USER MOD reduce.3.24.130724 H: found=0, std=0, add=790, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 659 hydrogens (20 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 29 LYS HZ1 : A 29 LYS NZ : A 130 RCY C1U :...(NH2R) USER MOD NoAdj-H: A 29 LYS HZ2 : A 29 LYS NZ : A 130 RCY C1U :(NH2R) USER MOD NoAdj-H: A 29 LYS HZ3 : A 29 LYS NZ : A 130 RCY C1U :(NH2R) USER MOD NoAdj-H: A 76 CYS H : A 76 CYS N : A 173 RCY C1C :(H bumps) USER MOD NoAdj-H: A 110 RCYH1VB : A 110 RCY C1V : A 6 PRO O :(H bumps) USER MOD NoAdj-H: A 110 RCYH1VA : A 110 RCY C1V : A 6 PRO O :(H bumps) USER MOD NoAdj-H: A 110 RCYH1SA : A 110 RCY C1S : A 10 CYS SG :(H bumps) USER MOD NoAdj-H: A 121 RCYH1SA : A 121 RCY C1S : A 21 CYS SG :(H bumps) USER MOD NoAdj-H: A 130 RCYH1SA : A 130 RCY C1S : A 30 CYS SG :(H bumps) USER MOD NoAdj-H: A 130 RCYH1LA : A 130 RCY C1L : A 29 LYS CB :(H bumps) USER MOD NoAdj-H: A 130 RCY H1U : A 130 RCY C1U : A 29 LYS NZ :(H bumps) USER MOD NoAdj-H: A 130 RCY H1L : A 130 RCY C1L : A 29 LYS CA :(H bumps) USER MOD NoAdj-H: A 138 RCYH1YA : A 138 RCY C1Y : A 187 RCY C1Y :(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 187 RCY C1M :(H bumps) USER MOD NoAdj-H: A 138 RCY H1Y : A 138 RCY C1Y : A 187 RCY C1Y :(H bumps) USER MOD NoAdj-H: A 138 RCY H1V : A 138 RCY C1V : A 187 RCY N1V :(H bumps) USER MOD NoAdj-H: A 138 RCY H1U : A 138 RCY C1U : A 176 RCY C1Y :(H bumps) USER MOD NoAdj-H: A 138 RCY H1M : A 138 RCY C1M : A 187 RCY C1M :(H bumps) USER MOD NoAdj-H: A 150 RCYH1YA : A 150 RCY C1Y : A 160 RCY C1Z :(H bumps) USER MOD NoAdj-H: A 150 RCYH1SA : A 150 RCY C1S : A 50 CYS SG :(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 RCY H1Z : A 160 RCY C1Z : A 150 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 168 RCYH1CB : A 168 RCY C1C : A 173 RCY O1H :(H bumps) USER MOD NoAdj-H: A 168 RCY H1L : A 168 RCY C1L : A 68 CYS O :(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 RCY H1Y : A 173 RCY C1Y : A 176 RCY O1G :(H bumps) USER MOD NoAdj-H: A 173 RCY H1C : A 173 RCY C1C : A 76 CYS N :(H bumps) USER MOD NoAdj-H: A 176 RCYH1YA : A 176 RCY C1Y : A 138 RCY C1U :(H bumps) USER MOD NoAdj-H: A 176 RCYH1SA : A 176 RCY C1S : A 173 RCY O1J :(H bumps) USER MOD NoAdj-H: A 176 RCY H1L : A 176 RCY C1L : A 173 RCY C1Y :(H bumps) USER MOD NoAdj-H: A 176 RCY H1C : A 176 RCY C1C : A 187 RCY O1G :(H bumps) USER MOD NoAdj-H: A 187 RCYH1ZB : A 187 RCY C1Z : A 138 RCY N1R :(H bumps) USER MOD NoAdj-H: A 187 RCYH1ZA : A 187 RCY C1Z : A 138 RCY N1R :(H bumps) USER MOD NoAdj-H: A 187 RCYH1YB : A 187 RCY C1Y : A 138 RCY C1Y :(H bumps) USER MOD NoAdj-H: A 187 RCYH1YA : A 187 RCY C1Y : A 138 RCY C1Y :(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 RCYH1MA : A 187 RCY C1M : A 138 RCY C1M :(H bumps) USER MOD NoAdj-H: A 187 RCYH1CB : A 187 RCY C1C : A 176 RCY O1J :(H bumps) USER MOD NoAdj-H: A 187 RCY H1Z : A 187 RCY C1Z : A 138 RCY C1X :(H bumps) USER MOD NoAdj-H: A 187 RCY H1Y : A 187 RCY C1Y : A 138 RCY N1V :(H bumps) USER MOD Set 1.1: A 74 ASN : amide:sc= -7.99! C(o=-9.1!,f=-2.3!) USER MOD Set 1.2: A 75 HIS : no HE2:sc= -1.13! C(o=-9.1!,f=-11!) USER MOD Single : A 1 MET CE :methyl 153:sc= -0.25 (180deg=-1.62!) USER MOD Single : A 1 MET N :NH3+ 163:sc= -0.103 (180deg=-0.68) USER MOD Single : A 2 ASN : amide:sc= -0.975! C(o=-0.98!,f=-5.2!) USER MOD Single : A 7 LYS NZ :NH3+ -149:sc= 0 (180deg=-0.0369) USER MOD Single : A 12 SER OG : rot 180:sc= -0.2 USER MOD Single : A 14 THR OG1 : rot 105:sc= 0.0967 USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 167:sc=-0.00442 (180deg=-0.199) USER MOD Single : A 31 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.178) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 34 GLN : amide:sc= -1.13 K(o=-1.1,f=-0.0016) USER MOD Single : A 35 THR OG1 : rot 180:sc=-0.00672 USER MOD Single : A 37 GLN : amide:sc= -0.414 X(o=-0.41,f=-0.24) USER MOD Single : A 39 LYS NZ :NH3+ 164:sc= -2.42! (180deg=-2.87!) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ -147:sc= -0.289 (180deg=-1.65!) USER MOD Single : A 44 LYS NZ :NH3+ -147:sc= 0 (180deg=-0.0301) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= -0.186 X(o=-0.19,f=-0.59) USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.0162 USER MOD Single : A 79 HIS : no HE2:sc= -12.2! C(o=-12!,f=-16!) USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 56.813 -10.947 -9.353 1.00 1.00 N ATOM 2 CA MET A 1 58.022 -11.795 -9.158 1.00 1.00 C ATOM 3 C MET A 1 58.076 -12.279 -7.708 1.00 1.00 C ATOM 4 O MET A 1 57.063 -12.419 -7.052 1.00 1.00 O ATOM 5 CB MET A 1 59.276 -10.975 -9.475 1.00 1.00 C ATOM 6 CG MET A 1 59.279 -9.698 -8.633 1.00 1.00 C ATOM 7 SD MET A 1 60.827 -8.799 -8.906 1.00 1.00 S ATOM 8 CE MET A 1 60.611 -8.511 -10.680 1.00 1.00 C ATOM 0 H1 MET A 1 56.916 -10.391 -10.226 1.00 1.00 H new ATOM 0 H2 MET A 1 55.972 -11.554 -9.427 1.00 1.00 H new ATOM 0 H3 MET A 1 56.706 -10.304 -8.543 1.00 1.00 H new ATOM 0 HA MET A 1 57.976 -12.656 -9.825 1.00 1.00 H new ATOM 0 HB2 MET A 1 60.170 -11.563 -9.266 1.00 1.00 H new ATOM 0 HB3 MET A 1 59.300 -10.724 -10.535 1.00 1.00 H new ATOM 0 HG2 MET A 1 58.429 -9.070 -8.902 1.00 1.00 H new ATOM 0 HG3 MET A 1 59.171 -9.946 -7.577 1.00 1.00 H new ATOM 0 HE1 MET A 1 61.153 -7.611 -10.971 1.00 1.00 H new ATOM 0 HE2 MET A 1 60.999 -9.364 -11.237 1.00 1.00 H new ATOM 0 HE3 MET A 1 59.551 -8.384 -10.902 1.00 1.00 H new ATOM 17 N ASN A 2 59.251 -12.537 -7.201 1.00 1.00 N ATOM 18 CA ASN A 2 59.371 -13.012 -5.793 1.00 1.00 C ATOM 19 C ASN A 2 59.525 -11.807 -4.862 1.00 1.00 C ATOM 20 O ASN A 2 60.467 -11.048 -4.964 1.00 1.00 O ATOM 21 CB ASN A 2 60.599 -13.916 -5.668 1.00 1.00 C ATOM 22 CG ASN A 2 60.638 -14.889 -6.848 1.00 1.00 C ATOM 23 OD1 ASN A 2 60.623 -14.478 -7.991 1.00 1.00 O ATOM 24 ND2 ASN A 2 60.688 -16.173 -6.617 1.00 1.00 N ATOM 0 H ASN A 2 60.134 -12.439 -7.702 1.00 1.00 H new ATOM 0 HA ASN A 2 58.477 -13.571 -5.517 1.00 1.00 H new ATOM 0 HB2 ASN A 2 61.507 -13.313 -5.650 1.00 1.00 H new ATOM 0 HB3 ASN A 2 60.564 -14.468 -4.729 1.00 1.00 H new ATOM 0 HD21 ASN A 2 60.714 -16.831 -7.396 1.00 1.00 H new ATOM 0 HD22 ASN A 2 60.701 -16.518 -5.657 1.00 1.00 H new ATOM 31 N LEU A 3 58.607 -11.627 -3.951 1.00 1.00 N ATOM 32 CA LEU A 3 58.705 -10.472 -3.014 1.00 1.00 C ATOM 33 C LEU A 3 57.785 -10.706 -1.814 1.00 1.00 C ATOM 34 O LEU A 3 56.853 -11.482 -1.876 1.00 1.00 O ATOM 35 CB LEU A 3 58.303 -9.178 -3.737 1.00 1.00 C ATOM 36 CG LEU A 3 56.795 -9.178 -3.993 1.00 1.00 C ATOM 37 CD1 LEU A 3 56.407 -7.915 -4.765 1.00 1.00 C ATOM 38 CD2 LEU A 3 56.419 -10.412 -4.815 1.00 1.00 C ATOM 0 H LEU A 3 57.795 -12.229 -3.815 1.00 1.00 H new ATOM 0 HA LEU A 3 59.733 -10.378 -2.665 1.00 1.00 H new ATOM 0 HB2 LEU A 3 58.579 -8.313 -3.135 1.00 1.00 H new ATOM 0 HB3 LEU A 3 58.842 -9.095 -4.681 1.00 1.00 H new ATOM 0 HG LEU A 3 56.265 -9.198 -3.041 1.00 1.00 H new ATOM 0 HD11 LEU A 3 55.332 -7.916 -4.947 1.00 1.00 H new ATOM 0 HD12 LEU A 3 56.676 -7.035 -4.181 1.00 1.00 H new ATOM 0 HD13 LEU A 3 56.936 -7.894 -5.718 1.00 1.00 H new ATOM 0 HD21 LEU A 3 55.345 -10.414 -4.998 1.00 1.00 H new ATOM 0 HD22 LEU A 3 56.949 -10.391 -5.767 1.00 1.00 H new ATOM 0 HD23 LEU A 3 56.695 -11.313 -4.266 1.00 1.00 H new ATOM 50 N GLU A 4 58.046 -10.039 -0.720 1.00 1.00 N ATOM 51 CA GLU A 4 57.195 -10.216 0.494 1.00 1.00 C ATOM 52 C GLU A 4 56.761 -8.839 1.010 1.00 1.00 C ATOM 53 O GLU A 4 57.415 -7.845 0.764 1.00 1.00 O ATOM 54 CB GLU A 4 58.007 -10.940 1.576 1.00 1.00 C ATOM 55 CG GLU A 4 59.487 -10.581 1.429 1.00 1.00 C ATOM 56 CD GLU A 4 60.260 -11.090 2.647 1.00 1.00 C ATOM 57 OE1 GLU A 4 60.690 -12.231 2.616 1.00 1.00 O ATOM 58 OE2 GLU A 4 60.409 -10.330 3.589 1.00 1.00 O ATOM 0 H GLU A 4 58.815 -9.377 -0.615 1.00 1.00 H new ATOM 0 HA GLU A 4 56.312 -10.805 0.247 1.00 1.00 H new ATOM 0 HB2 GLU A 4 57.649 -10.655 2.566 1.00 1.00 H new ATOM 0 HB3 GLU A 4 57.873 -12.018 1.486 1.00 1.00 H new ATOM 0 HG2 GLU A 4 59.891 -11.023 0.518 1.00 1.00 H new ATOM 0 HG3 GLU A 4 59.603 -9.501 1.337 1.00 1.00 H new ATOM 65 N PRO A 5 55.665 -8.780 1.723 1.00 1.00 N ATOM 66 CA PRO A 5 55.138 -7.508 2.284 1.00 1.00 C ATOM 67 C PRO A 5 56.261 -6.571 2.753 1.00 1.00 C ATOM 68 O PRO A 5 56.860 -6.789 3.787 1.00 1.00 O ATOM 69 CB PRO A 5 54.300 -7.982 3.471 1.00 1.00 C ATOM 70 CG PRO A 5 53.796 -9.332 3.075 1.00 1.00 C ATOM 71 CD PRO A 5 54.806 -9.920 2.081 1.00 1.00 C ATOM 0 HA PRO A 5 54.578 -6.929 1.550 1.00 1.00 H new ATOM 0 HB2 PRO A 5 54.899 -8.035 4.380 1.00 1.00 H new ATOM 0 HB3 PRO A 5 53.477 -7.297 3.671 1.00 1.00 H new ATOM 0 HG2 PRO A 5 53.696 -9.977 3.948 1.00 1.00 H new ATOM 0 HG3 PRO A 5 52.808 -9.256 2.620 1.00 1.00 H new ATOM 0 HD2 PRO A 5 55.383 -10.728 2.531 1.00 1.00 H new ATOM 0 HD3 PRO A 5 54.308 -10.334 1.204 1.00 1.00 H new ATOM 79 N PRO A 6 56.551 -5.539 1.998 1.00 1.00 N ATOM 80 CA PRO A 6 57.623 -4.569 2.349 1.00 1.00 C ATOM 81 C PRO A 6 57.151 -3.529 3.370 1.00 1.00 C ATOM 82 O PRO A 6 56.106 -2.926 3.220 1.00 1.00 O ATOM 83 CB PRO A 6 57.951 -3.907 1.011 1.00 1.00 C ATOM 84 CG PRO A 6 56.681 -3.969 0.225 1.00 1.00 C ATOM 85 CD PRO A 6 55.895 -5.185 0.729 1.00 1.00 C ATOM 0 HA PRO A 6 58.480 -5.053 2.817 1.00 1.00 H new ATOM 0 HB2 PRO A 6 58.278 -2.877 1.151 1.00 1.00 H new ATOM 0 HB3 PRO A 6 58.758 -4.431 0.499 1.00 1.00 H new ATOM 0 HG2 PRO A 6 56.102 -3.055 0.357 1.00 1.00 H new ATOM 0 HG3 PRO A 6 56.892 -4.062 -0.840 1.00 1.00 H new ATOM 0 HD2 PRO A 6 54.842 -4.945 0.878 1.00 1.00 H new ATOM 0 HD3 PRO A 6 55.936 -6.009 0.016 1.00 1.00 H new ATOM 93 N LYS A 7 57.914 -3.315 4.407 1.00 1.00 N ATOM 94 CA LYS A 7 57.513 -2.317 5.439 1.00 1.00 C ATOM 95 C LYS A 7 58.127 -0.958 5.096 1.00 1.00 C ATOM 96 O LYS A 7 59.276 -0.694 5.391 1.00 1.00 O ATOM 97 CB LYS A 7 58.014 -2.772 6.814 1.00 1.00 C ATOM 98 CG LYS A 7 57.385 -4.120 7.171 1.00 1.00 C ATOM 99 CD LYS A 7 58.316 -5.251 6.730 1.00 1.00 C ATOM 100 CE LYS A 7 59.357 -5.511 7.821 1.00 1.00 C ATOM 101 NZ LYS A 7 58.749 -6.340 8.900 1.00 1.00 N ATOM 0 H LYS A 7 58.799 -3.789 4.584 1.00 1.00 H new ATOM 0 HA LYS A 7 56.427 -2.232 5.460 1.00 1.00 H new ATOM 0 HB2 LYS A 7 59.101 -2.857 6.806 1.00 1.00 H new ATOM 0 HB3 LYS A 7 57.758 -2.029 7.569 1.00 1.00 H new ATOM 0 HG2 LYS A 7 57.209 -4.178 8.245 1.00 1.00 H new ATOM 0 HG3 LYS A 7 56.416 -4.222 6.683 1.00 1.00 H new ATOM 0 HD2 LYS A 7 57.740 -6.157 6.539 1.00 1.00 H new ATOM 0 HD3 LYS A 7 58.811 -4.985 5.796 1.00 1.00 H new ATOM 0 HE2 LYS A 7 60.222 -6.022 7.399 1.00 1.00 H new ATOM 0 HE3 LYS A 7 59.714 -4.566 8.231 1.00 1.00 H new ATOM 0 HZ1 LYS A 7 59.188 -6.100 9.812 1.00 1.00 H new ATOM 0 HZ2 LYS A 7 57.727 -6.152 8.948 1.00 1.00 H new ATOM 0 HZ3 LYS A 7 58.907 -7.347 8.695 1.00 1.00 H new ATOM 115 N ALA A 8 57.371 -0.095 4.475 1.00 1.00 N ATOM 116 CA ALA A 8 57.911 1.245 4.113 1.00 1.00 C ATOM 117 C ALA A 8 56.752 2.225 3.918 1.00 1.00 C ATOM 118 O ALA A 8 55.827 2.271 4.704 1.00 1.00 O ATOM 119 CB ALA A 8 58.712 1.138 2.814 1.00 1.00 C ATOM 0 H ALA A 8 56.402 -0.260 4.203 1.00 1.00 H new ATOM 0 HA ALA A 8 58.560 1.603 4.912 1.00 1.00 H new ATOM 0 HB1 ALA A 8 59.107 2.118 2.549 1.00 1.00 H new ATOM 0 HB2 ALA A 8 59.537 0.439 2.952 1.00 1.00 H new ATOM 0 HB3 ALA A 8 58.063 0.780 2.015 1.00 1.00 H new ATOM 125 N GLU A 9 56.793 3.008 2.875 1.00 1.00 N ATOM 126 CA GLU A 9 55.693 3.983 2.632 1.00 1.00 C ATOM 127 C GLU A 9 55.805 4.535 1.209 1.00 1.00 C ATOM 128 O GLU A 9 56.853 4.493 0.597 1.00 1.00 O ATOM 129 CB GLU A 9 55.798 5.134 3.636 1.00 1.00 C ATOM 130 CG GLU A 9 57.236 5.654 3.670 1.00 1.00 C ATOM 131 CD GLU A 9 58.110 4.689 4.474 1.00 1.00 C ATOM 132 OE1 GLU A 9 57.701 4.317 5.562 1.00 1.00 O ATOM 133 OE2 GLU A 9 59.173 4.339 3.989 1.00 1.00 O ATOM 0 H GLU A 9 57.540 3.015 2.181 1.00 1.00 H new ATOM 0 HA GLU A 9 54.732 3.483 2.753 1.00 1.00 H new ATOM 0 HB2 GLU A 9 55.116 5.937 3.356 1.00 1.00 H new ATOM 0 HB3 GLU A 