USER MOD reduce.3.24.130724 H: found=0, std=0, add=596, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 586 hydrogens (96 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 17 HIS HE2 : A 17 HIS NE2 : A 98 HECFE :(H bumps) USER MOD NoAdj-H: A 20 HIS HE2 : A 20 HIS NE2 : A 128 HECFE :(H bumps) USER MOD NoAdj-H: A 30 HIS HE2 : A 30 HIS NE2 : A 98 HECFE :(H bumps) USER MOD NoAdj-H: A 45 HIS HE2 : A 45 HIS NE2 : A 158 HECFE :(H bumps) USER MOD NoAdj-H: A 53 HIS HE2 : A 53 HIS NE2 : A 128 HECFE :(H bumps) USER MOD NoAdj-H: A 66 HIS HE2 : A 66 HIS NE2 : A 158 HECFE :(H bumps) USER MOD NoAdj-H: A 98 HEC HAB : A 98 HEC CAB : A 26 CYS SG :(H bumps) USER MOD NoAdj-H: A 128 HEC HAB : A 128 HEC CAB : A 49 CYS SG :(H bumps) USER MOD Set 1.1: A 5 THR OG1 : rot 180:sc= -0.858 USER MOD Set 1.2: A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 ALA N :NH3+ -109:sc= 0.0904 (180deg=0) USER MOD Single : A 6 TYR OH : rot 150:sc= 1.13 USER MOD Single : A 8 ASN : amide:sc= -4.96! C(o=-5!,f=-19!) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= 0.483 K(o=0.48,f=-3.4!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 CYS SG : rot -95:sc= -28.7! USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.523 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 180:sc= -0.0901 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 38:sc= 0.956 USER MOD Single : A 52 CYS SG : rot -140:sc= -19.6! USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= -0.116 K(o=-0.12,f=-1.1) USER MOD Single : A 57 ASN : amide:sc= -0.705 K(o=-0.71,f=-4.3!) USER MOD Single : A 60 THR OG1 : rot -58:sc= -0.0592 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 CYS SG : rot -28:sc= -21.1! USER MOD Single : A 65 CYS SG : rot -105:sc= -25.9! USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 HEC O2A : rot 166:sc= 0 USER MOD Single : A 98 HEC O2D : rot 170:sc= 0 USER MOD Single : A 128 HEC O2A : rot 166:sc= 0 USER MOD Single : A 128 HEC O2D : rot 170:sc= 0 USER MOD Single : A 158 HEC O2A : rot 166:sc= 0 USER MOD Single : A 158 HEC O2D : rot 170:sc= -2.35 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 4.507 -9.740 10.477 1.00 10.00 N ATOM 2 CA ALA A 1 5.788 -9.535 9.824 1.00 10.00 C ATOM 3 C ALA A 1 5.863 -8.100 9.296 1.00 10.00 C ATOM 4 O ALA A 1 4.838 -7.495 8.985 1.00 10.00 O ATOM 5 CB ALA A 1 5.969 -10.574 8.715 1.00 10.00 C ATOM 0 H1 ALA A 1 4.649 -9.813 11.505 1.00 10.00 H new ATOM 0 H2 ALA A 1 3.880 -8.937 10.270 1.00 10.00 H new ATOM 0 H3 ALA A 1 4.074 -10.617 10.124 1.00 10.00 H new ATOM 0 HA ALA A 1 6.605 -9.669 10.533 1.00 10.00 H new ATOM 0 HB1 ALA A 1 6.930 -10.420 8.225 1.00 10.00 H new ATOM 0 HB2 ALA A 1 5.938 -11.575 9.145 1.00 10.00 H new ATOM 0 HB3 ALA A 1 5.168 -10.468 7.983 1.00 10.00 H new ATOM 11 N ASP A 2 7.087 -7.597 9.213 1.00 10.00 N ATOM 12 CA ASP A 2 7.309 -6.247 8.729 1.00 10.00 C ATOM 13 C ASP A 2 6.761 -6.122 7.306 1.00 10.00 C ATOM 14 O ASP A 2 5.787 -5.409 7.071 1.00 10.00 O ATOM 15 CB ASP A 2 8.801 -5.912 8.692 1.00 10.00 C ATOM 16 CG ASP A 2 9.537 -6.091 10.021 1.00 10.00 C ATOM 17 OD1 ASP A 2 8.834 -6.241 11.043 1.00 10.00 O ATOM 18 OD2 ASP A 2 10.787 -6.071 9.985 1.00 10.00 O ATOM 0 H ASP A 2 7.934 -8.102 9.473 1.00 10.00 H new ATOM 0 HA ASP A 2 6.802 -5.560 9.407 1.00 10.00 H new ATOM 0 HB2 ASP A 2 9.280 -6.540 7.941 1.00 10.00 H new ATOM 0 HB3 ASP A 2 8.918 -4.879 8.365 1.00 10.00 H new ATOM 23 N VAL A 3 7.412 -6.828 6.392 1.00 10.00 N ATOM 24 CA VAL A 3 7.002 -6.806 4.998 1.00 10.00 C ATOM 25 C VAL A 3 5.905 -7.850 4.777 1.00 10.00 C ATOM 26 O VAL A 3 5.931 -8.920 5.382 1.00 10.00 O ATOM 27 CB VAL A 3 8.217 -7.014 4.092 1.00 10.00 C ATOM 28 CG1 VAL A 3 8.897 -8.353 4.387 1.00 10.00 C ATOM 29 CG2 VAL A 3 7.825 -6.912 2.617 1.00 10.00 C ATOM 0 H VAL A 3 8.220 -7.418 6.590 1.00 10.00 H new ATOM 0 HA VAL A 3 6.583 -5.834 4.738 1.00 10.00 H new ATOM 0 HB VAL A 3 8.933 -6.220 4.304 1.00 10.00 H new ATOM 0 HG11 VAL A 3 9.758 -8.477 3.730 1.00 10.00 H new ATOM 0 HG12 VAL A 3 9.228 -8.372 5.425 1.00 10.00 H new ATOM 0 HG13 VAL A 3 8.190 -9.165 4.216 1.00 10.00 H new ATOM 0 HG21 VAL A 3 8.707 -7.064 1.995 1.00 10.00 H new ATOM 0 HG22 VAL A 3 7.081 -7.674 2.385 1.00 10.00 H new ATOM 0 HG23 VAL A 3 7.407 -5.925 2.419 1.00 10.00 H new ATOM 39 N VAL A 4 4.968 -7.501 3.908 1.00 10.00 N ATOM 40 CA VAL A 4 3.864 -8.394 3.599 1.00 10.00 C ATOM 41 C VAL A 4 3.794 -8.608 2.085 1.00 10.00 C ATOM 42 O VAL A 4 2.708 -8.650 1.510 1.00 10.00 O ATOM 43 CB VAL A 4 2.563 -7.841 4.185 1.00 10.00 C ATOM 44 CG1 VAL A 4 1.388 -8.776 3.892 1.00 10.00 C ATOM 45 CG2 VAL A 4 2.703 -7.588 5.687 1.00 10.00 C ATOM 0 H VAL A 4 4.950 -6.612 3.408 1.00 10.00 H new ATOM 0 HA VAL A 4 4.023 -9.370 4.058 1.00 10.00 H new ATOM 0 HB VAL A 4 2.357 -6.885 3.703 1.00 10.00 H new ATOM 0 HG11 VAL A 4 0.476 -8.359 4.319 1.00 10.00 H new ATOM 0 HG12 VAL A 4 1.268 -8.882 2.814 1.00 10.00 H new ATOM 0 HG13 VAL A 4 1.582 -9.753 4.334 1.00 10.00 H new ATOM 0 HG21 VAL A 4 1.765 -7.195 6.079 1.00 10.00 H new ATOM 0 HG22 VAL A 4 2.944 -8.523 6.193 1.00 10.00 H new ATOM 0 HG23 VAL A 4 3.500 -6.865 5.861 1.00 10.00 H new ATOM 55 N THR A 5 4.968 -8.738 1.484 1.00 10.00 N ATOM 56 CA THR A 5 5.054 -8.946 0.048 1.00 10.00 C ATOM 57 C THR A 5 3.990 -9.945 -0.410 1.00 10.00 C ATOM 58 O THR A 5 3.839 -11.012 0.183 1.00 10.00 O ATOM 59 CB THR A 5 6.482 -9.385 -0.280 1.00 10.00 C ATOM 60 OG1 THR A 5 7.254 -8.197 -0.134 1.00 10.00 O ATOM 61 CG2 THR A 5 6.654 -9.762 -1.754 1.00 10.00 C ATOM 0 H THR A 5 5.867 -8.703 1.965 1.00 10.00 H new ATOM 0 HA THR A 5 4.848 -8.026 -0.499 1.00 10.00 H new ATOM 0 HB THR A 5 6.753 -10.234 0.347 1.00 10.00 H new ATOM 0 HG1 THR A 5 8.195 -8.392 -0.327 1.00 10.00 H new ATOM 0 HG21 THR A 5 7.685 -10.066 -1.934 1.00 10.00 H new ATOM 0 HG22 THR A 5 5.985 -10.586 -1.999 1.00 10.00 H new ATOM 0 HG23 THR A 5 6.415 -8.902 -2.380 1.00 10.00 H new ATOM 69 N TYR A 6 3.280 -9.563 -1.462 1.00 10.00 N ATOM 70 CA TYR A 6 2.234 -10.413 -2.006 1.00 10.00 C ATOM 71 C TYR A 6 2.810 -11.421 -3.002 1.00 10.00 C ATOM 72 O TYR A 6 4.026 -11.512 -3.166 1.00 10.00 O ATOM 73 CB TYR A 6 1.273 -9.477 -2.744 1.00 10.00 C ATOM 74 CG TYR A 6 0.006 -9.139 -1.957 1.00 10.00 C ATOM 75 CD1 TYR A 6 -1.058 -10.019 -1.952 1.00 10.00 C ATOM 76 CD2 TYR A 6 -0.073 -7.957 -1.250 1.00 10.00 C ATOM 77 CE1 TYR A 6 -2.252 -9.701 -1.210 1.00 10.00 C ATOM 78 CE2 TYR A 6 -1.266 -7.639 -0.508 1.00 10.00 C ATOM 79 CZ TYR A 6 -2.296 -8.527 -0.526 1.00 10.00 C ATOM 80 OH TYR A 6 -3.423 -8.227 0.175 1.00 10.00 O ATOM 0 H TYR A 6 3.408 -8.677 -1.952 1.00 10.00 H new ATOM 0 HA TYR A 6 1.743 -10.975 -1.212 1.00 10.00 H new ATOM 0 HB2 TYR A 6 1.797 -8.552 -2.985 1.00 10.00 H new ATOM 0 HB3 TYR A 6 0.989 -9.938 -3.690 1.00 10.00 H new ATOM 0 HD1 TYR A 6 -0.996 -10.945 -2.504 1.00 10.00 H new ATOM 0 HD2 TYR A 6 0.760 -7.270 -1.253 1.00 10.00 H new ATOM 0 HE1 TYR A 6 -3.092 -10.380 -1.198 1.00 10.00 H new ATOM 0 HE2 TYR A 6 -1.341 -6.717 0.050 1.00 10.00 H new ATOM 0 HH TYR A 6 -3.189 -7.676 0.951 1.00 10.00 H new ATOM 90 N GLU A 7 1.910 -12.154 -3.641 1.00 10.00 N ATOM 91 CA GLU A 7 2.313 -13.152 -4.617 1.00 10.00 C ATOM 92 C GLU A 7 1.255 -13.281 -5.713 1.00 10.00 C ATOM 93 O GLU A 7 0.922 -14.388 -6.134 1.00 10.00 O ATOM 94 CB GLU A 7 2.572 -14.502 -3.944 1.00 10.00 C ATOM 95 CG GLU A 7 4.053 -14.665 -3.594 1.00 10.00 C ATOM 96 CD GLU A 7 4.739 -15.642 -4.551 1.00 10.00 C ATOM 97 OE1 GLU A 7 4.078 -16.640 -4.912 1.00 10.00 O ATOM 98 OE2 GLU A 7 5.907 -15.368 -4.900 1.00 10.00 O ATOM 0 H GLU A 7 0.903 -12.077 -3.502 1.00 10.00 H new ATOM 0 HA GLU A 7 3.246 -12.826 -5.077 1.00 10.00 H new ATOM 0 HB2 GLU A 7 1.970 -14.583 -3.039 1.00 10.00 H new ATOM 0 HB3 GLU A 7 2.260 -15.309 -4.607 1.00 10.00 H new ATOM 0 HG2 GLU A 7 4.550 -13.696 -3.640 1.00 10.00 H new ATOM 0 HG3 GLU A 7 4.151 -15.025 -2.570 1.00 10.00 H new ATOM 105 N ASN A 8 0.755 -12.132 -6.146 1.00 10.00 N ATOM 106 CA ASN A 8 -0.259 -12.103 -7.186 1.00 10.00 C ATOM 107 C ASN A 8 0.297 -12.755 -8.455 1.00 10.00 C ATOM 108 O ASN A 8 1.456 -13.166 -8.488 1.00 10.00 O ATOM 109 CB ASN A 8 -0.656 -10.666 -7.529 1.00 10.00 C ATOM 110 CG ASN A 8 0.579 -9.812 -7.825 1.00 10.00 C ATOM 111 OD1 ASN A 8 1.525 -10.243 -8.463 1.00 10.00 O ATOM 112 ND2 ASN A 8 0.518 -8.580 -7.327 1.00 10.00 N ATOM 0 H ASN A 8 1.033 -11.215 -5.795 1.00 10.00 H new ATOM 0 HA ASN A 8 -1.133 -12.641 -6.819 1.00 10.00 H new ATOM 0 HB2 ASN A 8 -1.319 -10.665 -8.394 1.00 10.00 H new ATOM 0 HB3 ASN A 8 -1.213 -10.231 -6.699 1.00 10.00 H new ATOM 0 HD21 ASN A 8 1.293 -7.933 -7.470 1.00 10.00 H new ATOM 0 HD22 ASN A 8 -0.304 -8.282 -6.802 1.00 10.00 H new ATOM 119 N LYS A 9 -0.554 -12.827 -9.467 1.00 10.00 N ATOM 120 CA LYS A 9 -0.163 -13.421 -10.733 1.00 10.00 C ATOM 121 C LYS A 9 0.198 -12.311 -11.723 1.00 10.00 C ATOM 122 O LYS A 9 0.422 -12.575 -12.903 1.00 10.00 O ATOM 123 CB LYS A 9 -1.252 -14.368 -11.242 1.00 10.00 C ATOM 124 CG LYS A 9 -1.203 -15.706 -10.502 1.00 10.00 C ATOM 125 CD LYS A 9 -2.276 -16.662 -11.027 1.00 10.00 C ATOM 126 CE LYS A 9 -1.926 -18.114 -10.698 1.00 10.00 C ATOM 127 NZ LYS A 9 -2.401 -19.018 -11.768 1.00 10.00 N ATOM 0 H LYS A 9 -1.514 -12.483 -9.436 1.00 10.00 H new ATOM 0 HA LYS A 9 0.727 -14.037 -10.604 1.00 10.00 H new ATOM 0 HB2 LYS A 9 -2.231 -13.909 -11.106 1.00 10.00 H new ATOM 0 HB3 LYS A 9 -1.124 -14.535 -12.311 1.00 10.00 H new ATOM 0 HG2 LYS A 9 -0.218 -16.157 -10.623 1.00 10.00 H new ATOM 0 HG3 LYS A 9 -1.349 -15.541 -9.434 1.00 10.00 H new ATOM 0 HD2 LYS A 9 -3.241 -16.408 -10.587 1.00 10.00 H new ATOM 0 HD3 LYS A 9 -2.377 -16.544 -12.106 1.00 10.00 H new ATOM 0 HE2 LYS A 9 -0.847 -18.216 -10.580 1.00 10.00 H new ATOM 0 HE3 LYS A 9 -2.379 -18.397 -9.748 1.00 10.00 H new ATOM 0 HZ1 LYS A 9 -2.155 -20.000 -11.528 1.00 10.00 H new ATOM 0 HZ2 LYS A 9 -3.433 -18.933 -11.861 1.00 10.00 H new ATOM 0 HZ3 LYS A 9 -1.949 -18.758 -12.668 1.00 10.00 H new ATOM 141 N LYS A 10 0.242 -11.092 -11.204 1.00 10.00 N ATOM 142 CA LYS A 10 0.572 -9.941 -12.028 1.00 10.00 C ATOM 143 C LYS A 10 1.522 -9.023 -11.257 1.00 10.00 C ATOM 144 O LYS A 10 1.113 -7.974 -10.762 1.00 10.00 O ATOM 145 CB LYS A 10 -0.703 -9.243 -12.507 1.00 10.00 C ATOM 146 CG LYS A 10 -0.370 -8.044 -13.396 1.00 10.00 C ATOM 147 CD LYS A 10 -0.516 -8.400 -14.876 1.00 10.00 C ATOM 148 CE LYS A 10 0.851 -8.651 -15.518 1.00 10.00 C ATOM 149 NZ LYS A 10 1.365 -7.412 -16.142 1.00 10.00 N ATOM 0 H LYS A 10 0.055 -10.877 -10.225 1.00 10.00 H new ATOM 0 HA LYS A 10 1.095 -10.256 -12.931 1.00 10.00 H new ATOM 0 HB2 LYS A 10 -1.323 -9.949 -13.060 1.00 10.00 H new ATOM 0 HB3 LYS A 10 -1.286 -8.912 -11.647 1.00 10.00 H new ATOM 0 HG2 LYS A 10 -1.030 -7.212 -13.152 1.00 10.00 H new ATOM 0 HG3 LYS A 10 0.649 -7.712 -13.197 1.00 10.00 H new ATOM 0 HD2 LYS A 10 -1.139 -9.288 -14.980 1.00 10.00 H new ATOM 0 HD3 LYS A 10 -1.025 -7.591 -15.400 1.00 10.00 H new ATOM 0 HE2 LYS A 10 1.554 -9.004 -14.764 1.00 10.00 H new ATOM 0 HE3 LYS A 10 0.768 -9.436 -16.269 1.00 10.00 H new ATOM 0 HZ1 LYS A 10 2.293 -7.599 -16.573 1.00 10.00 H new ATOM 0 HZ2 LYS A 10 0.701 -7.091 -16.875 1.00 10.00 H new ATOM 0 HZ3 LYS A 10 1.463 -6.673 -15.417 1.00 10.00 H new ATOM 163 N GLY A 11 2.774 -9.451 -11.179 1.00 10.00 N ATOM 164 CA GLY A 11 3.785 -8.681 -10.476 1.00 10.00 C ATOM 165 C GLY A 11 3.396 -8.471 -9.011 1.00 10.00 C ATOM 166 O GLY A 11 2.581 -7.603 -8.700 1.00 10.00 O ATOM 0 H GLY A 11 3.111 -10.321 -11.591 1.00 10.00 H new ATOM 0 HA2 GLY A 11 4.743 -9.197 -10.531 1.00 10.00 H new ATOM 0 HA3 GLY A 11 3.915 -7.715 -10.963 1.00 10.00 H new ATOM 170 N ASN A 12 3.995 -9.279 -8.150 1.00 10.00 N ATOM 171 CA ASN A 12 3.722 -9.193 -6.726 1.00 10.00 C ATOM 172 C ASN A 12 4.292 -7.883 -6.180 1.00 10.00 C ATOM 173 O ASN A 12 5.361 -7.444 -6.602 1.00 10.00 O ATOM 174 CB ASN A 12 4.379 -10.348 -5.968 1.00 10.00 C ATOM 175 CG ASN A 12 5.859 -10.473 -6.334 1.00 10.00 C ATOM 176 OD1 ASN A 12 6.224 -10.749 -7.464 1.00 10.00 O ATOM 177 ND2 ASN A 12 6.688 -10.255 -5.317 1.00 10.00 N ATOM 0 H ASN A 12 4.670 -9.998 -8.412 1.00 10.00 H new ATOM 0 HA ASN A 12 2.642 -9.239 -6.586 1.00 10.00 H new ATOM 0 HB2 ASN A 12 4.279 -10.187 -4.895 1.00 10.00 H new ATOM 0 HB3 ASN A 12 3.863 -11.280 -6.200 1.00 10.00 H new ATOM 0 HD21 ASN A 12 7.696 -10.315 -5.459 1.00 10.00 H new ATOM 0 HD22 ASN A 12 6.315 -10.028 -4.395 1.00 10.00 H new ATOM 184 N VAL A 13 3.556 -7.296 -5.248 1.00 10.00 N ATOM 185 CA VAL A 13 3.975 -6.044 -4.640 1.00 10.00 C ATOM 186 C VAL A 13 4.799 -6.344 -3.386 1.00 10.00 C ATOM 187 O VAL A 13 4.646 -7.401 -2.776 1.00 10.00 O ATOM 188 CB VAL A 13 2.755 -5.165 -4.359 1.00 10.00 C ATOM 189 CG1 VAL A 13 1.883 -5.022 -5.607 1.00 10.00 C ATOM 190 CG2 VAL A 13 1.945 -5.712 -3.182 1.00 10.00 C ATOM 0 H VAL A 13 2.671 -7.664 -4.899 1.00 10.00 H new ATOM 0 HA VAL A 13 4.613 -5.481 -5.322 1.00 10.00 H new ATOM 0 HB VAL A 13 3.113 -4.172 -4.086 1.00 10.00 H new ATOM 0 HG11 VAL A 13 1.023 -4.392 -5.380 1.00 10.00 H new ATOM 0 HG12 VAL A 13 2.465 -4.565 -6.407 1.00 10.00 H new ATOM 0 HG13 VAL A 13 1.538 -6.006 -5.925 1.00 10.00 H new ATOM 0 HG21 VAL A 13 1.083 -5.069 -3.003 1.00 10.00 H new ATOM 0 HG22 VAL A 13 1.603 -6.721 -3.413 1.00 10.00 H new ATOM 0 HG23 VAL A 13 2.571 -5.737 -2.290 1.00 10.00 H new ATOM 200 N THR A 14 5.654 -5.394 -3.039 1.00 10.00 N ATOM 201 CA THR A 14 6.502 -5.542 -1.868 1.00 10.00 C ATOM 202 C THR A 14 5.956 -4.714 -0.704 1.00 10.00 C ATOM 203 O THR A 14 6.538 -3.696 -0.333 1.00 10.00 O ATOM 204 CB THR A 14 7.930 -5.160 -2.267 1.00 10.00 C ATOM 205 OG1 THR A 14 8.354 -6.231 -3.106 1.00 10.00 O ATOM 206 CG2 THR A 14 8.900 -5.205 -1.086 1.00 10.00 C ATOM 0 H THR A 14 5.778 -4.519 -3.548 1.00 10.00 H new ATOM 0 HA THR A 14 6.511 -6.573 -1.515 1.00 10.00 H new ATOM 0 HB THR A 14 7.931 -4.159 -2.699 1.00 10.00 H new ATOM 0 HG1 THR A 14 9.270 -6.064 -3.412 1.00 10.00 H new ATOM 0 HG21 THR A 14 9.898 -4.926 -1.424 1.00 10.00 H new ATOM 0 HG22 THR A 14 8.569 -4.508 -0.317 1.00 10.00 H new ATOM 0 HG23 THR A 14 8.926 -6.214 -0.674 1.00 10.00 H new ATOM 214 N PHE A 15 4.842 -5.181 -0.159 1.00 10.00 N ATOM 215 CA PHE A 15 4.209 -4.496 0.955 1.00 10.00 C ATOM 216 C PHE A 15 5.243 -4.083 2.003 1.00 10.00 C ATOM 217 O PHE A 15 6.371 -4.574 1.994 1.00 10.00 O ATOM 218 CB PHE A 15 3.226 -5.485 1.587 1.00 10.00 C ATOM 219 CG PHE A 15 1.762 -5.047 1.503 1.00 10.00 C ATOM 220 CD1 PHE A 15 1.117 -5.055 0.306 1.00 10.00 C ATOM 221 CD2 PHE A 15 1.107 -4.649 2.626 1.00 10.00 C ATOM 222 CE1 PHE A 15 -0.241 -4.648 0.228 1.00 10.00 C ATOM 223 CE2 PHE A 15 -0.252 -4.242 2.548 1.00 10.00 C ATOM 224 CZ PHE A 15 -0.896 -4.250 1.350 1.00 10.00 C ATOM 0 H PHE A 15 4.362 -6.026 -0.469 1.00 10.00 H new ATOM 0 HA PHE A 15 3.709 -3.594 0.602 1.00 10.00 H new ATOM 0 HB2 PHE A 15 3.334 -6.452 1.096 1.00 10.00 H new ATOM 0 HB3 PHE A 15 3.492 -5.627 2.634 1.00 10.00 H new ATOM 0 HD1 PHE A 15 1.638 -5.371 -0.586 1.00 10.00 H new ATOM 0 HD2 PHE A 15 1.619 -4.642 3.577 1.00 10.00 H new ATOM 0 HE1 PHE A 15 -0.753 -4.655 -0.723 1.00 10.00 H new ATOM 0 HE2 PHE A 15 -0.773 -3.926 3.440 1.00 10.00 H new ATOM 0 HZ PHE A 15 -1.929 -3.940 1.290 1.00 10.00 H new ATOM 234 N ASP A 16 4.822 -3.186 2.882 1.00 10.00 N ATOM 235 CA ASP A 16 5.698 -2.701 3.935 1.00 10.00 C ATOM 236 C ASP A 16 4.858 -2.312 5.153 1.00 10.00 C ATOM 237 O ASP A 16 4.037 -1.397 5.079 1.00 10.00 O ATOM 238 CB ASP A 16 6.473 -1.463 3.480 1.00 10.00 C ATOM 239 CG ASP A 16 7.310 -1.653 2.213 1.00 10.00 C ATOM 240 OD1 ASP A 16 6.692 -1.722 1.129 1.00 10.00 O ATOM 241 OD2 ASP A 16 8.550 -1.725 2.358 1.00 10.00 O ATOM 0 H ASP A 16 3.885 -2.782 2.887 1.00 10.00 H new ATOM 0 HA ASP A 16 6.401 -3.496 4.181 1.00 10.00 H new ATOM 0 HB2 ASP A 16 5.765 -0.652 3.311 1.00 10.00 H new ATOM 0 HB3 ASP A 16 7.132 -1.148 4.289 1.00 10.00 H new ATOM 246 N HIS A 17 5.091 -3.024 6.245 1.00 10.00 N ATOM 247 CA HIS A 17 4.365 -2.764 7.477 1.00 10.00 C ATOM 248 C HIS A 17 5.278 -2.037 8.466 1.00 10.00 C ATOM 249 O HIS A 17 4.904 -1.002 9.016 1.00 10.00 O ATOM 250 CB HIS A 17 3.785 -4.059 8.049 1.00 10.00 C ATOM 251 CG HIS A 17 2.441 -3.888 8.715 1.00 10.00 C ATOM 252 ND1 HIS A 17 2.249 -4.066 10.074 1.00 10.00 N ATOM 253 CD2 HIS A 17 1.225 -3.553 8.195 1.00 10.00 C ATOM 254 CE1 HIS A 17 0.972 -3.846 10.349 1.00 10.00 C ATOM 255 NE2 HIS A 17 0.339 -3.529 9.183 1.00 10.00 N ATOM 0 H HIS A 17 5.772 -3.781 6.303 1.00 10.00 H new ATOM 0 HA HIS A 17 3.515 -2.112 7.272 1.00 10.00 H new ATOM 0 HB2 HIS A 17 3.690 -4.789 7.245 1.00 10.00 H new ATOM 0 HB3 HIS A 17 4.488 -4.471 8.773 1.00 10.00 H new ATOM 0 HD1 HIS A 17 2.969 -4.323 10.749 1.00 10.00 H new ATOM 0 HD2 HIS A 17 1.018 -3.343 7.156 1.00 10.00 H new ATOM 0 HE1 HIS A 17 0.513 -3.907 11.325 1.00 10.00 H new ATOM 263 N LYS A 18 6.458 -2.606 8.663 1.00 10.00 N ATOM 264 CA LYS A 18 7.426 -2.024 9.576 1.00 10.00 C ATOM 265 C LYS A 18 8.311 -1.036 8.813 1.00 10.00 C ATOM 266 O LYS A 18 8.726 -0.016 9.361 1.00 10.00 O ATOM 267 CB LYS A 18 8.211 -3.123 10.296 1.00 10.00 C ATOM 268 CG LYS A 18 8.628 -2.670 11.697 1.00 10.00 C ATOM 269 CD LYS A 18 9.865 -3.434 12.175 1.00 10.00 C ATOM 270 CE LYS A 18 9.908 -3.505 13.703 1.00 10.00 C ATOM 271 NZ LYS A 18 9.914 -4.914 14.156 1.00 10.00 N ATOM 0 H LYS A 18 6.765 -3.464 8.206 1.00 10.00 H new ATOM 0 HA LYS A 18 6.920 -1.460 10.359 1.00 10.00 H new ATOM 0 HB2 LYS A 18 7.601 -4.023 10.367 1.00 10.00 H new ATOM 0 HB3 LYS A 18 9.096 -3.383 9.715 1.00 10.00 H new ATOM 0 HG2 LYS A 18 8.837 -1.600 11.690 1.00 10.00 H new ATOM 0 HG3 LYS A 18 7.806 -2.829 12.394 1.00 10.00 H new ATOM 0 HD2 LYS A 18 9.857 -4.442 11.760 1.00 10.00 H new ATOM 0 HD3 LYS A 18 10.765 -2.944 11.804 1.00 10.00 H new ATOM 0 HE2 LYS A 18 10.798 -2.994 14.072 1.00 10.00 H new ATOM 0 HE3 LYS A 18 9.046 -2.986 14.122 1.00 10.00 H new ATOM 0 HZ1 LYS A 18 9.943 -4.944 15.195 1.00 10.00 H new ATOM 0 HZ2 LYS A 18 9.053 -5.390 13.820 1.00 