USER MOD reduce.3.24.130724 H: found=0, std=0, add=660, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 657 hydrogens (0 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 79 HIS HD1 : A 79 HIS ND1 : A 138 ZNZN :(H bumps) USER MOD NoAdj-H: A 102 HIS HE2 : A 102 HIS NE2 : A 139 ZNZN :(H bumps) USER MOD Set 1.1: A 69 TYR OH : rot 126:sc= 0.636 USER MOD Set 1.2: A 73 HIS :FLIP no HE2:sc= -0.0608 F(o=0.046,f=1.2) USER MOD Set 1.3: A 81 LYS NZ :NH3+ -148:sc= -0.0196 (180deg=0) USER MOD Set 1.4: A 96 GLN :FLIP amide:sc= 0.227 X(o=1,f=1.2) USER MOD Set 1.5: A 99 SER OG : rot 88:sc= 0.41 USER MOD Single : A 55 GLN : amide:sc= -0.0425 X(o=-0.043,f=-0.54) USER MOD Single : A 60 THR OG1 : rot 180:sc=0.000742 USER MOD Single : A 63 MET CE :methyl -115:sc= -1.27 (180deg=-1.35) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot 180:sc=0.000781 USER MOD Single : A 84 SER OG : rot 2:sc= 0.554! USER MOD Single : A 88 SER OG : rot -55:sc= 0.0459 USER MOD Single : A 91 ASN : amide:sc= -0.0657 K(o=-0.066,f=-0.57) USER MOD Single : A 92 GLN : amide:sc= -2.9 X(o=-2.9,f=-2.5!) USER MOD Single : A 97 GLN : amide:sc= -0.862 K(o=-0.86,f=-1.9!) USER MOD Single : A 105 GLN : amide:sc= -0.134 X(o=-0.13,f=0) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 SER OG : rot 47:sc= 0.437 USER MOD Single : A 121 HIS : no HD1:sc= -0.81 K(o=-0.81,f=-1.8) USER MOD Single : A 122 ASN : amide:sc= -0.242 X(o=-0.24,f=-0.03) USER MOD Single : A 127 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.124) USER MOD Single : A 128 SER OG : rot 180:sc= -0.219 USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 51 -7.754 24.630 3.132 1.00 0.00 N ATOM 2 CA LEU A 51 -8.568 24.666 1.891 1.00 0.00 C ATOM 3 C LEU A 51 -8.943 23.260 1.435 1.00 0.00 C ATOM 4 O LEU A 51 -8.375 22.273 1.905 1.00 0.00 O ATOM 5 CB LEU A 51 -7.764 25.379 0.800 1.00 0.00 C ATOM 6 CG LEU A 51 -8.022 26.882 0.683 1.00 0.00 C ATOM 7 CD1 LEU A 51 -7.013 27.662 1.513 1.00 0.00 C ATOM 8 CD2 LEU A 51 -7.971 27.322 -0.772 1.00 0.00 C ATOM 0 HA LEU A 51 -9.495 25.205 2.088 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -6.702 25.222 0.991 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -7.988 24.912 -0.159 1.00 0.00 H new ATOM 0 HG LEU A 51 -9.020 27.090 1.069 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -7.211 28.730 1.418 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -7.098 27.369 2.559 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -6.005 27.447 1.157 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -8.157 28.394 -0.835 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -6.987 27.100 -1.185 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -8.732 26.788 -1.341 1.00 0.00 H new ATOM 20 N ARG A 52 -9.900 23.176 0.518 1.00 0.00 N ATOM 21 CA ARG A 52 -10.352 21.889 -0.002 1.00 0.00 C ATOM 22 C ARG A 52 -9.452 21.418 -1.140 1.00 0.00 C ATOM 23 O ARG A 52 -9.778 21.589 -2.315 1.00 0.00 O ATOM 24 CB ARG A 52 -11.799 21.990 -0.487 1.00 0.00 C ATOM 25 CG ARG A 52 -12.826 21.752 0.610 1.00 0.00 C ATOM 26 CD ARG A 52 -13.809 20.654 0.232 1.00 0.00 C ATOM 27 NE ARG A 52 -15.108 21.195 -0.162 1.00 0.00 N ATOM 28 CZ ARG A 52 -16.229 20.480 -0.199 1.00 0.00 C ATOM 29 NH1 ARG A 52 -16.217 19.195 0.135 1.00 0.00 N ATOM 30 NH2 ARG A 52 -17.369 21.051 -0.569 1.00 0.00 N ATOM 0 H ARG A 52 -10.379 23.983 0.119 1.00 0.00 H new ATOM 0 HA ARG A 52 -10.299 21.159 0.806 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -11.961 22.978 -0.917 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -11.957 21.265 -1.285 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -12.315 21.481 1.534 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -13.370 22.676 0.806 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -13.398 20.065 -0.588 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -13.939 19.977 1.076 1.00 0.00 H new ATOM 0 HE ARG A 52 -15.158 22.179 -0.424 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -15.345 18.751 0.422 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -17.080 18.652 0.105 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -17.385 22.038 -0.825 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -18.228 20.502 -0.597 1.00 0.00 H new ATOM 44 N LEU A 53 -8.320 20.821 -0.782 1.00 0.00 N ATOM 45 CA LEU A 53 -7.372 20.323 -1.773 1.00 0.00 C ATOM 46 C LEU A 53 -7.429 18.801 -1.873 1.00 0.00 C ATOM 47 O LEU A 53 -7.029 18.222 -2.883 1.00 0.00 O ATOM 48 CB LEU A 53 -5.951 20.768 -1.417 1.00 0.00 C ATOM 49 CG LEU A 53 -5.802 22.253 -1.085 1.00 0.00 C ATOM 50 CD1 LEU A 53 -4.735 22.458 -0.020 1.00 0.00 C ATOM 51 CD2 LEU A 53 -5.468 23.047 -2.338 1.00 0.00 C ATOM 0 H LEU A 53 -8.037 20.670 0.186 1.00 0.00 H new ATOM 0 HA LEU A 53 -7.648 20.741 -2.741 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -5.607 20.184 -0.563 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -5.292 20.530 -2.252 1.00 0.00 H new ATOM 0 HG LEU A 53 -6.752 22.615 -0.692 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -4.643 23.521 0.203 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -5.016 21.920 0.885 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -3.780 22.080 -0.384 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -5.365 24.102 -2.084 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -4.532 22.683 -2.761 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -6.267 22.926 -3.069 1.00 0.00 H new ATOM 63 N CYS A 54 -7.929 18.156 -0.821 1.00 0.00 N ATOM 64 CA CYS A 54 -8.037 16.701 -0.794 1.00 0.00 C ATOM 65 C CYS A 54 -8.785 16.182 -2.019 1.00 0.00 C ATOM 66 O CYS A 54 -9.758 16.788 -2.467 1.00 0.00 O ATOM 67 CB CYS A 54 -8.748 16.245 0.481 1.00 0.00 C ATOM 68 SG CYS A 54 -8.278 14.592 1.042 1.00 0.00 S ATOM 0 H CYS A 54 -8.265 18.619 0.023 1.00 0.00 H new ATOM 0 HA CYS A 54 -7.028 16.290 -0.808 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -8.537 16.960 1.276 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -9.824 16.266 0.311 1.00 0.00 H new ATOM 73 N GLN A 55 -8.324 15.057 -2.556 1.00 0.00 N ATOM 74 CA GLN A 55 -8.949 14.457 -3.728 1.00 0.00 C ATOM 75 C GLN A 55 -10.242 13.740 -3.349 1.00 0.00 C ATOM 76 O GLN A 55 -11.192 13.697 -4.131 1.00 0.00 O ATOM 77 CB GLN A 55 -7.987 13.475 -4.399 1.00 0.00 C ATOM 78 CG GLN A 55 -7.539 12.344 -3.488 1.00 0.00 C ATOM 79 CD GLN A 55 -6.707 11.305 -4.215 1.00 0.00 C ATOM 80 OE1 GLN A 55 -7.203 10.243 -4.588 1.00 0.00 O ATOM 81 NE2 GLN A 55 -5.429 11.610 -4.422 1.00 0.00 N ATOM 0 H GLN A 55 -7.519 14.543 -2.198 1.00 0.00 H new ATOM 0 HA GLN A 55 -9.189 15.256 -4.429 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -8.469 13.051 -5.280 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -7.109 14.020 -4.747 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -6.959 12.756 -2.662 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -8.416 11.863 -3.054 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -5.058 12.503 -4.096 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -4.820 10.951 -4.907 1.00 0.00 H new ATOM 90 N VAL A 56 -10.272 13.178 -2.145 1.00 0.00 N ATOM 91 CA VAL A 56 -11.448 12.463 -1.665 1.00 0.00 C ATOM 92 C VAL A 56 -12.629 13.410 -1.488 1.00 0.00 C ATOM 93 O VAL A 56 -12.463 14.553 -1.062 1.00 0.00 O ATOM 94 CB VAL A 56 -11.173 11.753 -0.325 1.00 0.00 C ATOM 95 CG1 VAL A 56 -12.284 10.765 -0.008 1.00 0.00 C ATOM 96 CG2 VAL A 56 -9.822 11.054 -0.356 1.00 0.00 C ATOM 0 H VAL A 56 -9.495 13.204 -1.484 1.00 0.00 H new ATOM 0 HA VAL A 56 -11.690 11.714 -2.419 1.00 0.00 H new ATOM 0 HB VAL A 56 -11.148 12.504 0.464 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -12.073 10.273 0.942 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -13.234 11.295 0.061 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -12.343 10.017 -0.799 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -9.647 10.559 0.599 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -9.814 10.313 -1.156 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -9.036 11.788 -0.534 1.00 0.00 H new ATOM 106 N ASP A 57 -13.823 12.927 -1.815 1.00 0.00 N ATOM 107 CA ASP A 57 -15.032 13.730 -1.691 1.00 0.00 C ATOM 108 C ASP A 57 -15.622 13.614 -0.290 1.00 0.00 C ATOM 109 O ASP A 57 -15.308 12.682 0.452 1.00 0.00 O ATOM 110 CB ASP A 57 -16.068 13.293 -2.730 1.00 0.00 C ATOM 111 CG ASP A 57 -15.946 14.069 -4.028 1.00 0.00 C ATOM 112 OD1 ASP A 57 -15.950 15.316 -3.976 1.00 0.00 O ATOM 113 OD2 ASP A 57 -15.847 13.427 -5.094 1.00 0.00 O ATOM 0 H ASP A 57 -13.978 11.983 -2.168 1.00 0.00 H new ATOM 0 HA ASP A 57 -14.765 14.772 -1.868 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -15.949 12.229 -2.933 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -17.069 13.429 -2.321 1.00 0.00 H new ATOM 118 N ARG A 58 -16.477 14.566 0.066 1.00 0.00 N ATOM 119 CA ARG A 58 -17.114 14.575 1.378 1.00 0.00 C ATOM 120 C ARG A 58 -16.077 14.681 2.494 1.00 0.00 C ATOM 121 O ARG A 58 -16.339 14.294 3.632 1.00 0.00 O ATOM 122 CB ARG A 58 -17.955 13.311 1.569 1.00 0.00 C ATOM 123 CG ARG A 58 -19.228 13.297 0.737 1.00 0.00 C ATOM 124 CD ARG A 58 -19.083 12.417 -0.493 1.00 0.00 C ATOM 125 NE ARG A 58 -19.812 12.952 -1.639 1.00 0.00 N ATOM 126 CZ ARG A 58 -20.126 12.238 -2.718 1.00 0.00 C ATOM 127 NH1 ARG A 58 -19.777 10.959 -2.801 1.00 0.00 N ATOM 128 NH2 ARG A 58 -20.793 12.802 -3.717 1.00 0.00 N ATOM 0 H ARG A 58 -16.746 15.343 -0.537 1.00 0.00 H new ATOM 0 HA ARG A 58 -17.763 15.449 1.428 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -17.352 12.441 1.310 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -18.218 13.215 2.622 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -20.057 12.938 1.346 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -19.474 14.314 0.431 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -18.027 12.321 -0.748 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -19.448 11.415 -0.267 1.00 0.00 H new ATOM 0 HE ARG A 58 -20.098 13.931 -1.611 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -19.266 