USER MOD reduce.3.24.130724 H: found=0, std=0, add=503, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 497 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 102 HIS HD1 : A 102 HIS ND1 : A 1 ZNZN :(H bumps) USER MOD NoAdj-H: A 140 HIS HD1 : A 140 HIS ND1 : A 2 ZNZN :(H bumps) USER MOD Set 1.1: A 155 HIS : no HD1:sc= -4.33! C(o=-4!,f=-5.8!) USER MOD Set 1.2: A 156 THR OG1 : rot 27:sc= 0.359 USER MOD Set 2.1: A 113 THR OG1 : rot 180:sc= -0.0827 USER MOD Set 2.2: A 128 GLN : amide:sc= -13.2! C(o=-13!,f=-19!) USER MOD Set 3.1: A 107 HIS : no HE2:sc= -5.61! C(o=-6.5!,f=-7.5!) USER MOD Set 3.2: A 109 TYR OH : rot 180:sc= -0.935 USER MOD Single : A 94 GLN : amide:sc= -0.303 X(o=-0.3,f=-0.12) USER MOD Single : A 95 THR OG1 : rot 180:sc= -0.0346 USER MOD Single : A 100 ASN : amide:sc= -0.0512 X(o=-0.051,f=-0.033) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 SER OG : rot 180:sc= -0.0925 USER MOD Single : A 110 SER OG : rot 71:sc= 1.07 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 117 HIS : no HD1:sc= -0.0479 X(o=-0.048,f=-0.48) USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 123 TYR OH : rot 180:sc= -0.155 USER MOD Single : A 127 HIS : no HD1:sc=-0.00516 X(o=-0.0052,f=-0.0055) USER MOD Single : A 130 MET CE :methyl -140:sc= -1.84! (180deg=-3.05!) USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 133 SER OG : rot -170:sc= -0.798 USER MOD Single : A 134 CYS SG : rot -121:sc= 0.331 USER MOD Single : A 137 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 138 ASN : amide:sc= -0.0604 K(o=-0.06,f=-0.67) USER MOD Single : A 146 SER OG : rot 180:sc= 0 USER MOD Single : A 149 SER OG : rot 180:sc= -0.938 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 94 -14.223 17.549 4.527 1.00 0.00 N ATOM 2 CA GLN A 94 -13.784 17.040 5.857 1.00 0.00 C ATOM 3 C GLN A 94 -14.912 16.220 6.486 1.00 0.00 C ATOM 4 O GLN A 94 -15.101 16.225 7.686 1.00 0.00 O ATOM 5 CB GLN A 94 -13.443 18.221 6.768 1.00 0.00 C ATOM 6 CG GLN A 94 -11.979 18.617 6.566 1.00 0.00 C ATOM 7 CD GLN A 94 -11.077 17.653 7.338 1.00 0.00 C ATOM 8 OE1 GLN A 94 -10.159 17.083 6.782 1.00 0.00 O ATOM 9 NE2 GLN A 94 -11.300 17.444 8.607 1.00 0.00 N ATOM 0 HA GLN A 94 -12.903 16.411 5.733 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -14.093 19.066 6.544 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -13.617 17.952 7.810 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -11.729 18.595 5.505 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -11.817 19.638 6.911 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -12.070 17.922 9.075 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -10.704 16.803 9.131 1.00 0.00 H new ATOM 17 N THR A 95 -15.662 15.514 5.685 1.00 0.00 N ATOM 18 CA THR A 95 -16.777 14.693 6.237 1.00 0.00 C ATOM 19 C THR A 95 -17.102 13.560 5.263 1.00 0.00 C ATOM 20 O THR A 95 -17.345 12.437 5.660 1.00 0.00 O ATOM 21 CB THR A 95 -18.015 15.573 6.427 1.00 0.00 C ATOM 22 OG1 THR A 95 -18.402 16.119 5.174 1.00 0.00 O ATOM 23 CG2 THR A 95 -17.696 16.706 7.404 1.00 0.00 C ATOM 0 H THR A 95 -15.551 15.470 4.672 1.00 0.00 H new ATOM 0 HA THR A 95 -16.479 14.274 7.198 1.00 0.00 H new ATOM 0 HB THR A 95 -18.830 14.971 6.829 1.00 0.00 H new ATOM 0 HG1 THR A 95 -19.196 16.681 5.293 1.00 0.00 H new ATOM 0 HG21 THR A 95 -18.579 17.331 7.537 1.00 0.00 H new ATOM 0 HG22 THR A 95 -17.401 16.285 8.365 1.00 0.00 H new ATOM 0 HG23 THR A 95 -16.881 17.310 7.007 1.00 0.00 H new ATOM 31 N ASP A 96 -17.108 13.844 3.990 1.00 0.00 N ATOM 32 CA ASP A 96 -17.417 12.784 2.990 1.00 0.00 C ATOM 33 C ASP A 96 -16.178 11.914 2.770 1.00 0.00 C ATOM 34 O ASP A 96 -15.072 12.406 2.665 1.00 0.00 O ATOM 35 CB ASP A 96 -17.825 13.435 1.667 1.00 0.00 C ATOM 36 CG ASP A 96 -19.192 14.103 1.828 1.00 0.00 C ATOM 37 OD1 ASP A 96 -20.124 13.415 2.209 1.00 0.00 O ATOM 38 OD2 ASP A 96 -19.283 15.291 1.568 1.00 0.00 O ATOM 0 H ASP A 96 -16.912 14.765 3.599 1.00 0.00 H new ATOM 0 HA ASP A 96 -18.235 12.165 3.358 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -17.081 14.173 1.368 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -17.866 12.685 0.877 1.00 0.00 H new ATOM 43 N ASP A 97 -16.354 10.623 2.698 1.00 0.00 N ATOM 44 CA ASP A 97 -15.188 9.721 2.484 1.00 0.00 C ATOM 45 C ASP A 97 -15.192 9.218 1.034 1.00 0.00 C ATOM 46 O ASP A 97 -15.983 8.367 0.682 1.00 0.00 O ATOM 47 CB ASP A 97 -15.292 8.525 3.433 1.00 0.00 C ATOM 48 CG ASP A 97 -13.948 8.311 4.132 1.00 0.00 C ATOM 49 OD1 ASP A 97 -13.597 9.132 4.963 1.00 0.00 O ATOM 50 OD2 ASP A 97 -13.293 7.328 3.825 1.00 0.00 O ATOM 0 H ASP A 97 -17.256 10.154 2.778 1.00 0.00 H new ATOM 0 HA ASP A 97 -14.265 10.266 2.680 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -16.074 8.700 4.171 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -15.572 7.630 2.878 1.00 0.00 H new ATOM 55 N PRO A 98 -14.306 9.759 0.235 1.00 0.00 N ATOM 56 CA PRO A 98 -14.187 9.379 -1.184 1.00 0.00 C ATOM 57 C PRO A 98 -13.472 8.031 -1.316 1.00 0.00 C ATOM 58 O PRO A 98 -13.080 7.427 -0.338 1.00 0.00 O ATOM 59 CB PRO A 98 -13.350 10.508 -1.791 1.00 0.00 C ATOM 60 CG PRO A 98 -12.574 11.153 -0.619 1.00 0.00 C ATOM 61 CD PRO A 98 -13.343 10.794 0.666 1.00 0.00 C ATOM 0 HA PRO A 98 -15.150 9.260 -1.680 1.00 0.00 H new ATOM 0 HB2 PRO A 98 -12.664 10.121 -2.545 1.00 0.00 H new ATOM 0 HB3 PRO A 98 -13.987 11.241 -2.286 1.00 0.00 H new ATOM 0 HG2 PRO A 98 -11.552 10.777 -0.577 1.00 0.00 H new ATOM 0 HG3 PRO A 98 -12.511 12.234 -0.744 1.00 0.00 H new ATOM 0 HD2 PRO A 98 -12.673 10.417 1.439 1.00 0.00 H new ATOM 0 HD3 PRO A 98 -13.852 11.664 1.081 1.00 0.00 H new ATOM 69 N ARG A 99 -13.300 7.556 -2.519 1.00 0.00 N ATOM 70 CA ARG A 99 -12.614 6.248 -2.712 1.00 0.00 C ATOM 71 C ARG A 99 -11.708 6.325 -3.942 1.00 0.00 C ATOM 72 O ARG A 99 -12.166 6.514 -5.052 1.00 0.00 O ATOM 73 CB ARG A 99 -13.658 5.150 -2.918 1.00 0.00 C ATOM 74 CG ARG A 99 -14.667 5.598 -3.977 1.00 0.00 C ATOM 75 CD ARG A 99 -16.061 5.093 -3.602 1.00 0.00 C ATOM 76 NE ARG A 99 -16.864 6.218 -3.045 1.00 0.00 N ATOM 77 CZ ARG A 99 -17.755 5.988 -2.119 1.00 0.00 C ATOM 78 NH1 ARG A 99 -18.441 4.878 -2.135 1.00 0.00 N ATOM 79 NH2 ARG A 99 -17.962 6.869 -1.179 1.00 0.00 N ATOM 0 H ARG A 99 -13.605 8.017 -3.376 1.00 0.00 H new ATOM 0 HA ARG A 99 -12.014 6.019 -1.831 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -13.172 4.226 -3.231 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -14.170 4.939 -1.979 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -14.671 6.685 -4.053 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -14.380 5.211 -4.955 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -16.557 4.678 -4.479 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -15.984 4.290 -2.869 1.00 0.00 H new ATOM 0 HE ARG A 99 -16.717 7.168 -3.387 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -18.281 4.190 -2.871 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -19.137 4.698 -1.412 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -17.428 7.738 -1.168 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -18.658 6.689 -0.456 1.00 0.00 H new ATOM 93 N ASN A 100 -10.425 6.180 -3.755 1.00 0.00 N ATOM 94 CA ASN A 100 -9.491 6.245 -4.905 1.00 0.00 C ATOM 95 C ASN A 100 -8.584 5.011 -4.880 1.00 0.00 C ATOM 96 O ASN A 100 -9.034 3.904 -4.660 1.00 0.00 O ATOM 97 CB ASN A 100 -8.656 7.523 -4.797 1.00 0.00 C ATOM 98 CG ASN A 100 -9.587 8.736 -4.724 1.00 0.00 C ATOM 99 OD1 ASN A 100 -9.485 9.540 -3.820 1.00 0.00 