10.00 H new ATOM 0 HZ3 LYS A 18 10.750 -5.399 13.772 1.00 10.00 H new ATOM 285 N ALA A 19 8.575 -1.374 7.559 1.00 10.00 N ATOM 286 CA ALA A 19 9.404 -0.529 6.715 1.00 10.00 C ATOM 287 C ALA A 19 8.683 0.798 6.467 1.00 10.00 C ATOM 288 O ALA A 19 9.317 1.850 6.408 1.00 10.00 O ATOM 289 CB ALA A 19 9.729 -1.269 5.416 1.00 10.00 C ATOM 0 H ALA A 19 8.230 -2.221 7.107 1.00 10.00 H new ATOM 0 HA ALA A 19 10.350 -0.303 7.207 1.00 10.00 H new ATOM 0 HB1 ALA A 19 10.351 -0.636 4.782 1.00 10.00 H new ATOM 0 HB2 ALA A 19 10.265 -2.190 5.646 1.00 10.00 H new ATOM 0 HB3 ALA A 19 8.803 -1.509 4.893 1.00 10.00 H new ATOM 295 N HIS A 20 7.369 0.704 6.325 1.00 10.00 N ATOM 296 CA HIS A 20 6.556 1.884 6.083 1.00 10.00 C ATOM 297 C HIS A 20 6.327 2.628 7.401 1.00 10.00 C ATOM 298 O HIS A 20 6.702 3.791 7.535 1.00 10.00 O ATOM 299 CB HIS A 20 5.252 1.510 5.378 1.00 10.00 C ATOM 300 CG HIS A 20 5.312 1.621 3.873 1.00 10.00 C ATOM 301 ND1 HIS A 20 6.495 1.517 3.161 1.00 10.00 N ATOM 302 CD2 HIS A 20 4.327 1.829 2.955 1.00 10.00 C ATOM 303 CE1 HIS A 20 6.220 1.658 1.873 1.00 10.00 C ATOM 304 NE2 HIS A 20 4.877 1.851 1.747 1.00 10.00 N ATOM 0 H HIS A 20 6.847 -0.171 6.373 1.00 10.00 H new ATOM 0 HA HIS A 20 7.082 2.561 5.410 1.00 10.00 H new ATOM 0 HB2 HIS A 20 4.987 0.487 5.646 1.00 10.00 H new ATOM 0 HB3 HIS A 20 4.454 2.154 5.748 1.00 10.00 H new ATOM 0 HD1 HIS A 20 7.420 1.359 3.560 1.00 10.00 H new ATOM 0 HD2 HIS A 20 3.277 1.955 3.173 1.00 10.00 H new ATOM 0 HE1 HIS A 20 6.935 1.626 1.064 1.00 10.00 H new ATOM 312 N ALA A 21 5.712 1.925 8.341 1.00 10.00 N ATOM 313 CA ALA A 21 5.426 2.504 9.643 1.00 10.00 C ATOM 314 C ALA A 21 6.615 3.358 10.087 1.00 10.00 C ATOM 315 O ALA A 21 6.443 4.343 10.803 1.00 10.00 O ATOM 316 CB ALA A 21 5.106 1.387 10.639 1.00 10.00 C ATOM 0 H ALA A 21 5.404 0.959 8.227 1.00 10.00 H new ATOM 0 HA ALA A 21 4.553 3.155 9.591 1.00 10.00 H new ATOM 0 HB1 ALA A 21 4.891 1.821 11.616 1.00 10.00 H new ATOM 0 HB2 ALA A 21 4.237 0.828 10.292 1.00 10.00 H new ATOM 0 HB3 ALA A 21 5.961 0.716 10.720 1.00 10.00 H new ATOM 322 N GLU A 22 7.795 2.950 9.642 1.00 10.00 N ATOM 323 CA GLU A 22 9.012 3.665 9.986 1.00 10.00 C ATOM 324 C GLU A 22 8.822 5.169 9.774 1.00 10.00 C ATOM 325 O GLU A 22 9.076 5.964 10.678 1.00 10.00 O ATOM 326 CB GLU A 22 10.201 3.145 9.176 1.00 10.00 C ATOM 327 CG GLU A 22 10.647 1.771 9.678 1.00 10.00 C ATOM 328 CD GLU A 22 12.083 1.819 10.206 1.00 10.00 C ATOM 329 OE1 GLU A 22 13.001 1.693 9.367 1.00 10.00 O ATOM 330 OE2 GLU A 22 12.229 1.980 11.437 1.00 10.00 O ATOM 0 H GLU A 22 7.934 2.134 9.046 1.00 10.00 H new ATOM 0 HA GLU A 22 9.227 3.490 11.040 1.00 10.00 H new ATOM 0 HB2 GLU A 22 9.928 3.080 8.123 1.00 10.00 H new ATOM 0 HB3 GLU A 22 11.030 3.849 9.247 1.00 10.00 H new ATOM 0 HG2 GLU A 22 9.976 1.433 10.468 1.00 10.00 H new ATOM 0 HG3 GLU A 22 10.577 1.044 8.869 1.00 10.00 H new ATOM 337 N LYS A 23 8.374 5.514 8.575 1.00 10.00 N ATOM 338 CA LYS A 23 8.146 6.908 8.234 1.00 10.00 C ATOM 339 C LYS A 23 6.703 7.283 8.579 1.00 10.00 C ATOM 340 O LYS A 23 6.448 8.365 9.104 1.00 10.00 O ATOM 341 CB LYS A 23 8.518 7.169 6.774 1.00 10.00 C ATOM 342 CG LYS A 23 9.996 7.543 6.642 1.00 10.00 C ATOM 343 CD LYS A 23 10.188 9.058 6.733 1.00 10.00 C ATOM 344 CE LYS A 23 9.744 9.745 5.439 1.00 10.00 C ATOM 345 NZ LYS A 23 8.816 10.859 5.736 1.00 10.00 N ATOM 0 H LYS A 23 8.163 4.852 7.828 1.00 10.00 H new ATOM 0 HA LYS A 23 8.793 7.556 8.824 1.00 10.00 H new ATOM 0 HB2 LYS A 23 8.310 6.281 6.178 1.00 10.00 H new ATOM 0 HB3 LYS A 23 7.899 7.973 6.376 1.00 10.00 H new ATOM 0 HG2 LYS A 23 10.571 7.052 7.427 1.00 10.00 H new ATOM 0 HG3 LYS A 23 10.383 7.180 5.690 1.00 10.00 H new ATOM 0 HD2 LYS A 23 9.615 9.451 7.573 1.00 10.00 H new ATOM 0 HD3 LYS A 23 11.236 9.284 6.928 1.00 10.00 H new ATOM 0 HE2 LYS A 23 10.615 10.122 4.903 1.00 10.00 H new ATOM 0 HE3 LYS A 23 9.256 9.022 4.785 1.00 10.00 H new ATOM 0 HZ1 LYS A 23 8.524 11.314 4.848 1.00 10.00 H new ATOM 0 HZ2 LYS A 23 7.977 10.490 6.228 1.00 10.00 H new ATOM 0 HZ3 LYS A 23 9.294 11.556 6.342 1.00 10.00 H new ATOM 359 N LEU A 24 5.797 6.368 8.268 1.00 10.00 N ATOM 360 CA LEU A 24 4.387 6.588 8.537 1.00 10.00 C ATOM 361 C LEU A 24 4.141 6.503 10.045 1.00 10.00 C ATOM 362 O LEU A 24 4.531 7.397 10.794 1.00 10.00 O ATOM 363 CB LEU A 24 3.527 5.624 7.718 1.00 10.00 C ATOM 364 CG LEU A 24 3.612 5.775 6.198 1.00 10.00 C ATOM 365 CD1 LEU A 24 4.913 5.178 5.659 1.00 10.00 C ATOM 366 CD2 LEU A 24 2.380 5.176 5.518 1.00 10.00 C ATOM 0 H LEU A 24 6.013 5.472 7.832 1.00 10.00 H new ATOM 0 HA LEU A 24 4.091 7.588 8.221 1.00 10.00 H new ATOM 0 HB2 LEU A 24 3.811 4.604 7.978 1.00 10.00 H new ATOM 0 HB3 LEU A 24 2.487 5.752 8.018 1.00 10.00 H new ATOM 0 HG LEU A 24 3.625 6.839 5.961 1.00 10.00 H new ATOM 0 HD11 LEU A 24 4.948 5.299 4.576 1.00 10.00 H new ATOM 0 HD12 LEU A 24 5.763 5.692 6.109 1.00 10.00 H new ATOM 0 HD13 LEU A 24 4.957 4.118 5.907 1.00 10.00 H new ATOM 0 HD21 LEU A 24 2.466 5.297 4.438 1.00 10.00 H new ATOM 0 HD22 LEU A 24 2.310 4.116 5.760 1.00 10.00 H new ATOM 0 HD23 LEU A 24 1.485 5.688 5.870 1.00 10.00 H new ATOM 378 N GLY A 25 3.494 5.418 10.446 1.00 10.00 N ATOM 379 CA GLY A 25 3.191 5.203 11.851 1.00 10.00 C ATOM 380 C GLY A 25 1.777 4.647 12.028 1.00 10.00 C ATOM 381 O GLY A 25 1.060 5.043 12.946 1.00 10.00 O ATOM 0 H GLY A 25 3.171 4.678 9.822 1.00 10.00 H new ATOM 0 HA2 GLY A 25 3.914 4.510 12.281 1.00 10.00 H new ATOM 0 HA3 GLY A 25 3.287 6.142 12.395 1.00 10.00 H new ATOM 385 N CYS A 26 1.417 3.736 11.135 1.00 10.00 N ATOM 386 CA CYS A 26 0.102 3.121 11.181 1.00 10.00 C ATOM 387 C CYS A 26 -0.935 4.175 10.786 1.00 10.00 C ATOM 388 O CYS A 26 -1.670 3.995 9.815 1.00 10.00 O ATOM 389 CB CYS A 26 -0.193 2.519 12.557 1.00 10.00 C ATOM 390 SG CYS A 26 1.288 2.144 13.563 1.00 10.00 S ATOM 0 H CYS A 26 2.014 3.409 10.375 1.00 10.00 H new ATOM 0 HA CYS A 26 0.061 2.290 10.477 1.00 10.00 H new ATOM 0 HB2 CYS A 26 -0.827 3.210 13.112 1.00 10.00 H new ATOM 0 HB3 CYS A 26 -0.765 1.601 12.422 1.00 10.00 H new ATOM 395 N ASP A 27 -0.962 5.252 11.557 1.00 10.00 N ATOM 396 CA ASP A 27 -1.896 6.334 11.299 1.00 10.00 C ATOM 397 C ASP A 27 -1.539 7.005 9.971 1.00 10.00 C ATOM 398 O ASP A 27 -1.194 8.185 9.940 1.00 10.00 O ATOM 399 CB ASP A 27 -1.826 7.396 12.399 1.00 10.00 C ATOM 400 CG ASP A 27 -2.263 6.920 13.786 1.00 10.00 C ATOM 401 OD1 ASP A 27 -3.488 6.936 14.031 1.00 10.00 O ATOM 402 OD2 ASP A 27 -1.362 6.551 14.569 1.00 10.00 O ATOM 0 H ASP A 27 -0.352 5.398 12.361 1.00 10.00 H new ATOM 0 HA ASP A 27 -2.900 5.912 11.268 1.00 10.00 H new ATOM 0 HB2 ASP A 27 -0.802 7.764 12.464 1.00 10.00 H new ATOM 0 HB3 ASP A 27 -2.450 8.241 12.108 1.00 10.00 H new ATOM 407 N ALA A 28 -1.634 6.223 8.905 1.00 10.00 N ATOM 408 CA ALA A 28 -1.326 6.727 7.578 1.00 10.00 C ATOM 409 C ALA A 28 -2.304 6.124 6.568 1.00 10.00 C ATOM 410 O ALA A 28 -2.865 6.838 5.739 1.00 10.00 O ATOM 411 CB ALA A 28 0.133 6.412 7.238 1.00 10.00 C ATOM 0 H ALA A 28 -1.920 5.244 8.934 1.00 10.00 H new ATOM 0 HA ALA A 28 -1.442 7.810 7.542 1.00 10.00 H new ATOM 0 HB1 ALA A 28 0.364 6.790 6.242 1.00 10.00 H new ATOM 0 HB2 ALA A 28 0.788 6.888 7.968 1.00 10.00 H new ATOM 0 HB3 ALA A 28 0.287 5.333 7.261 1.00 10.00 H new ATOM 417 N CYS A 29 -2.478 4.814 6.671 1.00 10.00 N ATOM 418 CA CYS A 29 -3.379 4.106 5.778 1.00 10.00 C ATOM 419 C CYS A 29 -4.517 3.515 6.612 1.00 10.00 C ATOM 420 O CYS A 29 -5.478 2.978 6.063 1.00 10.00 O ATOM 421 CB CYS A 29 -2.646 3.033 4.970 1.00 10.00 C ATOM 422 SG CYS A 29 -0.979 2.608 5.594 1.00 10.00 S ATOM 0 H CYS A 29 -2.010 4.225 7.360 1.00 10.00 H new ATOM 0 HA CYS A 29 -3.790 4.801 5.046 1.00 10.00 H new ATOM 0 HB2 CYS A 29 -3.255 2.129 4.956 1.00 10.00 H new ATOM 0 HB3 CYS A 29 -2.557 3.373 3.938 1.00 10.00 H new ATOM 0 HG CYS A 29 -0.086 3.301 4.952 1.00 10.00 H new ATOM 427 N HIS A 30 -4.370 3.634 7.923 1.00 10.00 N ATOM 428 CA HIS A 30 -5.374 3.117 8.838 1.00 10.00 C ATOM 429 C HIS A 30 -6.011 4.276 9.607 1.00 10.00 C ATOM 430 O HIS A 30 -5.833 5.438 9.247 1.00 10.00 O ATOM 431 CB HIS A 30 -4.773 2.054 9.759 1.00 10.00 C ATOM 432 CG HIS A 30 -4.142 0.893 9.028 1.00 10.00 C ATOM 433 ND1 HIS A 30 -4.872 0.009 8.252 1.00 10.00 N ATOM 434 CD2 HIS A 30 -2.843 0.482 8.960 1.00 10.00 C ATOM 435 CE1 HIS A 30 -4.039 -0.890 7.747 1.00 10.00 C ATOM 436 NE2 HIS A 30 -2.782 -0.595 8.187 1.00 10.00 N ATOM 0 H HIS A 30 -3.571 4.081 8.374 1.00 10.00 H new ATOM 0 HA HIS A 30 -6.165 2.621 8.275 1.00 10.00 H new ATOM 0 HB2 HIS A 30 -4.021 2.522 10.394 1.00 10.00 H new ATOM 0 HB3 HIS A 30 -5.555 1.674 10.417 1.00 10.00 H new ATOM 0 HD1 HIS A 30 -5.879 0.044 8.095 1.00 10.00 H new ATOM 0 HD2 HIS A 30 -2.005 0.954 9.452 1.00 10.00 H new ATOM 0 HE1 HIS A 30 -4.308 -1.712 7.100 1.00 10.00 H new ATOM 444 N GLU A 31 -6.742 3.918 10.653 1.00 10.00 N ATOM 445 CA GLU A 31 -7.408 4.914 11.476 1.00 10.00 C ATOM 446 C GLU A 31 -8.233 4.232 12.570 1.00 10.00 C ATOM 447 