USER MOD reduce.3.24.130724 H: found=0, std=0, add=307, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 307 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 Set 1.1: A 130 LYS NZ :NH3+ 148:sc= 0 (180deg=0) USER MOD Set 1.2: A 132 MET CE :methyl -144:sc= -1.12 (180deg=-3.82!) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 THR OG1 : rot 40:sc= 0.00794 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 HIS : no HD1:sc= 0 X(o=0,f=-0.091) USER MOD Single : A 142 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 108 -5.225 -0.779 -4.763 1.00 0.00 N ATOM 2 CA VAL A 108 -4.888 -1.441 -3.516 1.00 0.00 C ATOM 3 C VAL A 108 -3.378 -1.658 -3.376 1.00 0.00 C ATOM 4 O VAL A 108 -2.759 -1.174 -2.427 1.00 0.00 O ATOM 5 CB VAL A 108 -5.631 -2.793 -3.452 1.00 0.00 C ATOM 6 CG1 VAL A 108 -4.772 -3.890 -2.830 1.00 0.00 C ATOM 7 CG2 VAL A 108 -6.940 -2.642 -2.693 1.00 0.00 C ATOM 0 HA VAL A 108 -5.198 -0.802 -2.689 1.00 0.00 H new ATOM 0 HB VAL A 108 -5.848 -3.096 -4.476 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -5.335 -4.823 -2.805 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -3.869 -4.027 -3.425 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -4.497 -3.605 -1.814 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -7.452 -3.603 -2.656 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -6.735 -2.301 -1.678 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -7.572 -1.913 -3.200 1.00 0.00 H new ATOM 17 N ILE A 109 -2.793 -2.394 -4.315 1.00 0.00 N ATOM 18 CA ILE A 109 -1.360 -2.680 -4.284 1.00 0.00 C ATOM 19 C ILE A 109 -0.535 -1.418 -4.148 1.00 0.00 C ATOM 20 O ILE A 109 0.368 -1.319 -3.317 1.00 0.00 O ATOM 21 CB ILE A 109 -0.901 -3.464 -5.529 1.00 0.00 C ATOM 22 CG1 ILE A 109 -1.373 -2.773 -6.810 1.00 0.00 C ATOM 23 CG2 ILE A 109 -1.417 -4.894 -5.473 1.00 0.00 C ATOM 24 CD1 ILE A 109 -0.334 -1.857 -7.420 1.00 0.00 C ATOM 0 H ILE A 109 -3.287 -2.804 -5.107 1.00 0.00 H new ATOM 0 HA ILE A 109 -1.196 -3.301 -3.403 1.00 0.00 H new ATOM 0 HB ILE A 109 0.189 -3.487 -5.538 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -1.651 -3.532 -7.541 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -2.272 -2.196 -6.592 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -1.085 -5.436 -6.359 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -1.030 -5.386 -4.581 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -2.506 -4.887 -5.439 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -0.737 -1.401 -8.325 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -0.073 -1.076 -6.706 1.00 0.00 H new ATOM 0 HD13 ILE A 109 0.557 -2.433 -7.670 1.00 0.00 H new ATOM 36 N CYS A 110 -0.862 -0.477 -4.982 1.00 0.00 N ATOM 37 CA CYS A 110 -0.182 0.814 -5.020 1.00 0.00 C ATOM 38 C CYS A 110 -0.904 1.773 -5.965 1.00 0.00 C ATOM 39 O CYS A 110 -2.005 1.484 -6.434 1.00 0.00 O ATOM 40 CB CYS A 110 1.266 0.628 -5.480 1.00 0.00 C ATOM 41 SG CYS A 110 2.493 0.545 -4.135 1.00 0.00 S ATOM 0 H CYS A 110 -1.612 -0.569 -5.667 1.00 0.00 H new ATOM 0 HA CYS A 110 -0.190 1.239 -4.016 1.00 0.00 H new ATOM 0 HB2 CYS A 110 1.330 -0.287 -6.068 1.00 0.00 H new ATOM 0 HB3 CYS A 110 1.530 1.452 -6.143 1.00 0.00 H new ATOM 46 N ARG A 111 -0.276 2.910 -6.249 1.00 0.00 N ATOM 47 CA ARG A 111 -0.859 3.901 -7.147 1.00 0.00 C ATOM 48 C ARG A 111 -0.597 3.524 -8.604 1.00 0.00 C ATOM 49 O ARG A 111 -1.514 3.149 -9.333 1.00 0.00 O ATOM 50 CB ARG A 111 -0.283 5.288 -6.855 1.00 0.00 C ATOM 51 CG ARG A 111 -0.588 5.791 -5.453 1.00 0.00 C ATOM 52 CD ARG A 111 0.524 6.685 -4.929 1.00 0.00 C ATOM 53 NE ARG A 111 0.002 7.810 -4.155 1.00 0.00 N ATOM 54 CZ ARG A 111 0.703 8.908 -3.880 1.00 0.00 C ATOM 55 NH1 ARG A 111 1.952 9.034 -4.312 1.00 0.00 N ATOM 56 NH2 ARG A 111 0.152 9.885 -3.171 1.00 0.00 N ATOM 0 H ARG A 111 0.636 3.168 -5.871 1.00 0.00 H new ATOM 0 HA ARG A 111 -1.936 3.923 -6.980 1.00 0.00 H new ATOM 0 HB2 ARG A 111 0.798 5.260 -6.995 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -0.680 5.997 -7.581 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -1.528 6.343 -5.460 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -0.721 4.943 -4.782 1.00 0.00 H new ATOM 0 HD2 ARG A 111 1.198 