O ATOM 100 ND2 ASN A 100 -10.496 8.901 -5.645 1.00 0.00 N ATOM 0 H ASN A 100 -9.985 6.019 -2.849 1.00 0.00 H new ATOM 0 HA ASN A 100 -10.044 6.261 -5.844 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -8.023 7.483 -3.910 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -7.993 7.611 -5.658 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -11.121 9.706 -5.606 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -10.581 8.225 -6.404 1.00 0.00 H new ATOM 107 N LYS A 101 -7.318 5.191 -5.106 1.00 0.00 N ATOM 108 CA LYS A 101 -6.383 4.029 -5.098 1.00 0.00 C ATOM 109 C LYS A 101 -5.985 3.700 -3.658 1.00 0.00 C ATOM 110 O LYS A 101 -6.352 4.391 -2.728 1.00 0.00 O ATOM 111 CB LYS A 101 -5.130 4.376 -5.905 1.00 0.00 C ATOM 112 CG LYS A 101 -5.526 5.181 -7.146 1.00 0.00 C ATOM 113 CD LYS A 101 -5.041 6.624 -6.995 1.00 0.00 C ATOM 114 CE LYS A 101 -3.516 6.665 -7.107 1.00 0.00 C ATOM 115 NZ LYS A 101 -3.121 7.652 -8.152 1.00 0.00 N ATOM 0 H LYS A 101 -6.885 6.094 -5.297 1.00 0.00 H new ATOM 0 HA LYS A 101 -6.877 3.166 -5.544 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -4.437 4.952 -5.291 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -4.611 3.464 -6.201 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -5.090 4.731 -8.038 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -6.608 5.162 -7.275 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -5.490 7.252 -7.765 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -5.356 7.026 -6.032 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -3.077 6.940 -6.148 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -3.133 5.677 -7.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -2.084 7.680 -8.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -3.528 7.371 -9.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -3.475 8.594 -7.891 1.00 0.00 H new ATOM 129 N HIS A 102 -5.235 2.649 -3.466 1.00 0.00 N ATOM 130 CA HIS A 102 -4.813 2.276 -2.086 1.00 0.00 C ATOM 131 C HIS A 102 -4.348 3.525 -1.337 1.00 0.00 C ATOM 132 O HIS A 102 -3.902 4.488 -1.930 1.00 0.00 O ATOM 133 CB HIS A 102 -3.654 1.278 -2.154 1.00 0.00 C ATOM 134 CG HIS A 102 -4.095 0.032 -2.868 1.00 0.00 C ATOM 135 ND1 HIS A 102 -4.726 -1.012 -2.211 1.00 0.00 N ATOM 136 CD2 HIS A 102 -3.992 -0.358 -4.180 1.00 0.00 C ATOM 137 CE1 HIS A 102 -4.976 -1.972 -3.121 1.00 0.00 C ATOM 138 NE2 HIS A 102 -4.549 -1.624 -4.338 1.00 0.00 N ATOM 0 H HIS A 102 -4.896 2.033 -4.205 1.00 0.00 H new ATOM 0 HA HIS A 102 -5.657 1.825 -1.565 1.00 0.00 H new ATOM 0 HB2 HIS A 102 -2.807 1.725 -2.674 1.00 0.00 H new ATOM 0 HB3 HIS A 102 -3.316 1.031 -1.148 1.00 0.00 H new ATOM 0 HD2 HIS A 102 -3.546 0.228 -4.970 1.00 0.00 H new ATOM 0 HE1 HIS A 102 -5.462 -2.909 -2.895 1.00 0.00 H new ATOM 0 HE2 HIS A 102 -4.617 -2.169 -5.198 1.00 0.00 H new ATOM 145 N LYS A 103 -4.436 3.512 -0.036 1.00 0.00 N ATOM 146 CA LYS A 103 -3.985 4.691 0.754 1.00 0.00 C ATOM 147 C LYS A 103 -2.536 4.468 1.188 1.00 0.00 C ATOM 148 O LYS A 103 -2.187 4.639 2.339 1.00 0.00 O ATOM 149 CB LYS A 103 -4.872 4.849 1.990 1.00 0.00 C ATOM 150 CG LYS A 103 -4.598 6.204 2.645 1.00 0.00 C ATOM 151 CD LYS A 103 -5.873 7.050 2.617 1.00 0.00 C ATOM 152 CE LYS A 103 -6.312 7.263 1.167 1.00 0.00 C ATOM 153 NZ LYS A 103 -6.057 8.677 0.773 1.00 0.00 N ATOM 0 H LYS A 103 -4.801 2.735 0.515 1.00 0.00 H new ATOM 0 HA LYS A 103 -4.055 5.593 0.147 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -5.922 4.775 1.709 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -4.674 4.044 2.698 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -4.265 6.062 3.673 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -3.795 6.719 2.118 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -6.664 6.553 3.178 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -5.695 8.011 3.099 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -5.767 6.587 0.508 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -7.371 7.029 1.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -6.355 8.822 -0.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -6.596 9.313 1.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -5.042 8.884 0.861 1.00 0.00 H new ATOM 167 N PHE A 104 -1.696 4.072 0.272 1.00 0.00 N ATOM 168 CA PHE A 104 -0.268 3.818 0.617 1.00 0.00 C ATOM 169 C PHE A 104 0.247 4.901 1.567 1.00 0.00 C ATOM 170 O PHE A 104 -0.051 6.069 1.419 1.00 0.00 O ATOM 171 CB PHE A 104 0.574 3.828 -0.660 1.00 0.00 C ATOM 172 CG PHE A 104 0.087 2.752 -1.602 1.00 0.00 C ATOM 173 CD1 PHE A 104 -0.132 1.451 -1.130 1.00 0.00 C ATOM 174 CD2 PHE A 104 -0.141 3.055 -2.952 1.00 0.00 C ATOM 175 CE1 PHE A 104 -0.580 0.454 -2.007 1.00 0.00 C ATOM 176 CE2 PHE A 104 -0.588 2.058 -3.828 1.00 0.00 C ATOM 177 CZ PHE A 104 -0.807 0.757 -3.356 1.00 0.00 C ATOM 0 H PHE A 104 -1.938 3.912 -0.706 1.00 0.00 H new ATOM 0 HA PHE A 104 -0.190 2.847 1.106 1.00 0.00 H new ATOM 0 HB2 PHE A 104 0.508 4.803 -1.142 1.00 0.00 H new ATOM 0 HB3 PHE A 104 1.623 3.663 -0.416 1.00 0.00 H new ATOM 0 HD1 PHE A 104 0.044 1.217 -0.091 1.00 0.00 H new ATOM 0 HD2 PHE A 104 0.028 4.058 -3.316 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -0.750 -0.548 -1.643 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -0.764 2.292 -4.868 1.00 0.00 H new ATOM 0 HZ PHE A 104 -1.151 -0.012 -4.032 1.00 0.00 H new ATOM 187 N ARG A 105 1.032 4.516 2.537 1.00 0.00 N ATOM 188 CA ARG A 105 1.586 5.510 3.498 1.00 0.00 C ATOM 189 C ARG A 105 2.955 5.022 3.974 1.00 0.00 C ATOM 190 O ARG A 105 3.073 3.973 4.575 1.00 0.00 O ATOM 191 CB ARG A 105 0.645 5.649 4.697 1.00 0.00 C ATOM 192 CG ARG A 105 0.194 4.262 5.158 1.00 0.00 C ATOM 193 CD ARG A 105 -0.195 4.317 6.636 1.00 0.00 C ATOM 194 NE ARG A 105 0.097 3.004 7.276 1.00 0.00 N ATOM 195 CZ ARG A 105 -0.111 2.840 8.554 1.00 0.00 C ATOM 196 NH1 ARG A 105 -0.887 3.666 9.199 1.00 0.00 N ATOM 197 NH2 ARG A 105 0.458 1.850 9.186 1.00 0.00 N ATOM 0 H ARG A 105 1.314 3.550 2.705 1.00 0.00 H new ATOM 0 HA ARG A 105 1.685 6.480 3.011 1.00 0.00 H new ATOM 0 HB2 ARG A 105 1.151 6.167 5.511 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -0.221 6.252 4.425 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -0.653 3.926 4.560 1.00 0.00 H new ATOM 0 HG3 ARG A 105 0.996 3.539 5.009 1.00 0.00 H new ATOM 0 HD2 ARG A 105 0.358 5.110 7.139 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -1.254 4.555 6.736 1.00 0.00 H new ATOM 0 HE ARG A 105 0.460 2.233 6.715 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -1.331 4.440 8.705 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -1.050 3.538 10.198 1.00 0.00 H new ATOM 0 HH21 ARG A 105 1.065 1.204 8.681 1.00 0.00 H new ATOM 0 HH22 ARG A 105 0.295 1.722 10.185 1.00 0.00 H new ATOM 211 N LEU A 106 3.994 5.765 3.702 1.00 0.00 N ATOM 212 CA LEU A 106 5.347 5.325 4.132 1.00 0.00 C ATOM 213 C LEU A 106 5.397 5.232 5.659 1.00 0.00 C ATOM 214 O LEU A 106 5.136 6.188 6.362 1.00 0.00 O ATOM 215 CB LEU A 106 6.397 6.322 3.626 1.00 0.00 C ATOM 216 CG LEU A 106 6.394 7.576 4.501 1.00 0.00 C ATOM 217 CD1 LEU A 106 7.414 8.580 3.961 1.00 0.00 C ATOM 218 CD2 LEU A 106 5.002 8.208 4.485 1.00 0.00 C ATOM 0 H LEU A 106 3.962 6.654 3.202 1.00 0.00 H new ATOM 0 HA LEU A 106 5.561 4.342 3.712 1.00 0.00 H new ATOM 0 HB2 LEU A 106 7.385 5.861 3.641 1.00 0.00 H new ATOM 0 HB3 LEU A 106 6.186 6.591 2.591 1.00 0.00 H new ATOM 0 HG LEU A 106 6.658 7.303 5.523 1.00 0.00 H new ATOM 0 HD11 LEU A 106 7.411 9.473 4.585 1.00 0.00 H new ATOM 0 HD12 LEU