USER MOD reduce.3.24.130724 H: found=0, std=0, add=759, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 759 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 60 MET CE :methyl 157:sc= -0.379 (180deg=-1.3) USER MOD Set 1.2: A 88 THR OG1 : rot -159:sc= -0.467 USER MOD Set 2.1: A 22 SER OG : rot -148:sc= 0.868 USER MOD Set 2.2: A 40 SER OG : rot 141:sc= 0.146 USER MOD Single : A 4 GLN : amide:sc= -0.375 X(o=-0.37,f=-0.84) USER MOD Single : A 5 HIS : no HD1:sc= -0.609 X(o=-0.61,f=-0.86) USER MOD Single : A 6 THR OG1 : rot 3:sc= 0.66 USER MOD Single : A 8 THR OG1 : rot 32:sc= 0.343 USER MOD Single : A -1 HIS : no HD1:sc= -0.0329 X(o=-0.033,f=-0.23) USER MOD Single : A -3 SER OG : rot 180:sc= 0 USER MOD Single : A -7 GLY N :NH3+ 133:sc= 0.0271 (180deg=0) USER MOD Single : A 10 HIS :FLIP no HD1:sc= -0.154 F(o=-0.78,f=-0.15) USER MOD Single : A 27 ASN : amide:sc= -1.72! C(o=-1.7!,f=-1.7!) USER MOD Single : A 29 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0.0669 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.0303 USER MOD Single : A 36 SER OG : rot 35:sc= -1.02 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN : amide:sc= -0.177 X(o=-0.18,f=0) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 55 ASN : amide:sc= -0.132 X(o=-0.13,f=-0.05) USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 MET CE :methyl 165:sc= -6.47! (180deg=-7.45!) USER MOD Single : A 68 ASN :FLIP amide:sc= -0.734 F(o=-1.6,f=-0.73) USER MOD Single : A 71 HIS : no HD1:sc= -0.0572 X(o=-0.057,f=-0.0034) USER MOD Single : A 76 GLN : amide:sc= -0.847 K(o=-0.85,f=-3.3!) USER MOD Single : A 77 GLN :FLIP amide:sc= -4.78! C(o=-5.4!,f=-4.8!) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 SER OG : rot 100:sc= -1.1 USER MOD Single : A 83 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0265) USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=-0.00088) USER MOD Single : A 86 LYS NZ :NH3+ -124:sc= -0.106 (180deg=-1.03) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -7 6.237 17.952 -14.534 1.00 0.00 N ATOM 2 CA GLY A -7 6.640 18.311 -15.922 1.00 0.00 C ATOM 3 C GLY A -7 6.456 19.788 -16.216 1.00 0.00 C ATOM 4 O GLY A -7 5.589 20.436 -15.628 1.00 0.00 O ATOM 0 H1 GLY A -7 5.638 17.102 -14.555 1.00 0.00 H new ATOM 0 H2 GLY A -7 7.086 17.763 -13.964 1.00 0.00 H new ATOM 0 H3 GLY A -7 5.705 18.740 -14.112 1.00 0.00 H new ATOM 0 HA2 GLY A -7 7.685 18.041 -16.075 1.00 0.00 H new ATOM 0 HA3 GLY A -7 6.052 17.727 -16.630 1.00 0.00 H new ATOM 10 N PRO A -6 7.262 20.355 -17.129 1.00 0.00 N ATOM 11 CA PRO A -6 7.172 21.773 -17.491 1.00 0.00 C ATOM 12 C PRO A -6 5.908 22.089 -18.284 1.00 0.00 C ATOM 13 O PRO A -6 5.582 21.402 -19.252 1.00 0.00 O ATOM 14 CB PRO A -6 8.414 22.000 -18.356 1.00 0.00 C ATOM 15 CG PRO A -6 8.727 20.660 -18.926 1.00 0.00 C ATOM 16 CD PRO A -6 8.325 19.659 -17.879 1.00 0.00 C ATOM 0 HA PRO A -6 7.126 22.415 -16.611 1.00 0.00 H new ATOM 0 HB2 PRO A -6 8.221 22.730 -19.142 1.00 0.00 H new ATOM 0 HB3 PRO A -6 9.245 22.382 -17.763 1.00 0.00 H new ATOM 0 HG2 PRO A -6 8.181 20.494 -19.854 1.00 0.00 H new ATOM 0 HG3 PRO A -6 9.788 20.574 -19.161 1.00 0.00 H new ATOM 0 HD2 PRO A -6 7.961 18.734 -18.326 1.00 0.00 H new ATOM 0 HD3 PRO A -6 9.163 19.393 -17.235 1.00 0.00 H new ATOM 24 N LEU A -5 5.199 23.133 -17.865 1.00 0.00 N ATOM 25 CA LEU A -5 3.969 23.540 -18.537 1.00 0.00 C ATOM 26 C LEU A -5 2.932 22.423 -18.498 1.00 0.00 C ATOM 27 O LEU A -5 2.127 22.278 -19.419 1.00 0.00 O ATOM 28 CB LEU A -5 4.261 23.931 -19.986 1.00 0.00 C ATOM 29 CG LEU A -5 4.730 25.373 -20.186 1.00 0.00 C ATOM 30 CD1 LEU A -5 5.778 25.447 -21.286 1.00 0.00 C ATOM 31 CD2 LEU A -5 3.550 26.277 -20.511 1.00 0.00 C ATOM 0 H LEU A -5 5.454 23.712 -17.065 1.00 0.00 H new ATOM 0 HA LEU A -5 3.565 24.404 -18.009 1.00 0.00 H new ATOM 0 HB2 LEU A -5 5.023 23.259 -20.381 1.00 0.00 H new ATOM 0 HB3 LEU A -5 3.359 23.773 -20.578 1.00 0.00 H new ATOM 0 HG LEU A -5 5.183 25.719 -19.257 1.00 0.00 H new ATOM 0 HD11 LEU A -5 6.099 26.481 -21.414 1.00 0.00 H new ATOM 0 HD12 LEU A -5 6.635 24.831 -21.014 1.00 0.00 H new ATOM 0 HD13 LEU A -5 5.351 25.082 -22.220 1.00 0.00 H new ATOM 0 HD21 LEU A -5 3.902 27.299 -20.650 1.00 0.00 H new ATOM 0 HD22 LEU A -5 3.068 25.932 -21.426 1.00 0.00 H new ATOM 0 HD23 LEU A -5 2.833 26.249 -19.690 1.00 0.00 H new ATOM 43 N GLY A -4 2.956 21.636 -17.428 1.00 0.00 N ATOM 44 CA GLY A -4 2.012 20.543 -17.290 1.00 0.00 C ATOM 45 C GLY A -4 1.769 20.165 -15.842 1.00 0.00 C ATOM 46 O GLY A -4 2.188 20.877 -14.930 1.00 0.00 O ATOM 0 H GLY A -4 3.612 21.736 -16.654 1.00 0.00 H new ATOM 0 HA2 GLY A -4 1.066 20.824 -17.753 1.00 0.00 H new ATOM 0 HA3 GLY A -4 2.386 19.674 -17.831 1.00 0.00 H new ATOM 50 N SER A -3 1.089 19.044 -15.631 1.00 0.00 N ATOM 51 CA SER A -3 0.790 18.573 -14.284 1.00 0.00 C ATOM 52 C SER A -3 1.970 17.801 -13.703 1.00 0.00 C ATOM 53 O SER A -3 2.793 17.258 -14.441 1.00 0.00 O ATOM 54 CB SER A -3 -0.458 17.689 -14.295 1.00 0.00 C ATOM 55 OG SER A -3 -1.592 18.412 -14.738 1.00 0.00 O ATOM 0 H SER A -3 0.734 18.444 -16.376 1.00 0.00 H new ATOM 0 HA SER A -3 0.604 19.443 -13.655 1.00 0.00 H new ATOM 0 HB2 SER A -3 -0.293 16.830 -14.946 1.00 0.00 H new ATOM 0 HB3 SER A -3 -0.640 17.299 -13.293 1.00 0.00 H new ATOM 0 HG SER A -3 -2.376 17.824 -14.737 1.00 0.00 H new ATOM 61 N ASP A -2 2.047 17.756 -12.377 1.00 0.00 N ATOM 62 CA ASP A -2 3.127 17.050 -11.697 1.00 0.00 C ATOM 63 C ASP A -2 2.590 15.850 -10.924 1.00 0.00 C ATOM 64 O ASP A -2 1.415 15.502 -11.037 1.00 0.00 O ATOM 65 CB ASP A -2 3.864 17.995 -10.747 1.00 0.00 C ATOM 66 CG ASP A -2 4.332 19.261 -11.439 1.00 0.00 C ATOM 67 OD1 ASP A -2 3.484 20.136 -11.714 1.00 0.00 O ATOM 68 OD2 ASP A -2 5.547 19.376 -11.706 1.00 0.00 O ATOM 0 H ASP A -2 1.374 18.200 -11.752 1.00 0.00 H new ATOM 0 HA ASP A -2 3.825 16.690 -12.453 1.00 0.00 H new ATOM 0 HB2 ASP A -2 3.206 18.259 -9.919 1.00 0.00 H new ATOM 0 HB3 ASP A -2 4.724 17.479 -10.320 1.00 0.00 H new ATOM 73 N HIS A -1 3.457 15.221 -10.138 1.00 0.00 N ATOM 74 CA HIS A -1 3.071 14.060 -9.345 1.00 0.00 C ATOM 75 C HIS A -1 2.605 12.918 -10.245 1.00 0.00 C ATOM 76 O HIS A -1 1.513 12.377 -10.065 1.00 0.00 O ATOM 77 CB HIS A -1 1.965 14.436 -8.357 1.00 0.00 C ATOM 78 CG HIS A -1 2.477 15.075 -7.103 1.00 0.00 C ATOM 79 ND1 HIS A -1 3.751 15.588 -6.985 1.00 0.00 N ATOM 80 CD2 HIS A -1 1.877 15.284 -5.907 1.00 0.00 C ATOM 81 CE1 HIS A -1 3.915 16.084 -5.772 1.00 0.00 C ATOM 82 NE2 HIS A -1 2.792 15.912 -5.098 1.00 0.00 N ATOM 0 H HIS A -1 4.433 15.496 -10.033 1.00 0.00 H new ATOM 0 HA HIS A -1 3.945 13.723 -8.787 1.00 0.00 H new ATOM 0 HB2 HIS A -1 1.269 15.118 -8.845 1.00 0.00 H new ATOM 0 HB3 HIS A -1 1.402 13.540 -8.095 1.00 0.00 H new ATOM 0 HD2 HIS A -1 0.868 15.008 -5.639 1.00 0.00 H new ATOM 0 HE1 HIS A -1 4.813 16.550 -5.396 1.00 0.00 H new ATOM 0 HE2 HIS A -1 2.631 16.199 -4.133 1.00 0.00 H new ATOM 91 N ILE A 1 3.442 12.554 -11.210 1.00 0.00 N ATOM 92 CA ILE A 1 3.120 11.475 -12.135 1.00 0.00 C ATOM 93 C ILE A 1 3.541 10.126 -11.567 1.00 0.00 C ATOM 94 O ILE A 1 4.697 9.936 -11.187 1.00 0.00 O ATOM 95 CB ILE A 1 3.803 11.680 -13.501 1.00 0.00 C ATOM 96 CG1 ILE A 1 3.576 13.108 -14.000 1.00 0.00 C ATOM 97 CG2 ILE A 1 3.281 10.670 -14.511 1.00 0.00 C ATOM 98 CD1 ILE A 1 2.119 13.445 -14.228 1.00 0.00 C ATOM 0 H ILE A 1 4.349 12.991 -11.372 1.00 0.00 H new ATOM 0 HA ILE A 1 2.039 11.489 -12.274 1.00 0.00 H new ATOM 0 HB ILE A 1 4.875 11.524 -13.382 1.00 0.00 H new ATOM 0 HG12 ILE A 1 3.993 13.808 -13.276 1.00 0.00 H new ATOM 0 HG13 ILE A 1 4.123 13.250 -14.932 1.00 0.00 H new ATOM 0 HG21 ILE A 1 3.773 10.828 -15.471 1.00 0.00 H new ATOM 0 HG22 ILE A 1 3.490 9.660 -14.157 1.00 0.00 H new ATOM 0 HG23 ILE A 1 2.205 10.797 -14.630 1.00 0.00 H new ATOM 0 HD11 ILE A 1 2.034 14.473 -14.581 1.00 0.00 H new ATOM 0 HD12 ILE A 1 1.702 12.769 -14.975 1.00 0.00 H new ATOM 0 HD13 ILE A 1 1.570 13.336 -13.293 1.00 0.00 H new ATOM 110 N TRP A 2 2.598 9.192 -11.505 1.00 0.00 N ATOM 111 CA TRP A 2 2.874 7.862 -10.977 1.00 0.00 C ATOM 112 C TRP A 2 2.643 6.790 -12.035 1.00 0.00 C ATOM 113 O TRP A 2 1.811 6.950 -12.928 1.00 0.00 O ATOM 114 CB TRP A 2 1.994 7.586 -9.755 1.00 0.00 C ATOM 115 CG TRP A 2 0.534 7.801 -10.015 1.00 0.00 C ATOM 116 CD1 TRP A 2 -0.280 7.038 -10.801 1.00 0.00 C ATOM 117 CD2 TRP A 2 -0.286 8.851 -9.488 1.00 0.00 C ATOM 118 NE1 TRP A 2 -1.556 7.548 -10.795 1.00 0.00 N ATOM 119 CE2 TRP A 2 -1.584 8.661 -9.996 1.00 0.00 C ATOM 120 CE3 TRP A 2 -0.047 9.932 -8.634 1.00 0.00 C ATOM 121 CZ2 TRP A 2 -2.640 9.512 -9.678 1.00 0.00 C ATOM 122 CZ3 TRP A 2 -1.095 10.776 -8.320 1.00 0.00 C ATOM 123 CH2 TRP A 2 -2.378 10.562 -8.842 1.00 0.00 C ATOM 0 H TRP A 2 1.636 9.332 -11.814 1.00 0.00 H new ATOM 0 HA TRP A 2 3.923 7.829 -10.681 1.00 0.00 H new ATOM 0 HB2 TRP A 2 2.150 6.558 -9.428 1.00 0.00 H new ATOM 0 HB3 TRP A 2 2.309 8.232 -8.936 1.00 0.00 H new ATOM 0 HD1 TRP A 2 0.033 6.161 -11.348 1.00 0.00 H new ATOM 0 HE1 TRP A 2 -2.352 7.161 -11.302 1.00 0.00 H new ATOM 0 HE3 TRP A 2 0.939 10.104 -8.227 1.00 0.00 H new ATOM 0 HZ2 TRP A 2 -3.630 9.348 -10.077 1.00 0.00 H new ATOM 0 HZ3 TRP A 2 -0.923 11.614 -7.661 1.00 0.00 H new ATOM 0 HH2 TRP A 2 -3.176 11.240 -8.579 1.00 0.00 H new ATOM 134 N GLU A 3 3.384 5.693 -11.921 1.00 0.00 N ATOM 135 CA GLU A 3 3.264 4.583 -12.858 1.00 0.00 C ATOM 136 C GLU A 3 2.692 3.356 -12.160 1.00 0.00 C ATOM 137 O GLU A 3 2.829 3.204 -10.946 1.00 0.00 O ATOM 138 CB GLU A 3 4.629 4.249 -13.465 1.00 0.00 C ATOM 139 CG GLU A 3 4.963 5.068 -14.701 1.00 0.00 C ATOM 140 CD GLU A 3 6.439 5.030 -15.043 1.00 0.00 C ATOM 141 OE1 GLU A 3 6.885 4.029 -15.642 1.00 0.00 O ATOM 142 OE2 GLU A 3 7.151 6.001 -14.710 1.00 0.00 O ATOM 0 H GLU A 3 4.076 5.549 -11.186 1.00 0.00 H new ATOM 0 HA GLU A 3 2.585 4.880 -13.657 1.00 0.00 H new ATOM 0 HB2 GLU A 3 5.401 4.411 -12.713 1.00 0.00 H new ATOM 0 HB3 GLU A 3 4.653 3.190 -13.724 1.00 0.00 H new ATOM 0 HG2 GLU A 3 4.388 4.693 -15.547 1.00 0.00 H new ATOM 0 HG3 GLU A 3 4.657 6.102 -14.541 1.00 0.00 H new ATOM 149 N GLN A 4 2.047 2.485 -12.926 1.00 0.00 N ATOM 150 CA GLN A 4 1.453 1.276 -12.368 1.00 0.00 C ATOM 151 C GLN A 4 2.255 0.041 -12.762 1.00 0.00 C ATOM 152 O GLN A 4 2.524 -0.188 -13.941 1.00 0.00 O ATOM 153 CB GLN A 4 0.005 1.129 -12.840 1.00 0.00 C ATOM 154 CG GLN A 4 -0.904 0.462 -11.822 1.00 0.00 C ATOM 155 CD GLN A 4 -2.354 0.435 -12.263 1.00 0.00 C ATOM 156 OE1 GLN A 4 -2.690 0.886 -13.359 1.00 0.00 O ATOM 157 NE2 GLN A 4 -3.223 -0.095 -11.411 1.00 0.00 N ATOM 0 H GLN A 4 1.922 2.592 -13.933 1.00 0.00 H new ATOM 0 HA GLN A 4 1.468 1.364 -11.282 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -0.392 2.116 -13.077 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -0.010 0.549 -13.763 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -0.562 -0.558 -11.649 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -0.827 0.990 -10.871 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -2.901 -0.457 -10.513 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -4.213 -0.140 -11.654 1.00 0.00 H new ATOM 166 N HIS A 5 2.637 -0.751 -11.765 1.00 0.00 N ATOM 167 CA HIS A 5 3.410 -1.964 -12.003 1.00 0.00 C ATOM 168 C HIS A 5 2.737 -3.175 -11.366 1.00 0.00 C ATOM 169 