USER MOD reduce.3.24.130724 H: found=0, std=0, add=506, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 506 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 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 41 SER OG : rot 111:sc= 1.15 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 162:sc= 1.01 (180deg=0.411!) USER MOD Single : A 4 THR OG1 : rot 180:sc= -0.683 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 GLN : amide:sc= -3.91! C(o=-3.9!,f=-6.5!) USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 GLN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 19 LYS NZ :NH3+ 146:sc= -0.489 (180deg=-1.81!) USER MOD Single : A 20 LYS NZ :NH3+ 179:sc= 1.06 (180deg=1.03) USER MOD Single : A 29 ASN : amide:sc= -2.19! C(o=-2.2!,f=-9.7!) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 HIS :FLIP no HD1:sc= -0.066 F(o=-0.58,f=-0.066) USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.18 USER MOD Single : A 43 ASN : amide:sc= 2.48 K(o=2.5,f=-7!) USER MOD Single : A 47 LYS NZ :NH3+ -169:sc= -0.0262 (180deg=-0.178) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 161:sc= -1.57! (180deg=-2.21!) USER MOD Single : A 53 THR OG1 : rot 51:sc= 0.123 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ -168:sc= -0.031 (180deg=-0.236) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 15.977 -3.217 -2.125 1.00 0.00 N ATOM 2 CA MET A 1 16.069 -3.908 -3.431 1.00 0.00 C ATOM 3 C MET A 1 14.695 -3.952 -4.087 1.00 0.00 C ATOM 4 O MET A 1 13.681 -3.883 -3.396 1.00 0.00 O ATOM 5 CB MET A 1 16.608 -5.335 -3.250 1.00 0.00 C ATOM 6 CG MET A 1 18.039 -5.404 -2.730 1.00 0.00 C ATOM 7 SD MET A 1 18.226 -4.696 -1.079 1.00 0.00 S ATOM 8 CE MET A 1 19.961 -5.019 -0.767 1.00 0.00 C ATOM 0 H1 MET A 1 16.813 -3.447 -1.551 1.00 0.00 H new ATOM 0 H2 MET A 1 15.934 -2.189 -2.278 1.00 0.00 H new ATOM 0 H3 MET A 1 15.119 -3.529 -1.627 1.00 0.00 H new ATOM 0 HA MET A 1 16.758 -3.356 -4.071 1.00 0.00 H new ATOM 0 HB2 MET A 1 15.957 -5.872 -2.560 1.00 0.00 H new ATOM 0 HB3 MET A 1 16.556 -5.854 -4.207 1.00 0.00 H new ATOM 0 HG2 MET A 1 18.363 -6.445 -2.712 1.00 0.00 H new ATOM 0 HG3 MET A 1 18.697 -4.877 -3.422 1.00 0.00 H new ATOM 0 HE1 MET A 1 20.230 -4.639 0.218 1.00 0.00 H new ATOM 0 HE2 MET A 1 20.144 -6.093 -0.804 1.00 0.00 H new ATOM 0 HE3 MET A 1 20.566 -4.522 -1.525 1.00 0.00 H new ATOM 20 N PRO A 2 14.634 -4.056 -5.425 1.00 0.00 N ATOM 21 CA PRO A 2 13.361 -4.149 -6.149 1.00 0.00 C ATOM 22 C PRO A 2 12.613 -5.430 -5.801 1.00 0.00 C ATOM 23 O PRO A 2 11.387 -5.492 -5.875 1.00 0.00 O ATOM 24 CB PRO A 2 13.776 -4.150 -7.625 1.00 0.00 C ATOM 25 CG PRO A 2 15.200 -4.588 -7.625 1.00 0.00 C ATOM 26 CD PRO A 2 15.788 -4.078 -6.338 1.00 0.00 C ATOM 0 HA PRO A 2 12.683 -3.334 -5.897 1.00 0.00 H new ATOM 0 HB2 PRO A 2 13.154 -4.829 -8.209 1.00 0.00 H new ATOM 0 HB3 PRO A 2 13.668 -3.159 -8.066 1.00 0.00 H new ATOM 0 HG2 PRO A 2 15.275 -5.674 -7.685 1.00 0.00 H new ATOM 0 HG3 PRO A 2 15.733 -4.183 -8.485 1.00 0.00 H new ATOM 0 HD2 PRO A 2 16.579 -4.731 -5.971 1.00 0.00 H new ATOM 0 HD3 PRO A 2 16.224 -3.086 -6.460 1.00 0.00 H new ATOM 34 N LEU A 3 13.370 -6.447 -5.413 1.00 0.00 N ATOM 35 CA LEU A 3 12.804 -7.719 -5.014 1.00 0.00 C ATOM 36 C LEU A 3 13.515 -8.217 -3.759 1.00 0.00 C ATOM 37 O LEU A 3 14.718 -8.469 -3.786 1.00 0.00 O ATOM 38 CB LEU A 3 12.929 -8.727 -6.168 1.00 0.00 C ATOM 39 CG LEU A 3 12.242 -10.083 -5.958 1.00 0.00 C ATOM 40 CD1 LEU A 3 11.723 -10.619 -7.283 1.00 0.00 C ATOM 41 CD2 LEU A 3 13.204 -11.088 -5.338 1.00 0.00 C ATOM 0 H LEU A 3 14.388 -6.410 -5.368 1.00 0.00 H new ATOM 0 HA LEU A 3 11.745 -7.602 -4.784 1.00 0.00 H new ATOM 0 HB2 LEU A 3 12.518 -8.270 -7.068 1.00 0.00 H new ATOM 0 HB3 LEU A 3 13.988 -8.904 -6.355 1.00 0.00 H new ATOM 0 HG LEU A 3 11.405 -9.937 -5.276 1.00 0.00 H new ATOM 0 HD11 LEU A 3 11.238 -11.581 -7.121 1.00 0.00 H new ATOM 0 HD12 LEU A 3 11.004 -9.916 -7.703 1.00 0.00 H new ATOM 0 HD13 LEU A 3 12.555 -10.744 -7.976 1.00 0.00 H new ATOM 0 HD21 LEU A 3 12.694 -12.041 -5.199 1.00 0.00 H new ATOM 0 HD22 LEU A 3 14.060 -11.227 -5.998 1.00 0.00 H new ATOM 0 HD23 LEU A 3 13.547 -10.716 -4.373 1.00 0.00 H new ATOM 53 N THR A 4 12.760 -8.310 -2.665 1.00 0.00 N ATOM 54 CA THR A 4 13.272 -8.788 -1.380 1.00 0.00 C ATOM 55 C THR A 4 14.110 -7.729 -0.658 1.00 0.00 C ATOM 56 O THR A 4 15.175 -7.324 -1.126 1.00 0.00 O ATOM 57 CB THR A 4 14.096 -10.088 -1.530 1.00 0.00 C ATOM 58 OG1 THR A 4 13.287 -11.109 -2.127 1.00 0.00 O ATOM 59 CG2 THR A 4 14.611 -10.574 -0.182 1.00 0.00 C ATOM 0 H THR A 4 11.773 -8.055 -2.644 1.00 0.00 H new ATOM 0 HA THR A 4 12.392 -9.002 -0.773 1.00 0.00 H new ATOM 0 HB THR A 4 14.953 -9.872 -2.168 1.00 0.00 H new ATOM 0 HG1 THR A 4 13.814 -11.930 -2.222 1.00 0.00 H new ATOM 0 HG21 THR A 4 15.186 -11.489 -0.321 1.00 0.00 H new ATOM 0 HG22 THR A 4 15.248 -9.809 0.261 1.00 0.00 H new ATOM 0 HG23 THR A 4 13.768 -10.772 0.480 1.00 0.00 H new ATOM 67 N ASP A 5 13.595 -7.271 0.472 1.00 0.00 N ATOM 68 CA ASP A 5 14.328 -6.391 1.370 1.00 0.00 C ATOM 69 C ASP A 5 14.195 -6.914 2.794 1.00 0.00 C ATOM 70 O ASP A 5 13.365 -7.789 3.046 1.00 0.00 O ATOM 71 CB ASP A 5 13.827 -4.939 1.270 1.00 0.00 C ATOM 72 CG ASP A 5 12.317 -4.803 1.306 1.00 0.00 C ATOM 73 OD1 ASP A 5 11.718 -4.981 2.381 1.00 0.00 O ATOM 74 OD2 ASP A 5 11.725 -4.475 0.252 1.00 0.00 O ATOM 0 H ASP A 5 12.654 -7.499 0.794 1.00 0.00 H new ATOM 0 HA ASP A 5 15.379 -6.386 1.080 1.00 0.00 H new ATOM 0 HB2 ASP A 5 14.253 -4.361 2.090 1.00 0.00 H new ATOM 0 HB3 ASP A 5 14.199 -4.500 0.344 1.00 0.00 H new ATOM 79 N PRO A 6 15.028 -6.427 3.735 1.00 0.00 N ATOM 80 CA PRO A 6 14.977 -6.865 5.135 1.00 0.00 C ATOM 81 C PRO A 6 13.574 -6.745 5.734 1.00 0.00 C ATOM 82 O PRO A 6 13.161 -7.588 6.535 1.00 0.00 O ATOM 83 CB PRO A 6 15.962 -5.937 5.861 1.00 0.00 C ATOM 84 CG PRO A 6 16.331 -4.871 4.881 1.00 0.00 C ATOM 85 CD PRO A 6 16.099 -5.443 3.511 1.00 0.00 C ATOM 0 HA PRO A 6 15.236 -7.919 5.231 1.00 0.00 H new ATOM 0 HB2 PRO A 6 15.506 -5.506 6.752 1.00 0.00 H new ATOM 0 HB3 PRO A 6 16.844 -6.486 6.189 1.00 0.00 H new ATOM 0 HG2 PRO A 6 15.725 -3.978 5.035 1.00 0.00 H new ATOM 0 HG3 PRO A 6 17.373 -4.575 5.005 1.00 0.00 H new ATOM 0 HD2 PRO A 6 15.797 -4.674 2.799 1.00 0.00 H new ATOM 0 HD3 PRO A 6 16.999 -5.911 3.112 1.00 0.00 H new ATOM 93 N ALA A 7 12.856 -5.699 5.321 1.00 0.00 N ATOM 94 CA ALA A 7 11.464 -5.470 5.714 1.00 0.00 C ATOM 95 C ALA A 7 11.312 -5.146 7.201 1.00 0.00 C ATOM 96 O ALA A 7 12.156 -5.493 8.031 1.00 0.00 O ATOM 97 CB ALA A 7 10.594 -6.663 5.335 1.00 0.00 C ATOM 0 H ALA A 7 13.227 -4.981 4.699 1.00 0.00 H new ATOM 0 HA ALA A 7 11.125 -4.592 5.164 1.00 0.00 H new ATOM 0 HB1 ALA A 7 9.564 -6.472 5.636 1.00 0.00 H new ATOM 0 HB2 ALA A 7 10.635 -6.815 4.256 1.00 0.00 H new ATOM 0 HB3 ALA A 7 10.960 -7.556 5.841 1.00 0.00 H new ATOM 103 N LYS A 8 10.225 -4.460 7.528 1.00 0.00 N ATOM 104 CA LYS A 8 9.909 -4.131 8.910 1.00 0.00 C ATOM 105 C LYS A 8 8.631 -4.840 9.343 1.00 0.00 C ATOM 106 O LYS A 8 8.652 -5.675 10.247 1.00 0.00 O ATOM 107 CB LYS A 8 9.760 -2.614 9.081 1.00 0.00 C ATOM 108 CG LYS A 8 10.960 -1.938 9.733 1.00 0.00 C ATOM 109 CD LYS A 8 12.248 -2.155 8.949 1.00 0.00 C ATOM 110 CE LYS A 8 13.427 -1.483 9.638 1.00 0.00 C ATOM 111 NZ LYS A 8 14.720 -1.782 8.970 1.00 0.00 N ATOM 0 H LYS A 8 9.544 -4.119 6.850 1.00 0.00 H new ATOM 0 HA LYS A 8 10.729 -4.471 9.542 1.00 0.00 H new ATOM 0 HB2 LYS A 8 9.591 -2.164 8.103 1.00 0.00 H new ATOM 0 HB3 LYS A 8 8.873 -2.413 9.682 1.00 0.00 H new ATOM 0 HG2 LYS A 8 10.767 -0.869 9.821 1.00 0.00 H new ATOM 0 HG3 LYS A 8 11.085 -2.323 10.745 1.00 0.00 H new ATOM 0 HD2 LYS A 8 12.441 -3.223 8.849 1.00 0.00 H new ATOM 0 HD3 LYS A 8 12.136 -1.756 7.941 1.00 0.00 H new ATOM 0 HE2 LYS A 8 13.269 -0.405 9.652 1.00 0.00 H new ATOM 0 HE3 LYS A 8 13.473 -1.812 10.