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 41 SER OG : rot 180:sc= 0.697 USER MOD Set 1.2: A 43 ASN : amide:sc= 0.737 X(o=1.4,f=1.4) USER MOD Set 2.1: A 10 GLN : amide:sc= 0.0754 K(o=0.51,f=-6.4!) USER MOD Set 2.2: A 19 LYS NZ :NH3+ 136:sc= 0.437 (180deg=-1.2!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 165:sc= 1.08 (180deg=0.811) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0.0633 USER MOD Single : A 8 LYS NZ :NH3+ -173:sc= 1.24 (180deg=1.13) USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 20 LYS NZ :NH3+ 172:sc= 0.908 (180deg=0.757) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= -2.69! C(o=-2.7!,f=-10!) 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= -0.249 F(o=-1.1,f=-0.25) USER MOD Single : A 42 THR OG1 : rot 7:sc= 1.09 USER MOD Single : A 47 LYS NZ :NH3+ -163:sc= -0.0692 (180deg=-0.329) USER MOD Single : A 48 LYS NZ :NH3+ 167:sc= -0.0379 (180deg=-0.211) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 46:sc= 0.281 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 16.044 -20.855 7.763 1.00 0.00 N ATOM 2 CA MET A 1 14.641 -21.069 7.350 1.00 0.00 C ATOM 3 C MET A 1 13.837 -19.793 7.558 1.00 0.00 C ATOM 4 O MET A 1 14.164 -18.990 8.433 1.00 0.00 O ATOM 5 CB MET A 1 14.014 -22.218 8.150 1.00 0.00 C ATOM 6 CG MET A 1 14.601 -23.592 7.845 1.00 0.00 C ATOM 7 SD MET A 1 16.358 -23.721 8.232 1.00 0.00 S ATOM 8 CE MET A 1 16.663 -25.439 7.829 1.00 0.00 C ATOM 0 H1 MET A 1 16.521 -21.774 7.862 1.00 0.00 H new ATOM 0 H2 MET A 1 16.535 -20.286 7.044 1.00 0.00 H new ATOM 0 H3 MET A 1 16.065 -20.355 8.674 1.00 0.00 H new ATOM 0 HA MET A 1 14.627 -21.333 6.293 1.00 0.00 H new ATOM 0 HB2 MET A 1 14.135 -22.013 9.214 1.00 0.00 H new ATOM 0 HB3 MET A 1 12.943 -22.242 7.950 1.00 0.00 H new ATOM 0 HG2 MET A 1 14.055 -24.346 8.412 1.00 0.00 H new ATOM 0 HG3 MET A 1 14.451 -23.817 6.789 1.00 0.00 H new ATOM 0 HE1 MET A 1 17.710 -25.676 8.015 1.00 0.00 H new ATOM 0 HE2 MET A 1 16.031 -26.076 8.448 1.00 0.00 H new ATOM 0 HE3 MET A 1 16.433 -25.612 6.778 1.00 0.00 H new ATOM 20 N PRO A 2 12.789 -19.578 6.745 1.00 0.00 N ATOM 21 CA PRO A 2 11.913 -18.417 6.887 1.00 0.00 C ATOM 22 C PRO A 2 11.044 -18.524 8.135 1.00 0.00 C ATOM 23 O PRO A 2 10.115 -19.331 8.195 1.00 0.00 O ATOM 24 CB PRO A 2 11.055 -18.452 5.619 1.00 0.00 C ATOM 25 CG PRO A 2 11.059 -19.879 5.189 1.00 0.00 C ATOM 26 CD PRO A 2 12.383 -20.448 5.624 1.00 0.00 C ATOM 0 HA PRO A 2 12.470 -17.486 6.999 1.00 0.00 H new ATOM 0 HB2 PRO A 2 10.042 -18.103 5.818 1.00 0.00 H new ATOM 0 HB3 PRO A 2 11.468 -17.805 4.845 1.00 0.00 H new ATOM 0 HG2 PRO A 2 10.233 -20.425 5.645 1.00 0.00 H new ATOM 0 HG3 PRO A 2 10.937 -19.960 4.109 1.00 0.00 H new ATOM 0 HD2 PRO A 2 12.288 -21.487 5.938 1.00 0.00 H new ATOM 0 HD3 PRO A 2 13.113 -20.425 4.815 1.00 0.00 H new ATOM 34 N LEU A 3 11.366 -17.728 9.140 1.00 0.00 N ATOM 35 CA LEU A 3 10.660 -17.777 10.408 1.00 0.00 C ATOM 36 C LEU A 3 9.546 -16.737 10.443 1.00 0.00 C ATOM 37 O LEU A 3 9.735 -15.593 10.023 1.00 0.00 O ATOM 38 CB LEU A 3 11.632 -17.546 11.571 1.00 0.00 C ATOM 39 CG LEU A 3 11.022 -17.682 12.969 1.00 0.00 C ATOM 40 CD1 LEU A 3 10.507 -19.097 13.196 1.00 0.00 C ATOM 41 CD2 LEU A 3 12.044 -17.311 14.032 1.00 0.00 C ATOM 0 H LEU A 3 12.115 -17.037 9.102 1.00 0.00 H new ATOM 0 HA LEU A 3 10.215 -18.767 10.513 1.00 0.00 H new ATOM 0 HB2 LEU A 3 12.455 -18.254 11.481 1.00 0.00 H new ATOM 0 HB3 LEU A 3 12.058 -16.548 11.474 1.00 0.00 H new ATOM 0 HG LEU A 3 10.179 -16.995 13.044 1.00 0.00 H new ATOM 0 HD11 LEU A 3 10.078 -19.172 14.195 1.00 0.00 H new ATOM 0 HD12 LEU A 3 9.743 -19.329 12.454 1.00 0.00 H new ATOM 0 HD13 LEU A 3 11.331 -19.804 13.101 1.00 0.00 H new ATOM 0 HD21 LEU A 3 11.595 -17.413 15.020 1.00 0.00 H new ATOM 0 HD22 LEU A 3 12.906 -17.974 13.955 1.00 0.00 H new ATOM 0 HD23 LEU A 3 12.365 -16.280 13.884 1.00 0.00 H new ATOM 53 N THR A 4 8.389 -17.146 10.934 1.00 0.00 N ATOM 54 CA THR A 4 7.255 -16.254 11.067 1.00 0.00 C ATOM 55 C THR A 4 7.307 -15.495 12.390 1.00 0.00 C ATOM 56 O THR A 4 6.941 -16.024 13.443 1.00 0.00 O ATOM 57 CB THR A 4 5.935 -17.037 10.961 1.00 0.00 C ATOM 58 OG1 THR A 4 6.077 -18.311 11.606 1.00 0.00 O ATOM 59 CG2 THR A 4 5.538 -17.236 9.505 1.00 0.00 C ATOM 0 H THR A 4 8.212 -18.100 11.249 1.00 0.00 H new ATOM 0 HA THR A 4 7.303 -15.531 10.253 1.00 0.00 H new ATOM 0 HB THR A 4 5.151 -16.463 11.455 1.00 0.00 H new ATOM 0 HG1 THR A 4 5.235 -18.807 11.539 1.00 0.00 H new ATOM 0 HG21 THR A 4 4.602 -17.792 9.456 1.00 0.00 H new ATOM 0 HG22 THR A 4 5.409 -16.265 9.027 1.00 0.00 H new ATOM 0 HG23 THR A 4 6.319 -17.794 8.988 1.00 0.00 H new ATOM 67 N ASP A 5 7.801 -14.265 12.333 1.00 0.00 N ATOM 68 CA ASP A 5 7.853 -13.403 13.509 1.00 0.00 C ATOM 69 C ASP A 5 6.470 -12.820 13.780 1.00 0.00 C ATOM 70 O ASP A 5 5.591 -12.888 12.919 1.00 0.00 O ATOM 71 CB ASP A 5 8.871 -12.271 13.308 1.00 0.00 C ATOM 72 CG ASP A 5 10.264 -12.776 13.016 1.00 0.00 C ATOM 73 OD1 ASP A 5 10.913 -13.301 13.948 1.00 0.00 O ATOM 74 OD2 ASP A 5 10.719 -12.644 11.861 1.00 0.00 O ATOM 0 H ASP A 5 8.172 -13.840 11.483 1.00 0.00 H new ATOM 0 HA ASP A 5 8.168 -13.999 14.365 1.00 0.00 H new ATOM 0 HB2 ASP A 5 8.541 -11.635 12.487 1.00 0.00 H new ATOM 0 HB3 ASP A 5 8.896 -11.649 14.203 1.00 0.00 H new ATOM 79 N PRO A 6 6.253 -12.227 14.965 1.00 0.00 N ATOM 80 CA PRO A 6 4.952 -11.674 15.320 1.00 0.00 C ATOM 81 C PRO A 6 4.659 -10.399 14.541 1.00 0.00 C ATOM 82 O PRO A 6 3.501 -10.051 14.305 1.00 0.00 O ATOM 83 CB PRO A 6 5.052 -11.395 16.820 1.00 0.00 C ATOM 84 CG PRO A 6 6.511 -11.363 17.148 1.00 0.00 C ATOM 85 CD PRO A 6 7.256 -12.034 16.023 1.00 0.00 C ATOM 0 HA PRO A 6 4.137 -12.356 15.079 1.00 0.00 H new ATOM 0 HB2 PRO A 6 4.577 -10.447 17.071 1.00 0.00 H new ATOM 0 HB3 PRO A 6 4.542 -12.169 17.394 1.00 0.00 H new ATOM 0 HG2 PRO A 6 6.852 -10.335 17.271 1.00 0.00 H new ATOM 0 HG3 PRO A 6 6.701 -11.876 18.091 1.00 0.00 H new ATOM 0 HD2 PRO A 6 8.084 -11.417 15.674 1.00 0.00 H new ATOM 0 HD3 PRO A 6 7.681 -12.986 16.343 1.00 0.00 H new ATOM 93 N ALA A 7 5.718 -9.721 14.125 1.00 0.00 N ATOM 94 CA ALA A 7 5.594 -8.554 13.275 1.00 0.00 C ATOM 95 C ALA A 7 5.715 -8.968 11.816 1.00 0.00 C ATOM 96 O ALA A 7 6.758 -9.470 11.388 1.00 0.00 O ATOM 97 CB ALA A 7 6.655 -7.521 13.628 1.00 0.00 C ATOM 0 H ALA A 7 6.679 -9.964 14.366 1.00 0.00 H new ATOM 0 HA ALA A 7 4.615 -8.101 13.434 1.00 0.00 H new ATOM 0 HB1 ALA A 7 6.546 -6.652 12.979 1.00 0.00 H new ATOM 0 HB2 ALA A 7 6.534 -7.216 14.667 1.00 0.00 H new ATOM 0 HB3 ALA A 7 7.645 -7.955 13.490 1.00 0.00 H new ATOM 103 N LYS A 8 4.643 -8.781 11.063 1.00 0.00 N ATOM 104 CA LYS A 8 4.616 -9.181 9.663 1.00 0.00 C ATOM 105 C LYS A 8 5.177 -8.072 8.786 1.00 0.00 C ATOM 106 O LYS A 8 4.964 -6.888 9.058 1.00 0.00 O ATOM 107 CB LYS A 8 3.190 -9.534 9.214 1.00 0.00 C ATOM 108 CG LYS A 8 2.620 -10.793 9.861 1.00 0.00 C ATOM 109 CD LYS A 8 2.220 -10.560 11.310 1.00 0.00 C ATOM 110 CE LYS A 8 1.786 -11.850 11.983 1.00 0.00 C ATOM 111 NZ LYS A 8 1.380 -11.630 13.396 1.00 0.00 N ATOM 0 H LYS A 8 3.779 -8.354 11.397 1.00 0.00 H new ATOM 0 HA LYS A 8 5.237 -10.070 9.557 1.00 0.00 H new ATOM 0 HB2 LYS A 8 2.533 -8.694 9.440 1.00 0.00 H new ATOM 0 HB3 LYS A 8 3.184 -9.662 8.132 1.00 0.00 H new ATOM 0 HG2 LYS A 8 1.751 -11.130 9.295 1.00 0.00 H new ATOM 0 HG3 LYS A 8 3.360 -11.592 9.814 1.00 0.00 H new ATOM 0 HD2 LYS A 8 3.060 -10.129 11.855 1.00 0.00 H new ATOM 0 HD3 LYS A 8 1.407 -9.835 11.352 1.00 0.00 H new ATOM 0 HE2 LYS A 8 0.954 -12.286 11.430 1.00 0.00 H new ATOM 0 HE3 LYS A 8 2.603 -12.570 11.