10.519 -2.036 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -20.020 10.417 -3.630 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -21.065 13.783 -3.659 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -21.033 12.254 -4.543 1.00 0.00 H new ATOM 142 N CYS A 59 -14.903 15.212 2.165 1.00 0.00 N ATOM 143 CA CYS A 59 -13.836 15.368 3.146 1.00 0.00 C ATOM 144 C CYS A 59 -14.153 16.505 4.114 1.00 0.00 C ATOM 145 O CYS A 59 -14.262 17.663 3.712 1.00 0.00 O ATOM 146 CB CYS A 59 -12.502 15.637 2.445 1.00 0.00 C ATOM 147 SG CYS A 59 -11.108 15.876 3.573 1.00 0.00 S ATOM 0 H CYS A 59 -14.668 15.541 1.229 1.00 0.00 H new ATOM 0 HA CYS A 59 -13.758 14.440 3.713 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -12.279 14.802 1.781 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -12.605 16.524 1.819 1.00 0.00 H new ATOM 152 N THR A 60 -14.302 16.164 5.390 1.00 0.00 N ATOM 153 CA THR A 60 -14.606 17.156 6.414 1.00 0.00 C ATOM 154 C THR A 60 -13.330 17.763 6.988 1.00 0.00 C ATOM 155 O THR A 60 -13.313 18.924 7.396 1.00 0.00 O ATOM 156 CB THR A 60 -15.432 16.544 7.562 1.00 0.00 C ATOM 157 OG1 THR A 60 -14.800 15.349 8.036 1.00 0.00 O ATOM 158 CG2 THR A 60 -16.846 16.228 7.101 1.00 0.00 C ATOM 0 H THR A 60 -14.217 15.209 5.739 1.00 0.00 H new ATOM 0 HA THR A 60 -15.192 17.938 5.932 1.00 0.00 H new ATOM 0 HB THR A 60 -15.485 17.272 8.372 1.00 0.00 H new ATOM 0 HG1 THR A 60 -15.330 14.967 8.767 1.00 0.00 H new ATOM 0 HG21 THR A 60 -17.410 15.797 7.928 1.00 0.00 H new ATOM 0 HG22 THR A 60 -17.333 17.144 6.768 1.00 0.00 H new ATOM 0 HG23 THR A 60 -16.809 15.516 6.277 1.00 0.00 H new ATOM 166 N ALA A 61 -12.264 16.970 7.017 1.00 0.00 N ATOM 167 CA ALA A 61 -10.985 17.430 7.541 1.00 0.00 C ATOM 168 C ALA A 61 -10.469 18.631 6.756 1.00 0.00 C ATOM 169 O ALA A 61 -10.527 18.653 5.526 1.00 0.00 O ATOM 170 CB ALA A 61 -9.966 16.299 7.508 1.00 0.00 C ATOM 0 H ALA A 61 -12.261 16.006 6.684 1.00 0.00 H new ATOM 0 HA ALA A 61 -11.134 17.742 8.575 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -9.014 16.655 7.902 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -10.324 15.469 8.118 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -9.830 15.962 6.480 1.00 0.00 H new ATOM 176 N ASP A 62 -9.964 19.628 7.474 1.00 0.00 N ATOM 177 CA ASP A 62 -9.436 20.833 6.844 1.00 0.00 C ATOM 178 C ASP A 62 -7.968 20.655 6.474 1.00 0.00 C ATOM 179 O ASP A 62 -7.290 19.769 6.996 1.00 0.00 O ATOM 180 CB ASP A 62 -9.597 22.035 7.778 1.00 0.00 C ATOM 181 CG ASP A 62 -9.949 23.306 7.030 1.00 0.00 C ATOM 182 OD1 ASP A 62 -10.814 23.244 6.131 1.00 0.00 O ATOM 183 OD2 ASP A 62 -9.360 24.362 7.344 1.00 0.00 O ATOM 0 H ASP A 62 -9.909 19.626 8.493 1.00 0.00 H new ATOM 0 HA ASP A 62 -10.003 21.013 5.930 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -10.375 21.821 8.511 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -8.671 22.188 8.332 1.00 0.00 H new ATOM 188 N MET A 63 -7.481 21.500 5.570 1.00 0.00 N ATOM 189 CA MET A 63 -6.093 21.434 5.131 1.00 0.00 C ATOM 190 C MET A 63 -5.414 22.794 5.267 1.00 0.00 C ATOM 191 O MET A 63 -4.538 23.143 4.474 1.00 0.00 O ATOM 192 CB MET A 63 -6.020 20.948 3.680 1.00 0.00 C ATOM 193 CG MET A 63 -5.342 19.595 3.526 1.00 0.00 C ATOM 194 SD MET A 63 -5.349 19.005 1.823 1.00 0.00 S ATOM 195 CE MET A 63 -3.735 18.231 1.727 1.00 0.00 C ATOM 0 H MET A 63 -8.028 22.238 5.128 1.00 0.00 H new ATOM 0 HA MET A 63 -5.566 20.725 5.769 1.00 0.00 H new ATOM 0 HB2 MET A 63 -7.030 20.888 3.274 1.00 0.00 H new ATOM 0 HB3 MET A 63 -5.481 21.685 3.085 1.00 0.00 H new ATOM 0 HG2 MET A 63 -4.313 19.667 3.877 1.00 0.00 H new ATOM 0 HG3 MET A 63 -5.846 18.866 4.161 1.00 0.00 H new ATOM 0 HE1 MET A 63 -3.114 18.772 1.013 1.00 0.00 H new ATOM 0 HE2 MET A 63 -3.262 18.253 2.709 1.00 0.00 H new ATOM 0 HE3 MET A 63 -3.846 17.197 1.400 1.00 0.00 H new ATOM 205 N LYS A 64 -5.822 23.556 6.275 1.00 0.00 N ATOM 206 CA LYS A 64 -5.253 24.877 6.514 1.00 0.00 C ATOM 207 C LYS A 64 -3.754 24.786 6.778 1.00 0.00 C ATOM 208 O LYS A 64 -3.000 25.703 6.455 1.00 0.00 O ATOM 209 CB LYS A 64 -5.951 25.548 7.698 1.00 0.00 C ATOM 210 CG LYS A 64 -5.439 26.948 7.993 1.00 0.00 C ATOM 211 CD LYS A 64 -5.657 27.327 9.448 1.00 0.00 C ATOM 212 CE LYS A 64 -6.884 28.209 9.616 1.00 0.00 C ATOM 213 NZ LYS A 64 -6.554 29.655 9.482 1.00 0.00 N ATOM 0 H LYS A 64 -6.545 23.282 6.940 1.00 0.00 H new ATOM 0 HA LYS A 64 -5.409 25.479 5.619 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -7.021 25.596 7.498 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -5.820 24.928 8.585 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -4.376 27.005 7.757 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -5.948 27.665 7.349 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -5.772 26.424 10.047 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -4.778 27.849 9.825 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -7.631 27.937 8.870 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -7.330 28.028 10.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -7.418 30.221 9.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -5.860 29.922 10.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -6.153 29.834 8.539 1.00 0.00 H new ATOM 227 N GLU A 65 -3.328 23.672 7.367 1.00 0.00 N ATOM 228 CA GLU A 65 -1.918 23.463 7.673 1.00 0.00 C ATOM 229 C GLU A 65 -1.451 22.095 7.182 1.00 0.00 C ATOM 230 O GLU A 65 -1.313 21.156 7.966 1.00 0.00 O ATOM 231 CB GLU A 65 -1.678 23.585 9.180 1.00 0.00 C ATOM 232 CG GLU A 65 -2.194 24.886 9.775 1.00 0.00 C ATOM 233 CD GLU A 65 -1.078 25.790 10.260 1.00 0.00 C ATOM 234 OE1 GLU A 65 -0.068 25.927 9.539 1.00 0.00 O ATOM 235 OE2 GLU A 65 -1.216 26.363 11.362 1.00 0.00 O ATOM 0 H GLU A 65 -3.938 22.902 7.641 1.00 0.00 H new ATOM 0 HA GLU A 65 -1.342 24.231 7.156 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -2.160 22.748 9.685 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -0.609 23.504 9.377 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -2.785 25.414 9.026 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -2.861 24.661 10.607 1.00 0.00 H new ATOM 242 N ALA A 66 -1.212 21.992 5.879 1.00 0.00 N ATOM 243 CA ALA A 66 -0.760 20.740 5.283 1.00 0.00 C ATOM 244 C ALA A 66 0.762 20.649 5.285 1.00 0.00 C ATOM 245 O ALA A 66 1.454 21.668 5.300 1.00 0.00 O ATOM 246 CB ALA A 66 -1.298 20.606 3.866 1.00 0.00 C ATOM 0 H ALA A 66 -1.324 22.759 5.216 1.00 0.00 H new ATOM 0 HA ALA A 66 -1.147 19.918 5.886 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -0.953 19.667 3.433 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -2.388 20.617 3.888 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -0.939 21.438 3.260 1.00 0.00 H new ATOM 252 N LYS A 67 1.278 19.424 5.268 1.00 0.00 N ATOM 253 CA LYS A 67 2.719 19.202 5.266 1.00 0.00 C ATOM 254 C LYS A 67 3.215 18.861 3.865 1.00 0.00 C ATOM 255 O LYS A 67 2.422 18.711 2.934 1.00 0.00 O ATOM 256 CB LYS A 67 3.082 18.077 6.239 1.00 0.00 C ATOM 257 CG LYS A 67 4.316 18.374 7.076 1.00 0.00 C ATOM 258 CD LYS A 67 3.960 19.127 8.347 1.00 0.00 C ATOM 259 CE LYS A 67 5.138 19.189 9.306 1.00 0.00 C ATOM 260 NZ LYS A 67 4.714 19.569 10.683 1.00 0.00 N ATOM 0 H LYS A 67 0.720 18.570 5.255 1.00 0.00 H new ATOM 0 HA LYS A 67 3.206 20.123 5.588 1.00 0.00 H new ATOM 0 HB2 LYS A 67 2.237 17.895 6.903 1.00 0.00 H new ATOM 0 HB3 LYS A 67 3.247 17.159 5.675 1.00 0.00 H new ATOM 0 HG2 LYS A 67 4.816 17.440 7.333 1.00 0.00 H new ATOM 0 HG3 LYS A 67 5.022 18.962 6.489 1.00 0.00 H new ATOM 0 HD2 LYS A 67 3.641 20.138 8.095 1.00 0.00 H new ATOM 0 HD3 LYS A 67 3.117 18.639 8.836 1.00 0.00 H new ATOM 0 HE2 LYS A 67 5.635 18.219 9.334 1.00 0.00 H new ATOM 0 HE3 LYS A 67 5.868 19.911 8.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 5.546 19.600 11.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 4.262 20.506 10.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 4.037 18.867 11.044 1.00 0.00 H new ATOM 274 N LEU A 68 4.530 18.738 3.723 1.00 0.00 N ATOM 275 CA LEU A 68 5.135 18.414 2.434 1.00 0.00 C ATOM 276 C LEU A 68 4.615 17.078 1.908 1.00 0.00 C ATOM 277 O LEU A 68 4.565 16.854 0.698 1.00 0.00 O ATOM 278 CB LEU A 68 6.658 18.367 2.558 1.00 0.00 C ATOM 279 CG LEU A 68 7.409 18.146 1.244 1.00 0.00 C ATOM 280 CD1 LEU A 68 7.782 19.479 0.612 1.00 0.00 C ATOM 281 CD2 LEU A 68 8.651 17.299 1.476 1.00 0.00 C ATOM 0 H LEU A 68 5.199 18.858 4.484 1.00 0.00 H new ATOM 0 HA LEU A 68 4.859 19.196 1.726 1.00 0.00 H new ATOM 0 HB2 LEU A 68 7.000 19.302 3.001 1.00 0.00 H new ATOM 0 HB3 LEU A 68 6.926 17.569 3.251 1.00 0.00 H new ATOM 0 HG LEU A 68 6.752 17.612 0.557 1.00 0.00 H new ATOM 0 HD11 LEU A 68 8.316 19.302 -0.322 1.00 0.00 H new ATOM 0 HD12 LEU A 68 6.877 20.052 0.410 1.00 0.00 H new ATOM 0 HD13 LEU A 68 8.421 20.039 1.295 1.00 0.00 H new ATOM 0 HD21 LEU A 68 9.173 17.152 0.530 1.00 0.00 H new ATOM 0 HD22 LEU A 68 9.311 17.806 2.180 1.00 0.00 H new ATOM 0 HD23 LEU A 68 8.360 16.331 1.884 1.00 0.00 H new ATOM 293 N TYR A 69 4.231 16.194 2.823 1.00 0.00 N ATOM 294 CA TYR A 69 3.718 14.881 2.450 1.00 0.00 C ATOM 295 C TYR A 69 2.254 14.965 2.026 1.00 0.00 C ATOM 296 O TYR A 69 1.761 14.107 1.294 1.00 0.00 O ATOM 297 CB TYR A 69 3.867 13.902 3.615 1.00 0.00 C ATOM 298 CG TYR A 69 3.668 12.455 3.222 1.00 0.00 C ATOM 299 CD1 TYR A 69 4.604 11.793 2.439 1.00 0.00 C ATOM 300 CD2 TYR A 69 2.541 11.753 3.632 1.00 0.00 C ATOM 301 CE1 TYR A 69 4.426 10.473 2.076 1.00 0.00 C ATOM 302 CE2 TYR A 69 2.356 10.432 3.274 1.00 0.00 C ATOM 303 CZ TYR A 69 3.300 9.795 2.496 1.00 0.00 C ATOM 304 OH TYR A 69 3.119 8.480 2.138 1.00 0.00 O ATOM 0 H TYR A 69 4.265 16.363 3.828 1.00 0.00 H new ATOM 0 HA TYR A 69 4.302 14.520 1.603 1.00 0.00 H new ATOM 0 HB2 TYR A 69 4.859 14.018 4.051 1.00 0.00 H new ATOM 0 HB3 TYR A 69 3.146 14.161 4.390 1.00 0.00 H new ATOM 0 HD1 TYR A 69 5.487 12.320 2.108 1.00 0.00 H new ATOM 0 HD2 TYR A 69 1.798 12.248 4.240 1.00 0.00 H new ATOM 0 HE1 TYR A 69 5.164 