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 15.491 -1.302 9.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 14.886 -2.809 8.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 14.689 -1.445 7.987 1.00 0.00 H new ATOM 125 N LEU A 9 7.528 -4.507 8.677 1.00 0.00 N ATOM 126 CA LEU A 9 6.221 -5.094 8.968 1.00 0.00 C ATOM 127 C LEU A 9 5.189 -4.546 7.987 1.00 0.00 C ATOM 128 O LEU A 9 4.751 -3.402 8.112 1.00 0.00 O ATOM 129 CB LEU A 9 5.788 -4.786 10.407 1.00 0.00 C ATOM 130 CG LEU A 9 4.472 -5.426 10.845 1.00 0.00 C ATOM 131 CD1 LEU A 9 4.583 -6.937 10.803 1.00 0.00 C ATOM 132 CD2 LEU A 9 4.093 -4.957 12.243 1.00 0.00 C ATOM 0 H LEU A 9 7.514 -3.823 7.921 1.00 0.00 H new ATOM 0 HA LEU A 9 6.294 -6.176 8.860 1.00 0.00 H new ATOM 0 HB2 LEU A 9 6.576 -5.115 11.084 1.00 0.00 H new ATOM 0 HB3 LEU A 9 5.702 -3.705 10.519 1.00 0.00 H new ATOM 0 HG LEU A 9 3.687 -5.117 10.154 1.00 0.00 H new ATOM 0 HD11 LEU A 9 3.638 -7.380 11.118 1.00 0.00 H new ATOM 0 HD12 LEU A 9 4.813 -7.257 9.787 1.00 0.00 H new ATOM 0 HD13 LEU A 9 5.378 -7.262 11.475 1.00 0.00 H new ATOM 0 HD21 LEU A 9 3.153 -5.422 12.540 1.00 0.00 H new ATOM 0 HD22 LEU A 9 4.876 -5.240 12.946 1.00 0.00 H new ATOM 0 HD23 LEU A 9 3.978 -3.873 12.244 1.00 0.00 H new ATOM 144 N GLN A 10 4.818 -5.345 6.994 1.00 0.00 N ATOM 145 CA GLN A 10 3.919 -4.872 5.949 1.00 0.00 C ATOM 146 C GLN A 10 2.756 -5.830 5.722 1.00 0.00 C ATOM 147 O GLN A 10 2.562 -6.788 6.468 1.00 0.00 O ATOM 148 CB GLN A 10 4.670 -4.659 4.628 1.00 0.00 C ATOM 149 CG GLN A 10 5.805 -3.651 4.715 1.00 0.00 C ATOM 150 CD GLN A 10 7.118 -4.268 5.168 1.00 0.00 C ATOM 151 OE1 GLN A 10 7.916 -3.625 5.850 1.00 0.00 O ATOM 152 NE2 GLN A 10 7.359 -5.513 4.781 1.00 0.00 N ATOM 0 H GLN A 10 5.122 -6.313 6.890 1.00 0.00 H new ATOM 0 HA GLN A 10 3.517 -3.918 6.292 1.00 0.00 H new ATOM 0 HB2 GLN A 10 5.072 -5.615 4.293 1.00 0.00 H new ATOM 0 HB3 GLN A 10 3.961 -4.328 3.869 1.00 0.00 H new ATOM 0 HG2 GLN A 10 5.946 -3.187 3.739 1.00 0.00 H new ATOM 0 HG3 GLN A 10 5.526 -2.857 5.408 1.00 0.00 H new ATOM 0 HE21 GLN A 10 6.673 -6.013 4.216 1.00 0.00 H new ATOM 0 HE22 GLN A 10 8.231 -5.970 5.048 1.00 0.00 H new ATOM 161 N ILE A 11 2.000 -5.557 4.664 1.00 0.00 N ATOM 162 CA ILE A 11 0.787 -6.301 4.342 1.00 0.00 C ATOM 163 C ILE A 11 1.071 -7.455 3.382 1.00 0.00 C ATOM 164 O ILE A 11 0.159 -8.180 2.979 1.00 0.00 O ATOM 165 CB ILE A 11 -0.274 -5.350 3.726 1.00 0.00 C ATOM 166 CG1 ILE A 11 0.268 -4.610 2.494 1.00 0.00 C ATOM 167 CG2 ILE A 11 -0.743 -4.346 4.766 1.00 0.00 C ATOM 168 CD1 ILE A 11 0.210 -5.415 1.212 1.00 0.00 C ATOM 0 H ILE A 11 2.212 -4.810 4.003 1.00 0.00 H new ATOM 0 HA ILE A 11 0.402 -6.724 5.270 1.00 0.00 H new ATOM 0 HB ILE A 11 -1.116 -5.963 3.403 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -0.300 -3.689 2.358 1.00 0.00 H new ATOM 0 HG13 ILE A 11 1.302 -4.322 2.683 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -1.487 -3.684 4.323 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -1.185 -4.876 5.610 1.00 0.00 H new ATOM 0 HG23 ILE A 11 0.106 -3.757 5.112 1.00 0.00 H new ATOM 0 HD11 ILE A 11 0.611 -4.821 0.391 1.00 0.00 H new ATOM 0 HD12 ILE A 11 0.802 -6.323 1.326 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -0.825 -5.681 0.996 1.00 0.00 H new ATOM 180 N VAL A 12 2.342 -7.618 3.036 1.00 0.00 N ATOM 181 CA VAL A 12 2.754 -8.552 1.992 1.00 0.00 C ATOM 182 C VAL A 12 2.614 -10.020 2.412 1.00 0.00 C ATOM 183 O VAL A 12 3.588 -10.675 2.789 1.00 0.00 O ATOM 184 CB VAL A 12 4.200 -8.269 1.526 1.00 0.00 C ATOM 185 CG1 VAL A 12 4.247 -6.991 0.708 1.00 0.00 C ATOM 186 CG2 VAL A 12 5.155 -8.167 2.710 1.00 0.00 C ATOM 0 H VAL A 12 3.114 -7.110 3.468 1.00 0.00 H new ATOM 0 HA VAL A 12 2.072 -8.389 1.158 1.00 0.00 H new ATOM 0 HB VAL A 12 4.521 -9.105 0.905 1.00 0.00 H new ATOM 0 HG11 VAL A 12 5.271 -6.803 0.386 1.00 0.00 H new ATOM 0 HG12 VAL A 12 3.605 -7.095 -0.166 1.00 0.00 H new ATOM 0 HG13 VAL A 12 3.899 -6.156 1.317 1.00 0.00 H new ATOM 0 HG21 VAL A 12 6.164 -7.968 2.348 1.00 0.00 H new ATOM 0 HG22 VAL A 12 4.837 -7.355 3.365 1.00 0.00 H new ATOM 0 HG23 VAL A 12 5.148 -9.105 3.265 1.00 0.00 H new ATOM 196 N GLN A 13 1.384 -10.516 2.354 1.00 0.00 N ATOM 197 CA GLN A 13 1.093 -11.920 2.604 1.00 0.00 C ATOM 198 C GLN A 13 -0.369 -12.209 2.294 1.00 0.00 C ATOM 199 O GLN A 13 -0.680 -12.890 1.317 1.00 0.00 O ATOM 200 CB GLN A 13 1.416 -12.314 4.048 1.00 0.00 C ATOM 201 CG GLN A 13 1.246 -13.799 4.313 1.00 0.00 C ATOM 202 CD GLN A 13 1.760 -14.212 5.674 1.00 0.00 C ATOM 203 OE1 GLN A 13 1.021 -14.212 6.659 1.00 0.00 O ATOM 204 NE2 GLN A 13 3.032 -14.569 5.738 1.00 0.00 N ATOM 0 H GLN A 13 0.561 -9.955 2.132 1.00 0.00 H new ATOM 0 HA GLN A 13 1.727 -12.517 1.949 1.00 0.00 H new ATOM 0 HB2 GLN A 13 2.442 -12.026 4.276 1.00 0.00 H new ATOM 0 HB3 GLN A 13 0.770 -11.754 4.724 1.00 0.00 H new ATOM 0 HG2 GLN A 13 0.191 -14.060 4.233 1.00 0.00 H new ATOM 0 HG3 GLN A 13 1.773 -14.364 3.544 1.00 0.00 H new ATOM 0 HE21 GLN A 13 3.609 -14.554 4.897 1.00 0.00 H new ATOM 0 HE22 GLN A 13 3.436 -14.859 6.628 1.00 0.00 H new ATOM 213 N GLN A 14 -1.268 -11.678 3.114 1.00 0.00 N ATOM 214 CA GLN A 14 -2.693 -11.918 2.925 1.00 0.00 C ATOM 215 C GLN A 14 -3.538 -10.751 3.431 1.00 0.00 C ATOM 216 O GLN A 14 -4.754 -10.874 3.568 1.00 0.00 O ATOM 217 CB GLN A 14 -3.107 -13.204 3.640 1.00 0.00 C ATOM 218 CG GLN A 14 -2.862 -13.176 5.141 1.00 0.00 C ATOM 219 CD GLN A 14 -3.317 -14.449 5.822 1.00 0.00 C ATOM 220 OE1 GLN A 14 -3.287 -15.526 5.232 1.00 0.00 O ATOM 221 NE2 GLN A 14 -3.741 -14.336 7.068 1.00 0.00 N ATOM 0 H GLN A 14 -1.038 -11.083 3.910 1.00 0.00 H new ATOM 0 HA GLN A 14 -2.870 -12.019 1.854 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -4.166 -13.386 3.457 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -2.560 -14.042 3.207 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -1.799 -13.025 5.331 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -3.387 -12.326 5.577 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -3.750 -13.423 7.523 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -4.059 -15.162 7.575 1.00 0.00 H new ATOM 230 N ARG A 15 -2.906 -9.616 3.699 1.00 0.00 N ATOM 231 CA ARG A 15 -3.639 -8.454 4.179 1.00 0.00 C