN A 37 91.041 -0.240 -4.451 1.00 1.00 H new ATOM 0 HA GLN A 37 89.644 -2.074 -2.592 1.00 1.00 H new ATOM 0 HB2 GLN A 37 92.494 -0.993 -2.474 1.00 1.00 H new ATOM 0 HB3 GLN A 37 91.870 -2.429 -1.688 1.00 1.00 H new ATOM 0 HG2 GLN A 37 91.285 -3.294 -4.075 1.00 1.00 H new ATOM 0 HG3 GLN A 37 92.275 -1.980 -4.680 1.00 1.00 H new ATOM 0 HE21 GLN A 37 93.031 -4.706 -5.118 1.00 1.00 H new ATOM 0 HE22 GLN A 37 94.490 -5.035 -4.178 1.00 1.00 H new ATOM 580 N CYS A 38 90.672 0.956 -1.768 1.00 1.00 N ATOM 581 CA CYS A 38 90.477 2.012 -0.735 1.00 1.00 C ATOM 582 C CYS A 38 90.877 1.457 0.636 1.00 1.00 C ATOM 583 O CYS A 38 90.060 1.312 1.524 1.00 1.00 O ATOM 584 CB CYS A 38 89.004 2.443 -0.721 1.00 1.00 C ATOM 585 SG CYS A 38 88.865 4.132 -1.356 1.00 1.00 S ATOM 0 H CYS A 38 91.246 1.229 -2.566 1.00 1.00 H new ATOM 0 HA CYS A 38 91.099 2.877 -0.966 1.00 1.00 H new ATOM 0 HB2 CYS A 38 88.409 1.763 -1.331 1.00 1.00 H new ATOM 0 HB3 CYS A 38 88.608 2.390 0.293 1.00 1.00 H new ATOM 590 N LYS A 39 92.134 1.144 0.810 1.00 1.00 N ATOM 591 CA LYS A 39 92.605 0.598 2.117 1.00 1.00 C ATOM 592 C LYS A 39 93.843 1.374 2.569 1.00 1.00 C ATOM 593 O LYS A 39 94.519 0.994 3.504 1.00 1.00 O ATOM 594 CB LYS A 39 92.967 -0.881 1.952 1.00 1.00 C ATOM 595 CG LYS A 39 91.713 -1.680 1.592 1.00 1.00 C ATOM 596 CD LYS A 39 90.823 -1.820 2.828 1.00 1.00 C ATOM 597 CE LYS A 39 89.868 -3.000 2.640 1.00 1.00 C ATOM 598 NZ LYS A 39 90.626 -4.277 2.763 1.00 1.00 N ATOM 0 H LYS A 39 92.859 1.244 0.099 1.00 1.00 H new ATOM 0 HA LYS A 39 91.815 0.698 2.861 1.00 1.00 H new ATOM 0 HB2 LYS A 39 93.720 -0.997 1.173 1.00 1.00 H new ATOM 0 HB3 LYS A 39 93.402 -1.264 2.875 1.00 1.00 H new ATOM 0 HG2 LYS A 39 91.167 -1.179 0.793 1.00 1.00 H new ATOM 0 HG3 LYS A 39 91.992 -2.665 1.218 1.00 1.00 H new ATOM 0 HD2 LYS A 39 91.437 -1.974 3.715 1.00 1.00 H new ATOM 0 HD3 LYS A 39 90.257 -0.902 2.987 1.00 1.00 H new ATOM 0 HE2 LYS A 39 89.075 -2.962 3.387 1.00 1.00 H new ATOM 0 HE3 LYS A 39 89.389 -2.942 1.663 1.00 1.00 H new ATOM 0 HZ1 LYS A 39 89.980 -5.037 3.057 1.00 1.00 H new ATOM 0 HZ2 LYS A 39 91.050 -4.519 1.845 1.00 1.00 H new ATOM 0 HZ3 LYS A 39 91.378 -4.167 3.473 1.00 1.00 H new ATOM 612 N SER A 40 94.144 2.462 1.909 1.00 1.00 N ATOM 613 CA SER A 40 95.338 3.271 2.292 1.00 1.00 C ATOM 614 C SER A 40 94.885 4.541 3.014 1.00 1.00 C ATOM 615 O SER A 40 95.668 5.214 3.655 1.00 1.00 O ATOM 616 CB SER A 40 96.115 3.653 1.032 1.00 1.00 C ATOM 617 OG SER A 40 96.779 2.504 0.524 1.00 1.00 O ATOM 0 H SER A 40 93.612 2.826 1.118 1.00 1.00 H new ATOM 0 HA SER A 40 95.977 2.686 2.954 1.00 1.00 H new ATOM 0 HB2 SER A 40 95.436 4.057 0.281 1.00 1.00 H new ATOM 0 HB3 SER A 40 96.839 4.435 1.260 1.00 1.00 H new ATOM 0 HG SER A 40 97.277 2.745 -0.285 1.00 1.00 H new ATOM 623 N LYS A 41 93.627 4.877 2.915 1.00 1.00 N ATOM 624 CA LYS A 41 93.126 6.106 3.596 1.00 1.00 C ATOM 625 C LYS A 41 92.657 5.745 5.013 1.00 1.00 C ATOM 626 O LYS A 41 91.987 4.750 5.209 1.00 1.00 O ATOM 627 CB LYS A 41 91.945 6.684 2.804 1.00 1.00 C ATOM 628 CG LYS A 41 92.456 7.339 1.519 1.00 1.00 C ATOM 629 CD LYS A 41 92.502 6.299 0.399 1.00 1.00 C ATOM 630 CE LYS A 41 91.138 6.228 -0.289 1.00 1.00 C ATOM 631 NZ LYS A 41 90.811 7.554 -0.884 1.00 1.00 N ATOM 0 H LYS A 41 92.925 4.354 2.392 1.00 1.00 H new ATOM 0 HA LYS A 41 93.926 6.845 3.650 1.00 1.00 H new ATOM 0 HB2 LYS A 41 91.235 5.893 2.563 1.00 1.00 H new ATOM 0 HB3 LYS A 41 91.412 7.417 3.410 1.00 1.00 H new ATOM 0 HG2 LYS A 41 91.804 8.165 1.236 1.00 1.00 H new ATOM 0 HG3 LYS A 41 93.449 7.758 1.682 1.00 1.00 H new ATOM 0 HD2 LYS A 41 93.273 6.563 -0.325 1.00 1.00 H new ATOM 0 HD3 LYS A 41 92.767 5.323 0.805 1.00 1.00 H new ATOM 0 HE2 LYS A 41 91.150 5.463 -1.065 1.00 1.00 H new ATOM 0 HE3 LYS A 41 90.371 5.941 0.430 1.00 1.00 H new ATOM 0 HZ1 LYS A 41 90.258 7.417 -1.754 1.00 1.00 H new ATOM 0 HZ2 LYS A 41 90.255 8.112 -0.205 1.00 1.00 H new ATOM 0 HZ3 LYS A 41 91.691 8.060 -1.109 1.00 1.00 H new ATOM 645 N PRO A 42 93.001 6.543 5.996 1.00 1.00 N ATOM 646 CA PRO A 42 92.599 6.288 7.412 1.00 1.00 C ATOM 647 C PRO A 42 91.131 6.653 7.673 1.00 1.00 C ATOM 648 O PRO A 42 90.530 7.404 6.930 1.00 1.00 O ATOM 649 CB PRO A 42 93.528 7.202 8.213 1.00 1.00 C ATOM 650 CG PRO A 42 93.831 8.339 7.293 1.00 1.00 C ATOM 651 CD PRO A 42 93.804 7.771 5.871 1.00 1.00 C ATOM 0 HA PRO A 42 92.683 5.234 7.678 1.00 1.00 H new ATOM 0 HB2 PRO A 42 93.048 7.550 9.128 1.00 1.00 H new ATOM 0 HB3 PRO A 42 94.438 6.680 8.509 1.00 1.00 H new ATOM 0 HG2 PRO A 42 93.095 9.135 7.406 1.00 1.00 H new ATOM 0 HG3 PRO A 42 94.806 8.771 7.519 1.00 1.00 H new ATOM 0 HD2 PRO A 42 93.354 8.473 5.169 1.00 1.00 H new ATOM 0 HD3 PRO A 42 94.809 7.556 5.507 1.00 1.00 H new ATOM 659 N PRO A 43 90.561 6.127 8.728 1.00 1.00 N ATOM 660 CA PRO A 43 89.143 6.404 9.102 1.00 1.00 C ATOM 661 C PRO A 43 88.968 7.804 9.702 1.00 1.00 C ATOM 662 O PRO A 43 89.925 8.450 10.081 1.00 1.00 O ATOM 663 CB PRO A 43 88.832 5.329 10.146 1.00 1.00 C ATOM 664 CG PRO A 43 90.149 5.004 10.769 1.00 1.00 C ATOM 665 CD PRO A 43 91.208 5.211 9.683 1.00 1.00 C ATOM 0 HA PRO A 43 88.479 6.378 8.238 1.00 1.00 H new ATOM 0 HB2 PRO A 43 88.123 5.694 10.889 1.00 1.00 H new ATOM 0 HB3 PRO A 43 88.385 4.448 9.685 1.00 1.00 H new ATOM 0 HG2 PRO A 43 90.342 5.649 11.626 1.00 1.00 H new ATOM 0 HG3 PRO A 43 90.163 3.977 11.133 1.00 1.00 H new ATOM 0 HD2 PRO A 43 92.122 5.641 10.093 1.00 1.00 H new ATOM 0 HD3 PRO A 43 91.484 4.269 9.209 1.00 1.00 H new ATOM 673 N LYS A 44 87.754 8.278 9.793 1.00 1.00 N ATOM 674 CA LYS A 44 87.523 9.635 10.370 1.00 1.00 C ATOM 675 C LYS A 44 86.166 9.666 11.079 1.00 1.00 C ATOM 676 O LYS A 44 86.025 9.191 12.188 1.00 1.00 O ATOM 677 CB LYS A 44 87.542 10.676 9.247 1.00 1.00 C ATOM 678 CG LYS A 44 87.344 12.073 9.839 1.00 1.00 C ATOM 679 CD LYS A 44 87.929 13.119 8.888 1.00 1.00 C ATOM 680 CE LYS A 44 89.411 13.326 9.206 1.00 1.00 C ATOM 681 NZ LYS A 44 89.544 14.138 10.448 1.00 1.00 N ATOM 0 H LYS A 44 86.913 7.785 9.493 1.00 1.00 H new ATOM 0 HA LYS A 44 88.310 9.864 11.089 1.00 1.00 H new ATOM 0 HB2 LYS A 44 88.489 10.629 8.709 1.00 1.00 H new ATOM 0 HB3 LYS A 44 86.754 10.461 8.525 1.00 1.00 H new ATOM 0 HG2 LYS A 44 86.283 12.265 9.999 1.00 1.00 H new ATOM 0 HG3 LYS A 44 87.830 12.139 10.812 1.00 1.00 H new ATOM 0 HD2 LYS A 44 87.810 12.793 7.855 1.00 1.00 H new ATOM 0 HD3 LYS A 44 87.389 14.061 8.990 1.00 1.00 H new ATOM 0 HE2 LYS A 44 89.904 12.363 9.334 1.00 1.00 H new ATOM 0 HE3 LYS A 44 89.905 13.829 8.375 1.00 1.00 H new ATOM 0 HZ1 LYS A 44 90.480 14.590 10.469 1.00 1.00 H new ATOM 0 HZ2 LYS A 44 88.806 14.870 10.465 1.00 1.00 H new ATOM 0 HZ3 LYS A 44 89.439 13.521 11.279 1.00 1.00 H new ATOM 695 N LYS A 45 85.167 10.224 10.451 1.00 1.00 N ATOM 696 CA LYS A 45 83.822 10.287 11.092 1.00 1.00 C ATOM 697 C LYS A 45 83.456 8.909 11.650 1.00 1.00 C ATOM 698 O LYS A 45 83.264 8.740 12.838 1.00 1.00 O ATOM 699 CB LYS A 45 82.780 10.712 10.050 1.00 1.00 C ATOM 700 CG LYS A 45 82.757 12.238 9.940 1.00 1.00 C ATOM 701 CD LYS A 45 81.816 12.812 11.001 1.00 1.00 C ATOM 702 CE LYS A 45 80.385 12.830 10.460 1.00 1.00 C ATOM 703 NZ LYS A 45 79.424 12.875 11.598 1.00 1.00 N ATOM 0 H LYS A 45 85.224 10.639 9.521 1.00 1.00 H new ATOM 0 HA LYS A 45 83.840 