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 1.205 -12.547 13.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 2.139 -11.130 13.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 0.512 -11.058 13.423 1.00 0.00 H new ATOM 125 N LEU A 9 5.902 -8.457 7.746 1.00 0.00 N ATOM 126 CA LEU A 9 6.491 -7.491 6.833 1.00 0.00 C ATOM 127 C LEU A 9 5.466 -7.048 5.796 1.00 0.00 C ATOM 128 O LEU A 9 5.176 -7.778 4.844 1.00 0.00 O ATOM 129 CB LEU A 9 7.722 -8.082 6.143 1.00 0.00 C ATOM 130 CG LEU A 9 8.451 -7.136 5.188 1.00 0.00 C ATOM 131 CD1 LEU A 9 9.006 -5.944 5.945 1.00 0.00 C ATOM 132 CD2 LEU A 9 9.562 -7.873 4.458 1.00 0.00 C ATOM 0 H LEU A 9 6.096 -9.431 7.514 1.00 0.00 H new ATOM 0 HA LEU A 9 6.804 -6.621 7.410 1.00 0.00 H new ATOM 0 HB2 LEU A 9 8.424 -8.412 6.909 1.00 0.00 H new ATOM 0 HB3 LEU A 9 7.417 -8.969 5.588 1.00 0.00 H new ATOM 0 HG LEU A 9 7.738 -6.771 4.449 1.00 0.00 H new ATOM 0 HD11 LEU A 9 9.522 -5.280 5.251 1.00 0.00 H new ATOM 0 HD12 LEU A 9 8.189 -5.404 6.424 1.00 0.00 H new ATOM 0 HD13 LEU A 9 9.707 -6.290 6.705 1.00 0.00 H new ATOM 0 HD21 LEU A 9 10.071 -7.186 3.782 1.00 0.00 H new ATOM 0 HD22 LEU A 9 10.276 -8.265 5.183 1.00 0.00 H new ATOM 0 HD23 LEU A 9 9.137 -8.697 3.885 1.00 0.00 H new ATOM 144 N GLN A 10 4.914 -5.856 6.010 1.00 0.00 N ATOM 145 CA GLN A 10 3.919 -5.270 5.114 1.00 0.00 C ATOM 146 C GLN A 10 2.611 -6.051 5.151 1.00 0.00 C ATOM 147 O GLN A 10 2.416 -6.936 5.983 1.00 0.00 O ATOM 148 CB GLN A 10 4.450 -5.181 3.682 1.00 0.00 C ATOM 149 CG GLN A 10 5.578 -4.182 3.526 1.00 0.00 C ATOM 150 CD GLN A 10 6.234 -4.266 2.166 1.00 0.00 C ATOM 151 OE1 GLN A 10 5.844 -3.562 1.238 1.00 0.00 O ATOM 152 NE2 GLN A 10 7.216 -5.141 2.033 1.00 0.00 N ATOM 0 H GLN A 10 5.144 -5.268 6.811 1.00 0.00 H new ATOM 0 HA GLN A 10 3.719 -4.259 5.467 1.00 0.00 H new ATOM 0 HB2 GLN A 10 4.799 -6.165 3.369 1.00 0.00 H new ATOM 0 HB3 GLN A 10 3.633 -4.905 3.015 1.00 0.00 H new ATOM 0 HG2 GLN A 10 5.192 -3.174 3.679 1.00 0.00 H new ATOM 0 HG3 GLN A 10 6.326 -4.358 4.299 1.00 0.00 H new ATOM 0 HE21 GLN A 10 7.508 -5.705 2.831 1.00 0.00 H new ATOM 0 HE22 GLN A 10 7.682 -5.252 1.132 1.00 0.00 H new ATOM 161 N ILE A 11 1.719 -5.715 4.234 1.00 0.00 N ATOM 162 CA ILE A 11 0.363 -6.226 4.268 1.00 0.00 C ATOM 163 C ILE A 11 0.116 -7.279 3.192 1.00 0.00 C ATOM 164 O ILE A 11 -1.023 -7.586 2.852 1.00 0.00 O ATOM 165 CB ILE A 11 -0.641 -5.056 4.138 1.00 0.00 C ATOM 166 CG1 ILE A 11 -0.322 -4.160 2.934 1.00 0.00 C ATOM 167 CG2 ILE A 11 -0.628 -4.236 5.414 1.00 0.00 C ATOM 168 CD1 ILE A 11 -0.691 -4.772 1.605 1.00 0.00 C ATOM 0 H ILE A 11 1.913 -5.087 3.454 1.00 0.00 H new ATOM 0 HA ILE A 11 0.216 -6.720 5.228 1.00 0.00 H new ATOM 0 HB ILE A 11 -1.633 -5.478 3.977 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -0.851 -3.214 3.047 1.00 0.00 H new ATOM 0 HG13 ILE A 11 0.744 -3.932 2.935 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -1.335 -3.411 5.324 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -0.913 -4.868 6.255 1.00 0.00 H new ATOM 0 HG23 ILE A 11 0.373 -3.839 5.581 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -0.436 -4.080 0.802 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -0.142 -5.704 1.469 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -1.762 -4.975 1.582 1.00 0.00 H new ATOM 180 N VAL A 12 1.199 -7.829 2.669 1.00 0.00 N ATOM 181 CA VAL A 12 1.131 -8.836 1.617 1.00 0.00 C ATOM 182 C VAL A 12 0.240 -10.028 1.996 1.00 0.00 C ATOM 183 O VAL A 12 0.186 -10.444 3.160 1.00 0.00 O ATOM 184 CB VAL A 12 2.541 -9.346 1.251 1.00 0.00 C ATOM 185 CG1 VAL A 12 3.347 -8.247 0.576 1.00 0.00 C ATOM 186 CG2 VAL A 12 3.268 -9.850 2.489 1.00 0.00 C ATOM 0 H VAL A 12 2.148 -7.593 2.959 1.00 0.00 H new ATOM 0 HA VAL A 12 0.682 -8.345 0.754 1.00 0.00 H new ATOM 0 HB VAL A 12 2.433 -10.176 0.553 1.00 0.00 H new ATOM 0 HG11 VAL A 12 4.338 -8.625 0.325 1.00 0.00 H new ATOM 0 HG12 VAL A 12 2.838 -7.930 -0.334 1.00 0.00 H new ATOM 0 HG13 VAL A 12 3.443 -7.398 1.253 1.00 0.00 H new ATOM 0 HG21 VAL A 12 4.260 -10.205 2.209 1.00 0.00 H new ATOM 0 HG22 VAL A 12 3.363 -9.039 3.211 1.00 0.00 H new ATOM 0 HG23 VAL A 12 2.702 -10.668 2.935 1.00 0.00 H new ATOM 196 N GLN A 13 -0.457 -10.549 0.987 1.00 0.00 N ATOM 197 CA GLN A 13 -1.324 -11.723 1.110 1.00 0.00 C ATOM 198 C GLN A 13 -2.603 -11.440 1.901 1.00 0.00 C ATOM 199 O GLN A 13 -3.623 -11.066 1.317 1.00 0.00 O ATOM 200 CB GLN A 13 -0.573 -12.923 1.700 1.00 0.00 C ATOM 201 CG GLN A 13 0.500 -13.473 0.776 1.00 0.00 C ATOM 202 CD GLN A 13 1.110 -14.761 1.283 1.00 0.00 C ATOM 203 OE1 GLN A 13 0.613 -15.851 0.993 1.00 0.00 O ATOM 204 NE2 GLN A 13 2.187 -14.652 2.043 1.00 0.00 N ATOM 0 H GLN A 13 -0.435 -10.161 0.044 1.00 0.00 H new ATOM 0 HA GLN A 13 -1.629 -11.976 0.095 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -0.114 -12.627 2.643 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -1.288 -13.714 1.927 1.00 0.00 H new ATOM 0 HG2 GLN A 13 0.070 -13.644 -0.211 1.00 0.00 H new ATOM 0 HG3 GLN A 13 1.286 -12.727 0.656 1.00 0.00 H new ATOM 0 HE21 GLN A 13 2.567 -13.731 2.260 1.00 0.00 H new ATOM 0 HE22 GLN A 13 2.637 -15.489 2.412 1.00 0.00 H new ATOM 213 N GLN A 14 -2.555 -11.599 3.217 1.00 0.00 N ATOM 214 CA GLN A 14 -3.769 -11.532 4.021 1.00 0.00 C ATOM 215 C GLN A 14 -3.846 -10.240 4.828 1.00 0.00 C ATOM 216 O GLN A 14 -3.471 -10.201 6.002 1.00 0.00 O ATOM 217 CB GLN A 14 -3.865 -12.735 4.960 1.00 0.00 C ATOM 218 CG GLN A 14 -5.170 -12.789 5.741 1.00 0.00 C ATOM 219 CD GLN A 14 -5.180 -13.874 6.795 1.00 0.00 C ATOM 220 OE1 GLN A 14 -4.538 -14.913 6.644 1.00 0.00 O ATOM 221 NE2 GLN A 14 -5.908 -13.639 7.875 1.00 0.00 N ATOM 0 H GLN A 14 -1.700 -11.773 3.746 1.00 0.00 H new ATOM 0 HA GLN A 14 -4.611 -11.549 3.329 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -3.761 -13.650 4.378 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -3.031 -12.707 5.661 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -5.342 -11.824 6.218 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -5.996 -12.954 5.049 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -6.425 -12.764 7.961 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -5.952 -14.333 8.622 1.00 0.00 H new ATOM 230 N ARG A 15 -4.319 -9.188 4.182 1.00 0.00 N ATOM 231 CA ARG A 15 -4.562 -7.911 4.837 1.00 0.00 C ATOM 232 C ARG A 15 -5.680 -7.169 4.131 1.00 0.00 C ATOM 233 O ARG A 15 -5.869 -7.313 2.922 1.00 0.00 O