ATOM 232 C ARG A 15 -4.359 -7.769 3.024 1.00 0.00 C ATOM 233 O ARG A 15 -3.752 -7.454 2.005 1.00 0.00 O ATOM 234 CB ARG A 15 -2.717 -7.471 4.894 1.00 0.00 C ATOM 235 CG ARG A 15 -2.209 -7.969 6.239 1.00 0.00 C ATOM 236 CD ARG A 15 -1.575 -6.839 7.033 1.00 0.00 C ATOM 237 NE ARG A 15 -1.112 -7.266 8.351 1.00 0.00 N ATOM 238 CZ ARG A 15 -1.290 -6.557 9.465 1.00 0.00 C ATOM 239 NH1 ARG A 15 -1.940 -5.398 9.419 1.00 0.00 N ATOM 240 NH2 ARG A 15 -0.814 -7.003 10.621 1.00 0.00 N ATOM 0 H ARG A 15 -1.901 -9.476 3.594 1.00 0.00 H new ATOM 0 HA ARG A 15 -4.380 -8.798 4.901 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -1.863 -7.256 4.251 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -3.249 -6.531 5.043 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -3.034 -8.399 6.807 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -1.479 -8.764 6.085 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -0.734 -6.433 6.471 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -2.299 -6.032 7.150 1.00 0.00 H new ATOM 0 HE ARG A 15 -0.624 -8.159 8.423 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -2.303 -5.051 8.531 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -2.076 -4.855 10.272 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -0.311 -7.890 10.657 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -0.951 -6.459 11.473 1.00 0.00 H new ATOM 254 N VAL A 16 -5.661 -7.563 3.193 1.00 0.00 N ATOM 255 CA VAL A 16 -6.493 -6.947 2.160 1.00 0.00 C ATOM 256 C VAL A 16 -6.190 -5.453 2.034 1.00 0.00 C ATOM 257 O VAL A 16 -6.555 -4.807 1.049 1.00 0.00 O ATOM 258 CB VAL A 16 -7.998 -7.147 2.467 1.00 0.00 C ATOM 259 CG1 VAL A 16 -8.864 -6.722 1.289 1.00 0.00 C ATOM 260 CG2 VAL A 16 -8.281 -8.593 2.840 1.00 0.00 C ATOM 0 H VAL A 16 -6.168 -7.815 4.042 1.00 0.00 H new ATOM 0 HA VAL A 16 -6.258 -7.437 1.215 1.00 0.00 H new ATOM 0 HB VAL A 16 -8.251 -6.512 3.316 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -9.915 -6.875 1.536 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -8.692 -5.668 1.072 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -8.607 -7.319 0.414 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -9.343 -8.713 3.052 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -8.001 -9.244 2.012 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -7.702 -8.861 3.724 1.00 0.00 H new ATOM 270 N PHE A 17 -5.518 -4.913 3.042 1.00 0.00 N ATOM 271 CA PHE A 17 -5.137 -3.509 3.043 1.00 0.00 C ATOM 272 C PHE A 17 -4.069 -3.259 1.987 1.00 0.00 C ATOM 273 O PHE A 17 -3.034 -3.927 1.968 1.00 0.00 O ATOM 274 CB PHE A 17 -4.620 -3.092 4.422 1.00 0.00 C ATOM 275 CG PHE A 17 -5.597 -3.347 5.538 1.00 0.00 C ATOM 276 CD1 PHE A 17 -6.643 -2.471 5.775 1.00 0.00 C ATOM 277 CD2 PHE A 17 -5.463 -4.463 6.350 1.00 0.00 C ATOM 278 CE1 PHE A 17 -7.542 -2.705 6.800 1.00 0.00 C ATOM 279 CE2 PHE A 17 -6.358 -4.702 7.375 1.00 0.00 C ATOM 280 CZ PHE A 17 -7.398 -3.821 7.601 1.00 0.00 C ATOM 0 H PHE A 17 -5.225 -5.429 3.872 1.00 0.00 H new ATOM 0 HA PHE A 17 -6.017 -2.910 2.809 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -3.695 -3.630 4.631 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -4.374 -2.030 4.402 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -6.758 -1.596 5.153 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -4.650 -5.153 6.179 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -8.355 -2.016 6.974 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -6.245 -5.576 7.999 1.00 0.00 H new ATOM 0 HZ PHE A 17 -8.098 -4.005 8.403 1.00 0.00 H new ATOM 290 N LEU A 18 -4.328 -2.301 1.115 1.00 0.00 N ATOM 291 CA LEU A 18 -3.428 -2.009 0.013 1.00 0.00 C ATOM 292 C LEU A 18 -2.386 -0.976 0.423 1.00 0.00 C ATOM 293 O LEU A 18 -2.353 -0.528 1.568 1.00 0.00 O ATOM 294 CB LEU A 18 -4.210 -1.526 -1.210 1.00 0.00 C ATOM 295 CG LEU A 18 -5.194 -2.544 -1.795 1.00 0.00 C ATOM 296 CD1 LEU A 18 -5.902 -1.968 -3.011 1.00 0.00 C ATOM 297 CD2 LEU A 18 -4.474 -3.832 -2.166 1.00 0.00 C ATOM 0 H LEU A 18 -5.158 -1.709 1.149 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.909 -2.930 -0.252 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -4.761 -0.626 -0.937 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -3.500 -1.242 -1.987 1.00 0.00 H new ATOM 0 HG LEU A 18 -5.941 -2.770 -1.034 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -6.596 -2.707 -3.412 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -6.452 -1.072 -2.722 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -5.166 -1.711 -3.773 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -5.190 -4.543 -2.580 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.705 -3.618 -2.908 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -4.011 -4.259 -1.276 1.00 0.00 H new ATOM 309 N LYS A 19 -1.524 -0.623 -0.517 1.00 0.00 N ATOM 310 CA LYS A 19 -0.425 0.292 -0.250 1.00 0.00 C ATOM 311 C LYS A 19 -0.747 1.699 -0.740 1.00 0.00 C ATOM 312 O LYS A 19 -1.797 1.937 -1.341 1.00 0.00 O ATOM 313 CB LYS A 19 0.836 -0.209 -0.941 1.00 0.00 C ATOM 314 CG LYS A 19 1.283 -1.583 -0.475 1.00 0.00 C ATOM 315 CD LYS A 19 2.048 -1.523 0.834 1.00 0.00 C ATOM 316 CE LYS A 19 3.132 -2.589 0.866 1.00 0.00 C ATOM 317 NZ LYS A 19 4.001 -2.527 -0.344 1.00 0.00 N ATOM 0 H LYS A 19 -1.565 -0.959 -1.479 1.00 0.00 H new ATOM 0 HA LYS A 19 -0.269 0.331 0.828 1.00 0.00 H new ATOM 0 HB2 LYS A 19 0.663 -0.239 -2.017 1.00 0.00 H new ATOM 0 HB3 LYS A 19 1.642 0.504 -0.768 1.00 0.00 H new ATOM 0 HG2 LYS A 19 0.411 -2.226 -0.355 1.00 0.00 H new ATOM 0 HG3 LYS A 19 1.911 -2.038 -1.241 1.00 0.00 H new ATOM 0 HD2 LYS A 19 2.496 -0.537 0.956 1.00 0.00 H new ATOM 0 HD3 LYS A 19 1.363 -1.667 1.669 1.00 0.00 H new ATOM 0 HE2 LYS A 19 3.743 -2.461 1.760 1.00 0.00 H new ATOM 0 HE3 LYS A 19 2.672 -3.575 0.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 4.974 -2.791 -0.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 3.642 -3.187 -1.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 3.994 -1.560 -0.727 1.00 0.00 H new ATOM 331 N LYS A 20 0.170 2.624 -0.484 1.00 0.00 N ATOM 332 CA LYS A 20 0.006 4.003 -0.913 1.00 0.00 C ATOM 333 C LYS A 20 0.745 4.220 -2.217 1.00 0.00 C ATOM 334 O LYS A 20 1.946 3.974 -2.304 1.00 0.00 O ATOM 335 CB LYS A 20 0.551 4.970 0.133 1.00 0.00 C ATOM 336 CG LYS A 20 0.083 4.678 1.545 1.00 0.00 C ATOM 337 CD LYS A 20 0.723 5.624 2.540 1.00 0.00 C ATOM 338 CE LYS A 20 2.235 5.498 2.534 1.00 0.00 C ATOM 339 NZ LYS A 20 2.870 6.540 3.381 1.00 0.00 N ATOM 0 H LYS A 20 1.037 2.441 0.021 1.00 0.00 H new ATOM 0 HA LYS A 20 -1.059 4.194 -1.046 1.00 0.00 H new ATOM 0 HB2 LYS A 20 1.640 4.940 0.109 1.00 0.00 H new ATOM 0 HB3 LYS A 20 0.254 5.984 -0.135 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -1.002 4.770 1.598 1.00 0.00 H new ATOM 0 HG3 LYS A 20 0.329 3.649 1.807 1.00 0.00 H new ATOM 0 HD2 LYS A 20 0.441 6.650 2.301 1.00 0.00 H new ATOM 0 HD3 LYS A 20 0.343 5.414 3.540 1.00 0.00 H new ATOM 0 HE2 LYS A 20 2.521 4.510 2.895 1.00 0.00 H new ATOM 0 HE3 LYS A 20 2.604 5.583 1.