O HIS A 5 2.234 -3.101 -10.244 1.00 0.00 O ATOM 170 CB HIS A 5 4.828 -1.810 -11.451 1.00 0.00 C ATOM 171 CG HIS A 5 5.650 -0.795 -12.183 1.00 0.00 C ATOM 172 ND1 HIS A 5 5.356 0.552 -12.188 1.00 0.00 N ATOM 173 CD2 HIS A 5 6.766 -0.936 -12.937 1.00 0.00 C ATOM 174 CE1 HIS A 5 6.254 1.195 -12.912 1.00 0.00 C ATOM 175 NE2 HIS A 5 7.121 0.315 -13.378 1.00 0.00 N ATOM 0 H HIS A 5 2.423 -0.574 -10.784 1.00 0.00 H new ATOM 0 HA HIS A 5 3.461 -2.122 -13.080 1.00 0.00 H new ATOM 0 HB2 HIS A 5 4.771 -1.529 -10.399 1.00 0.00 H new ATOM 0 HB3 HIS A 5 5.333 -2.775 -11.496 1.00 0.00 H new ATOM 0 HD2 HIS A 5 7.281 -1.861 -13.152 1.00 0.00 H new ATOM 0 HE1 HIS A 5 6.276 2.260 -13.092 1.00 0.00 H new ATOM 0 HE2 HIS A 5 7.924 0.530 -13.969 1.00 0.00 H new ATOM 184 N THR A 6 2.734 -4.291 -12.089 1.00 0.00 N ATOM 185 CA THR A 6 2.128 -5.522 -11.597 1.00 0.00 C ATOM 186 C THR A 6 3.186 -6.602 -11.392 1.00 0.00 C ATOM 187 O THR A 6 3.884 -6.984 -12.331 1.00 0.00 O ATOM 188 CB THR A 6 1.060 -6.015 -12.575 1.00 0.00 C ATOM 189 OG1 THR A 6 1.659 -6.556 -13.740 1.00 0.00 O ATOM 190 CG2 THR A 6 0.101 -4.929 -13.013 1.00 0.00 C ATOM 0 H THR A 6 3.145 -4.367 -13.019 1.00 0.00 H new ATOM 0 HA THR A 6 1.659 -5.310 -10.636 1.00 0.00 H new ATOM 0 HB THR A 6 0.498 -6.774 -12.031 1.00 0.00 H new ATOM 0 HG1 THR A 6 2.634 -6.538 -13.645 1.00 0.00 H new ATOM 0 HG21 THR A 6 -0.630 -5.347 -13.705 1.00 0.00 H new ATOM 0 HG22 THR A 6 -0.414 -4.525 -12.141 1.00 0.00 H new ATOM 0 HG23 THR A 6 0.656 -4.132 -13.508 1.00 0.00 H new ATOM 198 N VAL A 7 3.301 -7.087 -10.160 1.00 0.00 N ATOM 199 CA VAL A 7 4.276 -8.120 -9.835 1.00 0.00 C ATOM 200 C VAL A 7 3.599 -9.350 -9.237 1.00 0.00 C ATOM 201 O VAL A 7 2.533 -9.250 -8.630 1.00 0.00 O ATOM 202 CB VAL A 7 5.339 -7.595 -8.847 1.00 0.00 C ATOM 203 CG1 VAL A 7 4.692 -7.156 -7.543 1.00 0.00 C ATOM 204 CG2 VAL A 7 6.406 -8.652 -8.595 1.00 0.00 C ATOM 0 H VAL A 7 2.731 -6.781 -9.371 1.00 0.00 H new ATOM 0 HA VAL A 7 4.765 -8.400 -10.768 1.00 0.00 H new ATOM 0 HB VAL A 7 5.821 -6.726 -9.294 1.00 0.00 H new ATOM 0 HG11 VAL A 7 5.460 -6.790 -6.861 1.00 0.00 H new ATOM 0 HG12 VAL A 7 3.974 -6.360 -7.743 1.00 0.00 H new ATOM 0 HG13 VAL A 7 4.178 -8.003 -7.089 1.00 0.00 H new ATOM 0 HG21 VAL A 7 7.146 -8.262 -7.896 1.00 0.00 H new ATOM 0 HG22 VAL A 7 5.942 -9.544 -8.173 1.00 0.00 H new ATOM 0 HG23 VAL A 7 6.894 -8.907 -9.535 1.00 0.00 H new ATOM 214 N THR A 8 4.227 -10.509 -9.416 1.00 0.00 N ATOM 215 CA THR A 8 3.687 -11.762 -8.896 1.00 0.00 C ATOM 216 C THR A 8 4.552 -12.298 -7.759 1.00 0.00 C ATOM 217 O THR A 8 5.716 -12.640 -7.960 1.00 0.00 O ATOM 218 CB THR A 8 3.595 -12.801 -10.014 1.00 0.00 C ATOM 219 OG1 THR A 8 4.851 -12.970 -10.648 1.00 0.00 O ATOM 220 CG2 THR A 8 2.584 -12.444 -11.082 1.00 0.00 C ATOM 0 H THR A 8 5.110 -10.607 -9.917 1.00 0.00 H new ATOM 0 HA THR A 8 2.688 -11.565 -8.506 1.00 0.00 H new ATOM 0 HB THR A 8 3.273 -13.721 -9.526 1.00 0.00 H new ATOM 0 HG1 THR A 8 5.569 -12.822 -9.997 1.00 0.00 H new ATOM 0 HG21 THR A 8 2.570 -13.223 -11.844 1.00 0.00 H new ATOM 0 HG22 THR A 8 1.595 -12.358 -10.632 1.00 0.00 H new ATOM 0 HG23 THR A 8 2.858 -11.494 -11.540 1.00 0.00 H new ATOM 228 N LEU A 9 3.972 -12.367 -6.565 1.00 0.00 N ATOM 229 CA LEU A 9 4.689 -12.863 -5.396 1.00 0.00 C ATOM 230 C LEU A 9 4.214 -14.261 -5.015 1.00 0.00 C ATOM 231 O LEU A 9 3.056 -14.454 -4.640 1.00 0.00 O ATOM 232 CB LEU A 9 4.503 -11.908 -4.216 1.00 0.00 C ATOM 233 CG LEU A 9 4.615 -10.422 -4.562 1.00 0.00 C ATOM 234 CD1 LEU A 9 4.159 -9.566 -3.391 1.00 0.00 C ATOM 235 CD2 LEU A 9 6.043 -10.074 -4.955 1.00 0.00 C ATOM 0 H LEU A 9 3.009 -12.086 -6.382 1.00 0.00 H new ATOM 0 HA LEU A 9 5.748 -12.918 -5.648 1.00 0.00 H new ATOM 0 HB2 LEU A 9 3.524 -12.089 -3.772 1.00 0.00 H new ATOM 0 HB3 LEU A 9 5.247 -12.145 -3.455 1.00 0.00 H new ATOM 0 HG LEU A 9 3.964 -10.215 -5.412 1.00 0.00 H new ATOM 0 HD11 LEU A 9 4.246 -8.512 -3.655 1.00 0.00 H new ATOM 0 HD12 LEU A 9 3.120 -9.797 -3.154 1.00 0.00 H new ATOM 0 HD13 LEU A 9 4.784 -9.775 -2.523 1.00 0.00 H new ATOM 0 HD21 LEU A 9 6.105 -9.013 -5.198 1.00 0.00 H new ATOM 0 HD22 LEU A 9 6.713 -10.296 -4.125 1.00 0.00 H new ATOM 0 HD23 LEU A 9 6.335 -10.663 -5.824 1.00 0.00 H new ATOM 247 N HIS A 10 5.114 -15.233 -5.112 1.00 0.00 N ATOM 248 CA HIS A 10 4.788 -16.614 -4.774 1.00 0.00 C ATOM 249 C HIS A 10 4.762 -16.810 -3.262 1.00 0.00 C ATOM 250 O HIS A 10 5.764 -16.590 -2.581 1.00 0.00 O ATOM 251 CB HIS A 10 5.801 -17.570 -5.407 1.00 0.00 C ATOM 252 CG HIS A 10 5.876 -17.462 -6.899 1.00 0.00 C ATOM 253 ND1 HIS A 10 5.963 -16.378 -7.705 1.00 0.00 N flip ATOM 254 CD2 HIS A 10 5.865 -18.559 -7.733 1.00 0.00 C flip ATOM 255 CE1 HIS A 10 6.002 -16.836 -8.999 1.00 0.00 C flip ATOM 256 NE2 HIS A 10 5.944 -18.154 -8.989 1.00 0.00 N flip ATOM 0 H HIS A 10 6.075 -15.090 -5.422 1.00 0.00 H new ATOM 0 HA HIS A 10 3.796 -16.835 -5.169 1.00 0.00 H new ATOM 0 HB2 HIS A 10 6.787 -17.372 -4.987 1.00 0.00 H new ATOM 0 HB3 HIS A 10 5.540 -18.593 -5.138 1.00 0.00 H new ATOM 0 HD2 HIS A 10 5.802 -19.588 -7.411 1.00 0.00 H new ATOM 0 HE1 HIS A 10 6.069 -16.218 -9.882 1.00 0.00 H new ATOM 0 HE2 HIS A 10 5.958 -18.758 -9.811 1.00 0.00 H new ATOM 265 N ARG A 11 3.612 -17.225 -2.741 1.00 0.00 N ATOM 266 CA ARG A 11 3.457 -17.449 -1.308 1.00 0.00 C ATOM 267 C ARG A 11 4.454 -18.488 -0.808 1.00 0.00 C ATOM 268 O ARG A 11 4.472 -19.626 -1.279 1.00 0.00 O ATOM 269 CB ARG A 11 2.030 -17.902 -0.993 1.00 0.00 C ATOM 270 CG ARG A 11 0.959 -17.032 -1.634 1.00 0.00 C ATOM 271 CD ARG A 11 0.179 -16.245 -0.593 1.00 0.00 C ATOM 272 NE ARG A 11 -0.579 -17.118 0.298 1.00 0.00 N ATOM 273 CZ ARG A 11 -1.068 -16.732 1.475 1.00 0.00 C ATOM 274 NH1 ARG A 11 -0.879 -15.490 1.904 1.00 0.00 N ATOM 275 NH2 ARG A 11 -1.748 -17.590 2.223 1.00 0.00 N ATOM 0 H ARG A 11 2.773 -17.413 -3.290 1.00 0.00 H new ATOM 0 HA ARG A 11 3.654 -16.507 -0.796 1.00 0.00 H new ATOM 0 HB2 ARG A 11 1.901 -18.930 -1.331 1.00 0.00 H new ATOM 0 HB3 ARG A 11 1.888 -17.902 0.088 1.00 0.00 H new ATOM 0 HG2 ARG A 11 1.424 -16.343 -2.339 1.00 0.00 H new ATOM 0 HG3 ARG A 11 0.274 -17.659 -2.205 1.00 0.00 H new ATOM 0 HD2 ARG A 11 0.868 -15.638 -0.006 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -0.503 -15.558 -1.094 1.00 0.00 H new ATOM 0 HE ARG A 11 -0.744 -18.080 0.002 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -0.357 -14.826 1.331 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -1.256 -15.199 2.806 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -1.896 -18.545 1.897 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -2.123 -17.295 3.125 1.00 0.00 H new ATOM 289 N ALA A 12 5.282 -18.089 0.153 1.00 0.00 N ATOM 290 CA ALA A 12 6.283 -18.984 0.722 1.00 0.00 C ATOM 291 C ALA A 12 5.972 -19.294 2.183 1.00 0.00 C ATOM 292 O ALA A 12 5.245 -18.550 2.841 1.00 0.00 O ATOM 293 CB ALA A 12 7.671 -18.373 0.593 1.00 0.00 C ATOM 0 H ALA A 12 5.279 -17.151 0.554 1.00 0.00 H new ATOM 0 HA ALA A 12 6.258 -19.921 0.165 1.00 0.00 H new ATOM 0 HB1 ALA A 12 8.409 -19.052 1.022 1.00 0.00 H new ATOM 0 HB2 ALA A 12 7.899 -18.207 -0.460 1.00 0.00 H new ATOM 0 HB3 ALA A 12 7.701 -17.422 1.125 1.00 0.00 H new ATOM 299 N PRO A 13 6.522 -20.400 2.713 1.00 0.00 N ATOM 300 CA PRO A 13 6.301 -20.803 4.105 1.00 0.00 C ATOM 301 C PRO A 13 6.716 -19.716 5.091 1.00 0.00 C ATOM 302 O PRO A 13 7.713 -19.025 4.884 1.00 0.00 O ATOM 303 CB PRO A 13 7.181 -22.049 4.274 1.00 0.00 C ATOM 304 CG PRO A 13 8.132 -22.022 3.125 1.00 0.00 C ATOM 305 CD PRO A 13 7.403 -21.340 2.003 1.00 0.00 C ATOM 0 HA PRO A 13 5.247 -20.989 4.309 1.00 0.00 H new ATOM 0 HB2 PRO A 13 7.713 -22.028 5.225 1.00 0.00 H new ATOM 0 HB3 PRO A 13 6.580 -22.958 4.265 1.00 0.00 H new ATOM 0 HG2 PRO A 13 9.043 -21.482 3.384 1.00 0.00 H new ATOM 0 HG3 PRO A 13 8.430 -23.031 2.841 1.00 0.00 H new ATOM 0 HD2 PRO A 13 8.088 -20.824 1.330 1.00 0.00 H new ATOM 0 HD3 PRO A 13 6.836 -22.048 1.399 1.00 0.00 H new ATOM 313 N GLY A 14 5.943 -19.570 6.161 1.00 0.00 N ATOM 314 CA GLY A 14 6.244 -18.563 7.162 1.00 0.00 C ATOM 315 C GLY A 14 5.289 -17.388 7.104 1.00 0.00 C ATOM 316 O GLY A 14 5.031 -16.737 8.116 1.00 0.00 O ATOM 0 H GLY A 14 5.113 -20.131 6.353 1.00 0.00 H new ATOM 0 HA2 GLY A 14 6.200 -19.015 8.153 1.00 0.00 H new ATOM 0 HA3 GLY A 14 7.264 -18.206 7.019 1.00 0.00 H new ATOM 320 N PHE A 15 4.764 -17.116 5.913 1.00 0.00 N ATOM 321 CA PHE A 15 3.830 -16.012 5.722 1.00 0.00 C ATOM 322 C PHE A 15 3.022 -16.201 4.442 1.00 0.00 C ATOM 323 O PHE A 15 1.850 -16.577 4.486 1.00 0.00 O ATOM 324 CB PHE A 15 4.583 -14.681 5.678 1.00 0.00 C ATOM 325 CG PHE A 15 4.563 -13.937 6.983 1.00 0.00 C ATOM 326 CD1 PHE A 15 3.381 -13.406 7.474 1.00 0.00 C ATOM 327 CD2 PHE A 15 5.726 -13.771 7.718 1.00 0.00 C ATOM 328 CE1 PHE A 15 3.359 -12.722 8.675 1.00 0.00 C ATOM 329 CE2 PHE A 15 5.710 -13.087 8.919 1.00 0.00 C ATOM 330 CZ PHE A 15 4.525 -12.562 9.399 1.00 0.00 C ATOM 0 H PHE A 15 4.970 -17.645 5.066 1.00 0.00 H new ATOM 0 HA PHE A 15 3.140 -16.000 6.566 1.00 0.00 H new ATOM 0 HB2 PHE A 15 5.618 -14.868 5.391 1.00 0.00 H new ATOM 0 HB3 PHE A 15 4.146 -14.051 4.903 1.00 0.00 H new ATOM 0 HD1 PHE A 15 2.467 -13.528 6.912 1.00 0.00 H new ATOM 0 HD2 PHE A 15 6.655 -14.180 7.349 1.00 0.00 H new ATOM 0 HE1 PHE A 15 2.431 -12.313 9.047 1.00 0.00 H new ATOM 0 HE2 PHE A 15 6.623 -12.963 9.482 1.00 0.00 H new ATOM 0 HZ PHE A 15 4.510 -12.028 10.338 1.00 0.00 H new ATOM 340 N GLY A 16 3.657 -15.943 3.302 1.00 0.00 N ATOM 341 CA GLY A 16 2.980 -16.095 2.027 1.00 0.00 C ATOM 342 C GLY A 16 2.968 -14.814 1.214 1.00 0.00 C ATOM 343 O GLY A 16 3.824 -14.609 0.354 1.00 0.00 O ATOM 0 H GLY A 16 4.626 -15.632 3.239 1.00 0.00 H new ATOM 0 HA2 GLY A 16 3.469 -16.881 1.452 1.00 0.00 H new ATOM 0 HA3 GLY A 16 1.954 -16.419 2.201 1.00 0.00 H new ATOM 347 N PHE A 17 1.994 -13.952 1.487 1.00 0.00 N ATOM 348 CA PHE A 17 1.871 -12.687 0.771 1.00 0.00 C ATOM 349 C PHE A 17 3.123 -11.833 0.951 1.00 0.00 C ATOM 350 O PHE A 17 3.554 -11.146 0.025 1.00 0.00 O ATOM 351 CB PHE A 17 0.642 -11.918 1.262 1.00 0.00 C ATOM 352 CG PHE A 17 0.002 -11.066 0.202 1.00 0.00 C ATOM 353 CD1 PHE A 17 -0.211 -11.564 -1.073 1.00 0.00 C ATOM 354 CD2 PHE A 17 -0.386 -9.766 0.483 1.00 0.00 C ATOM 355 CE1 PHE A 17 -0.799 -10.781 -2.048 1.00 0.00 C ATOM 356 CE2 PHE A 17 -0.975 -8.979 -0.487 1.00 0.00 C ATOM 357 CZ PHE A 17 -1.181 -9.487 -1.755 1.00 0.00 C ATOM 0 H PHE A 17 1.279 -14.106 2.198 1.00 0.00 H new ATOM 0 HA PHE A 17 1.755 -12.909 -0.290 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -0.094 -12.628 1.639 1.00 0.00 H new ATOM 0 HB3 PHE A 17 0.931 -11.284 2.100 1.00 0.00 H new ATOM 0 HD1 PHE A 17 0.086 -12.576 -1.308 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -0.226 -9.363 1.472 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -0.960 -11.181 -3.038 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -1.274 -7.968 -0.255 1.00 0.00 H new ATOM 0 HZ PHE A 17 -1.640 -8.873 -2.516 1.00 0.00 H new ATOM 367 N GLY A 18 3.704 -11.884 2.145 1.00 0.00 N ATOM 368 CA GLY A 18 4.901 -11.111 2.419 1.00 0.00 C ATOM 369 C GLY A 18 4.597 -9.762 3.042 1.00 0.00 C ATOM 370 O GLY A 18 5.453 -9.169 3.699 1.00 0.00 O ATOM 0 H GLY A 18 3.368 -12.446 2.927 1.00 0.00 H new ATOM 0 HA2 GLY A 18 5.549 -11.678 3.088 1.00 0.00 H new ATOM 0 HA3 GLY A 18 5.453 -10.962 1.491 1.00 0.00 H new ATOM 374 N ILE A 19 3.377 -9.273 2.836 1.00 0.00 N ATOM 375 CA ILE A 19 2.968 -7.985 3.382 1.00 0.00 C ATOM 376 C ILE A 19 1.539 -8.042 3.913 1.00 0.00 C ATOM 377 O ILE A 19 0.835 -9.034 3.726 1.00 0.00 O ATOM 378 CB ILE A 19 3.067 -6.868 2.326 1.00 0.00 C ATOM 379 CG1 ILE A 19 2.270 -7.248 1.075 1.00 0.00 C ATOM 380 CG2 ILE A 19 4.522 -6.598 1.974 1.00 0.00 C ATOM 381 CD1 ILE A 19 0.890 -6.630 1.027 1.00 0.00 C ATOM 0 H ILE A 19 2.656 -9.750 2.295 1.00 0.00 H new ATOM 0 HA ILE A 19 3.650 -7.759 4.202 1.00 0.00 H new ATOM 0 HB ILE A 19 2.641 -5.955 2.742 1.00 0.00 H new ATOM 0 HG12 ILE A 19 2.828 -6.940 0.191 1.00 0.00 H new ATOM 0 HG13 ILE A 19 2.175 -8.333 1.030 1.00 0.00 H new ATOM 0 HG21 ILE A 19 4.575 -5.806 1.227 1.00 0.00 H new ATOM 0 HG22 ILE A 19 5.062 -6.289 2.869 1.00 0.00 H new ATOM 0 HG23 ILE A 19 4.974 -7.505 1.574 1.00 0.00 H new ATOM 0 HD11 ILE A 19 0.383 -6.942 0.114 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.314 -6.958 1.892 1.00 0.00 H new ATOM 0 HD13 ILE A 19 0.977 -5.544 1.040 1.00 0.00 H new ATOM 393 N ALA A 20 1.117 -6.969 4.572 1.00 0.00 N ATOM 394 CA ALA A 20 -0.229 -6.894 5.129 1.00 0.00 C ATOM 395 C ALA A 20 -0.956 -5.647 4.639 1.00 0.00 C ATOM 396 O ALA A 20 -0.517 -4.523 4.883 1.00 0.00 O ATOM 397 CB ALA A 20 -0.172 -6.910 6.649 1.00 0.00 C ATOM 0 H ALA A 20 1.687 -6.139 4.734 1.00 0.00 H new ATOM 0 HA ALA A 20 -0.787 -7.766 4.788 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -1.183 -6.853 7.052 1.00 0.00 H new ATOM 0 HB2 ALA A 20 0.302 -7.832 6.986 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.407 -6.056 7.000 1.00 0.00 H new ATOM 403 N ILE A 21 -2.071 -5.852 3.945 1.00 0.00 N ATOM 404 CA ILE A 21 -2.858 -4.743 3.419 1.00 0.00 C ATOM 405 C ILE A 21 -3.696 -4.096 4.516 1.00 0.00 C ATOM 406 O ILE A 21 -3.854 -4.653 5.601 1.00 0.00 O ATOM 407 CB ILE A 21 -3.791 -5.204 2.284 1.00 0.00 C ATOM 408 CG1 ILE A 21 -4.607 -6.423 2.723 1.00 0.00 C ATOM 409 CG2 ILE A 21 -2.986 -5.520 1.031 1.00 0.00 C ATOM 410 CD1 ILE A 21 -6.059 -6.359 2.307 1.00 0.00 C ATOM 0 H ILE A 21 -2.449 -6.775 3.734 1.00 0.00 H new ATOM 0 HA ILE A 21 -2.151 -4.013 3.025 1.00 0.00 H new ATOM 0 HB ILE A 21 -4.483 -4.394 2.053 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -4.156 -7.322 2.303 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -4.552 -6.516 3.808 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -3.660 -5.844 0.238 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -2.449 -4.628 0.709 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -2.272 -6.314 1.248 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -6.576 -7.255 2.651 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -6.526 -5.478 2.749 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -6.124 -6.298 1.221 1.00 0.00 H new ATOM 422 N SER A 22 -4.231 -2.914 4.225 1.00 0.00 N ATOM 423 CA SER A 22 -5.054 -2.190 5.186 1.00 0.00 C ATOM 424 C SER A 22 -5.999 -1.226 4.476 1.00 0.00 C ATOM 425 O SER A 22 -5.593 -0.495 3.572 1.00 0.00 O ATOM 426 CB SER A 22 -4.168 -1.422 6.171 1.00 0.00 C ATOM 427 OG SER A 22 -4.670 -1.521 7.491 1.00 0.00 O ATOM 0 H SER A 22 -4.109 -2.438 3.331 1.00 0.00 H new ATOM 0 HA SER A 22 -5.652 -2.917 5.736 1.00 0.00 H new ATOM 0 HB2 SER A 22 -3.152 -1.815 6.134 1.00 0.00 H new ATOM 0 HB3 SER A 22 -4.115 -0.374 5.876 1.00 0.00 H new ATOM 0 HG SER A 22 -4.461 -0.700 7.983 1.00 0.00 H new ATOM 433 N GLY A 23 -7.262 -1.231 4.890 1.00 0.00 N ATOM 434 CA GLY A 23 -8.245 -0.353 4.283 1.00 0.00 C ATOM 435 C GLY A 23 -9.648 -0.923 4.344 1.00 0.00 C ATOM 436 O GLY A 23 -10.061 -1.466 5.369 1.00 0.00 O ATOM 0 H GLY A 23 -7.622 -1.827 5.635 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -8.226 0.613 4.788 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -7.974 -0.174 3.243 1.00 0.00 H new ATOM 440 N GLY A 24 -10.383 -0.799 3.244 1.00 0.00 N ATOM 441 CA GLY A 24 -11.741 -1.310 3.196 1.00 0.00 C ATOM 442 C GLY A 24 -12.735 -0.265 2.736 1.00 0.00 C ATOM 443 O GLY A 24 -13.052 0.670 3.471 1.00 0.00 O ATOM 0 H GLY A 24 -10.063 -0.354 2.384 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -11.780 -2.166 2.523 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -12.027 -1.669 4.185 1.00 0.00 H new ATOM 447 N ARG A 25 -13.227 -0.421 1.512 1.00 0.00 N ATOM 448 CA ARG A 25 -14.190 0.516 0.948 1.00 0.00 C ATOM 449 C ARG A 25 -15.519 0.459 1.697 1.00 0.00 C ATOM 450 O ARG A 25 -16.308 1.403 1.650 1.00 0.00 O ATOM 451 CB ARG A 25 -14.413 0.211 -0.534 1.00 0.00 C ATOM 452 CG ARG A 25 -15.403 1.148 -1.208 1.00 0.00 C ATOM 453 CD ARG A 25 -14.917 2.589 -1.182 1.00 0.00 C ATOM 454 NE ARG A 25 -15.646 3.396 -0.206 1.00 0.00 N ATOM 455 CZ ARG A 25 -16.866 3.886 -0.414 1.00 0.00 C ATOM 456 NH1 ARG A 25 -17.497 3.652 -1.559 1.00 0.00 N ATOM 457 NH2 ARG A 25 -17.458 4.611 0.526 1.00 0.00 N ATOM 0 H ARG A 25 -12.974 -1.189 0.891 1.00 0.00 H new ATOM 0 HA ARG A 25 -13.783 1.522 1.052 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -13.458 0.269 -1.056 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -14.769 -0.814 -0.635 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -15.557 0.834 -2.240 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -16.368 1.080 -0.707 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -13.853 2.608 -0.946 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -15.032 3.028 -2.173 1.00 0.00 H new ATOM 0 HE ARG A 25 -15.194 3.595 0.686 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -17.047 3.094 -2.285 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -18.432 4.030 -1.713 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -16.978 4.793 1.408 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -18.393 4.987 0.367 1.00 0.00 H new ATOM 471 N ASP A 26 -15.765 -0.653 2.386 1.00 0.00 N ATOM 472 CA ASP A 26 -17.001 -0.826 3.140 1.00 0.00 C ATOM 473 C ASP A 26 -16.799 -0.485 4.615 1.00 0.00 C ATOM 474 O ASP A 26 -17.482 -1.025 5.485 1.00 0.00 O ATOM 475 CB ASP A 26 -17.509 -2.264 2.998 1.00 0.00 C ATOM 476 CG ASP A 26 -18.706 -2.364 2.073 1.00 0.00 C ATOM 477 OD1 ASP A 26 -19.524 -1.421 2.055 1.00 0.00 O ATOM 478 OD2 ASP A 26 -18.826 -3.387 1.365 1.00 0.00 O ATOM 0 H ASP A 26 -15.125 -1.446 2.437 1.00 0.00 H new ATOM 0 HA ASP A 26 -17.744 -0.141 2.732 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -16.705 -2.895 2.618 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -17.779 -2.650 3.981 1.00 0.00 H new ATOM 483 N ASN A 27 -15.861 0.416 4.888 1.00 0.00 N ATOM 484 CA ASN A 27 -15.576 0.828 6.258 1.00 0.00 C ATOM 485 C ASN A 27 -16.606 1.847 6.741 1.00 0.00 C ATOM 486 O ASN A 27 -17.079 2.676 5.965 1.00 0.00 O ATOM 487 CB ASN A 27 -14.170 1.422 6.352 1.00 0.00 C ATOM 488 CG ASN A 27 -13.533 1.193 7.709 1.00 0.00 C ATOM 489 OD1 ASN A 27 -13.296 0.055 8.112 1.00 0.00 O ATOM 490 ND2 ASN A 27 -13.252 2.279 8.422 1.00 0.00 N ATOM 0 H ASN A 27 -15.286 0.874 4.181 1.00 0.00 H new ATOM 0 HA ASN A 27 -15.633 -0.053 6.898 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -13.540 0.981 5.579 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -14.217 2.492 6.152 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -12.822 2.188 9.343 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -13.466 3.204 8.048 1.00 0.00 H new ATOM 497 N PRO A 28 -16.967 1.801 8.037 1.00 0.00 N ATOM 498 CA PRO A 28 -17.947 2.727 8.615 1.00 0.00 C ATOM 499 C PRO A 28 -17.626 4.185 8.295 1.00 0.00 C ATOM 500 O PRO A 28 -18.516 5.034 8.269 1.00 0.00 O ATOM 501 CB PRO A 28 -17.832 2.471 10.118 1.00 0.00 C ATOM 502 CG PRO A 28 -17.349 1.066 10.224 1.00 0.00 C ATOM 503 CD PRO A 28 -16.453 0.845 9.037 1.00 0.00 C ATOM 0 HA PRO A 28 -18.948 2.563 8.217 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -17.135 3.166 10.586 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -18.793 2.599 10.617 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -16.807 0.909 11.157 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -18.184 0.365 10.219 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -15.409 1.041 9.280 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -16.509 -0.182 8.677 1.00 0.00 H new ATOM 511 N HIS A 29 -16.350 4.467 8.054 1.00 0.00 N ATOM 512 CA HIS A 29 -15.914 5.821 7.735 1.00 0.00 C ATOM 513 C HIS A 29 -15.096 5.841 6.447 1.00 0.00 C ATOM 514 O HIS A 29 -14.124 5.100 6.307 1.00 0.00 O ATOM 515 CB HIS A 29 -15.088 6.398 8.887 1.00 0.00 C ATOM 516 CG HIS A 29 -15.386 7.837 9.174 1.00 0.00 C ATOM 517 ND1 HIS A 29 -16.530 8.254 9.822 1.00 0.00 N ATOM 518 CD2 HIS A 29 -14.681 8.960 8.900 1.00 0.00 C ATOM 519 CE1 HIS A 29 -16.517 9.571 9.932 1.00 0.00 C ATOM 520 NE2 HIS A 29 -15.405 10.023 9.382 1.00 0.00 N ATOM 0 H HIS A 29 -15.600 3.776 8.074 1.00 0.00 H new ATOM 0 HA HIS A 29 -16.802 6.437 7.589 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -15.273 5.811 9.786 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -14.029 6.295 8.651 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -13.727 9.011 8.396 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -17.285 10.174 10.393 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -15.128 11.003 9.324 1.00 0.00 H new ATOM 529 N PHE A 30 -15.499 6.693 5.511 1.00 0.00 N ATOM 530 CA PHE A 30 -14.805 6.810 4.234 1.00 0.00 C ATOM 531 C PHE A 30 -14.531 8.271 3.894 1.00 0.00 C ATOM 532 O PHE A 30 -15.177 9.174 4.426 1.00 0.00 O ATOM 533 CB PHE A 30 -15.630 6.162 3.121 1.00 0.00 C ATOM 534 CG PHE A 30 -17.070 6.588 3.117 1.00 0.00 C ATOM 535 CD1 PHE A 30 -17.944 6.130 4.091 1.00 0.00 C ATOM 536 CD2 PHE A 30 -17.550 7.445 2.139 1.00 0.00 C ATOM 537 CE1 PHE A 30 -19.270 6.520 4.089 1.00 0.00 C ATOM 538 CE2 PHE A 30 -18.875 7.838 2.134 1.00 0.00 C ATOM 539 CZ PHE A 30 -19.736 7.375 3.109 1.00 0.00 C ATOM 0 H PHE A 30 -16.303 7.313 5.613 1.00 0.00 H new ATOM 0 HA PHE A 30 -13.850 6.291 4.320 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -15.184 6.409 2.158 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -15.580 5.078 3.227 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -17.585 5.461 4.859 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -16.882 7.809 1.373 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -19.941 6.157 4.853 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -19.237 8.507 1.367 1.00 0.00 H new ATOM 0 HZ PHE A 30 -20.772 7.681 3.106 1.00 0.00 H new ATOM 549 N GLN A 31 -13.570 8.497 3.004 1.00 0.00 N ATOM 550 CA GLN A 31 -13.210 9.850 2.594 1.00 0.00 C ATOM 551 C GLN A 31 -12.817 9.885 1.120 1.00 0.00 C ATOM 552 O GLN A 31 -12.200 8.950 0.610 1.00 0.00 O ATOM 553 CB GLN A 31 -12.062 10.379 3.454 1.00 0.00 C ATOM 554 CG GLN A 31 -12.197 11.851 3.812 1.00 0.00 C ATOM 555 CD GLN A 31 -10.860 12.509 4.087 1.00 0.00 C ATOM 556 OE1 GLN A 31 -10.364 12.487 5.214 1.00 0.00 O ATOM 557 NE2 GLN A 31 -10.267 13.099 3.056 1.00 0.00 N ATOM 0 H GLN A 31 -13.027 7.761 2.553 1.00 0.00 H new ATOM 0 HA GLN A 31 -14.082 10.489 2.734 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -12.008 9.794 4.372 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -11.122 10.228 2.923 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -12.695 12.375 