ATOM 234 CB ARG A 15 -3.305 -7.048 4.856 1.00 0.00 C ATOM 235 CG ARG A 15 -2.306 -7.421 5.942 1.00 0.00 C ATOM 236 CD ARG A 15 -2.785 -7.006 7.321 1.00 0.00 C ATOM 237 NE ARG A 15 -3.844 -7.871 7.834 1.00 0.00 N ATOM 238 CZ ARG A 15 -4.659 -7.539 8.833 1.00 0.00 C ATOM 239 NH1 ARG A 15 -4.525 -6.366 9.445 1.00 0.00 N ATOM 240 NH2 ARG A 15 -5.602 -8.385 9.225 1.00 0.00 N ATOM 0 H ARG A 15 -4.546 -9.194 3.188 1.00 0.00 H new ATOM 0 HA ARG A 15 -4.852 -8.114 5.868 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -2.814 -7.121 3.886 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -3.596 -6.006 4.988 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -2.138 -8.498 5.925 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -1.348 -6.945 5.732 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -1.943 -7.020 8.013 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -3.148 -5.979 7.281 1.00 0.00 H new ATOM 0 HE ARG A 15 -3.967 -8.786 7.400 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -3.796 -5.717 9.149 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -5.151 -6.115 10.210 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -5.702 -9.288 8.761 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -6.227 -8.133 9.990 1.00 0.00 H new ATOM 254 N VAL A 16 -6.429 -6.394 4.889 1.00 0.00 N ATOM 255 CA VAL A 16 -7.463 -5.554 4.325 1.00 0.00 C ATOM 256 C VAL A 16 -6.837 -4.240 3.880 1.00 0.00 C ATOM 257 O VAL A 16 -7.112 -3.738 2.794 1.00 0.00 O ATOM 258 CB VAL A 16 -8.587 -5.277 5.349 1.00 0.00 C ATOM 259 CG1 VAL A 16 -9.706 -4.461 4.725 1.00 0.00 C ATOM 260 CG2 VAL A 16 -9.130 -6.581 5.915 1.00 0.00 C ATOM 0 H VAL A 16 -6.339 -6.329 5.903 1.00 0.00 H new ATOM 0 HA VAL A 16 -7.909 -6.071 3.475 1.00 0.00 H new ATOM 0 HB VAL A 16 -8.160 -4.696 6.166 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -10.483 -4.281 5.468 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -9.310 -3.507 4.376 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -10.129 -5.008 3.883 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -9.920 -6.365 6.634 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -9.533 -7.189 5.105 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -8.326 -7.125 6.412 1.00 0.00 H new ATOM 270 N PHE A 17 -5.959 -3.726 4.724 1.00 0.00 N ATOM 271 CA PHE A 17 -5.257 -2.477 4.464 1.00 0.00 C ATOM 272 C PHE A 17 -4.319 -2.634 3.262 1.00 0.00 C ATOM 273 O PHE A 17 -3.599 -3.624 3.155 1.00 0.00 O ATOM 274 CB PHE A 17 -4.481 -2.088 5.722 1.00 0.00 C ATOM 275 CG PHE A 17 -4.076 -0.645 5.792 1.00 0.00 C ATOM 276 CD1 PHE A 17 -5.034 0.350 5.910 1.00 0.00 C ATOM 277 CD2 PHE A 17 -2.740 -0.287 5.775 1.00 0.00 C ATOM 278 CE1 PHE A 17 -4.665 1.677 6.002 1.00 0.00 C ATOM 279 CE2 PHE A 17 -2.365 1.039 5.864 1.00 0.00 C ATOM 280 CZ PHE A 17 -3.330 2.022 5.981 1.00 0.00 C ATOM 0 H PHE A 17 -5.711 -4.163 5.612 1.00 0.00 H new ATOM 0 HA PHE A 17 -5.969 -1.689 4.221 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -5.091 -2.322 6.595 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -3.585 -2.705 5.784 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -6.081 0.084 5.930 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -1.983 -1.052 5.691 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -5.421 2.444 6.090 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -1.319 1.308 5.842 1.00 0.00 H new ATOM 0 HZ PHE A 17 -3.039 3.059 6.056 1.00 0.00 H new ATOM 290 N LEU A 18 -4.347 -1.656 2.364 1.00 0.00 N ATOM 291 CA LEU A 18 -3.605 -1.734 1.107 1.00 0.00 C ATOM 292 C LEU A 18 -2.405 -0.792 1.111 1.00 0.00 C ATOM 293 O LEU A 18 -2.130 -0.127 2.104 1.00 0.00 O ATOM 294 CB LEU A 18 -4.520 -1.406 -0.074 1.00 0.00 C ATOM 295 CG LEU A 18 -5.719 -2.341 -0.248 1.00 0.00 C ATOM 296 CD1 LEU A 18 -6.594 -1.877 -1.400 1.00 0.00 C ATOM 297 CD2 LEU A 18 -5.251 -3.770 -0.480 1.00 0.00 C ATOM 0 H LEU A 18 -4.879 -0.794 2.483 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.237 -2.755 1.003 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -4.888 -0.387 0.044 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -3.928 -1.427 -0.989 1.00 0.00 H new ATOM 0 HG LEU A 18 -6.310 -2.315 0.667 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -7.441 -2.554 -1.509 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -6.958 -0.870 -1.198 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -6.011 -1.874 -2.321 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -6.117 -4.421 -0.602 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -4.637 -3.810 -1.380 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -4.663 -4.104 0.375 1.00 0.00 H new ATOM 309 N LYS A 19 -1.683 -0.764 -0.004 1.00 0.00 N ATOM 310 CA LYS A 19 -0.501 0.083 -0.139 1.00 0.00 C ATOM 311 C LYS A 19 -0.860 1.456 -0.702 1.00 0.00 C ATOM 312 O LYS A 19 -1.970 1.674 -1.193 1.00 0.00 O ATOM 313 CB LYS A 19 0.518 -0.580 -1.063 1.00 0.00 C ATOM 314 CG LYS A 19 0.989 -1.944 -0.594 1.00 0.00 C ATOM 315 CD LYS A 19 1.872 -1.845 0.641 1.00 0.00 C ATOM 316 CE LYS A 19 2.798 -3.048 0.754 1.00 0.00 C ATOM 317 NZ LYS A 19 3.611 -3.253 -0.480 1.00 0.00 N ATOM 0 H LYS A 19 -1.896 -1.321 -0.832 1.00 0.00 H new ATOM 0 HA LYS A 19 -0.075 0.213 0.856 1.00 0.00 H new ATOM 0 HB2 LYS A 19 0.079 -0.681 -2.056 1.00 0.00 H new ATOM 0 HB3 LYS A 19 1.383 0.076 -1.162 1.00 0.00 H new ATOM 0 HG2 LYS A 19 0.125 -2.570 -0.373 1.00 0.00 H new ATOM 0 HG3 LYS A 19 1.541 -2.433 -1.397 1.00 0.00 H new ATOM 0 HD2 LYS A 19 2.463 -0.931 0.596 1.00 0.00 H new ATOM 0 HD3 LYS A 19 1.249 -1.778 1.533 1.00 0.00 H new ATOM 0 HE2 LYS A 19 3.463 -2.913 1.607 1.00 0.00 H new ATOM 0 HE3 LYS A 19 2.206 -3.942 0.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 4.595 -3.463 -0.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 3.221 -4.048 -1.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 3.585 -2.390 -1.060 1.00 0.00 H new ATOM 331 N LYS A 20 0.099 2.371 -0.635 1.00 0.00 N ATOM 332 CA LYS A 20 -0.069 3.715 -1.172 1.00 0.00 C ATOM 333 C LYS A 20 0.723 3.872 -2.453 1.00 0.00 C ATOM 334 O LYS A 20 1.909 3.556 -2.500 1.00 0.00 O ATOM 335 CB LYS A 20 0.412 4.753 -0.166 1.00 0.00 C ATOM 336 CG LYS A 20 -0.037 4.470 1.253 1.00 0.00 C ATOM 337 CD LYS A 20 0.607 5.418 2.241 1.00 0.00 C ATOM 338 CE LYS A 20 2.122 5.323 2.201 1.00 0.00 C ATOM 339 NZ LYS A 20 2.745 6.335 3.092 1.00 0.00 N ATOM 0 H LYS A 20 1.011 2.204 -0.209 1.00 0.00 H new ATOM 0 HA LYS A 20 -1.129 3.868 -1.375 1.00 0.00 H new ATOM 0 HB2 LYS A 20 1.501 4.796 -0.193 1.00 0.00 H new ATOM 0 HB3 LYS A 20 0.046 5.735 -0.466 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -1.122 4.559 1.317 1.00 0.00 H new ATOM 0 HG3 LYS A 20 0.215 3.443 1.517 1.00 0.00 H new ATOM 0 HD2 LYS A 20 0.300 6.440 2.019 1.00 0.00 H new ATOM 0 HD3 LYS A 20 0.254 5.191 3.247 1.00 0.00 H new ATOM 0 HE2 LYS A 20 2.435 4.324 2.505 1.00 0.00 H new ATOM 0 HE3 LYS A 20 2.472 5.469 1.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 3.769 6.162 3.