USER MOD reduce.3.24.130724 H: found=0, std=0, add=938, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 938 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 87 THR OG1 : rot -142:sc= -0.146 USER MOD Set 1.2: A 109 HIS : no HD1:sc= -1.94 K(o=-2.1,f=-6.1!) USER MOD Set 2.1: A 58 TYR OH : rot 180:sc= -1.47! USER MOD Set 2.2: A 74 TYR OH : rot 69:sc= -1.04 USER MOD Set 3.1: A 32 THR OG1 : rot -91:sc= 1.11 USER MOD Set 3.2: A 92 TYR OH : rot -119:sc= 0.0243 USER MOD Set 4.1: A 29 ASN : amide:sc= -0.772 K(o=-0.72,f=-2.7) USER MOD Set 4.2: A 31 THR OG1 : rot -105:sc= 0.0529 USER MOD Set 5.1: A 0 HIS : no HE2:sc= -0.835 K(o=-2.1,f=-1.4) USER MOD Set 5.2: A 1 MET CE :methyl 171:sc= -1.19 (180deg=-0.513) USER MOD Set 5.3: A -1 SER OG : rot 180:sc= -0.118 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 164:sc= -0.0394 (180deg=-0.333) USER MOD Single : A -2 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 ASN : amide:sc= -2.86! C(o=-2.9!,f=-10!) USER MOD Single : A 12 LYS NZ :NH3+ -115:sc= -0.24 (180deg=-0.999) USER MOD Single : A 16 THR OG1 : rot 23:sc= 0.235 USER MOD Single : A 17 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 20 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0238) USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.637 USER MOD Single : A 22 THR OG1 : rot 29:sc= 0.338 USER MOD Single : A 25 HIS : no HE2:sc= -1.08 K(o=-1.1,f=-3.9!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 MET CE :methyl -110:sc= -1.59 (180deg=-3.82!) USER MOD Single : A 37 THR OG1 : rot -132:sc= 0.217 USER MOD Single : A 44 LYS NZ :NH3+ 141:sc= -2.05 (180deg=-4.75!) USER MOD Single : A 48 SER OG : rot 180:sc= -0.0318 USER MOD Single : A 56 CYS SG : rot 39:sc= -2.35! USER MOD Single : A 57 LYS NZ :NH3+ -160:sc= -0.142 (180deg=-0.697) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot -73:sc= -0.15 USER MOD Single : A 63 SER OG : rot 64:sc= -0.539 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 MET CE :methyl 160:sc= -0.143 (180deg=-0.745) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ -169:sc= -0.013 (180deg=-0.17) USER MOD Single : A 85 HIS : no HD1:sc= -0.351 K(o=-0.35,f=-0.93) USER MOD Single : A 86 HIS : no HE2:sc= -5.62! C(o=-5.6!,f=-13!) USER MOD Single : A 93 THR OG1 : rot -91:sc= -2.29 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 ASN : amide:sc= -6.89! C(o=-6.9!,f=-6.3!) USER MOD Single : A 106 TYR OH : rot 180:sc= -1.79! USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 ASN : amide:sc= -0.999 X(o=-1,f=-1.2) USER MOD Single : A 113 LYS NZ :NH3+ 162:sc= -0.0602 (180deg=-0.42) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -2 -7.286 -5.103 19.589 1.00 0.00 N ATOM 2 CA GLY A -2 -8.757 -4.992 19.789 1.00 0.00 C ATOM 3 C GLY A -2 -9.124 -3.953 20.831 1.00 0.00 C ATOM 4 O GLY A -2 -8.528 -3.907 21.908 1.00 0.00 O ATOM 0 H1 GLY A -2 -7.087 -5.826 18.868 1.00 0.00 H new ATOM 0 H2 GLY A -2 -6.908 -4.187 19.274 1.00 0.00 H new ATOM 0 H3 GLY A -2 -6.833 -5.375 20.485 1.00 0.00 H new ATOM 0 HA2 GLY A -2 -9.231 -4.735 18.842 1.00 0.00 H new ATOM 0 HA3 GLY A -2 -9.154 -5.961 20.091 1.00 0.00 H new ATOM 10 N SER A -1 -10.108 -3.119 20.511 1.00 0.00 N ATOM 11 CA SER A -1 -10.554 -2.076 21.426 1.00 0.00 C ATOM 12 C SER A -1 -11.636 -2.602 22.364 1.00 0.00 C ATOM 13 O SER A -1 -11.536 -2.463 23.584 1.00 0.00 O ATOM 14 CB SER A -1 -11.084 -0.872 20.643 1.00 0.00 C ATOM 15 OG SER A -1 -12.176 -1.240 19.819 1.00 0.00 O ATOM 0 H SER A -1 -10.612 -3.146 19.624 1.00 0.00 H new ATOM 0 HA SER A -1 -9.698 -1.763 22.025 1.00 0.00 H new ATOM 0 HB2 SER A -1 -11.395 -0.091 21.337 1.00 0.00 H new ATOM 0 HB3 SER A -1 -10.286 -0.454 20.029 1.00 0.00 H new ATOM 0 HG SER A -1 -12.497 -0.453 19.331 1.00 0.00 H new ATOM 21 N HIS A 0 -12.669 -3.207 21.786 1.00 0.00 N ATOM 22 CA HIS A 0 -13.771 -3.755 22.569 1.00 0.00 C ATOM 23 C HIS A 0 -13.718 -5.280 22.593 1.00 0.00 C ATOM 24 O HIS A 0 -14.004 -5.904 23.615 1.00 0.00 O ATOM 25 CB HIS A 0 -15.112 -3.283 22.001 1.00 0.00 C ATOM 26 CG HIS A 0 -15.250 -3.499 20.525 1.00 0.00 C ATOM 27 ND1 HIS A 0 -14.858 -2.565 19.589 1.00 0.00 N ATOM 28 CD2 HIS A 0 -15.740 -4.549 19.825 1.00 0.00 C ATOM 29 CE1 HIS A 0 -15.103 -3.031 18.377 1.00 0.00 C ATOM 30 NE2 HIS A 0 -15.637 -4.232 18.492 1.00 0.00 N ATOM 0 H HIS A 0 -12.766 -3.330 20.778 1.00 0.00 H new ATOM 0 HA HIS A 0 -13.673 -3.393 23.593 1.00 0.00 H new ATOM 0 HB2 HIS A 0 -15.918 -3.808 22.513 1.00 0.00 H new ATOM 0 HB3 HIS A 0 -15.235 -2.222 22.217 1.00 0.00 H new ATOM 0 HD1 HIS A 0 -14.444 -1.657 19.799 1.00 0.00 H new ATOM 0 HD2 HIS A 0 -16.138 -5.465 20.237 1.00 0.00 H new ATOM 0 HE1 HIS A 0 -14.900 -2.516 17.450 1.00 0.00 H new ATOM 39 N MET A 1 -13.350 -5.874 21.461 1.00 0.00 N ATOM 40 CA MET A 1 -13.255 -7.325 21.353 1.00 0.00 C ATOM 41 C MET A 1 -12.058 -7.730 20.501 1.00 0.00 C ATOM 42 O MET A 1 -11.392 -6.881 19.908 1.00 0.00 O ATOM 43 CB MET A 1 -14.540 -7.904 20.753 1.00 0.00 C ATOM 44 CG MET A 1 -15.769 -7.691 21.623 1.00 0.00 C ATOM 45 SD MET A 1 -17.241 -8.492 20.957 1.00 0.00 S ATOM 46 CE MET A 1 -17.390 -7.673 19.371 1.00 0.00 C ATOM 0 H MET A 1 -13.113 -5.372 20.606 1.00 0.00 H new ATOM 0 HA MET A 1 -13.119 -7.727 22.357 1.00 0.00 H new ATOM 0 HB2 MET A 1 -14.713 -7.449 19.778 1.00 0.00 H new ATOM 0 HB3 MET A 1 -14.404 -8.973 20.587 1.00 0.00 H new ATOM 0 HG2 MET A 1 -15.572 -8.076 22.623 1.00 0.00 H new ATOM 0 HG3 MET A 1 -15.956 -6.622 21.724 1.00 0.00 H new ATOM 0 HE1 MET A 1 -18.156 -8.170 18.775 1.00 0.00 H new ATOM 0 HE2 MET A 1 -17.669 -6.631 19.525 1.00 0.00 H new ATOM 0 HE3 MET A 1 -16.436 -7.719 18.847 1.00 0.00 H new ATOM 56 N ILE A 2 -11.789 -9.030 20.445 1.00 0.00 N ATOM 57 CA ILE A 2 -10.671 -9.547 19.665 1.00 0.00 C ATOM 58 C ILE A 2 -11.037 -9.666 18.189 1.00 0.00 C ATOM 59 O ILE A 2 -10.191 -9.487 17.314 1.00 0.00 O ATOM 60 CB ILE A 2 -10.211 -10.923 20.184 1.00 0.00 C ATOM 61 CG1 ILE A 2 -11.377 -11.916 20.171 1.00 0.00 C ATOM 62 CG2 ILE A 2 -9.632 -10.791 21.585 1.00 0.00 C ATOM 63 CD1 ILE A 2 -10.978 -13.328 20.543 1.00 0.00 C ATOM 0 H ILE A 2 -12.330 -9.745 20.931 1.00 0.00 H new ATOM 0 HA ILE A 2 -9.853 -8.835 19.776 1.00 0.00 H new ATOM 0 HB ILE A 2 -9.432 -11.303 19.524 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -12.145 -11.570 20.863 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -11.825 -11.924 19.177 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -9.311 -11.770 21.940 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -8.777 -10.115 21.563 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -10.392 -10.393 22.257 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -11.855 -13.974 20.512 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -10.233 -13.694 19.836 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -10.558 -13.334 21.549 1.00 0.00 H new ATOM 75 N ALA A 3 -12.305 -9.969 17.922 1.00 0.00 N ATOM 76 CA ALA A 3 -12.792 -10.115 16.554 1.00 0.00 C ATOM 77 C ALA A 3 -11.978 -11.153 15.784 1.00 0.00 C ATOM 78 O ALA A 3 -10.993 -10.816 15.127 1.00 0.00 O ATOM 79 CB ALA A 3 -12.755 -8.774 15.834 1.00 0.00 C ATOM 0 H ALA A 3 -13.016 -10.119 18.638 1.00 0.00 H new ATOM 0 HA ALA A 3 -13.824 -10.464 16.600 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -13.121 -8.898 14.815 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -13.387 -8.060 16.362 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -11.731 -8.403 15.809 1.00 0.00 H new ATOM 85 N PRO A 4 -12.376 -12.438 15.861 1.00 0.00 N ATOM 86 CA PRO A 4 -11.678 -13.522 15.168 1.00 0.00 C ATOM 87 C PRO A 4 -11.966 -13.536 13.670 1.00 0.00 C ATOM 88 O PRO A 4 -11.530 -14.436 12.952 1.00 0.00 O ATOM 89 CB PRO A 4 -12.241 -14.780 15.831 1.00 0.00 C ATOM 90 CG PRO A 4 -13.610 -14.389 16.266 1.00 0.00 C ATOM 91 CD PRO A 4 -13.534 -12.931 16.635 1.00 0.00 C ATOM 0 HA PRO A 4 -10.595 -13.427 15.247 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -12.270 -15.617 15.134 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -11.629 -15.091 16.678 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -14.333 -14.551 15.467 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -13.934 -14.989 17.116 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -14.449 -12.402 16.369 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -13.387 -12.795 17.707 1.00 0.00 H new ATOM 99 N LEU A 5 -12.704 -12.533 13.206 1.00 0.00 N ATOM 100 CA LEU A 5 -13.052 -12.428 11.793 1.00 0.00 C ATOM 101 C LEU A 5 -11.823 -12.093 10.952 1.00 0.00 C ATOM 102 O LEU A 5 -11.189 -11.056 11.149 1.00 0.00 O ATOM 103 CB LEU A 5 -14.131 -11.361 11.590 1.00 0.00 C ATOM 104 CG LEU A 5 -14.597 -11.172 10.143 1.00 0.00 C ATOM 105 CD1 LEU A 5 -15.188 -12.464 9.597 1.00 0.00 C ATOM 106 CD2 LEU A 5 -15.611 -10.043 10.054 1.00 0.00 C ATOM 0 H LEU A 5 -13.073 -11.781 13.788 1.00 0.00 H new ATOM 0 HA LEU A 5 -13.439 -13.393 11.467 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -14.995 -11.620 12.202 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -13.752 -10.408 11.960 1.00 0.00 H new ATOM 0 HG LEU A 5 -13.732 -10.908 9.535 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -15.513 -12.309 8.568 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -14.433 -13.250 9.625 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -16.042 -12.760 10.207 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -15.931 -9.922 9.019 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -16.474 -10.279 10.676 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -15.155 -9.116 10.403 1.00 0.00 H new ATOM 118 N SER A 6 -11.495 -12.981 10.016 1.00 0.00 N ATOM 119 CA SER A 6 -10.344 -12.786 9.139 1.00 0.00 C ATOM 120 C SER A 6 -9.052 -12.663 9.943 1.00 0.00 C ATOM 121 O SER A 6 -9.052 -12.816 11.165 1.00 0.00 O ATOM 122 CB SER A 6 -10.540 -11.541 8.271 1.00 0.00 C ATOM 123 OG SER A 6 -11.701 -11.659 7.466 1.00 0.00 O ATOM 0 H SER A 6 -12.011 -13.844 9.846 1.00 0.00 H new ATOM 0 HA SER A 6 -10.263 -13.661 8.494 1.00 0.00 H new ATOM 0 HB2 SER A 6 -10.622 -10.660 8.907 1.00 0.00 H new ATOM 0 HB3 SER A 6 -9.666 -11.395 7.636 1.00 0.00 H new ATOM 0 HG SER A 6 -11.805 -10.851 6.922 1.00 0.00 H new ATOM 129 N VAL A 7 -7.954 -12.388 9.247 1.00 0.00 N ATOM 130 CA VAL A 7 -6.654 -12.242 9.891 1.00 0.00 C ATOM 131 C VAL A 7 -6.387 -10.785 10.259 1.00 0.00 C ATOM 132 O VAL A 7 -6.843 -9.870 9.573 1.00 0.00 O ATOM 133 CB VAL A 7 -5.518 -12.751 8.982 1.00 0.00 C ATOM 134 CG1 VAL A 7 -4.193 -12.754 9.728 1.00 0.00 C ATOM 135 CG2 VAL A 7 -5.842 -14.139 8.450 1.00 0.00 C ATOM 0 H VAL A 7 -7.939 -12.262 8.235 1.00 0.00 H new ATOM 0 HA VAL A 7 -6.677 -12.844 10.799 1.00 0.00 H new ATOM 0 HB VAL A 7 -5.427 -12.073 8.134 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -3.405 -13.117 9.068 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -3.956 -11.741 10.053 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -4.267 -13.407 10.598 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -5.029 -14.482 7.810 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -5.963 -14.829 9.285 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -6.766 -14.101 7.873 1.00 0.00 H new ATOM 145 N LYS A 8 -5.645 -10.578 11.342 1.00 0.00 N ATOM 146 CA LYS A 8 -5.320 -9.232 11.799 1.00 0.00 C ATOM 147 C LYS A 8 -3.817 -9.011 11.816 1.00 0.00 C ATOM 148 O LYS A 8 -3.342 -7.899 12.050 1.00 0.00 O ATOM 149 CB LYS A 8 -5.893 -8.984 13.191 1.00 0.00 C ATOM 150 CG LYS A 8 -5.328 -9.899 14.269 1.00 0.00 C ATOM 151 CD LYS A 8 -5.979 -11.273 14.240 1.00 0.00 C ATOM 152 CE LYS A 8 -5.440 -12.166 15.347 1.00 0.00 C ATOM 153 NZ LYS A 8 -5.685 -11.588 16.696 1.00 0.00 N ATOM 0 H LYS A 8 -5.258 -11.325 11.919 1.00 0.00 H new ATOM 0 HA LYS A 8 -5.768 -8.527 11.099 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -5.701 -7.948 13.472 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -6.975 -9.109 13.154 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -4.252 -10.003 14.130 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -5.480 -9.445 15.248 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -7.059 -11.168 14.348 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -5.800 -11.742 13.272 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -5.909 -13.148 15.282 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -4.370 -12.314 15.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -5.557 -12.325 17.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -5.013 -10.814 16.