2.996 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -12.834 11.950 4.691 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -10.714 13.093 2.139 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -9.365 13.558 3.181 1.00 0.00 H new ATOM 566 N SER A 32 -13.178 10.970 0.441 1.00 0.00 N ATOM 567 CA SER A 32 -12.862 11.126 -0.973 1.00 0.00 C ATOM 568 C SER A 32 -11.424 11.593 -1.163 1.00 0.00 C ATOM 569 O SER A 32 -10.982 12.552 -0.528 1.00 0.00 O ATOM 570 CB SER A 32 -13.824 12.123 -1.624 1.00 0.00 C ATOM 571 OG SER A 32 -14.180 13.154 -0.718 1.00 0.00 O ATOM 0 H SER A 32 -13.689 11.753 0.848 1.00 0.00 H new ATOM 0 HA SER A 32 -12.974 10.154 -1.453 1.00 0.00 H new ATOM 0 HB2 SER A 32 -13.359 12.557 -2.509 1.00 0.00 H new ATOM 0 HB3 SER A 32 -14.721 11.602 -1.958 1.00 0.00 H new ATOM 0 HG SER A 32 -14.794 13.779 -1.158 1.00 0.00 H new ATOM 577 N GLY A 33 -10.695 10.910 -2.040 1.00 0.00 N ATOM 578 CA GLY A 33 -9.313 11.270 -2.297 1.00 0.00 C ATOM 579 C GLY A 33 -8.327 10.326 -1.633 1.00 0.00 C ATOM 580 O GLY A 33 -7.135 10.624 -1.551 1.00 0.00 O ATOM 0 H GLY A 33 -11.037 10.113 -2.577 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -9.137 11.274 -3.373 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -9.134 12.285 -1.941 1.00 0.00 H new ATOM 584 N GLU A 34 -8.821 9.186 -1.157 1.00 0.00 N ATOM 585 CA GLU A 34 -7.971 8.203 -0.498 1.00 0.00 C ATOM 586 C GLU A 34 -8.754 6.931 -0.184 1.00 0.00 C ATOM 587 O GLU A 34 -8.656 6.385 0.915 1.00 0.00 O ATOM 588 CB GLU A 34 -7.385 8.788 0.788 1.00 0.00 C ATOM 589 CG GLU A 34 -8.441 9.240 1.783 1.00 0.00 C ATOM 590 CD GLU A 34 -7.850 9.984 2.964 1.00 0.00 C ATOM 591 OE1 GLU A 34 -6.737 10.534 2.822 1.00 0.00 O ATOM 592 OE2 GLU A 34 -8.499 10.018 4.030 1.00 0.00 O ATOM 0 H GLU A 34 -9.804 8.922 -1.216 1.00 0.00 H new ATOM 0 HA GLU A 34 -7.157 7.948 -1.176 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -6.748 8.041 1.261 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -6.748 9.636 0.535 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -9.160 9.883 1.276 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -8.990 8.370 2.144 1.00 0.00 H new ATOM 599 N THR A 35 -9.531 6.468 -1.156 1.00 0.00 N ATOM 600 CA THR A 35 -10.333 5.262 -0.985 1.00 0.00 C ATOM 601 C THR A 35 -9.616 4.042 -1.558 1.00 0.00 C ATOM 602 O THR A 35 -10.250 3.133 -2.094 1.00 0.00 O ATOM 603 CB THR A 35 -11.695 5.431 -1.661 1.00 0.00 C ATOM 604 OG1 THR A 35 -11.558 6.101 -2.901 1.00 0.00 O ATOM 605 CG2 THR A 35 -12.685 6.213 -0.823 1.00 0.00 C ATOM 0 H THR A 35 -9.623 6.909 -2.071 1.00 0.00 H new ATOM 0 HA THR A 35 -10.481 5.104 0.083 1.00 0.00 H new ATOM 0 HB THR A 35 -12.078 4.420 -1.798 1.00 0.00 H new ATOM 0 HG1 THR A 35 -12.439 6.198 -3.319 1.00 0.00 H new ATOM 0 HG21 THR A 35 -13.630 6.297 -1.360 1.00 0.00 H new ATOM 0 HG22 THR A 35 -12.849 5.696 0.123 1.00 0.00 H new ATOM 0 HG23 THR A 35 -12.289 7.210 -0.628 1.00 0.00 H new ATOM 613 N SER A 36 -8.293 4.028 -1.438 1.00 0.00 N ATOM 614 CA SER A 36 -7.489 2.919 -1.941 1.00 0.00 C ATOM 615 C SER A 36 -6.807 2.182 -0.794 1.00 0.00 C ATOM 616 O SER A 36 -6.496 2.777 0.238 1.00 0.00 O ATOM 617 CB SER A 36 -6.439 3.431 -2.928 1.00 0.00 C ATOM 618 OG SER A 36 -5.870 4.649 -2.481 1.00 0.00 O ATOM 0 H SER A 36 -7.754 4.773 -0.996 1.00 0.00 H new ATOM 0 HA SER A 36 -8.152 2.223 -2.455 1.00 0.00 H new ATOM 0 HB2 SER A 36 -5.655 2.683 -3.050 1.00 0.00 H new ATOM 0 HB3 SER A 36 -6.896 3.577 -3.907 1.00 0.00 H new ATOM 0 HG SER A 36 -5.805 4.640 -1.503 1.00 0.00 H new ATOM 624 N ILE A 37 -6.578 0.885 -0.976 1.00 0.00 N ATOM 625 CA ILE A 37 -5.933 0.077 0.052 1.00 0.00 C ATOM 626 C ILE A 37 -4.448 0.419 0.173 1.00 0.00 C ATOM 627 O ILE A 37 -3.792 0.740 -0.818 1.00 0.00 O ATOM 628 CB ILE A 37 -6.094 -1.433 -0.232 1.00 0.00 C ATOM 629 CG1 ILE A 37 -5.884 -2.242 1.049 1.00 0.00 C ATOM 630 CG2 ILE A 37 -5.124 -1.888 -1.315 1.00 0.00 C ATOM 631 CD1 ILE A 37 -7.165 -2.517 1.807 1.00 0.00 C ATOM 0 H ILE A 37 -6.828 0.373 -1.822 1.00 0.00 H new ATOM 0 HA ILE A 37 -6.428 0.309 0.995 1.00 0.00 H new ATOM 0 HB ILE A 37 -7.109 -1.606 -0.591 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -5.410 -3.190 0.797 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -5.194 -1.704 1.700 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -5.256 -2.954 -1.497 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -5.320 -1.336 -2.234 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -4.101 -1.700 -0.990 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -6.940 -3.095 2.704 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -7.630 -1.573 2.091 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -7.849 -3.082 1.173 1.00 0.00 H new ATOM 643 N VAL A 38 -3.927 0.344 1.394 1.00 0.00 N ATOM 644 CA VAL A 38 -2.523 0.641 1.649 1.00 0.00 C ATOM 645 C VAL A 38 -1.895 -0.432 2.531 1.00 0.00 C ATOM 646 O VAL A 38 -2.598 -1.170 3.222 1.00 0.00 O ATOM 647 CB VAL A 38 -2.354 2.013 2.328 1.00 0.00 C ATOM 648 CG1 VAL A 38 -0.882 2.389 2.415 1.00 0.00 C ATOM 649 CG2 VAL A 38 -3.140 3.079 1.580 1.00 0.00 C ATOM 0 H VAL A 38 -4.458 0.079 2.224 1.00 0.00 H new ATOM 0 HA VAL A 38 -2.018 0.660 0.683 1.00 0.00 H new ATOM 0 HB VAL A 38 -2.749 1.947 3.342 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -0.783 3.361 2.898 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -0.349 1.638 2.998 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -0.459 2.437 1.412 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -3.009 4.042 2.074 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -2.778 3.145 0.554 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -4.198 2.815 1.575 1.00 0.00 H new ATOM 659 N ILE A 39 -0.568 -0.521 2.503 1.00 0.00 N ATOM 660 CA ILE A 39 0.145 -1.510 3.301 1.00 0.00 C ATOM 661 C ILE A 39 0.236 -1.082 4.761 1.00 0.00 C ATOM 662 O ILE A 39 0.776 -0.021 5.076 1.00 0.00 O ATOM 663 CB ILE A 39 1.566 -1.752 2.760 1.00 0.00 C ATOM 664 CG1 ILE A 39 2.383 -0.459 2.803 1.00 0.00 C ATOM 665 CG2 ILE A 39 1.506 -2.303 1.342 1.00 0.00 C ATOM 666 CD1 ILE A 39 3.387 -0.416 3.934 1.00 0.00 C ATOM 0 H ILE A 39 0.033 0.079 1.937 1.00 0.00 H new ATOM 0 HA ILE A 39 -0.425 -2.437 3.233 1.00 0.00 H new ATOM 0 HB ILE A 39 2.059 -2.488 3.395 1.00 0.00 H new ATOM 0 HG12 ILE A 39 2.909 -0.340 1.856 1.00 0.00 H new ATOM 0 HG13 ILE A 39 1.703 0.388 2.899 1.00 0.00 H new ATOM 0 HG21 ILE A 39 2.518 -2.469 0.973 1.00 0.00 H new ATOM 0 HG22 ILE A 39 0.960 -3.246 1.341 1.00 0.00 H new ATOM 0 HG23 ILE A 39 0.997 -1.589 0.695 1.00 0.00 H new ATOM 0 HD11 ILE A 39 3.930 0.529 3.903 1.00 0.00 H new ATOM 0 HD12 ILE A 39 2.865 -0.504 4.887 1.00 0.00 H new ATOM 0 HD13 ILE A 39 4.090 -1.242 3.828 1.00 0.00 H new ATOM 678 N SER A 40 -0.296 -1.913 5.651 1.00 0.00 N ATOM 679 CA SER A 40 -0.274 -1.621 7.079 1.00 0.00 C ATOM 680 C SER A 40 1.087 -1.966 7.680 1.00 0.00 C ATOM 681 O SER A 40 1.783 -1.096 8.204 1.00 0.00 O ATOM 682 CB SER A 40 -1.378 -2.400 7.797 1.00 0.00 C ATOM 683 OG SER A 40 -2.338 -1.523 8.360 1.00 0.00 O ATOM 0 H SER A 40 -0.748 -2.795 5.408 1.00 0.00 H new ATOM 0 HA SER A 40 -0.450 -0.554 7.212 1.00 0.00 H new ATOM 0 HB2 SER A 40 -1.866 -3.076 7.095 1.00 0.00 H new ATOM 0 HB3 SER A 40 -0.940 -3.017 8.582 1.00 0.00 H new ATOM 0 HG SER A 40 -3.234 -1.905 8.250 1.00 0.00 H new ATOM 689 N ASP A 41 1.458 -3.239 7.599 1.00 0.00 N ATOM 690 CA ASP A 41 2.735 -3.700 8.132 1.00 0.00 C ATOM 691 C ASP A 41 3.285 -4.855 7.300 1.00 0.00 C ATOM 692 O ASP A 41 2.530 -5.579 6.651 1.00 0.00 O ATOM 693 CB ASP A 41 2.575 -4.137 9.590 1.00 0.00 C ATOM 694 CG ASP A 41 2.923 -3.030 10.566 1.00 0.00 C ATOM 695 OD1 ASP A 41 3.978 -2.388 10.384 1.00 0.00 O ATOM 696 OD2 ASP A 41 2.139 -2.805 11.512 1.00 0.00 O ATOM 0 H ASP A 41 0.892 -3.971 7.169 1.00 0.00 H new ATOM 0 HA ASP A 41 3.442 -2.872 8.084 1.00 0.00 H new ATOM 0 HB2 ASP A 41 1.547 -4.458 9.760 1.00 0.00 H new ATOM 0 HB3 ASP A 41 3.214 -5.000 9.780 1.00 0.00 H new ATOM 701 N VAL A 42 4.603 -5.020 7.321 1.00 0.00 N ATOM 702 CA VAL A 42 5.250 -6.087 6.566 1.00 0.00 C ATOM 703 C VAL A 42 6.189 -6.899 7.451 1.00 0.00 C ATOM 704 O VAL A 42 6.683 -6.409 8.467 1.00 0.00 O ATOM 705 CB VAL A 42 6.045 -5.531 5.371 1.00 0.00 C ATOM 706 CG1 VAL A 42 5.109 -4.885 4.361 1.00 0.00 C ATOM 707 CG2 VAL A 42 7.099 -4.541 5.843 1.00 0.00 C ATOM 0 H VAL A 42 5.244 -4.430 7.852 1.00 0.00 H new ATOM 0 HA VAL A 42 4.455 -6.734 6.195 1.00 0.00 H new ATOM 0 HB VAL A 42 6.555 -6.360 4.880 1.00 0.00 H new ATOM 0 HG11 VAL A 42 5.689 -4.498 3.523 1.00 0.00 H new ATOM 0 HG12 VAL A 42 4.398 -5.627 3.998 1.00 0.00 H new ATOM 0 HG13 VAL A 42 4.569 -4.067 4.837 1.00 0.00 H new ATOM 0 HG21 VAL A 42 7.650 -4.159 4.984 1.00 0.00 H new ATOM 0 HG22 VAL A 42 6.615 -3.713 6.360 1.00 0.00 H new ATOM 0 HG23 VAL A 42 7.788 -5.040 6.524 1.00 0.00 H new ATOM 717 N LEU A 43 6.433 -8.143 7.053 1.00 0.00 N ATOM 718 CA LEU A 43 7.316 -9.030 7.803 1.00 0.00 C ATOM 719 C LEU A 43 8.776 -8.775 7.445 1.00 0.00 C ATOM 720 O LEU A 43 9.668 -8.947 8.275 1.00 0.00 O ATOM 721 CB LEU A 43 6.962 -10.493 7.526 1.00 0.00 C ATOM 722 CG LEU A 43 6.689 -10.826 6.057 1.00 0.00 C ATOM 723 CD1 LEU A 43 7.506 -12.034 5.619 1.00 0.00 C ATOM 724 CD2 LEU A 43 5.205 -11.076 5.834 1.00 0.00 C ATOM 0 H LEU A 43 6.031 -8.561 6.214 1.00 0.00 H new ATOM 0 HA LEU A 43 7.178 -8.824 8.864 1.00 0.00 H new ATOM 0 HB2 LEU A 43 7.779 -11.122 7.880 1.00 0.00 H new ATOM 0 HB3 LEU A 43 6.081 -10.755 8.112 1.00 0.00 H new ATOM 0 HG LEU A 43 6.990 -9.972 5.451 1.00 0.00 H new ATOM 0 HD11 LEU A 43 7.297 -12.254 4.572 1.00 0.00 H new ATOM 0 HD12 LEU A 43 8.568 -11.819 5.740 1.00 0.00 H new ATOM 0 HD13 LEU A 43 7.239 -12.895 6.231 1.00 0.00 H new ATOM 0 HD21 LEU A 43 5.029 -11.311 4.784 1.00 0.00 H new ATOM 0 HD22 LEU A 43 4.880 -11.912 6.453 1.00 0.00 H new ATOM 0 HD23 LEU A 43 4.641 -10.184 6.105 1.00 0.00 H new ATOM 736 N LYS A 44 9.014 -8.367 6.203 1.00 0.00 N ATOM 737 CA LYS A 44 10.366 -8.091 5.734 1.00 0.00 C ATOM 738 C LYS A 44 11.219 -9.355 5.760 1.00 0.00 C ATOM 739 O LYS A 44 12.424 -9.298 6.007 1.00 0.00 O ATOM 740 CB LYS A 44 11.017 -7.004 6.592 1.00 0.00 C ATOM 741 CG LYS A 44 10.119 -5.802 6.838 1.00 0.00 C ATOM 742 CD LYS A 44 10.925 -4.516 6.952 1.00 0.00 C ATOM 743 CE LYS A 44 10.628 -3.784 8.251 1.00 0.00 C ATOM 744 NZ LYS A 44 9.543 -2.778 8.085 1.00 0.00 N ATOM 0 H LYS A 44 8.287 -8.220 5.503 1.00 0.00 H new ATOM 0 HA LYS A 44 10.301 -7.739 4.705 1.00 0.00 H new ATOM 0 HB2 LYS A 44 11.305 -7.434 7.551 1.00 0.00 H new ATOM 0 HB3 LYS A 44 11.933 -6.669 6.105 1.00 0.00 H new ATOM 0 HG2 LYS A 44 9.400 -5.711 6.024 1.00 0.00 H new ATOM 0 HG3 LYS A 44 9.546 -5.956 7.753 1.00 0.00 H new ATOM 0 HD2 LYS A 44 11.989 -4.747 6.898 1.00 0.00 H new ATOM 0 HD3 LYS A 44 10.697 -3.866 6.107 1.00 0.00 H new ATOM 0 HE2 LYS A 44 10.341 -4.505 9.017 1.00 0.00 H new ATOM 0 HE3 LYS A 44 11.532 -3.288 8.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 9.370 -2.301 8.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 9.827 -2.075 7.