9 55.500 4.794 4.628 1.00 1.00 H new ATOM 0 HG2 GLU A 9 57.622 5.752 2.656 1.00 1.00 H new ATOM 0 HG3 GLU A 9 57.264 6.647 4.119 1.00 1.00 H new ATOM 140 N CYS A 10 54.730 5.052 0.678 1.00 1.00 N ATOM 141 CA CYS A 10 54.772 5.607 -0.704 1.00 1.00 C ATOM 142 C CYS A 10 55.274 7.053 -0.657 1.00 1.00 C ATOM 143 O CYS A 10 56.087 7.409 0.173 1.00 1.00 O ATOM 144 CB CYS A 10 53.366 5.569 -1.309 1.00 1.00 C ATOM 145 SG CYS A 10 52.890 3.851 -1.622 1.00 1.00 S ATOM 0 H CYS A 10 53.824 5.114 1.143 1.00 1.00 H new ATOM 0 HA CYS A 10 55.447 5.011 -1.318 1.00 1.00 H new ATOM 0 HB2 CYS A 10 52.653 6.037 -0.630 1.00 1.00 H new ATOM 0 HB3 CYS A 10 53.343 6.139 -2.238 1.00 1.00 H new ATOM 150 N ARG A 11 54.801 7.889 -1.542 1.00 1.00 N ATOM 151 CA ARG A 11 55.254 9.309 -1.546 1.00 1.00 C ATOM 152 C ARG A 11 56.766 9.361 -1.775 1.00 1.00 C ATOM 153 O ARG A 11 57.407 10.364 -1.531 1.00 1.00 O ATOM 154 CB ARG A 11 54.915 9.961 -0.201 1.00 1.00 C ATOM 155 CG ARG A 11 53.524 9.511 0.249 1.00 1.00 C ATOM 156 CD ARG A 11 53.017 10.443 1.352 1.00 1.00 C ATOM 157 NE ARG A 11 54.145 10.800 2.258 1.00 1.00 N ATOM 158 CZ ARG A 11 53.900 11.255 3.456 1.00 1.00 C ATOM 159 NH1 ARG A 11 52.668 11.397 3.861 1.00 1.00 N ATOM 160 NH2 ARG A 11 54.888 11.567 4.250 1.00 1.00 N ATOM 0 H ARG A 11 54.120 7.649 -2.263 1.00 1.00 H new ATOM 0 HA ARG A 11 54.747 9.849 -2.346 1.00 1.00 H new ATOM 0 HB2 ARG A 11 55.658 9.684 0.547 1.00 1.00 H new ATOM 0 HB3 ARG A 11 54.945 11.047 -0.293 1.00 1.00 H new ATOM 0 HG2 ARG A 11 52.836 9.522 -0.596 1.00 1.00 H new ATOM 0 HG3 ARG A 11 53.563 8.485 0.615 1.00 1.00 H new ATOM 0 HD2 ARG A 11 52.590 11.345 0.913 1.00 1.00 H new ATOM 0 HD3 ARG A 11 52.222 9.956 1.917 1.00 1.00 H new ATOM 0 HE ARG A 11 55.108 10.689 1.942 1.00 1.00 H new ATOM 0 HH11 ARG A 11 51.896 11.152 3.241 1.00 1.00 H new ATOM 0 HH12 ARG A 11 52.477 11.753 4.798 1.00 1.00 H new ATOM 0 HH21 ARG A 11 55.851 11.455 3.934 1.00 1.00 H new ATOM 0 HH22 ARG A 11 54.697 11.923 5.187 1.00 1.00 H new ATOM 174 N SER A 12 57.342 8.286 -2.244 1.00 1.00 N ATOM 175 CA SER A 12 58.814 8.269 -2.492 1.00 1.00 C ATOM 176 C SER A 12 59.085 8.547 -3.972 1.00 1.00 C ATOM 177 O SER A 12 58.177 8.626 -4.776 1.00 1.00 O ATOM 178 CB SER A 12 59.375 6.895 -2.123 1.00 1.00 C ATOM 179 OG SER A 12 60.780 6.889 -2.336 1.00 1.00 O ATOM 0 H SER A 12 56.856 7.417 -2.467 1.00 1.00 H new ATOM 0 HA SER A 12 59.294 9.035 -1.884 1.00 1.00 H new ATOM 0 HB2 SER A 12 59.153 6.667 -1.081 1.00 1.00 H new ATOM 0 HB3 SER A 12 58.901 6.122 -2.727 1.00 1.00 H new ATOM 0 HG SER A 12 61.143 6.010 -2.099 1.00 1.00 H new ATOM 185 N ALA A 13 60.329 8.697 -4.339 1.00 1.00 N ATOM 186 CA ALA A 13 60.658 8.970 -5.766 1.00 1.00 C ATOM 187 C ALA A 13 59.863 10.185 -6.250 1.00 1.00 C ATOM 188 O ALA A 13 59.350 10.204 -7.351 1.00 1.00 O ATOM 189 CB ALA A 13 60.294 7.751 -6.616 1.00 1.00 C ATOM 0 H ALA A 13 61.131 8.642 -3.712 1.00 1.00 H new ATOM 0 HA ALA A 13 61.725 9.173 -5.860 1.00 1.00 H new ATOM 0 HB1 ALA A 13 60.535 7.951 -7.660 1.00 1.00 H new ATOM 0 HB2 ALA A 13 60.860 6.885 -6.272 1.00 1.00 H new ATOM 0 HB3 ALA A 13 59.227 7.547 -6.522 1.00 1.00 H new ATOM 195 N THR A 14 59.757 11.200 -5.435 1.00 1.00 N ATOM 196 CA THR A 14 58.995 12.414 -5.848 1.00 1.00 C ATOM 197 C THR A 14 59.948 13.415 -6.505 1.00 1.00 C ATOM 198 O THR A 14 59.644 13.996 -7.527 1.00 1.00 O ATOM 199 CB THR A 14 58.353 13.055 -4.616 1.00 1.00 C ATOM 200 OG1 THR A 14 57.451 12.133 -4.021 1.00 1.00 O ATOM 201 CG2 THR A 14 57.596 14.318 -5.031 1.00 1.00 C ATOM 0 H THR A 14 60.165 11.241 -4.501 1.00 1.00 H new ATOM 0 HA THR A 14 58.218 12.132 -6.558 1.00 1.00 H new ATOM 0 HB THR A 14 59.129 13.320 -3.898 1.00 1.00 H new ATOM 0 HG1 THR A 14 57.851 11.763 -3.207 1.00 1.00 H new ATOM 0 HG21 THR A 14 57.139 14.774 -4.152 1.00 1.00 H new ATOM 0 HG22 THR A 14 58.290 15.025 -5.487 1.00 1.00 H new ATOM 0 HG23 THR A 14 56.819 14.057 -5.750 1.00 1.00 H new ATOM 209 N ARG A 15 61.099 13.622 -5.925 1.00 1.00 N ATOM 210 CA ARG A 15 62.069 14.587 -6.516 1.00 1.00 C ATOM 211 C ARG A 15 63.485 14.226 -6.064 1.00 1.00 C ATOM 212 O ARG A 15 64.272 13.703 -6.826 1.00 1.00 O ATOM 213 CB ARG A 15 61.729 16.003 -6.049 1.00 1.00 C ATOM 214 CG ARG A 15 62.480 17.020 -6.911 1.00 1.00 C ATOM 215 CD ARG A 15 62.445 18.390 -6.233 1.00 1.00 C ATOM 216 NE ARG A 15 61.030 18.832 -6.079 1.00 1.00 N ATOM 217 CZ ARG A 15 60.404 19.378 -7.086 1.00 1.00 C ATOM 218 NH1 ARG A 15 61.017 19.536 -8.227 1.00 1.00 N ATOM 219 NH2 ARG A 15 59.165 19.765 -6.951 1.00 1.00 N ATOM 0 H ARG A 15 61.409 13.165 -5.068 1.00 1.00 H new ATOM 0 HA ARG A 15 62.012 14.541 -7.604 1.00 1.00 H new ATOM 0 HB2 ARG A 15 60.655 16.173 -6.121 1.00 1.00 H new ATOM 0 HB3 ARG A 15 62.002 16.127 -5.001 1.00 1.00 H new ATOM 0 HG2 ARG A 15 63.512 16.700 -7.054 1.00 1.00 H new ATOM 0 HG3 ARG A 15 62.025 17.080 -7.900 1.00 1.00 H new ATOM 0 HD2 ARG A 15 62.929 18.337 -5.258 1.00 1.00 H new ATOM 0 HD3 ARG A 15 63.001 19.116 -6.826 1.00 1.00 H new ATOM 0 HE ARG A 15 60.551 18.708 -5.187 1.00 1.00 H new ATOM 0 HH11 ARG A 15 61.985 19.233 -8.332 1.00 1.00 H new ATOM 0 HH12 ARG A 15 60.528 19.963 -9.014 1.00 1.00 H new ATOM 0 HH21 ARG A 15 58.686 19.641 -6.059 1.00 1.00 H new ATOM 0 HH22 ARG A 15 58.675 20.192 -7.738 1.00 1.00 H new ATOM 233 N VAL A 16 63.809 14.503 -4.826 1.00 1.00 N ATOM 234 CA VAL A 16 65.171 14.184 -4.301 1.00 1.00 C ATOM 235 C VAL A 16 66.234 14.540 -5.348 1.00 1.00 C ATOM 236 O VAL A 16 65.937 15.113 -6.378 1.00 1.00 O ATOM 237 CB VAL A 16 65.249 12.689 -3.933 1.00 1.00 C ATOM 238 CG1 VAL A 16 65.126 11.843 -5.201 1.00 1.00 C ATOM 239 CG2 VAL A 16 66.592 12.401 -3.258 1.00 1.00 C ATOM 0 H VAL A 16 63.182 14.941 -4.151 1.00 1.00 H new ATOM 0 HA VAL A 16 65.360 14.775 -3.405 1.00 1.00 H new ATOM 0 HB VAL A 16 64.436 12.440 -3.251 1.00 1.00 H new ATOM 0 HG11 VAL A 16 65.181 10.786 -4.940 1.00 1.00 H new ATOM 0 HG12 VAL A 16 64.171 12.048 -5.684 1.00 1.00 H new ATOM 0 HG13 VAL A 16 65.938 12.091 -5.884 1.00 1.00 H new ATOM 0 HG21 VAL A 16 66.649 11.344 -2.997 1.00 1.00 H new ATOM 0 HG22 VAL A 16 67.404 12.650 -3.942 1.00 1.00 H new ATOM 0 HG23 VAL A 16 66.681 13.003 -2.354 1.00 1.00 H new ATOM 249 N MET A 17 67.472 14.219 -5.090 1.00 1.00 N ATOM 250 CA MET A 17 68.546 14.550 -6.069 1.00 1.00 C ATOM 251 C MET A 17 68.458 16.031 -6.439 1.00 1.00 C ATOM 252 O MET A 17 68.750 16.422 -7.552 1.00 1.00 O ATOM 253 CB MET A 17 68.373 13.699 -7.330 1.00 1.00 C ATOM 254 CG MET A 17 68.685 12.237 -7.006 1.00 1.00 C ATOM 255 SD MET A 17 70.445 12.067 -6.619 1.00 1.00 S ATOM 256 CE MET A 17 70.397 10.335 -6.098 1.00 1.00 C ATOM 0 H MET A 17 67.786 13.742 -4.245 1.00 1.00 H new ATOM 0 HA MET A 17 69.519 14.342 -5.623 1.00 1.00 H new ATOM 0 HB2 MET A 17 67.354 13.790 -7.706 1.00 1.00 H new ATOM 0 HB3 MET A 17 69.036 14.058 -8.117 1.00 1.00 H new ATOM 0 HG2 MET A 17 68.082 11.904 -6.161 1.00 1.00 H new ATOM 0 HG3 MET A 17 68.425 11.602 -7.853 1.00 1.00 H new ATOM 0 HE1 MET A 17 71.398 10.014 -5.809 1.00 1.00 H new ATOM 0 HE2 MET A 17 69.723 10.229 -5.248 1.00 1.00 H new ATOM 0 HE3 MET A 17 70.041 9.717 -6.922 1.00 1.00 H new ATOM 266 N GLY A 18 68.059 16.860 -5.513 1.00 1.00 N ATOM 267 CA GLY A 18 67.953 18.316 -5.813 1.00 1.00 C ATOM 268 C GLY A 18 66.995 18.976 -4.820 1.00 1.00 C ATOM 269 O GLY A 18 65.799 19.020 -5.031 1.00 1.00 O ATOM 0 H GLY A 18 67.802 16.592 -4.563 1.00 1.00 H new ATOM 0 HA2 GLY A 18 68.936 18.783 -5.751 1.00 1.00 H new ATOM 0 HA3 GLY A 18 67.595 18.463 -6.832 1.00 1.00 H new ATOM 273 N GLY A 19 67.511 19.491 -3.737 1.00 1.00 N ATOM 274 CA GLY A 19 66.630 20.150 -2.731 1.00 1.00 C ATOM 275 C GLY A 19 67.292 20.087 -1.353 1.00 1.00 C ATOM 276 O GLY A 19 68.350 19.514 -1.190 1.00 1.00 O ATOM 0 H GLY A 19 68.504 19.484 -3.505 1.00 1.00 H new ATOM 0 HA2 GLY A 19 66.451 21.188 -3.013 1.00 1.00 H new ATOM 0 HA3 GLY A 19 65.659 19.655 -2.703 1.00 1.00 H new ATOM 280 N PRO A 20 66.667 20.676 -0.368 1.00 1.00 N ATOM 281 CA PRO A 20 67.194 20.695 1.027 1.00 1.00 C ATOM 282 C PRO A 20 67.695 19.317 1.478 1.00 1.00 C ATOM 283 O PRO A 20 66.986 18.566 2.117 1.00 1.00 O ATOM 284 CB PRO A 20 65.986 21.133 1.859 1.00 1.00 C ATOM 285 CG PRO A 20 65.150 21.949 0.930 1.00 1.00 C ATOM 286 CD PRO A 20 65.385 21.392 -0.477 1.00 1.00 C ATOM 0 HA PRO A 20 68.055 21.355 1.130 1.00 1.00 H new ATOM 0 HB2 PRO A 20 65.433 20.272 2.234 1.00 1.00 H new ATOM 0 HB3 PRO A 20 66.295 21.716 2.726 1.00 1.00 H new ATOM 0 HG2 PRO A 20 64.096 21.885 1.201 1.00 1.00 H new ATOM 0 HG3 PRO A 20 65.429 23.001 0.981 1.00 1.00 H new ATOM 0 HD2 PRO A 20 64.579 20.724 -0.781 1.00 1.00 H new ATOM 0 HD3 PRO A 20 65.435 22.189 -1.219 1.00 1.00 H new ATOM 294 N CYS A 21 68.913 18.981 1.150 1.00 1.00 N ATOM 295 CA CYS A 21 69.454 17.655 1.560 1.00 1.00 C ATOM 296 C CYS A 21 69.634 17.627 3.080 1.00 1.00 C ATOM 297 O CYS A 21 70.553 18.214 3.617 1.00 1.00 O ATOM 298 CB CYS A 21 70.805 17.420 0.873 1.00 1.00 C ATOM 299 SG CYS A 21 70.828 15.767 0.135 1.00 1.00 S ATOM 0 H CYS A 21 69.556 19.567 0.617 1.00 1.00 H new ATOM 0 HA CYS A 21 68.759 16.869 1.265 1.00 1.00 H new ATOM 0 HB2 CYS A 21 70.970 18.175 0.105 1.00 1.00 H new ATOM 0 HB3 CYS A 21 71.615 17.518 1.596 1.00 1.00 H new ATOM 304 N THR A 22 68.763 16.949 3.776 1.00 1.00 N ATOM 305 CA THR A 22 68.883 16.883 5.260 1.00 1.00 C ATOM 306 C THR A 22 70.190 16.170 5.638 1.00 1.00 C ATOM 307 O THR A 22 70.368 15.006 5.338 1.00 1.00 O ATOM 308 CB THR A 22 67.694 16.099 5.827 1.00 1.00 C ATOM 309 OG1 THR A 22 67.808 16.027 7.241 1.00 1.00 O ATOM 310 CG2 THR A 22 67.685 14.686 5.241 1.00 1.00 C ATOM 0 H THR A 22 67.973 16.438 3.381 1.00 1.00 H new ATOM 0 HA THR A 22 68.889 17.892 5.672 1.00 1.00 H new ATOM 0 HB THR A 22 66.765 16.605 5.562 1.00 1.00 H new ATOM 0 HG1 THR A 22 67.048 15.527 7.605 1.00 1.00 H new ATOM 0 HG21 THR A 22 66.839 14.130 5.645 1.00 1.00 H new ATOM 0 HG22 THR A 22 67.597 14.743 4.156 1.00 1.00 H new ATOM 0 HG23 THR A 22 68.612 14.177 5.504 1.00 1.00 H new ATOM 318 N PRO A 23 71.104 16.851 6.292 1.00 1.00 N ATOM 319 CA PRO A 23 72.403 16.246 6.704 1.00 1.00 C ATOM 320 C PRO A 23 72.224 14.852 7.315 1.00 1.00 C ATOM 321 O PRO A 23 71.133 14.459 7.676 1.00 1.00 O ATOM 322 CB PRO A 23 72.942 17.228 7.746 1.00 1.00 C ATOM 323 CG PRO A 23 72.353 18.549 7.372 1.00 1.00 C ATOM 324 CD PRO A 23 71.003 18.260 6.707 1.00 1.00 C ATOM 0 HA PRO A 23 73.073 16.100 5.857 1.00 1.00 H new ATOM 0 HB2 PRO A 23 72.647 16.935 8.754 1.00 1.00 H new ATOM 0 HB3 PRO A 23 74.031 17.263 7.730 1.00 1.00 H new ATOM 0 HG2 PRO A 23 72.223 19.178 8.253 1.00 1.00 H new ATOM 0 HG3 PRO A 23 73.012 19.087 6.691 1.00 1.00 H new ATOM 0 HD2 PRO A 23 70.176 18.414 7.400 1.00 1.00 H new ATOM 0 HD3 PRO A 23 70.830 18.916 5.854 1.00 1.00 H new ATOM 332 N ARG A 24 73.286 14.103 7.434 1.00 1.00 N ATOM 333 CA ARG A 24 73.171 12.738 8.022 1.00 1.00 C ATOM 334 C ARG A 24 72.814 12.853 9.506 1.00 1.00 C ATOM 335 O ARG A 24 73.138 13.827 10.157 1.00 1.00 O ATOM 336 CB ARG A 24 74.510 12.001 7.868 1.00 1.00 C ATOM 337 CG ARG A 24 74.263 10.493 7.792 1.00 1.00 C ATOM 338 CD ARG A 24 74.199 10.059 6.326 1.00 1.00 C ATOM 339 NE ARG A 24 73.211 10.907 5.600 1.00 1.00 N ATOM 340 CZ ARG A 24 71.955 10.554 5.558 1.00 1.00 C ATOM 341 NH1 ARG A 24 71.564 9.460 6.152 1.00 1.00 N ATOM 342 NH2 ARG A 24 71.090 11.297 4.923 1.00 1.00 N ATOM 0 H ARG A 24 74.227 14.376 7.150 1.00 1.00 H new ATOM 0 HA ARG A 24 72.391 12.181 7.504 1.00 1.00 H new ATOM 0 HB2 ARG A 24 75.022 12.341 6.968 1.00 1.00 H new ATOM 0 HB3 ARG A 24 75.162 12.230 8.711 1.00 1.00 H new ATOM 0 HG2 ARG A 24 75.060 9.957 8.306 1.00 1.00 H new ATOM 0 HG3 ARG A 24 73.331 10.241 8.298 1.00 1.00 H new ATOM 0 HD2 ARG A 24 75.182 10.152 5.865 1.00 1.00 H new ATOM 0 HD3 ARG A 24 73.913 9.009 6.258 1.00 1.00 H new ATOM 0 HE ARG A 24 73.516 11.763 5.136 1.00 1.00 H new ATOM 0 HH11 ARG