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -6.657 -11.220 16.745 1.00 0.00 H new ATOM 167 N ASP A 9 -3.084 -10.085 11.577 1.00 0.00 N ATOM 168 CA ASP A 9 -1.624 -10.037 11.547 1.00 0.00 C ATOM 169 C ASP A 9 -1.150 -8.789 10.812 1.00 0.00 C ATOM 170 O ASP A 9 -1.425 -8.614 9.626 1.00 0.00 O ATOM 171 CB ASP A 9 -1.061 -11.285 10.868 1.00 0.00 C ATOM 172 CG ASP A 9 0.453 -11.345 10.929 1.00 0.00 C ATOM 173 OD1 ASP A 9 0.984 -11.913 11.907 1.00 0.00 O ATOM 174 OD2 ASP A 9 1.105 -10.825 10.001 1.00 0.00 O ATOM 0 H ASP A 9 -3.476 -11.010 11.399 1.00 0.00 H new ATOM 0 HA ASP A 9 -1.261 -10.002 12.574 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -1.476 -12.173 11.345 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -1.381 -11.304 9.826 1.00 0.00 H new ATOM 179 N ASN A 10 -0.437 -7.925 11.524 1.00 0.00 N ATOM 180 CA ASN A 10 0.050 -6.685 10.948 1.00 0.00 C ATOM 181 C ASN A 10 1.563 -6.555 11.049 1.00 0.00 C ATOM 182 O ASN A 10 2.278 -6.683 10.055 1.00 0.00 O ATOM 183 CB ASN A 10 -0.623 -5.497 11.639 1.00 0.00 C ATOM 184 CG ASN A 10 -0.732 -5.639 13.141 1.00 0.00 C ATOM 185 OD1 ASN A 10 -0.767 -6.743 13.682 1.00 0.00 O ATOM 186 ND2 ASN A 10 -0.800 -4.505 13.826 1.00 0.00 N ATOM 0 H ASN A 10 -0.185 -8.064 12.503 1.00 0.00 H new ATOM 0 HA ASN A 10 -0.204 -6.694 9.888 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -0.062 -4.591 11.410 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -1.622 -5.367 11.223 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -0.885 -4.527 14.842 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -0.767 -3.611 13.336 1.00 0.00 H new ATOM 193 N ASP A 11 2.029 -6.293 12.256 1.00 0.00 N ATOM 194 CA ASP A 11 3.441 -6.111 12.527 1.00 0.00 C ATOM 195 C ASP A 11 4.309 -7.146 11.819 1.00 0.00 C ATOM 196 O ASP A 11 4.396 -8.304 12.228 1.00 0.00 O ATOM 197 CB ASP A 11 3.680 -6.146 14.032 1.00 0.00 C ATOM 198 CG ASP A 11 3.297 -7.474 14.658 1.00 0.00 C ATOM 199 OD1 ASP A 11 2.092 -7.688 14.903 1.00 0.00 O ATOM 200 OD2 ASP A 11 4.203 -8.298 14.904 1.00 0.00 O ATOM 0 H ASP A 11 1.435 -6.200 13.080 1.00 0.00 H new ATOM 0 HA ASP A 11 3.733 -5.138 12.132 1.00 0.00 H new ATOM 0 HB2 ASP A 11 4.732 -5.945 14.233 1.00 0.00 H new ATOM 0 HB3 ASP A 11 3.107 -5.348 14.505 1.00 0.00 H new ATOM 205 N LYS A 12 4.940 -6.699 10.744 1.00 0.00 N ATOM 206 CA LYS A 12 5.841 -7.534 9.954 1.00 0.00 C ATOM 207 C LYS A 12 7.218 -6.895 9.956 1.00 0.00 C ATOM 208 O LYS A 12 7.794 -6.590 8.911 1.00 0.00 O ATOM 209 CB LYS A 12 5.323 -7.692 8.526 1.00 0.00 C ATOM 210 CG LYS A 12 4.820 -9.090 8.222 1.00 0.00 C ATOM 211 CD LYS A 12 5.856 -9.910 7.465 1.00 0.00 C ATOM 212 CE LYS A 12 7.094 -10.177 8.307 1.00 0.00 C ATOM 213 NZ LYS A 12 6.768 -10.926 9.553 1.00 0.00 N ATOM 0 H LYS A 12 4.844 -5.747 10.392 1.00 0.00 H new ATOM 0 HA LYS A 12 5.896 -8.530 10.394 1.00 0.00 H new ATOM 0 HB2 LYS A 12 4.516 -6.979 8.359 1.00 0.00 H new ATOM 0 HB3 LYS A 12 6.121 -7.440 7.827 1.00 0.00 H new ATOM 0 HG2 LYS A 12 4.566 -9.596 9.154 1.00 0.00 H new ATOM 0 HG3 LYS A 12 3.905 -9.027 7.633 1.00 0.00 H new ATOM 0 HD2 LYS A 12 5.415 -10.858 7.158 1.00 0.00 H new ATOM 0 HD3 LYS A 12 6.143 -9.382 6.555 1.00 0.00 H new ATOM 0 HE2 LYS A 12 7.816 -10.745 7.721 1.00 0.00 H new ATOM 0 HE3 LYS A 12 7.568 -9.230 8.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 6.966 -10.327 10.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 5.761 -11.187 9.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 7.349 -11.787 9.602 1.00 0.00 H new ATOM 227 N TRP A 13 7.727 -6.704 11.159 1.00 0.00 N ATOM 228 CA TRP A 13 9.003 -6.056 11.385 1.00 0.00 C ATOM 229 C TRP A 13 10.172 -6.995 11.121 1.00 0.00 C ATOM 230 O TRP A 13 10.275 -8.062 11.727 1.00 0.00 O ATOM 231 CB TRP A 13 9.012 -5.525 12.824 1.00 0.00 C ATOM 232 CG TRP A 13 7.717 -4.840 13.202 1.00 0.00 C ATOM 233 CD1 TRP A 13 6.672 -4.546 12.366 1.00 0.00 C ATOM 234 CD2 TRP A 13 7.324 -4.365 14.501 1.00 0.00 C ATOM 235 NE1 TRP A 13 5.665 -3.923 13.058 1.00 0.00 N ATOM 236 CE2 TRP A 13 6.037 -3.799 14.367 1.00 0.00 C ATOM 237 CE3 TRP A 13 7.929 -4.361 15.762 1.00 0.00 C ATOM 238 CZ2 TRP A 13 5.348 -3.241 15.440 1.00 0.00 C ATOM 239 CZ3 TRP A 13 7.244 -3.804 16.827 1.00 0.00 C ATOM 240 CH2 TRP A 13 5.966 -3.252 16.661 1.00 0.00 C ATOM 0 H TRP A 13 7.259 -6.999 12.016 1.00 0.00 H new ATOM 0 HA TRP A 13 9.126 -5.230 10.685 1.00 0.00 H new ATOM 0 HB2 TRP A 13 9.195 -6.351 13.511 1.00 0.00 H new ATOM 0 HB3 TRP A 13 9.838 -4.823 12.943 1.00 0.00 H new ATOM 0 HD1 TRP A 13 6.645 -4.773 11.310 1.00 0.00 H new ATOM 0 HE1 TRP A 13 4.782 -3.604 12.660 1.00 0.00 H new ATOM 0 HE3 TRP A 13 8.913 -4.785 15.902 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 4.363 -2.816 15.314 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 7.702 -3.794 17.805 1.00 0.00 H new ATOM 0 HH2 TRP A 13 5.459 -2.827 17.514 1.00 0.00 H new ATOM 251 N VAL A 14 11.059 -6.583 10.209 1.00 0.00 N ATOM 252 CA VAL A 14 12.217 -7.401 9.853 1.00 0.00 C ATOM 253 C VAL A 14 13.152 -6.682 8.895 1.00 0.00 C ATOM 254 O VAL A 14 12.775 -5.724 8.228 1.00 0.00 O ATOM 255 CB VAL A 14 11.773 -8.735 9.222 1.00 0.00 C ATOM 256 CG1 VAL A 14 10.854 -8.487 8.035 1.00 0.00 C ATOM 257 CG2 VAL A 14 12.968 -9.587 8.814 1.00 0.00 C ATOM 0 H VAL A 14 10.996 -5.696 9.709 1.00 0.00 H new ATOM 0 HA VAL A 14 12.758 -7.595 10.779 1.00 0.00 H new ATOM 0 HB VAL A 14 11.218 -9.291 9.978 1.00 0.00 H new ATOM 0 HG11 VAL A 14 10.552 -9.441 7.603 1.00 0.00 H new ATOM 0 HG12 VAL A 14 9.970 -7.942 8.367 1.00 0.00 H new ATOM 0 HG13 VAL A 14 11.381 -7.900 7.283 1.00 0.00 H new ATOM 0 HG21 VAL A 14 12.616 -10.520 8.373 1.00 0.00 H new ATOM 0 HG22 VAL A 14 13.569 -9.045 8.084 1.00 0.00 H new ATOM 0 HG23 VAL A 14 13.575 -9.807 9.692 1.00 0.00 H new ATOM 267 N ASP A 15 14.376 -7.177 8.844 1.00 0.00 N ATOM 268 CA ASP A 15 15.412 -6.622 7.983 1.00 0.00 C ATOM 269 C ASP A 15 15.016 -6.724 6.513 1.00 0.00 C ATOM 270 O ASP A 15 13.975 -7.294 6.181 1.00 0.00 O ATOM 271 CB ASP A 15 16.721 -7.367 8.225 1.00 0.00 C ATOM 272 CG ASP A 15 17.561 -6.730 9.315 1.00 0.00 C ATOM 273 OD1 ASP A 15 18.338 -5.806 9.000 1.00 0.00 O ATOM 274 OD2 ASP A 15 17.439 -7.157 10.483 1.00 0.00 O ATOM 0 H ASP A 15 14.683 -7.976 9.398 1.00 0.00 H new ATOM 0 HA ASP A 15 15.539 -5.567 8.224 1.00 0.00 H new ATOM 0 HB2 ASP A 15 16.502 -8.400 8.497 1.00 0.00 H new ATOM 0 HB3 ASP A 15 17.295 -7.396 7.299 1.00 0.00 H new ATOM 279 N THR A 16 15.851 -6.174 5.631 1.00 0.00 N ATOM 280 CA THR A 16 15.572 -6.207 4.198 1.00 0.00 C ATOM 281 C THR A 16 16.734 -5.640 3.385 1.00 0.00 C ATOM 282 O THR A 16 17.801 -5.346 3.923 1.00 0.00 O ATOM 283 CB THR A 16 14.292 -5.415 3.865 1.00 0.00 C ATOM 284 OG1 THR A 16 13.789 -5.810 2.584 1.00 0.00 O ATOM 285 CG2 THR A 16 14.559 -3.918 3.866 1.00 0.00 C ATOM 0 H THR A 16 16.720 -5.704 5.883 1.00 0.00 H new ATOM 0 HA THR A 16 15.432 -7.254 3.929 1.00 0.00 H new ATOM 0 HB THR A 16 13.551 -5.636 4.633 1.00 0.00 H new ATOM 0 HG1 THR A 16 14.118 -6.707 2.366 1.00 0.00 H new ATOM 0 HG21 THR A 16 13.639 -3.384 3.628 1.00 0.00 H new ATOM 0 HG22 THR A 16 14.912 -3.612 4.851 1.00 0.00 H new ATOM 0 HG23 THR A 16 15.318 -3.683 3.120 1.00 0.00 H new ATOM 293 N HIS A 17 16.510 -5.491 2.081 1.00 0.00 N ATOM 294 CA HIS A 17 17.522 -4.954 1.178 1.00 0.00 C ATOM 295 C HIS A 17 17.039 -3.648 0.552 1.00 0.00 C ATOM 296 O HIS A 17 16.019 -3.098 0.963 1.00 0.00 O ATOM 297 CB HIS A 17 17.849 -5.974 0.086 1.00 0.00 C ATOM 298 CG HIS A 17 18.878 -6.980 0.497 1.00 0.00 C ATOM 299 ND1 HIS A 17 18.561 -8.264 0.891 1.00 0.00 N ATOM 300 CD2 HIS A 17 20.227 -6.888 0.573 1.00 0.00 C ATOM 301 CE1 HIS A 17 19.670 -8.917 1.191 1.00 0.00 C ATOM 302 NE2 HIS A 17 20.694 -8.105 1.006 1.00 0.00 N ATOM 0 H HIS A 17 15.631 -5.737 1.626 1.00 0.00 H new ATOM 0 HA HIS A 17 18.426 -4.750 1.751 1.00 0.00 H new ATOM 0 HB2 HIS A 17 16.935 -6.496 -0.198 1.00 0.00 H new ATOM 0 HB3 HIS A 17 18.202 -5.446 -0.799 1.00 0.00 H new ATOM 0 HD2 HIS A 17 20.824 -6.020 0.337 1.00 0.00 H new ATOM 0 HE1 HIS A 17 19.729 -9.941 1.530 1.00 0.00 H new ATOM 0 HE2 HIS A 17 21.674 -8.343 1.160 1.00 0.00 H new ATOM 311 N VAL A 18 17.771 -3.159 -0.445 1.00 0.00 N ATOM 312 CA VAL A 18 17.409 -1.909 -1.109 1.00 0.00 C ATOM 313 C VAL A 18 16.489 -2.150 -2.301 1.00 0.00 C ATOM 314 O VAL A 18 16.775 -2.977 -3.168 1.00 0.00 O ATOM 315 CB VAL A 18 18.655 -1.138 -1.585 1.00 0.00 C ATOM 316 CG1 VAL A 18 18.256 0.211 -2.168 1.00 0.00 C ATOM 317 CG2 VAL A 18 19.643 -0.962 -0.443 1.00 0.00 C ATOM 0 H VAL A 18 18.613 -3.605 -0.809 1.00 0.00 H new ATOM 0 HA VAL A 18 16.880 -1.310 -0.367 1.00 0.00 H new ATOM 0 HB VAL A 18 19.142 -1.718 -2.369 1.00 0.00 H new ATOM 0 HG11 VAL A 18 19.148 0.742 -2.499 1.00 0.00 H new ATOM 0 HG12 VAL A 18 17.589 0.058 -3.016 1.00 0.00 H new ATOM 0 HG13 VAL A 18 17.745 0.800 -1.406 1.00 0.00 H new ATOM 0 HG21 VAL A 18 20.516 -0.415 -0.799 1.00 0.00 H new ATOM 0 HG22 VAL A 18 19.170 -0.404 0.365 1.00 0.00 H new ATOM 0 HG23 VAL A 18 19.952 -1.940 -0.075 1.00 0.00 H new ATOM 327 N GLY A 19 15.383 -1.414 -2.330 1.00 0.00 N ATOM 328 CA GLY A 19 14.422 -1.536 -3.410 1.00 0.00 C ATOM 329 C GLY A 19 13.869 -2.935 -3.562 1.00 0.00 C ATOM 330 O GLY A 19 13.282 -3.260 -4.592 1.00 0.00 O ATOM 0 H GLY A 19 15.134 -0.729 -1.617 1.00 0.00 H new ATOM 0 HA2 GLY A 19 13.598 -0.844 -3.234 1.00 0.00 H new ATOM 0 HA3 GLY A 19 14.896 -1.236 -4.345 1.00 0.00 H new ATOM 334 N LYS A 20 14.065 -3.773 -2.548 1.00 0.00 N ATOM 335 CA LYS A 20 13.552 -5.132 -2.590 1.00 0.00 C ATOM 336 C LYS A 20 12.032 -5.096 -2.659 1.00 0.00 C ATOM 337 O LYS A 20 11.350 -5.168 -1.635 1.00 0.00 O ATOM 338 CB LYS A 20 14.014 -5.923 -1.367 1.00 0.00 C ATOM 339 CG LYS A 20 14.333 -7.372 -1.671 1.00 0.00 C ATOM 340 CD LYS A 20 15.692 -7.484 -2.321 1.00 0.00 C ATOM 341 CE LYS A 20 16.210 -8.913 -2.308 1.00 0.00 C ATOM 342 NZ LYS A 20 15.299 -9.841 -3.035 1.00 0.00 N ATOM 0 H LYS A 20 14.571 -3.535 -1.695 1.00 0.00 H new ATOM 0 HA LYS A 20 13.941 -5.631 -3.477 1.00 0.00 H new ATOM 0 HB2 LYS A 20 14.899 -5.444 -0.948 1.00 0.00 H new ATOM 0 HB3 LYS A 20 13.237 -5.883 -0.603 1.00 0.00 H new ATOM 0 HG2 LYS A 20 14.313 -7.957 -0.751 1.00 0.00 H new ATOM 0 HG3 LYS A 20 13.571 -7.789 -2.330 1.00 0.00 H new ATOM 0 HD2 LYS A 20 15.633 -7.129 -3.350 1.00 0.00 H new ATOM 0 HD3 LYS A 20 16.398 -6.837 -1.800 1.00 0.00 H new ATOM 0 HE2 LYS A 20 17.200 -8.945 -2.764 1.00 0.00 H new ATOM 0 HE3 LYS A 20 16.323 -9.249 -1.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 15.721 -10.791 -3.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 14.382 -9.882 -2.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 15.157 -9.498 -4.007 1.00 0.00 H new ATOM 356 N THR A 21 11.514 -4.964 -3.875 1.00 0.00 N ATOM 357 CA THR A 21 10.078 -4.886 -4.104 1.00 0.00 C ATOM 358 C THR A 21 9.317 -5.917 -3.284 1.00 0.00 C ATOM 359 O THR A 21 9.297 -7.103 -3.615 1.00 0.00 O ATOM 360 CB THR A 21 9.736 -5.078 -5.591 1.00 0.00 C ATOM 361 OG1 THR A 21 10.621 -4.298 -6.403 1.00 0.00 O ATOM 362 CG2 THR A 21 8.300 -4.665 -5.863 1.00 0.00 C ATOM 0 H THR A 21 12.075 -4.908 -4.725 1.00 0.00 H new ATOM 0 HA THR A 21 9.771 -3.889 -3.789 1.00 0.00 H new ATOM 0 HB THR A 21 9.854 -6.133 -5.838 1.00 0.00 H new ATOM 0 HG1 THR A 21 10.397 -4.428 -7.348 1.00 0.00 H new ATOM 0 HG21 THR A 21 8.074 -4.807 -6.920 1.00 0.00 H new ATOM 0 HG22 THR A 21 7.626 -5.276 -5.263 1.00 0.00 H new ATOM 0 HG23 THR A 21 8.168 -3.615 -5.602 1.00 0.00 H new ATOM 370 N THR A 22 8.694 -5.452 -2.208 1.00 0.00 N ATOM 371 CA THR A 22 7.920 -6.322 -1.338 1.00 0.00 C ATOM 372 C THR A 22 6.453 -6.306 -1.735 1.00 0.00 C ATOM 373 O THR A 22 5.697 -5.422 -1.331 1.00 0.00 O ATOM 374 CB THR A 22 8.057 -5.904 0.142 1.00 0.00 C ATOM 375 OG1 THR A 22 9.431 -5.970 0.542 1.00 0.00 O ATOM 376 CG2 THR A 22 7.220 -6.795 1.049 1.00 0.00 C ATOM 0 H THR A 22 8.711 -4.474 -1.918 1.00 0.00 H new ATOM 0 HA THR A 22 8.315 -7.332 -1.451 1.00 0.00 H new ATOM 0 HB THR A 22 7.693 -4.881 0.237 1.00 0.00 H new ATOM 0 HG1 THR A 22 10.006 -5.809 -0.235 1.00 0.00 H new ATOM 0 HG21 THR A 22 7.339 -6.474 2.084 1.00 0.00 H new ATOM 0 HG22 THR A 22 6.171 -6.721 0.764 1.00 0.00 H new ATOM 0 HG23 THR A 22 7.551 -7.829 0.949 1.00 0.00 H new ATOM 384 N GLU A 23 6.071 -7.284 -2.550 1.00 0.00 N ATOM 385 CA GLU A 23 4.707 -7.412 -3.018 1.00 0.00 C ATOM 386 C GLU A 23 3.842 -8.099 -1.978 1.00 0.00 C ATOM 387 O GLU A 23 4.213 -9.139 -1.434 1.00 0.00 O ATOM 388 CB GLU A 23 4.684 -8.205 -4.315 1.00 0.00 C ATOM 389 CG GLU A 23 3.320 -8.221 -4.975 1.00 0.00 C ATOM 390 CD GLU A 23 3.349 -8.823 -6.366 1.00 0.00 C ATOM 391 OE1 GLU A 23 3.410 -10.065 -6.474 1.00 0.00 O ATOM 392 OE2 GLU A 23 3.310 -8.052 -7.347 1.00 0.00 O ATOM 0 H GLU A 23 6.701 -8.005 -2.900 1.00 0.00 H new ATOM 0 HA GLU A 23 4.305 -6.414 -3.193 1.00 0.00 H new ATOM 0 HB2 GLU A 23 5.411 -7.780 -5.007 1.00 0.00 H new ATOM 0 HB3 GLU A 23 4.996 -9.230 -4.114 1.00 0.00 H new ATOM 0 HG2 GLU A 23 2.627 -8.787 -4.353 1.00 0.00 H new ATOM 0 HG3 GLU A 23 2.937 -7.202 -5.033 1.00 0.00 H new ATOM 399 N ILE A 24 2.687 -7.511 -1.706 1.00 0.00 N ATOM 400 CA ILE A 24 1.772 -8.064 -0.725 1.00 0.00 C ATOM 401 C ILE A 24 0.326 -7.972 -1.183 1.00 0.00 C ATOM 402 O ILE A 24 -0.282 -6.902 -1.140 1.00 0.00 O ATOM 403 CB ILE A 24 1.904 -7.335 0.616 1.00 0.00 C ATOM 404 CG1 ILE A 24 3.371 -7.269 1.045 1.00 0.00 C ATOM 405 CG2 ILE A 24 1.055 -8.024 1.676 1.00 0.00 C ATOM 406 CD1 ILE A 24 3.600 -6.504 2.330 1.00 0.00 C ATOM 0 H ILE A 24 2.363 -6.652 -2.151 1.00 0.00 H new ATOM 0 HA ILE A 24 2.041 -9.114 -0.608 1.00 0.00 H new ATOM 0 HB ILE A 24 1.540 -6.314 0.499 1.00 0.00 H new ATOM 0 HG12 ILE A 24 3.750 -8.284 1.165 1.00 0.00 H new ATOM 0 HG13 ILE A 24 3.952 -6.804 0.248 1.00 0.00 H new ATOM 0 HG21 ILE A 24 1.158 -7.496 2.624 1.00 0.00 H new ATOM 0 HG22 ILE A 24 0.010 -8.015 1.367 1.00 0.00 H new ATOM 0 HG23 ILE A 24 1.389 -9.055 1.796 1.00 0.00 H new ATOM 0 HD11 ILE A 24 4.664 -6.502 2.567 1.00 0.00 H new ATOM 0 HD12 ILE A 24 3.253 -5.478 2.209 1.00 0.00 H new ATOM 0 HD13 ILE A 24 3.048 -6.981 3.140 1.00 0.00 H new ATOM 418 N HIS A 25 -0.212 -9.095 -1.635 1.00 0.00 N ATOM 419 CA HIS A 25 -1.597 -9.154 -2.064 1.00 0.00 C ATOM 420 C HIS A 25 -2.489 -9.336 -0.845 1.00 0.00 C ATOM 421 O HIS A 25 -2.604 -10.435 -0.303 1.00 0.00 O ATOM 422 CB HIS A 25 -1.813 -10.307 -3.040 1.00 0.00 C ATOM 423 CG HIS A 25 -0.688 -10.494 -4.011 1.00 0.00 C ATOM 424 ND1 HIS A 25 0.105 -11.623 -4.036 1.00 0.00 N ATOM 425 CD2 HIS A 25 -0.229 -9.692 -5.000 1.00 0.00 C ATOM 426 CE1 HIS A 25 1.003 -11.505 -4.997 1.00 0.00 C ATOM 427 NE2 HIS A 25 0.822 -10.343 -5.597 1.00 0.00 N ATOM 0 H HIS A 25 0.292 -9.978 -1.713 1.00 0.00 H new ATOM 0 HA HIS A 25 -1.849 -8.224 -2.574 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -1.950 -11.229 -2.475 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -2.735 -10.133 -3.595 1.00 0.00 H new ATOM 0 HD1 HIS A 25 0.012 -12.423 -3.410 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -0.617 -8.721 -5.269 1.00 0.00 H new ATOM 0 HE1 HIS A 25 1.758 -12.235 -5.249 1.00 0.00 H new ATOM 436 N LEU A 26 -3.115 -8.251 -0.417 1.00 0.00 N ATOM 437 CA LEU