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 2.576 7.287 2.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 2.327 6.266 4.042 1.00 0.00 H new ATOM 353 N VAL A 21 0.077 4.384 -3.477 1.00 0.00 N ATOM 354 CA VAL A 21 0.719 4.574 -4.757 1.00 0.00 C ATOM 355 C VAL A 21 1.001 6.055 -4.988 1.00 0.00 C ATOM 356 O VAL A 21 0.127 6.900 -4.813 1.00 0.00 O ATOM 357 CB VAL A 21 -0.137 3.989 -5.910 1.00 0.00 C ATOM 358 CG1 VAL A 21 -1.553 4.545 -5.885 1.00 0.00 C ATOM 359 CG2 VAL A 21 0.517 4.250 -7.256 1.00 0.00 C ATOM 0 H VAL A 21 -0.899 4.678 -3.446 1.00 0.00 H new ATOM 0 HA VAL A 21 1.666 4.035 -4.747 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.198 2.911 -5.761 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -2.127 4.115 -6.706 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -2.027 4.290 -4.937 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -1.520 5.629 -5.994 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -0.102 3.830 -8.049 1.00 0.00 H new ATOM 0 HG22 VAL A 21 0.622 5.324 -7.408 1.00 0.00 H new ATOM 0 HG23 VAL A 21 1.502 3.783 -7.279 1.00 0.00 H new ATOM 369 N CYS A 22 2.246 6.362 -5.316 1.00 0.00 N ATOM 370 CA CYS A 22 2.652 7.712 -5.669 1.00 0.00 C ATOM 371 C CYS A 22 1.836 8.233 -6.842 1.00 0.00 C ATOM 372 O CYS A 22 1.603 7.513 -7.810 1.00 0.00 O ATOM 373 CB CYS A 22 4.135 7.697 -6.029 1.00 0.00 C ATOM 374 SG CYS A 22 4.790 9.224 -6.778 1.00 0.00 S ATOM 0 H CYS A 22 3.004 5.680 -5.345 1.00 0.00 H new ATOM 0 HA CYS A 22 2.479 8.374 -4.821 1.00 0.00 H new ATOM 0 HB2 CYS A 22 4.706 7.485 -5.125 1.00 0.00 H new ATOM 0 HB3 CYS A 22 4.313 6.872 -6.719 1.00 0.00 H new ATOM 379 N ARG A 23 1.403 9.482 -6.756 1.00 0.00 N ATOM 380 CA ARG A 23 0.630 10.088 -7.835 1.00 0.00 C ATOM 381 C ARG A 23 1.555 10.653 -8.913 1.00 0.00 C ATOM 382 O ARG A 23 1.099 11.167 -9.931 1.00 0.00 O ATOM 383 CB ARG A 23 -0.287 11.194 -7.295 1.00 0.00 C ATOM 384 CG ARG A 23 0.444 12.449 -6.840 1.00 0.00 C ATOM 385 CD ARG A 23 -0.535 13.549 -6.456 1.00 0.00 C ATOM 386 NE ARG A 23 0.099 14.868 -6.436 1.00 0.00 N ATOM 387 CZ ARG A 23 -0.454 15.953 -5.897 1.00 0.00 C ATOM 388 NH1 ARG A 23 -1.630 15.873 -5.288 1.00 0.00 N ATOM 389 NH2 ARG A 23 0.172 17.119 -5.958 1.00 0.00 N ATOM 0 H ARG A 23 1.571 10.094 -5.957 1.00 0.00 H new ATOM 0 HA ARG A 23 0.010 9.310 -8.280 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -1.003 11.466 -8.070 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -0.860 10.797 -6.457 1.00 0.00 H new ATOM 0 HG2 ARG A 23 1.082 12.213 -5.988 1.00 0.00 H new ATOM 0 HG3 ARG A 23 1.097 12.802 -7.638 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -1.366 13.557 -7.162 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -0.954 13.334 -5.473 1.00 0.00 H new ATOM 0 HE ARG A 23 1.021 14.962 -6.861 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -2.115 14.977 -5.231 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -2.049 16.707 -4.877 1.00 0.00 H new ATOM 0 HH21 ARG A 23 1.080 17.187 -6.419 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -0.254 17.949 -5.544 1.00 0.00 H new ATOM 403 N LYS A 24 2.857 10.544 -8.687 1.00 0.00 N ATOM 404 CA LYS A 24 3.835 11.134 -9.588 1.00 0.00 C ATOM 405 C LYS A 24 4.517 10.066 -10.443 1.00 0.00 C ATOM 406 O LYS A 24 4.609 10.211 -11.660 1.00 0.00 O ATOM 407 CB LYS A 24 4.848 11.936 -8.789 1.00 0.00 C ATOM 408 CG LYS A 24 4.160 12.887 -7.838 1.00 0.00 C ATOM 409 CD LYS A 24 5.087 13.961 -7.334 1.00 0.00 C ATOM 410 CE LYS A 24 5.396 14.999 -8.401 1.00 0.00 C ATOM 411 NZ LYS A 24 6.157 16.150 -7.846 1.00 0.00 N ATOM 0 H LYS A 24 3.259 10.053 -7.888 1.00 0.00 H new ATOM 0 HA LYS A 24 3.320 11.808 -10.273 1.00 0.00 H new ATOM 0 HB2 LYS A 24 5.492 11.259 -8.228 1.00 0.00 H new ATOM 0 HB3 LYS A 24 5.490 12.497 -9.468 1.00 0.00 H new ATOM 0 HG2 LYS A 24 3.311 13.350 -8.341 1.00 0.00 H new ATOM 0 HG3 LYS A 24 3.762 12.327 -6.992 1.00 0.00 H new ATOM 0 HD2 LYS A 24 4.637 14.452 -6.471 1.00 0.00 H new ATOM 0 HD3 LYS A 24 6.017 13.506 -6.992 1.00 0.00 H new ATOM 0 HE2 LYS A 24 5.971 14.536 -9.203 1.00 0.00 H new ATOM 0 HE3 LYS A 24 4.465 15.357 -8.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 6.349 16.837 -8.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 5.598 16.607 -7.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 7.057 15.812 -7.449 1.00 0.00 H new ATOM 425 N CYS A 25 4.983 8.994 -9.805 1.00 0.00 N ATOM 426 CA CYS A 25 5.568 7.867 -10.531 1.00 0.00 C ATOM 427 C CYS A 25 4.517 6.807 -10.782 1.00 0.00 C ATOM 428 O CYS A 25 4.487 6.166 -11.832 1.00 0.00 O ATOM 429 CB CYS A 25 6.683 7.177 -9.732 1.00 0.00 C ATOM 430 SG CYS A 25 7.848 8.267 -8.871 1.00 0.00 S ATOM 0 H CYS A 25 4.967 8.882 -8.791 1.00 0.00 H new ATOM 0 HA CYS A 25 5.969 8.280 -11.457 1.00 0.00 H new ATOM 0 HB2 CYS A 25 6.220 6.521 -8.995 1.00 0.00 H new ATOM 0 HB3 CYS A 25 7.249 6.542 -10.413 1.00 0.00 H new ATOM 435 N GLY A 26 3.650 6.641 -9.799 1.00 0.00 N ATOM 436 CA GLY A 26 2.877 5.429 -9.694 1.00 0.00 C ATOM 437 C GLY A 26 3.595 4.440 -8.799 1.00 0.00 C ATOM 438 O GLY A 26 3.274 3.255 -8.768 1.00 0.00 O ATOM 0 H GLY A 26 3.468 7.329 -9.069 1.00 0.00 H new ATOM 0 HA2 GLY A 26 1.890 5.650 -9.289 1.00 0.00 H new ATOM 0 HA3 GLY A 26 2.726 4.996 -10.683 1.00 0.00 H new ATOM 442 N ALA A 27 4.586 4.954 -8.070 1.00 0.00 N ATOM 443 CA ALA A 27 5.402 4.149 -7.172 1.00 0.00 C ATOM 444 C ALA A 27 4.610 3.738 -5.946 1.00 0.00 C ATOM 445 O ALA A 27 4.279 4.571 -5.103 1.00 0.00 O ATOM 446 CB ALA A 27 6.654 4.917 -6.757 1.00 0.00 C ATOM 0 H ALA A 27 4.843 5.941 -8.088 1.00 0.00 H new ATOM 0 HA ALA A 27 5.703 3.247 -7.705 1.00 0.00 H new ATOM 0 HB1 ALA A 27 7.253 4.301 -6.086 1.00 0.00 H new ATOM 0 HB2 ALA A 27 7.240 5.164 -7.643 1.00 0.00 H new ATOM 0 HB3 ALA A 27 6.365 5.835 -6.246 1.00 0.00 H new ATOM 452 N LEU A 28 4.308 2.460 -5.855 1.00 0.00 N ATOM 453 CA LEU A 28 3.557 1.937 -4.730 1.00 0.00 C ATOM 454 C LEU A 28 4.497 1.686 -3.563 1.00 0.00 C ATOM 455 O LEU A 28 5.284 0.738 -3.579 1.00 0.00 O ATOM 456 CB LEU A 28 2.831 0.646 -5.113 1.00 0.00 C ATOM 457 CG LEU A 28 2.070 0.702 -6.439 1.00 0.00 C ATOM 458 CD1 LEU A 28 2.882 0.061 -7.554 1.00 0.00 C ATOM 459 CD2 LEU A 28 0.711 0.033 -6.305 1.00 0.00 C ATOM 0 H LEU A 28 4.572 1.760 -6.549 1.00 0.00 H new ATOM 0 HA LEU A 28 2.807 2.672 -4.438 1.00 0.00 H new ATOM 0 HB2 LEU A 28 3.561 -0.162 -5.164 1.00 0.00 H new ATOM 0 HB3 LEU A 28 2.129 0.392 -4.319 1.00 0.00 H new ATOM 0 HG LEU A 28 1.910 1.749 -6.698 1.00 0.00 H new ATOM 0 HD11 LEU A 28 2.322 0.112 -8.488 1.00 0.00 H new ATOM 0 HD12 LEU A 28 3.827 0.593 -7.668 1.00 0.00 H new ATOM 0 HD13 LEU A 28 3.080 -0.982 -7.306 1.00 0.00 H new ATOM 0 HD21 LEU A 28 0.185 0.083 -7.258 1.00 0.00 H new ATOM 0 HD22 LEU A 28 0.846 -1.010 -6.019 1.00 0.00 H new ATOM 0 HD23 LEU A 28 0.127 0.546 -5.541 1.00 0.00 H new ATOM 471 N ASN A 29 4.417 2.539 -2.556 1.00 0.00 N ATOM 472 CA ASN A 29 5.325 2.465 -1.430 1.00 0.00 C ATOM 473 C ASN A 29 4.666 1.698 -0.305 1.00 0.00 C ATOM 474 O ASN