USER MOD reduce.3.24.130724 H: found=0, std=0, add=898, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 898 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 79 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 105 ASN : amide:sc= -0.139 X(o=-0.14,f=-0.13) USER MOD Set 2.1: A 24 ASN : amide:sc= 0 X(o=-0.5,f=-0.5) USER MOD Set 2.2: A 28 GLN : amide:sc= -0.499 X(o=-0.5,f=0) USER MOD Set 3.1: A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 59 THR OG1 : rot 37:sc= 0.0342 USER MOD Single : A 4 TYR OH : rot -165:sc= -0.948 USER MOD Single : A 6 THR OG1 : rot 180:sc= -0.913 USER MOD Single : A 12 HIS : no HD1:sc= -0.978 K(o=-0.98,f=-2) USER MOD Single : A 16 THR OG1 : rot -100:sc= 0.711 USER MOD Single : A 17 THR OG1 : rot -38:sc= 0.379 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 169:sc=-0.00221 (180deg=-0.115) USER MOD Single : A 31 SER OG : rot -83:sc= 0.386 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ -164:sc= -0.0108 (180deg=-0.179) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 LYS NZ :NH3+ -123:sc= -0.0169 (180deg=-0.306) USER MOD Single : A 46 ASN : amide:sc= -0.462 X(o=-0.46,f=-0.00099) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc=-0.00826 K(o=-0.0083,f=-1) USER MOD Single : A 56 LYS NZ :NH3+ -166:sc=-0.00938 (180deg=-0.17) USER MOD Single : A 57 TYR OH : rot 165:sc= 0 USER MOD Single : A 61 HIS : no HE2:sc= -1.21 K(o=-1.2,f=-2.9!) USER MOD Single : A 62 TYR OH : rot -15:sc= -1.46 USER MOD Single : A 64 THR OG1 : rot 88:sc= 0.0788 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 180:sc=-2.86e-05 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 ASN : amide:sc= -0.0516 K(o=-0.052,f=-0.63) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot 0:sc= 0.0367 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 115 TYR OH : rot -147:sc= 0.203 USER MOD Single : A 116 CYS SG : rot 162:sc= -11.2! USER MOD Single : A 119 LYS NZ :NH3+ 167:sc=-0.00903 (180deg=-0.17) USER MOD Single : A 120 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 4 -7.653 -19.290 -12.867 1.00 0.00 N ATOM 2 CA TYR A 4 -8.167 -17.914 -12.847 1.00 0.00 C ATOM 3 C TYR A 4 -7.579 -17.168 -11.644 1.00 0.00 C ATOM 4 O TYR A 4 -7.222 -17.775 -10.631 1.00 0.00 O ATOM 5 CB TYR A 4 -9.697 -18.047 -12.795 1.00 0.00 C ATOM 6 CG TYR A 4 -10.484 -16.747 -12.862 1.00 0.00 C ATOM 7 CD1 TYR A 4 -10.904 -16.245 -14.056 1.00 0.00 C ATOM 8 CD2 TYR A 4 -10.886 -16.156 -11.705 1.00 0.00 C ATOM 9 CE1 TYR A 4 -11.768 -15.197 -14.085 1.00 0.00 C ATOM 10 CE2 TYR A 4 -11.746 -15.107 -11.734 1.00 0.00 C ATOM 11 CZ TYR A 4 -12.207 -14.646 -12.922 1.00 0.00 C ATOM 12 OH TYR A 4 -13.144 -13.649 -12.942 1.00 0.00 O ATOM 0 HA TYR A 4 -7.882 -17.331 -13.722 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -10.014 -18.683 -13.621 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -9.965 -18.564 -11.873 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -10.551 -16.680 -14.979 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -10.519 -16.524 -10.758 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -12.106 -14.802 -15.031 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -12.062 -14.641 -10.813 1.00 0.00 H new ATOM 0 HH TYR A 4 -13.172 -13.208 -12.067 1.00 0.00 H new ATOM 22 N LYS A 5 -7.557 -15.839 -11.715 1.00 0.00 N ATOM 23 CA LYS A 5 -7.213 -15.037 -10.544 1.00 0.00 C ATOM 24 C LYS A 5 -8.301 -14.000 -10.252 1.00 0.00 C ATOM 25 O LYS A 5 -8.837 -13.334 -11.138 1.00 0.00 O ATOM 26 CB LYS A 5 -5.901 -14.308 -10.853 1.00 0.00 C ATOM 27 CG LYS A 5 -4.682 -15.235 -10.817 1.00 0.00 C ATOM 28 CD LYS A 5 -3.390 -14.452 -11.066 1.00 0.00 C ATOM 29 CE LYS A 5 -2.170 -15.376 -11.052 1.00 0.00 C ATOM 30 NZ LYS A 5 -0.944 -14.600 -11.293 1.00 0.00 N ATOM 0 H LYS A 5 -7.769 -15.302 -12.556 1.00 0.00 H new ATOM 0 HA LYS A 5 -7.117 -15.684 -9.672 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -5.971 -13.846 -11.838 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -5.760 -13.502 -10.132 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -4.628 -15.734 -9.849 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -4.791 -16.014 -11.572 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -3.451 -13.941 -12.027 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -3.275 -13.683 -10.302 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -2.103 -15.888 -10.092 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -2.278 -16.146 -11.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -0.122 -15.237 -11.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -1.006 -14.132 -12.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -0.836 -13.882 -10.549 1.00 0.00 H new ATOM 44 N THR A 6 -8.534 -13.822 -8.960 1.00 0.00 N ATOM 45 CA THR A 6 -9.255 -12.646 -8.454 1.00 0.00 C ATOM 46 C THR A 6 -8.188 -11.621 -8.074 1.00 0.00 C ATOM 47 O THR A 6 -7.275 -11.942 -7.316 1.00 0.00 O ATOM 48 CB THR A 6 -10.152 -12.995 -7.254 1.00 0.00 C ATOM 49 OG1 THR A 6 -10.805 -11.820 -6.799 1.00 0.00 O ATOM 50 CG2 THR A 6 -9.411 -13.603 -6.066 1.00 0.00 C ATOM 0 H THR A 6 -8.236 -14.475 -8.235 1.00 0.00 H new ATOM 0 HA THR A 6 -9.928 -12.250 -9.214 1.00 0.00 H new ATOM 0 HB THR A 6 -10.850 -13.748 -7.620 1.00 0.00 H new ATOM 0 HG1 THR A 6 -11.379 -12.039 -6.035 1.00 0.00 H new ATOM 0 HG21 THR A 6 -10.120 -13.818 -5.266 1.00 0.00 H new ATOM 0 HG22 THR A 6 -8.923 -14.527 -6.376 1.00 0.00 H new ATOM 0 HG23 THR A 6 -8.661 -12.899 -5.706 1.00 0.00 H new ATOM 58 N GLY A 7 -8.215 -10.438 -8.680 1.00 0.00 N ATOM 59 CA GLY A 7 -7.202 -9.435 -8.338 1.00 0.00 C ATOM 60 C GLY A 7 -7.764 -8.123 -7.802 1.00 0.00 C ATOM 61 O GLY A 7 -8.865 -8.035 -7.259 1.00 0.00 O ATOM 0 H GLY A 7 -8.896 -10.153 -9.383 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -6.528 -9.858 -7.593 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -6.605 -9.224 -9.225 1.00 0.00 H new ATOM 65 N LEU A 8 -6.891 -7.128 -7.869 1.00 0.00 N ATOM 66 CA LEU A 8 -7.084 -5.868 -7.150 1.00 0.00 C ATOM 67 C LEU A 8 -6.784 -4.744 -8.118 1.00 0.00 C ATOM 68 O LEU A 8 -5.807 -4.794 -8.868 1.00 0.00 O ATOM 69 CB LEU A 8 -6.040 -5.788 -6.022 1.00 0.00 C ATOM 70 CG LEU A 8 -6.302 -4.677 -5.000 1.00 0.00 C ATOM 71 CD1 LEU A 8 -7.714 -4.674 -4.409 1.00 0.00 C ATOM 72 CD2 LEU A 8 -5.272 -4.764 -3.871 1.00 0.00 C ATOM 0 H LEU A 8 -6.033 -7.166 -8.419 1.00 0.00 H new ATOM 0 HA LEU A 8 -8.096 -5.801 -6.751 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -6.010 -6.745 -5.501 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -5.055 -5.635 -6.464 1.00 0.00 H new ATOM 0 HG LEU A 8 -6.208 -3.740 -5.549 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -7.808 -3.855 -3.696 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -8.443 -4.545 -5.209 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -7.897 -5.620 -3.900 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -5.460 -3.973 -3.145 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -5.352 -5.734 -3.380 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -4.270 -4.647 -4.283 1.00 0.00 H new ATOM 84 N LEU A 9 -7.583 -3.695 -8.060 1.00 0.00 N ATOM 85 CA LEU A 9 -7.232 -2.485 -8.765 1.00 0.00 C ATOM 86 C LEU A 9 -7.209 -1.319 -7.766 1.00 0.00 C ATOM 87 O LEU A 9 -8.146 -1.078 -7.005 1.00 0.00 O ATOM 88 CB LEU A 9 -8.218 -2.420 -9.924 1.00 0.00 C ATOM 89 CG LEU A 9 -8.256 -1.053 -10.578 1.00 0.00 C ATOM 90 CD1 LEU A 9 -6.896 -0.761 -11.186 1.00 0.00 C ATOM 91 CD2 LEU A 9 -9.287 -1.151 -11.672 1.00 0.00 C ATOM 0 H LEU A 9 -8.461 -3.658 -7.542 1.00 0.00 H new ATOM 0 HA LEU A 9 -6.232 -2.444 -9.197 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -7.948 -3.168 -10.669 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -9.215 -2.675 -9.564 1.00 0.00 H new ATOM 0 HG LEU A 9 -8.498 -0.262 -9.868 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -6.912 0.221 -11.659 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -6.137 -0.774 -10.404 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -6.661 -1.520 -11.932 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -9.364 -0.193 -12.186 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -8.990 -1.922 -12.383 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -10.253 -1.409 -11.239 1.00 0.00 H new ATOM 103 N LEU A 10 -6.103 -0.592 -7.825 1.00 0.00 N ATOM 104 CA LEU A 10 -5.947 0.670 -7.087 1.00 0.00 C ATOM 105 C LEU A 10 -5.820 1.783 -8.125 1.00 0.00 C ATOM 106 O LEU A 10 -4.950 1.748 -8.995 1.00 0.00 O ATOM 107 CB LEU A 10 -4.742 0.726 -6.132 1.00 0.00 C ATOM 108 CG LEU A 10 -5.023 0.190 -4.728 1.00 0.00 C ATOM 109 CD1 LEU A 10 -5.161 -1.332 -4.742 1.00 0.00 C ATOM 110 CD2 LEU A 10 -3.882 0.595 -3.796 1.00 0.00 C ATOM 0 H LEU A 10 -5.288 -0.851 -8.380 1.00 0.00 H new ATOM 0 HA LEU A 10 -6.820 0.777 -6.443 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -3.922 0.156 -6.568 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -4.405 1.759 -6.052 1.00 0.00 H new ATOM 0 HG LEU A 10 -5.962 0.615 -4.373 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -5.361 -1.689 -3.731 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -5.985 -1.617 -5.397 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -4.236 -1.778 -5.108 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -4.079 0.215 -2.794 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -2.945 0.178 -4.165 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -3.807 1.682 -3.763 1.00 0.00 H new ATOM 122 N ILE A 11 -6.733 2.740 -8.083 1.00 0.00 N ATOM 123 CA ILE A 11 -6.805 3.749 -9.153 1.00 0.00 C ATOM 124 C ILE A 11 -6.812 5.154 -8.540 1.00 0.00 C ATOM 125 O ILE A 11 -7.467 5.407 -7.527 1.00 0.00 O ATOM 126 CB ILE A 11 -8.042 3.437 -10.012 1.00 0.00 C ATOM 127 CG1 ILE A 11 -8.176 4.387 -11.207 1.00 0.00 C ATOM 128 CG2 ILE A 11 -9.352 3.389 -9.208 1.00 0.00 C ATOM 129 CD1 ILE A 11 -9.228 3.876 -12.193 1.00 0.00 C ATOM 0 H ILE A 11 -7.425 2.848 -7.341 1.00 0.00 H new ATOM 0 HA ILE A 11 -5.932 3.716 -9.805 1.00 0.00 H new ATOM 0 HB ILE A 11 -7.870 2.431 -10.395 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -8.452 5.382 -10.857 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -7.214 4.482 -11.711 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -10.182 3.164 -9.878 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -9.282 2.614 -8.444 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -9.522 4.354 -8.731 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -9.305 4.567 -13.033 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -8.936 2.891 -12.559 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -10.193 3.805 -11.691 1.00 0.00 H new ATOM 141 N HIS A 12 -6.095 6.079 -9.174 1.00 0.00 N ATOM 142 CA HIS A 12 -6.143 7.481 -8.739 1.00 0.00 C ATOM 143 C HIS A 12 -7.046 8.264 -9.718 1.00 0.00 C ATOM 144 O HIS A 12 -6.849 8.168 -10.930 1.00 0.00 O ATOM 145 CB HIS A 12 -4.717 8.043 -8.758 1.00 0.00 C ATOM 146 CG HIS A 12 -4.603 9.550 -8.564 1.00 0.00 C ATOM 147 ND1 HIS A 12 -5.233 10.291 -7.574 1.00 0.00 N ATOM 148 CD2 HIS A 12 -3.916 10.390 -9.454 1.00 0.00 C ATOM 149 CE1 HIS A 12 -4.844 11.546 -7.978 1.00 0.00 C ATOM 150 NE2 HIS A 12 -4.038 11.704 -9.068 1.00 0.00 N ATOM 0 H HIS A 12 -5.487 5.895 -9.972 1.00 0.00 H new ATOM 0 HA HIS A 12 -6.548 7.568 -7.731 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -4.140 7.549 -7.976 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -4.254 7.781 -9.710 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -3.368 10.052 -10.321 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -5.179 12.414 -7.429 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -3.642 12.550 -9.477 1.00 0.00 H new ATOM 158 N PRO A 13 -8.029 9.043 -9.247 1.00 0.00 N ATOM 159 CA PRO A 13 -9.044 9.642 -10.136 1.00 0.00 C ATOM 160 C PRO A 13 -8.630 10.633 -11.234 1.00 0.00 C ATOM 161 O PRO A 13 -9.486 11.043 -12.021 1.00 0.00 O ATOM 162 CB PRO A 13 -9.870 10.433 -9.127 1.00 0.00 C ATOM 163 CG PRO A 13 -9.894 9.547 -7.889 1.00 0.00 C ATOM 164 CD PRO A 13 -8.480 8.970 -7.845 1.00 0.00 C ATOM 0 HA PRO A 13 -9.486 8.835 -10.720 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -9.418 11.402 -8.915 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -10.876 10.625 -9.499 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -10.124 10.118 -6.990 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -10.647 8.763 -7.970 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -7.832 9.547 -7.185 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -8.477 7.944 -7.476 1.00 0.00 H new ATOM 172 N ALA A 14 -7.409 11.155 -11.214 1.00 0.00 N ATOM 173 CA ALA A 14 -7.137 12.388 -11.978 1.00 0.00 C ATOM 174 C ALA A 14 -7.184 12.258 -13.502 1.00 0.00 C ATOM 175 O ALA A 14 -7.890 13.027 -14.157 1.00 0.00 O ATOM 176 CB ALA A 14 -5.775 12.949 -11.573 1.00 0.00 C ATOM 0 H ALA A 14 -6.614 10.771 -10.703 1.00 0.00 H new ATOM 0 HA ALA A 14 -7.957 13.058 -11.720 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -5.574 13.860 -12.137 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -5.777 13.176 -10.507 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -5.000 12.212 -11.785 1.00 0.00 H new ATOM 182 N VAL A 15 -6.494 11.280 -14.079 1.00 0.00 N ATOM 183 CA VAL A 15 -6.690 10.991 -15.512 1.00 0.00 C ATOM 184 C VAL A 15 -7.909 10.062 -15.709 1.00 0.00 C ATOM 185 O VAL A 15 -8.572 10.111 -16.745 1.00 0.00 O ATOM 186 CB VAL A 15 -5.390 10.433 -16.129 1.00 0.00 C ATOM 187 CG1 VAL A 15 -5.589 9.926 -17.563 1.00 0.00 C ATOM 188 CG2 VAL A 15 -4.314 11.527 -16.169 1.00 0.00 C ATOM 0 H VAL A 15 -5.814 10.687 -13.604 1.00 0.00 H new ATOM 0 HA VAL A 15 -6.914 11.914 -16.047 1.00 0.00 H new ATOM 0 HB VAL A 15 -5.086 9.598 -15.499 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -4.643 9.545 -17.949 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -6.331 9.128 -17.567 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -5.934 10.745 -18.194 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -3.401 11.123 -16.606 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -4.667 12.363 -16.773 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -4.109 11.873 -15.156 1.00 0.00 H new ATOM 198 N THR A 16 -8.196 9.204 -14.731 1.00 0.00 N ATOM 199 CA THR A 16 -9.190 8.138 -14.904 1.00 0.00 C ATOM 200 C THR A 16 -10.663 8.560 -14.741 1.00 0.00 C ATOM 201 O THR A 16 -11.548 7.728 -14.947 1.00 0.00 O ATOM 202 CB THR A 16 -8.839 6.994 -13.947 1.00 0.00 C ATOM 203 OG1 THR A 16 -8.926 7.435 -12.600 1.00 0.00 O ATOM 204 CG2 THR A 16 -7.440 6.429 -14.213 1.00 0.00 C ATOM 0 H THR A 16 -7.757 9.224 -13.811 1.00 0.00 H new ATOM 0 HA THR A 16 -9.129 7.826 -15.947 1.00 0.00 H new ATOM 0 HB THR A 16 -9.561 6.196 -14.121 1.00 0.00 H new ATOM 0 HG1 THR A 16 -8.028 7.639 -12.264 1.00 0.00 H new ATOM 0 HG21 THR A 16 -7.235 5.621 -13.511 1.00 0.00 H new ATOM 0 HG22 THR A 16 -7.390 6.046 -15.232 1.00 0.00 H new ATOM 0 HG23 THR A 16 -6.699 7.218 -14.085 1.00 0.00 H new ATOM 212 N THR A 17 -10.968 9.832 -14.462 1.00 0.00 N ATOM 213 CA THR A 17 -12.373 10.284 -14.556 1.00 0.00 C ATOM 214 C THR A 17 -12.832 10.495 -16.024 1.00 0.00 C ATOM 215 O THR A 17 -13.990 10.826 -16.284 1.00 0.00 O ATOM 216 CB THR A 17 -12.537 11.562 -13.713 1.00 0.00 C ATOM 217 OG1 THR A 17 -13.915 11.900 -13.635 1.00 0.00 O ATOM 218 CG2 THR A 17 -11.765 12.768 -14.263 1.00 0.00 C ATOM 0 H THR A 17 -10.297 10.546 -14.180 1.00 0.00 H new ATOM 0 HA THR A 17 -13.021 9.502 -14.160 1.00 0.00 H new ATOM 0 HB THR A 17 -12.122 11.338 -12.731 1.00 0.00 H new ATOM 0 HG1 THR A 17 -14.347 11.714 -14.495 1.00 0.00 H new ATOM 0 HG21 THR A 17 -11.929 13.630 -13.617 1.00 0.00 H new ATOM 0 HG22 THR A 17 -10.701 12.535 -14.294 1.00 0.00 H new ATOM 0 HG23 THR A 17 -12.116 12.997 -15.269 1.00 0.00 H new ATOM 226 N THR A 18 -11.952 10.175 -16.973 1.00 0.00 N ATOM 227 CA THR A 18 -12.315 9.974 -18.384 1.00 0.00 C ATOM 228 C THR A 18 -12.067 8.474 -18.662 1.00 0.00 C ATOM 229 O THR A 18 -10.969 8.123 -19.102 1.00 0.00 O ATOM 230 CB THR A 18 -11.527 10.900 -19.317 1.00 0.00 C ATOM 231 OG1 THR A 18 -11.695 12.251 -18.904 1.00 0.00 O ATOM 232 CG2 THR A 18 -12.069 10.756 -20.738 1.00 0.00 C ATOM 0 H THR A 18 -10.958 10.046 -16.787 1.00 0.00 H new ATOM 0 HA THR A 18 -13.356 10.233 -18.577 1.00 0.00 H new ATOM 0 HB THR A 18 -10.471 10.631 -19.284 1.00 0.00 H new ATOM 0 HG1 THR A 18 -11.189 12.841 -19.501 1.00 0.00 H new ATOM 0 HG21 THR A 18 -11.513 11.412 -21.408 1.00 0.00 H new ATOM 0 HG22 THR A 18 -11.957 9.723 -21.067 1.00 0.00 H new ATOM 0 HG23 THR A 18 -13.124 11.030 -20.755 1.00 0.00 H new ATOM 240 N PRO A 19 -12.907 7.575 -18.121 1.00 0.00 N ATOM 241 CA PRO A 19 -12.529 6.184 -17.809 1.00 0.00 C ATOM 242 C PRO A 19 -12.372 5.235 -19.011 1.00 0.00 C ATOM 243 O PRO A 19 -12.742 4.061 -18.949 1.00 0.00 O ATOM 244 CB PRO A 19 -13.704 5.779 -16.909 1.00 0.00 C ATOM 245 CG PRO A 19 -14.907 6.545 -17.454 1.00 0.00 C ATOM 246 CD PRO A 19 -14.326 7.873 -17.934 1.00 0.00 C ATOM 0 HA PRO A 19 -11.534 6.116 -17.370 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -13.874 4.703 -16.943 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -13.511 6.038 -15.868 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -15.387 6.003 -18.269 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -15.663 6.697 -16.684 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -14.793 8.204 -18.862 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -14.477 8.666 -17.201 1.00 0.00 H new ATOM 254 N GLU A 20 -11.726 5.702 -20.073 1.00 0.00 N ATOM 255 CA GLU A 20 -11.218 4.789 -21.112 1.00 0.00 C ATOM 256 C GLU A 20 -10.094 3.877 -20.587 1.00 0.00 C ATOM 257 O GLU A 20 -10.048 2.692 -20.921 1.00 0.00 O ATOM 258 CB GLU A 20 -10.660 5.609 -22.278 1.00 0.00 C ATOM 259 CG GLU A 20 -11.745 6.367 -23.052 1.00 0.00 C ATOM 260 CD GLU A 20 -11.139 7.184 -24.185 1.00 0.00 C ATOM 261 OE1 GLU A 20 -11.009 6.653 -25.309 1.00 0.00 O ATOM 262 OE2 GLU A 20 -10.790 8.363 -23.957 1.00 0.00 O ATOM 0 H GLU A 20 -11.539 6.690 -20.244 1.00 0.00 H new ATOM 0 HA GLU A 20 -12.052 4.163 -21.428 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -9.929 6.322 -21.896 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -10.131 4.945 -22.961 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -12.469 5.660 -23.456 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -12.287 7.026 -22.374 1.00 0.00 H new ATOM 269 N LEU A 21 -9.188 4.419 -19.768 1.00 0.00 N ATOM 270 CA LEU A 21 -8.130 3.599 -19.145 1.00 0.00 C ATOM 271 C LEU A 21 -8.701 2.508 -18.218 1.00 0.00 C ATOM 272 O LEU A 21 -8.097 1.447 -18.068 1.00 0.00 O ATOM 273 CB LEU A 21 -7.166 4.490 -18.343 1.00 0.00 C ATOM 274 CG LEU A 21 -6.253 5.403 -19.184 1.00 0.00 C ATOM 275 CD1 LEU A 21 -6.996 6.591 -19.804 1.00 0.00 C ATOM 276 CD2 LEU A 21 -5.130 5.945 -18.295 1.00 0.00 C ATOM 0 H LEU A 21 -9.160 5.408 -19.520 1.00 0.00 H new ATOM 0 HA LEU A 21 -7.597 3.105 -19.957 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -7.752 5.114 -17.668 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -6.539 3.850 -17.722 1.00 0.00 H new ATOM 0 HG LEU A 21 -5.864 4.795 -20.001 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -6.298 7.195 -20.383 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -7.787 6.224 -20.458 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -7.432 7.200 -19.013 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -4.480 6.592 -18.884 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -5.561 6.515 -17.472 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -4.549 5.114 -17.895 1.00 0.00 H new ATOM 288 N VAL A 22 -9.858 2.758 -17.604 1.00 0.00 N ATOM 289 CA VAL A 22 -10.543 1.712 -16.815 1.00 0.00 C ATOM 290 C VAL A 22 -10.976 0.544 -17.717 1.00 0.00 C ATOM 291 O VAL A 22 -10.674 -0.610 -17.419 1.00 0.00 O ATOM 292 CB VAL A 22 -11.738 2.324 -16.055 1.00 0.00 C ATOM 293 CG1 VAL A 22 -12.492 1.270 -15.234 1.00 0.00 C ATOM 294 CG2 VAL A 22 -11.288 3.438 -15.101 1.00 0.00 C ATOM 0 H VAL A 22 -10.340 3.656 -17.631 1.00 0.00 H new ATOM 0 HA VAL A 22 -9.848 1.308 -16.079 1.00 0.00 H new ATOM 0 HB VAL A 22 -12.400 2.735 -16.818 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -13.326 1.742 -14.714 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -12.871 0.494 -15.899 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -11.815 0.824 -14.505 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -12.156 3.846 -14.583 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -10.588 3.031 -14.371 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -10.800 4.229 -15.670 1.00 0.00 H new ATOM 304 N GLU A 23 -11.649 0.829 -18.829 1.00 0.00 N ATOM 305 CA GLU A 23 -12.026 -0.243 -19.771 1.00 0.00 C ATOM 306 C GLU A 23 -10.827 -1.009 -20.355 1.00 0.00 C ATOM 307 O GLU A 23 -10.930 -2.201 -20.633 1.00 0.00 O ATOM 308 CB GLU A 23 -12.834 0.358 -20.930 1.00 0.00 C ATOM 309 CG GLU A 23 -14.165 0.992 -20.506 1.00 0.00 C ATOM 310 CD GLU A 23 -15.135 -0.024 -19.915 1.00 0.00 C ATOM 311 OE1 GLU A 23 -15.794 -0.751 -20.691 1.00 0.00 O ATOM 312 OE2 GLU A 23 -15.243 -0.101 -18.672 1.00 0.00 O ATOM 0 H GLU A 23 -11.943 1.766 -19.103 1.00 0.00 H new ATOM 0 HA GLU A 23 -12.614 -0.959 -19.197 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -12.227 1.114 -21.428 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -13.034 -0.424 -21.663 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -13.973 1.775 -19.773 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -14.627 1.470 -21.370 1.00 0.00 H new ATOM 319 N ASN A 24 -9.698 -0.332 -20.545 1.00 0.00 N ATOM 320 CA ASN A 24 -8.492 -0.971 -21.089 1.00 0.00 C ATOM 321 C ASN A 24 -7.817 -1.934 -20.111 1.00 0.00 C ATOM 322 O ASN A 24 -7.469 -3.050 -20.488 1.00 0.00 O ATOM 323 CB ASN A 24 -7.517 0.156 -21.425 1.00 0.00 C ATOM 324 CG ASN A 24 -6.902 0.014 -22.812 1.00 0.00 C ATOM 325 OD1 ASN A 24 -5.867 -0.624 -22.999 1.00 0.00 O ATOM 326 ND2 ASN A 24 -7.540 0.609 -23.802 1.00 0.00 N ATOM 0 H ASN A 24 -9.588 0.659 -20.332 1.00 0.00 H new ATOM 0 HA ASN A 24 -8.776 -1.567 -21.956 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -8.038 1.111 -21.360 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -6.721 0.175 -20.680 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -7.177 0.547 -24.753 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -8.396 1.131 -23.616 1.00 0.00 H new ATOM 333 N THR A 25 -7.621 -1.509 -18.861 1.00 0.00 N ATOM 334 CA THR A 25 -7.060 -2.433 -17.854 1.00 0.00 C ATOM 335 C THR A 25 -7.989 -3.646 -17.635 1.00 0.00 C ATOM 336 O THR A 25 -7.531 -4.791 -17.582 1.00 0.00 O ATOM 337 CB THR A 25 -6.668 -1.703 -16.553 1.00 0.00 C ATOM 338 OG1 THR A 25 -5.886 -2.582 -15.756 1.00 0.00 O ATOM 339 CG2 THR A 25 -7.837 -1.201 -15.703 1.00 0.00 C ATOM 0 H THR A 25 -7.830 -0.570 -18.523 1.00 0.00 H new ATOM 0 HA THR A 25 -6.125 -2.835 -18.244 1.00 0.00 H new ATOM 0 HB THR A 25 -6.123 -0.814 -16.871 1.00 0.00 H new ATOM 0 HG1 THR A 25 -5.629 -2.129 -14.926 1.00 0.00 H new ATOM 0 HG21 THR A 25 -7.452 -0.704 -14.813 1.00 0.00 H new ATOM 0 HG22 THR A 25 -8.433 -0.497 -16.283 1.00 0.00 H new ATOM 0 HG23 THR A 25 -8.460 -2.045 -15.406 1.00 0.00 H new ATOM 347 N LYS A 26 -9.300 -3.401 -17.600 1.00 0.00 N ATOM 348 CA LYS A 26 -10.271 -4.497 -17.622 1.00 0.00 C ATOM 349 C LYS A 26 -10.193 -5.329 -18.913 1.00 0.00 C ATOM 350 O LYS A 26 -10.337 -6.548 -18.844 1.00 0.00 O ATOM 351 CB LYS A 26 -11.690 -3.927 -17.459 1.00 0.00 C ATOM 352 CG LYS A 26 -11.915 -3.174 -16.138 1.00 0.00 C ATOM 353 CD LYS A 26 -11.813 -4.094 -14.921 1.00 0.00 C ATOM 354 CE LYS A 26 -12.108 -3.364 -13.606 1.00 0.00 C ATOM 355 NZ LYS A 26 -13.514 -2.934 -13.532 1.00 0.00 N ATOM 0 H LYS A 26 -9.710 -2.468 -17.557 1.00 0.00 H new ATOM 0 HA LYS A 26 -10.030 -5.163 -16.794 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -11.897 -3.252 -18.289 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -12.408 -4.744 -17.526 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -11.180 -2.374 -16.049 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -12.898 -2.703 -16.154 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -12.511 -4.923 -15.037 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -10.812 -4.524 -14.877 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -11.882 -4.020 -12.766 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -11.455 -2.496 -13.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -13.729 -2.613 -12.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -13.674 -2.153 -14.