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 3.902 6.416 3.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 2.630 7.482 3.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 2.522 6.453 4.357 1.00 0.00 H new ATOM 353 N VAL A 21 0.038 4.691 -3.218 1.00 0.00 N ATOM 354 CA VAL A 21 0.628 4.877 -4.524 1.00 0.00 C ATOM 355 C VAL A 21 0.903 6.355 -4.782 1.00 0.00 C ATOM 356 O VAL A 21 0.036 7.205 -4.599 1.00 0.00 O ATOM 357 CB VAL A 21 -0.264 4.274 -5.632 1.00 0.00 C ATOM 358 CG1 VAL A 21 -1.677 4.829 -5.574 1.00 0.00 C ATOM 359 CG2 VAL A 21 0.348 4.504 -7.002 1.00 0.00 C ATOM 0 H VAL A 21 -0.946 4.952 -3.153 1.00 0.00 H new ATOM 0 HA VAL A 21 1.579 4.345 -4.545 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.324 3.200 -5.458 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -2.276 4.383 -6.368 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -2.121 4.592 -4.607 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -1.649 5.911 -5.705 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -0.297 4.071 -7.766 1.00 0.00 H new ATOM 0 HG22 VAL A 21 0.452 5.574 -7.179 1.00 0.00 H new ATOM 0 HG23 VAL A 21 1.329 4.032 -7.046 1.00 0.00 H new ATOM 369 N CYS A 22 2.140 6.651 -5.145 1.00 0.00 N ATOM 370 CA CYS A 22 2.552 8.002 -5.502 1.00 0.00 C ATOM 371 C CYS A 22 1.756 8.508 -6.692 1.00 0.00 C ATOM 372 O CYS A 22 1.630 7.815 -7.695 1.00 0.00 O ATOM 373 CB CYS A 22 4.045 7.988 -5.833 1.00 0.00 C ATOM 374 SG CYS A 22 4.748 9.538 -6.500 1.00 0.00 S ATOM 0 H CYS A 22 2.889 5.961 -5.201 1.00 0.00 H new ATOM 0 HA CYS A 22 2.364 8.672 -4.663 1.00 0.00 H new ATOM 0 HB2 CYS A 22 4.593 7.727 -4.927 1.00 0.00 H new ATOM 0 HB3 CYS A 22 4.227 7.192 -6.556 1.00 0.00 H new ATOM 379 N ARG A 23 1.226 9.719 -6.585 1.00 0.00 N ATOM 380 CA ARG A 23 0.448 10.292 -7.680 1.00 0.00 C ATOM 381 C ARG A 23 1.363 10.923 -8.730 1.00 0.00 C ATOM 382 O ARG A 23 0.895 11.520 -9.699 1.00 0.00 O ATOM 383 CB ARG A 23 -0.568 11.320 -7.170 1.00 0.00 C ATOM 384 CG ARG A 23 0.033 12.538 -6.487 1.00 0.00 C ATOM 385 CD ARG A 23 -1.046 13.571 -6.198 1.00 0.00 C ATOM 386 NE ARG A 23 -0.538 14.748 -5.498 1.00 0.00 N ATOM 387 CZ ARG A 23 -0.840 15.999 -5.840 1.00 0.00 C ATOM 388 NH1 ARG A 23 -1.585 16.232 -6.916 1.00 0.00 N ATOM 389 NH2 ARG A 23 -0.381 17.010 -5.113 1.00 0.00 N ATOM 0 H ARG A 23 1.317 10.318 -5.764 1.00 0.00 H new ATOM 0 HA ARG A 23 -0.105 9.477 -8.147 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -1.174 11.657 -8.011 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -1.241 10.826 -6.470 1.00 0.00 H new ATOM 0 HG2 ARG A 23 0.518 12.239 -5.557 1.00 0.00 H new ATOM 0 HG3 ARG A 23 0.803 12.976 -7.122 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -1.503 13.883 -7.137 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -1.831 13.110 -5.599 1.00 0.00 H new ATOM 0 HE ARG A 23 0.083 14.603 -4.702 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -1.925 15.453 -7.479 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -1.817 17.190 -7.178 1.00 0.00 H new ATOM 0 HH21 ARG A 23 0.201 16.827 -4.295 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -0.610 17.970 -5.372 1.00 0.00 H new ATOM 403 N LYS A 24 2.669 10.776 -8.536 1.00 0.00 N ATOM 404 CA LYS A 24 3.650 11.343 -9.453 1.00 0.00 C ATOM 405 C LYS A 24 4.304 10.256 -10.303 1.00 0.00 C ATOM 406 O LYS A 24 4.392 10.378 -11.521 1.00 0.00 O ATOM 407 CB LYS A 24 4.701 12.119 -8.682 1.00 0.00 C ATOM 408 CG LYS A 24 4.086 13.183 -7.808 1.00 0.00 C ATOM 409 CD LYS A 24 5.119 14.159 -7.312 1.00 0.00 C ATOM 410 CE LYS A 24 5.710 14.977 -8.447 1.00 0.00 C ATOM 411 NZ LYS A 24 6.746 15.921 -7.961 1.00 0.00 N ATOM 0 H LYS A 24 3.073 10.268 -7.750 1.00 0.00 H new ATOM 0 HA LYS A 24 3.131 12.026 -10.126 1.00 0.00 H new ATOM 0 HB2 LYS A 24 5.279 11.432 -8.065 1.00 0.00 H new ATOM 0 HB3 LYS A 24 5.397 12.582 -9.382 1.00 0.00 H new ATOM 0 HG2 LYS A 24 3.320 13.718 -8.369 1.00 0.00 H new ATOM 0 HG3 LYS A 24 3.590 12.714 -6.958 1.00 0.00 H new ATOM 0 HD2 LYS A 24 4.666 14.827 -6.579 1.00 0.00 H new ATOM 0 HD3 LYS A 24 5.915 13.618 -6.801 1.00 0.00 H new ATOM 0 HE2 LYS A 24 6.146 14.308 -9.189 1.00 0.00 H new ATOM 0 HE3 LYS A 24 4.917 15.533 -8.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 7.127 16.462 -8.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 6.324 16.575 -7.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 7.515 15.389 -7.507 1.00 0.00 H new ATOM 425 N CYS A 25 4.769 9.196 -9.654 1.00 0.00 N ATOM 426 CA CYS A 25 5.389 8.080 -10.371 1.00 0.00 C ATOM 427 C CYS A 25 4.391 6.952 -10.561 1.00 0.00 C ATOM 428 O CYS A 25 4.470 6.184 -11.519 1.00 0.00 O ATOM 429 CB CYS A 25 6.588 7.511 -9.602 1.00 0.00 C ATOM 430 SG CYS A 25 7.674 8.748 -8.832 1.00 0.00 S ATOM 0 H CYS A 25 4.731 9.082 -8.641 1.00 0.00 H new ATOM 0 HA CYS A 25 5.721 8.471 -11.333 1.00 0.00 H new ATOM 0 HB2 CYS A 25 6.216 6.843 -8.825 1.00 0.00 H new ATOM 0 HB3 CYS A 25 7.182 6.905 -10.285 1.00 0.00 H new ATOM 435 N GLY A 26 3.446 6.860 -9.638 1.00 0.00 N ATOM 436 CA GLY A 26 2.626 5.675 -9.545 1.00 0.00 C ATOM 437 C GLY A 26 3.319 4.612 -8.720 1.00 0.00 C ATOM 438 O GLY A 26 2.998 3.429 -8.811 1.00 0.00 O ATOM 0 H GLY A 26 3.234 7.585 -8.953 1.00 0.00 H new ATOM 0 HA2 GLY A 26 1.666 5.925 -9.094 1.00 0.00 H new ATOM 0 HA3 GLY A 26 2.418 5.290 -10.544 1.00 0.00 H new ATOM 442 N ALA A 27 4.276 5.056 -7.911 1.00 0.00 N ATOM 443 CA ALA A 27 5.075 4.165 -7.082 1.00 0.00 C ATOM 444 C ALA A 27 4.344 3.813 -5.801 1.00 0.00 C ATOM 445 O ALA A 27 4.040 4.690 -4.988 1.00 0.00 O ATOM 446 CB ALA A 27 6.418 4.810 -6.758 1.00 0.00 C ATOM 0 H ALA A 27 4.518 6.042 -7.813 1.00 0.00 H new ATOM 0 HA ALA A 27 5.247 3.245 -7.641 1.00 0.00 H new ATOM 0 HB1 ALA A 27 7.006 4.134 -6.138 1.00 0.00 H new ATOM 0 HB2 ALA A 27 6.956 5.014 -7.684 1.00 0.00 H new ATOM 0 HB3 ALA A 27 6.253 5.744 -6.221 1.00 0.00 H new ATOM 452 N LEU A 28 4.068 2.536 -5.628 1.00 0.00 N ATOM 453 CA LEU A 28 3.375 2.061 -4.446 1.00 0.00 C ATOM 454 C LEU A 28 4.374 1.786 -3.332 1.00 0.00 C ATOM 455 O LEU A 28 5.219 0.898 -3.445 1.00 0.00 O ATOM 456 CB LEU A 28 2.577 0.793 -4.765 1.00 0.00 C ATOM 457 CG LEU A 28 1.717 0.866 -6.032 1.00 0.00 C ATOM 458 CD1 LEU A 28 2.458 0.278 -7.223 1.00 0.00 C ATOM 459 CD2 LEU A 28 0.388 0.156 -5.818 1.00 0.00 C ATOM 0 H LEU A 28 4.314 1.804 -6.295 1.00 0.00 H new ATOM 0 HA LEU A 28 2.680 2.833 -4.116 1.00 0.00 H new ATOM 0 HB2 LEU A 28 3.273 -0.040 -4.865 1.00 0.00 H new ATOM 0 HB3 LEU A 28 1.929 0.567 -3.918 1.00 0.00 H new ATOM 0 HG LEU A 28 1.513 1.915 -6.246 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.828 0.341 -8.110 1.00 0.00 H new ATOM 0 HD12 LEU A 28 3.378 0.837 -7.391 1.00 0.00 H new ATOM 0 HD13 LEU A 28 2.699 -0.766 -7.022 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -0.209 0.218 -6.728 1.00 0.00 H new ATOM 0 HD22 LEU A 28 0.570 -0.891 -5.574 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.150 0.631 -4.998 1.00 0.00 H new ATOM 471 N ASN A 29 4.283 2.553 -2.260 1.00 0.00 N ATOM 472 CA ASN A 29 5.224 2.430 -1.169 