A 106 8.408 8.132 3.974 1.00 0.00 H new ATOM 0 HD13 LEU A 106 7.151 8.851 2.938 1.00 0.00 H new ATOM 0 HD21 LEU A 106 5.001 9.102 5.109 1.00 0.00 H new ATOM 0 HD22 LEU A 106 4.737 8.479 3.463 1.00 0.00 H new ATOM 0 HD23 LEU A 106 4.274 7.495 4.872 1.00 0.00 H new ATOM 230 N HIS A 107 5.730 4.082 6.175 1.00 0.00 N ATOM 231 CA HIS A 107 5.803 3.918 7.656 1.00 0.00 C ATOM 232 C HIS A 107 7.265 3.943 8.093 1.00 0.00 C ATOM 233 O HIS A 107 8.151 4.226 7.312 1.00 0.00 O ATOM 234 CB HIS A 107 5.172 2.584 8.057 1.00 0.00 C ATOM 235 CG HIS A 107 4.109 2.826 9.093 1.00 0.00 C ATOM 236 ND1 HIS A 107 4.307 2.542 10.436 1.00 0.00 N ATOM 237 CD2 HIS A 107 2.833 3.327 9.000 1.00 0.00 C ATOM 238 CE1 HIS A 107 3.178 2.871 11.090 1.00 0.00 C ATOM 239 NE2 HIS A 107 2.247 3.354 10.262 1.00 0.00 N ATOM 0 H HIS A 107 5.955 3.246 5.635 1.00 0.00 H new ATOM 0 HA HIS A 107 5.262 4.731 8.140 1.00 0.00 H new ATOM 0 HB2 HIS A 107 4.740 2.096 7.183 1.00 0.00 H new ATOM 0 HB3 HIS A 107 5.934 1.913 8.452 1.00 0.00 H new ATOM 0 HD1 HIS A 107 5.154 2.154 10.852 1.00 0.00 H new ATOM 0 HD2 HIS A 107 2.357 3.651 8.086 1.00 0.00 H new ATOM 0 HE1 HIS A 107 3.041 2.758 12.155 1.00 0.00 H new ATOM 247 N SER A 108 7.528 3.660 9.336 1.00 0.00 N ATOM 248 CA SER A 108 8.940 3.678 9.816 1.00 0.00 C ATOM 249 C SER A 108 9.162 2.581 10.861 1.00 0.00 C ATOM 250 O SER A 108 8.799 2.724 12.012 1.00 0.00 O ATOM 251 CB SER A 108 9.244 5.040 10.441 1.00 0.00 C ATOM 252 OG SER A 108 8.610 6.058 9.678 1.00 0.00 O ATOM 0 H SER A 108 6.831 3.418 10.040 1.00 0.00 H new ATOM 0 HA SER A 108 9.603 3.500 8.970 1.00 0.00 H new ATOM 0 HB2 SER A 108 8.890 5.068 11.471 1.00 0.00 H new ATOM 0 HB3 SER A 108 10.321 5.208 10.470 1.00 0.00 H new ATOM 0 HG SER A 108 8.801 6.933 10.077 1.00 0.00 H new ATOM 258 N TYR A 109 9.773 1.492 10.473 1.00 0.00 N ATOM 259 CA TYR A 109 10.038 0.396 11.448 1.00 0.00 C ATOM 260 C TYR A 109 11.544 0.317 11.706 1.00 0.00 C ATOM 261 O TYR A 109 11.993 0.207 12.830 1.00 0.00 O ATOM 262 CB TYR A 109 9.563 -0.946 10.878 1.00 0.00 C ATOM 263 CG TYR A 109 8.380 -0.737 9.963 1.00 0.00 C ATOM 264 CD1 TYR A 109 7.126 -0.419 10.499 1.00 0.00 C ATOM 265 CD2 TYR A 109 8.536 -0.871 8.576 1.00 0.00 C ATOM 266 CE1 TYR A 109 6.027 -0.234 9.649 1.00 0.00 C ATOM 267 CE2 TYR A 109 7.437 -0.687 7.727 1.00 0.00 C ATOM 268 CZ TYR A 109 6.183 -0.369 8.263 1.00 0.00 C ATOM 269 OH TYR A 109 5.101 -0.187 7.426 1.00 0.00 O ATOM 0 H TYR A 109 10.099 1.315 9.523 1.00 0.00 H new ATOM 0 HA TYR A 109 9.501 0.603 12.374 1.00 0.00 H new ATOM 0 HB2 TYR A 109 10.375 -1.424 10.330 1.00 0.00 H new ATOM 0 HB3 TYR A 109 9.288 -1.618 11.691 1.00 0.00 H new ATOM 0 HD1 TYR A 109 7.006 -0.316 11.567 1.00 0.00 H new ATOM 0 HD2 TYR A 109 9.503 -1.116 8.162 1.00 0.00 H new ATOM 0 HE1 TYR A 109 5.060 0.013 10.062 1.00 0.00 H new ATOM 0 HE2 TYR A 109 7.557 -0.790 6.659 1.00 0.00 H new ATOM 0 HH TYR A 109 5.382 -0.316 6.496 1.00 0.00 H new ATOM 279 N SER A 110 12.324 0.367 10.662 1.00 0.00 N ATOM 280 CA SER A 110 13.804 0.291 10.813 1.00 0.00 C ATOM 281 C SER A 110 14.409 -0.081 9.460 1.00 0.00 C ATOM 282 O SER A 110 15.186 0.656 8.887 1.00 0.00 O ATOM 283 CB SER A 110 14.162 -0.777 11.847 1.00 0.00 C ATOM 284 OG SER A 110 14.486 -0.147 13.080 1.00 0.00 O ATOM 0 H SER A 110 11.995 0.458 9.701 1.00 0.00 H new ATOM 0 HA SER A 110 14.196 1.251 11.148 1.00 0.00 H new ATOM 0 HB2 SER A 110 13.325 -1.462 11.984 1.00 0.00 H new ATOM 0 HB3 SER A 110 15.006 -1.371 11.496 1.00 0.00 H new ATOM 0 HG SER A 110 13.673 0.224 13.482 1.00 0.00 H new ATOM 290 N SER A 111 14.034 -1.216 8.937 1.00 0.00 N ATOM 291 CA SER A 111 14.556 -1.641 7.609 1.00 0.00 C ATOM 292 C SER A 111 13.393 -1.637 6.616 1.00 0.00 C ATOM 293 O SER A 111 12.253 -1.781 7.010 1.00 0.00 O ATOM 294 CB SER A 111 15.137 -3.052 7.711 1.00 0.00 C ATOM 295 OG SER A 111 16.299 -3.024 8.529 1.00 0.00 O ATOM 0 H SER A 111 13.385 -1.870 9.375 1.00 0.00 H new ATOM 0 HA SER A 111 15.340 -0.960 7.277 1.00 0.00 H new ATOM 0 HB2 SER A 111 14.397 -3.732 8.133 1.00 0.00 H new ATOM 0 HB3 SER A 111 15.386 -3.428 6.719 1.00 0.00 H new ATOM 0 HG SER A 111 16.673 -3.927 8.598 1.00 0.00 H new ATOM 301 N PRO A 112 13.708 -1.467 5.360 1.00 0.00 N ATOM 302 CA PRO A 112 12.693 -1.432 4.296 1.00 0.00 C ATOM 303 C PRO A 112 12.153 -2.834 4.017 1.00 0.00 C ATOM 304 O PRO A 112 12.882 -3.806 4.012 1.00 0.00 O ATOM 305 CB PRO A 112 13.448 -0.866 3.091 1.00 0.00 C ATOM 306 CG PRO A 112 14.949 -1.121 3.358 1.00 0.00 C ATOM 307 CD PRO A 112 15.097 -1.306 4.882 1.00 0.00 C ATOM 0 HA PRO A 112 11.821 -0.832 4.555 1.00 0.00 H new ATOM 0 HB2 PRO A 112 13.129 -1.353 2.169 1.00 0.00 H new ATOM 0 HB3 PRO A 112 13.250 0.199 2.974 1.00 0.00 H new ATOM 0 HG2 PRO A 112 15.293 -2.007 2.824 1.00 0.00 H new ATOM 0 HG3 PRO A 112 15.553 -0.284 3.008 1.00 0.00 H new ATOM 0 HD2 PRO A 112 15.705 -2.179 5.121 1.00 0.00 H new ATOM 0 HD3 PRO A 112 15.580 -0.445 5.343 1.00 0.00 H new ATOM 315 N THR A 113 10.873 -2.941 3.788 1.00 0.00 N ATOM 316 CA THR A 113 10.271 -4.273 3.512 1.00 0.00 C ATOM 317 C THR A 113 10.335 -4.538 2.012 1.00 0.00 C ATOM 318 O THR A 113 10.721 -3.685 1.240 1.00 0.00 O ATOM 319 CB THR A 113 8.811 -4.276 3.973 1.00 0.00 C ATOM 320 OG1 THR A 113 8.659 -3.376 5.062 1.00 0.00 O ATOM 321 CG2 THR A 113 8.416 -5.684 4.419 1.00 0.00 C ATOM 0 H THR A 113 10.217 -2.160 3.780 1.00 0.00 H new ATOM 0 HA THR A 113 10.818 -5.049 4.048 1.00 0.00 H new ATOM 0 HB THR A 113 8.170 -3.965 3.148 1.00 0.00 H new ATOM 0 HG1 THR A 113 7.725 -3.375 5.358 1.00 0.00 H new ATOM 0 HG21 THR A 113 7.376 -5.684 4.747 1.00 0.00 H new ATOM 0 HG22 THR A 113 8.533 -6.376 3.585 1.00 0.00 H new ATOM 0 HG23 THR A 113 9.056 -5.997 5.244 1.00 0.00 H new ATOM 329 N PHE A 114 9.970 -5.710 1.588 1.00 0.00 N ATOM 330 CA PHE A 114 10.032 -6.015 0.133 1.00 0.00 C ATOM 331 C PHE A 114 8.828 -5.392 -0.577 1.00 0.00 C ATOM 332 O PHE A 114 7.827 -5.074 0.034 1.00 0.00 O ATOM 333 CB PHE A 114 10.022 -7.530 -0.072 1.00 0.00 C ATOM 334 CG PHE A 114 11.383 -8.092 0.262 1.00 0.00 C ATOM 335 CD1 PHE A 114 11.843 -8.074 1.585 1.00 0.00 C ATOM 336 CD2 PHE A 114 12.186 -8.632 -0.752 1.00 0.00 C ATOM 337 CE1 PHE A 114 13.106 -8.596 1.895 1.00 0.00 C ATOM 338 CE2 PHE A 114 13.449 -9.155 -0.442 1.00 0.00 C ATOM 339 CZ PHE A 114 13.909 -9.137 0.882 1.00 0.00 C ATOM 0 H PHE A 114 9.633 -6.469 2.181 1.00 0.00 H new ATOM 0 HA PHE A 114 10.949 -5.599 -0.284 1.00 0.00 H new ATOM 0 HB2 PHE A 114 9.262 -7.988 0.561 1.00 0.00 H new ATOM 0 HB3 PHE A 114 9.762 -7.766 -1.104 1.00 0.00 H new ATOM 0 HD1 PHE A 114 11.224 -7.658 2.366 1.00 0.00 H new ATOM 0 HD2 PHE A 114 11.832 -8.645 -1.772 1.00 0.00 H new ATOM 0 HE1 PHE A 114 13.461 -8.581 2.915 1.00 0.00 H new ATOM 0 HE2 PHE A 114 14.068 -9.572 -1.223 1.00 0.00 H new ATOM 0 HZ PHE A 114 14.882 -9.540 1.121 1.00 0.00 H new ATOM 349 N CYS A 115 8.929 -5.207 -1.864 1.00 0.00 N ATOM 350 CA CYS A 115 7.808 -4.593 -2.629 1.00 0.00 C ATOM 351 C CYS A 115 6.883 -5.694 -3.158 1.00 0.00 C ATOM 352 O CYS A 115 7.317 -6.777 -3.495 1.00 0.00 O ATOM 353 CB CYS A 115 8.395 -3.787 -3.787 1.00 0.00 C ATOM 354 SG CYS A 115 7.072 -3.058 -4.779 1.00 0.00 S ATOM 0 H CYS A 115 9.745 -5.457 -2.422 1.00 0.00 H new ATOM 0 HA CYS A 115 7.226 -3.934 -1.985 1.00 0.00 H new ATOM 0 HB2 CYS A 115 9.044 -3.001 -3.400 1.00 0.00 H new ATOM 0 HB3 CYS A 115 9.013 -4.432 -4.411 1.00 0.00 H new ATOM 359 N ASP A 116 5.606 -5.427 -3.214 1.00 0.00 N ATOM 360 CA ASP A 116 4.641 -6.461 -3.698 1.00 0.00 C