A 24 72.240 8.880 6.649 1.00 1.00 H new ATOM 0 HH12 ARG A 24 70.582 9.185 6.119 1.00 1.00 H new ATOM 0 HH21 ARG A 24 71.396 12.153 4.460 1.00 1.00 H new ATOM 0 HH22 ARG A 24 70.108 11.022 4.890 1.00 1.00 H new ATOM 356 N LYS A 25 72.150 11.868 10.049 1.00 1.00 N ATOM 357 CA LYS A 25 71.778 11.929 11.491 1.00 1.00 C ATOM 358 C LYS A 25 72.974 11.500 12.343 1.00 1.00 C ATOM 359 O LYS A 25 73.114 10.346 12.699 1.00 1.00 O ATOM 360 CB LYS A 25 70.594 10.991 11.758 1.00 1.00 C ATOM 361 CG LYS A 25 70.739 9.725 10.911 1.00 1.00 C ATOM 362 CD LYS A 25 69.942 9.884 9.615 1.00 1.00 C ATOM 363 CE LYS A 25 70.319 8.764 8.643 1.00 1.00 C ATOM 364 NZ LYS A 25 69.961 7.446 9.241 1.00 1.00 N ATOM 0 H LYS A 25 71.850 11.026 9.557 1.00 1.00 H new ATOM 0 HA LYS A 25 71.494 12.949 11.750 1.00 1.00 H new ATOM 0 HB2 LYS A 25 70.555 10.730 12.816 1.00 1.00 H new ATOM 0 HB3 LYS A 25 69.657 11.495 11.519 1.00 1.00 H new ATOM 0 HG2 LYS A 25 71.790 9.545 10.684 1.00 1.00 H new ATOM 0 HG3 LYS A 25 70.380 8.859 11.467 1.00 1.00 H new ATOM 0 HD2 LYS A 25 68.873 9.852 9.827 1.00 1.00 H new ATOM 0 HD3 LYS A 25 70.149 10.855 9.165 1.00 1.00 H new ATOM 0 HE2 LYS A 25 69.797 8.899 7.696 1.00 1.00 H new ATOM 0 HE3 LYS A 25 71.387 8.799 8.427 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 70.008 6.708 8.509 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 70.629 7.219 10.005 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 68.996 7.490 9.626 1.00 1.00 H new ATOM 378 N GLY A 26 73.838 12.420 12.673 1.00 1.00 N ATOM 379 CA GLY A 26 75.025 12.067 13.502 1.00 1.00 C ATOM 380 C GLY A 26 76.079 13.169 13.378 1.00 1.00 C ATOM 381 O GLY A 26 75.865 14.172 12.727 1.00 1.00 O ATOM 0 H GLY A 26 73.773 13.402 12.404 1.00 1.00 H new ATOM 0 HA2 GLY A 26 74.731 11.946 14.545 1.00 1.00 H new ATOM 0 HA3 GLY A 26 75.440 11.114 13.175 1.00 1.00 H new ATOM 385 N PRO A 27 77.210 12.979 14.002 1.00 1.00 N ATOM 386 CA PRO A 27 78.325 13.970 13.968 1.00 1.00 C ATOM 387 C PRO A 27 78.641 14.428 12.537 1.00 1.00 C ATOM 388 O PRO A 27 78.310 13.756 11.580 1.00 1.00 O ATOM 389 CB PRO A 27 79.510 13.203 14.565 1.00 1.00 C ATOM 390 CG PRO A 27 78.901 12.153 15.434 1.00 1.00 C ATOM 391 CD PRO A 27 77.550 11.797 14.811 1.00 1.00 C ATOM 0 HA PRO A 27 78.081 14.881 14.515 1.00 1.00 H new ATOM 0 HB2 PRO A 27 80.125 12.758 13.783 1.00 1.00 H new ATOM 0 HB3 PRO A 27 80.157 13.865 15.142 1.00 1.00 H new ATOM 0 HG2 PRO A 27 79.545 11.275 15.490 1.00 1.00 H new ATOM 0 HG3 PRO A 27 78.773 12.520 16.452 1.00 1.00 H new ATOM 0 HD2 PRO A 27 77.618 10.899 14.197 1.00 1.00 H new ATOM 0 HD3 PRO A 27 76.796 11.605 15.575 1.00 1.00 H new ATOM 399 N PRO A 28 79.279 15.562 12.391 1.00 1.00 N ATOM 400 CA PRO A 28 79.644 16.110 11.056 1.00 1.00 C ATOM 401 C PRO A 28 80.150 15.023 10.101 1.00 1.00 C ATOM 402 O PRO A 28 81.023 14.247 10.435 1.00 1.00 O ATOM 403 CB PRO A 28 80.757 17.107 11.378 1.00 1.00 C ATOM 404 CG PRO A 28 80.465 17.581 12.764 1.00 1.00 C ATOM 405 CD PRO A 28 79.725 16.446 13.481 1.00 1.00 C ATOM 0 HA PRO A 28 78.790 16.557 10.547 1.00 1.00 H new ATOM 0 HB2 PRO A 28 81.738 16.635 11.321 1.00 1.00 H new ATOM 0 HB3 PRO A 28 80.761 17.936 10.670 1.00 1.00 H new ATOM 0 HG2 PRO A 28 81.387 17.831 13.288 1.00 1.00 H new ATOM 0 HG3 PRO A 28 79.856 18.485 12.742 1.00 1.00 H new ATOM 0 HD2 PRO A 28 80.379 15.921 14.177 1.00 1.00 H new ATOM 0 HD3 PRO A 28 78.881 16.823 14.059 1.00 1.00 H new ATOM 413 N LYS A 29 79.609 14.965 8.914 1.00 1.00 N ATOM 414 CA LYS A 29 80.056 13.932 7.936 1.00 1.00 C ATOM 415 C LYS A 29 79.945 12.543 8.578 1.00 1.00 C ATOM 416 O LYS A 29 78.966 11.847 8.401 1.00 1.00 O ATOM 417 CB LYS A 29 81.514 14.214 7.527 1.00 1.00 C ATOM 418 CG LYS A 29 81.588 14.435 6.015 1.00 1.00 C ATOM 419 CD LYS A 29 80.993 15.801 5.668 1.00 1.00 C ATOM 420 CE LYS A 29 81.421 16.200 4.254 1.00 1.00 C ATOM 421 NZ LYS A 29 81.519 14.982 3.402 1.00 1.00 N ATOM 0 H LYS A 29 78.875 15.590 8.579 1.00 1.00 H new ATOM 0 HA LYS A 29 79.425 13.964 7.048 1.00 1.00 H new ATOM 0 HB2 LYS A 29 81.886 15.094 8.052 1.00 1.00 H new ATOM 0 HB3 LYS A 29 82.151 13.378 7.814 1.00 1.00 H new ATOM 0 HG2 LYS A 29 82.624 14.382 5.680 1.00 1.00 H new ATOM 0 HG3 LYS A 29 81.044 13.647 5.495 1.00 1.00 H new ATOM 0 HD2 LYS A 29 79.906 15.763 5.733 1.00 1.00 H new ATOM 0 HD3 LYS A 29 81.329 16.549 6.386 1.00 1.00 H new ATOM 0 HE2 LYS A 29 80.700 16.898 3.828 1.00 1.00 H new ATOM 0 HE3 LYS A 29 82.382 16.713 4.285 1.00 1.00 H new ATOM 435 N CYS A 30 80.940 12.136 9.320 1.00 1.00 N ATOM 436 CA CYS A 30 80.890 10.795 9.969 1.00 1.00 C ATOM 437 C CYS A 30 82.202 10.544 10.716 1.00 1.00 C ATOM 438 O CYS A 30 82.466 11.139 11.743 1.00 1.00 O ATOM 439 CB CYS A 30 80.695 9.715 8.900 1.00 1.00 C ATOM 440 SG CYS A 30 81.677 10.129 7.437 1.00 1.00 S ATOM 0 H CYS A 30 81.786 12.675 9.505 1.00 1.00 H new ATOM 0 HA CYS A 30 80.058 10.762 10.672 1.00 1.00 H new ATOM 0 HB2 CYS A 30 80.997 8.743 9.291 1.00 1.00 H new ATOM 0 HB3 CYS A 30 79.641 9.638 8.634 1.00 1.00 H new ATOM 445 N LYS A 31 83.027 9.668 10.208 1.00 1.00 N ATOM 446 CA LYS A 31 84.325 9.375 10.885 1.00 1.00 C ATOM 447 C LYS A 31 85.421 9.214 9.829 1.00 1.00 C ATOM 448 O LYS A 31 85.196 9.413 8.652 1.00 1.00 O ATOM 449 CB LYS A 31 84.204 8.078 11.693 1.00 1.00 C ATOM 450 CG LYS A 31 83.202 8.271 12.833 1.00 1.00 C ATOM 451 CD LYS A 31 81.834 7.732 12.407 1.00 1.00 C ATOM 452 CE LYS A 31 80.797 8.066 13.480 1.00 1.00 C ATOM 453 NZ LYS A 31 81.088 7.283 14.714 1.00 1.00 N ATOM 0 H LYS A 31 82.858 9.141 9.351 1.00 1.00 H new ATOM 0 HA LYS A 31 84.578 10.196 11.555 1.00 1.00 H new ATOM 0 HB2 LYS A 31 83.880 7.264 11.045 1.00 1.00 H new ATOM 0 HB3 LYS A 31 85.177 7.797 12.095 1.00 1.00 H new ATOM 0 HG2 LYS A 31 83.547 7.751 13.727 1.00 1.00 H new ATOM 0 HG3 LYS A 31 83.125 9.328 13.089 1.00 1.00 H new ATOM 0 HD2 LYS A 31 81.540 8.170 11.453 1.00 1.00 H new ATOM 0 HD3 LYS A 31 81.886 6.653 12.260 1.00 1.00 H new ATOM 0 HE2 LYS A 31 80.817 9.133 13.701 1.00 1.00 H new ATOM 0 HE3 LYS A 31 79.795 7.834 13.117 1.00 1.00 H new ATOM 0 HZ1 LYS A 31 80.274 7.336 15.359 1.00 1.00 H new ATOM 0 HZ2 LYS A 31 81.265 6.290 14.461 1.00 1.00 H new ATOM 0 HZ3 LYS A 31 81.928 7.676 15.184 1.00 1.00 H new ATOM 467 N GLN A 32 86.607 8.855 10.242 1.00 1.00 N ATOM 468 CA GLN A 32 87.719 8.681 9.263 1.00 1.00 C ATOM 469 C GLN A 32 87.747 7.236 8.771 1.00 1.00 C ATOM 470 O GLN A 32 87.318 6.931 7.676 1.00 1.00 O ATOM 471 CB GLN A 32 89.051 9.017 9.938 1.00 1.00 C ATOM 472 CG GLN A 32 90.156 9.088 8.882 1.00 1.00 C ATOM 473 CD GLN A 32 91.522 9.060 9.569 1.00 1.00 C ATOM 474 OE1 GLN A 32 91.711 9.681 10.596 1.00 1.00 O ATOM 475 NE2 GLN A 32 92.490 8.361 9.042 1.00 1.00 N ATOM 0 H GLN A 32 86.854 8.675 11.215 1.00 1.00 H new ATOM 0 HA GLN A 32 87.562 9.348 8.416 1.00 1.00 H new ATOM 0 HB2 GLN A 32 88.974 9.969 10.464 1.00 1.00 H new ATOM 0 HB3 GLN A 32 89.294 8.260 10.683 1.00 1.00 H new ATOM 0 HG2 GLN A 32 90.068 8.250 8.191 1.00 1.00 H new ATOM 0 HG3 GLN A 32 90.052 9.999 8.293 1.00 1.00 H new ATOM 0 HE21 GLN A 32 92.332 7.840 8.180 1.00 1.00 H new ATOM 0 HE22 GLN A 32 93.405 8.336 9.492 1.00 1.00 H new ATOM 484 N ARG A 33 88.254 6.349 9.576 1.00 1.00 N ATOM 485 CA ARG A 33 88.324 4.914 9.174 1.00 1.00 C ATOM 486 C ARG A 33 89.097 4.787 7.860 1.00 1.00 C ATOM 487 O ARG A 33 89.257 5.742 7.126 1.00 1.00 O ATOM 488 CB ARG A 33 86.909 4.358 8.992 1.00 1.00 C ATOM 489 CG ARG A 33 86.135 4.490 10.305 1.00 1.00 C ATOM 490 CD ARG A 33 84.754 3.850 10.151 1.00 1.00 C ATOM 491 NE ARG A 33 84.156 3.630 11.498 1.00 1.00 N ATOM 492 CZ ARG A 33 82.936 3.179 11.604 1.00 1.00 C ATOM 493 NH1 ARG A 33 82.240 2.921 10.531 1.00 1.00 N ATOM 494 NH2 ARG A 33 82.412 2.986 12.784 1.00 1.00 N ATOM 0 H ARG A 33 88.627 6.555 10.503 1.00 1.00 H new ATOM 0 HA ARG A 33 88.836 4.347 9.952 1.00 1.00 H new ATOM 0 HB2 ARG A 33 86.394 4.899 8.198 1.00 1.00 H new ATOM 0 HB3 ARG A 33 86.954 3.312 8.688 1.00 1.00 H new ATOM 0 HG2 ARG A 33 86.684 4.006 11.113 1.00 1.00 H new ATOM 0 HG3 ARG A 33 86.032 5.541 10.575 1.00 1.00 H new ATOM 0 HD2 ARG A 33 84.107 4.494 9.555 1.00 1.00 H new ATOM 0 HD3 ARG A 33 84.838 2.902 9.619 1.00 1.00 H new ATOM 0 HE ARG A 33 84.700 3.832 12.337 1.00 1.00 H new ATOM 0 HH11 ARG A 33 82.649 3.072 9.609 1.00 1.00 H new ATOM 0 HH12 ARG A 33 81.286 2.568 10.614 1.00 1.00 H new ATOM 0 HH21 ARG A 33 82.956 3.188 13.623 1.00 1.00 H new ATOM 0 HH22 ARG A 33 81.458 2.634 12.867 1.00 1.00 H new ATOM 508 N GLN A 34 89.580 3.613 7.558 1.00 1.00 N ATOM 509 CA GLN A 34 90.343 3.425 6.293 1.00 1.00 C ATOM 510 C GLN A 34 90.530 1.931 6.029 1.00 1.00 C ATOM 511 O GLN A 34 90.436 1.472 4.908 1.00 1.00 O ATOM 512 CB GLN A 34 91.714 4.093 6.419 1.00 1.00 C ATOM 513 CG GLN A 34 92.380 4.158 5.043 1.00 1.00 C ATOM 514 CD GLN A 34 93.706 4.912 5.152 1.00 1.00 C ATOM 515 OE1 GLN A 34 94.644 4.622 4.437 1.00 1.00 O ATOM 516 NE2 GLN A 34 93.825 5.876 6.024 1.00 1.00 N ATOM 0 H GLN A 34 89.479 2.776 8.133 1.00 1.00 H new ATOM 0 HA GLN A 34 89.793 3.876 5.467 1.00 1.00 H new ATOM 0 HB2 GLN A 34 91.605 5.097 6.829 1.00 1.00 H new ATOM 0 HB3 GLN A 34 92.341 3.532 7.112 1.00 1.00 H new ATOM 0 HG2 GLN A 34 92.552 3.151 4.663 1.00 1.00 H new ATOM 0 HG3 GLN A 34 91.722 4.659 4.332 1.00 1.00 H new ATOM 0 HE21 GLN A 34 93.038 6.120 6.625 1.00 1.00 H new ATOM 0 HE22 GLN A 34 94.705 6.385 6.105 1.00 1.00 H new ATOM 525 N THR A 35 90.797 1.172 7.054 1.00 1.00 N ATOM 526 CA THR A 35 90.995 -0.295 6.872 1.00 1.00 C ATOM 527 C THR A 35 92.213 -0.542 5.978 1.00 1.00 C ATOM 528 O THR A 35 92.687 -1.653 5.857 1.00 1.00 O ATOM 529 CB THR A 35 89.747 -0.906 6.223 1.00 1.00 C ATOM 530 OG1 THR A 35 88.585 -0.313 6.785 1.00 1.00 O ATOM 531 CG2 THR A 35 89.725 -2.415 6.475 1.00 1.00 C ATOM 0 H THR A 35 90.887 1.504 8.014 1.00 1.00 H new ATOM 0 HA THR A 35 91.161 -0.760 7.844 1.00 1.00 H new ATOM 0 HB THR A 35 89.767 -0.720 5.149 1.00 1.00 H new ATOM 0 HG1 THR A 35 87.786 -0.701 6.370 1.00 1.00 H new ATOM 0 HG21 THR A 35 88.838 -2.848 6.013 1.00 1.00 H new ATOM 0 HG22 THR A 35 90.617 -2.869 6.043 1.00 1.00 H new ATOM 0 HG23 THR A 35 89.705 -2.604 7.548 1.00 1.00 H new ATOM 539 N ARG A 36 92.719 0.488 5.349 1.00 1.00 N ATOM 540 CA ARG A 36 93.907 0.326 4.459 1.00 1.00 C ATOM 541 C ARG A 36 93.589 -0.660 3.329 1.00 1.00 C ATOM 542 O ARG A 36 94.253 -0.683 2.312 1.00 1.00 O ATOM 543 CB ARG A 36 95.100 -0.187 5.276 1.00 1.00 C ATOM 544 CG ARG A 36 95.477 0.845 6.341 1.00 1.00 C ATOM 545 CD ARG A 36 95.633 0.149 7.694 1.00 1.00 C ATOM 546 NE ARG A 36 94.287 -0.166 8.249 1.00 1.00 N ATOM 547 CZ ARG A 36 94.170 -0.596 9.475 1.00 1.00 C ATOM 548 NH1 ARG A 36 95.234 -0.750 10.216 1.00 1.00 N ATOM 549 NH2 ARG A 36 92.991 -0.872 9.961 1.00 1.00 N ATOM 0 H ARG A 36 92.358 1.440 5.415 1.00 1.00 H new ATOM 0 HA ARG A 36 94.158 1.293 4.023 1.00 1.00 H new ATOM 0 HB2 ARG A 36 94.848 -1.136 5.749 1.00 1.00 H new ATOM 0 HB3 ARG A 36 95.950 -0.373 4.619 1.00 1.00 H new ATOM 0 HG2 ARG A 36 96.407 1.343 6.067 1.00 1.00 H new ATOM 0 HG3 ARG A 36 94.709 1.616 6.403 1.00 1.00 H new ATOM 0 HD2 ARG A 36 96.214 -0.766 7.579 1.00 1.00 H new ATOM 0 HD3 ARG A 36 96.181 0.790 8.384 1.00 1.00 H new ATOM 0 HE ARG A 36 93.456 -0.045 7.670 1.00 1.00 H new ATOM 0 HH11 ARG A 36 96.156 -0.534 9.836 1.00 1.00 H new ATOM 0 HH12 ARG A 36 95.143 -1.086 11.175 1.00 1.00 H new ATOM 0 HH21 ARG A 36 92.160 -0.752 9.382 1.00 1.00 H new ATOM 0 HH22 ARG A 36 92.901 -1.208 10.920 1.00 1.00 H new ATOM 563 N GLN A 37 92.579 -1.474 3.492 1.00 1.00 N ATOM 564 CA GLN A 37 92.226 -2.450 2.421 1.00 1.00 C ATOM 565 C GLN A 37 90.954 -3.203 2.822 1.00 1.00 C ATOM 566 O GLN A 37 90.589 -3.246 3.980 1.00 1.00 O ATOM 567 CB GLN A 37 93.380 -3.448 2.232 1.00 1.00 C ATOM 568 CG GLN A 37 93.545 -3.764 0.744 1.00 1.00 C ATOM 569 CD GLN A 37 94.288 -2.615 0.058 1.00 1.00 C ATOM 570 OE1 GLN A 37 95.501 -2.561 