A 26 -3.976 -8.278 0.755 1.00 0.00 C ATOM 438 C LEU A 26 -5.426 -8.480 0.350 1.00 0.00 C ATOM 439 O LEU A 26 -5.863 -7.991 -0.688 1.00 0.00 O ATOM 440 CB LEU A 26 -3.842 -6.972 1.535 1.00 0.00 C ATOM 441 CG LEU A 26 -2.412 -6.567 1.906 1.00 0.00 C ATOM 442 CD1 LEU A 26 -2.333 -5.067 2.146 1.00 0.00 C ATOM 443 CD2 LEU A 26 -1.940 -7.325 3.138 1.00 0.00 C ATOM 0 H LEU A 26 -3.043 -7.338 -0.865 1.00 0.00 H new ATOM 0 HA LEU A 26 -3.667 -9.111 1.386 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -4.286 -6.170 0.945 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.426 -7.055 2.451 1.00 0.00 H new ATOM 0 HG LEU A 26 -1.756 -6.824 1.074 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.311 -4.794 2.409 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.629 -4.538 1.240 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.003 -4.793 2.961 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -0.922 -7.022 3.384 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.598 -7.101 3.977 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.961 -8.396 2.937 1.00 0.00 H new ATOM 455 N LYS A 27 -6.169 -9.198 1.174 1.00 0.00 N ATOM 456 CA LYS A 27 -7.573 -9.455 0.895 1.00 0.00 C ATOM 457 C LYS A 27 -8.453 -8.506 1.694 1.00 0.00 C ATOM 458 O LYS A 27 -8.010 -7.915 2.680 1.00 0.00 O ATOM 459 CB LYS A 27 -7.931 -10.904 1.218 1.00 0.00 C ATOM 460 CG LYS A 27 -6.880 -11.907 0.769 1.00 0.00 C ATOM 461 CD LYS A 27 -5.768 -12.058 1.796 1.00 0.00 C ATOM 462 CE LYS A 27 -4.737 -13.084 1.355 1.00 0.00 C ATOM 463 NZ LYS A 27 -3.641 -13.237 2.351 1.00 0.00 N ATOM 0 H LYS A 27 -5.826 -9.613 2.040 1.00 0.00 H new ATOM 0 HA LYS A 27 -7.747 -9.285 -0.168 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -8.078 -11.002 2.294 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -8.881 -11.149 0.743 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -7.351 -12.875 0.598 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -6.455 -11.587 -0.182 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -5.281 -11.095 1.951 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -6.194 -12.357 2.754 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -5.225 -14.046 1.203 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -4.316 -12.785 0.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -2.960 -13.946 2.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -3.157 -12.325 2.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -4.039 -13.547 3.260 1.00 0.00 H new ATOM 477 N GLY A 28 -9.699 -8.365 1.267 1.00 0.00 N ATOM 478 CA GLY A 28 -10.615 -7.474 1.950 1.00 0.00 C ATOM 479 C GLY A 28 -11.973 -7.411 1.280 1.00 0.00 C ATOM 480 O GLY A 28 -12.438 -8.399 0.711 1.00 0.00 O ATOM 0 H GLY A 28 -10.092 -8.851 0.461 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -10.737 -7.805 2.981 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -10.184 -6.473 1.986 1.00 0.00 H new ATOM 484 N ASN A 29 -12.609 -6.243 1.345 1.00 0.00 N ATOM 485 CA ASN A 29 -13.924 -6.050 0.744 1.00 0.00 C ATOM 486 C ASN A 29 -14.359 -4.586 0.850 1.00 0.00 C ATOM 487 O ASN A 29 -14.925 -4.177 1.862 1.00 0.00 O ATOM 488 CB ASN A 29 -14.954 -6.952 1.429 1.00 0.00 C ATOM 489 CG ASN A 29 -16.304 -6.918 0.743 1.00 0.00 C ATOM 490 OD1 ASN A 29 -16.395 -6.716 -0.467 1.00 0.00 O ATOM 491 ND2 ASN A 29 -17.365 -7.117 1.518 1.00 0.00 N ATOM 0 H ASN A 29 -12.233 -5.416 1.809 1.00 0.00 H new ATOM 0 HA ASN A 29 -13.861 -6.317 -0.311 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -14.583 -7.977 1.442 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -15.070 -6.642 2.467 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -18.301 -7.106 1.114 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -17.243 -7.281 2.517 1.00 0.00 H new ATOM 498 N PRO A 30 -14.091 -3.775 -0.192 1.00 0.00 N ATOM 499 CA PRO A 30 -14.458 -2.353 -0.206 1.00 0.00 C ATOM 500 C PRO A 30 -15.946 -2.119 0.039 1.00 0.00 C ATOM 501 O PRO A 30 -16.337 -1.084 0.579 1.00 0.00 O ATOM 502 CB PRO A 30 -14.078 -1.884 -1.618 1.00 0.00 C ATOM 503 CG PRO A 30 -13.865 -3.130 -2.410 1.00 0.00 C ATOM 504 CD PRO A 30 -13.402 -4.167 -1.431 1.00 0.00 C ATOM 0 HA PRO A 30 -13.950 -1.811 0.591 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -14.868 -1.273 -2.054 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -13.176 -1.273 -1.599 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -14.786 -3.442 -2.902 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -13.123 -2.973 -3.193 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -13.678 -5.173 -1.747 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -12.319 -4.156 -1.312 1.00 0.00 H new ATOM 512 N THR A 31 -16.773 -3.081 -0.359 1.00 0.00 N ATOM 513 CA THR A 31 -18.217 -2.963 -0.185 1.00 0.00 C ATOM 514 C THR A 31 -18.591 -2.814 1.286 1.00 0.00 C ATOM 515 O THR A 31 -19.701 -2.392 1.612 1.00 0.00 O ATOM 516 CB THR A 31 -18.958 -4.181 -0.770 1.00 0.00 C ATOM 517 OG1 THR A 31 -18.634 -5.359 -0.023 1.00 0.00 O ATOM 518 CG2 THR A 31 -18.592 -4.386 -2.232 1.00 0.00 C ATOM 0 H THR A 31 -16.470 -3.948 -0.803 1.00 0.00 H new ATOM 0 HA THR A 31 -18.522 -2.067 -0.725 1.00 0.00 H new ATOM 0 HB THR A 31 -20.029 -3.992 -0.702 1.00 0.00 H new ATOM 0 HG1 THR A 31 -18.008 -5.911 -0.537 1.00 0.00 H new ATOM 0 HG21 THR A 31 -19.127 -5.251 -2.623 1.00 0.00 H new ATOM 0 HG22 THR A 31 -18.868 -3.500 -2.804 1.00 0.00 H new ATOM 0 HG23 THR A 31 -17.518 -4.554 -2.318 1.00 0.00 H new ATOM 526 N THR A 32 -17.662 -3.159 2.173 1.00 0.00 N ATOM 527 CA THR A 32 -17.902 -3.057 3.608 1.00 0.00 C ATOM 528 C THR A 32 -17.952 -1.598 4.047 1.00 0.00 C ATOM 529 O THR A 32 -18.895 -1.174 4.717 1.00 0.00 O ATOM 530 CB THR A 32 -16.817 -3.787 4.420 1.00 0.00 C ATOM 531 OG1 THR A 32 -15.536 -3.192 4.179 1.00 0.00 O ATOM 532 CG2 THR A 32 -16.773 -5.264 4.060 1.00 0.00 C ATOM 0 H THR A 32 -16.738 -3.511 1.923 1.00 0.00 H new ATOM 0 HA THR A 32 -18.864 -3.532 3.802 1.00 0.00 H new ATOM 0 HB THR A 32 -17.064 -3.694 5.478 1.00 0.00 H new ATOM 0 HG1 THR A 32 -15.101 -3.645 3.427 1.00 0.00 H new ATOM 0 HG21 THR A 32 -15.999 -5.759 4.647 1.00 0.00 H new ATOM 0 HG22 THR A 32 -17.739 -5.720 4.276 1.00 0.00 H new ATOM 0 HG23 THR A 32 -16.550 -5.373 2.999 1.00 0.00 H new ATOM 540 N GLY A 33 -16.933 -0.835 3.668 1.00 0.00 N ATOM 541 CA GLY A 33 -16.883 0.569 4.030 1.00 0.00 C ATOM 542 C GLY A 33 -15.472 1.057 4.298 1.00 0.00 C ATOM 543 O GLY A 33 -15.234 2.262 4.389 1.00 0.00 O ATOM 0 H GLY A 33 -16.141 -1.164 3.116 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -17.321 1.162 3.228 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -17.494 0.733 4.918 1.00 0.00 H new ATOM 547 N TYR A 34 -14.532 0.124 4.423 1.00 0.00 N ATOM 548 CA TYR A 34 -13.141 0.477 4.686 1.00 0.00 C ATOM 549 C TYR A 34 -12.257 0.210 3.468 1.00 0.00 C ATOM 550 O TYR A 34 -12.731 -0.231 2.421 1.00 0.00 O ATOM 551 CB TYR A 34 -12.605 -0.303 5.889 1.00 0.00 C ATOM 552 CG TYR A 34 -13.257 0.058 7.205 1.00 0.00 C ATOM 553 CD1 TYR A 34 -14.510 -0.440 7.538 1.00 0.00 C ATOM 554 CD2 TYR A 34 -12.616 0.888 8.121 1.00 0.00 C ATOM 555 CE1 TYR A 34 -15.108 -0.122 8.744 1.00 0.00 C ATOM 556 CE2 TYR A 34 -13.209 1.210 9.327 1.00 0.00 C ATOM 557 CZ TYR A 34 -14.454 0.703 9.633 1.00 0.00 C ATOM 558 OH TYR A 34 -15.046 1.021 10.834 1.00 0.00 O ATOM 0 H TYR A 34 -14.707 -0.878 4.347 1.00 0.00 H new ATOM 0 HA TYR A 34 -13.112 1.544 4.906 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -12.745 -1.369 5.708 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -11.532 -0.131 5.970 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -15.026 -1.086 6.844 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -11.640 1.286 7.885 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -16.083 -0.518 8.988 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -12.699 1.856 10.027 1.00 0.00 H new ATOM 0 HH TYR A 34 -14.453 1.611 11.345 1.00 0.00 H new ATOM 568 N MET A 35 -10.966 0.485 3.627 1.00 0.00 N ATOM 569 CA MET A 35 -9.987 0.294 2.584 1.00 0.00 C ATOM 570 C MET A 35 -8.656 -0.098 3.197 1.00 0.00 C ATOM 571 O MET A 35 -8.343 0.292 4.321 1.00 0.00 O ATOM 572 CB MET A 35 -9.802 1.587 1.797 1.00 0.00 C ATOM 573 CG MET A 35 -8.425 1.711 1.171 1.00 0.00 C ATOM 574 SD MET A 35 -8.175 3.284 0.326 1.00 0.00 S ATOM 575 CE MET A 35 -9.427 3.189 -0.952 1.00 0.00 C ATOM 0 H MET A 35 -10.575 0.850 4.496 1.00 0.00 H new ATOM 0 HA MET A 35 -10.337 -0.494 1.917 1.00 0.00 H new ATOM 0 HB2 MET A 35 -10.557 1.639 1.013 1.00 0.00 H new ATOM 0 HB3 MET A 35 -9.971 2.436 2.459 1.00 0.00 H new ATOM 0 HG2 MET A 35 -7.668 1.597 1.947 1.00 0.00 H new ATOM 0 HG3 MET A 35 -8.280 0.896 0.461 1.00 0.00 H new ATOM 0 HE1 MET A 35 -8.947 3.066 -1.923 1.00 0.00 H new ATOM 0 HE2 MET A 35 -10.080 2.337 -0.759 1.00 0.00 H new ATOM 0 HE3 MET A 35 -10.017 4.106 -0.952 1.00 0.00 H new ATOM 585 N TRP A 36 -7.872 -0.850 2.450 1.00 0.00 N ATOM 586 CA TRP A 36 -6.566 -1.266 2.919 1.00 0.00 C ATOM 587 C TRP A 36 -5.481 -0.452 2.233 1.00 0.00 C ATOM 588 O TRP A 36 -4.893 -0.885 1.241 1.00 0.00 O ATOM 589 CB TRP A 36 -6.347 -2.749 2.665 1.00 0.00 C ATOM 590 CG TRP A 36 -6.391 -3.574 3.912 1.00 0.00 C ATOM 591 CD1 TRP A 36 -7.224 -4.623 4.177 1.00 0.00 C ATOM 592 CD2 TRP A 36 -5.571 -3.409 5.068 1.00 0.00 C ATOM 593 NE1 TRP A 36 -6.969 -5.120 5.433 1.00 0.00 N ATOM 594 CE2 TRP A 36 -5.957 -4.392 5.999 1.00 0.00 C ATOM 595 CE3 TRP A 36 -4.544 -2.526 5.408 1.00 0.00 C ATOM 596 CZ2 TRP A 36 -5.354 -4.513 7.244 1.00 0.00 C ATOM 597 CZ3 TRP A 36 -3.945 -2.648 6.645 1.00 0.00 C ATOM 598 CH2 TRP A 36 -4.352 -3.636 7.550 1.00 0.00 C ATOM 0 H TRP A 36 -8.116 -1.185 1.518 1.00 0.00 H new ATOM 0 HA TRP A 36 -6.516 -1.092 3.994 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -7.108 -3.108 1.972 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -5.382 -2.889 2.179 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -7.973 -5.006 3.500 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -7.454 -5.903 5.871 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -4.224 -1.762 4.715 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -5.666 -5.273 7.945 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -3.150 -1.971 6.920 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -3.863 -3.706 8.511 1.00 0.00 H new ATOM 609 N THR A 37 -5.230 0.736 2.764 1.00 0.00 N ATOM 610 CA THR A 37 -4.225 1.626 2.202 1.00 0.00 C ATOM 611 C THR A 37 -3.251 2.084 3.290 1.00 0.00 C ATOM 612 O THR A 37 -3.557 1.985 4.478 1.00 0.00 O ATOM 613 CB THR A 37 -4.885 2.848 1.536 1.00 0.00 C ATOM 614 OG1 THR A 37 -3.883 3.702 0.975 1.00 0.00 O ATOM 615 CG2 THR A 37 -5.716 3.630 2.542 1.00 0.00 C ATOM 0 H THR A 37 -5.710 1.106 3.585 1.00 0.00 H new ATOM 0 HA THR A 37 -3.672 1.075 1.441 1.00 0.00 H new ATOM 0 HB THR A 37 -5.542 2.490 0.744 1.00 0.00 H new ATOM 0 HG1 THR A 37 -4.056 4.629 1.242 1.00 0.00 H new ATOM 0 HG21 THR A 37 -6.172 4.488 2.048 1.00 0.00 H new ATOM 0 HG22 THR A 37 -6.497 2.987 2.947 1.00 0.00 H new ATOM 0 HG23 THR A 37 -5.075 3.976 3.353 1.00 0.00 H new ATOM 623 N ARG A 38 -2.081 2.581 2.888 1.00 0.00 N ATOM 624 CA ARG A 38 -1.074 3.032 3.849 1.00 0.00 C ATOM 625 C ARG A 38 -1.650 4.067 4.817 1.00 0.00 C ATOM 626 O ARG A 38 -2.430 4.933 4.422 1.00 0.00 O ATOM 627 CB ARG A 38 0.143 3.614 3.122 1.00 0.00 C ATOM 628 CG ARG A 38 1.318 2.670 3.025 1.00 0.00 C ATOM 629 CD ARG A 38 2.026 2.809 1.692 1.00 0.00 C ATOM 630 NE ARG A 38 1.293 2.138 0.622 1.00 0.00 N ATOM 631 CZ ARG A 38 0.936 0.856 0.665 1.00 0.00 C ATOM 632 NH1 ARG A 38 1.337 0.083 1.662 1.00 0.00 N ATOM 633 NH2 ARG A 38 0.200 0.336 -0.302 1.00 0.00 N ATOM 0 H ARG A 38 -1.808 2.681 1.910 1.00 0.00 H new ATOM 0 HA ARG A 38 -0.760 2.163 4.428 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -0.156 3.908 2.116 1.00 0.00 H new ATOM 0 HB3 ARG A 38 0.461 4.520 3.638 1.00 0.00 H new ATOM 0 HG2 ARG A 38 2.019 2.874 3.835 1.00 0.00 H new ATOM 0 HG3 ARG A 38 0.974 1.643 3.152 1.00 0.00 H new ATOM 0 HD2 ARG A 38 2.141 3.865 1.449 1.00 0.00 H new ATOM 0 HD3 ARG A 38 3.029 2.388 1.766 1.00 0.00 H new ATOM 0 HE ARG A 38 1.041 2.681 -0.204 1.00 0.00 H new ATOM 0 HH11 ARG A 38 1.923 0.469 2.403 1.00 0.00 H new ATOM 0 HH12 ARG A 38 1.060 -0.898 1.690 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -0.097 0.917 -1.086 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -0.071 -0.647 -0.265 1.00 0.00 H new ATOM 647 N VAL A 39 -1.264 3.956 6.088 1.00 0.00 N ATOM 648 CA VAL A 39 -1.727 4.874 7.128 1.00 0.00 C ATOM 649 C VAL A 39 -1.525 6.327 6.713 1.00 0.00 C ATOM 650 O VAL A 39 -0.512 6.674 6.106 1.00 0.00 O ATOM 651 CB VAL A 39 -0.986 4.630 8.460 1.00 0.00 C ATOM 652 CG1 VAL A 39 -1.552 5.519 9.558 1.00 0.00 C ATOM 653 CG2 VAL A 39 -1.060 3.163 8.862 1.00 0.00 C ATOM 0 H VAL A 39 -0.627 3.234 6.424 1.00 0.00 H new ATOM 0 HA VAL A 39 -2.791 4.682 7.266 1.00 0.00 H new ATOM 0 HB VAL A 39 0.063 4.888 8.317 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -1.017 5.333 10.489 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.435 6.565 9.276 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -2.610 5.297 9.697 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -0.531 3.017 9.804 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -2.103 2.871 8.983 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -0.599 2.550 8.088 1.00 0.00 H new ATOM 663 N GLY A 40 -2.497 7.172 7.048 1.00 0.00 N ATOM 664 CA GLY A 40 -2.409 8.580 6.705 1.00 0.00 C ATOM 665 C GLY A 40 -2.452 8.816 5.207 1.00 0.00 C ATOM 666 O GLY A 40 -2.394 9.958 4.750 1.00 0.00 O ATOM 0 H GLY A 40 -3.344 6.906 7.551 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -3.230 9.118 7.178 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -1.484 8.992 7.108 1.00 0.00 H new ATOM 670 N PHE A 41 -2.553 7.732 