6.098 -4.306 1.00 0.00 H new ATOM 0 HD3 ARG A 111 1.111 7.062 -5.766 1.00 0.00 H new ATOM 0 HE ARG A 111 -0.954 7.750 -3.805 1.00 0.00 H new ATOM 0 HH11 ARG A 111 2.380 8.287 -4.858 1.00 0.00 H new ATOM 0 HH12 ARG A 111 2.483 9.878 -4.098 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -0.808 9.794 -2.837 1.00 0.00 H new ATOM 0 HH22 ARG A 111 0.688 10.727 -2.960 1.00 0.00 H new ATOM 70 N GLU A 112 0.664 3.620 -9.014 1.00 0.00 N ATOM 71 CA GLU A 112 1.057 3.283 -10.379 1.00 0.00 C ATOM 72 C GLU A 112 2.171 2.239 -10.369 1.00 0.00 C ATOM 73 O GLU A 112 3.176 2.376 -11.067 1.00 0.00 O ATOM 74 CB GLU A 112 1.517 4.536 -11.126 1.00 0.00 C ATOM 75 CG GLU A 112 0.372 5.350 -11.709 1.00 0.00 C ATOM 76 CD GLU A 112 0.754 6.795 -11.963 1.00 0.00 C ATOM 77 OE1 GLU A 112 1.803 7.029 -12.599 1.00 0.00 O ATOM 78 OE2 GLU A 112 0.004 7.693 -11.525 1.00 0.00 O ATOM 0 H GLU A 112 1.433 3.929 -8.419 1.00 0.00 H new ATOM 0 HA GLU A 112 0.191 2.867 -10.894 1.00 0.00 H new ATOM 0 HB2 GLU A 112 2.090 5.165 -10.445 1.00 0.00 H new ATOM 0 HB3 GLU A 112 2.190 4.242 -11.931 1.00 0.00 H new ATOM 0 HG2 GLU A 112 0.047 4.894 -12.644 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -0.477 5.317 -11.026 1.00 0.00 H new ATOM 85 N CYS A 113 1.984 1.204 -9.558 1.00 0.00 N ATOM 86 CA CYS A 113 2.957 0.133 -9.426 1.00 0.00 C ATOM 87 C CYS A 113 2.547 -1.080 -10.263 1.00 0.00 C ATOM 88 O CYS A 113 2.052 -2.075 -9.733 1.00 0.00 O ATOM 89 CB CYS A 113 3.062 -0.246 -7.950 1.00 0.00 C ATOM 90 SG CYS A 113 4.747 -0.217 -7.256 1.00 0.00 S ATOM 0 H CYS A 113 1.155 1.086 -8.976 1.00 0.00 H new ATOM 0 HA CYS A 113 3.926 0.472 -9.792 1.00 0.00 H new ATOM 0 HB2 CYS A 113 2.437 0.435 -7.372 1.00 0.00 H new ATOM 0 HB3 CYS A 113 2.650 -1.247 -7.819 1.00 0.00 H new ATOM 95 N GLY A 114 2.747 -0.986 -11.577 1.00 0.00 N ATOM 96 CA GLY A 114 2.385 -2.077 -12.470 1.00 0.00 C ATOM 97 C GLY A 114 2.881 -3.428 -11.984 1.00 0.00 C ATOM 98 O GLY A 114 2.154 -4.156 -11.307 1.00 0.00 O ATOM 0 H GLY A 114 3.154 -0.173 -12.040 1.00 0.00 H new ATOM 0 HA2 GLY A 114 1.300 -2.110 -12.574 1.00 0.00 H new ATOM 0 HA3 GLY A 114 2.795 -1.880 -13.461 1.00 0.00 H new ATOM 102 N LYS A 115 4.121 -3.759 -12.329 1.00 0.00 N ATOM 103 CA LYS A 115 4.722 -5.026 -11.920 1.00 0.00 C ATOM 104 C LYS A 115 5.945 -4.771 -11.045 1.00 0.00 C ATOM 105 O LYS A 115 7.077 -4.777 -11.527 1.00 0.00 O ATOM 106 CB LYS A 115 5.117 -5.849 -13.148 1.00 0.00 C ATOM 107 CG LYS A 115 4.952 -7.347 -12.955 1.00 0.00 C ATOM 108 CD LYS A 115 6.038 -8.126 -13.680 1.00 0.00 C ATOM 109 CE LYS A 115 5.497 -9.417 -14.272 1.00 0.00 C ATOM 110 NZ LYS A 115 4.830 -9.192 -15.583 1.00 0.00 N ATOM 0 H LYS A 115 4.731 -3.167 -12.892 1.00 0.00 H new ATOM 0 HA LYS A 115 3.987 -5.589 -11.344 1.00 0.00 H new ATOM 0 HB2 LYS A 115 4.512 -5.532 -13.997 1.00 0.00 H new ATOM 0 HB3 LYS A 115 6.156 -5.636 -13.399 1.00 0.00 H new ATOM 0 HG2 LYS A 115 4.982 -7.583 -11.891 1.00 0.00 H new ATOM 0 HG3 LYS A 115 3.974 -7.657 -13.323 1.00 0.00 H new ATOM 0 HD2 LYS A 115 6.461 -7.510 -14.473 1.00 0.00 H new ATOM 0 HD3 LYS A 115 6.848 -8.354 -12.987 1.00 0.00 H new ATOM 0 HE2 LYS A 115 6.313 -10.128 -14.398 1.00 0.00 H new ATOM 0 HE3 LYS A 115 4.788 -9.866 -13.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 4.475 -10.097 -15.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 4.035 -8.533 -15.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 5.513 -8.788 -16.255 1.00 0.00 H new ATOM 124 N PRO A 116 5.727 -4.521 -9.744 1.00 0.00 N ATOM 125 CA PRO A 116 6.774 -4.237 -8.789 1.00 0.00 C ATOM 126 C PRO A 116 7.060 -5.429 -7.880 1.00 0.00 C ATOM 127 O PRO A 116 6.869 -6.581 -8.270 1.00 0.00 O ATOM 128 CB PRO A 116 6.118 -3.099 -8.009 1.00 0.00 C ATOM 129 CG PRO A 116 4.668 -3.478 -7.949 1.00 0.00 C ATOM 130 CD PRO A 116 4.426 -4.465 -9.070 1.00 0.00 C ATOM 0 HA PRO A 116 7.741 -4.004 -9.235 1.00 0.00 H new ATOM 0 HB2 PRO A 116 6.546 -3.003 -7.011 1.00 0.00 H new ATOM 0 HB3 PRO A 116 6.258 -2.141 -8.510 1.00 0.00 H new ATOM 0 HG2 PRO A 116 4.424 -3.922 -6.984 1.00 0.00 H new ATOM 0 HG3 PRO A 116 4.034 -2.599 -8.065 1.00 0.00 H new ATOM 0 HD2 PRO A 116 4.125 -5.442 -8.690 1.00 0.00 H new ATOM 0 HD3 