9.974 1.466 1.00 0.00 H new ATOM 0 HE2 TYR A 69 1.475 9.900 3.602 1.00 0.00 H new ATOM 0 HH TYR A 69 2.969 7.940 2.942 1.00 0.00 H new ATOM 314 N HIS A 70 1.562 16.002 2.489 1.00 0.00 N ATOM 315 CA HIS A 70 0.156 16.192 2.154 1.00 0.00 C ATOM 316 C HIS A 70 -0.025 17.379 1.213 1.00 0.00 C ATOM 317 O HIS A 70 -0.897 18.223 1.420 1.00 0.00 O ATOM 318 CB HIS A 70 -0.667 16.404 3.427 1.00 0.00 C ATOM 319 CG HIS A 70 -0.737 15.193 4.302 1.00 0.00 C ATOM 320 ND1 HIS A 70 -0.944 15.259 5.665 1.00 0.00 N ATOM 321 CD2 HIS A 70 -0.627 13.875 4.005 1.00 0.00 C ATOM 322 CE1 HIS A 70 -0.955 14.036 6.166 1.00 0.00 C ATOM 323 NE2 HIS A 70 -0.766 13.179 5.180 1.00 0.00 N ATOM 0 H HIS A 70 1.952 16.722 3.097 1.00 0.00 H new ATOM 0 HA HIS A 70 -0.196 15.294 1.646 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -0.236 17.228 3.995 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -1.679 16.702 3.151 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -0.461 13.451 3.026 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -1.095 13.781 7.206 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -0.729 12.164 5.276 1.00 0.00 H new ATOM 331 N ARG A 71 0.806 17.438 0.177 1.00 0.00 N ATOM 332 CA ARG A 71 0.739 18.522 -0.797 1.00 0.00 C ATOM 333 C ARG A 71 0.581 17.974 -2.212 1.00 0.00 C ATOM 334 O ARG A 71 -0.516 17.977 -2.770 1.00 0.00 O ATOM 335 CB ARG A 71 1.993 19.394 -0.709 1.00 0.00 C ATOM 336 CG ARG A 71 1.859 20.554 0.265 1.00 0.00 C ATOM 337 CD ARG A 71 2.659 21.762 -0.196 1.00 0.00 C ATOM 338 NE ARG A 71 2.642 22.839 0.791 1.00 0.00 N ATOM 339 CZ ARG A 71 1.622 23.680 0.951 1.00 0.00 C ATOM 340 NH1 ARG A 71 0.537 23.574 0.194 1.00 0.00 N ATOM 341 NH2 ARG A 71 1.688 24.632 1.872 1.00 0.00 N ATOM 0 H ARG A 71 1.534 16.748 -0.010 1.00 0.00 H new ATOM 0 HA ARG A 71 -0.134 19.132 -0.565 1.00 0.00 H new ATOM 0 HB2 ARG A 71 2.837 18.773 -0.408 1.00 0.00 H new ATOM 0 HB3 ARG A 71 2.223 19.787 -1.700 1.00 0.00 H new ATOM 0 HG2 ARG A 71 0.809 20.828 0.364 1.00 0.00 H new ATOM 0 HG3 ARG A 71 2.202 20.244 1.252 1.00 0.00 H new ATOM 0 HD2 ARG A 71 3.689 21.463 -0.388 1.00 0.00 H new ATOM 0 HD3 ARG A 71 2.252 22.128 -1.139 1.00 0.00 H new ATOM 0 HE ARG A 71 3.458 22.953 1.392 1.00 0.00 H new ATOM 0 HH11 ARG A 71 0.480 22.844 -0.517 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -0.240 24.222 0.323 1.00 0.00 H new ATOM 0 HH21 ARG A 71 2.519 24.719 2.457 1.00 0.00 H new ATOM 0 HH22 ARG A 71 0.908 25.277 1.996 1.00 0.00 H new ATOM 355 N ARG A 72 1.685 17.506 -2.789 1.00 0.00 N ATOM 356 CA ARG A 72 1.668 16.957 -4.142 1.00 0.00 C ATOM 357 C ARG A 72 0.680 15.798 -4.252 1.00 0.00 C ATOM 358 O ARG A 72 0.156 15.519 -5.331 1.00 0.00 O ATOM 359 CB ARG A 72 3.071 16.493 -4.549 1.00 0.00 C ATOM 360 CG ARG A 72 3.570 15.283 -3.771 1.00 0.00 C ATOM 361 CD ARG A 72 4.244 14.268 -4.683 1.00 0.00 C ATOM 362 NE ARG A 72 5.693 14.243 -4.499 1.00 0.00 N ATOM 363 CZ ARG A 72 6.484 13.284 -4.974 1.00 0.00 C ATOM 364 NH1 ARG A 72 5.971 12.271 -5.663 1.00 0.00 N ATOM 365 NH2 ARG A 72 7.791 13.337 -4.761 1.00 0.00 N ATOM 0 H ARG A 72 2.601 17.496 -2.341 1.00 0.00 H new ATOM 0 HA ARG A 72 1.346 17.747 -4.820 1.00 0.00 H new ATOM 0 HB2 ARG A 72 3.070 16.254 -5.612 1.00 0.00 H new ATOM 0 HB3 ARG A 72 3.771 17.317 -4.408 1.00 0.00 H new ATOM 0 HG2 ARG A 72 4.274 15.608 -3.005 1.00 0.00 H new ATOM 0 HG3 ARG A 72 2.733 14.811 -3.256 1.00 0.00 H new ATOM 0 HD2 ARG A 72 3.836 13.277 -4.485 1.00 0.00 H new ATOM 0 HD3 ARG A 72 4.015 14.506 -5.722 1.00 0.00 H new ATOM 0 HE ARG A 72 6.124 15.005 -3.976 1.00 0.00 H new ATOM 0 HH11 ARG A 72 4.966 12.225 -5.830 1.00 0.00 H new ATOM 0 HH12 ARG A 72 6.582 11.539 -6.025 1.00 0.00 H new ATOM 0 HH21 ARG A 72 8.191 14.113 -4.233 1.00 0.00 H new ATOM 0 HH22 ARG A 72 8.397 12.602 -5.125 1.00 0.00 H new ATOM 379 N HIS A 73 0.429 15.129 -3.132 1.00 0.00 N ATOM 380 CA HIS A 73 -0.496 14.002 -3.107 1.00 0.00 C ATOM 381 C HIS A 73 -1.944 14.483 -3.079 1.00 0.00 C ATOM 382 O HIS A 73 -2.848 13.786 -3.540 1.00 0.00 O ATOM 383 CB HIS A 73 -0.217 13.114 -1.894 1.00 0.00 C ATOM 384 CG HIS A 73 1.175 12.560 -1.865 1.00 0.00 C ATOM 385 ND1 HIS A 73 2.320 13.067 -1.348 1.00 0.00 N flip ATOM 386 CD2 HIS A 73 1.513 11.344 -2.420 1.00 0.00 C flip ATOM 387 CE1 HIS A 73 3.316 12.155 -1.596 1.00 0.00 C flip ATOM 388 NE2 HIS A 73 2.803 11.125 -2.244 1.00 0.00 N flip ATOM 0 H HIS A 73 0.853 15.347 -2.230 1.00 0.00 H new ATOM 0 HA HIS A 73 -0.345 13.421 -4.017 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -0.389 13.690 -0.985 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -0.928 12.288 -1.887 1.00 0.00 H new ATOM 0 HD1 HIS A 73 2.423 13.959 -0.865 1.00 0.00 H new ATOM 0 HD2 HIS A 73 0.829 10.675 -2.921 1.00 0.00 H new ATOM 0 HE1 HIS A 73 4.351 12.263 -1.308 1.00 0.00 H new ATOM 396 N LYS A 74 -2.157 15.677 -2.534 1.00 0.00 N ATOM 397 CA LYS A 74 -3.494 16.251 -2.447 1.00 0.00 C ATOM 398 C LYS A 74 -4.405 15.383 -1.583 1.00 0.00 C ATOM 399 O LYS A 74 -5.540 15.089 -1.959 1.00 0.00 O ATOM 400 CB LYS A 74 -4.096 16.415 -3.845 1.00 0.00 C ATOM 401 CG LYS A 74 -3.746 17.737 -4.506 1.00 0.00 C ATOM 402 CD LYS A 74 -4.389 17.862 -5.878 1.00 0.00 C ATOM 403 CE LYS A 74 -5.903 17.948 -5.780 1.00 0.00 C ATOM 404 NZ LYS A 74 -6.526 18.304 -7.084 1.00 0.00 N ATOM 0 H LYS A 74 -1.420 16.266 -2.146 1.00 0.00 H new ATOM 0 HA LYS A 74 -3.410 17.232 -1.980 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -3.750 15.599 -4.479 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -5.180 16.328 -3.777 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -4.076 18.560 -3.872 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -2.664 17.822 -4.601 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -4.005 18.750 -6.381 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -4.112 17.004 -6.490 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -6.299 16.992 -5.438 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -6.176 18.692 -5.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -7.559 18.352 -6.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -6.168 19.228 -7.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -6.287 17.581 -7.792 1.00 0.00 H new ATOM 418 N VAL A 75 -3.898 14.975 -0.425 1.00 0.00 N ATOM 419 CA VAL A 75 -4.662 14.141 0.493 1.00 0.00 C ATOM 420 C VAL A 75 -4.334 14.483 1.943 1.00 0.00 C ATOM 421 O VAL A 75 -3.231 14.934 2.251 1.00 0.00 O ATOM 422 CB VAL A 75 -4.391 12.643 0.249 1.00 0.00 C ATOM 423 CG1 VAL A 75 -2.919 12.321 0.459 1.00 0.00 C ATOM 424 CG2 VAL A 75 -5.269 11.785 1.150 1.00 0.00 C ATOM 0 H VAL A 75 -2.960 15.209 -0.100 1.00 0.00 H new ATOM 0 HA VAL A 75 -5.717 14.343 0.306 1.00 0.00 H new ATOM 0 HB VAL A 75 -4.642 12.414 -0.787 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -2.750 11.259 0.282 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -2.316 12.905 -0.236 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -2.635 12.568 1.482 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -5.063 10.731 0.963 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -5.055 12.017 2.194 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -6.318 11.992 0.940 1.00 0.00 H new ATOM 434 N CYS A 76 -5.298 14.267 2.832 1.00 0.00 N ATOM 435 CA CYS A 76 -5.109 14.554 4.248 1.00 0.00 C ATOM 436 C CYS A 76 -4.804 13.277 5.028 1.00 0.00 C ATOM 437 O CYS A 76 -4.907 12.173 4.493 1.00 0.00 O ATOM 438 CB CYS A 76 -6.350 15.247 4.824 1.00 0.00 C ATOM 439 SG CYS A 76 -7.773 14.156 5.067 1.00 0.00 S ATOM 0 H CYS A 76 -6.218 13.894 2.596 1.00 0.00 H new ATOM 0 HA CYS A 76 -4.256 15.225 4.347 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -6.087 15.699 5.780 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -6.640 16.059 4.157 1.00 0.00 H new ATOM 444 N GLU A 77 -4.426 13.435 6.292 1.00 0.00 N ATOM 445 CA GLU A 77 -4.104 12.296 7.144 1.00 0.00 C ATOM 446 C GLU A 77 -5.342 11.447 7.414 1.00 0.00 C ATOM 447 O GLU A 77 -5.258 10.221 7.506 1.00 0.00 O ATOM 448 CB GLU A 77 -3.503 12.776 8.465 1.00 0.00 C ATOM 449 CG GLU A 77 -2.485 11.814 9.055 1.00 0.00 C ATOM 450 CD GLU A 77 -1.571 12.477 10.065 1.00 0.00 C ATOM 451 OE1 GLU A 77 -1.160 13.633 9.824 1.00 0.00 O ATOM 452 OE2 GLU A 77 -1.265 11.844 11.097 1.00 0.00 O ATOM 0 H GLU A 77 -4.335 14.342 6.750 1.00 0.00 H new ATOM 0 HA GLU A 77 -3.372 11.680 6.621 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -3.027 13.744 8.308 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -4.306 12.929 9.186 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -3.008 10.986 9.533 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -1.884 11.389 8.251 1.00 0.00 H new ATOM 459 N VAL A 78 -6.490 12.103 7.544 1.00 0.00 N ATOM 460 CA VAL A 78 -7.745 11.405 7.807 1.00 0.00 C ATOM 461 C VAL A 78 -8.048 10.383 6.717 1.00 0.00 C ATOM 462 O VAL A 78 -8.638 9.336 6.981 1.00 0.00 O ATOM 463 CB VAL A 78 -8.926 12.388 7.915 1.00 0.00 C ATOM 464 CG1 VAL A 78 -10.187 11.664 8.361 1.00 0.00 C ATOM 465 CG2 VAL A 78 -8.588 13.524 8.869 1.00 0.00 C ATOM 0 H VAL A 78 -6.578 13.117 7.472 1.00 0.00 H new ATOM 0 HA VAL A 78 -7.623 10.890 8.760 1.00 0.00 H new ATOM 0 HB VAL A 78 -9.111 12.814 6.929 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -11.010 12.376 8.431 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -10.438 10.890 7.636 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -10.019 11.207 9.336 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -9.433 14.209 8.933 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -8.374 13.118 9.858 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -7.714 14.061 8.501 1.00 0.00 H new ATOM 475 N HIS A 79 -7.643 10.694 5.491 1.00 0.00 N ATOM 476 CA HIS A 79 -7.874 9.801 4.361 1.00 0.00 C ATOM 477 C HIS A 79 -6.603 9.038 3.999 1.00 0.00 C ATOM 478 O HIS A 79 -6.663 7.922 3.486 1.00 0.00 O ATOM 479 CB HIS A 79 -8.371 10.595 3.150 1.00 0.00 C ATOM 480 CG HIS A 79 -9.828 10.933 3.217 1.00 0.00 C ATOM 481 ND1 HIS A 79 -10.302 12.229 3.236 1.00 