USER MOD reduce.3.24.130724 H: found=0, std=0, add=744, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 744 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 40 THR OG1 : rot 99:sc= 0.96 USER MOD Set 1.2: A 67 THR OG1 : rot -83:sc=0.000115 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= -0.102 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 59:sc= 1.08 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot -87:sc= 0.699 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 ASN :FLIP amide:sc= -0.052 F(o=-0.82!,f=-0.052) USER MOD Single : A 41 CYS SG : rot 30:sc= 0.0182 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.0898) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 CYS SG : rot -14:sc= 0.117 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ 160:sc= 1.17 (180deg=0.775) USER MOD Single : A 85 HIS : no HE2:sc= -0.517 K(o=-0.52,f=-1.5) USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= -0.124 K(o=-0.12,f=-2.3!) USER MOD ----------------------------------------------------------------- ATOM 33 N VAL A 3 -4.816 9.043 -4.432 1.00 0.00 N ATOM 34 CA VAL A 3 -3.862 8.002 -4.048 1.00 0.00 C ATOM 35 C VAL A 3 -2.668 7.934 -5.023 1.00 0.00 C ATOM 36 O VAL A 3 -2.808 7.530 -6.178 1.00 0.00 O ATOM 37 CB VAL A 3 -4.641 6.683 -3.880 1.00 0.00 C ATOM 38 CG1 VAL A 3 -3.722 5.504 -3.523 1.00 0.00 C ATOM 39 CG2 VAL A 3 -5.690 6.800 -2.757 1.00 0.00 C ATOM 0 HA VAL A 3 -3.394 8.232 -3.091 1.00 0.00 H new ATOM 0 HB VAL A 3 -5.118 6.497 -4.842 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -4.318 4.598 -3.415 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -2.987 5.363 -4.315 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -3.208 5.714 -2.585 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -6.225 5.856 -2.659 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -5.191 7.033 -1.816 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -6.396 7.594 -3.000 1.00 0.00 H new ATOM 49 N LYS A 4 -1.481 8.367 -4.574 1.00 0.00 N ATOM 50 CA LYS A 4 -0.274 8.285 -5.399 1.00 0.00 C ATOM 51 C LYS A 4 0.063 6.813 -5.580 1.00 0.00 C ATOM 52 O LYS A 4 0.096 6.102 -4.576 1.00 0.00 O ATOM 53 CB LYS A 4 0.923 9.020 -4.757 1.00 0.00 C ATOM 54 CG LYS A 4 1.698 9.861 -5.794 1.00 0.00 C ATOM 55 CD LYS A 4 1.426 11.359 -5.599 1.00 0.00 C ATOM 56 CE LYS A 4 1.700 12.177 -6.860 1.00 0.00 C ATOM 57 NZ LYS A 4 1.458 13.609 -6.608 1.00 0.00 N ATOM 0 H LYS A 4 -1.334 8.774 -3.650 1.00 0.00 H new ATOM 0 HA LYS A 4 -0.466 8.770 -6.356 1.00 0.00 H new ATOM 0 HB2 LYS A 4 0.566 9.668 -3.957 1.00 0.00 H new ATOM 0 HB3 LYS A 4 1.595 8.293 -4.302 1.00 0.00 H new ATOM 0 HG2 LYS A 4 2.766 9.666 -5.701 1.00 0.00 H new ATOM 0 HG3 LYS A 4 1.406 9.563 -6.801 1.00 0.00 H new ATOM 0 HD2 LYS A 4 0.388 11.499 -5.298 1.00 0.00 H new ATOM 0 HD3 LYS A 4 2.047 11.734 -4.786 1.00 0.00 H new ATOM 0 HE2 LYS A 4 2.731 12.027 -7.181 1.00 0.00 H new ATOM 0 HE3 LYS A 4 1.060 11.831 -7.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 1.649 14.151 -7.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 0.468 13.749 -6.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 2.087 13.939 -5.848 1.00 0.00 H new ATOM 71 N ILE A 5 0.309 6.375 -6.814 1.00 0.00 N ATOM 72 CA ILE A 5 0.776 5.035 -7.147 1.00 0.00 C ATOM 73 C ILE A 5 1.734 5.223 -8.309 1.00 0.00 C ATOM 74 O ILE A 5 1.396 5.952 -9.249 1.00 0.00 O ATOM 75 CB ILE A 5 -0.380 4.092 -7.551 1.00 0.00 C ATOM 76 CG1 ILE A 5 -1.422 4.019 -6.425 1.00 0.00 C ATOM 77 CG2 ILE A 5 0.157 2.687 -7.876 1.00 0.00 C ATOM 78 CD1 ILE A 5 -2.625 3.146 -6.735 1.00 0.00 C ATOM 0 H ILE A 5 0.183 6.966 -7.636 1.00 0.00 H new ATOM 0 HA ILE A 5 1.249 4.567 -6.284 1.00 0.00 H new ATOM 0 HB ILE A 5 -0.858 4.492 -8.445 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -0.938 3.642 -5.524 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -1.769 5.028 -6.203 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -0.671 2.037 -8.158 1.00 0.00 H new ATOM 0 HG22 ILE A 5 0.866 2.750 -8.701 1.00 0.00 H new ATOM 0 HG23 ILE A 5 0.657 2.277 -6.999 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -3.308 3.153 -5.886 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -3.138 3.532 -7.616 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -2.294 2.125 -6.926 1.00 0.00 H new ATOM 90 N GLU A 6 2.892 4.572 -8.261 1.00 0.00 N ATOM 91 CA GLU A 6 3.830 4.529 -9.369 1.00 0.00 C ATOM 92 C GLU A 6 4.771 3.340 -9.216 1.00 0.00 C ATOM 93 O GLU A 6 4.772 2.671 -8.182 1.00 0.00 O ATOM 94 CB GLU A 6 4.604 5.853 -9.481 1.00 0.00 C ATOM 95 CG GLU A 6 5.155 6.414 -8.158 1.00 0.00 C ATOM 96 CD GLU A 6 5.720 7.824 -8.334 1.00 0.00 C ATOM 97 OE1 GLU A 6 5.115 8.652 -9.050 1.00 0.00 O ATOM 98 OE2 GLU A 6 6.825 8.108 -7.809 1.00 0.00 O ATOM 0 H GLU A 6 3.206 4.054 -7.440 1.00 0.00 H new ATOM 0 HA GLU A 6 3.273 4.399 -10.297 1.00 0.00 H new ATOM 0 HB2 GLU A 6 5.437 5.709 -10.169 1.00 0.00 H new ATOM 0 HB3 GLU A 6 3.948 6.600 -9.927 1.00 0.00 H new ATOM 0 HG2 GLU A 6 4.361 6.430 -7.411 1.00 0.00 H new ATOM 0 HG3 GLU A 6 5.935 5.754 -7.780 1.00 0.00 H new ATOM 105 N LYS A 7 5.608 3.093 -10.225 1.00 0.00 N ATOM 106 CA LYS A 7 6.615 2.037 -10.218 1.00 0.00 C ATOM 107 C LYS A 7 8.005 2.677 -10.154 1.00 0.00 C ATOM 108 O LYS A 7 8.574 2.951 -11.214 1.00 0.00 O ATOM 109 CB LYS A 7 6.449 1.103 -11.425 1.00 0.00 C ATOM 110 CG LYS A 7 5.171 0.261 -11.385 1.00 0.00 C ATOM 111 CD LYS A 7 3.997 0.942 -12.100 1.00 0.00 C ATOM 112 CE LYS A 7 3.632 0.288 -13.440 1.00 0.00 C ATOM 113 NZ LYS A 7 4.460 0.779 -14.563 1.00 0.00 N ATOM 0 H LYS A 7 5.602 3.636 -11.089 1.00 0.00 H new ATOM 0 HA LYS A 7 6.486 1.409 -9.336 1.00 0.00 H new ATOM 0 HB2 LYS A 7 6.451 1.700 -12.337 1.00 0.00 H new ATOM 0 HB3 LYS A 7 7.310 0.437 -11.478 1.00 0.00 H new ATOM 0 HG2 LYS A 7 5.363 -0.707 -11.848 1.00 0.00 H new ATOM 0 HG3 LYS A 7 4.898 0.069 -10.347 1.00 0.00 H new ATOM 0 HD2 LYS A 7 3.125 0.924 -11.447 1.00 0.00 H new ATOM 0 HD3 LYS A 7 4.245 1.989 -12.272 1.00 0.00 H new ATOM 0 HE2 LYS A 7 3.748 -0.793 -13.355 1.00 0.00 H new ATOM 0 HE3 LYS A 7 2.581 0.480 -13.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 4.170 0.304 -15.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 4.332 1.806 -14.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 5.461 0.573 -14.372 1.00 0.00 H new ATOM 127 N PRO A 8 8.518 3.007 -8.958 1.00 0.00 N ATOM 128 CA PRO A 8 9.799 3.688 -8.797 1.00 0.00 C ATOM 129 C PRO A 8 10.998 2.792 -9.131 1.00 0.00 C ATOM 130 O PRO A 8 10.880 1.575 -9.291 1.00 0.00 O ATOM 131 CB PRO A 8 9.830 4.146 -7.336 1.00 0.00 C ATOM 132 CG PRO A 8 8.915 3.165 -6.617 1.00 0.00 C ATOM 133 CD PRO A 8 7.879 2.800 -7.667 1.00 0.00 C ATOM 0 HA PRO A 8 9.883 4.523 -9.492 1.00 0.00 H new ATOM 0 HB2 PRO A 8 10.842 4.117 -6.931 1.00 0.00 H new ATOM 0 HB3 PRO A 8 9.474 5.171 -7.232 1.00 0.00 H new ATOM 0 HG2 PRO A 8 9.462 2.287 -6.272 1.00 0.00 H new ATOM 0 HG3 PRO A 8 8.453 3.618 -5.740 1.00 0.00 H new ATOM 0 HD2 PRO A 8 7.558 1.765 -7.553 1.00 0.00 H new ATOM 0 HD3 PRO A 8 6.989 3.422 -7.569 1.00 0.00 H new ATOM 141 N THR A 9 12.173 3.416 -9.205 1.00 0.00 N ATOM 142 CA THR A 9 13.457 2.753 -9.399 1.00 0.00 C ATOM 143 C THR A 9 13.848 1.948 -8.144 1.00 0.00 C ATOM 144 O THR A 9 13.542 2.370 -7.023 1.00 0.00 O ATOM 145 CB THR A 9 14.523 3.796 -9.785 1.00 0.00 C ATOM 146 OG1 THR A 9 15.823 3.252 -9.779 1.00 0.00 O ATOM 147 CG2 THR A 9 14.539 4.990 -8.836 1.00 0.00 C ATOM 0 H THR A 9 12.257 4.430 -9.129 1.00 0.00 H new ATOM 0 HA THR A 9 13.381 2.037 -10.217 1.00 0.00 H new ATOM 0 HB THR A 9 14.247 4.117 -10.789 1.00 0.00 H new ATOM 0 HG1 THR A 9 16.469 3.945 -10.031 1.00 0.00 H new ATOM 0 HG21 THR A 9 15.308 5.696 -9.152 1.00 0.00 H new ATOM 0 HG22 THR A 9 13.566 5.481 -8.853 1.00 0.00 H new ATOM 0 HG23 THR A 9 14.755 4.648 -7.824 1.00 0.00 H new ATOM 155 N PRO A 10 14.596 0.838 -8.295 1.00 0.00 N ATOM 156 CA PRO A 10 15.140 0.093 -7.168 1.00 0.00 C ATOM 157 C PRO A 10 16.137 0.890 -6.325 1.00 0.00 C ATOM 158 O PRO A 10 16.206 0.639 -5.119 1.00 0.00 O ATOM 159 CB PRO A 10 15.806 -1.142 -7.779 1.00 0.00 C ATOM 160 CG PRO A 10 16.109 -0.744 -9.219 1.00 0.00 C ATOM 161 CD PRO A 10 14.949 0.185 -9.549 1.00 0.00 C ATOM 0 HA PRO A 10 14.341 -0.160 -6.471 1.00 0.00 H new ATOM 0 HB2 PRO A 10 16.716 -1.408 -7.242 1.00 0.00 H new ATOM 0 HB3 PRO A 10 15.147 -2.009 -7.738 1.00 0.00 H new ATOM 0 HG2 PRO A 10 17.072 -0.240 -9.308 1.00 0.00 H new ATOM 0 HG3 PRO A 10 16.139 -1.608 -9.882 1.00 0.00 H new ATOM 0 HD2 PRO A 10 15.236 0.917 -10.304 1.00 0.00 H new ATOM 0 HD3 PRO A 10 14.103 -0.373 -9.951 1.00 0.00 H new ATOM 169 N GLU A 11 16.889 1.819 -6.928 1.00 0.00 N ATOM 170 CA GLU A 11 17.989 2.508 -6.255 1.00 0.00 C ATOM 171 C GLU A 11 17.472 3.330 -5.086 1.00 0.00 C ATOM 172 O GLU A 11 17.922 3.167 -3.951 1.00 0.00 O ATOM 173 CB GLU A 11 18.745 3.413 -7.236 1.00 0.00 C ATOM 174 CG GLU A 11 19.649 2.593 -8.156 1.00 0.00 C ATOM 175 CD GLU A 11 20.412 3.486 -9.129 1.00 0.00 C ATOM 176 OE1 GLU A 11 21.151 4.393 -8.690 1.00 0.00 O ATOM 177 OE2 GLU A 11 20.307 3.251 -10.355 1.00 0.00 O ATOM 0 H GLU A 11 16.750 2.112 -7.895 1.00 0.00 H new ATOM 0 HA GLU A 11 18.676 1.752 -5.876 1.00 0.00 H new ATOM 0 HB2 GLU A 11 18.033 3.982 -7.834 1.00 0.00 H new ATOM 0 HB3 GLU A 11 19.344 4.135 -6.681 1.00 0.00 H new ATOM 0 HG2 GLU A 11 20.356 2.019 -7.557 1.00 0.00 H new ATOM 0 HG3 GLU A 11 19.048 1.875 -8.714 1.00 0.00 H new ATOM 184 N LYS A 12 16.492 4.187 -5.379 1.00 0.00 N ATOM 185 CA LYS A 12 15.852 5.076 -4.422 1.00 0.00 C ATOM 186 C LYS A 12 15.331 4.261 -3.250 1.00 0.00 C ATOM 187 O LYS A 12 15.607 4.575 -2.100 1.00 0.00 O ATOM 188 CB LYS A 12 14.744 5.849 -5.155 1.00 0.00 C ATOM 189 CG LYS A 12 14.328 7.164 -4.474 1.00 0.00 C ATOM 190 CD LYS A 12 14.475 8.316 -5.481 1.00 0.00 C ATOM 191 CE LYS A 12 13.924 9.639 -4.963 1.00 0.00 C ATOM 192 NZ LYS A 12 14.814 10.262 -3.974 1.00 0.00 N ATOM 0 H LYS A 12 16.113 4.280 -6.322 1.00 0.00 H new ATOM 0 HA LYS A 12 16.554 5.802 -4.013 1.00 0.00 H new ATOM 0 HB2 LYS A 12 15.081 6.070 -6.168 1.00 0.00 H new ATOM 0 HB3 LYS A 12 13.868 5.207 -5.243 1.00 0.00 H new ATOM 0 HG2 LYS A 12 13.297 7.098 -4.125 1.00 0.00 H new ATOM 0 HG3 LYS A 12 14.950 7.348 -3.598 1.00 0.00 H new ATOM 0 HD2 LYS A 12 15.529 8.441 -5.729 1.00 0.00 H new ATOM 0 HD3 LYS A 12 13.959 8.051 -6.404 1.00 0.00 H new ATOM 0 HE2 LYS A 12 13.778 10.322 -5.800 1.00 0.00 H new ATOM 0 HE3 LYS A 12 12.945 9.472 -4.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 14.399 11.159 -3.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 14.933 9.622 -3.