O GLU A 31 -9.185 3.511 12.275 1.00 10.00 O ATOM 448 CB GLU A 31 -8.282 5.835 10.624 1.00 10.00 C ATOM 449 CG GLU A 31 -7.873 7.299 10.801 1.00 10.00 C ATOM 450 CD GLU A 31 -9.097 8.216 10.793 1.00 10.00 C ATOM 451 OE1 GLU A 31 -9.559 8.537 9.677 1.00 10.00 O ATOM 452 OE2 GLU A 31 -9.544 8.575 11.903 1.00 10.00 O ATOM 0 H GLU A 31 -6.888 2.953 10.949 1.00 10.00 H new ATOM 0 HA GLU A 31 -6.646 5.531 11.953 1.00 10.00 H new ATOM 0 HB2 GLU A 31 -8.196 5.554 9.574 1.00 10.00 H new ATOM 0 HB3 GLU A 31 -9.328 5.710 10.903 1.00 10.00 H new ATOM 0 HG2 GLU A 31 -7.332 7.418 11.739 1.00 10.00 H new ATOM 0 HG3 GLU A 31 -7.192 7.589 10.001 1.00 10.00 H new ATOM 459 N GLY A 32 -7.838 4.486 13.809 1.00 10.00 N ATOM 460 CA GLY A 32 -8.529 3.906 14.947 1.00 10.00 C ATOM 461 C GLY A 32 -8.135 2.440 15.140 1.00 10.00 C ATOM 462 O GLY A 32 -7.727 2.041 16.229 1.00 10.00 O ATOM 0 H GLY A 32 -7.048 5.085 14.049 1.00 10.00 H new ATOM 0 HA2 GLY A 32 -8.291 4.472 15.848 1.00 10.00 H new ATOM 0 HA3 GLY A 32 -9.606 3.980 14.799 1.00 10.00 H new ATOM 466 N THR A 33 -8.272 1.678 14.065 1.00 10.00 N ATOM 467 CA THR A 33 -7.935 0.265 14.101 1.00 10.00 C ATOM 468 C THR A 33 -7.368 -0.183 12.753 1.00 10.00 C ATOM 469 O THR A 33 -8.111 -0.339 11.784 1.00 10.00 O ATOM 470 CB THR A 33 -9.186 -0.508 14.522 1.00 10.00 C ATOM 471 OG1 THR A 33 -9.535 0.055 15.783 1.00 10.00 O ATOM 472 CG2 THR A 33 -8.888 -1.976 14.838 1.00 10.00 C ATOM 0 H THR A 33 -8.612 2.012 13.163 1.00 10.00 H new ATOM 0 HA THR A 33 -7.150 0.064 14.830 1.00 10.00 H new ATOM 0 HB THR A 33 -9.932 -0.451 13.729 1.00 10.00 H new ATOM 0 HG1 THR A 33 -10.338 -0.388 16.128 1.00 10.00 H new ATOM 0 HG21 THR A 33 -9.809 -2.479 15.131 1.00 10.00 H new ATOM 0 HG22 THR A 33 -8.475 -2.462 13.954 1.00 10.00 H new ATOM 0 HG23 THR A 33 -8.167 -2.034 15.654 1.00 10.00 H new ATOM 480 N PRO A 34 -6.023 -0.382 12.731 1.00 10.00 N ATOM 481 CA PRO A 34 -5.348 -0.809 11.518 1.00 10.00 C ATOM 482 C PRO A 34 -5.607 -2.291 11.240 1.00 10.00 C ATOM 483 O PRO A 34 -4.669 -3.061 11.034 1.00 10.00 O ATOM 484 CB PRO A 34 -3.879 -0.496 11.753 1.00 10.00 C ATOM 485 CG PRO A 34 -3.723 -0.339 13.257 1.00 10.00 C ATOM 486 CD PRO A 34 -5.112 -0.206 13.860 1.00 10.00 C ATOM 0 HA PRO A 34 -5.713 -0.294 10.630 1.00 10.00 H new ATOM 0 HB2 PRO A 34 -3.244 -1.297 11.376 1.00 10.00 H new ATOM 0 HB3 PRO A 34 -3.586 0.416 11.232 1.00 10.00 H new ATOM 0 HG2 PRO A 34 -3.205 -1.200 13.679 1.00 10.00 H new ATOM 0 HG3 PRO A 34 -3.121 0.540 13.488 1.00 10.00 H new ATOM 0 HD2 PRO A 34 -5.284 -0.959 14.629 1.00 10.00 H new ATOM 0 HD3 PRO A 34 -5.248 0.768 14.331 1.00 10.00 H new ATOM 494 N ALA A 35 -6.883 -2.646 11.241 1.00 10.00 N ATOM 495 CA ALA A 35 -7.276 -4.023 10.991 1.00 10.00 C ATOM 496 C ALA A 35 -6.896 -4.406 9.560 1.00 10.00 C ATOM 497 O ALA A 35 -6.249 -3.631 8.857 1.00 10.00 O ATOM 498 CB ALA A 35 -8.775 -4.183 11.258 1.00 10.00 C ATOM 0 H ALA A 35 -7.658 -2.005 11.411 1.00 10.00 H new ATOM 0 HA ALA A 35 -6.750 -4.700 11.664 1.00 10.00 H new ATOM 0 HB1 ALA A 35 -9.070 -5.216 11.071 1.00 10.00 H new ATOM 0 HB2 ALA A 35 -8.989 -3.927 12.296 1.00 10.00 H new ATOM 0 HB3 ALA A 35 -9.335 -3.520 10.598 1.00 10.00 H new ATOM 504 N LYS A 36 -7.312 -5.602 9.170 1.00 10.00 N ATOM 505 CA LYS A 36 -7.022 -6.098 7.835 1.00 10.00 C ATOM 506 C LYS A 36 -7.920 -5.382 6.824 1.00 10.00 C ATOM 507 O LYS A 36 -9.143 -5.503 6.878 1.00 10.00 O ATOM 508 CB LYS A 36 -7.141 -7.622 7.792 1.00 10.00 C ATOM 509 CG LYS A 36 -8.600 -8.062 7.929 1.00 10.00 C ATOM 510 CD LYS A 36 -9.125 -8.638 6.614 1.00 10.00 C ATOM 511 CE LYS A 36 -10.323 -7.835 6.103 1.00 10.00 C ATOM 512 NZ LYS A 36 -11.450 -8.735 5.773 1.00 10.00 N ATOM 0 H LYS A 36 -7.848 -6.243 9.755 1.00 10.00 H new ATOM 0 HA LYS A 36 -5.991 -5.874 7.561 1.00 10.00 H new ATOM 0 HB2 LYS A 36 -6.731 -7.996 6.854 1.00 10.00 H new ATOM 0 HB3 LYS A 36 -6.548 -8.059 8.596 1.00 10.00 H new ATOM 0 HG2 LYS A 36 -8.685 -8.810 8.717 1.00 10.00 H new ATOM 0 HG3 LYS A 36 -9.213 -7.212 8.228 1.00 10.00 H new ATOM 0 HD2 LYS A 36 -8.332 -8.629 5.867 1.00 10.00 H new ATOM 0 HD3 LYS A 36 -9.415 -9.679 6.759 1.00 10.00 H new ATOM 0 HE2 LYS A 36 -10.635 -7.115 6.860 1.00 10.00 H new ATOM 0 HE3 LYS A 36 -10.035 -7.265 5.220 1.00 10.00 H new ATOM 0 HZ1 LYS A 36 -12.254 -8.173 5.428 1.00 10.00 H new ATOM 0 HZ2 LYS A 36 -11.154 -9.405 5.035 1.00 10.00 H new ATOM 0 HZ3 LYS A 36 -11.735 -9.261 6.624 1.00 10.00 H new ATOM 526 N ILE A 37 -7.278 -4.650 5.924 1.00 10.00 N ATOM 527 CA ILE A 37 -8.003 -3.914 4.903 1.00 10.00 C ATOM 528 C ILE A 37 -8.392 -4.869 3.772 1.00 10.00 C ATOM 529 O ILE A 37 -7.780 -5.924 3.608 1.00 10.00 O ATOM 530 CB ILE A 37 -7.191 -2.705 4.435 1.00 10.00 C ATOM 531 CG1 ILE A 37 -6.864 -1.778 5.607 1.00 10.00 C ATOM 532 CG2 ILE A 37 -7.908 -1.967 3.302 1.00 10.00 C ATOM 533 CD1 ILE A 37 -6.102 -0.539 5.129 1.00 10.00 C ATOM 0 H ILE A 37 -6.264 -4.551 5.881 1.00 10.00 H new ATOM 0 HA ILE A 37 -8.929 -3.508 5.311 1.00 10.00 H new ATOM 0 HB ILE A 37 -6.243 -3.064 4.035 1.00 10.00 H new ATOM 0 HG12 ILE A 37 -7.786 -1.474 6.103 1.00 10.00 H new ATOM 0 HG13 ILE A 37 -6.267 -2.315 6.344 1.00 10.00 H new ATOM 0 HG21 ILE A 37 -7.309 -1.112 2.988 1.00 10.00 H new ATOM 0 HG22 ILE A 37 -8.046 -2.643 2.458 1.00 10.00 H new ATOM 0 HG23 ILE A 37 -8.880 -1.620 3.652 1.00 10.00 H new ATOM 0 HD11 ILE A 37 -5.882 0.104 5.981 1.00 10.00 H new ATOM 0 HD12 ILE A 37 -5.170 -0.846 4.655 1.00 10.00 H new ATOM 0 HD13 ILE A 37 -6.712 0.008 4.410 1.00 10.00 H new ATOM 545 N ALA A 38 -9.407 -4.465 3.022 1.00 10.00 N ATOM 546 CA ALA A 38 -9.884 -5.271 1.912 1.00 10.00 C ATOM 547 C ALA A 38 -9.009 -5.011 0.685 1.00 10.00 C ATOM 548 O ALA A 38 -9.302 -4.121 -0.113 1.00 10.00 O ATOM 549 CB ALA A 38 -11.360 -4.962 1.653 1.00 10.00 C ATOM 0 H ALA A 38 -9.912 -3.590 3.162 1.00 10.00 H new ATOM 0 HA ALA A 38 -9.811 -6.332 2.149 1.00 10.00 H new ATOM 0 HB1 ALA A 38 -11.718 -5.567 0.820 1.00 10.00 H new ATOM 0 HB2 ALA A 38 -11.942 -5.193 2.545 1.00 10.00 H new ATOM 0 HB3 ALA A 38 -11.473 -3.906 1.409 1.00 10.00 H new ATOM 555 N ILE A 39 -7.952 -5.802 0.571 1.00 10.00 N ATOM 556 CA ILE A 39 -7.033 -5.667 -0.546 1.00 10.00 C ATOM 557 C ILE A 39 -7.139 -6.904 -1.440 1.00 10.00 C ATOM 558 O ILE A 39 -7.210 -8.028 -0.946 1.00 10.00 O ATOM 559 CB ILE A 39 -5.615 -5.392 -0.042 1.00 10.00 C ATOM 560 CG1 ILE A 39 -5.545 -4.054 0.696 1.00 10.00 C ATOM 561 CG2 ILE A 39 -4.602 -5.469 -1.186 1.00 10.00 C ATOM 562 CD1 ILE A 39 -5.626 -2.882 -0.285 1.00 10.00 C ATOM 0 H ILE A 39 -7.712 -6.539 1.234 1.00 10.00 H new ATOM 0 HA ILE A 39 -7.301 -4.806 -1.159 1.00 10.00 H new ATOM 0 HB ILE A 39 -5.351 -6.169 0.675 1.00 10.00 H new ATOM 0 HG12 ILE A 39 -6.361 -3.988 1.415 1.00 10.00 H new ATOM 0 HG13 ILE A 39 -4.616 -3.995 1.263 1.00 10.00 H new ATOM 0 HG21 ILE A 39 -3.602 -5.270 -0.801 1.00 10.00 H new ATOM 0 HG22 ILE A 39 -4.628 -6.465 -1.629 1.00 10.00 H new ATOM 0 HG23 ILE A 39 -4.853 -4.728 -1.945 1.00 10.00 H new ATOM 0 HD11 ILE A 39 -5.574 -1.943 0.265 1.00 10.00 H new ATOM 0 HD12 ILE A 39 -4.794 -2.937 -0.988 1.00 10.00 H new ATOM 0 HD13 ILE A 39 -6.567 -2.930 -0.832 1.00 10.00 H new ATOM 574 N ASP A 40 -7.147 -6.655 -2.742 1.00 10.00 N ATOM 575 CA ASP A 40 -7.244 -7.734 -3.709 1.00 10.00 C ATOM 576 C ASP A 40 -7.268 -7.147 -5.122 1.00 10.00 C ATOM 577 O ASP A 40 -6.500 -7.566 -5.986 1.00 10.00 O ATOM 578 CB ASP A 40 -8.529 -8.539 -3.510 1.00 10.00 C ATOM 579 CG ASP A 40 -8.343 -10.057 -3.470 1.00 10.00 C ATOM 580 OD1 ASP A 40 -7.327 -10.489 -2.883 1.00 10.00 O ATOM 581 OD2 ASP A 40 -9.219 -10.752 -4.028 1.00 10.00 O ATOM 0 H ASP A 40 -7.088 -5.722 -3.149 1.00 10.00 H new ATOM 0 HA ASP A 40 -6.384 -8.389 -3.570 1.00 10.00 H new ATOM 0 HB2 ASP A 40 -8.998 -8.221 -2.579 1.00 10.00 H new ATOM 0 HB3 ASP A 40 -9.221 -8.294 -4.316 1.00 10.00 H new ATOM 586 N LYS A 41 -8.159 -6.184 -5.313 1.00 10.00 N ATOM 587 CA LYS A 41 -8.293 -5.534 -6.606 1.00 10.00 C ATOM 588 C LYS A 41 -9.421 -4.502 -6.538 1.00 10.00 C ATOM 589 O LYS A 41 -10.387 -4.583 -7.295 1.00 10.00 O ATOM 590 CB LYS A 41 -8.477 -6.575 -7.712 1.00 10.00 C ATOM 591 CG LYS A 41 -8.913 -5.913 -9.021 1.00 10.00 C ATOM 592 CD LYS A 41 -8.062 -6.403 -10.193 1.00 10.00 C ATOM 593 CE LYS A 41 -8.037 -5.370 -11.322 1.00 10.00 C ATOM 594 NZ LYS A 41 -8.516 -5.973 -12.586 1.00 10.00 N ATOM 0 H LYS A 41 -8.795 -5.839 -4.594 1.00 10.00 H new ATOM 0 HA LYS A 41 -7.381 -4.993 -6.858 1.00 10.00 H new ATOM 0 HB2 LYS A 41 -7.543 -7.115 -7.867 1.00 10.00 H new ATOM 0 HB3 LYS A 41 -9.222 -7.309 -7.405 1.00 10.00 H new ATOM 0 HG2 LYS A 41 -9.963 -6.134 -9.212 1.00 10.00 H new ATOM 0 HG3 LYS A 41 -8.826 -4.830 -8.932 1.00 10.00 H new ATOM 0 HD2 LYS A 41 -7.045 -6.599 -9.852 1.00 10.00 H new ATOM 0 HD3 LYS A 41 -8.460 -7.346 -10.567 1.00 10.00 H new ATOM 0 HE2 LYS A 41 -8.664 -4.518 -11.058 1.00 10.00 H new ATOM 0 HE3 LYS A 41 -7.024 -4.991 -11.454 1.00 10.00 H new ATOM 0 HZ1 LYS A 41 -8.493 -5.259 -13.342 1.00 10.00 H new ATOM 0 HZ2 LYS A 41 -7.901 -6.771 -12.845 1.00 10.00 H new ATOM 0 HZ3 LYS A 41 -9.491 -6.313 -12.461 1.00 10.00 H new ATOM 608 N LYS A 42 -9.261 -3.556 -5.624 1.00 10.00 N ATOM 609 CA LYS A 42 -10.254 -2.510 -5.448 1.00 10.00 C ATOM 610 C LYS A 42 -9.645 -1.367 -4.633 1.00 10.00 C ATOM 611 O LYS A 42 -9.300 -0.323 -5.184 1.00 10.00 O ATOM 612 CB LYS A 42 -11.535 -3.085 -4.840 1.00 10.00 C ATOM 613 CG LYS A 42 -12.587 -1.991 -4.644 1.00 10.00 C ATOM 614 CD LYS A 42 -13.698 -2.461 -3.704 1.00 10.00 C ATOM 615 CE LYS A 42 -15.048 -2.493 -4.423 1.00 10.00 C ATOM 616 NZ LYS A 42 -16.080 -3.109 -3.560 1.00 10.00 N ATOM 0 H LYS A 42 -8.459 -3.492 -4.998 1.00 10.00 H new ATOM 0 HA LYS A 42 -10.545 -2.094 -6.413 1.00 10.00 H new ATOM 0 HB2 LYS A 42 -11.932 -3.865 -5.490 1.00 10.00 H new ATOM 0 HB3 LYS A 42 -11.309 -3.553 -3.882 1.00 10.00 H new ATOM 0 HG2 LYS A 42 -12.115 -1.097 -4.237 1.00 10.00 H new ATOM 0 HG3 LYS A 42 -13.014 -1.715 -5.608 1.00 10.00 H new ATOM 0 HD2 LYS A 42 -13.461 -3.455 -3.323 1.00 10.00 H new ATOM 0 HD3 LYS A 42 -13.756 -1.795 -2.843 1.00 10.00 H new ATOM 0 HE2 LYS A 42 -15.348 -1.480 -4.692 1.00 10.00 H new ATOM 0 HE3 LYS A 42 -14.959 -3.056 -5.352 1.00 10.00 H new ATOM 0 HZ1 LYS A 42 -16.990 -3.123 -4.063 1.00 10.00 H new ATOM 0 HZ2 LYS A 42 -15.800 -4.082 -3.324 1.00 10.00 H new ATOM 0 HZ3 LYS A 42 -16.177 -2.555 -2.685 1.00 10.00 H new ATOM 630 N SER A 43 -9.531 -1.605 -3.335 1.00 10.00 N ATOM 631 CA SER A 43 -8.969 -0.608 -2.439 1.00 10.00 C ATOM 632 C SER A 43 -7.527 -0.292 -2.843 1.00 10.00 C ATOM 633 O SER A 43 -7.156 0.873 -2.973 1.00 10.00 O ATOM 634 CB SER A 43 -9.019 -1.083 -0.985 1.00 10.00 C ATOM 635 OG SER A 43 -9.756 -0.188 -0.157 1.00 10.00 O ATOM 0 H SER A 43 -9.818 -2.473 -2.882 1.00 10.00 H new ATOM 0 HA SER A 43 -9.569 0.298 -2.519 1.00 10.00 H new ATOM 0 HB2 SER A 43 -9.473 -2.073 -0.942 1.00 10.00 H new ATOM 0 HB3 SER A 43 -8.004 -1.180 -0.600 1.00 10.00 H new ATOM 0 HG SER A 43 -9.766 -0.527 0.763 1.00 10.00 H new ATOM 641 N ALA A 44 -6.754 -1.352 -3.034 1.00 10.00 N ATOM 642 CA ALA A 44 -5.362 -1.203 -3.422 1.00 10.00 C ATOM 643 C ALA A 44 -5.288 -0.514 -4.786 1.00 10.00 C ATOM 644 O ALA A 44 -4.223 -0.060 -5.199 1.00 10.00 O ATOM 645 CB ALA A 44 -4.683 -2.574 -3.423 1.00 10.00 C ATOM 0 H ALA A 44 -7.066 -2.317 -2.927 1.00 10.00 H new ATOM 0 HA ALA A 44 -4.829 -0.576 -2.707 1.00 10.00 H new ATOM 0 HB1 ALA A 44 -3.639 -2.463 -3.714 1.00 10.00 H new ATOM 0 HB2 ALA A 44 -4.737 -3.008 -2.424 1.00 10.00 H new ATOM 0 HB3 ALA A 44 -5.189 -3.230 -4.131 1.00 10.00 H new ATOM 651 N HIS A 45 -6.435 -0.459 -5.448 1.00 10.00 N ATOM 652 CA HIS A 45 -6.514 0.166 -6.757 1.00 10.00 C ATOM 653 C HIS A 45 -7.402 1.410 -6.679 1.00 10.00 C ATOM 654 O HIS A 45 -7.661 2.056 -7.693 1.00 10.00 O ATOM 655 CB HIS A 45 -6.988 -0.836 -7.811 1.00 10.00 C ATOM 656 CG HIS A 45 -5.872 -1.626 -8.453 1.00 10.00 C ATOM 657 ND1 HIS A 45 -6.009 -2.256 -9.678 1.00 10.00 N ATOM 658 CD2 HIS A 45 -4.601 -1.878 -8.030 1.00 10.00 C ATOM 659 CE1 HIS A 45 -4.866 -2.859 -9.968 1.00 10.00 C ATOM 660 NE2 HIS A 45 -3.995 -2.624 -8.945 1.00 10.00 N ATOM 0 H HIS A 45 -7.317 -0.837 -5.102 1.00 10.00 H new ATOM 0 HA HIS A 45 -5.521 0.490 -7.069 1.00 10.00 H new ATOM 0 HB2 HIS A 45 -7.691 -1.529 -7.349 1.00 10.00 H new ATOM 0 HB3 HIS A 45 -7.533 -0.300 -8.588 1.00 10.00 H new ATOM 0 HD1 HIS A 45 -6.848 -2.256 -10.259 1.00 10.00 H new ATOM 0 HD2 HIS A 45 -4.162 -1.530 -7.107 1.00 10.00 H new ATOM 0 HE1 HIS A 45 -4.660 -3.435 -10.858 1.00 10.00 H new ATOM 668 N LYS A 46 -7.846 1.706 -5.467 1.00 10.00 N ATOM 669 CA LYS A 46 -8.700 2.859 -5.244 1.00 10.00 C ATOM 670 C LYS A 46 -7.904 3.946 -4.517 1.00 10.00 C ATOM 671 O LYS A 46 -7.051 4.600 -5.116 1.00 10.00 O ATOM 672 CB LYS A 46 -9.980 2.445 -4.515 1.00 10.00 C ATOM 673 CG LYS A 46 -10.901 3.648 -4.298 1.00 10.00 C ATOM 674 CD LYS A 46 -11.845 3.410 -3.118 1.00 10.00 C ATOM 675 CE LYS A 46 -13.238 3.972 -3.407 1.00 10.00 C ATOM 676 NZ LYS A 46 -14.199 3.535 -2.370 1.00 10.00 N ATOM 0 H LYS A 46 -7.630 1.167 -4.629 1.00 10.00 H new ATOM 0 HA LYS A 46 -9.024 3.282 -6.195 1.00 10.00 H new ATOM 0 HB2 LYS A 46 -10.502 1.683 -5.093 1.00 10.00 H new ATOM 0 HB3 LYS A 46 -9.727 1.998 -3.554 1.00 10.00 H new ATOM 0 HG2 LYS A 46 -10.302 4.540 -4.115 1.00 10.00 H new ATOM 0 HG3 LYS A 46 -11.482 3.833 -5.201 1.00 10.00 H new ATOM 0 HD2 LYS A 46 -11.915 2.342 -2.914 1.00 10.00 H new ATOM 0 HD3 LYS A 46 -11.438 3.879 -2.222 1.00 10.00 H new ATOM 0 HE2 LYS A 46 -13.198 5.061 -3.438 1.00 10.00 H new ATOM 0 HE3 LYS A 46 -13.575 3.637 -4.388 1.00 10.00 H new ATOM 0 HZ1 LYS A 46 -15.139 3.925 -2.582 1.00 10.00 H new ATOM 0 HZ2 LYS A 46 -14.250 2.496 -2.359 1.00 10.00 H new ATOM 0 HZ3 LYS A 46 -13.884 3.876 -1.439 1.00 10.00 H new ATOM 690 N ASP A 47 -8.209 4.105 -3.238 1.00 10.00 N ATOM 691 CA ASP A 47 -7.533 5.100 -2.425 1.00 10.00 C ATOM 692 C ASP A 47 -6.616 4.396 -1.421 1.00 10.00 C ATOM 693 O ASP A 47 -5.719 5.017 -0.853 1.00 10.00 O ATOM 694 CB ASP A 47 -8.538 5.942 -1.636 1.00 10.00 C ATOM 695 CG ASP A 47 -8.912 7.277 -2.283 1.00 10.00 C ATOM 696 OD1 ASP A 47 -7.971 8.035 -2.603 1.00 10.00 O ATOM 697 OD2 ASP A 47 -10.130 7.509 -2.443 1.00 10.00 O ATOM 0 H ASP A 47 -8.916 3.560 -2.744 1.00 10.00 H new ATOM 0 HA ASP A 47 -6.963 5.748 -3.091 1.00 10.00 H new ATOM 0 HB2 ASP A 47 -9.447 5.357 -1.494 1.00 10.00 H new ATOM 0 HB3 ASP A 47 -8.127 6.138 -0.646 1.00 10.00 H new ATOM 702 N ALA A 48 -6.874 3.110 -1.236 1.00 10.00 N ATOM 703 CA ALA A 48 -6.083 2.314 -0.313 1.00 10.00 C ATOM 704 C ALA A 48 -4.597 2.576 -0.564 1.00 10.00 C ATOM 705 O ALA A 48 -3.867 2.960 0.350 1.00 10.00 O ATOM 706 CB ALA A 48 -6.449 0.837 -0.468 1.00 10.00 C ATOM 0 H ALA A 48 -7.619 2.599 -1.709 1.00 10.00 H new ATOM 0 HA ALA A 48 -6.298 2.596 0.718 1.00 10.00 H new ATOM 0 HB1 ALA A 48 -5.855 0.240 0.225 1.00 10.00 H new ATOM 0 HB2 ALA A 48 -7.508 0.700 -0.250 1.00 10.00 H new ATOM 0 HB3 ALA A 48 -6.245 0.517 -1.490 1.00 10.00 H new ATOM 712 N CYS A 49 -4.192 2.359 -1.806 1.00 10.00 N ATOM 713 CA CYS A 49 -2.806 2.566 -2.189 1.00 10.00 C ATOM 714 C CYS A 49 -2.686 3.952 -2.824 1.00 10.00 C ATOM 715 O CYS A 49 -2.057 4.846 -2.259 1.00 10.00 O ATOM 716 CB CYS A 49 -2.306 1.465 -3.125 1.00 10.00 C ATOM 717 SG CYS A 49 -1.240 0.207 -2.330 1.00 10.00 S ATOM 0 H CYS A 49 -4.800 2.042 -2.561 1.00 10.00 H new ATOM 0 HA CYS A 49 -2.171 2.515 -1.305 1.00 10.00 H new ATOM 0 HB2 CYS A 49 -3.167 0.964 -3.567 1.00 10.00 H new ATOM 0 HB3 CYS A 49 -1.752 1.926 -3.942 1.00 10.00 H new ATOM 722 N LYS A 50 -3.298 4.088 -3.991 1.00 10.00 N ATOM 723 CA LYS A 50 -3.267 5.351 -4.711 1.00 10.00 C ATOM 724 C LYS A 50 -3.783 6.465 -3.797 1.00 10.00 C ATOM 725 O LYS A 50 -4.982 6.735 -3.756 1.00 10.00 O ATOM 726 CB LYS A 50 -4.032 5.235 -6.030 1.00 10.00 C ATOM 727 CG LYS A 50 -3.230 4.437 -7.060 1.00 10.00 C ATOM 728 CD LYS A 50 -3.443 4.992 -8.470 1.00 10.00 C ATOM 729 CE LYS A 50 -4.846 4.661 -8.983 1.00 10.00 C ATOM 730 NZ LYS A 50 -4.773 3.714 -10.118 1.00 10.00 N ATOM 0 H LYS A 50 -3.819 3.345 -4.457 1.00 10.00 H new ATOM 0 HA LYS A 50 -2.244 5.609 -4.985 1.00 10.00 H new ATOM 0 HB2 LYS A 50 -4.992 4.750 -5.856 1.00 10.00 H new ATOM 0 HB3 LYS A 50 -4.244 6.230 -6.421 1.00 10.00 H new ATOM 0 HG2 LYS A 50 -2.170 4.472 -6.808 1.00 10.00 H new ATOM 0 HG3 LYS A 50 -3.531 3.390 -7.028 1.00 10.00 H new ATOM 0 HD2 LYS A 50 -3.299 6.072 -8.465 1.00 10.00 H new ATOM 0 HD3 LYS A 50 -2.697 4.574 -9.146 1.00 10.00 H new ATOM 0 HE2 LYS A 50 -5.441 4.229 -8.179 1.00 10.00 H new ATOM 0 HE3 LYS A 50 -5.350 5.575 -9.296 1.00 10.00 H new ATOM 0 HZ1 LYS A 50 -5.734 3.500 -10.454 1.00 10.00 H new ATOM 0 HZ2 LYS A 50 -4.223 4.140 -10.891 1.00 10.00 H new ATOM 0 HZ3 LYS A 50 -4.311 2.835 -9.808 1.00 10.00 H new ATOM 744 N THR A 51 -2.850 7.082 -3.086 1.00 10.00 N ATOM 745 CA THR A 51 -3.195 8.162 -2.176 1.00 10.00 C ATOM 746 C THR A 51 -1.931 8.767 -1.563 1.00 10.00 C ATOM 747 O THR A 51 -1.734 9.980 -1.608 1.00 10.00 O ATOM 748 CB THR A 51 -4.170 7.608 -1.134 1.00 10.00 C ATOM 749 OG1 THR A 51 -5.455 7.862 -1.694 1.00 10.00 O ATOM 750 CG2 THR A 51 -4.162 8.417 0.164 1.00 10.00 C ATOM 0 H THR A 51 -1.856 6.855 -3.122 1.00 10.00 H new ATOM 0 HA THR A 51 -3.687 8.980 -2.702 1.00 10.00 H new ATOM 0 HB THR A 51 -3.918 6.570 -0.915 1.00 10.00 H new ATOM 0 HG1 THR A 51 -5.422 7.725 -2.664 1.00 10.00 H new ATOM 0 HG21 THR A 51 -4.871 7.982 0.868 1.00 10.00 H new ATOM 0 HG22 THR A 51 -3.162 8.399 0.598 1.00 10.00 H new ATOM 0 HG23 THR A 51 -4.447 9.447 -0.048 1.00 10.00 H new ATOM 758 N CYS A 52 -1.106 7.893 -1.005 1.00 10.00 N ATOM 759 CA CYS A 52 0.135 8.326 -0.384 1.00 10.00 C ATOM 760 C CYS A 52 1.175 8.539 -1.485 1.00 10.00 C ATOM 761 O CYS A 52 1.732 9.628 -1.617 1.00 10.00 O ATOM 762 CB CYS A 52 0.617 7.330 0.673 1.00 10.00 C ATOM 763 SG CYS A 52 1.367 8.089 2.159 1.00 10.00 S ATOM 0 H CYS A 52 -1.272 