4.445 1.00 0.00 N ATOM 671 CA PHE A 41 -2.602 7.819 2.992 1.00 0.00 C ATOM 672 C PHE A 41 -3.928 7.286 2.459 1.00 0.00 C ATOM 673 O PHE A 41 -3.964 6.481 1.529 1.00 0.00 O ATOM 674 CB PHE A 41 -1.420 7.064 2.375 1.00 0.00 C ATOM 675 CG PHE A 41 -0.077 7.640 2.747 1.00 0.00 C ATOM 676 CD1 PHE A 41 0.054 8.982 3.077 1.00 0.00 C ATOM 677 CD2 PHE A 41 1.055 6.839 2.771 1.00 0.00 C ATOM 678 CE1 PHE A 41 1.283 9.511 3.422 1.00 0.00 C ATOM 679 CE2 PHE A 41 2.286 7.363 3.117 1.00 0.00 C ATOM 680 CZ PHE A 41 2.401 8.700 3.442 1.00 0.00 C ATOM 0 H PHE A 41 -2.603 6.781 4.812 1.00 0.00 H new ATOM 0 HA PHE A 41 -2.527 8.868 2.706 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -1.460 6.022 2.692 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -1.521 7.071 1.290 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -0.816 9.621 3.064 1.00 0.00 H new ATOM 0 HD2 PHE A 41 0.973 5.793 2.516 1.00 0.00 H new ATOM 0 HE1 PHE A 41 1.369 10.557 3.676 1.00 0.00 H new ATOM 0 HE2 PHE A 41 3.158 6.727 3.133 1.00 0.00 H new ATOM 0 HZ PHE A 41 3.363 9.111 3.711 1.00 0.00 H new ATOM 690 N VAL A 42 -5.017 7.726 3.081 1.00 0.00 N ATOM 691 CA VAL A 42 -6.354 7.338 2.657 1.00 0.00 C ATOM 692 C VAL A 42 -6.912 8.376 1.687 1.00 0.00 C ATOM 693 O VAL A 42 -6.898 9.574 1.975 1.00 0.00 O ATOM 694 CB VAL A 42 -7.300 7.190 3.863 1.00 0.00 C ATOM 695 CG1 VAL A 42 -7.392 8.491 4.646 1.00 0.00 C ATOM 696 CG2 VAL A 42 -8.677 6.733 3.409 1.00 0.00 C ATOM 0 H VAL A 42 -4.997 8.355 3.884 1.00 0.00 H new ATOM 0 HA VAL A 42 -6.284 6.371 2.158 1.00 0.00 H new ATOM 0 HB VAL A 42 -6.888 6.429 4.526 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -8.066 8.359 5.492 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -6.402 8.767 5.010 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -7.773 9.280 3.998 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -9.331 6.634 4.275 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -9.095 7.467 2.720 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -8.593 5.770 2.906 1.00 0.00 H new ATOM 706 N GLY A 43 -7.398 7.922 0.534 1.00 0.00 N ATOM 707 CA GLY A 43 -7.923 8.847 -0.456 1.00 0.00 C ATOM 708 C GLY A 43 -6.848 9.809 -0.928 1.00 0.00 C ATOM 709 O GLY A 43 -7.134 10.839 -1.537 1.00 0.00 O ATOM 0 H GLY A 43 -7.438 6.938 0.269 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -8.316 8.290 -1.307 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -8.755 9.407 -0.030 1.00 0.00 H new ATOM 713 N LYS A 44 -5.604 9.449 -0.633 1.00 0.00 N ATOM 714 CA LYS A 44 -4.437 10.244 -0.990 1.00 0.00 C ATOM 715 C LYS A 44 -4.185 10.232 -2.498 1.00 0.00 C ATOM 716 O LYS A 44 -5.052 9.848 -3.283 1.00 0.00 O ATOM 717 CB LYS A 44 -3.225 9.668 -0.264 1.00 0.00 C ATOM 718 CG LYS A 44 -3.040 8.187 -0.519 1.00 0.00 C ATOM 719 CD LYS A 44 -2.075 7.928 -1.652 1.00 0.00 C ATOM 720 CE LYS A 44 -2.776 7.319 -2.860 1.00 0.00 C ATOM 721 NZ LYS A 44 -3.522 6.079 -2.511 1.00 0.00 N ATOM 0 H LYS A 44 -5.376 8.589 -0.135 1.00 0.00 H new ATOM 0 HA LYS A 44 -4.612 11.279 -0.695 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -2.329 10.202 -0.581 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -3.334 9.837 0.807 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -2.674 7.705 0.388 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -4.004 7.735 -0.753 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -1.595 8.863 -1.942 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -1.286 7.257 -1.312 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -3.466 8.049 -3.284 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -2.039 7.093 -3.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -4.421 6.056 -3.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -2.952 5.247 -2.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -3.714 6.066 -1.489 1.00 0.00 H new ATOM 735 N ASP A 45 -2.984 10.659 -2.890 1.00 0.00 N ATOM 736 CA ASP A 45 -2.586 10.690 -4.285 1.00 0.00 C ATOM 737 C ASP A 45 -1.510 9.640 -4.549 1.00 0.00 C ATOM 738 O ASP A 45 -1.554 8.922 -5.548 1.00 0.00 O ATOM 739 CB ASP A 45 -2.061 12.077 -4.642 1.00 0.00 C ATOM 740 CG ASP A 45 -3.172 13.099 -4.788 1.00 0.00 C ATOM 741 OD1 ASP A 45 -3.524 13.741 -3.777 1.00 0.00 O ATOM 742 OD2 ASP A 45 -3.689 13.257 -5.914 1.00 0.00 O ATOM 0 H ASP A 45 -2.266 10.991 -2.246 1.00 0.00 H new ATOM 0 HA ASP A 45 -3.454 10.466 -4.906 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -1.366 12.408 -3.871 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -1.499 12.020 -5.574 1.00 0.00 H new ATOM 747 N VAL A 46 -0.546 9.562 -3.635 1.00 0.00 N ATOM 748 CA VAL A 46 0.543 8.598 -3.737 1.00 0.00 C ATOM 749 C VAL A 46 0.995 8.132 -2.361 1.00 0.00 C ATOM 750 O VAL A 46 1.493 8.915 -1.552 1.00 0.00 O ATOM 751 CB VAL A 46 1.741 9.179 -4.514 1.00 0.00 C ATOM 752 CG1 VAL A 46 3.057 8.572 -4.049 1.00 0.00 C ATOM 753 CG2 VAL A 46 1.544 8.948 -5.996 1.00 0.00 C ATOM 0 H VAL A 46 -0.499 10.160 -2.810 1.00 0.00 H new ATOM 0 HA VAL A 46 0.159 7.740 -4.289 1.00 0.00 H new ATOM 0 HB VAL A 46 1.790 10.250 -4.318 1.00 0.00 H new ATOM 0 HG11 VAL A 46 3.879 9.005 -4.619 1.00 0.00 H new ATOM 0 HG12 VAL A 46 3.200 8.782 -2.989 1.00 0.00 H new ATOM 0 HG13 VAL A 46 3.036 7.494 -4.206 1.00 0.00 H new ATOM 0 HG21 VAL A 46 2.392 9.359 -6.544 1.00 0.00 H new ATOM 0 HG22 VAL A 46 1.470 7.878 -6.191 1.00 0.00 H new ATOM 0 HG23 VAL A 46 0.628 9.440 -6.322 1.00 0.00 H new ATOM 763 N LEU A 47 0.801 6.845 -2.111 1.00 0.00 N ATOM 764 CA LEU A 47 1.187 6.237 -0.849 1.00 0.00 C ATOM 765 C LEU A 47 2.677 6.445 -0.615 1.00 0.00 C ATOM 766 O LEU A 47 3.085 7.073 0.361 1.00 0.00 O ATOM 767 CB LEU A 47 0.850 4.747 -0.885 1.00 0.00 C ATOM 768 CG LEU A 47 -0.553 4.428 -1.410 1.00 0.00 C ATOM 769 CD1 LEU A 47 -0.702 2.948 -1.704 1.00 0.00 C ATOM 770 CD2 LEU A 47 -1.610 4.877 -0.413 1.00 0.00 C ATOM 0 H LEU A 47 0.374 6.198 -2.774 1.00 0.00 H new ATOM 0 HA LEU A 47 0.640 6.703 -0.029 1.00 0.00 H new ATOM 0 HB2 LEU A 47 1.583 4.236 -1.509 1.00 0.00 H new ATOM 0 HB3 LEU A 47 0.949 4.340 0.121 1.00 0.00 H new ATOM 0 HG LEU A 47 -0.695 4.975 -2.342 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -1.708 2.750 -2.075 1.00 0.00 H new ATOM 0 HD12 LEU A 47 0.028 2.651 -2.457 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -0.533 2.377 -0.791 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -2.601 4.642 -0.803 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -1.460 4.359 0.534 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -1.528 5.952 -0.255 1.00 0.00 H new ATOM 782 N SER A 48 3.477 5.907 -1.523 1.00 0.00 N ATOM 783 CA SER A 48 4.927 6.042 -1.463 1.00 0.00 C ATOM 784 C SER A 48 5.343 7.507 -1.314 1.00 0.00 C ATOM 785 O SER A 48 4.503 8.406 -1.350 1.00 0.00 O ATOM 786 CB SER A 48 5.544 5.467 -2.733 1.00 0.00 C ATOM 787 OG SER A 48 5.182 6.231 -3.870 1.00 0.00 O ATOM 0 H SER A 48 3.142 5.366 -2.320 1.00 0.00 H new ATOM 0 HA SER A 48 5.284 5.495 -0.591 1.00 0.00 H new ATOM 0 HB2 SER A 48 6.629 5.446 -2.636 1.00 0.00 H new ATOM 0 HB3 SER A 48 5.216 4.436 -2.865 1.00 0.00 H new ATOM 0 HG SER A 48 5.592 5.841 -4.670 1.00 0.00 H new ATOM 793 N ASP A 49 6.645 7.743 -1.157 1.00 0.00 N ATOM 794 CA ASP A 49 7.162 9.100 -1.008 1.00 0.00 C ATOM 795 C ASP A 49 8.636 9.180 -1.397 1.00 0.00 C ATOM 796 O ASP A 49 8.975 9.260 -2.578 1.00 0.00 O ATOM 797 CB ASP A 49 6.982 9.596 0.429 1.00 0.00 C ATOM 798 CG ASP A 49 5.544 9.948 0.751 1.00 0.00 C ATOM 799 OD1 ASP A 49 5.138 11.097 0.477 1.00 0.00 O ATOM 800 OD2 ASP A 49 4.821 9.076 1.278 1.00 0.00 O ATOM 0 H ASP A 49 7.358 7.014 -1.130 1.00 0.00 H new ATOM 0 HA ASP A 49 6.591 9.740 -1.681 1.00 0.00 H new ATOM 0 HB2 ASP A 49 7.327 8.827 1.120 1.00 0.00 H new ATOM 0 HB3 ASP A 49 7.610 10.472 0.588 1.00 0.00 H new ATOM 805 N GLU A 50 9.507 9.158 -0.393 1.00 0.00 N ATOM 806 CA GLU A 50 10.942 9.239 -0.615 1.00 0.00 C ATOM 807 C GLU A 50 11.661 8.091 0.084 1.00 0.00 C ATOM 808 O GLU A 50 12.689 7.605 -0.389 1.00 0.00 O ATOM 809 CB GLU A 50 11.461 10.578 -0.097 1.00 0.00 C ATOM 810 CG GLU A 50 11.361 10.725 1.413 1.00 0.00 C ATOM 811 CD GLU A 50 11.899 12.052 1.907 1.00 0.00 C ATOM 812 OE1 GLU A 50 13.111 12.129 2.203 1.00 0.00 O ATOM 813 OE2 GLU A 50 11.110 13.015 2.000 1.00 0.00 O ATOM 0 H GLU A 50 9.239 9.084 0.588 1.00 0.00 H new ATOM 0 HA GLU A 50 11.139 9.162 -1.684 1.00 0.00 H new ATOM 0 HB2 GLU A 50 12.502 10.696 -0.397 1.00 0.00 H new ATOM 0 HB3 GLU A 50 10.900 11.384 -0.570 1.00 0.00 H new ATOM 0 HG2 GLU A 50 10.319 10.625 1.716 1.00 0.00 H new ATOM 0 HG3 GLU A 50 11.911 9.914 1.890 1.00 0.00 H new ATOM 820 N ILE A 51 11.111 7.669 1.215 1.00 0.00 N ATOM 821 CA ILE A 51 11.687 6.580 1.992 1.00 0.00 C ATOM 822 C ILE A 51 11.448 5.242 1.313 1.00 0.00 C ATOM 823 O ILE A 51 12.368 4.637 0.765 1.00 0.00 O ATOM 824 CB ILE A 51 11.078 6.531 3.402 1.00 0.00 C ATOM 825 CG1 ILE A 51 11.110 7.920 4.037 1.00 0.00 C ATOM 826 CG2 ILE A 51 11.815 5.519 4.267 1.00 0.00 C ATOM 827 CD1 ILE A 51 12.507 8.424 4.345 1.00 0.00 C ATOM 0 H ILE A 51 10.262 8.067 1.616 1.00 0.00 H new ATOM 0 HA ILE A 51 12.759 6.766 2.063 1.00 0.00 H new ATOM 0 HB ILE A 51 10.038 6.213 3.325 1.00 0.00 H new ATOM 0 HG12 ILE A 51 10.619 8.626 3.367 1.00 0.00 H new ATOM 0 HG13 ILE A 51 10.530 7.900 4.960 1.00 0.00 H new ATOM 0 HG21 ILE A 51 11.370 5.498 5.262 1.00 0.00 H new ATOM 0 HG22 ILE A 51 11.739 4.530 3.815 1.00 0.00 H new ATOM 0 HG23 ILE A 51 12.864 5.803 4.345 1.00 0.00 H new ATOM 0 HD11 ILE A 51 12.445 9.416 4.794 1.00 0.00 H new ATOM 0 HD12 ILE A 51 12.995 7.741 5.040 1.00 0.00 H new ATOM 0 HD13 ILE A 51 13.086 8.478 3.423 1.00 0.00 H new ATOM 839 N LEU A 52 10.205 4.783 1.366 1.00 0.00 N ATOM 840 CA LEU A 52 9.833 3.515 0.748 1.00 0.00 C ATOM 841 C LEU A 52 9.029 3.738 -0.528 1.00 0.00 C ATOM 842 O LEU A 52 7.947 4.320 -0.487 1.00 0.00 O ATOM 843 CB LEU A 52 8.999 2.666 1.716 1.00 0.00 C ATOM 844 CG LEU A 52 9.678 2.294 3.035 1.00 0.00 C ATOM 845 CD1 LEU A 52 8.696 1.581 3.955 1.00 0.00 C ATOM 846 CD2 LEU A 52 10.902 1.427 2.786 1.00 0.00 C ATOM 0 H LEU A 52 9.437 5.268 1.830 1.00 0.00 H new ATOM 0 HA LEU A 52 10.757 2.992 0.502 1.00 0.00 H new ATOM 0 HB2 LEU A 52 8.080 3.206 1.943 1.00 0.00 H new ATOM 0 HB3 LEU A 52 8.711 1.747 1.206 1.00 0.00 H new ATOM 0 HG LEU A 52 10.006 3.212 3.522 1.00 0.00 H new ATOM 0 HD11 LEU A 52 9.194 1.323 4.889 1.00 0.00 H new ATOM 0 HD12 LEU A 52 7.851 2.237 4.164 1.00 0.00 H new ATOM 0 HD13 LEU A 52 8.339 0.672 3.471 1.00 0.00 H new ATOM 0 HD21 LEU A 52 11.369 1.175 3.738 1.00 0.00 H new ATOM 0 HD22 LEU A 52 10.602 0.512 2.275 1.00 0.00 H new ATOM 0 HD23 LEU A 52 11.614 1.972 2.166 1.00 0.00 H new ATOM 858 N GLU A 53 9.572 3.304 -1.662 1.00 0.00 N ATOM 859 CA GLU A 53 8.867 3.419 -2.934 1.00 0.00 C ATOM 860 C GLU A 53 7.682 2.464 -2.946 1.00 0.00 C ATOM 861 O GLU A 53 7.709 1.432 -3.616 1.00 0.00 O ATOM 862 CB GLU A 53 9.805 3.098 -4.095 1.00 0.00 C ATOM 863 CG GLU A 53 10.276 4.321 -4.852 1.00 0.00 C ATOM 864 CD GLU A 53 9.473 4.574 -6.113 1.00 0.00 C ATOM 865 OE1 GLU A 53 8.452 5.289 -6.033 1.00 0.00 O ATOM 866 OE2 GLU A 53 9.865 4.058 -7.181 1.00 0.00 O ATOM 0 H GLU A 53 10.494 2.872 -1.726 1.00 0.00 H new ATOM 0 HA GLU A 53 8.511 4.443 -3.050 1.00 0.00 H new ATOM 0 HB2 GLU A 53 10.673 2.562 -3.712 1.00 0.00 H new ATOM 0 HB3 GLU A 53 9.296 2.427 -4.787 1.00 0.00 H new ATOM 0 HG2 GLU A 53 10.209 5.194 -4.202 1.00 0.00 H new ATOM 0 HG3 GLU A 53 11.327 4.199 -5.114 1.00 0.00 H new ATOM 873 N VAL A 54 6.645 2.810 -2.194 1.00 0.00 N ATOM 874 CA VAL A 54 5.467 1.967 -2.095 1.00 0.00 C ATOM 875 C VAL A 54 4.550 2.107 -3.296 1.00 0.00 C ATOM 876 O VAL A 54 3.654 2.952 -3.316 1.00 0.00 O ATOM 877 CB VAL A 54 4.645 2.262 -0.830 1.00 0.00 C ATOM 878 CG1 VAL A 54 3.932 1.000 -0.386 1.00 0.00 C ATOM 879 CG2 VAL A 54 5.521 2.822 0.278 1.00 0.00 C ATOM 0 H VAL A 54 6.598 3.668 -1.645 1.00 0.00 H new ATOM 0 HA VAL A 54 5.853 0.949 -2.052 1.00 0.00 H new ATOM 0 HB VAL A 54 3.900 3.024 -1.061 1.00 0.00 H new ATOM 0 HG11 VAL A 54 3.349 1.208 0.511 1.00 0.00 H new ATOM 0 HG12 VAL A 54 3.267 0.659 -1.180 1.00 0.00 H new ATOM 0 HG13 VAL A 54 4.666 0.224 -0.169 1.00 0.00 H new ATOM 0 HG21 VAL A 54 4.911 3.020 1.159 1.00 0.00 H new ATOM 0 HG22 VAL A 54 6.297 2.099 0.529 1.00 0.00 H new ATOM 0 HG23 VAL A 54 5.985 3.749 -0.058 1.00 0.00 H new ATOM 889 N VAL A 55 4.780 1.277 -4.298 1.00 0.00 N ATOM 890 CA VAL A 55 3.952 1.277 -5.484 1.00 0.00 C ATOM 891 C VAL A 55 2.836 0.263 -5.324 1.00 0.00 C ATOM 892 O VAL A 55 2.990 -0.908 -5.665 1.00 0.00 O ATOM 893 CB VAL A 55 4.752 0.925 -6.740 1.00 0.00 C ATOM 894 CG1 VAL A 55 3.879 1.065 -7.977 1.00 0.00 C ATOM 895 CG2 VAL A 55 5.999 1.792 -6.846 1.00 0.00 C ATOM 0 H VAL A 55 5.537 0.593 -4.311 1.00 0.00 H new ATOM 0 HA VAL A 55 3.550 2.283 -5.601 1.00 0.00 H new ATOM 0 HB VAL A 55 5.076 -0.113 -6.667 1.00 0.00 H new ATOM 0 HG11 VAL A 55 4.461 0.812 -8.863 1.00 0.00 H new ATOM 0 HG12 VAL A 55 3.026 0.391 -7.898 1.00 0.00 H new ATOM 0 HG13 VAL A 55 3.524 2.092 -8.057 1.00 0.00 H new ATOM 0 HG21 VAL A 55 6.553 1.525 -7.746 1.00 0.00 H new ATOM 0 HG22 VAL A 55 5.709 2.842 -6.896 1.00 0.00 H new ATOM 0 HG23 VAL A 55 6.629 1.631 -5.971 1.00 0.00 H new ATOM 905 N CYS A 56 1.715 0.714 -4.795 1.00 0.00 N ATOM 906 CA CYS A 56 0.586 -0.170 -4.574 1.00 0.00 C ATOM 907 C CYS A 56 -0.600 0.216 -5.431 1.00 0.00 C ATOM 908 O CYS A 56 -0.836 1.393 -5.703 1.00 0.00 O ATOM 909 CB CYS A 56 0.182 -0.162 -3.105 1.00 0.00 C ATOM 910 SG CYS A 56 -1.417 -0.936 -2.773 1.00 0.00 S ATOM 0 H CYS A 56 1.562 1.682 -4.512 1.00 0.00 H new ATOM 0 HA CYS A 56 0.899 -1.175 -4.858 1.00 0.00 H new ATOM 0 HB2 CYS A 56 0.949 -0.676 -2.526 1.00 0.00 H new ATOM 0 HB3 CYS A 56 0.154 0.869 -2.753 1.00 0.00 H new ATOM 0 HG CYS A 56 -1.552 -1.991 -3.521 1.00 0.00 H new ATOM 916 N LYS A 57 -1.341 -0.793 -5.853 1.00 0.00 N ATOM 917 CA LYS A 57 -2.517 -0.585 -6.669 1.00 0.00 C ATOM 918 C LYS A 57 -3.717 -1.273 -6.042 1.00 0.00 C ATOM 919 O LYS A 57 -3.684 -2.473 -5.743 1.00 0.00 O ATOM 920 CB LYS A 57 -2.287 -1.108 -8.083 1.00 0.00 C ATOM 921 CG LYS A 57 -1.183 -0.371 -8.827 1.00 0.00 C ATOM 922 CD LYS A 57 -0.722 -1.137 -10.056 1.00 0.00 C ATOM 923 CE LYS A 57 0.146 -2.328 -9.676 1.00 0.00 C ATOM 924 NZ LYS A 57 1.354 -1.913 -8.912 1.00 0.00 N ATOM 0 H LYS A 57 -1.144 -1.771 -5.640 1.00 0.00 H new ATOM 0 HA LYS A 57 -2.715 0.485 -6.726 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -2.037 -2.168 -8.034 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -3.215 -1.025 -8.649 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -1.541 0.614 -9.126 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -0.337 -0.213 -8.158 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -1.590 -1.482 -10.618 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -0.161 -0.471 -10.712 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -0.439 -3.027 -9.079 1.00 0.00 H new ATOM 0 HE3 LYS A 57 0.451 -2.857 -10.