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 15.741 10.446 -4.408 1.00 0.00 H new ATOM 206 N LEU A 13 14.621 3.174 -3.548 1.00 0.00 N ATOM 207 CA LEU A 13 14.057 2.274 -2.553 1.00 0.00 C ATOM 208 C LEU A 13 15.130 1.692 -1.633 1.00 0.00 C ATOM 209 O LEU A 13 14.905 1.567 -0.427 1.00 0.00 O ATOM 210 CB LEU A 13 13.326 1.136 -3.263 1.00 0.00 C ATOM 211 CG LEU A 13 12.072 1.559 -4.050 1.00 0.00 C ATOM 212 CD1 LEU A 13 11.669 0.399 -4.958 1.00 0.00 C ATOM 213 CD2 LEU A 13 10.904 1.927 -3.132 1.00 0.00 C ATOM 0 H LEU A 13 14.420 2.892 -4.507 1.00 0.00 H new ATOM 0 HA LEU A 13 13.366 2.848 -1.935 1.00 0.00 H new ATOM 0 HB2 LEU A 13 14.020 0.650 -3.949 1.00 0.00 H new ATOM 0 HB3 LEU A 13 13.037 0.391 -2.521 1.00 0.00 H new ATOM 0 HG LEU A 13 12.311 2.450 -4.630 1.00 0.00 H new ATOM 0 HD11 LEU A 13 10.781 0.674 -5.527 1.00 0.00 H new ATOM 0 HD12 LEU A 13 12.485 0.174 -5.645 1.00 0.00 H new ATOM 0 HD13 LEU A 13 11.453 -0.480 -4.351 1.00 0.00 H new ATOM 0 HD21 LEU A 13 10.044 2.218 -3.736 1.00 0.00 H new ATOM 0 HD22 LEU A 13 10.640 1.067 -2.516 1.00 0.00 H new ATOM 0 HD23 LEU A 13 11.194 2.758 -2.489 1.00 0.00 H new ATOM 225 N LYS A 14 16.295 1.309 -2.165 1.00 0.00 N ATOM 226 CA LYS A 14 17.394 0.877 -1.319 1.00 0.00 C ATOM 227 C LYS A 14 17.798 2.006 -0.368 1.00 0.00 C ATOM 228 O LYS A 14 17.876 1.753 0.834 1.00 0.00 O ATOM 229 CB LYS A 14 18.562 0.337 -2.156 1.00 0.00 C ATOM 230 CG LYS A 14 18.619 -1.198 -2.146 1.00 0.00 C ATOM 231 CD LYS A 14 17.576 -1.885 -3.034 1.00 0.00 C ATOM 232 CE LYS A 14 17.912 -3.359 -3.323 1.00 0.00 C ATOM 233 NZ LYS A 14 18.062 -4.196 -2.111 1.00 0.00 N ATOM 0 H LYS A 14 16.493 1.292 -3.165 1.00 0.00 H new ATOM 0 HA LYS A 14 17.066 0.042 -0.700 1.00 0.00 H new ATOM 0 HB2 LYS A 14 18.465 0.689 -3.183 1.00 0.00 H new ATOM 0 HB3 LYS A 14 19.500 0.737 -1.770 1.00 0.00 H new ATOM 0 HG2 LYS A 14 19.612 -1.513 -2.466 1.00 0.00 H new ATOM 0 HG3 LYS A 14 18.489 -1.546 -1.121 1.00 0.00 H new ATOM 0 HD2 LYS A 14 16.601 -1.828 -2.551 1.00 0.00 H new ATOM 0 HD3 LYS A 14 17.496 -1.344 -3.977 1.00 0.00 H new ATOM 0 HE2 LYS A 14 17.127 -3.783 -3.949 1.00 0.00 H new ATOM 0 HE3 LYS A 14 18.837 -3.403 -3.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 18.287 -5.172 -2.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 18.831 -3.818 -1.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 17.174 -4.186 -1.570 1.00 0.00 H new ATOM 247 N GLU A 15 17.963 3.241 -0.856 1.00 0.00 N ATOM 248 CA GLU A 15 18.392 4.367 -0.007 1.00 0.00 C ATOM 249 C GLU A 15 17.391 4.578 1.130 1.00 0.00 C ATOM 250 O GLU A 15 17.774 4.680 2.304 1.00 0.00 O ATOM 251 CB GLU A 15 18.547 5.697 -0.770 1.00 0.00 C ATOM 252 CG GLU A 15 19.369 5.620 -2.059 1.00 0.00 C ATOM 253 CD GLU A 15 20.153 6.910 -2.334 1.00 0.00 C ATOM 254 OE1 GLU A 15 19.540 8.006 -2.308 1.00 0.00 O ATOM 255 OE2 GLU A 15 21.383 6.829 -2.577 1.00 0.00 O ATOM 0 H GLU A 15 17.807 3.489 -1.833 1.00 0.00 H new ATOM 0 HA GLU A 15 19.375 4.091 0.374 1.00 0.00 H new ATOM 0 HB2 GLU A 15 17.554 6.075 -1.014 1.00 0.00 H new ATOM 0 HB3 GLU A 15 19.011 6.426 -0.106 1.00 0.00 H new ATOM 0 HG2 GLU A 15 20.064 4.783 -1.993 1.00 0.00 H new ATOM 0 HG3 GLU A 15 18.704 5.417 -2.898 1.00 0.00 H new ATOM 262 N LEU A 16 16.099 4.562 0.776 1.00 0.00 N ATOM 263 CA LEU A 16 14.951 4.721 1.665 1.00 0.00 C ATOM 264 C LEU A 16 14.920 3.686 2.797 1.00 0.00 C ATOM 265 O LEU A 16 14.196 3.886 3.770 1.00 0.00 O ATOM 266 CB LEU A 16 13.640 4.650 0.856 1.00 0.00 C ATOM 267 CG LEU A 16 13.332 5.843 -0.072 1.00 0.00 C ATOM 268 CD1 LEU A 16 11.993 5.614 -0.783 1.00 0.00 C ATOM 269 CD2 LEU A 16 13.283 7.180 0.663 1.00 0.00 C ATOM 0 H LEU A 16 15.816 4.430 -0.195 1.00 0.00 H new ATOM 0 HA LEU A 16 15.051 5.701 2.132 1.00 0.00 H new ATOM 0 HB2 LEU A 16 13.663 3.745 0.250 1.00 0.00 H new ATOM 0 HB3 LEU A 16 12.813 4.543 1.558 1.00 0.00 H new ATOM 0 HG LEU A 16 14.150 5.897 -0.790 1.00 0.00 H new ATOM 0 HD11 LEU A 16 11.779 6.459 -1.437 1.00 0.00 H new ATOM 0 HD12 LEU A 16 12.047 4.701 -1.376 1.00 0.00 H new ATOM 0 HD13 LEU A 16 11.199 5.519 -0.042 1.00 0.00 H new ATOM 0 HD21 LEU A 16 13.062 7.977 -0.047 1.00 0.00 H new ATOM 0 HD22 LEU A 16 12.505 7.148 1.426 1.00 0.00 H new ATOM 0 HD23 LEU A 16 14.247 7.371 1.135 1.00 0.00 H new ATOM 281 N SER A 17 15.748 2.639 2.727 1.00 0.00 N ATOM 282 CA SER A 17 16.034 1.698 3.807 1.00 0.00 C ATOM 283 C SER A 17 14.791 0.902 4.213 1.00 0.00 C ATOM 284 O SER A 17 14.572 0.626 5.390 1.00 0.00 O ATOM 285 CB SER A 17 16.713 2.428 4.972 1.00 0.00 C ATOM 286 OG SER A 17 17.882 3.095 4.510 1.00 0.00 O ATOM 0 H SER A 17 16.260 2.417 1.873 1.00 0.00 H new ATOM 0 HA SER A 17 16.740 0.948 3.450 1.00 0.00 H new ATOM 0 HB2 SER A 17 16.023 3.148 5.413 1.00 0.00 H new ATOM 0 HB3 SER A 17 16.975 1.717 5.755 1.00 0.00 H new ATOM 0 HG SER A 17 17.637 3.739 3.813 1.00 0.00 H new ATOM 292 N VAL A 18 14.001 0.507 3.217 1.00 0.00 N ATOM 293 CA VAL A 18 12.756 -0.237 3.336 1.00 0.00 C ATOM 294 C VAL A 18 12.956 -1.578 4.059 1.00 0.00 C ATOM 295 O VAL A 18 12.051 -2.053 4.734 1.00 0.00 O ATOM 296 CB VAL A 18 12.135 -0.375 1.931 1.00 0.00 C ATOM 297 CG1 VAL A 18 10.743 -0.998 1.967 1.00 0.00 C ATOM 298 CG2 VAL A 18 11.999 0.988 1.234 1.00 0.00 C ATOM 0 H VAL A 18 14.231 0.713 2.245 1.00 0.00 H new ATOM 0 HA VAL A 18 12.052 0.307 3.966 1.00 0.00 H new ATOM 0 HB VAL A 18 12.818 -1.023 1.382 1.00 0.00 H new ATOM 0 HG11 VAL A 18 10.351 -1.072 0.953 1.00 0.00 H new ATOM 0 HG12 VAL A 18 10.801 -1.993 2.407 1.00 0.00 H new ATOM 0 HG13 VAL A 18 10.081 -0.374 2.567 1.00 0.00 H new ATOM 0 HG21 VAL A 18 11.558 0.849 0.247 1.00 0.00 H new ATOM 0 HG22 VAL A 18 11.359 1.639 1.830 1.00 0.00 H new ATOM 0 HG23 VAL A 18 12.984 1.444 1.130 1.00 0.00 H new ATOM 308 N GLU A 19 14.148 -2.175 4.015 1.00 0.00 N ATOM 309 CA GLU A 19 14.468 -3.351 4.830 1.00 0.00 C ATOM 310 C GLU A 19 14.387 -3.087 6.344 1.00 0.00 C ATOM 311 O GLU A 19 14.256 -4.039 7.117 1.00 0.00 O ATOM 312 CB GLU A 19 15.862 -3.897 4.478 1.00 0.00 C ATOM 313 CG GLU A 19 16.913 -2.784 4.461 1.00 0.00 C ATOM 314 CD GLU A 19 18.358 -3.275 4.407 1.00 0.00 C ATOM 315 OE1 GLU A 19 18.626 -4.498 4.467 1.00 0.00 O ATOM 316 OE2 GLU A 19 19.221 -2.377 4.286 1.00 0.00 O ATOM 0 H GLU A 19 14.914 -1.861 3.419 1.00 0.00 H new ATOM 0 HA GLU A 19 13.706 -4.093 4.591 1.00 0.00 H new ATOM 0 HB2 GLU A 19 16.149 -4.659 5.203 1.00 0.00 H new ATOM 0 HB3 GLU A 19 15.828 -4.382 3.502 1.00 0.00 H new ATOM 0 HG2 GLU A 19 16.729 -2.142 3.600 1.00 0.00 H new ATOM 0 HG3 GLU A 19 16.785 -2.168 5.351 1.00 0.00 H new ATOM 323 N LYS A 20 14.464 -1.827 6.782 1.00 0.00 N ATOM 324 CA LYS A 20 14.341 -1.412 8.179 1.00 0.00 C ATOM 325 C LYS A 20 12.923 -0.924 8.481 1.00 0.00 C ATOM 326 O LYS A 20 12.694 -0.375 9.560 1.00 0.00 O ATOM 327 CB LYS A 20 15.363 -0.305 8.509 1.00 0.00 C ATOM 328 CG LYS A 20 16.793 -0.604 8.038 1.00 0.00 C ATOM 329 CD LYS A 20 17.878 -0.130 9.017 1.00 0.00 C ATOM 330 CE LYS A 20 17.822 1.370 9.352 1.00 0.00 C ATOM 331 NZ LYS A 20 19.027 1.801 10.095 1.00 0.00 N ATOM 0 H LYS A 20 14.619 -1.042 6.150 1.00 0.00 H new ATOM 0 HA LYS A 20 14.549 -2.279 8.805 1.00 0.00 H new ATOM 0 HB2 LYS A 20 15.031 0.628 8.053 1.00 0.00 H new ATOM 0 HB3 LYS A 20 15.374 -0.147 9.587 1.00 0.00 H new ATOM 0 HG2 LYS A 20 16.898 -1.678 7.885 1.00 0.00 H new ATOM 0 HG3 LYS A 20 16.955 -0.127 7.071 1.00 0.00 H new ATOM 0 HD2 LYS A 20 17.789 -0.700 9.942 1.00 0.00 H new ATOM 0 HD3 LYS A 20 18.856 -0.359 8.594 1.00 0.00 H new ATOM 0 HE2 LYS A 20 17.734 1.947 8.432 1.00 0.00 H new ATOM 0 HE3 LYS A 20 16.932 1.579 9.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 18.960 2.817 10.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 19.096 1.266 10.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 19.873 1.623 9.517 1.00 0.00 H new ATOM 345 N TRP A 21 11.997 -1.009 7.527 1.00 0.00 N ATOM 346 CA TRP A 21 10.613 -0.619 7.741 1.00 0.00 C ATOM 347 C TRP A 21 9.864 -1.838 8.298 1.00 0.00 C ATOM 348 O TRP A 21 10.324 -2.971 8.123 1.00 0.00 O ATOM 349 CB TRP A 21 10.003 -0.133 6.420 1.00 0.00 C ATOM 350 CG TRP A 21 10.564 1.131 5.833 1.00 0.00 C ATOM 351 CD1 TRP A 21 11.734 1.728 6.165 1.00 0.00 C ATOM 352 CD2 TRP A 21 9.996 1.956 4.768 1.00 0.00 C ATOM 353 NE1 TRP A 21 11.927 2.840 5.384 1.00 0.00 N ATOM 354 CE2 TRP A 21 10.895 3.027 4.495 1.00 0.00 C ATOM 355 CE3 TRP A 21 8.814 1.902 3.999 1.00 0.00 C ATOM 356 CZ2 TRP A 21 10.642 3.986 3.506 1.00 0.00 C ATOM 357 CZ3 TRP A 21 8.520 2.891 3.041 1.00 0.00 C ATOM 358 CH2 TRP A 21 9.430 3.937 2.798 1.00 0.00 C ATOM 0 H TRP A 21 12.190 -1.351 6.586 1.00 0.00 H new ATOM 0 HA TRP A 21 10.540 0.203 8.453 1.00 0.00 H new ATOM 0 HB2 TRP A 21 10.115 -0.928 5.683 1.00 0.00 H new ATOM 0 HB3 TRP A 21 8.933 0.011 6.573 1.00 0.00 H new ATOM 0 HD1 TRP A 21 12.413 1.381 6.930 1.00 0.00 H new ATOM 0 HE1 TRP A 21 12.739 3.454 5.455 1.00 0.00 H new ATOM 0 HE3 TRP A 21 8.122 1.087 4.148 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 11.370 4.754 3.290 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 7.592 2.847 2.490 1.00 0.00 H new ATOM 0 HH2 TRP A 21 9.197 4.699 2.069 1.00 0.00 H new ATOM 369 N PRO A 22 8.705 -1.656 8.944 1.00 0.00 N ATOM 370 CA PRO A 22 7.918 -2.770 9.454 1.00 0.00 C ATOM 371 C PRO A 22 7.288 -3.607 8.328 1.00 0.00 C ATOM 372 O PRO A 22 6.705 -3.078 7.373 1.00 0.00 O ATOM 373 CB PRO A 22 6.881 -2.120 10.371 1.00 0.00 C ATOM 374 CG PRO A 22 6.712 -0.710 9.813 1.00 0.00 C ATOM 375 CD PRO A 22 8.137 -0.387 9.377 1.00 0.00 C ATOM 0 HA PRO A 22 8.530 -3.492 9.994 1.00 0.00 H new ATOM 0 HB2 PRO A 22 5.939 -2.668 10.357 1.00 0.00 H new ATOM 0 HB3 PRO A 22 7.223 -2.100 11.406 1.00 0.00 H new ATOM 0 HG2 PRO A 22 6.010 -0.679 8.979 1.00 0.00 H new ATOM 0 HG3 PRO A 22 6.344 -0.012 10.565 1.00 0.00 H new ATOM 0 HD2 PRO A 22 8.144 0.343 8.568 1.00 0.00 H new ATOM 0 HD3 PRO A 22 8.712 0.041 10.198 1.00 0.00 H new ATOM 383 N ILE A 23 7.405 -4.933 8.443 1.00 0.00 N ATOM 384 CA ILE A 23 6.651 -5.901 7.652 1.00 0.00 C ATOM 385 C ILE A 23 5.200 -5.940 8.132 1.00 0.00 C ATOM 386 O ILE A 23 4.914 -5.809 9.324 1.00 0.00 O ATOM 387 CB ILE A 23 7.352 -7.289 7.703 1.00 0.00 C ATOM 388 CG1 ILE A 23 8.595 -7.246 6.778 1.00 0.00 C ATOM 389 CG2 ILE A 23 6.446 -8.492 7.345 1.00 0.00 C ATOM 390 CD1 ILE A 23 9.438 -8.520 6.767 1.00 0.00 C ATOM 0 H ILE A 23 8.044 -5.371 9.107 1.00 0.00 H new ATOM 0 HA ILE A 23 6.630 -5.601 6.604 1.00 0.00 H new ATOM 0 HB ILE A 23 7.634 -7.461 8.742 1.00 0.00 H new ATOM 0 HG12 ILE A 23 8.264 -7.039 5.760 1.00 0.00 H new ATOM 0 HG13 ILE A 23 9.228 -6.413 7.084 1.00 0.00 H new ATOM 0 HG21 ILE A 23 7.024 -9.414 7.409 1.00 0.00 H new ATOM 0 HG22 ILE A 23 5.610 -8.538 8.043 1.00 0.00 H new ATOM 0 HG23 ILE A 23 6.065 -8.372 6.331 1.00 0.00 H new ATOM 0 HD11 ILE A 23 10.283 -8.391 6.091 1.00 0.00 H new ATOM 0 HD12 ILE A 23 9.806 -8.722 7.773 1.00 0.00 H new ATOM 0 HD13 ILE A 23 8.827 -9.357 6.429 1.00 0.00 H new ATOM 402 N TRP A 24 4.290 -6.200 7.194 1.00 0.00 N ATOM 403 CA TRP A 24 2.897 -6.516 7.443 1.00 0.00 C ATOM 404 C TRP A 24 2.455 -7.543 6.400 1.00 0.00 C ATOM 405 O TRP A 24 2.542 -7.262 5.201 1.00 0.00 O ATOM 406 CB TRP A 24 2.091 -5.222 7.384 1.00 0.00 C ATOM 407 CG TRP A 24 0.625 -5.318 7.659 1.00 0.00 C ATOM 408 CD1 TRP A 24 0.043 -5.025 8.840 1.00 0.00 C ATOM 409 CD2 TRP A 24 -0.469 -5.600 6.737 1.00 0.00 C ATOM 410 NE1 TRP A 24 -1.328 -5.061 8.698 1.00 0.00 N ATOM 411 CE2 TRP A 24 -1.698 -5.315 7.399 1.00 0.00 C ATOM 412 CE3 TRP A 24 -0.551 -5.984 5.384 1.00 0.00 C ATOM 413 CZ2 TRP A 24 -2.929 -5.297 6.726 1.00 0.00 C ATOM 414 CZ3 TRP A 24 -1.776 -5.972 4.700 1.00 0.00 C ATOM 415 CH2 TRP A 24 -2.956 -5.600 5.357 1.00 0.00 C ATOM 0 H TRP A 24 4.520 -6.194 6.200 1.00 0.00 H new ATOM 0 HA TRP A 24 2.739 -6.952 8.429 1.00 0.00 H new ATOM 0 HB2 TRP A 24 2.524 -4.522 8.098 1.00 0.00 H new ATOM 0 HB3 TRP A 24 2.221 -4.788 6.393 1.00 0.00 H new ATOM 0 HD1 TRP A 24 0.569 -4.797 9.755 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -1.987 -4.917 9.463 1.00 0.00 H new ATOM 0 HE3 TRP A 24 0.344 -6.293 4.865 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -3.840 -5.054 7.253 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -1.810 -6.252 3.657 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -3.886 -5.547 4.810 1.00 0.00 H new ATOM 426 N GLU A 25 2.009 -8.715 6.860 1.00 0.00 N ATOM 427 CA GLU A 25 1.254 -9.709 6.087 1.00 0.00 C ATOM 428 C GLU A 25 -0.251 -9.554 6.368 1.00 0.00 C ATOM 429 O GLU A 25 -0.622 -8.854 7.316 1.00 0.00 O ATOM 430 CB GLU A 25 1.726 -11.150 6.385 1.00 0.00 C ATOM 431 CG GLU A 25 2.173 -11.457 7.826 1.00 0.00 C ATOM 432 CD GLU A 25 1.767 -12.874 8.268 1.00 0.00 C ATOM 433 OE1 GLU A 25 0.618 -13.038 8.745 1.00 0.00 O ATOM 434 OE2 GLU A 25 2.555 -13.838 8.113 1.00 0.00 O ATOM 0 H GLU A 25 2.170 -9.011 7.823 1.00 0.00 H new ATOM 0 HA GLU A 25 1.440 -9.527 5.028 1.00 0.00 H new ATOM 0 HB2 GLU A 25 0.914 -11.831 6.130 1.00 0.00 H new ATOM 0 HB3 GLU A 25 2.556 -11.379 5.717 1.00 0.00 H new ATOM 0 HG2 GLU A 25 3.255 -11.351 7.900 1.00 0.00 H new ATOM 0 HG3 GLU A 25 1.734 -10.726 8.505 1.00 0.00 H new ATOM 441 N LYS A 26 -1.128 -10.209 5.587 1.00 0.00 N ATOM 442 CA LYS A 26 -2.552 -10.353 5.913 1.00 0.00 C ATOM 443 C LYS A 26 -3.124 -11.635 5.294 1.00 0.00 C ATOM 444 O LYS A 26 -2.536 -12.242 4.396 1.00 0.00 O ATOM 445 CB LYS A 26 -3.340 -9.110 5.451 1.00 0.00 C ATOM 446 CG LYS A 26 -4.179 -8.475 6.575 1.00 0.00 C ATOM 447 CD LYS A 26 -5.315 -9.354 7.113 1.00 0.00 C ATOM 448 CE LYS A 26 -6.118 -8.583 8.159 1.00 0.00 C ATOM 449 NZ LYS A 26 -7.177 -9.409 8.779 1.00 0.00 N ATOM 0 H LYS A 26 -0.864 -10.654 4.708 1.00 0.00 H new ATOM 0 HA LYS A 26 -2.653 -10.433 6.995 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -2.642 -8.368 5.063 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -3.998 -9.389 4.628 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -3.516 -8.218 7.401 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -4.605 -7.542 6.207 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -5.967 -9.662 6.295 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -4.906 -10.263 7.554 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -5.444 -8.219 8.935 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -6.570 -7.707 7.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -7.693 -8.842 9.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -7.837 -9.736 8.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -6.746 -10.231 9.248 1.00 0.00 H new ATOM 463 N GLU A 27 -4.310 -12.017 5.763 1.00 0.00 N ATOM 464 CA GLU A 27 -5.115 -13.129 5.272 1.00 0.00 C ATOM 465 C GLU A 27 -5.798 -12.719 3.979 1.00 0.00 C ATOM 466 O GLU A 27 -5.805 -11.550 3.596 1.00 0.00 O ATOM 467 CB GLU A 27 -6.164 -13.505 6.302 1.00 0.00 C ATOM 468 CG GLU A 27 -5.760 -14.750 7.089 1.00 0.00 C ATOM 469 CD GLU A 27 -4.407 -14.489 7.778 1.00 0.00 C ATOM 470 OE1 GLU A 27 -4.333 -13.608 8.671 1.00 0.00 O ATOM 471 OE2 GLU A 27 -3.397 -15.101 7.353 1.00 0.00 O ATOM 0 H GLU A 27 -4.758 -11.530 6.539 1.00 0.00 H new ATOM 0 HA GLU A 27 -4.470 -13.989 5.092 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -6.314 -12.673 6.989 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -7.117 -13.683 5.803 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -6.521 -14.990 7.832 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -5.684 -15.609 6.422 1.00 0.00 H new ATOM 478 N VAL A 28 -6.437 -13.692 3.353 1.00 0.00 N ATOM 479 CA VAL A 28 -6.890 -13.627 1.972 1.00 0.00 C ATOM 480 C VAL A 28 -8.387 -13.305 1.998 1.00 0.00 C ATOM 481 O VAL A 28 -9.232 -14.084 1.551 1.00 0.00 O ATOM 482 CB VAL A 28 -6.485 -14.930 1.243 1.00 0.00 C ATOM 483 CG1 VAL A 28 -6.547 -14.732 -0.278 1.00 0.00 C ATOM 484 CG2 VAL A 28 -5.049 -15.359 1.598 1.00 0.00 C ATOM 0 H VAL A 28 -6.663 -14.578 3.805 1.00 0.00 H new ATOM 0 HA VAL A 28 -6.417 -12.835 1.392 1.00 0.00 H new ATOM 0 HB VAL A 28 -7.186 -15.700 1.565 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -6.259 -15.657 -0.777 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -7.563 -14.463 -0.569 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -5.863 -13.935 -0.569 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -4.802 -16.278 1.066 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -4.352 -14.573 1.307 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -4.975 -15.530 2.672 1.00 0.00 H new ATOM 494 N SER A 29 -8.703 -12.160 2.600 1.00 0.00 N ATOM 495 CA SER A 29 -10.039 -11.741 2.985 1.00 0.00 C ATOM 496 C SER A 29 -10.277 -10.298 2.516 1.00 0.00 C ATOM 497 O SER A 29 -9.408 -9.676 1.900 1.00 0.00 O ATOM 498 CB SER A 29 -10.151 -11.894 4.513 1.00 0.00 C ATOM 499 OG SER A 29 -11.510 -11.969 4.900 1.00 0.00 O ATOM 0 H SER A 29 -7.994 -11.468 2.842 1.00 0.00 H new ATOM 0 HA SER A 29 -10.809 -12.354 2.516 1.00 0.00 H new ATOM 0 HB2 SER A 29 -9.624 -12.792 4.835 1.00 0.00 H new ATOM 0 HB3 SER A 29 -9.671 -11.049 5.006 1.00 0.00 H new ATOM 0 HG SER A 29 -11.568 -12.068 5.873 1.00 0.00 H new ATOM 505 N GLU A 30 -11.448 -9.740 2.819 1.00 0.00 N ATOM 506 CA GLU A 30 -11.774 -8.343 2.561 1.00 0.00 C ATOM 507 C GLU A 30 -12.164 -7.673 3.870 1.00 0.00 C ATOM 508 O GLU A 30 -12.697 -8.326 4.772 1.00 0.00 O ATOM 509 CB GLU A 30 -12.852 -8.238 1.473 1.00 0.00 C ATOM 510 CG GLU A 30 -14.279 -8.589 1.914 1.00 0.00 C ATOM 511 CD GLU A 30 -15.237 -8.638 0.722 1.00 0.00 C ATOM 512 OE1 GLU A 30 -15.370 -7.608 0.013 1.00 0.00 O ATOM 513 OE2 GLU A 30 -15.889 -9.676 0.492 1.00 0.00 O ATOM 0 H GLU A 30 -12.209 -10.258 3.259 1.00 0.00 H new ATOM 0 HA GLU A 30 -10.905 -7.811 2.172 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -12.852 -7.220 1.084 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -12.575 -8.894 0.648 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -14.277 -9.554 2.421 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -14.630 -7.851 2.635 1.00 0.00 H new ATOM 520 N PHE A 31 -11.912 -6.373 3.966 1.00 0.00 N ATOM 521 CA PHE A 31 -12.143 -5.544 5.139 1.00 0.00 C ATOM 522 C PHE A 31 -12.110 -4.086 4.671 1.00 0.00 C ATOM 523 O PHE A 31 -12.260 -3.796 3.476 1.00 0.00 O ATOM 524 CB PHE A 31 -11.126 -5.876 6.254 1.00 0.00 C ATOM 525 CG PHE A 31 -9.662 -5.951 5.864 1.00 0.00 C ATOM 526 CD1 PHE A 31 -8.898 -4.776 5.730 1.00 0.00 C ATOM 527 CD2 PHE A 31 -9.048 -7.209 5.697 1.00 0.00 C ATOM 528 CE1 PHE A 31 -7.539 -4.851 5.386 1.00 0.00 C ATOM 529 CE2 PHE A 31 -7.682 -7.288 5.380 1.00 0.00 C ATOM 530 CZ PHE A 31 -6.940 -6.108 5.196 1.00 0.00 C ATOM 0 H PHE A 31 -11.521 -5.843 3.187 1.00 0.00 H new ATOM 0 HA PHE A 31 -13.115 -5.738 5.592 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -11.228 -5.125 7.037 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -11.407 -6.834 6.692 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -9.359 -3.813 5.893 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -9.628 -8.112 5.813 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -6.958 -3.949 5.268 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -7.204 -8.251 5.278 1.00 0.00 H new ATOM 0 HZ PHE A 31 -5.901 -6.168 4.906 1.00 0.00 H new ATOM 540 N ASP A 32 -11.989 -3.138 5.592 1.00 0.00 N ATOM 541 CA ASP A 32 -11.807 -1.731 5.284 1.00 0.00 C ATOM 542 C ASP A 32 -10.650 -1.190 6.097 1.00 0.00 C ATOM 543 O ASP A 32 -10.285 -1.750 7.136 1.00 0.00 O ATOM 544 CB ASP A 32 -13.100 -0.935 5.506 1.00 0.00 C ATOM 545 CG ASP A 32 -13.671 -1.021 6.918 1.00 0.00 C ATOM 546 OD1 ASP A 32 -13.116 -0.392 7.847 1.00 0.00 O ATOM 547 OD2 ASP A 32 -14.726 -1.683 7.059 1.00 0.00 O ATOM 0 H ASP A 32 -12.016 -3.333 6.593 1.00 0.00 H new ATOM 0 HA ASP A 32 -11.566 -1.621 4.227 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -12.910 0.112 5.269 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -13.853 -1.290 4.803 1.00 0.00 H new ATOM 552 N TRP A 33 -10.021 -0.132 5.594 1.00 0.00 N ATOM 553 CA TRP A 33 -8.910 0.515 6.274 1.00 0.00 C ATOM 554 C TRP A 33 -8.964 2.028 6.046 1.00 0.00 C ATOM 555 O TRP A 33 -9.491 2.502 5.030 1.00 0.00 O ATOM 556 CB TRP A 33 -7.610 -0.131 5.782 1.00 0.00 C ATOM 557 CG TRP A 33 -6.383 0.212 6.555 1.00 0.00 C ATOM 558 CD1 TRP A 33 -5.517 1.193 6.236 1.00 0.00 C ATOM 559 CD2 TRP A 33 -5.896 -0.351 7.809 1.00 0.00 C ATOM 560 NE1 TRP A 33 -4.473 1.211 7.137 1.00 0.00 N ATOM 561 CE2 TRP A 33 -4.652 0.270 8.125 1.00 0.00 C ATOM 562 CE3 TRP A 33 -6.389 -1.310 8.721 1.00 0.00 C ATOM 563 CZ2 TRP A 33 -3.902 -0.095 9.248 1.00 0.00 C ATOM 564 CZ3 TRP A 33 -5.686 -1.628 9.897 1.00 0.00 C ATOM 565 CH2 TRP A 33 -4.442 -1.023 10.153 1.00 0.00 C ATOM 0 H TRP A 33 -10.269 0.299 4.703 1.00 0.00 H new ATOM 0 HA TRP A 33 -8.966 0.375 7.353 1.00 0.00 H new ATOM 0 HB2 TRP A 33 -7.736 -1.214 5.798 1.00 0.00 H new ATOM 0 HB3 TRP A 33 -7.454 0.157 4.742 1.00 0.00 H new ATOM 0 HD1 TRP A 33 -5.624 1.866 5.398 1.00 0.00 H new ATOM 0 HE1 TRP A 33 -3.672 1.840 7.079 1.00 0.00 H new ATOM 0 HE3 TRP A 33 -7.324 -1.809 8.511 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 -2.924 0.330 9.416 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 -6.100 -2.334 10.601 1.00 0.00 H new ATOM 0 HH2 TRP A 33 -3.898 -1.274 11.052 1.00 0.00 H new ATOM 576 N TYR A 34 -8.424 2.784 6.999 1.00 0.00 N ATOM 577 CA TYR A 34 -8.419 4.236 6.995 1.00 0.00 C ATOM 578 C TYR A 34 -6.978 4.716 7.133 1.00 0.00 C ATOM 579 O TYR A 34 -6.150 4.050 7.758 1.00 0.00 O ATOM 580 CB TYR A 34 -9.315 4.757 8.132 1.00 0.00 C ATOM 581 CG TYR A 34 -9.701 6.223 8.022 1.00 0.00 C ATOM 582 CD1 TYR A 34 -8.816 7.233 8.444 1.00 0.00 C ATOM 583 CD2 TYR A 34 -10.986 6.578 7.571 1.00 0.00 C ATOM 584 CE1 TYR A 34 -9.174 8.589 8.336 1.00 0.00 C ATOM 585 CE2 TYR A 34 -11.368 7.931 7.499 1.00 0.00 C ATOM 586 CZ TYR A 34 -10.454 8.944 7.858 1.00 0.00 C ATOM 587 OH TYR A 34 -10.812 10.251 7.763 1.00 0.00 O ATOM 0 H TYR A 34 -7.965 2.386 7.818 1.00 0.00 H new ATOM 0 HA TYR A 34 -8.822 4.625 6.060 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -10.225 4.158 8.161 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -8.801 4.602 9.080 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -7.854 