PRO A 116 3.637 -4.127 -9.742 1.00 0.00 H new ATOM 138 N ASP A 117 7.501 -5.142 -6.663 1.00 0.00 N ATOM 139 CA ASP A 117 7.797 -6.185 -5.685 1.00 0.00 C ATOM 140 C ASP A 117 7.528 -5.667 -4.281 1.00 0.00 C ATOM 141 O ASP A 117 7.560 -4.457 -4.050 1.00 0.00 O ATOM 142 CB ASP A 117 9.254 -6.635 -5.801 1.00 0.00 C ATOM 143 CG ASP A 117 9.412 -7.866 -6.673 1.00 0.00 C ATOM 144 OD1 ASP A 117 9.477 -7.712 -7.911 1.00 0.00 O ATOM 145 OD2 ASP A 117 9.468 -8.983 -6.118 1.00 0.00 O ATOM 0 H ASP A 117 7.663 -4.193 -6.327 1.00 0.00 H new ATOM 0 HA ASP A 117 7.152 -7.041 -5.885 1.00 0.00 H new ATOM 0 HB2 ASP A 117 9.851 -5.822 -6.214 1.00 0.00 H new ATOM 0 HB3 ASP A 117 9.647 -6.845 -4.806 1.00 0.00 H new ATOM 150 N THR A 118 7.266 -6.564 -3.336 1.00 0.00 N ATOM 151 CA THR A 118 7.001 -6.137 -1.968 1.00 0.00 C ATOM 152 C THR A 118 7.931 -6.830 -0.979 1.00 0.00 C ATOM 153 O THR A 118 8.082 -8.051 -0.994 1.00 0.00 O ATOM 154 CB THR A 118 5.548 -6.448 -1.612 1.00 0.00 C ATOM 155 OG1 THR A 118 5.188 -7.743 -2.059 1.00 0.00 O ATOM 156 CG2 THR A 118 4.563 -5.466 -2.209 1.00 0.00 C ATOM 0 H THR A 118 7.232 -7.572 -3.488 1.00 0.00 H new ATOM 0 HA THR A 118 7.180 -5.064 -1.904 1.00 0.00 H new ATOM 0 HB THR A 118 5.495 -6.377 -0.526 1.00 0.00 H new ATOM 0 HG1 THR A 118 5.936 -8.359 -1.912 1.00 0.00 H new ATOM 0 HG21 THR A 118 3.550 -5.744 -1.918 1.00 0.00 H new ATOM 0 HG22 THR A 118 4.783 -4.463 -1.844 1.00 0.00 H new ATOM 0 HG23 THR A 118 4.646 -5.483 -3.296 1.00 0.00 H new ATOM 164 N LYS A 119 8.523 -6.034 -0.093 1.00 0.00 N ATOM 165 CA LYS A 119 9.428 -6.547 0.929 1.00 0.00 C ATOM 166 C LYS A 119 9.068 -5.941 2.282 1.00 0.00 C ATOM 167 O LYS A 119 8.860 -4.732 2.391 1.00 0.00 O ATOM 168 CB LYS A 119 10.856 -6.138 0.570 1.00 0.00 C ATOM 169 CG LYS A 119 11.917 -6.833 1.408 1.00 0.00 C ATOM 170 CD LYS A 119 13.159 -7.148 0.588 1.00 0.00 C ATOM 171 CE LYS A 119 13.208 -8.615 0.192 1.00 0.00 C ATOM 172 NZ LYS A 119 14.262 -8.879 -0.826 1.00 0.00 N ATOM 0 H LYS A 119 8.390 -5.023 -0.063 1.00 0.00 H new ATOM 0 HA LYS A 119 9.345 -7.633 0.981 1.00 0.00 H new ATOM 0 HB2 LYS A 119 11.034 -6.358 -0.483 1.00 0.00 H new ATOM 0 HB3 LYS A 119 10.958 -5.060 0.692 1.00 0.00 H new ATOM 0 HG2 LYS A 119 12.188 -6.199 2.252 1.00 0.00 H new ATOM 0 HG3 LYS A 119 11.509 -7.756 1.821 1.00 0.00 H new ATOM 0 HD2 LYS A 119 13.172 -6.528 -0.308 1.00 0.00 H new ATOM 0 HD3 LYS A 119 14.050 -6.895 1.163 1.00 0.00 H new ATOM 0 HE2 LYS A 119 13.396 -9.224 1.076 1.00 0.00 H new ATOM 0 HE3 LYS A 119 12.238 -8.917 -0.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 14.264 -9.890 -1.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 14.069 -8.317 -1.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 15.191 -8.614 -0.441 1.00 0.00 H new ATOM 186 N ILE A 120 9.073 -6.760 3.327 1.00 0.00 N ATOM 187 CA ILE A 120 8.788 -6.266 4.669 1.00 0.00 C ATOM 188 C ILE A 120 9.873 -6.706 5.645 1.00 0.00 C ATOM 189 O ILE A 120 10.256 -7.875 5.677 1.00 0.00 O ATOM 190 CB ILE A 120 7.438 -6.827 5.159 1.00 0.00 C ATOM 191 CG1 ILE A 120 6.368 -6.676 4.074 1.00 0.00 C ATOM 192 CG2 ILE A 120 7.006 -6.126 6.438 1.00 0.00 C ATOM 193 CD1 ILE A 120 6.174 -5.249 3.612 1.00 0.00 C ATOM 0 H ILE A 120 9.269 -7.759 3.273 1.00 0.00 H new ATOM 0 HA ILE A 120 8.753 -5.177 4.628 1.00 0.00 H new ATOM 0 HB ILE A 120 7.561 -7.889 5.372 1.00 0.00 H new ATOM 0 HG12 ILE A 120 6.641 -7.293 3.218 1.00 0.00 H new ATOM 0 HG13 ILE A 120 5.421 -7.059 4.454 1.00 0.00 H new ATOM 0 HG21 ILE A 120 6.051 -6.533 6.771 1.00 0.00 H new ATOM 0 HG22 ILE A 120 7.758 -6.284 7.211 1.00 0.00 H new ATOM 0 HG23 ILE A 120 6.899 -5.058 6.249 1.00 0.00 H new ATOM 0 HD11 ILE A 120 5.402 -5.217 2.843 1.00 0.00 H new ATOM 0 HD12 ILE A 120 5.871 -4.631 4.457 1.00 0.00 H new ATOM 0 HD13 ILE A 120 7.110 -4.869 3.202 1.00 0.00 H new ATOM 205 N ILE A 121 10.308 -5.782 6.498 1.00 0.00 N ATOM 206 CA ILE A 121 11.314 -6.092 7.508 1.00 0.00 C ATOM 207 C ILE A 121 10.855 -5.609 8.875 1.00 0.00 C ATOM 208 O ILE A 121 10.399 -4.475 9.022 1.00 0.00 O ATOM 209 CB ILE A 121 12.638 -5.385 7.162 1.00 0.00 C ATOM 210 CG1 ILE A 121 13.681 -5.613 8.263 1.00 0.00 C ATOM 211 CG2 ILE A 121 12.405 -3.899 6.938 1.00 