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 2.072 -2.664 -8.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 1.739 -1.037 -9.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 1.096 -1.747 -7.918 1.00 0.00 H new ATOM 938 N TYR A 58 -4.762 -0.495 -5.827 1.00 0.00 N ATOM 939 CA TYR A 58 -5.989 -1.004 -5.244 1.00 0.00 C ATOM 940 C TYR A 58 -6.865 -1.586 -6.350 1.00 0.00 C ATOM 941 O TYR A 58 -7.490 -0.851 -7.113 1.00 0.00 O ATOM 942 CB TYR A 58 -6.723 0.117 -4.491 1.00 0.00 C ATOM 943 CG TYR A 58 -7.880 -0.354 -3.635 1.00 0.00 C ATOM 944 CD1 TYR A 58 -8.822 -1.250 -4.133 1.00 0.00 C ATOM 945 CD2 TYR A 58 -8.033 0.104 -2.327 1.00 0.00 C ATOM 946 CE1 TYR A 58 -9.881 -1.678 -3.365 1.00 0.00 C ATOM 947 CE2 TYR A 58 -9.097 -0.323 -1.554 1.00 0.00 C ATOM 948 CZ TYR A 58 -10.017 -1.210 -2.078 1.00 0.00 C ATOM 949 OH TYR A 58 -11.071 -1.634 -1.305 1.00 0.00 O ATOM 0 H TYR A 58 -4.784 0.500 -6.050 1.00 0.00 H new ATOM 0 HA TYR A 58 -5.757 -1.791 -4.527 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -6.008 0.640 -3.856 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -7.095 0.841 -5.216 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -8.720 -1.617 -5.144 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -7.315 0.797 -1.915 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -10.600 -2.376 -3.769 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -9.209 0.037 -0.542 1.00 0.00 H new ATOM 0 HH TYR A 58 -11.021 -1.211 -0.423 1.00 0.00 H new ATOM 959 N THR A 59 -6.898 -2.911 -6.429 1.00 0.00 N ATOM 960 CA THR A 59 -7.678 -3.600 -7.451 1.00 0.00 C ATOM 961 C THR A 59 -8.939 -4.230 -6.872 1.00 0.00 C ATOM 962 O THR A 59 -8.875 -4.947 -5.879 1.00 0.00 O ATOM 963 CB THR A 59 -6.848 -4.710 -8.118 1.00 0.00 C ATOM 964 OG1 THR A 59 -5.596 -4.183 -8.575 1.00 0.00 O ATOM 965 CG2 THR A 59 -7.601 -5.324 -9.289 1.00 0.00 C ATOM 0 H THR A 59 -6.393 -3.531 -5.796 1.00 0.00 H new ATOM 0 HA THR A 59 -7.959 -2.846 -8.187 1.00 0.00 H new ATOM 0 HB THR A 59 -6.666 -5.487 -7.376 1.00 0.00 H new ATOM 0 HG1 THR A 59 -5.075 -4.898 -8.996 1.00 0.00 H new ATOM 0 HG21 THR A 59 -6.992 -6.106 -9.743 1.00 0.00 H new ATOM 0 HG22 THR A 59 -8.538 -5.753 -8.934 1.00 0.00 H new ATOM 0 HG23 THR A 59 -7.813 -4.553 -10.030 1.00 0.00 H new ATOM 973 N PRO A 60 -10.108 -3.956 -7.477 1.00 0.00 N ATOM 974 CA PRO A 60 -11.377 -4.511 -7.053 1.00 0.00 C ATOM 975 C PRO A 60 -11.782 -5.712 -7.905 1.00 0.00 C ATOM 976 O PRO A 60 -10.928 -6.412 -8.448 1.00 0.00 O ATOM 977 CB PRO A 60 -12.333 -3.341 -7.287 1.00 0.00 C ATOM 978 CG PRO A 60 -11.656 -2.440 -8.284 1.00 0.00 C ATOM 979 CD PRO A 60 -10.315 -3.045 -8.601 1.00 0.00 C ATOM 0 HA PRO A 60 -11.362 -4.881 -6.028 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -13.292 -3.692 -7.668 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -12.534 -2.810 -6.356 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -12.258 -2.347 -9.188 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -11.537 -1.436 -7.875 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -10.322 -3.572 -9.555 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -9.532 -2.289 -8.661 1.00 0.00 H new ATOM 987 N THR A 61 -13.087 -5.946 -8.018 1.00 0.00 N ATOM 988 CA THR A 61 -13.596 -7.054 -8.818 1.00 0.00 C ATOM 989 C THR A 61 -13.586 -6.694 -10.302 1.00 0.00 C ATOM 990 O THR A 61 -13.872 -5.554 -10.669 1.00 0.00 O ATOM 991 CB THR A 61 -15.033 -7.437 -8.409 1.00 0.00 C ATOM 992 OG1 THR A 61 -15.328 -6.918 -7.108 1.00 0.00 O ATOM 993 CG2 THR A 61 -15.214 -8.947 -8.403 1.00 0.00 C ATOM 0 H THR A 61 -13.809 -5.384 -7.567 1.00 0.00 H new ATOM 0 HA THR A 61 -12.940 -7.905 -8.638 1.00 0.00 H new ATOM 0 HB THR A 61 -15.717 -7.006 -9.140 1.00 0.00 H new ATOM 0 HG1 THR A 61 -14.846 -7.438 -6.431 1.00 0.00 H new ATOM 0 HG21 THR A 61 -16.236 -9.190 -8.111 1.00 0.00 H new ATOM 0 HG22 THR A 61 -15.018 -9.341 -9.400 1.00 0.00 H new ATOM 0 HG23 THR A 61 -14.518 -9.394 -7.693 1.00 0.00 H new ATOM 1001 N PRO A 62 -13.256 -7.660 -11.179 1.00 0.00 N ATOM 1002 CA PRO A 62 -13.212 -7.428 -12.627 1.00 0.00 C ATOM 1003 C PRO A 62 -14.570 -7.015 -13.185 1.00 0.00 C ATOM 1004 O PRO A 62 -15.421 -7.859 -13.465 1.00 0.00 O ATOM 1005 CB PRO A 62 -12.781 -8.782 -13.202 1.00 0.00 C ATOM 1006 CG PRO A 62 -12.166 -9.511 -12.056 1.00 0.00 C ATOM 1007 CD PRO A 62 -12.903 -9.047 -10.837 1.00 0.00 C ATOM 0 HA PRO A 62 -12.536 -6.613 -12.887 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -13.633 -9.329 -13.605 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -12.069 -8.656 -14.017 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -12.259 -10.590 -12.183 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -11.101 -9.290 -11.978 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -13.788 -9.654 -10.644 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -12.280 -9.098 -9.944 1.00 0.00 H new ATOM 1015 N SER A 63 -14.766 -5.708 -13.336 1.00 0.00 N ATOM 1016 CA SER A 63 -16.018 -5.176 -13.857 1.00 0.00 C ATOM 1017 C SER A 63 -15.827 -4.607 -15.260 1.00 0.00 C ATOM 1018 O SER A 63 -14.797 -4.832 -15.895 1.00 0.00 O ATOM 1019 CB SER A 63 -16.555 -4.093 -12.922 1.00 0.00 C ATOM 1020 OG SER A 63 -16.751 -4.600 -11.613 1.00 0.00 O ATOM 0 H SER A 63 -14.071 -4.998 -13.104 1.00 0.00 H new ATOM 0 HA SER A 63 -16.739 -5.992 -13.914 1.00 0.00 H new ATOM 0 HB2 SER A 63 -15.857 -3.257 -12.891 1.00 0.00 H new ATOM 0 HB3 SER A 63 -17.497 -3.707 -13.311 1.00 0.00 H new ATOM 0 HG SER A 63 -15.889 -4.874 -11.236 1.00 0.00 H new ATOM 1026 N SER A 64 -16.824 -3.867 -15.735 1.00 0.00 N ATOM 1027 CA SER A 64 -16.765 -3.266 -17.064 1.00 0.00 C ATOM 1028 C SER A 64 -16.786 -1.743 -16.981 1.00 0.00 C ATOM 1029 O SER A 64 -15.987 -1.067 -17.630 1.00 0.00 O ATOM 1030 CB SER A 64 -17.935 -3.756 -17.919 1.00 0.00 C ATOM 1031 OG SER A 64 -17.897 -3.182 -19.215 1.00 0.00 O ATOM 0 H SER A 64 -17.682 -3.669 -15.220 1.00 0.00 H new ATOM 0 HA SER A 64 -15.827 -3.571 -17.529 1.00 0.00 H new ATOM 0 HB2 SER A 64 -17.901 -4.843 -17.998 1.00 0.00 H new ATOM 0 HB3 SER A 64 -18.877 -3.501 -17.433 1.00 0.00 H new ATOM 0 HG SER A 64 -18.654 -3.513 -19.742 1.00 0.00 H new ATOM 1037 N THR A 65 -17.703 -1.207 -16.182 1.00 0.00 N ATOM 1038 CA THR A 65 -17.825 0.239 -16.022 1.00 0.00 C ATOM 1039 C THR A 65 -17.148 0.734 -14.740 1.00 0.00 C ATOM 1040 O THR A 65 -16.366 1.683 -14.778 1.00 0.00 O ATOM 1041 CB THR A 65 -19.302 0.689 -16.029 1.00 0.00 C ATOM 1042 OG1 THR A 65 -19.943 0.247 -17.231 1.00 0.00 O ATOM 1043 CG2 THR A 65 -19.409 2.204 -15.923 1.00 0.00 C ATOM 0 H THR A 65 -18.372 -1.750 -15.636 1.00 0.00 H new ATOM 0 HA THR A 65 -17.315 0.684 -16.877 1.00 0.00 H new ATOM 0 HB THR A 65 -19.797 0.243 -15.166 1.00 0.00 H new ATOM 0 HG1 THR A 65 -20.880 0.535 -17.227 1.00 0.00 H new ATOM 0 HG21 THR A 65 -20.459 2.496 -15.930 1.00 0.00 H new ATOM 0 HG22 THR A 65 -18.946 2.537 -14.994 1.00 0.00 H new ATOM 0 HG23 THR A 65 -18.899 2.665 -16.769 1.00 0.00 H new ATOM 1051 N PRO A 66 -17.436 0.099 -13.588 1.00 0.00 N ATOM 1052 CA PRO A 66 -16.853 0.488 -12.300 1.00 0.00 C ATOM 1053 C PRO A 66 -15.366 0.159 -12.216 1.00 0.00 C ATOM 1054 O PRO A 66 -14.891 -0.782 -12.852 1.00 0.00 O ATOM 1055 CB PRO A 66 -17.643 -0.338 -11.272 1.00 0.00 C ATOM 1056 CG PRO A 66 -18.809 -0.894 -12.020 1.00 0.00 C ATOM 1057 CD PRO A 66 -18.350 -1.037 -13.439 1.00 0.00 C ATOM 0 HA PRO A 66 -16.920 1.564 -12.137 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -17.029 -1.135 -10.853 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -17.971 0.283 -10.438 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -19.115 -1.856 -11.609 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -19.670 -0.230 -11.952 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -17.847 -1.989 -13.610 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -19.181 -0.985 -14.142 1.00 0.00 H new ATOM 1065 N MET A 67 -14.636 0.941 -11.427 1.00 0.00 N ATOM 1066 CA MET A 67 -13.205 0.737 -11.257 1.00 0.00 C ATOM 1067 C MET A 67 -12.744 1.350 -9.938 1.00 0.00 C ATOM 1068 O MET A 67 -11.559 1.607 -9.731 1.00 0.00 O ATOM 1069 CB MET A 67 -12.445 1.361 -12.430 1.00 0.00 C ATOM 1070 CG MET A 67 -10.976 0.977 -12.481 1.00 0.00 C ATOM 1071 SD MET A 67 -10.098 1.754 -13.852 1.00 0.00 S ATOM 1072 CE MET A 67 -10.293 3.487 -13.443 1.00 0.00 C ATOM 0 H MET A 67 -15.015 1.724 -10.894 1.00 0.00 H new ATOM 0 HA MET A 67 -12.997 -0.333 -11.236 1.00 0.00 H new ATOM 0 HB2 MET A 67 -12.923 1.059 -13.362 1.00 0.00 H new ATOM 0 HB3 MET A 67 -12.526 2.446 -12.367 1.00 0.00 H new ATOM 0 HG2 MET A 67 -10.498 1.260 -11.543 1.00 0.00 H new ATOM 0 HG3 MET A 67 -10.891 -0.106 -12.568 1.00 0.00 H new ATOM 0 HE1 MET A 67 -9.535 4.071 -13.965 1.00 0.00 H new ATOM 0 HE2 MET A 67 -11.284 3.823 -13.747 1.00 0.00 H new ATOM 0 HE3 MET A 67 -10.179 3.622 -12.367 1.00 0.00 H new ATOM 1082 N VAL A 68 -13.701 1.570 -9.045 1.00 0.00 N ATOM 1083 CA VAL A 68 -13.420 2.160 -7.744 1.00 0.00 C ATOM 1084 C VAL A 68 -14.157 1.416 -6.634 1.00 0.00 C ATOM 1085 O VAL A 68 -15.367 1.571 -6.469 1.00 0.00 O ATOM 1086 CB VAL A 68 -13.826 3.645 -7.723 1.00 0.00 C ATOM 1087 CG1 VAL A 68 -13.735 4.215 -6.313 1.00 0.00 C ATOM 1088 CG2 VAL A 68 -12.961 4.448 -8.683 1.00 0.00 C ATOM 0 H VAL A 68 -14.684 1.347 -9.200 1.00 0.00 H new ATOM 0 HA VAL A 68 -12.347 2.078 -7.570 1.00 0.00 H new ATOM 0 HB VAL A 68 -14.863 3.718 -8.050 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -14.027 5.265 -6.326 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -14.402 3.661 -5.653 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -12.711 4.127 -5.951 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -13.262 5.495 -8.655 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -11.915 4.363 -8.388 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -13.085 4.062 -9.695 1.00 0.00 H new ATOM 1098 N GLY A 69 -13.419 0.608 -5.878 1.00 0.00 N ATOM 1099 CA GLY A 69 -14.019 -0.150 -4.795 1.00 0.00 C ATOM 1100 C GLY A 69 -15.159 -1.030 -5.268 1.00 0.00 C ATOM 1101 O GLY A 69 -16.324 -0.643 -5.190 1.00 0.00 O ATOM 0 H GLY A 69 -12.416 0.465 -5.996 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -13.257 -0.770 -4.323 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -14.386 0.538 -4.034 1.00 0.00 H new ATOM 1105 N VAL A 70 -14.822 -2.219 -5.760 1.00 0.00 N ATOM 1106 CA VAL A 70 -15.828 -3.152 -6.254 1.00 0.00 C ATOM 1107 C VAL A 70 -15.707 -4.508 -5.572 1.00 0.00 C ATOM 1108 O VAL A 70 -16.669 -5.274 -5.511 1.00 0.00 O ATOM 1109 CB VAL A 70 -15.721 -3.346 -7.780 1.00 0.00 C ATOM 1110 CG1 VAL A 70 -17.060 -3.782 -8.358 1.00 0.00 C ATOM 1111 CG2 VAL A 70 -15.230 -2.073 -8.456 1.00 0.00 C ATOM 0 H VAL A 70 -13.862 -2.558 -5.827 1.00 0.00 H new ATOM 0 HA VAL A 70 -16.799 -2.716 -6.019 1.00 0.00 H new ATOM 0 HB VAL A 70 -14.991 -4.132 -7.973 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -16.965 -3.914 -9.436 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -17.363 -4.724 -7.902 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -17.811 -3.020 -8.150 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -15.163 -2.235 -9.532 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -15.929 -1.261 -8.254 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -14.246 -1.810 -8.067 1.00 0.00 H new ATOM 1121 N GLY A 71 -14.521 -4.791 -5.057 1.00 0.00 N ATOM 1122 CA GLY A 71 -14.279 -6.054 -4.381 1.00 0.00 C ATOM 1123 C GLY A 71 -13.096 -6.813 -4.954 1.00 0.00 C ATOM 1124 O GLY A 71 -13.262 -7.689 -5.801 1.00 0.00 O ATOM 0 H GLY A 71 -13.715 -4.167 -5.094 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -14.105 -5.866 -3.322 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -15.172 -6.675 -4.452 1.00 0.00 H new ATOM 1128 N GLY A 72 -11.902 -6.477 -4.483 1.00 0.00 N ATOM 1129 CA GLY A 72 -10.699 -7.138 -4.959 1.00 0.00 C ATOM 1130 C GLY A 72 -9.653 -7.280 -3.872 1.00 0.00 C ATOM 1131 O GLY A 72 -9.950 -7.762 -2.778 1.00 0.00 O ATOM 0 H GLY A 72 -11.743 -5.757 -3.778 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -10.957 -8.125 -5.343 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -10.281 -6.572 -5.791 1.00 0.00 H new ATOM 1135 N ILE A 73 -8.426 -6.861 -4.168 1.00 0.00 N ATOM 1136 CA ILE A 73 -7.344 -6.937 -3.201 1.00 0.00 C ATOM 1137 C ILE A 73 -6.541 -5.646 -3.177 1.00 0.00 C ATOM 1138 O ILE A 73 -6.956 -4.628 -3.731 1.00 0.00 O ATOM 1139 CB ILE A 73 -6.376 -8.102 -3.481 1.00 0.00 C ATOM 1140 CG1 ILE A 73 -5.768 -7.992 -4.875 1.00 0.00 C ATOM 1141 CG2 ILE A 73 -7.058 -9.445 -3.293 1.00 0.00 C ATOM 1142 CD1 ILE A 73 -4.375 -8.579 -4.946 1.00 0.00 C ATOM 0 H ILE A 73 -8.160 -6.466 -5.070 1.00 0.00 H new ATOM 0 HA