0.00 N ATOM 482 CD2 HIS A 79 -10.922 10.136 3.268 1.00 0.00 C ATOM 483 CE1 HIS A 79 -11.620 12.214 3.298 1.00 0.00 C ATOM 484 NE2 HIS A 79 -12.022 10.958 3.318 1.00 0.00 N ATOM 0 H HIS A 79 -7.153 11.557 5.254 1.00 0.00 H new ATOM 0 HA HIS A 79 -8.637 9.079 4.651 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -7.795 11.517 3.068 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -8.181 10.019 2.244 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -10.929 9.056 3.269 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -12.261 13.083 3.327 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -12.992 10.647 3.363 1.00 0.00 H new ATOM 491 N ALA A 80 -5.453 9.649 4.269 1.00 0.00 N ATOM 492 CA ALA A 80 -4.170 9.025 3.972 1.00 0.00 C ATOM 493 C ALA A 80 -3.893 7.862 4.917 1.00 0.00 C ATOM 494 O ALA A 80 -3.228 6.893 4.548 1.00 0.00 O ATOM 495 CB ALA A 80 -3.052 10.054 4.056 1.00 0.00 C ATOM 0 H ALA A 80 -5.385 10.574 4.692 1.00 0.00 H new ATOM 0 HA ALA A 80 -4.212 8.631 2.957 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -2.099 9.575 3.832 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -3.236 10.851 3.335 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -3.019 10.475 5.061 1.00 0.00 H new ATOM 501 N LYS A 81 -4.407 7.963 6.139 1.00 0.00 N ATOM 502 CA LYS A 81 -4.215 6.918 7.138 1.00 0.00 C ATOM 503 C LYS A 81 -5.555 6.410 7.659 1.00 0.00 C ATOM 504 O LYS A 81 -5.707 6.136 8.849 1.00 0.00 O ATOM 505 CB LYS A 81 -3.369 7.445 8.300 1.00 0.00 C ATOM 506 CG LYS A 81 -1.916 7.693 7.931 1.00 0.00 C ATOM 507 CD LYS A 81 -1.122 6.397 7.887 1.00 0.00 C ATOM 508 CE LYS A 81 -0.310 6.197 9.155 1.00 0.00 C ATOM 509 NZ LYS A 81 0.645 5.060 9.030 1.00 0.00 N ATOM 0 H LYS A 81 -4.959 8.758 6.461 1.00 0.00 H new ATOM 0 HA LYS A 81 -3.692 6.087 6.663 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -3.806 8.374 8.665 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -3.410 6.730 9.122 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -1.865 8.185 6.960 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -1.466 8.372 8.656 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -1.803 5.556 7.754 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -0.455 6.407 7.025 1.00 0.00 H new ATOM 0 HE2 LYS A 81 0.240 7.110 9.381 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -0.984 6.015 9.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 0.769 4.607 9.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 0.270 4.365 8.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 1.563 5.413 8.691 1.00 0.00 H new ATOM 523 N ALA A 82 -6.525 6.286 6.758 1.00 0.00 N ATOM 524 CA ALA A 82 -7.853 5.809 7.126 1.00 0.00 C ATOM 525 C ALA A 82 -7.943 4.292 7.010 1.00 0.00 C ATOM 526 O ALA A 82 -6.952 3.622 6.725 1.00 0.00 O ATOM 527 CB ALA A 82 -8.910 6.472 6.254 1.00 0.00 C ATOM 0 H ALA A 82 -6.416 6.509 5.769 1.00 0.00 H new ATOM 0 HA ALA A 82 -8.035 6.078 8.167 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -9.897 6.108 6.538 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -8.869 7.553 6.391 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -8.722 6.231 5.208 1.00 0.00 H new ATOM 533 N SER A 83 -9.140 3.757 7.232 1.00 0.00 N ATOM 534 CA SER A 83 -9.360 2.318 7.152 1.00 0.00 C ATOM 535 C SER A 83 -10.115 1.953 5.878 1.00 0.00 C ATOM 536 O SER A 83 -9.904 0.885 5.304 1.00 0.00 O ATOM 537 CB SER A 83 -10.139 1.831 8.376 1.00 0.00 C ATOM 538 OG SER A 83 -11.245 2.674 8.645 1.00 0.00 O ATOM 0 H SER A 83 -9.971 4.298 7.468 1.00 0.00 H new ATOM 0 HA SER A 83 -8.387 1.828 7.130 1.00 0.00 H new ATOM 0 HB2 SER A 83 -10.487 0.812 8.208 1.00 0.00 H new ATOM 0 HB3 SER A 83 -9.479 1.803 9.243 1.00 0.00 H new ATOM 0 HG SER A 83 -11.727 2.340 9.430 1.00 0.00 H new ATOM 544 N SER A 84 -10.994 2.848 5.441 1.00 0.00 N ATOM 545 CA SER A 84 -11.781 2.622 4.235 1.00 0.00 C ATOM 546 C SER A 84 -12.519 3.891 3.821 1.00 0.00 C ATOM 547 O SER A 84 -13.285 4.457 4.601 1.00 0.00 O ATOM 548 CB SER A 84 -12.780 1.485 4.458 1.00 0.00 C ATOM 549 OG SER A 84 -13.925 1.943 5.157 1.00 0.00 O ATOM 0 H SER A 84 -11.179 3.737 5.905 1.00 0.00 H new ATOM 0 HA SER A 84 -11.098 2.343 3.432 1.00 0.00 H new ATOM 0 HB2 SER A 84 -13.080 1.066 3.497 1.00 0.00 H new ATOM 0 HB3 SER A 84 -12.303 0.683 5.021 1.00 0.00 H new ATOM 0 HG SER A 84 -13.847 2.907 5.317 1.00 0.00 H new ATOM 555 N VAL A 85 -12.284 4.331 2.589 1.00 0.00 N ATOM 556 CA VAL A 85 -12.927 5.534 2.072 1.00 0.00 C ATOM 557 C VAL A 85 -13.867 5.200 0.918 1.00 0.00 C ATOM 558 O VAL A 85 -13.722 4.166 0.266 1.00 0.00 O ATOM 559 CB VAL A 85 -11.890 6.566 1.589 1.00 0.00 C ATOM 560 CG1 VAL A 85 -12.542 7.925 1.386 1.00 0.00 C ATOM 561 CG2 VAL A 85 -10.731 6.666 2.569 1.00 0.00 C ATOM 0 H VAL A 85 -11.654 3.873 1.931 1.00 0.00 H new ATOM 0 HA VAL A 85 -13.499 5.964 2.894 1.00 0.00 H new ATOM 0 HB VAL A 85 -11.495 6.229 0.631 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -11.794 8.640 1.045 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -13.331 7.842 0.639 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -12.969 8.268 2.328 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -10.011 7.400 2.208 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -11.105 6.975 3.545 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -10.245 5.695 2.658 1.00 0.00 H new ATOM 571 N PHE A 86 -14.829 6.083 0.674 1.00 0.00 N ATOM 572 CA PHE A 86 -15.793 5.882 -0.403 1.00 0.00 C ATOM 573 C PHE A 86 -15.450 6.753 -1.608 1.00 0.00 C ATOM 574 O PHE A 86 -16.002 7.840 -1.776 1.00 0.00 O ATOM 575 CB PHE A 86 -17.208 6.196 0.086 1.00 0.00 C ATOM 576 CG PHE A 86 -18.252 5.261 -0.454 1.00 0.00 C ATOM 577 CD1 PHE A 86 -18.039 3.891 -0.459 1.00 0.00 C ATOM 578 CD2 PHE A 86 -19.446 5.751 -0.957 1.00 0.00 C ATOM 579 CE1 PHE A 86 -18.996 3.029 -0.956 1.00 0.00 C ATOM 580 CE2 PHE A 86 -20.409 4.892 -1.455 1.00 0.00 C ATOM 581 CZ PHE A 86 -20.184 3.530 -1.455 1.00 0.00 C ATOM 0 H PHE A 86 -14.962 6.943 1.206 1.00 0.00 H new ATOM 0 HA PHE A 86 -15.748 4.837 -0.709 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -17.224 6.156 1.175 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -17.464 7.217 -0.199 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -17.113 3.493 -0.069 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -19.627 6.816 -0.960 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -18.817 1.964 -0.955 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -21.336 5.287 -1.844 1.00 0.00 H new ATOM 0 HZ PHE A 86 -20.934 2.857 -1.844 1.00 0.00 H new ATOM 591 N LEU A 87 -14.537 6.268 -2.440 1.00 0.00 N ATOM 592 CA LEU A 87 -14.119 7.003 -3.629 1.00 0.00 C ATOM 593 C LEU A 87 -14.936 6.579 -4.846 1.00 0.00 C ATOM 594 O LEU A 87 -14.895 5.421 -5.261 1.00 0.00 O ATOM 595 CB LEU A 87 -12.627 6.778 -3.893 1.00 0.00 C ATOM 596 CG LEU A 87 -11.834 8.040 -4.235 1.00 0.00 C ATOM 597 CD1 LEU A 87 -11.868 9.023 -3.075 1.00 0.00 C ATOM 598 CD2 LEU A 87 -10.398 7.685 -4.593 1.00 0.00 C ATOM 0 H LEU A 87 -14.071 5.369 -2.314 1.00 0.00 H new ATOM 0 HA LEU A 87 -14.293 8.064 -3.452 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -12.183 6.316 -3.011 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -12.522 6.067 -4.713 1.00 0.00 H new ATOM 0 HG LEU A 87 -12.298 8.515 -5.100 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -11.298 9.915 -3.337 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -12.901 9.301 -2.864 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -11.429 8.559 -2.192 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -9.848 8.594 -4.834 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -9.924 7.187 -3.747 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -10.392 7.018 -5.455 1.00 0.00 H new ATOM 610 N SER A 88 -15.678 7.526 -5.412 1.00 0.00 N ATOM 611 CA SER A 88 -16.505 7.251 -6.581 1.00 0.00 C ATOM 612 C SER A 88 -17.535 6.168 -6.277 1.00 0.00 C ATOM 613 O SER A 88 -17.893 5.376 -7.149 1.00 0.00 O ATOM 614 CB SER A 88 -15.630 6.822 -7.760 1.00 0.00 C ATOM 615 OG SER A 88 -16.304 7.014 -8.993 1.00 0.00 O ATOM 0 H SER A 88 -15.723 8.489 -5.080 1.00 0.00 H new ATOM 0 HA SER A 88 -17.035 8.167 -6.844 1.00 0.00 H new ATOM 0 HB2 SER A 88 -14.703 7.395 -7.756 1.00 0.00 H new ATOM 0 HB3 SER A 88 -15.357 5.772 -7.651 1.00 0.00 H new ATOM 0 HG SER A 88 -17.161 6.539 -8.975 1.00 0.00 H new ATOM 621 N GLY A 89 -18.008 6.142 -5.036 1.00 0.00 N ATOM 622 CA GLY A 89 -18.993 5.152 -4.640 1.00 0.00 C ATOM 623 C GLY A 89 -18.424 3.747 -4.606 1.00 0.00 C ATOM 624 O GLY A 89 -19.148 2.772 -4.804 1.00 0.00 O ATOM 0 H GLY A 89 -17.728 6.788 -4.298 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -19.383 5.406 -3.654 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -19.834 5.183 -5.333 1.00 0.00 H new ATOM 628 N LEU A 90 -17.123 3.645 -4.356 1.00 0.00 N ATOM 629 CA LEU A 90 -16.456 2.349 -4.297 1.00 0.00 C ATOM 630 C LEU A 90 -15.555 2.256 -3.069 1.00 0.00 C ATOM 631 O LEU A 90 -15.250 3.265 -2.434 1.00 0.00 O ATOM 632 CB LEU A 90 -15.638 2.117 -5.570 1.00 0.00 C ATOM 633 CG LEU A 90 -15.910 0.789 -6.281 1.00 0.00 C ATOM 634 CD1 LEU A 90 -16.548 1.030 -7.643 1.00 0.00 C ATOM 635 CD2 LEU A 90 -14.626 -0.015 -6.428 1.00 0.00 C ATOM 0 H LEU A 90 -16.510 4.443 -4.191 1.00 0.00 H new ATOM 0 HA LEU A 90 -17.220 1.575 -4.220 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -15.838 2.932 -6.266 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -14.579 2.166 -5.317 1.00 0.00 H new ATOM 0 HG LEU A 90 -16.607 0.213 -5.672 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -16.733 0.074 -8.132 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -17.491 1.561 -7.514 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -15.876 1.628 -8.259 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -14.841 -0.955 -6.936 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -13.904 0.556 -7.012 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -14.212 -0.222 -5.441 1.00 0.00 H new ATOM 647 N