1.00 0.00 C ATOM 473 C ASN A 29 4.567 1.710 -0.009 1.00 0.00 C ATOM 474 O ASN A 29 3.337 1.688 0.094 1.00 0.00 O ATOM 475 CB ASN A 29 5.717 3.813 -0.744 1.00 0.00 C ATOM 476 CG ASN A 29 6.574 4.461 -1.811 1.00 0.00 C ATOM 477 OD1 ASN A 29 7.792 4.339 -1.804 1.00 0.00 O ATOM 478 ND2 ASN A 29 5.942 5.139 -2.752 1.00 0.00 N ATOM 0 H ASN A 29 3.566 3.266 -2.125 1.00 0.00 H new ATOM 0 HA ASN A 29 6.086 1.848 -1.496 1.00 0.00 H new ATOM 0 HB2 ASN A 29 4.861 4.453 -0.528 1.00 0.00 H new ATOM 0 HB3 ASN A 29 6.291 3.726 0.179 1.00 0.00 H new ATOM 0 HD21 ASN A 29 6.470 5.581 -3.504 1.00 0.00 H new ATOM 0 HD22 ASN A 29 4.926 5.220 -2.727 1.00 0.00 H new ATOM 485 N PRO A 30 5.357 1.086 0.872 1.00 0.00 N ATOM 486 CA PRO A 30 4.810 0.384 2.021 1.00 0.00 C ATOM 487 C PRO A 30 4.092 1.339 2.960 1.00 0.00 C ATOM 488 O PRO A 30 4.389 2.532 2.992 1.00 0.00 O ATOM 489 CB PRO A 30 6.035 -0.235 2.702 1.00 0.00 C ATOM 490 CG PRO A 30 7.192 0.563 2.216 1.00 0.00 C ATOM 491 CD PRO A 30 6.829 1.026 0.828 1.00 0.00 C ATOM 0 HA PRO A 30 4.068 -0.362 1.734 1.00 0.00 H new ATOM 0 HB2 PRO A 30 5.950 -0.185 3.788 1.00 0.00 H new ATOM 0 HB3 PRO A 30 6.143 -1.287 2.439 1.00 0.00 H new ATOM 0 HG2 PRO A 30 7.383 1.412 2.872 1.00 0.00 H new ATOM 0 HG3 PRO A 30 8.101 -0.038 2.201 1.00 0.00 H new ATOM 0 HD2 PRO A 30 7.266 1.998 0.600 1.00 0.00 H new ATOM 0 HD3 PRO A 30 7.182 0.331 0.066 1.00 0.00 H new ATOM 499 N ILE A 31 3.149 0.807 3.719 1.00 0.00 N ATOM 500 CA ILE A 31 2.390 1.596 4.684 1.00 0.00 C ATOM 501 C ILE A 31 3.321 2.159 5.767 1.00 0.00 C ATOM 502 O ILE A 31 2.944 3.036 6.543 1.00 0.00 O ATOM 503 CB ILE A 31 1.269 0.750 5.337 1.00 0.00 C ATOM 504 CG1 ILE A 31 1.834 -0.269 6.349 1.00 0.00 C ATOM 505 CG2 ILE A 31 0.460 0.034 4.259 1.00 0.00 C ATOM 506 CD1 ILE A 31 2.591 -1.428 5.728 1.00 0.00 C ATOM 0 H ILE A 31 2.886 -0.178 3.687 1.00 0.00 H new ATOM 0 HA ILE A 31 1.927 2.424 4.148 1.00 0.00 H new ATOM 0 HB ILE A 31 0.617 1.429 5.887 1.00 0.00 H new ATOM 0 HG12 ILE A 31 2.498 0.254 7.037 1.00 0.00 H new ATOM 0 HG13 ILE A 31 1.010 -0.667 6.941 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -0.326 -0.558 4.727 1.00 0.00 H new ATOM 0 HG22 ILE A 31 0.011 0.770 3.592 1.00 0.00 H new ATOM 0 HG23 ILE A 31 1.116 -0.622 3.687 1.00 0.00 H new ATOM 0 HD11 ILE A 31 2.950 -2.091 6.515 1.00 0.00 H new ATOM 0 HD12 ILE A 31 1.928 -1.981 5.062 1.00 0.00 H new ATOM 0 HD13 ILE A 31 3.439 -1.046 5.160 1.00 0.00 H new ATOM 518 N ARG A 32 4.546 1.635 5.797 1.00 0.00 N ATOM 519 CA ARG A 32 5.569 2.079 6.736 1.00 0.00 C ATOM 520 C ARG A 32 6.341 3.274 6.190 1.00 0.00 C ATOM 521 O ARG A 32 6.917 4.052 6.950 1.00 0.00 O ATOM 522 CB ARG A 32 6.553 0.944 7.016 1.00 0.00 C ATOM 523 CG ARG A 32 5.908 -0.299 7.594 1.00 0.00 C ATOM 524 CD ARG A 32 5.273 -0.019 8.947 1.00 0.00 C ATOM 525 NE ARG A 32 6.240 0.519 9.906 1.00 0.00 N ATOM 526 CZ ARG A 32 6.488 -0.020 11.098 1.00 0.00 C ATOM 527 NH1 ARG A 32 5.836 -1.106 11.489 1.00 0.00 N ATOM 528 NH2 ARG A 32 7.381 0.539 11.906 1.00 0.00 N ATOM 0 H ARG A 32 4.854 0.891 5.171 1.00 0.00 H new ATOM 0 HA ARG A 32 5.065 2.375 7.656 1.00 0.00 H new ATOM 0 HB2 ARG A 32 7.061 0.680 6.089 1.00 0.00 H new ATOM 0 HB3 ARG A 32 7.316 1.300 7.708 1.00 0.00 H new ATOM 0 HG2 ARG A 32 5.150 -0.671 6.905 1.00 0.00 H new ATOM 0 HG3 ARG A 32 6.657 -1.084 7.698 1.00 0.00 H new ATOM 0 HD2 ARG A 32 4.453 0.689 8.823 1.00 0.00 H new ATOM 0 HD3 ARG A 32 4.843 -0.939 9.343 1.00 0.00 H new ATOM 0 HE ARG A 32 6.756 1.359 9.645 1.00 0.00 H new ATOM 0 HH11 ARG A 32 5.141 -1.532 10.876 1.00 0.00 H new ATOM 0 HH12 ARG A 32 6.029 -1.515 12.403 1.00 0.00 H new ATOM 0 HH21 ARG A 32 7.877 1.381 11.614 1.00 0.00 H new ATOM 0 HH22 ARG A 32 7.571 0.126 12.819 1.00 0.00 H new ATOM 542 N ALA A 33 6.358 3.411 4.870 1.00 0.00 N ATOM 543 CA ALA A 33 7.126 4.465 4.227 1.00 0.00 C ATOM 544 C ALA A 33 6.458 5.806 4.427 1.00 0.00 C ATOM 545 O ALA A 33 5.240 5.924 4.312 1.00 0.00 O ATOM 546 CB ALA A 33 7.289 4.189 2.744 1.00 0.00 C ATOM 0 H ALA A 33 5.849 2.805 4.226 1.00 0.00 H new ATOM 0 HA ALA A 33 8.113 4.487 4.688 1.00 0.00 H new ATOM 0 HB1 ALA A 33 7.867 4.992 2.286 1.00 0.00 H new ATOM 0 HB2 ALA A 33 7.810 3.242 2.605 1.00 0.00 H new ATOM 0 HB3 ALA A 33 6.307 4.135 2.274 1.00 0.00 H new ATOM 552 N THR A 34 7.256 6.813 4.714 1.00 0.00 N ATOM 553 CA THR A 34 6.735 8.143 4.938 1.00 0.00 C ATOM 554 C THR A 34 6.443 8.841 3.616 1.00 0.00 C ATOM 555 O THR A 34 5.591 9.731 3.541 1.00 0.00 O ATOM 556 CB THR A 34 7.713 8.984 5.793 1.00 0.00 C ATOM 557 OG1 THR A 34 7.251 10.333 5.912 1.00 0.00 O ATOM 558 CG2 THR A 34 9.112 8.968 5.190 1.00 0.00 C ATOM 0 H THR A 34 8.270 6.735 4.798 1.00 0.00 H new ATOM 0 HA THR A 34 5.799 8.047 5.488 1.00 0.00 H new ATOM 0 HB THR A 34 7.755 8.537 6.786 1.00 0.00 H new ATOM 0 HG1 THR A 34 7.882 10.848 6.457 1.00 0.00 H new ATOM 0 HG21 THR A 34 9.782 9.566 5.808 1.00 0.00 H new ATOM 0 HG22 THR A 34 9.478 7.942 5.146 1.00 0.00 H new ATOM 0 HG23 THR A 34 9.079 9.385 4.183 1.00 0.00 H new ATOM 566 N LYS A 35 7.124 8.419 2.563 1.00 0.00 N ATOM 567 CA LYS A 35 6.919 9.007 1.262 1.00 0.00 C ATOM 568 C LYS A 35 7.408 8.085 0.163 1.00 0.00 C ATOM 569 O LYS A 35 7.862 6.972 0.413 1.00 0.00 O ATOM 570 CB LYS A 35 7.628 10.359 1.166 1.00 0.00 C ATOM 571 CG LYS A 35 9.143 10.277 1.240 1.00 0.00 C ATOM 572 CD LYS A 35 9.748 11.656 1.401 1.00 0.00 C ATOM 573 CE LYS A 35 11.134 11.593 2.028 1.00 0.00 C ATOM 574 NZ LYS A 35 11.680 12.946 2.304 1.00 0.00 N ATOM 0 H LYS A 35 7.820 7.674 2.590 1.00 0.00 H new ATOM 0 HA LYS A 35 5.848 9.159 1.130 1.00 0.00 H new ATOM 0 HB2 LYS A 35 7.347 10.838 0.228 1.00 0.00 H new ATOM 0 HB3 LYS A 35 7.271 11.001 1.971 1.00 0.00 H new ATOM 0 HG2 LYS A 35 9.437 9.646 2.078 1.00 0.00 H new ATOM 0 HG3 LYS A 35 9.531 9.808 0.336 1.00 0.00 H new ATOM 0 HD2 LYS A 35 9.811 12.142 0.427 1.00 0.00 H new ATOM 0 HD3 LYS A 35 9.095 12.270 2.022 1.00 0.00 H new ATOM 0 HE2 LYS A 35 11.087 11.024 2.957 1.00 0.00 H new ATOM 0 HE3 LYS A 35 11.810 11.058 1.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 12.625 12.859 2.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 11.750 13.480 1.