A 29 3.434 1.629 -0.240 1.00 0.00 O ATOM 475 CB ASN A 29 5.715 3.869 -0.967 1.00 0.00 C ATOM 476 CG ASN A 29 6.617 4.574 -1.964 1.00 0.00 C ATOM 477 OD1 ASN A 29 7.837 4.503 -1.874 1.00 0.00 O ATOM 478 ND2 ASN A 29 6.027 5.250 -2.932 1.00 0.00 N ATOM 0 H ASN A 29 3.731 3.291 -2.497 1.00 0.00 H new ATOM 0 HA ASN A 29 6.234 1.945 -1.733 1.00 0.00 H new ATOM 0 HB2 ASN A 29 4.813 4.462 -0.813 1.00 0.00 H new ATOM 0 HB3 ASN A 29 6.222 3.804 -0.004 1.00 0.00 H new ATOM 0 HD21 ASN A 29 6.589 5.733 -3.633 1.00 0.00 H new ATOM 0 HD22 ASN A 29 5.009 5.290 -2.979 1.00 0.00 H new ATOM 485 N PRO A 30 5.454 1.090 0.590 1.00 0.00 N ATOM 486 CA PRO A 30 4.895 0.329 1.693 1.00 0.00 C ATOM 487 C PRO A 30 4.132 1.230 2.646 1.00 0.00 C ATOM 488 O PRO A 30 4.383 2.432 2.718 1.00 0.00 O ATOM 489 CB PRO A 30 6.117 -0.287 2.380 1.00 0.00 C ATOM 490 CG PRO A 30 7.260 0.580 1.984 1.00 0.00 C ATOM 491 CD PRO A 30 6.930 1.104 0.611 1.00 0.00 C ATOM 0 HA PRO A 30 4.180 -0.423 1.360 1.00 0.00 H new ATOM 0 HB2 PRO A 30 5.993 -0.306 3.463 1.00 0.00 H new ATOM 0 HB3 PRO A 30 6.273 -1.317 2.059 1.00 0.00 H new ATOM 0 HG2 PRO A 30 7.392 1.398 2.692 1.00 0.00 H new ATOM 0 HG3 PRO A 30 8.192 0.015 1.972 1.00 0.00 H new ATOM 0 HD2 PRO A 30 7.325 2.108 0.458 1.00 0.00 H new ATOM 0 HD3 PRO A 30 7.350 0.473 -0.172 1.00 0.00 H new ATOM 499 N ILE A 31 3.203 0.644 3.378 1.00 0.00 N ATOM 500 CA ILE A 31 2.396 1.382 4.340 1.00 0.00 C ATOM 501 C ILE A 31 3.275 1.953 5.461 1.00 0.00 C ATOM 502 O ILE A 31 2.840 2.784 6.255 1.00 0.00 O ATOM 503 CB ILE A 31 1.300 0.478 4.950 1.00 0.00 C ATOM 504 CG1 ILE A 31 1.888 -0.534 5.953 1.00 0.00 C ATOM 505 CG2 ILE A 31 0.555 -0.253 3.843 1.00 0.00 C ATOM 506 CD1 ILE A 31 2.692 -1.661 5.327 1.00 0.00 C ATOM 0 H ILE A 31 2.985 -0.351 3.326 1.00 0.00 H new ATOM 0 HA ILE A 31 1.918 2.205 3.809 1.00 0.00 H new ATOM 0 HB ILE A 31 0.605 1.117 5.495 1.00 0.00 H new ATOM 0 HG12 ILE A 31 2.527 0.002 6.655 1.00 0.00 H new ATOM 0 HG13 ILE A 31 1.072 -0.967 6.531 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -0.215 -0.888 4.281 1.00 0.00 H new ATOM 0 HG22 ILE A 31 0.091 0.473 3.176 1.00 0.00 H new ATOM 0 HG23 ILE A 31 1.255 -0.869 3.278 1.00 0.00 H new ATOM 0 HD11 ILE A 31 3.064 -2.321 6.110 1.00 0.00 H new ATOM 0 HD12 ILE A 31 2.056 -2.228 4.647 1.00 0.00 H new ATOM 0 HD13 ILE A 31 3.533 -1.244 4.774 1.00 0.00 H new ATOM 518 N ARG A 32 4.519 1.483 5.510 1.00 0.00 N ATOM 519 CA ARG A 32 5.480 1.919 6.511 1.00 0.00 C ATOM 520 C ARG A 32 6.268 3.130 6.024 1.00 0.00 C ATOM 521 O ARG A 32 6.794 3.899 6.827 1.00 0.00 O ATOM 522 CB ARG A 32 6.439 0.784 6.839 1.00 0.00 C ATOM 523 CG ARG A 32 5.730 -0.507 7.182 1.00 0.00 C ATOM 524 CD ARG A 32 6.708 -1.571 7.629 1.00 0.00 C ATOM 525 NE ARG A 32 7.469 -1.155 8.810 1.00 0.00 N ATOM 526 CZ ARG A 32 8.615 -1.715 9.195 1.00 0.00 C ATOM 527 NH1 ARG A 32 9.132 -2.724 8.505 1.00 0.00 N ATOM 528 NH2 ARG A 32 9.238 -1.268 10.278 1.00 0.00 N ATOM 0 H ARG A 32 4.885 0.791 4.857 1.00 0.00 H new ATOM 0 HA ARG A 32 4.929 2.204 7.408 1.00 0.00 H new ATOM 0 HB2 ARG A 32 7.098 0.615 5.988 1.00 0.00 H new ATOM 0 HB3 ARG A 32 7.070 1.079 7.677 1.00 0.00 H new ATOM 0 HG2 ARG A 32 5.001 -0.325 7.972 1.00 0.00 H new ATOM 0 HG3 ARG A 32 5.176 -0.862 6.313 1.00 0.00 H new ATOM 0 HD2 ARG A 32 6.167 -2.491 7.852 1.00 0.00 H new ATOM 0 HD3 ARG A 32 7.397 -1.796 6.815 1.00 0.00 H new ATOM 0 HE ARG A 32 7.098 -0.389 9.372 1.00 0.00 H new ATOM 0 HH11 ARG A 32 8.652 -3.074 7.676 1.00 0.00 H new ATOM 0 HH12 ARG A 32 10.010 -3.149 8.804 1.00 0.00 H new ATOM 0 HH21 ARG A 32 8.839 -0.497 10.814 1.00 0.00 H new ATOM 0 HH22 ARG A 32 10.115 -1.695 10.574 1.00 0.00 H new ATOM 542 N ALA A 33 6.353 3.288 4.707 1.00 0.00 N ATOM 543 CA ALA A 33 7.061 4.415 4.121 1.00 0.00 C ATOM 544 C ALA A 33 6.232 5.672 4.280 1.00 0.00 C ATOM 545 O ALA A 33 5.021 5.640 4.093 1.00 0.00 O ATOM 546 CB ALA A 33 7.355 4.169 2.652 1.00 0.00 C ATOM 0 H ALA A 33 5.940 2.649 4.028 1.00 0.00 H new ATOM 0 HA ALA A 33 8.012 4.536 4.641 1.00 0.00 H new ATOM 0 HB1 ALA A 33 7.885 5.027 2.238 1.00 0.00 H new ATOM 0 HB2 ALA A 33 7.973 3.277 2.549 1.00 0.00 H new ATOM 0 HB3 ALA A 33 6.419 4.026 2.112 1.00 0.00 H new ATOM 552 N THR A 34 6.872 6.772 4.613 1.00 0.00 N ATOM 553 CA THR A 34 6.150 8.005 4.861 1.00 0.00 C ATOM 554 C THR A 34 5.973 8.799 3.579 1.00 0.00 C ATOM 555 O THR A 34 5.146 9.706 3.505 1.00 0.00 O ATOM 556 CB THR A 34 6.870 8.870 5.908 1.00 0.00 C ATOM 557 OG1 THR A 34 8.197 9.193 5.459 1.00 0.00 O ATOM 558 CG2 THR A 34 6.946 8.137 7.236 1.00 0.00 C ATOM 0 H THR A 34 7.884 6.840 4.718 1.00 0.00 H new ATOM 0 HA THR A 34 5.168 7.733 5.247 1.00 0.00 H new ATOM 0 HB THR A 34 6.303 9.791 6.042 1.00 0.00 H new ATOM 0 HG1 THR A 34 8.645 9.745 6.133 1.00 0.00 H new ATOM 0 HG21 THR A 34 7.458 8.762 7.968 1.00 0.00 H new ATOM 0 HG22 THR A 34 5.938 7.917 7.589 1.00 0.00 H new ATOM 0 HG23 THR A 34 7.496 7.205 7.106 1.00 0.00 H new ATOM 566 N LYS A 35 6.741 8.443 2.562 1.00 0.00 N ATOM 567 CA LYS A 35 6.712 9.166 1.308 1.00 0.00 C ATOM 568 C LYS A 35 7.136 8.266 0.163 1.00 0.00 C ATOM 569 O LYS A 35 7.446 7.094 0.360 1.00 0.00 O ATOM 570 CB LYS A 35 7.633 10.385 1.381 1.00 0.00 C ATOM 571 CG LYS A 35 9.100 10.036 1.540 1.00 0.00 C ATOM 572 CD LYS A 35 9.925 11.252 1.919 1.00 0.00 C ATOM 573 CE LYS A 35 11.324 10.852 2.359 1.00 0.00 C ATOM 574 NZ LYS A 35 12.112 12.010 2.860 1.00 0.00 N ATOM 0 H LYS A 35 7.391 7.657 2.584 1.00 0.00 H new ATOM 0 HA LYS A 35 5.691 9.501 1.128 1.00 0.00 H new ATOM 0 HB2 LYS A 35 7.507 10.979 0.476 1.00 0.00 H new ATOM 0 HB3 LYS A 35 7.325 11.011 2.218 1.00 0.00 H new ATOM 0 HG2 LYS A 35 9.211 9.267 2.305 1.00 0.00 H new ATOM 0 HG3 LYS A 35 9.478 9.615 0.608 1.00 0.00 H new ATOM 0 HD2 LYS A 35 9.989 11.931 1.069 1.00 0.00 H new ATOM 0 HD3 LYS A 35 9.429 11.795 2.724 1.00 0.00 H new ATOM 0 HE2 LYS A 35 11.254 10.097 3.142 1.00 0.00 H new ATOM 0 HE3 LYS A 35 11.849 10.394 1.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 13.058 11.688 3.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 12.203 12.720 2.