ASN A 91 -15.131 1.039 -2.743 1.00 0.00 N ATOM 648 CA ASN A 91 -14.264 0.815 -1.592 1.00 0.00 C ATOM 649 C ASN A 91 -12.797 0.863 -2.000 1.00 0.00 C ATOM 650 O ASN A 91 -12.330 0.031 -2.778 1.00 0.00 O ATOM 651 CB ASN A 91 -14.581 -0.533 -0.942 1.00 0.00 C ATOM 652 CG ASN A 91 -15.650 -0.423 0.128 1.00 0.00 C ATOM 653 OD1 ASN A 91 -15.627 0.490 0.953 1.00 0.00 O ATOM 654 ND2 ASN A 91 -16.594 -1.358 0.119 1.00 0.00 N ATOM 0 H ASN A 91 -15.374 0.193 -3.259 1.00 0.00 H new ATOM 0 HA ASN A 91 -14.448 1.610 -0.870 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -14.910 -1.234 -1.709 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -13.672 -0.944 -0.502 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -17.339 -1.337 0.815 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -16.573 -2.097 -0.584 1.00 0.00 H new ATOM 661 N GLN A 92 -12.072 1.844 -1.472 1.00 0.00 N ATOM 662 CA GLN A 92 -10.656 2.002 -1.782 1.00 0.00 C ATOM 663 C GLN A 92 -9.860 2.341 -0.527 1.00 0.00 C ATOM 664 O GLN A 92 -10.404 2.868 0.443 1.00 0.00 O ATOM 665 CB GLN A 92 -10.462 3.094 -2.835 1.00 0.00 C ATOM 666 CG GLN A 92 -10.881 2.671 -4.234 1.00 0.00 C ATOM 667 CD GLN A 92 -11.705 3.728 -4.940 1.00 0.00 C ATOM 668 OE1 GLN A 92 -12.901 3.870 -4.687 1.00 0.00 O ATOM 669 NE2 GLN A 92 -11.069 4.477 -5.833 1.00 0.00 N ATOM 0 H GLN A 92 -12.442 2.542 -0.827 1.00 0.00 H new ATOM 0 HA GLN A 92 -10.288 1.056 -2.179 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -11.035 3.974 -2.544 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -9.413 3.388 -2.852 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -9.992 2.454 -4.826 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -11.457 1.747 -4.173 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -10.076 4.325 -6.012 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -11.573 5.204 -6.340 1.00 0.00 H new ATOM 678 N ARG A 93 -8.565 2.037 -0.554 1.00 0.00 N ATOM 679 CA ARG A 93 -7.692 2.312 0.581 1.00 0.00 C ATOM 680 C ARG A 93 -6.395 2.970 0.123 1.00 0.00 C ATOM 681 O ARG A 93 -5.855 2.633 -0.931 1.00 0.00 O ATOM 682 CB ARG A 93 -7.387 1.017 1.338 1.00 0.00 C ATOM 683 CG ARG A 93 -7.984 0.974 2.735 1.00 0.00 C ATOM 684 CD ARG A 93 -7.278 1.939 3.672 1.00 0.00 C ATOM 685 NE ARG A 93 -6.053 1.366 4.227 1.00 0.00 N ATOM 686 CZ ARG A 93 -5.077 2.088 4.771 1.00 0.00 C ATOM 687 NH1 ARG A 93 -5.177 3.410 4.839 1.00 0.00 N ATOM 688 NH2 ARG A 93 -3.996 1.487 5.252 1.00 0.00 N ATOM 0 H ARG A 93 -8.098 1.601 -1.349 1.00 0.00 H new ATOM 0 HA ARG A 93 -8.208 3.002 1.249 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -7.767 0.172 0.763 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -6.306 0.894 1.410 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -9.044 1.222 2.687 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -7.912 -0.039 3.132 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -7.038 2.856 3.134 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -7.951 2.213 4.485 1.00 0.00 H new ATOM 0 HE ARG A 93 -5.940 0.353 4.195 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -6.006 3.878 4.473 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -4.425 3.957 5.257 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -3.913 0.471 5.205 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -3.248 2.041 5.669 1.00 0.00 H new ATOM 702 N PHE A 94 -5.902 3.910 0.921 1.00 0.00 N ATOM 703 CA PHE A 94 -4.669 4.617 0.596 1.00 0.00 C ATOM 704 C PHE A 94 -3.452 3.728 0.836 1.00 0.00 C ATOM 705 O PHE A 94 -2.993 3.580 1.969 1.00 0.00 O ATOM 706 CB PHE A 94 -4.553 5.894 1.432 1.00 0.00 C ATOM 707 CG PHE A 94 -3.335 6.712 1.116 1.00 0.00 C ATOM 708 CD1 PHE A 94 -2.120 6.428 1.718 1.00 0.00 C ATOM 709 CD2 PHE A 94 -3.405 7.766 0.219 1.00 0.00 C ATOM 710 CE1 PHE A 94 -0.996 7.179 1.429 1.00 0.00 C ATOM 711 CE2 PHE A 94 -2.285 8.520 -0.074 1.00 0.00 C ATOM 712 CZ PHE A 94 -1.078 8.227 0.532 1.00 0.00 C ATOM 0 H PHE A 94 -6.337 4.200 1.797 1.00 0.00 H new ATOM 0 HA PHE A 94 -4.700 4.883 -0.461 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -5.442 6.505 1.272 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -4.536 5.626 2.488 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -2.050 5.611 2.421 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -4.346 8.001 -0.256 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -0.054 6.947 1.904 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -2.353 9.338 -0.776 1.00 0.00 H new ATOM 0 HZ PHE A 94 -0.201 8.815 0.305 1.00 0.00 H new ATOM 722 N CYS A 95 -2.935 3.139 -0.237 1.00 0.00 N ATOM 723 CA CYS A 95 -1.773 2.264 -0.143 1.00 0.00 C ATOM 724 C CYS A 95 -0.526 3.056 0.244 1.00 0.00 C ATOM 725 O CYS A 95 0.100 3.697 -0.598 1.00 0.00 O ATOM 726 CB CYS A 95 -1.541 1.546 -1.475 1.00 0.00 C ATOM 727 SG CYS A 95 -0.073 0.489 -1.506 1.00 0.00 S ATOM 0 H CYS A 95 -3.303 3.252 -1.182 1.00 0.00 H new ATOM 0 HA CYS A 95 -1.968 1.524 0.633 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -2.417 0.938 -1.704 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -1.454 2.291 -2.266 1.00 0.00 H new ATOM 732 N GLN A 96 -0.172 3.004 1.524 1.00 0.00 N ATOM 733 CA GLN A 96 1.000 3.714 2.022 1.00 0.00 C ATOM 734 C GLN A 96 2.264 3.257 1.297 1.00 0.00 C ATOM 735 O GLN A 96 3.242 3.998 1.207 1.00 0.00 O ATOM 736 CB GLN A 96 1.151 3.495 3.530 1.00 0.00 C ATOM 737 CG GLN A 96 0.705 4.683 4.364 1.00 0.00 C ATOM 738 CD GLN A 96 1.861 5.568 4.787 1.00 0.00 C ATOM 739 OE1 GLN A 96 2.634 6.037 3.813 1.00 0.00 O flip ATOM 740 NE2 GLN A 96 2.059 5.829 5.973 1.00 0.00 N flip ATOM 0 H GLN A 96 -0.680 2.478 2.235 1.00 0.00 H new ATOM 0 HA GLN A 96 0.860 4.778 1.829 1.00 0.00 H new ATOM 0 HB2 GLN A 96 0.571 2.619 3.821 1.00 0.00 H new ATOM 0 HB3 GLN A 96 2.195 3.276 3.754 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -0.010 5.275 3.793 1.00 0.00 H new ATOM 0 HG3 GLN A 96 0.184 4.324 5.252 1.00 0.00 H new ATOM 0 HE21 GLN A 96 1.441 5.448 6.689 1.00 0.00 H new ATOM 0 HE22 GLN A 96 2.841 6.427 6.240 1.00 0.00 H new ATOM 749 N GLN A 97 2.236 2.030 0.782 1.00 0.00 N ATOM 750 CA GLN A 97 3.378 1.475 0.067 1.00 0.00 C ATOM 751 C GLN A 97 3.745 2.342 -1.135 1.00 0.00 C ATOM 752 O GLN A 97 4.905 2.714 -1.312 1.00 0.00 O ATOM 753 CB GLN A 97 3.075 0.046 -0.392 1.00 0.00 C ATOM 754 CG GLN A 97 4.065 -0.982 0.128 1.00 0.00 C ATOM 755 CD GLN A 97 4.417 -2.030 -0.911 1.00 0.00 C ATOM 756 OE1 GLN A 97 3.811 -3.100 -0.959 1.00 0.00 O ATOM 757 NE2 GLN A 97 5.401 -1.725 -1.747 1.00 0.00 N ATOM 0 H GLN A 97 1.434 1.403 0.848 1.00 0.00 H new ATOM 0 HA GLN A 97 4.227 1.457 0.750 1.00 0.00 H new ATOM 0 HB2 GLN A 97 2.073 -0.228 -0.062 1.00 0.00 H new ATOM 0 HB3 GLN A 97 3.072 0.016 -1.482 1.00 0.00 H new ATOM 0 HG2 GLN A 97 4.975 -0.475 0.450 1.00 0.00 H new ATOM 0 HG3 GLN A 97 3.646 -1.473 1.006 1.00 0.00 H new ATOM 0 HE21 GLN A 97 5.875 -0.825 -1.670 1.00 0.00 H new ATOM 0 HE22 GLN A 97 5.683 -2.390 -2.467 1.00 0.00 H new ATOM 766 N CYS A 98 2.750 2.662 -1.955 1.00 0.00 N ATOM 767 CA CYS A 98 2.972 3.486 -3.140 1.00 0.00 C ATOM 768 C CYS A 98 2.347 4.871 -2.977 1.00 0.00 C ATOM 769 O CYS A 98 2.302 5.652 -3.923 1.00 0.00 O ATOM 770 CB CYS A 98 2.394 2.809 -4.384 1.00 0.00 C ATOM 771 SG CYS A 98 2.656 1.020 -4.449 1.00 0.00 S ATOM 0 H CYS A 98 1.783 2.365 -1.822 1.00 0.00 H new ATOM 0 HA CYS A 98 4.049 3.601 -3.260 1.00 0.00 H new ATOM 0 HB2 CYS A 98 1.323 3.009 -4.428 1.00 0.00 H new ATOM 0 HB3 CYS A 98 2.840 3.262 -5.270 1.00 0.00 H new ATOM 776 N SER A 99 1.858 5.169 -1.776 1.00 0.00 N ATOM 777 CA SER A 99 1.233 6.461 -1.506 1.00 0.00 C ATOM 778 C SER A 99 0.077 6.739 -2.469 1.00 0.00 C ATOM 779 O SER A 99 -0.402 7.870 -2.563 1.00 0.00 O ATOM 780 CB SER A 99 2.270 7.580 -1.604 1.00 0.00 C ATOM 781 OG SER A 99 2.021 8.594 -0.645 1.00 0.00 O ATOM 0 H SER A 99 1.882 4.536 -0.977 1.00 0.00 H new ATOM 0 HA SER A 99 0.829 6.428 -0.494 1.00 0.00 H new ATOM 0 HB2 SER A 99 3.268 7.169 -1.452 1.00 0.00 H new ATOM 0 HB3 SER A 99 2.251 8.010 -2.605 1.00 0.00 H new ATOM 0 HG SER A 99 2.468 8.365 0.197 1.00 0.00 H new ATOM 787 N ARG A 100 -0.370 5.708 -3.185 1.00 0.00 N ATOM 788 CA ARG A 100 -1.469 5.854 -4.133 1.00 0.00 C ATOM 789 C ARG A 100 -2.775 5.336 -3.538 1.00 0.00 C ATOM 790 O ARG A 100 -2.822 4.938 -2.374 1.00 0.00 O ATOM 791 CB ARG A 100 -1.157 5.106 -5.431 1.00 0.00 C ATOM 792 CG ARG A 100 0.120 5.572 -6.112 1.00 0.00 C ATOM 793 CD ARG A 100 -0.174 6.533 -7.252 1.00 0.00 C ATOM 794 NE ARG A 100 -0.232 7.920 -6.797 1.00 0.00 N ATOM 795 CZ ARG A 100 -0.804 8.904 -7.489 1.00 0.00 C ATOM 796 NH1 ARG A 100 -1.365 8.658 -8.665 1.00 0.00 N ATOM 797 NH2 ARG A 100 -0.812 10.137 -7.001 1.00 0.00 N ATOM 0 H ARG A 100 0.013 4.764 -3.125 1.00 0.00 H new ATOM 0 HA ARG A 100 -1.585 6.915 -4.352 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -1.076 4.041 -5.216 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -1.992 5.229 -6.121 1.00 0.00 H new ATOM 0 HG2 ARG A 100 0.766 6.059 -5.382 1.00 0.00 H new ATOM 0 HG3 ARG A 100 0.665 4.709 -6.494 1.00 0.00 H new ATOM 0 HD2 ARG A 100 0.596 6.434 -8.017 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -1.122 6.264 -7.717 1.00 0.00 H new ATOM 0 HE ARG A 100 0.190 8.148 -5.897 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -1.360 7.711 -9.044 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -1.802 9.416 -9.190 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -0.381 10.331 -6.097 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -1.250 10.892 -7.529 1.00 0.00 H new ATOM 811 N PHE A 101 -3.829 5.339 -4.345 1.00 0.00 N ATOM 812 CA PHE A 101 -5.135 4.867 -3.899 1.00 0.00 C ATOM 813 C PHE A 101 -5.518 3.574 -4.611 1.00 0.00 C ATOM 814 O PHE A 101 -5.935 3.590 -5.770 1.00 0.00 O ATOM 815 CB PHE A 101 -6.200 5.936 -4.151 1.00 0.00 C ATOM 816 CG PHE A 101 -6.487 6.792 -2.950 1.00 0.00 C ATOM 817 CD1 PHE A 101 -7.321 6.336 -1.942 1.00 0.00 C ATOM 818 CD2 PHE A 101 -5.922 8.051 -2.830 1.00 0.00 C ATOM 819 CE1 PHE A 101 -7.587 7.120 -0.836 