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 11.049 13.448 2.961 1.00 0.00 H new ATOM 588 N CYS A 36 7.302 8.583 -1.049 1.00 0.00 N ATOM 589 CA CYS A 36 7.710 7.871 -2.241 1.00 0.00 C ATOM 590 C CYS A 36 9.195 7.559 -2.218 1.00 0.00 C ATOM 591 O CYS A 36 10.004 8.449 -1.999 1.00 0.00 O ATOM 592 CB CYS A 36 7.420 8.763 -3.421 1.00 0.00 C ATOM 593 SG CYS A 36 7.782 8.057 -5.050 1.00 0.00 S ATOM 0 H CYS A 36 6.923 9.511 -1.238 1.00 0.00 H new ATOM 0 HA CYS A 36 7.168 6.927 -2.301 1.00 0.00 H new ATOM 0 HB2 CYS A 36 6.366 9.041 -3.392 1.00 0.00 H new ATOM 0 HB3 CYS A 36 7.995 9.682 -3.308 1.00 0.00 H new ATOM 598 N ARG A 37 9.552 6.312 -2.468 1.00 0.00 N ATOM 599 CA ARG A 37 10.957 5.932 -2.537 1.00 0.00 C ATOM 600 C ARG A 37 11.517 6.167 -3.940 1.00 0.00 C ATOM 601 O ARG A 37 12.643 5.779 -4.248 1.00 0.00 O ATOM 602 CB ARG A 37 11.137 4.472 -2.105 1.00 0.00 C ATOM 603 CG ARG A 37 10.433 3.463 -3.001 1.00 0.00 C ATOM 604 CD ARG A 37 10.247 2.125 -2.297 1.00 0.00 C ATOM 605 NE ARG A 37 11.513 1.578 -1.804 1.00 0.00 N ATOM 606 CZ ARG A 37 11.604 0.528 -0.988 1.00 0.00 C ATOM 607 NH1 ARG A 37 10.512 -0.130 -0.621 1.00 0.00 N ATOM 608 NH2 ARG A 37 12.793 0.126 -0.550 1.00 0.00 N ATOM 0 H ARG A 37 8.896 5.548 -2.626 1.00 0.00 H new ATOM 0 HA ARG A 37 11.520 6.562 -1.848 1.00 0.00 H new ATOM 0 HB2 ARG A 37 12.202 4.240 -2.083 1.00 0.00 H new ATOM 0 HB3 ARG A 37 10.765 4.358 -1.087 1.00 0.00 H new ATOM 0 HG2 ARG A 37 9.461 3.856 -3.300 1.00 0.00 H new ATOM 0 HG3 ARG A 37 11.012 3.318 -3.913 1.00 0.00 H new ATOM 0 HD2 ARG A 37 9.557 2.249 -1.462 1.00 0.00 H new ATOM 0 HD3 ARG A 37 9.790 1.415 -2.986 1.00 0.00 H new ATOM 0 HE ARG A 37 12.378 2.028 -2.103 1.00 0.00 H new ATOM 0 HH11 ARG A 37 9.598 0.167 -0.963 1.00 0.00 H new ATOM 0 HH12 ARG A 37 10.586 -0.933 0.004 1.00 0.00 H new ATOM 0 HH21 ARG A 37 13.637 0.621 -0.838 1.00 0.00 H new ATOM 0 HH22 ARG A 37 12.861 -0.678 0.074 1.00 0.00 H new ATOM 622 N ARG A 38 10.721 6.817 -4.779 1.00 0.00 N ATOM 623 CA ARG A 38 11.151 7.188 -6.124 1.00 0.00 C ATOM 624 C ARG A 38 11.500 8.671 -6.196 1.00 0.00 C ATOM 625 O ARG A 38 12.577 9.038 -6.660 1.00 0.00 O ATOM 626 CB ARG A 38 10.066 6.871 -7.157 1.00 0.00 C ATOM 627 CG ARG A 38 10.235 5.539 -7.875 1.00 0.00 C ATOM 628 CD ARG A 38 10.280 4.369 -6.910 1.00 0.00 C ATOM 629 NE ARG A 38 10.048 3.096 -7.591 1.00 0.00 N ATOM 630 CZ ARG A 38 10.881 2.059 -7.546 1.00 0.00 C ATOM 631 NH1 ARG A 38 12.061 2.174 -6.945 1.00 0.00 N ATOM 632 NH2 ARG A 38 10.544 0.916 -8.136 1.00 0.00 N ATOM 0 H ARG A 38 9.768 7.100 -4.551 1.00 0.00 H new ATOM 0 HA ARG A 38 12.040 6.601 -6.353 1.00 0.00 H new ATOM 0 HB2 ARG A 38 9.097 6.878 -6.658 1.00 0.00 H new ATOM 0 HB3 ARG A 38 10.048 7.668 -7.900 1.00 0.00 H new ATOM 0 HG2 ARG A 38 9.412 5.399 -8.575 1.00 0.00 H new ATOM 0 HG3 ARG A 38 11.153 5.559 -8.462 1.00 0.00 H new ATOM 0 HD2 ARG A 38 11.250 4.344 -6.413 1.00 0.00 H new ATOM 0 HD3 ARG A 38 9.528 4.509 -6.134 1.00 0.00 H new ATOM 0 HE ARG A 38 9.192 2.996 -8.136 1.00 0.00 H new ATOM 0 HH11 ARG A 38 12.331 3.059 -6.516 1.00 0.00 H new ATOM 0 HH12 ARG A 38 12.697 1.377 -6.913 1.00 0.00 H new ATOM 0 HH21 ARG A 38 9.650 0.836 -8.621 1.00 0.00 H new ATOM 0 HH22 ARG A 38 11.179 0.119 -8.104 1.00 0.00 H new ATOM 646 N CYS A 39 10.591 9.524 -5.727 1.00 0.00 N ATOM 647 CA CYS A 39 10.816 10.970 -5.804 1.00 0.00 C ATOM 648 C CYS A 39 10.803 11.626 -4.426 1.00 0.00 C ATOM 649 O CYS A 39 11.173 12.791 -4.298 1.00 0.00 O ATOM 650 CB CYS A 39 9.811 11.665 -6.752 1.00 0.00 C ATOM 651 SG CYS A 39 8.042 11.526 -6.293 1.00 0.00 S ATOM 0 H CYS A 39 9.708 9.249 -5.297 1.00 0.00 H new ATOM 0 HA CYS A 39 11.813 11.102 -6.224 1.00 0.00 H new ATOM 0 HB2 CYS A 39 10.069 12.723 -6.810 1.00 0.00 H new ATOM 0 HB3 CYS A 39 9.940 11.251 -7.752 1.00 0.00 H new ATOM 656 N HIS A 40 10.395 10.876 -3.386 1.00 0.00 N ATOM 657 CA HIS A 40 10.403 11.396 -2.016 1.00 0.00 C ATOM 658 C HIS A 40 9.615 12.704 -1.921 1.00 0.00 C ATOM 659 O HIS A 40 10.043 13.651 -1.269 1.00 0.00 O ATOM 660 CB HIS A 40 11.842 11.627 -1.524 1.00 0.00 C ATOM 661 CG HIS A 40 12.680 10.388 -1.410 1.00 0.00 C ATOM 662 ND1 HIS A 40 12.465 9.231 -0.746 1.00 0.00 N flip ATOM 663 CD2 HIS A 40 13.919 10.262 -1.995 1.00 0.00 C flip ATOM 664 CE1 HIS A 40 13.565 8.435 -0.935 1.00 0.00 C flip ATOM 665 NE2 HIS A 40 14.429 9.083 -1.695 1.00 0.00 N flip ATOM 0 H HIS A 40 10.059 9.917 -3.472 1.00 0.00 H new ATOM 0 HA HIS A 40 9.926 10.649 -1.381 1.00 0.00 H new ATOM 0 HB2 HIS A 40 12.336 12.320 -2.205 1.00 0.00 H new ATOM 0 HB3 HIS A 40 11.803 12.112 -0.549 1.00 0.00 H new ATOM 0 HD2 HIS A 40 14.400 11.012 -2.605 1.00 0.00 H new ATOM 0 HE1 HIS A 40 13.702 7.443 -0.530 1.00 0.00 H new ATOM 0 HE2 HIS A 40 15.337 8.731 -1.999 1.00 0.00 H new ATOM 674 N SER A 41 8.443 12.736 -2.533 1.00 0.00 N ATOM 675 CA SER A 41 7.687 13.977 -2.651 1.00 0.00 C ATOM 676 C SER A 41 6.439 13.952 -1.778 1.00 0.00 C ATOM 677 O SER A 41 5.532 14.755 -1.968 1.00 0.00 O ATOM 678 CB SER A 41 7.316 14.219 -4.112 1.00 0.00 C ATOM 679 OG SER A 41 8.484 14.330 -4.908 1.00 0.00 O ATOM 0 H SER A 41 7.994 11.923 -2.955 1.00 0.00 H new ATOM 0 HA SER A 41 8.315 14.796 -2.301 1.00 0.00 H new ATOM 0 HB2 SER A 41 6.696 13.400 -4.477 1.00 0.00 H new ATOM 0 HB3 SER A 41 6.723 15.129 -4.197 1.00 0.00 H new ATOM 0 HG SER A 41 8.552 13.551 -5.499 1.00 0.00 H new ATOM 685 N THR A 42 6.416 13.009 -0.831 1.00 0.00 N ATOM 686 CA THR A 42 5.346 12.888 0.171 1.00 0.00 C ATOM 687 C THR A 42 3.936 12.951 -0.428 1.00 0.00 C ATOM 688 O THR A 42 2.981 13.328 0.251 1.00 0.00 O ATOM 689 CB THR A 42 5.499 13.960 1.278 1.00 0.00 C ATOM 690 OG1 THR A 42 5.518 15.284 0.724 1.00 0.00 O ATOM 691 CG2 THR A 42 6.784 13.726 2.050 1.00 0.00 C ATOM 0 H THR A 42 7.144 12.301 -0.735 1.00 0.00 H new ATOM 0 HA THR A 42 5.460 11.895 0.606 1.00 0.00 H new ATOM 0 HB THR A 42 4.641 13.874 1.945 1.00 0.00 H new ATOM 0 HG1 THR A 42 5.614 15.939 1.446 1.00 0.00 H new ATOM 0 HG21 THR A 42 6.885 14.484 2.827 1.00 0.00 H new ATOM 0 HG22 THR A 42 6.758 12.737 2.509 1.00 0.00 H new ATOM 0 HG23 THR A 42 7.634 13.788 1.370 1.00 0.00 H new ATOM 699 N ASN A 43 3.797 12.534 -1.679 1.00 0.00 N ATOM 700 CA ASN A 43 2.505 12.568 -2.344 1.00 0.00 C ATOM 701 C ASN A 43 2.064 11.172 -2.745 1.00 0.00 C ATOM 702 O ASN A 43 2.203 10.759 -3.902 1.00 0.00 O ATOM 703 CB ASN A 43 2.534 13.502 -3.555 1.00 0.00 C ATOM 704 CG ASN A 43 2.158 14.923 -3.187 1.00 0.00 C ATOM 705 OD1 ASN A 43 0.994 15.305 -3.276 1.00 0.00 O ATOM 706 ND2 ASN A 43 3.128 15.712 -2.759 1.00 0.00 N ATOM 0 H ASN A 43 4.560 12.170 -2.250 1.00 0.00 H new ATOM 0 HA ASN A 43 1.775 12.961 -1.636 1.00 0.00 H new ATOM 0 HB2 ASN A 43 3.531 13.494 -3.995 1.00 0.00 H new ATOM 0 HB3 ASN A 43 1.847 13.131 -4.315 1.00 0.00 H new ATOM 0 HD21 ASN A 43 2.921 16.674 -2.489 1.00 0.00 H new ATOM 0 HD22 ASN A 43 4.083 15.359 -2.699 1.00 0.00 H new ATOM 713 N LEU A 44 1.583 10.433 -1.759 1.00 0.00 N ATOM 714 CA LEU A 44 1.079 9.088 -1.970 1.00 0.00 C ATOM 715 C LEU A 44 -0.404 9.046 -1.630 1.00 0.00 C ATOM 716 O LEU A 44 -0.899 9.902 -0.896 1.00 0.00 O ATOM 717 CB LEU A 44 1.832 8.099 -1.076 1.00 0.00 C ATOM 718 CG LEU A 44 3.342 8.326 -0.977 1.00 0.00 C ATOM 719 CD1 LEU A 44 3.950 7.414 0.077 1.00 0.00 C ATOM 720 CD2 LEU A 44 4.012 8.103 -2.319 1.00 0.00 C ATOM 0 H LEU A 44 1.531 10.749 -0.791 1.00 0.00 H new ATOM 0 HA LEU A 44 1.227 8.811 -3.014 1.00 0.00 H new ATOM 0 HB2 LEU A 44 1.408 8.145 -0.073 1.00 0.00 H new ATOM 0 HB3 LEU A 44 1.657 7.090 -1.450 1.00 0.00 H new ATOM 0 HG LEU A 44 3.510 9.361 -0.680 1.00 0.00 H new ATOM 0 HD11 LEU A 44 5.024 7.589 0.134 1.00 0.00 H new ATOM 0 HD12 LEU A 44 3.496 7.624 1.046 1.00 0.00 H new ATOM 0 HD13 LEU A 44 3.766 6.374 -0.192 1.00 0.00 H new ATOM 0 HD21 LEU A 44 5.085 8.270 -2.222 1.00 0.00 H new ATOM 0 HD22 LEU A 44 3.833 7.080 -2.650 1.00 0.00 H new ATOM 0 HD23 LEU A 44 3.601 8.798 -3.051 1.00 0.00 H new ATOM 732 N ARG