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 11.627 12.433 3.677 1.00 0.00 H new ATOM 588 N CYS A 36 7.133 8.829 -1.031 1.00 0.00 N ATOM 589 CA CYS A 36 7.600 8.126 -2.209 1.00 0.00 C ATOM 590 C CYS A 36 9.086 7.857 -2.073 1.00 0.00 C ATOM 591 O CYS A 36 9.845 8.777 -1.816 1.00 0.00 O ATOM 592 CB CYS A 36 7.376 8.990 -3.443 1.00 0.00 C ATOM 593 SG CYS A 36 7.883 8.212 -5.016 1.00 0.00 S ATOM 0 H CYS A 36 6.809 9.779 -1.210 1.00 0.00 H new ATOM 0 HA CYS A 36 7.053 7.188 -2.308 1.00 0.00 H new ATOM 0 HB2 CYS A 36 6.318 9.247 -3.504 1.00 0.00 H new ATOM 0 HB3 CYS A 36 7.924 9.924 -3.321 1.00 0.00 H new ATOM 598 N ARG A 37 9.514 6.625 -2.245 1.00 0.00 N ATOM 599 CA ARG A 37 10.944 6.348 -2.220 1.00 0.00 C ATOM 600 C ARG A 37 11.565 6.588 -3.602 1.00 0.00 C ATOM 601 O ARG A 37 12.689 6.181 -3.872 1.00 0.00 O ATOM 602 CB ARG A 37 11.232 4.935 -1.691 1.00 0.00 C ATOM 603 CG ARG A 37 10.683 3.803 -2.536 1.00 0.00 C ATOM 604 CD ARG A 37 10.755 2.471 -1.796 1.00 0.00 C ATOM 605 NE ARG A 37 12.111 2.183 -1.318 1.00 0.00 N ATOM 606 CZ ARG A 37 12.459 1.080 -0.649 1.00 0.00 C ATOM 607 NH1 ARG A 37 11.572 0.117 -0.428 1.00 0.00 N ATOM 608 NH2 ARG A 37 13.709 0.931 -0.219 1.00 0.00 N ATOM 0 H ARG A 37 8.915 5.814 -2.400 1.00 0.00 H new ATOM 0 HA ARG A 37 11.416 7.043 -1.525 1.00 0.00 H new ATOM 0 HB2 ARG A 37 12.311 4.811 -1.603 1.00 0.00 H new ATOM 0 HB3 ARG A 37 10.819 4.850 -0.686 1.00 0.00 H new ATOM 0 HG2 ARG A 37 9.648 4.016 -2.805 1.00 0.00 H new ATOM 0 HG3 ARG A 37 11.247 3.735 -3.467 1.00 0.00 H new ATOM 0 HD2 ARG A 37 10.068 2.488 -0.950 1.00 0.00 H new ATOM 0 HD3 ARG A 37 10.426 1.670 -2.458 1.00 0.00 H new ATOM 0 HE ARG A 37 12.838 2.872 -1.509 1.00 0.00 H new ATOM 0 HH11 ARG A 37 10.616 0.216 -0.770 1.00 0.00 H new ATOM 0 HH12 ARG A 37 11.847 -0.722 0.084 1.00 0.00 H new ATOM 0 HH21 ARG A 37 14.401 1.658 -0.400 1.00 0.00 H new ATOM 0 HH22 ARG A 37 13.976 0.089 0.292 1.00 0.00 H new ATOM 622 N ARG A 38 10.814 7.273 -4.470 1.00 0.00 N ATOM 623 CA ARG A 38 11.320 7.708 -5.776 1.00 0.00 C ATOM 624 C ARG A 38 11.371 9.237 -5.859 1.00 0.00 C ATOM 625 O ARG A 38 12.350 9.802 -6.337 1.00 0.00 O ATOM 626 CB ARG A 38 10.462 7.162 -6.928 1.00 0.00 C ATOM 627 CG ARG A 38 10.689 5.694 -7.261 1.00 0.00 C ATOM 628 CD ARG A 38 10.143 4.774 -6.183 1.00 0.00 C ATOM 629 NE ARG A 38 10.159 3.375 -6.599 1.00 0.00 N ATOM 630 CZ ARG A 38 9.549 2.395 -5.936 1.00 0.00 C ATOM 631 NH1 ARG A 38 8.867 2.661 -4.828 1.00 0.00 N ATOM 632 NH2 ARG A 38 9.607 1.153 -6.384 1.00 0.00 N ATOM 0 H ARG A 38 9.846 7.540 -4.290 1.00 0.00 H new ATOM 0 HA ARG A 38 12.329 7.307 -5.876 1.00 0.00 H new ATOM 0 HB2 ARG A 38 9.411 7.303 -6.677 1.00 0.00 H new ATOM 0 HB3 ARG A 38 10.659 7.756 -7.821 1.00 0.00 H new ATOM 0 HG2 ARG A 38 10.212 5.460 -8.213 1.00 0.00 H new ATOM 0 HG3 ARG A 38 11.756 5.512 -7.386 1.00 0.00 H new ATOM 0 HD2 ARG A 38 10.734 4.889 -5.275 1.00 0.00 H new ATOM 0 HD3 ARG A 38 9.122 5.068 -5.938 1.00 0.00 H new ATOM 0 HE ARG A 38 10.668 3.134 -7.449 1.00 0.00 H new ATOM 0 HH11 ARG A 38 8.809 3.619 -4.482 1.00 0.00 H new ATOM 0 HH12 ARG A 38 8.401 1.907 -4.323 1.00 0.00 H new ATOM 0 HH21 ARG A 38 10.120 0.943 -7.240 1.00 0.00 H new ATOM 0 HH22 ARG A 38 9.139 0.404 -5.874 1.00 0.00 H new ATOM 646 N CYS A 39 10.314 9.905 -5.390 1.00 0.00 N ATOM 647 CA CYS A 39 10.288 11.372 -5.360 1.00 0.00 C ATOM 648 C CYS A 39 10.780 11.841 -4.017 1.00 0.00 C ATOM 649 O CYS A 39 11.512 12.822 -3.909 1.00 0.00 O ATOM 650 CB CYS A 39 8.874 11.964 -5.514 1.00 0.00 C ATOM 651 SG CYS A 39 7.914 11.446 -6.962 1.00 0.00 S ATOM 0 H CYS A 39 9.471 9.459 -5.028 1.00 0.00 H new ATOM 0 HA CYS A 39 10.908 11.700 -6.194 1.00 0.00 H new ATOM 0 HB2 CYS A 39 8.302 11.711 -4.621 1.00 0.00 H new ATOM 0 HB3 CYS A 39 8.963 13.050 -5.538 1.00 0.00 H new ATOM 656 N HIS A 40 10.359 11.103 -2.991 1.00 0.00 N ATOM 657 CA HIS A 40 10.420 11.574 -1.625 1.00 0.00 C ATOM 658 C HIS A 40 9.609 12.861 -1.527 1.00 0.00 C ATOM 659 O HIS A 40 10.136 13.923 -1.205 1.00 0.00 O ATOM 660 CB HIS A 40 11.864 11.792 -1.157 1.00 0.00 C ATOM 661 CG HIS A 40 12.738 10.574 -1.264 1.00 0.00 C ATOM 662 ND1 HIS A 40 12.622 9.345 -0.706 1.00 0.00 N flip ATOM 663 CD2 HIS A 40 13.896 10.539 -2.011 1.00 0.00 C flip ATOM 664 CE1 HIS A 40 13.696 8.605 -1.125 1.00 0.00 C flip ATOM 665 NE2 HIS A 40 14.449 9.346 -1.912 1.00 0.00 N flip ATOM 0 H HIS A 40 9.969 10.166 -3.092 1.00 0.00 H new ATOM 0 HA HIS A 40 9.998 10.816 -0.965 1.00 0.00 H new ATOM 0 HB2 HIS A 40 12.307 12.596 -1.745 1.00 0.00 H new ATOM 0 HB3 HIS A 40 11.851 12.126 -0.119 1.00 0.00 H new ATOM 0 HD2 HIS A 40 14.290 11.362 -2.589 1.00 0.00 H new ATOM 0 HE1 HIS A 40 13.894 7.579 -0.854 1.00 0.00 H new ATOM 0 HE2 HIS A 40 15.312 9.048 -2.367 1.00 0.00 H new ATOM 674 N SER A 41 8.319 12.750 -1.851 1.00 0.00 N ATOM 675 CA SER A 41 7.458 13.922 -1.995 1.00 0.00 C ATOM 676 C SER A 41 6.225 13.838 -1.094 1.00 0.00 C ATOM 677 O SER A 41 5.405 14.750 -1.073 1.00 0.00 O ATOM 678 CB SER A 41 7.027 14.048 -3.464 1.00 0.00 C ATOM 679 OG SER A 41 6.275 15.220 -3.693 1.00 0.00 O ATOM 0 H SER A 41 7.849 11.860 -2.018 1.00 0.00 H new ATOM 0 HA SER A 41 8.023 14.802 -1.690 1.00 0.00 H new ATOM 0 HB2 SER A 41 7.910 14.053 -4.102 1.00 0.00 H new ATOM 0 HB3 SER A 41 6.436 13.177 -3.745 1.00 0.00 H new ATOM 0 HG SER A 41 6.020 15.266 -4.638 1.00 0.00 H new ATOM 685 N THR A 42 6.116 12.747 -0.341 1.00 0.00 N ATOM 686 CA THR A 42 4.949 12.472 0.514 1.00 0.00 C ATOM 687 C THR A 42 3.620 12.603 -0.247 1.00 0.00 C ATOM 688 O THR A 42 2.572 12.833 0.354 1.00 0.00 O ATOM 689 CB THR A 42 4.919 13.373 1.779 1.00 0.00 C ATOM 690 OG1 THR A 42 4.829 14.763 1.431 1.00 0.00 O ATOM 691 CG2 THR A 42 6.163 13.145 2.623 1.00 0.00 C ATOM 0 H THR A 42 6.833 12.022 -0.302 1.00 0.00 H new ATOM 0 HA THR A 42 5.060 11.435 0.832 1.00 0.00 H new ATOM 0 HB THR A 42 4.033 13.101 2.353 1.00 0.00 H new ATOM 0 HG1 THR A 42 4.699 14.850 0.464 1.00 0.00 H new ATOM 0 HG21 THR A 42 6.126 13.784 3.505 1.00 0.00 H new ATOM 0 HG22 THR A 42 6.206 12.101 2.933 1.00 0.00 H new ATOM 0 HG23 THR A 42 7.050 13.387 2.037 1.00 0.00 H new ATOM 699 N ASN A 43 3.659 12.423 -1.565 1.00 0.00 N ATOM 700 CA ASN A 43 2.449 12.490 -2.371 1.00 0.00 C ATOM 701 C ASN A 43 2.034 11.100 -2.817 1.00 0.00 C ATOM 702 O ASN A 43 2.260 10.695 -3.961 1.00 0.00 O ATOM 703 CB ASN A 43 2.617 13.408 -3.589 1.00 0.00 C ATOM 704 CG ASN A 43 2.427 14.876 -3.245 1.00 0.00 C ATOM 705 OD1 ASN A 43 1.297 15.359 -3.159 1.00 0.00 O ATOM 706 ND2 ASN A 43 3.520 15.604 -3.081 1.00 0.00 N ATOM 0 H ASN A 43 4.511 12.231 -2.092 1.00 0.00 H new ATOM 0 HA ASN A 43 1.666 12.917 -1.744 1.00 0.00 H new ATOM 0 HB2 ASN A 43 3.610 13.264 -4.014 1.00 0.00 H new ATOM 0 HB3 ASN A 43 1.898 13.122 -4.357 1.00 0.00 H new ATOM 0 HD21 ASN A 43 3.443 16.600 -2.876 1.00 0.00 H new ATOM 0 HD22 ASN A 43 4.439 15.169 -3.160 1.00 0.00 H new ATOM 713 N LEU A 44 1.469 10.355 -1.883 1.00 0.00 N ATOM 714 CA LEU A 44 1.009 9.004 -2.149 1.00 0.00 C ATOM 715 C LEU A 44 -0.473 8.896 -1.828 1.00 0.00 C ATOM 716 O LEU A 44 -0.996 9.663 -1.020 1.00 0.00 O ATOM 717 CB LEU A 44 1.779 7.997 -1.291 1.00 0.00 C ATOM 718 CG LEU A 44 3.282 8.246 -1.160 1.00 0.00 C ATOM 719 CD1 LEU A 44 3.902 7.248 -0.194 1.00 0.00 C ATOM 720 CD2 LEU A 44 3.961 8.163 -2.514 1.00 0.00 C ATOM 0 H LEU A 44 1.317 10.668 -0.924 1.00 0.00 H new ATOM 0 HA LEU A 44 1.180 8.782 -3.202 1.00 0.00 H new ATOM 0 HB2 LEU A 44 1.343 7.991 -0.292 1.00 0.00 H new ATOM 0 HB3 LEU A 44 1.630 7.002 -1.710 1.00 0.00 H new ATOM 0 HG LEU A 44 3.429 9.251 -0.765 1.00 0.00 H new ATOM 0 HD11 LEU A 44 4.972 7.438 -0.111 1.00 0.00 H new ATOM 0 HD12 LEU A 44 3.438 7.354 0.787 1.00 0.00 H new ATOM 0 HD13 LEU A 44 3.741 6.235 -0.564 1.00 0.00 H new ATOM 0 HD21 LEU A 44 5.030 8.343 -2.397 1.00 0.00 H new ATOM 0 HD22 LEU A 44 3.805 7.172 -2.939 1.00 0.00 H new ATOM 0 HD23 LEU A 44 3.537 8.914 -3.180 1.00 0.00 H new ATOM 732 N