6.964 8.854 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -11.684 5.807 7.278 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -8.470 9.358 8.619 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -12.362 8.194 7.169 1.00 0.00 H new ATOM 0 HH TYR A 34 -11.726 10.315 7.415 1.00 0.00 H new ATOM 597 N TYR A 35 -6.683 5.907 6.622 1.00 0.00 N ATOM 598 CA TYR A 35 -5.391 6.565 6.734 1.00 0.00 C ATOM 599 C TYR A 35 -5.620 7.921 7.376 1.00 0.00 C ATOM 600 O TYR A 35 -6.139 8.821 6.722 1.00 0.00 O ATOM 601 CB TYR A 35 -4.726 6.682 5.361 1.00 0.00 C ATOM 602 CG TYR A 35 -4.480 5.332 4.734 1.00 0.00 C ATOM 603 CD1 TYR A 35 -3.356 4.580 5.117 1.00 0.00 C ATOM 604 CD2 TYR A 35 -5.420 4.794 3.838 1.00 0.00 C ATOM 605 CE1 TYR A 35 -3.169 3.291 4.607 1.00 0.00 C ATOM 606 CE2 TYR A 35 -5.224 3.514 3.295 1.00 0.00 C ATOM 607 CZ TYR A 35 -4.094 2.763 3.685 1.00 0.00 C ATOM 608 OH TYR A 35 -3.943 1.491 3.250 1.00 0.00 O ATOM 0 H TYR A 35 -7.364 6.459 6.100 1.00 0.00 H new ATOM 0 HA TYR A 35 -4.710 5.982 7.355 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -5.358 7.278 4.702 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -3.779 7.213 5.461 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -2.636 4.998 5.805 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -6.295 5.366 3.567 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -2.319 2.703 4.919 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -5.931 3.108 2.586 1.00 0.00 H new ATOM 0 HH TYR A 35 -3.344 1.479 2.475 1.00 0.00 H new ATOM 618 N ASP A 36 -5.288 8.056 8.657 1.00 0.00 N ATOM 619 CA ASP A 36 -5.370 9.300 9.424 1.00 0.00 C ATOM 620 C ASP A 36 -3.975 9.905 9.636 1.00 0.00 C ATOM 621 O ASP A 36 -3.811 10.789 10.477 1.00 0.00 O ATOM 622 CB ASP A 36 -6.117 9.057 10.747 1.00 0.00 C ATOM 623 CG ASP A 36 -6.522 10.358 11.451 1.00 0.00 C ATOM 624 OD1 ASP A 36 -6.953 11.327 10.786 1.00 0.00 O ATOM 625 OD2 ASP A 36 -6.467 10.425 12.703 1.00 0.00 O ATOM 0 H ASP A 36 -4.941 7.274 9.212 1.00 0.00 H new ATOM 0 HA ASP A 36 -5.943 10.034 8.857 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -7.010 8.463 10.551 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -5.484 8.471 11.413 1.00 0.00 H new ATOM 630 N THR A 37 -2.967 9.416 8.900 1.00 0.00 N ATOM 631 CA THR A 37 -1.629 9.973 8.654 1.00 0.00 C ATOM 632 C THR A 37 -1.143 9.491 7.285 1.00 0.00 C ATOM 633 O THR A 37 -1.804 8.658 6.660 1.00 0.00 O ATOM 634 CB THR A 37 -0.644 9.678 9.803 1.00 0.00 C ATOM 635 OG1 THR A 37 -1.018 8.550 10.579 1.00 0.00 O ATOM 636 CG2 THR A 37 -0.545 10.922 10.688 1.00 0.00 C ATOM 0 H THR A 37 -3.081 8.528 8.411 1.00 0.00 H new ATOM 0 HA THR A 37 -1.686 11.061 8.632 1.00 0.00 H new ATOM 0 HB THR A 37 0.324 9.436 9.364 1.00 0.00 H new ATOM 0 HG1 THR A 37 -0.359 8.409 11.290 1.00 0.00 H new ATOM 0 HG21 THR A 37 0.148 10.731 11.507 1.00 0.00 H new ATOM 0 HG22 THR A 37 -0.184 11.762 10.095 1.00 0.00 H new ATOM 0 HG23 THR A 37 -1.529 11.160 11.093 1.00 0.00 H new ATOM 644 N ASN A 38 -0.030 10.038 6.796 1.00 0.00 N ATOM 645 CA ASN A 38 0.574 9.627 5.538 1.00 0.00 C ATOM 646 C ASN A 38 1.112 8.226 5.776 1.00 0.00 C ATOM 647 O ASN A 38 1.722 7.962 6.816 1.00 0.00 O ATOM 648 CB ASN A 38 1.713 10.574 5.136 1.00 0.00 C ATOM 649 CG ASN A 38 1.321 12.039 5.230 1.00 0.00 C ATOM 650 OD1 ASN A 38 1.692 12.696 6.315 1.00 0.00 O flip ATOM 651 ND2 ASN A 38 0.666 12.596 4.347 1.00 0.00 N flip ATOM 0 H ASN A 38 0.479 10.785 7.269 1.00 0.00 H new ATOM 0 HA ASN A 38 -0.153 9.651 4.727 1.00 0.00 H new ATOM 0 HB2 ASN A 38 2.575 10.391 5.778 1.00 0.00 H new ATOM 0 HB3 ASN A 38 2.022 10.350 4.115 1.00 0.00 H new ATOM 0 HD21 ASN A 38 0.387 12.077 3.515 1.00 0.00 H new ATOM 0 HD22 ASN A 38 0.403 13.576 4.448 1.00 0.00 H new ATOM 658 N GLU A 39 0.901 7.323 4.830 1.00 0.00 N ATOM 659 CA GLU A 39 1.521 6.012 4.858 1.00 0.00 C ATOM 660 C GLU A 39 2.072 5.774 3.468 1.00 0.00 C ATOM 661 O GLU A 39 1.318 5.851 2.494 1.00 0.00 O ATOM 662 CB GLU A 39 0.535 4.917 5.298 1.00 0.00 C ATOM 663 CG GLU A 39 1.261 3.561 5.328 1.00 0.00 C ATOM 664 CD GLU A 39 0.355 2.411 5.750 1.00 0.00 C ATOM 665 OE1 GLU A 39 0.204 2.172 6.964 1.00 0.00 O ATOM 666 OE2 GLU A 39 -0.130 1.668 4.860 1.00 0.00 O ATOM 0 H GLU A 39 0.296 7.480 4.024 1.00 0.00 H new ATOM 0 HA GLU A 39 2.321 5.973 5.597 1.00 0.00 H new ATOM 0 HB2 GLU A 39 0.133 5.149 6.284 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -0.310 4.875 4.611 1.00 0.00 H new ATOM 0 HG2 GLU A 39 1.669 3.351 4.339 1.00 0.00 H new ATOM 0 HG3 GLU A 39 2.105 3.622 6.015 1.00 0.00 H new ATOM 673 N THR A 40 3.367 5.490 3.381 1.00 0.00 N ATOM 674 CA THR A 40 4.011 4.971 2.186 1.00 0.00 C ATOM 675 C THR A 40 4.134 3.469 2.408 1.00 0.00 C ATOM 676 O THR A 40 4.514 3.041 3.500 1.00 0.00 O ATOM 677 CB THR A 40 5.381 5.657 2.001 1.00 0.00 C ATOM 678 OG1 THR A 40 5.137 7.029 1.759 1.00 0.00 O ATOM 679 CG2 THR A 40 6.187 5.126 0.809 1.00 0.00 C ATOM 0 H THR A 40 4.012 5.619 4.161 1.00 0.00 H new ATOM 0 HA THR A 40 3.447 5.169 1.275 1.00 0.00 H new ATOM 0 HB THR A 40 5.963 5.462 2.902 1.00 0.00 H new ATOM 0 HG1 THR A 40 5.254 7.534 2.591 1.00 0.00 H new ATOM 0 HG21 THR A 40 7.136 5.658 0.746 1.00 0.00 H new ATOM 0 HG22 THR A 40 6.376 4.061 0.943 1.00 0.00 H new ATOM 0 HG23 THR A 40 5.622 5.282 -0.110 1.00 0.00 H new ATOM 687 N CYS A 41 3.859 2.659 1.389 1.00 0.00 N ATOM 688 CA CYS A 41 4.213 1.252 1.425 1.00 0.00 C ATOM 689 C CYS A 41 4.772 0.820 0.081 1.00 0.00 C ATOM 690 O CYS A 41 4.327 1.303 -0.965 1.00 0.00 O ATOM 691 CB CYS A 41 3.012 0.385 1.822 1.00 0.00 C ATOM 692 SG CYS A 41 1.619 0.650 0.688 1.00 0.00 S ATOM 0 H CYS A 41 3.393 2.957 0.532 1.00 0.00 H new ATOM 0 HA CYS A 41 4.982 1.112 2.185 1.00 0.00 H new ATOM 0 HB2 CYS A 41 3.299 -0.667 1.813 1.00 0.00 H new ATOM 0 HB3 CYS A 41 2.707 0.623 2.841 1.00 0.00 H new ATOM 0 HG CYS A 41 2.072 0.967 -0.489 1.00 0.00 H new ATOM 698 N TYR A 42 5.694 -0.135 0.132 1.00 0.00 N ATOM 699 CA TYR A 42 6.254 -0.844 -1.000 1.00 0.00 C ATOM 700 C TYR A 42 5.753 -2.282 -0.876 1.00 0.00 C ATOM 701 O TYR A 42 5.886 -2.871 0.199 1.00 0.00 O ATOM 702 CB TYR A 42 7.785 -0.751 -0.942 1.00 0.00 C ATOM 703 CG TYR A 42 8.471 -1.299 -2.177 1.00 0.00 C ATOM 704 CD1 TYR A 42 8.305 -0.646 -3.413 1.00 0.00 C ATOM 705 CD2 TYR A 42 9.248 -2.469 -2.107 1.00 0.00 C ATOM 706 CE1 TYR A 42 8.846 -1.183 -4.595 1.00 0.00 C ATOM 707 CE2 TYR A 42 9.859 -2.960 -3.274 1.00 0.00 C ATOM 708 CZ TYR A 42 9.638 -2.347 -4.525 1.00 0.00 C ATOM 709 OH TYR A 42 10.236 -2.865 -5.633 1.00 0.00 O ATOM 0 H TYR A 42 6.090 -0.449 1.018 1.00 0.00 H new ATOM 0 HA TYR A 42 5.952 -0.427 -1.961 1.00 0.00 H new ATOM 0 HB2 TYR A 42 8.073 0.292 -0.809 1.00 0.00 H new ATOM 0 HB3 TYR A 42 8.141 -1.294 -0.067 1.00 0.00 H new ATOM 0 HD1 TYR A 42 7.754 0.282 -3.454 1.00 0.00 H new ATOM 0 HD2 TYR A 42 9.374 -2.985 -1.167 1.00 0.00 H new ATOM 0 HE1 TYR A 42 8.657 -0.708 -5.546 1.00 0.00 H new ATOM 0 HE2 TYR A 42 10.508 -3.821 -3.212 1.00 0.00 H new ATOM 0 HH TYR A 42 10.741 -3.668 -5.387 1.00 0.00 H new ATOM 719 N ILE A 43 5.126 -2.807 -1.924 1.00 0.00 N ATOM 720 CA ILE A 43 4.443 -4.087 -2.049 1.00 0.00 C ATOM 721 C ILE A 43 5.436 -5.080 -2.654 1.00 0.00 C ATOM 722 O ILE A 43 5.951 -4.817 -3.738 1.00 0.00 O ATOM 723 CB ILE A 43 3.234 -3.912 -3.006 1.00 0.00 C ATOM 724 CG1 ILE A 43 2.355 -2.660 -2.762 1.00 0.00 C ATOM 725 CG2 ILE A 43 2.365 -5.178 -3.024 1.00 0.00 C ATOM 726 CD1 ILE A 43 1.835 -2.487 -1.335 1.00 0.00 C ATOM 0 H ILE A 43 5.080 -2.288 -2.801 1.00 0.00 H new ATOM 0 HA ILE A 43 4.089 -4.444 -1.082 1.00 0.00 H new ATOM 0 HB ILE A 43 3.688 -3.747 -3.983 1.00 0.00 H new ATOM 0 HG12 ILE A 43 2.932 -1.775 -3.029 1.00 0.00 H new ATOM 0 HG13 ILE A 43 1.501 -2.700 -3.439 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.524 -5.032 -3.701 1.00 0.00 H new ATOM 0 HG22 ILE A 43 2.962 -6.024 -3.364 1.00 0.00 H new ATOM 0 HG23 ILE A 43 1.992 -5.377 -2.020 1.00 0.00 H new ATOM 0 HD11 ILE A 43 1.232 -1.581 -1.275 1.00 0.00 H new ATOM 0 HD12 ILE A 43 1.224 -3.348 -1.063 1.00 0.00 H new ATOM 0 HD13 ILE A 43 2.677 -2.409 -0.648 1.00 0.00 H new ATOM 738 N LEU A 44 5.729 -6.203 -1.989 1.00 0.00 N ATOM 739 CA LEU A 44 6.742 -7.131 -2.461 1.00 0.00 C ATOM 740 C LEU A 44 6.181 -8.404 -3.071 1.00 0.00 C ATOM 741 O LEU A 44 6.851 -8.995 -3.915 1.00 0.00 O ATOM 742 CB LEU A 44 7.623 -7.514 -1.269 1.00 0.00 C ATOM 743 CG LEU A 44 8.496 -6.381 -0.718 1.00 0.00 C ATOM 744 CD1 LEU A 44 9.461 -5.884 -1.793 1.00 0.00 C ATOM 745 CD2 LEU A 44 7.806 -5.198 -0.052 1.00 0.00 C ATOM 0 H LEU A 44 5.273 -6.485 -1.121 1.00 0.00 H new ATOM 0 HA LEU A 44 7.295 -6.625 -3.252 1.00 0.00 H new ATOM 0 HB2 LEU A 44 6.983 -7.882 -0.467 1.00 0.00 H new ATOM 0 HB3 LEU A 44 8.270 -8.340 -1.565 1.00 0.00 H new ATOM 0 HG LEU A 44 9.014 -6.862 0.112 1.00 0.00 H new ATOM 0 HD11 LEU A 44 10.074 -5.080 -1.387 1.00 0.00 H new ATOM 0 HD12 LEU A 44 10.103 -6.704 -2.113 1.00 0.00 H new ATOM 0 HD13 LEU A 44 8.894 -5.513 -2.647 1.00 0.00 H new ATOM 0 HD21 LEU A 44 8.556 -4.482 0.285 1.00 0.00 H new ATOM 0 HD22 LEU A 44 7.139 -4.716 -0.767 1.00 0.00 H new ATOM 0 HD23 LEU A 44 7.228 -5.548 0.803 1.00 0.00 H new ATOM 757 N GLU A 45 4.992 -8.838 -2.658 1.00 0.00 N ATOM 758 CA GLU A 45 4.313 -10.014 -3.187 1.00 0.00 C ATOM 759 C GLU A 45 2.849 -9.962 -2.745 1.00 0.00 C ATOM 760 O GLU A 45 2.530 -9.291 -1.756 1.00 0.00 O ATOM 761 CB GLU A 45 5.036 -11.316 -2.776 1.00 0.00 C ATOM 762 CG GLU A 45 5.370 -11.460 -1.278 1.00 0.00 C ATOM 763 CD GLU A 45 6.384 -12.576 -0.980 1.00 0.00 C ATOM 764 OE1 GLU A 45 6.810 -13.330 -1.886 1.00 0.00 O ATOM 765 OE2 GLU A 45 6.766 -12.729 0.206 1.00 0.00 O ATOM 0 H GLU A 45 4.461 -8.367 -1.926 1.00 0.00 H new ATOM 0 HA GLU A 45 4.340 -10.012 -4.277 1.00 0.00 H new ATOM 0 HB2 GLU A 45 4.415 -12.162 -3.072 1.00 0.00 H new ATOM 0 HB3 GLU A 45 5.964 -11.387 -3.343 1.00 0.00 H new ATOM 0 HG2 GLU A 45 5.765 -10.513 -0.909 1.00 0.00 H new ATOM 0 HG3 GLU A 45 4.451 -11.658 -0.726 1.00 0.00 H new ATOM 772 N GLY A 46 1.968 -10.644 -3.485 1.00 0.00 N ATOM 773 CA GLY A 46 0.523 -10.676 -3.252 1.00 0.00 C ATOM 774 C GLY A 46 -0.208 -9.568 -4.007 1.00 0.00 C ATOM 775 O GLY A 46 0.411 -8.766 -4.712 1.00 0.00 O ATOM 0 H GLY A 46 2.252 -11.206 -4.287 1.00 0.00 H new ATOM 0 HA2 GLY A 46 0.128 -11.644 -3.560 1.00 0.00 H new ATOM 0 HA3 GLY A 46 0.327 -10.577 -2.184 1.00 0.00 H new ATOM 779 N LYS A 47 -1.541 -9.527 -3.903 1.00 0.00 N ATOM 780 CA LYS A 47 -2.393 -8.653 -4.710 1.00 0.00 C ATOM 781 C LYS A 47 -3.431 -8.014 -3.810 1.00 0.00 C ATOM 782 O LYS A 47 -4.074 -8.691 -3.004 1.00 0.00 O ATOM 783 CB LYS A 47 -3.093 -9.422 -5.843 1.00 0.00 C ATOM 784 CG LYS A 47 -3.023 -8.721 -7.213 1.00 0.00 C ATOM 785 CD LYS A 47 -3.521 -7.273 -7.347 1.00 0.00 C ATOM 786 CE LYS A 47 -5.037 -7.084 -7.166 1.00 0.00 C ATOM 787 NZ LYS A 47 -5.820 -7.492 -8.355 1.00 0.00 N ATOM 0 H LYS A 47 -2.063 -10.108 -3.247 1.00 0.00 H new ATOM 0 HA LYS A 47 -1.764 -7.891 -5.171 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -2.643 -10.411 -5.929 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -4.139 -9.570 -5.575 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -1.983 -8.740 -7.537 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -3.588 -9.328 -7.920 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -3.004 -6.658 -6.611 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -3.239 -6.898 -8.331 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -5.369 -7.663 -6.304 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -5.243 -6.037 -6.