1.00 0.00 C ATOM 820 CE2 PHE A 101 -6.183 8.840 -1.725 1.00 0.00 C ATOM 821 CZ PHE A 101 -7.017 8.374 -0.728 1.00 0.00 C ATOM 0 H PHE A 101 -3.805 5.663 -5.312 1.00 0.00 H new ATOM 0 HA PHE A 101 -5.076 4.668 -2.829 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -5.875 6.574 -4.973 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -7.122 5.450 -4.470 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -7.768 5.356 -2.022 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -5.270 8.420 -3.608 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -8.239 6.753 -0.057 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -5.735 9.819 -1.642 1.00 0.00 H new ATOM 0 HZ PHE A 101 -7.224 8.989 0.135 1.00 0.00 H new ATOM 831 N HIS A 102 -5.374 2.452 -3.910 1.00 0.00 N ATOM 832 CA HIS A 102 -5.706 1.149 -4.476 1.00 0.00 C ATOM 833 C HIS A 102 -7.039 0.643 -3.934 1.00 0.00 C ATOM 834 O HIS A 102 -7.430 0.975 -2.815 1.00 0.00 O ATOM 835 CB HIS A 102 -4.600 0.139 -4.167 1.00 0.00 C ATOM 836 CG HIS A 102 -3.247 0.565 -4.645 1.00 0.00 C ATOM 837 ND1 HIS A 102 -3.061 1.441 -5.694 1.00 0.00 N ATOM 838 CD2 HIS A 102 -2.007 0.235 -4.209 1.00 0.00 C ATOM 839 CE1 HIS A 102 -1.768 1.629 -5.884 1.00 0.00 C ATOM 840 NE2 HIS A 102 -1.107 0.911 -4.996 1.00 0.00 N ATOM 0 H HIS A 102 -5.030 2.420 -2.950 1.00 0.00 H new ATOM 0 HA HIS A 102 -5.794 1.262 -5.557 1.00 0.00 H new ATOM 0 HB2 HIS A 102 -4.560 -0.025 -3.090 1.00 0.00 H new ATOM 0 HB3 HIS A 102 -4.854 -0.817 -4.626 1.00 0.00 H new ATOM 0 HD1 HIS A 102 -3.806 1.876 -6.238 1.00 0.00 H new ATOM 0 HD2 HIS A 102 -1.771 -0.434 -3.395 1.00 0.00 H new ATOM 0 HE1 HIS A 102 -1.326 2.263 -6.638 1.00 0.00 H new ATOM 848 N ASP A 103 -7.730 -0.161 -4.734 1.00 0.00 N ATOM 849 CA ASP A 103 -9.020 -0.712 -4.333 1.00 0.00 C ATOM 850 C ASP A 103 -8.870 -1.618 -3.116 1.00 0.00 C ATOM 851 O ASP A 103 -7.778 -2.105 -2.824 1.00 0.00 O ATOM 852 CB ASP A 103 -9.646 -1.493 -5.492 1.00 0.00 C ATOM 853 CG ASP A 103 -11.157 -1.568 -5.388 1.00 0.00 C ATOM 854 OD1 ASP A 103 -11.830 -0.605 -5.811 1.00 0.00 O ATOM 855 OD2 ASP A 103 -11.666 -2.590 -4.884 1.00 0.00 O ATOM 0 H ASP A 103 -7.420 -0.446 -5.663 1.00 0.00 H new ATOM 0 HA ASP A 103 -9.675 0.117 -4.066 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -9.372 -1.020 -6.435 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -9.235 -2.502 -5.510 1.00 0.00 H new ATOM 860 N LEU A 104 -9.974 -1.841 -2.410 1.00 0.00 N ATOM 861 CA LEU A 104 -9.964 -2.688 -1.224 1.00 0.00 C ATOM 862 C LEU A 104 -9.708 -4.145 -1.598 1.00 0.00 C ATOM 863 O LEU A 104 -9.099 -4.896 -0.836 1.00 0.00 O ATOM 864 CB LEU A 104 -11.293 -2.567 -0.474 1.00 0.00 C ATOM 865 CG LEU A 104 -11.173 -2.512 1.049 1.00 0.00 C ATOM 866 CD1 LEU A 104 -10.704 -1.136 1.498 1.00 0.00 C ATOM 867 CD2 LEU A 104 -12.503 -2.862 1.701 1.00 0.00 C ATOM 0 H LEU A 104 -10.886 -1.447 -2.639 1.00 0.00 H new ATOM 0 HA LEU A 104 -9.156 -2.351 -0.574 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -11.805 -1.668 -0.816 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -11.923 -3.414 -0.743 1.00 0.00 H new ATOM 0 HG LEU A 104 -10.432 -3.247 1.363 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -10.624 -1.115 2.585 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -9.730 -0.922 1.059 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -11.422 -0.383 1.173 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -12.399 -2.818 2.785 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -13.264 -2.151 1.380 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -12.799 -3.868 1.405 1.00 0.00 H new ATOM 879 N GLN A 105 -10.176 -4.537 -2.779 1.00 0.00 N ATOM 880 CA GLN A 105 -9.997 -5.904 -3.256 1.00 0.00 C ATOM 881 C GLN A 105 -8.516 -6.247 -3.397 1.00 0.00 C ATOM 882 O GLN A 105 -8.133 -7.415 -3.346 1.00 0.00 O ATOM 883 CB GLN A 105 -10.706 -6.093 -4.598 1.00 0.00 C ATOM 884 CG GLN A 105 -12.134 -6.599 -4.465 1.00 0.00 C ATOM 885 CD GLN A 105 -13.057 -6.024 -5.522 1.00 0.00 C ATOM 886 OE1 GLN A 105 -14.197 -5.661 -5.236 1.00 0.00 O ATOM 887 NE2 GLN A 105 -12.566 -5.940 -6.753 1.00 0.00 N ATOM 0 H GLN A 105 -10.681 -3.928 -3.423 1.00 0.00 H new ATOM 0 HA GLN A 105 -10.436 -6.578 -2.520 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -10.714 -5.143 -5.132 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -10.135 -6.795 -5.205 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -12.138 -7.687 -4.537 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -12.516 -6.343 -3.477 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -11.614 -6.253 -6.945 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -13.140 -5.562 -7.507 1.00 0.00 H new ATOM 896 N GLU A 106 -7.686 -5.222 -3.574 1.00 0.00 N ATOM 897 CA GLU A 106 -6.249 -5.421 -3.723 1.00 0.00 C ATOM 898 C GLU A 106 -5.584 -5.628 -2.365 1.00 0.00 C ATOM 899 O GLU A 106 -4.581 -6.334 -2.255 1.00 0.00 O ATOM 900 CB GLU A 106 -5.618 -4.223 -4.434 1.00 0.00 C ATOM 901 CG GLU A 106 -5.974 -4.136 -5.911 1.00 0.00 C ATOM 902 CD GLU A 106 -5.187 -5.116 -6.758 1.00 0.00 C ATOM 903 OE1 GLU A 106 -4.783 -6.171 -6.225 1.00 0.00 O ATOM 904 OE2 GLU A 106 -4.973 -4.828 -7.954 1.00 0.00 O ATOM 0 H GLU A 106 -7.984 -4.248 -3.618 1.00 0.00 H new ATOM 0 HA GLU A 106 -6.093 -6.316 -4.325 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -5.937 -3.307 -3.937 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -4.534 -4.280 -4.333 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -7.040 -4.327 -6.036 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -5.788 -3.123 -6.267 1.00 0.00 H new ATOM 911 N PHE A 107 -6.149 -5.010 -1.333 1.00 0.00 N ATOM 912 CA PHE A 107 -5.610 -5.128 0.016 1.00 0.00 C ATOM 913 C PHE A 107 -5.719 -6.564 0.522 1.00 0.00 C ATOM 914 O PHE A 107 -4.819 -7.067 1.191 1.00 0.00 O ATOM 915 CB PHE A 107 -6.345 -4.180 0.966 1.00 0.00 C ATOM 916 CG PHE A 107 -5.606 -2.897 1.224 1.00 0.00 C ATOM 917 CD1 PHE A 107 -5.416 -1.975 0.207 1.00 0.00 C ATOM 918 CD2 PHE A 107 -5.101 -2.614 2.483 1.00 0.00 C ATOM 919 CE1 PHE A 107 -4.738 -0.795 0.440 1.00 0.00 C ATOM 920 CE2 PHE A 107 -4.421 -1.435 2.722 1.00 0.00 C ATOM 921 CZ PHE A 107 -4.239 -0.525 1.700 1.00 0.00 C ATOM 0 H PHE A 107 -6.980 -4.423 -1.406 1.00 0.00 H new ATOM 0 HA PHE A 107 -4.556 -4.853 -0.015 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -7.325 -3.948 0.549 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -6.515 -4.689 1.915 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -5.803 -2.182 -0.780 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -5.240 -3.323 3.286 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -4.598 -0.084 -0.361 1.00 0.00 H new ATOM 0 HE2 PHE A 107 -4.032 -1.226 3.708 1.00 0.00 H new ATOM 0 HZ PHE A 107 -3.707 0.397 1.885 1.00 0.00 H new ATOM 931 N ASP A 108 -6.831 -7.217 0.194 1.00 0.00 N ATOM 932 CA ASP A 108 -7.059 -8.595 0.614 1.00 0.00 C ATOM 933 C ASP A 108 -7.054 -8.709 2.134 1.00 0.00 C ATOM 934 O ASP A 108 -6.594 -7.806 2.834 1.00 0.00 O ATOM 935 CB ASP A 108 -5.990 -9.515 0.019 1.00 0.00 C ATOM 936 CG ASP A 108 -6.536 -10.886 -0.330 1.00 0.00 C ATOM 937 OD1 ASP A 108 -7.504 -10.956 -1.116 1.00 0.00 O ATOM 938 OD2 ASP A 108 -5.996 -11.887 0.185 1.00 0.00 O ATOM 0 H ASP A 108 -7.586 -6.814 -0.360 1.00 0.00 H new ATOM 0 HA ASP A 108 -8.039 -8.902 0.248 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -5.575 -9.053 -0.877 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -5.171 -9.623 0.730 1.00 0.00 H new ATOM 943 N GLU A 109 -7.570 -9.824 2.641 1.00 0.00 N ATOM 944 CA GLU A 109 -7.627 -10.056 4.078 1.00 0.00 C ATOM 945 C GLU A 109 -6.241 -10.372 4.633 1.00 0.00 C ATOM 946 O GLU A 109 -5.901 -9.974 5.747 1.00 0.00 O ATOM 947 CB GLU A 109 -8.588 -11.203 4.395 1.00 0.00 C ATOM 948 CG GLU A 109 -10.042 -10.770 4.488 1.00 0.00 C ATOM 949 CD GLU A 109 -10.872 -11.696 5.354 1.00 0.00 C ATOM 950 OE1 GLU A 109 -10.850 -11.527 6.591 1.00 0.00 O ATOM 951 OE2 GLU A 109 -11.543 -12.589 4.797 1.00 0.00 O ATOM 0 H GLU A 109 -7.955 -10.581 2.076 1.00 0.00 H new ATOM 0 HA GLU A 109 -7.991 -9.145 4.553 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -8.494 -11.968 3.624 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -8.293 -11.663 5.338 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -10.091 -9.759 4.893 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -10.471 -10.733 3.487 1.00 0.00 H new ATOM 958 N ALA A 110 -5.445 -11.089 3.847 1.00 0.00 N ATOM 959 CA ALA A 110 -4.097 -11.458 4.258 1.00 0.00 C ATOM 960 C ALA A 110 -3.152 -10.265 4.173 1.00 0.00 C ATOM 961 O ALA A 110 -2.416 -9.974 5.115 1.00 0.00 O ATOM 962 CB ALA A 110 -3.580 -12.603 3.401 1.00 0.00 C ATOM 0 H ALA A 110 -5.711 -11.426 2.922 1.00 0.00 H new ATOM 0 HA ALA A 110 -4.137 -11.784 5.297 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -2.572 -12.869 3.719 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -4.235 -13.467 3.514 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -3.562 -12.295 2.355 1.00 0.00 H new ATOM 968 N LYS A 111 -3.182 -9.574 3.038 1.00 0.00 N ATOM 969 CA LYS A 111 -2.328 -8.409 2.830 1.00 0.00 C ATOM 970 C LYS A 111 -2.993 -7.146 3.368 1.00 0.00 C ATOM 971 O LYS A 111 -4.175 -7.151 3.709 1.00 0.00 O ATOM 972 CB LYS A 111 -2.015 -8.240 1.343 1.00 0.00 C ATOM 973 CG LYS A 111 -1.034 -9.270 0.806 1.00 0.00 C ATOM 974 CD LYS A 111 -1.393 -9.701 -0.606 1.00 0.00 C ATOM 975 CE LYS A 111 -0.760 -11.037 -0.962 1.00 0.00 C ATOM 976 NZ LYS A 111 -1.786 -12.078 -1.251 1.00 0.00 N ATOM 0 H LYS A 111 -3.787 -9.800 2.249 1.00 0.00 H new ATOM 0 HA LYS A 111 -1.397 -8.569 3.374 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -2.943 -8.304 0.775 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -1.608 -7.242 1.177 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -0.027 -8.853 0.815 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -1.025 -10.141 1.462 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -2.476 -9.775 -0.700 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -1.062 -8.941 -1.314 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -0.114 -10.913 -1.831 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -0.127 -11.370 -0.