ARG A 45 -1.143 7.947 -2.451 1.00 0.00 N ATOM 733 CA ARG A 45 -2.541 7.688 -2.155 1.00 0.00 C ATOM 734 C ARG A 45 -2.743 6.202 -1.917 1.00 0.00 C ATOM 735 O ARG A 45 -2.386 5.376 -2.757 1.00 0.00 O ATOM 736 CB ARG A 45 -3.457 8.171 -3.288 1.00 0.00 C ATOM 737 CG ARG A 45 -3.121 7.576 -4.645 1.00 0.00 C ATOM 738 CD ARG A 45 -2.354 8.563 -5.506 1.00 0.00 C ATOM 739 NE ARG A 45 -1.753 7.923 -6.674 1.00 0.00 N ATOM 740 CZ ARG A 45 -2.197 8.070 -7.922 1.00 0.00 C ATOM 741 NH1 ARG A 45 -3.323 8.731 -8.158 1.00 0.00 N ATOM 742 NH2 ARG A 45 -1.530 7.524 -8.932 1.00 0.00 N ATOM 0 H ARG A 45 -0.743 7.341 -3.167 1.00 0.00 H new ATOM 0 HA ARG A 45 -2.808 8.244 -1.256 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -4.489 7.923 -3.039 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -3.397 9.257 -3.353 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -2.529 6.671 -4.511 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -4.040 7.284 -5.154 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -3.026 9.356 -5.834 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -1.573 9.033 -4.909 1.00 0.00 H new ATOM 0 HE ARG A 45 -0.941 7.325 -6.524 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -3.853 9.129 -7.383 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -3.659 8.841 -9.115 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -0.678 6.992 -8.753 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -1.869 7.636 -9.887 1.00 0.00 H new ATOM 756 N LEU A 46 -3.276 5.861 -0.762 1.00 0.00 N ATOM 757 CA LEU A 46 -3.566 4.476 -0.455 1.00 0.00 C ATOM 758 C LEU A 46 -4.862 4.087 -1.149 1.00 0.00 C ATOM 759 O LEU A 46 -5.823 4.860 -1.149 1.00 0.00 O ATOM 760 CB LEU A 46 -3.653 4.278 1.058 1.00 0.00 C ATOM 761 CG LEU A 46 -3.407 2.849 1.541 1.00 0.00 C ATOM 762 CD1 LEU A 46 -2.613 2.863 2.832 1.00 0.00 C ATOM 763 CD2 LEU A 46 -4.722 2.109 1.734 1.00 0.00 C ATOM 0 H LEU A 46 -3.516 6.521 -0.023 1.00 0.00 H new ATOM 0 HA LEU A 46 -2.766 3.831 -0.818 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -2.928 4.936 1.537 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -4.641 4.593 1.394 1.00 0.00 H new ATOM 0 HG LEU A 46 -2.831 2.323 0.780 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -2.444 1.839 3.166 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -1.654 3.353 2.664 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -3.169 3.407 3.595 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -4.521 1.094 2.078 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -5.328 2.630 2.475 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -5.261 2.071 0.787 1.00 0.00 H new ATOM 775 N LYS A 47 -4.871 2.920 -1.778 1.00 0.00 N ATOM 776 CA LYS A 47 -6.021 2.484 -2.559 1.00 0.00 C ATOM 777 C LYS A 47 -7.273 2.415 -1.698 1.00 0.00 C ATOM 778 O LYS A 47 -7.226 1.988 -0.545 1.00 0.00 O ATOM 779 CB LYS A 47 -5.747 1.137 -3.227 1.00 0.00 C ATOM 780 CG LYS A 47 -4.716 1.225 -4.340 1.00 0.00 C ATOM 781 CD LYS A 47 -4.514 -0.115 -5.023 1.00 0.00 C ATOM 782 CE LYS A 47 -3.616 0.017 -6.242 1.00 0.00 C ATOM 783 NZ LYS A 47 -4.229 0.869 -7.297 1.00 0.00 N ATOM 0 H LYS A 47 -4.095 2.258 -1.763 1.00 0.00 H new ATOM 0 HA LYS A 47 -6.192 3.223 -3.342 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -5.402 0.428 -2.475 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -6.679 0.743 -3.633 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -5.036 1.964 -5.075 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -3.767 1.572 -3.931 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -4.074 -0.822 -4.319 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -5.480 -0.522 -5.322 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -2.659 0.444 -5.942 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -3.410 -0.973 -6.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -3.741 0.707 -8.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -5.235 0.626 -7.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -4.139 1.870 -7.030 1.00 0.00 H new ATOM 797 N LYS A 48 -8.386 2.855 -2.272 1.00 0.00 N ATOM 798 CA LYS A 48 -9.642 2.944 -1.549 1.00 0.00 C ATOM 799 C LYS A 48 -10.130 1.558 -1.151 1.00 0.00 C ATOM 800 O LYS A 48 -10.627 0.796 -1.980 1.00 0.00 O ATOM 801 CB LYS A 48 -10.692 3.667 -2.400 1.00 0.00 C ATOM 802 CG LYS A 48 -11.983 3.964 -1.668 1.00 0.00 C ATOM 803 CD LYS A 48 -11.734 4.935 -0.533 1.00 0.00 C ATOM 804 CE LYS A 48 -11.271 6.296 -1.035 1.00 0.00 C ATOM 805 NZ LYS A 48 -12.269 6.941 -1.928 1.00 0.00 N ATOM 0 H LYS A 48 -8.441 3.157 -3.245 1.00 0.00 H new ATOM 0 HA LYS A 48 -9.480 3.520 -0.638 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -10.268 4.604 -2.762 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -10.915 3.059 -3.276 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -12.713 4.383 -2.360 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -12.408 3.039 -1.278 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -12.648 5.055 0.048 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -10.982 4.522 0.139 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -11.076 6.947 -0.183 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -10.329 6.181 -1.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -12.017 7.941 -2.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -12.276 6.456 -2.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -13.213 6.878 -1.496 1.00 0.00 H new ATOM 819 N LYS A 49 -9.958 1.237 0.118 1.00 0.00 N ATOM 820 CA LYS A 49 -10.329 -0.067 0.635 1.00 0.00 C ATOM 821 C LYS A 49 -11.679 -0.007 1.336 1.00 0.00 C ATOM 822 O LYS A 49 -11.788 0.500 2.454 1.00 0.00 O ATOM 823 CB LYS A 49 -9.262 -0.566 1.608 1.00 0.00 C ATOM 824 CG LYS A 49 -9.490 -1.978 2.063 1.00 0.00 C ATOM 825 CD LYS A 49 -9.423 -2.935 0.898 1.00 0.00 C ATOM 826 CE LYS A 49 -10.295 -4.125 1.164 1.00 0.00 C ATOM 827 NZ LYS A 49 -10.135 -5.176 0.128 1.00 0.00 N ATOM 0 H LYS A 49 -9.560 1.867 0.814 1.00 0.00 H new ATOM 0 HA LYS A 49 -10.405 -0.759 -0.204 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -8.284 -0.498 1.131 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -9.238 0.090 2.478 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -8.741 -2.250 2.807 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -10.463 -2.056 2.548 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -9.746 -2.434 -0.015 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -8.394 -3.256 0.739 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -10.052 -4.541 2.142 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -11.338 -3.809 1.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -10.756 -5.980 0.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -10.391 -4.788 -0.