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -6.833 -7.341 -8.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -5.528 -6.923 -9.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -5.650 -8.499 -8.554 1.00 0.00 H new ATOM 801 N VAL A 48 -3.684 -6.736 -4.039 1.00 0.00 N ATOM 802 CA VAL A 48 -4.673 -5.960 -3.309 1.00 0.00 C ATOM 803 C VAL A 48 -5.446 -5.131 -4.323 1.00 0.00 C ATOM 804 O VAL A 48 -4.874 -4.700 -5.319 1.00 0.00 O ATOM 805 CB VAL A 48 -3.957 -5.093 -2.246 1.00 0.00 C ATOM 806 CG1 VAL A 48 -4.882 -4.054 -1.590 1.00 0.00 C ATOM 807 CG2 VAL A 48 -3.333 -5.975 -1.159 1.00 0.00 C ATOM 0 H VAL A 48 -3.196 -6.197 -4.754 1.00 0.00 H new ATOM 0 HA VAL A 48 -5.378 -6.595 -2.773 1.00 0.00 H new ATOM 0 HB VAL A 48 -3.178 -4.547 -2.778 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -4.319 -3.479 -0.855 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -5.274 -3.382 -2.354 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -5.709 -4.564 -1.096 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -2.835 -5.346 -0.422 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -4.114 -6.558 -0.670 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -2.606 -6.650 -1.611 1.00 0.00 H new ATOM 817 N GLU A 49 -6.733 -4.910 -4.074 1.00 0.00 N ATOM 818 CA GLU A 49 -7.519 -3.798 -4.599 1.00 0.00 C ATOM 819 C GLU A 49 -7.824 -2.967 -3.343 1.00 0.00 C ATOM 820 O GLU A 49 -8.460 -3.470 -2.409 1.00 0.00 O ATOM 821 CB GLU A 49 -8.839 -4.306 -5.206 1.00 0.00 C ATOM 822 CG GLU A 49 -8.862 -4.251 -6.738 1.00 0.00 C ATOM 823 CD GLU A 49 -10.275 -4.571 -7.237 1.00 0.00 C ATOM 824 OE1 GLU A 49 -10.623 -5.775 -7.315 1.00 0.00 O ATOM 825 OE2 GLU A 49 -11.095 -3.648 -7.459 1.00 0.00 O ATOM 0 H GLU A 49 -7.281 -5.528 -3.475 1.00 0.00 H new ATOM 0 HA GLU A 49 -7.001 -3.246 -5.383 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -9.008 -5.333 -4.884 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -9.664 -3.710 -4.815 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -8.558 -3.262 -7.082 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -8.149 -4.965 -7.149 1.00 0.00 H new ATOM 832 N VAL A 50 -7.341 -1.731 -3.272 1.00 0.00 N ATOM 833 CA VAL A 50 -7.813 -0.729 -2.326 1.00 0.00 C ATOM 834 C VAL A 50 -8.931 0.021 -3.039 1.00 0.00 C ATOM 835 O VAL A 50 -8.695 0.566 -4.111 1.00 0.00 O ATOM 836 CB VAL A 50 -6.663 0.218 -1.921 1.00 0.00 C ATOM 837 CG1 VAL A 50 -7.144 1.211 -0.859 1.00 0.00 C ATOM 838 CG2 VAL A 50 -5.453 -0.556 -1.382 1.00 0.00 C ATOM 0 H VAL A 50 -6.597 -1.392 -3.882 1.00 0.00 H new ATOM 0 HA VAL A 50 -8.175 -1.180 -1.402 1.00 0.00 H new ATOM 0 HB VAL A 50 -6.353 0.756 -2.817 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -6.324 1.873 -0.582 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -7.968 1.802 -1.260 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -7.483 0.666 0.022 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -4.665 0.146 -1.108 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -5.750 -1.130 -0.504 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -5.083 -1.235 -2.151 1.00 0.00 H new ATOM 848 N THR A 51 -10.144 0.063 -2.498 1.00 0.00 N ATOM 849 CA THR A 51 -11.287 0.627 -3.214 1.00 0.00 C ATOM 850 C THR A 51 -11.891 1.734 -2.359 1.00 0.00 C ATOM 851 O THR A 51 -12.492 1.468 -1.311 1.00 0.00 O ATOM 852 CB THR A 51 -12.252 -0.490 -3.616 1.00 0.00 C ATOM 853 OG1 THR A 51 -11.545 -1.455 -4.375 1.00 0.00 O ATOM 854 CG2 THR A 51 -13.389 0.051 -4.488 1.00 0.00 C ATOM 0 H THR A 51 -10.363 -0.287 -1.565 1.00 0.00 H new ATOM 0 HA THR A 51 -10.994 1.092 -4.155 1.00 0.00 H new ATOM 0 HB THR A 51 -12.670 -0.924 -2.708 1.00 0.00 H new ATOM 0 HG1 THR A 51 -12.155 -2.176 -4.636 1.00 0.00 H new ATOM 0 HG21 THR A 51 -14.059 -0.765 -4.759 1.00 0.00 H new ATOM 0 HG22 THR A 51 -13.944 0.808 -3.934 1.00 0.00 H new ATOM 0 HG23 THR A 51 -12.974 0.495 -5.393 1.00 0.00 H new ATOM 862 N THR A 52 -11.666 2.988 -2.745 1.00 0.00 N ATOM 863 CA THR A 52 -12.156 4.136 -1.995 1.00 0.00 C ATOM 864 C THR A 52 -13.688 4.192 -2.136 1.00 0.00 C ATOM 865 O THR A 52 -14.300 3.403 -2.870 1.00 0.00 O ATOM 866 CB THR A 52 -11.412 5.416 -2.432 1.00 0.00 C ATOM 867 OG1 THR A 52 -11.784 5.768 -3.748 1.00 0.00 O ATOM 868 CG2 THR A 52 -9.888 5.258 -2.367 1.00 0.00 C ATOM 0 H THR A 52 -11.140 3.234 -3.584 1.00 0.00 H new ATOM 0 HA THR A 52 -11.944 4.044 -0.930 1.00 0.00 H new ATOM 0 HB THR A 52 -11.698 6.202 -1.734 1.00 0.00 H new ATOM 0 HG1 THR A 52 -11.308 6.582 -4.016 1.00 0.00 H new ATOM 0 HG21 THR A 52 -9.412 6.186 -2.684 1.00 0.00 H new ATOM 0 HG22 THR A 52 -9.589 5.028 -1.344 1.00 0.00 H new ATOM 0 HG23 THR A 52 -9.578 4.447 -3.026 1.00 0.00 H new ATOM 876 N GLU A 53 -14.354 5.071 -1.395 1.00 0.00 N ATOM 877 CA GLU A 53 -15.807 5.161 -1.435 1.00 0.00 C ATOM 878 C GLU A 53 -16.307 5.956 -2.648 1.00 0.00 C ATOM 879 O GLU A 53 -17.486 5.880 -2.988 1.00 0.00 O ATOM 880 CB GLU A 53 -16.341 5.698 -0.114 1.00 0.00 C ATOM 881 CG GLU A 53 -15.716 7.014 0.342 1.00 0.00 C ATOM 882 CD GLU A 53 -16.416 7.470 1.610 1.00 0.00 C ATOM 883 OE1 GLU A 53 -16.120 6.910 2.689 1.00 0.00 O ATOM 884 OE2 GLU A 53 -17.284 8.365 1.507 1.00 0.00 O ATOM 0 H GLU A 53 -13.909 5.732 -0.759 1.00 0.00 H new ATOM 0 HA GLU A 53 -16.206 4.155 -1.565 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -17.419 5.835 -0.203 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -16.178 4.947 0.660 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -14.650 6.883 0.525 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -15.815 7.770 -0.437 1.00 0.00 H new ATOM 891 N ASP A 54 -15.423 6.650 -3.375 1.00 0.00 N ATOM 892 CA ASP A 54 -15.708 7.122 -4.743 1.00 0.00 C ATOM 893 C ASP A 54 -15.895 5.956 -5.730 1.00 0.00 C ATOM 894 O ASP A 54 -16.358 6.161 -6.851 1.00 0.00 O ATOM 895 CB ASP A 54 -14.598 8.066 -5.241 1.00 0.00 C ATOM 896 CG ASP A 54 -15.056 8.896 -6.449 1.00 0.00 C ATOM 897 OD1 ASP A 54 -16.111 9.556 -6.316 1.00 0.00 O ATOM 898 OD2 ASP A 54 -14.377 8.923 -7.502 1.00 0.00 O ATOM 0 H ASP A 54 -14.494 6.901 -3.037 1.00 0.00 H new ATOM 0 HA ASP A 54 -16.648 7.673 -4.699 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -14.299 8.734 -4.433 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -13.719 7.482 -5.513 1.00 0.00 H new ATOM 903 N GLY A 55 -15.571 4.722 -5.320 1.00 0.00 N ATOM 904 CA GLY A 55 -15.650 3.517 -6.140 1.00 0.00 C ATOM 905 C GLY A 55 -14.355 3.241 -6.902 1.00 0.00 C ATOM 906 O GLY A 55 -14.209 2.158 -7.479 1.00 0.00 O ATOM 0 H GLY A 55 -15.236 4.535 -4.375 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -15.882 2.663 -5.504 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -16.471 3.618 -6.850 1.00 0.00 H new ATOM 910 N LYS A 56 -13.417 4.195 -6.884 1.00 0.00 N ATOM 911 CA LYS A 56 -12.117 4.096 -7.524 1.00 0.00 C ATOM 912 C LYS A 56 -11.372 2.933 -6.901 1.00 0.00 C ATOM 913 O LYS A 56 -11.189 2.879 -5.682 1.00 0.00 O ATOM 914 CB LYS A 56 -11.317 5.388 -7.327 1.00 0.00 C ATOM 915 CG LYS A 56 -11.897 6.618 -8.026 1.00 0.00 C ATOM 916 CD LYS A 56 -11.648 6.611 -9.537 1.00 0.00 C ATOM 917 CE LYS A 56 -11.920 8.022 -10.052 1.00 0.00 C ATOM 918 NZ LYS A 56 -11.797 8.129 -11.517 1.00 0.00 N ATOM 0 H LYS A 56 -13.555 5.085 -6.405 1.00 0.00 H new ATOM 0 HA LYS A 56 -12.247 3.939 -8.595 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -11.246 5.595 -6.259 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -10.301 5.228 -7.689 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -12.970 6.665 -7.839 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -11.458 7.517 -7.594 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -10.622 6.314 -9.755 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -12.300 5.890 -10.030 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -12.923 8.326 -9.753 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -11.223 8.716 -9.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -11.992 9.107 -11.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -10.833 7.867 -11.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -12.480 7.489 -11.970 1.00 0.00 H new ATOM 932 N LYS A 57 -10.952 2.006 -7.751 1.00 0.00 N ATOM 933 CA LYS A 57 -10.209 0.826 -7.395 1.00 0.00 C ATOM 934 C LYS A 57 -8.744 1.080 -7.693 1.00 0.00 C ATOM 935 O LYS A 57 -8.369 1.465 -8.806 1.00 0.00 O ATOM 936 CB LYS A 57 -10.793 -0.420 -8.056 1.00 0.00 C ATOM 937 CG LYS A 57 -11.004 -0.338 -9.567 1.00 0.00 C ATOM 938 CD LYS A 57 -12.289 0.400 -9.980 1.00 0.00 C ATOM 939 CE LYS A 57 -13.297 -0.507 -10.692 1.00 0.00 C ATOM 940 NZ LYS A 57 -14.548 0.224 -10.985 1.00 0.00 N ATOM 0 H LYS A 57 -11.134 2.068 -8.753 1.00 0.00 H new ATOM 0 HA LYS A 57 -10.291 0.618 -6.328 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -10.133 -1.262 -7.846 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -11.751 -0.641 -7.586 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -10.148 0.165 -10.016 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -11.030 -1.348 -9.975 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -12.757 0.828 -9.093 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -12.029 1.231 -10.636 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -12.864 -0.881 -11.620 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -13.515 -1.375 -10.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -15.216 -0.411 -11.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -14.970 0.560 -10.