11.013 11.905 1.00 1.00 H new ATOM 0 HB2 LYS A 45 83.018 10.271 9.082 1.00 1.00 H new ATOM 0 HB3 LYS A 45 81.795 10.343 10.335 1.00 1.00 H new ATOM 0 HG2 LYS A 45 83.762 12.638 10.075 1.00 1.00 H new ATOM 0 HG3 LYS A 45 82.426 12.537 8.945 1.00 1.00 H new ATOM 0 HD2 LYS A 45 81.865 12.211 11.909 1.00 1.00 H new ATOM 0 HD3 LYS A 45 82.127 13.822 11.270 1.00 1.00 H new ATOM 0 HE2 LYS A 45 80.240 13.695 9.813 1.00 1.00 H new ATOM 0 HE3 LYS A 45 80.204 11.944 9.852 1.00 1.00 H new ATOM 0 HZ1 LYS A 45 78.451 12.887 11.231 1.00 1.00 H new ATOM 0 HZ2 LYS A 45 79.557 12.036 12.198 1.00 1.00 H new ATOM 0 HZ3 LYS A 45 79.592 13.733 12.161 1.00 1.00 H new ATOM 717 N GLY A 46 83.357 7.923 10.801 1.00 1.00 N ATOM 718 CA GLY A 46 83.000 6.558 11.281 1.00 1.00 C ATOM 719 C GLY A 46 83.883 6.186 12.473 1.00 1.00 C ATOM 720 O GLY A 46 85.011 5.763 12.314 1.00 1.00 O ATOM 0 H GLY A 46 83.508 8.004 9.795 1.00 1.00 H new ATOM 0 HA2 GLY A 46 81.949 6.526 11.570 1.00 1.00 H new ATOM 0 HA3 GLY A 46 83.132 5.833 10.478 1.00 1.00 H new ATOM 724 N VAL A 47 83.381 6.340 13.668 1.00 1.00 N ATOM 725 CA VAL A 47 84.195 5.993 14.866 1.00 1.00 C ATOM 726 C VAL A 47 84.651 4.536 14.763 1.00 1.00 C ATOM 727 O VAL A 47 85.789 4.212 15.041 1.00 1.00 O ATOM 728 CB VAL A 47 83.354 6.183 16.134 1.00 1.00 C ATOM 729 CG1 VAL A 47 83.327 7.665 16.512 1.00 1.00 C ATOM 730 CG2 VAL A 47 81.926 5.699 15.874 1.00 1.00 C ATOM 0 H VAL A 47 82.444 6.691 13.866 1.00 1.00 H new ATOM 0 HA VAL A 47 85.067 6.645 14.915 1.00 1.00 H new ATOM 0 HB VAL A 47 83.792 5.608 16.950 1.00 1.00 H new ATOM 0 HG11 VAL A 47 82.729 7.800 17.413 1.00 1.00 H new ATOM 0 HG12 VAL A 47 84.344 8.012 16.696 1.00 1.00 H new ATOM 0 HG13 VAL A 47 82.889 8.241 15.697 1.00 1.00 H new ATOM 0 HG21 VAL A 47 81.327 5.833 16.774 1.00 1.00 H new ATOM 0 HG22 VAL A 47 81.489 6.275 15.058 1.00 1.00 H new ATOM 0 HG23 VAL A 47 81.943 4.643 15.604 1.00 1.00 H new ATOM 740 N GLN A 48 83.775 3.655 14.361 1.00 1.00 N ATOM 741 CA GLN A 48 84.160 2.221 14.238 1.00 1.00 C ATOM 742 C GLN A 48 83.015 1.438 13.589 1.00 1.00 C ATOM 743 O GLN A 48 82.119 0.963 14.258 1.00 1.00 O ATOM 744 CB GLN A 48 84.446 1.646 15.630 1.00 1.00 C ATOM 745 CG GLN A 48 85.249 0.351 15.493 1.00 1.00 C ATOM 746 CD GLN A 48 84.387 -0.715 14.814 1.00 1.00 C ATOM 747 OE1 GLN A 48 84.414 -0.857 13.608 1.00 1.00 O ATOM 748 NE2 GLN A 48 83.617 -1.476 15.543 1.00 1.00 N ATOM 0 H GLN A 48 82.809 3.867 14.112 1.00 1.00 H new ATOM 0 HA GLN A 48 85.054 2.138 13.620 1.00 1.00 H new ATOM 0 HB2 GLN A 48 85.002 2.369 16.227 1.00 1.00 H new ATOM 0 HB3 GLN A 48 83.510 1.452 16.154 1.00 1.00 H new ATOM 0 HG2 GLN A 48 86.151 0.530 14.909 1.00 1.00 H new ATOM 0 HG3 GLN A 48 85.569 0.003 16.475 1.00 1.00 H new ATOM 0 HE21 GLN A 48 83.594 -1.357 16.556 1.00 1.00 H new ATOM 0 HE22 GLN A 48 83.038 -2.190 15.100 1.00 1.00 H new ATOM 757 N GLY A 49 83.041 1.294 12.290 1.00 1.00 N ATOM 758 CA GLY A 49 81.958 0.534 11.598 1.00 1.00 C ATOM 759 C GLY A 49 80.930 1.506 11.016 1.00 1.00 C ATOM 760 O GLY A 49 79.877 1.104 10.563 1.00 1.00 O ATOM 0 H GLY A 49 83.765 1.670 11.678 1.00 1.00 H new ATOM 0 HA2 GLY A 49 82.383 -0.079 10.803 1.00 1.00 H new ATOM 0 HA3 GLY A 49 81.473 -0.145 12.299 1.00 1.00 H new ATOM 764 N CYS A 50 81.229 2.780 11.024 1.00 1.00 N ATOM 765 CA CYS A 50 80.276 3.787 10.470 1.00 1.00 C ATOM 766 C CYS A 50 78.838 3.383 10.810 1.00 1.00 C ATOM 767 O CYS A 50 77.909 3.705 10.097 1.00 1.00 O ATOM 768 CB CYS A 50 80.439 3.862 8.949 1.00 1.00 C ATOM 769 SG CYS A 50 79.996 2.268 8.214 1.00 1.00 S ATOM 0 H CYS A 50 82.098 3.167 11.393 1.00 1.00 H new ATOM 0 HA CYS A 50 80.489 4.762 10.909 1.00 1.00 H new ATOM 0 HB2 CYS A 50 79.805 4.650 8.543 1.00 1.00 H new ATOM 0 HB3 CYS A 50 81.468 4.118 8.695 1.00 1.00 H new ATOM 774 N GLY A 51 78.648 2.677 11.893 1.00 1.00 N ATOM 775 CA GLY A 51 77.270 2.248 12.278 1.00 1.00 C ATOM 776 C GLY A 51 76.701 3.213 13.321 1.00 1.00 C ATOM 777 O GLY A 51 77.385 4.093 13.806 1.00 1.00 O ATOM 0 H GLY A 51 79.388 2.378 12.529 1.00 1.00 H new ATOM 0 HA2 GLY A 51 76.626 2.227 11.399 1.00 1.00 H new ATOM 0 HA3 GLY A 51 77.293 1.235 12.680 1.00 1.00 H new ATOM 781 N ASP A 52 75.454 3.053 13.670 1.00 1.00 N ATOM 782 CA ASP A 52 74.839 3.957 14.683 1.00 1.00 C ATOM 783 C ASP A 52 75.085 5.415 14.289 1.00 1.00 C ATOM 784 O ASP A 52 75.448 6.236 15.109 1.00 1.00 O ATOM 785 CB ASP A 52 75.462 3.686 16.054 1.00 1.00 C ATOM 786 CG ASP A 52 74.596 4.320 17.144 1.00 1.00 C ATOM 787 OD1 ASP A 52 73.732 5.111 16.801 1.00 1.00 O ATOM 788 OD2 ASP A 52 74.811 4.005 18.303 1.00 1.00 O ATOM 0 H ASP A 52 74.834 2.334 13.297 1.00 1.00 H new ATOM 0 HA ASP A 52 73.766 3.772 14.728 1.00 1.00 H new ATOM 0 HB2 ASP A 52 75.546 2.612 16.221 1.00 1.00 H new ATOM 0 HB3 ASP A 52 76.472 4.095 16.093 1.00 1.00 H new ATOM 793 N ASP A 53 74.889 5.745 13.041 1.00 1.00 N ATOM 794 CA ASP A 53 75.108 7.152 12.592 1.00 1.00 C ATOM 795 C ASP A 53 73.766 7.888 12.553 1.00 1.00 C ATOM 796 O ASP A 53 73.045 7.932 13.529 1.00 1.00 O ATOM 797 CB ASP A 53 75.731 7.148 11.194 1.00 1.00 C ATOM 798 CG ASP A 53 76.111 8.577 10.800 1.00 1.00 C ATOM 799 OD1 ASP A 53 76.142 9.424 11.678 1.00 1.00 O ATOM 800 OD2 ASP A 53 76.364 8.799 9.628 1.00 1.00 O ATOM 0 H ASP A 53 74.586 5.100 12.311 1.00 1.00 H new ATOM 0 HA ASP A 53 75.779 7.657 13.287 1.00 1.00 H new ATOM 0 HB2 ASP A 53 76.614 6.509 11.180 1.00 1.00 H new ATOM 0 HB3 ASP A 53 75.027 6.735 10.472 1.00 1.00 H new ATOM 805 N ILE A 54 73.426 8.465 11.429 1.00 1.00 N ATOM 806 CA ILE A 54 72.130 9.198 11.317 1.00 1.00 C ATOM 807 C ILE A 54 71.213 8.456 10.337 1.00 1.00 C ATOM 808 O ILE A 54 71.297 8.650 9.141 1.00 1.00 O ATOM 809 CB ILE A 54 72.390 10.611 10.790 1.00 1.00 C ATOM 810 CG1 ILE A 54 73.320 11.350 11.754 1.00 1.00 C ATOM 811 CG2 ILE A 54 71.065 11.368 10.681 1.00 1.00 C ATOM 812 CD1 ILE A 54 73.775 12.665 11.118 1.00 1.00 C ATOM 0 H ILE A 54 73.993 8.460 10.581 1.00 1.00 H new ATOM 0 HA ILE A 54 71.656 9.253 12.297 1.00 1.00 H new ATOM 0 HB ILE A 54 72.856 10.552 9.806 1.00 1.00 H new ATOM 0 HG12 ILE A 54 72.804 11.548 12.694 1.00 1.00 H new ATOM 0 HG13 ILE A 54 74.185 10.729 11.989 1.00 1.00 H new ATOM 0 HG21 ILE A 54 71.251 12.374 10.306 1.00 1.00 H new ATOM 0 HG22 ILE A 54 70.401 10.842 9.995 1.00 1.00 H new ATOM 0 HG23 ILE A 54 70.598 11.428 11.664 1.00 1.00 H new ATOM 0 HD11 ILE A 54 74.438 13.191 11.805 1.00 1.00 H new ATOM 0 HD12 ILE A 54 74.307 12.455 10.190 1.00 1.00 H new ATOM 0 HD13 ILE A 54 72.905 13.286 10.905 1.00 1.00 H new ATOM 824 N PRO A 55 70.348 7.608 10.834 1.00 1.00 N ATOM 825 CA PRO A 55 69.413 6.829 9.979 1.00 1.00 C ATOM 826 C PRO A 55 68.181 7.645 9.573 1.00 1.00 C ATOM 827 O PRO A 55 67.265 7.830 10.349 1.00 1.00 O ATOM 828 CB PRO A 55 69.017 5.652 10.871 1.00 1.00 C ATOM 829 CG PRO A 55 69.124 6.169 12.269 1.00 1.00 C ATOM 830 CD PRO A 55 70.167 7.294 12.260 1.00 1.00 C ATOM 0 HA PRO A 55 69.871 6.527 9.037 1.00 1.00 H new ATOM 0 HB2 PRO A 55 68.004 5.315 10.652 1.00 1.00 H new ATOM 0 HB3 PRO A 55 69.678 4.799 10.715 1.00 1.00 H new ATOM 0 HG2 PRO A 55 68.160 6.541 12.616 1.00 1.00 H new ATOM 0 HG3 PRO A 55 69.423 5.373 12.951 1.00 1.00 H new ATOM 0 HD2 PRO A 55 69.820 8.163 12.818 1.00 1.00 H new ATOM 0 HD3 PRO A 55 71.102 6.973 12.719 1.00 