6.887 -0.970 1.00 10.00 H new ATOM 0 HA CYS A 52 -0.029 9.265 0.145 1.00 10.00 H new ATOM 0 HB2 CYS A 52 -0.227 6.715 0.984 1.00 10.00 H new ATOM 0 HB3 CYS A 52 1.347 6.662 0.216 1.00 10.00 H new ATOM 0 HG CYS A 52 2.399 7.390 2.529 1.00 10.00 H new ATOM 768 N HIS A 53 1.407 7.481 -2.248 1.00 10.00 N ATOM 769 CA HIS A 53 2.370 7.538 -3.334 1.00 10.00 C ATOM 770 C HIS A 53 2.117 8.787 -4.179 1.00 10.00 C ATOM 771 O HIS A 53 2.978 9.661 -4.277 1.00 10.00 O ATOM 772 CB HIS A 53 2.339 6.248 -4.157 1.00 10.00 C ATOM 773 CG HIS A 53 2.791 5.024 -3.397 1.00 10.00 C ATOM 774 ND1 HIS A 53 3.249 3.879 -4.025 1.00 10.00 N ATOM 775 CD2 HIS A 53 2.850 4.778 -2.057 1.00 10.00 C ATOM 776 CE1 HIS A 53 3.566 2.990 -3.094 1.00 10.00 C ATOM 777 NE2 HIS A 53 3.318 3.550 -1.876 1.00 10.00 N ATOM 0 H HIS A 53 0.944 6.579 -2.135 1.00 10.00 H new ATOM 0 HA HIS A 53 3.378 7.616 -2.927 1.00 10.00 H new ATOM 0 HB2 HIS A 53 1.324 6.084 -4.519 1.00 10.00 H new ATOM 0 HB3 HIS A 53 2.974 6.373 -5.034 1.00 10.00 H new ATOM 0 HD1 HIS A 53 3.329 3.742 -5.033 1.00 10.00 H new ATOM 0 HD2 HIS A 53 2.564 5.466 -1.275 1.00 10.00 H new ATOM 0 HE1 HIS A 53 3.953 1.997 -3.270 1.00 10.00 H new ATOM 785 N LYS A 54 0.932 8.833 -4.770 1.00 10.00 N ATOM 786 CA LYS A 54 0.554 9.961 -5.605 1.00 10.00 C ATOM 787 C LYS A 54 0.271 11.174 -4.717 1.00 10.00 C ATOM 788 O LYS A 54 -0.836 11.711 -4.728 1.00 10.00 O ATOM 789 CB LYS A 54 -0.611 9.583 -6.521 1.00 10.00 C ATOM 790 CG LYS A 54 -1.789 9.036 -5.713 1.00 10.00 C ATOM 791 CD LYS A 54 -3.087 9.100 -6.520 1.00 10.00 C ATOM 792 CE LYS A 54 -4.252 9.576 -5.650 1.00 10.00 C ATOM 793 NZ LYS A 54 -5.544 9.251 -6.292 1.00 10.00 N ATOM 0 H LYS A 54 0.221 8.107 -4.687 1.00 10.00 H new ATOM 0 HA LYS A 54 1.374 10.236 -6.269 1.00 10.00 H new ATOM 0 HB2 LYS A 54 -0.930 10.457 -7.089 1.00 10.00 H new ATOM 0 HB3 LYS A 54 -0.283 8.836 -7.243 1.00 10.00 H new ATOM 0 HG2 LYS A 54 -1.588 8.005 -5.423 1.00 10.00 H new ATOM 0 HG3 LYS A 54 -1.900 9.610 -4.793 1.00 10.00 H new ATOM 0 HD2 LYS A 54 -2.960 9.776 -7.366 1.00 10.00 H new ATOM 0 HD3 LYS A 54 -3.313 8.116 -6.930 1.00 10.00 H new ATOM 0 HE2 LYS A 54 -4.198 9.104 -4.669 1.00 10.00 H new ATOM 0 HE3 LYS A 54 -4.179 10.652 -5.491 1.00 10.00 H new ATOM 0 HZ1 LYS A 54 -6.324 9.581 -5.689 1.00 10.00 H new ATOM 0 HZ2 LYS A 54 -5.600 9.721 -7.218 1.00 10.00 H new ATOM 0 HZ3 LYS A 54 -5.618 8.222 -6.422 1.00 10.00 H new ATOM 807 N SER A 55 1.288 11.571 -3.969 1.00 10.00 N ATOM 808 CA SER A 55 1.163 12.711 -3.077 1.00 10.00 C ATOM 809 C SER A 55 2.515 13.411 -2.928 1.00 10.00 C ATOM 810 O SER A 55 2.599 14.634 -3.030 1.00 10.00 O ATOM 811 CB SER A 55 0.634 12.283 -1.707 1.00 10.00 C ATOM 812 OG SER A 55 -0.048 13.343 -1.042 1.00 10.00 O ATOM 0 H SER A 55 2.204 11.123 -3.962 1.00 10.00 H new ATOM 0 HA SER A 55 0.447 13.408 -3.512 1.00 10.00 H new ATOM 0 HB2 SER A 55 -0.042 11.437 -1.828 1.00 10.00 H new ATOM 0 HB3 SER A 55 1.464 11.942 -1.088 1.00 10.00 H new ATOM 0 HG SER A 55 -0.372 13.029 -0.172 1.00 10.00 H new ATOM 818 N ASN A 56 3.540 12.605 -2.689 1.00 10.00 N ATOM 819 CA ASN A 56 4.884 13.133 -2.526 1.00 10.00 C ATOM 820 C ASN A 56 5.769 12.623 -3.663 1.00 10.00 C ATOM 821 O ASN A 56 6.185 13.396 -4.526 1.00 10.00 O ATOM 822 CB ASN A 56 5.499 12.670 -1.203 1.00 10.00 C ATOM 823 CG ASN A 56 6.091 13.850 -0.431 1.00 10.00 C ATOM 824 OD1 ASN A 56 6.466 14.867 -0.991 1.00 10.00 O ATOM 825 ND2 ASN A 56 6.153 13.659 0.884 1.00 10.00 N ATOM 0 H ASN A 56 3.467 11.591 -2.604 1.00 10.00 H new ATOM 0 HA ASN A 56 4.823 14.221 -2.535 1.00 10.00 H new ATOM 0 HB2 ASN A 56 4.738 12.179 -0.596 1.00 10.00 H new ATOM 0 HB3 ASN A 56 6.277 11.932 -1.398 1.00 10.00 H new ATOM 0 HD21 ASN A 56 6.532 14.388 1.488 1.00 10.00 H new ATOM 0 HD22 ASN A 56 5.822 12.783 1.288 1.00 10.00 H new ATOM 832 N ASN A 57 6.032 11.324 -3.631 1.00 10.00 N ATOM 833 CA ASN A 57 6.861 10.702 -4.649 1.00 10.00 C ATOM 834 C ASN A 57 6.926 9.194 -4.396 1.00 10.00 C ATOM 835 O ASN A 57 7.202 8.761 -3.279 1.00 10.00 O ATOM 836 CB ASN A 57 8.288 11.251 -4.608 1.00 10.00 C ATOM 837 CG ASN A 57 8.926 11.018 -3.237 1.00 10.00 C ATOM 838 OD1 ASN A 57 8.464 11.506 -2.218 1.00 10.00 O ATOM 839 ND2 ASN A 57 10.010 10.249 -3.268 1.00 10.00 N ATOM 0 H ASN A 57 5.685 10.685 -2.915 1.00 10.00 H new ATOM 0 HA ASN A 57 6.420 10.918 -5.622 1.00 10.00 H new ATOM 0 HB2 ASN A 57 8.889 10.769 -5.379 1.00 10.00 H new ATOM 0 HB3 ASN A 57 8.278 12.318 -4.832 1.00 10.00 H new ATOM 0 HD21 ASN A 57 10.509 10.035 -2.404 1.00 10.00 H new ATOM 0 HD22 ASN A 57 10.343 9.873 -4.156 1.00 10.00 H new ATOM 846 N GLY A 58 6.667 8.438 -5.452 1.00 10.00 N ATOM 847 CA GLY A 58 6.693 6.988 -5.358 1.00 10.00 C ATOM 848 C GLY A 58 5.964 6.349 -6.542 1.00 10.00 C ATOM 849 O GLY A 58 5.644 7.025 -7.517 1.00 10.00 O ATOM 0 H GLY A 58 6.438 8.802 -6.377 1.00 10.00 H new ATOM 0 HA2 GLY A 58 7.726 6.640 -5.331 1.00 10.00 H new ATOM 0 HA3 GLY A 58 6.226 6.672 -4.425 1.00 10.00 H new ATOM 853 N PRO A 59 5.715 5.018 -6.413 1.00 10.00 N ATOM 854 CA PRO A 59 5.028 4.280 -7.459 1.00 10.00 C ATOM 855 C PRO A 59 3.532 4.595 -7.461 1.00 10.00 C ATOM 856 O PRO A 59 2.862 4.449 -6.441 1.00 10.00 O ATOM 857 CB PRO A 59 5.327 2.818 -7.170 1.00 10.00 C ATOM 858 CG PRO A 59 5.777 2.763 -5.719 1.00 10.00 C ATOM 859 CD PRO A 59 6.078 4.184 -5.271 1.00 10.00 C ATOM 0 HA PRO A 59 5.368 4.552 -8.458 1.00 10.00 H new ATOM 0 HB2 PRO A 59 4.443 2.200 -7.328 1.00 10.00 H new ATOM 0 HB3 PRO A 59 6.104 2.440 -7.834 1.00 10.00 H new ATOM 0 HG2 PRO A 59 5.000 2.322 -5.095 1.00 10.00 H new ATOM 0 HG3 PRO A 59 6.662 2.135 -5.617 1.00 10.00 H new ATOM 0 HD2 PRO A 59 5.500 4.451 -4.386 1.00 10.00 H new ATOM 0 HD3 PRO A 59 7.130 4.303 -5.012 1.00 10.00 H new ATOM 867 N THR A 60 3.051 5.022 -8.620 1.00 10.00 N ATOM 868 CA THR A 60 1.645 5.359 -8.769 1.00 10.00 C ATOM 869 C THR A 60 1.322 5.662 -10.232 1.00 10.00 C ATOM 870 O THR A 60 0.653 6.650 -10.532 1.00 10.00 O ATOM 871 CB THR A 60 1.335 6.521 -7.825 1.00 10.00 C ATOM 872 OG1 THR A 60 -0.034 6.821 -8.080 1.00 10.00 O ATOM 873 CG2 THR A 60 2.076 7.804 -8.211 1.00 10.00 C ATOM 0 H THR A 60 3.610 5.142 -9.465 1.00 10.00 H new ATOM 0 HA THR A 60 1.006 4.520 -8.495 1.00 10.00 H new ATOM 0 HB THR A 60 1.602 6.241 -6.806 1.00 10.00 H new ATOM 0 HG1 THR A 60 -0.150 7.037 -9.029 1.00 10.00 H new ATOM 0 HG21 THR A 60 1.820 8.597 -7.509 1.00 10.00 H new ATOM 0 HG22 THR A 60 3.151 7.626 -8.182 1.00 10.00 H new ATOM 0 HG23 THR A 60 1.785 8.103 -9.218 1.00 10.00 H new ATOM 881 N LYS A 61 1.811 4.794 -11.106 1.00 10.00 N ATOM 882 CA LYS A 61 1.582 4.957 -12.532 1.00 10.00 C ATOM 883 C LYS A 61 1.680 3.593 -13.218 1.00 10.00 C ATOM 884 O LYS A 61 2.091 3.505 -14.375 1.00 10.00 O ATOM 885 CB LYS A 61 2.532 6.007 -13.111 1.00 10.00 C ATOM 886 CG LYS A 61 3.990 5.558 -12.980 1.00 10.00 C ATOM 887 CD LYS A 61 4.946 6.727 -13.221 1.00 10.00 C ATOM 888 CE LYS A 61 5.482 6.711 -14.654 1.00 10.00 C ATOM 889 NZ LYS A 61 6.410 7.842 -14.875 1.00 10.00 N ATOM 0 H LYS A 61 2.365 3.975 -10.854 1.00 10.00 H new ATOM 0 HA LYS A 61 0.577 5.336 -12.716 1.00 10.00 H new ATOM 0 HB2 LYS A 61 2.294 6.179 -14.161 1.00 10.00 H new ATOM 0 HB3 LYS A 61 2.392 6.955 -12.592 1.00 10.00 H new ATOM 0 HG2 LYS A 61 4.159 5.144 -11.986 1.00 10.00 H new ATOM 0 HG3 LYS A 61 4.195 4.762 -13.696 1.00 10.00 H new ATOM 0 HD2 LYS A 61 4.430 7.668 -13.033 1.00 10.00 H new ATOM 0 HD3 LYS A 61 5.777 6.673 -12.518 1.00 10.00 H new ATOM 0 HE2 LYS A 61 5.996 5.769 -14.845 1.00 10.00 H new ATOM 0 HE3 LYS A 61 4.653 6.771 -15.359 1.00 10.00 H new ATOM 0 HZ1 LYS A 61 6.764 7.815 -15.853 1.00 10.00 H new ATOM 0 HZ2 LYS A 61 5.909 8.739 -14.713 1.00 10.00 H new ATOM 0 HZ3 LYS A 61 7.210 7.768 -14.215 1.00 10.00 H new ATOM 903 N CYS A 62 1.296 2.564 -12.478 1.00 10.00 N ATOM 904 CA CYS A 62 1.336 1.209 -13.001 1.00 10.00 C ATOM 905 C CYS A 62 2.767 0.685 -12.870 1.00 10.00 C ATOM 906 O CYS A 62 3.038 -0.196 -12.056 1.00 10.00 O ATOM 907 CB CYS A 62 0.834 1.146 -14.445 1.00 10.00 C ATOM 908 SG CYS A 62 0.163 -0.479 -14.953 1.00 10.00 S ATOM 0 H CYS A 62 0.955 2.641 -11.520 1.00 10.00 H new ATOM 0 HA CYS A 62 0.664 0.573 -12.424 1.00 10.00 H new ATOM 0 HB2 CYS A 62 0.060 1.901 -14.579 1.00 10.00 H new ATOM 0 HB3 CYS A 62 1.655 1.409 -15.112 1.00 10.00 H new ATOM 0 HG CYS A 62 0.737 -1.420 -14.264 1.00 10.00 H new ATOM 913 N GLY A 63 3.646 1.250 -13.685 1.00 10.00 N ATOM 914 CA GLY A 63 5.043 0.851 -13.671 1.00 10.00 C ATOM 915 C GLY A 63 5.729 1.300 -12.378 1.00 10.00 C ATOM 916 O GLY A 63 6.711 2.037 -12.416 1.00 10.00 O ATOM 0 H GLY A 63 3.418 1.981 -14.359 1.00 10.00 H new ATOM 0 HA2 GLY A 63 5.117 -0.232 -13.769 1.00 10.00 H new ATOM 0 HA3 GLY A 63 5.557 1.284 -14.529 1.00 10.00 H new ATOM 920 N GLY A 64 5.182 0.834 -11.265 1.00 10.00 N ATOM 921 CA GLY A 64 5.728 1.177 -9.962 1.00 10.00 C ATOM 922 C GLY A 64 5.699 -0.028 -9.020 1.00 10.00 C ATOM 923 O GLY A 64 6.685 -0.756 -8.907 1.00 10.00 O