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -1.314 -12.974 -1.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -2.387 -12.215 -0.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -2.374 -11.773 -2.052 1.00 0.00 H new ATOM 990 N ARG A 112 -2.224 -6.065 3.441 1.00 0.00 N ATOM 991 CA ARG A 112 -2.738 -4.795 3.939 1.00 0.00 C ATOM 992 C ARG A 112 -1.899 -3.629 3.422 1.00 0.00 C ATOM 993 O ARG A 112 -1.616 -2.681 4.153 1.00 0.00 O ATOM 994 CB ARG A 112 -2.755 -4.790 5.469 1.00 0.00 C ATOM 995 CG ARG A 112 -4.019 -4.190 6.062 1.00 0.00 C ATOM 996 CD ARG A 112 -3.864 -3.918 7.551 1.00 0.00 C ATOM 997 NE ARG A 112 -3.889 -2.488 7.851 1.00 0.00 N ATOM 998 CZ ARG A 112 -5.004 -1.764 7.921 1.00 0.00 C ATOM 999 NH1 ARG A 112 -6.185 -2.331 7.714 1.00 0.00 N ATOM 1000 NH2 ARG A 112 -4.934 -0.469 8.198 1.00 0.00 N ATOM 0 H ARG A 112 -1.243 -6.043 3.162 1.00 0.00 H new ATOM 0 HA ARG A 112 -3.758 -4.676 3.573 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -2.645 -5.813 5.828 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -1.893 -4.231 5.832 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -4.259 -3.261 5.545 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -4.856 -4.870 5.901 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -4.665 -4.417 8.096 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -2.925 -4.346 7.902 1.00 0.00 H new ATOM 0 HE ARG A 112 -3.000 -2.017 8.017 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -6.242 -3.327 7.500 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -7.036 -1.771 7.769 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -4.027 -0.030 8.357 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -5.787 0.088 8.252 1.00 0.00 H new ATOM 1014 N SER A 113 -1.502 -3.708 2.154 1.00 0.00 N ATOM 1015 CA SER A 113 -0.695 -2.660 1.542 1.00 0.00 C ATOM 1016 C SER A 113 -0.652 -2.821 0.026 1.00 0.00 C ATOM 1017 O SER A 113 -1.345 -2.114 -0.706 1.00 0.00 O ATOM 1018 CB SER A 113 0.725 -2.683 2.113 1.00 0.00 C ATOM 1019 OG SER A 113 0.889 -1.688 3.110 1.00 0.00 O ATOM 0 H SER A 113 -1.726 -4.486 1.533 1.00 0.00 H new ATOM 0 HA SER A 113 -1.155 -1.699 1.772 1.00 0.00 H new ATOM 0 HB2 SER A 113 0.934 -3.665 2.537 1.00 0.00 H new ATOM 0 HB3 SER A 113 1.446 -2.522 1.311 1.00 0.00 H new ATOM 0 HG SER A 113 0.131 -1.719 3.731 1.00 0.00 H new ATOM 1025 N CYS A 114 0.166 -3.756 -0.438 1.00 0.00 N ATOM 1026 CA CYS A 114 0.307 -4.015 -1.866 1.00 0.00 C ATOM 1027 C CYS A 114 0.968 -5.368 -2.111 1.00 0.00 C ATOM 1028 O CYS A 114 1.188 -6.138 -1.177 1.00 0.00 O ATOM 1029 CB CYS A 114 1.126 -2.902 -2.524 1.00 0.00 C ATOM 1030 SG CYS A 114 0.522 -2.397 -4.150 1.00 0.00 S ATOM 0 H CYS A 114 0.744 -4.350 0.156 1.00 0.00 H new ATOM 0 HA CYS A 114 -0.688 -4.036 -2.310 1.00 0.00 H new ATOM 0 HB2 CYS A 114 1.132 -2.033 -1.866 1.00 0.00 H new ATOM 0 HB3 CYS A 114 2.159 -3.236 -2.621 1.00 0.00 H new ATOM 1035 N ARG A 115 1.280 -5.653 -3.371 1.00 0.00 N ATOM 1036 CA ARG A 115 1.915 -6.914 -3.735 1.00 0.00 C ATOM 1037 C ARG A 115 3.430 -6.751 -3.835 1.00 0.00 C ATOM 1038 O ARG A 115 4.188 -7.572 -3.320 1.00 0.00 O ATOM 1039 CB ARG A 115 1.353 -7.429 -5.062 1.00 0.00 C ATOM 1040 CG ARG A 115 0.636 -8.764 -4.942 1.00 0.00 C ATOM 1041 CD ARG A 115 0.945 -9.672 -6.121 1.00 0.00 C ATOM 1042 NE ARG A 115 0.220 -9.270 -7.325 1.00 0.00 N ATOM 1043 CZ ARG A 115 -1.065 -9.542 -7.543 1.00 0.00 C ATOM 1044 NH1 ARG A 115 -1.770 -10.215 -6.643 1.00 0.00 N ATOM 1045 NH2 ARG A 115 -1.647 -9.138 -8.664 1.00 0.00 N ATOM 0 H ARG A 115 1.103 -5.028 -4.157 1.00 0.00 H new ATOM 0 HA ARG A 115 1.698 -7.641 -2.953 1.00 0.00 H new ATOM 0 HB2 ARG A 115 0.661 -6.690 -5.465 1.00 0.00 H new ATOM 0 HB3 ARG A 115 2.168 -7.527 -5.779 1.00 0.00 H new ATOM 0 HG2 ARG A 115 0.933 -9.255 -4.016 1.00 0.00 H new ATOM 0 HG3 ARG A 115 -0.439 -8.596 -4.883 1.00 0.00 H new ATOM 0 HD2 ARG A 115 2.016 -9.656 -6.320 1.00 0.00 H new ATOM 0 HD3 ARG A 115 0.684 -10.699 -5.866 1.00 0.00 H new ATOM 0 HE ARG A 115 0.729 -8.750 -8.040 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -1.328 -10.527 -5.778 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -2.754 -10.420 -6.816 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -1.110 -8.619 -9.359 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -2.631 -9.346 -8.831 1.00 0.00 H new ATOM 1059 N ARG A 116 3.861 -5.685 -4.501 1.00 0.00 N ATOM 1060 CA ARG A 116 5.283 -5.411 -4.670 1.00 0.00 C ATOM 1061 C ARG A 116 5.977 -5.287 -3.319 1.00 0.00 C ATOM 1062 O ARG A 116 5.582 -4.480 -2.478 1.00 0.00 O ATOM 1063 CB ARG A 116 5.483 -4.131 -5.482 1.00 0.00 C ATOM 1064 CG ARG A 116 6.922 -3.901 -5.915 1.00 0.00 C ATOM 1065 CD ARG A 116 7.437 -5.049 -6.770 1.00 0.00 C ATOM 1066 NE ARG A 116 8.395 -5.883 -6.047 1.00 0.00 N ATOM 1067 CZ ARG A 116 8.962 -6.972 -6.559 1.00 0.00 C ATOM 1068 NH1 ARG A 116 8.672 -7.363 -7.794 1.00 0.00 N ATOM 1069 NH2 ARG A 116 9.821 -7.675 -5.834 1.00 0.00 N ATOM 0 H ARG A 116 3.245 -4.996 -4.933 1.00 0.00 H new ATOM 0 HA ARG A 116 5.728 -6.247 -5.209 1.00 0.00 H new ATOM 0 HB2 ARG A 116 4.848 -4.170 -6.367 1.00 0.00 H new ATOM 0 HB3 ARG A 116 5.151 -3.279 -4.889 1.00 0.00 H new ATOM 0 HG2 ARG A 116 6.990 -2.969 -6.476 1.00 0.00 H new ATOM 0 HG3 ARG A 116 7.555 -3.789 -5.034 1.00 0.00 H new ATOM 0 HD2 ARG A 116 6.597 -5.662 -7.098 1.00 0.00 H new ATOM 0 HD3 ARG A 116 7.909 -4.649 -7.667 1.00 0.00 H new ATOM 0 HE ARG A 116 8.643 -5.615 -5.095 1.00 0.00 H new ATOM 0 HH11 ARG A 116 8.011 -6.827 -8.356 1.00 0.00 H new ATOM 0 HH12 ARG A 116 9.110 -8.199 -8.180 1.00 0.00 H new ATOM 0 HH21 ARG A 116 10.047 -7.381 -4.884 1.00 0.00 H new ATOM 0 HH22 ARG A 116 10.256 -8.510 -6.226 1.00 0.00 H new ATOM 1083 N ARG A 117 7.018 -6.092 -3.118 1.00 0.00 N ATOM 1084 CA ARG A 117 7.777 -6.079 -1.869 1.00 0.00 C ATOM 1085 C ARG A 117 7.003 -6.766 -0.750 1.00 0.00 C ATOM 1086 O ARG A 117 7.450 -7.771 -0.197 1.00 0.00 O ATOM 1087 CB ARG A 117 8.122 -4.645 -1.461 1.00 0.00 C ATOM 1088 CG ARG A 117 9.410 -4.531 -0.663 1.00 0.00 C ATOM 1089 CD ARG A 117 9.859 -3.087 -0.531 1.00 0.00 C ATOM 1090 NE ARG A 117 11.185 -2.977 0.075 1.00 0.00 N ATOM 1091 CZ ARG A 117 11.427 -3.175 1.369 1.00 0.00 C ATOM 1092 NH1 ARG A 117 10.439 -3.495 2.195 1.00 0.00 N ATOM 1093 NH2 ARG A 117 12.661 -3.057 1.837 1.00 0.00 N ATOM 0 H ARG A 117 7.356 -6.764 -3.807 1.00 0.00 H new ATOM 0 HA ARG A 117 8.702 -6.630 -2.038 1.00 0.00 H new ATOM 0 HB2 ARG A 117 8.205 -4.031 -2.358 1.00 0.00 H new ATOM 0 HB3 ARG A 117 7.302 -4.237 -0.870 1.00 0.00 H new ATOM 0 HG2 ARG A 117 9.264 -4.959 0.329 1.00 0.00 H new ATOM 0 HG3 ARG A 117 10.193 -5.113 -1.149 1.00 0.00 H new ATOM 0 HD2 ARG A 117 9.871 -2.620 -1.516 1.00 0.00 H new ATOM 0 HD3 ARG A 117 9.138 -2.537 0.074 1.00 0.00 H new ATOM 0 HE ARG A 117 11.970 -2.734 -0.529 1.00 0.00 H new ATOM 0 HH11 ARG A 117 9.488 -3.591 1.839 1.00 0.00 H new ATOM 0 HH12 ARG A 117 10.631 -3.645 3.185 1.00 0.00 H new ATOM 0 HH21 ARG A 117 13.425 -2.815 1.206 1.00 0.00 H new ATOM 0 HH22 ARG A 117 12.847 -3.209 2.828 1.00 0.00 H new ATOM 1107 N LEU A 118 5.842 -6.216 -0.420 1.00 0.00 N ATOM 1108 CA LEU A 118 4.996 -6.765 0.636 1.00 0.00 C ATOM 1109 C LEU A 118 4.843 -8.278 0.490 1.00 0.00 C ATOM 1110 O LEU A 118 4.914 -9.017 1.473 1.00 0.00 O ATOM 1111 CB LEU A 118 3.620 -6.098 0.612 1.00 0.00 C ATOM 1112 CG LEU A 118 3.010 -5.820 1.987 1.00 0.00 C ATOM 1113 CD1 LEU A 118 2.882 -7.108 2.784 1.00 0.00 C ATOM 1114 CD2 LEU A 118 3.849 -4.801 2.744 1.00 0.00 C ATOM 0 H LEU A 118 5.461 -5.384 -0.871 1.00 0.00 H new ATOM 0 HA LEU A 118 5.478 -6.561 1.592 1.00 0.00 H new ATOM 0 HB2 LEU A 118 3.699 -5.156 0.070 1.00 0.00 H new ATOM 0 HB3 LEU A 118 2.935 -6.733 0.050 1.00 0.00 H new ATOM 0 HG LEU A 118 2.012 -5.406 1.845 1.00 0.00 H new ATOM 0 HD11 LEU A 118 2.446 -6.891 3.759 1.00 0.00 H new ATOM 0 HD12 LEU A 118 2.240 -7.806 2.247 1.00 0.00 H new ATOM 0 HD13 LEU A 118 3.868 -7.552 2.918 1.00 0.00 H new ATOM 0 HD21 LEU A 118 3.401 -4.614 3.720 1.00 0.00 H new ATOM 0 HD22 LEU A 118 4.859 -5.188 2.876 1.00 0.00 H new ATOM 0 HD23 LEU A 118 3.888 -3.870 2.179 1.00 0.00 H new ATOM 1126 N ALA A 119 4.631 -8.732 -0.741 1.00 0.00 N ATOM 1127 CA ALA A 119 4.468 -10.155 -1.015 1.00 0.00 C ATOM 1128 C ALA A 119 5.793 -10.896 -0.869 1.00 0.00 C ATOM 1129 O ALA A 119 6.741 -10.645 -1.612 1.00 0.00 O ATOM 1130 CB ALA A 119 3.895 -10.363 -2.408 1.00 0.00 C ATOM 0 H ALA A 119 4.568 -8.134 -1.565 1.00 0.00 H new ATOM 0 HA ALA A 119 3.770 -10.563 -0.284 1.00 0.00 H new ATOM 0 HB1 ALA A 119 3.779 -11.430 -2.598 1.00 0.00 H new ATOM 0 HB2 ALA A 119 2.923 -9.874 -2.478 1.00 0.00 H new ATOM 0 HB3 ALA A 119 4.571 -9.934 -3.147 1.00 0.00 H new ATOM 1136 N GLY A 120 5.851 -11.811 0.095 1.00 0.00 N ATOM 1137 CA GLY A 120 7.066 -12.574 0.319 1.00 0.00 C ATOM 1138 C GLY A 120 6.937 -13.541 1.480 1.00 0.00 C ATOM 1139 O GLY A 120 7.618 -13.396 2.496 1.00 0.00 O ATOM 0 H GLY A 120 5.080 -12.037 0.723 1.00 0.00 H new ATOM 0 HA2 GLY A 120 7.315 -13.128 -0.586 1.00 0.00 H new ATOM 0 HA3 GLY A 120 7.892 -11.889 0.511 1.00 0.00 H new ATOM 1143 N HIS A 121 6.065 -14.533 1.328 1.00 0.00 N ATOM 1144 CA HIS A 121 5.851 -15.529 2.373 1.00 0.00 C ATOM 1145 C HIS A 121 6.311 -16.908 1.912 1.00 0.00 C ATOM 1146 O HIS A 121 5.610 -17.586 1.161 1.00 0.00 O ATOM 1147 CB HIS A 121 4.374 -15.575 2.768 1.00 0.00 C ATOM 1148 CG HIS A 121 3.462 -15.919 1.632 1.00 0.00 C ATOM 1149 ND1 HIS A 121 3.169 -15.041 0.609 1.00 0.00 N ATOM 1150 CD2 HIS A 121 2.774 -17.054 1.359 1.00 0.00 C ATOM 1151 CE1 HIS A 121 2.341 -15.620 -0.242 1.00 0.00 C ATOM 1152 NE2 HIS A 121 2.087 -16.841 0.190 1.00 0.00 N ATOM 0 H HIS A 121 5.496 -14.669 0.493 1.00 0.00 H new ATOM 0 HA HIS A 121 6.443 -15.241 3.242 1.00 0.00 H new ATOM 0 HB2 HIS A 121 4.242 -16.308 3.564 1.00 0.00 H