0.082 1.00 1.00 O ATOM 571 NE2 GLN A 37 93.605 -1.689 -0.558 1.00 1.00 N ATOM 0 H GLN A 37 91.984 -1.505 4.320 1.00 1.00 H new ATOM 0 HA GLN A 37 92.055 -1.919 1.485 1.00 1.00 H new ATOM 0 HB2 GLN A 37 94.305 -3.030 2.630 1.00 1.00 H new ATOM 0 HB3 GLN A 37 93.178 -4.363 2.789 1.00 1.00 H new ATOM 0 HG2 GLN A 37 94.097 -4.695 0.618 1.00 1.00 H new ATOM 0 HG3 GLN A 37 92.569 -3.908 0.281 1.00 1.00 H new ATOM 0 HE21 GLN A 37 92.586 -1.735 -0.578 1.00 1.00 H new ATOM 0 HE22 GLN A 37 94.090 -0.920 -1.020 1.00 1.00 H new ATOM 580 N CYS A 38 90.280 -3.800 1.874 1.00 1.00 N ATOM 581 CA CYS A 38 89.035 -4.555 2.196 1.00 1.00 C ATOM 582 C CYS A 38 89.106 -5.942 1.551 1.00 1.00 C ATOM 583 O CYS A 38 88.146 -6.687 1.547 1.00 1.00 O ATOM 584 CB CYS A 38 87.819 -3.784 1.662 1.00 1.00 C ATOM 585 SG CYS A 38 87.128 -4.655 0.234 1.00 1.00 S ATOM 0 H CYS A 38 90.540 -3.797 0.888 1.00 1.00 H new ATOM 0 HA CYS A 38 88.937 -4.667 3.276 1.00 1.00 H new ATOM 0 HB2 CYS A 38 87.064 -3.689 2.443 1.00 1.00 H new ATOM 0 HB3 CYS A 38 88.113 -2.774 1.377 1.00 1.00 H new ATOM 590 N LYS A 39 90.242 -6.291 1.007 1.00 1.00 N ATOM 591 CA LYS A 39 90.393 -7.627 0.359 1.00 1.00 C ATOM 592 C LYS A 39 89.746 -7.594 -1.028 1.00 1.00 C ATOM 593 O LYS A 39 88.617 -7.174 -1.188 1.00 1.00 O ATOM 594 CB LYS A 39 89.717 -8.703 1.223 1.00 1.00 C ATOM 595 CG LYS A 39 90.497 -10.014 1.115 1.00 1.00 C ATOM 596 CD LYS A 39 91.662 -9.999 2.106 1.00 1.00 C ATOM 597 CE LYS A 39 91.116 -9.997 3.536 1.00 1.00 C ATOM 598 NZ LYS A 39 89.730 -10.545 3.539 1.00 1.00 N ATOM 0 H LYS A 39 91.076 -5.705 0.984 1.00 1.00 H new ATOM 0 HA LYS A 39 91.452 -7.865 0.260 1.00 1.00 H new ATOM 0 HB2 LYS A 39 89.677 -8.377 2.262 1.00 1.00 H new ATOM 0 HB3 LYS A 39 88.688 -8.853 0.896 1.00 1.00 H new ATOM 0 HG2 LYS A 39 89.840 -10.858 1.323 1.00 1.00 H new ATOM 0 HG3 LYS A 39 90.871 -10.144 0.100 1.00 1.00 H new ATOM 0 HD2 LYS A 39 92.298 -10.870 1.949 1.00 1.00 H new ATOM 0 HD3 LYS A 39 92.282 -9.118 1.941 1.00 1.00 H new ATOM 0 HE2 LYS A 39 91.757 -10.597 4.182 1.00 1.00 H new ATOM 0 HE3 LYS A 39 91.119 -8.983 3.936 1.00 1.00 H new ATOM 0 HZ1 LYS A 39 89.459 -10.798 4.511 1.00 1.00 H new ATOM 0 HZ2 LYS A 39 89.072 -9.828 3.171 1.00 1.00 H new ATOM 0 HZ3 LYS A 39 89.690 -11.392 2.937 1.00 1.00 H new ATOM 612 N SER A 40 90.454 -8.034 -2.032 1.00 1.00 N ATOM 613 CA SER A 40 89.883 -8.028 -3.408 1.00 1.00 C ATOM 614 C SER A 40 88.893 -9.184 -3.556 1.00 1.00 C ATOM 615 O SER A 40 88.012 -9.155 -4.393 1.00 1.00 O ATOM 616 CB SER A 40 91.011 -8.192 -4.427 1.00 1.00 C ATOM 617 OG SER A 40 92.045 -7.263 -4.135 1.00 1.00 O ATOM 0 H SER A 40 91.404 -8.398 -1.958 1.00 1.00 H new ATOM 0 HA SER A 40 89.367 -7.084 -3.583 1.00 1.00 H new ATOM 0 HB2 SER A 40 91.401 -9.209 -4.395 1.00 1.00 H new ATOM 0 HB3 SER A 40 90.632 -8.027 -5.436 1.00 1.00 H new ATOM 0 HG SER A 40 92.771 -7.366 -4.785 1.00 1.00 H new ATOM 623 N LYS A 41 89.029 -10.204 -2.753 1.00 1.00 N ATOM 624 CA LYS A 41 88.099 -11.359 -2.848 1.00 1.00 C ATOM 625 C LYS A 41 87.898 -11.960 -1.449 1.00 1.00 C ATOM 626 O LYS A 41 88.535 -12.928 -1.082 1.00 1.00 O ATOM 627 CB LYS A 41 88.704 -12.413 -3.794 1.00 1.00 C ATOM 628 CG LYS A 41 87.617 -12.950 -4.727 1.00 1.00 C ATOM 629 CD LYS A 41 86.562 -13.696 -3.907 1.00 1.00 C ATOM 630 CE LYS A 41 87.019 -15.137 -3.677 1.00 1.00 C ATOM 631 NZ LYS A 41 87.272 -15.794 -4.991 1.00 1.00 N ATOM 0 H LYS A 41 89.748 -10.285 -2.034 1.00 1.00 H new ATOM 0 HA LYS A 41 87.135 -11.035 -3.240 1.00 1.00 H new ATOM 0 HB2 LYS A 41 89.512 -11.972 -4.377 1.00 1.00 H new ATOM 0 HB3 LYS A 41 89.137 -13.229 -3.216 1.00 1.00 H new ATOM 0 HG2 LYS A 41 87.154 -12.129 -5.274 1.00 1.00 H new ATOM 0 HG3 LYS A 41 88.056 -13.618 -5.468 1.00 1.00 H new ATOM 0 HD2 LYS A 41 86.408 -13.195 -2.951 1.00 1.00 H new ATOM 0 HD3 LYS A 41 85.606 -13.686 -4.430 1.00 1.00 H new ATOM 0 HE2 LYS A 41 87.925 -15.150 -3.071 1.00 1.00 H new ATOM 0 HE3 LYS A 41 86.258 -15.687 -3.124 1.00 1.00 H new ATOM 0 HZ1 LYS A 41 87.034 -16.804 -4.925 1.00 1.00 H new ATOM 0 HZ2 LYS A 41 86.683 -15.346 -5.722 1.00 1.00 H new ATOM 0 HZ3 LYS A 41 88.276 -15.690 -5.243 1.00 1.00 H new ATOM 645 N PRO A 42 87.014 -11.388 -0.675 1.00 1.00 N ATOM 646 CA PRO A 42 86.717 -11.871 0.699 1.00 1.00 C ATOM 647 C PRO A 42 85.679 -13.002 0.695 1.00 1.00 C ATOM 648 O PRO A 42 84.876 -13.108 -0.211 1.00 1.00 O ATOM 649 CB PRO A 42 86.157 -10.627 1.388 1.00 1.00 C ATOM 650 CG PRO A 42 85.507 -9.836 0.298 1.00 1.00 C ATOM 651 CD PRO A 42 86.200 -10.211 -1.018 1.00 1.00 C ATOM 0 HA PRO A 42 87.593 -12.289 1.194 1.00 1.00 H new ATOM 0 HB2 PRO A 42 85.438 -10.895 2.162 1.00 1.00 H new ATOM 0 HB3 PRO A 42 86.948 -10.055 1.872 1.00 1.00 H new ATOM 0 HG2 PRO A 42 84.441 -10.057 0.247 1.00 1.00 H new ATOM 0 HG3 PRO A 42 85.602 -8.767 0.491 1.00 1.00 H new ATOM 0 HD2 PRO A 42 85.475 -10.442 -1.798 1.00 1.00 H new ATOM 0 HD3 PRO A 42 86.818 -9.394 -1.389 1.00 1.00 H new ATOM 659 N PRO A 43 85.692 -13.838 1.701 1.00 1.00 N ATOM 660 CA PRO A 43 84.731 -14.975 1.809 1.00 1.00 C ATOM 661 C PRO A 43 83.325 -14.506 2.198 1.00 1.00 C ATOM 662 O PRO A 43 83.132 -13.873 3.217 1.00 1.00 O ATOM 663 CB PRO A 43 85.332 -15.847 2.915 1.00 1.00 C ATOM 664 CG PRO A 43 86.111 -14.903 3.770 1.00 1.00 C ATOM 665 CD PRO A 43 86.617 -13.793 2.845 1.00 1.00 C ATOM 0 HA PRO A 43 84.606 -15.498 0.861 1.00 1.00 H new ATOM 0 HB2 PRO A 43 84.553 -16.349 3.489 1.00 1.00 H new ATOM 0 HB3 PRO A 43 85.973 -16.625 2.500 1.00 1.00 H new ATOM 0 HG2 PRO A 43 85.486 -14.492 4.563 1.00 1.00 H new ATOM 0 HG3 PRO A 43 86.943 -15.414 4.253 1.00 1.00 H new ATOM 0 HD2 PRO A 43 86.596 -12.821 3.338 1.00 1.00 H new ATOM 0 HD3 PRO A 43 87.646 -13.970 2.534 1.00 1.00 H new ATOM 673 N LYS A 44 82.342 -14.815 1.396 1.00 1.00 N ATOM 674 CA LYS A 44 80.950 -14.390 1.722 1.00 1.00 C ATOM 675 C LYS A 44 79.987 -14.940 0.668 1.00 1.00 C ATOM 676 O LYS A 44 78.856 -15.273 0.962 1.00 1.00 O ATOM 677 CB LYS A 44 80.865 -12.860 1.740 1.00 1.00 C ATOM 678 CG LYS A 44 81.503 -12.297 0.469 1.00 1.00 C ATOM 679 CD LYS A 44 81.575 -10.771 0.565 1.00 1.00 C ATOM 680 CE LYS A 44 81.849 -10.184 -0.820 1.00 1.00 C ATOM 681 NZ LYS A 44 80.580 -10.135 -1.599 1.00 1.00 N ATOM 0 H LYS A 44 82.443 -15.343 0.529 1.00 1.00 H new ATOM 0 HA LYS A 44 80.678 -14.778 2.704 1.00 1.00 H new ATOM 0 HB2 LYS A 44 79.824 -12.544 1.807 1.00 1.00 H new ATOM 0 HB3 LYS A 44 81.375 -12.467 2.620 1.00 1.00 H new ATOM 0 HG2 LYS A 44 82.503 -12.711 0.337 1.00 1.00 H new ATOM 0 HG3 LYS A 44 80.919 -12.590 -0.404 1.00 1.00 H new ATOM 0 HD2 LYS A 44 80.639 -10.377 0.960 1.00 1.00 H new ATOM 0 HD3 LYS A 44 82.363 -10.477 1.259 1.00 1.00 H new ATOM 0 HE2 LYS A 44 82.269 -9.183 -0.726 1.00 1.00 H new ATOM 0 HE3 LYS A 44 82.587 -10.791 -1.344 1.00 1.00 H new ATOM 0 HZ1 LYS A 44 80.785 -10.288 -2.607 1.00 1.00 H new ATOM 0 HZ2 LYS A 44 79.936 -10.878 -1.260 1.00 1.00 H new ATOM 0 HZ3 LYS A 44 80.132 -9.205 -1.475 1.00 1.00 H new ATOM 695 N LYS A 45 80.424 -15.039 -0.558 1.00 1.00 N ATOM 696 CA LYS A 45 79.529 -15.569 -1.627 1.00 1.00 C ATOM 697 C LYS A 45 78.855 -16.853 -1.134 1.00 1.00 C ATOM 698 O LYS A 45 79.490 -17.875 -0.965 1.00 1.00 O ATOM 699 CB LYS A 45 80.357 -15.869 -2.886 1.00 1.00 C ATOM 700 CG LYS A 45 80.298 -14.671 -3.836 1.00 1.00 C ATOM 701 CD LYS A 45 79.014 -14.741 -4.666 1.00 1.00 C ATOM 702 CE LYS A 45 79.255 -15.601 -5.909 1.00 1.00 C ATOM 703 NZ LYS A 45 79.886 -14.769 -6.973 1.00 1.00 N ATOM 0 H LYS A 45 81.360 -14.776 -0.866 1.00 1.00 H new ATOM 0 HA LYS A 45 78.766 -14.828 -1.866 1.00 1.00 H new ATOM 0 HB2 LYS A 45 81.391 -16.078 -2.612 1.00 1.00 H new ATOM 0 HB3 LYS A 45 79.972 -16.760 -3.383 1.00 1.00 H new ATOM 0 HG2 LYS A 45 80.326 -13.741 -3.268 1.00 1.00 H new ATOM 0 HG3 LYS A 45 81.168 -14.670 -4.492 1.00 1.00 H new ATOM 0 HD2 LYS A 45 78.206 -15.164 -4.070 1.00 1.00 H new ATOM 0 HD3 LYS A 45 78.703 -13.738 -4.959 1.00 1.00 H new ATOM 0 HE2 LYS A 45 79.900 -16.444 -5.662 1.00 1.00 H new ATOM 0 HE3 LYS A 45 78.312 -16.015 -6.267 1.00 1.00 H new ATOM 0 HZ1 LYS A 45 80.050 -15.352 -7.818 1.00 1.00 H new ATOM 0 HZ2 LYS A 45 79.255 -13.978 -7.215 1.00 1.00 H new ATOM 0 HZ3 LYS A 45 80.793 -14.395 -6.629 1.00 1.00 H new ATOM 717 N GLY A 46 77.571 -16.806 -0.901 1.00 1.00 N ATOM 718 CA GLY A 46 76.854 -18.021 -0.419 1.00 1.00 C ATOM 719 C GLY A 46 75.632 -17.600 0.398 1.00 1.00 C ATOM 720 O GLY A 46 75.253 -18.256 1.347 1.00 1.00 O ATOM 0 H GLY A 46 76.988 -15.978 -1.024 1.00 1.00 H new ATOM 0 HA2 GLY A 46 76.545 -18.634 -1.266 1.00 1.00 H new ATOM 0 HA3 GLY A 46 77.520 -18.632 0.191 1.00 1.00 H new ATOM 724 N VAL A 47 75.013 -16.508 0.036 1.00 1.00 N ATOM 725 CA VAL A 47 73.814 -16.040 0.789 1.00 1.00 C ATOM 726 C VAL A 47 74.179 -15.843 2.263 1.00 1.00 C ATOM 727 O VAL A 47 74.420 -14.738 2.708 1.00 1.00 O ATOM 728 CB VAL A 47 72.697 -17.079 0.670 1.00 1.00 C ATOM 729 CG1 VAL A 47 71.382 -16.475 1.167 1.00 1.00 C ATOM 730 CG2 VAL A 47 72.544 -17.496 -0.794 1.00 1.00 C ATOM 0 H VAL A 47 75.287 -15.919 -0.750 1.00 1.00 H new ATOM 0 HA VAL A 47 73.472 -15.093 0.373 1.00 1.00 H new ATOM 0 HB VAL A 47 72.947 -17.952 1.274 1.00 1.00 H new ATOM 0 HG11 VAL A 47 70.587 -17.215 1.082 1.00 1.00 H new ATOM 0 HG12 VAL A 47 71.490 -16.176 2.210 1.00 1.00 H new ATOM 0 HG13 VAL A 47 71.131 -15.602 0.564 1.00 1.00 H new ATOM 0 HG21 VAL A 47 71.749 -18.236 -0.880 1.00 1.00 H new ATOM 0 HG22 VAL A 47 72.294 -16.623 -1.397 1.00 1.00 H new ATOM 0 HG23 VAL A 47 73.480 -17.926 -1.149 1.00 1.00 H new ATOM 740 N GLN A 48 74.221 -16.902 3.024 1.00 1.00 N ATOM 741 CA GLN A 48 74.571 -16.769 4.467 1.00 1.00 C ATOM 742 C GLN A 48 75.925 -16.068 4.601 1.00 1.00 C ATOM 743 O GLN A 48 76.965 -16.662 4.397 1.00 1.00 O ATOM 744 CB GLN A 48 74.651 -18.159 5.102 1.00 1.00 C ATOM 745 CG GLN A 48 74.650 -18.026 6.626 1.00 1.00 C ATOM 746 CD GLN A 48 73.243 -17.666 7.107 1.00 1.00 C ATOM 747 OE1 GLN A 48 72.915 -16.505 7.250 1.00 1.00 O ATOM 748 NE2 GLN A 48 72.390 -18.620 7.363 1.00 1.00 N ATOM 0 H GLN A 48 74.028 -17.853 2.710 1.00 1.00 H new ATOM 0 HA GLN A 48 73.806 -16.181 4.974 1.00 1.00 H new ATOM 0 HB2 GLN A 48 73.806 -18.767 4.779 1.00 1.00 H new ATOM 0 HB3 GLN A 48 75.556 -18.670 4.772 1.00 1.00 H new ATOM 0 HG2 GLN A 48 74.974 -18.961 7.083 1.00 1.00 H new ATOM 0 HG3 GLN A 48 75.359 -17.258 6.935 1.00 1.00 H new ATOM 0 HE21 GLN A 48 72.664 -19.595 7.243 1.00 1.00 H new ATOM 0 HE22 GLN A 48 71.449 -18.390 7.683 1.00 1.00 H new ATOM 757 N GLY A 49 75.920 -14.809 4.943 1.00 1.00 N ATOM 758 CA GLY A 49 77.207 -14.072 5.090 1.00 1.00 C ATOM 759 C GLY A 49 76.924 -12.618 5.472 1.00 1.00 C ATOM 760 O GLY A 49 76.228 -11.907 4.774 1.00 1.00 O ATOM 0 H GLY A 49 75.081 -14.259 5.127 1.00 1.00 H new ATOM 0 HA2 GLY A 49 77.824 -14.546 5.853 1.00 1.00 H new ATOM 0 HA3 GLY A 49 77.769 -14.111 4.157 1.00 1.00 H new ATOM 764 N CYS A 50 77.458 -12.170 6.575 1.00 1.00 N ATOM 765 CA CYS A 50 77.220 -10.762 7.001 1.00 1.00 C ATOM 766 C CYS A 50 78.232 -10.379 8.083 1.00 1.00 C ATOM 767 O CYS A 50 77.895 -10.246 9.243 1.00 1.00 O ATOM 768 CB CYS A 50 75.801 -10.632 7.559 1.00 1.00 C ATOM 769 SG CYS A 50 75.631 -9.045 8.413 1.00 1.00 S ATOM 0 H CYS A 50 78.049 -12.718 7.200 1.00 1.00 H new ATOM 0 HA CYS A 50 77.336 -10.098 6.145 1.00 1.00 H new ATOM 0 HB2 CYS A 50 75.073 -10.702 6.751 1.00 1.00 H new ATOM 0 HB3 CYS A 50 75.593 -11.451 8.247 1.00 1.00 H new ATOM 774 N GLY A 51 79.470 -10.200 7.713 1.00 1.00 N ATOM 775 CA GLY A 51 80.503 -9.825 8.721 1.00 1.00 C ATOM 776 C GLY A 51 80.592 -10.913 9.792 1.00 1.00 C ATOM 777 O GLY A 51 81.478 -11.745 9.774 1.00 1.00 O ATOM 0 H GLY A 51 79.812 -10.297 6.757 1.00 1.00 H new ATOM 0 HA2 GLY A 51 81.471 -9.698 8.235 1.00 1.00 H new ATOM 0 HA3 GLY A 51 80.249 -8.869 9.179 1.00 1.00 H new ATOM 781 N ASP A 52 79.680 -10.916 10.727 1.00 1.00 N ATOM 782 CA ASP A 52 79.712 -11.951 11.800 1.00 1.00 C ATOM 783 C ASP A 52 78.284 -12.252 12.261 1.00 1.00 C ATOM 784 O ASP A 52 77.710 -13.265 11.912 1.00 1.00 O ATOM 785 CB ASP A 52 80.532 -11.432 12.984 1.00 1.00 C ATOM 786 CG ASP A 52 80.171 -9.970 13.255 1.00 1.00 C ATOM 787 OD1 ASP A 52 80.245 -9.181 12.328 1.00 1.00 O ATOM 788 OD2 ASP A 52 79.827 -9.665 14.385 1.00 1.00 O ATOM 0 H ASP A 52 78.914 -10.246 10.794 1.00 1.00 H new ATOM 0 HA ASP A 52 80.168 -12.862 11.413 1.00 1.00 H new ATOM 0 HB2 ASP A 52 80.334 -12.036 13.869 1.00 1.00 H new ATOM 0 HB3 ASP A 52 81.597 -11.521 12.769 1.00 1.00 H new ATOM 793 N ASP A 53 77.704 -11.382 13.042 1.00 1.00 N ATOM 794 CA ASP A 53 76.314 -11.622 13.522 1.00 1.00 C ATOM 795 C ASP A 53 75.709 -10.306 14.017 1.00 1.00 C ATOM 796 O ASP A 53 75.152 -10.236 15.095 1.00 1.00 O ATOM 797 CB ASP A 53 76.340 -12.635 14.669 1.00 1.00 C ATOM 798 CG ASP A 53 77.344 -12.180 15.730 1.00 1.00 C ATOM 799 OD1 ASP A 53 77.813 -11.058 15.631 1.00 1.00 O ATOM 800 OD2 ASP A 53 77.628 -12.962 16.623 1.00 1.00 O ATOM 0 H ASP A 53 78.133 -10.516 13.368 1.00 1.00 H new ATOM 0 HA ASP A 53 75.709 -12.013 12.704 1.00 1.00 H new ATOM 0 HB2 ASP A 53 75.347 -12.728 15.109 1.00 1.00 H new ATOM 0 HB3 ASP A 53 76.615 -13.620 14.292 1.00 1.00 H new ATOM 805 N ILE A 54 75.816 -9.263 13.236 1.00 1.00 N ATOM 806 CA ILE A 54 75.250 -7.945 13.652 1.00 1.00 C ATOM 807 C ILE A 54 74.133 -7.540 12.681 1.00 1.00 C ATOM 808 O ILE A 54 74.399 -7.067 11.593 1.00 1.00 O ATOM 809 CB ILE A 54 76.355 -6.888 13.613 1.00 1.00 C ATOM 810 CG1 ILE A 54 77.457 -7.267 14.605 1.00 1.00 C ATOM 811 CG2 ILE A 54 75.773 -5.526 13.995 1.00 1.00 C ATOM 812 CD1 ILE A 54 78.666 -6.352 14.400 1.00 1.00 C ATOM 0 H ILE A 54 76.273 -9.267 12.324 1.00 1.00 H new ATOM 0 HA ILE A 54 74.847 -8.023 14.662 1.00 1.00 H new ATOM 0 HB ILE A 54 76.772 -6.835 12.607 1.00 1.00 H new ATOM 0 HG12 ILE A 54 77.088 -7.176 15.627 1.00 1.00 H new ATOM 0 HG13 ILE A 54 77.747 -8.308 14.462 1.00 1.00 H new ATOM 0 HG21 ILE A 54 76.561 -4.773 13.967 1.00 1.00 H new ATOM 0 HG22 ILE A 54 74.987 -5.255 13.290 1.00 1.00 H new ATOM 0 HG23 ILE A 54 75.356 -5.578 15.001 1.00 1.00 H new ATOM 0 HD11 ILE A 54 79.451 -6.622 15.107 1.00 1.00 H new ATOM 0 HD12 ILE A 54 79.040 -6.465 13.382 1.00 1.00 H new ATOM 0 HD13 ILE A 54 78.370 -5.316 14.565 1.00 1.00 H new ATOM 824 N PRO A 55 72.892 -7.724 13.062 1.00 1.00 N ATOM 825 CA PRO A 55 71.731 -7.370 12.199 1.00 1.00 C ATOM 826 C PRO A 55 71.386 -5.878 12.274 1.00 1.00 C ATOM 827 O PRO A 55 70.324 -5.497 12.725 1.00 1.00 O ATOM 828 CB PRO A 55 70.598 -8.222 12.772 1.00 1.00 C ATOM 829 CG PRO A 55 70.930 -8.384 14.220 1.00 1.00 C ATOM 830 CD PRO A 55 72.456 -8.291 14.349 1.00 1.00 C ATOM 0 HA PRO A 55 71.927 -7.558 11.143 1.00 1.00 H new ATOM 0 HB2 PRO A 55 69.632 -7.734 12.641 1.00 1.00 H new ATOM 0 HB3 PRO A 55 70.538 -9.188 12.270 1.00 1.00 H new ATOM 0 HG2 PRO A 55 70.446 -7.609 14.815 1.00 1.00 H new ATOM 0 HG3 PRO A 55 70.570 -9.343 14.592 1.00 1.00 H new ATOM 0 HD2 PRO A 55 72.747 -7.654 15.184 1.00 1.00 H new ATOM 0 HD3 PRO A 55 72.902 -9.270 14.524 1.00 1.00 H new ATOM 838 N GLY A 56 72.277 -5.032 11.834 1.00 1.00 N ATOM 839 CA GLY A 56 72.002 -3.568 11.877 1.00 1.00 C ATOM 840 C GLY A 56 72.178 -3.052 13.306 1.00 1.00 C ATOM 841 O GLY A 56 71.234 -2.965 14.065 1.00 1.00 O ATOM 0 H GLY A 56 73.184 -5.292 11.446 1.00 1.00 H new ATOM 0 HA2 GLY A 56 72.679 -3.041 11.204 1.00 1.00 H new ATOM 0 HA3 GLY A 56 70.988 -3.368 11.530 1.00 1.00 H new ATOM 845 N MET A 57 73.380 -2.706 13.678 1.00 1.00 N ATOM 846 CA MET A 57 73.614 -2.192 15.057 1.00 1.00 C ATOM 847 C MET A 57 72.860 -0.874 15.239 1.00 1.00 C ATOM 848 O MET A 57 72.426 -0.538 16.324 1.00 1.00 O ATOM 849 CB MET A 57 75.112 -1.958 15.269 1.00 1.00 C ATOM 850 CG MET A 57 75.402 -1.818 16.765 1.00 1.00 C ATOM 851 SD MET A 57 77.080 -1.182 16.997 1.00 1.00 S ATOM 852 CE MET A 57 77.435 -2.040 18.551 1.00 1.00 C ATOM 0 H MET A 57 74.210 -2.757 13.087 1.00 1.00 H new ATOM 0 HA MET A 57 73.256 -2.921 15.784 1.00 1.00 H new ATOM 0 HB2 MET A 57 75.683 -2.789 14.854 1.00 1.00 H new ATOM 0 HB3 MET A 57 75.428 -1.058 14.741 1.00 1.00 H new ATOM 0 HG2 MET A 57 74.679 -1.144 17.225 1.00 1.00 H new ATOM 0 HG3 MET A 57 75.296 -2.784 17.259 1.00 1.00 H new ATOM 0 HE1 MET A 57 78.441 -1.787 18.885 1.00 1.00 H new ATOM 0 HE2 MET A 57 76.714 -1.734 19.309 1.00 1.00 H new ATOM 0 HE3 MET A 57 77.364 -3.117 18.397 1.00 1.00 H new ATOM 862 N GLU A 58 72.702 -0.125 14.183 1.00 1.00 N ATOM 863 CA GLU A 58 71.977 1.173 14.285 1.00 1.00 C ATOM 864 C GLU A 58 71.436 1.552 12.903 1.00 1.00 C ATOM 865 O GLU A 58 71.390 0.739 12.002 1.00 1.00 O ATOM 866 CB GLU A 58 72.945 2.257 14.788 1.00 1.00 C ATOM 867 CG GLU A 58 72.585 2.636 16.226 1.00 1.00 C ATOM 868 CD GLU A 58 71.220 3.325 16.247 1.00 1.00 C ATOM 869 OE1 GLU A 58 70.684 3.566 15.178 1.00 1.00 O ATOM 870 OE2 GLU A 58 70.733 3.600 17.331 1.00 1.00 O ATOM 0 H GLU A 58 73.045 -0.357 13.251 1.00 1.00 H new ATOM 0 HA GLU A 58 71.147 1.085 14.986 1.00 1.00 H new ATOM 0 HB2 GLU A 58 73.971 1.892 14.743 1.00 1.00 H new ATOM 0 HB3 GLU A 58 72.890 3.135 14.145 1.00 1.00 H new ATOM 0 HG2 GLU A 58 72.564 1.745 16.853 1.00 1.00 H new ATOM 0 HG3 GLU A 58 73.345 3.299 16.639 1.00 1.00 H new ATOM 877 N GLY A 59 71.028 2.779 12.727 1.00 1.00 N ATOM 878 CA GLY A 59 70.494 3.204 11.401 1.00 1.00 C ATOM 879 C GLY A 59 71.429 2.714 10.293 1.00 1.00 C ATOM 880 O GLY A 59 72.451 3.311 10.021 1.00 1.00 O ATOM 0 H GLY A 59 71.041 3.505 13.443 1.00 1.00 H new ATOM 0 HA2 GLY A 59 69.493 2.798 11.253 1.00 1.00 H new ATOM 0 HA3 GLY A 59 70.406 4.290 11.364 1.00 1.00 H new ATOM 884 N CYS A 60 71.087 1.628 9.652 1.00 1.00 N ATOM 885 CA CYS A 60 71.955 1.096 8.563 1.00 1.00 C ATOM 886 C CYS A 60 71.079 0.492 7.463 1.00 1.00 C ATOM 887 O CYS A 60 71.318 -0.604 6.998 1.00 1.00 O ATOM 888 CB CYS A 60 72.878 0.015 9.129 1.00 1.00 C ATOM 889 SG CYS A 60 74.132 0.784 10.184 1.00 1.00 S ATOM 0 H CYS A 60 70.243 1.086 9.836 1.00 1.00 H new ATOM 0 HA CYS A 60 72.555 1.906 8.148 1.00 1.00 H new ATOM 0 HB2 CYS A 60 72.299 -0.709 9.703 1.00 1.00 H new ATOM 0 HB3 CYS A 60 73.357 -0.532 8.316 1.00 1.00 H new ATOM 894 N GLY A 61 70.064 1.199 7.045 1.00 1.00 N ATOM 895 CA GLY A 61 69.174 0.664 5.976 1.00 1.00 C ATOM 896 C GLY A 61 68.589 -0.678 6.419 1.00 1.00 C ATOM 897 O GLY A 61 68.368 -1.564 5.618 1.00 1.00 O ATOM 0 H GLY A 61 69.813 2.123 7.397 1.00 1.00 H new ATOM 0 HA2 GLY A 61 68.371 1.372 5.769 1.00 1.00 H new ATOM 0 HA3 GLY A 61 69.735 0.540 5.050 1.00 1.00 H new ATOM 901 N THR A 62 68.336 -0.835 7.689 1.00 1.00 N ATOM 902 CA THR A 62 67.765 -2.119 8.182 1.00 1.00 C ATOM 903 C THR A 62 66.314 -2.237 7.721 1.00 1.00 C ATOM 904 O THR A 62 65.724 -3.299 7.764 1.00 1.00 O ATOM 905 CB THR A 62 67.819 -2.145 9.710 1.00 1.00 C ATOM 906 OG1 THR A 62 66.684 -1.471 10.233 1.00 1.00 O ATOM 907 CG2 THR A 62 69.094 -1.450 10.190 1.00 1.00 C ATOM 0 H THR A 62 68.500 -0.129 8.407 1.00 1.00 H new ATOM 0 HA THR A 62 68.342 -2.953 7.784 1.00 1.00 H new ATOM 0 HB THR A 62 67.820 -3.179 10.056 1.00 1.00 H new ATOM 0 HG1 THR A 62 66.716 -1.488 11.212 1.00 1.00 H new ATOM 0 HG21 THR A 62 69.131 -1.469 11.279 1.00 1.00 H new ATOM 0 HG22 THR A 62 69.964 -1.969 9.788 1.00 1.00 H new ATOM 0 HG23 THR A 62 69.097 -0.416 9.845 1.00 1.00 H new ATOM 915 N ASP A 63 65.733 -1.157 7.277 1.00 1.00 N ATOM 916 CA ASP A 63 64.321 -1.213 6.812 1.00 1.00 C ATOM 917 C ASP A 63 64.165 -2.381 5.839 1.00 1.00 C ATOM 918 O ASP A 63 63.070 -2.821 5.550 1.00 1.00 O ATOM 919 CB ASP A 63 63.964 0.095 6.104 1.00 1.00 C ATOM 920 CG ASP A 63 62.465 0.118 5.797 1.00 1.00 C ATOM 921 OD1 ASP A 63 61.723 -0.524 6.521 1.00 1.00 O ATOM 922 OD2 ASP A 63 62.086 0.777 4.843 1.00 1.00 O ATOM 0 H ASP A 63 66.175 -0.240 7.217 1.00 1.00 H new ATOM 0 HA ASP A 63 63.656 -1.352 7.665 1.00 1.00 H new ATOM 0 HB2 ASP A 63 64.230 0.945 6.732 1.00 1.00 H new ATOM 0 HB3 ASP A 63 64.536 0.189 5.181 1.00 1.00 H new ATOM 927 N ILE A 64 65.259 -2.891 5.334 1.00 1.00 N ATOM 928 CA ILE A 64 65.185 -4.039 4.381 1.00 1.00 C ATOM 929 C ILE A 64 66.276 -5.054 4.721 1.00 1.00 C ATOM 930 O ILE A 64 66.050 -6.247 4.711 1.00 1.00 O ATOM 931 CB ILE A 64 65.371 -3.538 2.946 1.00 1.00 C ATOM 932 CG1 ILE A 64 64.146 -2.721 2.530 1.00 1.00 C ATOM 933 CG2 ILE A 64 65.529 -4.733 2.004 1.00 1.00 C ATOM 934 CD1 ILE A 64 63.068 -3.659 1.983 1.00 1.00 C ATOM 0 H ILE A 64 66.202 -2.561 5.541 1.00 1.00 H new ATOM 0 HA ILE A 64 64.208 -4.515 4.466 1.00 1.00 H new ATOM 0 HB ILE A 64 66.262 -2.913 2.892 1.00 1.00 H new ATOM 0 HG12 ILE A 64 63.760 -2.165 3.384 1.00 1.00 H new ATOM 0 HG13 ILE A 64 64.424 -1.989 1.772 1.00 1.00 H new ATOM 0 HG21 ILE A 64 65.661 -4.376 0.983 1.00 1.00 H new ATOM 0 HG22 ILE A 64 66.400 -5.317 2.300 1.00 1.00 H new ATOM 0 HG23 ILE A 64 64.638 -5.359 2.057 1.00 1.00 H new ATOM 0 HD11 ILE A 64 62.195 -3.077 1.687 1.00 1.00 H new ATOM 0 HD12 ILE A 64 63.457 -4.195 1.118 1.00 1.00 H new ATOM 0 HD13 ILE A 64 62.782 -4.374 2.755 1.00 1.00 H new ATOM 946 N THR A 65 67.453 -4.590 5.030 1.00 1.00 N ATOM 947 CA THR A 65 68.561 -5.523 5.382 1.00 1.00 C ATOM 948 C THR A 65 68.940 -6.373 4.167 1.00 1.00 C ATOM 949 O THR A 65 69.946 -6.138 3.528 1.00 1.00 O ATOM 950 CB THR A 65 68.121 -6.438 6.531 1.00 1.00 C ATOM 951 OG1 THR A 65 67.359 -5.688 7.466 1.00 1.00 O ATOM 952 CG2 THR A 65 69.354 -7.019 7.224 1.00 1.00 C ATOM 0 H THR A 65 67.698 -3.600 5.054 1.00 1.00 H new ATOM 0 HA THR A 65 69.428 -4.940 5.693 1.00 1.00 H new ATOM 0 HB THR A 65 67.513 -7.251 6.135 1.00 1.00 H new ATOM 0 HG1 THR A 65 67.076 -6.272 8.200 1.00 1.00 H new ATOM 0 HG21 THR A 65 69.040 -7.669 8.041 1.00 1.00 H new ATOM 0 HG22 THR A 65 69.938 -7.595 6.506 1.00 1.00 H new ATOM 0 HG23 THR A 65 69.965 -6.208 7.621 1.00 1.00 H new ATOM 960 N VAL A 66 68.153 -7.368 3.848 1.00 1.00 N ATOM 961 CA VAL A 66 68.488 -8.233 2.679 1.00 1.00 C ATOM 962 C VAL A 66 68.908 -7.353 1.498 1.00 1.00 C ATOM 963 O VAL A 66 70.082 -7.179 1.238 1.00 1.00 O ATOM 964 CB VAL A 66 67.272 -9.093 2.292 1.00 1.00 C ATOM 965 CG1 VAL A 66 67.462 -10.515 2.822 1.00 1.00 C ATOM 966 CG2 VAL A 66 66.006 -8.488 2.903 1.00 1.00 C ATOM 0 H VAL A 66 67.297 -7.618 4.344 1.00 1.00 H new ATOM 0 HA VAL A 66 69.312 -8.895 2.945 1.00 1.00 H new ATOM 0 HB VAL A 66 67.177 -9.120 1.206 1.00 1.00 H new ATOM 0 HG11 VAL A 66 66.600 -11.124 2.548 1.00 1.00 H new ATOM 0 HG12 VAL A 66 68.364 -10.947 2.389 1.00 1.00 H new ATOM 0 HG13 VAL A 66 67.557 -10.489 3.908 1.00 1.00 H new ATOM 0 HG21 VAL A 66 65.144 -9.096 2.630 1.00 1.00 H new ATOM 0 HG22 VAL A 66 66.102 -8.462 3.988 1.00 1.00 H new ATOM 0 HG23 VAL A 66 65.869 -7.474 2.527 1.00 1.00 H new ATOM 976 N ILE A 67 67.968 -6.795 0.779 1.00 1.00 N ATOM 977 CA ILE A 67 68.343 -5.930 -0.382 1.00 1.00 C ATOM 978 C ILE A 67 67.508 -4.645 -0.387 1.00 1.00 C ATOM 979 O ILE A 67 66.457 -4.580 -0.993 1.00 1.00 O ATOM 980 CB ILE A 67 68.092 -6.695 -1.684 1.00 1.00 C ATOM 981 CG1 ILE A 67 69.039 -7.895 -1.760 1.00 1.00 C ATOM 982 CG2 ILE A 67 68.345 -5.771 -2.877 1.00 1.00 C ATOM 983 CD1 ILE A 67 68.627 -8.798 -2.924 1.00 1.00 C ATOM 0 H ILE A 67 66.966 -6.899 0.942 1.00 1.00 H new ATOM 0 HA ILE A 67 69.397 -5.667 -0.297 1.00 1.00 H new ATOM 0 HB ILE A 67 67.059 -7.043 -1.707 1.00 1.00 H new ATOM 0 HG12 ILE A 67 70.065 -7.554 -1.896 1.00 1.00 H new ATOM 0 HG13 ILE A 67 69.011 -8.454 -0.825 1.00 1.00 H new ATOM 0 HG21 ILE A 67 68.166 -6.316 -3.804 1.00 1.00 H new ATOM 0 HG22 ILE A 67 67.672 -4.915 -2.824 1.00 1.00 H new ATOM 0 HG23 ILE A 67 69.377 -5.422 -2.855 1.00 1.00 H new ATOM 0 HD11 ILE A 67 69.302 -9.653 -2.978 1.00 1.00 H new ATOM 0 HD12 ILE A 67 67.607 -9.150 -2.768 1.00 1.00 H new ATOM 0 HD13 ILE A 67 68.678 -8.236 -3.856 1.00 1.00 H new ATOM 995 N CYS A 68 67.979 -3.616 0.264 1.00 1.00 N ATOM 996 CA CYS A 68 67.225 -2.331 