0.00 C ATOM 212 CD1 ILE A 121 14.940 -6.293 7.771 1.00 0.00 C ATOM 0 H ILE A 121 9.981 -4.816 6.510 1.00 0.00 H new ATOM 0 HA ILE A 121 11.458 -7.172 7.528 1.00 0.00 H new ATOM 0 HB ILE A 121 13.025 -5.814 6.238 1.00 0.00 H new ATOM 0 HG12 ILE A 121 13.946 -4.653 8.706 1.00 0.00 H new ATOM 0 HG13 ILE A 121 13.237 -6.217 9.054 1.00 0.00 H new ATOM 0 HG21 ILE A 121 13.351 -3.415 6.695 1.00 0.00 H new ATOM 0 HG22 ILE A 121 11.704 -3.761 6.115 1.00 0.00 H new ATOM 0 HG23 ILE A 121 11.993 -3.455 7.844 1.00 0.00 H new ATOM 0 HD11 ILE A 121 15.633 -6.422 8.603 1.00 0.00 H new ATOM 0 HD12 ILE A 121 14.688 -7.268 7.354 1.00 0.00 H new ATOM 0 HD13 ILE A 121 15.408 -5.679 7.001 1.00 0.00 H new ATOM 224 N LYS A 122 11.062 -6.435 9.887 1.00 0.00 N ATOM 225 CA LYS A 122 10.710 -6.058 11.252 1.00 0.00 C ATOM 226 C LYS A 122 11.893 -6.268 12.190 1.00 0.00 C ATOM 227 O LYS A 122 12.538 -7.317 12.167 1.00 0.00 O ATOM 228 CB LYS A 122 9.538 -6.924 11.714 1.00 0.00 C ATOM 229 CG LYS A 122 9.741 -8.409 11.459 1.00 0.00 C ATOM 230 CD LYS A 122 8.938 -9.256 12.432 1.00 0.00 C ATOM 231 CE LYS A 122 8.411 -10.521 11.771 1.00 0.00 C ATOM 232 NZ LYS A 122 6.934 -10.478 11.590 1.00 0.00 N ATOM 0 H LYS A 122 11.469 -7.366 9.794 1.00 0.00 H new ATOM 0 HA LYS A 122 10.435 -5.003 11.272 1.00 0.00 H new ATOM 0 HB2 LYS A 122 9.378 -6.766 12.781 1.00 0.00 H new ATOM 0 HB3 LYS A 122 8.632 -6.597 11.204 1.00 0.00 H new ATOM 0 HG2 LYS A 122 9.445 -8.648 10.437 1.00 0.00 H new ATOM 0 HG3 LYS A 122 10.799 -8.653 11.550 1.00 0.00 H new ATOM 0 HD2 LYS A 122 9.563 -9.523 13.284 1.00 0.00 H new ATOM 0 HD3 LYS A 122 8.103 -8.673 12.820 1.00 0.00 H new ATOM 0 HE2 LYS A 122 8.892 -10.652 10.802 1.00 0.00 H new ATOM 0 HE3 LYS A 122 8.677 -11.386 12.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 6.614 -11.358 11.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 6.473 -10.379 12.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 6.681 -9.667 10.989 1.00 0.00 H new ATOM 246 N GLU A 123 12.124 -5.298 13.068 1.00 0.00 N ATOM 247 CA GLU A 123 13.201 -5.397 14.051 1.00 0.00 C ATOM 248 C GLU A 123 12.652 -5.072 15.432 1.00 0.00 C ATOM 249 O GLU A 123 11.932 -4.084 15.591 1.00 0.00 O ATOM 250 CB GLU A 123 14.293 -4.388 13.693 1.00 0.00 C ATOM 251 CG GLU A 123 15.687 -4.826 14.113 1.00 0.00 C ATOM 252 CD GLU A 123 16.778 -4.006 13.452 1.00 0.00 C ATOM 253 OE1 GLU A 123 16.930 -2.820 13.813 1.00 0.00 O ATOM 254 OE2 GLU A 123 17.481 -4.551 12.575 1.00 0.00 O ATOM 0 H GLU A 123 11.582 -4.435 13.121 1.00 0.00 H new ATOM 0 HA GLU A 123 13.613 -6.406 14.050 1.00 0.00 H new ATOM 0 HB2 GLU A 123 14.283 -4.221 12.616 1.00 0.00 H new ATOM 0 HB3 GLU A 123 14.063 -3.433 14.166 1.00 0.00 H new ATOM 0 HG2 GLU A 123 15.780 -4.742 15.196 1.00 0.00 H new ATOM 0 HG3 GLU A 123 15.825 -5.878 13.862 1.00 0.00 H new ATOM 261 N GLY A 124 13.029 -5.838 16.443 1.00 0.00 N ATOM 262 CA GLY A 124 12.560 -5.550 17.791 1.00 0.00 C ATOM 263 C GLY A 124 11.041 -5.594 17.911 1.00 0.00 C ATOM 264 O GLY A 124 10.456 -6.672 18.021 1.00 0.00 O ATOM 0 H GLY A 124 13.645 -6.647 16.362 1.00 0.00 H new ATOM 0 HA2 GLY A 124 12.995 -6.270 18.484 1.00 0.00 H new ATOM 0 HA3 GLY A 124 12.915 -4.564 18.091 1.00 0.00 H new ATOM 268 N ARG A 125 10.397 -4.420 17.902 1.00 0.00 N ATOM 269 CA ARG A 125 8.937 -4.343 18.023 1.00 0.00 C ATOM 270 C ARG A 125 8.345 -3.272 17.102 1.00 0.00 C ATOM 271 O ARG A 125 7.332 -2.650 17.422 1.00 0.00 O ATOM 272 CB ARG A 125 8.543 -4.054 19.473 1.00 0.00 C ATOM 273 CG ARG A 125 9.058 -5.089 20.461 1.00 0.00 C ATOM 274 CD ARG A 125 7.930 -5.682 21.291 1.00 0.00 C ATOM 275 NE ARG A 125 7.101 -4.648 21.906 1.00 0.00 N ATOM 276 CZ ARG A 125 6.289 -4.867 22.937 1.00 0.00 C ATOM 277 NH1 ARG A 125 6.192 -6.080 23.470 1.00 0.00 N ATOM 278 NH2 ARG A 125 5.571 -3.871 23.439 1.00 0.00 N ATOM 0 H ARG A 125 10.861 -3.516 17.813 1.00 0.00 H new ATOM 0 HA ARG A 125 8.532 -5.308 17.718 1.00 0.00 H new ATOM 0 HB2 ARG A 125 8.924 -3.073 19.756 1.00 0.00 H new ATOM 0 HB3 ARG A 125 7.456 -4.006 19.543 1.00 0.00 H new ATOM 0 HG2 ARG A 125 9.570 -5.885 19.921 1.00 0.00 H new ATOM 0 HG3 ARG A 125 9.793 -4.628 21.121 1.00 0.00 H new ATOM 0 HD2 ARG A 125 