ILE A 73 -7.822 -7.105 -2.236 1.00 0.00 H new ATOM 0 HB ILE A 73 -5.566 -8.035 -2.755 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -6.412 -8.504 -5.590 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -5.733 -6.944 -5.171 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -6.348 -10.246 -3.498 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -7.415 -9.531 -2.267 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -7.902 -9.524 -3.979 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -3.988 -8.475 -5.960 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -3.722 -8.050 -4.252 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -4.411 -9.635 -4.678 1.00 0.00 H new ATOM 1154 N TYR A 74 -5.387 -5.704 -2.527 1.00 0.00 N ATOM 1155 CA TYR A 74 -4.507 -4.553 -2.413 1.00 0.00 C ATOM 1156 C TYR A 74 -3.056 -4.993 -2.588 1.00 0.00 C ATOM 1157 O TYR A 74 -2.431 -5.476 -1.644 1.00 0.00 O ATOM 1158 CB TYR A 74 -4.700 -3.893 -1.044 1.00 0.00 C ATOM 1159 CG TYR A 74 -6.104 -4.047 -0.490 1.00 0.00 C ATOM 1160 CD1 TYR A 74 -6.493 -5.213 0.159 1.00 0.00 C ATOM 1161 CD2 TYR A 74 -7.041 -3.031 -0.616 1.00 0.00 C ATOM 1162 CE1 TYR A 74 -7.770 -5.362 0.662 1.00 0.00 C ATOM 1163 CE2 TYR A 74 -8.321 -3.176 -0.111 1.00 0.00 C ATOM 1164 CZ TYR A 74 -8.679 -4.341 0.526 1.00 0.00 C ATOM 1165 OH TYR A 74 -9.953 -4.485 1.026 1.00 0.00 O ATOM 0 H TYR A 74 -5.038 -6.545 -2.067 1.00 0.00 H new ATOM 0 HA TYR A 74 -4.751 -3.831 -3.192 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -3.990 -4.325 -0.338 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -4.464 -2.832 -1.125 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -5.782 -6.018 0.272 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -6.767 -2.114 -1.116 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -8.053 -6.277 1.160 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -9.038 -2.375 -0.217 1.00 0.00 H new ATOM 0 HH TYR A 74 -9.921 -4.494 2.005 1.00 0.00 H new ATOM 1175 N VAL A 75 -2.520 -4.829 -3.798 1.00 0.00 N ATOM 1176 CA VAL A 75 -1.146 -5.234 -4.074 1.00 0.00 C ATOM 1177 C VAL A 75 -0.181 -4.096 -3.777 1.00 0.00 C ATOM 1178 O VAL A 75 -0.190 -3.060 -4.440 1.00 0.00 O ATOM 1179 CB VAL A 75 -0.962 -5.723 -5.527 1.00 0.00 C ATOM 1180 CG1 VAL A 75 -1.278 -4.623 -6.526 1.00 0.00 C ATOM 1181 CG2 VAL A 75 0.450 -6.250 -5.737 1.00 0.00 C ATOM 0 H VAL A 75 -3.012 -4.423 -4.594 1.00 0.00 H new ATOM 0 HA VAL A 75 -0.923 -6.073 -3.415 1.00 0.00 H new ATOM 0 HB VAL A 75 -1.666 -6.537 -5.697 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -1.138 -5.000 -7.539 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -2.311 -4.301 -6.398 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -0.611 -3.777 -6.359 1.00 0.00 H new ATOM 0 HG21 VAL A 75 0.562 -6.590 -6.766 1.00 0.00 H new ATOM 0 HG22 VAL A 75 1.169 -5.455 -5.538 1.00 0.00 H new ATOM 0 HG23 VAL A 75 0.632 -7.083 -5.058 1.00 0.00 H new ATOM 1191 N VAL A 76 0.644 -4.300 -2.763 1.00 0.00 N ATOM 1192 CA VAL A 76 1.607 -3.289 -2.341 1.00 0.00 C ATOM 1193 C VAL A 76 3.042 -3.647 -2.717 1.00 0.00 C ATOM 1194 O VAL A 76 3.522 -4.728 -2.388 1.00 0.00 O ATOM 1195 CB VAL A 76 1.546 -3.089 -0.816 1.00 0.00 C ATOM 1196 CG1 VAL A 76 2.389 -1.896 -0.403 1.00 0.00 C ATOM 1197 CG2 VAL A 76 0.109 -2.935 -0.348 1.00 0.00 C ATOM 0 H VAL A 76 0.668 -5.159 -2.213 1.00 0.00 H new ATOM 0 HA VAL A 76 1.331 -2.373 -2.863 1.00 0.00 H new ATOM 0 HB VAL A 76 1.957 -3.976 -0.335 1.00 0.00 H new ATOM 0 HG11 VAL A 76 2.335 -1.769 0.678 1.00 0.00 H new ATOM 0 HG12 VAL A 76 3.425 -2.063 -0.697 1.00 0.00 H new ATOM 0 HG13 VAL A 76 2.013 -0.998 -0.893 1.00 0.00 H new ATOM 0 HG21 VAL A 76 0.091 -2.795 0.733 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -0.341 -2.069 -0.834 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -0.456 -3.830 -0.607 1.00 0.00 H new ATOM 1207 N LEU A 77 3.721 -2.727 -3.407 1.00 0.00 N ATOM 1208 CA LEU A 77 5.114 -2.925 -3.789 1.00 0.00 C ATOM 1209 C LEU A 77 5.995 -1.928 -3.059 1.00 0.00 C ATOM 1210 O LEU A 77 6.237 -0.828 -3.548 1.00 0.00 O ATOM 1211 CB LEU A 77 5.300 -2.764 -5.298 1.00 0.00 C ATOM 1212 CG LEU A 77 4.601 -3.823 -6.150 1.00 0.00 C ATOM 1213 CD1 LEU A 77 4.907 -3.608 -7.625 1.00 0.00 C ATOM 1214 CD2 LEU A 77 5.016 -5.220 -5.715 1.00 0.00 C ATOM 0 H LEU A 77 3.324 -1.838 -3.711 1.00 0.00 H new ATOM 0 HA LEU A 77 5.400 -3.940 -3.513 1.00 0.00 H new ATOM 0 HB2 LEU A 77 4.931 -1.781 -5.592 1.00 0.00 H new ATOM 0 HB3 LEU A 77 6.367 -2.785 -5.522 1.00 0.00 H new ATOM 0 HG LEU A 77 3.525 -3.726 -6.005 1.00 0.00 H new ATOM 0 HD11 LEU A 77 4.401 -4.371 -8.217 1.00 0.00 H new ATOM 0 HD12 LEU A 77 4.557 -2.622 -7.929 1.00 0.00 H new ATOM 0 HD13 LEU A 77 5.983 -3.677 -7.787 1.00 0.00 H new ATOM 0 HD21 LEU A 77 4.508 -5.960 -6.333 1.00 0.00 H new ATOM 0 HD22 LEU A 77 6.094 -5.331 -5.829 1.00 0.00 H new ATOM 0 HD23 LEU A 77 4.744 -5.372 -4.670 1.00 0.00 H new ATOM 1226 N VAL A 78 6.482 -2.316 -1.894 1.00 0.00 N ATOM 1227 CA VAL A 78 7.315 -1.419 -1.100 1.00 0.00 C ATOM 1228 C VAL A 78 8.790 -1.598 -1.439 1.00 0.00 C ATOM 1229 O VAL A 78 9.417 -2.583 -1.048 1.00 0.00 O ATOM 1230 CB VAL A 78 7.099 -1.615 0.414 1.00 0.00 C ATOM 1231 CG1 VAL A 78 6.999 -0.263 1.117 1.00 0.00 C ATOM 1232 CG2 VAL A 78 5.853 -2.449 0.678 1.00 0.00 C ATOM 0 H VAL A 78 6.320 -3.233 -1.477 1.00 0.00 H new ATOM 0 HA VAL A 78 7.011 -0.404 -1.354 1.00 0.00 H new ATOM 0 HB VAL A 78 7.958 -2.152 0.816 1.00 0.00 H new ATOM 0 HG11 VAL A 78 6.847 -0.419 2.185 1.00 0.00 H new ATOM 0 HG12 VAL A 78 7.920 0.298 0.960 1.00 0.00 H new ATOM 0 HG13 VAL A 78 6.159 0.298 0.709 1.00 0.00 H new ATOM 0 HG21 VAL A 78 5.720 -2.575 1.753 1.00 0.00 H new ATOM 0 HG22 VAL A 78 4.982 -1.944 0.261 1.00 0.00 H new ATOM 0 HG23 VAL A 78 5.964 -3.427 0.209 1.00 0.00 H new ATOM 1242 N LYS A 79 9.330 -0.632 -2.178 1.00 0.00 N ATOM 1243 CA LYS A 79 10.729 -0.657 -2.589 1.00 0.00 C ATOM 1244 C LYS A 79 11.551 0.354 -1.791 1.00 0.00 C ATOM 1245 O LYS A 79 11.592 1.531 -2.139 1.00 0.00 O ATOM 1246 CB LYS A 79 10.840 -0.344 -4.083 1.00 0.00 C ATOM 1247 CG LYS A 79 10.623 -1.552 -4.979 1.00 0.00 C ATOM 1248 CD LYS A 79 10.759 -1.188 -6.451 1.00 0.00 C ATOM 1249 CE LYS A 79 9.662 -0.234 -6.897 1.00 0.00 C ATOM 1250 NZ LYS A 79 9.786 0.119 -8.339 1.00 0.00 N ATOM 0 H LYS A 79 8.814 0.184 -2.506 1.00 0.00 H new ATOM 0 HA LYS A 79 11.123 -1.655 -2.395 1.00 0.00 H new ATOM 0 HB2 LYS A 79 10.109 0.423 -4.340 1.00 0.00 H new ATOM 0 HB3 LYS A 79 11.826 0.074 -4.285 1.00 0.00 H new ATOM 0 HG2 LYS A 79 11.346 -2.328 -4.727 1.00 0.00 H new ATOM 0 HG3 LYS A 79 9.632 -1.968 -4.796 1.00 0.00 H new ATOM 0 HD2 LYS A 79 11.733 -0.730 -6.624 1.00 0.00 H new ATOM 0 HD3 LYS A 79 10.721 -2.094 -7.055 1.00 0.00 H new ATOM 0 HE2 LYS A 79 8.689 -0.690 -6.717 1.00 0.00 H new ATOM 0 HE3 LYS A 79 9.704 0.674 -6.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 9.020 0.771 -8.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 10.704 0.578 -8.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 9.720 -0.745 -8.915 1.00 0.00 H new ATOM 1264 N PRO A 80 12.222 -0.088 -0.712 1.00 0.00 N ATOM 1265 CA PRO A 80 13.033 0.800 0.122 1.00 0.00 C ATOM 1266 C PRO A 80 14.010 1.636 -0.695 1.00 0.00 C ATOM 1267 O PRO A 80 15.044 1.145 -1.147 1.00 0.00 O ATOM 1268 CB PRO A 80 13.791 -0.148 1.062 1.00 0.00 C ATOM 1269 CG PRO A 80 13.544 -1.526 0.541 1.00 0.00 C ATOM 1270 CD PRO A 80 12.251 -1.470 -0.220 1.00 0.00 C ATOM 0 HA PRO A 80 12.411 1.523 0.650 1.00 0.00 H new ATOM 0 HB2 PRO A 80 14.857 0.081 1.071 1.00 0.00 H new ATOM 0 HB3 PRO A 80 13.435 -0.049 2.087 1.00 0.00 H new ATOM 0 HG2 PRO A 80 14.361 -1.848 -0.105 1.00 0.00 H new ATOM 0 HG3 PRO A 80 13.482 -2.244 1.359 1.00 0.00 H new ATOM 0 HD2 PRO A 80 12.231 -2.191 -1.038 1.00 0.00 H new ATOM 0 HD3 PRO A 80 11.396 -1.690 0.419 1.00 0.00 H new ATOM 1278 N ARG A 81 13.664 2.904 -0.881 1.00 0.00 N ATOM 1279 CA ARG A 81 14.499 3.826 -1.644 1.00 0.00 C ATOM 1280 C ARG A 81 15.805 4.110 -0.913 1.00 0.00 C ATOM 1281 O ARG A 81 16.855 4.274 -1.536 1.00 0.00 O ATOM 1282 CB ARG A 81 13.752 5.137 -1.887 1.00 0.00 C ATOM 1283 CG ARG A 81 13.276 5.313 -3.318 1.00 0.00 C ATOM 1284 CD ARG A 81 12.351 6.508 -3.447 1.00 0.00 C ATOM 1285 NE ARG A 81 12.046 6.817 -4.842 1.00 0.00 N ATOM 1286 CZ ARG A 81 11.517 7.969 -5.245 1.00 0.00 C ATOM 1287 NH1 ARG A 81 11.238 8.920 -4.363 1.00 0.00 N ATOM 1288 NH2 ARG A 81 11.270 8.172 -6.531 1.00 0.00 N ATOM 0 H ARG A 81 12.808 3.319 -0.513 1.00 0.00 H new ATOM 0 HA ARG A 81 14.730 3.358 -2.601 1.00 0.00 H new ATOM 0 HB2 ARG A 81 12.892 5.184 -1.219 1.00 0.00 H new ATOM 0 HB3 ARG A 81 14.404 5.970 -1.625 1.00 0.00 H new ATOM 0 HG2 ARG A 81 14.135 5.443 -3.976 1.00 0.00 H new ATOM 0 HG3 ARG A 81 12.757 4.412 -3.645 1.00 0.00 H new ATOM 0 HD2 ARG A 81 11.424 6.309 -2.909 1.00 0.00 H new ATOM 0 HD3 ARG A 81 12.812 7.376 -2.976 1.00 0.00 H new ATOM 0 HE ARG A 81 12.250 6.109 -5.547 1.00 0.00 H new ATOM 0 HH11 ARG A 81 11.429 8.769 -3.373 1.00 0.00 H new ATOM 0 HH12 ARG A 81 10.832 9.802 -4.675 1.00 0.00 H new ATOM 0 HH21 ARG A 81 11.486 7.445 -7.213 1.00 0.00 H new ATOM 0 HH22 ARG A 81 10.864 9.056 -6.839 1.00 0.00 H new ATOM 1302 N LYS A 82 15.732 4.165 0.412 1.00 0.00 N ATOM 1303 CA LYS A 82 16.903 4.439 1.234 1.00 0.00 C ATOM 1304 C LYS A 82 17.214 3.257 2.146 1.00 0.00 C ATOM 1305 O LYS A 82 16.506 2.250 2.137 1.00 0.00 O ATOM 1306 CB LYS A 82 16.672 5.699 2.070 1.00 0.00 C ATOM 1307 CG LYS A 82 16.118 6.865 1.267 1.00 0.00 C ATOM 1308 CD LYS A 82 15.906 8.092 2.138 1.00 0.00 C ATOM 1309 CE LYS A 82 15.270 9.228 1.353 1.00 0.00 C ATOM 1310 NZ LYS A 82 16.119 9.653 0.205 1.00 0.00 N ATOM 0 H LYS A 82 14.871 4.023 0.940 1.00 0.00 H new ATOM 0 HA LYS A 82 17.756 4.597 0.575 1.00 0.00 H new ATOM 0 HB2 LYS A 82 15.982 5.466 2.881 1.00 0.00 H new ATOM 0 HB3 LYS A 82 17.614 5.999 2.529 1.00 0.00 H new ATOM 0 HG2 LYS A 82 16.804 7.108 0.456 1.00 0.00 H new ATOM 0 HG3 LYS A 82 15.172 6.575 0.809 1.00 0.00 H new ATOM 0 HD2 LYS A 82 15.271 7.833 2.985 1.00 0.00 H new ATOM 0 HD3 LYS A 82 16.862 8.420 2.545 1.00 0.00 H new ATOM 0 HE2 LYS A 82 14.293 8.913 0.985 1.00 0.00 H new ATOM 0 HE3 LYS A 82 15.103 10.078 2.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 15.749 10.541 -0.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 17.096 9.799 0.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 16.106 8.916 -0.528 1.00 0.00 H new ATOM 1324 N ARG A 83 18.279 3.385 2.931 1.00 0.00 N ATOM 1325 CA ARG A 83 18.685 2.328 3.851 1.00 0.00 C ATOM 1326 C ARG A 83 18.620 2.812 5.295 1.00 0.00 C ATOM 1327 O ARG A 83 18.870 3.983 5.579 1.00 0.00 O ATOM 1328 CB ARG A 83 20.103 1.862 3.525 1.00 0.00 C ATOM 1329 CG ARG A 83 20.296 1.473 2.069 1.00 0.00 C ATOM 1330 CD ARG A 83 21.767 1.314 1.727 1.00 0.00 C ATOM 1331 NE ARG A 83 22.421 0.317 2.570 1.00 0.00 N ATOM 1332 CZ ARG A 83 23.737 0.140 2.617 1.00 0.00 C ATOM 1333 NH1 ARG A 83 24.539 0.891 1.873 1.00 0.00 N ATOM 1334 NH2 ARG A 83 24.255 -0.787 3.411 1.00 0.00 N ATOM 0 H ARG A 83 18.877 4.211 2.948 1.00 0.00 H new ATOM 0 HA ARG A 83 17.996 1.492 3.734 1.00 0.00 H new ATOM 0 HB2 ARG A 83 20.805 2.658 3.776 1.00 0.00 H new ATOM 0 HB3 ARG A 83 20.350 1.008 4.156 1.00 0.00 H new ATOM 0 HG2 ARG A 83 19.771 0.539 1.868 1.00 0.00 H new ATOM 0 HG3 ARG A 83 19.852 2.233 1.426 1.00 0.00 H new ATOM 0 HD2 ARG A 83 21.867 1.025 0.681 1.00 0.00 H new ATOM 0 HD3 ARG A 83 22.272 2.273 1.842 1.00 0.00 H new ATOM 0 HE ARG A 83 21.834 -0.277 3.156 1.00 0.00 H new ATOM 0 HH11 ARG A 83 24.146 1.607 1.262 1.00 0.00 H new ATOM 0 HH12 ARG A 83 25.549 0.752 1.912 1.00 0.00 H new ATOM 0 HH21 ARG A 83 23.643 -1.365 3.987 1.00 0.00 H new ATOM 0 HH22 ARG A 83 25.265 -0.922 3.446 1.00 0.00 H new ATOM 1348 N GLY A 84 18.284 1.904 6.206 1.00 0.00 N ATOM 1349 CA GLY A 84 18.198 2.261 7.610 1.00 0.00 C ATOM 1350 C GLY A 84 17.085 1.529 8.335 1.00 0.00 C ATOM 1351 O GLY A 84 16.741 0.400 7.985 1.00 0.00 O ATOM 0 H GLY A 84 18.070 0.929 5.997 1.00 0.00 H new ATOM 0 HA2 GLY A 84 19.149 2.040 8.095 1.00 0.00 H new ATOM 0 HA3 GLY A 84 18.038 3.336 7.698 1.00 0.00 H new ATOM 1355 N HIS A 85 16.523 2.177 9.352 1.00 0.00 N ATOM 1356 CA HIS A 85 15.444 1.590 10.138 1.00 0.00 C ATOM 1357 C HIS A 85 14.085 1.966 9.556 1.00 0.00 C ATOM 1358 O HIS A 85 13.086 2.043 10.273 1.00 0.00 O ATOM 1359 CB HIS A 85 15.540 2.062 11.589 1.00 0.00 C ATOM 1360 CG HIS A 85 14.727 1.245 12.545 1.00 0.00 C ATOM 1361 ND1 HIS A 85 13.515 1.665 13.053 1.00 0.00 N ATOM 1362 CD2 HIS A 85 14.958 0.026 13.088 1.00 0.00 C ATOM 1363 CE1 HIS A 85 13.038 0.740 13.868 1.00 0.00 C ATOM 1364 NE2 HIS A 85 13.894 -0.264 13.906 1.00 0.00 N ATOM 0 H HIS A 85 16.799 3.112 9.651 1.00 0.00 H new ATOM 0 HA HIS A 85 15.544 0.505 10.106 1.00 0.00 H new ATOM 0 HB2 HIS A 85 16.584 2.037 11.901 1.00 0.00 H new ATOM 0 HB3 HIS A 85 15.215 3.101 11.646 1.00 0.00 H new ATOM 0 HD2 HIS A 85 15.819 -0.601 12.911 1.00 0.00 H new ATOM 0 HE1 HIS A 85 12.106 0.796 14.411 1.00 0.00 H new ATOM 0 HE2 HIS A 85 13.783 -1.117 14.454 1.00 0.00 H new ATOM 1373 N HIS A 86 14.059 2.198 8.249 1.00 0.00 N ATOM 1374 CA HIS A 86 12.830 2.567 7.550 1.00 0.00 C ATOM 1375 C HIS A 86 11.679 1.647 7.938 1.00 0.00 C ATOM 1376 O HIS A 86 11.896 0.523 8.392 1.00 0.00 O ATOM 1377 CB HIS A 86 13.052 2.521 6.039 1.00 0.00 C ATOM 1378 CG HIS A 86 14.203 3.363 5.590 1.00 0.00 C ATOM 1379 ND1 HIS A 86 14.306 4.709 5.875 1.00 0.00 N ATOM 1380 CD2 HIS A 86 15.313 3.045 4.884 1.00 0.00 C ATOM 1381 CE1 HIS A 86 15.427 5.181 5.363 1.00 0.00 C ATOM 1382 NE2 HIS A 86 16.057 4.192 4.758 1.00 0.00 N ATOM 0 H HIS A 86 14.880 2.137 7.647 1.00 0.00 H new ATOM 0 HA HIS A 86 12.565 3.583 7.843 1.00 0.00 H new ATOM 0 HB2 HIS A 86 13.224 1.489 5.734 1.00 0.00 H new ATOM 0 HB3 HIS A 86 12.146 2.856 5.534 1.00 0.00 H new ATOM 0 