0.275 1.00 1.00 C ATOM 997 C CYS A 68 67.206 -1.740 -1.140 1.00 1.00 C ATOM 998 O CYS A 68 68.166 -1.851 -1.876 1.00 1.00 O ATOM 999 CB CYS A 68 67.906 -1.349 1.234 1.00 1.00 C ATOM 1000 SG CYS A 68 69.258 -0.505 0.376 1.00 1.00 S ATOM 0 H CYS A 68 68.854 -3.610 0.789 1.00 1.00 H new ATOM 0 HA CYS A 68 66.202 -2.510 0.607 1.00 1.00 H new ATOM 0 HB2 CYS A 68 67.182 -0.620 1.600 1.00 1.00 H new ATOM 0 HB3 CYS A 68 68.290 -1.881 2.104 1.00 1.00 H new ATOM 1005 N PRO A 69 66.122 -1.109 -1.524 1.00 1.00 N ATOM 1006 CA PRO A 69 65.988 -0.490 -2.873 1.00 1.00 C ATOM 1007 C PRO A 69 67.277 0.202 -3.334 1.00 1.00 C ATOM 1008 O PRO A 69 67.609 0.198 -4.503 1.00 1.00 O ATOM 1009 CB PRO A 69 64.870 0.535 -2.678 1.00 1.00 C ATOM 1010 CG PRO A 69 64.010 -0.029 -1.593 1.00 1.00 C ATOM 1011 CD PRO A 69 64.907 -0.912 -0.717 1.00 1.00 C ATOM 0 HA PRO A 69 65.779 -1.233 -3.643 1.00 1.00 H new ATOM 0 HB2 PRO A 69 65.272 1.508 -2.397 1.00 1.00 H new ATOM 0 HB3 PRO A 69 64.302 0.678 -3.597 1.00 1.00 H new ATOM 0 HG2 PRO A 69 63.562 0.770 -1.002 1.00 1.00 H new ATOM 0 HG3 PRO A 69 63.191 -0.611 -2.015 1.00 1.00 H new ATOM 0 HD2 PRO A 69 65.135 -0.429 0.233 1.00 1.00 H new ATOM 0 HD3 PRO A 69 64.425 -1.862 -0.485 1.00 1.00 H new ATOM 1019 N TRP A 70 68.001 0.801 -2.428 1.00 1.00 N ATOM 1020 CA TRP A 70 69.261 1.498 -2.819 1.00 1.00 C ATOM 1021 C TRP A 70 70.360 0.470 -3.101 1.00 1.00 C ATOM 1022 O TRP A 70 71.525 0.714 -2.857 1.00 1.00 O ATOM 1023 CB TRP A 70 69.708 2.420 -1.682 1.00 1.00 C ATOM 1024 CG TRP A 70 68.869 3.657 -1.684 1.00 1.00 C ATOM 1025 CD1 TRP A 70 68.894 4.611 -2.642 1.00 1.00 C ATOM 1026 CD2 TRP A 70 67.884 4.091 -0.700 1.00 1.00 C ATOM 1027 NE1 TRP A 70 67.988 5.603 -2.311 1.00 1.00 N ATOM 1028 CE2 TRP A 70 67.341 5.328 -1.123 1.00 1.00 C ATOM 1029 CE3 TRP A 70 67.414 3.538 0.504 1.00 1.00 C ATOM 1030 CZ2 TRP A 70 66.365 5.992 -0.375 1.00 1.00 C ATOM 1031 CZ3 TRP A 70 66.435 4.201 1.257 1.00 1.00 C ATOM 1032 CH2 TRP A 70 65.911 5.425 0.820 1.00 1.00 C ATOM 0 H TRP A 70 67.775 0.838 -1.434 1.00 1.00 H new ATOM 0 HA TRP A 70 69.080 2.086 -3.719 1.00 1.00 H new ATOM 0 HB2 TRP A 70 69.615 1.906 -0.725 1.00 1.00 H new ATOM 0 HB3 TRP A 70 70.759 2.681 -1.803 1.00 1.00 H new ATOM 0 HD1 TRP A 70 69.519 4.600 -3.522 1.00 1.00 H new ATOM 0 HE1 TRP A 70 67.819 6.435 -2.876 1.00 1.00 H new ATOM 0 HE3 TRP A 70 67.810 2.595 0.851 1.00 1.00 H new ATOM 0 HZ2 TRP A 70 65.965 6.935 -0.717 1.00 1.00 H new ATOM 0 HZ3 TRP A 70 66.082 3.766 2.180 1.00 1.00 H new ATOM 0 HH2 TRP A 70 65.157 5.930 1.406 1.00 1.00 H new ATOM 1043 N GLU A 71 70.003 -0.675 -3.617 1.00 1.00 N ATOM 1044 CA GLU A 71 71.031 -1.716 -3.919 1.00 1.00 C ATOM 1045 C GLU A 71 70.668 -2.419 -5.227 1.00 1.00 C ATOM 1046 O GLU A 71 71.478 -3.101 -5.824 1.00 1.00 O ATOM 1047 CB GLU A 71 71.071 -2.743 -2.784 1.00 1.00 C ATOM 1048 CG GLU A 71 71.748 -2.126 -1.558 1.00 1.00 C ATOM 1049 CD GLU A 71 73.240 -1.937 -1.840 1.00 1.00 C ATOM 1050 OE1 GLU A 71 73.809 -2.786 -2.505 1.00 1.00 O ATOM 1051 OE2 GLU A 71 73.787 -0.946 -1.385 1.00 1.00 O ATOM 0 H GLU A 71 69.043 -0.936 -3.843 1.00 1.00 H new ATOM 0 HA GLU A 71 72.009 -1.244 -4.014 1.00 1.00 H new ATOM 0 HB2 GLU A 71 70.059 -3.061 -2.532 1.00 1.00 H new ATOM 0 HB3 GLU A 71 71.615 -3.632 -3.103 1.00 1.00 H new ATOM 0 HG2 GLU A 71 71.288 -1.167 -1.319 1.00 1.00 H new ATOM 0 HG3 GLU A 71 71.610 -2.771 -0.690 1.00 1.00 H new ATOM 1058 N ALA A 72 69.454 -2.257 -5.679 1.00 1.00 N ATOM 1059 CA ALA A 72 69.036 -2.915 -6.949 1.00 1.00 C ATOM 1060 C ALA A 72 69.633 -2.156 -8.136 1.00 1.00 C ATOM 1061 O ALA A 72 69.340 -2.444 -9.279 1.00 1.00 O ATOM 1062 CB ALA A 72 67.510 -2.900 -7.051 1.00 1.00 C ATOM 0 H ALA A 72 68.734 -1.697 -5.223 1.00 1.00 H new ATOM 0 HA ALA A 72 69.392 -3.945 -6.960 1.00 1.00 H new ATOM 0 HB1 ALA A 72 67.203 -3.381 -7.980 1.00 1.00 H new ATOM 0 HB2 ALA A 72 67.083 -3.439 -6.205 1.00 1.00 H new ATOM 0 HB3 ALA A 72 67.155 -1.870 -7.041 1.00 1.00 H new ATOM 1068 N CYS A 73 70.469 -1.189 -7.873 1.00 1.00 N ATOM 1069 CA CYS A 73 71.084 -0.413 -8.986 1.00 1.00 C ATOM 1070 C CYS A 73 71.829 -1.368 -9.921 1.00 1.00 C ATOM 1071 O CYS A 73 72.995 -1.654 -9.733 1.00 1.00 O ATOM 1072 CB CYS A 73 72.065 0.614 -8.410 1.00 1.00 C ATOM 1073 SG CYS A 73 72.740 -0.005 -6.849 1.00 1.00 S ATOM 0 H CYS A 73 70.752 -0.903 -6.936 1.00 1.00 H new ATOM 0 HA CYS A 73 70.305 0.105 -9.545 1.00 1.00 H new ATOM 0 HB2 CYS A 73 72.872 0.800 -9.119 1.00 1.00 H new ATOM 0 HB3 CYS A 73 71.558 1.565 -8.248 1.00 1.00 H new ATOM 1078 N ASN A 74 71.163 -1.864 -10.928 1.00 1.00 N ATOM 1079 CA ASN A 74 71.829 -2.801 -11.875 1.00 1.00 C ATOM 1080 C ASN A 74 72.348 -4.018 -11.107 1.00 1.00 C ATOM 1081 O ASN A 74 71.861 -4.344 -10.042 1.00 1.00 O ATOM 1082 CB ASN A 74 72.999 -2.089 -12.561 1.00 1.00 C ATOM 1083 CG ASN A 74 73.394 -2.857 -13.823 1.00 1.00 C ATOM 1084 OD1 ASN A 74 74.228 -2.409 -14.585 1.00 1.00 O ATOM 1085 ND2 ASN A 74 72.827 -4.005 -14.079 1.00 1.00 N ATOM 0 H ASN A 74 70.185 -1.660 -11.135 1.00 1.00 H new ATOM 0 HA ASN A 74 71.112 -3.127 -12.629 1.00 1.00 H new ATOM 0 HB2 ASN A 74 72.717 -1.068 -12.817 1.00 1.00 H new ATOM 0 HB3 ASN A 74 73.848 -2.024 -11.881 1.00 1.00 H new ATOM 0 HD21 ASN A 74 73.084 -4.525 -14.918 1.00 1.00 H new ATOM 0 HD22 ASN A 74 72.127 -4.382 -13.440 1.00 1.00 H new ATOM 1092 N HIS A 75 73.333 -4.692 -11.639 1.00 1.00 N ATOM 1093 CA HIS A 75 73.891 -5.892 -10.946 1.00 1.00 C ATOM 1094 C HIS A 75 75.351 -5.627 -10.573 1.00 1.00 C ATOM 1095 O HIS A 75 75.969 -4.703 -11.063 1.00 1.00 O ATOM 1096 CB HIS A 75 73.816 -7.099 -11.884 1.00 1.00 C ATOM 1097 CG HIS A 75 74.294 -6.701 -13.254 1.00 1.00 C ATOM 1098 ND1 HIS A 75 75.116 -5.604 -13.460 1.00 1.00 N ATOM 1099 CD2 HIS A 75 74.073 -7.245 -14.496 1.00 1.00 C ATOM 1100 CE1 HIS A 75 75.359 -5.520 -14.780 1.00 1.00 C ATOM 1101 NE2 HIS A 75 74.748 -6.495 -15.455 1.00 1.00 N ATOM 0 H HIS A 75 73.778 -4.462 -12.528 1.00 1.00 H new ATOM 0 HA HIS A 75 73.315 -6.096 -10.043 1.00 1.00 H new ATOM 0 HB2 HIS A 75 74.428 -7.913 -11.496 1.00 1.00 H new ATOM 0 HB3 HIS A 75 72.792 -7.468 -11.938 1.00 1.00 H new ATOM 0 HD1 HIS A 75 75.472 -4.975 -12.741 1.00 1.00 H new ATOM 0 HD2 HIS A 75 73.470 -8.118 -14.697 1.00 1.00 H new ATOM 0 HE1 HIS A 75 75.973 -4.758 -15.237 1.00 1.00 H new ATOM 1110 N CYS A 76 75.909 -6.430 -9.708 1.00 1.00 N ATOM 1111 CA CYS A 76 77.328 -6.221 -9.305 1.00 1.00 C ATOM 1112 C CYS A 76 77.938 -7.555 -8.866 1.00 1.00 C ATOM 1113 O CYS A 76 79.037 -7.606 -8.352 1.00 1.00 O ATOM 1114 CB CYS A 76 77.388 -5.226 -8.144 1.00 1.00 C ATOM 1115 SG CYS A 76 79.081 -4.612 -7.960 1.00 1.00 S ATOM 0 HA CYS A 76 77.890 -5.826 -10.151 1.00 1.00 H new ATOM 0 HB2 CYS A 76 76.707 -4.395 -8.328 1.00 1.00 H new ATOM 0 HB3 CYS A 76 77.062 -5.707 -7.222 1.00 1.00 H new ATOM 1120 N GLU A 77 77.234 -8.635 -9.065 1.00 1.00 N ATOM 1121 CA GLU A 77 77.780 -9.960 -8.658 1.00 1.00 C ATOM 1122 C GLU A 77 79.183 -10.132 -9.244 1.00 1.00 C ATOM 1123 O GLU A 77 80.126 -10.437 -8.541 1.00 1.00 O ATOM 1124 CB GLU A 77 76.867 -11.071 -9.180 1.00 1.00 C ATOM 1125 CG GLU A 77 75.473 -10.916 -8.569 1.00 1.00 C ATOM 1126 CD GLU A 77 75.536 -11.216 -7.070 1.00 1.00 C ATOM 1127 OE1 GLU A 77 76.480 -11.869 -6.656 1.00 1.00 O ATOM 1128 OE2 GLU A 77 74.640 -10.787 -6.362 1.00 1.00 O ATOM 0 H GLU A 77 76.307 -8.658 -9.490 1.00 1.00 H new ATOM 0 HA GLU A 77 77.831 -10.015 -7.571 1.00 1.00 H new ATOM 0 HB2 GLU A 77 76.806 -11.025 -10.267 1.00 1.00 H new ATOM 0 HB3 GLU A 77 77.281 -12.046 -8.925 1.00 1.00 H new ATOM 0 HG2 GLU A 77 75.103 -9.904 -8.733 1.00 1.00 H new ATOM 0 HG3 GLU A 77 74.773 -11.594 -9.057 1.00 1.00 H new ATOM 1135 N LEU A 78 79.329 -9.937 -10.526 1.00 1.00 N ATOM 1136 CA LEU A 78 80.672 -10.085 -11.153 1.00 1.00 C ATOM 1137 C LEU A 78 81.487 -8.812 -10.910 1.00 1.00 C ATOM 1138 O LEU A 78 82.688 -8.789 -11.088 1.00 1.00 O ATOM 1139 CB LEU A 78 80.511 -10.313 -12.660 1.00 1.00 C ATOM 1140 CG LEU A 78 80.162 -11.779 -12.920 1.00 1.00 C ATOM 1141 CD1 LEU A 78 78.883 -12.142 -12.164 1.00 1.00 C ATOM 1142 CD2 LEU A 78 79.944 -11.992 -14.420 1.00 1.00 C ATOM 0 H LEU A 78 78.577 -9.682 -11.166 1.00 1.00 H new ATOM 0 HA LEU A 78 81.189 -10.938 -10.713 1.00 1.00 H new ATOM 0 HB2 LEU A 78 79.727 -9.666 -13.055 1.00 1.00 H new ATOM 0 HB3 LEU A 78 81.433 -10.050 -13.179 1.00 1.00 H new ATOM 0 HG LEU A 78 80.979 -12.413 -12.576 1.00 1.00 H new ATOM 0 HD11 LEU A 78 78.635 -13.187 -12.350 1.00 1.00 H new ATOM 0 HD12 LEU A 78 79.036 -11.990 -11.096 1.00 1.00 H new ATOM 0 HD13 LEU A 78 78.065 -11.508 -12.507 1.00 1.00 H new ATOM 0 HD21 LEU A 78 79.695 -13.037 -14.607 1.00 1.00 H new ATOM 0 HD22 LEU A 78 79.127 -11.357 -14.763 1.00 1.00 H new ATOM 0 HD23 LEU A 78 80.855 -11.734 -14.960 1.00 1.00 H new ATOM 1154 N HIS A 79 80.839 -7.753 -10.500 1.00 1.00 N ATOM 1155 CA HIS A 79 81.565 -6.476 -10.238 1.00 1.00 C ATOM 1156 C HIS A 79 82.069 -5.883 -11.557 1.00 1.00 C ATOM 1157 O HIS A 79 81.692 -4.793 -11.940 1.00 1.00 O ATOM 1158 CB HIS A 79 82.753 -6.739 -9.303 1.00 1.00 C ATOM 1159 CG HIS A 79 83.137 -5.462 -8.607 1.00 1.00 C ATOM 1160 ND1 HIS A 79 82.214 -4.464 -8.332 1.00 1.00 N ATOM 1161 CD2 HIS A 79 84.340 -5.005 -8.125 1.00 1.00 C ATOM 1162 CE1 HIS A 79 82.867 -3.466 -7.711 1.00 1.00 C ATOM 1163 NE2 HIS A 79 84.163 -3.745 -7.561 1.00 1.00 N ATOM 0 H HIS A 79 79.833 -7.718 -10.335 1.00 1.00 H new ATOM 0 HA HIS A 79 80.883 -5.769 -9.766 1.00 1.00 H new ATOM 0 HB2 HIS A 79 82.490 -7.501 -8.569 1.00 1.00 H new ATOM 0 HB3 HIS A 79 83.599 -7.124 -9.872 1.00 1.00 H new ATOM 0 HD1 HIS A 79 81.220 -4.484 -8.560 1.00 1.00 H new ATOM 0 HD2 HIS A 79 85.277 -5.540 -8.176 1.00 1.00 H new ATOM 0 HE1 HIS A 79 82.400 -2.552 -7.375 1.00 1.00 H new ATOM 1172 N GLU A 80 82.921 -6.586 -12.253 1.00 1.00 N ATOM 1173 CA GLU A 80 83.446 -6.052 -13.542 1.00 1.00 C ATOM 1174 C GLU A 80 82.279 -5.756 -14.487 1.00 1.00 C ATOM 1175 O GLU A 80 82.448 -5.149 -15.525 1.00 1.00 O ATOM 1176 CB GLU A 80 84.379 -7.083 -14.185 1.00 1.00 C ATOM 1177 CG GLU A 80 83.766 -8.479 -14.057 1.00 1.00 C ATOM 1178 CD GLU A 80 84.406 -9.415 -15.084 1.00 1.00 C ATOM 1179 OE1 GLU A 80 84.316 -9.118 -16.264 1.00 1.00 O ATOM 1180 OE2 GLU A 80 84.975 -10.412 -14.673 1.00 1.00 O ATOM 0 H GLU A 80 83.275 -7.504 -11.986 1.00 1.00 H new ATOM 0 HA GLU A 80 84.001 -5.133 -13.353 1.00 1.00 H new ATOM 0 HB2 GLU A 80 84.538 -6.839 -15.235 1.00 1.00 H new ATOM 0 HB3 GLU A 80 85.355 -7.057 -13.701 1.00 1.00 H new ATOM 0 HG2 GLU A 80 83.923 -8.865 -13.050 1.00 1.00 H new ATOM 0 HG3 GLU A 80 82.689 -8.430 -14.216 1.00 1.00 H new ATOM 1187 N LEU A 81 81.095 -6.177 -14.135 1.00 1.00 N ATOM 1188 CA LEU A 81 79.919 -5.915 -15.013 1.00 1.00 C ATOM 1189 C LEU A 81 79.342 -4.537 -14.675 1.00 1.00 C ATOM 1190 O LEU A 81 78.641 -3.935 -15.464 1.00 1.00 O ATOM 1191 CB LEU A 81 78.855 -6.997 -14.773 1.00 1.00 C ATOM 1192 CG LEU A 81 78.772 -7.916 -15.993 1.00 1.00 C ATOM 1193 CD1 LEU A 81 78.332 -7.105 -17.214 1.00 1.00 C ATOM 1194 CD2 LEU A 81 80.146 -8.532 -16.261 1.00 1.00 C ATOM 0 H LEU A 81 80.891 -6.691 -13.278 1.00 1.00 H new ATOM 0 HA LEU A 81 80.223 -5.936 -16.060 1.00 1.00 H new ATOM 0 HB2 LEU A 81 79.106 -7.577 -13.885 1.00 1.00 H new ATOM 0 HB3 LEU A 81 77.886 -6.533 -14.588 1.00 1.00 H new ATOM 0 HG LEU A 81 78.048 -8.708 -15.802 1.00 1.00 H new ATOM 0 HD11 LEU A 81 78.273 -7.760 -18.084 1.00 1.00 H new ATOM 0 HD12 LEU A 81 77.353 -6.664 -17.024 1.00 1.00 H new ATOM 0 HD13 LEU A 81 79.056 -6.313 -17.405 1.00 1.00 H new ATOM 0 HD21 LEU A 81 80.088 -9.187 -17.130 1.00 1.00 H new ATOM 0 HD22 LEU A 81 80.869 -7.739 -16.452 1.00 1.00 H new ATOM 0 HD23 LEU A 81 80.462 -9.109 -15.392 1.00 1.00 H new ATOM 1206 N ALA A 82 79.634 -4.033 -13.508 1.00 1.00 N ATOM 1207 CA ALA A 82 79.105 -2.695 -13.122 1.00 1.00 C ATOM 1208 C ALA A 82 79.366 -1.698 -14.253 1.00 1.00 C ATOM 1209 O