ATOM 361 C ASP A 116 4.415 -6.321 -5.206 1.00 0.00 C ATOM 362 O ASP A 116 3.946 -7.232 -5.858 1.00 0.00 O ATOM 363 CB ASP A 116 3.305 -6.284 -2.973 1.00 0.00 C ATOM 364 CG ASP A 116 2.849 -4.829 -3.093 1.00 0.00 C ATOM 365 OD1 ASP A 116 3.290 -4.164 -4.016 1.00 0.00 O ATOM 366 OD2 ASP A 116 2.066 -4.403 -2.260 1.00 0.00 O ATOM 0 H ASP A 116 5.187 -4.537 -2.945 1.00 0.00 H new ATOM 0 HA ASP A 116 5.053 -7.449 -3.492 1.00 0.00 H new ATOM 0 HB2 ASP A 116 2.555 -6.948 -3.403 1.00 0.00 H new ATOM 0 HB3 ASP A 116 3.410 -6.558 -1.923 1.00 0.00 H new ATOM 371 N HIS A 117 4.733 -5.189 -5.766 1.00 0.00 N ATOM 372 CA HIS A 117 4.521 -4.999 -7.228 1.00 0.00 C ATOM 373 C HIS A 117 5.761 -5.460 -7.999 1.00 0.00 C ATOM 374 O HIS A 117 5.660 -5.983 -9.091 1.00 0.00 O ATOM 375 CB HIS A 117 4.265 -3.519 -7.519 1.00 0.00 C ATOM 376 CG HIS A 117 4.199 -3.305 -9.006 1.00 0.00 C ATOM 377 ND1 HIS A 117 3.096 -3.677 -9.757 1.00 0.00 N ATOM 378 CD2 HIS A 117 5.093 -2.761 -9.895 1.00 0.00 C ATOM 379 CE1 HIS A 117 3.351 -3.355 -11.038 1.00 0.00 C ATOM 380 NE2 HIS A 117 4.555 -2.794 -11.178 1.00 0.00 N ATOM 0 H HIS A 117 5.130 -4.387 -5.276 1.00 0.00 H new ATOM 0 HA HIS A 117 3.661 -5.589 -7.543 1.00 0.00 H new ATOM 0 HB2 HIS A 117 3.332 -3.202 -7.053 1.00 0.00 H new ATOM 0 HB3 HIS A 117 5.059 -2.910 -7.088 1.00 0.00 H new ATOM 0 HD2 HIS A 117 6.065 -2.368 -9.638 1.00 0.00 H new ATOM 0 HE1 HIS A 117 2.665 -3.529 -11.854 1.00 0.00 H new ATOM 0 HE2 HIS A 117 4.987 -2.461 -12.040 1.00 0.00 H new ATOM 388 N CYS A 118 6.930 -5.272 -7.449 1.00 0.00 N ATOM 389 CA CYS A 118 8.159 -5.708 -8.173 1.00 0.00 C ATOM 390 C CYS A 118 8.881 -6.791 -7.368 1.00 0.00 C ATOM 391 O CYS A 118 9.748 -7.475 -7.874 1.00 0.00 O ATOM 392 CB CYS A 118 9.088 -4.509 -8.374 1.00 0.00 C ATOM 393 SG CYS A 118 9.488 -3.777 -6.770 1.00 0.00 S ATOM 0 H CYS A 118 7.087 -4.840 -6.539 1.00 0.00 H new ATOM 0 HA CYS A 118 7.878 -6.115 -9.144 1.00 0.00 H new ATOM 0 HB2 CYS A 118 10.001 -4.824 -8.879 1.00 0.00 H new ATOM 0 HB3 CYS A 118 8.609 -3.768 -9.014 1.00 0.00 H new ATOM 398 N GLY A 119 8.533 -6.959 -6.121 1.00 0.00 N ATOM 399 CA GLY A 119 9.204 -8.005 -5.297 1.00 0.00 C ATOM 400 C GLY A 119 10.648 -7.587 -5.009 1.00 0.00 C ATOM 401 O GLY A 119 11.514 -8.415 -4.805 1.00 0.00 O ATOM 0 H GLY A 119 7.815 -6.419 -5.638 1.00 0.00 H new ATOM 0 HA2 GLY A 119 8.663 -8.147 -4.362 1.00 0.00 H new ATOM 0 HA3 GLY A 119 9.189 -8.960 -5.822 1.00 0.00 H new ATOM 405 N SER A 120 10.915 -6.310 -4.990 1.00 0.00 N ATOM 406 CA SER A 120 12.304 -5.844 -4.714 1.00 0.00 C ATOM 407 C SER A 120 12.322 -5.046 -3.408 1.00 0.00 C ATOM 408 O SER A 120 11.453 -4.236 -3.154 1.00 0.00 O ATOM 409 CB SER A 120 12.780 -4.954 -5.862 1.00 0.00 C ATOM 410 OG SER A 120 12.961 -5.747 -7.028 1.00 0.00 O ATOM 0 H SER A 120 10.233 -5.570 -5.153 1.00 0.00 H new ATOM 0 HA SER A 120 12.966 -6.705 -4.624 1.00 0.00 H new ATOM 0 HB2 SER A 120 12.051 -4.167 -6.053 1.00 0.00 H new ATOM 0 HB3 SER A 120 13.716 -4.463 -5.593 1.00 0.00 H new ATOM 0 HG SER A 120 13.265 -5.179 -7.766 1.00 0.00 H new ATOM 416 N LEU A 121 13.305 -5.266 -2.576 1.00 0.00 N ATOM 417 CA LEU A 121 13.373 -4.515 -1.291 1.00 0.00 C ATOM 418 C LEU A 121 13.052 -3.041 -1.535 1.00 0.00 C ATOM 419 O LEU A 121 13.278 -2.512 -2.605 1.00 0.00 O ATOM 420 CB LEU A 121 14.775 -4.636 -0.692 1.00 0.00 C ATOM 421 CG LEU A 121 14.829 -5.840 0.248 1.00 0.00 C ATOM 422 CD1 LEU A 121 16.281 -6.287 0.421 1.00 0.00 C ATOM 423 CD2 LEU A 121 14.250 -5.444 1.610 1.00 0.00 C ATOM 0 H LEU A 121 14.062 -5.932 -2.731 1.00 0.00 H new ATOM 0 HA LEU A 121 12.645 -4.935 -0.597 1.00 0.00 H new ATOM 0 HB2 LEU A 121 15.512 -4.749 -1.487 1.00 0.00 H new ATOM 0 HB3 LEU A 121 15.029 -3.726 -0.149 1.00 0.00 H new ATOM 0 HG LEU A 121 14.246 -6.659 -0.173 1.00 0.00 H new ATOM 0 HD11 LEU A 121 16.320 -7.146 1.091 1.00 0.00 H new ATOM 0 HD12 LEU A 121 16.694 -6.565 -0.549 1.00 0.00 H new ATOM 0 HD13 LEU A 121 16.865 -5.470 0.844 1.00 0.00 H new ATOM 0 HD21 LEU A 121 14.287 -6.300 2.284 1.00 0.00 H new ATOM 0 HD22 LEU A 121 14.835 -4.626 2.030 1.00 0.00 H new ATOM 0 HD23 LEU A 121 13.216 -5.124 1.486 1.00 0.00 H new ATOM 435 N LEU A 122 12.525 -2.377 -0.546 1.00 0.00 N ATOM 436 CA LEU A 122 12.185 -0.935 -0.706 1.00 0.00 C ATOM 437 C LEU A 122 13.424 -0.083 -0.421 1.00 0.00 C ATOM 438 O LEU A 122 13.460 0.680 0.524 1.00 0.00 O ATOM 439 CB LEU A 122 11.076 -0.562 0.279 1.00 0.00 C ATOM 440 CG LEU A 122 9.785 -1.291 -0.099 1.00 0.00 C ATOM 441 CD1 LEU A 122 8.950 -1.536 1.159 1.00 0.00 C ATOM 442 CD2 LEU A 122 8.985 -0.432 -1.081 1.00 0.00 C ATOM 0 H LEU A 122 12.314 -2.772 0.371 1.00 0.00 H new ATOM 0 HA LEU A 122 11.845 -0.753 -1.726 1.00 0.00 H new ATOM 0 HB2 LEU A 122 11.372 -0.829 1.293 1.00 0.00 H new ATOM 0 HB3 LEU A 122 10.913 0.516 0.268 1.00 0.00 H new ATOM 0 HG LEU A 122 10.030 -2.246 -0.564 1.00 0.00 H new ATOM 0 HD11 LEU A 122 8.030 -2.055 0.890 1.00 0.00 H new ATOM 0 HD12 LEU A 122 9.519 -2.146 1.860 1.00 0.00 H new ATOM 0 HD13 LEU A 122 8.705 -0.581 1.625 1.00 0.00 H new ATOM 0 HD21 LEU A 122 8.065 -0.950 -1.351 1.00 0.00 H new ATOM 0 HD22 LEU A 122 8.741 0.522 -0.614 1.00 0.00 H new ATOM 0 HD23 LEU A 122 9.579 -0.256 -1.978 1.00 0.00 H new ATOM 454 N TYR A 123 14.442 -0.206 -1.229 1.00 0.00 N ATOM 455 CA TYR A 123 15.676 0.599 -1.001 1.00 0.00 C ATOM 456 C TYR A 123 15.802 1.661 -2.094 1.00 0.00 C ATOM 457 O TYR A 123 15.280 1.513 -3.181 1.00 0.00 O ATOM 458 CB TYR A 123 16.899 -0.320 -1.042 1.00 0.00 C ATOM 459 CG TYR A 123 17.176 -0.854 0.342 1.00 0.00 C ATOM 460 CD1 TYR A 123 17.573 0.018 1.364 1.00 0.00 C ATOM 461 CD2 TYR A 123 17.039 -2.224 0.605 1.00 0.00 C ATOM 462 CE1 TYR A 123 17.833 -0.478 2.648 1.00 0.00 C ATOM 463 CE2 TYR A 123 17.298 -2.721 1.889 1.00 0.00 C ATOM 464 CZ TYR A 123 17.695 -1.848 2.911 1.00 0.00 C ATOM 465 OH TYR A 123 17.951 -2.338 4.175 1.00 0.00 O ATOM 0 H TYR A 123 14.473 -0.829 -2.036 1.00 0.00 H new ATOM 0 HA TYR A 123 15.617 1.085 -0.027 1.00 0.00 H new ATOM 0 HB2 TYR A 123 16.724 -1.145 -1.733 1.00 0.00 H new ATOM 0 HB3 TYR A 123 17.766 0.227 -1.412 1.00 0.00 H new ATOM 0 HD1 TYR A 123 17.679 1.074 1.162 1.00 0.00 H new ATOM 0 HD2 TYR A 123 16.734 -2.897 -0.183 1.00 0.00 H new ATOM 0 HE1 TYR A 123 18.140 0.195 3.435 1.00 0.00 H new ATOM 0 HE2 TYR A 123 17.192 -3.777 2.091 1.00 0.00 H new ATOM 0 HH TYR A 123 17.806 -3.307 4.186 1.00 0.00 H new ATOM 475 N GLY A 124 16.493 2.733 -1.816 1.00 0.00 N ATOM 476 CA GLY A 124 16.654 3.803 -2.841 1.00 0.00 C ATOM 477 C GLY A 124 15.301 4.104 -3.488 1.00 0.00 C ATOM 478 O GLY A 124 15.229 4.565 -4.610 1.00 0.00 O ATOM 0 H GLY A 124 16.953 2.914 -0.924 1.00 0.00 H new ATOM 0 HA2 GLY A 124 17.056 4.705 -2.379 1.00 0.00 H new ATOM 0 HA3 GLY A 124 17.369 3.488 -3.601 1.00 0.00 H new ATOM 482 N LEU A 125 14.226 3.850 -2.792 1.00 0.00 N ATOM 483 CA LEU A 125 12.883 4.125 -3.377 1.00 0.00 C ATOM 484 C LEU A 125 11.975 4.751 -2.315 1.00 0.00 C ATOM 485 O LEU A 125 11.191 5.634 -2.602 1.00 0.00 O ATOM 486 CB LEU A 125 12.263 2.817 -3.873 1.00 0.00 C ATOM 487 CG LEU A 125 12.667 2.580 -5.330 1.00 0.00 C ATOM 488 CD1 LEU A 125 12.041 1.277 -5.829 1.00 0.00 C ATOM 489 CD2 LEU A 125 12.173 3.743 -6.194 1.00 0.00 C ATOM 0 H LEU A 125 14.220 3.465 -1.847 1.00 0.00 H new ATOM 0 HA LEU A 125 12.990 4.817 -4.213 1.00 0.00 H new ATOM 0 HB2 LEU A 125 12.597 1.986 -3.252 1.00 0.00 H new ATOM 0 HB3 LEU A 125 11.177 2.862 -3.788 1.00 0.00 H new ATOM 0 HG LEU A 125 13.753 2.512 -5.397 1.00 0.00 H new