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -14.134 -3.732 -13.778 1.00 0.00 H new ATOM 369 N ALA A 27 -9.975 -4.723 -20.086 1.00 0.00 N ATOM 370 CA ALA A 27 -9.894 -5.520 -21.324 1.00 0.00 C ATOM 371 C ALA A 27 -8.644 -6.405 -21.410 1.00 0.00 C ATOM 372 O ALA A 27 -8.719 -7.555 -21.848 1.00 0.00 O ATOM 373 CB ALA A 27 -9.979 -4.592 -22.538 1.00 0.00 C ATOM 0 H ALA A 27 -9.854 -3.718 -20.208 1.00 0.00 H new ATOM 0 HA ALA A 27 -10.741 -6.206 -21.312 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -9.919 -5.182 -23.452 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -10.925 -4.051 -22.517 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -9.154 -3.881 -22.511 1.00 0.00 H new ATOM 379 N GLN A 28 -7.501 -5.880 -20.980 1.00 0.00 N ATOM 380 CA GLN A 28 -6.271 -6.681 -20.879 1.00 0.00 C ATOM 381 C GLN A 28 -6.460 -7.911 -19.984 1.00 0.00 C ATOM 382 O GLN A 28 -6.217 -9.041 -20.408 1.00 0.00 O ATOM 383 CB GLN A 28 -5.196 -5.813 -20.222 1.00 0.00 C ATOM 384 CG GLN A 28 -4.665 -4.659 -21.085 1.00 0.00 C ATOM 385 CD GLN A 28 -4.086 -3.524 -20.237 1.00 0.00 C ATOM 386 OE1 GLN A 28 -4.077 -2.364 -20.647 1.00 0.00 O ATOM 387 NE2 GLN A 28 -3.628 -3.826 -19.031 1.00 0.00 N ATOM 0 H GLN A 28 -7.394 -4.907 -20.695 1.00 0.00 H new ATOM 0 HA GLN A 28 -5.999 -7.009 -21.882 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -5.602 -5.398 -19.299 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -4.358 -6.451 -19.943 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -3.896 -5.036 -21.759 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -5.472 -4.271 -21.707 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -3.643 -4.793 -18.707 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -3.260 -3.091 -18.426 1.00 0.00 H new ATOM 396 N ALA A 29 -6.880 -7.685 -18.739 1.00 0.00 N ATOM 397 CA ALA A 29 -7.070 -8.811 -17.807 1.00 0.00 C ATOM 398 C ALA A 29 -8.190 -9.773 -18.255 1.00 0.00 C ATOM 399 O ALA A 29 -8.071 -10.989 -18.099 1.00 0.00 O ATOM 400 CB ALA A 29 -7.323 -8.222 -16.420 1.00 0.00 C ATOM 0 H ALA A 29 -7.091 -6.764 -18.355 1.00 0.00 H new ATOM 0 HA ALA A 29 -6.173 -9.430 -17.789 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -7.468 -9.030 -15.703 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -6.466 -7.619 -16.119 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -8.215 -7.596 -16.448 1.00 0.00 H new ATOM 406 N ALA A 30 -9.279 -9.232 -18.797 1.00 0.00 N ATOM 407 CA ALA A 30 -10.486 -10.043 -19.056 1.00 0.00 C ATOM 408 C ALA A 30 -10.437 -10.903 -20.329 1.00 0.00 C ATOM 409 O ALA A 30 -10.908 -12.040 -20.301 1.00 0.00 O ATOM 410 CB ALA A 30 -11.710 -9.126 -19.111 1.00 0.00 C ATOM 0 H ALA A 30 -9.360 -8.251 -19.065 1.00 0.00 H new ATOM 0 HA ALA A 30 -10.545 -10.750 -18.229 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -12.603 -9.722 -19.302 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -11.818 -8.606 -18.159 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -11.583 -8.397 -19.911 1.00 0.00 H new ATOM 416 N SER A 31 -9.851 -10.425 -21.432 1.00 0.00 N ATOM 417 CA SER A 31 -9.601 -11.304 -22.592 1.00 0.00 C ATOM 418 C SER A 31 -8.734 -12.533 -22.264 1.00 0.00 C ATOM 419 O SER A 31 -8.887 -13.586 -22.885 1.00 0.00 O ATOM 420 CB SER A 31 -8.954 -10.480 -23.710 1.00 0.00 C ATOM 421 OG SER A 31 -7.689 -9.976 -23.304 1.00 0.00 O ATOM 0 H SER A 31 -9.545 -9.459 -21.551 1.00 0.00 H new ATOM 0 HA SER A 31 -10.566 -11.700 -22.910 1.00 0.00 H new ATOM 0 HB2 SER A 31 -8.835 -11.098 -24.600 1.00 0.00 H new ATOM 0 HB3 SER A 31 -9.609 -9.652 -23.982 1.00 0.00 H new ATOM 0 HG SER A 31 -7.815 -9.149 -22.793 1.00 0.00 H new ATOM 427 N LYS A 32 -7.869 -12.425 -21.257 1.00 0.00 N ATOM 428 CA LYS A 32 -7.162 -13.594 -20.735 1.00 0.00 C ATOM 429 C LYS A 32 -8.065 -14.258 -19.683 1.00 0.00 C ATOM 430 O LYS A 32 -9.160 -14.732 -19.991 1.00 0.00 O ATOM 431 CB LYS A 32 -5.797 -13.115 -20.210 1.00 0.00 C ATOM 432 CG LYS A 32 -4.875 -12.596 -21.321 1.00 0.00 C ATOM 433 CD LYS A 32 -3.519 -12.161 -20.759 1.00 0.00 C ATOM 434 CE LYS A 32 -2.605 -11.629 -21.866 1.00 0.00 C ATOM 435 NZ LYS A 32 -1.308 -11.223 -21.303 1.00 0.00 N ATOM 0 H LYS A 32 -7.642 -11.548 -20.789 1.00 0.00 H new ATOM 0 HA LYS A 32 -6.955 -14.356 -21.486 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -5.953 -12.324 -19.476 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -5.304 -13.938 -19.692 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -4.728 -13.375 -22.069 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -5.349 -11.754 -21.826 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -3.666 -11.389 -20.003 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -3.040 -13.005 -20.263 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -2.456 -12.397 -22.625 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -3.077 -10.780 -22.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -0.697 -10.864 -22.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -1.456 -10.475 -20.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -0.854 -12.042 -20.852 1.00 0.00 H new ATOM 449 N LYS A 33 -7.582 -14.334 -18.454 1.00 0.00 N ATOM 450 CA LYS A 33 -8.253 -15.134 -17.408 1.00 0.00 C ATOM 451 C LYS A 33 -7.961 -14.596 -15.997 1.00 0.00 C ATOM 452 O LYS A 33 -7.785 -15.305 -15.007 1.00 0.00 O ATOM 453 CB LYS A 33 -7.754 -16.559 -17.596 1.00 0.00 C ATOM 454 CG LYS A 33 -8.687 -17.638 -17.044 1.00 0.00 C ATOM 455 CD LYS A 33 -10.057 -17.544 -17.725 1.00 0.00 C ATOM 456 CE LYS A 33 -10.890 -18.821 -17.583 1.00 0.00 C ATOM 457 NZ LYS A 33 -10.304 -19.934 -18.348 1.00 0.00 N ATOM 0 H LYS A 33 -6.734 -13.860 -18.144 1.00 0.00 H new ATOM 0 HA LYS A 33 -9.338 -15.083 -17.504 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -7.601 -16.739 -18.660 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -6.782 -16.656 -17.113 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -8.255 -18.625 -17.212 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -8.798 -17.518 -15.966 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -10.611 -16.707 -17.299 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -9.915 -17.326 -18.784 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -10.958 -19.097 -16.531 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -11.906 -18.634 -17.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -11.010 -20.689 -18.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -10.012 -19.594 -19.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -9.476 -20.306 -17.841 1.00 0.00 H new ATOM 471 N VAL A 34 -7.982 -13.284 -15.976 1.00 0.00 N ATOM 472 CA VAL A 34 -7.943 -12.481 -14.746 1.00 0.00 C ATOM 473 C VAL A 34 -9.060 -11.432 -14.808 1.00 0.00 C ATOM 474 O VAL A 34 -8.965 -10.479 -15.580 1.00 0.00 O ATOM 475 CB VAL A 34 -6.583 -11.751 -14.630 1.00 0.00 C ATOM 476 CG1 VAL A 34 -6.508 -10.925 -13.342 1.00 0.00 C ATOM 477 CG2 VAL A 34 -5.380 -12.698 -14.663 1.00 0.00 C ATOM 0 H VAL A 34 -8.028 -12.720 -16.824 1.00 0.00 H new ATOM 0 HA VAL A 34 -8.076 -13.135 -13.884 1.00 0.00 H new ATOM 0 HB VAL A 34 -6.531 -11.103 -15.505 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -5.542 -10.423 -13.287 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -7.304 -10.180 -13.340 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -6.625 -11.583 -12.481 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -4.460 -12.120 -14.577 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -5.447 -13.400 -13.832 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -5.376 -13.249 -15.604 1.00 0.00 H new ATOM 487 N LYS A 35 -10.104 -11.542 -13.993 1.00 0.00 N ATOM 488 CA LYS A 35 -11.029 -10.401 -13.863 1.00 0.00 C ATOM 489 C LYS A 35 -10.752 -9.735 -12.513 1.00 0.00 C ATOM 490 O LYS A 35 -10.495 -10.409 -11.512 1.00 0.00 O ATOM 491 CB LYS A 35 -12.502 -10.814 -13.982 1.00 0.00 C ATOM 492 CG LYS A 35 -12.807 -11.556 -15.290 1.00 0.00 C ATOM 493 CD LYS A 35 -14.304 -11.839 -15.442 1.00 0.00 C ATOM 494 CE LYS A 35 -14.587 -12.600 -16.739 1.00 0.00 C ATOM 495 NZ LYS A 35 -16.028 -12.862 -16.871 1.00 0.00 N ATOM 0 H LYS A 35 -10.333 -12.364 -13.433 1.00 0.00 H new ATOM 0 HA LYS A 35 -10.855 -9.705 -14.683 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -12.765 -11.451 -13.138 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -13.130 -9.925 -13.919 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -12.461 -10.961 -16.135 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -12.254 -12.495 -15.313 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -14.657 -12.421 -14.590 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -14.858 -10.900 -15.438 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -14.236 -12.021 -17.593 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -14.037 -13.541 -16.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -16.207 -13.379 -17.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -16.352 -13.433 -16.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -16.545 -11.960 -16.887 1.00 0.00 H new ATOM 509 N PHE A 36 -10.816 -8.406 -12.475 1.00 0.00 N ATOM 510 CA PHE A 36 -10.534 -7.701 -11.209 1.00 0.00 C ATOM 511 C PHE A 36 -11.856 -7.590 -10.443 1.00 0.00 C ATOM 512 O PHE A 36 -12.932 -7.380 -11.009 1.00 0.00 O ATOM 513 CB PHE A 36 -9.842 -6.334 -11.395 1.00 0.00 C ATOM 514 CG PHE A 36 -8.548 -6.378 -12.200 1.00 0.00 C ATOM 515 CD1 PHE A 36 -7.528 -7.211 -11.845 1.00 0.00 C ATOM 516 CD2 PHE A 36 -8.386 -5.532 -13.254 1.00 0.00 C ATOM 517 CE1 PHE A 36 -6.374 -7.219 -12.561 1.00 0.00 C ATOM 518 CE2 PHE A 36 -7.232 -5.539 -13.968 1.00 0.00 C ATOM 519 CZ PHE A 36 -6.228 -6.386 -13.625 1.00 0.00 C ATOM 0 H PHE A 36 -11.050 -7.808 -13.267 1.00 0.00 H new ATOM 0 HA PHE A 36 -9.808 -8.277 -10.636 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -10.537 -5.654 -11.888 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -9.628 -5.914 -10.412 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -7.638 -7.865 -10.993 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -9.180 -4.852 -13.523 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -5.572 -7.888 -12.285 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -7.112 -4.871 -14.808 1.00 0.00 H new ATOM 0 HZ PHE A 36 -5.313 -6.398 -14.198 1.00 0.00 H new ATOM 529 N VAL A 37 -11.754 -7.795 -9.137 1.00 0.00 N ATOM 530 CA VAL A 37 -12.948 -8.026 -8.302 1.00 0.00 C ATOM 531 C VAL A 37 -13.238 -6.827 -7.395 1.00 0.00 C ATOM 532 O VAL A 37 -14.403 -6.509 -7.159 1.00 0.00 O ATOM 533 CB VAL A 37 -12.843 -9.358 -7.521 1.00 0.00 C ATOM 534 CG1 VAL A 37 -14.018 -9.562 -6.570 1.00 0.00 C ATOM 535 CG2 VAL A 37 -12.802 -10.528 -8.511 1.00 0.00 C ATOM 0 H VAL A 37 -10.871 -7.808 -8.627 1.00 0.00 H new ATOM 0 HA VAL A 37 -13.807 -8.125 -8.965 1.00 0.00 H new ATOM 0 HB VAL A 37 -11.929 -9.317 -6.928 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -13.900 -10.510 -6.044 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -14.046 -8.747 -5.847 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -14.948 -9.575 -7.138 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -12.728 -11.467 -7.962 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -13.712 -10.529 -9.111 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -11.937 -10.421 -9.165 1.00 0.00 H new ATOM 545 N ASP A 38 -12.204 -6.167 -6.877 1.00 0.00 N ATOM 546 CA ASP A 38 -12.437 -5.059 -5.943 1.00 0.00 C ATOM 547 C ASP A 38 -11.815 -3.763 -6.454 1.00 0.00 C ATOM 548 O ASP A 38 -11.083 -3.717 -7.446 1.00 0.00 O ATOM 549 CB ASP A 38 -11.956 -5.407 -4.529 1.00 0.00 C ATOM 550 CG ASP A 38 -12.714 -6.611 -3.970 1.00 0.00 C ATOM 551 OD1 ASP A 38 -13.881 -6.451 -3.556 1.00 0.00 O ATOM 552 OD2 ASP A 38 -12.148 -7.725 -3.964 1.00 0.00 O ATOM 0 H ASP A 38 -11.224 -6.368 -7.077 1.00 0.00 H new ATOM 0 HA ASP A 38 -13.513 -4.897 -5.883 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -10.888 -5.623 -4.548 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -12.096 -4.548 -3.872 1.00 0.00 H new ATOM 557 N GLN A 39 -12.173 -2.692 -5.760 1.00 0.00 N ATOM 558 CA GLN A 39 -11.745 -1.353 -6.166 1.00 0.00 C ATOM 559 C GLN A 39 -11.291 -0.608 -4.934 1.00 0.00 C ATOM 560 O GLN A 39 -12.027 -0.457 -3.958 1.00 0.00 O ATOM 561 CB GLN A 39 -12.886 -0.584 -6.836 1.00 0.00 C ATOM 562 CG GLN A 39 -12.516 0.839 -7.261 1.00 0.00 C ATOM 563 CD GLN A 39 -13.615 1.477 -8.104 1.00 0.00 C ATOM 564 OE1 GLN A 39 -14.612 1.980 -7.588 1.00 0.00 O ATOM 565 NE2 GLN A 39 -13.445 1.471 -9.414 1.00 0.00 N ATOM 0 H GLN A 39 -12.753 -2.718 -4.921 1.00 0.00 H new ATOM 0 HA GLN A 39 -10.933 -1.442 -6.888 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -13.218 -1.139 -7.714 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -13.731 -0.538 -6.149 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -12.336 1.449 -6.375 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -11.586 0.819 -7.829 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -12.610 1.048 -9.818 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -14.149 1.890 -10.022 1.00 0.00 H new ATOM 574 N PHE A 40 -10.067 -0.122 -5.023 1.00 0.00 N ATOM 575 CA PHE A 40 -9.535 0.718 -3.948 1.00 0.00 C ATOM 576 C PHE A 40 -9.089 2.048 -4.564 1.00 0.00 C ATOM 577 O PHE A 40 -8.261 2.103 -5.470 1.00 0.00 O ATOM 578 CB PHE A 40 -8.411 0.019 -3.183 1.00 0.00 C ATOM 579 CG PHE A 40 -8.766 -1.151 -2.259 1.00 0.00 C ATOM 580 CD1 PHE A 40 -10.004 -1.319 -1.719 1.00 0.00 C ATOM 581 CD2 PHE A 40 -7.781 -2.035 -1.937 1.00 0.00 C ATOM 582 CE1 PHE A 40 -10.244 -2.333 -0.848 1.00 0.00 C ATOM 583 CE2 PHE A 40 -8.019 -3.048 -1.063 1.00 0.00 C ATOM 584 CZ PHE A 40 -9.249 -3.193 -0.512 1.00 0.00 C ATOM 0 H PHE A 40 -9.431 -0.284 -5.804 1.00 0.00 H new ATOM 0 HA PHE A 40 -10.310 0.908 -3.205 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -7.690 -0.345 -3.915 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -7.902 0.772 -2.582 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -10.801 -0.641 -1.985 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -6.802 -1.930 -2.380 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -11.229 -2.455 -0.422 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -7.228 -3.738 -0.807 1.00 0.00 H new ATOM 0 HZ PHE A 40 -9.437 -3.990 0.192 1.00 0.00 H new ATOM 594 N LEU A 41 -9.683 3.137 -4.099 1.00 0.00 N ATOM 595 CA LEU A 41 -9.301 4.469 -4.590 1.00 0.00 C ATOM 596 C LEU A 41 -8.235 5.019 -3.642 1.00 0.00 C ATOM 597 O LEU A 41 -8.256 4.745 -2.445 1.00 0.00 O ATOM 598 CB LEU A 41 -10.537 5.388 -4.534 1.00 0.00 C ATOM 599 CG LEU A 41 -11.430 5.430 -5.782 1.00 0.00 C ATOM 600 CD1 LEU A 41 -10.728 6.170 -6.919 1.00 0.00 C ATOM 601 CD2 LEU A 41 -11.881 4.041 -6.236 1.00 0.00 C ATOM 0 H LEU A 41 -10.420 3.135 -3.394 1.00 0.00 H new ATOM 0 HA LEU A 41 -8.925 4.417 -5.612 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -11.151 5.079 -3.688 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -10.196 6.402 -4.327 1.00 0.00 H new ATOM 0 HG LEU A 41 -12.332 5.975 -5.506 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -11.376 6.190 -7.795 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -10.508 7.191 -6.607 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -9.798 5.658 -7.167 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -12.509 4.134 -7.122 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -11.007 3.434 -6.473 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -12.449 3.564 -5.437 1.00 0.00 H new ATOM 613 N ILE A 42 -7.324 5.840 -4.151 1.00 0.00 N ATOM 614 CA ILE A 42 -6.285 6.425 -3.288 1.00 0.00 C ATOM 615 C ILE A 42 -6.829 7.355 -2.183 1.00 0.00 C ATOM 616 O ILE A 42 -6.368 7.288 -1.042 1.00 0.00 O ATOM 617 CB ILE A 42 -5.204 7.025 -4.216 1.00 0.00 C ATOM 618 CG1 ILE A 42 -3.930 7.442 -3.483 1.00 0.00 C ATOM 619 CG2 ILE A 42 -5.661 8.240 -5.029 1.00 0.00 C ATOM 620 CD1 ILE A 42 -3.449 6.398 -2.474 1.00 0.00 C ATOM 0 H ILE A 42 -7.276 6.116 -5.132 1.00 0.00 H new ATOM 0 HA ILE A 42 -5.818 5.653 -2.676 1.00 0.00 H new ATOM 0 HB ILE A 42 -5.003 6.193 -4.890 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -3.141 7.624 -4.213 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -4.108 8.384 -2.965 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -4.838 8.593 -5.650 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -6.500 7.958 -5.665 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -5.971 9.036 -4.351 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -2.541 6.754 -1.987 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -4.222 6.234 -1.724 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -3.240 5.461 -2.991 1.00 0.00 H new ATOM 632 N ASN A 43 -7.831 8.182 -2.482 1.00 0.00 N ATOM 633 CA ASN A 43 -8.403 9.049 -1.436 1.00 0.00 C ATOM 634 C ASN A 43 -9.379 8.302 -0.504 1.00 0.00 C ATOM 635 O ASN A 43 -9.461 8.626 0.682 1.00 0.00 O ATOM 636 CB ASN A 43 -9.099 10.229 -2.132 1.00 0.00 C ATOM 637 CG ASN A 43 -9.558 11.309 -1.152 1.00 0.00 C ATOM 638 OD1 ASN A 43 -8.751 12.010 -0.543 1.00 0.00 O ATOM 639 ND2 ASN A 43 -10.861 11.461 -0.988 1.00 0.00 N ATOM 0 H ASN A 43 -8.256 8.274 -3.405 1.00 0.00 H new ATOM 0 HA ASN A 43 -7.597 9.401 -0.791 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -8.416 10.670 -2.858 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -9.961 9.860 -2.688 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -11.215 12.171 -0.346 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -11.512 10.869 -1.503 1.00 0.00 H new ATOM 646 N LYS A 44 -10.076 7.279 -0.997 1.00 0.00 N ATOM 647 CA LYS A 44 -10.988 6.511 -0.143 1.00 0.00 C ATOM 648 C LYS A 44 -10.259 5.471 0.718 1.00 0.00 C ATOM 649 O LYS A 44 -10.697 5.189 1.832 1.00 0.00 O ATOM 650 CB LYS A 44 -12.020 5.802 -1.023 1.00 0.00 C ATOM 651 CG LYS A 44 -12.941 6.771 -1.775 1.00 0.00 C ATOM 652 CD LYS A 44 -14.005 6.012 -2.577 1.00 0.00 C ATOM 653 CE LYS A 44 -14.982 6.954 -3.288 1.00 0.00 C ATOM 654 NZ LYS A 44 -14.312 7.733 -4.342 1.00 0.00 N ATOM 0 H LYS A 44 -10.030 6.965 -1.966 1.00 0.00 H new ATOM 0 HA LYS A 44 -11.470 7.214 0.536 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -11.501 5.171 -1.744 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -12.626 5.143 -0.402 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -13.426 7.441 -1.065 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -12.349 7.392 -2.447 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -13.515 5.376 -3.315 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -14.560 5.354 -1.908 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -15.795 6.374 -3.724 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -15.429 7.633 -2.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -14.444 8.748 -4.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -13.296 7.511 -4.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -14.722 7.491 -5.267 1.00 0.00 H new ATOM 668 N LEU A 45 -9.160 4.889 0.234 1.00 0.00 N ATOM 669 CA LEU A 45 -8.415 3.921 1.056 1.00 0.00 C ATOM 670 C LEU A 45 -7.726 4.597 2.256 1.00 0.00 C ATOM 671 O LEU A 45 -7.714 4.059 3.364 1.00 0.00 O ATOM 672 CB LEU A 45 -7.324 3.218 0.226 1.00 0.00 C ATOM 673 CG LEU A 45 -7.507 1.700 0.086 1.00 0.00 C ATOM 674 CD1 LEU A 45 -6.295 1.139 -0.663 1.00 0.00 C ATOM 675 CD2 LEU A 45 -7.638 0.985 1.434 1.00 0.00 C ATOM 0 H LEU A 45 -8.771 5.060 -0.693 1.00 0.00 H new ATOM 0 HA LEU A 45 -9.148 3.199 1.415 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -7.301 3.661 -0.769 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -6.355 3.413 0.685 1.00 0.00 H new ATOM 0 HG LEU A 45 -8.436 1.525 -0.457 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -6.403 0.060 -0.774 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -6.230 1.601 -1.648 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -5.387 1.356 -0.100 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -7.765 -0.085 1.268 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -6.739 1.156 2.026 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -8.504 1.374 1.970 1.00 0.00 H new ATOM 687 N ASN A 46 -7.159 5.782 2.032 1.00 0.00 N ATOM 688 CA ASN A 46 -6.468 6.511 3.108 1.00 0.00 C ATOM 689 C ASN A 46 -7.436 7.221 4.066 1.00 0.00 C ATOM 690 O ASN A 46 -7.138 7.377 5.252 1.00 0.00 O ATOM 691 CB ASN A 46 -5.530 7.516 2.427 1.00 0.00 C ATOM 692 CG ASN A 46 -4.564 8.200 3.392 1.00 0.00 C ATOM 693 OD1 ASN A 46 -4.884 9.213 4.012 1.00 0.00 O ATOM 694 ND2 ASN A 46 -3.367 7.659 3.527 1.00 0.00 N ATOM 0 H ASN A 46 -7.161 6.257 1.129 1.00 0.00 H new ATOM 0 HA ASN A 46 -5.916 5.808 3.731 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -4.957 7.001 1.656 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -6.128 8.276 1.925 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -2.684 8.081 4.156 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -3.125 6.819 3.002 1.00 0.00 H new ATOM 701 N ASP A 47 -8.591 7.654 3.562 1.00 0.00 N ATOM 702 CA ASP A 47 -9.586 8.308 4.432 1.00 0.00 C ATOM 703 C ASP A 47 -10.405 7.284 5.235 1.00 0.00 C ATOM 704 O ASP A 47 -10.711 7.535 6.401 1.00 0.00 O ATOM 705 CB ASP A 47 -10.483 9.265 3.628 1.00 0.00 C ATOM 706 CG ASP A 47 -11.139 10.311 4.522 1.00 0.00 C ATOM 707 OD1 ASP A 47 -10.517 11.366 4.774 1.00 0.00 O ATOM 708 OD2 ASP A 47 -12.282 10.086 4.977 1.00 0.00 O ATOM 0 H ASP A 47 -8.863 7.571 2.583 1.00 0.00 H new ATOM 0 HA ASP A 47 -9.042 8.909 5.160 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -9.889 9.763 2.862 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -11.254 8.693 3.112 1.00 0.00 H new ATOM 713 N GLY A 48 -10.733 6.131 4.646 1.00 0.00 N ATOM 714 CA GLY A 48 -11.330 5.046 5.441 1.00 0.00 C ATOM 715 C GLY A 48 -12.667 4.480 4.932 1.00 0.00 C ATOM 716 O GLY A 48 -13.375 3.828 5.700 1.00 0.00 O ATOM 0 H GLY A 48 -10.603 5.924 3.656 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -10.612 4.228 5.496 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -11.478 5.409 6.458 1.00 0.00 H new ATOM 720 N SER A 49 -13.056 4.751 3.691 1.00 0.00 N ATOM 721 CA SER A 49 -14.390 4.338 3.217 1.00 0.00 C ATOM 722 C SER A 49 -14.502 2.846 2.847 1.00 0.00 C ATOM 723 O SER A 49 -15.596 2.284 2.914 1.00 0.00 O ATOM 724 CB SER A 49 -14.768 5.211 2.016 1.00 0.00 C ATOM 725 OG SER A 49 -16.106 4.950 1.617 1.00 0.00 O ATOM 0 H SER A 49 -12.488 5.243 3.002 1.00 0.00 H new ATOM 0 HA SER A 49 -15.082 4.478 4.048 1.00 0.00 H new ATOM 0 HB2 SER A 49 -14.658 6.264 2.274 1.00 0.00 H new ATOM 0 HB3 SER A 49 -14.089 5.013 1.186 1.00 0.00 H new ATOM 0 HG SER A 49 -16.335 5.515 0.850 1.00 0.00 H new ATOM 731 N ILE A 50 -13.402 2.201 2.460 1.00 0.00 N ATOM 732 CA ILE A 50 -13.491 0.847 1.887 1.00 0.00 C ATOM 733 C ILE A 50 -12.800 -0.126 2.840 1.00 0.00 C ATOM 734 O ILE A 50 -11.610 -0.010 3.140 1.00 0.00 O ATOM 735 CB ILE A 50 -12.807 0.761 0.509 1.00 0.00 C ATOM 736 CG1 ILE A 50 -13.121 1.993 -0.351 1.00 0.00 C ATOM 737 CG2 ILE A 50 -13.177 -0.543 -0.212 1.00 0.00 C ATOM 738 CD1 ILE A 50 -12.576 1.844 -1.763 1.00 0.00 C ATOM 0 H ILE A 50 -12.457 2.578 2.528 1.00 0.00 H new ATOM 0 HA ILE A 50 -14.544 0.598 1.756 1.00 0.00 H new ATOM 0 HB ILE A 50 -11.729 0.750 0.673 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -14.200 2.144 -0.391 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -12.692 2.881 0.114 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -12.680 -0.576 -1.182 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -12.857 -1.394 0.389 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -14.257 -0.585 -0.356 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -12.818 2.735 -2.342 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -11.494 1.719 -1.724 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -13.025 0.971 -2.236 1.00 0.00 H new ATOM 750 N THR A 51 -13.578 -1.091 3.311 1.00 0.00 N ATOM 751 CA THR A 51 -13.010 -2.172 4.126 1.00 0.00 C ATOM 752 C THR A 51 -13.417 -3.508 3.515 1.00 0.00 C ATOM 753 O THR A 51 -14.600 -3.847 3.425 1.00 0.00 O ATOM 754 CB THR A 51 -13.455 -2.102 5.597 1.00 0.00 C ATOM 755 OG1 THR A 51 -12.975 -0.898 6.178 1.00 0.00 O ATOM 756 CG2 THR A 51 -12.899 -3.291 6.390 1.00 0.00 C ATOM 0 H THR A 51 -14.583 -1.154 3.151 1.00 0.00 H new ATOM 0 HA THR A 51 -11.925 -2.063 4.126 1.00 0.00 H new ATOM 0 HB THR A 51 -14.544 -2.131 5.630 1.00 0.00 H new ATOM 0 HG1 THR A 51 -13.259 -0.851 7.115 1.00 0.00 H new ATOM 0 HG21 THR A 51 -13.226 -3.221 7.427 1.00 0.00 H new ATOM 0 HG22 THR A 51 -13.265 -4.221 5.956 1.00 0.00 H new ATOM 0 HG23 THR A 51 -11.810 -3.277 6.351 1.00 0.00 H new ATOM 764 N LEU A 52 -12.408 -4.279 3.139 1.00 0.00 N ATOM 765 CA LEU A 52 -12.641 -5.670 2.735 1.00 0.00 C ATOM 766 