new ATOM 0 HB3 HIS A 121 4.085 -14.606 3.175 1.00 0.00 H new ATOM 0 HD2 HIS A 121 2.767 -17.957 1.951 1.00 0.00 H new ATOM 0 HE1 HIS A 121 1.940 -15.171 -1.139 1.00 0.00 H new ATOM 0 HE2 HIS A 121 1.478 -17.517 -0.271 1.00 0.00 H new ATOM 1160 N ASN A 122 7.491 -17.315 2.365 1.00 0.00 N ATOM 1161 CA ASN A 122 8.043 -18.615 1.998 1.00 0.00 C ATOM 1162 C ASN A 122 9.024 -19.108 3.058 1.00 0.00 C ATOM 1163 O ASN A 122 9.993 -19.800 2.747 1.00 0.00 O ATOM 1164 CB ASN A 122 8.743 -18.530 0.640 1.00 0.00 C ATOM 1165 CG ASN A 122 8.764 -19.863 -0.081 1.00 0.00 C ATOM 1166 OD1 ASN A 122 9.823 -20.349 -0.480 1.00 0.00 O ATOM 1167 ND2 ASN A 122 7.592 -20.462 -0.254 1.00 0.00 N ATOM 0 H ASN A 122 8.084 -16.765 2.986 1.00 0.00 H new ATOM 0 HA ASN A 122 7.220 -19.326 1.931 1.00 0.00 H new ATOM 0 HB2 ASN A 122 8.237 -17.791 0.019 1.00 0.00 H new ATOM 0 HB3 ASN A 122 9.766 -18.180 0.782 1.00 0.00 H new ATOM 0 HD21 ASN A 122 7.545 -21.361 -0.734 1.00 0.00 H new ATOM 0 HD22 ASN A 122 6.739 -20.023 0.093 1.00 0.00 H new ATOM 1174 N GLU A 123 8.766 -18.747 4.311 1.00 0.00 N ATOM 1175 CA GLU A 123 9.627 -19.152 5.416 1.00 0.00 C ATOM 1176 C GLU A 123 9.020 -20.328 6.174 1.00 0.00 C ATOM 1177 O GLU A 123 7.814 -20.564 6.113 1.00 0.00 O ATOM 1178 CB GLU A 123 9.856 -17.977 6.369 1.00 0.00 C ATOM 1179 CG GLU A 123 11.158 -17.234 6.116 1.00 0.00 C ATOM 1180 CD GLU A 123 11.824 -16.769 7.395 1.00 0.00 C ATOM 1181 OE1 GLU A 123 11.749 -17.502 8.404 1.00 0.00 O ATOM 1182 OE2 GLU A 123 12.418 -15.671 7.390 1.00 0.00 O ATOM 0 H GLU A 123 7.968 -18.175 4.586 1.00 0.00 H new ATOM 0 HA GLU A 123 10.585 -19.466 5.002 1.00 0.00 H new ATOM 0 HB2 GLU A 123 9.025 -17.278 6.277 1.00 0.00 H new ATOM 0 HB3 GLU A 123 9.851 -18.345 7.395 1.00 0.00 H new ATOM 0 HG2 GLU A 123 11.842 -17.884 5.570 1.00 0.00 H new ATOM 0 HG3 GLU A 123 10.962 -16.371 5.479 1.00 0.00 H new ATOM 1189 N ARG A 124 9.866 -21.064 6.889 1.00 0.00 N ATOM 1190 CA ARG A 124 9.414 -22.215 7.660 1.00 0.00 C ATOM 1191 C ARG A 124 10.298 -22.432 8.884 1.00 0.00 C ATOM 1192 O ARG A 124 11.521 -22.517 8.770 1.00 0.00 O ATOM 1193 CB ARG A 124 9.413 -23.472 6.788 1.00 0.00 C ATOM 1194 CG ARG A 124 8.483 -24.562 7.293 1.00 0.00 C ATOM 1195 CD ARG A 124 7.072 -24.383 6.755 1.00 0.00 C ATOM 1196 NE ARG A 124 7.054 -24.236 5.301 1.00 0.00 N ATOM 1197 CZ ARG A 124 7.188 -25.250 4.451 1.00 0.00 C ATOM 1198 NH1 ARG A 124 7.350 -26.488 4.903 1.00 0.00 N ATOM 1199 NH2 ARG A 124 7.158 -25.028 3.145 1.00 0.00 N ATOM 0 H ARG A 124 10.868 -20.883 6.950 1.00 0.00 H new ATOM 0 HA ARG A 124 8.397 -22.016 7.999 1.00 0.00 H new ATOM 0 HB2 ARG A 124 9.123 -23.200 5.773 1.00 0.00 H new ATOM 0 HB3 ARG A 124 10.427 -23.868 6.734 1.00 0.00 H new ATOM 0 HG2 ARG A 124 8.867 -25.537 6.993 1.00 0.00 H new ATOM 0 HG3 ARG A 124 8.463 -24.549 8.383 1.00 0.00 H new ATOM 0 HD2 ARG A 124 6.464 -25.242 7.040 1.00 0.00 H new ATOM 0 HD3 ARG A 124 6.618 -23.505 7.214 1.00 0.00 H new ATOM 0 HE ARG A 124 6.931 -23.300 4.915 1.00 0.00 H new ATOM 0 HH11 ARG A 124 7.372 -26.665 5.907 1.00 0.00 H new ATOM 0 HH12 ARG A 124 7.452 -27.262 4.246 1.00 0.00 H new ATOM 0 HH21 ARG A 124 7.032 -24.079 2.792 1.00 0.00 H new ATOM 0 HH22 ARG A 124 7.261 -25.806 2.493 1.00 0.00 H new ATOM 1213 N ARG A 125 9.672 -22.520 10.053 1.00 0.00 N ATOM 1214 CA ARG A 125 10.402 -22.726 11.297 1.00 0.00 C ATOM 1215 C ARG A 125 10.209 -24.151 11.809 1.00 0.00 C ATOM 1216 O ARG A 125 9.196 -24.791 11.524 1.00 0.00 O ATOM 1217 CB ARG A 125 9.944 -21.719 12.356 1.00 0.00 C ATOM 1218 CG ARG A 125 11.063 -20.824 12.866 1.00 0.00 C ATOM 1219 CD ARG A 125 11.248 -20.963 14.370 1.00 0.00 C ATOM 1220 NE ARG A 125 12.361 -21.846 14.705 1.00 0.00 N ATOM 1221 CZ ARG A 125 12.959 -21.869 15.894 1.00 0.00 C ATOM 1222 NH1 ARG A 125 12.553 -21.058 16.864 1.00 0.00 N ATOM 1223 NH2 ARG A 125 13.964 -22.704 16.115 1.00 0.00 N ATOM 0 H ARG A 125 8.660 -22.452 10.164 1.00 0.00 H new ATOM 0 HA ARG A 125 11.463 -22.572 11.099 1.00 0.00 H new ATOM 0 HB2 ARG A 125 9.154 -21.096 11.936 1.00 0.00 H new ATOM 0 HB3 ARG A 125 9.510 -22.260 13.197 1.00 0.00 H new ATOM 0 HG2 ARG A 125 11.994 -21.079 12.359 1.00 0.00 H new ATOM 0 HG3 ARG A 125 10.840 -19.786 12.620 1.00 0.00 H new ATOM 0 HD2 ARG A 125 11.422 -19.979 14.806 1.00 0.00 H new ATOM 0 HD3 ARG A 125 10.331 -21.351 14.814 1.00 0.00 H new ATOM 0 HE ARG A 125 12.701 -22.484 13.985 1.00 0.00 H new ATOM 0 HH11 ARG A 125 11.780 -20.414 16.700 1.00 0.00 H new ATOM 0 HH12 ARG A 125 13.015 -21.080 17.773 1.00 0.00 H new ATOM 0 HH21 ARG A 125 14.280 -23.330 15.374 1.00 0.00 H new ATOM 0 HH22 ARG A 125 14.422 -22.721 17.026 1.00 0.00 H new ATOM 1237 N ARG A 126 11.185 -24.640 12.567 1.00 0.00 N ATOM 1238 CA ARG A 126 11.121 -25.989 13.119 1.00 0.00 C ATOM 1239 C ARG A 126 11.150 -25.954 14.645 1.00 0.00 C ATOM 1240 O ARG A 126 11.819 -25.111 15.243 1.00 0.00 O ATOM 1241 CB ARG A 126 12.282 -26.832 12.591 1.00 0.00 C ATOM 1242 CG ARG A 126 11.858 -28.202 12.083 1.00 0.00 C ATOM 1243 CD ARG A 126 12.496 -28.524 10.741 1.00 0.00 C ATOM 1244 NE ARG A 126 13.952 -28.408 10.786 1.00 0.00 N ATOM 1245 CZ ARG A 126 14.750 -28.690 9.758 1.00 0.00 C ATOM 1246 NH1 ARG A 126 14.238 -29.103 8.605 1.00 0.00 N ATOM 1247 NH2 ARG A 126 16.064 -28.557 9.883 1.00 0.00 N ATOM 0 H ARG A 126 12.029 -24.123 12.813 1.00 0.00 H new ATOM 0 HA ARG A 126 10.181 -26.442 12.804 1.00 0.00 H new ATOM 0 HB2 ARG A 126 12.775 -26.291 11.783 1.00 0.00 H new ATOM 0 HB3 ARG A 126 13.018 -26.960 13.385 1.00 0.00 H new ATOM 0 HG2 ARG A 126 12.138 -28.963 12.811 1.00 0.00 H new ATOM 0 HG3 ARG A 126 10.773 -28.235 11.988 1.00 0.00 H new ATOM 0 HD2 ARG A 126 12.222 -29.536 10.443 1.00 0.00 H new ATOM 0 HD3 ARG A 126 12.102 -27.850 9.981 1.00 0.00 H new ATOM 0 HE ARG A 126 14.382 -28.093 11.655 1.00 0.00 H new ATOM 0 HH11 ARG A 126 13.228 -29.206 8.503 1.00 0.00 H new ATOM 0 HH12 ARG A 126 14.854 -29.318 7.821 1.00 0.00 H new ATOM 0 HH21 ARG A 126 16.463 -28.239 10.766 1.00 0.00 H new ATOM 0 HH22 ARG A 126 16.676 -28.773 9.096 1.00 0.00 H new ATOM 1261 N LYS A 127 10.421 -26.875 15.267 1.00 0.00 N ATOM 1262 CA LYS A 127 10.365 -26.949 16.723 1.00 0.00 C ATOM 1263 C LYS A 127 11.341 -27.995 17.252 1.00 0.00 C ATOM 1264 O LYS A 127 12.065 -28.628 16.485 1.00 0.00 O ATOM 1265 CB LYS A 127 8.945 -27.279 17.183 1.00 0.00 C ATOM 1266 CG LYS A 127 8.461 -28.649 16.737 1.00 0.00 C ATOM 1267 CD LYS A 127 8.661 -29.693 17.825 1.00 0.00 C ATOM 1268 CE LYS A 127 7.464 -30.622 17.932 1.00 0.00 C ATOM 1269 NZ LYS A 127 7.147 -31.273 16.631 1.00 0.00 N ATOM 0 H LYS A 127 9.861 -27.580 14.787 1.00 0.00 H new ATOM 0 HA LYS A 127 10.651 -25.976 17.123 1.00 0.00 H new ATOM 0 HB2 LYS A 127 8.903 -27.225 18.271 1.00 0.00 H new ATOM 0 HB3 LYS A 127 8.263 -26.520 16.800 1.00 0.00 H new ATOM 0 HG2 LYS A 127 7.405 -28.595 16.473 1.00 0.00 H new ATOM 0 HG3 LYS A 127 8.999 -28.951 15.838 1.00 0.00 H new ATOM 0 HD2 LYS A 127 9.557 -30.276 17.611 1.00 0.00 H new ATOM 0 HD3 LYS A 127 8.824 -29.197 18.782 1.00 0.00 H new ATOM 0 HE2 LYS A 127 7.665 -31.388 18.681 1.00 0.00 H new ATOM 0 HE3 LYS A 127 6.597 -30.058 18.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 6.504 -32.075 16.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 6.690 -30.584 16.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 8.025 -31.616 16.191 1.00 0.00 H new ATOM 1283 N SER A 128 11.351 -28.172 18.569 1.00 0.00 N ATOM 1284 CA SER A 128 12.237 -29.141 19.203 1.00 0.00 C ATOM 1285 C SER A 128 11.549 -29.817 20.385 1.00 0.00 C ATOM 1286 O SER A 128 11.556 -31.043 20.503 1.00 0.00 O ATOM 1287 CB SER A 128 13.525 -28.457 19.670 1.00 0.00 C ATOM 1288 OG SER A 128 13.277 -27.606 20.776 1.00 0.00 O ATOM 0 H SER A 128 10.756 -27.657 19.218 1.00 0.00 H new ATOM 0 HA SER A 128 12.486 -29.905 18.466 1.00 0.00 H new ATOM 0 HB2 SER A 128 14.262 -29.211 19.945 1.00 0.00 H new ATOM 0 HB3 SER A 128 13.952 -27.879 18.850 1.00 0.00 H new ATOM 0 HG SER A 128 14.115 -27.182 21.057 1.00 0.00 H new ATOM 1294 N SER A 129 10.954 -29.008 21.257 1.00 0.00 N ATOM 1295 CA SER A 129 10.260 -29.527 22.430 1.00 0.00 C ATOM 1296 C SER A 129 8.880 -30.057 22.055 1.00 0.00 C ATOM 1297 O SER A 129 8.150 -29.427 21.290 1.00 0.00 O ATOM 1298 CB SER A 129 10.130 -28.437 23.494 1.00 0.00 C ATOM 1299 OG SER A 129 9.397 -27.329 23.002 1.00 0.00 O ATOM 0 H SER A 129 10.939 -27.992 21.173 1.00 0.00 H new ATOM 0 HA SER A 129 10.847 -30.351 22.835 1.00 0.00 H new ATOM 0 HB2 SER A 129 9.634 -28.843 24.376 1.00 0.00 H new ATOM 0 HB3 SER A 129 11.122 -28.111 23.808 1.00 0.00 H new ATOM 0 HG SER A 129 9.326 -26.647 23.702 1.00 0.00 H new ATOM 1305 N GLY A 130 8.529 -31.219 22.599 1.00 0.00 N ATOM 1306 CA GLY A 130 7.238 -31.813 22.309 1.00 0.00 C ATOM 1307 C GLY A 130 6.289 -31.741 23.489 1.00 0.00 C ATOM 1308 O GLY A 130 5.179 -31.223 23.370 1.00 0.00 O ATOM 0 H GLY A 130 9.116 -31.759 23.235 1.00 0.00 H new ATOM 0 HA2 GLY A 130 6.791 -31.304 21.455 1.00 0.00 H new ATOM 0 HA3 GLY A 130 7.377 -32.855 22.022 1.00 0.00 H new ATOM 1312 N GLU A 131 6.726 -32.264 24.631 1.00 0.00 N ATOM 1313 CA GLU A 131 5.907 -32.257 25.837 1.00 0.00 C ATOM 1314 C GLU A 131 5.743 -30.839 26.376 1.00 0.00 C ATOM 1315 O GLU A 131 4.593 -30.444 26.659 1.00 0.00 O ATOM 1316 CB GLU A 131 6.532 -33.154 26.907 1.00 0.00 C ATOM 1317 CG GLU A 131 6.266 -34.634 26.690 1.00 0.00 C ATOM 1318 CD GLU A 131 6.136 -35.401 27.992 1.00 0.00 C ATOM 1319 OE1 GLU A 131 5.436 -34.910 28.902 1.00 0.00 O ATOM 1320 OE2 GLU A 131 6.733 -36.491 28.100 1.00 0.00 O ATOM 0 H GLU A 131 7.642 -32.698 24.746 1.00 0.00 H new ATOM 0 HA GLU A 131 4.921 -32.643 25.579 1.00 0.00 H new ATOM 0 HB2 GLU A 131 7.609 -32.986 26.927 1.00 0.00 H new ATOM 0 HB3 GLU A 131 6.146 -32.863 27.884 1.00 0.00 H new ATOM 0 HG2 GLU A 131 5.351 -34.754 26.109 1.00 0.00 H new ATOM 0 HG3 GLU A 131 7.076 -35.062 26.100 1.00 0.00 H new TER 1327 GLU A 131 HETATM 1328 ZN ZN A 138 -9.384 14.155 3.202 1.00 0.00 ZN HETATM 1329 ZN ZN A 139 0.481 0.034 -3.864 1.00 0.00 ZN