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 8.673 -3.254 7.773 1.00 0.00 H new ATOM 758 N GLY A 45 10.586 -10.495 5.505 1.00 0.00 N ATOM 759 CA GLY A 45 11.303 -11.757 5.505 1.00 0.00 C ATOM 760 C GLY A 45 10.795 -12.720 4.446 1.00 0.00 C ATOM 761 O GLY A 45 11.098 -13.912 4.490 1.00 0.00 O ATOM 0 H GLY A 45 9.590 -10.568 5.298 1.00 0.00 H new ATOM 0 HA2 GLY A 45 12.364 -11.568 5.339 1.00 0.00 H new ATOM 0 HA3 GLY A 45 11.212 -12.222 6.487 1.00 0.00 H new ATOM 765 N GLY A 46 10.023 -12.204 3.493 1.00 0.00 N ATOM 766 CA GLY A 46 9.491 -13.044 2.437 1.00 0.00 C ATOM 767 C GLY A 46 9.681 -12.433 1.061 1.00 0.00 C ATOM 768 O GLY A 46 10.564 -11.597 0.869 1.00 0.00 O ATOM 0 H GLY A 46 9.758 -11.221 3.434 1.00 0.00 H new ATOM 0 HA2 GLY A 46 9.980 -14.018 2.470 1.00 0.00 H new ATOM 0 HA3 GLY A 46 8.429 -13.215 2.612 1.00 0.00 H new ATOM 772 N PRO A 47 8.860 -12.832 0.075 1.00 0.00 N ATOM 773 CA PRO A 47 8.954 -12.306 -1.291 1.00 0.00 C ATOM 774 C PRO A 47 8.554 -10.837 -1.377 1.00 0.00 C ATOM 775 O PRO A 47 8.990 -10.117 -2.274 1.00 0.00 O ATOM 776 CB PRO A 47 7.968 -13.175 -2.078 1.00 0.00 C ATOM 777 CG PRO A 47 6.996 -13.664 -1.062 1.00 0.00 C ATOM 778 CD PRO A 47 7.778 -13.824 0.212 1.00 0.00 C ATOM 0 HA PRO A 47 9.975 -12.345 -1.671 1.00 0.00 H new ATOM 0 HB2 PRO A 47 7.469 -12.600 -2.858 1.00 0.00 H new ATOM 0 HB3 PRO A 47 8.477 -14.004 -2.570 1.00 0.00 H new ATOM 0 HG2 PRO A 47 6.178 -12.956 -0.932 1.00 0.00 H new ATOM 0 HG3 PRO A 47 6.552 -14.611 -1.370 1.00 0.00 H new ATOM 0 HD2 PRO A 47 7.162 -13.628 1.089 1.00 0.00 H new ATOM 0 HD3 PRO A 47 8.171 -14.835 0.318 1.00 0.00 H new ATOM 786 N ALA A 48 7.721 -10.400 -0.437 1.00 0.00 N ATOM 787 CA ALA A 48 7.262 -9.017 -0.407 1.00 0.00 C ATOM 788 C ALA A 48 7.915 -8.241 0.733 1.00 0.00 C ATOM 789 O ALA A 48 7.336 -7.293 1.263 1.00 0.00 O ATOM 790 CB ALA A 48 5.747 -8.969 -0.278 1.00 0.00 C ATOM 0 H ALA A 48 7.351 -10.984 0.313 1.00 0.00 H new ATOM 0 HA ALA A 48 7.554 -8.545 -1.345 1.00 0.00 H new ATOM 0 HB1 ALA A 48 5.416 -7.931 -0.257 1.00 0.00 H new ATOM 0 HB2 ALA A 48 5.293 -9.477 -1.129 1.00 0.00 H new ATOM 0 HB3 ALA A 48 5.444 -9.465 0.644 1.00 0.00 H new ATOM 796 N GLU A 49 9.124 -8.649 1.107 1.00 0.00 N ATOM 797 CA GLU A 49 9.852 -7.989 2.184 1.00 0.00 C ATOM 798 C GLU A 49 10.179 -6.545 1.818 1.00 0.00 C ATOM 799 O GLU A 49 10.140 -5.654 2.666 1.00 0.00 O ATOM 800 CB GLU A 49 11.140 -8.751 2.501 1.00 0.00 C ATOM 801 CG GLU A 49 11.994 -9.039 1.276 1.00 0.00 C ATOM 802 CD GLU A 49 13.301 -8.271 1.281 1.00 0.00 C ATOM 803 OE1 GLU A 49 13.260 -7.030 1.417 1.00 0.00 O ATOM 804 OE2 GLU A 49 14.366 -8.910 1.149 1.00 0.00 O ATOM 0 H GLU A 49 9.619 -9.432 0.681 1.00 0.00 H new ATOM 0 HA GLU A 49 9.214 -7.984 3.068 1.00 0.00 H new ATOM 0 HB2 GLU A 49 11.727 -8.174 3.215 1.00 0.00 H new ATOM 0 HB3 GLU A 49 10.885 -9.693 2.985 1.00 0.00 H new ATOM 0 HG2 GLU A 49 12.205 -10.107 1.228 1.00 0.00 H new ATOM 0 HG3 GLU A 49 11.431 -8.785 0.378 1.00 0.00 H new ATOM 811 N GLY A 50 10.501 -6.321 0.547 1.00 0.00 N ATOM 812 CA GLY A 50 10.831 -4.984 0.091 1.00 0.00 C ATOM 813 C GLY A 50 10.351 -4.717 -1.321 1.00 0.00 C ATOM 814 O GLY A 50 11.065 -4.116 -2.124 1.00 0.00 O ATOM 0 H GLY A 50 10.539 -7.042 -0.174 1.00 0.00 H new ATOM 0 HA2 GLY A 50 10.386 -4.253 0.767 1.00 0.00 H new ATOM 0 HA3 GLY A 50 11.911 -4.844 0.137 1.00 0.00 H new ATOM 818 N GLN A 51 9.137 -5.164 -1.625 1.00 0.00 N ATOM 819 CA GLN A 51 8.560 -4.970 -2.950 1.00 0.00 C ATOM 820 C GLN A 51 7.369 -4.020 -2.890 1.00 0.00 C ATOM 821 O GLN A 51 7.192 -3.173 -3.765 1.00 0.00 O ATOM 822 CB GLN A 51 8.129 -6.313 -3.543 1.00 0.00 C ATOM 823 CG GLN A 51 9.276 -7.109 -4.143 1.00 0.00 C ATOM 824 CD GLN A 51 9.321 -7.017 -5.656 1.00 0.00 C ATOM 825 OE1 GLN A 51 9.537 -8.014 -6.344 1.00 0.00 O ATOM 826 NE2 GLN A 51 9.116 -5.816 -6.182 1.00 0.00 N ATOM 0 H GLN A 51 8.534 -5.663 -0.971 1.00 0.00 H new ATOM 0 HA GLN A 51 9.322 -4.527 -3.591 1.00 0.00 H new ATOM 0 HB2 GLN A 51 7.653 -6.909 -2.764 1.00 0.00 H new ATOM 0 HB3 GLN A 51 7.378 -6.136 -4.313 1.00 0.00 H new ATOM 0 HG2 GLN A 51 10.219 -6.747 -3.732 1.00 0.00 H new ATOM 0 HG3 GLN A 51 9.181 -8.154 -3.849 1.00 0.00 H new ATOM 0 HE21 GLN A 51 8.940 -5.016 -5.574 1.00 0.00 H new ATOM 0 HE22 GLN A 51 9.134 -5.693 -7.194 1.00 0.00 H new ATOM 835 N LEU A 52 6.553 -4.169 -1.851 1.00 0.00 N ATOM 836 CA LEU A 52 5.377 -3.325 -1.675 1.00 0.00 C ATOM 837 C LEU A 52 5.472 -2.523 -0.381 1.00 0.00 C ATOM 838 O LEU A 52 5.667 -3.085 0.696 1.00 0.00 O ATOM 839 CB LEU A 52 4.108 -4.179 -1.667 1.00 0.00 C ATOM 840 CG LEU A 52 3.809 -4.904 -2.979 1.00 0.00 C ATOM 841 CD1 LEU A 52 4.554 -6.229 -3.039 1.00 0.00 C ATOM 842 CD2 LEU A 52 2.311 -5.125 -3.135 1.00 0.00 C ATOM 0 H LEU A 52 6.685 -4.866 -1.118 1.00 0.00 H new ATOM 0 HA LEU A 52 5.332 -2.627 -2.511 1.00 0.00 H new ATOM 0 HB2 LEU A 52 4.191 -4.919 -0.871 1.00 0.00 H new ATOM 0 HB3 LEU A 52 3.260 -3.540 -1.421 1.00 0.00 H new ATOM 0 HG LEU A 52 4.153 -4.280 -3.804 1.00 0.00 H new ATOM 0 HD11 LEU A 52 4.329 -6.731 -3.980 1.00 0.00 H new ATOM 0 HD12 LEU A 52 5.627 -6.047 -2.973 1.00 0.00 H new ATOM 0 HD13 LEU A 52 4.241 -6.860 -2.207 1.00 0.00 H new ATOM 0 HD21 LEU A 52 2.115 -5.642 -4.074 1.00 0.00 H new ATOM 0 HD22 LEU A 52 1.944 -5.729 -2.305 1.00 0.00 H new ATOM 0 HD23 LEU A 52 1.800 -4.162 -3.138 1.00 0.00 H new ATOM 854 N GLN A 53 5.333 -1.206 -0.496 1.00 0.00 N ATOM 855 CA GLN A 53 5.404 -0.327 0.665 1.00 0.00 C ATOM 856 C GLN A 53 4.519 0.901 0.472 1.00 0.00 C ATOM 857 O GLN A 53 3.956 1.109 -0.602 1.00 0.00 O ATOM 858 CB GLN A 53 6.850 0.108 0.915 1.00 0.00 C ATOM 859 CG GLN A 53 7.441 0.934 -0.217 1.00 0.00 C ATOM 860 CD GLN A 53 8.581 0.227 -0.923 1.00 0.00 C ATOM 861 OE1 GLN A 53 8.385 -0.807 -1.563 1.00 0.00 O ATOM 862 NE2 GLN A 53 9.783 0.781 -0.810 1.00 0.00 N ATOM 0 H GLN A 53 5.171 -0.725 -1.381 1.00 0.00 H new ATOM 0 HA GLN A 53 5.043 -0.881 1.531 1.00 0.00 H new ATOM 0 HB2 GLN A 53 6.892 0.688 1.837 1.00 0.00 H new ATOM 0 HB3 GLN A 53 7.466 -0.778 1.067 1.00 0.00 H new ATOM 0 HG2 GLN A 53 6.659 1.165 -0.940 1.00 0.00 H new ATOM 0 HG3 GLN A 53 7.798 1.884 0.180 1.00 0.00 H new ATOM 0 HE21 GLN A 53 9.901 1.638 -0.270 1.00 0.00 H new ATOM 0 HE22 GLN A 53 10.588 0.349 -1.263 1.00 0.00 H new ATOM 871 N GLU A 54 4.400 1.711 1.522 1.00 0.00 N ATOM 872 CA GLU A 54 3.584 2.920 1.475 1.00 0.00 C ATOM 873 C GLU A 54 3.859 3.720 0.203 1.00 0.00 C ATOM 874 O GLU A 54 2.964 4.369 -0.341 1.00 0.00 O ATOM 875 CB GLU A 54 3.853 3.788 2.707 1.00 0.00 C ATOM 876 CG GLU A 54 2.590 4.219 3.436 1.00 0.00 C ATOM 877 CD GLU A 54 2.727 4.128 4.943 1.00 0.00 C ATOM 878 OE1 GLU A 54 3.495 3.265 5.419 1.00 0.00 O ATOM 879 OE2 GLU A 54 2.066 4.921 5.648 1.00 0.00 O ATOM 0 H GLU A 54 4.860 1.550 2.418 1.00 0.00 H new ATOM 0 HA GLU A 54 2.536 2.620 1.470 1.00 0.00 H new ATOM 0 HB2 GLU A 54 4.491 3.236 3.398 1.00 0.00 H new ATOM 0 HB3 GLU A 54 4.407 4.676 2.402 1.00 0.00 H new ATOM 0 HG2 GLU A 54 2.347 5.245 3.158 1.00 0.00 H new ATOM 0 HG3 GLU A 54 1.757 3.595 3.112 1.00 0.00 H new ATOM 886 N ASN A 55 5.100 3.664 -0.267 1.00 0.00 N ATOM 887 CA ASN A 55 5.490 4.377 -1.477 1.00 0.00 C ATOM 888 C ASN A 55 4.743 3.830 -2.688 1.00 0.00 C ATOM 889 O ASN A 55 4.291 4.588 -3.546 1.00 0.00 O ATOM 890 CB ASN A 55 7.002 4.265 -1.696 1.00 0.00 C ATOM 891 CG ASN A 55 7.676 5.620 -1.785 1.00 0.00 C ATOM 892 OD1 ASN A 55 8.388 5.911 -2.745 1.00 0.00 O ATOM 893 ND2 ASN A 55 7.453 6.458 -0.778 1.00 0.00 N ATOM 0 H ASN A 55 5.852 3.133 0.171 1.00 0.00 H new ATOM 0 HA ASN A 55 5.228 5.428 -1.355 1.00 0.00 H new ATOM 0 HB2 ASN A 55 7.443 3.696 -0.878 1.00 0.00 H new ATOM 0 HB3 ASN A 55 7.193 3.706 -2.612 1.00 0.00 H new ATOM 0 HD21 ASN A 55 7.880 7.384 -0.782 1.00 0.00 H new ATOM 0 HD22 ASN A 55 6.855 6.175 -0.002 1.00 0.00 H new ATOM 900 N ASP A 56 4.613 2.508 -2.745 1.00 0.00 N ATOM 901 CA ASP A 56 3.916 1.855 -3.847 1.00 0.00 C ATOM 902 C ASP A 56 2.445 1.641 -3.504 1.00 0.00 C ATOM 903 O ASP A 56 2.065 0.590 -2.988 1.00 0.00 O ATOM 904 CB ASP A 56 4.576 0.514 -4.175 1.00 0.00 C ATOM 905 CG ASP A 56 6.083 0.626 -4.305 1.00 0.00 C ATOM 906 OD1 ASP A 56 6.723 1.146 -3.367 1.00 0.00 O ATOM 907 OD2 ASP A 56 6.622 0.195 -5.345 1.00 0.00 O ATOM 0 H ASP A 56 4.981 1.868 -2.041 1.00 0.00 H new ATOM 0 HA ASP A 56 3.979 2.504 -4.721 1.00 0.00 H new ATOM 0 HB2 ASP A 56 4.334 -0.207 -3.394 1.00 0.00 H new ATOM 0 HB3 ASP A 56 4.162 0.127 -5.106 1.00 0.00 H new ATOM 912 N ARG A 57 1.624 2.644 -3.792 1.00 0.00 N ATOM 913 CA ARG A 57 0.195 2.568 -3.511 1.00 0.00 C ATOM 914 C ARG A 57 -0.448 1.406 -4.263 1.00 0.00 C ATOM 915 O ARG A 57 -0.231 1.235 -5.462 1.00 0.00 O ATOM 916 CB ARG A 57 -0.491 3.880 -3.897 1.00 0.00 C ATOM 917 CG ARG A 57 -1.622 4.273 -2.960 1.00 0.00 C ATOM 918 CD ARG A 57 -2.981 4.088 -3.616 1.00 0.00 C ATOM 919 NE ARG A 57 -3.273 5.150 -4.576 1.00 0.00 N ATOM 920 CZ ARG A 57 -4.199 5.054 -5.528 1.00 0.00 C ATOM 921 NH1 ARG A 57 -4.923 3.949 -5.651 1.00 0.00 N ATOM 922 NH2 ARG A 57 -4.400 6.068 -6.361 1.00 0.00 N ATOM 0 H ARG A 57 1.923 3.520 -4.220 1.00 0.00 H new ATOM 0 HA ARG A 57 0.069 2.399 -2.442 1.00 0.00 H new ATOM 0 HB2 ARG A 57 0.251 4.678 -3.912 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -0.884 3.791 -4.910 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -1.570 3.671 -2.053 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -1.501 5.314 -2.659 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -3.011 3.123 -4.122 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -3.755 4.070 -2.849 1.00 0.00 H new ATOM 0 HE ARG A 57 -2.736 6.015 -4.513 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -4.772 3.167 -5.014 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -5.631 3.882 -6.382 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -3.845 6.919 -6.271 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -5.109 5.996 -7.091 1.00 0.00 H new ATOM 936 N VAL A 58 -1.241 0.612 -3.550 1.00 0.00 N ATOM 937 CA VAL A 58 -1.915 -0.531 -4.154 1.00 0.00 C ATOM 938 C VAL A 58 -3.190 -0.096 -4.870 1.00 0.00 C ATOM 939 O VAL A 58 -3.935 0.748 -4.372 1.00 0.00 O ATOM 940 CB VAL A 58 -2.269 -1.596 -3.100 1.00 0.00 C ATOM 941 CG1 VAL A 58 -2.811 -2.851 -3.766 1.00 0.00 C ATOM 942 CG2 VAL A 58 -1.056 -1.919 -2.241 1.00 0.00 C ATOM 0 H VAL A 58 -1.432 0.739 -2.556 1.00 0.00 H new ATOM 0 HA VAL A 58 -1.223 -0.964 -4.876 1.00 0.00 H new ATOM 0 HB VAL A 58 -3.048 -1.194 -2.452 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -3.055 -3.591 -3.004 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -3.709 -2.604 -4.332 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -2.058 -3.259 -4.440 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -1.324 -2.673 -1.501 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -0.254 -2.300 -2.873 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -0.720 -1.016 -1.732 1.00 0.00 H new ATOM 952 N ALA A 59 -3.432 -0.674 -6.042 1.00 0.00 N ATOM 953 CA ALA A 59 -4.616 -0.340 -6.826 1.00 0.00 C ATOM 954 C ALA A 59 -5.427 -1.585 -7.166 1.00 0.00 C ATOM 955 O ALA A 59 -6.655 -1.576 -7.093 1.00 0.00 O ATOM 956 CB ALA A 59 -4.215 0.393 -8.097 1.00 0.00 C ATOM 0 H ALA A 59 -2.826 -1.374 -6.469 1.00 0.00 H new ATOM 0 HA ALA A 59 -5.245 0.313 -6.222 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -5.107 0.637 -8.673 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -3.689 1.312 -7.837 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -3.561 -0.243 -8.693 1.00 0.00 H new ATOM 962 N MET A 60 -4.735 -2.655 -7.545 1.00 0.00 N ATOM 963 CA MET A 60 -5.396 -3.905 -7.900 1.00 0.00 C ATOM 964 C MET A 60 -4.581 -5.109 -7.440 1.00 0.00 C ATOM 965 O MET A 60 -3.361 -5.028 -7.301 1.00 0.00 O ATOM 966 CB MET A 60 -5.617 -3.971 -9.413 1.00 0.00 C ATOM 967 CG MET A 60 -6.543 -5.096 -9.846 1.00 0.00 C ATOM 968 SD MET A 60 -6.805 -5.132 -11.630 1.00 0.00 S ATOM 969 CE MET A 60 -5.329 -5.992 -12.171 1.00 0.00 C ATOM 0 H MET A 60 -3.718 -2.681 -7.614 1.00 0.00 H new ATOM 0 HA MET A 60 -6.360 -3.933 -7.393 1.00 0.00 H new ATOM 0 HB2 MET A 60 -6.030 -3.021 -9.753 1.00 0.00 H new ATOM 0 HB3 MET A 60 -4.653 -4.095 -9.907 1.00 0.00 H new ATOM 0 HG2 MET A 60 -6.124 -6.050 -9.525 1.00 0.00 H new ATOM 0 HG3 MET A 60 -7.504 -4.984 -9.344 1.00 0.00 H new ATOM 0 HE1 MET A 60 -5.510 -6.450 -13.143 1.00 0.00 H new ATOM 0 HE2 MET A 60 -4.504 -5.284 -12.251 1.00 0.00 H new ATOM 0 HE3 MET A 60 -5.073 -6.766 -11.448 1.00 0.00 H new ATOM 979 N VAL A 61 -5.264 -6.226 -7.207 1.00 0.00 N ATOM 980 CA VAL A 61 -4.603 -7.448 -6.763 1.00 0.00 C ATOM 981 C VAL A 61 -5.232 -8.678 -7.410 1.00 0.00 C ATOM 982 O VAL A 61 -6.437 -8.905 -7.296 1.00 0.00 O ATOM 983 CB VAL A 61 -4.664 -7.595 -5.230 1.00 0.00 C ATOM 984 CG1 VAL A 61 -6.107 -7.687 -4.756 1.00 0.00 C ATOM 985 CG2 VAL A 61 -3.868 -8.810 -4.777 1.00 0.00 C ATOM 0 H VAL A 61 -6.274 -6.310 -7.318 1.00 0.00 H new ATOM 0 HA VAL A 61 -3.560 -7.374 -7.070 1.00 0.00 H new ATOM 0 HB VAL A 61 -4.216 -6.708 -4.782 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -6.128 -7.790 -3.671 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -6.643 -6.783 -5.045 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -6.585 -8.554 -5.212 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -3.923 -8.897 -3.692 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -4.283 -9.708 -5.235 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -2.827 -8.696 -5.080 1.00 0.00 H new ATOM 995 N ASN A 62 -4.408 -9.472 -8.089 1.00 0.00 N ATOM 996 CA ASN A 62 -4.880 -10.682 -8.755 1.00 0.00 C ATOM 997 C ASN A 62 -6.084 -10.387 -9.646 1.00 0.00 C ATOM 998 O ASN A 62 -6.965 -11.230 -9.816 1.00 0.00 O ATOM 999 CB ASN A 62 -5.246 -11.748 -7.718 1.00 0.00 C ATOM 1000 CG ASN A 62 -4.600 -13.086 -8.013 1.00 0.00 C ATOM 1001 OD1 ASN A 62 -3.670 -13.505 -7.323 1.00 0.00 O ATOM 1002 ND2 ASN A 62 -5.091 -13.767 -9.043 1.00 0.00 N ATOM 0 H ASN A 62 -3.408 -9.298 -8.192 1.00 0.00 H new ATOM 0 HA ASN A 62 -4.073 -11.056 -9.385 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -4.938 -11.409 -6.729 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -6.329 -11.868 -7.691 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -4.696 -14.675 -9.289 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -5.863 -13.382 -9.588 1.00 0.00 H new ATOM 1009 N GLY A 63 -6.115 -9.184 -10.213 1.00 0.00 N ATOM 1010 CA GLY A 63 -7.214 -8.802 -11.080 1.00 0.00 C ATOM 1011 C GLY A 63 -8.300 -8.039 -10.345 1.00 0.00 C ATOM 1012 O GLY A 63 -9.028 -7.249 -10.947 1.00 0.00 O ATOM 0 H GLY A 63 -5.399 -8.468 -10.087 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -6.832 -8.188 -11.895 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -7.645 -9.697 -11.530 1.00 0.00 H new ATOM 1016 N VAL A 64 -8.412 -8.277 -9.041 1.00 0.00 N ATOM 1017 CA VAL A 64 -9.419 -7.606 -8.227 1.00 0.00 C ATOM 1018 C VAL A 64 -8.946 -6.221 -7.798 1.00 0.00 C ATOM 1019 O VAL A 64 -7.901 -6.080 -7.162 1.00 0.00 O ATOM 1020 CB VAL A 64 -9.766 -8.428 -6.971 1.00 0.00 C ATOM 1021 CG1 VAL A 64 -10.950 -7.814 -6.241 1.00 0.00 C ATOM 1022 CG2 VAL A 64 -10.049 -9.876 -7.343 1.00 0.00 C ATOM 0 H VAL A 64 -7.819 -8.928 -8.527 1.00 0.00 H new ATOM 0 HA VAL A 64 -10.311 -7.508 -8.846 1.00 0.00 H new ATOM 0 HB VAL A 64 -8.908 -8.411 -6.299 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -11.180 -8.408 -5.357 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -10.704 -6.796 -5.940 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -11.816 -7.797 -6.902 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -10.292 -10.442 -6.444 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -10.890 -9.916 -8.035 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -9.168 -10.309 -7.817 1.00 0.00 H new ATOM 1032 N SER A 65 -9.722 -5.200 -8.151 1.00 0.00 N ATOM 1033 CA SER A 65 -9.381 -3.826 -7.804 1.00 0.00 C ATOM 1034 C SER A 65 -9.459 -3.609 -6.296 1.00 0.00 C ATOM 1035 O SER A 65 -10.402 -4.054 -5.642 1.00 0.00 O ATOM 1036 CB SER A 65 -10.315 -2.850 -8.520 1.00 0.00 C ATOM 1037 OG SER A 65 -9.770 -2.438 -9.762 1.00 0.00 O ATOM 0 H SER A 65 -10.590 -5.299 -8.677 1.00 0.00 H new ATOM 0 HA SER A 65 -8.356 -3.641 -8.127 1.00 0.00 H new ATOM 0 HB2 SER A 65 -11.283 -3.323 -8.684 1.00 0.00 H new ATOM 0 HB3 SER A 65 -10.488 -1.979 -7.889 1.00 0.00 H new ATOM 0 HG SER A 65 -10.388 -1.816 -10.200 1.00 0.00 H new ATOM 1043 N MET A 66 -8.460 -2.923 -5.749 1.00 0.00 N ATOM 1044 CA MET A 66 -8.413 -2.646 -4.318 1.00 0.00 C ATOM 1045 C MET A 66 -8.616 -1.159 -4.044 1.00 0.00 C ATOM 1046 O MET A 66 -7.996 -0.589 -3.142 1.00 0.00 O ATOM 1047 CB MET A 66 -7.080 -3.110 -3.733 1.00 0.00 C ATOM 1048 CG MET A 66 -7.001 -4.613 -3.515 1.00 0.00 C ATOM 1049 SD MET A 66 -5.364 -5.152 -2.985 1.00 0.00 S ATOM 1050 CE MET A 66 -5.768 -6.037 -1.481 1.00 0.00 C ATOM 0 H MET A 66 -7.671 -2.548 -6.276 1.00 0.00 H new ATOM 0 HA MET A 66 -9.222 -3.197 -3.839 1.00 0.00 H new ATOM 0 HB2 MET A 66 -6.274 -2.805 -4.401 1.00 0.00 H new ATOM 0 HB3 MET A 66 -6.914 -2.604 -2.782 1.00 0.00 H new ATOM 0 HG2 MET A 66 -7.736 -4.907 -2.766 1.00 0.00 H new ATOM 0 HG3 MET A 66 -7.266 -5.125 -4.440 1.00 0.00 H new ATOM 0 HE1 MET A 66 -4.918 -6.649 -1.179 1.00 0.00 H new ATOM 0 HE2 MET A 66 -6.001 -5.324 -0.690 1.00 0.00 H new ATOM 0 HE3 MET A 66 -6.632 -6.678 -1.657 1.00 0.00 H new ATOM 1060 N ASP A 67 -9.490 -0.537 -4.829 1.00 0.00 N ATOM 1061 CA ASP A 67 -9.784 0.884 -4.677 1.00 0.00 C ATOM 1062 C ASP A 67 -11.266 1.108 -4.372 1.00 0.00 C ATOM 1063 O ASP A 67 -11.764 2.229 -4.468 1.00 0.00 O ATOM 1064 CB ASP A 67 -9.391 1.644 -5.947 1.00 0.00 C ATOM 1065 CG ASP A 67 -8.416 2.771 -5.669 1.00 0.00 C ATOM 1066 OD1 ASP A 67 -8.872 3.864 -5.272 1.00 0.00 O ATOM 1067 OD2 ASP A 67 -7.198 2.561 -5.849 1.00 0.00 O ATOM 0 H ASP A 67 -10.008 -0.996 -5.578 1.00 0.00 H new ATOM 0 HA ASP A 67 -9.200 1.263 -3.838 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -8.946 0.950 -6.659 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -10.287 2.050 -6.416 1.00 0.00 H new ATOM 1072 N ASN A 68 -11.964 0.036 -4.006 1.00 0.00 N ATOM 1073 CA ASN A 68 -13.385 0.120 -3.689 1.00 0.00 C ATOM 1074 C ASN A 68 -13.901 -1.216 -3.161 1.00 0.00 C ATOM 1075 O ASN A 68 -15.035 -1.608 -3.439 1.00 0.00 O ATOM 1076 CB ASN A 68 -14.181 0.538 -4.928 1.00 0.00 C ATOM 1077 CG ASN A 68 -15.068 1.740 -4.667 1.00 0.00 C ATOM 1078 OD1 ASN A 68 -16.332 1.485 -4.354 1.00 0.00 O flip ATOM 1079 ND2 ASN A 68 -14.621 2.884 -4.746 1.00 0.00 N flip ATOM 0 H ASN A 68 -11.568 -0.900 -3.922 1.00 0.00 H new ATOM 0 HA ASN A 68 -13.518 0.873 -2.912 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -13.491 0.769 -5.739 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -14.796 -0.298 -5.261 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -13.642 3.033 -4.990 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -15.230 3.683 -4.568 1.00 0.00 H new ATOM 1086 N VAL A 69 -13.061 -1.911 -2.400 1.00 0.00 N ATOM 1087 CA VAL A 69 -13.432 -3.203 -1.835 1.00 0.00 C ATOM 1088 C VAL A 69 -13.103 -3.268 -0.347 1.00 0.00 C ATOM 1089 O VAL A 69 -12.135 -2.662 0.113 1.00 0.00 O ATOM 1090 CB VAL A 69 -12.714 -4.359 -2.557 1.00 0.00 C ATOM 1091 CG1 VAL A 69 -13.177 -4.454 -4.003 1.00 0.00 C ATOM 1092 CG2 VAL A 69 -11.206 -4.178 -2.483 1.00 0.00 C ATOM 0 H VAL A 69 -12.119 -1.601 -2.161 1.00 0.00 H new ATOM 0 HA VAL A 69 -14.508 -3.310 -1.972 1.00 0.00 H new ATOM 0 HB VAL A 69 -12.970 -5.293 -2.056 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -12.659 -5.276 -4.498 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -14.252 -4.633 -4.030 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -12.952 -3.521 -4.519 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -10.715 -5.004 -2.998 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -10.929 -3.237 -2.958 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -10.892 -4.163 -1.439 1.00 0.00 H new ATOM 1102 N GLU A 70 -13.917 -4.005 0.401 1.00 0.00 N ATOM 1103 CA GLU A 70 -13.717 -4.150 1.839 1.00 0.00 C ATOM 1104 C GLU A 70 -12.417 -4.890 2.138 1.00 0.00 C ATOM 1105 O GLU A 70 -11.938 -5.682 1.325 1.00 0.00 O ATOM 1106 CB GLU A 70 -14.896 -4.894 2.466 1.00 0.00 C ATOM 1107 CG GLU A 70 -15.088 -4.596 3.945 1.00 0.00 C ATOM 1108 CD GLU A 70 -15.213 -5.853 4.784 1.00 0.00 C ATOM 1109 OE1 GLU A 70 -16.001 -6.744 4.404 1.00 0.00 O ATOM 1110 OE2 GLU A 70 -14.523 -5.944 5.821 1.00 0.00 O ATOM 0 H GLU A 70 -14.723 -4.512 0.035 1.00 0.00 H new ATOM 0 HA GLU A 70 -13.653 -3.152 2.273 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -15.808 -4.630 1.930 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -14.749 -5.966 2.336 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -14.245 -4.006 4.305 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -15.982 -3.987 4.076 1.00 0.00 H new ATOM 1117 N HIS A 71 -11.850 -4.626 3.312 1.00 0.00 N ATOM 1118 CA HIS A 71 -10.604 -5.265 3.725 1.00 0.00 C ATOM 1119 C HIS A 71 -10.698 -6.783 3.592 1.00 0.00 C ATOM 1120 O HIS A 71 -9.815 -7.421 3.021 1.00 0.00 O ATOM 1121 CB HIS A 71 -10.269 -4.888 5.170 1.00 0.00 C ATOM 1122 CG HIS A 71 -8.975 -5.464 5.655 1.00 0.00 C ATOM 1123 ND1 HIS A 71 -8.899 -6.408 6.657 1.00 0.00 N ATOM 1124 CD2 HIS A 71 -7.699 -5.224 5.270 1.00 0.00 C ATOM 1125 CE1 HIS A 71 -7.634 -6.723 6.868 1.00 0.00 C ATOM 1126 NE2 HIS A 71 -6.885 -6.019 6.039 1.00 0.00 N ATOM 0 H HIS A 71 -12.234 -3.973 3.995 1.00 0.00 H new ATOM 0 HA HIS A 71 -9.809 -4.911 3.069 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -10.227 -3.802 5.253 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -11.075 -5.227 5.821 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -7.381 -4.535 4.501 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -7.273 -7.435 7.595 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -5.868 -6.059 5.980 1.00 0.00 H new ATOM 1135 N ALA A 72 -11.775 -7.353 4.121 1.00 0.00 N ATOM 1136 CA ALA A 72 -11.985 -8.796 4.058 1.00 0.00 C ATOM 1137 C ALA A 72 -12.006 -9.283 2.613 1.00 0.00 C ATOM 1138 O ALA A 72 -11.398 -10.300 2.281 1.00 0.00 O ATOM 1139 CB ALA A 72 -13.280 -9.172 4.763 1.00 0.00 C ATOM 0 H ALA A 72 -12.516 -6.839 4.598 1.00 0.00 H new ATOM 0 HA ALA A 72 -11.153 -9.283 4.567 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -13.424 -10.251 4.708 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -13.228 -8.865 5.808 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -14.117 -8.669 4.279 1.00 0.00 H new ATOM 1145 N PHE A 73 -12.709 -8.547 1.758 1.00 0.00 N ATOM 1146 CA PHE A 73 -12.807 -8.902 0.347 1.00 0.00 C ATOM 1147 C PHE A 73 -11.429 -8.902 -0.307 1.00 0.00 C ATOM 1148 O PHE A 73 -11.134 -9.743 -1.156 1.00 0.00 O ATOM 