C LEU A 52 -11.844 -6.592 3.672 1.00 0.00 C ATOM 767 O LEU A 52 -11.350 -6.188 4.725 1.00 0.00 O ATOM 768 CB LEU A 52 -12.239 -5.830 1.258 1.00 0.00 C ATOM 769 CG LEU A 52 -13.081 -4.984 0.290 1.00 0.00 C ATOM 770 CD1 LEU A 52 -12.492 -5.119 -1.108 1.00 0.00 C ATOM 771 CD2 LEU A 52 -14.546 -5.432 0.266 1.00 0.00 C ATOM 0 H LEU A 52 -11.434 -3.979 3.103 1.00 0.00 H new ATOM 0 HA LEU A 52 -13.693 -5.944 2.819 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -11.190 -5.557 1.145 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -12.327 -6.880 0.979 1.00 0.00 H new ATOM 0 HG LEU A 52 -13.057 -3.948 0.628 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -13.078 -4.524 -1.809 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -11.461 -4.764 -1.104 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -12.515 -6.165 -1.413 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -15.106 -4.808 -0.431 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -14.603 -6.473 -0.053 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -14.973 -5.334 1.264 1.00 0.00 H new ATOM 783 N GLU A 53 -11.731 -7.853 3.278 1.00 0.00 N ATOM 784 CA GLU A 53 -11.053 -8.854 4.110 1.00 0.00 C ATOM 785 C GLU A 53 -9.615 -9.058 3.620 1.00 0.00 C ATOM 786 O GLU A 53 -9.211 -8.614 2.542 1.00 0.00 O ATOM 787 CB GLU A 53 -11.841 -10.175 4.055 1.00 0.00 C ATOM 788 CG GLU A 53 -13.257 -10.079 4.643 1.00 0.00 C ATOM 789 CD GLU A 53 -13.249 -9.757 6.133 1.00 0.00 C ATOM 790 OE1 GLU A 53 -13.038 -10.681 6.948 1.00 0.00 O ATOM 791 OE2 GLU A 53 -13.455 -8.578 6.496 1.00 0.00 O ATOM 0 H GLU A 53 -12.095 -8.211 2.395 1.00 0.00 H new ATOM 0 HA GLU A 53 -11.013 -8.508 5.143 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -11.910 -10.503 3.018 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -11.285 -10.941 4.595 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -13.817 -9.309 4.111 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -13.779 -11.022 4.481 1.00 0.00 H new ATOM 798 N ASN A 54 -8.851 -9.783 4.427 1.00 0.00 N ATOM 799 CA ASN A 54 -7.525 -10.245 4.001 1.00 0.00 C ATOM 800 C ASN A 54 -7.677 -11.439 3.055 1.00 0.00 C ATOM 801 O ASN A 54 -7.897 -12.562 3.513 1.00 0.00 O ATOM 802 CB ASN A 54 -6.734 -10.687 5.242 1.00 0.00 C ATOM 803 CG ASN A 54 -6.101 -9.536 6.025 1.00 0.00 C ATOM 804 OD1 ASN A 54 -6.017 -8.396 5.573 1.00 0.00 O ATOM 805 ND2 ASN A 54 -5.636 -9.832 7.226 1.00 0.00 N ATOM 0 H ASN A 54 -9.117 -10.064 5.371 1.00 0.00 H new ATOM 0 HA ASN A 54 -7.002 -9.439 3.487 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -7.399 -11.240 5.905 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -5.948 -11.376 4.932 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -5.198 -9.108 7.796 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -5.715 -10.784 7.583 1.00 0.00 H new ATOM 812 N ALA A 55 -7.625 -11.212 1.739 1.00 0.00 N ATOM 813 CA ALA A 55 -8.052 -12.273 0.823 1.00 0.00 C ATOM 814 C ALA A 55 -7.142 -12.558 -0.383 1.00 0.00 C ATOM 815 O ALA A 55 -5.916 -12.494 -0.304 1.00 0.00 O ATOM 816 CB ALA A 55 -9.474 -11.882 0.425 1.00 0.00 C ATOM 0 H ALA A 55 -7.308 -10.348 1.300 1.00 0.00 H new ATOM 0 HA ALA A 55 -7.994 -13.235 1.331 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -9.876 -12.625 -0.264 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -10.101 -11.836 1.315 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -9.461 -10.906 -0.060 1.00 0.00 H new ATOM 822 N LYS A 56 -7.768 -13.032 -1.462 1.00 0.00 N ATOM 823 CA LYS A 56 -7.036 -13.711 -2.545 1.00 0.00 C ATOM 824 C LYS A 56 -6.744 -12.846 -3.769 1.00 0.00 C ATOM 825 O LYS A 56 -6.675 -13.326 -4.901 1.00 0.00 O ATOM 826 CB LYS A 56 -7.763 -14.988 -2.969 1.00 0.00 C ATOM 827 CG LYS A 56 -7.731 -16.021 -1.849 1.00 0.00 C ATOM 828 CD LYS A 56 -8.015 -17.419 -2.406 1.00 0.00 C ATOM 829 CE LYS A 56 -7.748 -18.530 -1.386 1.00 0.00 C ATOM 830 NZ LYS A 56 -6.314 -18.634 -1.070 1.00 0.00 N ATOM 0 H LYS A 56 -8.774 -12.961 -1.613 1.00 0.00 H new ATOM 0 HA LYS A 56 -6.063 -13.951 -2.117 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -8.796 -14.756 -3.227 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -7.295 -15.399 -3.864 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -6.756 -16.008 -1.361 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -8.471 -15.767 -1.090 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -9.054 -17.472 -2.730 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -7.397 -17.586 -3.288 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -8.310 -18.331 -0.473 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -8.106 -19.481 -1.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -6.132 -19.529 -0.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -5.762 -18.610 -1.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -6.033 -17.837 -0.463 1.00 0.00 H new ATOM 844 N TYR A 57 -6.556 -11.561 -3.534 1.00 0.00 N ATOM 845 CA TYR A 57 -6.470 -10.582 -4.631 1.00 0.00 C ATOM 846 C TYR A 57 -5.046 -10.571 -5.232 1.00 0.00 C ATOM 847 O TYR A 57 -4.611 -9.512 -5.684 1.00 0.00 O ATOM 848 CB TYR A 57 -6.894 -9.140 -4.313 1.00 0.00 C ATOM 849 CG TYR A 57 -8.041 -8.972 -3.321 1.00 0.00 C ATOM 850 CD1 TYR A 57 -9.230 -9.611 -3.512 1.00 0.00 C ATOM 851 CD2 TYR A 57 -7.885 -8.160 -2.239 1.00 0.00 C ATOM 852 CE1 TYR A 57 -10.233 -9.473 -2.607 1.00 0.00 C ATOM 853 CE2 TYR A 57 -8.894 -8.011 -1.342 1.00 0.00 C ATOM 854 CZ TYR A 57 -10.068 -8.671 -1.524 1.00 0.00 C ATOM 855 OH TYR A 57 -11.083 -8.527 -0.617 1.00 0.00 O ATOM 0 H TYR A 57 -6.459 -11.160 -2.601 1.00 0.00 H new ATOM 0 HA TYR A 57 -7.213 -10.938 -5.344 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -6.026 -8.607 -3.925 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -7.176 -8.653 -5.247 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -9.375 -10.229 -4.386 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -6.954 -7.632 -2.093 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -11.164 -10.002 -2.749 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -8.763 -7.368 -0.484 1.00 0.00 H new ATOM 0 HH TYR A 57 -10.733 -8.124 0.205 1.00 0.00 H new ATOM 865 N GLU A 58 -4.264 -11.649 -5.050 1.00 0.00 N ATOM 866 CA GLU A 58 -2.801 -11.677 -5.306 1.00 0.00 C ATOM 867 C GLU A 58 -2.369 -11.395 -6.769 1.00 0.00 C ATOM 868 O GLU A 58 -1.345 -11.878 -7.255 1.00 0.00 O ATOM 869 CB GLU A 58 -2.270 -13.064 -4.872 1.00 0.00 C ATOM 870 CG GLU A 58 -3.121 -14.288 -5.255 1.00 0.00 C ATOM 871 CD GLU A 58 -3.281 -14.470 -6.760 1.00 0.00 C ATOM 872 OE1 GLU A 58 -2.332 -14.953 -7.414 1.00 0.00 O ATOM 873 OE2 GLU A 58 -4.358 -14.130 -7.298 1.00 0.00 O ATOM 0 H GLU A 58 -4.629 -12.541 -4.716 1.00 0.00 H new ATOM 0 HA GLU A 58 -2.373 -10.857 -4.729 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -1.276 -13.195 -5.299 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -2.153 -13.058 -3.788 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -2.664 -15.184 -4.835 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -4.108 -14.191 -4.802 1.00 0.00 H new ATOM 880 N THR A 59 -3.101 -10.502 -7.419 1.00 0.00 N ATOM 881 CA THR A 59 -2.639 -9.862 -8.662 1.00 0.00 C ATOM 882 C THR A 59 -3.160 -8.431 -8.579 1.00 0.00 C ATOM 883 O THR A 59 -4.355 -8.171 -8.458 1.00 0.00 O ATOM 884 CB THR A 59 -3.019 -10.602 -9.959 1.00 0.00 C ATOM 885 OG1 THR A 59 -1.936 -11.434 -10.351 1.00 0.00 O ATOM 886 CG2 THR A 59 -3.390 -9.680 -11.115 1.00 0.00 C ATOM 0 H THR A 59 -4.024 -10.197 -7.111 1.00 0.00 H new ATOM 0 HA THR A 59 -1.552 -9.890 -8.731 1.00 0.00 H new ATOM 0 HB THR A 59 -3.912 -11.185 -9.734 1.00 0.00 H new ATOM 0 HG1 THR A 59 -1.512 -11.816 -9.554 1.00 0.00 H new ATOM 0 HG21 THR A 59 -3.644 -10.278 -11.990 1.00 0.00 H new ATOM 0 HG22 THR A 59 -4.247 -9.068 -10.832 1.00 0.00 H new ATOM 0 HG23 THR A 59 -2.545 -9.034 -11.351 1.00 0.00 H new ATOM 894 N VAL A 60 -2.209 -7.519 -8.511 1.00 0.00 N ATOM 895 CA VAL A 60 -2.500 -6.155 -8.067 1.00 0.00 C ATOM 896 C VAL A 60 -2.157 -5.212 -9.235 1.00 0.00 C ATOM 897 O VAL A 60 -1.101 -5.342 -9.858 1.00 0.00 O ATOM 898 CB VAL A 60 -1.575 -5.941 -6.859 1.00 0.00 C ATOM 899 CG1 VAL A 60 -1.553 -4.515 -6.344 1.00 0.00 C ATOM 900 CG2 VAL A 60 -1.926 -6.855 -5.689 1.00 0.00 C ATOM 0 H VAL A 60 -1.233 -7.689 -8.754 1.00 0.00 H new ATOM 0 HA VAL A 60 -3.538 -5.972 -7.788 1.00 0.00 H new ATOM 0 HB VAL A 60 -0.586 -6.185 -7.246 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -0.877 -4.446 -5.491 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -1.209 -3.848 -7.134 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -2.557 -4.224 -6.035 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -1.243 -6.665 -4.861 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -2.949 -6.659 -5.368 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -1.837 -7.896 -6.001 1.00 0.00 H new ATOM 910 N HIS A 61 -3.036 -4.260 -9.534 1.00 0.00 N ATOM 911 CA HIS A 61 -2.732 -3.233 -10.545 1.00 0.00 C ATOM 912 C HIS A 61 -2.852 -1.837 -9.900 1.00 0.00 C ATOM 913 O HIS A 61 -3.851 -1.558 -9.240 1.00 0.00 O ATOM 914 CB HIS A 61 -3.689 -3.444 -11.748 1.00 0.00 C ATOM 915 CG HIS A 61 -2.989 -4.263 -12.812 1.00 0.00 C ATOM 916 ND1 HIS A 61 -3.033 -5.650 -12.903 1.00 0.00 N ATOM 917 CD2 HIS A 61 -1.996 -3.738 -13.639 1.00 0.00 C ATOM 918 CE1 HIS A 61 -2.041 -5.822 -13.838 1.00 0.00 C ATOM 919 NE2 HIS A 61 -1.407 -4.741 -14.379 1.00 0.00 N ATOM 0 H HIS A 61 -3.955 -4.172 -9.101 1.00 0.00 H new ATOM 0 HA HIS A 61 -1.711 -3.314 -10.918 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -4.596 -3.953 -11.420 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -3.994 -2.481 -12.157 1.00 0.00 H new ATOM 0 HD1 HIS A 61 -3.621 -6.331 -12.423 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -1.727 -2.693 -13.692 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -1.761 -6.818 -14.147 1.00 0.00 H new ATOM 927 N TYR A 62 -1.896 -0.927 -10.135 1.00 0.00 N ATOM 928 CA TYR A 62 -2.070 0.487 -9.727 1.00 0.00 C ATOM 929 C TYR A 62 -2.072 1.348 -10.994 1.00 0.00 C ATOM 930 O TYR A 62 -1.050 1.521 -11.661 1.00 0.00 O ATOM 931 CB TYR A 62 -1.062 0.994 -8.676 1.00 0.00 C ATOM 932 CG TYR A 62 -1.601 1.971 -7.651 1.00 0.00 C ATOM 933 CD1 TYR A 62 -2.388 3.012 -8.030 1.00 0.00 C ATOM 934 CD2 TYR A 62 -1.147 1.899 -6.371 1.00 0.00 C ATOM 935 CE1 TYR A 62 -2.752 3.958 -7.129 1.00 0.00 C ATOM 936 CE2 TYR A 62 -1.494 2.858 -5.472 1.00 0.00 C ATOM 937 CZ TYR A 62 -2.296 3.887 -5.853 1.00 0.00 C ATOM 938 OH TYR A 62 -2.607 4.878 -4.968 1.00 0.00 O ATOM 0 H TYR A 62 -1.009 -1.132 -10.595 1.00 0.00 H new ATOM 0 HA TYR A 62 -3.024 0.565 -9.206 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -0.655 0.132 -8.147 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -0.231 1.469 -9.198 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -2.725 3.086 -9.053 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -0.511 1.080 -6.069 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -3.404 4.766 -7.427 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -1.133 2.802 -4.456 1.00 0.00 H new ATOM 0 HH TYR A 62 -2.944 5.658 -5.456 1.00 0.00 H new ATOM 948 N LEU A 63 -3.237 1.905 -11.304 1.00 0.00 N ATOM 949 CA LEU A 63 -3.353 2.899 -12.354 1.00 0.00 C ATOM 950 C LEU A 63 -3.338 4.321 -11.784 1.00 0.00 C ATOM 951 O LEU A 63 -4.332 4.844 -11.276 1.00 0.00 O ATOM 952 CB LEU A 63 -4.727 2.582 -12.957 1.00 0.00 C ATOM 953 CG LEU A 63 -5.041 3.409 -14.192 1.00 0.00 C ATOM 954 CD1 LEU A 63 -4.049 3.049 -15.293 1.00 0.00 C ATOM 955 CD2 LEU A 63 -6.460 3.040 -14.585 1.00 0.00 C ATOM 0 H LEU A 63 -4.116 1.681 -10.838 1.00 0.00 H new ATOM 0 HA LEU A 63 -2.532 2.862 -13.070 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -4.768 1.524 -13.215 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -5.496 2.757 -12.205 1.00 0.00 H new ATOM 0 HG LEU A 63 -4.960 4.482 -14.016 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -4.266 3.637 -16.185 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -3.036 3.264 -14.954 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -4.136 1.988 -15.528 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -6.750 3.603 -15.472 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -6.512 1.973 -14.800 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -7.138 