1.00 H new ATOM 838 N GLY A 56 68.152 8.132 8.362 1.00 1.00 N ATOM 839 CA GLY A 56 66.978 8.934 7.913 1.00 1.00 C ATOM 840 C GLY A 56 67.207 9.422 6.482 1.00 1.00 C ATOM 841 O GLY A 56 66.460 10.230 5.966 1.00 1.00 O ATOM 0 H GLY A 56 68.888 8.010 7.666 1.00 1.00 H new ATOM 0 HA2 GLY A 56 66.072 8.330 7.961 1.00 1.00 H new ATOM 0 HA3 GLY A 56 66.830 9.784 8.579 1.00 1.00 H new ATOM 845 N MET A 57 68.234 8.939 5.837 1.00 1.00 N ATOM 846 CA MET A 57 68.514 9.373 4.438 1.00 1.00 C ATOM 847 C MET A 57 68.838 10.869 4.423 1.00 1.00 C ATOM 848 O MET A 57 68.048 11.683 3.988 1.00 1.00 O ATOM 849 CB MET A 57 67.287 9.101 3.560 1.00 1.00 C ATOM 850 CG MET A 57 67.715 9.039 2.092 1.00 1.00 C ATOM 851 SD MET A 57 66.245 9.017 1.036 1.00 1.00 S ATOM 852 CE MET A 57 66.116 10.805 0.790 1.00 1.00 C ATOM 0 H MET A 57 68.893 8.261 6.219 1.00 1.00 H new ATOM 0 HA MET A 57 69.365 8.815 4.048 1.00 1.00 H new ATOM 0 HB2 MET A 57 66.817 8.162 3.853 1.00 1.00 H new ATOM 0 HB3 MET A 57 66.544 9.886 3.701 1.00 1.00 H new ATOM 0 HG2 MET A 57 68.339 9.899 1.847 1.00 1.00 H new ATOM 0 HG3 MET A 57 68.317 8.148 1.915 1.00 1.00 H new ATOM 0 HE1 MET A 57 65.258 11.024 0.154 1.00 1.00 H new ATOM 0 HE2 MET A 57 65.988 11.297 1.754 1.00 1.00 H new ATOM 0 HE3 MET A 57 67.024 11.173 0.313 1.00 1.00 H new ATOM 862 N GLU A 58 69.998 11.235 4.895 1.00 1.00 N ATOM 863 CA GLU A 58 70.381 12.676 4.909 1.00 1.00 C ATOM 864 C GLU A 58 71.787 12.813 5.500 1.00 1.00 C ATOM 865 O GLU A 58 72.175 13.862 5.974 1.00 1.00 O ATOM 866 CB GLU A 58 69.375 13.465 5.763 1.00 1.00 C ATOM 867 CG GLU A 58 68.675 14.511 4.894 1.00 1.00 C ATOM 868 CD GLU A 58 67.658 15.280 5.739 1.00 1.00 C ATOM 869 OE1 GLU A 58 66.950 14.644 6.503 1.00 1.00 O ATOM 870 OE2 GLU A 58 67.604 16.492 5.609 1.00 1.00 O ATOM 0 H GLU A 58 70.699 10.597 5.272 1.00 1.00 H new ATOM 0 HA GLU A 58 70.373 13.072 3.894 1.00 1.00 H new ATOM 0 HB2 GLU A 58 68.640 12.787 6.197 1.00 1.00 H new ATOM 0 HB3 GLU A 58 69.889 13.951 6.592 1.00 1.00 H new ATOM 0 HG2 GLU A 58 69.408 15.199 4.473 1.00 1.00 H new ATOM 0 HG3 GLU A 58 68.175 14.027 4.056 1.00 1.00 H new ATOM 877 N GLY A 59 72.551 11.755 5.476 1.00 1.00 N ATOM 878 CA GLY A 59 73.931 11.814 6.036 1.00 1.00 C ATOM 879 C GLY A 59 74.454 10.390 6.232 1.00 1.00 C ATOM 880 O GLY A 59 74.865 10.011 7.311 1.00 1.00 O ATOM 0 H GLY A 59 72.278 10.850 5.092 1.00 1.00 H new ATOM 0 HA2 GLY A 59 74.587 12.366 5.362 1.00 1.00 H new ATOM 0 HA3 GLY A 59 73.928 12.348 6.986 1.00 1.00 H new ATOM 884 N CYS A 60 74.434 9.598 5.196 1.00 1.00 N ATOM 885 CA CYS A 60 74.920 8.195 5.317 1.00 1.00 C ATOM 886 C CYS A 60 74.072 7.449 6.348 1.00 1.00 C ATOM 887 O CYS A 60 72.953 7.827 6.635 1.00 1.00 O ATOM 888 CB CYS A 60 76.387 8.195 5.759 1.00 1.00 C ATOM 889 SG CYS A 60 77.249 9.588 4.989 1.00 1.00 S ATOM 0 H CYS A 60 74.101 9.863 4.269 1.00 1.00 H new ATOM 0 HA CYS A 60 74.836 7.697 4.351 1.00 1.00 H new ATOM 0 HB2 CYS A 60 76.451 8.269 6.845 1.00 1.00 H new ATOM 0 HB3 CYS A 60 76.864 7.257 5.475 1.00 1.00 H new ATOM 894 N GLY A 61 74.589 6.389 6.904 1.00 1.00 N ATOM 895 CA GLY A 61 73.803 5.620 7.908 1.00 1.00 C ATOM 896 C GLY A 61 72.558 5.042 7.233 1.00 1.00 C ATOM 897 O GLY A 61 72.567 3.924 6.757 1.00 1.00 O ATOM 0 H GLY A 61 75.520 6.023 6.707 1.00 1.00 H new ATOM 0 HA2 GLY A 61 74.410 4.818 8.327 1.00 1.00 H new ATOM 0 HA3 GLY A 61 73.515 6.267 8.736 1.00 1.00 H new ATOM 901 N THR A 62 71.493 5.803 7.183 1.00 1.00 N ATOM 902 CA THR A 62 70.233 5.320 6.534 1.00 1.00 C ATOM 903 C THR A 62 70.126 3.796 6.646 1.00 1.00 C ATOM 904 O THR A 62 70.415 3.072 5.715 1.00 1.00 O ATOM 905 CB THR A 62 70.231 5.731 5.058 1.00 1.00 C ATOM 906 OG1 THR A 62 69.267 4.960 4.355 1.00 1.00 O ATOM 907 CG2 THR A 62 71.617 5.490 4.457 1.00 1.00 C ATOM 0 H THR A 62 71.441 6.746 7.567 1.00 1.00 H new ATOM 0 HA THR A 62 69.378 5.768 7.041 1.00 1.00 H new ATOM 0 HB THR A 62 69.981 6.789 4.975 1.00 1.00 H new ATOM 0 HG1 THR A 62 69.721 4.263 3.837 1.00 1.00 H new ATOM 0 HG21 THR A 62 71.614 5.783 3.407 1.00 1.00 H new ATOM 0 HG22 THR A 62 72.356 6.082 4.997 1.00 1.00 H new ATOM 0 HG23 THR A 62 71.870 4.433 4.538 1.00 1.00 H new ATOM 915 N ASP A 63 69.714 3.304 7.783 1.00 1.00 N ATOM 916 CA ASP A 63 69.591 1.829 7.957 1.00 1.00 C ATOM 917 C ASP A 63 68.484 1.292 7.046 1.00 1.00 C ATOM 918 O ASP A 63 68.079 0.152 7.156 1.00 1.00 O ATOM 919 CB ASP A 63 69.248 1.517 9.416 1.00 1.00 C ATOM 920 CG ASP A 63 69.445 0.023 9.679 1.00 1.00 C ATOM 921 OD1 ASP A 63 70.587 -0.405 9.724 1.00 1.00 O ATOM 922 OD2 ASP A 63 68.451 -0.668 9.830 1.00 1.00 O ATOM 0 H ASP A 63 69.457 3.860 8.599 1.00 1.00 H new ATOM 0 HA ASP A 63 70.536 1.354 7.693 1.00 1.00 H new ATOM 0 HB2 ASP A 63 69.883 2.101 10.083 1.00 1.00 H new ATOM 0 HB3 ASP A 63 68.217 1.801 9.627 1.00 1.00 H new ATOM 927 N ILE A 64 67.990 2.104 6.148 1.00 1.00 N ATOM 928 CA ILE A 64 66.907 1.641 5.230 1.00 1.00 C ATOM 929 C ILE A 64 67.195 2.117 3.812 1.00 1.00 C ATOM 930 O ILE A 64 66.919 1.427 2.851 1.00 1.00 O ATOM 931 CB ILE A 64 65.572 2.242 5.657 1.00 1.00 C ATOM 932 CG1 ILE A 64 65.268 1.833 7.100 1.00 1.00 C ATOM 933 CG2 ILE A 64 64.463 1.727 4.738 1.00 1.00 C ATOM 934 CD1 ILE A 64 64.071 2.634 7.617 1.00 1.00 C ATOM 0 H ILE A 64 68.290 3.069 6.011 1.00 1.00 H new ATOM 0 HA ILE A 64 66.865 0.552 5.269 1.00 1.00 H new ATOM 0 HB ILE A 64 65.625 3.329 5.589 1.00 1.00 H new ATOM 0 HG12 ILE A 64 65.053 0.766 7.149 1.00 1.00 H new ATOM 0 HG13 ILE A 64 66.139 2.012 7.731 1.00 1.00 H new ATOM 0 HG21 ILE A 64 63.509 2.157 5.043 1.00 1.00 H new ATOM 0 HG22 ILE A 64 64.679 2.017 3.710 1.00 1.00 H new ATOM 0 HG23 ILE A 64 64.410 0.640 4.805 1.00 1.00 H new ATOM 0 HD11 ILE A 64 63.855 2.342 8.645 1.00 1.00 H new ATOM 0 HD12 ILE A 64 64.303 3.698 7.583 1.00 1.00 H new ATOM 0 HD13 ILE A 64 63.201 2.432 6.992 1.00 1.00 H new ATOM 946 N THR A 65 67.727 3.301 3.676 1.00 1.00 N ATOM 947 CA THR A 65 68.010 3.843 2.317 1.00 1.00 C ATOM 948 C THR A 65 66.896 3.389 1.380 1.00 1.00 C ATOM 949 O THR A 65 67.135 2.969 0.267 1.00 1.00 O ATOM 950 CB THR A 65 69.357 3.316 1.814 1.00 1.00 C ATOM 951 OG1 THR A 65 70.393 3.778 2.669 1.00 1.00 O ATOM 952 CG2 THR A 65 69.605 3.819 0.391 1.00 1.00 C ATOM 0 H THR A 65 67.978 3.917 4.449 1.00 1.00 H new ATOM 0 HA THR A 65 68.054 4.932 2.351 1.00 1.00 H new ATOM 0 HB THR A 65 69.344 2.226 1.814 1.00 1.00 H new ATOM 0 HG1 THR A 65 71.173 4.028 2.132 1.00 1.00 H new ATOM 0 HG21 THR A 65 70.564 3.443 0.034 1.00 1.00 H new ATOM 0 HG22 THR A 65 68.810 3.464 -0.264 1.00 1.00 H new ATOM 0 HG23 THR A 65 69.618 4.909 0.388 1.00 1.00 H new ATOM 960 N VAL A 66 65.680 3.446 1.850 1.00 1.00 N ATOM 961 CA VAL A 66 64.528 2.989 1.027 1.00 1.00 C ATOM 962 C VAL A 66 64.653 1.477 0.844 1.00 1.00 C ATOM 963 O VAL A 66 63.811 0.713 1.272 1.00 1.00 O ATOM 964 CB VAL A 66 64.541 3.688 -0.338 1.00 1.00 C ATOM 965 CG1 VAL A 66 63.167 3.550 -0.996 1.00 1.00 C ATOM 966 CG2 VAL A 66 64.866 5.171 -0.147 1.00 1.00 C ATOM 0 H VAL A 66 65.435 3.793 2.777 1.00 1.00 H new ATOM 0 HA VAL A 66 63.589 3.235 1.523 1.00 1.00 H new ATOM 0 HB VAL A 66 65.297 3.227 -0.974 1.00 1.00 H new ATOM 0 HG11 VAL A 66 63.177 4.047 -1.966 1.00 1.00 H new ATOM 0 HG12 VAL A 66 62.933 2.494 -1.131 1.00 1.00 H new ATOM 0 HG13 VAL A 66 62.411 