1149 CB PHE A 73 -13.732 -7.926 -0.383 1.00 0.00 C ATOM 1150 CG PHE A 73 -15.171 -8.354 -0.390 1.00 0.00 C ATOM 1151 CD1 PHE A 73 -15.562 -9.508 -1.049 1.00 0.00 C ATOM 1152 CD2 PHE A 73 -16.135 -7.601 0.263 1.00 0.00 C ATOM 1153 CE1 PHE A 73 -16.886 -9.904 -1.056 1.00 0.00 C ATOM 1154 CE2 PHE A 73 -17.460 -7.992 0.258 1.00 0.00 C ATOM 1155 CZ PHE A 73 -17.836 -9.145 -0.402 1.00 0.00 C ATOM 0 H PHE A 73 -13.218 -7.702 2.017 1.00 0.00 H new ATOM 0 HA PHE A 73 -13.224 -9.907 0.277 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -13.655 -6.945 0.087 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -13.390 -7.814 -1.412 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -14.824 -10.105 -1.563 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -15.847 -6.699 0.781 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -17.177 -10.807 -1.573 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -18.201 -7.396 0.770 1.00 0.00 H new ATOM 0 HZ PHE A 73 -18.871 -9.453 -0.407 1.00 0.00 H new ATOM 1165 N ALA A 74 -10.590 -7.953 0.095 1.00 0.00 N ATOM 1166 CA ALA A 74 -9.243 -7.844 -0.452 1.00 0.00 C ATOM 1167 C ALA A 74 -8.337 -8.950 0.083 1.00 0.00 C ATOM 1168 O ALA A 74 -7.501 -9.486 -0.645 1.00 0.00 O ATOM 1169 CB ALA A 74 -8.656 -6.476 -0.133 1.00 0.00 C ATOM 0 H ALA A 74 -10.819 -7.249 0.797 1.00 0.00 H new ATOM 0 HA ALA A 74 -9.307 -7.959 -1.534 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -7.650 -6.406 -0.547 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -9.283 -5.700 -0.572 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -8.614 -6.341 0.948 1.00 0.00 H new ATOM 1175 N VAL A 75 -8.505 -9.284 1.358 1.00 0.00 N ATOM 1176 CA VAL A 75 -7.699 -10.323 1.992 1.00 0.00 C ATOM 1177 C VAL A 75 -8.006 -11.701 1.412 1.00 0.00 C ATOM 1178 O VAL A 75 -7.108 -12.524 1.238 1.00 0.00 O ATOM 1179 CB VAL A 75 -7.926 -10.360 3.516 1.00 0.00 C ATOM 1180 CG1 VAL A 75 -6.929 -11.297 4.181 1.00 0.00 C ATOM 1181 CG2 VAL A 75 -7.834 -8.960 4.107 1.00 0.00 C ATOM 0 H VAL A 75 -9.193 -8.850 1.974 1.00 0.00 H new ATOM 0 HA VAL A 75 -6.657 -10.074 1.790 1.00 0.00 H new ATOM 0 HB VAL A 75 -8.929 -10.741 3.706 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -7.104 -11.311 5.257 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -7.052 -12.303 3.781 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -5.915 -10.949 3.983 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -7.997 -9.008 5.184 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -6.846 -8.545 3.908 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -8.593 -8.323 3.653 1.00 0.00 H new ATOM 1191 N GLN A 76 -9.278 -11.947 1.118 1.00 0.00 N ATOM 1192 CA GLN A 76 -9.696 -13.229 0.562 1.00 0.00 C ATOM 1193 C GLN A 76 -9.135 -13.427 -0.843 1.00 0.00 C ATOM 1194 O GLN A 76 -8.913 -14.557 -1.278 1.00 0.00 O ATOM 1195 CB GLN A 76 -11.223 -13.323 0.532 1.00 0.00 C ATOM 1196 CG GLN A 76 -11.883 -12.221 -0.279 1.00 0.00 C ATOM 1197 CD GLN A 76 -13.338 -12.516 -0.590 1.00 0.00 C ATOM 1198 OE1 GLN A 76 -14.242 -11.978 0.049 1.00 0.00 O ATOM 1199 NE2 GLN A 76 -13.571 -13.375 -1.575 1.00 0.00 N ATOM 0 H GLN A 76 -10.036 -11.278 1.255 1.00 0.00 H new ATOM 0 HA GLN A 76 -9.302 -14.018 1.203 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -11.511 -14.290 0.119 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -11.601 -13.287 1.554 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -11.816 -11.282 0.270 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -11.336 -12.085 -1.212 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -12.791 -13.798 -2.078 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -14.530 -13.612 -1.828 1.00 0.00 H new ATOM 1208 N GLN A 77 -8.913 -12.324 -1.550 1.00 0.00 N ATOM 1209 CA GLN A 77 -8.384 -12.379 -2.907 1.00 0.00 C ATOM 1210 C GLN A 77 -6.909 -12.776 -2.914 1.00 0.00 C ATOM 1211 O GLN A 77 -6.504 -13.675 -3.649 1.00 0.00 O ATOM 1212 CB GLN A 77 -8.559 -11.026 -3.599 1.00 0.00 C ATOM 1213 CG GLN A 77 -9.983 -10.758 -4.062 1.00 0.00 C ATOM 1214 CD GLN A 77 -10.541 -11.880 -4.917 1.00 0.00 C ATOM 1215 OE1 GLN A 77 -9.725 -12.387 -5.834 1.00 0.00 O flip ATOM 1216 NE2 GLN A 77 -11.691 -12.286 -4.754 1.00 0.00 N flip ATOM 0 H GLN A 77 -9.091 -11.381 -1.205 1.00 0.00 H new ATOM 0 HA GLN A 77 -8.944 -13.139 -3.451 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -8.254 -10.235 -2.914 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -7.891 -10.978 -4.459 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -10.623 -10.617 -3.191 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -10.007 -9.828 -4.629 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -12.283 -11.867 -4.037 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -12.052 -13.042 -5.336 1.00 0.00 H new ATOM 1225 N LEU A 78 -6.110 -12.096 -2.097 1.00 0.00 N ATOM 1226 CA LEU A 78 -4.680 -12.376 -2.020 1.00 0.00 C ATOM 1227 C LEU A 78 -4.417 -13.750 -1.407 1.00 0.00 C ATOM 1228 O LEU A 78 -3.613 -14.524 -1.923 1.00 0.00 O ATOM 1229 CB LEU A 78 -3.963 -11.293 -1.209 1.00 0.00 C ATOM 1230 CG LEU A 78 -4.570 -10.999 0.166 1.00 0.00 C ATOM 1231 CD1 LEU A 78 -3.787 -11.708 1.260 1.00 0.00 C ATOM 1232 CD2 LEU A 78 -4.606 -9.500 0.422 1.00 0.00 C ATOM 0 H LEU A 78 -6.428 -11.349 -1.480 1.00 0.00 H new ATOM 0 HA LEU A 78 -4.287 -12.375 -3.037 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -2.924 -11.592 -1.073 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -3.956 -10.371 -1.790 1.00 0.00 H new ATOM 0 HG LEU A 78 -5.593 -11.376 0.178 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -4.234 -11.487 2.229 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -3.812 -12.784 1.086 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -2.753 -11.363 1.250 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -5.040 -9.309 1.403 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -3.592 -9.101 0.390 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -5.211 -9.015 -0.343 1.00 0.00 H new ATOM 1244 N ARG A 79 -5.099 -14.046 -0.304 1.00 0.00 N ATOM 1245 CA ARG A 79 -4.930 -15.329 0.371 1.00 0.00 C ATOM 1246 C ARG A 79 -5.439 -16.477 -0.497 1.00 0.00 C ATOM 1247 O ARG A 79 -5.003 -17.620 -0.349 1.00 0.00 O ATOM 1248 CB ARG A 79 -5.655 -15.324 1.720 1.00 0.00 C ATOM 1249 CG ARG A 79 -7.170 -15.379 1.606 1.00 0.00 C ATOM 1250 CD ARG A 79 -7.840 -15.006 2.919 1.00 0.00 C ATOM 1251 NE ARG A 79 -9.202 -15.525 3.007 1.00 0.00 N ATOM 1252 CZ ARG A 79 -10.123 -15.054 3.845 1.00 0.00 C ATOM 1253 NH1 ARG A 79 -9.832 -14.055 4.668 1.00 0.00 N ATOM 1254 NH2 ARG A 79 -11.339 -15.584 3.860 1.00 0.00 N ATOM 0 H ARG A 79 -5.770 -13.419 0.139 1.00 0.00 H new ATOM 0 HA ARG A 79 -3.864 -15.479 0.544 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -5.314 -16.176 2.308 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -5.374 -14.425 2.269 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -7.502 -14.700 0.821 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -7.478 -16.382 1.311 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -7.250 -15.394 3.750 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -7.859 -13.921 3.021 1.00 0.00 H new ATOM 0 HE ARG A 79 -9.463 -16.294 2.390 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -8.899 -13.644 4.661 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -10.542 -13.698 5.308 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -11.568 -16.352 3.230 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -12.045 -15.223 4.502 1.00 0.00 H new ATOM 1268 N LYS A 80 -6.364 -16.169 -1.401 1.00 0.00 N ATOM 1269 CA LYS A 80 -6.932 -17.179 -2.289 1.00 0.00 C ATOM 1270 C LYS A 80 -5.865 -17.760 -3.213 1.00 0.00 C ATOM 1271 O LYS A 80 -5.998 -18.885 -3.697 1.00 0.00 O ATOM 1272 CB LYS A 80 -8.071 -16.576 -3.116 1.00 0.00 C ATOM 1273 CG LYS A 80 -9.454 -16.967 -2.623 1.00 0.00 C ATOM 1274 CD LYS A 80 -9.764 -18.424 -2.931 1.00 0.00 C ATOM 1275 CE LYS A 80 -11.236 -18.625 -3.252 1.00 0.00 C ATOM 1276 NZ LYS A 80 -12.026 -18.977 -2.039 1.00 0.00 N ATOM 0 H LYS A 80 -6.736 -15.229 -1.538 1.00 0.00 H new ATOM 0 HA LYS A 80 -7.327 -17.987 -1.673 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -7.983 -15.490 -3.102 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -7.962 -16.891 -4.154 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -9.519 -16.799 -1.548 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -10.203 -16.328 -3.091 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -9.158 -18.755 -3.774 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -9.489 -19.044 -2.078 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -11.638 -17.714 -3.696 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -11.341 -19.415 -3.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -13.024 -19.106 -2.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -11.659 -19.860 -1.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -11.947 -18.212 -1.339 1.00 0.00 H new ATOM 1290 N SER A 81 -4.807 -16.991 -3.457 1.00 0.00 N ATOM 1291 CA SER A 81 -3.721 -17.437 -4.325 1.00 0.00 C ATOM 1292 C SER A 81 -3.166 -18.781 -3.858 1.00 0.00 C ATOM 1293 O SER A 81 -3.440 -19.819 -4.459 1.00 0.00 O ATOM 1294 CB SER A 81 -2.604 -16.393 -4.355 1.00 0.00 C ATOM 1295 OG SER A 81 -2.802 -15.468 -5.410 1.00 0.00 O ATOM 0 H SER A 81 -4.679 -16.057 -3.067 1.00 0.00 H new ATOM 0 HA SER A 81 -4.121 -17.561 -5.331 1.00 0.00 H new ATOM 0 HB2 SER A 81 -2.571 -15.863 -3.403 1.00 0.00 H new ATOM 0 HB3 SER A 81 -1.641 -16.889 -4.477 1.00 0.00 H new ATOM 0 HG SER A 81 -3.198 -14.645 -5.054 1.00 0.00 H new ATOM 1301 N GLY A 82 -2.387 -18.754 -2.781 1.00 0.00 N ATOM 1302 CA GLY A 82 -1.810 -19.975 -2.252 1.00 0.00 C ATOM 1303 C GLY A 82 -0.324 -20.088 -2.532 1.00 0.00 C ATOM 1304 O GLY A 82 0.438 -20.565 -1.691 1.00 0.00 O ATOM 0 H GLY A 82 -2.145 -17.908 -2.266 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -1.977 -20.014 -1.176 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -2.324 -20.833 -2.686 1.00 0.00 H new ATOM 1308 N LYS A 83 0.089 -19.651 -3.718 1.00 0.00 N ATOM 1309 CA LYS A 83 1.495 -19.707 -4.104 1.00 0.00 C ATOM 1310 C LYS A 83 1.743 -18.900 -5.375 1.00 0.00 C ATOM 1311 O LYS A 83 2.618 -19.234 -6.175 1.00 0.00 O ATOM 1312 CB LYS A 83 1.929 -21.162 -4.309 1.00 0.00 C ATOM 1313 CG LYS A 83 2.925 -21.652 -3.270 1.00 0.00 C ATOM 1314 CD LYS A 83 2.588 -23.056 -2.789 1.00 0.00 C ATOM 1315 CE LYS A 83 3.794 -23.979 -2.868 1.00 0.00 C ATOM 1316 NZ LYS A 83 4.900 -23.525 -1.981 1.00 0.00 N ATOM 0 H LYS A 83 -0.528 -19.255 -4.427 1.00 0.00 H new ATOM 0 HA LYS A 83 2.087 -19.269 -3.300 1.00 0.00 H new ATOM 0 HB2 LYS A 83 1.047 -21.802 -4.285 1.00 0.00 H new ATOM 0 HB3 LYS A 83 2.371 -21.264 -5.300 1.00 0.00 H new ATOM 0 HG2 LYS A 83 3.929 -21.644 -3.695 1.00 0.00 H new ATOM 0 HG3 LYS A 83 2.932 -20.968 -2.421 1.00 0.00 H new ATOM 0 HD2 LYS A 83 2.229 -23.013 -1.761 1.00 0.00 H new ATOM 0 HD3 LYS A 83 1.777 -23.463 -3.393 1.00 0.00 H new ATOM 0 HE2 LYS A 83 3.496 -24.990 -2.589 1.00 0.00 H new ATOM 0 HE3 LYS A 83 4.150 -24.024 -3.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 5.639 -24.256 -1.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 5.304 -22.642 -2.