ATOM 0 H GLY A 64 4.367 0.222 -11.238 1.00 10.00 H new ATOM 0 HA2 GLY A 64 6.753 1.530 -10.075 1.00 10.00 H new ATOM 0 HA3 GLY A 64 5.155 1.996 -9.528 1.00 10.00 H new ATOM 927 N CYS A 65 4.559 -0.202 -8.369 1.00 10.00 N ATOM 928 CA CYS A 65 4.389 -1.308 -7.441 1.00 10.00 C ATOM 929 C CYS A 65 4.532 -2.616 -8.220 1.00 10.00 C ATOM 930 O CYS A 65 5.303 -3.492 -7.831 1.00 10.00 O ATOM 931 CB CYS A 65 3.050 -1.226 -6.704 1.00 10.00 C ATOM 932 SG CYS A 65 2.617 0.440 -6.081 1.00 10.00 S ATOM 0 H CYS A 65 3.744 0.404 -8.465 1.00 10.00 H new ATOM 0 HA CYS A 65 5.158 -1.261 -6.670 1.00 10.00 H new ATOM 0 HB2 CYS A 65 2.261 -1.564 -7.375 1.00 10.00 H new ATOM 0 HB3 CYS A 65 3.071 -1.919 -5.863 1.00 10.00 H new ATOM 0 HG CYS A 65 2.789 0.480 -4.793 1.00 10.00 H new ATOM 937 N HIS A 66 3.777 -2.707 -9.305 1.00 10.00 N ATOM 938 CA HIS A 66 3.811 -3.894 -10.143 1.00 10.00 C ATOM 939 C HIS A 66 5.191 -4.026 -10.792 1.00 10.00 C ATOM 940 O HIS A 66 5.791 -3.029 -11.188 1.00 10.00 O ATOM 941 CB HIS A 66 2.674 -3.870 -11.166 1.00 10.00 C ATOM 942 CG HIS A 66 1.385 -4.478 -10.666 1.00 10.00 C ATOM 943 ND1 HIS A 66 0.778 -5.557 -11.282 1.00 10.00 N ATOM 944 CD2 HIS A 66 0.597 -4.146 -9.604 1.00 10.00 C ATOM 945 CE1 HIS A 66 -0.327 -5.853 -10.613 1.00 10.00 C ATOM 946 NE2 HIS A 66 -0.437 -4.978 -9.574 1.00 10.00 N ATOM 0 H HIS A 66 3.138 -1.978 -9.623 1.00 10.00 H new ATOM 0 HA HIS A 66 3.651 -4.781 -9.530 1.00 10.00 H new ATOM 0 HB2 HIS A 66 2.486 -2.838 -11.461 1.00 10.00 H new ATOM 0 HB3 HIS A 66 2.993 -4.404 -12.061 1.00 10.00 H new ATOM 0 HD1 HIS A 66 1.122 -6.042 -12.110 1.00 10.00 H new ATOM 0 HD2 HIS A 66 0.782 -3.343 -8.906 1.00 10.00 H new ATOM 0 HE1 HIS A 66 -1.019 -6.648 -10.850 1.00 10.00 H new ATOM 954 N ILE A 67 5.652 -5.264 -10.880 1.00 10.00 N ATOM 955 CA ILE A 67 6.950 -5.540 -11.474 1.00 10.00 C ATOM 956 C ILE A 67 6.795 -6.617 -12.549 1.00 10.00 C ATOM 957 O ILE A 67 6.531 -7.777 -12.236 1.00 10.00 O ATOM 958 CB ILE A 67 7.971 -5.892 -10.391 1.00 10.00 C ATOM 959 CG1 ILE A 67 8.014 -4.814 -9.306 1.00 10.00 C ATOM 960 CG2 ILE A 67 9.351 -6.146 -11.001 1.00 10.00 C ATOM 961 CD1 ILE A 67 9.015 -3.714 -9.664 1.00 10.00 C ATOM 0 H ILE A 67 5.150 -6.088 -10.550 1.00 10.00 H new ATOM 0 HA ILE A 67 7.340 -4.650 -11.969 1.00 10.00 H new ATOM 0 HB ILE A 67 7.655 -6.818 -9.912 1.00 10.00 H new ATOM 0 HG12 ILE A 67 7.022 -4.381 -9.180 1.00 10.00 H new ATOM 0 HG13 ILE A 67 8.289 -5.264 -8.352 1.00 10.00 H new ATOM 0 HG21 ILE A 67 10.058 -6.394 -10.210 1.00 10.00 H new ATOM 0 HG22 ILE A 67 9.290 -6.975 -11.706 1.00 10.00 H new ATOM 0 HG23 ILE A 67 9.689 -5.250 -11.522 1.00 10.00 H new ATOM 0 HD11 ILE A 67 9.025 -2.961 -8.876 1.00 10.00 H new ATOM 0 HD12 ILE A 67 10.010 -4.147 -9.766 1.00 10.00 H new ATOM 0 HD13 ILE A 67 8.724 -3.249 -10.606 1.00 10.00 H new ATOM 973 N LYS A 68 6.968 -6.196 -13.793 1.00 10.00 N ATOM 974 CA LYS A 68 6.852 -7.113 -14.915 1.00 10.00 C ATOM 975 C LYS A 68 8.141 -7.926 -15.040 1.00 10.00 C ATOM 976 O LYS A 68 8.540 -8.611 -14.099 1.00 10.00 O ATOM 977 CB LYS A 68 6.479 -6.353 -16.190 1.00 10.00 C ATOM 978 CG LYS A 68 7.637 -5.470 -16.661 1.00 10.00 C ATOM 979 CD LYS A 68 7.120 -4.242 -17.413 1.00 10.00 C ATOM 980 CE LYS A 68 7.414 -4.353 -18.910 1.00 10.00 C ATOM 981 NZ LYS A 68 7.530 -3.008 -19.517 1.00 10.00 N ATOM 0 H LYS A 68 7.187 -5.233 -14.049 1.00 10.00 H new ATOM 0 HA LYS A 68 6.043 -7.823 -14.745 1.00 10.00 H new ATOM 0 HB2 LYS A 68 6.214 -7.061 -16.975 1.00 10.00 H new ATOM 0 HB3 LYS A 68 5.599 -5.737 -16.006 1.00 10.00 H new ATOM 0 HG2 LYS A 68 8.229 -5.152 -15.803 1.00 10.00 H new ATOM 0 HG3 LYS A 68 8.298 -6.046 -17.309 1.00 10.00 H new ATOM 0 HD2 LYS A 68 6.046 -4.140 -17.256 1.00 10.00 H new ATOM 0 HD3 LYS A 68 7.587 -3.342 -17.013 1.00 10.00 H new ATOM 0 HE2 LYS A 68 8.339 -4.909 -19.065 1.00 10.00 H new ATOM 0 HE3 LYS A 68 6.619 -4.913 -19.402 1.00 10.00 H new ATOM 0 HZ1 LYS A 68 7.730 -3.102 -20.533 1.00 10.00 H new ATOM 0 HZ2 LYS A 68 6.638 -2.490 -19.386 1.00 10.00 H new ATOM 0 HZ3 LYS A 68 8.304 -2.486 -19.059 1.00 10.00 H new TER 995 LYS A 68 HETATM 996 CR CR A 188 -7.049 1.993 -12.642 1.00 10.00 CR HETATM 997 FE HEC A 98 -1.221 -2.080 8.727 1.00 10.00 FE HETATM 998 CHA HEC A 98 -3.230 -4.733 8.043 1.00 10.00 C HETATM 999 CHB HEC A 98 -1.627 -2.682 12.044 1.00 10.00 C HETATM 1000 CHC HEC A 98 1.158 0.194 9.354 1.00 10.00 C HETATM 1001 CHD HEC A 98 -1.339 -1.146 5.545 1.00 10.00 C HETATM 1002 NA HEC A 98 -2.224 -3.419 9.767 1.00 10.00 N HETATM 1003 C1A HEC A 98 -3.007 -4.439 9.381 1.00 10.00 C HETATM 1004 C2A HEC A 98 -3.312 -5.371 10.494 1.00 10.00 C HETATM 1005 C3A HEC A 98 -2.873 -4.753 11.591 1.00 10.00 C HETATM 1006 C4A HEC A 98 -2.181 -3.594 11.237 1.00 10.00 C HETATM 1007 CMA HEC A 98 -2.980 -5.314 13.061 1.00 10.00 C HETATM 1008 CAA HEC A 98 -4.168 -6.589 10.295 1.00 10.00 C HETATM 1009 CBA HEC A 98 -3.402 -7.612 9.397 1.00 10.00 C HETATM 1010 CGA HEC A 98 -2.867 -8.877 10.052 1.00 10.00 C HETATM 1011 O1A HEC A 98 -3.361 -9.108 11.162 1.00 10.00 O HETATM 1012 O2A HEC A 98 -2.021 -9.587 9.467 1.00 10.00 O HETATM 1013 NB HEC A 98 -0.383 -1.357 10.395 1.00 10.00 N HETATM 1014 C1B HEC A 98 -0.850 -1.590 11.683 1.00 10.00 C HETATM 1015 C2B HEC A 98 -0.009 -0.775 12.557 1.00 10.00 C HETATM 1016 C3B HEC A 98 0.835 0.000 11.832 1.00 10.00 C HETATM 1017 C4B HEC A 98 0.520 -0.365 10.478 1.00 10.00 C HETATM 1018 CMB HEC A 98 -0.239 -0.743 14.112 1.00 10.00 C HETATM 1019 CAB HEC A 98 1.826 1.059 12.238 1.00 10.00 C HETATM 1020 CBB HEC A 98 3.140 0.504 12.813 1.00 10.00 C HETATM 1021 NC HEC A 98 -0.284 -0.731 7.607 1.00 10.00 N HETATM 1022 C1C HEC A 98 0.690 0.150 7.971 1.00 10.00 C HETATM 1023 C2C HEC A 98 1.133 1.071 6.999 1.00 10.00 C HETATM 1024 C3C HEC A 98 0.460 0.662 5.904 1.00 10.00 C HETATM 1025 C4C HEC A 98 -0.480 -0.390 6.289 1.00 10.00 C HETATM 1026 CMC HEC A 98 2.165 2.151 7.112 1.00 10.00 C HETATM 1027 CAC HEC A 98 0.294 1.322 4.499 1.00 10.00 C HETATM 1028 CBC HEC A 98 0.740 0.376 3.363 1.00 10.00 C HETATM 1029 ND HEC A 98 -2.122 -2.790 7.084 1.00 10.00 N HETATM 1030 C1D HEC A 98 -2.056 -2.254 5.804 1.00 10.00 C HETATM 1031 C2D HEC A 98 -2.799 -3.034 4.927 1.00 10.00 C HETATM 1032 C3D HEC A 98 -3.308 -4.066 5.618 1.00 10.00 C HETATM 1033 C4D HEC A 98 -2.812 -3.956 6.987 1.00 10.00 C HETATM 1034 CMD HEC A 98 -2.942 -2.803 3.354 1.00 10.00 C HETATM 1035 CAD HEC A 98 -4.087 -5.259 5.007 1.00 10.00 C HETATM 1036 CBD HEC A 98 -3.177 -6.315 4.423 1.00 10.00 C HETATM 1037 CGD HEC A 98 -3.776 -7.326 3.464 1.00 10.00 C HETATM 1038 O1D HEC A 98 -4.082 -6.913 2.313 1.00 10.00 O HETATM 1039 O2D HEC A 98 -4.057 -8.431 3.981 1.00 10.00 O HETATM 0 HMD3 HEC A 98 -3.378 -1.821 3.169 1.00 10.00 H new HETATM 0 HMD2 HEC A 98 -1.958 -2.857 2.887 1.00 10.00 H new HETATM 0 HMD1 HEC A 98 -3.587 -3.572 2.930 1.00 10.00 H new HETATM 0 HMC3 HEC A 98 1.869 2.858 7.887 1.00 10.00 H new HETATM 0 HMC2 HEC A 98 3.127 1.709 7.372 1.00 10.00 H new HETATM 0 HMC1 HEC A 98 2.251 2.673 6.159 1.00 10.00 H new HETATM 0 HMB3 HEC A 98 -1.245 -0.381 14.324 1.00 10.00 H new HETATM 0 HMB2 HEC A 98 -0.122 -1.748 14.518 1.00 10.00 H new HETATM 0 HMB1 HEC A 98 0.491 -0.078 14.574 1.00 10.00 H new HETATM 0 HMA3 HEC A 98 -4.028 -5.470 13.316 1.00 10.00 H new HETATM 0 HMA2 HEC A 98 -2.446 -6.262 13.129 1.00 10.00 H new HETATM 0 HMA1 HEC A 98 -2.540 -4.599 13.756 1.00 10.00 H new HETATM 0 HBD2 HEC A 98 -2.365 -5.805 3.905 1.00 10.00 H new HETATM 0 HBD1 HEC A 98 -2.731 -6.865 5.251 1.00 10.00 H new HETATM 0 HBC3 HEC A 98 1.790 0.117 3.497 1.00 10.00 H new HETATM 0 HBC2 HEC A 98 0.137 -0.531 3.387 1.00 10.00 H new HETATM 0 HBC1 HEC A 98 0.608 0.874 2.402 1.00 10.00 H new HETATM 0 HBB3 HEC A 98 2.926 -0.091 13.701 1.00 10.00 H new HETATM 0 HBB2 HEC A 98 3.628 -0.122 12.066 1.00 10.00 H new HETATM 0 HBB1 HEC A 98 3.798 1.331 13.080 1.00 10.00 H new HETATM 0 HBA2 HEC A 98 -4.069 -7.911 8.588 1.00 10.00 H new HETATM 0 HBA1 HEC A 98 -2.561 -7.091 8.940 1.00 10.00 H new HETATM 0 HAD2 HEC A 98 -4.713 -5.711 5.777 1.00 10.00 H new HETATM 0 HAD1 HEC A 98 -4.755 -4.890 4.228 1.00 10.00 H new HETATM 0 HAA2 HEC A 98 -4.409 -7.040 11.257 1.00 10.00 H new HETATM 0 HAA1 HEC A 98 -5.113 -6.312 9.827 1.00 10.00 H new HETATM 0 HHD HEC A 98 -1.472 -0.774 4.529 1.00 10.00 H new HETATM 0 HHC HEC A 98 2.099 0.714 9.535 1.00 10.00 H new HETATM 0 HHB HEC A 98 -1.807 -2.812 13.111 1.00 10.00 H new HETATM 0 HHA HEC A 98 -3.777 -5.647 7.812 1.00 10.00 H new HETATM 0 HAC HEC A 98 -0.090 2.329 4.339 1.00 10.00 H new HETATM 0 H2D HEC A 98 -4.576 -8.967 3.345 1.00 10.00 H new HETATM 0 H2A HEC A 98 -1.627 -10.218 10.104 1.00 10.00 H new HETATM 1072 FE HEC A 128 4.302 2.322 -0.336 1.00 10.00 FE HETATM 1073 CHA HEC A 128 7.620 2.876 -0.808 1.00 10.00 C HETATM 1074 CHB HEC A 128 4.451 -0.223 -2.579 1.00 10.00 C HETATM 1075 CHC HEC A 128 1.181 1.473 0.533 1.00 10.00 C HETATM 1076 CHD HEC A 128 4.047 5.165 1.356 1.00 10.00 C HETATM 