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -14.339 1.038 -11.598 1.00 0.00 H new ATOM 954 N TYR A 58 -7.919 0.838 -6.691 1.00 0.00 N ATOM 955 CA TYR A 58 -6.489 1.006 -6.697 1.00 0.00 C ATOM 956 C TYR A 58 -5.887 -0.316 -6.310 1.00 0.00 C ATOM 957 O TYR A 58 -5.566 -0.626 -5.164 1.00 0.00 O ATOM 958 CB TYR A 58 -6.088 2.120 -5.732 1.00 0.00 C ATOM 959 CG TYR A 58 -6.689 3.483 -6.007 1.00 0.00 C ATOM 960 CD1 TYR A 58 -6.062 4.366 -6.902 1.00 0.00 C ATOM 961 CD2 TYR A 58 -7.868 3.873 -5.348 1.00 0.00 C ATOM 962 CE1 TYR A 58 -6.596 5.647 -7.127 1.00 0.00 C ATOM 963 CE2 TYR A 58 -8.410 5.151 -5.573 1.00 0.00 C ATOM 964 CZ TYR A 58 -7.773 6.049 -6.459 1.00 0.00 C ATOM 965 OH TYR A 58 -8.316 7.281 -6.685 1.00 0.00 O ATOM 0 H TYR A 58 -8.260 0.496 -5.793 1.00 0.00 H new ATOM 0 HA TYR A 58 -6.125 1.300 -7.682 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -6.368 1.818 -4.723 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -5.002 2.214 -5.747 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -5.165 4.059 -7.420 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -8.358 3.191 -4.669 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -6.106 6.324 -7.811 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -9.317 5.447 -5.067 1.00 0.00 H new ATOM 0 HH TYR A 58 -9.124 7.387 -6.141 1.00 0.00 H new ATOM 975 N VAL A 59 -5.781 -1.109 -7.348 1.00 0.00 N ATOM 976 CA VAL A 59 -4.960 -2.276 -7.429 1.00 0.00 C ATOM 977 C VAL A 59 -3.504 -1.863 -7.538 1.00 0.00 C ATOM 978 O VAL A 59 -3.184 -0.805 -8.077 1.00 0.00 O ATOM 979 CB VAL A 59 -5.514 -3.140 -8.552 1.00 0.00 C ATOM 980 CG1 VAL A 59 -5.894 -2.362 -9.798 1.00 0.00 C ATOM 981 CG2 VAL A 59 -4.533 -4.250 -8.942 1.00 0.00 C ATOM 0 H VAL A 59 -6.301 -0.939 -8.209 1.00 0.00 H new ATOM 0 HA VAL A 59 -4.985 -2.896 -6.533 1.00 0.00 H new ATOM 0 HB VAL A 59 -6.428 -3.571 -8.143 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -6.280 -3.048 -10.552 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -6.660 -1.628 -9.549 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -5.015 -1.850 -10.190 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -4.961 -4.848 -9.747 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -3.596 -3.806 -9.279 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -4.343 -4.887 -8.078 1.00 0.00 H new ATOM 991 N ILE A 60 -2.665 -2.721 -6.976 1.00 0.00 N ATOM 992 CA ILE A 60 -1.240 -2.564 -6.826 1.00 0.00 C ATOM 993 C ILE A 60 -0.640 -3.962 -6.899 1.00 0.00 C ATOM 994 O ILE A 60 -1.083 -4.864 -6.176 1.00 0.00 O ATOM 995 CB ILE A 60 -0.928 -1.847 -5.493 1.00 0.00 C ATOM 996 CG1 ILE A 60 -1.744 -2.371 -4.281 1.00 0.00 C ATOM 997 CG2 ILE A 60 -1.155 -0.343 -5.679 1.00 0.00 C ATOM 998 CD1 ILE A 60 -1.498 -1.609 -2.980 1.00 0.00 C ATOM 0 H ILE A 60 -2.994 -3.605 -6.588 1.00 0.00 H new ATOM 0 HA ILE A 60 -0.807 -1.943 -7.610 1.00 0.00 H new ATOM 0 HB ILE A 60 0.113 -2.061 -5.252 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -2.806 -2.320 -4.523 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -1.504 -3.422 -4.123 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -0.938 0.176 -4.745 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -0.496 0.030 -6.463 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -2.192 -0.164 -5.961 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -2.107 -2.040 -2.185 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -0.445 -1.681 -2.710 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -1.767 -0.561 -3.116 1.00 0.00 H new ATOM 1010 N GLU A 61 0.313 -4.159 -7.804 1.00 0.00 N ATOM 1011 CA GLU A 61 1.150 -5.345 -7.826 1.00 0.00 C ATOM 1012 C GLU A 61 2.384 -5.131 -6.939 1.00 0.00 C ATOM 1013 O GLU A 61 2.606 -4.065 -6.360 1.00 0.00 O ATOM 1014 CB GLU A 61 1.551 -5.724 -9.270 1.00 0.00 C ATOM 1015 CG GLU A 61 2.497 -4.714 -9.952 1.00 0.00 C ATOM 1016 CD GLU A 61 3.272 -5.273 -11.148 1.00 0.00 C ATOM 1017 OE1 GLU A 61 3.926 -6.328 -11.028 1.00 0.00 O ATOM 1018 OE2 GLU A 61 3.289 -4.585 -12.200 1.00 0.00 O ATOM 0 H GLU A 61 0.525 -3.493 -8.547 1.00 0.00 H new ATOM 0 HA GLU A 61 0.577 -6.181 -7.425 1.00 0.00 H new ATOM 0 HB2 GLU A 61 2.032 -6.702 -9.256 1.00 0.00 H new ATOM 0 HB3 GLU A 61 0.647 -5.821 -9.872 1.00 0.00 H new ATOM 0 HG2 GLU A 61 1.913 -3.856 -10.284 1.00 0.00 H new ATOM 0 HG3 GLU A 61 3.210 -4.348 -9.213 1.00 0.00 H new ATOM 1025 N LYS A 62 3.201 -6.175 -6.869 1.00 0.00 N ATOM 1026 CA LYS A 62 4.481 -6.339 -6.191 1.00 0.00 C ATOM 1027 C LYS A 62 5.620 -5.446 -6.703 1.00 0.00 C ATOM 1028 O LYS A 62 6.709 -5.921 -7.037 1.00 0.00 O ATOM 1029 CB LYS A 62 4.811 -7.828 -6.290 1.00 0.00 C ATOM 1030 CG LYS A 62 4.955 -8.345 -7.733 1.00 0.00 C ATOM 1031 CD LYS A 62 4.912 -9.874 -7.709 1.00 0.00 C ATOM 1032 CE LYS A 62 5.690 -10.504 -8.862 1.00 0.00 C ATOM 1033 NZ LYS A 62 7.151 -10.352 -8.681 1.00 0.00 N ATOM 0 H LYS A 62 2.947 -7.038 -7.349 1.00 0.00 H new ATOM 0 HA LYS A 62 4.386 -6.004 -5.158 1.00 0.00 H new ATOM 0 HB2 LYS A 62 5.739 -8.020 -5.752 1.00 0.00 H new ATOM 0 HB3 LYS A 62 4.028 -8.397 -5.788 1.00 0.00 H new ATOM 0 HG2 LYS A 62 4.152 -7.954 -8.357 1.00 0.00 H new ATOM 0 HG3 LYS A 62 5.893 -7.999 -8.167 1.00 0.00 H new ATOM 0 HD2 LYS A 62 5.321 -10.230 -6.763 1.00 0.00 H new ATOM 0 HD3 LYS A 62 3.874 -10.205 -7.753 1.00 0.00 H new ATOM 0 HE2 LYS A 62 5.440 -11.562 -8.935 1.00 0.00 H new ATOM 0 HE3 LYS A 62 5.389 -10.040 -9.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 7.650 -10.983 -9.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 7.424 -9.367 -8.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 7.407 -10.599 -7.704 1.00 0.00 H new ATOM 1047 N GLY A 63 5.369 -4.150 -6.724 1.00 0.00 N ATOM 1048 CA GLY A 63 6.311 -3.109 -7.100 1.00 0.00 C ATOM 1049 C GLY A 63 5.668 -1.723 -7.169 1.00 0.00 C ATOM 1050 O GLY A 63 6.387 -0.727 -7.143 1.00 0.00 O ATOM 0 H GLY A 63 4.456 -3.775 -6.466 1.00 0.00 H new ATOM 0 HA2 GLY A 63 7.129 -3.089 -6.380 1.00 0.00 H new ATOM 0 HA3 GLY A 63 6.745 -3.352 -8.070 1.00 0.00 H new ATOM 1054 N ASP A 64 4.333 -1.621 -7.168 1.00 0.00 N ATOM 1055 CA ASP A 64 3.613 -0.340 -7.163 1.00 0.00 C ATOM 1056 C ASP A 64 3.823 0.335 -5.811 1.00 0.00 C ATOM 1057 O ASP A 64 3.267 -0.128 -4.813 1.00 0.00 O ATOM 1058 CB ASP A 64 2.109 -0.568 -7.333 1.00 0.00 C ATOM 1059 CG ASP A 64 1.660 -0.741 -8.774 1.00 0.00 C ATOM 1060 OD1 ASP A 64 1.735 0.221 -9.570 1.00 0.00 O ATOM 1061 OD2 ASP A 64 1.181 -1.837 -9.135 1.00 0.00 O ATOM 0 H ASP A 64 3.716 -2.433 -7.171 1.00 0.00 H new ATOM 0 HA ASP A 64 3.990 0.273 -7.982 1.00 0.00 H new ATOM 0 HB2 ASP A 64 1.822 -1.454 -6.767 1.00 0.00 H new ATOM 0 HB3 ASP A 64 1.574 0.276 -6.897 1.00 0.00 H new ATOM 1066 N LEU A 65 4.704 1.329 -5.700 1.00 0.00 N ATOM 1067 CA LEU A 65 4.876 2.079 -4.465 1.00 0.00 C ATOM 1068 C LEU A 65 3.673 3.013 -4.344 1.00 0.00 C ATOM 1069 O LEU A 65 3.240 3.588 -5.345 1.00 0.00 O ATOM 1070 CB LEU A 65 6.194 2.852 -4.512 1.00 0.00 C ATOM 1071 CG LEU A 65 6.459 3.696 -3.247 1.00 0.00 C ATOM 1072 CD1 LEU A 65 7.098 2.859 -2.137 1.00 0.00 C ATOM 1073 CD2 LEU A 65 7.395 4.853 -3.580 1.00 0.00 C ATOM 0 H LEU A 65 5.313 1.632 -6.460 1.00 0.00 H new ATOM 0 HA LEU A 65 4.923 1.425 -3.595 1.00 0.00 H new ATOM 0 HB2 LEU A 65 7.015 2.147 -4.647 1.00 0.00 H new ATOM 0 HB3 LEU A 65 6.190 3.508 -5.382 1.00 0.00 H new ATOM 0 HG LEU A 65 5.497 4.071 -2.897 1.00 0.00 H new ATOM 0 HD11 LEU A 65 7.270 3.486 -1.262 1.00 0.00 H new ATOM 0 HD12 LEU A 65 6.432 2.039 -1.870 1.00 0.00 H new ATOM 0 HD13 LEU A 65 8.048 2.455 -2.487 1.00 0.00 H new ATOM 0 HD21 LEU A 65 7.577 5.444 -2.682 1.00 0.00 H new ATOM 0 HD22 LEU A 65 8.341 4.460 -3.954 1.00 0.00 H new ATOM 0 HD23 LEU A 65 6.937 5.483 -4.342 1.00 0.00 H new ATOM 1085 N VAL A 66 3.155 3.187 -3.130 1.00 0.00 N ATOM 1086 CA VAL A 66 1.957 3.975 -2.864 1.00 0.00 C ATOM 1087 C VAL A 66 2.289 5.057 -1.844 1.00 0.00 C ATOM 1088 O VAL A 66 3.281 4.967 -1.112 1.00 0.00 O ATOM 1089 CB VAL A 66 0.823 3.025 -2.404 1.00 0.00 C ATOM 1090 CG1 VAL A 66 -0.558 3.693 -2.279 1.00 0.00 C ATOM 1091 CG2 VAL A 66 0.656 1.816 -3.334 1.00 0.00 C ATOM 0 H VAL A 66 3.564 2.777 -2.290 1.00 0.00 H new ATOM 0 HA VAL A 66 1.605 4.483 -3.762 1.00 0.00 H new ATOM 0 HB VAL A 66 1.153 2.712 -1.413 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -1.291 2.955 -1.952 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -0.507 4.501 -1.549 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -0.856 4.096 -3.247 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -0.151 1.183 -2.966 1.00 0.00 H new ATOM 0 HG22 VAL A 66 0.417 2.161 -4.340 1.00 0.00 H new ATOM 0 HG23 VAL A 66 1.584 1.244 -3.357 1.00 0.00 H new ATOM 1101 N THR A 67 1.457 6.096 -1.787 1.00 0.00 N ATOM 1102 CA THR A 67 1.389 7.002 -0.656 1.00 0.00 C ATOM 1103 C THR A 67 -0.076 7.400 -0.459 1.00 0.00 C ATOM 1104 O THR A 67 -0.657 8.116 -1.285 1.00 0.00 O ATOM 1105 CB THR A 67 2.314 8.200 -0.872 1.00 0.00 C ATOM 1106 OG1 THR A 67 3.631 7.769 -1.169 1.00 0.00 O ATOM 1107 CG2 THR A 67 2.360 9.093 0.382 1.00 0.00 C ATOM 0 H THR A 67 0.806 6.330 -2.537 1.00 0.00 H new ATOM 0 HA THR A 67 1.740 6.520 0.256 1.00 0.00 H new ATOM 0 HB THR A 67 1.916 8.771 -1.711 1.00 0.00 H new ATOM 0 HG1 THR A 67 4.103 7.562 -0.336 1.00 0.00 H new ATOM 0 HG21 THR A 67 3.025 9.938 0.203 1.00 0.00 H new ATOM 0 HG22 THR A 67 1.358 9.460 0.604 1.00 0.00 H new ATOM 0 HG23 THR A 67 2.730 8.514 1.228 1.00 0.00 H new ATOM 1115 N PHE A 68 -0.678 6.912 0.626 1.00 0.00 N ATOM 1116 CA PHE A 68 -1.984 7.355 1.095 1.00 0.00 C ATOM 1117 C PHE A 68 -1.804 8.671 1.861 1.00 0.00 C ATOM 1118 O PHE A 68 -0.750 8.871 2.470 1.00 0.00 O ATOM 1119 CB PHE A 68 -2.594 6.283 2.005 1.00 0.00 C ATOM 1120 CG PHE A 68 -2.686 4.911 1.365 1.00 0.00 C ATOM 1121 CD1 PHE A 68 -3.649 4.650 0.370 1.00 0.00 C ATOM 1122 CD2 PHE A 68 -1.798 3.891 1.759 1.00 0.00 C ATOM 1123 CE1 PHE A 68 -3.721 3.377 -0.223 1.00 0.00 C ATOM 1124 CE2 PHE A 68 -1.865 2.622 1.158 1.00 0.00 C ATOM 1125 CZ PHE A 68 -2.830 2.365 0.170 1.00 0.00 C ATOM 0 H PHE A 68 -0.262 6.187 1.210 1.00 0.00 H new ATOM 0 HA PHE A 68 -2.657 7.514 0.252 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -1.997 6.210 2.914 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -3.593 6.601 2.305 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -4.332 5.428 0.063 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -1.063 4.085 2.526 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -4.463 3.177 -0.982 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -1.176 1.846 1.455 1.00 0.00 H new ATOM 0 HZ PHE A 68 -2.887 1.388 -0.288 1.00 0.00 H new ATOM 1135 N PRO A 69 -2.789 9.587 1.842 1.00 0.00 N ATOM 1136 CA PRO A 69 -2.695 10.855 2.550 1.00 0.00 C ATOM 1137 C PRO A 69 -3.175 10.736 4.001 1.00 0.00 C ATOM 1138 O PRO A 69 -3.682 9.707 4.436 1.00 0.00 O ATOM 1139 CB PRO A 69 -3.621 11.778 1.765 1.00 0.00 C ATOM 1140 CG PRO A 69 -4.783 10.836 1.477 1.00 0.00 C ATOM 1141 CD PRO A 69 -4.062 9.525 1.132 1.00 0.00 C ATOM 0 HA PRO A 69 -1.667 11.214 2.607 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -3.928 12.648 2.346 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -3.156 12.152 0.853 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -5.440 10.724 2.340 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -5.399 11.191 0.651 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -4.646 8.660 1.447 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -3.909 9.432 0.057 1.00 0.00 H new ATOM 1149 N LYS A 70 -3.087 11.855 4.714 1.00 0.00 N ATOM 1150 CA LYS A 70 -3.593 12.034 6.069 1.00 0.00 C ATOM 1151 C LYS A 70 -5.069 12.423 5.962 1.00 0.00 C ATOM 1152 O LYS A 70 -5.398 13.611 5.960 1.00 0.00 O ATOM 1153 CB LYS A 70 -2.689 13.068 6.767 1.00 0.00 C ATOM 1154 CG LYS A 70 -2.976 13.333 8.256 1.00 0.00 C ATOM 1155 CD LYS A 70 -1.808 14.131 8.853 1.00 0.00 C ATOM 1156 CE LYS A 70 -1.923 14.219 10.375 1.00 0.00 C ATOM 1157 NZ LYS A 70 -0.790 14.952 10.970 1.00 0.00 N ATOM 0 H LYS A 70 -2.642 12.696 4.347 1.00 0.00 H new ATOM 0 HA LYS A 70 -3.559 11.134 6.682 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -1.655 12.737 6.672 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -2.772 14.013 6.230 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -3.908 13.888 8.367 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -3.100 12.391 8.789 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -0.864 13.657 8.583 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -1.794 15.134 8.428 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -2.856 14.715 10.641 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -1.966 13.214 10.