3.279 -13.766 1.00 0.00 H new ATOM 967 N THR A 64 -2.178 4.948 -11.917 1.00 0.00 N ATOM 968 CA THR A 64 -2.028 6.379 -11.630 1.00 0.00 C ATOM 969 C THR A 64 -1.247 6.904 -12.861 1.00 0.00 C ATOM 970 O THR A 64 -0.462 6.153 -13.445 1.00 0.00 O ATOM 971 CB THR A 64 -1.314 6.527 -10.278 1.00 0.00 C ATOM 972 OG1 THR A 64 -2.012 5.771 -9.302 1.00 0.00 O ATOM 973 CG2 THR A 64 -1.278 7.967 -9.775 1.00 0.00 C ATOM 0 H THR A 64 -1.319 4.491 -12.223 1.00 0.00 H new ATOM 0 HA THR A 64 -2.948 6.952 -11.513 1.00 0.00 H new ATOM 0 HB THR A 64 -0.291 6.182 -10.429 1.00 0.00 H new ATOM 0 HG1 THR A 64 -1.674 4.851 -9.297 1.00 0.00 H new ATOM 0 HG21 THR A 64 -0.761 8.005 -8.816 1.00 0.00 H new ATOM 0 HG22 THR A 64 -0.751 8.591 -10.497 1.00 0.00 H new ATOM 0 HG23 THR A 64 -2.297 8.335 -9.652 1.00 0.00 H new ATOM 981 N PRO A 65 -1.321 8.183 -13.249 1.00 0.00 N ATOM 982 CA PRO A 65 -0.439 8.744 -14.287 1.00 0.00 C ATOM 983 C PRO A 65 1.059 8.463 -14.114 1.00 0.00 C ATOM 984 O PRO A 65 1.645 8.665 -13.049 1.00 0.00 O ATOM 985 CB PRO A 65 -0.745 10.242 -14.171 1.00 0.00 C ATOM 986 CG PRO A 65 -2.194 10.288 -13.690 1.00 0.00 C ATOM 987 CD PRO A 65 -2.306 9.119 -12.715 1.00 0.00 C ATOM 0 HA PRO A 65 -0.633 8.294 -15.261 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -0.075 10.733 -13.465 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -0.626 10.749 -15.129 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -2.421 11.236 -13.202 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -2.892 10.182 -14.520 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -2.073 9.417 -11.693 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -3.309 8.693 -12.703 1.00 0.00 H new ATOM 1104 N PHE A 73 4.278 7.806 -1.533 1.00 0.00 N ATOM 1105 CA PHE A 73 3.250 6.921 -0.952 1.00 0.00 C ATOM 1106 C PHE A 73 3.730 6.562 0.454 1.00 0.00 C ATOM 1107 O PHE A 73 4.934 6.394 0.660 1.00 0.00 O ATOM 1108 CB PHE A 73 3.155 5.695 -1.892 1.00 0.00 C ATOM 1109 CG PHE A 73 2.156 4.580 -1.599 1.00 0.00 C ATOM 1110 CD1 PHE A 73 0.906 4.827 -1.124 1.00 0.00 C ATOM 1111 CD2 PHE A 73 2.506 3.302 -1.922 1.00 0.00 C ATOM 1112 CE1 PHE A 73 0.031 3.806 -0.929 1.00 0.00 C ATOM 1113 CE2 PHE A 73 1.616 2.289 -1.764 1.00 0.00 C ATOM 1114 CZ PHE A 73 0.396 2.532 -1.227 1.00 0.00 C ATOM 0 HA PHE A 73 2.259 7.367 -0.867 1.00 0.00 H new ATOM 0 HB2 PHE A 73 2.937 6.070 -2.892 1.00 0.00 H new ATOM 0 HB3 PHE A 73 4.145 5.240 -1.931 1.00 0.00 H new ATOM 0 HD1 PHE A 73 0.607 5.840 -0.900 1.00 0.00 H new ATOM 0 HD2 PHE A 73 3.494 3.095 -2.305 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -0.955 4.007 -0.537 1.00 0.00 H new ATOM 0 HE2 PHE A 73 1.881 1.287 -2.067 1.00 0.00 H new ATOM 0 HZ PHE A 73 -0.284 1.715 -1.036 1.00 0.00 H new ATOM 1124 N PRO A 74 2.848 6.330 1.435 1.00 0.00 N ATOM 1125 CA PRO A 74 3.328 6.008 2.776 1.00 0.00 C ATOM 1126 C PRO A 74 3.687 4.527 2.873 1.00 0.00 C ATOM 1127 O PRO A 74 3.091 3.676 2.209 1.00 0.00 O ATOM 1128 CB PRO A 74 2.142 6.392 3.660 1.00 0.00 C ATOM 1129 CG PRO A 74 1.273 7.325 2.828 1.00 0.00 C ATOM 1130 CD PRO A 74 1.462 6.816 1.409 1.00 0.00 C ATOM 0 HA PRO A 74 4.240 6.530 3.066 1.00 0.00 H new ATOM 0 HB2 PRO A 74 1.582 5.508 3.965 1.00 0.00 H new ATOM 0 HB3 PRO A 74 2.480 6.885 4.571 1.00 0.00 H new ATOM 0 HG2 PRO A 74 0.228 7.280 3.135 1.00 0.00 H new ATOM 0 HG3 PRO A 74 1.590 8.363 2.927 1.00 0.00 H new ATOM 0 HD2 PRO A 74 0.757 6.022 1.164 1.00 0.00 H new ATOM 0 HD3 PRO A 74 1.321 7.606 0.671 1.00 0.00 H new ATOM 1138 N LYS A 75 4.660 4.212 3.720 1.00 0.00 N ATOM 1139 CA LYS A 75 5.010 2.799 3.945 1.00 0.00 C ATOM 1140 C LYS A 75 3.862 1.969 4.556 1.00 0.00 C ATOM 1141 O LYS A 75 3.691 0.793 4.231 1.00 0.00 O ATOM 1142 CB LYS A 75 6.272 2.687 4.815 1.00 0.00 C ATOM 1143 CG LYS A 75 7.516 3.239 4.109 1.00 0.00 C ATOM 1144 CD LYS A 75 8.772 3.052 4.963 1.00 0.00 C ATOM 1145 CE LYS A 75 10.012 3.576 4.237 1.00 0.00 C ATOM 1146 NZ LYS A 75 11.211 3.381 5.065 1.00 0.00 N ATOM 0 H LYS A 75 5.211 4.886 4.252 1.00 0.00 H new ATOM 0 HA LYS A 75 5.205 2.375 2.960 1.00 0.00 H new ATOM 0 HB2 LYS A 75 6.116 3.228 5.748 1.00 0.00 H new ATOM 0 HB3 LYS A 75 6.439 1.642 5.076 1.00 0.00 H new ATOM 0 HG2 LYS A 75 7.647 2.735 3.152 1.00 0.00 H new ATOM 0 HG3 LYS A 75 7.374 4.298 3.894 1.00 0.00 H new ATOM 0 HD2 LYS A 75 8.653 3.576 5.911 1.00 0.00 H new ATOM 0 HD3 LYS A 75 8.903 1.996 5.197 1.00 0.00 H new ATOM 0 HE2 LYS A 75 10.131 3.057 3.286 1.00 0.00 H new ATOM 0 HE3 LYS A 75 9.888 4.635 4.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 12.045 3.742 4.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 11.101 3.896 5.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 11.337 2.367 5.261 1.00 0.00 H new ATOM 1160 N LYS A 76 3.083 2.575 5.452 1.00 0.00 N ATOM 1161 CA LYS A 76 1.971 1.860 6.109 1.00 0.00 C ATOM 1162 C LYS A 76 0.896 1.352 5.132 1.00 0.00 C ATOM 1163 O LYS A 76 0.322 0.284 5.351 1.00 0.00 O ATOM 1164 CB LYS A 76 1.314 2.771 7.158 1.00 0.00 C ATOM 1165 CG LYS A 76 2.263 3.128 8.310 1.00 0.00 C ATOM 1166 CD LYS A 76 1.564 4.006 9.351 1.00 0.00 C ATOM 1167 CE LYS A 76 2.513 4.366 10.496 1.00 0.00 C ATOM 1168 NZ LYS A 76 1.823 5.207 11.485 1.00 0.00 N ATOM 0 H LYS A 76 3.193 3.547 5.742 1.00 0.00 H new ATOM 0 HA LYS A 76 2.410 0.979 6.577 1.00 0.00 H new ATOM 0 HB2 LYS A 76 0.974 3.687 6.676 1.00 0.00 H new ATOM 0 HB3 LYS A 76 0.430 2.276 7.561 1.00 0.00 H new ATOM 0 HG2 LYS A 76 2.624 2.215 8.784 1.00 0.00 H new ATOM 0 HG3 LYS A 76 3.136 3.650 7.917 1.00 0.00 H new ATOM 0 HD2 LYS A 76 1.200 4.917 8.877 1.00 0.00 H new ATOM 0 HD3 LYS A 76 0.694 3.483 9.747 1.00 0.00 H new ATOM 0 HE2 LYS A 76 2.879 3.457 10.974 1.00 0.00 H new ATOM 0 HE3 LYS A 76 3.383 4.893 10.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 2.479 5.444 12.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 1.495 6.082 11.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 1.007 4.691 11.871 1.00 0.00 H new ATOM 1182 N LEU A 77 0.644 2.070 4.037 1.00 0.00 N ATOM 1183 CA LEU A 77 -0.350 1.576 3.057 1.00 0.00 C ATOM 1184 C LEU A 77 0.241 0.441 2.203 1.00 0.00 C ATOM 1185 O LEU A 77 -0.493 -0.477 1.847 1.00 0.00 O ATOM 1186 CB LEU A 77 -0.940 2.654 2.120 1.00 0.00 C ATOM 1187 CG LEU A 77 -1.981 3.571 2.780 1.00 0.00 C ATOM 1188 CD1 LEU A 77 -1.370 4.487 3.843 1.00 0.00 C ATOM 1189 CD2 LEU A 77 -2.691 4.439 1.734 1.00 0.00 C ATOM 0 H LEU A 77 1.087 2.958 3.803 1.00 0.00 H new ATOM 0 HA LEU A 77 -1.176 1.216 3.670 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -0.126 3.268 1.735 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -1.400 2.161 1.264 1.00 0.00 H new ATOM 0 HG LEU A 77 -2.697 2.909 3.267 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -2.150 5.113 4.276 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -0.914 3.882 4.626 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.610 5.120 3.385 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -3.423 5.079 2.228 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -1.958 5.058 1.217 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -3.198 3.798 1.013 1.00 0.00 H new ATOM 1201 N ILE A 78 1.548 0.417 1.940 1.00 0.00 N ATOM 1202 CA ILE A 78 2.181 -0.752 1.320 1.00 0.00 C ATOM 1203 C ILE A 78 2.115 -1.990 2.247 1.00 0.00 C ATOM 1204 O ILE A 78 1.952 -3.105 1.750 1.00 0.00 O ATOM 1205 CB ILE A 78 3.624 -0.308 0.990 1.00 0.00 C ATOM 1206 CG1 ILE A 78 3.748 0.877 0.026 1.00 0.00 C ATOM 1207 CG2 ILE A 78 4.433 -1.482 0.467 1.00 0.00 C ATOM 1208 CD1 ILE A 78 5.166 1.452 -0.054 1.00 0.00 C ATOM 0 H ILE A 78 2.186 1.186 2.144 1.00 0.00 H new ATOM 0 HA ILE A 78 1.666 -1.071 0.414 1.00 0.00 H new ATOM 0 HB ILE A 78 4.024 0.051 1.939 1.00 0.00 H new ATOM 0 HG12 ILE A 78 3.436 0.560 -0.969 1.00 0.00 H new ATOM 0 HG13 ILE A 78 3.062 1.664 0.340 1.00 0.00 H new ATOM 0 HG21 ILE A 78 5.447 -1.153 0.239 1.00 0.00 H new ATOM 0 HG22 ILE A 78 4.467 -2.266 1.224 1.00 0.00 H new ATOM 0 HG23 ILE A 78 3.966 -1.871 -0.438 1.00 0.00 H new ATOM 0 HD11 ILE A 78 5.181 2.287 -0.754 1.00 0.00 H new ATOM 0 HD12 ILE A 78 5.474 1.800 0.932 1.00 0.00 H new ATOM 0 HD13 ILE A 78 5.853 0.679 -0.397 1.00 0.00 H new ATOM 1220 N SER A 79 2.211 -1.836 3.575 1.00 0.00 N ATOM 1221 CA SER A 79 2.022 -2.988 4.475 1.00 0.00 C ATOM 1222 C SER A 79 0.569 -3.500 4.485 1.00 0.00 C ATOM 1223 O SER A 79 0.337 -4.707 4.509 1.00 0.00 O ATOM 1224 CB SER A 79 2.458 -2.599 5.891 1.00 0.00 C ATOM 1225 OG SER A 79 3.829 -2.230 5.901 1.00 0.00 O ATOM 0 H SER A 79 2.413 -0.952 4.042 1.00 0.00 H new ATOM 0 HA SER A 79 2.639 -3.806 4.102 1.00 0.00 H new ATOM 0 HB2 SER A 79 1.849 -1.770 6.252 1.00 0.00 H new ATOM 0 HB3 SER A 79 2.294 -3.435 6.572 1.00 0.00 H new ATOM 0 HG SER A 79 4.094 -1.982 6.811 1.00 0.00 H new ATOM 1231 N VAL A 80 -0.409 -2.594 4.447 1.00 0.00 N ATOM 1232 CA VAL A 80 -1.826 -2.995 4.327 1.00 0.00 C ATOM 1233 C VAL A 80 -2.124 -3.641 2.958 1.00 0.00 C ATOM 1234 O VAL A 80 -2.894 -4.599 2.877 1.00 0.00 O ATOM 1235 CB VAL A 80 -2.734 -1.775 4.595 1.00 0.00 C ATOM 1236 CG1 VAL A 80 -4.220 -2.094 4.385 1.00 0.00 C ATOM 1237 CG2 VAL A 80 -2.567 -1.265 6.033 1.00 0.00 C ATOM 0 H VAL A 80 -0.257 -1.587 4.496 1.00 0.00 H new ATOM 0 HA VAL A 80 -2.037 -3.757 5.077 1.00 0.00 H new ATOM 0 HB VAL A 80 -2.423 -1.014 3.879 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -4.815 -1.203 4.586 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -4.382 -2.414 3.356 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -4.520 -2.892 5.064 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -3.219 -0.406 6.192 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -2.833 -2.057 6.733 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -1.531 -0.970 6.196 1.00 0.00 H new ATOM 1247 N LEU A 81 -1.511 -3.139 1.885 1.00 0.00 N ATOM 1248 CA LEU A 81 -1.633 -3.755 0.562 1.00 0.00 C ATOM 1249 C LEU A 81 -1.114 -5.207 0.552 1.00 0.00 C ATOM 1250 O LEU A 81 -1.786 -6.107 0.048 1.00 0.00 O ATOM 1251 CB LEU A 81 -0.828 -2.853 -0.396 1.00 0.00 C ATOM 1252 CG LEU A 81 -1.679 -1.949 -1.292 1.00 0.00 C ATOM 1253 CD1 LEU A 81 -2.225 -0.760 -0.501 1.00 0.00 C ATOM 1254 CD2 LEU A 81 -0.796 -1.428 -2.425 1.00 0.00 C ATOM 0 H LEU A 81 -0.924 -2.305 1.906 1.00 0.00 H new ATOM 0 HA LEU A 81 -2.677 -3.826 0.256 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -0.156 -2.229 0.193 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -0.204 -3.484 -1.028 1.00 0.00 H new ATOM 0 HG LEU A 81 -2.520 -2.521 -1.683 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -2.826 -0.131 -1.158 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -2.843 -1.122 0.320 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -1.395 -0.177 -0.101 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -1.384 -0.781 -3.076 1.00 0.00 H new ATOM 0 HD22 LEU A 81 0.037 -0.862 -2.007 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -0.410 -2.269 -3.002 1.00 0.00 H new ATOM 1266 N ALA A 82 0.074 -5.442 1.112 1.00 0.00 N ATOM 1267 CA ALA A 82 0.605 -6.806 1.247 1.00 0.00 C ATOM 1268 C ALA A 82 -0.173 -7.725 2.203 1.00 0.00 C ATOM 1269 O ALA A 82 -0.153 -8.945 2.035 1.00 0.00 O ATOM 1270 CB ALA A 82 2.040 -6.643 1.757 1.00 0.00 C ATOM 0 H ALA A 82 0.686 -4.713 1.478 1.00 0.00 H new ATOM 0 HA ALA A 82 0.527 -7.297 0.277 1.00 0.00 H new ATOM 0 HB1 ALA A 82 2.496 -7.625 1.880 1.00 0.00 H new ATOM 0 HB2 ALA A 82 2.618 -6.062 1.038 1.00 0.00 H new ATOM 0 HB3 ALA A 82 2.029 -6.125 2.716 1.00 0.00 H new ATOM 1276 N ASP A 83 -0.804 -7.169 3.240 1.00 0.00 N ATOM 1277 CA ASP A 83 -1.333 -8.018 4.329 1.00 0.00 C ATOM 1278 C ASP A 83 -2.681 -8.702 4.041 1.00 0.00 C ATOM 1279 O ASP A 83 -3.097 -9.607 4.768 1.00 0.00 O ATOM 1280 CB ASP A 83 -1.368 -7.190 5.623 1.00 0.00 C ATOM 1281 CG ASP A 83 -1.688 -8.019 6.865 1.00 0.00 C ATOM 1282 OD1 ASP A 83 -0.803 -8.764 7.337 1.00 0.00 O ATOM 1283 OD2 ASP A 83 -2.827 -7.927 7.373 1.00 0.00 O ATOM 0 H ASP A 83 -0.962 -6.168 3.355 1.00 0.00 H new ATOM 0 HA ASP A 83 -0.650 -8.861 4.432 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -0.403 -6.702 5.760 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -2.113 -6.401 5.520 1.00 0.00 H new ATOM 1288 N SER A 84 -3.334 -8.323 2.958 1.00 0.00 N ATOM 1289 CA SER A 84 -4.459 -9.109 2.441 1.00 0.00 C ATOM 1290 C SER A 84 -4.023 -10.437 1.815 1.00 0.00 C ATOM 