7.309 -6.316 20.658 1.00 0.00 H new ATOM 0 HD3 ARG A 125 8.349 -6.321 22.068 1.00 0.00 H new ATOM 0 HE ARG A 125 7.147 -3.704 21.523 1.00 0.00 H new ATOM 0 HH11 ARG A 125 6.742 -6.850 23.089 1.00 0.00 H new ATOM 0 HH12 ARG A 125 5.568 -6.241 24.260 1.00 0.00 H new ATOM 0 HH21 ARG A 125 5.641 -2.937 23.035 1.00 0.00 H new ATOM 0 HH22 ARG A 125 4.948 -4.039 24.229 1.00 0.00 H new ATOM 292 N VAL A 126 8.989 -3.070 15.962 1.00 0.00 N ATOM 293 CA VAL A 126 8.571 -2.101 14.978 1.00 0.00 C ATOM 294 C VAL A 126 8.592 -2.760 13.605 1.00 0.00 C ATOM 295 O VAL A 126 9.552 -3.434 13.229 1.00 0.00 O ATOM 296 CB VAL A 126 9.550 -0.911 14.958 1.00 0.00 C ATOM 297 CG1 VAL A 126 9.310 -0.003 16.154 1.00 0.00 C ATOM 298 CG2 VAL A 126 10.992 -1.397 14.930 1.00 0.00 C ATOM 0 H VAL A 126 9.828 -3.586 15.697 1.00 0.00 H new ATOM 0 HA VAL A 126 7.570 -1.747 15.226 1.00 0.00 H new ATOM 0 HB VAL A 126 9.370 -0.336 14.050 1.00 0.00 H new ATOM 0 HG11 VAL A 126 10.010 0.832 16.123 1.00 0.00 H new ATOM 0 HG12 VAL A 126 8.289 0.378 16.122 1.00 0.00 H new ATOM 0 HG13 VAL A 126 9.458 -0.567 17.075 1.00 0.00 H new ATOM 0 HG21 VAL A 126 11.665 -0.539 14.916 1.00 0.00 H new ATOM 0 HG22 VAL A 126 11.190 -1.999 15.816 1.00 0.00 H new ATOM 0 HG23 VAL A 126 11.155 -2.001 14.037 1.00 0.00 H new ATOM 308 N HIS A 127 7.553 -2.493 12.847 1.00 0.00 N ATOM 309 CA HIS A 127 7.426 -3.015 11.489 1.00 0.00 C ATOM 310 C HIS A 127 7.584 -1.895 10.462 1.00 0.00 C ATOM 311 O HIS A 127 6.989 -0.831 10.590 1.00 0.00 O ATOM 312 CB HIS A 127 6.041 -3.651 11.338 1.00 0.00 C ATOM 313 CG HIS A 127 5.596 -4.414 12.547 1.00 0.00 C ATOM 314 ND1 HIS A 127 6.398 -5.329 13.196 1.00 0.00 N ATOM 315 CD2 HIS A 127 4.428 -4.387 13.232 1.00 0.00 C ATOM 316 CE1 HIS A 127 5.742 -5.833 14.226 1.00 0.00 C ATOM 317 NE2 HIS A 127 4.546 -5.278 14.270 1.00 0.00 N ATOM 0 H HIS A 127 6.770 -1.911 13.145 1.00 0.00 H new ATOM 0 HA HIS A 127 8.208 -3.754 11.315 1.00 0.00 H new ATOM 0 HB2 HIS A 127 5.313 -2.869 11.124 1.00 0.00 H new ATOM 0 HB3 HIS A 127 6.050 -4.322 10.479 1.00 0.00 H new ATOM 0 HD2 HIS A 127 3.565 -3.779 13.004 1.00 0.00 H new ATOM 0 HE1 HIS A 127 6.121 -6.574 14.915 1.00 0.00 H new ATOM 0 HE2 HIS A 127 3.825 -5.478 14.963 1.00 0.00 H new ATOM 325 N LEU A 128 8.320 -2.188 9.397 1.00 0.00 N ATOM 326 CA LEU A 128 8.525 -1.263 8.310 1.00 0.00 C ATOM 327 C LEU A 128 8.197 -1.973 7.008 1.00 0.00 C ATOM 328 O LEU A 128 8.627 -3.104 6.776 1.00 0.00 O ATOM 329 CB LEU A 128 9.989 -0.821 8.299 1.00 0.00 C ATOM 330 CG LEU A 128 10.244 0.567 7.711 1.00 0.00 C ATOM 331 CD1 LEU A 128 9.706 0.650 6.290 1.00 0.00 C ATOM 332 CD2 LEU A 128 9.612 1.640 8.586 1.00 0.00 C ATOM 0 H LEU A 128 8.791 -3.084 9.271 1.00 0.00 H new ATOM 0 HA LEU A 128 7.886 -0.388 8.428 1.00 0.00 H new ATOM 0 HB2 LEU A 128 10.366 -0.840 9.322 1.00 0.00 H new ATOM 0 HB3 LEU A 128 10.568 -1.550 7.733 1.00 0.00 H new ATOM 0 HG LEU A 128 11.320 0.738 7.681 1.00 0.00 H new ATOM 0 HD11 LEU A 128 9.896 1.645 5.887 1.00 0.00 H new ATOM 0 HD12 LEU A 128 10.203 -0.095 5.669 1.00 0.00 H new ATOM 0 HD13 LEU A 128 8.633 0.460 6.296 1.00 0.00 H new ATOM 0 HD21 LEU A 128 9.803 2.622 8.153 1.00 0.00 H new ATOM 0 HD22 LEU A 128 8.537 1.473 8.647 1.00 0.00 H new ATOM 0 HD23 LEU A 128 10.043 1.594 9.586 1.00 0.00 H new ATOM 344 N LEU A 129 7.504 -1.275 6.137 1.00 0.00 N ATOM 345 CA LEU A 129 7.155 -1.806 4.842 1.00 0.00 C ATOM 346 C LEU A 129 7.849 -1.006 3.758 1.00 0.00 C ATOM 347 O LEU A 129 7.839 0.225 3.760 1.00 0.00 O ATOM 348 CB LEU A 129 5.639 -1.720 4.662 1.00 0.00 C ATOM 349 CG LEU A 129 5.125 -2.145 3.284 1.00 0.00 C ATOM 350 CD1 LEU A 129 3.727 -2.735 3.395 1.00 0.00 C ATOM 351 CD2 LEU A 129 5.133 -0.963 2.326 1.00 0.00 C ATOM 0 H LEU A 129 7.168 -0.327 6.307 1.00 0.00 H new ATOM 0 HA LEU A 129 7.473 -2.846 4.771 1.00 0.00 H new ATOM 0 HB2 LEU A 129 5.163 -2.343 5.419 1.00 0.00 H new ATOM 0 HB3 LEU A 129 5.324 -0.694 4.850 1.00 0.00 H new ATOM 0 HG LEU A 129 5.790 -2.913 2.889 1.00 0.00 H new ATOM 0 HD11 LEU A 129 3.378 -3.032 2.406 1.00 0.00 H new ATOM 0 HD12 LEU A 129 3.751 -3.607 4.048 1.00 0.00 H new ATOM 0 HD13 LEU A 129 3.049 -1.989 3.811 1.00 0.00 H new ATOM 0 HD21 LEU A 129 4.765 -1.282 