ALA A 82 80.098 -1.978 -15.182 1.00 1.00 O ATOM 1210 CB ALA A 82 79.808 -2.220 -11.849 1.00 1.00 C ATOM 0 H ALA A 82 80.216 -4.490 -12.805 1.00 1.00 H new ATOM 0 HA ALA A 82 78.032 -2.765 -12.941 1.00 1.00 H new ATOM 0 HB1 ALA A 82 79.423 -1.241 -11.564 1.00 1.00 H new ATOM 0 HB2 ALA A 82 79.622 -2.931 -11.044 1.00 1.00 H new ATOM 0 HB3 ALA A 82 80.880 -2.149 -12.030 1.00 1.00 H new ATOM 1216 N GLN A 83 78.773 -0.537 -14.187 1.00 1.00 N ATOM 1217 CA GLN A 83 78.989 0.472 -15.264 1.00 1.00 C ATOM 1218 C GLN A 83 78.811 1.881 -14.691 1.00 1.00 C ATOM 1219 O GLN A 83 79.414 2.829 -15.154 1.00 1.00 O ATOM 1220 CB GLN A 83 77.971 0.237 -16.385 1.00 1.00 C ATOM 1221 CG GLN A 83 78.466 0.895 -17.674 1.00 1.00 C ATOM 1222 CD GLN A 83 77.548 0.504 -18.833 1.00 1.00 C ATOM 1223 OE1 GLN A 83 76.453 1.015 -18.956 1.00 1.00 O ATOM 1224 NE2 GLN A 83 77.951 -0.390 -19.695 1.00 1.00 N ATOM 0 H GLN A 83 78.149 -0.243 -13.435 1.00 1.00 H new ATOM 0 HA GLN A 83 79.999 0.374 -15.662 1.00 1.00 H new ATOM 0 HB2 GLN A 83 77.828 -0.832 -16.542 1.00 1.00 H new ATOM 0 HB3 GLN A 83 77.002 0.650 -16.103 1.00 1.00 H new ATOM 0 HG2 GLN A 83 78.482 1.979 -17.559 1.00 1.00 H new ATOM 0 HG3 GLN A 83 79.489 0.582 -17.885 1.00 1.00 H new ATOM 0 HE21 GLN A 83 78.870 -0.819 -19.592 1.00 1.00 H new ATOM 0 HE22 GLN A 83 77.346 -0.659 -20.471 1.00 1.00 H new ATOM 1233 N TYR A 84 77.991 2.027 -13.686 1.00 1.00 N ATOM 1234 CA TYR A 84 77.779 3.375 -13.085 1.00 1.00 C ATOM 1235 C TYR A 84 79.138 4.033 -12.828 1.00 1.00 C ATOM 1236 O TYR A 84 79.260 5.242 -12.815 1.00 1.00 O ATOM 1237 CB TYR A 84 77.013 3.228 -11.764 1.00 1.00 C ATOM 1238 CG TYR A 84 75.533 3.377 -12.021 1.00 1.00 C ATOM 1239 CD1 TYR A 84 74.846 2.398 -12.749 1.00 1.00 C ATOM 1240 CD2 TYR A 84 74.846 4.495 -11.532 1.00 1.00 C ATOM 1241 CE1 TYR A 84 73.474 2.536 -12.987 1.00 1.00 C ATOM 1242 CE2 TYR A 84 73.474 4.633 -11.770 1.00 1.00 C ATOM 1243 CZ TYR A 84 72.787 3.654 -12.498 1.00 1.00 C ATOM 1244 OH TYR A 84 71.434 3.790 -12.733 1.00 1.00 O ATOM 0 H TYR A 84 77.459 1.271 -13.255 1.00 1.00 H new ATOM 0 HA TYR A 84 77.201 3.997 -13.768 1.00 1.00 H new ATOM 0 HB2 TYR A 84 77.219 2.255 -11.318 1.00 1.00 H new ATOM 0 HB3 TYR A 84 77.347 3.982 -11.052 1.00 1.00 H new ATOM 0 HD1 TYR A 84 75.375 1.536 -13.127 1.00 1.00 H new ATOM 0 HD2 TYR A 84 75.375 5.251 -10.971 1.00 1.00 H new ATOM 0 HE1 TYR A 84 72.945 1.780 -13.548 1.00 1.00 H new ATOM 0 HE2 TYR A 84 72.945 5.495 -11.392 1.00 1.00 H new ATOM 0 HH TYR A 84 71.113 4.621 -12.324 1.00 1.00 H new ATOM 1254 N GLY A 85 80.163 3.248 -12.626 1.00 1.00 N ATOM 1255 CA GLY A 85 81.512 3.833 -12.375 1.00 1.00 C ATOM 1256 C GLY A 85 82.349 2.865 -11.538 1.00 1.00 C ATOM 1257 O GLY A 85 83.083 3.270 -10.661 1.00 1.00 O ATOM 0 H GLY A 85 80.124 2.229 -12.624 1.00 1.00 H new ATOM 0 HA2 GLY A 85 82.012 4.036 -13.322 1.00 1.00 H new ATOM 0 HA3 GLY A 85 81.414 4.786 -11.856 1.00 1.00 H new ATOM 1261 N ILE A 86 82.244 1.589 -11.806 1.00 1.00 N ATOM 1262 CA ILE A 86 83.033 0.586 -11.029 1.00 1.00 C ATOM 1263 C ILE A 86 82.706 0.715 -9.539 1.00 1.00 C ATOM 1264 O ILE A 86 82.019 -0.111 -8.974 1.00 1.00 O ATOM 1265 CB ILE A 86 84.534 0.818 -11.247 1.00 1.00 C ATOM 1266 CG1 ILE A 86 84.837 0.812 -12.747 1.00 1.00 C ATOM 1267 CG2 ILE A 86 85.328 -0.297 -10.564 1.00 1.00 C ATOM 1268 CD1 ILE A 86 84.987 -0.631 -13.233 1.00 1.00 C ATOM 0 H ILE A 86 81.644 1.197 -12.532 1.00 1.00 H new ATOM 0 HA ILE A 86 82.772 -0.415 -11.372 1.00 1.00 H new ATOM 0 HB ILE A 86 84.818 1.780 -10.821 1.00 1.00 H new ATOM 0 HG12 ILE A 86 84.035 1.309 -13.293 1.00 1.00 H new ATOM 0 HG13 ILE A 86 85.752 1.371 -12.946 1.00 1.00 H new ATOM 0 HG21 ILE A 86 86.394 -0.132 -10.719 1.00 1.00 H new ATOM 0 HG22 ILE A 86 85.112 -0.295 -9.496 1.00 1.00 H new ATOM 0 HG23 ILE A 86 85.044 -1.259 -10.990 1.00 1.00 H new ATOM 0 HD11 ILE A 86 85.203 -0.635 -14.301 1.00 1.00 H new ATOM 0 HD12 ILE A 86 85.804 -1.113 -12.696 1.00 1.00 H new ATOM 0 HD13 ILE A 86 84.061 -1.175 -13.048 1.00 1.00 H new ATOM 1280 N CYS A 87 83.189 1.743 -8.898 1.00 1.00 N ATOM 1281 CA CYS A 87 82.901 1.918 -7.447 1.00 1.00 C ATOM 1282 C CYS A 87 81.387 1.892 -7.222 1.00 1.00 C ATOM 1283 CB CYS A 87 83.464 3.260 -6.972 1.00 1.00 C ATOM 1284 SG CYS A 87 82.814 3.638 -5.326 1.00 1.00 S ATOM 0 H CYS A 87 83.771 2.469 -9.316 1.00 1.00 H new ATOM 0 HA CYS A 87 83.367 1.109 -6.884 1.00 1.00 H new ATOM 0 HB2 CYS A 87 84.553 3.220 -6.944 1.00 1.00 H new ATOM 0 HB3 CYS A 87 83.191 4.049 -7.672 1.00 1.00 H new TER 1289 CYS A 87 HETATM 1290 C1C RCY A 110 54.416 -0.435 3.063 1.00 1.00 C HETATM 1291 O1G RCY A 110 54.774 1.794 2.694 1.00 1.00 O HETATM 1292 O1H RCY A 110 53.626 0.946 -1.808 1.00 1.00 O HETATM 1293 O1J RCY A 110 51.848 -1.654 2.071 1.00 1.00 O HETATM 1294 C1L RCY A 110 53.704 3.144 0.955 1.00 1.00 C HETATM 1295 C1M RCY A 110 54.698 -1.444 -0.486 1.00 1.00 C HETATM 1296 C1P RCY A 110 54.392 1.898 1.529 1.00 1.00 C HETATM 1297 C1Q RCY A 110 54.019 1.493 -0.779 1.00 1.00 C HETATM 1298 N1R RCY A 110 54.542 0.803 0.474 1.00 1.00 N HETATM 1299 C1S RCY A 110 54.074 2.989 -0.524 1.00 1.00 C HETATM 1300 C1U RCY A 110 55.079 -0.622 0.627 1.00 1.00 C HETATM 1301 C1V RCY A 110 55.253 -2.643 2.142 1.00 1.00 C HETATM 1302 N1V RCY A 110 53.100 -1.661 1.321 1.00 1.00 N HETATM 1303 C1W RCY A 110 53.300 -1.985 -0.159 1.00 1.00 C HETATM 1304 C1X RCY A 110 54.497 -1.348 1.838 1.00 1.00 C HETATM 1305 C1Y RCY A 110 53.241 -3.497 -0.389 1.00 1.00 C HETATM 1306 C1Z RCY A 110 52.224 -1.272 -0.977 1.00 1.00 C HETATM 0 H1ZB RCY A 110 52.244 -0.205 -0.753 1.00 1.00 H new HETATM 0 H1ZA RCY A 110 52.415 -1.424 -2.039 1.00 1.00 H new HETATM 0 H1YB RCY A 110 53.469 -3.716 -1.432 1.00 1.00 H new HETATM 0 H1YA RCY A 110 53.970 -3.991 0.253 1.00 1.00 H new HETATM 0 H1MA RCY A 110 54.686 -0.866 -1.410 1.00 1.00 H new HETATM 0 H1LA RCY A 110 52.626 3.139 1.119 1.00 1.00 H new HETATM 0 H1CB RCY A 110 55.415 -0.084 3.322 1.00 1.00 H new HETATM 0 H1CA RCY A 110 53.778 0.420 2.838 1.00 1.00 H new HETATM 0 H1Z RCY A 110 51.245 -1.678 -0.723 1.00 1.00 H new HETATM 0 H1Y RCY A 110 52.242 -3.862 -0.152 1.00 1.00 H new HETATM 0 H1V RCY A 110 55.288 -3.263 1.246 1.00 1.00 H new HETATM 0 H1U RCY A 110 56.158 -0.495 0.716 1.00 1.00 H new HETATM 0 H1S RCY A 110 55.067 3.390 -0.728 1.00 1.00 H new HETATM 0 H1M RCY A 110 55.407 -2.259 -0.629 1.00 1.00 H new HETATM 0 H1L RCY A 110 54.087 4.069 1.387 1.00 1.00 H new HETATM 0 H1C RCY A 110 53.997 -0.989 3.903 1.00 1.00 H new HETATM 1309 C1C RCY A 121 67.091 12.158 -2.706 1.00 1.00 C HETATM 1310 O1G RCY A 121 65.804 15.292 -0.833 1.00 1.00 O HETATM 1311 O1H RCY A 121 69.795 12.949 0.103 1.00 1.00 O HETATM 1312 O1J RCY A 121 69.483 10.556 -1.823 1.00 1.00 O HETATM 1313 C1L RCY A 121 68.134 15.991 -0.572 1.00 1.00 C HETATM 1314 C1M RCY A 121 66.976 11.475 0.929 1.00 1.00 C HETATM 1315 C1P RCY A 121 66.970 14.992 -0.580 1.00 1.00 C HETATM 1316 C1Q RCY A 121 68.910 13.802 0.090 1.00 1.00 C HETATM 1317 N1R RCY A 121 67.438 13.580 -0.235 1.00 1.00 N HETATM 1318 C1S RCY A 121 69.084 15.278 0.397 1.00 1.00 C HETATM 1319 C1U RCY A 121 66.643 12.272 -0.217 1.00 1.00 C HETATM 1320 C1V RCY A 121 65.965 10.215 -1.528 1.00 1.00 C HETATM 1321 N1V RCY A 121 68.328 10.836 -0.975 1.00 1.00 N HETATM 1322 C1W RCY A 121 68.216 10.662 0.538 1.00 1.00 C HETATM 1323 C1X RCY A 121 66.966 11.366 -1.403 1.00 1.00 C HETATM 1324 C1Y RCY A 121 68.026 9.185 0.895 1.00 1.00 C HETATM 1325 C1Z RCY A 121 69.476 11.219 1.200 1.00 1.00 C HETATM 0 H1ZB RCY A 121 69.626 12.252 0.886 1.00 1.00 H new HETATM 0 H1ZA RCY A 121 69.365 11.182 2.284 1.00 1.00 H new HETATM 0 H1YB RCY A 121 67.864 9.088 1.969 1.00 1.00 H new HETATM 0 H1YA RCY A 121 67.162 8.790 0.361 1.00 1.00 H new HETATM 0 H1VB RCY A 121 64.982 10.613 -1.780 1.00 1.00 H new HETATM 0 H1VA RCY A 121 66.292 9.532 -2.312 1.00 1.00 H new HETATM 0 H1MA RCY A 121 67.180 12.105 1.795 1.00 1.00 H new HETATM 0 H1LA RCY A 121 68.572 16.129 -1.560 1.00 1.00 H new HETATM 0 H1CB RCY A 121 66.151 12.669 -2.913 1.00 1.00 H new HETATM 0 H1CA RCY A 121 67.890 12.893 -2.610 1.00 1.00 H new HETATM 0 H1Z RCY A 121 70.338 10.621 0.903 1.00 1.00 H new HETATM 0 H1Y RCY A 121 68.916 8.624 0.610 1.00 1.00 H new HETATM 0 H1V RCY A 121 65.907 9.679 -0.581 1.00 1.00 H new HETATM 0 H1U RCY A 121 65.601 12.590 -0.228 1.00 1.00 H new HETATM 0 H1S RCY A 121 68.832 15.499 1.434 1.00 1.00 H new HETATM 0 H1M RCY A 121 66.149 10.818 1.200 1.00 1.00 H new HETATM 0 H1L RCY A 121 67.836 16.977 -0.215 1.00 1.00 H new HETATM 0 H1C RCY A 121 67.321 11.477 -3.525 1.00 1.00 H new HETATM 1328 C1C RCY A 130 82.692 12.799 3.167 1.00 1.00 C HETATM 1329 O1G RCY A 130 80.317 15.075 7.123 1.00 1.00 O HETATM 1330 O1H RCY A 130 81.922 11.350 4.705 1.00 1.00 O HETATM 1331 O1J RCY A 130 80.302 11.285 2.133 1.00 1.00 O HETATM 1332 C1L RCY A 130 80.991 12.816 7.780 1.00 1.00 C HETATM 1333 C1M RCY A 130 79.564 14.696 3.724 1.00 1.00 C HETATM 1334 C1P RCY A 130 80.709 13.956 6.794 1.00 1.00 C HETATM 1335 C1Q RCY A 130 81.318 12.055 5.511 1.00 1.00 C HETATM 1336 N1R RCY A 130 80.975 13.531 5.351 1.00 1.00 N HETATM 1337 C1S RCY A 130 80.773 11.612 6.857 1.00 1.00 C HETATM 1338 C1U RCY A 130 80.916 14.363 4.068 1.00 1.00 C HETATM 1339 C1V RCY A 130 81.640 14.534 1.647 1.00 1.00 C HETATM 1340 N1V RCY A 130 80.258 12.671 2.591 1.00 1.00 N HETATM 1341 C1W RCY A 130 79.022 13.505 2.922 1.00 1.00 C HETATM 1342 C1X RCY A 130 81.432 13.605 2.846 1.00 1.00 C HETATM 1343 C1Y RCY A 130 78.341 13.987 1.638 1.00 1.00 C HETATM 1344 C1Z RCY A 130 78.059 12.664 3.759 1.00 1.00 C HETATM 0 H1ZB RCY A 130 78.579 12.282 4.638 1.00 1.00 H new HETATM 0 H1ZA RCY A 130 77.218 13.281 4.075 1.00 1.00 H new HETATM 0 H1YB RCY A 130 77.513 14.648 1.892 1.00 1.00 H new HETATM 0 H1YA RCY A 130 79.062 14.527 1.025 1.00 1.00 H new HETATM 0 H1VB RCY A 130 82.447 15.234 1.865 1.00 1.00 H new HETATM 0 H1VA RCY A 130 81.900 13.942 0.769 1.00 1.00 H new HETATM 0 H1MA RCY A 130 78.965 14.868 4.619 1.00 1.00 H new HETATM 0 H1CB RCY A 130 83.478 13.473 3.508 1.00 1.00 H new HETATM 0 H1CA RCY A 130 82.470 12.074 3.950 1.00 1.00 H new HETATM 0 H1Z RCY A 130 77.693 11.828 3.162 1.00 1.00 H new HETATM 0 H1Y RCY A 130 77.963 13.129 1.082 1.00 1.00 H new HETATM 0 H1V RCY A 130 80.722 15.088 1.452 1.00 1.00 H new HETATM 0 H1S RCY A 130 79.717 11.350 6.790 1.00 1.00 H new HETATM 0 H1M RCY A 130 79.526 15.612 3.134 1.00 1.00 H new HETATM 0 H1C RCY A 130 83.027 12.275 2.272 1.00 1.00 H new HETATM 1347 C1C RCY A 138 81.371 -2.736 2.852 1.00 1.00 C HETATM 1348 O1G RCY A 138 82.904 -3.994 3.085 1.00 1.00 O HETATM 1349 O1H RCY A 138 85.236 -2.546 -0.758 1.00 1.00 O HETATM 1350 O1J RCY A 138 82.854 -0.316 3.857 1.00 1.00 O HETATM 1351 C1L RCY A 138 85.097 -4.546 2.149 1.00 1.00 C HETATM 1352 C1M RCY A 138 82.820 -0.798 0.053 1.00 1.00 C HETATM 1353 C1P RCY A 138 83.729 -3.852 2.184 1.00 1.00 C HETATM 1354 C1Q RCY A 138 84.771 -3.247 0.140 1.00 1.00 C HETATM 1355 N1R RCY A 138 83.518 -2.964 0.959 1.00 1.00 N HETATM 1356 C1S RCY A 138 85.345 -4.562 0.637 1.00 1.00 C HETATM 1357 C1U RCY A 138 82.354 -2.027 0.630 1.00 1.00 C HETATM 1358 C1V RCY A 138 80.265 -0.896 1.505 1.00 1.00 C HETATM 1359 N1V RCY A 138 82.561 -0.570 2.450 1.00 1.00 N HETATM 1360 C1W RCY A 138 83.167 0.122 1.230 1.00 1.00 C HETATM 1361 C1X RCY A 138 81.582 -1.582 1.871 1.00 1.00 C HETATM 1362 C1Y RCY A 138 82.543 1.506 1.034 1.00 1.00 C HETATM 1363 C1Z RCY A 138 84.680 0.235 1.419 1.00 1.00 C HETATM 0 H1ZB RCY A 138 85.097 -0.753 1.616 1.00 1.00 H new HETATM 0 H1ZA RCY A 138 85.130 0.645 0.515 1.00 1.00 H new HETATM 0 H1YB RCY A 138 82.924 1.950 0.115 1.00 1.00 H new HETATM 0 H1VB RCY A 138 79.595 -1.619 1.041 1.00 1.00 H new HETATM 0 H1VA RCY A 138 79.800 -0.496 2.406 1.00 1.00 H new HETATM 0 H1LA RCY A 138 85.861 -3.989 2.691 1.00 1.00 H new HETATM 0 H1CB RCY A 