4.011 -0.360 1.00 1.00 H new ATOM 0 HG21 VAL A 66 64.876 5.669 -1.116 1.00 1.00 H new ATOM 0 HG22 VAL A 66 64.110 5.630 0.489 1.00 1.00 H new ATOM 0 HG23 VAL A 66 65.845 5.272 0.322 1.00 1.00 H new ATOM 976 N ILE A 67 65.718 1.044 0.228 1.00 1.00 N ATOM 977 CA ILE A 67 65.941 -0.418 0.026 1.00 1.00 C ATOM 978 C ILE A 67 67.409 -0.750 0.310 1.00 1.00 C ATOM 979 O ILE A 67 68.240 -0.700 -0.575 1.00 1.00 O ATOM 980 CB ILE A 67 65.616 -0.801 -1.419 1.00 1.00 C ATOM 981 CG1 ILE A 67 64.126 -0.575 -1.682 1.00 1.00 C ATOM 982 CG2 ILE A 67 65.954 -2.276 -1.645 1.00 1.00 C ATOM 983 CD1 ILE A 67 63.846 -0.706 -3.181 1.00 1.00 C ATOM 0 H ILE A 67 66.451 1.645 -0.148 1.00 1.00 H new ATOM 0 HA ILE A 67 65.293 -0.974 0.703 1.00 1.00 H new ATOM 0 HB ILE A 67 66.204 -0.185 -2.099 1.00 1.00 H new ATOM 0 HG12 ILE A 67 63.534 -1.301 -1.126 1.00 1.00 H new ATOM 0 HG13 ILE A 67 63.830 0.414 -1.331 1.00 1.00 H new ATOM 0 HG21 ILE A 67 65.722 -2.549 -2.675 1.00 1.00 H new ATOM 0 HG22 ILE A 67 67.015 -2.439 -1.456 1.00 1.00 H new ATOM 0 HG23 ILE A 67 65.366 -2.892 -0.965 1.00 1.00 H new ATOM 0 HD11 ILE A 67 62.784 -0.545 -3.368 1.00 1.00 H new ATOM 0 HD12 ILE A 67 64.427 0.038 -3.726 1.00 1.00 H new ATOM 0 HD13 ILE A 67 64.126 -1.704 -3.518 1.00 1.00 H new ATOM 995 N CYS A 68 67.744 -1.099 1.522 1.00 1.00 N ATOM 996 CA CYS A 68 69.165 -1.439 1.817 1.00 1.00 C ATOM 997 C CYS A 68 69.436 -2.881 1.377 1.00 1.00 C ATOM 998 O CYS A 68 68.569 -3.729 1.451 1.00 1.00 O ATOM 999 CB CYS A 68 69.428 -1.306 3.320 1.00 1.00 C ATOM 1000 SG CYS A 68 69.425 0.444 3.781 1.00 1.00 S ATOM 0 H CYS A 68 67.103 -1.163 2.313 1.00 1.00 H new ATOM 0 HA CYS A 68 69.823 -0.758 1.277 1.00 1.00 H new ATOM 0 HB2 CYS A 68 68.664 -1.842 3.883 1.00 1.00 H new ATOM 0 HB3 CYS A 68 70.387 -1.758 3.574 1.00 1.00 H new ATOM 1005 N PRO A 69 70.630 -3.166 0.921 1.00 1.00 N ATOM 1006 CA PRO A 69 71.003 -4.537 0.465 1.00 1.00 C ATOM 1007 C PRO A 69 71.040 -5.530 1.629 1.00 1.00 C ATOM 1008 O PRO A 69 71.497 -6.646 1.492 1.00 1.00 O ATOM 1009 CB PRO A 69 72.399 -4.363 -0.145 1.00 1.00 C ATOM 1010 CG PRO A 69 72.948 -3.118 0.471 1.00 1.00 C ATOM 1011 CD PRO A 69 71.750 -2.221 0.793 1.00 1.00 C ATOM 0 HA PRO A 69 70.279 -4.942 -0.242 1.00 1.00 H new ATOM 0 HB2 PRO A 69 73.033 -5.222 0.073 1.00 1.00 H new ATOM 0 HB3 PRO A 69 72.345 -4.274 -1.230 1.00 1.00 H new ATOM 0 HG2 PRO A 69 73.512 -3.350 1.375 1.00 1.00 H new ATOM 0 HG3 PRO A 69 73.633 -2.618 -0.213 1.00 1.00 H new ATOM 0 HD2 PRO A 69 71.907 -1.659 1.714 1.00 1.00 H new ATOM 0 HD3 PRO A 69 71.571 -1.493 0.002 1.00 1.00 H new ATOM 1019 N TRP A 70 70.565 -5.128 2.774 1.00 1.00 N ATOM 1020 CA TRP A 70 70.573 -6.046 3.945 1.00 1.00 C ATOM 1021 C TRP A 70 69.385 -7.010 3.846 1.00 1.00 C ATOM 1022 O TRP A 70 69.243 -7.914 4.646 1.00 1.00 O ATOM 1023 CB TRP A 70 70.476 -5.223 5.240 1.00 1.00 C ATOM 1024 CG TRP A 70 71.538 -5.666 6.195 1.00 1.00 C ATOM 1025 CD1 TRP A 70 71.745 -6.944 6.587 1.00 1.00 C ATOM 1026 CD2 TRP A 70 72.538 -4.859 6.882 1.00 1.00 C ATOM 1027 NE1 TRP A 70 72.808 -6.974 7.471 1.00 1.00 N ATOM 1028 CE2 TRP A 70 73.331 -5.715 7.686 1.00 1.00 C ATOM 1029 CE3 TRP A 70 72.832 -3.485 6.887 1.00 1.00 C ATOM 1030 CZ2 TRP A 70 74.379 -5.221 8.467 1.00 1.00 C ATOM 1031 CZ3 TRP A 70 73.884 -2.985 7.670 1.00 1.00 C ATOM 1032 CH2 TRP A 70 74.656 -3.850 8.458 1.00 1.00 C ATOM 0 H TRP A 70 70.172 -4.203 2.949 1.00 1.00 H new ATOM 0 HA TRP A 70 71.499 -6.621 3.955 1.00 1.00 H new ATOM 0 HB2 TRP A 70 70.591 -4.162 5.018 1.00 1.00 H new ATOM 0 HB3 TRP A 70 69.492 -5.349 5.691 1.00 1.00 H new ATOM 0 HD1 TRP A 70 71.173 -7.801 6.263 1.00 1.00 H new ATOM 0 HE1 TRP A 70 73.162 -7.823 7.911 1.00 1.00 H new ATOM 0 HE3 TRP A 70 72.244 -2.809 6.284 1.00 1.00 H new ATOM 0 HZ2 TRP A 70 74.970 -5.892 9.072 1.00 1.00 H new ATOM 0 HZ3 TRP A 70 74.100 -1.927 7.665 1.00 1.00 H new ATOM 0 HH2 TRP A 70 75.464 -3.458 9.058 1.00 1.00 H new ATOM 1043 N GLU A 71 68.529 -6.827 2.874 1.00 1.00 N ATOM 1044 CA GLU A 71 67.354 -7.738 2.739 1.00 1.00 C ATOM 1045 C GLU A 71 66.970 -7.872 1.264 1.00 1.00 C ATOM 1046 O GLU A 71 66.696 -8.953 0.782 1.00 1.00 O ATOM 1047 CB GLU A 71 66.171 -7.162 3.521 1.00 1.00 C ATOM 1048 CG GLU A 71 66.464 -7.239 5.021 1.00 1.00 C ATOM 1049 CD GLU A 71 65.182 -6.956 5.807 1.00 1.00 C ATOM 1050 OE1 GLU A 71 64.590 -5.913 5.580 1.00 1.00 O ATOM 1051 OE2 GLU A 71 64.814 -7.786 6.621 1.00 1.00 O ATOM 0 H GLU A 71 68.592 -6.090 2.172 1.00 1.00 H new ATOM 0 HA GLU A 71 67.613 -8.720 3.135 1.00 1.00 H new ATOM 0 HB2 GLU A 71 65.996 -6.127 3.227 1.00 1.00 H new ATOM 0 HB3 GLU A 71 65.263 -7.718 3.288 1.00 1.00 H new ATOM 0 HG2 GLU A 71 66.850 -8.226 5.277 1.00 1.00 H new ATOM 0 HG3 GLU A 71 67.235 -6.516 5.289 1.00 1.00 H new ATOM 1058 N ALA A 72 66.940 -6.784 0.545 1.00 1.00 N ATOM 1059 CA ALA A 72 66.563 -6.857 -0.896 1.00 1.00 C ATOM 1060 C ALA A 72 67.740 -7.396 -1.714 1.00 1.00 C ATOM 1061 O ALA A 72 67.779 -7.263 -2.921 1.00 1.00 O ATOM 1062 CB ALA A 72 66.192 -5.460 -1.398 1.00 1.00 C ATOM 0 H ALA A 72 67.159 -5.850 0.891 1.00 1.00 H new ATOM 0 HA ALA A 72 65.710 -7.525 -1.010 1.00 1.00 H new ATOM 0 HB1 ALA A 72 65.916 -5.513 -2.451 1.00 1.00 H new ATOM 0 HB2 ALA A 72 65.350 -5.078 -0.821 1.00 1.00 H new ATOM 0 HB3 ALA A 72 67.045 -4.792 -1.280 1.00 1.00 H new ATOM 1068 N CYS A 73 68.697 -8.005 -1.070 1.00 1.00 N ATOM 1069 CA CYS A 73 69.863 -8.551 -1.819 1.00 1.00 C ATOM 1070 C CYS A 73 69.406 -9.730 -2.681 1.00 1.00 C ATOM 1071 O CYS A 73 69.365 -10.859 -2.235 1.00 1.00 O ATOM 1072 CB CYS A 73 70.929 -9.026 -0.828 1.00 1.00 C ATOM 1073 SG CYS A 73 72.408 -9.544 -1.734 1.00 1.00 S ATOM 0 H CYS A 73 68.722 -8.148 -0.060 1.00 1.00 H new ATOM 0 HA CYS A 73 70.282 -7.774 -2.458 1.00 1.00 H new ATOM 0 HB2 CYS A 73 71.178 -8.224 -0.133 1.00 1.00 H new ATOM 0 HB3 CYS A 73 70.545 -9.855 -0.234 1.00 1.00 H new ATOM 1078 N ASN A 74 69.057 -9.476 -3.914 1.00 1.00 N ATOM 1079 CA ASN A 74 68.596 -10.581 -4.804 1.00 1.00 C ATOM 1080 C ASN A 74 69.071 -10.321 -6.236 1.00 1.00 C ATOM 1081 O ASN A 74 68.419 -9.641 -7.002 1.00 1.00 O ATOM 1082 CB ASN A 74 67.067 -10.648 -4.779 1.00 1.00 C ATOM 1083 CG ASN A 74 66.582 -10.696 -3.329 1.00 1.00 C ATOM 1084 OD1 ASN A 74 66.487 -9.586 -2.649 1.00 1.00 O flip ATOM 1085 ND2 ASN A 74 66.286 -11.753 -2.809 1.00 1.00 N flip ATOM 0 H ASN A 74 69.071 -8.551 -4.343 1.00 1.00 H new ATOM 0 HA ASN A 74 69.010 -11.526 -4.452 1.00 1.00 H new ATOM 0 HB2 ASN A 74 66.646 -9.780 -5.286 1.00 1.00 H new ATOM 0 HB3 ASN A 74 66.722 -11.530 -5.318 1.00 1.00 H new ATOM 0 HD21 ASN A 74 66.360 -12.621 -3.340 1.00 1.00 H new ATOM 0 HD22 ASN A 74 65.963 -11.773 -1.842 1.00 1.00 H new ATOM 1092 N HIS A 75 70.201 -10.863 -6.602 1.00 1.00 N ATOM 1093 CA HIS A 75 70.720 -10.656 -7.985 1.00 1.00 C ATOM 1094 C HIS A 75 71.264 -9.232 -8.125 1.00 1.00 C ATOM 1095 O HIS A 75 70.574 -8.265 -7.874 1.00 1.00 O ATOM 1096 CB HIS A 75 69.586 -10.877 -8.995 1.00 1.00 C ATOM 1097 CG HIS A 75 70.154 -11.423 -10.276 1.00 1.00 C ATOM 1098 ND1 HIS A 75 70.713 -10.604 -11.245 1.00 1.00 N ATOM 1099 CD2 HIS A 75 70.258 -12.705 -10.761 1.00 1.00 C ATOM 1100 CE1 HIS A 75 71.124 -11.391 -12.256 1.00 1.00 C ATOM 1101 NE2 HIS A 75 70.871 -12.677 -12.010 1.00 1.00 N ATOM 0 H HIS A 75 70.789 -11.442 -6.002 1.00 1.00 H new ATOM 0 HA HIS A 75 71.523 -11.367 -8.180 1.00 1.00 H new ATOM 0 HB2 HIS A 75 68.851 -11.570 -8.586 1.00 1.00 H new ATOM 0 HB3 HIS A 75 69.067 -9.938 -9.186 1.00 1.00 H new ATOM 0 HD2 HIS A 75 69.917 -13.595 -10.252 1.00 1.00 H new ATOM 0 HE1 HIS A 75 71.599 -11.027 -13.155 1.00 1.00 H new ATOM 0 HE2 HIS A 75 71.082 -13.473 -12.611 1.00 1.00 H new ATOM 1110 N CYS A 76 72.500 -9.100 -8.528 1.00 1.00 N ATOM 1111 CA CYS A 76 73.095 -7.743 -8.688 1.00 1.00 C ATOM 1112 C CYS A 76 74.615 -7.869 -8.817 1.00 1.00 C ATOM 1113 O CYS A 76 75.192 -7.540 -9.835 1.00 1.00 O ATOM 1114 CB CYS A 76 72.745 -6.886 -7.465 1.00 1.00 C ATOM 1115 SG CYS A 76 74.129 -5.784 -7.082 1.00 1.00 S ATOM 0 H CYS A 76 73.123 -9.875 -8.753 1.00 1.00 H new ATOM 0 HA CYS A 76 72.696 -7.269 -9.584 1.00 1.00 H new ATOM 0 HB2 CYS A 76 71.846 -6.302 -7.662 1.00 1.00 H new ATOM 0 HB3 CYS A 76 72.529 -7.526 -6.610 1.00 1.00 H new ATOM 1120 N GLU A 77 75.268 -8.342 -7.791 1.00 1.00 N ATOM 1121 CA GLU A 77 76.750 -8.486 -7.852 1.00 1.00 C ATOM 1122 C GLU A 77 77.116 -9.536 -8.899 1.00 1.00 C ATOM 1123 O GLU A 77 76.272 -10.027 -9.624 1.00 1.00 O ATOM 1124 CB GLU A 77 77.284 -8.925 -6.482 1.00 1.00 C ATOM 1125 CG GLU A 77 76.303 -9.908 -5.840 1.00 1.00 C ATOM 1126 CD GLU A 77 75.963 -11.016 -6.838 1.00 1.00 C ATOM 1127 OE1 GLU A 77 76.734 -11.957 -6.934 1.00 1.00 O ATOM 1128 OE2 GLU A 77 74.937 -10.905 -7.490 1.00 1.00 O ATOM 0 HA GLU A 77 77.194 -7.528 -8.123 1.00 1.00 H new ATOM 0 HB2 GLU A 77 78.262 -9.393 -6.595 1.00 1.00 H new ATOM 0 HB3 GLU A 77 77.418 -8.056 -5.837 1.00 1.00 H new ATOM 0 HG2 GLU A 77 76.740 -10.338 -4.939 1.00 1.00 H new ATOM 0 HG3 GLU A 77 75.395 -9.386 -5.537 1.00 1.00 H new ATOM 1135 N LEU A 78 78.370 -9.891 -8.976 1.00 1.00 N ATOM 1136 CA LEU A 78 78.802 -10.917 -9.965 1.00 1.00 C ATOM 1137 C LEU A 78 79.041 -12.237 -9.229 1.00 1.00 C ATOM 1138 O LEU A 78 78.801 -13.297 -9.764 1.00 1.00 O ATOM 1139 CB LEU A 78 80.096 -10.449 -10.650 1.00 1.00 C ATOM 1140 CG LEU A 78 80.044 -10.792 -12.140 1.00 1.00 C ATOM 1141 CD1 LEU A 78 79.750 -12.283 -12.311 1.00 1.00 C ATOM 1142 CD2 LEU A 78 78.938 -9.975 -12.812 1.00 1.00 C ATOM 0 H LEU A 78 79.116 -9.512 -8.393 1.00 1.00 H new ATOM 0 HA LEU A 78 78.033 -11.059 -10.725 1.00 1.00 H new ATOM 0 HB2 LEU A 78 80.220 -9.374 -10.519 1.00 1.00 H new ATOM 0 HB3 LEU A 78 80.958 -10.928 -10.186 1.00 1.00 H new ATOM 0 HG LEU A 78 81.003 -10.556 -12.601 1.00 1.00 H new ATOM 0 HD11 LEU A 78 79.713 -12.527 -13.373 1.00 1.00 H new ATOM 0 HD12 LEU A 78 80.536 -12.866 -11.832 1.00 1.00 H new ATOM 0 HD13 LEU A 78 78.791 -12.520 -11.851 1.00 1.00 H new ATOM 0 HD21 LEU A 78 78.900 -10.218 -13.874 1.00 1.00 H new ATOM 0 HD22 LEU A 78 77.979 -10.212 -12.351 1.00 1.00 H new ATOM 0 HD23 LEU A 78 79.146 -8.912 -12.691 1.00 1.00 H new ATOM 1154 N HIS A 79 79.502 -12.153 -7.999 1.00 1.00 N ATOM 1155 CA HIS A 79 79.771 -13.367 -7.150 1.00 1.00 C ATOM 1156 C HIS A 79 81.279 -13.588 -7.007 1.00 1.00 C ATOM 1157 O HIS A 79 82.077 -12.942 -7.652 1.00 1.00 O ATOM 1158 CB HIS A 79 79.120 -14.635 -7.727 1.00 1.00 C ATOM 1159 CG HIS A 79 79.996 -15.207 -8.808 1.00 1.00 C ATOM 1160 ND1 HIS A 79 80.925 -14.629 -9.638 1.00 1.00 N flip ATOM 1161 CD2 HIS A 79 79.972 -16.553 -9.143 1.00 1.00 C flip ATOM 1162 CE1 HIS A 79 81.468 -15.602 -10.473 1.00 1.00 C flip ATOM 1163 NE2 HIS A 79 80.861 -16.741 -10.134 1.00 1.00 N flip ATOM 0 H HIS A 79 79.709 -11.269 -7.535 1.00 1.00 H new ATOM 0 HA HIS A 79 79.328 -13.179 -6.172 1.00 1.00 H new ATOM 0 HB2 HIS A 79 78.973 -15.372 -6.937 1.00 1.00 H new ATOM 0 HB3 HIS A 79 78.135 -14.399 -8.130 1.00 1.00 H new ATOM 0 HD2 HIS A 79 79.352 -17.312 -8.690 1.00 1.00 H new ATOM 0 HE1 HIS A 79 82.221 -15.464 -11.234 1.00 1.00 H new ATOM 0 HE2 HIS A 79 81.048 -17.643 -10.572 1.00 1.00 H new ATOM 1172 N GLU A 80 81.649 -14.502 -6.146 1.00 1.00 N ATOM 1173 CA GLU A 80 83.090 -14.824 -5.889 1.00 1.00 C ATOM 1174 C GLU A 80 83.196 -15.293 -4.435 1.00 1.00 C ATOM 1175 O GLU A 80 82.722 -16.355 -4.084 1.00 1.00 O ATOM 1176 CB GLU A 80 83.986 -13.585 -6.101 1.00 1.00 C ATOM 1177 CG GLU A 80 84.524 -13.577 -7.533 1.00 1.00 C ATOM 1178 CD GLU A 80 85.956 -14.117 -7.544 1.00 1.00 C ATOM 1179 OE1 GLU A 80 86.826 -13.443 -7.018 1.00 1.00 O ATOM 1180 OE2 GLU A 80 86.157 -15.195 -8.079 1.00 1.00 O ATOM 0 H GLU A 80 80.994 -15.055 -5.594 1.00 1.00 H new ATOM 0 HA GLU A 80 83.428 -15.594 -6.583 1.00 1.00 H new ATOM 0 HB2 GLU A 80 83.416 -12.675 -5.911 1.00 1.00 H new ATOM 0 HB3 GLU A 80 84.813 -13.597 -5.391 1.00 1.00 H new ATOM 0 HG2 GLU A 80 83.889 -14.188 -8.175 1.00 1.00 H new ATOM 0 HG3 GLU A 80 84.503 -12.564 -7.935 1.00 1.00 H new ATOM 1187 N LEU A 81 83.780 -14.499 -3.581 1.00 1.00 N ATOM 1188 CA LEU A 81 83.879 -14.885 -2.145 1.00 1.00 C ATOM 1189 C LEU A 81 82.774 -14.144 -1.389 1.00 1.00 C ATOM 1190 O LEU A 81 82.126 -14.681 -0.512 1.00 1.00 O ATOM 1191 CB LEU A 81 85.252 -14.477 -1.594 1.00 1.00 C ATOM 1192 CG LEU A 81 86.283 -15.555 -1.933 1.00 1.00 C ATOM 1193 CD1 LEU A 81 85.964 -16.831 -1.151 1.00 1.00 C ATOM 1194 CD2 LEU A 81 86.232 -15.853 -3.433 1.00 1.00 C ATOM 0 H LEU A 81 84.194 -13.597 -3.816 1.00 1.00 H new ATOM 0 HA LEU A 81 83.766 -15.963 -2.027 1.00 1.00 H new ATOM 0 HB2 LEU A 81 85.557 -13.521 -2.021 1.00 1.00 H new ATOM 0 HB3 LEU A 81 85.196 -14.340 -0.514 1.00 1.00 H new ATOM 0 HG LEU A 81 87.279 -15.203 -1.664 1.00 1.00 H new ATOM 0 HD11 LEU A 81 86.699 -17.599 -1.393 1.00 1.00 H new ATOM 0 HD12 LEU A 81 85.997 -16.621 -0.082 1.00 1.00 H new ATOM 0 HD13 LEU A 81 84.968 -17.184 -1.421 1.00 1.00 H new ATOM 0 HD21 LEU A 81 86.966 -16.621 -3.677 1.00 1.00 H new ATOM 0 HD22 LEU A 81 85.236 -16.205 -3.700 1.00 1.00 H new ATOM 0 HD23 LEU A 81 86.458 -14.945 -3.992 1.00 1.00 H new ATOM 1206 N ALA A 82 82.553 -12.907 -1.749 1.00 1.00 N ATOM 1207 CA ALA A 82 81.489 -12.098 -1.092 1.00 1.00 C ATOM 1208 C ALA A 82 80.109 -12.639 -1.486 1.00 1.00 C ATOM 1209 O ALA A 82 79.482 -12.138 -2.399 1.00 1.00 O ATOM 1210 CB ALA A 82 81.612 -10.642 -1.555 1.00 1.00 C ATOM 0 H ALA A 82 83.072 -12.419 -2.479 1.00 1.00 H new ATOM 0 HA ALA A 82 81.603 -12.156 -0.010 1.00 1.00 H new ATOM 0 HB1 ALA A 82 80.837 -10.042 -1.079 1.00 1.00 H new ATOM 0 HB2 ALA A 82 82.592 -10.254 -1.278 1.00 1.00 H new ATOM 0 HB3 ALA A 82 81.495 -10.593 -2.638 1.00 1.00 H new ATOM 1216 N GLN A 83 79.622 -13.644 -0.808 1.00 1.00 N ATOM 1217 CA GLN A 83 78.276 -14.187 -1.158 1.00 1.00 C ATOM 1218 C GLN A 83 77.250 -13.059 -1.029 1.00 1.00 C ATOM 1219 O GLN A 83 76.614 -12.658 -1.985 1.00 1.00 O ATOM 1220 CB GLN A 83 77.921 -15.329 -0.194 1.00 1.00 C ATOM 1221 CG GLN A 83 77.059 -16.362 -0.922 1.00 1.00 C ATOM 1222 CD GLN A 83 75.781 -15.694 -1.431 1.00 1.00 C ATOM 1223 OE1 GLN A 83 75.810 -15.024 -2.551 1.00 1.00 O flip ATOM 1224 NE2 GLN A 83 74.744 -15.782 -0.803 1.00 1.00 N flip ATOM 0 H GLN A 83 80.093 -14.110 -0.033 1.00 1.00 H new ATOM 0 HA GLN A 83 78.276 -14.572 -2.178 1.00 1.00 H new ATOM 0 HB2 GLN A 83 78.830 -15.798 0.181 1.00 1.00 H new ATOM 0 HB3 GLN A 83 77.385 -14.936 0.670 1.00 1.00 H new ATOM 0 HG2 GLN A 83 77.614 -16.791 -1.756 1.00 1.00 H new ATOM 0 HG3 GLN A 83 76.810 -17.182 -0.249 1.00 1.00 H new ATOM 0 HE21 GLN A 83 74.721 -16.305 0.072 1.00 1.00 H