1.351 1.00 0.00 H new ATOM 0 HD22 LEU A 129 4.490 -0.174 2.716 1.00 0.00 H new ATOM 0 HD23 LEU A 129 6.150 -0.585 2.224 1.00 0.00 H new ATOM 363 N LYS A 130 8.383 -1.722 2.805 1.00 0.00 N ATOM 364 CA LYS A 130 9.056 -1.140 1.670 1.00 0.00 C ATOM 365 C LYS A 130 8.520 -1.763 0.393 1.00 0.00 C ATOM 366 O LYS A 130 8.391 -2.982 0.283 1.00 0.00 O ATOM 367 CB LYS A 130 10.555 -1.425 1.780 1.00 0.00 C ATOM 368 CG LYS A 130 11.376 -0.798 0.663 1.00 0.00 C ATOM 369 CD LYS A 130 12.215 -1.836 -0.070 1.00 0.00 C ATOM 370 CE LYS A 130 13.691 -1.700 0.266 1.00 0.00 C ATOM 371 NZ LYS A 130 14.560 -2.236 -0.818 1.00 0.00 N ATOM 0 H LYS A 130 8.363 -2.742 2.793 1.00 0.00 H new ATOM 0 HA LYS A 130 8.884 -0.064 1.651 1.00 0.00 H new ATOM 0 HB2 LYS A 130 10.918 -1.054 2.739 1.00 0.00 H new ATOM 0 HB3 LYS A 130 10.713 -2.503 1.775 1.00 0.00 H new ATOM 0 HG2 LYS A 130 10.710 -0.303 -0.044 1.00 0.00 H new ATOM 0 HG3 LYS A 130 12.028 -0.030 1.078 1.00 0.00 H new ATOM 0 HD2 LYS A 130 11.871 -2.836 0.195 1.00 0.00 H new ATOM 0 HD3 LYS A 130 12.074 -1.725 -1.145 1.00 0.00 H new ATOM 0 HE2 LYS A 130 13.929 -0.650 0.436 1.00 0.00 H new ATOM 0 HE3 LYS A 130 13.902 -2.229 1.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 15.446 -1.692 -0.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 14.775 -3.236 -0.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 14.067 -2.155 -1.730 1.00 0.00 H new ATOM 385 N CYS A 131 8.304 -0.926 -0.594 1.00 0.00 N ATOM 386 CA CYS A 131 7.861 -1.365 -1.895 1.00 0.00 C ATOM 387 C CYS A 131 8.873 -0.886 -2.908 1.00 0.00 C ATOM 388 O CYS A 131 9.285 0.285 -2.883 1.00 0.00 O ATOM 389 CB CYS A 131 6.490 -0.754 -2.204 1.00 0.00 C ATOM 390 SG CYS A 131 5.738 -1.358 -3.755 1.00 0.00 S ATOM 0 H CYS A 131 8.431 0.083 -0.516 1.00 0.00 H new ATOM 0 HA CYS A 131 7.773 -2.451 -1.926 1.00 0.00 H new ATOM 0 HB2 CYS A 131 5.813 -0.969 -1.377 1.00 0.00 H new ATOM 0 HB3 CYS A 131 6.591 0.330 -2.260 1.00 0.00 H new ATOM 395 N MET A 132 9.223 -1.763 -3.834 1.00 0.00 N ATOM 396 CA MET A 132 10.164 -1.410 -4.867 1.00 0.00 C ATOM 397 C MET A 132 9.463 -1.282 -6.202 1.00 0.00 C ATOM 398 O MET A 132 8.708 -2.160 -6.629 1.00 0.00 O ATOM 399 CB MET A 132 11.256 -2.477 -4.953 1.00 0.00 C ATOM 400 CG MET A 132 12.049 -2.638 -3.667 1.00 0.00 C ATOM 401 SD MET A 132 11.388 -3.932 -2.599 1.00 0.00 S ATOM 402 CE MET A 132 12.849 -4.935 -2.342 1.00 0.00 C ATOM 0 H MET A 132 8.868 -2.718 -3.886 1.00 0.00 H new ATOM 0 HA MET A 132 10.614 -0.449 -4.619 1.00 0.00 H new ATOM 0 HB2 MET A 132 10.800 -3.433 -5.211 1.00 0.00 H new ATOM 0 HB3 MET A 132 11.940 -2.221 -5.762 1.00 0.00 H new ATOM 0 HG2 MET A 132 13.086 -2.868 -3.911 1.00 0.00 H new ATOM 0 HG3 MET A 132 12.052 -1.692 -3.126 1.00 0.00 H new ATOM 0 HE1 MET A 132 12.565 -5.986 -2.298 1.00 0.00 H new ATOM 0 HE2 MET A 132 13.545 -4.781 -3.166 1.00 0.00 H new ATOM 0 HE3 MET A 132 13.327 -4.648 -1.405 1.00 0.00 H new ATOM 412 N ALA A 133 9.770 -0.163 -6.844 1.00 0.00 N ATOM 413 CA ALA A 133 9.238 0.214 -8.158 1.00 0.00 C ATOM 414 C ALA A 133 8.731 1.641 -8.079 1.00 0.00 C ATOM 415 O ALA A 133 8.944 2.451 -8.980 1.00 0.00 O ATOM 416 CB ALA A 133 8.123 -0.714 -8.616 1.00 0.00 C ATOM 0 H ALA A 133 10.413 0.530 -6.460 1.00 0.00 H new ATOM 0 HA ALA A 133 10.039 0.130 -8.893 1.00 0.00 H new ATOM 0 HB1 ALA A 133 7.762 -0.394 -9.593 1.00 0.00 H new ATOM 0 HB2 ALA A 133 8.503 -1.733 -8.685 1.00 0.00 H new ATOM 0 HB3 ALA A 133 7.304 -0.681 -7.898 1.00 0.00 H new ATOM 422 N CYS A 134 8.085 1.937 -6.960 1.00 0.00 N ATOM 423 CA CYS A 134 7.560 3.263 -6.691 1.00 0.00 C ATOM 424 C CYS A 134 8.381 3.928 -5.587 1.00 0.00 C ATOM 425 O CYS A 134 8.232 5.120 -5.320 1.00 0.00 O ATOM 426 CB CYS A 134 6.087 3.178 -6.276 1.00 0.00 C ATOM 427 SG CYS A 134 5.808 2.335 -4.681 1.00 0.00 S ATOM 0 H CYS A 134 7.911 1.263 -6.215 1.00 0.00 H new ATOM 0 HA CYS A 134 7.630 3.863 -7.598 1.00 0.00 H new ATOM 0 HB2 CYS A 134 5.679 4.187 -6.218 1.00 0.00 H new ATOM 0 HB3 CYS A 134 5.531 2.654 -7.054 1.00 0.00 H new ATOM 432 N GLY A 135 9.246 3.138 -4.943 1.00 0.00 N ATOM 433 CA GLY A 135 10.074 3.656 -3.873 1.00 0.00 C ATOM 434 C GLY A 135 9.244 4.243 -2.757 1.00 0.00 C ATOM 435 O GLY A 