138 80.806 -3.530 2.364 1.00 1.00 H new HETATM 0 H1CA RCY A 138 82.338 -3.123 3.172 1.00 1.00 H new HETATM 0 H1Z RCY A 138 84.893 0.894 2.261 1.00 1.00 H new HETATM 0 H1S RCY A 138 84.854 -5.413 0.164 1.00 1.00 H new HETATM 0 H1L RCY A 138 85.068 -5.548 2.578 1.00 1.00 H new HETATM 0 H1C RCY A 138 80.818 -2.379 3.721 1.00 1.00 H new HETATM 1366 C1C RCY A 150 78.267 -3.508 8.801 1.00 1.00 C HETATM 1367 O1G RCY A 150 75.471 -5.074 5.157 1.00 1.00 O HETATM 1368 O1H RCY A 150 77.942 -7.140 8.610 1.00 1.00 O HETATM 1369 O1J RCY A 150 79.792 -1.376 7.318 1.00 1.00 O HETATM 1370 C1L RCY A 150 75.044 -7.005 6.598 1.00 1.00 C HETATM 1371 C1M RCY A 150 78.431 -4.255 5.181 1.00 1.00 C HETATM 1372 C1P RCY A 150 75.863 -5.833 6.042 1.00 1.00 C HETATM 1373 C1Q RCY A 150 77.228 -6.953 7.627 1.00 1.00 C HETATM 1374 N1R RCY A 150 77.226 -5.727 6.723 1.00 1.00 N HETATM 1375 C1S RCY A 150 76.180 -7.910 7.087 1.00 1.00 C HETATM 1376 C1U RCY A 150 78.316 -4.666 6.550 1.00 1.00 C HETATM 1377 C1V RCY A 150 76.590 -2.871 7.009 1.00 1.00 C HETATM 1378 N1V RCY A 150 79.034 -2.442 6.668 1.00 1.00 N HETATM 1379 C1W RCY A 150 79.096 -2.873 5.204 1.00 1.00 C HETATM 1380 C1X RCY A 150 78.007 -3.371 7.300 1.00 1.00 C HETATM 1381 C1Y RCY A 150 78.323 -1.888 4.323 1.00 1.00 C HETATM 1382 C1Z RCY A 150 80.559 -2.953 4.767 1.00 1.00 C HETATM 0 H1ZB RCY A 150 81.105 -3.611 5.443 1.00 1.00 H new HETATM 0 H1ZA RCY A 150 80.615 -3.347 3.752 1.00 1.00 H new HETATM 0 H1YB RCY A 150 78.306 -2.254 3.296 1.00 1.00 H new HETATM 0 H1VB RCY A 150 75.865 -3.575 7.418 1.00 1.00 H new HETATM 0 H1VA RCY A 150 76.447 -1.894 7.470 1.00 1.00 H new HETATM 0 H1MA RCY A 150 79.029 -4.965 4.610 1.00 1.00 H new HETATM 0 H1LA RCY A 150 74.376 -6.702 7.404 1.00 1.00 H new HETATM 0 H1CB RCY A 150 77.637 -4.298 9.209 1.00 1.00 H new HETATM 0 H1CA RCY A 150 79.315 -3.758 8.967 1.00 1.00 H new HETATM 0 H1Z RCY A 150 81.002 -1.957 4.794 1.00 1.00 H new HETATM 0 H1Y RCY A 150 78.810 -0.914 4.353 1.00 1.00 H new HETATM 0 H1V RCY A 150 76.448 -2.788 5.932 1.00 1.00 H new HETATM 0 H1U RCY A 150 79.219 -5.144 6.930 1.00 1.00 H new HETATM 0 H1S RCY A 150 76.579 -8.518 6.275 1.00 1.00 H new HETATM 0 H1M RCY A 150 77.452 -4.208 4.705 1.00 1.00 H new HETATM 0 H1L RCY A 150 74.428 -7.483 5.836 1.00 1.00 H new HETATM 0 H1C RCY A 150 78.035 -2.566 9.298 1.00 1.00 H new HETATM 1385 C1C RCY A 160 77.528 3.717 5.404 1.00 1.00 C HETATM 1386 O1G RCY A 160 77.973 2.506 7.237 1.00 1.00 O HETATM 1387 O1H RCY A 160 73.574 0.789 7.234 1.00 1.00 O HETATM 1388 O1J RCY A 160 79.263 1.309 4.895 1.00 1.00 O HETATM 1389 C1L RCY A 160 76.514 1.635 8.998 1.00 1.00 C HETATM 1390 C1M RCY A 160 75.495 0.791 4.408 1.00 1.00 C HETATM 1391 C1P RCY A 160 76.877 2.057 7.568 1.00 1.00 C HETATM 1392 C1Q RCY A 160 74.600 1.393 7.546 1.00 1.00 C HETATM 1393 N1R RCY A 160 75.709 1.848 6.606 1.00 1.00 N HETATM 1394 C1S RCY A 160 74.994 1.823 8.948 1.00 1.00 C HETATM 1395 C1U RCY A 160 75.655 2.043 5.090 1.00 1.00 C HETATM 1396 C1V RCY A 160 76.785 3.069 3.069 1.00 1.00 C HETATM 1397 N1V RCY A 160 77.839 1.373 4.580 1.00 1.00 N HETATM 1398 C1W RCY A 160 76.905 0.213 4.238 1.00 1.00 C HETATM 1399 C1X RCY A 160 76.954 2.610 4.519 1.00 1.00 C HETATM 1400 C1Y RCY A 160 77.128 -0.246 2.794 1.00 1.00 C HETATM 1401 C1Z RCY A 160 77.156 -0.937 5.213 1.00 1.00 C HETATM 0 H1ZB RCY A 160 77.051 -0.576 6.236 1.00 1.00 H new HETATM 0 H1ZA RCY A 160 76.432 -1.732 5.032 1.00 1.00 H new HETATM 0 H1YB RCY A 160 76.398 -1.015 2.540 1.00 1.00 H new HETATM 0 H1YA RCY A 160 77.011 0.603 2.120 1.00 1.00 H new HETATM 0 H1VB RCY A 160 76.106 3.921 3.034 1.00 1.00 H new HETATM 0 H1VA RCY A 160 77.754 3.361 2.665 1.00 1.00 H new HETATM 0 H1MA RCY A 160 74.863 0.113 4.982 1.00 1.00 H new HETATM 0 H1LA RCY A 160 76.801 0.606 9.215 1.00 1.00 H new HETATM 0 H1CB RCY A 160 76.806 4.530 5.484 1.00 1.00 H new HETATM 0 H1CA RCY A 160 77.736 3.318 6.397 1.00 1.00 H new HETATM 0 H1Y RCY A 160 78.134 -0.653 2.693 1.00 1.00 H new HETATM 0 H1V RCY A 160 76.375 2.253 2.474 1.00 1.00 H new HETATM 0 H1U RCY A 160 74.818 2.724 4.936 1.00 1.00 H new HETATM 0 H1S RCY A 160 74.717 2.860 9.137 1.00 1.00 H new HETATM 0 H1M RCY A 160 75.013 0.933 3.441 1.00 1.00 H new HETATM 0 H1L RCY A 160 76.988 2.264 9.752 1.00 1.00 H new HETATM 0 H1C RCY A 160 78.451 4.093 4.963 1.00 1.00 H new HETATM 1404 C1C RCY A 168 73.340 -1.259 -4.066 1.00 1.00 C HETATM 1405 O1G RCY A 168 70.366 -3.167 -3.878 1.00 1.00 O HETATM 1406 O1H RCY A 168 72.150 -1.241 0.048 1.00 1.00 O HETATM 1407 O1J RCY A 168 74.699 0.178 -1.796 1.00 1.00 O HETATM 1408 C1L RCY A 168 69.404 -1.781 -2.105 1.00 1.00 C HETATM 1409 C1M RCY A 168 73.909 -3.527 -1.198 1.00 1.00 C HETATM 1410 C1P RCY A 168 70.510 -2.580 -2.806 1.00 1.00 C HETATM 1411 C1Q RCY A 168 71.401 -1.804 -0.748 1.00 1.00 C HETATM 1412 N1R RCY A 168 71.813 -2.555 -2.008 1.00 1.00 N HETATM 1413 C1S RCY A 168 69.888 -1.880 -0.655 1.00 1.00 C HETATM 1414 C1U RCY A 168 73.182 -3.133 -2.371 1.00 1.00 C HETATM 1415 C1V RCY A 168 75.332 -2.773 -3.659 1.00 1.00 C HETATM 1416 N1V RCY A 168 74.492 -1.267 -1.843 1.00 1.00 N HETATM 1417 C1W RCY A 168 74.625 -2.267 -0.696 1.00 1.00 C HETATM 1418 C1X RCY A 168 74.096 -2.112 -3.046 1.00 1.00 C HETATM 1419 C1Y RCY A 168 76.100 -2.563 -0.411 1.00 1.00 C HETATM 1420 C1Z RCY A 168 73.940 -1.697 0.547 1.00 1.00 C HETATM 0 H1ZB RCY A 168 72.909 -1.437 0.307 1.00 1.00 H new HETATM 0 H1ZA RCY A 168 73.951 -2.442 1.342 1.00 1.00 H new HETATM 0 H1YB RCY A 168 76.175 -3.339 0.351 1.00 1.00 H new HETATM 0 H1YA RCY A 168 76.586 -2.904 -1.325 1.00 1.00 H new HETATM 0 H1VB RCY A 168 75.029 -3.417 -4.484 1.00 1.00 H new HETATM 0 H1VA RCY A 168 76.010 -2.004 -4.030 1.00 1.00 H new HETATM 0 H1MA RCY A 168 73.236 -3.922 -0.437 1.00 1.00 H new HETATM 0 H1LA RCY A 168 69.347 -0.751 -2.456 1.00 1.00 H new HETATM 0 H1CA RCY A 168 72.536 -0.719 -3.565 1.00 1.00 H new HETATM 0 H1Z RCY A 168 74.471 -0.805 0.878 1.00 1.00 H new HETATM 0 H1Y RCY A 168 76.591 -1.657 -0.056 1.00 1.00 H new HETATM 0 H1V RCY A 168 75.840 -3.369 -2.901 1.00 1.00 H new HETATM 0 H1U RCY A 168 72.955 -3.968 -3.034 1.00 1.00 H new HETATM 0 H1S RCY A 168 69.566 -2.813 -0.193 1.00 1.00 H new HETATM 0 H1M RCY A 168 74.625 -4.315 -1.430 1.00 1.00 H new HETATM 0 H1C RCY A 168 74.026 -0.546 -4.523 1.00 1.00 H new HETATM 1423 C1C RCY A 173 75.552 -5.804 -8.199 1.00 1.00 C HETATM 1424 O1G RCY A 173 75.678 -3.762 -8.761 1.00 1.00 O HETATM 1425 O1H RCY A 173 73.256 -2.297 -4.981 1.00 1.00 O HETATM 1426 O1J RCY A 173 78.253 -4.801 -7.321 1.00 1.00 O HETATM 1427 C1L RCY A 173 74.476 -1.696 -8.239 1.00 1.00 C HETATM 1428 C1M RCY A 173 75.493 -4.728 -4.659 1.00 1.00 C HETATM 1429 C1P RCY A 173 74.980 -3.120 -7.977 1.00 1.00 C HETATM 1430 C1Q RCY A 173 73.608 -2.513 -6.139 1.00 1.00 C HETATM 1431 N1R RCY A 173 74.508 -3.643 -6.621 1.00 1.00 N HETATM 1432 C1S RCY A 173 73.221 -1.696 -7.359 1.00 1.00 C HETATM 1433 C1U RCY A 173 74.846 -4.960 -5.919 1.00 1.00 C HETATM 1434 C1V RCY A 173 75.952 -7.227 -6.140 1.00 1.00 C HETATM 1435 N1V RCY A 173 77.133 -5.036 -6.414 1.00 1.00 N HETATM 1436 C1W RCY A 173 76.986 -4.564 -4.969 1.00 1.00 C HETATM 1437 C1X RCY A 173 75.851 -5.807 -6.699 1.00 1.00 C HETATM 1438 C1Y RCY A 173 77.830 -5.434 -4.033 1.00 1.00 C HETATM 1439 C1Z RCY A 173 77.415 -3.099 -4.875 1.00 1.00 C HETATM 0 H1ZB RCY A 173 76.845 -2.506 -5.591 1.00 1.00 H new HETATM 0 H1ZA RCY A 173 77.228 -2.729 -3.867 1.00 1.00 H new HETATM 0 H1YB RCY A 173 77.650 -5.138 -3.000 1.00 1.00 H new HETATM 0 H1YA RCY A 173 77.556 -6.481 -4.163 1.00 1.00 H new HETATM 0 H1VB RCY A 173 75.009 -7.749 -6.301 1.00 1.00 H new HETATM 0 H1VA RCY A 173 76.754 -7.762 -6.648 1.00 1.00 H new HETATM 0 H1MA RCY A 173 75.095 -3.836 -4.176 1.00 1.00 H new HETATM 0 H1LA RCY A 173 75.197 -0.936 -7.938 1.00 1.00 H new HETATM 0 H1CB RCY A 173 74.555 -6.210 -8.372 1.00 1.00 H new HETATM 0 H1CA RCY A 173 75.599 -4.783 -8.577 1.00 1.00 H new HETATM 0 H1Z RCY A 173 78.478 -3.016 -5.100 1.00 1.00 H new HETATM 0 H1V RCY A 173 76.165 -7.183 -5.072 1.00 1.00 H new HETATM 0 H1U RCY A 173 73.886 -5.466 -5.820 1.00 1.00 H new HETATM 0 H1S RCY A 173 72.372 -2.139 -7.880 1.00 1.00 H new HETATM 0 H1M RCY A 173 75.326 -5.561 -3.976 1.00 1.00 H new HETATM 0 H1L RCY A 173 74.249 -1.521 -9.290 1.00 1.00 H new HETATM 1442 C1C RCY A 176 82.381 -2.497 -4.646 1.00 1.00 C HETATM 1443 O1G RCY A 176 78.934 -5.990 -3.012 1.00 1.00 O HETATM 1444 O1H RCY A 176 81.556 -3.976 -6.385 1.00 1.00 O HETATM 1445 O1J RCY A 176 80.461 -1.017 -2.860 1.00 1.00 O HETATM 1446 C1L RCY A 176 78.609 -5.663 -5.416 1.00 1.00 C HETATM 1447 C1M RCY A 176 81.234 -4.635 -1.853 1.00 1.00 C HETATM 1448 C1P RCY A 176 79.345 -5.529 -4.076 1.00 1.00 C HETATM 1449 C1Q RCY A 176 80.603 -4.331 -5.692 1.00 1.00 C HETATM 1450 N1R RCY A 176 80.651 -4.751 -4.228 1.00 1.00 N HETATM 1451 C1S RCY A 176 79.157 -4.430 -6.141 1.00 1.00 C HETATM 1452 C1U RCY A 176 81.734 -4.462 -3.186 1.00 1.00 C HETATM 1453 C1V RCY A 176 83.481 -2.814 -2.384 1.00 1.00 C HETATM 1454 N1V RCY A 176 81.030 -2.324 -2.544 1.00 1.00 N HETATM 1455 C1W RCY A 176 80.573 -3.306 -1.467 1.00 1.00 C HETATM 1456 C1X RCY A 176 82.211 -3.011 -3.215 1.00 1.00 C HETATM 1457 C1Y RCY A 176 81.051 -2.847 -0.087 1.00 1.00 C HETATM 1458 C1Z RCY A 176 79.049 -3.413 -1.502 1.00 1.00 C HETATM 0 H1ZB RCY A 176 78.726 -3.681 -2.508 1.00 1.00 H new HETATM 0 H1ZA RCY A 176 78.722 -4.180 -0.799 1.00 1.00 H new HETATM 0 H1YB RCY A 176 80.791 -3.600 0.657 1.00 1.00 H new HETATM 0 H1VB RCY A 176 84.306 -3.357 -2.846 1.00 1.00 H new HETATM 0 H1VA RCY A 176 83.725 -1.753 -2.339 1.00 1.00 H new HETATM 0 H1MA RCY A 176 80.516 -5.454 -1.810 1.00 1.00 H new HETATM 0 H1LA RCY A 176 78.849 -6.592 -5.933 1.00 1.00 H new HETATM 0 H1CB RCY A 176 83.117 -3.109 -5.167 1.00 1.00 H new HETATM 0 H1CA RCY A 176 81.426 -2.553 -5.169 1.00 1.00 H new HETATM 0 H1Z RCY A 176 78.610 -2.455 -1.224 1.00 1.00 H new HETATM 0 H1Y RCY A 176 80.571 -1.903 0.169 1.00 1.00 H new HETATM 0 H1V RCY A 176 83.318 -3.192 -1.375 1.00 1.00 H new HETATM 0 H1U RCY A 176 82.538 -5.154 -3.434 1.00 1.00 H new HETATM 0 H1S RCY A 176 78.597 -3.533 -5.875 1.00 1.00 H new HETATM 0 H1M RCY A 176 82.041 -4.883 -1.164 1.00 1.00 H new HETATM 1461 C1C RCY A 187 79.588 -0.561 -1.744 1.00 1.00 C HETATM 1462 O1G RCY A 187 82.817 -1.462 -4.704 1.00 1.00 O HETATM 1463 O1H RCY A 187 82.429 2.697 -2.501 1.00 1.00 O HETATM 1464 O1J RCY A 187 80.009 -1.194 1.170 1.00 1.00 O HETATM 1465 C1L RCY A 187 83.039 0.857 -5.453 1.00 1.00 C HETATM 1466 C1M RCY A 187 83.144 -0.178 -0.791 1.00 1.00 C HETATM 1467 C1P RCY A 187 82.755 -0.262 -4.442 1.00 1.00 C HETATM 1468 C1Q RCY A 187 82.351 1.799 -3.339 1.00 1.00 C HETATM 1469 N1R RCY A 187 82.386 0.300 -3.070 1.00 1.00 N HETATM 1470 C1S RCY A 187 82.202 1.984 -4.838 1.00 1.00 C HETATM 1471 C1U RCY A 187 82.118 -0.442 -1.759 1.00 1.00 C HETATM 1472 C1V RCY A 187 80.764 1.542 -0.956 1.00 1.00 C HETATM 1473 N1V RCY A 187 81.027 -0.605 0.306 1.00 1.00 N HETATM 1474 C1W RCY A 187 82.524 -0.477 0.580 1.00 1.00 C HETATM 1475 C1X RCY A 187 80.834 0.018 -1.070 1.00 1.00 C HETATM 1476 C1Y RCY A 187 82.794 0.672 1.555 1.00 1.00 C HETATM 1477 C1Z RCY A 187 83.044 -1.798 1.148 1.00 1.00 C HETATM 0 H1VB RCY A 187 80.681 1.978 -1.952 1.00 1.00 H new HETATM 0 H1VA RCY A 187 79.894 1.823 -0.363 1.00 1.00 H new HETATM 0 H1LA RCY A 187 84.098 1.108 -5.511 1.00 1.00 H new HETATM 0 H1CA RCY A 187 79.626 -1.650 -1.705 1.00 1.00 H new HETATM 0 H1V RCY A 187 81.668 1.913 -0.472 1.00 1.00 H new HETATM 0 H1U RCY A 187 82.064 -1.491 -2.050 1.00 1.00 H new HETATM 0 H1S RCY A 187 81.158 1.915 -5.144 1.00 1.00 H new HETATM 0 H1M RCY A 187 83.478 0.858 -0.850 1.00 1.00 H new HETATM 0 H1L RCY A 187 82.716 0.600 -6.462 1.00 1.00 H new HETATM 0 H1C RCY A 187 78.697 -0.210 -1.224 1.00 1.00 H new