new ATOM 0 HE22 GLN A 83 73.897 -15.333 -1.151 1.00 1.00 H new ATOM 1233 N TYR A 84 77.112 -12.536 0.157 1.00 1.00 N ATOM 1234 CA TYR A 84 76.163 -11.414 0.406 1.00 1.00 C ATOM 1235 C TYR A 84 76.991 -10.171 0.696 1.00 1.00 C ATOM 1236 O TYR A 84 76.504 -9.058 0.702 1.00 1.00 O ATOM 1237 CB TYR A 84 75.318 -11.747 1.636 1.00 1.00 C ATOM 1238 CG TYR A 84 76.191 -12.411 2.674 1.00 1.00 C ATOM 1239 CD1 TYR A 84 76.976 -11.631 3.531 1.00 1.00 C ATOM 1240 CD2 TYR A 84 76.215 -13.807 2.779 1.00 1.00 C ATOM 1241 CE1 TYR A 84 77.785 -12.247 4.494 1.00 1.00 C ATOM 1242 CE2 TYR A 84 77.024 -14.423 3.741 1.00 1.00 C ATOM 1243 CZ TYR A 84 77.809 -13.643 4.599 1.00 1.00 C ATOM 1244 OH TYR A 84 78.606 -14.250 5.547 1.00 1.00 O ATOM 0 H TYR A 84 77.627 -12.845 0.981 1.00 1.00 H new ATOM 0 HA TYR A 84 75.511 -11.255 -0.453 1.00 1.00 H new ATOM 0 HB2 TYR A 84 74.874 -10.839 2.044 1.00 1.00 H new ATOM 0 HB3 TYR A 84 74.496 -12.407 1.359 1.00 1.00 H new ATOM 0 HD1 TYR A 84 76.958 -10.554 3.450 1.00 1.00 H new ATOM 0 HD2 TYR A 84 75.609 -14.409 2.118 1.00 1.00 H new ATOM 0 HE1 TYR A 84 78.390 -11.645 5.156 1.00 1.00 H new ATOM 0 HE2 TYR A 84 77.043 -15.500 3.821 1.00 1.00 H new ATOM 0 HH TYR A 84 78.504 -15.223 5.486 1.00 1.00 H new ATOM 1254 N GLY A 85 78.247 -10.374 0.957 1.00 1.00 N ATOM 1255 CA GLY A 85 79.152 -9.244 1.278 1.00 1.00 C ATOM 1256 C GLY A 85 79.893 -9.588 2.564 1.00 1.00 C ATOM 1257 O GLY A 85 80.319 -10.706 2.763 1.00 1.00 O ATOM 0 H GLY A 85 78.692 -11.292 0.961 1.00 1.00 H new ATOM 0 HA2 GLY A 85 79.858 -9.077 0.464 1.00 1.00 H new ATOM 0 HA3 GLY A 85 78.583 -8.322 1.400 1.00 1.00 H new ATOM 1261 N ILE A 86 80.030 -8.640 3.438 1.00 1.00 N ATOM 1262 CA ILE A 86 80.725 -8.887 4.732 1.00 1.00 C ATOM 1263 C ILE A 86 80.731 -7.568 5.503 1.00 1.00 C ATOM 1264 O ILE A 86 81.541 -7.344 6.378 1.00 1.00 O ATOM 1265 CB ILE A 86 82.173 -9.362 4.489 1.00 1.00 C ATOM 1266 CG1 ILE A 86 82.678 -8.793 3.161 1.00 1.00 C ATOM 1267 CG2 ILE A 86 82.207 -10.890 4.433 1.00 1.00 C ATOM 1268 CD1 ILE A 86 84.208 -8.754 3.171 1.00 1.00 C ATOM 0 H ILE A 86 79.686 -7.688 3.313 1.00 1.00 H new ATOM 0 HA ILE A 86 80.211 -9.666 5.295 1.00 1.00 H new ATOM 0 HB ILE A 86 82.811 -9.014 5.302 1.00 1.00 H new ATOM 0 HG12 ILE A 86 82.325 -9.407 2.332 1.00 1.00 H new ATOM 0 HG13 ILE A 86 82.279 -7.790 3.008 1.00 1.00 H new ATOM 0 HG21 ILE A 86 83.230 -11.225 4.261 1.00 1.00 H new ATOM 0 HG22 ILE A 86 81.846 -11.297 5.377 1.00 1.00 H new ATOM 0 HG23 ILE A 86 81.570 -11.239 3.620 1.00 1.00 H new ATOM 0 HD11 ILE A 86 84.568 -8.349 2.225 1.00 1.00 H new ATOM 0 HD12 ILE A 86 84.551 -8.122 3.990 1.00 1.00 H new ATOM 0 HD13 ILE A 86 84.597 -9.763 3.305 1.00 1.00 H new ATOM 1280 N CYS A 87 79.825 -6.691 5.164 1.00 1.00 N ATOM 1281 CA CYS A 87 79.753 -5.371 5.853 1.00 1.00 C ATOM 1282 C CYS A 87 79.144 -5.558 7.246 1.00 1.00 C ATOM 1283 CB CYS A 87 78.878 -4.418 5.030 1.00 1.00 C ATOM 1284 SG CYS A 87 79.806 -2.908 4.665 1.00 1.00 S ATOM 0 H CYS A 87 79.127 -6.834 4.434 1.00 1.00 H new ATOM 0 HA CYS A 87 80.754 -4.951 5.950 1.00 1.00 H new ATOM 0 HB2 CYS A 87 78.569 -4.901 4.103 1.00 1.00 H new ATOM 0 HB3 CYS A 87 77.969 -4.175 5.581 1.00 1.00 H new TER 1289 CYS A 87 HETATM 1290 C1C RCY A 110 54.714 -6.255 2.658 1.00 1.00 C HETATM 1291 O1G RCY A 110 55.717 -8.142 6.919 1.00 1.00 O HETATM 1292 O1H RCY A 110 54.503 -4.179 4.655 1.00 1.00 O HETATM 1293 O1J RCY A 110 55.786 -3.443 2.560 1.00 1.00 O HETATM 1294 C1L RCY A 110 54.090 -6.376 7.389 1.00 1.00 C HETATM 1295 C1M RCY A 110 57.902 -5.974 4.516 1.00 1.00 C HETATM 1296 C1P RCY A 110 55.213 -7.065 6.604 1.00 1.00 C HETATM 1297 C1Q RCY A 110 54.783 -4.990 5.537 1.00 1.00 C HETATM 1298 N1R RCY A 110 55.627 -6.248 5.381 1.00 1.00 N HETATM 1299 C1S RCY A 110 54.347 -4.919 6.990 1.00 1.00 C HETATM 1300 C1U RCY A 110 56.630 -6.594 4.278 1.00 1.00 C HETATM 1301 C1V RCY A 110 57.059 -6.660 1.784 1.00 1.00 C HETATM 1302 N1V RCY A 110 56.532 -4.585 3.082 1.00 1.00 N HETATM 1303 C1W RCY A 110 57.807 -4.562 3.923 1.00 1.00 C HETATM 1304 C1X RCY A 110 56.211 -6.063 2.908 1.00 1.00 C HETATM 1305 C1Y RCY A 110 59.024 -4.265 3.043 1.00 1.00 C HETATM 1306 C1Z RCY A 110 57.664 -3.507 5.020 1.00 1.00 C HETATM 0 H1ZB RCY A 110 56.760 -3.702 5.597 1.00 1.00 H new HETATM 0 H1ZA RCY A 110 58.531 -3.548 5.679 1.00 1.00 H new HETATM 0 H1VB RCY A 110 56.861 -7.729 1.707 1.00 1.00 H new HETATM 0 H1MA RCY A 110 58.122 -5.934 5.583 1.00 1.00 H new HETATM 0 H1LA RCY A 110 53.100 -6.722 7.092 1.00 1.00 H new HETATM 0 H1CB RCY A 110 54.471 -7.317 2.702 1.00 1.00 H new HETATM 0 H1CA RCY A 110 54.146 -5.721 3.420 1.00 1.00 H new HETATM 0 H1Z RCY A 110 57.599 -2.518 4.567 1.00 1.00 H new HETATM 0 H1Y RCY A 110 58.939 -3.259 2.631 1.00 1.00 H new HETATM 0 H1U RCY A 110 56.677 -7.683 4.289 1.00 1.00 H new HETATM 0 H1S RCY A 110 55.119 -4.468 7.614 1.00 1.00 H new HETATM 0 H1L RCY A 110 54.174 -6.535 8.464 1.00 1.00 H new HETATM 0 H1C RCY A 110 54.457 -5.865 1.673 1.00 1.00 H new HETATM 1309 C1C RCY A 121 62.151 -0.218 -8.180 1.00 1.00 C HETATM 1310 O1G RCY A 121 62.789 1.510 -10.533 1.00 1.00 O HETATM 1311 O1H RCY A 121 65.065 -2.601 -10.996 1.00 1.00 O HETATM 1312 O1J RCY A 121 62.417 -3.207 -7.934 1.00 1.00 O HETATM 1313 C1L RCY A 121 63.061 -0.053 -12.396 1.00 1.00 C HETATM 1314 C1M RCY A 121 65.692 -1.268 -8.407 1.00 1.00 C HETATM 1315 C1P RCY A 121 63.287 0.475 -10.974 1.00 1.00 C HETATM 1316 C1Q RCY A 121 64.610 -1.480 -11.214 1.00 1.00 C HETATM 1317 N1R RCY A 121 64.207 -0.444 -10.172 1.00 1.00 N HETATM 1318 C1S RCY A 121 64.344 -0.871 -12.579 1.00 1.00 C HETATM 1319 C1U RCY A 121 64.624 -0.356 -8.702 1.00 1.00 C HETATM 1320 C1V RCY A 121 63.837 -0.401 -6.296 1.00 1.00 C HETATM 1321 N1V RCY A 121 63.546 -2.282 -7.924 1.00 1.00 N HETATM 1322 C1W RCY A 121 65.028 -2.614 -8.091 1.00 1.00 C HETATM 1323 C1X RCY A 121 63.509 -0.771 -7.744 1.00 1.00 C HETATM 1324 C1Y RCY A 121 65.594 -3.202 -6.795 1.00 1.00 C HETATM 1325 C1Z RCY A 121 65.193 -3.600 -9.247 1.00 1.00 C HETATM 0 H1ZB RCY A 121 64.732 -3.189 -10.145 1.00 1.00 H new HETATM 0 H1ZA RCY A 121 66.254 -3.772 -9.430 1.00 1.00 H new HETATM 0 H1YB RCY A 121 66.668 -3.355 -6.903 1.00 1.00 H new HETATM 0 H1YA RCY A 121 65.407 -2.514 -5.971 1.00 1.00 H new HETATM 0 H1VB RCY A 121 63.862 0.684 -6.194 1.00 1.00 H new HETATM 0 H1VA RCY A 121 63.074 -0.810 -5.634 1.00 1.00 H new HETATM 0 H1MA RCY A 121 66.372 -1.358 -9.254 1.00 1.00 H new HETATM 0 H1CB RCY A 121 62.193 0.871 -8.205 1.00 1.00 H new HETATM 0 H1CA RCY A 121 61.907 -0.595 -9.173 1.00 1.00 H new HETATM 0 H1Z RCY A 121 64.712 -4.544 -8.992 1.00 1.00 H new HETATM 0 H1Y RCY A 121 65.111 -4.157 -6.587 1.00 1.00 H new HETATM 0 H1V RCY A 121 64.809 -0.813 -6.027 1.00 1.00 H new HETATM 0 H1U RCY A 121 64.904 0.688 -8.564 1.00 1.00 H new HETATM 0 H1S RCY A 121 65.173 -0.241 -12.900 1.00 1.00 H new HETATM 0 H1M RCY A 121 66.282 -0.916 -7.561 1.00 1.00 H new HETATM 0 H1C RCY A 121 61.385 -0.536 -7.473 1.00 1.00 H new HETATM 1328 C1C RCY A 130 78.470 11.113 -1.376 1.00 1.00 C HETATM 1329 O1G RCY A 130 81.054 11.200 -2.420 1.00 1.00 O HETATM 1330 O1H RCY A 130 79.328 10.024 -6.655 1.00 1.00 O HETATM 1331 O1J RCY A 130 76.405 9.083 -0.549 1.00 1.00 O HETATM 1332 C1L RCY A 130 81.934 11.381 -4.696 