A 45 -1.113 8.068 -2.164 1.00 0.00 N ATOM 733 CA ARG A 45 -2.508 7.866 -1.806 1.00 0.00 C ATOM 734 C ARG A 45 -2.758 6.403 -1.468 1.00 0.00 C ATOM 735 O ARG A 45 -2.505 5.511 -2.281 1.00 0.00 O ATOM 736 CB ARG A 45 -3.462 8.346 -2.913 1.00 0.00 C ATOM 737 CG ARG A 45 -3.234 7.710 -4.279 1.00 0.00 C ATOM 738 CD ARG A 45 -2.508 8.655 -5.228 1.00 0.00 C ATOM 739 NE ARG A 45 -2.294 8.057 -6.549 1.00 0.00 N ATOM 740 CZ ARG A 45 -2.759 8.576 -7.686 1.00 0.00 C ATOM 741 NH1 ARG A 45 -3.544 9.649 -7.660 1.00 0.00 N ATOM 742 NH2 ARG A 45 -2.463 8.007 -8.846 1.00 0.00 N ATOM 0 H ARG A 45 -0.749 7.402 -2.845 1.00 0.00 H new ATOM 0 HA ARG A 45 -2.715 8.471 -0.924 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -4.487 8.144 -2.601 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -3.366 9.427 -3.012 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -2.653 6.795 -4.162 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -4.193 7.425 -4.712 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -3.086 9.573 -5.336 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -1.546 8.932 -4.797 1.00 0.00 H new ATOM 0 HE ARG A 45 -1.757 7.191 -6.602 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -3.792 10.078 -6.768 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -3.898 10.043 -8.532 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -1.879 7.171 -8.870 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -2.819 8.405 -9.715 1.00 0.00 H new ATOM 756 N LEU A 46 -3.211 6.165 -0.245 1.00 0.00 N ATOM 757 CA LEU A 46 -3.530 4.823 0.219 1.00 0.00 C ATOM 758 C LEU A 46 -4.795 4.336 -0.483 1.00 0.00 C ATOM 759 O LEU A 46 -5.849 4.974 -0.395 1.00 0.00 O ATOM 760 CB LEU A 46 -3.700 4.837 1.753 1.00 0.00 C ATOM 761 CG LEU A 46 -3.708 3.471 2.467 1.00 0.00 C ATOM 762 CD1 LEU A 46 -5.060 2.786 2.346 1.00 0.00 C ATOM 763 CD2 LEU A 46 -2.615 2.575 1.920 1.00 0.00 C ATOM 0 H LEU A 46 -3.367 6.894 0.451 1.00 0.00 H new ATOM 0 HA LEU A 46 -2.720 4.134 -0.023 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -2.895 5.437 2.178 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -4.635 5.347 1.986 1.00 0.00 H new ATOM 0 HG LEU A 46 -3.517 3.653 3.525 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -5.029 1.826 2.861 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -5.828 3.415 2.797 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -5.294 2.626 1.293 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -2.638 1.616 2.437 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -2.775 2.416 0.854 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -1.645 3.048 2.075 1.00 0.00 H new ATOM 775 N LYS A 47 -4.678 3.224 -1.200 1.00 0.00 N ATOM 776 CA LYS A 47 -5.797 2.681 -1.958 1.00 0.00 C ATOM 777 C LYS A 47 -6.905 2.201 -1.030 1.00 0.00 C ATOM 778 O LYS A 47 -6.704 1.300 -0.213 1.00 0.00 O ATOM 779 CB LYS A 47 -5.332 1.531 -2.849 1.00 0.00 C ATOM 780 CG LYS A 47 -4.366 1.955 -3.940 1.00 0.00 C ATOM 781 CD LYS A 47 -3.960 0.775 -4.807 1.00 0.00 C ATOM 782 CE LYS A 47 -3.058 1.208 -5.950 1.00 0.00 C ATOM 783 NZ LYS A 47 -3.758 2.099 -6.911 1.00 0.00 N ATOM 0 H LYS A 47 -3.818 2.681 -1.272 1.00 0.00 H new ATOM 0 HA LYS A 47 -6.193 3.479 -2.585 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -4.855 0.773 -2.228 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -6.203 1.065 -3.309 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -4.829 2.723 -4.560 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -3.479 2.401 -3.490 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -3.445 0.034 -4.196 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -4.852 0.293 -5.208 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -2.186 1.724 -5.547 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -2.692 0.326 -6.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -3.173 2.219 -7.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -4.671 1.676 -7.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -3.920 3.027 -6.469 1.00 0.00 H new ATOM 797 N LYS A 48 -8.072 2.812 -1.164 1.00 0.00 N ATOM 798 CA LYS A 48 -9.214 2.466 -0.334 1.00 0.00 C ATOM 799 C LYS A 48 -9.831 1.158 -0.811 1.00 0.00 C ATOM 800 O LYS A 48 -9.801 0.847 -2.003 1.00 0.00 O ATOM 801 CB LYS A 48 -10.259 3.585 -0.370 1.00 0.00 C ATOM 802 CG LYS A 48 -9.683 4.966 -0.123 1.00 0.00 C ATOM 803 CD LYS A 48 -9.130 5.084 1.282 1.00 0.00 C ATOM 804 CE LYS A 48 -10.236 5.178 2.321 1.00 0.00 C ATOM 805 NZ LYS A 48 -9.687 5.334 3.693 1.00 0.00 N ATOM 0 H LYS A 48 -8.253 3.552 -1.842 1.00 0.00 H new ATOM 0 HA LYS A 48 -8.872 2.342 0.694 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -10.754 3.576 -1.341 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -11.023 3.380 0.380 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -8.893 5.168 -0.846 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -10.456 5.719 -0.277 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -8.501 4.220 1.498 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -8.493 5.966 1.349 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -10.883 6.024 2.089 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -10.855 4.282 2.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -10.470 5.395 4.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -9.090 4.514 3.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -9.117 6.202 3.742 1.00 0.00 H new ATOM 819 N LYS A 49 -10.376 0.388 0.116 1.00 0.00 N ATOM 820 CA LYS A 49 -10.968 -0.896 -0.221 1.00 0.00 C ATOM 821 C LYS A 49 -12.486 -0.831 -0.200 1.00 0.00 C ATOM 822 O LYS A 49 -13.084 -0.134 0.620 1.00 0.00 O ATOM 823 CB LYS A 49 -10.470 -1.989 0.724 1.00 0.00 C ATOM 824 CG LYS A 49 -9.023 -2.368 0.477 1.00 0.00 C ATOM 825 CD LYS A 49 -8.790 -2.799 -0.969 1.00 0.00 C ATOM 826 CE LYS A 49 -9.476 -4.119 -1.306 1.00 0.00 C ATOM 827 NZ LYS A 49 -10.943 -3.992 -1.533 1.00 0.00 N ATOM 0 H LYS A 49 -10.421 0.629 1.106 1.00 0.00 H new ATOM 0 HA LYS A 49 -10.656 -1.144 -1.236 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -10.581 -1.650 1.754 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -11.097 -2.874 0.610 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -8.380 -1.520 0.712 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -8.740 -3.179 1.148 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -9.157 -2.022 -1.639 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -7.719 -2.895 -1.148 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -9.014 -4.540 -2.199 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -9.303 -4.826 -0.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -11.286 -4.822 -2.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -11.432 -3.935 -0.