HD1 HIS A 86 13.622 5.254 6.400 1.00 0.00 H new ATOM 0 HD2 HIS A 86 15.566 2.071 4.493 1.00 0.00 H new ATOM 0 HE1 HIS A 86 15.770 6.203 5.428 1.00 0.00 H new ATOM 1391 N THR A 87 10.452 2.126 7.755 1.00 0.00 N ATOM 1392 CA THR A 87 9.273 1.344 8.103 1.00 0.00 C ATOM 1393 C THR A 87 8.038 1.804 7.336 1.00 0.00 C ATOM 1394 O THR A 87 7.896 2.983 7.011 1.00 0.00 O ATOM 1395 CB THR A 87 8.983 1.433 9.614 1.00 0.00 C ATOM 1396 OG1 THR A 87 10.041 0.811 10.351 1.00 0.00 O ATOM 1397 CG2 THR A 87 7.658 0.771 9.960 1.00 0.00 C ATOM 0 H THR A 87 10.250 3.048 7.369 1.00 0.00 H new ATOM 0 HA THR A 87 9.491 0.312 7.828 1.00 0.00 H new ATOM 0 HB THR A 87 8.919 2.487 9.885 1.00 0.00 H new ATOM 0 HG1 THR A 87 9.667 0.338 11.124 1.00 0.00 H new ATOM 0 HG21 THR A 87 7.481 0.850 11.033 1.00 0.00 H new ATOM 0 HG22 THR A 87 6.851 1.268 9.422 1.00 0.00 H new ATOM 0 HG23 THR A 87 7.691 -0.280 9.674 1.00 0.00 H new ATOM 1405 N LEU A 88 7.148 0.857 7.052 1.00 0.00 N ATOM 1406 CA LEU A 88 5.910 1.149 6.343 1.00 0.00 C ATOM 1407 C LEU A 88 4.734 1.057 7.303 1.00 0.00 C ATOM 1408 O LEU A 88 4.866 0.516 8.399 1.00 0.00 O ATOM 1409 CB LEU A 88 5.701 0.167 5.195 1.00 0.00 C ATOM 1410 CG LEU A 88 4.663 0.600 4.160 1.00 0.00 C ATOM 1411 CD1 LEU A 88 5.147 1.831 3.414 1.00 0.00 C ATOM 1412 CD2 LEU A 88 4.366 -0.537 3.195 1.00 0.00 C ATOM 0 H LEU A 88 7.264 -0.124 7.305 1.00 0.00 H new ATOM 0 HA LEU A 88 5.977 2.158 5.936 1.00 0.00 H new ATOM 0 HB2 LEU A 88 6.654 0.013 4.690 1.00 0.00 H new ATOM 0 HB3 LEU A 88 5.400 -0.795 5.609 1.00 0.00 H new ATOM 0 HG LEU A 88 3.738 0.854 4.677 1.00 0.00 H new ATOM 0 HD11 LEU A 88 4.399 2.129 2.680 1.00 0.00 H new ATOM 0 HD12 LEU A 88 5.307 2.645 4.121 1.00 0.00 H new ATOM 0 HD13 LEU A 88 6.084 1.603 2.905 1.00 0.00 H new ATOM 0 HD21 LEU A 88 3.625 -0.211 2.465 1.00 0.00 H new ATOM 0 HD22 LEU A 88 5.282 -0.824 2.679 1.00 0.00 H new ATOM 0 HD23 LEU A 88 3.978 -1.392 3.749 1.00 0.00 H new ATOM 1424 N GLU A 89 3.584 1.573 6.889 1.00 0.00 N ATOM 1425 CA GLU A 89 2.398 1.536 7.730 1.00 0.00 C ATOM 1426 C GLU A 89 1.117 1.514 6.909 1.00 0.00 C ATOM 1427 O GLU A 89 0.873 2.404 6.098 1.00 0.00 O ATOM 1428 CB GLU A 89 2.389 2.733 8.676 1.00 0.00 C ATOM 1429 CG GLU A 89 3.338 2.568 9.843 1.00 0.00 C ATOM 1430 CD GLU A 89 3.166 3.642 10.898 1.00 0.00 C ATOM 1431 OE1 GLU A 89 3.839 4.689 10.794 1.00 0.00 O ATOM 1432 OE2 GLU A 89 2.358 3.437 11.828 1.00 0.00 O ATOM 0 H GLU A 89 3.449 2.019 5.982 1.00 0.00 H new ATOM 0 HA GLU A 89 2.435 0.613 8.308 1.00 0.00 H new ATOM 0 HB2 GLU A 89 2.658 3.631 8.120 1.00 0.00 H new ATOM 0 HB3 GLU A 89 1.378 2.883 9.055 1.00 0.00 H new ATOM 0 HG2 GLU A 89 3.180 1.590 10.298 1.00 0.00 H new ATOM 0 HG3 GLU A 89 4.364 2.587 9.476 1.00 0.00 H new ATOM 1439 N LEU A 90 0.322 0.467 7.112 1.00 0.00 N ATOM 1440 CA LEU A 90 -0.952 0.311 6.433 1.00 0.00 C ATOM 1441 C LEU A 90 -2.092 0.322 7.441 1.00 0.00 C ATOM 1442 O LEU A 90 -1.876 0.111 8.635 1.00 0.00 O ATOM 1443 CB LEU A 90 -0.966 -0.985 5.629 1.00 0.00 C ATOM 1444 CG LEU A 90 -0.228 -0.907 4.297 1.00 0.00 C ATOM 1445 CD1 LEU A 90 1.227 -0.522 4.506 1.00 0.00 C ATOM 1446 CD2 LEU A 90 -0.339 -2.220 3.539 1.00 0.00 C ATOM 0 H LEU A 90 0.547 -0.294 7.752 1.00 0.00 H new ATOM 0 HA LEU A 90 -1.087 1.147 5.747 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -0.521 -1.777 6.231 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -2.001 -1.271 5.441 1.00 0.00 H new ATOM 0 HG LEU A 90 -0.699 -0.130 3.695 1.00 0.00 H new ATOM 0 HD11 LEU A 90 1.733 -0.473 3.542 1.00 0.00 H new ATOM 0 HD12 LEU A 90 1.279 0.452 4.993 1.00 0.00 H new ATOM 0 HD13 LEU A 90 1.714 -1.268 5.133 1.00 0.00 H new ATOM 0 HD21 LEU A 90 0.195 -2.140 2.592 1.00 0.00 H new ATOM 0 HD22 LEU A 90 0.097 -3.022 4.135 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -1.389 -2.441 3.346 1.00 0.00 H new ATOM 1458 N VAL A 91 -3.305 0.562 6.958 1.00 0.00 N ATOM 1459 CA VAL A 91 -4.463 0.619 7.840 1.00 0.00 C ATOM 1460 C VAL A 91 -5.772 0.382 7.085 1.00 0.00 C ATOM 1461 O VAL A 91 -5.863 0.617 5.877 1.00 0.00 O ATOM 1462 CB VAL A 91 -4.543 1.989 8.540 1.00 0.00 C ATOM 1463 CG1 VAL A 91 -4.794 3.093 7.521 1.00 0.00 C ATOM 1464 CG2 VAL A 91 -5.617 1.989 9.618 1.00 0.00 C ATOM 0 H VAL A 91 -3.511 0.719 5.971 1.00 0.00 H new ATOM 0 HA VAL A 91 -4.334 -0.175 8.576 1.00 0.00 H new ATOM 0 HB VAL A 91 -3.586 2.181 9.025 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -4.848 4.054 8.032 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -3.979 3.112 6.797 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -5.735 2.904 7.004 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -5.652 2.968 10.096 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -6.585 1.770 9.167 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -5.384 1.229 10.364 1.00 0.00 H new ATOM 1474 N TYR A 92 -6.778 -0.087 7.818 1.00 0.00 N ATOM 1475 CA TYR A 92 -8.101 -0.333 7.260 1.00 0.00 C ATOM 1476 C TYR A 92 -9.014 0.836 7.623 1.00 0.00 C ATOM 1477 O TYR A 92 -9.708 0.798 8.636 1.00 0.00 O ATOM 1478 CB TYR A 92 -8.666 -1.649 7.806 1.00 0.00 C ATOM 1479 CG TYR A 92 -9.677 -2.325 6.903 1.00 0.00 C ATOM 1480 CD1 TYR A 92 -9.486 -2.385 5.528 1.00 0.00 C ATOM 1481 CD2 TYR A 92 -10.818 -2.914 7.433 1.00 0.00 C ATOM 1482 CE1 TYR A 92 -10.406 -3.010 4.707 1.00 0.00 C ATOM 1483 CE2 TYR A 92 -11.742 -3.543 6.618 1.00 0.00 C ATOM 1484 CZ TYR A 92 -11.531 -3.588 5.256 1.00 0.00 C ATOM 1485 OH TYR A 92 -12.447 -4.212 4.442 1.00 0.00 O ATOM 0 H TYR A 92 -6.698 -0.306 8.811 1.00 0.00 H new ATOM 0 HA TYR A 92 -8.036 -0.417 6.175 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -7.840 -2.338 7.984 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -9.133 -1.456 8.772 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -8.605 -1.936 5.094 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -10.987 -2.880 8.499 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -10.244 -3.045 3.640 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -12.624 -3.996 7.046 1.00 0.00 H new ATOM 0 HH TYR A 92 -13.314 -3.762 4.520 1.00 0.00 H new ATOM 1495 N THR A 93 -8.998 1.876 6.792 1.00 0.00 N ATOM 1496 CA THR A 93 -9.784 3.085 7.050 1.00 0.00 C ATOM 1497 C THR A 93 -10.953 3.254 6.087 1.00 0.00 C ATOM 1498 O THR A 93 -11.071 2.529 5.110 1.00 0.00 O ATOM 1499 CB THR A 93 -8.893 4.331 6.939 1.00 0.00 C ATOM 1500 OG1 THR A 93 -9.691 5.517 7.010 1.00 0.00 O ATOM 1501 CG2 THR A 93 -8.114 4.312 5.633 1.00 0.00 C ATOM 0 H THR A 93 -8.449 1.908 5.933 1.00 0.00 H new ATOM 0 HA THR A 93 -10.184 2.974 8.058 1.00 0.00 H new ATOM 0 HB THR A 93 -8.188 4.326 7.770 1.00 0.00 H new ATOM 0 HG1 THR A 93 -9.957 5.787 6.106 1.00 0.00 H new ATOM 0 HG21 THR A 93 -7.488 5.202 5.570 1.00 0.00 H new ATOM 0 HG22 THR A 93 -7.485 3.422 5.597 1.00 0.00 H new ATOM 0 HG23 THR A 93 -8.810 4.298 4.794 1.00 0.00 H new ATOM 1509 N ARG A 94 -11.810 4.233 6.373 1.00 0.00 N ATOM 1510 CA ARG A 94 -12.965 4.517 5.528 1.00 0.00 C ATOM 1511 C ARG A 94 -12.732 5.788 4.711 1.00 0.00 C ATOM 1512 O ARG A 94 -12.996 6.891 5.188 1.00 0.00 O ATOM 1513 CB ARG A 94 -14.228 4.686 6.377 1.00 0.00 C ATOM 1514 CG ARG A 94 -14.557 3.476 7.232 1.00 0.00 C ATOM 1515 CD ARG A 94 -15.828 3.691 8.038 1.00 0.00 C ATOM 1516 NE ARG A 94 -16.989 3.919 7.181 1.00 0.00 N ATOM 1517 CZ ARG A 94 -18.230 4.051 7.639 1.00 0.00 C ATOM 1518 NH1 ARG A 94 -18.470 3.980 8.941 1.00 0.00 N ATOM 1519 NH2 ARG A 94 -19.232 4.255 6.795 1.00 0.00 N ATOM 0 H ARG A 94 -11.724 4.843 7.186 1.00 0.00 H new ATOM 0 HA ARG A 94 -13.100 3.673 4.851 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -14.106 5.554 7.024 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -15.072 4.895 5.719 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -14.673 2.600 6.594 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -13.727 3.270 7.908 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -16.009 2.821 8.669 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -15.695 4.544 8.703 1.00 0.00 H new ATOM 0 HE ARG A 94 -16.839 3.980 6.174 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -17.702 3.824 9.593 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -19.423 4.082 9.290 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -19.051 4.311 5.793 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -20.184 4.356 7.148 1.00 0.00 H new ATOM 1533 N PRO A 95 -12.218 5.655 3.474 1.00 0.00 N ATOM 1534 CA PRO A 95 -11.960 6.804 2.599 1.00 0.00 C ATOM 1535 C PRO A 95 -13.158 7.743 2.507 1.00 0.00 C ATOM 1536 O PRO A 95 -13.002 8.948 2.300 1.00 0.00 O ATOM 1537 CB PRO A 95 -11.680 6.153 1.245 1.00 0.00 C ATOM 1538 CG PRO A 95 -11.118 4.818 1.587 1.00 0.00 C ATOM 1539 CD PRO A 95 -11.834 4.380 2.835 1.00 0.00 C ATOM 0 HA PRO A 95 -11.144 7.426 2.966 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -12.590 6.061 0.652 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -10.975 6.743 0.658 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -11.276 4.108 0.776 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -10.042 4.877 1.754 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -12.706 3.768 2.604 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -11.188 3.785 3.481 1.00 0.00 H new ATOM 1547 N PHE A 96 -14.350 7.183 2.662 1.00 0.00 N ATOM 1548 CA PHE A 96 -15.576 7.951 2.602 1.00 0.00 C ATOM 1549 C PHE A 96 -15.769 8.784 3.868 1.00 0.00 C ATOM 1550 O PHE A 96 -16.296 9.896 3.815 1.00 0.00 O ATOM 1551 CB PHE A 96 -16.751 6.997 2.415 1.00 0.00 C ATOM 1552 CG PHE A 96 -16.695 6.221 1.129 1.00 0.00 C ATOM 1553 CD1 PHE A 96 -15.883 5.105 1.014 1.00 0.00 C ATOM 1554 CD2 PHE A 96 -17.454 6.610 0.037 1.00 0.00 C ATOM 1555 CE1 PHE A 96 -15.828 4.389 -0.166 1.00 0.00 C ATOM 1556 CE2 PHE A 96 -17.404 5.898 -1.147 1.00 0.00 C ATOM 1557 CZ PHE A 96 -16.589 4.787 -1.249 1.00 0.00 C ATOM 0 H PHE A 96 -14.489 6.187 2.832 1.00 0.00 H new ATOM 0 HA PHE A 96 -15.520 8.640 1.759 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -16.778 6.298 3.251 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -17.680 7.567 2.446 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -15.286 4.791 1.857 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -18.091 7.479 0.112 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -15.192 3.520 -0.242 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -18.001 6.210 -1.991 1.00 0.00 H new ATOM 0 HZ PHE A 96 -16.547 4.230 -2.174 1.00 0.00 H new ATOM 1567 N GLU A 97 -15.337 8.240 5.004 1.00 0.00 N ATOM 1568 CA GLU A 97 -15.466 8.934 6.283 1.00 0.00 C ATOM 1569 C GLU A 97 -14.105 9.380 6.810 1.00 0.00 C ATOM 1570 O GLU A 97 -13.749 10.555 6.726 1.00 0.00 O ATOM 1571 CB GLU A 97 -16.146 8.027 7.312 1.00 0.00 C ATOM 1572 CG GLU A 97 -17.498 7.501 6.860 1.00 0.00 C ATOM 1573 CD GLU A 97 -18.496 8.609 6.586 1.00 0.00 C ATOM 1574 OE1 GLU A 97 -19.209 9.013 7.529 1.00 0.00 O ATOM 1575 OE2 GLU A 97 -18.563 9.075 5.429 1.00 0.00 O ATOM 0 H GLU A 97 -14.895 7.323 5.065 1.00 0.00 H new ATOM 0 HA GLU A 97 -16.079 9.821 6.121 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -15.491 7.183 7.529 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -16.273 8.579 8.243 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -17.368 6.904 5.957 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -17.899 6.837 7.626 1.00 0.00 H new ATOM 1582 N GLY A 98 -13.351 8.430 7.354 1.00 0.00 N ATOM 1583 CA GLY A 98 -12.040 8.735 7.900 1.00 0.00 C ATOM 1584 C GLY A 98 -11.405 7.538 8.563 1.00 0.00 C ATOM 1585 O GLY A 98 -11.945 6.432 8.519 1.00 0.00 O ATOM 0 H GLY A 98 -13.626 7.450 7.427 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -11.390 9.093 7.101 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -12.130 9.544 8.625 1.00 0.00 H new ATOM 1589 N ILE A 99 -10.257 7.761 9.179 1.00 0.00 N ATOM 1590 CA ILE A 99 -9.532 6.696 9.847 1.00 0.00 C ATOM 1591 C ILE A 99 -9.842 6.676 11.338 1.00 0.00 C ATOM 1592 O ILE A 99 -10.082 7.720 11.946 1.00 0.00 O ATOM 1593 CB ILE A 99 -8.021 6.856 9.641 1.00 0.00 C ATOM 1594 CG1 ILE A 99 -7.729 7.342 8.217 1.00 0.00 C ATOM 1595 CG2 ILE A 99 -7.317 5.534 9.915 1.00 0.00 C ATOM 1596 CD1 ILE A 99 -6.345 7.928 8.049 1.00 0.00 C ATOM 0 H ILE A 99 -9.806 8.674 9.230 1.00 0.00 H new ATOM 0 HA ILE A 99 -9.855 5.752 9.407 1.00 0.00 H new ATOM 0 HB ILE A 99 -7.643 7.602 10.340 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -7.847 6.508 7.526 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -8.469 8.093 7.940 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -6.244 5.656 9.767 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -7.509 5.226 10.943 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -7.694 4.773 9.232 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -6.209 8.251 7.017 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -6.229 8.783 8.715 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -5.598 7.173 8.294 1.00 0.00 H new ATOM 1608 N LYS A 100 -9.834 5.483 11.923 1.00 0.00 N ATOM 1609 CA LYS A 100 -10.128 5.327 13.342 1.00 0.00 C ATOM 1610 C LYS A 100 -9.141 4.361 14.000 1.00 0.00 C ATOM 1611 O LYS A 100 -8.533 3.534 13.326 1.00 0.00 O ATOM 1612 CB LYS A 100 -11.562 4.825 13.521 1.00 0.00 C ATOM 1613 CG LYS A 100 -12.514 5.333 12.453 1.00 0.00 C ATOM 1614 CD LYS A 100 -13.933 4.843 12.689 1.00 0.00 C ATOM 1615 CE LYS A 100 -14.929 5.985 12.607 1.00 0.00 C ATOM 1616 NZ LYS A 100 -16.322 5.529 12.877 1.00 0.00 N ATOM 0 H LYS A 100 -9.627 4.611 11.436 1.00 0.00 H new ATOM 0 HA LYS A 100 -10.025 6.297 13.827 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -11.562 3.735 13.509 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -11.928 5.133 14.500 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -12.502 6.423 12.443 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -12.172 5.001 11.473 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -14.186 4.083 11.950 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -13.999 4.369 13.668 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -14.655 6.758 13.325 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -14.881 6.438 11.