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -9.146 -5.497 0.109 1.00 0.00 H new ATOM 841 N GLU A 50 -12.702 -0.509 0.668 1.00 0.00 N ATOM 842 CA GLU A 50 -14.027 -0.600 1.254 1.00 0.00 C ATOM 843 C GLU A 50 -14.219 -1.955 1.916 1.00 0.00 C ATOM 844 O GLU A 50 -13.339 -2.817 1.856 1.00 0.00 O ATOM 845 CB GLU A 50 -15.105 -0.382 0.198 1.00 0.00 C ATOM 846 CG GLU A 50 -15.253 1.066 -0.221 1.00 0.00 C ATOM 847 CD GLU A 50 -15.632 1.967 0.936 1.00 0.00 C ATOM 848 OE1 GLU A 50 -16.752 1.822 1.470 1.00 0.00 O ATOM 849 OE2 GLU A 50 -14.805 2.813 1.328 1.00 0.00 O ATOM 0 H GLU A 50 -12.639 -0.862 -0.287 1.00 0.00 H new ATOM 0 HA GLU A 50 -14.118 0.182 2.008 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -14.870 -0.984 -0.680 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -16.059 -0.740 0.584 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -14.316 1.413 -0.656 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -16.012 1.140 -0.999 1.00 0.00 H new ATOM 856 N LEU A 51 -15.369 -2.141 2.536 1.00 0.00 N ATOM 857 CA LEU A 51 -15.693 -3.397 3.195 1.00 0.00 C ATOM 858 C LEU A 51 -16.879 -4.051 2.498 1.00 0.00 C ATOM 859 O LEU A 51 -17.708 -3.358 1.902 1.00 0.00 O ATOM 860 CB LEU A 51 -16.025 -3.178 4.684 1.00 0.00 C ATOM 861 CG LEU A 51 -14.868 -2.710 5.585 1.00 0.00 C ATOM 862 CD1 LEU A 51 -13.624 -3.559 5.359 1.00 0.00 C ATOM 863 CD2 LEU A 51 -14.563 -1.234 5.370 1.00 0.00 C ATOM 0 H LEU A 51 -16.101 -1.434 2.598 1.00 0.00 H new ATOM 0 HA LEU A 51 -14.821 -4.048 3.132 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -16.827 -2.443 4.750 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -16.415 -4.113 5.087 1.00 0.00 H new ATOM 0 HG LEU A 51 -15.182 -2.838 6.621 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -12.821 -3.208 6.007 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -13.848 -4.601 5.590 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -13.312 -3.477 4.318 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -13.742 -0.934 6.020 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -14.282 -1.068 4.330 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -15.447 -0.642 5.605 1.00 0.00 H new ATOM 875 N PRO A 52 -16.968 -5.389 2.543 1.00 0.00 N ATOM 876 CA PRO A 52 -18.102 -6.111 1.974 1.00 0.00 C ATOM 877 C PRO A 52 -19.385 -5.822 2.747 1.00 0.00 C ATOM 878 O PRO A 52 -19.529 -6.217 3.904 1.00 0.00 O ATOM 879 CB PRO A 52 -17.703 -7.586 2.103 1.00 0.00 C ATOM 880 CG PRO A 52 -16.688 -7.620 3.195 1.00 0.00 C ATOM 881 CD PRO A 52 -15.975 -6.297 3.148 1.00 0.00 C ATOM 0 HA PRO A 52 -18.308 -5.819 0.944 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -18.565 -8.208 2.346 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -17.290 -7.966 1.169 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -17.164 -7.771 4.164 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -15.989 -8.444 3.051 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -15.682 -5.964 4.144 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -15.066 -6.353 2.550 1.00 0.00 H new ATOM 889 N THR A 53 -20.296 -5.100 2.113 1.00 0.00 N ATOM 890 CA THR A 53 -21.543 -4.718 2.753 1.00 0.00 C ATOM 891 C THR A 53 -22.455 -5.925 2.952 1.00 0.00 C ATOM 892 O THR A 53 -23.118 -6.381 2.016 1.00 0.00 O ATOM 893 CB THR A 53 -22.278 -3.640 1.931 1.00 0.00 C ATOM 894 OG1 THR A 53 -22.369 -4.046 0.556 1.00 0.00 O ATOM 895 CG2 THR A 53 -21.556 -2.303 2.019 1.00 0.00 C ATOM 0 H THR A 53 -20.194 -4.767 1.154 1.00 0.00 H new ATOM 0 HA THR A 53 -21.293 -4.306 3.731 1.00 0.00 H new ATOM 0 HB THR A 53 -23.280 -3.523 2.344 1.00 0.00 H new ATOM 0 HG1 THR A 53 -22.653 -4.983 0.510 1.00 0.00 H new ATOM 0 HG21 THR A 53 -22.094 -1.560 1.431 1.00 0.00 H new ATOM 0 HG22 THR A 53 -21.513 -1.981 3.059 1.00 0.00 H new ATOM 0 HG23 THR A 53 -20.543 -2.410 1.630 1.00 0.00 H new ATOM 903 N LYS A 54 -22.478 -6.445 4.169 1.00 0.00 N ATOM 904 CA LYS A 54 -23.282 -7.612 4.481 1.00 0.00 C ATOM 905 C LYS A 54 -24.746 -7.232 4.626 1.00 0.00 C ATOM 906 O LYS A 54 -25.074 -6.132 5.075 1.00 0.00 O ATOM 907 CB LYS A 54 -22.797 -8.276 5.768 1.00 0.00 C ATOM 908 CG LYS A 54 -21.397 -8.858 5.673 1.00 0.00 C ATOM 909 CD LYS A 54 -21.040 -9.629 6.931 1.00 0.00 C ATOM 910 CE LYS A 54 -21.996 -10.791 7.157 1.00 0.00 C ATOM 911 NZ LYS A 54 -21.792 -11.435 8.478 1.00 0.00 N ATOM 0 H LYS A 54 -21.947 -6.075 4.957 1.00 0.00 H new ATOM 0 HA LYS A 54 -23.177 -8.318 3.657 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -22.821 -7.543 6.574 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -23.492 -9.071 6.039 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -21.332 -9.517 4.808 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -20.676 -8.056 5.517 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -20.020 -10.005 6.853 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -21.068 -8.960 7.791 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -23.023 -10.434 7.083 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -21.859 -11.531 6.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -22.464 -12.221 8.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -20.820 -11.800 8.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -21.949 -10.737 9.233 1.00 0.00 H new ATOM 925 N LYS A 55 -25.616 -8.148 4.239 1.00 0.00 N ATOM 926 CA LYS A 55 -27.049 -7.936 4.349 1.00 0.00 C ATOM 927 C LYS A 55 -27.586 -8.720 5.544 1.00 0.00 C ATOM 928 O LYS A 55 -28.791 -8.782 5.791 1.00 0.00 O ATOM 929 CB LYS A 55 -27.728 -8.376 3.048 1.00 0.00 C ATOM 930 CG LYS A 55 -29.146 -7.869 2.881 1.00 0.00 C ATOM 931 CD LYS A 55 -29.700 -8.263 1.524 1.00 0.00 C ATOM 932 CE LYS A 55 -31.085 -7.690 1.294 1.00 0.00 C ATOM 933 NZ LYS A 55 -31.586 -7.999 -0.071 1.00 0.00 N ATOM 0 H LYS A 55 -25.353 -9.051 3.844 1.00 0.00 H new ATOM 0 HA LYS A 55 -27.263 -6.879 4.508 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -27.130 -8.030 2.205 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -27.737 -9.465 3.007 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -29.778 -8.276 3.670 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -29.164 -6.784 2.986 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -29.027 -7.913 0.741 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -29.739 -9.350 1.449 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -31.774 -8.094 2.035 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -31.061 -6.610 1.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -32.535 -7.592 -0.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -30.941 -7.592 -0.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -31.633 -9.030 -0.199 1.00 0.00 H new ATOM 947 N GLY A 56 -26.662 -9.313 6.288 1.00 0.00 N ATOM 948 CA GLY A 56 -27.013 -10.086 7.458 1.00 0.00 C ATOM 949 C GLY A 56 -25.824 -10.859 7.983 1.00 0.00 C ATOM 950 O GLY A 56 -25.629 -12.014 7.553 1.00 0.00 O ATOM 951 OXT GLY A 56 -25.060 -10.302 8.799 1.00 0.00 O ATOM 0 H GLY A 56 -25.661 -9.269 6.096 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -27.390 -9.422 8.236 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -27.819 -10.777 7.211 1.00 0.00 H new TER 955 GLY A 56 HETATM 956 ZN ZN A 57 7.105 9.282 -6.920 1.00 0.00 ZN