1291 O SER A 84 -4.755 -11.423 1.867 1.00 0.00 O ATOM 1292 CB SER A 84 -5.199 -8.256 1.403 1.00 0.00 C ATOM 1293 OG SER A 84 -4.310 -7.744 0.421 1.00 0.00 O ATOM 0 H SER A 84 -3.114 -7.486 2.418 1.00 0.00 H new ATOM 0 HA SER A 84 -5.109 -9.366 3.278 1.00 0.00 H new ATOM 0 HB2 SER A 84 -5.970 -8.856 0.920 1.00 0.00 H new ATOM 0 HB3 SER A 84 -5.705 -7.430 1.903 1.00 0.00 H new ATOM 0 HG SER A 84 -4.812 -7.206 -0.226 1.00 0.00 H new ATOM 1299 N LEU A 85 -2.869 -10.461 1.162 1.00 0.00 N ATOM 1300 CA LEU A 85 -2.693 -11.402 0.060 1.00 0.00 C ATOM 1301 C LEU A 85 -2.198 -12.788 0.490 1.00 0.00 C ATOM 1302 O LEU A 85 -1.698 -13.012 1.591 1.00 0.00 O ATOM 1303 CB LEU A 85 -1.704 -10.752 -0.932 1.00 0.00 C ATOM 1304 CG LEU A 85 -2.082 -9.343 -1.421 1.00 0.00 C ATOM 1305 CD1 LEU A 85 -0.998 -8.814 -2.364 1.00 0.00 C ATOM 1306 CD2 LEU A 85 -3.435 -9.330 -2.137 1.00 0.00 C ATOM 0 H LEU A 85 -2.067 -9.864 1.364 1.00 0.00 H new ATOM 0 HA LEU A 85 -3.666 -11.589 -0.394 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -0.723 -10.702 -0.459 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -1.606 -11.404 -1.800 1.00 0.00 H new ATOM 0 HG LEU A 85 -2.162 -8.700 -0.544 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -1.270 -7.816 -2.708 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -0.046 -8.769 -1.835 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -0.905 -9.480 -3.222 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -3.663 -8.316 -2.466 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -3.395 -9.992 -3.002 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -4.212 -9.673 -1.453 1.00 0.00 H new ATOM 1318 N LYS A 86 -2.315 -13.681 -0.487 1.00 0.00 N ATOM 1319 CA LYS A 86 -1.682 -15.008 -0.489 1.00 0.00 C ATOM 1320 C LYS A 86 -0.189 -14.779 -0.781 1.00 0.00 C ATOM 1321 O LYS A 86 0.100 -14.280 -1.869 1.00 0.00 O ATOM 1322 CB LYS A 86 -2.353 -15.861 -1.574 1.00 0.00 C ATOM 1323 CG LYS A 86 -1.807 -17.293 -1.617 1.00 0.00 C ATOM 1324 CD LYS A 86 -2.495 -18.107 -2.716 1.00 0.00 C ATOM 1325 CE LYS A 86 -1.943 -19.532 -2.776 1.00 0.00 C ATOM 1326 NZ LYS A 86 -2.615 -20.294 -3.839 1.00 0.00 N ATOM 0 H LYS A 86 -2.867 -13.503 -1.326 1.00 0.00 H new ATOM 0 HA LYS A 86 -1.791 -15.533 0.460 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -3.428 -15.891 -1.395 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -2.204 -15.390 -2.546 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -0.732 -17.271 -1.794 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -1.961 -17.775 -0.651 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -3.569 -18.138 -2.531 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -2.351 -17.617 -3.679 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -0.869 -19.506 -2.961 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -2.089 -20.027 -1.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -2.231 -21.260 -3.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -3.636 -20.333 -3.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -2.454 -19.828 -4.755 1.00 0.00 H new ATOM 1340 N PRO A 87 0.716 -14.817 0.211 1.00 0.00 N ATOM 1341 CA PRO A 87 1.997 -14.085 0.155 1.00 0.00 C ATOM 1342 C PRO A 87 2.930 -14.216 -1.075 1.00 0.00 C ATOM 1343 O PRO A 87 3.822 -13.380 -1.216 1.00 0.00 O ATOM 1344 CB PRO A 87 2.712 -14.670 1.377 1.00 0.00 C ATOM 1345 CG PRO A 87 1.603 -14.932 2.392 1.00 0.00 C ATOM 1346 CD PRO A 87 0.384 -15.313 1.554 1.00 0.00 C ATOM 0 HA PRO A 87 1.774 -13.019 0.109 1.00 0.00 H new ATOM 0 HB2 PRO A 87 3.241 -15.589 1.123 1.00 0.00 H new ATOM 0 HB3 PRO A 87 3.453 -13.975 1.772 1.00 0.00 H new ATOM 0 HG2 PRO A 87 1.877 -15.734 3.078 1.00 0.00 H new ATOM 0 HG3 PRO A 87 1.405 -14.048 2.998 1.00 0.00 H new ATOM 0 HD2 PRO A 87 0.219 -16.390 1.554 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -0.526 -14.852 1.938 1.00 0.00 H new ATOM 1354 N ASN A 88 2.664 -15.095 -2.043 1.00 0.00 N ATOM 1355 CA ASN A 88 3.264 -14.957 -3.389 1.00 0.00 C ATOM 1356 C ASN A 88 2.340 -14.077 -4.258 1.00 0.00 C ATOM 1357 O ASN A 88 1.916 -14.443 -5.354 1.00 0.00 O ATOM 1358 CB ASN A 88 3.503 -16.365 -3.971 1.00 0.00 C ATOM 1359 CG ASN A 88 2.253 -17.249 -4.066 1.00 0.00 C ATOM 1360 OD1 ASN A 88 1.804 -17.839 -3.084 1.00 0.00 O ATOM 1361 ND2 ASN A 88 1.684 -17.363 -5.253 1.00 0.00 N ATOM 0 H ASN A 88 2.048 -15.901 -1.932 1.00 0.00 H new ATOM 0 HA ASN A 88 4.233 -14.459 -3.354 1.00 0.00 H new ATOM 0 HB2 ASN A 88 3.933 -16.262 -4.967 1.00 0.00 H new ATOM 0 HB3 ASN A 88 4.244 -16.875 -3.356 1.00 0.00 H new ATOM 0 HD21 ASN A 88 0.857 -17.949 -5.368 1.00 0.00 H new ATOM 0 HD22 ASN A 88 2.072 -16.865 -6.054 1.00 0.00 H new ATOM 1368 N GLY A 89 2.050 -12.883 -3.748 1.00 0.00 N ATOM 1369 CA GLY A 89 1.235 -11.905 -4.472 1.00 0.00 C ATOM 1370 C GLY A 89 2.125 -11.048 -5.357 1.00 0.00 C ATOM 1371 O GLY A 89 3.333 -10.956 -5.137 1.00 0.00 O ATOM 0 H GLY A 89 2.368 -12.566 -2.832 1.00 0.00 H new ATOM 0 HA2 GLY A 89 0.489 -12.418 -5.079 1.00 0.00 H new ATOM 0 HA3 GLY A 89 0.694 -11.275 -3.766 1.00 0.00 H new ATOM 1375 N SER A 90 1.548 -10.444 -6.386 1.00 0.00 N ATOM 1376 CA SER A 90 2.385 -9.724 -7.337 1.00 0.00 C ATOM 1377 C SER A 90 1.766 -8.339 -7.446 1.00 0.00 C ATOM 1378 O SER A 90 0.582 -8.104 -7.195 1.00 0.00 O ATOM 1379 CB SER A 90 2.380 -10.469 -8.677 1.00 0.00 C ATOM 1380 OG SER A 90 1.064 -10.566 -9.209 1.00 0.00 O ATOM 0 H SER A 90 0.547 -10.435 -6.581 1.00 0.00 H new ATOM 0 HA SER A 90 3.427 -9.651 -7.027 1.00 0.00 H new ATOM 0 HB2 SER A 90 3.024 -9.950 -9.387 1.00 0.00 H new ATOM 0 HB3 SER A 90 2.795 -11.468 -8.542 1.00 0.00 H new ATOM 0 HG SER A 90 1.091 -11.044 -10.064 1.00 0.00 H new ATOM 1386 N LEU A 91 2.608 -7.448 -7.901 1.00 0.00 N ATOM 1387 CA LEU A 91 2.279 -6.037 -7.968 1.00 0.00 C ATOM 1388 C LEU A 91 2.569 -5.601 -9.403 1.00 0.00 C ATOM 1389 O LEU A 91 3.568 -6.036 -9.970 1.00 0.00 O ATOM 1390 CB LEU A 91 3.264 -5.323 -7.023 1.00 0.00 C ATOM 1391 CG LEU A 91 2.767 -3.919 -6.704 1.00 0.00 C ATOM 1392 CD1 LEU A 91 2.302 -3.786 -5.251 1.00 0.00 C ATOM 1393 CD2 LEU A 91 3.855 -2.889 -6.992 1.00 0.00 C ATOM 0 H LEU A 91 3.544 -7.675 -8.237 1.00 0.00 H new ATOM 0 HA LEU A 91 1.247 -5.818 -7.695 1.00 0.00 H new ATOM 0 HB2 LEU A 91 3.374 -5.895 -6.102 1.00 0.00 H new ATOM 0 HB3 LEU A 91 4.250 -5.271 -7.486 1.00 0.00 H new ATOM 0 HG LEU A 91 1.907 -3.732 -7.347 1.00 0.00 H new ATOM 0 HD11 LEU A 91 1.957 -2.768 -5.071 1.00 0.00 H new ATOM 0 HD12 LEU A 91 1.486 -4.484 -5.065 1.00 0.00 H new ATOM 0 HD13 LEU A 91 3.132 -4.011 -4.581 1.00 0.00 H new ATOM 0 HD21 LEU A 91 3.483 -1.892 -6.758 1.00 0.00 H new ATOM 0 HD22 LEU A 91 4.730 -3.103 -6.378 1.00 0.00 H new ATOM 0 HD23 LEU A 91 4.131 -2.936 -8.046 1.00 0.00 H new ATOM 1405 N ILE A 92 1.760 -4.719 -9.983 1.00 0.00 N ATOM 1406 CA ILE A 92 2.135 -4.117 -11.275 1.00 0.00 C ATOM 1407 C ILE A 92 2.002 -2.616 -11.136 1.00 0.00 C ATOM 1408 O ILE A 92 0.923 -2.039 -11.297 1.00 0.00 O ATOM 1409 CB ILE A 92 1.256 -4.618 -12.418 1.00 0.00 C ATOM 1410 CG1 ILE A 92 1.384 -6.129 -12.618 1.00 0.00 C ATOM 1411 CG2 ILE A 92 1.566 -3.884 -13.736 1.00 0.00 C ATOM 1412 CD1 ILE A 92 2.824 -6.486 -12.957 1.00 0.00 C ATOM 0 H ILE A 92 0.867 -4.408 -9.601 1.00 0.00 H new ATOM 0 HA ILE A 92 3.158 -4.401 -11.520 1.00 0.00 H new ATOM 0 HB ILE A 92 0.227 -4.399 -12.134 1.00 0.00 H new ATOM 0 HG12 ILE A 92 1.074 -6.652 -11.713 1.00 0.00 H new ATOM 0 HG13 ILE A 92 0.721 -6.456 -13.419 1.00 0.00 H new ATOM 0 HG21 ILE A 92 0.921 -4.267 -14.526 1.00 0.00 H new ATOM 0 HG22 ILE A 92 1.388 -2.816 -13.608 1.00 0.00 H new ATOM 0 HG23 ILE A 92 2.609 -4.048 -14.007 1.00 0.00 H new ATOM 0 HD11 ILE A 92 2.908 -7.564 -13.098 1.00 0.00 H new ATOM 0 HD12 ILE A 92 3.119 -5.976 -13.874 1.00 0.00 H new ATOM 0 HD13 ILE A 92 3.478 -6.175 -12.142 1.00 0.00 H new ATOM 1424 N GLY A 93 3.094 -2.018 -10.705 1.00 0.00 N ATOM 1425 CA GLY A 93 2.984 -0.635 -10.246 1.00 0.00 C ATOM 1426 C GLY A 93 4.092 0.374 -10.489 1.00 0.00 C ATOM 1427 O GLY A 93 4.018 1.226 -11.376 1.00 0.00 O ATOM 0 H GLY A 93 4.024 -2.434 -10.660 1.00 0.00 H new ATOM 0 HA2 GLY A 93 2.079 -0.224 -10.693 1.00 0.00 H new ATOM 0 HA3 GLY A 93 2.820 -0.671 -9.169 1.00 0.00 H new ATOM 1431 N LEU A 94 5.017 0.405 -9.543 1.00 0.00 N ATOM 1432 CA LEU A 94 5.418 1.686 -8.948 1.00 0.00 C ATOM 1433 C LEU A 94 6.895 1.958 -9.264 1.00 0.00 C ATOM 1434 O LEU A 94 7.704 1.056 -9.482 1.00 0.00 O ATOM 1435 CB LEU A 94 5.267 1.610 -7.424 1.00 0.00 C ATOM 1436 CG LEU A 94 3.876 1.463 -6.779 1.00 0.00 C ATOM 1437 CD1 LEU A 94 3.985 0.470 -5.624 1.00 0.00 C ATOM 1438 CD2 LEU A 94 3.422 2.768 -6.140 1.00 0.00 C ATOM 0 H LEU A 94 5.498 -0.415 -9.173 1.00 0.00 H new ATOM 0 HA LEU A 94 4.790 2.478 -9.355 1.00 0.00 H new ATOM 0 HB2 LEU A 94 5.869 0.768 -7.083 1.00 0.00 H new ATOM 0 HB3 LEU A 94 5.718 2.512 -7.011 1.00 0.00 H new ATOM 0 HG LEU A 94 3.180 1.152 -7.558 1.00 0.00 H new ATOM 0 HD11 LEU A 94 3.009 0.351 -5.153 1.00 0.00 H new ATOM 0 HD12 LEU A 94 4.324 -0.494 -6.004 1.00 0.00 H new ATOM 0 HD13 LEU A 94 4.699 0.843 -4.890 1.00 0.00 H new ATOM 0 HD21 LEU A 94 2.437 2.631 -5.694 1.00 0.00 H new ATOM 0 HD22 LEU A 94 4.133 3.062 -5.368 1.00 0.00 H new ATOM 0 HD23 LEU A 94 3.371 3.547 -6.901 1.00 0.00 H new ATOM 1450 N SER A 95 7.186 3.240 -9.421 1.00 0.00 N ATOM 1451 CA SER A 95 8.384 3.677 -10.156 1.00 0.00 C ATOM 1452 C SER A 95 9.650 3.752 -9.280 1.00 0.00 C ATOM 1453 O SER A 95 9.954 2.816 -8.540 1.00 0.00 O ATOM 1454 CB SER A 95 8.016 4.992 -10.865 1.00 0.00 C ATOM 1455 OG SER A 95 7.716 6.012 -9.918 1.00 0.00 O ATOM 0 H SER A 95 6.616 4.002 -9.054 1.00 0.00 H new ATOM 0 HA SER A 95 8.668 2.933 -10.900 1.00 0.00 H new ATOM 0 HB2 SER A 95 8.842 5.311 -11.500 1.00 0.00 H new ATOM 0 HB3 SER A 95 7.157 4.831 -11.517 1.00 0.00 H new ATOM 0 HG SER A 95 7.486 6.839 -10.390 1.00 0.00 H new ATOM 1461 N ASP A 96 10.443 4.817 -9.431 1.00 0.00 N ATOM 1462 CA ASP A 96 11.866 4.755 -9.056 1.00 0.00 C ATOM 1463 C ASP A 96 12.162 4.831 -7.558 1.00 0.00 C ATOM 1464 O ASP A 96 12.891 3.986 -7.038 1.00 0.00 O ATOM 1465 CB ASP A 96 12.602 5.863 -9.816 1.00 0.00 C ATOM 1466 CG ASP A 96 14.118 5.710 -9.761 1.00 0.00 C ATOM 1467 OD1 ASP A 96 14.669 4.875 -10.511 1.00 0.00 O ATOM 1468 OD2 ASP A 96 14.769 6.424 -8.966 1.00 0.00 O ATOM 0 H ASP A 96 10.136 5.716 -9.802 1.00 0.00 H new ATOM 0 HA ASP A 96 12.221 3.763 -9.335 1.00 0.00 H new ATOM 0 HB2 ASP A 96 12.279 5.860 -10.857 1.00 0.00 H new ATOM 0 HB3 ASP A 96 12.324 6.831 -9.398 1.00 0.00 H new ATOM 1473 N ILE A 97 11.613 5.813 -6.844 1.00 0.00 N ATOM 1474 CA ILE A 97 11.705 5.791 -5.371 1.00 0.00 C ATOM 1475 C ILE A 97 11.155 4.485 -4.750 1.00 0.00 C ATOM 1476 O ILE A 97 11.609 3.939 -3.733 1.00 0.00 O ATOM 1477 CB ILE A 97 10.966 7.044 -4.854 1.00 0.00 C ATOM 1478 CG1 ILE A 97 11.135 7.167 -3.345 1.00 0.00 C ATOM 1479 CG2 ILE A 97 9.459 7.095 -5.158 1.00 0.00 C ATOM 1480 CD1 ILE A 97 12.574 7.538 -2.995 1.00 0.00 C ATOM 0 H ILE A 97 11.115 6.611 -7.237 1.00 0.00 H new ATOM 0 HA ILE A 97 12.751 5.812 -5.066 1.00 0.00 H new ATOM 0 HB ILE A 97 11.428 7.869 -5.396 1.00 0.00 H new ATOM 0 HG12 ILE A 97 10.454 7.925 -2.958 1.00 0.00 H new ATOM 0 HG13 ILE A 97 10.870 6.225 -2.866 1.00 0.00 H new ATOM 0 HG21 ILE A 97 9.037 8.014 -4.752 1.00 0.00 H new ATOM 0 HG22 ILE A 97 9.304 7.070 -6.237 1.00 0.00 H new ATOM 0 HG23 ILE A 97 8.966 6.237 -4.701 1.00 0.00 H new ATOM 0 HD11 ILE A 97 12.675 7.621 -1.913 1.00 0.00 H new ATOM 0 HD12 ILE A 97 13.249 6.766 -3.364 1.00 0.00 H new ATOM 0 HD13 ILE A 97 12.827 8.492 -3.458 1.00 0.00 H new ATOM 1492 N TYR A 98 10.155 3.971 -5.440 1.00 0.00 N ATOM 1493 CA TYR A 98 9.415 2.826 -4.931 1.00 0.00 C ATOM 1494 C TYR A 98 10.207 1.507 -5.107 1.00 0.00 C ATOM 1495 O TYR A 98 9.911 0.517 -4.444 1.00 0.00 O ATOM 1496 CB TYR A 98 7.998 2.812 -5.518 1.00 0.00 C ATOM 1497 CG TYR A 98 7.247 4.125 -5.347 1.00 0.00 C ATOM 1498 CD1 TYR A 98 6.830 4.503 -4.108 1.00 0.00 C ATOM 1499 CD2 TYR A 98 6.958 4.907 -6.420 1.00 0.00 C ATOM 1500 CE1 TYR A 98 6.089 5.629 -3.955 1.00 0.00 C ATOM 1501 CE2 TYR A 98 6.193 6.018 -6.272 1.00 0.00 C ATOM 1502 CZ TYR A 98 5.749 6.374 -5.038 1.00 0.00 C ATOM 1503 OH TYR A 98 4.958 7.478 -4.876 1.00 0.00 O ATOM 0 H TYR A 98 9.837 4.321 -6.344 1.00 0.00 H new ATOM 0 HA TYR A 98 9.292 2.920 -3.852 1.00 0.00 H new ATOM 0 HB2 TYR A 98 8.058 2.574 -6.580 1.00 0.00 H new ATOM 0 HB3 TYR A 98 7.427 2.014 -5.044 1.00 0.00 H new ATOM 0 HD1 TYR A 98 7.089 3.906 -3.246 1.00 0.00 H new ATOM 0 HD2 TYR A 98 7.339 4.643 -7.395 1.00 0.00 H new ATOM 0 HE1 TYR A 98 5.769 5.934 -2.970 1.00 0.00 H new ATOM 0 HE2 TYR A 98 5.938 6.618 -7.133 1.00 0.00 H new ATOM 0 HH TYR A 98 4.735 7.584 -3.928 1.00 0.00 H new ATOM 1513 N LYS A 99 11.262 1.497 -5.930 1.00 0.00 N ATOM 1514 CA LYS A 99 12.170 0.334 -6.040 1.00 0.00 C ATOM 1515 C LYS A 99 12.824 -0.015 -4.691 1.00 0.00 C ATOM 1516 O LYS A 99 12.718 -1.142 -4.206 1.00 0.00 O ATOM 1517 CB LYS A 99 13.285 0.636 -7.058 1.00 0.00 C ATOM 1518 CG LYS A 99 12.760 0.881 -8.476 1.00 0.00 C ATOM 1519 CD LYS A 99 13.866 1.277 -9.460 1.00 0.00 C ATOM 1520 CE LYS A 99 14.843 0.133 -9.738 1.00 0.00 C ATOM 1521 NZ LYS A 99 15.848 0.552 -10.728 1.00 0.00 N ATOM 0 H LYS A 99 11.514 2.280 -6.533 1.00 0.00 H new ATOM 0 HA LYS A 99 11.569 -0.515 -6.365 1.00 0.00 H new ATOM 0 HB2 LYS A 99 13.842 1.513 -6.727 1.00 0.00 H new ATOM 0 HB3 LYS A 99 13.986 -0.198 -7.077 1.00 0.00 H new ATOM 0 HG2 LYS A 99 12.266 -0.021 -8.836 1.00 0.00 H new ATOM 0 HG3 LYS A 99 12.006 1.668 -8.448 1.00 0.00 H new ATOM 0 HD2 LYS A 99 13.414 1.600 -10.398 1.00 0.00 H new ATOM 0 HD3 LYS A 99 14.415 2.130 -9.060 1.00 0.00 H new ATOM 0 HE2 LYS A 99 15.336 -0.167 -8.813 1.00 0.00 H new ATOM 0 HE3 LYS A 99 14.300 -0.737 -10.