1.00 1.00 C HETATM 1333 C1M RCY A 130 78.062 8.491 -3.956 1.00 1.00 C HETATM 1334 C1P RCY A 130 80.911 10.987 -3.623 1.00 1.00 C HETATM 1335 C1Q RCY A 130 80.086 10.195 -5.702 1.00 1.00 C HETATM 1336 N1R RCY A 130 79.692 10.297 -4.234 1.00 1.00 N HETATM 1337 C1S RCY A 130 81.595 10.345 -5.774 1.00 1.00 C HETATM 1338 C1U RCY A 130 78.404 9.826 -3.556 1.00 1.00 C HETATM 1339 C1V RCY A 130 79.784 8.958 -1.619 1.00 1.00 C HETATM 1340 N1V RCY A 130 77.281 8.933 -1.707 1.00 1.00 N HETATM 1341 C1W RCY A 130 77.146 7.938 -2.858 1.00 1.00 C HETATM 1342 C1X RCY A 130 78.533 9.734 -2.037 1.00 1.00 C HETATM 1343 C1Y RCY A 130 77.611 6.546 -2.419 1.00 1.00 C HETATM 1344 C1Z RCY A 130 75.688 7.899 -3.317 1.00 1.00 C HETATM 0 H1ZB RCY A 130 75.358 8.907 -3.568 1.00 1.00 H new HETATM 0 H1ZA RCY A 130 75.600 7.260 -4.196 1.00 1.00 H new HETATM 0 H1YB RCY A 130 77.588 5.869 -3.273 1.00 1.00 H new HETATM 0 H1VB RCY A 130 80.673 9.517 -1.910 1.00 1.00 H new HETATM 0 H1VA RCY A 130 79.781 8.818 -0.538 1.00 1.00 H new HETATM 0 H1MA RCY A 130 77.556 8.491 -4.922 1.00 1.00 H new HETATM 0 H1LA RCY A 130 81.800 12.405 -5.044 1.00 1.00 H new HETATM 0 H1CB RCY A 130 79.284 11.734 -1.751 1.00 1.00 H new HETATM 0 H1CA RCY A 130 77.516 11.585 -1.610 1.00 1.00 H new HETATM 0 H1Z RCY A 130 75.065 7.502 -2.516 1.00 1.00 H new HETATM 0 H1V RCY A 130 79.790 7.985 -2.110 1.00 1.00 H new HETATM 0 H1U RCY A 130 77.659 10.565 -3.851 1.00 1.00 H new HETATM 0 H1S RCY A 130 82.097 9.396 -5.584 1.00 1.00 H new HETATM 0 H1M RCY A 130 78.955 7.876 -4.064 1.00 1.00 H new HETATM 0 H1L RCY A 130 82.962 11.296 -4.344 1.00 1.00 H new HETATM 0 H1C RCY A 130 78.565 11.003 -0.296 1.00 1.00 H new HETATM 1347 C1C RCY A 138 85.800 4.920 3.249 1.00 1.00 C HETATM 1348 O1G RCY A 138 83.812 4.901 -0.823 1.00 1.00 O HETATM 1349 O1H RCY A 138 87.615 2.798 1.025 1.00 1.00 O HETATM 1350 O1J RCY A 138 83.525 6.751 2.513 1.00 1.00 O HETATM 1351 C1L RCY A 138 86.135 4.691 -1.563 1.00 1.00 C HETATM 1352 C1M RCY A 138 83.143 3.091 1.433 1.00 1.00 C HETATM 1353 C1P RCY A 138 84.954 4.500 -0.603 1.00 1.00 C HETATM 1354 C1Q RCY A 138 86.875 3.604 0.462 1.00 1.00 C HETATM 1355 N1R RCY A 138 85.372 3.750 0.661 1.00 1.00 N HETATM 1356 C1S RCY A 138 87.296 4.641 -0.563 1.00 1.00 C HETATM 1357 C1U RCY A 138 84.511 3.265 1.829 1.00 1.00 C HETATM 1358 C1V RCY A 138 83.829 3.665 4.235 1.00 1.00 C HETATM 1359 N1V RCY A 138 83.486 5.299 2.368 1.00 1.00 N HETATM 1360 C1W RCY A 138 82.479 4.467 1.575 1.00 1.00 C HETATM 1361 C1X RCY A 138 84.439 4.277 2.972 1.00 1.00 C HETATM 1362 C1Y RCY A 138 81.159 4.351 2.342 1.00 1.00 C HETATM 1363 C1Z RCY A 138 82.255 5.119 0.211 1.00 1.00 C HETATM 0 H1ZB RCY A 138 83.213 5.247 -0.293 1.00 1.00 H new HETATM 0 H1ZA RCY A 138 81.609 4.483 -0.394 1.00 1.00 H new HETATM 0 H1YB RCY A 138 80.483 3.686 1.804 1.00 1.00 H new HETATM 0 H1VB RCY A 138 84.496 2.896 4.626 1.00 1.00 H new HETATM 0 H1VA RCY A 138 83.692 4.443 4.986 1.00 1.00 H new HETATM 0 H1LA RCY A 138 86.195 3.902 -2.313 1.00 1.00 H new HETATM 0 H1CB RCY A 138 86.519 4.147 3.522 1.00 1.00 H new HETATM 0 H1CA RCY A 138 86.146 5.438 2.355 1.00 1.00 H new HETATM 0 H1Z RCY A 138 81.783 6.092 0.346 1.00 1.00 H new HETATM 0 H1Y RCY A 138 80.703 5.337 2.433 1.00 1.00 H new HETATM 0 H1V RCY A 138 82.864 3.220 3.994 1.00 1.00 H new HETATM 0 H1U RCY A 138 84.985 2.336 2.145 1.00 1.00 H new HETATM 0 H1S RCY A 138 87.461 5.613 -0.098 1.00 1.00 H new HETATM 0 H1L RCY A 138 86.087 5.638 -2.100 1.00 1.00 H new HETATM 0 H1C RCY A 138 85.706 5.633 4.068 1.00 1.00 H new HETATM 1366 C1C RCY A 150 80.285 -1.057 4.134 1.00 1.00 C HETATM 1367 O1G RCY A 150 84.396 0.136 6.636 1.00 1.00 O HETATM 1368 O1H RCY A 150 79.945 1.150 5.429 1.00 1.00 O HETATM 1369 O1J RCY A 150 79.481 1.521 2.801 1.00 1.00 O HETATM 1370 C1L RCY A 150 82.507 1.097 7.858 1.00 1.00 C HETATM 1371 C1M RCY A 150 83.253 0.933 3.171 1.00 1.00 C HETATM 1372 C1P RCY A 150 83.231 0.531 6.630 1.00 1.00 C HETATM 1373 C1Q RCY A 150 81.071 1.207 5.920 1.00 1.00 C HETATM 1374 N1R RCY A 150 82.326 0.519 5.399 1.00 1.00 N HETATM 1375 C1S RCY A 150 81.467 1.983 7.164 1.00 1.00 C HETATM 1376 C1U RCY A 150 82.599 -0.038 4.001 1.00 1.00 C HETATM 1377 C1V RCY A 150 81.610 -1.193 1.977 1.00 1.00 C HETATM 1378 N1V RCY A 150 80.853 1.024 2.861 1.00 1.00 N HETATM 1379 C1W RCY A 150 82.138 1.792 2.561 1.00 1.00 C HETATM 1380 C1X RCY A 150 81.320 -0.375 3.237 1.00 1.00 C HETATM 1381 C1Y RCY A 150 82.335 1.936 1.049 1.00 1.00 C HETATM 1382 C1Z RCY A 150 82.068 3.166 3.228 1.00 1.00 C HETATM 0 H1ZB RCY A 150 81.868 3.044 4.293 1.00 1.00 H new HETATM 0 H1ZA RCY A 150 83.017 3.684 3.094 1.00 1.00 H new HETATM 0 H1YA RCY A 150 82.316 0.950 0.584 1.00 1.00 H new HETATM 0 H1VB RCY A 150 81.996 -2.172 2.260 1.00 1.00 H new HETATM 0 H1VA RCY A 150 80.691 -1.317 1.404 1.00 1.00 H new HETATM 0 H1MA RCY A 150 83.941 1.545 3.755 1.00 1.00 H new HETATM 0 H1LA RCY A 150 82.051 0.318 8.469 1.00 1.00 H new HETATM 0 H1CA RCY A 150 80.025 -0.394 4.959 1.00 1.00 H new HETATM 0 H1Y RCY A 150 81.534 2.549 0.634 1.00 1.00 H new HETATM 0 H1V RCY A 150 82.350 -0.673 1.368 1.00 1.00 H new HETATM 0 H1U RCY A 150 83.205 -0.926 4.179 1.00 1.00 H new HETATM 0 H1S RCY A 150 81.884 2.957 6.908 1.00 1.00 H new HETATM 0 H1M RCY A 150 83.841 0.447 2.392 1.00 1.00 H new HETATM 0 H1L RCY A 150 83.171 1.665 8.509 1.00 1.00 H new HETATM 0 H1C RCY A 150 79.390 -1.280 3.553 1.00 1.00 H new HETATM 1385 C1C RCY A 160 77.379 6.169 -0.939 1.00 1.00 C HETATM 1386 O1G RCY A 160 79.584 8.406 0.567 1.00 1.00 O HETATM 1387 O1H RCY A 160 77.120 6.691 4.212 1.00 1.00 O HETATM 1388 O1J RCY A 160 76.926 3.195 -1.071 1.00 1.00 O HETATM 1389 C1L RCY A 160 78.757 9.399 2.645 1.00 1.00 C HETATM 1390 C1M RCY A 160 78.044 4.569 2.330 1.00 1.00 C HETATM 1391 C1P RCY A 160 78.947 8.281 1.612 1.00 1.00 C HETATM 1392 C1Q RCY A 160 77.539 7.426 3.320 1.00 1.00 C HETATM 1393 N1R RCY A 160 78.248 6.992 2.043 1.00 1.00 N HETATM 1394 C1S RCY A 160 77.444 8.940 3.288 1.00 1.00 C HETATM 1395 C1U RCY A 160 78.252 5.617 1.372 1.00 1.00 C HETATM 1396 C1V RCY A 160 75.760 5.840 0.983 1.00 1.00 C HETATM 1397 N1V RCY A 160 77.162 3.932 0.167 1.00 1.00 N HETATM 1398 C1W RCY A 160 77.520 3.364 1.539 1.00 1.00 C HETATM 1399 C1X RCY A 160 77.106 5.439 0.377 1.00 1.00 C HETATM 1400 C1Y RCY A 160 76.279 2.775 2.214 1.00 1.00 C HETATM 1401 C1Z RCY A 160 78.601 2.296 1.372 1.00 1.00 C HETATM 0 H1ZB RCY A 160 79.451 2.719 0.836 1.00 1.00 H new HETATM 0 H1ZA RCY A 160 78.926 1.951 2.353 1.00 1.00 H new HETATM 0 H1YB RCY A 160 76.533 2.451 3.223 1.00 1.00 H new HETATM 0 H1YA RCY A 160 75.497 3.533 2.262 1.00 1.00 H new HETATM 0 H1VB RCY A 160 75.755 6.912 1.180 1.00 1.00 H new HETATM 0 H1VA RCY A 160 74.959 5.595 0.285 1.00 1.00 H new HETATM 0 H1MA RCY A 160 78.972 4.323 2.845 1.00 1.00 H new HETATM 0 H1LA RCY A 160 79.577 9.450 3.361 1.00 1.00 H new HETATM 0 H1Z RCY A 160 78.198 1.455 0.807 1.00 1.00 H new HETATM 0 H1Y RCY A 160 75.922 1.921 1.638 1.00 1.00 H new HETATM 0 H1V RCY A 160 75.605 5.299 1.916 1.00 1.00 H new HETATM 0 H1U RCY A 160 79.223 5.561 0.880 1.00 1.00 H new HETATM 0 H1S RCY A 160 76.582 9.270 2.708 1.00 1.00 H new HETATM 0 H1M RCY A 160 77.328 4.875 3.093 1.00 1.00 H new HETATM 0 H1L RCY A 160 