1077 NA HEC A 128 5.740 1.541 -1.433 1.00 10.00 N HETATM 1078 C1A HEC A 128 7.041 1.852 -1.545 1.00 10.00 C HETATM 1079 C2A HEC A 128 7.813 0.808 -2.259 1.00 10.00 C HETATM 1080 C3A HEC A 128 6.895 -0.021 -2.757 1.00 10.00 C HETATM 1081 C4A HEC A 128 5.632 0.331 -2.282 1.00 10.00 C HETATM 1082 CMA HEC A 128 7.194 -1.299 -3.631 1.00 10.00 C HETATM 1083 CAA HEC A 128 9.290 0.940 -2.498 1.00 10.00 C HETATM 1084 CBA HEC A 128 9.538 2.060 -3.560 1.00 10.00 C HETATM 1085 CGA HEC A 128 10.129 1.654 -4.901 1.00 10.00 C HETATM 1086 O1A HEC A 128 11.120 2.316 -5.229 1.00 10.00 O HETATM 1087 O2A HEC A 128 9.626 0.719 -5.561 1.00 10.00 O HETATM 1088 NB HEC A 128 3.028 0.890 -0.918 1.00 10.00 N HETATM 1089 C1B HEC A 128 3.213 0.064 -2.020 1.00 10.00 C HETATM 1090 C2B HEC A 128 1.991 -0.728 -2.123 1.00 10.00 C HETATM 1091 C3B HEC A 128 1.070 -0.321 -1.215 1.00 10.00 C HETATM 1092 C4B HEC A 128 1.755 0.736 -0.520 1.00 10.00 C HETATM 1093 CMB HEC A 128 1.795 -1.780 -3.276 1.00 10.00 C HETATM 1094 CAB HEC A 128 -0.354 -0.742 -0.968 1.00 10.00 C HETATM 1095 CBB HEC A 128 -0.513 -1.832 0.104 1.00 10.00 C HETATM 1096 NC HEC A 128 2.894 3.202 0.760 1.00 10.00 N HETATM 1097 C1C HEC A 128 1.644 2.754 1.060 1.00 10.00 C HETATM 1098 C2C HEC A 128 0.801 3.615 1.790 1.00 10.00 C HETATM 1099 C3C HEC A 128 1.628 4.645 2.065 1.00 10.00 C HETATM 1100 C4C HEC A 128 2.891 4.439 1.361 1.00 10.00 C HETATM 1101 CMC HEC A 128 -0.611 3.404 2.246 1.00 10.00 C HETATM 1102 CAC HEC A 128 1.341 6.054 2.671 1.00 10.00 C HETATM 1103 CBC HEC A 128 0.063 6.056 3.539 1.00 10.00 C HETATM 1104 ND HEC A 128 5.585 3.772 0.181 1.00 10.00 N HETATM 1105 C1D HEC A 128 5.292 4.918 0.910 1.00 10.00 C HETATM 1106 C2D HEC A 128 6.444 5.675 1.080 1.00 10.00 C HETATM 1107 C3D HEC A 128 7.464 5.019 0.501 1.00 10.00 C HETATM 1108 C4D HEC A 128 6.930 3.759 -0.011 1.00 10.00 C HETATM 1109 CMD HEC A 128 6.561 7.036 1.906 1.00 10.00 C HETATM 1110 CAD HEC A 128 8.954 5.435 0.572 1.00 10.00 C HETATM 1111 CBD HEC A 128 9.769 4.542 1.478 1.00 10.00 C HETATM 1112 CGD HEC A 128 11.282 4.633 1.403 1.00 10.00 C HETATM 1113 O1D HEC A 128 11.773 5.140 0.360 1.00 10.00 O HETATM 1114 O2D HEC A 128 11.885 4.037 2.324 1.00 10.00 O HETATM 0 HMD3 HEC A 128 5.892 7.781 1.476 1.00 10.00 H new HETATM 0 HMD2 HEC A 128 6.284 6.856 2.945 1.00 10.00 H new HETATM 0 HMD1 HEC A 128 7.587 7.401 1.863 1.00 10.00 H new HETATM 0 HMC3 HEC A 128 -1.252 3.239 1.380 1.00 10.00 H new HETATM 0 HMC2 HEC A 128 -0.656 2.534 2.901 1.00 10.00 H new HETATM 0 HMC1 HEC A 128 -0.953 4.285 2.789 1.00 10.00 H new HETATM 0 HMB3 HEC A 128 1.849 -1.276 -4.241 1.00 10.00 H new HETATM 0 HMB2 HEC A 128 2.579 -2.535 -3.216 1.00 10.00 H new HETATM 0 HMB1 HEC A 128 0.821 -2.258 -3.170 1.00 10.00 H new HETATM 0 HMA3 HEC A 128 7.721 -1.004 -4.538 1.00 10.00 H new HETATM 0 HMA2 HEC A 128 7.812 -1.993 -3.061 1.00 10.00 H new HETATM 0 HMA1 HEC A 128 6.256 -1.785 -3.898 1.00 10.00 H new HETATM 0 HBD2 HEC A 128 9.473 4.752 2.506 1.00 10.00 H new HETATM 0 HBD1 HEC A 128 9.487 3.510 1.270 1.00 10.00 H new HETATM 0 HBC3 HEC A 128 -0.792 5.766 2.928 1.00 10.00 H new HETATM 0 HBC2 HEC A 128 0.179 5.348 4.360 1.00 10.00 H new HETATM 0 HBC1 HEC A 128 -0.101 7.055 3.942 1.00 10.00 H new HETATM 0 HBB3 HEC A 128 0.035 -2.724 -0.200 1.00 10.00 H new HETATM 0 HBB2 HEC A 128 -0.118 -1.469 1.053 1.00 10.00 H new HETATM 0 HBB1 HEC A 128 -1.569 -2.077 0.220 1.00 10.00 H new HETATM 0 HBA2 HEC A 128 8.586 2.556 -3.751 1.00 10.00 H new HETATM 0 HBA1 HEC A 128 10.200 2.802 -3.114 1.00 10.00 H new HETATM 0 HAD2 HEC A 128 9.381 5.414 -0.431 1.00 10.00 H new HETATM 0 HAD1 HEC A 128 9.023 6.464 0.926 1.00 10.00 H new HETATM 0 HAA2 HEC A 128 9.801 1.185 -1.567 1.00 10.00 H new HETATM 0 HAA1 HEC A 128 9.701 -0.007 -2.848 1.00 10.00 H new HETATM 0 HHD HEC A 128 3.939 6.151 1.808 1.00 10.00 H new HETATM 0 HHC HEC A 128 0.298 1.042 1.005 1.00 10.00 H new HETATM 0 HHB HEC A 128 4.462 -0.991 -3.352 1.00 10.00 H new HETATM 0 HHA HEC A 128 8.703 2.989 -0.865 1.00 10.00 H new HETATM 0 HAC HEC A 128 1.966 6.931 2.502 1.00 10.00 H new HETATM 0 H2D HEC A 128 12.844 4.009 2.123 1.00 10.00 H new HETATM 0 H2A HEC A 128 9.975 0.740 -6.477 1.00 10.00 H new HETATM 1147 FE HEC A 158 -2.205 -3.880 -8.848 1.00 10.00 FE HETATM 1148 CHA HEC A 158 -3.464 -6.454 -7.022 1.00 10.00 C HETATM 1149 CHB HEC A 158 -2.937 -5.594 -11.687 1.00 10.00 C HETATM 1150 CHC HEC A 158 -1.446 -1.136 -10.612 1.00 10.00 C HETATM 1151 CHD HEC A 158 -0.948 -2.515 -6.098 1.00 10.00 C HETATM 1152 NA HEC A 158 -3.015 -5.637 -9.222 1.00 10.00 N HETATM 1153 C1A HEC A 158 -3.479 -6.593 -8.402 1.00 10.00 C HETATM 1154 C2A HEC A 158 -4.277 -7.616 -9.120 1.00 10.00 C HETATM 1155 C3A HEC A 158 -4.085 -7.359 -10.414 1.00 10.00 C HETATM 1156 C4A HEC A 158 -3.366 -6.170 -10.559 1.00 10.00 C HETATM 1157 CMA HEC A 158 -4.701 -8.178 -11.611 1.00 10.00 C HETATM 1158 CAA HEC A 158 -4.901 -8.780 -8.406 1.00 10.00 C HETATM 1159 CBA HEC A 158 -4.142 -10.088 -8.799 1.00 10.00 C HETATM 1160 CGA HEC A 158 -4.899 -11.405 -8.714 1.00 10.00 C HETATM 1161 O1A HEC A 158 -4.900 -12.048 -9.770 1.00 10.00 O HETATM 1162 O2A HEC A 158 -5.436 -11.762 -7.643 1.00 10.00 O HETATM 1163 NB HEC A 158 -2.182 -3.434 -10.801 1.00 10.00 N HETATM 1164 C1B HEC A 158 -2.317 -4.360 -11.828 1.00 10.00 C HETATM 1165 C2B HEC A 158 -2.119 -3.606 -13.063 1.00 10.00 C HETATM 1166 C3B HEC A 158 -1.761 -2.326 -12.797 1.00 10.00 C HETATM 1167 C4B HEC A 158 -1.762 -2.286 -11.358 1.00 10.00 C HETATM 1168 CMB HEC A 158 -2.170 -4.312 -14.467 1.00 10.00 C HETATM 1169 CAB HEC A 158 -1.366 -1.184 -13.696 1.00 10.00 C HETATM 1170 CBB HEC A 158 -2.287 0.043 -13.599 1.00 10.00 C HETATM 1171 NC HEC A 158 -1.345 -2.147 -8.388 1.00 10.00 N HETATM 1172 C1C HEC A 158 -1.090 -1.082 -9.196 1.00 10.00 C HETATM 1173 C2C HEC A 158 -0.384 0.004 -8.640 1.00 10.00 C HETATM 1174 C3C HEC A 158 -0.283 -0.364 -7.347 1.00 10.00 C HETATM 1175 C4C HEC A 158 -0.793 -1.726 -7.201 1.00 10.00 C HETATM 1176 CMC HEC A 158 0.046 1.288 -9.282 1.00 10.00 C HETATM 1177 CAC HEC A 158 0.542 0.245 -6.171 1.00 10.00 C HETATM 1178 CBC HEC A 158 0.320 1.770 -6.043 1.00 10.00 C HETATM 1179 ND HEC A 158 -2.190 -4.382 -6.909 1.00 10.00 N HETATM 1180 C1D HEC A 158 -1.600 -3.670 -5.872 1.00 10.00 C HETATM 1181 C2D HEC A 158 -1.815 -4.328 -4.668 1.00 10.00 C HETATM 1182 C3D HEC A 158 -2.553 -5.422 -4.915 1.00 10.00 C HETATM 1183 C4D HEC A 158 -2.861 -5.420 -6.343 1.00 10.00 C HETATM 1184 CMD HEC A 158 -1.353 -3.820 -3.225 1.00 10.00 C HETATM 1185 CAD HEC A 158 -3.140 -6.370 -3.840 1.00 10.00 C HETATM 1186 CBD HEC A 158 -2.534 -7.753 -3.885 1.00 10.00 C HETATM 1187 CGD HEC A 158 -3.410 -8.905 -4.341 1.00 10.00 C HETATM 1188 O1D HEC A 158 -2.882 -10.050 -4.367 1.00 10.00 O HETATM 1189 O2D HEC A 158 -4.520 -8.562 -4.805 1.00 10.00 O HETATM 0 HMD3 HEC A 158 -0.268 -3.714 -3.207 1.00 10.00 H new HETATM 0 HMD2 HEC A 158 -1.815 -2.856 -3.014 1.00 10.00 H new HETATM 0 HMD1 HEC A 158 -1.660 -4.543 -2.469 1.00 10.00 H new HETATM 0 HMC3 HEC A 158 0.708 1.072 -10.121 1.00 10.00 H new HETATM 0 HMC2 HEC A 158 -0.831 1.827 -9.641 1.00 10.00 H new HETATM 0 HMC1 HEC A 158 0.574 1.901 -8.552 1.00 10.00 H new HETATM 0 HMB3 HEC A 158 -1.398 -5.080 -14.516 1.00 10.00 H new HETATM 0 HMB2 HEC A 158 -3.148 -4.771 -14.608 1.00 10.00 H new HETATM 0 HMB1 HEC A 158 -1.999 -3.575 -15.251 1.00 10.00 H new HETATM 0 HMA3 HEC A 158 -4.366 -9.214 -11.554 1.00 10.00 H new HETATM 0 HMA2 HEC A 158 -5.789 -8.145 -11.553 1.00 10.00 H new HETATM 0 HMA1 HEC A 158 -4.375 -7.743 -12.556 1.00 10.00 H new HETATM 0 HBD2 HEC A 158 -1.665 -7.715 -4.542 1.00 10.00 H new HETATM 0 HBD1 HEC A 158 -2.167 -7.989 -2.886 1.00 10.00 H new HETATM 0 HBC3 HEC A 158 0.627 2.261 -6.966 1.00 10.00 H new HETATM 0 HBC2 HEC A 158 -0.736 1.970 -5.859 1.00 10.00 H new HETATM 0 HBC1 HEC A 158 0.912 2.155 -5.213 1.00 10.00 H new HETATM 0 HBB3 HEC A 158 -3.303 -0.242 -13.873 1.00 10.00 H new HETATM 0 HBB2 HEC A 158 -2.280 0.424 -12.578 1.00 10.00 H new HETATM 0 HBB1 HEC A 158 -1.932 0.819 -14.278 1.00 10.00 H new HETATM 0 HBA2 HEC A 158 -3.786 -9.973 -9.823 1.00 10.00 H new HETATM 0 HBA1 HEC A 158 -3.261 -10.167 -8.162 1.00 10.00 H new HETATM 0 HAD2 HEC A 158 -2.976 -5.938 -2.853 1.00 10.00 H new HETATM 0 HAD1 HEC A 158 -4.218 -6.446 -3.979 1.00 10.00 H new HETATM 0 HAA2 HEC A 158 -4.855 -8.628 -7.328 1.00 10.00 H new HETATM 0 HAA1 HEC A 158 -5.955 -8.863 -8.671 1.00 10.00 H new HETATM 0 HHD HEC A 158 -0.437 -2.129 -5.216 1.00 10.00 H new HETATM 0 HHC HEC A 158 -1.469 -0.186 -11.146 1.00 10.00 H new HETATM 0 HHB HEC A 158 -3.093 -6.161 -12.605 1.00 10.00 H new HETATM 0 HHA HEC A 158 -3.967 -7.220 -6.432 1.00 10.00 H new HETATM 0 HAC HEC A 158 1.196 -0.334 -5.519 1.00 10.00 H new HETATM 0 HAB HEC A 158 -0.501 -1.224 -14.358 1.00 10.00 H new HETATM 0 H2D HEC A 158 -4.956 -9.337 -5.217 1.00 10.00 H new HETATM 0 H2A HEC A 158 -6.056 -12.500 -7.818 1.00 10.00 H new