135 9.276 5.451 -2.523 1.00 0.00 O ATOM 0 H GLY A 135 9.383 2.148 -5.148 1.00 0.00 H new ATOM 0 HA2 GLY A 135 10.700 2.856 -3.478 1.00 0.00 H new ATOM 0 HA3 GLY A 135 10.744 4.420 -4.269 1.00 0.00 H new ATOM 439 N ALA A 136 8.480 3.395 -2.073 1.00 0.00 N ATOM 440 CA ALA A 136 7.626 3.875 -0.988 1.00 0.00 C ATOM 441 C ALA A 136 7.991 3.224 0.339 1.00 0.00 C ATOM 442 O ALA A 136 8.154 2.008 0.421 1.00 0.00 O ATOM 443 CB ALA A 136 6.180 3.555 -1.339 1.00 0.00 C ATOM 0 H ALA A 136 8.433 2.391 -2.245 1.00 0.00 H new ATOM 0 HA ALA A 136 7.766 4.950 -0.875 1.00 0.00 H new ATOM 0 HB1 ALA A 136 5.526 3.906 -0.541 1.00 0.00 H new ATOM 0 HB2 ALA A 136 5.913 4.052 -2.272 1.00 0.00 H new ATOM 0 HB3 ALA A 136 6.064 2.478 -1.456 1.00 0.00 H new ATOM 449 N ILE A 137 8.028 4.026 1.399 1.00 0.00 N ATOM 450 CA ILE A 137 8.312 3.508 2.731 1.00 0.00 C ATOM 451 C ILE A 137 7.247 3.973 3.721 1.00 0.00 C ATOM 452 O ILE A 137 6.897 5.152 3.765 1.00 0.00 O ATOM 453 CB ILE A 137 9.681 4.025 3.209 1.00 0.00 C ATOM 454 CG1 ILE A 137 9.758 5.546 3.068 1.00 0.00 C ATOM 455 CG2 ILE A 137 10.802 3.358 2.425 1.00 0.00 C ATOM 456 CD1 ILE A 137 11.075 6.131 3.529 1.00 0.00 C ATOM 0 H ILE A 137 7.866 5.032 1.361 1.00 0.00 H new ATOM 0 HA ILE A 137 8.316 2.419 2.682 1.00 0.00 H new ATOM 0 HB ILE A 137 9.799 3.772 4.263 1.00 0.00 H new ATOM 0 HG12 ILE A 137 9.596 5.814 2.024 1.00 0.00 H new ATOM 0 HG13 ILE A 137 8.949 5.997 3.642 1.00 0.00 H new ATOM 0 HG21 ILE A 137 11.764 3.734 2.774 1.00 0.00 H new ATOM 0 HG22 ILE A 137 10.758 2.279 2.574 1.00 0.00 H new ATOM 0 HG23 ILE A 137 10.688 3.583 1.365 1.00 0.00 H new ATOM 0 HD11 ILE A 137 11.058 7.213 3.400 1.00 0.00 H new ATOM 0 HD12 ILE A 137 11.230 5.894 4.582 1.00 0.00 H new ATOM 0 HD13 ILE A 137 11.888 5.708 2.938 1.00 0.00 H new ATOM 468 N ARG A 138 6.794 3.054 4.566 1.00 0.00 N ATOM 469 CA ARG A 138 5.806 3.373 5.586 1.00 0.00 C ATOM 470 C ARG A 138 6.264 2.861 6.954 1.00 0.00 C ATOM 471 O ARG A 138 6.701 1.712 7.085 1.00 0.00 O ATOM 472 CB ARG A 138 4.486 2.697 5.218 1.00 0.00 C ATOM 473 CG ARG A 138 3.639 3.503 4.246 1.00 0.00 C ATOM 474 CD ARG A 138 2.160 3.406 4.583 1.00 0.00 C ATOM 475 NE ARG A 138 1.316 3.597 3.406 1.00 0.00 N ATOM 476 CZ ARG A 138 0.025 3.276 3.359 1.00 0.00 C ATOM 477 NH1 ARG A 138 -0.574 2.748 4.419 1.00 0.00 N ATOM 478 NH2 ARG A 138 -0.670 3.484 2.248 1.00 0.00 N ATOM 0 H ARG A 138 7.097 2.080 4.564 1.00 0.00 H new ATOM 0 HA ARG A 138 5.682 4.455 5.638 1.00 0.00 H new ATOM 0 HB2 ARG A 138 4.697 1.721 4.780 1.00 0.00 H new ATOM 0 HB3 ARG A 138 3.912 2.521 6.128 1.00 0.00 H new ATOM 0 HG2 ARG A 138 3.951 4.547 4.269 1.00 0.00 H new ATOM 0 HG3 ARG A 138 3.806 3.143 3.231 1.00 0.00 H new ATOM 0 HD2 ARG A 138 1.952 2.431 5.024 1.00 0.00 H new ATOM 0 HD3 ARG A 138 1.910 4.155 5.334 1.00 0.00 H new ATOM 0 HE ARG A 138 1.741 4.000 2.571 1.00 0.00 H new ATOM 0 HH11 ARG A 138 -0.045 2.586 5.276 1.00 0.00 H new ATOM 0 HH12 ARG A 138 -1.564 2.504 4.377 1.00 0.00 H new ATOM 0 HH21 ARG A 138 -0.215 3.890 1.430 1.00 0.00 H new ATOM 0 HH22 ARG A 138 -1.659 3.238 2.212 1.00 0.00 H new ATOM 492 N PRO A 139 6.100 3.689 8.006 1.00 0.00 N ATOM 493 CA PRO A 139 6.448 3.339 9.373 1.00 0.00 C ATOM 494 C PRO A 139 5.239 2.878 10.182 1.00 0.00 C ATOM 495 O PRO A 139 4.195 3.529 10.179 1.00 0.00 O ATOM 496 CB PRO A 139 6.952 4.675 9.900 1.00 0.00 C ATOM 497 CG PRO A 139 6.094 5.698 9.216 1.00 0.00 C ATOM 498 CD PRO A 139 5.538 5.048 7.963 1.00 0.00 C ATOM 0 HA PRO A 139 7.157 2.513 9.438 1.00 0.00 H new ATOM 0 HB2 PRO A 139 6.854 4.736 10.984 1.00 0.00 H new ATOM 0 HB3 PRO A 139 8.007 4.821 9.666 1.00 0.00 H new ATOM 0 HG2 PRO A 139 5.287 6.024 9.872 1.00 0.00 H new ATOM 0 HG3 PRO A 139 6.677 6.584 8.964 1.00 0.00 H new ATOM 0 HD2 PRO A 139 4.448 5.032 7.968 1.00 0.00 H new ATOM 0 HD3 PRO A 139 5.845 5.582 7.063 1.00 0.00 H new ATOM 506 N ILE A 140 5.387 1.758 10.879 1.00 0.00 N ATOM 507 CA ILE A 140 4.308 1.218 11.697 1.00 0.00 C ATOM 508 C ILE A 140 4.820 0.817 13.076 1.00 0.00 C ATOM 509 O ILE A 140 5.286 -0.307 13.274 1.00 0.00 O ATOM 510 CB ILE A 140 3.652 -0.005 11.027 1.00 0.00 C ATOM 511 CG1 ILE A 140 3.307 0.308 9.570 1.00 0.00 C ATOM 512 CG2 ILE A 140 