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -0.905 14.990 12.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 0.099 14.465 10.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -0.764 15.919 10.589 1.00 0.00 H new ATOM 1171 N GLY A 71 -5.935 11.420 5.822 1.00 0.00 N ATOM 1172 CA GLY A 71 -7.388 11.521 5.790 1.00 0.00 C ATOM 1173 C GLY A 71 -7.967 10.777 4.583 1.00 0.00 C ATOM 1174 O GLY A 71 -8.287 11.421 3.581 1.00 0.00 O ATOM 0 H GLY A 71 -5.617 10.456 5.722 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -7.804 11.109 6.709 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -7.682 12.570 5.749 1.00 0.00 H new ATOM 1178 N LEU A 72 -8.090 9.443 4.640 1.00 0.00 N ATOM 1179 CA LEU A 72 -8.711 8.608 3.600 1.00 0.00 C ATOM 1180 C LEU A 72 -9.395 7.385 4.201 1.00 0.00 C ATOM 1181 O LEU A 72 -8.710 6.523 4.738 1.00 0.00 O ATOM 1182 CB LEU A 72 -7.687 8.214 2.528 1.00 0.00 C ATOM 1183 CG LEU A 72 -8.345 7.427 1.368 1.00 0.00 C ATOM 1184 CD1 LEU A 72 -7.717 7.809 0.033 1.00 0.00 C ATOM 1185 CD2 LEU A 72 -8.164 5.934 1.504 1.00 0.00 C ATOM 0 H LEU A 72 -7.751 8.899 5.433 1.00 0.00 H new ATOM 0 HA LEU A 72 -9.485 9.202 3.114 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -7.209 9.111 2.134 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -6.902 7.607 2.980 1.00 0.00 H new ATOM 0 HG LEU A 72 -9.404 7.681 1.409 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -8.194 7.245 -0.768 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -7.856 8.876 -0.142 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -6.651 7.580 0.053 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -8.645 5.431 0.665 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -7.100 5.695 1.509 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -8.616 5.596 2.436 1.00 0.00 H new ATOM 1197 N ARG A 73 -10.719 7.262 4.047 1.00 0.00 N ATOM 1198 CA ARG A 73 -11.449 5.998 4.206 1.00 0.00 C ATOM 1199 C ARG A 73 -11.429 5.222 2.890 1.00 0.00 C ATOM 1200 O ARG A 73 -11.741 5.785 1.838 1.00 0.00 O ATOM 1201 CB ARG A 73 -12.911 6.292 4.612 1.00 0.00 C ATOM 1202 CG ARG A 73 -13.859 5.080 4.636 1.00 0.00 C ATOM 1203 CD ARG A 73 -13.434 3.895 5.528 1.00 0.00 C ATOM 1204 NE ARG A 73 -14.147 3.844 6.816 1.00 0.00 N ATOM 1205 CZ ARG A 73 -15.405 3.429 7.008 1.00 0.00 C ATOM 1206 NH1 ARG A 73 -16.230 3.201 5.986 1.00 0.00 N ATOM 1207 NH2 ARG A 73 -15.844 3.245 8.241 1.00 0.00 N ATOM 0 H ARG A 73 -11.322 8.048 3.805 1.00 0.00 H new ATOM 0 HA ARG A 73 -10.970 5.401 4.983 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -12.908 6.746 5.603 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -13.317 7.033 3.923 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -14.841 5.421 4.965 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -13.974 4.715 3.615 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -13.608 2.964 4.989 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -12.362 3.959 5.717 1.00 0.00 H new ATOM 0 HE ARG A 73 -13.633 4.155 7.640 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -15.907 3.342 5.029 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -17.184 2.885 6.161 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -15.226 3.419 9.034 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -16.801 2.929 8.400 1.00 0.00 H new ATOM 1221 N CYS A 74 -11.136 3.920 2.931 1.00 0.00 N ATOM 1222 CA CYS A 74 -11.350 3.006 1.811 1.00 0.00 C ATOM 1223 C CYS A 74 -11.630 1.568 2.258 1.00 0.00 C ATOM 1224 O CYS A 74 -11.624 1.257 3.446 1.00 0.00 O ATOM 1225 CB CYS A 74 -10.109 3.057 0.927 1.00 0.00 C ATOM 1226 SG CYS A 74 -8.639 2.508 1.849 1.00 0.00 S ATOM 0 H CYS A 74 -10.739 3.467 3.754 1.00 0.00 H new ATOM 0 HA CYS A 74 -12.238 3.326 1.265 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -10.253 2.423 0.052 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -9.957 4.073 0.563 1.00 0.00 H new ATOM 0 HG CYS A 74 -8.908 2.485 3.121 1.00 0.00 H new ATOM 1232 N ARG A 75 -11.874 0.676 1.295 1.00 0.00 N ATOM 1233 CA ARG A 75 -11.907 -0.769 1.492 1.00 0.00 C ATOM 1234 C ARG A 75 -10.563 -1.354 1.124 1.00 0.00 C ATOM 1235 O ARG A 75 -9.836 -0.752 0.334 1.00 0.00 O ATOM 1236 CB ARG A 75 -12.959 -1.435 0.604 1.00 0.00 C ATOM 1237 CG ARG A 75 -14.323 -1.507 1.284 1.00 0.00 C ATOM 1238 CD ARG A 75 -14.940 -0.116 1.436 1.00 0.00 C ATOM 1239 NE ARG A 75 -15.039 0.596 0.142 1.00 0.00 N ATOM 1240 CZ ARG A 75 -16.117 0.686 -0.644 1.00 0.00 C ATOM 1241 NH1 ARG A 75 -17.252 0.077 -0.312 1.00 0.00 N ATOM 1242 NH2 ARG A 75 -16.045 1.391 -1.770 1.00 0.00 N ATOM 0 H ARG A 75 -12.059 0.950 0.330 1.00 0.00 H new ATOM 0 HA ARG A 75 -12.151 -0.952 2.538 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -13.049 -0.879 -0.329 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -12.630 -2.441 0.346 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -14.990 -2.142 0.700 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -14.219 -1.971 2.265 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -15.933 -0.207 1.876 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -14.338 0.473 2.128 1.00 0.00 H new ATOM 0 HE ARG A 75 -14.196 1.068 -0.185 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -17.306 -0.466 0.550 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -18.068 0.153 -0.919 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -15.174 1.856 -2.026 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -16.861 1.467 -2.377 1.00 0.00 H new ATOM 1256 N TRP A 76 -10.298 -2.559 1.614 1.00 0.00 N ATOM 1257 CA TRP A 76 -9.128 -3.348 1.282 1.00 0.00 C ATOM 1258 C TRP A 76 -9.614 -4.767 0.956 1.00 0.00 C ATOM 1259 O TRP A 76 -10.214 -5.412 1.819 1.00 0.00 O ATOM 1260 CB TRP A 76 -8.139 -3.316 2.457 1.00 0.00 C ATOM 1261 CG TRP A 76 -7.037 -2.303 2.358 1.00 0.00 C ATOM 1262 CD1 TRP A 76 -7.182 -0.968 2.194 1.00 0.00 C ATOM 1263 CD2 TRP A 76 -5.597 -2.540 2.382 1.00 0.00 C ATOM 1264 NE1 TRP A 76 -5.943 -0.380 2.043 1.00 0.00 N ATOM 1265 CE2 TRP A 76 -4.936 -1.313 2.098 1.00 0.00 C ATOM 1266 CE3 TRP A 76 -4.777 -3.668 2.592 1.00 0.00 C ATOM 1267 CZ2 TRP A 76 -3.547 -1.228 1.954 1.00 0.00 C ATOM 1268 CZ3 TRP A 76 -3.381 -3.596 2.449 1.00 0.00 C ATOM 1269 CH2 TRP A 76 -2.769 -2.376 2.127 1.00 0.00 C ATOM 0 H TRP A 76 -10.917 -3.026 2.277 1.00 0.00 H new ATOM 0 HA TRP A 76 -8.597 -2.950 0.417 1.00 0.00 H new ATOM 0 HB2 TRP A 76 -8.699 -3.127 3.373 1.00 0.00 H new ATOM 0 HB3 TRP A 76 -7.690 -4.304 2.556 1.00 0.00 H new ATOM 0 HD1 TRP A 76 -8.125 -0.442 2.183 1.00 0.00 H new ATOM 0 HE1 TRP A 76 -5.794 0.620 1.908 1.00 0.00 H new ATOM 0 HE3 TRP A 76 -5.232 -4.608 2.869 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 -3.081 -0.285 1.712 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 -2.778 -4.482 2.587 1.00 0.00 H new ATOM 0 HH2 TRP A 76 -1.696 -2.324 2.013 1.00 0.00 H new ATOM 1280 N LYS A 77 -9.421 -5.261 -0.274 1.00 0.00 N ATOM 1281 CA LYS A 77 -9.617 -6.679 -0.611 1.00 0.00 C ATOM 1282 C LYS A 77 -8.219 -7.262 -0.737 1.00 0.00 C ATOM 1283 O LYS A 77 -7.455 -6.810 -1.594 1.00 0.00 O ATOM 1284 CB LYS A 77 -10.443 -6.848 -1.907 1.00 0.00 C ATOM 1285 CG LYS A 77 -11.493 -7.978 -1.888 1.00 0.00 C ATOM 1286 CD LYS A 77 -10.978 -9.379 -1.512 1.00 0.00 C ATOM 1287 CE LYS A 77 -12.093 -10.442 -1.498 1.00 0.00 C ATOM 1288 NZ LYS A 77 -12.663 -10.763 -2.823 1.00 0.00 N ATOM 0 H LYS A 77 -9.124 -4.689 -1.065 1.00 0.00 H new ATOM 0 HA LYS A 77 -10.191 -7.201 0.155 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -10.952 -5.907 -2.117 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -9.756 -7.030 -2.733 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -12.280 -7.703 -1.186 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -11.952 -8.035 -2.875 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -10.205 -9.679 -2.220 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -10.510 -9.337 -0.528 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -11.697 -11.357 -1.058 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -12.896 -10.097 -0.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -13.404 -11.485 -2.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -13.074 -9.904 -3.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -11.913 -11.126 -3.445 1.00 0.00 H new ATOM 1302 N VAL A 78 -7.809 -8.150 0.168 1.00 0.00 N ATOM 1303 CA VAL A 78 -6.566 -8.898 0.034 1.00 0.00 C ATOM 1304 C VAL A 78 -6.926 -10.035 -0.906 1.00 0.00 C ATOM 1305 O VAL A 78 -7.470 -11.069 -0.508 1.00 0.00 O ATOM 1306 CB VAL A 78 -6.023 -9.415 1.380 1.00 0.00 C ATOM 1307 CG1 VAL A 78 -4.569 -9.869 1.214 1.00 0.00 C ATOM 1308 CG2 VAL A 78 -6.078 -8.377 2.515 1.00 0.00 C ATOM 0 H VAL A 78 -8.333 -8.369 1.015 1.00 0.00 H new ATOM 0 HA VAL A 78 -5.758 -8.273 -0.346 1.00 0.00 H new ATOM 0 HB VAL A 78 -6.673 -10.243 1.663 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -4.190 -10.234 2.169 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -4.520 -10.669 0.475 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -3.961 -9.028 0.880 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -5.679 -8.816 3.429 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -5.483 -7.506 2.241 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -7.112 -8.073 2.680 1.00 0.00 H new ATOM 1318 N LEU A 79 -6.724 -9.780 -2.190 1.00 0.00 N ATOM 1319 CA LEU A 79 -7.036 -10.752 -3.213 1.00 0.00 C ATOM 1320 C LEU A 79 -6.019 -11.882 -3.122 1.00 0.00 C ATOM 1321 O LEU A 79 -6.393 -13.036 -3.295 1.00 0.00 O ATOM 1322 CB LEU A 79 -7.078 -10.063 -4.584 1.00 0.00 C ATOM 1323 CG LEU A 79 -8.247 -9.059 -4.678 1.00 0.00 C ATOM 1324 CD1 LEU A 79 -8.043 -8.105 -5.846 1.00 0.00 C ATOM 1325 CD2 LEU A 79 -9.607 -9.742 -4.833 1.00 0.00 C ATOM 0 H LEU A 79 -6.343 -8.902 -2.544 1.00 0.00 H new ATOM 0 HA LEU A 79 -8.024 -11.190 -3.068 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -6.136 -9.544 -4.760 