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -11.136 -3.130 -2.083 1.00 0.00 H new ATOM 841 N GLU A 50 -13.084 -1.538 -1.141 1.00 0.00 N ATOM 842 CA GLU A 50 -14.528 -1.662 -1.235 1.00 0.00 C ATOM 843 C GLU A 50 -15.072 -2.460 -0.055 1.00 0.00 C ATOM 844 O GLU A 50 -14.307 -3.077 0.693 1.00 0.00 O ATOM 845 CB GLU A 50 -14.906 -2.363 -2.542 1.00 0.00 C ATOM 846 CG GLU A 50 -14.456 -1.630 -3.799 1.00 0.00 C ATOM 847 CD GLU A 50 -12.948 -1.616 -3.993 1.00 0.00 C ATOM 848 OE1 GLU A 50 -12.264 -2.538 -3.487 1.00 0.00 O ATOM 849 OE2 GLU A 50 -12.439 -0.674 -4.633 1.00 0.00 O ATOM 0 H GLU A 50 -12.579 -2.046 -1.867 1.00 0.00 H new ATOM 0 HA GLU A 50 -14.963 -0.663 -1.218 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -14.472 -3.363 -2.543 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -15.989 -2.486 -2.575 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -14.921 -2.097 -4.667 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -14.818 -0.603 -3.759 1.00 0.00 H new ATOM 856 N LEU A 51 -16.389 -2.460 0.100 1.00 0.00 N ATOM 857 CA LEU A 51 -17.032 -3.224 1.160 1.00 0.00 C ATOM 858 C LEU A 51 -16.969 -4.714 0.857 1.00 0.00 C ATOM 859 O LEU A 51 -16.823 -5.111 -0.302 1.00 0.00 O ATOM 860 CB LEU A 51 -18.490 -2.790 1.350 1.00 0.00 C ATOM 861 CG LEU A 51 -18.689 -1.503 2.150 1.00 0.00 C ATOM 862 CD1 LEU A 51 -18.311 -0.284 1.325 1.00 0.00 C ATOM 863 CD2 LEU A 51 -20.122 -1.409 2.640 1.00 0.00 C ATOM 0 H LEU A 51 -17.033 -1.939 -0.495 1.00 0.00 H new ATOM 0 HA LEU A 51 -16.492 -3.026 2.086 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -18.945 -2.662 0.368 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -19.030 -3.595 1.848 1.00 0.00 H new ATOM 0 HG LEU A 51 -18.029 -1.529 3.017 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -18.462 0.618 1.918 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -17.264 -0.354 1.031 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -18.936 -0.240 0.433 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -20.252 -0.488 3.209 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -20.799 -1.407 1.786 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -20.345 -2.264 3.278 1.00 0.00 H new ATOM 875 N PRO A 52 -17.080 -5.559 1.895 1.00 0.00 N ATOM 876 CA PRO A 52 -16.967 -7.007 1.743 1.00 0.00 C ATOM 877 C PRO A 52 -18.102 -7.588 0.906 1.00 0.00 C ATOM 878 O PRO A 52 -19.269 -7.566 1.312 1.00 0.00 O ATOM 879 CB PRO A 52 -17.020 -7.538 3.178 1.00 0.00 C ATOM 880 CG PRO A 52 -17.679 -6.460 3.968 1.00 0.00 C ATOM 881 CD PRO A 52 -17.331 -5.165 3.292 1.00 0.00 C ATOM 0 HA PRO A 52 -16.054 -7.288 1.218 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -17.585 -8.468 3.233 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -16.020 -7.749 3.557 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -18.759 -6.605 3.997 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -17.329 -6.466 5.000 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -18.145 -4.444 3.365 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -16.453 -4.701 3.742 1.00 0.00 H new ATOM 889 N THR A 53 -17.752 -8.098 -0.263 1.00 0.00 N ATOM 890 CA THR A 53 -18.730 -8.621 -1.194 1.00 0.00 C ATOM 891 C THR A 53 -19.015 -10.100 -0.940 1.00 0.00 C ATOM 892 O THR A 53 -18.358 -10.981 -1.494 1.00 0.00 O ATOM 893 CB THR A 53 -18.257 -8.413 -2.648 1.00 0.00 C ATOM 894 OG1 THR A 53 -16.885 -8.819 -2.782 1.00 0.00 O ATOM 895 CG2 THR A 53 -18.398 -6.953 -3.056 1.00 0.00 C ATOM 0 H THR A 53 -16.788 -8.160 -0.589 1.00 0.00 H new ATOM 0 HA THR A 53 -19.658 -8.070 -1.039 1.00 0.00 H new ATOM 0 HB THR A 53 -18.882 -9.022 -3.301 1.00 0.00 H new ATOM 0 HG1 THR A 53 -16.772 -9.718 -2.410 1.00 0.00 H new ATOM 0 HG21 THR A 53 -18.059 -6.828 -4.084 1.00 0.00 H new ATOM 0 HG22 THR A 53 -19.443 -6.653 -2.979 1.00 0.00 H new ATOM 0 HG23 THR A 53 -17.793 -6.331 -2.397 1.00 0.00 H new ATOM 903 N LYS A 54 -19.978 -10.366 -0.071 1.00 0.00 N ATOM 904 CA LYS A 54 -20.391 -11.732 0.208 1.00 0.00 C ATOM 905 C LYS A 54 -21.776 -12.004 -0.365 1.00 0.00 C ATOM 906 O LYS A 54 -22.790 -11.684 0.251 1.00 0.00 O ATOM 907 CB LYS A 54 -20.387 -12.025 1.714 1.00 0.00 C ATOM 908 CG LYS A 54 -19.073 -12.587 2.246 1.00 0.00 C ATOM 909 CD LYS A 54 -18.006 -11.516 2.428 1.00 0.00 C ATOM 910 CE LYS A 54 -16.725 -12.117 2.992 1.00 0.00 C ATOM 911 NZ LYS A 54 -15.743 -11.080 3.412 1.00 0.00 N ATOM 0 H LYS A 54 -20.488 -9.654 0.453 1.00 0.00 H new ATOM 0 HA LYS A 54 -19.669 -12.393 -0.272 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -20.618 -11.105 2.251 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -21.186 -12.732 1.936 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -19.254 -13.080 3.201 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -18.704 -13.349 1.559 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -17.798 -11.038 1.471 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -18.375 -10.740 3.099 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -16.970 -12.748 3.847 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -16.269 -12.761 2.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -14.890 -11.541 3.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -15.486 -10.493 2.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -16.165 -10.480 4.149 1.00 0.00 H new ATOM 925 N LYS A 55 -21.808 -12.562 -1.565 1.00 0.00 N ATOM 926 CA LYS A 55 -23.058 -12.991 -2.173 1.00 0.00 C ATOM 927 C LYS A 55 -23.110 -14.512 -2.216 1.00 0.00 C ATOM 928 O LYS A 55 -24.164 -15.120 -2.019 1.00 0.00 O ATOM 929 CB LYS A 55 -23.207 -12.426 -3.589 1.00 0.00 C ATOM 930 CG LYS A 55 -23.318 -10.910 -3.648 1.00 0.00 C ATOM 931 CD LYS A 55 -23.543 -10.432 -5.074 1.00 0.00 C ATOM 932 CE LYS A 55 -23.673 -8.918 -5.154 1.00 0.00 C ATOM 933 NZ LYS A 55 -24.808 -8.406 -4.341 1.00 0.00 N ATOM 0 H LYS A 55 -20.981 -12.729 -2.138 1.00 0.00 H new ATOM 0 HA LYS A 55 -23.882 -12.612 -1.568 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -22.350 -12.740 -4.185 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -24.093 -12.862 -4.051 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -24.141 -10.578 -3.016 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -22.409 -10.460 -3.250 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -22.713 -10.758 -5.701 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -24.445 -10.895 -5.473 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -22.746 -8.457 -4.811 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -23.811 -8.622 -6.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -24.986 -7.410 -4.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -25.660 -8.968 -4.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -24.573 -8.482 -3.331 1.00 0.00 H new ATOM 947 N GLY A 56 -21.963 -15.118 -2.480 1.00 0.00 N ATOM 948 CA GLY A 56 -21.868 -16.560 -2.497 1.00 0.00 C ATOM 949 C GLY A 56 -20.455 -17.023 -2.237 1.00 0.00 C ATOM 950 O GLY A 56 -19.701 -17.230 -3.207 1.00 0.00 O ATOM 951 OXT GLY A 56 -20.076 -17.150 -1.053 1.00 0.00 O ATOM 0 H GLY A 56 -21.090 -14.631 -2.684 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -22.534 -16.979 -1.743 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -22.204 -16.937 -3.463 1.00 0.00 H new TER 955 GLY A 56 HETATM 956 ZN ZN A 57 7.059 9.474 -6.713 1.00 0.00 ZN