ATOM 0 HD11 LEU A 125 12.329 1.109 -6.867 1.00 0.00 H new ATOM 0 HD12 LEU A 125 12.392 0.447 -5.216 1.00 0.00 H new ATOM 0 HD13 LEU A 125 10.955 1.345 -5.760 1.00 0.00 H new ATOM 0 HD21 LEU A 125 12.461 3.574 -7.231 1.00 0.00 H new ATOM 0 HD22 LEU A 125 11.087 3.812 -6.125 1.00 0.00 H new ATOM 0 HD23 LEU A 125 12.618 4.673 -5.841 1.00 0.00 H new ATOM 501 N VAL A 126 12.068 4.303 -1.092 1.00 0.00 N ATOM 502 CA VAL A 126 11.201 4.881 -0.026 1.00 0.00 C ATOM 503 C VAL A 126 11.917 4.800 1.324 1.00 0.00 C ATOM 504 O VAL A 126 12.600 3.839 1.619 1.00 0.00 O ATOM 505 CB VAL A 126 9.888 4.099 0.040 1.00 0.00 C ATOM 506 CG1 VAL A 126 9.285 3.996 -1.362 1.00 0.00 C ATOM 507 CG2 VAL A 126 10.158 2.693 0.580 1.00 0.00 C ATOM 0 H VAL A 126 12.703 3.566 -0.786 1.00 0.00 H new ATOM 0 HA VAL A 126 10.991 5.925 -0.257 1.00 0.00 H new ATOM 0 HB VAL A 126 9.191 4.616 0.700 1.00 0.00 H new ATOM 0 HG11 VAL A 126 8.349 3.439 -1.316 1.00 0.00 H new ATOM 0 HG12 VAL A 126 9.093 4.996 -1.750 1.00 0.00 H new ATOM 0 HG13 VAL A 126 9.983 3.479 -2.021 1.00 0.00 H new ATOM 0 HG21 VAL A 126 9.223 2.136 0.627 1.00 0.00 H new ATOM 0 HG22 VAL A 126 10.855 2.177 -0.081 1.00 0.00 H new ATOM 0 HG23 VAL A 126 10.589 2.763 1.579 1.00 0.00 H new ATOM 517 N HIS A 127 11.764 5.802 2.148 1.00 0.00 N ATOM 518 CA HIS A 127 12.432 5.784 3.481 1.00 0.00 C ATOM 519 C HIS A 127 12.277 4.398 4.108 1.00 0.00 C ATOM 520 O HIS A 127 13.207 3.848 4.665 1.00 0.00 O ATOM 521 CB HIS A 127 11.775 6.826 4.390 1.00 0.00 C ATOM 522 CG HIS A 127 12.468 6.835 5.726 1.00 0.00 C ATOM 523 ND1 HIS A 127 11.770 6.919 6.920 1.00 0.00 N ATOM 524 CD2 HIS A 127 13.795 6.770 6.071 1.00 0.00 C ATOM 525 CE1 HIS A 127 12.672 6.902 7.919 1.00 0.00 C ATOM 526 NE2 HIS A 127 13.921 6.812 7.456 1.00 0.00 N ATOM 0 H HIS A 127 11.205 6.633 1.955 1.00 0.00 H new ATOM 0 HA HIS A 127 13.491 6.015 3.362 1.00 0.00 H new ATOM 0 HB2 HIS A 127 11.834 7.813 3.931 1.00 0.00 H new ATOM 0 HB3 HIS A 127 10.717 6.597 4.519 1.00 0.00 H new ATOM 0 HD2 HIS A 127 14.616 6.697 5.373 1.00 0.00 H new ATOM 0 HE1 HIS A 127 12.417 6.955 8.967 1.00 0.00 H new ATOM 0 HE2 HIS A 127 14.783 6.781 8.001 1.00 0.00 H new ATOM 534 N GLN A 128 11.105 3.835 4.025 1.00 0.00 N ATOM 535 CA GLN A 128 10.877 2.488 4.617 1.00 0.00 C ATOM 536 C GLN A 128 10.029 1.656 3.653 1.00 0.00 C ATOM 537 O GLN A 128 10.509 0.741 3.014 1.00 0.00 O ATOM 538 CB GLN A 128 10.139 2.651 5.951 1.00 0.00 C ATOM 539 CG GLN A 128 9.488 1.326 6.362 1.00 0.00 C ATOM 540 CD GLN A 128 10.481 0.184 6.155 1.00 0.00 C ATOM 541 OE1 GLN A 128 11.669 0.359 6.338 1.00 0.00 O ATOM 542 NE2 GLN A 128 10.043 -0.985 5.774 1.00 0.00 N ATOM 0 H GLN A 128 10.292 4.251 3.571 1.00 0.00 H new ATOM 0 HA GLN A 128 11.829 1.984 4.787 1.00 0.00 H new ATOM 0 HB2 GLN A 128 10.836 2.977 6.723 1.00 0.00 H new ATOM 0 HB3 GLN A 128 9.378 3.426 5.861 1.00 0.00 H new ATOM 0 HG2 GLN A 128 9.180 1.369 7.407 1.00 0.00 H new ATOM 0 HG3 GLN A 128 8.589 1.152 5.771 1.00 0.00 H new ATOM 0 HE21 GLN A 128 9.045 -1.131 5.621 1.00 0.00 H new ATOM 0 HE22 GLN A 128 10.699 -1.753 5.630 1.00 0.00 H new ATOM 551 N GLY A 129 8.770 1.972 3.546 1.00 0.00 N ATOM 552 CA GLY A 129 7.878 1.213 2.627 1.00 0.00 C ATOM 553 C GLY A 129 6.491 1.853 2.649 1.00 0.00 C ATOM 554 O GLY A 129 6.031 2.313 3.674 1.00 0.00 O ATOM 0 H GLY A 129 8.317 2.728 4.059 1.00 0.00 H new ATOM 0 HA2 GLY A 129 8.282 1.223 1.615 1.00 0.00 H new ATOM 0 HA3 GLY A 129 7.817 0.169 2.936 1.00 0.00 H new ATOM 558 N MET A 130 5.820 1.896 1.532 1.00 0.00 N ATOM 559 CA MET A 130 4.469 2.520 1.513 1.00 0.00 C ATOM 560 C MET A 130 3.413 1.460 1.823 1.00 0.00 C ATOM 561 O MET A 130 3.025 0.685 0.971 1.00 0.00 O ATOM 562 CB MET A 130 4.202 3.120 0.130 1.00 0.00 C ATOM 563 CG MET A 130 5.511 3.652 -0.456 1.00 0.00 C ATOM 564 SD MET A 130 6.308 4.751 0.742 1.00 0.00 S ATOM 565 CE MET A 130 5.330 6.230 0.381 1.00 0.00 C ATOM 0 H MET A 130 6.146 1.529 0.638 1.00 0.00 H new ATOM 0 HA MET A 130 4.423 3.308 2.265 1.00 0.00 H new ATOM 0 HB2 MET A 130 3.776 2.364 -0.530 1.00 0.00 H new ATOM 0 HB3 MET A 130 3.471 3.925 0.206 1.00 0.00 H new ATOM 0 HG2 MET A 130 6.175 2.823 -0.702 1.00 0.00 H new ATOM 0 HG3 MET A 130 5.314 4.190 -1.384 1.00 0.00 H new ATOM 0 HE1 MET A 130 5.977 7.107 0.395 1.00 0.00 H new ATOM 0 HE2 MET A 130 4.873 6.133 -0.604 1.00 0.00 H new ATOM 0 HE3 MET A 130 4.550 6.343 1.134 1.00 0.00 H new ATOM 575 N LYS A 131 2.944 1.420 3.040 1.00 0.00 N ATOM 576 CA LYS A 131 1.915 0.410 3.408 1.00 0.00 C ATOM 577 C LYS A 131 0.520 1.005 3.213 1.00 0.00 C ATOM 578 O LYS A 131 0.222 2.084 3.686 1.00 0.00 O ATOM 579 CB LYS A 131 2.093 0.007 4.871 1.00 0.00 C ATOM 580 CG LYS A 131 1.154 -1.157 5.195 1.00 0.00 C ATOM 581 CD LYS A 131 1.765 -2.013 6.305 1.00 0.00 C ATOM 582 CE LYS A 131 0.711 -2.285 7.380 1.00 0.00 C ATOM 583 NZ LYS A 131 1.220 -3.318 8.325 1.00 0.00 N ATOM 0 H LYS A 131 3.230 2.044 3.795 1.00 0.00 H new ATOM 0 HA LYS A 131 2.029 -0.468 2.772 1.00 0.00 H new ATOM 0 HB2 LYS A 131 3.127 -0.283 5.057 1.00 0.00 H new ATOM 0 HB3 LYS A 131 1.878 0.854 5.522 1.00 0.00 H new ATOM 0 HG2 LYS A 131 0.182 -0.777 5.508 1.00 0.00 H new ATOM 0 HG3 LYS A 131 0.988 -1.763 4.304 1.00 0.00 H new ATOM 0 HD2 LYS A 131 2.131 -2.954 5.893 1.00 0.00 H new ATOM 0 HD3 LYS A 131 2.622 -1.502 6.743 1.00 0.00 H new ATOM 0 HE2 LYS A 131 0.480 -1.366 7.919 1.00 0.00 H new ATOM 0 HE3 LYS A 131 -0.216 -2.625 6.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 0.504 -3.503 9.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 1.419 -4.196 7.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 2.093 -2.977 8.775 1.00 0.00 H new ATOM 597 N CYS A 132 -0.336 0.306 2.524 1.00 0.00 N ATOM 598 CA CYS A 132 -1.713 0.824 2.301 1.00 0.00 C ATOM 599 C CYS A 132 -2.459 0.858 3.634 1.00 0.00 C ATOM 600 O CYS A 132 -2.614 -0.150 4.296 1.00 0.00 O ATOM 601 CB CYS A 132 -2.450 -0.095 1.325 1.00 0.00 C ATOM 602 SG CYS A 132 -4.183 0.413 1.208 1.00 0.00 S ATOM 0 H CYS A 132 -0.141 -0.603 2.105 1.00 0.00 H new ATOM 0 HA CYS A 132 -1.665 1.830 1.884 1.00 0.00 H new ATOM 0 HB2 CYS A 132 -1.980 -0.051 0.342 1.00 0.00 H new ATOM 0 HB3 CYS A 132 -2.385 -1.129 1.663 1.00 0.00 H new ATOM 607 N SER A 133 -2.918 2.011 4.036 1.00 0.00 N ATOM 608 CA SER A 133 -3.651 2.113 5.330 1.00 0.00 C ATOM 609 C SER A 133 -5.122 1.742 5.122 1.00 0.00 C ATOM 610 O SER A 133 -6.013 2.403 5.618 1.00 0.00 O ATOM 611 CB SER A 133 -3.557 3.545 5.856 1.00 0.00 C ATOM 612 OG SER A 133 -3.206 3.518 7.233 1.00 0.00 O ATOM 0 H SER A 133 -2.817 2.888 3.524 1.00 0.00 H new ATOM 0 HA SER A 133 -3.205 1.428 6.052 1.00 0.00 H new ATOM 0 HB2 SER A 133 -2.812 4.104 5.290 1.00 0.00 H new ATOM 0 HB3 SER A 133 -4.510 4.057 5.722 1.00 0.00 H new ATOM 0 HG SER A 133 -3.298 4.417 7.612 1.00 0.00 H new ATOM 618 N CYS A 134 -5.385 0.691 4.394 1.00 0.00 N ATOM 619 CA CYS A 134 -6.797 0.281 4.158 1.00 0.00 C ATOM 620 C CYS A 134 -6.863 -1.237 3.974 1.00 0.00 C ATOM 621 O CYS A 134 -7.762 -1.892 4.463 1.00 0.00 O ATOM 622 CB CYS A 134 -7.325 0.972 2.899 1.00 0.00 C ATOM 623 SG CYS A 134 -9.000 0.383 2.546 1.00 0.00 S ATOM 0 H CYS A 134 -4.682 0.099 3.952 1.00 0.00 H new ATOM 0 HA CYS A 134 -7.408 0.570 5.013 1.00 0.00 H new ATOM 0 HB2 CYS A 134 -7.330 2.053 3.039 1.00 0.00 H new ATOM 0 HB3 CYS A 134 -6.669 0.763 2.054 1.00 0.00 H new ATOM 0 HG CYS A 134 -9.029 -0.159 1.365 1.00 0.00 H new ATOM 629 N CYS A 135 -5.918 -1.802 3.270 1.00 0.00 N ATOM 630 CA CYS A 135 -5.933 -3.278 3.055 1.00 0.00 C