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -7.179 -10.815 -5.367 1.00 0.00 H new ATOM 0 HG LEU A 79 -8.250 -8.511 -3.736 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -8.878 -7.406 -5.895 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -7.114 -7.552 -5.706 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -7.991 -8.673 -6.775 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -10.389 -8.985 -4.894 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -9.611 -10.342 -5.743 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -9.791 -10.386 -3.973 1.00 0.00 H new ATOM 1337 N GLU A 80 -4.768 -11.585 -2.757 1.00 0.00 N ATOM 1338 CA GLU A 80 -3.750 -12.591 -2.462 1.00 0.00 C ATOM 1339 C GLU A 80 -2.906 -12.088 -1.290 1.00 0.00 C ATOM 1340 O GLU A 80 -2.738 -10.870 -1.191 1.00 0.00 O ATOM 1341 CB GLU A 80 -2.873 -12.867 -3.703 1.00 0.00 C ATOM 1342 CG GLU A 80 -3.692 -13.332 -4.910 1.00 0.00 C ATOM 1343 CD GLU A 80 -2.894 -13.632 -6.177 1.00 0.00 C ATOM 1344 OE1 GLU A 80 -1.652 -13.804 -6.150 1.00 0.00 O ATOM 1345 OE2 GLU A 80 -3.574 -13.798 -7.221 1.00 0.00 O ATOM 0 H GLU A 80 -4.432 -10.627 -2.658 1.00 0.00 H new ATOM 0 HA GLU A 80 -4.226 -13.534 -2.193 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -2.327 -11.961 -3.966 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -2.131 -13.627 -3.457 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -4.242 -14.230 -4.628 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -4.431 -12.565 -5.141 1.00 0.00 H new ATOM 1352 N PRO A 81 -2.400 -12.983 -0.415 1.00 0.00 N ATOM 1353 CA PRO A 81 -1.839 -12.653 0.895 1.00 0.00 C ATOM 1354 C PRO A 81 -0.615 -11.760 0.752 1.00 0.00 C ATOM 1355 O PRO A 81 0.495 -12.231 0.490 1.00 0.00 O ATOM 1356 CB PRO A 81 -1.524 -13.978 1.594 1.00 0.00 C ATOM 1357 CG PRO A 81 -1.420 -14.972 0.446 1.00 0.00 C ATOM 1358 CD PRO A 81 -2.346 -14.422 -0.629 1.00 0.00 C ATOM 0 HA PRO A 81 -2.547 -12.083 1.497 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -0.595 -13.921 2.161 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -2.309 -14.257 2.296 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -0.395 -15.051 0.083 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -1.726 -15.971 0.758 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -1.969 -14.654 -1.625 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -3.339 -14.865 -0.553 1.00 0.00 H new ATOM 1366 N VAL A 82 -0.850 -10.458 0.857 1.00 0.00 N ATOM 1367 CA VAL A 82 0.121 -9.450 0.493 1.00 0.00 C ATOM 1368 C VAL A 82 1.148 -9.331 1.609 1.00 0.00 C ATOM 1369 O VAL A 82 0.804 -9.447 2.787 1.00 0.00 O ATOM 1370 CB VAL A 82 -0.633 -8.145 0.161 1.00 0.00 C ATOM 1371 CG1 VAL A 82 -1.251 -7.488 1.404 1.00 0.00 C ATOM 1372 CG2 VAL A 82 0.253 -7.135 -0.579 1.00 0.00 C ATOM 0 H VAL A 82 -1.730 -10.075 1.201 1.00 0.00 H new ATOM 0 HA VAL A 82 0.685 -9.714 -0.402 1.00 0.00 H new ATOM 0 HB VAL A 82 -1.446 -8.440 -0.503 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -1.769 -6.574 1.113 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -1.960 -8.176 1.865 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -0.463 -7.247 2.118 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -0.322 -6.233 -0.791 1.00 0.00 H new ATOM 0 HG22 VAL A 82 1.112 -6.880 0.042 1.00 0.00 H new ATOM 0 HG23 VAL A 82 0.600 -7.572 -1.515 1.00 0.00 H new ATOM 1382 N ARG A 83 2.391 -9.031 1.246 1.00 0.00 N ATOM 1383 CA ARG A 83 3.438 -8.660 2.182 1.00 0.00 C ATOM 1384 C ARG A 83 4.019 -7.356 1.662 1.00 0.00 C ATOM 1385 O ARG A 83 4.527 -7.291 0.538 1.00 0.00 O ATOM 1386 CB ARG A 83 4.445 -9.818 2.336 1.00 0.00 C ATOM 1387 CG ARG A 83 4.663 -10.192 3.814 1.00 0.00 C ATOM 1388 CD ARG A 83 5.274 -11.589 3.918 1.00 0.00 C ATOM 1389 NE ARG A 83 5.654 -11.971 5.289 1.00 0.00 N ATOM 1390 CZ ARG A 83 5.103 -12.959 6.010 1.00 0.00 C ATOM 1391 NH1 ARG A 83 4.008 -13.598 5.617 1.00 0.00 N ATOM 1392 NH2 ARG A 83 5.670 -13.313 7.153 1.00 0.00 N ATOM 0 H ARG A 83 2.701 -9.040 0.274 1.00 0.00 H new ATOM 0 HA ARG A 83 3.078 -8.491 3.197 1.00 0.00 H new ATOM 0 HB2 ARG A 83 4.084 -10.689 1.790 1.00 0.00 H new ATOM 0 HB3 ARG A 83 5.397 -9.534 1.888 1.00 0.00 H new ATOM 0 HG2 ARG A 83 5.320 -9.463 4.288 1.00 0.00 H new ATOM 0 HG3 ARG A 83 3.714 -10.161 4.349 1.00 0.00 H new ATOM 0 HD2 ARG A 83 4.560 -12.317 3.533 1.00 0.00 H new ATOM 0 HD3 ARG A 83 6.156 -11.638 3.279 1.00 0.00 H new ATOM 0 HE ARG A 83 6.403 -11.437 5.729 1.00 0.00 H new ATOM 0 HH11 ARG A 83 3.556 -13.343 4.739 1.00 0.00 H new ATOM 0 HH12 ARG A 83 3.619 -14.344 6.193 1.00 0.00 H new ATOM 0 HH21 ARG A 83 6.513 -12.836 7.473 1.00 0.00 H new ATOM 0 HH22 ARG A 83 5.264 -14.062 7.713 1.00 0.00 H new ATOM 1406 N LYS A 84 3.841 -6.276 2.426 1.00 0.00 N ATOM 1407 CA LYS A 84 4.325 -4.949 2.058 1.00 0.00 C ATOM 1408 C LYS A 84 5.069 -4.340 3.228 1.00 0.00 C ATOM 1409 O LYS A 84 4.685 -4.523 4.383 1.00 0.00 O ATOM 1410 CB LYS A 84 3.180 -4.066 1.525 1.00 0.00 C ATOM 1411 CG LYS A 84 2.390 -3.178 2.500 1.00 0.00 C ATOM 1412 CD LYS A 84 1.624 -3.944 3.579 1.00 0.00 C ATOM 1413 CE LYS A 84 0.183 -3.434 3.730 1.00 0.00 C ATOM 1414 NZ LYS A 84 -0.127 -2.854 5.054 1.00 0.00 N ATOM 0 H LYS A 84 3.354 -6.301 3.322 1.00 0.00 H new ATOM 0 HA LYS A 84 5.033 -5.029 1.234 1.00 0.00 H new ATOM 0 HB2 LYS A 84 3.600 -3.415 0.758 1.00 0.00 H new ATOM 0 HB3 LYS A 84 2.465 -4.723 1.029 1.00 0.00 H new ATOM 0 HG2 LYS A 84 3.081 -2.488 2.984 1.00 0.00 H new ATOM 0 HG3 LYS A 84 1.683 -2.574 1.930 1.00 0.00 H new ATOM 0 HD2 LYS A 84 1.609 -5.005 3.330 1.00 0.00 H new ATOM 0 HD3 LYS A 84 2.145 -3.848 4.532 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -0.004 -2.681 2.965 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -0.503 -4.259 3.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -0.966 -2.244 4.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -0.315 -3.619 5.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 0.682 -2.290 5.384 1.00 0.00 H new ATOM 1428 N HIS A 85 6.172 -3.669 2.949 1.00 0.00 N ATOM 1429 CA HIS A 85 6.869 -2.870 3.938 1.00 0.00 C ATOM 1430 C HIS A 85 6.111 -1.541 3.973 1.00 0.00 C ATOM 1431 O HIS A 85 6.088 -0.862 2.942 1.00 0.00 O ATOM 1432 CB HIS A 85 8.324 -2.659 3.478 1.00 0.00 C ATOM 1433 CG HIS A 85 9.274 -3.732 3.940 1.00 0.00 C ATOM 1434 ND1 HIS A 85 10.085 -4.534 3.159 1.00 0.00 N ATOM 1435 CD2 HIS A 85 9.509 -4.051 5.247 1.00 0.00 C ATOM 1436 CE1 HIS A 85 10.741 -5.361 3.994 1.00 0.00 C ATOM 1437 NE2 HIS A 85 10.425 -5.103 5.262 1.00 0.00 N ATOM 0 H HIS A 85 6.610 -3.663 2.028 1.00 0.00 H new ATOM 0 HA HIS A 85 6.901 -3.337 4.922 1.00 0.00 H new ATOM 0 HB2 HIS A 85 8.347 -2.612 2.389 1.00 0.00 H new ATOM 0 HB3 HIS A 85 8.674 -1.695 3.846 1.00 0.00 H new ATOM 0 HD1 HIS A 85 10.170 -4.505 2.143 1.00 0.00 H new ATOM 0 HD2 HIS A 85 9.067 -3.576 6.110 1.00 0.00 H new ATOM 0 HE1 HIS A 85 11.431 -6.130 3.679 1.00 0.00 H new ATOM 1445 N TYR A 86 5.457 -1.182 5.082 1.00 0.00 N ATOM 1446 CA TYR A 86 4.802 0.129 5.229 1.00 0.00 C ATOM 1447 C TYR A 86 5.667 1.053 6.088 1.00 0.00 C ATOM 1448 O TYR A 86 6.561 0.572 6.778 1.00 0.00 O ATOM 1449 CB TYR A 86 3.390 -0.012 5.824 1.00 0.00 C ATOM 1450 CG TYR A 86 3.326 -0.391 7.294 1.00 0.00 C ATOM 1451 CD1 TYR A 86 3.597 -1.708 7.717 1.00 0.00 C ATOM 1452 CD2 TYR A 86 2.993 0.594 8.244 1.00 0.00 C ATOM 1453 CE1 TYR A 86 3.554 -2.034 9.084 1.00 0.00 C ATOM 1454 CE2 TYR A 86 2.952 0.278 9.611 1.00 0.00 C ATOM 1455 CZ TYR A 86 3.236 -1.037 10.037 1.00 0.00 C ATOM 1456 OH TYR A 86 3.211 -1.340 11.364 1.00 0.00 O ATOM 0 H TYR A 86 5.365 -1.785 5.900 1.00 0.00 H new ATOM 0 HA TYR A 86 4.694 0.570 4.238 1.00 0.00 H new ATOM 0 HB2 TYR A 86 2.863 0.933 5.689 1.00 0.00 H new ATOM 0 HB3 TYR A 86 2.848 -0.764 5.251 1.00 0.00 H new ATOM 0 HD1 TYR A 86 3.838 -2.469 6.989 1.00 0.00 H new ATOM 0 HD2 TYR A 86 2.768 1.599 7.919 1.00 0.00 H new ATOM 0 HE1 TYR A 86 3.763 -3.043 9.406 1.00 0.00 H new ATOM 0 HE2 TYR A 86 2.704 1.040 10.335 1.00 0.00 H new ATOM 0 HH TYR A 86 2.976 -0.539 11.878 1.00 0.00 H new ATOM 1466 N ASN A 87 5.401 2.362 6.091 1.00 0.00 N ATOM 1467 CA ASN A 87 5.902 3.276 7.112 1.00 0.00 C ATOM 1468 C ASN A 87 4.943 4.452 7.269 1.00 0.00 C ATOM 1469 O ASN A 87 4.292 4.835 6.295 1.00 0.00 O ATOM 1470 CB ASN A 87 7.300 3.806 6.755 1.00 0.00 C ATOM 1471 CG ASN A 87 8.086 4.208 8.000 1.00 0.00 C ATOM 1472 OD1 ASN A 87 7.684 3.957 9.137 1.00 0.00 O ATOM 1473 ND2 ASN A 87 9.242 4.817 7.821 1.00 0.00 N ATOM 0 H ASN A 87 4.828 2.817 5.380 1.00 0.00 H new ATOM 0 HA ASN A 87 5.973 2.723 8.049 1.00 0.00 H new ATOM 0 HB2 ASN A 87 7.851 3.041 6.208 1.00 0.00 H new ATOM 0 HB3 ASN A 87 7.205 4.665 6.091 1.00 0.00 H new ATOM 0 HD21 ASN A 87 9.809 5.083 8.626 1.00 0.00 H new ATOM 0 HD22 ASN A 87 9.570 5.022 6.877 1.00 0.00 H new ATOM 1480 N LEU A 88 4.877 5.035 8.467 1.00 0.00 N ATOM 1481 CA LEU A 88 3.928 6.089 8.832 1.00 0.00 C ATOM 1482 C LEU A 88 4.690 7.412 8.970 1.00 0.00 C ATOM 1483 O LEU A 88 5.854 7.381 9.390 1.00 0.00 O ATOM 1484 CB LEU A 88 3.244 5.744 10.171 1.00 0.00 C ATOM 1485 CG LEU A 88 2.612 4.341 10.300 1.00 0.00 C ATOM 1486 CD1 LEU A 88 2.142 4.149 11.749 1.00 0.00 C ATOM 1487 CD2 LEU A 88 1.418 4.097 9.375 1.00 0.00 C ATOM 0 H LEU A 88 5.500 4.780 9.233 1.00 0.00 H new ATOM 0 HA LEU A 88 3.164 6.176 8.060 1.00 0.00 H new ATOM 0 HB2 LEU A 88 3.981 5.857 10.966 1.00 0.00 H new ATOM 0 HB3 LEU A 88 2.464 6.484 10.352 1.00 0.00 H new ATOM 0 HG LEU A 88 3.384 3.629 10.008 1.00 0.00 H new ATOM 0 HD11 LEU A 88 1.692 3.162 11.858 1.00 0.00 H new ATOM 0 HD12 LEU A 88 2.995 4.236 12.423 1.00 0.00 H new ATOM 0 HD13 LEU A 88 1.405 4.913 11.997 1.00 0.00 H new ATOM 0 HD21 LEU A 88 1.037 3.088 9.532 1.00 0.00 H new ATOM 0 HD22 LEU A 88 0.633 4.820 9.596 1.00 0.00 H new ATOM 0 HD23 LEU A 88 1.733 4.209 8.337 1.00 0.00 H new ATOM 1499 N PHE A 89 4.053 8.545 8.634 1.00 0.00 N ATOM 1500 CA PHE A 89 4.610 9.896 8.686 1.00 0.00 C ATOM 1501 C PHE A 89 3.518 10.927 8.374 1.00 0.00 C ATOM 1502 O PHE A 89 3.862 12.081 8.029 1.00 0.00 O ATOM 1503 CB PHE A 89 5.808 10.048 7.722 1.00 0.00 C ATOM 1504 CG PHE A 89 5.519 9.988 6.227 1.00 0.00 C ATOM 1505 CD1 PHE A 89 4.886 8.871 5.643 1.00 0.00 C ATOM 1506 CD2 PHE A 89 5.922 11.053 5.400 1.00 0.00 C ATOM 1507 CE1 PHE A 89 4.606 8.855 4.268 1.00 0.00 C ATOM 1508 CE2 PHE A 89 5.676 11.016 4.016 1.00 0.00 C ATOM 1509 CZ PHE A 89 5.003 9.923 3.450 1.00 0.00 C ATOM 0 H PHE A 89 3.088 8.538 8.303 1.00 0.00 H new ATOM 0 HA PHE A 89 4.981 10.075 9.695 1.00 0.00 H new ATOM 0 HB2 PHE A 89 6.291 11.002 7.933 1.00 0.00 H new ATOM 0 HB3 PHE A 89 6.530 9.266 7.957 1.00 0.00 H new ATOM 0 HD1 PHE A 89 4.616 8.024 6.257 1.00 0.00 H new ATOM 0 HD2 PHE A 89 6.424 11.906 5.832 1.00 0.00 H new ATOM 0 HE1 PHE A 89 4.082 8.015 3.837 1.00 0.00 H new ATOM 0 HE2 PHE A 89 6.006 11.830 3.388 1.00 0.00 H new ATOM 0 HZ PHE A 89 4.792 9.904 2.391 1.00 0.00 H new