2.407 -0.425 11.795 1.00 0.00 C ATOM 513 CD1 ILE A 140 4.373 -0.131 8.589 1.00 0.00 C ATOM 0 H ILE A 140 6.244 1.206 10.894 1.00 0.00 H new ATOM 0 HA ILE A 140 3.562 2.005 11.802 1.00 0.00 H new ATOM 0 HB ILE A 140 4.361 -0.833 11.042 1.00 0.00 H new ATOM 0 HG12 ILE A 140 2.366 -0.180 9.315 1.00 0.00 H new ATOM 0 HG13 ILE A 140 3.148 1.381 9.465 1.00 0.00 H new ATOM 0 HG21 ILE A 140 1.955 -1.290 11.310 1.00 0.00 H new ATOM 0 HG22 ILE A 140 2.681 -0.685 12.818 1.00 0.00 H new ATOM 0 HG23 ILE A 140 1.693 0.398 11.808 1.00 0.00 H new ATOM 0 HD11 ILE A 140 4.062 0.122 7.576 1.00 0.00 H new ATOM 0 HD12 ILE A 140 5.310 0.377 8.818 1.00 0.00 H new ATOM 0 HD13 ILE A 140 4.516 -1.209 8.666 1.00 0.00 H new ATOM 525 N ARG A 141 4.736 1.744 14.025 1.00 0.00 N ATOM 526 CA ARG A 141 5.195 1.488 15.384 1.00 0.00 C ATOM 527 C ARG A 141 4.214 0.592 16.134 1.00 0.00 C ATOM 528 O ARG A 141 4.490 -0.584 16.374 1.00 0.00 O ATOM 529 CB ARG A 141 5.383 2.808 16.138 1.00 0.00 C ATOM 530 CG ARG A 141 6.744 2.939 16.805 1.00 0.00 C ATOM 531 CD ARG A 141 7.578 4.039 16.166 1.00 0.00 C ATOM 532 NE ARG A 141 8.967 3.628 15.973 1.00 0.00 N ATOM 533 CZ ARG A 141 9.854 4.325 15.265 1.00 0.00 C ATOM 534 NH1 ARG A 141 9.502 5.466 14.686 1.00 0.00 N ATOM 535 NH2 ARG A 141 11.096 3.881 15.138 1.00 0.00 N ATOM 0 H ARG A 141 4.354 2.678 13.877 1.00 0.00 H new ATOM 0 HA ARG A 141 6.153 0.972 15.325 1.00 0.00 H new ATOM 0 HB2 ARG A 141 5.247 3.637 15.443 1.00 0.00 H new ATOM 0 HB3 ARG A 141 4.606 2.897 16.897 1.00 0.00 H new ATOM 0 HG2 ARG A 141 6.611 3.152 17.866 1.00 0.00 H new ATOM 0 HG3 ARG A 141 7.277 1.991 16.735 1.00 0.00 H new ATOM 0 HD2 ARG A 141 7.143 4.312 15.204 1.00 0.00 H new ATOM 0 HD3 ARG A 141 7.547 4.929 16.794 1.00 0.00 H new ATOM 0 HE ARG A 141 9.275 2.757 16.405 1.00 0.00 H new ATOM 0 HH11 ARG A 141 8.548 5.813 14.782 1.00 0.00 H new ATOM 0 HH12 ARG A 141 10.186 5.996 14.145 1.00 0.00 H new ATOM 0 HH21 ARG A 141 11.373 3.006 15.582 1.00 0.00 H new ATOM 0 HH22 ARG A 141 11.775 4.415 14.596 1.00 0.00 H new ATOM 549 N MET A 142 3.067 1.154 16.500 1.00 0.00 N ATOM 550 CA MET A 142 2.045 0.405 17.221 1.00 0.00 C ATOM 551 C MET A 142 1.375 -0.617 16.308 1.00 0.00 C ATOM 552 O MET A 142 1.492 -0.543 15.085 1.00 0.00 O ATOM 553 CB MET A 142 0.995 1.357 17.797 1.00 0.00 C ATOM 554 CG MET A 142 0.370 2.274 16.758 1.00 0.00 C ATOM 555 SD MET A 142 -1.102 3.116 17.370 1.00 0.00 S ATOM 556 CE MET A 142 -2.351 2.461 16.267 1.00 0.00 C ATOM 0 H MET A 142 2.822 2.126 16.309 1.00 0.00 H new ATOM 0 HA MET A 142 2.530 -0.127 18.039 1.00 0.00 H new ATOM 0 HB2 MET A 142 0.208 0.772 18.273 1.00 0.00 H new ATOM 0 HB3 MET A 142 1.456 1.965 18.576 1.00 0.00 H new ATOM 0 HG2 MET A 142 1.105 3.016 16.445 1.00 0.00 H new ATOM 0 HG3 MET A 142 0.110 1.691 15.874 1.00 0.00 H new ATOM 0 HE1 MET A 142 -3.321 2.889 16.520 1.00 0.00 H new ATOM 0 HE2 MET A 142 -2.099 2.718 15.238 1.00 0.00 H new ATOM 0 HE3 MET A 142 -2.395 1.377 16.370 1.00 0.00 H new ATOM 566 N ILE A 143 0.673 -1.572 16.912 1.00 0.00 N ATOM 567 CA ILE A 143 -0.017 -2.609 16.155 1.00 0.00 C ATOM 568 C ILE A 143 -1.502 -2.641 16.499 1.00 0.00 C ATOM 569 O ILE A 143 -1.110 -2.000 16.000 1.00 0.00 O ATOM 570 CB ILE A 143 0.605 -4.000 16.412 1.00 0.00 C ATOM 571 CG1 ILE A 143 0.042 -5.034 15.428 1.00 0.00 C ATOM 572 CG2 ILE A 143 0.374 -4.435 17.854 1.00 0.00 C ATOM 573 CD1 ILE A 143 -1.374 -5.481 15.735 1.00 0.00 C ATOM 574 OXT ILE A 143 -1.000 -2.110 16.110 1.00 0.00 O ATOM 0 H ILE A 143 0.568 -1.648 17.924 1.00 0.00 H new ATOM 0 HA ILE A 143 0.097 -2.366 15.099 1.00 0.00 H new ATOM 0 HB ILE A 143 1.681 -3.931 16.250 1.00 0.00 H new ATOM 0 HG12 ILE A 143 0.068 -4.613 14.423 1.00 0.00 H new ATOM 0 HG13 ILE A 143 0.694 -5.908 15.425 1.00 0.00 H new ATOM 0 HG21 ILE A 143 0.820 -5.417 18.014 1.00 0.00 H new ATOM 0 HG22 ILE A 143 0.833 -3.714 18.530 1.00 0.00 H new ATOM 0 HG23 ILE A 143 -0.697 -4.486 18.052 1.00 0.00 H new ATOM 0 HD11 ILE A 143 -1.694 -6.211 14.992 1.00 0.00 H new ATOM 0 HD12 ILE A 143 -1.406 -5.934 16.726 1.00 0.00 H new ATOM 0 HD13 ILE A 143 -2.041 -4.620 15.708 1.00 0.00 H new TER 586 ILE A 143 HETATM 587 ZN ZN A 144 4.668 0.321 -4.977 1.00 0.00 ZN