ATOM 631 C CYS A 135 -4.569 -3.872 3.424 1.00 0.00 C ATOM 632 O CYS A 135 -4.389 -5.074 3.424 1.00 0.00 O ATOM 633 CB CYS A 135 -6.240 -3.575 1.584 1.00 0.00 C ATOM 634 SG CYS A 135 -4.813 -3.134 0.559 1.00 0.00 S ATOM 0 H CYS A 135 -5.139 -1.307 2.836 1.00 0.00 H new ATOM 0 HA CYS A 135 -6.700 -3.726 3.686 1.00 0.00 H new ATOM 0 HB2 CYS A 135 -6.477 -4.631 1.458 1.00 0.00 H new ATOM 0 HB3 CYS A 135 -7.117 -3.011 1.265 1.00 0.00 H new ATOM 639 N GLU A 136 -3.608 -3.045 3.735 1.00 0.00 N ATOM 640 CA GLU A 136 -2.262 -3.572 4.099 1.00 0.00 C ATOM 641 C GLU A 136 -1.528 -4.019 2.832 1.00 0.00 C ATOM 642 O GLU A 136 -1.504 -5.186 2.494 1.00 0.00 O ATOM 643 CB GLU A 136 -2.419 -4.763 5.047 1.00 0.00 C ATOM 644 CG GLU A 136 -3.580 -4.502 6.008 1.00 0.00 C ATOM 645 CD GLU A 136 -3.134 -4.797 7.442 1.00 0.00 C ATOM 646 OE1 GLU A 136 -2.144 -5.491 7.602 1.00 0.00 O ATOM 647 OE2 GLU A 136 -3.792 -4.326 8.355 1.00 0.00 O ATOM 0 H GLU A 136 -3.697 -2.029 3.753 1.00 0.00 H new ATOM 0 HA GLU A 136 -1.687 -2.789 4.593 1.00 0.00 H new ATOM 0 HB2 GLU A 136 -2.603 -5.673 4.477 1.00 0.00 H new ATOM 0 HB3 GLU A 136 -1.497 -4.919 5.608 1.00 0.00 H new ATOM 0 HG2 GLU A 136 -3.909 -3.466 5.924 1.00 0.00 H new ATOM 0 HG3 GLU A 136 -4.432 -5.129 5.745 1.00 0.00 H new ATOM 654 N MET A 137 -0.929 -3.097 2.130 1.00 0.00 N ATOM 655 CA MET A 137 -0.194 -3.459 0.884 1.00 0.00 C ATOM 656 C MET A 137 1.099 -2.642 0.805 1.00 0.00 C ATOM 657 O MET A 137 1.075 -1.435 0.681 1.00 0.00 O ATOM 658 CB MET A 137 -1.073 -3.147 -0.330 1.00 0.00 C ATOM 659 CG MET A 137 -0.748 -4.120 -1.463 1.00 0.00 C ATOM 660 SD MET A 137 -2.283 -4.840 -2.098 1.00 0.00 S ATOM 661 CE MET A 137 -1.728 -5.092 -3.802 1.00 0.00 C ATOM 0 H MET A 137 -0.917 -2.105 2.366 1.00 0.00 H new ATOM 0 HA MET A 137 0.048 -4.522 0.894 1.00 0.00 H new ATOM 0 HB2 MET A 137 -2.126 -3.227 -0.059 1.00 0.00 H new ATOM 0 HB3 MET A 137 -0.905 -2.121 -0.659 1.00 0.00 H new ATOM 0 HG2 MET A 137 -0.219 -3.601 -2.262 1.00 0.00 H new ATOM 0 HG3 MET A 137 -0.086 -4.907 -1.102 1.00 0.00 H new ATOM 0 HE1 MET A 137 -2.534 -5.536 -4.385 1.00 0.00 H new ATOM 0 HE2 MET A 137 -1.449 -4.133 -4.239 1.00 0.00 H new ATOM 0 HE3 MET A 137 -0.865 -5.758 -3.809 1.00 0.00 H new ATOM 671 N ASN A 138 2.231 -3.287 0.883 1.00 0.00 N ATOM 672 CA ASN A 138 3.518 -2.535 0.824 1.00 0.00 C ATOM 673 C ASN A 138 3.974 -2.393 -0.630 1.00 0.00 C ATOM 674 O ASN A 138 4.063 -3.358 -1.363 1.00 0.00 O ATOM 675 CB ASN A 138 4.584 -3.292 1.620 1.00 0.00 C ATOM 676 CG ASN A 138 4.159 -3.377 3.087 1.00 0.00 C ATOM 677 OD1 ASN A 138 3.254 -4.113 3.428 1.00 0.00 O ATOM 678 ND2 ASN A 138 4.779 -2.650 3.976 1.00 0.00 N ATOM 0 H ASN A 138 2.321 -4.298 0.985 1.00 0.00 H new ATOM 0 HA ASN A 138 3.374 -1.543 1.252 1.00 0.00 H new ATOM 0 HB2 ASN A 138 4.717 -4.293 1.210 1.00 0.00 H new ATOM 0 HB3 ASN A 138 5.545 -2.784 1.537 1.00 0.00 H new ATOM 0 HD21 ASN A 138 4.504 -2.700 4.957 1.00 0.00 H new ATOM 0 HD22 ASN A 138 5.539 -2.032 3.690 1.00 0.00 H new ATOM 685 N VAL A 139 4.265 -1.190 -1.051 1.00 0.00 N ATOM 686 CA VAL A 139 4.716 -0.978 -2.454 1.00 0.00 C ATOM 687 C VAL A 139 5.826 0.077 -2.486 1.00 0.00 C ATOM 688 O VAL A 139 6.185 0.649 -1.473 1.00 0.00 O ATOM 689 CB VAL A 139 3.536 -0.500 -3.303 1.00 0.00 C ATOM 690 CG1 VAL A 139 2.566 -1.660 -3.527 1.00 0.00 C ATOM 691 CG2 VAL A 139 2.810 0.636 -2.577 1.00 0.00 C ATOM 0 H VAL A 139 4.209 -0.346 -0.482 1.00 0.00 H new ATOM 0 HA VAL A 139 5.098 -1.917 -2.855 1.00 0.00 H new ATOM 0 HB VAL A 139 3.904 -0.141 -4.264 1.00 0.00 H new ATOM 0 HG11 VAL A 139 1.725 -1.320 -4.132 1.00 0.00 H new ATOM 0 HG12 VAL A 139 3.081 -2.470 -4.044 1.00 0.00 H new ATOM 0 HG13 VAL A 139 2.199 -2.019 -2.565 1.00 0.00 H new ATOM 0 HG21 VAL A 139 1.970 0.976 -3.182 1.00 0.00 H new ATOM 0 HG22 VAL A 139 2.443 0.277 -1.615 1.00 0.00 H new ATOM 0 HG23 VAL A 139 3.500 1.464 -2.416 1.00 0.00 H new ATOM 701 N HIS A 140 6.369 0.337 -3.645 1.00 0.00 N ATOM 702 CA HIS A 140 7.454 1.353 -3.757 1.00 0.00 C ATOM 703 C HIS A 140 6.834 2.743 -3.910 1.00 0.00 C ATOM 704 O HIS A 140 5.648 2.928 -3.726 1.00 0.00 O ATOM 705 CB HIS A 140 8.309 1.047 -4.990 1.00 0.00 C ATOM 706 CG HIS A 140 9.396 0.074 -4.627 1.00 0.00 C ATOM 707 ND1 HIS A 140 9.463 -1.195 -5.179 1.00 0.00 N ATOM 708 CD2 HIS A 140 10.471 0.172 -3.779 1.00 0.00 C ATOM 709 CE1 HIS A 140 10.546 -1.805 -4.662 1.00 0.00 C ATOM 710 NE2 HIS A 140 11.196 -1.016 -3.803 1.00 0.00 N ATOM 0 H HIS A 140 6.106 -0.113 -4.522 1.00 0.00 H new ATOM 0 HA HIS A 140 8.074 1.324 -2.861 1.00 0.00 H new ATOM 0 HB2 HIS A 140 7.686 0.631 -5.782 1.00 0.00 H new ATOM 0 HB3 HIS A 140 8.746 1.967 -5.378 1.00 0.00 H new ATOM 0 HD2 HIS A 140 10.717 1.039 -3.184 1.00 0.00 H new ATOM 0 HE1 HIS A 140 10.852 -2.810 -4.912 1.00 0.00 H new ATOM 0 HE2 HIS A 140 12.042 -1.236 -3.277 1.00 0.00 H new ATOM 717 N ARG A 141 7.628 3.721 -4.253 1.00 0.00 N ATOM 718 CA ARG A 141 7.087 5.095 -4.427 1.00 0.00 C ATOM 719 C ARG A 141 6.821 5.340 -5.915 1.00 0.00 C ATOM 720 O ARG A 141 6.109 6.250 -6.288 1.00 0.00 O ATOM 721 CB ARG A 141 8.111 6.109 -3.905 1.00 0.00 C ATOM 722 CG ARG A 141 7.781 7.502 -4.442 1.00 0.00 C ATOM 723 CD ARG A 141 8.074 8.548 -3.364 1.00 0.00 C ATOM 724 NE ARG A 141 8.451 9.836 -4.011 1.00 0.00 N ATOM 725 CZ ARG A 141 9.670 10.289 -3.903 1.00 0.00 C ATOM 726 NH1 ARG A 141 10.023 10.969 -2.846 1.00 0.00 N ATOM 727 NH2 ARG A 141 10.537 10.063 -4.852 1.00 0.00 N ATOM 0 H ARG A 141 8.630 3.625 -4.420 1.00 0.00 H new ATOM 0 HA ARG A 141 6.157 5.206 -3.870 1.00 0.00 H new ATOM 0 HB2 ARG A 141 8.104 6.118 -2.815 1.00 0.00 H new ATOM 0 HB3 ARG A 141 9.115 5.818 -4.215 1.00 0.00 H new ATOM 0 HG2 ARG A 141 8.372 7.709 -5.334 1.00 0.00 H new ATOM 0 HG3 ARG A 141 6.732 7.551 -4.736 1.00 0.00 H new ATOM 0 HD2 ARG A 141 7.198 8.689 -2.732 1.00 0.00 H new ATOM 0 HD3 ARG A 141 8.881 8.203 -2.718 1.00 0.00 H new ATOM 0 HE ARG A 141 7.756 10.364 -4.539 1.00 0.00 H new ATOM 0 HH11 ARG A 141 9.346 11.146 -2.104 1.00 0.00 H new ATOM 0 HH12 ARG A 141 10.976 11.323 -2.762 1.00 0.00 H new ATOM 0 HH21 ARG A 141 10.262 9.532 -5.678 1.00 0.00 H new ATOM 0 HH22 ARG A 141 11.490 10.417 -4.767 1.00 0.00 H new ATOM 741 N ARG A 142 7.389 4.529 -6.766 1.00 0.00 N ATOM 742 CA ARG A 142 7.172 4.708 -8.229 1.00 0.00 C ATOM 743 C ARG A 142 6.406 3.502 -8.783 1.00 0.00 C ATOM 744 O ARG A 142 6.077 3.448 -9.952 1.00 0.00 O ATOM 745 CB ARG A 142 8.525 4.823 -8.935 1.00 0.00 C ATOM 746 CG ARG A 142 8.324 4.714 -10.448 1.00 0.00 C ATOM 747 CD ARG A 142 9.635 5.045 -11.162 1.00 0.00 C ATOM 748 NE ARG A 142 9.992 3.931 -12.085 1.00 0.00 N ATOM 749 CZ ARG A 142 10.480 4.194 -13.266 1.00 0.00 C ATOM 750 NH1 ARG A 142 11.679 4.696 -13.379 1.00 0.00 N ATOM 751 NH2 ARG A 142 9.768 3.956 -14.334 1.00 0.00 N ATOM 0 H ARG A 142 7.995 3.749 -6.510 1.00 0.00 H new ATOM 0 HA ARG A 142 6.594 5.616 -8.403 1.00 0.00 H new ATOM 0 HB2 ARG A 142 8.996 5.774 -8.688 1.00 0.00 H new ATOM 0 HB3 ARG A 142 9.195 4.036 -8.589 1.00 0.00 H new ATOM 0 HG2 ARG A 142 7.999 3.707 -10.711 1.00 0.00 H new ATOM 0 HG3 ARG A 142 7.539 5.397 -10.771 1.00 0.00 H new ATOM 0 HD2 ARG A 142 9.533 5.976 -11.720 1.00 0.00 H new ATOM 0 HD3 ARG A 142 10.431 5.197 -10.433 1.00 0.00 H new ATOM 0 HE ARG A 142 9.855 2.963 -11.794 1.00 0.00 H new ATOM 0 HH11 ARG A 142 12.234 4.883 -12.544 1.00 0.00 H new ATOM 0 HH12 ARG A 142 12.061 4.902 -14.302 1.00 0.00 H new ATOM 0 HH21 ARG A 142 8.830 3.565 -14.245 1.00 0.00 H new ATOM 0 HH22 ARG A 142 10.149 4.162 -15.257 1.00 0.00 H new ATOM 765 N CYS A 143 6.116 2.536 -7.953 1.00 0.00 N ATOM 766 CA CYS A 143 5.369 1.340 -8.435 1.00 0.00 C ATOM 767 C CYS A 143 3.867 1.588 -8.284 1.00 0.00 C ATOM 768 O CYS A 143 3.051 0.895 -8.858 1.00 0.00 O ATOM 769 CB CYS A 143 5.770 0.118 -7.604 1.00 0.00 C ATOM 770 SG CYS A 143 7.436 -0.414 -8.070 1.00 0.00 S ATOM 0 H CYS A 143 6.364 2.524 -6.964 1.00 0.00 H new ATOM 0 HA CYS A 143 5.607 1.159 -9.483 1.00 0.00 H new ATOM 0 HB2 CYS A 143 5.739 0.362 -6.542 1.00 0.00 H new ATOM 0 HB3 CYS A 143 5.060 -0.693 -7.766 1.00 0.00 H new ATOM 775 N VAL A 144 3.496 2.576 -7.515 1.00 0.00 N ATOM 776 CA VAL A 144 2.048 2.872 -7.326 1.00 0.00 C ATOM 777 C VAL A 144 1.429 3.279 -8.666 1.00 0.00 C ATOM 778 O VAL A 144 0.314 2.912 -8.981 1.00 0.00 O ATOM 779 CB VAL A 144 1.890 4.018 -6.325 1.00 0.00 C ATOM 780 CG1 VAL A 144 0.404 4.322 -6.126 1.00 0.00 C ATOM 781 CG2 VAL A 144 2.509 3.613 -4.985 1.00 0.00 C ATOM 0 H VAL A 144 4.134 3.191 -7.010 1.00 0.00 H new ATOM 0 HA VAL A 144 1.543 1.983 -6.948 1.00 0.00 H new ATOM 0 HB VAL A 144 2.395 4.905 -6.707 1.00 0.00 H new ATOM 0 HG11 VAL A 144 0.292 5.139 -5.413 1.00 0.00 H new ATOM 0 HG12 VAL A 144 -0.039 4.610 -7.079 1.00 0.00 H new ATOM 0 HG13 VAL A 144 -0.101 3.435 -5.744 1.00 0.00 H new ATOM 0 HG21 VAL A 144 2.397 4.429 -4.271 1.00 0.00 H new ATOM 0 HG22 VAL A 144 2.004 2.726 -4.604 1.00 0.00 H new ATOM 0 HG23 VAL A 144 3.568 3.396 -5.124 1.00 0.00 H new ATOM 791 N ARG A 145 2.141 4.036 -9.456 1.00 0.00 N ATOM 792 CA ARG A 145 1.588 4.467 -10.772 1.00 0.00 C ATOM 793 C ARG A 145 1.425 3.250 -11.685 1.00 0.00 C ATOM 794 O ARG A 145 0.771 3.313 -12.707 1.00 0.00 O ATOM 795 CB ARG A 145 2.543 5.469 -11.425 1.00 0.00 C ATOM 796 CG ARG A 145 1.736 6.597 -12.071 1.00 0.00 C ATOM 797 CD ARG A 145 2.455 7.930 -11.858 1.00 0.00 C ATOM 798 NE ARG A 145 1.455 9.035 -11.830 1.00 0.00 N ATOM 799 CZ ARG A 145 1.830 10.261 -12.075 1.00 0.00 C ATOM 800 NH1 ARG A 145 2.405 10.552 -13.209 1.00 0.00 N ATOM 801 NH2 ARG A 145 1.630 11.195 -11.186 1.00 0.00 N ATOM 0 H ARG A 145 3.080 4.374 -9.248 1.00 0.00 H new ATOM 0 HA ARG A 145 0.617 4.937 -10.618 1.00 0.00 H new ATOM 0 HB2 ARG A 145 3.225 5.877 -10.679 1.00 0.00 H new ATOM 0 HB3 ARG A 145 3.154 4.969 -12.176 1.00 0.00 H new ATOM 0 HG2 ARG A 145 1.613 6.405 -13.137 1.00 0.00 H new ATOM 0 HG3 ARG A 145 0.737 6.638 -11.637 1.00 0.00 H new ATOM 0 HD2 ARG A 145 3.015 7.908 -10.923 1.00 0.00 H new ATOM 0 HD3 ARG A 145 3.176 8.098 -12.658 1.00 0.00 H new ATOM 0 HE ARG A 145 0.478 8.833 -11.619 1.00 0.00 H new ATOM 0 HH11 ARG A 145 2.561 9.822 -13.904 1.00 0.00 H new ATOM 0 HH12 ARG A 145 2.698 11.510 -13.401 1.00 0.00 H new ATOM 0 HH21 ARG A 145 1.180 10.967 -10.299 1.00 0.00 H new ATOM 0 HH22 ARG A 145 1.923 12.153 -11.378 1.00 0.00 H new ATOM 815 N SER A 146 2.012 2.142 -11.326 1.00 0.00 N ATOM 816 CA SER A 146 1.886 0.924 -12.176 1.00 0.00 C ATOM 817 C SER A 146 0.740 0.056 -11.654 1.00 0.00 C ATOM 818 O SER A 146 0.148 -0.713 -12.384 1.00 0.00 O ATOM 819 CB SER A 146 3.191 0.128 -12.125 1.00 0.00 C ATOM 820 OG SER A 146 4.290 1.029 -12.092 1.00 0.00 O ATOM 0 H SER A 146 2.573 2.027 -10.482 1.00 0.00 H new ATOM 0 HA SER A 146 1.681 1.219 -13.205 1.00 0.00 H new ATOM 0 HB2 SER A 146 3.205 -0.513 -11.244 1.00 0.00 H new ATOM 0 HB3 SER A 146 3.267 -0.524 -12.995 1.00 0.00 H new ATOM 0 HG SER A 146 5.128 0.522 -12.058 1.00 0.00 H new ATOM 826 N VAL A 147 0.423 0.175 -10.394 1.00 0.00 N ATOM 827 CA VAL A 147 -0.685 -0.641 -9.822 1.00 0.00 C ATOM 828 C VAL A 147 -2.019 -0.169 -10.413 1.00 0.00 C ATOM 829 O VAL A 147 -2.225 1.014 -10.599 1.00 0.00 O ATOM 830 CB VAL A 147 -0.707 -0.464 -8.301 1.00 0.00 C ATOM 831 CG1 VAL A 147 -1.528 -1.586 -7.665 1.00 0.00 C ATOM 832 CG2 VAL A 147 0.725 -0.516 -7.763 1.00 0.00 C ATOM 0 H VAL A 147 0.884 0.803 -9.735 1.00 0.00 H new ATOM 0 HA VAL A 147 -0.533 -1.693 -10.065 1.00 0.00 H new ATOM 0 HB VAL A 147 -1.157 0.498 -8.055 1.00 0.00 H new ATOM 0 HG11 VAL A 147 -1.542 -1.458 -6.583 1.00 0.00 H new ATOM 0 HG12 VAL A 147 -2.548 -1.552 -8.048 1.00 0.00 H new ATOM 0 HG13 VAL A 147 -1.080 -2.549 -7.911 1.00 0.00 H new ATOM 0 HG21 VAL A 147 0.712 -0.390 -6.680 1.00 0.00 H new ATOM 0 HG22 VAL A 147 1.172 -1.479 -8.011 1.00 0.00 H new ATOM 0 HG23 VAL A 147 1.312 0.284 -8.214 1.00 0.00 H new ATOM 842 N PRO A 148 -2.888 -1.110 -10.692 1.00 0.00 N ATOM 843 CA PRO A 148 -4.214 -0.819 -11.266 1.00 0.00 C ATOM 844 C PRO A 148 -5.169 -0.306 -10.183 1.00 0.00 C ATOM 845 O PRO A 148 -6.342 -0.101 -10.424 1.00 0.00 O ATOM 846 CB PRO A 148 -4.676 -2.174 -11.809 1.00 0.00 C ATOM 847 CG PRO A 148 -3.877 -3.250 -11.035 1.00 0.00 C ATOM 848 CD PRO A 148 -2.631 -2.548 -10.463 1.00 0.00 C ATOM 0 HA PRO A 148 -4.188 -0.045 -12.033 1.00 0.00 H new ATOM 0 HB2 PRO A 148 -5.748 -2.306 -11.663 1.00 0.00 H new ATOM 0 HB3 PRO A 148 -4.489 -2.247 -12.880 1.00 0.00 H new ATOM 0 HG2 PRO A 148 -4.480 -3.680 -10.236 1.00 0.00 H new ATOM 0 HG3 PRO A 148 -3.591 -4.069 -11.695 1.00 0.00 H new ATOM 0 HD2 PRO A 148 -2.503 -2.766 -9.403 1.00 0.00 H new ATOM 0 HD3 PRO A 148 -1.722 -2.876 -10.968 1.00 0.00 H new ATOM 856 N SER A 149 -4.676 -0.093 -8.994 1.00 0.00 N ATOM 857 CA SER A 149 -5.553 0.412 -7.900 1.00 0.00 C ATOM 858 C SER A 149 -6.672 -0.595 -7.625 1.00 0.00 C ATOM 859 O SER A 149 -7.737 -0.529 -8.206 1.00 0.00 O ATOM 860 CB SER A 149 -6.164 1.752 -8.314 1.00 0.00 C ATOM 861 OG SER A 149 -7.256 2.054 -7.456 1.00 0.00 O ATOM 0 H SER A 149 -3.702 -0.247 -8.732 1.00 0.00 H new ATOM 0 HA SER A 149 -4.959 0.545 -6.996 1.00 0.00 H new ATOM 0 HB2 SER A 149 -5.413 2.540 -8.258 1.00 0.00 H new ATOM 0 HB3 SER A 149 -6.502 1.707 -9.349 1.00 0.00 H new ATOM 0 HG SER A 149 -7.649 2.913 -7.717 1.00 0.00 H new ATOM 867 N LEU A 150 -6.442 -1.522 -6.736 1.00 0.00 N ATOM 868 CA LEU A 150 -7.493 -2.528 -6.416 1.00 0.00 C ATOM 869 C LEU A 150 -7.657 -2.622 -4.897 1.00 0.00 C ATOM 870 O LEU A 150 -7.584 -3.689 -4.320 1.00 0.00 O ATOM 871 CB LEU A 150 -7.082 -3.893 -6.973 1.00 0.00 C ATOM 872 CG LEU A 150 -7.852 -4.171 -8.265 1.00 0.00 C ATOM 873 CD1 LEU A 150 -6.907 -4.042 -9.460 1.00 0.00 C ATOM 874 CD2 LEU A 150 -8.425 -5.590 -8.221 1.00 0.00 C ATOM 0 H LEU A 150 -5.570 -1.626 -6.217 1.00 0.00 H new ATOM 0 HA LEU A 150 -8.438 -2.225 -6.867 1.00 0.00 H new ATOM 0 HB2 LEU A 150 -6.009 -3.911 -7.166 1.00 0.00 H new ATOM 0 HB3 LEU A 150 -7.287 -4.673 -6.240 1.00 0.00 H new ATOM 0 HG LEU A 150 -8.665 -3.452 -8.365 1.00 0.00 H new ATOM 0 HD11 LEU A 150 -7.456 -4.240 -10.381 1.00 0.00 H new ATOM 0 HD12 LEU A 150 -6.497 -3.033 -9.492 1.00 0.00 H new ATOM 0 HD13 LEU A 150 -6.094 -4.761 -9.360 1.00 0.00 H new ATOM 0 HD21 LEU A 150 -8.974 -5.789 -9.141 1.00 0.00 H new ATOM 0 HD22 LEU A 150 -7.611 -6.308 -8.121 1.00 0.00 H new ATOM 0 HD23 LEU A 150 -9.098 -5.684 -7.369 1.00 0.00 H new ATOM 886 N CYS A 151 -7.877 -1.512 -4.246 1.00 0.00 N ATOM 887 CA CYS A 151 -8.044 -1.536 -2.764 1.00 0.00 C ATOM 888 C CYS A 151 -9.481 -1.930 -2.418 1.00 0.00 C ATOM 889 O CYS A 151 -10.373 -1.847 -3.239 1.00 0.00 O ATOM 890 CB CYS A 151 -7.744 -0.147 -2.195 1.00 0.00 C ATOM 891 SG CYS A 151 -7.372 -0.286 -0.430 1.00 0.00 S ATOM 0 H CYS A 151 -7.948 -0.590 -4.676 1.00 0.00 H new ATOM 0 HA CYS A 151 -7.355 -2.262 -2.332 1.00 0.00 H new ATOM 0 HB2 CYS A 151 -6.900 0.299 -2.721 1.00 0.00 H new ATOM 0 HB3 CYS A 151 -8.599 0.512 -2.347 1.00 0.00 H new ATOM 896 N GLY A 152 -9.713 -2.359 -1.208 1.00 0.00 N ATOM 897 CA GLY A 152 -11.092 -2.760 -0.809 1.00 0.00 C ATOM 898 C GLY A 152 -11.195 -4.286 -0.793 1.00 0.00 C ATOM 899 O GLY A 152 -12.273 -4.845 -0.748 1.00 0.00 O ATOM 0 H GLY A 152 -9.007 -2.449 -0.478 1.00 0.00 H new ATOM 0 HA2 GLY A 152 -11.328 -2.359 0.177 1.00 0.00 H new ATOM 0 HA3 GLY A 152 -11.819 -2.343 -1.506 1.00 0.00 H new ATOM 903 N VAL A 153 -10.081 -4.963 -0.831 1.00 0.00 N ATOM 904 CA VAL A 153 -10.112 -6.454 -0.818 1.00 0.00 C ATOM 905 C VAL A 153 -10.228 -6.950 0.625 1.00 0.00 C ATOM 906 O VAL A 153 -9.260 -6.983 1.359 1.00 0.00 O ATOM 907 CB VAL A 153 -8.828 -7.003 -1.442 1.00 0.00 C ATOM 908 CG1 VAL A 153 -9.122 -8.341 -2.122 1.00 0.00 C ATOM 909 CG2 VAL A 153 -8.293 -6.014 -2.482 1.00 0.00 C ATOM 0 H VAL A 153 -9.150 -4.549 -0.871 1.00 0.00 H new ATOM 0 HA VAL A 153 -10.970 -6.800 -1.394 1.00 0.00 H new ATOM 0 HB VAL A 153 -8.082 -7.145 -0.660 1.00 0.00 H new ATOM 0 HG11 VAL A 153 -8.207 -8.732 -2.567 1.00 0.00 H new ATOM 0 HG12 VAL A 153 -9.498 -9.049 -1.384 1.00 0.00 H new ATOM 0 HG13 VAL A 153 -9.871 -8.197 -2.901 1.00 0.00 H new ATOM 0 HG21 VAL A 153 -7.378 -6.410 -2.924 1.00 0.00 H new ATOM 0 HG22 VAL A 153 -9.039 -5.868 -3.263 1.00 0.00 H new ATOM 0 HG23 VAL A 153 -8.080 -5.060 -2.001 1.00 0.00 H new ATOM 919 N ASP A 154 -11.404 -7.336 1.038 1.00 0.00 N ATOM 920 CA ASP A 154 -11.578 -7.829 2.434 1.00 0.00 C ATOM 921 C ASP A 154 -11.968 -9.309 2.409 1.00 0.00 C ATOM 922 O ASP A 154 -11.921 -9.956 1.382 1.00 0.00 O ATOM 923 CB ASP A 154 -12.680 -7.024 3.125 1.00 0.00 C ATOM 924 CG ASP A 154 -12.158 -5.625 3.457 1.00 0.00 C ATOM 925 OD1 ASP A 154 -12.086 -4.810 2.552 1.00 0.00 O ATOM 926 OD2 ASP A 154 -11.841 -5.391 4.612 1.00 0.00 O ATOM 0 H ASP A 154 -12.251 -7.331 0.470 1.00 0.00 H new ATOM 0 HA ASP A 154 -10.642 -7.709 2.980 1.00 0.00 H new ATOM 0 HB2 ASP A 154 -13.554 -6.953 2.477 1.00 0.00 H new ATOM 0 HB3 ASP A 154 -12.998 -7.531 4.036 1.00 0.00 H new ATOM 931 N HIS A 155 -12.355 -9.849 3.533 1.00 0.00 N ATOM 932 CA HIS A 155 -12.749 -11.285 3.574 1.00 0.00 C ATOM 933 C HIS A 155 -14.196 -11.402 4.055 1.00 0.00 C ATOM 934 O HIS A 155 -14.896 -10.418 4.190 1.00 0.00 O ATOM 935 CB HIS A 155 -11.830 -12.040 4.537 1.00 0.00 C ATOM 936 CG HIS A 155 -11.973 -11.467 5.920 1.00 0.00 C ATOM 937 ND1 HIS A 155 -12.579 -12.167 6.952 1.00 0.00 N ATOM 938 CD2 HIS A 155 -11.593 -10.262 6.457 1.00 0.00 C ATOM 939 CE1 HIS A 155 -12.546 -11.384 8.046 1.00 0.00 C ATOM 940 NE2 HIS A 155 -11.956 -10.212 7.799 1.00 0.00 N ATOM 0 H HIS A 155 -12.415 -9.357 4.424 1.00 0.00 H new ATOM 0 HA HIS A 155 -12.661 -11.714 2.576 1.00 0.00 H new ATOM 0 HB2 HIS A 155 -12.084 -13.100 4.543 1.00 0.00 H new ATOM 0 HB3 HIS A 155 -10.795 -11.962 4.205 1.00 0.00 H new ATOM 0 HD2 HIS A 155 -11.089 -9.473 5.919 1.00 0.00 H new ATOM 0 HE1 HIS A 155 -12.948 -11.669 9.007 1.00 0.00 H new ATOM 0 HE2 HIS A 155 -11.804 -9.445 8.454 1.00 0.00 H new ATOM 948 N THR A 156 -14.651 -12.597 4.315 1.00 0.00 N ATOM 949 CA THR A 156 -16.053 -12.772 4.787 1.00 0.00 C ATOM 950 C THR A 156 -16.988 -11.915 3.931 1.00 0.00 C ATOM 951 O THR A 156 -17.539 -10.934 4.390 1.00 0.00 O ATOM 952 CB THR A 156 -16.156 -12.336 6.250 1.00 0.00 C ATOM 953 OG1 THR A 156 -15.626 -11.025 6.389 1.00 0.00 O ATOM 954 CG2 THR A 156 -15.364 -13.304 7.131 1.00 0.00 C ATOM 0 H THR A 156 -14.113 -13.459 4.221 1.00 0.00 H new ATOM 0 HA THR A 156 -16.339 -13.820 4.700 1.00 0.00 H new ATOM 0 HB THR A 156 -17.201 -12.341 6.558 1.00 0.00 H new ATOM 0 HG1 THR A 156 -15.718 -10.543 5.541 1.00 0.00 H new ATOM 0 HG21 THR A 156 -15.438 -12.992 8.173 1.00 0.00 H new ATOM 0 HG22 THR A 156 -15.771 -14.310 7.024 1.00 0.00 H new ATOM 0 HG23 THR A 156 -14.318 -13.301 6.825 1.00 0.00 H new ATOM 962 N GLU A 157 -17.170 -12.276 2.691 1.00 0.00 N ATOM 963 CA GLU A 157 -18.068 -11.479 1.807 1.00 0.00 C ATOM 964 C GLU A 157 -19.297 -12.312 1.439 1.00 0.00 C ATOM 965 O GLU A 157 -20.100 -11.919 0.616 1.00 0.00 O ATOM 966 CB GLU A 157 -17.315 -11.094 0.532 1.00 0.00 C ATOM 967 CG GLU A 157 -16.258 -10.038 0.860 1.00 0.00 C ATOM 968 CD GLU A 157 -15.427 -9.743 -0.390 1.00 0.00 C ATOM 969 OE1 GLU A 157 -15.823 -10.180 -1.458 1.00 0.00 O ATOM 970 OE2 GLU A 157 -14.409 -9.084 -0.258 1.00 0.00 O ATOM 0 H GLU A 157 -16.736 -13.088 2.251 1.00 0.00 H new ATOM 0 HA GLU A 157 -18.385 -10.577 2.331 1.00 0.00 H new ATOM 0 HB2 GLU A 157 -16.842 -11.974 0.097 1.00 0.00 H new ATOM 0 HB3 GLU A 157 -18.012 -10.707 -0.211 1.00 0.00 H new ATOM 0 HG2 GLU A 157 -16.738 -9.126 1.214 1.00 0.00 H new ATOM 0 HG3 GLU A 157 -15.612 -10.392 1.664 1.00 0.00 H new ATOM 977 N ARG A 158 -19.453 -13.459 2.041 1.00 0.00 N ATOM 978 CA ARG A 158 -20.631 -14.313 1.722 1.00 0.00 C ATOM 979 C ARG A 158 -21.917 -13.561 2.070 1.00 0.00 C ATOM 980 O ARG A 158 -22.878 -13.578 1.326 1.00 0.00 O ATOM 981 CB ARG A 158 -20.559 -15.606 2.537 1.00 0.00 C ATOM 982 CG ARG A 158 -19.151 -16.196 2.434 1.00 0.00 C ATOM 983 CD ARG A 158 -19.216 -17.713 2.620 1.00 0.00 C ATOM 984 NE ARG A 158 -18.151 -18.359 1.800 1.00 0.00 N ATOM 985 CZ ARG A 158 -17.799 -19.592 2.043 1.00 0.00 C ATOM 986 NH1 ARG A 158 -18.477 -20.579 1.524 1.00 0.00 N ATOM 987 NH2 ARG A 158 -16.768 -19.838 2.804 1.00 0.00 N ATOM 0 H ARG A 158 -18.816 -13.841 2.740 1.00 0.00 H new ATOM 0 HA ARG A 158 -20.628 -14.553 0.659 1.00 0.00 H new ATOM 0 HB2 ARG A 158 -20.805 -15.405 3.580 1.00 0.00 H new ATOM 0 HB3 ARG A 158 -21.293 -16.322 2.168 1.00 0.00 H new ATOM 0 HG2 ARG A 158 -18.715 -15.957 1.464 1.00 0.00 H new ATOM 0 HG3 ARG A 158 -18.504 -15.754 3.192 1.00 0.00 H new ATOM 0 HD2 ARG A 158 -19.085 -17.967 3.672 1.00 0.00 H new ATOM 0 HD3 ARG A 158 -20.196 -18.085 2.322 1.00 0.00 H new ATOM 0 HE ARG A 158 -17.698 -17.837 1.050 1.00 0.00 H new ATOM 0 HH11 ARG A 158 -19.282 -20.387 0.928 1.00 0.00 H new ATOM 0 HH12 ARG A 158 -18.202 -21.543 1.714 1.00 0.00 H new ATOM 0 HH21 ARG A 158 -16.237 -19.067 3.209 1.00 0.00 H new ATOM 0 HH22 ARG A 158 -16.493 -20.802 2.994 1.00 0.00 H new ATOM 1001 N ARG A 159 -21.945 -12.900 3.194 1.00 0.00 N ATOM 1002 CA ARG A 159 -23.170 -12.148 3.586 1.00 0.00 C ATOM 1003 C ARG A 159 -22.772 -10.794 4.177 1.00 0.00 C ATOM 1004 O ARG A 159 -22.022 -10.788 5.139 1.00 0.00 O ATOM 1005 CB ARG A 159 -23.949 -12.951 4.629 1.00 0.00 C ATOM 1006 CG ARG A 159 -23.069 -13.180 5.859 1.00 0.00 C ATOM 1007 CD ARG A 159 -23.219 -14.626 6.333 1.00 0.00 C ATOM 1008 NE ARG A 159 -22.798 -14.728 7.758 1.00 0.00 N ATOM 1009 CZ ARG A 159 -23.466 -15.488 8.582 1.00 0.00 C ATOM 1010 NH1 ARG A 159 -23.286 -16.780 8.569 1.00 0.00 N ATOM 1011 NH2 ARG A 159 -24.313 -14.955 9.420 1.00 0.00 N ATOM 0 H ARG A 159 -21.173 -12.848 3.858 1.00 0.00 H new ATOM 0 HA ARG A 159 -23.795 -11.990 2.707 1.00 0.00 H new ATOM 0 HB2 ARG A 159 -24.856 -12.416 4.912 1.00 0.00 H new ATOM 0 HB3 ARG A 159 -24.261 -13.907 4.209 1.00 0.00 H new ATOM 0 HG2 ARG A 159 -22.027 -12.972 5.617 1.00 0.00 H new ATOM 0 HG3 ARG A 159 -23.354 -12.494 6.656 1.00 0.00 H new ATOM 0 HD2 ARG A 159 -24.254 -14.950 6.224 1.00 0.00 H new ATOM 0 HD3 ARG A 159 -22.612 -15.287 5.715 1.00 0.00 H new ATOM 0 HE ARG A 159 -21.988 -14.204 8.090 1.00 0.00 H new ATOM 0 HH11 ARG A 159 -22.623 -17.196 7.915 1.00 0.00 H new ATOM 0 HH12 ARG A 159 -23.808 -17.374 9.213 1.00 0.00 H new ATOM 0 HH21 ARG A 159 -24.453 -13.945 9.431 1.00 0.00 H new ATOM 0 HH22 ARG A 159 -24.835 -15.549 10.064 1.00 0.00 H new TER 1025 ARG A 159 HETATM 1026 ZN ZN A 1 -4.823 -1.288 -0.460 1.00 0.45 ZN HETATM 1027 ZN ZN A 2 8.024 -1.929 -6.283 1.00 0.29 ZN