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -16.971 6.339 12.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -16.594 4.810 12.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -16.374 5.120 13.832 1.00 0.00 H new ATOM 1630 N PRO A 101 -8.965 4.465 15.328 1.00 0.00 N ATOM 1631 CA PRO A 101 -8.044 3.599 16.078 1.00 0.00 C ATOM 1632 C PRO A 101 -8.425 2.123 15.998 1.00 0.00 C ATOM 1633 O PRO A 101 -7.578 1.266 15.744 1.00 0.00 O ATOM 1634 CB PRO A 101 -8.171 4.099 17.522 1.00 0.00 C ATOM 1635 CG PRO A 101 -8.747 5.469 17.409 1.00 0.00 C ATOM 1636 CD PRO A 101 -9.638 5.438 16.204 1.00 0.00 C ATOM 0 HA PRO A 101 -7.032 3.654 15.678 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -8.817 3.447 18.110 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -7.201 4.119 18.019 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -9.310 5.732 18.305 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -7.961 6.216 17.295 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -10.650 5.123 16.457 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -9.718 6.418 15.734 1.00 0.00 H new ATOM 1644 N GLU A 102 -9.703 1.834 16.219 1.00 0.00 N ATOM 1645 CA GLU A 102 -10.202 0.461 16.186 1.00 0.00 C ATOM 1646 C GLU A 102 -9.978 -0.193 14.823 1.00 0.00 C ATOM 1647 O GLU A 102 -10.121 -1.408 14.681 1.00 0.00 O ATOM 1648 CB GLU A 102 -11.686 0.436 16.531 1.00 0.00 C ATOM 1649 CG GLU A 102 -12.506 1.352 15.652 1.00 0.00 C ATOM 1650 CD GLU A 102 -13.985 1.320 15.984 1.00 0.00 C ATOM 1651 OE1 GLU A 102 -14.420 2.126 16.834 1.00 0.00 O ATOM 1652 OE2 GLU A 102 -14.708 0.490 15.394 1.00 0.00 O ATOM 0 H GLU A 102 -10.416 2.534 16.424 1.00 0.00 H new ATOM 0 HA GLU A 102 -9.642 -0.110 16.927 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -12.060 -0.583 16.435 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -11.817 0.726 17.573 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -12.138 2.373 15.756 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -12.367 1.067 14.609 1.00 0.00 H new ATOM 1659 N ASN A 103 -9.630 0.614 13.828 1.00 0.00 N ATOM 1660 CA ASN A 103 -9.394 0.108 12.479 1.00 0.00 C ATOM 1661 C ASN A 103 -8.199 -0.838 12.442 1.00 0.00 C ATOM 1662 O ASN A 103 -7.260 -0.703 13.228 1.00 0.00 O ATOM 1663 CB ASN A 103 -9.168 1.270 11.513 1.00 0.00 C ATOM 1664 CG ASN A 103 -10.438 2.056 11.235 1.00 0.00 C ATOM 1665 OD1 ASN A 103 -10.556 2.719 10.205 1.00 0.00 O ATOM 1666 ND2 ASN A 103 -11.398 1.981 12.149 1.00 0.00 N ATOM 0 H ASN A 103 -9.505 1.621 13.929 1.00 0.00 H new ATOM 0 HA ASN A 103 -10.278 -0.451 12.172 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -8.414 1.940 11.927 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -8.771 0.885 10.574 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -12.274 2.485 12.011 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -11.259 1.420 12.989 1.00 0.00 H new ATOM 1673 N GLU A 104 -8.243 -1.797 11.521 1.00 0.00 N ATOM 1674 CA GLU A 104 -7.168 -2.768 11.367 1.00 0.00 C ATOM 1675 C GLU A 104 -5.841 -2.065 11.094 1.00 0.00 C ATOM 1676 O GLU A 104 -5.813 -0.888 10.738 1.00 0.00 O ATOM 1677 CB GLU A 104 -7.500 -3.735 10.229 1.00 0.00 C ATOM 1678 CG GLU A 104 -7.113 -5.174 10.518 1.00 0.00 C ATOM 1679 CD GLU A 104 -7.756 -6.158 9.560 1.00 0.00 C ATOM 1680 OE1 GLU A 104 -8.988 -6.344 9.639 1.00 0.00 O ATOM 1681 OE2 GLU A 104 -7.028 -6.741 8.729 1.00 0.00 O ATOM 0 H GLU A 104 -9.017 -1.921 10.868 1.00 0.00 H new ATOM 0 HA GLU A 104 -7.071 -3.331 12.296 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -8.570 -3.690 10.026 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -6.990 -3.406 9.324 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -6.029 -5.273 10.460 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -7.402 -5.425 11.538 1.00 0.00 H new ATOM 1688 N ARG A 105 -4.744 -2.796 11.259 1.00 0.00 N ATOM 1689 CA ARG A 105 -3.411 -2.241 11.042 1.00 0.00 C ATOM 1690 C ARG A 105 -2.525 -3.229 10.294 1.00 0.00 C ATOM 1691 O ARG A 105 -2.847 -4.411 10.197 1.00 0.00 O ATOM 1692 CB ARG A 105 -2.765 -1.896 12.394 1.00 0.00 C ATOM 1693 CG ARG A 105 -1.348 -1.346 12.289 1.00 0.00 C ATOM 1694 CD ARG A 105 -1.352 0.169 12.286 1.00 0.00 C ATOM 1695 NE ARG A 105 -1.647 0.705 13.610 1.00 0.00 N ATOM 1696 CZ ARG A 105 -1.842 1.996 13.860 1.00 0.00 C ATOM 1697 NH1 ARG A 105 -1.773 2.883 12.876 1.00 0.00 N ATOM 1698 NH2 ARG A 105 -2.106 2.401 15.094 1.00 0.00 N ATOM 0 H ARG A 105 -4.751 -3.776 11.543 1.00 0.00 H new ATOM 0 HA ARG A 105 -3.511 -1.338 10.439 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -3.390 -1.164 12.906 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -2.750 -2.791 13.015 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -0.750 -1.710 13.125 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -0.878 -1.714 11.377 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -0.382 0.536 11.952 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -2.093 0.531 11.573 1.00 0.00 H new ATOM 0 HE ARG A 105 -1.707 0.051 14.390 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -1.570 2.575 11.925 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -1.923 3.873 13.070 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -2.160 1.722 15.853 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -2.255 3.392 15.285 1.00 0.00 H new ATOM 1712 N TYR A 106 -1.438 -2.719 9.721 1.00 0.00 N ATOM 1713 CA TYR A 106 -0.465 -3.549 9.026 1.00 0.00 C ATOM 1714 C TYR A 106 0.828 -2.775 8.818 1.00 0.00 C ATOM 1715 O TYR A 106 1.051 -2.174 7.769 1.00 0.00 O ATOM 1716 CB TYR A 106 -1.014 -4.073 7.700 1.00 0.00 C ATOM 1717 CG TYR A 106 -0.067 -5.019 6.993 1.00 0.00 C ATOM 1718 CD1 TYR A 106 0.902 -4.544 6.116 1.00 0.00 C ATOM 1719 CD2 TYR A 106 -0.138 -6.388 7.211 1.00 0.00 C ATOM 1720 CE1 TYR A 106 1.772 -5.407 5.477 1.00 0.00 C ATOM 1721 CE2 TYR A 106 0.729 -7.258 6.577 1.00 0.00 C ATOM 1722 CZ TYR A 106 1.681 -6.764 5.713 1.00 0.00 C ATOM 1723 OH TYR A 106 2.546 -7.629 5.082 1.00 0.00 O ATOM 0 H TYR A 106 -1.210 -1.725 9.726 1.00 0.00 H new ATOM 0 HA TYR A 106 -0.255 -4.419 9.649 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -1.959 -4.585 7.883 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -1.230 -3.229 7.045 1.00 0.00 H new ATOM 0 HD1 TYR A 106 0.976 -3.483 5.931 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -0.883 -6.780 7.887 1.00 0.00 H new ATOM 0 HE1 TYR A 106 2.518 -5.022 4.798 1.00 0.00 H new ATOM 0 HE2 TYR A 106 0.660 -8.320 6.758 1.00 0.00 H new ATOM 0 HH TYR A 106 2.349 -8.548 5.358 1.00 0.00 H new ATOM 1733 N THR A 107 1.671 -2.781 9.848 1.00 0.00 N ATOM 1734 CA THR A 107 2.946 -2.086 9.798 1.00 0.00 C ATOM 1735 C THR A 107 4.023 -3.003 9.237 1.00 0.00 C ATOM 1736 O THR A 107 4.132 -4.160 9.640 1.00 0.00 O ATOM 1737 CB THR A 107 3.371 -1.597 11.195 1.00 0.00 C ATOM 1738 OG1 THR A 107 2.302 -0.858 11.799 1.00 0.00 O ATOM 1739 CG2 THR A 107 4.610 -0.721 11.111 1.00 0.00 C ATOM 0 H THR A 107 1.489 -3.263 10.729 1.00 0.00 H new ATOM 0 HA THR A 107 2.825 -1.220 9.148 1.00 0.00 H new ATOM 0 HB THR A 107 3.604 -2.470 11.805 1.00 0.00 H new ATOM 0 HG1 THR A 107 2.578 -0.551 12.688 1.00 0.00 H new ATOM 0 HG21 THR A 107 4.889 -0.389 12.111 1.00 0.00 H new ATOM 0 HG22 THR A 107 5.430 -1.292 10.676 1.00 0.00 H new ATOM 0 HG23 THR A 107 4.400 0.147 10.486 1.00 0.00 H new ATOM 1747 N LEU A 108 4.816 -2.487 8.308 1.00 0.00 N ATOM 1748 CA LEU A 108 5.875 -3.284 7.698 1.00 0.00 C ATOM 1749 C LEU A 108 7.247 -2.679 7.968 1.00 0.00 C ATOM 1750 O LEU A 108 7.808 -1.982 7.122 1.00 0.00 O ATOM 1751 CB LEU A 108 5.648 -3.419 6.189 1.00 0.00 C ATOM 1752 CG LEU A 108 6.600 -4.378 5.470 1.00 0.00 C ATOM 1753 CD1 LEU A 108 6.444 -5.792 6.007 1.00 0.00 C ATOM 1754 CD2 LEU A 108 6.352 -4.344 3.970 1.00 0.00 C ATOM 0 H LEU A 108 4.749 -1.530 7.962 1.00 0.00 H new ATOM 0 HA LEU A 108 5.844 -4.275 8.150 1.00 0.00 H new ATOM 0 HB2 LEU A 108 4.625 -3.754 6.020 1.00 0.00 H new ATOM 0 HB3 LEU A 108 5.740 -2.433 5.734 1.00 0.00 H new ATOM 0 HG LEU A 108 7.624 -4.054 5.658 1.00 0.00 H new ATOM 0 HD11 LEU A 108 7.129 -6.458 5.483 1.00 0.00 H new ATOM 0 HD12 LEU A 108 6.671 -5.803 7.073 1.00 0.00 H new ATOM 0 HD13 LEU A 108 5.419 -6.130 5.851 1.00 0.00 H new ATOM 0 HD21 LEU A 108 7.036 -5.031 3.472 1.00 0.00 H new ATOM 0 HD22 LEU A 108 5.324 -4.643 3.764 1.00 0.00 H new ATOM 0 HD23 LEU A 108 6.517 -3.333 3.597 1.00 0.00 H new ATOM 1766 N HIS A 109 7.779 -2.948 9.155 1.00 0.00 N ATOM 1767 CA HIS A 109 9.093 -2.443 9.529 1.00 0.00 C ATOM 1768 C HIS A 109 10.162 -3.088 8.659 1.00 0.00 C ATOM 1769 O HIS A 109 10.055 -4.258 8.289 1.00 0.00 O ATOM 1770 CB HIS A 109 9.374 -2.702 11.005 1.00 0.00 C ATOM 1771 CG HIS A 109 8.827 -1.656 11.926 1.00 0.00 C ATOM 1772 ND1 HIS A 109 9.598 -0.649 12.467 1.00 0.00 N ATOM 1773 CD2 HIS A 109 7.576 -1.472 12.411 1.00 0.00 C ATOM 1774 CE1 HIS A 109 8.845 0.109 13.244 1.00 0.00 C ATOM 1775 NE2 HIS A 109 7.615 -0.369 13.227 1.00 0.00 N ATOM 0 H HIS A 109 7.322 -3.511 9.872 1.00 0.00 H new ATOM 0 HA HIS A 109 9.111 -1.365 9.369 1.00 0.00 H new ATOM 0 HB2 HIS A 109 8.952 -3.669 11.280 1.00 0.00 H new ATOM 0 HB3 HIS A 109 10.452 -2.772 11.151 1.00 0.00 H new ATOM 0 HD2 HIS A 109 6.709 -2.080 12.196 1.00 0.00 H new ATOM 0 HE1 HIS A 109 9.179 0.973 13.799 1.00 0.00 H new ATOM 0 HE2 HIS A 109 6.822 0.019 13.738 1.00 0.00 H new ATOM 1784 N LEU A 110 11.196 -2.323 8.348 1.00 0.00 N ATOM 1785 CA LEU A 110 12.274 -2.799 7.494 1.00 0.00 C ATOM 1786 C LEU A 110 13.624 -2.257 7.942 1.00 0.00 C ATOM 1787 O LEU A 110 13.910 -1.071 7.783 1.00 0.00 O ATOM 1788 CB LEU A 110 12.014 -2.385 6.043 1.00 0.00 C ATOM 1789 CG LEU A 110 10.793 -3.037 5.386 1.00 0.00 C ATOM 1790 CD1 LEU A 110 10.579 -2.476 3.989 1.00 0.00 C ATOM 1791 CD2 LEU A 110 10.953 -4.549 5.335 1.00 0.00 C ATOM 0 H LEU A 110 11.312 -1.364 8.676 1.00 0.00 H new ATOM 0 HA LEU A 110 12.301 -3.886 7.570 1.00 0.00 H new ATOM 0 HB2 LEU A 110 11.891 -1.303 6.008 1.00 0.00 H new ATOM 0 HB3 LEU A 110 12.897 -2.625 5.450 1.00 0.00 H new ATOM 0 HG LEU A 110 9.915 -2.807 5.990 1.00 0.00 H new ATOM 0 HD11 LEU A 110 9.708 -2.950 3.536 1.00 0.00 H new ATOM 0 HD12 LEU A 110 10.416 -1.400 4.050 1.00 0.00 H new ATOM 0 HD13 LEU A 110 11.459 -2.676 3.378 1.00 0.00 H new ATOM 0 HD21 LEU A 110 10.075 -4.992 4.865 1.00 0.00 H new ATOM 0 HD22 LEU A 110 11.841 -4.802 4.756 1.00 0.00 H new ATOM 0 HD23 LEU A 110 11.058 -4.938 6.348 1.00 0.00 H new ATOM 1803 N ASN A 111 14.449 -3.130 8.508 1.00 0.00 N ATOM 1804 CA ASN A 111 15.779 -2.738 8.949 1.00 0.00 C ATOM 1805 C ASN A 111 16.729 -2.772 7.758 1.00 0.00 C ATOM 1806 O ASN A 111 17.802 -3.373 7.813 1.00 0.00 O ATOM 1807 CB ASN A 111 16.273 -3.667 10.059 1.00 0.00 C ATOM 1808 CG ASN A 111 17.583 -3.200 10.667 1.00 0.00 C ATOM 1809 OD1 ASN A 111 17.875 -2.006 10.697 1.00 0.00 O ATOM 1810 ND2 ASN A 111 18.377 -4.145 11.158 1.00 0.00 N ATOM 0 H ASN A 111 14.220 -4.110 8.671 1.00 0.00 H new ATOM 0 HA ASN A 111 15.743 -1.726 9.353 1.00 0.00 H new ATOM 0 HB2 ASN A 111 15.515 -3.730 10.840 1.00 0.00 H new ATOM 0 HB3 ASN A 111 16.400 -4.672 9.657 1.00 0.00 H new ATOM 0 HD21 ASN A 111 19.270 -3.892 11.582 1.00 0.00 H new ATOM 0 HD22 ASN A 111 18.094 -5.124 11.112 1.00 0.00 H new ATOM 1817 N VAL A 112 16.302 -2.119 6.679 1.00 0.00 N ATOM 1818 CA VAL A 112 17.065 -2.060 5.435 1.00 0.00 C ATOM 1819 C VAL A 112 18.563 -1.944 5.698 1.00 0.00 C ATOM 1820 O VAL A 112 19.037 -0.927 6.205 1.00 0.00 O ATOM 1821 CB VAL A 112 16.622 -0.865 4.563 1.00 0.00 C ATOM 1822 CG1 VAL A 112 16.984 -1.106 3.107 1.00 0.00 C ATOM 1823 CG2 VAL A 112 15.131 -0.600 4.710 1.00 0.00 C ATOM 0 H VAL A 112 15.416 -1.615 6.643 1.00 0.00 H new ATOM 0 HA VAL A 112 16.866 -2.992 4.906 1.00 0.00 H new ATOM 0 HB VAL A 112 17.154 0.021 4.910 1.00 0.00 H new ATOM 0 HG11 VAL A 112 16.665 -0.254 2.507 1.00 0.00 H new ATOM 0 HG12 VAL A 112 18.063 -1.230 3.016 1.00 0.00 H new ATOM 0 HG13 VAL A 112 16.484 -2.007 2.752 1.00 0.00 H new ATOM 0 HG21 VAL A 112 14.849 0.247 4.084 1.00 0.00 H new ATOM 0 HG22 VAL A 112 14.572 -1.483 4.400 1.00 0.00 H new ATOM 0 HG23 VAL A 112 14.903 -0.374 5.752 1.00 0.00 H new ATOM 1833 N LYS A 113 19.304 -2.993 5.351 1.00 0.00 N ATOM 1834 CA LYS A 113 20.749 -3.008 5.544 1.00 0.00 C ATOM 1835 C LYS A 113 21.424 -1.948 4.677 1.00 0.00 C ATOM 1836 O LYS A 113 21.613 -0.816 5.169 1.00 0.00 O ATOM 1837 CB LYS A 113 21.312 -4.390 5.211 1.00 0.00 C ATOM 1838 CG LYS A 113 20.959 -5.456 6.235 1.00 0.00 C ATOM 1839 CD LYS A 113 21.686 -5.227 7.550 1.00 0.00 C ATOM 1840 CE LYS A 113 21.465 -6.377 8.518 1.00 0.00 C ATOM 1841 NZ LYS A 113 21.983 -7.664 7.979 1.00 0.00 N ATOM 1842 OXT LYS A 113 21.759 -2.261 3.516 1.00 0.00 O ATOM 0 H LYS A 113 18.926 -3.844 4.934 1.00 0.00 H new ATOM 0 HA LYS A 113 20.955 -2.781 6.590 1.00 0.00 H new ATOM 0 HB2 LYS A 113 20.939 -4.699 4.235 1.00 0.00 H new ATOM 0 HB3 LYS A 113 22.397 -4.321 5.131 1.00 0.00 H new ATOM 0 HG2 LYS A 113 19.883 -5.454 6.408 1.00 0.00 H new ATOM 0 HG3 LYS A 113 21.217 -6.439 5.842 1.00 0.00 H new ATOM 0 HD2 LYS A 113 22.753 -5.110 7.361 1.00 0.00 H new ATOM 0 HD3 LYS A 113 21.338 -4.298 8.002 1.00 0.00 H new ATOM 0 HE2 LYS A 113 21.958 -6.155 9.464 1.00 0.00 H new ATOM 0 HE3 LYS A 113 20.400 -6.474 8.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 22.097 -8.345 8.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 21.312 -8.043 7.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 22.903 -7.504 7.522 1.00 0.00 H new TER 1856 LYS A 113