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 4.531 -23.360 -1.023 1.00 0.00 H new ATOM 1330 N ASN A 84 0.968 -17.835 -5.554 1.00 0.00 N ATOM 1331 CA ASN A 84 1.101 -16.978 -6.725 1.00 0.00 C ATOM 1332 C ASN A 84 0.133 -15.802 -6.643 1.00 0.00 C ATOM 1333 O ASN A 84 -0.841 -15.731 -7.393 1.00 0.00 O ATOM 1334 CB ASN A 84 0.844 -17.779 -8.003 1.00 0.00 C ATOM 1335 CG ASN A 84 1.277 -17.034 -9.251 1.00 0.00 C ATOM 1336 OD1 ASN A 84 0.467 -16.390 -9.917 1.00 0.00 O ATOM 1337 ND2 ASN A 84 2.563 -17.118 -9.573 1.00 0.00 N ATOM 0 H ASN A 84 0.240 -17.545 -4.901 1.00 0.00 H new ATOM 0 HA ASN A 84 2.119 -16.590 -6.750 1.00 0.00 H new ATOM 0 HB2 ASN A 84 1.377 -18.728 -7.947 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -0.218 -18.014 -8.074 1.00 0.00 H new ATOM 0 HD21 ASN A 84 2.914 -16.637 -10.401 1.00 0.00 H new ATOM 0 HD22 ASN A 84 3.200 -17.663 -8.992 1.00 0.00 H new ATOM 1344 N ALA A 85 0.406 -14.882 -5.724 1.00 0.00 N ATOM 1345 CA ALA A 85 -0.440 -13.711 -5.541 1.00 0.00 C ATOM 1346 C ALA A 85 0.214 -12.466 -6.131 1.00 0.00 C ATOM 1347 O ALA A 85 1.238 -11.998 -5.634 1.00 0.00 O ATOM 1348 CB ALA A 85 -0.738 -13.503 -4.064 1.00 0.00 C ATOM 0 H ALA A 85 1.207 -14.926 -5.094 1.00 0.00 H new ATOM 0 HA ALA A 85 -1.378 -13.883 -6.069 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -1.371 -12.624 -3.941 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -1.252 -14.379 -3.670 1.00 0.00 H new ATOM 0 HB3 ALA A 85 0.196 -13.356 -3.522 1.00 0.00 H new ATOM 1354 N LYS A 86 -0.381 -11.935 -7.194 1.00 0.00 N ATOM 1355 CA LYS A 86 0.151 -10.746 -7.849 1.00 0.00 C ATOM 1356 C LYS A 86 -0.534 -9.485 -7.328 1.00 0.00 C ATOM 1357 O LYS A 86 -1.747 -9.470 -7.112 1.00 0.00 O ATOM 1358 CB LYS A 86 -0.010 -10.854 -9.369 1.00 0.00 C ATOM 1359 CG LYS A 86 -1.395 -10.479 -9.875 1.00 0.00 C ATOM 1360 CD LYS A 86 -1.716 -11.174 -11.188 1.00 0.00 C ATOM 1361 CE LYS A 86 -2.140 -12.617 -10.965 1.00 0.00 C ATOM 1362 NZ LYS A 86 -1.031 -13.570 -11.244 1.00 0.00 N ATOM 0 H LYS A 86 -1.230 -12.308 -7.619 1.00 0.00 H new ATOM 0 HA LYS A 86 1.214 -10.677 -7.616 1.00 0.00 H new ATOM 0 HB2 LYS A 86 0.727 -10.210 -9.848 1.00 0.00 H new ATOM 0 HB3 LYS A 86 0.213 -11.876 -9.676 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -2.142 -10.748 -9.128 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -1.454 -9.399 -10.010 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -2.512 -10.635 -11.701 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -0.842 -11.147 -11.839 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -2.476 -12.742 -9.936 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -2.989 -12.850 -11.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -1.339 -14.262 -11.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -0.206 -13.048 -11.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -0.772 -14.067 -10.368 1.00 0.00 H new ATOM 1376 N ILE A 87 0.250 -8.431 -7.128 1.00 0.00 N ATOM 1377 CA ILE A 87 -0.281 -7.167 -6.631 1.00 0.00 C ATOM 1378 C ILE A 87 0.141 -6.001 -7.519 1.00 0.00 C ATOM 1379 O ILE A 87 1.315 -5.860 -7.858 1.00 0.00 O ATOM 1380 CB ILE A 87 0.188 -6.888 -5.190 1.00 0.00 C ATOM 1381 CG1 ILE A 87 0.020 -8.136 -4.321 1.00 0.00 C ATOM 1382 CG2 ILE A 87 -0.584 -5.718 -4.599 1.00 0.00 C ATOM 1383 CD1 ILE A 87 1.216 -9.064 -4.358 1.00 0.00 C ATOM 0 H ILE A 87 1.255 -8.427 -7.302 1.00 0.00 H new ATOM 0 HA ILE A 87 -1.367 -7.258 -6.645 1.00 0.00 H new ATOM 0 HB ILE A 87 1.246 -6.627 -5.214 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -0.160 -7.830 -3.291 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -0.864 -8.682 -4.651 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -0.241 -5.533 -3.581 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -0.416 -4.828 -5.205 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -1.648 -5.953 -4.587 1.00 0.00 H new ATOM 0 HD11 ILE A 87 1.027 -9.927 -3.719 1.00 0.00 H new ATOM 0 HD12 ILE A 87 1.384 -9.400 -5.381 1.00 0.00 H new ATOM 0 HD13 ILE A 87 2.099 -8.534 -4.000 1.00 0.00 H new ATOM 1395 N THR A 88 -0.825 -5.165 -7.884 1.00 0.00 N ATOM 1396 CA THR A 88 -0.555 -4.006 -8.725 1.00 0.00 C ATOM 1397 C THR A 88 -0.423 -2.747 -7.874 1.00 0.00 C ATOM 1398 O THR A 88 -1.363 -2.354 -7.182 1.00 0.00 O ATOM 1399 CB THR A 88 -1.671 -3.825 -9.756 1.00 0.00 C ATOM 1400 OG1 THR A 88 -1.923 -5.039 -10.439 1.00 0.00 O ATOM 1401 CG2 THR A 88 -1.359 -2.769 -10.795 1.00 0.00 C ATOM 0 H THR A 88 -1.802 -5.269 -7.610 1.00 0.00 H new ATOM 0 HA THR A 88 0.386 -4.175 -9.249 1.00 0.00 H new ATOM 0 HB THR A 88 -2.543 -3.504 -9.186 1.00 0.00 H new ATOM 0 HG1 THR A 88 -2.373 -4.849 -11.289 1.00 0.00 H new ATOM 0 HG21 THR A 88 -2.191 -2.691 -11.495 1.00 0.00 H new ATOM 0 HG22 THR A 88 -1.207 -1.808 -10.303 1.00 0.00 H new ATOM 0 HG23 THR A 88 -0.454 -3.047 -11.336 1.00 0.00 H new ATOM 1409 N ILE A 89 0.749 -2.122 -7.923 1.00 0.00 N ATOM 1410 CA ILE A 89 0.996 -0.912 -7.147 1.00 0.00 C ATOM 1411 C ILE A 89 1.595 0.190 -8.014 1.00 0.00 C ATOM 1412 O ILE A 89 2.113 -0.070 -9.100 1.00 0.00 O ATOM 1413 CB ILE A 89 1.943 -1.188 -5.963 1.00 0.00 C ATOM 1414 CG1 ILE A 89 3.156 -1.995 -6.427 1.00 0.00 C ATOM 1415 CG2 ILE A 89 1.203 -1.920 -4.854 1.00 0.00 C ATOM 1416 CD1 ILE A 89 4.147 -1.188 -7.235 1.00 0.00 C ATOM 0 H ILE A 89 1.539 -2.431 -8.489 1.00 0.00 H new ATOM 0 HA ILE A 89 0.030 -0.582 -6.764 1.00 0.00 H new ATOM 0 HB ILE A 89 2.296 -0.235 -5.570 1.00 0.00 H new ATOM 0 HG12 ILE A 89 3.662 -2.408 -5.555 1.00 0.00 H new ATOM 0 HG13 ILE A 89 2.813 -2.839 -7.026 1.00 0.00 H new ATOM 0 HG21 ILE A 89 1.885 -2.108 -4.024 1.00 0.00 H new ATOM 0 HG22 ILE A 89 0.370 -1.309 -4.508 1.00 0.00 H new ATOM 0 HG23 ILE A 89 0.824 -2.869 -5.234 1.00 0.00 H new ATOM 0 HD11 ILE A 89 4.981 -1.825 -7.530 1.00 0.00 H new ATOM 0 HD12 ILE A 89 3.657 -0.797 -8.126 1.00 0.00 H new ATOM 0 HD13 ILE A 89 4.519 -0.360 -6.632 1.00 0.00 H new ATOM 1428 N ARG A 90 1.523 1.424 -7.522 1.00 0.00 N ATOM 1429 CA ARG A 90 2.058 2.569 -8.247 1.00 0.00 C ATOM 1430 C ARG A 90 2.827 3.494 -7.309 1.00 0.00 C ATOM 1431 O ARG A 90 2.476 3.641 -6.139 1.00 0.00 O ATOM 1432 CB ARG A 90 0.930 3.341 -8.934 1.00 0.00 C ATOM 1433 CG ARG A 90 -0.290 3.551 -8.049 1.00 0.00 C ATOM 1434 CD ARG A 90 -1.345 2.482 -8.287 1.00 0.00 C ATOM 1435 NE ARG A 90 -2.644 3.060 -8.626 1.00 0.00 N ATOM 1436 CZ ARG A 90 -2.959 3.516 -9.836 1.00 0.00 C ATOM 1437 NH1 ARG A 90 -2.074 3.463 -10.825 1.00 0.00 N ATOM 1438 NH2 ARG A 90 -4.162 4.026 -10.061 1.00 0.00 N ATOM 0 H ARG A 90 1.099 1.655 -6.624 1.00 0.00 H new ATOM 0 HA ARG A 90 2.745 2.197 -9.007 1.00 0.00 H new ATOM 0 HB2 ARG A 90 1.308 4.312 -9.254 1.00 0.00 H new ATOM 0 HB3 ARG A 90 0.628 2.804 -9.833 1.00 0.00 H new ATOM 0 HG2 ARG A 90 0.013 3.537 -7.002 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -0.717 4.535 -8.245 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -1.019 1.825 -9.093 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -1.445 1.866 -7.393 1.00 0.00 H new ATOM 0 HE ARG A 90 -3.350 3.117 -7.892 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -1.147 3.071 -10.659 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -2.321 3.814 -11.750 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -4.847 4.069 -9.306 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -4.403 4.375 -10.989 1.00 0.00 H new ATOM 1452 N ARG A 91 3.882 4.113 -7.831 1.00 0.00 N ATOM 1453 CA ARG A 91 4.704 5.024 -7.039 1.00 0.00 C ATOM 1454 C ARG A 91 5.278 6.139 -7.910 1.00 0.00 C ATOM 1455 O ARG A 91 5.721 5.896 -9.032 1.00 0.00 O ATOM 1456 CB ARG A 91 5.844 4.265 -6.343 1.00 0.00 C ATOM 1457 CG ARG A 91 5.979 2.810 -6.772 1.00 0.00 C ATOM 1458 CD ARG A 91 6.521 2.693 -8.187 1.00 0.00 C ATOM 1459 NE ARG A 91 7.958 2.950 -8.247 1.00 0.00 N ATOM 1460 CZ ARG A 91 8.886 2.057 -7.911 1.00 0.00 C ATOM 1461 NH1 ARG A 91 8.533 0.849 -7.488 1.00 0.00 N ATOM 1462 NH2 ARG A 91 10.171 2.372 -7.999 1.00 0.00 N ATOM 0 H ARG A 91 4.188 4.001 -8.798 1.00 0.00 H new ATOM 0 HA ARG A 91 4.064 5.471 -6.278 1.00 0.00 H new ATOM 0 HB2 ARG A 91 6.784 4.780 -6.544 1.00 0.00 H new ATOM 0 HB3 ARG A 91 5.684 4.301 -5.265 1.00 0.00 H new ATOM 0 HG2 ARG A 91 6.642 2.287 -6.083 1.00 0.00 H new ATOM 0 HG3 ARG A 91 5.007 2.321 -6.712 1.00 0.00 H new ATOM 0 HD2 ARG A 91 6.315 1.694 -8.572 1.00 0.00 H new ATOM 0 HD3 ARG A 91 5.999 3.398 -8.834 1.00 0.00 H new ATOM 0 HE ARG A 91 8.268 3.868 -8.565 1.00 0.00 H new ATOM 0 HH11 ARG A 91 7.546 0.601 -7.419 1.00 0.00 H new ATOM 0 HH12 ARG A 91 9.249 0.169 -7.232 1.00 0.00 H new ATOM 0 HH21 ARG A 91 10.448 3.298 -8.324 1.00 0.00 H new ATOM 0 HH22 ARG A 91 10.883 1.688 -7.742 1.00 0.00 H new ATOM 1476 N LYS A 92 5.267 7.360 -7.384 1.00 0.00 N ATOM 1477 CA LYS A 92 5.788 8.512 -8.113 1.00 0.00 C ATOM 1478 C LYS A 92 6.915 9.189 -7.335 1.00 0.00 C ATOM 1479 O LYS A 92 7.885 9.668 -7.923 1.00 0.00 O ATOM 1480 CB LYS A 92 4.670 9.518 -8.392 1.00 0.00 C ATOM 1481 CG LYS A 92 3.772 9.782 -7.195 1.00 0.00 C ATOM 1482 CD LYS A 92 3.412 11.256 -7.080 1.00 0.00 C ATOM 1483 CE LYS A 92 4.260 11.956 -6.030 1.00 0.00 C ATOM 1484 NZ LYS A 92 3.603 11.954 -4.694 1.00 0.00 N ATOM 0 H LYS A 92 4.903 7.577 -6.456 1.00 0.00 H new ATOM 0 HA LYS A 92 6.190 8.155 -9.061 1.00 0.00 H new ATOM 0 HB2 LYS A 92 5.113 10.459 -8.717 1.00 0.00 H new ATOM 0 HB3 LYS A 92 4.061 9.151 -9.218 1.00 0.00 H new ATOM 0 HG2 LYS A 92 2.861 9.190 -7.285 1.00 0.00 H new ATOM 0 HG3 LYS A 92 4.274 9.457 -6.284 1.00 0.00 H new ATOM 0 HD2 LYS A 92 3.552 11.742 -8.045 1.00 0.00 H new ATOM 0 HD3 LYS A 92 2.357 11.355 -6.823 1.00 0.00 H new ATOM 0 HE2 LYS A 92 5.229 11.463 -5.959 1.00 0.00 H new ATOM 0 HE3 LYS A 92 4.447 12.984 -6.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 4.213 12.441 -4.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 2.689 12.447 -4.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 3.447 10.973 -4.385 1.00 0.00 H new ATOM 1498 N LYS A 93 6.780 9.227 -6.013 1.00 0.00 N ATOM 1499 CA LYS A 93 7.786 9.846 -5.159 1.00 0.00 C ATOM 1500 C LYS A 93 9.033 8.971 -5.067 1.00 0.00 C ATOM 1501 O LYS A 93 10.149 9.516 -5.197 1.00 0.00 O ATOM 1502 CB LYS A 93 7.213 10.096 -3.761 1.00 0.00 C ATOM 1503 CG LYS A 93 7.274 11.552 -3.332 1.00 0.00 C ATOM 1504 CD LYS A 93 8.648 11.917 -2.794 1.00 0.00 C ATOM 1505 CE LYS A 93 8.640 13.282 -2.126 1.00 0.00 C ATOM 1506 NZ LYS A 93 8.106 13.218 -0.739 1.00 0.00 N ATOM 1507 OXT LYS A 93 8.882 7.748 -4.861 1.00 0.00 O ATOM 0 H LYS A 93 5.983 8.836 -5.510 1.00 0.00 H new ATOM 0 HA LYS A 93 8.069 10.801 -5.602 1.00 0.00 H new ATOM 0 HB2 LYS A 93 6.176 9.762 -3.737 1.00 0.00 H new ATOM 0 HB3 LYS A 93 7.760 9.490 -3.039 1.00 0.00 H new ATOM 0 HG2 LYS A 93 7.032 12.193 -4.180 1.00 0.00 H new ATOM 0 HG3 LYS A 93 6.521 11.739 -2.566 1.00 0.00 H new ATOM 0 HD2 LYS A 93 8.972 11.162 -2.077 1.00 0.00 H new ATOM 0 HD3 LYS A 93 9.372 11.914 -3.609 1.00 0.00 H new ATOM 0 HE2 LYS A 93 9.654 13.683 -2.107 1.00 0.00 H new ATOM 0 HE3 LYS A 93 8.036 13.971 -2.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 8.117 14.169 -0.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 7.130 12.860 -0.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 8.697 12.580 -0.169 1.00 0.00 H new TER 1521 LYS A 93