78.675 10.383 2.184 1.00 1.00 H new HETATM 1404 C1C RCY A 168 75.182 1.074 -0.323 1.00 1.00 C HETATM 1405 O1G RCY A 168 74.313 0.678 2.214 1.00 1.00 O HETATM 1406 O1H RCY A 168 69.838 0.084 0.830 1.00 1.00 O HETATM 1407 O1J RCY A 168 74.958 1.531 -3.291 1.00 1.00 O HETATM 1408 C1L RCY A 168 72.196 0.491 3.427 1.00 1.00 C HETATM 1409 C1M RCY A 168 71.681 0.726 -1.469 1.00 1.00 C HETATM 1410 C1P RCY A 168 73.089 0.565 2.181 1.00 1.00 C HETATM 1411 C1Q RCY A 168 70.841 0.469 1.428 1.00 1.00 C HETATM 1412 N1R RCY A 168 72.269 0.481 0.895 1.00 1.00 N HETATM 1413 C1S RCY A 168 70.884 1.023 2.840 1.00 1.00 C HETATM 1414 C1U RCY A 168 72.746 0.423 -0.557 1.00 1.00 C HETATM 1415 C1V RCY A 168 73.392 2.867 -0.404 1.00 1.00 C HETATM 1416 N1V RCY A 168 73.813 1.406 -2.394 1.00 1.00 N HETATM 1417 C1W RCY A 168 72.350 1.181 -2.772 1.00 1.00 C HETATM 1418 C1X RCY A 168 73.811 1.472 -0.873 1.00 1.00 C HETATM 1419 C1Y RCY A 168 71.720 2.484 -3.274 1.00 1.00 C HETATM 1420 C1Z RCY A 168 72.272 0.096 -3.846 1.00 1.00 C HETATM 0 H1ZB RCY A 168 72.778 -0.803 -3.493 1.00 1.00 H new HETATM 0 H1ZA RCY A 168 71.227 -0.134 -4.055 1.00 1.00 H new HETATM 0 H1YB RCY A 168 70.657 2.327 -3.459 1.00 1.00 H new HETATM 0 H1YA RCY A 168 71.846 3.263 -2.522 1.00 1.00 H new HETATM 0 H1VB RCY A 168 73.341 2.885 0.685 1.00 1.00 H new HETATM 0 H1VA RCY A 168 74.123 3.600 -0.745 1.00 1.00 H new HETATM 0 H1MA RCY A 168 71.053 -0.149 -1.639 1.00 1.00 H new HETATM 0 H1LA RCY A 168 72.100 -0.524 3.812 1.00 1.00 H new HETATM 0 H1CB RCY A 168 75.122 0.964 0.760 1.00 1.00 H new HETATM 0 H1CA RCY A 168 75.492 0.128 -0.767 1.00 1.00 H new HETATM 0 H1Z RCY A 168 72.755 0.450 -4.757 1.00 1.00 H new HETATM 0 H1Y RCY A 168 72.208 2.791 -4.199 1.00 1.00 H new HETATM 0 H1V RCY A 168 72.413 3.111 -0.817 1.00 1.00 H new HETATM 0 H1U RCY A 168 73.133 -0.590 -0.673 1.00 1.00 H new HETATM 0 H1S RCY A 168 70.864 2.113 2.839 1.00 1.00 H new HETATM 0 H1M RCY A 168 71.036 1.508 -1.069 1.00 1.00 H new HETATM 0 H1L RCY A 168 72.568 1.108 4.245 1.00 1.00 H new HETATM 0 H1C RCY A 168 75.911 1.846 -0.569 1.00 1.00 H new HETATM 1423 C1C RCY A 173 74.838 -4.781 -5.680 1.00 1.00 C HETATM 1424 O1G RCY A 173 71.215 -5.152 -4.121 1.00 1.00 O HETATM 1425 O1H RCY A 173 74.522 -7.415 -1.622 1.00 1.00 O HETATM 1426 O1J RCY A 173 77.048 -2.899 -4.879 1.00 1.00 O HETATM 1427 C1L RCY A 173 71.274 -7.329 -3.005 1.00 1.00 C HETATM 1428 C1M RCY A 173 74.934 -4.316 -2.010 1.00 1.00 C HETATM 1429 C1P RCY A 173 71.849 -5.988 -3.478 1.00 1.00 C HETATM 1430 C1Q RCY A 173 73.607 -7.166 -2.406 1.00 1.00 C HETATM 1431 N1R RCY A 173 73.307 -5.820 -3.053 1.00 1.00 N HETATM 1432 C1S RCY A 173 72.565 -8.148 -2.908 1.00 1.00 C HETATM 1433 C1U RCY A 173 74.234 -4.615 -3.227 1.00 1.00 C HETATM 1434 C1V RCY A 173 76.075 -6.186 -3.971 1.00 1.00 C HETATM 1435 N1V RCY A 173 76.264 -3.690 -3.934 1.00 1.00 N HETATM 1436 C1W RCY A 173 76.179 -3.519 -2.419 1.00 1.00 C HETATM 1437 C1X RCY A 173 75.349 -4.867 -4.241 1.00 1.00 C HETATM 1438 C1Y RCY A 173 77.429 -4.091 -1.745 1.00 1.00 C HETATM 1439 C1Z RCY A 173 76.022 -2.034 -2.090 1.00 1.00 C HETATM 0 H1ZB RCY A 173 75.162 -1.632 -2.625 1.00 1.00 H new HETATM 0 H1ZA RCY A 173 75.871 -1.913 -1.017 1.00 1.00 H new HETATM 0 H1LA RCY A 173 70.758 -7.248 -2.048 1.00 1.00 H new HETATM 0 H1CA RCY A 173 74.429 -3.787 -5.862 1.00 1.00 H new HETATM 0 H1Z RCY A 173 76.921 -1.497 -2.392 1.00 1.00 H new HETATM 0 H1U RCY A 173 73.573 -3.811 -3.549 1.00 1.00 H new HETATM 0 H1S RCY A 173 72.845 -8.562 -3.877 1.00 1.00 H new HETATM 0 H1M RCY A 173 75.212 -5.230 -1.486 1.00 1.00 H new HETATM 0 H1L RCY A 173 70.564 -7.752 -3.715 1.00 1.00 H new HETATM 1442 C1C RCY A 176 79.366 -8.258 -2.985 1.00 1.00 C HETATM 1443 O1G RCY A 176 77.585 -8.909 -4.916 1.00 1.00 O HETATM 1444 O1H RCY A 176 75.596 -4.630 -4.731 1.00 1.00 O HETATM 1445 O1J RCY A 176 79.745 -7.454 -0.108 1.00 1.00 O HETATM 1446 C1L RCY A 176 75.976 -7.747 -6.347 1.00 1.00 C HETATM 1447 C1M RCY A 176 76.855 -5.742 -1.958 1.00 1.00 C HETATM 1448 C1P RCY A 176 76.895 -7.914 -5.129 1.00 1.00 C HETATM 1449 C1Q RCY A 176 75.773 -5.838 -4.882 1.00 1.00 C HETATM 1450 N1R RCY A 176 76.846 -6.690 -4.216 1.00 1.00 N HETATM 1451 C1S RCY A 176 74.956 -6.758 -5.771 1.00 1.00 C HETATM 1452 C1U RCY A 176 77.659 -6.389 -2.955 1.00 1.00 C HETATM 1453 C1V RCY A 176 77.044 -8.675 -2.056 1.00 1.00 C HETATM 1454 N1V RCY A 176 78.595 -7.068 -0.920 1.00 1.00 N HETATM 1455 C1W RCY A 176 77.556 -5.991 -0.617 1.00 1.00 C HETATM 1456 C1X RCY A 176 78.164 -7.651 -2.259 1.00 1.00 C HETATM 1457 C1Y RCY A 176 76.555 -6.491 0.429 1.00 1.00 C HETATM 1458 C1Z RCY A 176 78.269 -4.733 -0.121 1.00 1.00 C HETATM 0 H1ZB RCY A 176 79.018 -4.427 -0.852 1.00 1.00 H new HETATM 0 H1YB RCY A 176 75.774 -5.744 0.572 1.00 1.00 H new HETATM 0 H1YA RCY A 176 76.106 -7.423 0.087 1.00 1.00 H new HETATM 0 H1VB RCY A 176 76.707 -9.043 -3.025 1.00 1.00 H new HETATM 0 H1VA RCY A 176 77.417 -9.509 -1.461 1.00 1.00 H new HETATM 0 H1LA RCY A 176 76.501 -7.347 -7.215 1.00 1.00 H new HETATM 0 H1CB RCY A 176 79.081 -8.520 -4.004 1.00 1.00 H new HETATM 0 H1CA RCY A 176 80.180 -7.533 -3.011 1.00 1.00 H new HETATM 0 H1Y RCY A 176 77.071 -6.662 1.374 1.00 1.00 H new HETATM 0 H1V RCY A 176 76.210 -8.203 -1.537 1.00 1.00 H new HETATM 0 H1U RCY A 176 78.483 -5.769 -3.309 1.00 1.00 H new HETATM 0 H1S RCY A 176 74.182 -7.273 -5.203 1.00 1.00 H new HETATM 0 H1M RCY A 176 75.843 -6.148 -1.950 1.00 1.00 H new HETATM 0 H1C RCY A 176 79.695 -9.154 -2.458 1.00 1.00 H new HETATM 1461 C1C RCY A 187 78.298 -4.130 -2.163 1.00 1.00 C HETATM 1462 O1G RCY A 187 80.251 -4.209 -0.286 1.00 1.00 O HETATM 1463 O1H RCY A 187 77.212 -3.403 3.237 1.00 1.00 O HETATM 1464 O1J RCY A 187 75.543 -3.649 -3.279 1.00 1.00 O HETATM 1465 C1L RCY A 187 80.538 -3.723 2.095 1.00 1.00 C HETATM 1466 C1M RCY A 187 75.877 -3.378 0.532 1.00 1.00 C HETATM 1467 C1P RCY A 187 79.743 -3.939 0.801 1.00 1.00 C HETATM 1468 C1Q RCY A 187 78.187 -3.342 2.489 1.00 1.00 C HETATM 1469 N1R RCY A 187 78.241 -3.776 1.030 1.00 1.00 N HETATM 1470 C1S RCY A 187 79.563 -2.816 2.853 1.00 1.00 C HETATM 1471 C1U RCY A 187 77.083 -3.991 0.054 1.00 1.00 C HETATM 1472 C1V RCY A 187 77.755 -1.869 -1.154 1.00 1.00 C HETATM 1473 N1V RCY A 187 75.917 -3.403 -1.889 1.00 1.00 N HETATM 1474 C1W RCY A 187 74.989 -3.164 -0.700 1.00 1.00 C HETATM 1475 C1X RCY A 187 77.320 -3.328 -1.303 1.00 1.00 C HETATM 1476 C1Y RCY A 187 74.442 -1.734 -0.727 1.00 1.00 C HETATM 1477 C1Z RCY A 187 73.847 -4.179 -0.745 1.00 1.00 C HETATM 0 H1YB RCY A 187 73.850 -1.554 0.171 1.00 1.00 H new HETATM 0 H1YA RCY A 187 75.271 -1.028 -0.763 1.00 1.00 H new HETATM 0 H1VB RCY A 187 78.737 -1.828 -0.682 1.00 1.00 H new HETATM 0 H1VA RCY A 187 77.806 -1.402 -2.138 1.00 1.00 H new HETATM 0 H1MA RCY A 187 75.380 -4.015 1.264 1.00 1.00 H new HETATM 0 H1LA RCY A 187 80.737 -4.655 2.623 1.00 1.00 H new HETATM 0 H1CB RCY A 187 79.256 -4.208 -1.648 1.00 1.00 H new HETATM 0 H1Y RCY A 187 73.814 -1.601 -1.608 1.00 1.00 H new HETATM 0 H1V RCY A 187 77.033 -1.335 -0.536 1.00 1.00 H new HETATM 0 H1S RCY A 187 79.680 -1.774 2.557 1.00 1.00 H new HETATM 0 H1M RCY A 187 76.091 -2.431 1.027 1.00 1.00 H new HETATM 0 H1L RCY A 187 81.501 -3.245 1.918 1.00 1.00 H new