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 16.506 -0.233 -10.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 15.373 0.816 -11.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 16.377 1.369 -10.362 1.00 0.00 H new ATOM 1535 N VAL A 100 13.503 0.957 -4.076 1.00 0.00 N ATOM 1536 CA VAL A 100 14.091 0.747 -2.738 1.00 0.00 C ATOM 1537 C VAL A 100 13.000 0.522 -1.670 1.00 0.00 C ATOM 1538 O VAL A 100 13.189 -0.273 -0.745 1.00 0.00 O ATOM 1539 CB VAL A 100 15.003 1.937 -2.373 1.00 0.00 C ATOM 1540 CG1 VAL A 100 15.665 1.744 -1.003 1.00 0.00 C ATOM 1541 CG2 VAL A 100 16.117 2.135 -3.410 1.00 0.00 C ATOM 0 H VAL A 100 13.661 1.885 -4.470 1.00 0.00 H new ATOM 0 HA VAL A 100 14.697 -0.158 -2.764 1.00 0.00 H new ATOM 0 HB VAL A 100 14.356 2.814 -2.351 1.00 0.00 H new ATOM 0 HG11 VAL A 100 16.299 2.602 -0.781 1.00 0.00 H new ATOM 0 HG12 VAL A 100 14.895 1.654 -0.236 1.00 0.00 H new ATOM 0 HG13 VAL A 100 16.272 0.838 -1.016 1.00 0.00 H new ATOM 0 HG21 VAL A 100 16.739 2.982 -3.119 1.00 0.00 H new ATOM 0 HG22 VAL A 100 16.730 1.235 -3.461 1.00 0.00 H new ATOM 0 HG23 VAL A 100 15.674 2.329 -4.387 1.00 0.00 H new ATOM 1551 N ASP A 101 11.849 1.187 -1.801 1.00 0.00 N ATOM 1552 CA ASP A 101 10.717 0.873 -0.918 1.00 0.00 C ATOM 1553 C ASP A 101 10.249 -0.591 -1.035 1.00 0.00 C ATOM 1554 O ASP A 101 9.937 -1.230 -0.030 1.00 0.00 O ATOM 1555 CB ASP A 101 9.567 1.787 -1.331 1.00 0.00 C ATOM 1556 CG ASP A 101 9.269 2.886 -0.319 1.00 0.00 C ATOM 1557 OD1 ASP A 101 8.469 2.648 0.611 1.00 0.00 O ATOM 1558 OD2 ASP A 101 9.836 3.993 -0.448 1.00 0.00 O ATOM 0 H ASP A 101 11.676 1.923 -2.485 1.00 0.00 H new ATOM 0 HA ASP A 101 11.030 1.023 0.115 1.00 0.00 H new ATOM 0 HB2 ASP A 101 9.804 2.244 -2.292 1.00 0.00 H new ATOM 0 HB3 ASP A 101 8.670 1.185 -1.477 1.00 0.00 H new ATOM 1563 N ALA A 102 10.200 -1.128 -2.256 1.00 0.00 N ATOM 1564 CA ALA A 102 9.902 -2.551 -2.455 1.00 0.00 C ATOM 1565 C ALA A 102 10.914 -3.447 -1.740 1.00 0.00 C ATOM 1566 O ALA A 102 10.549 -4.429 -1.097 1.00 0.00 O ATOM 1567 CB ALA A 102 9.992 -2.850 -3.946 1.00 0.00 C ATOM 0 H ALA A 102 10.361 -0.605 -3.117 1.00 0.00 H new ATOM 0 HA ALA A 102 8.910 -2.752 -2.052 1.00 0.00 H new ATOM 0 HB1 ALA A 102 9.774 -3.904 -4.120 1.00 0.00 H new ATOM 0 HB2 ALA A 102 9.270 -2.237 -4.484 1.00 0.00 H new ATOM 0 HB3 ALA A 102 10.997 -2.624 -4.302 1.00 0.00 H new ATOM 1573 N LEU A 103 12.194 -3.092 -1.854 1.00 0.00 N ATOM 1574 CA LEU A 103 13.262 -3.870 -1.202 1.00 0.00 C ATOM 1575 C LEU A 103 13.034 -4.033 0.305 1.00 0.00 C ATOM 1576 O LEU A 103 13.147 -5.125 0.862 1.00 0.00 O ATOM 1577 CB LEU A 103 14.602 -3.143 -1.419 1.00 0.00 C ATOM 1578 CG LEU A 103 15.830 -4.063 -1.326 1.00 0.00 C ATOM 1579 CD1 LEU A 103 15.892 -5.045 -2.501 1.00 0.00 C ATOM 1580 CD2 LEU A 103 17.105 -3.218 -1.307 1.00 0.00 C ATOM 0 H LEU A 103 12.520 -2.283 -2.383 1.00 0.00 H new ATOM 0 HA LEU A 103 13.266 -4.865 -1.647 1.00 0.00 H new ATOM 0 HB2 LEU A 103 14.591 -2.666 -2.399 1.00 0.00 H new ATOM 0 HB3 LEU A 103 14.698 -2.349 -0.678 1.00 0.00 H new ATOM 0 HG LEU A 103 15.745 -4.640 -0.405 1.00 0.00 H new ATOM 0 HD11 LEU A 103 16.773 -5.678 -2.400 1.00 0.00 H new ATOM 0 HD12 LEU A 103 14.997 -5.667 -2.503 1.00 0.00 H new ATOM 0 HD13 LEU A 103 15.950 -4.489 -3.437 1.00 0.00 H new ATOM 0 HD21 LEU A 103 17.974 -3.872 -1.241 1.00 0.00 H new ATOM 0 HD22 LEU A 103 17.164 -2.628 -2.221 1.00 0.00 H new ATOM 0 HD23 LEU A 103 17.087 -2.551 -0.445 1.00 0.00 H new ATOM 1592 N ILE A 104 12.756 -2.910 0.954 1.00 0.00 N ATOM 1593 CA ILE A 104 12.728 -2.865 2.422 1.00 0.00 C ATOM 1594 C ILE A 104 11.423 -3.403 3.029 1.00 0.00 C ATOM 1595 O ILE A 104 11.436 -4.043 4.080 1.00 0.00 O ATOM 1596 CB ILE A 104 13.086 -1.418 2.783 1.00 0.00 C ATOM 1597 CG1 ILE A 104 13.779 -1.360 4.155 1.00 0.00 C ATOM 1598 CG2 ILE A 104 11.896 -0.451 2.718 1.00 0.00 C ATOM 1599 CD1 ILE A 104 14.411 0.002 4.444 1.00 0.00 C ATOM 0 H ILE A 104 12.547 -2.022 0.498 1.00 0.00 H new ATOM 0 HA ILE A 104 13.451 -3.547 2.869 1.00 0.00 H new ATOM 0 HB ILE A 104 13.782 -1.074 2.017 1.00 0.00 H new ATOM 0 HG12 ILE A 104 13.052 -1.590 4.934 1.00 0.00 H new ATOM 0 HG13 ILE A 104 14.550 -2.130 4.200 1.00 0.00 H new ATOM 0 HG21 ILE A 104 12.227 0.552 2.986 1.00 0.00 H new ATOM 0 HG22 ILE A 104 11.490 -0.441 1.706 1.00 0.00 H new ATOM 0 HG23 ILE A 104 11.124 -0.777 3.415 1.00 0.00 H new ATOM 0 HD11 ILE A 104 14.885 -0.018 5.425 1.00 0.00 H new ATOM 0 HD12 ILE A 104 15.160 0.224 3.684 1.00 0.00 H new ATOM 0 HD13 ILE A 104 13.639 0.772 4.429 1.00 0.00 H new ATOM 1611 N ASN A 105 10.309 -3.204 2.328 1.00 0.00 N ATOM 1612 CA ASN A 105 9.034 -3.786 2.768 1.00 0.00 C ATOM 1613 C ASN A 105 8.975 -5.309 2.577 1.00 0.00 C ATOM 1614 O ASN A 105 8.150 -5.968 3.211 1.00 0.00 O ATOM 1615 CB ASN A 105 7.879 -3.120 1.996 1.00 0.00 C ATOM 1616 CG ASN A 105 6.559 -3.182 2.766 1.00 0.00 C ATOM 1617 OD1 ASN A 105 6.240 -2.305 3.567 1.00 0.00 O ATOM 1618 ND2 ASN A 105 5.772 -4.219 2.536 1.00 0.00 N ATOM 0 H ASN A 105 10.257 -2.656 1.469 1.00 0.00 H new ATOM 0 HA ASN A 105 8.942 -3.597 3.838 1.00 0.00 H new ATOM 0 HB2 ASN A 105 8.132 -2.079 1.794 1.00 0.00 H new ATOM 0 HB3 ASN A 105 7.758 -3.612 1.031 1.00 0.00 H new ATOM 0 HD21 ASN A 105 4.882 -4.302 3.027 1.00 0.00 H new ATOM 0 HD22 ASN A 105 6.055 -4.936 1.868 1.00 0.00 H new ATOM 1625 N GLY A 106 9.819 -5.881 1.722 1.00 0.00 N ATOM 1626 CA GLY A 106 9.756 -7.332 1.501 1.00 0.00 C ATOM 1627 C GLY A 106 9.089 -7.696 0.173 1.00 0.00 C ATOM 1628 O GLY A 106 8.482 -8.759 0.048 1.00 0.00 O ATOM 0 H GLY A 106 10.532 -5.388 1.186 1.00 0.00 H new ATOM 0 HA2 GLY A 106 10.765 -7.743 1.521 1.00 0.00 H new ATOM 0 HA3 GLY A 106 9.206 -7.797 2.319 1.00 0.00 H new ATOM 1632 N PHE A 107 9.276 -6.853 -0.837 1.00 0.00 N ATOM 1633 CA PHE A 107 8.903 -7.229 -2.205 1.00 0.00 C ATOM 1634 C PHE A 107 10.205 -7.505 -2.968 1.00 0.00 C ATOM 1635 O PHE A 107 11.297 -7.065 -2.599 1.00 0.00 O ATOM 1636 CB PHE A 107 8.083 -6.173 -2.955 1.00 0.00 C ATOM 1637 CG PHE A 107 6.687 -5.900 -2.415 1.00 0.00 C ATOM 1638 CD1 PHE A 107 6.496 -4.969 -1.440 1.00 0.00 C ATOM 1639 CD2 PHE A 107 5.609 -6.527 -2.966 1.00 0.00 C ATOM 1640 CE1 PHE A 107 5.244 -4.709 -0.982 1.00 0.00 C ATOM 1641 CE2 PHE A 107 4.358 -6.262 -2.511 1.00 0.00 C ATOM 1642 CZ PHE A 107 4.175 -5.359 -1.513 1.00 0.00 C ATOM 0 H PHE A 107 9.676 -5.920 -0.743 1.00 0.00 H new ATOM 0 HA PHE A 107 8.254 -8.103 -2.143 1.00 0.00 H new ATOM 0 HB2 PHE A 107 8.642 -5.237 -2.949 1.00 0.00 H new ATOM 0 HB3 PHE A 107 7.993 -6.484 -3.996 1.00 0.00 H new ATOM 0 HD1 PHE A 107 7.341 -4.436 -1.030 1.00 0.00 H new ATOM 0 HD2 PHE A 107 5.751 -7.237 -3.767 1.00 0.00 H new ATOM 0 HE1 PHE A 107 5.098 -3.985 -0.195 1.00 0.00 H new ATOM 0 HE2 PHE A 107 3.508 -6.769 -2.943 1.00 0.00 H new ATOM 0 HZ PHE A 107 3.181 -5.158 -1.142 1.00 0.00 H new ATOM 1652 N GLU A 108 10.065 -8.246 -4.056 1.00 0.00 N ATOM 1653 CA GLU A 108 11.224 -8.667 -4.849 1.00 0.00 C ATOM 1654 C GLU A 108 10.953 -8.228 -6.285 1.00 0.00 C ATOM 1655 O GLU A 108 10.138 -8.816 -6.998 1.00 0.00 O ATOM 1656 CB GLU A 108 11.397 -10.187 -4.723 1.00 0.00 C ATOM 1657 CG GLU A 108 12.654 -10.695 -5.436 1.00 0.00 C ATOM 1658 CD GLU A 108 12.803 -12.202 -5.272 1.00 0.00 C ATOM 1659 OE1 GLU A 108 12.279 -12.955 -6.120 1.00 0.00 O ATOM 1660 OE2 GLU A 108 13.445 -12.642 -4.293 1.00 0.00 O ATOM 0 H GLU A 108 9.167 -8.570 -4.414 1.00 0.00 H new ATOM 0 HA GLU A 108 12.154 -8.215 -4.503 1.00 0.00 H new ATOM 0 HB2 GLU A 108 11.447 -10.458 -3.668 1.00 0.00 H new ATOM 0 HB3 GLU A 108 10.521 -10.685 -5.139 1.00 0.00 H new ATOM 0 HG2 GLU A 108 12.602 -10.444 -6.495 1.00 0.00 H new ATOM 0 HG3 GLU A 108 13.533 -10.193 -5.032 1.00 0.00 H new ATOM 1667 N ILE A 109 11.619 -7.155 -6.694 1.00 0.00 N ATOM 1668 CA ILE A 109 11.273 -6.494 -7.950 1.00 0.00 C ATOM 1669 C ILE A 109 11.789 -7.284 -9.155 1.00 0.00 C ATOM 1670 O ILE A 109 12.871 -7.873 -9.155 1.00 0.00 O ATOM 1671 CB ILE A 109 11.821 -5.064 -7.807 1.00 0.00 C ATOM 1672 CG1 ILE A 109 11.379 -4.044 -8.857 1.00 0.00 C ATOM 1673 CG2 ILE A 109 13.333 -5.067 -7.823 1.00 0.00 C ATOM 1674 CD1 ILE A 109 11.860 -2.644 -8.492 1.00 0.00 C ATOM 0 H ILE A 109 12.392 -6.727 -6.184 1.00 0.00 H new ATOM 0 HA ILE A 109 10.201 -6.449 -8.141 1.00 0.00 H new ATOM 0 HB ILE A 109 11.394 -4.745 -6.856 1.00 0.00 H new ATOM 0 HG12 ILE A 109 11.775 -4.326 -9.833 1.00 0.00 H new ATOM 0 HG13 ILE A 109 10.292 -4.049 -8.940 1.00 0.00 H new ATOM 0 HG21 ILE A 109 13.700 -4.046 -7.721 1.00 0.00 H new ATOM 0 HG22 ILE A 109 13.704 -5.671 -6.995 1.00 0.00 H new ATOM 0 HG23 ILE A 109 13.686 -5.487 -8.765 1.00 0.00 H new ATOM 0 HD11 ILE A 109 11.533 -1.937 -9.254 1.00 0.00 H new ATOM 0 HD12 ILE A 109 11.443 -2.356 -7.527 1.00 0.00 H new ATOM 0 HD13 ILE A 109 12.948 -2.637 -8.434 1.00 0.00 H new ATOM 1686 N ILE A 110 10.945 -7.304 -10.172 1.00 0.00 N ATOM 1687 CA ILE A 110 11.243 -8.028 -11.408 1.00 0.00 C ATOM 1688 C ILE A 110 11.006 -7.052 -12.559 1.00 0.00 C ATOM 1689 O ILE A 110 9.907 -6.519 -12.740 1.00 0.00 O ATOM 1690 CB ILE A 110 10.423 -9.332 -11.543 1.00 0.00 C ATOM 1691 CG1 ILE A 110 8.891 -9.144 -11.544 1.00 0.00 C ATOM 1692 CG2 ILE A 110 10.863 -10.329 -10.460 1.00 0.00 C ATOM 1693 CD1 ILE A 110 8.123 -10.454 -11.744 1.00 0.00 C ATOM 0 H ILE A 110 10.043 -6.827 -10.171 1.00 0.00 H new ATOM 0 HA ILE A 110 12.279 -8.366 -11.413 1.00 0.00 H new ATOM 0 HB ILE A 110 10.643 -9.728 -12.534 1.00 0.00 H new ATOM 0 HG12 ILE A 110 8.586 -8.692 -10.600 1.00 0.00 H new ATOM 0 HG13 ILE A 110 8.618 -8.446 -12.335 1.00 0.00 H new ATOM 0 HG21 ILE A 110 10.285 -11.248 -10.555 1.00 0.00 H new ATOM 0 HG22 ILE A 110 11.923 -10.553 -10.580 1.00 0.00 H new ATOM 0 HG23 ILE A 110 10.694 -9.894 -9.475 1.00 0.00 H new ATOM 0 HD11 ILE A 110 7.052 -10.253 -11.735 1.00 0.00 H new ATOM 0 HD12 ILE A 110 8.401 -10.896 -12.701 1.00 0.00 H new ATOM 0 HD13 ILE A 110 8.369 -11.147 -10.939 1.00 0.00 H new ATOM 1705 N ASN A 111 12.070 -6.788 -13.313 1.00 0.00 N ATOM 1706 CA ASN A 111 11.992 -5.773 -14.372 1.00 0.00 C ATOM 1707 C ASN A 111 11.959 -6.433 -15.749 1.00 0.00 C ATOM 1708 O ASN A 111 12.965 -6.825 -16.341 1.00 0.00 O ATOM 1709 CB ASN A 111 13.096 -4.718 -14.246 1.00 0.00 C ATOM 1710 CG ASN A 111 14.524 -5.260 -14.143 1.00 0.00 C ATOM 1711 OD1 ASN A 111 15.174 -5.560 -15.142 1.00 0.00 O ATOM 1712 ND2 ASN A 111 15.037 -5.379 -12.930 1.00 0.00 N ATOM 0 H ASN A 111 12.976 -7.246 -13.219 1.00 0.00 H new ATOM 0 HA ASN A 111 11.054 -5.231 -14.249 1.00 0.00 H new ATOM 0 HB2 ASN A 111 13.040 -4.055 -15.110 1.00 0.00 H new ATOM 0 HB3 ASN A 111 12.893 -4.110 -13.364 1.00 0.00 H new ATOM 0 HD21 ASN A 111 15.989 -5.725 -12.811 1.00 0.00 H new ATOM 0 HD22 ASN A 111 14.481 -5.125 -12.114 1.00 0.00 H new ATOM 1719 N GLU A 112 10.729 -6.606 -16.197 1.00 0.00 N ATOM 1720 CA GLU A 112 10.426 -7.398 -17.393 1.00 0.00 C ATOM 1721 C GLU A 112 9.430 -6.573 -18.231 1.00 0.00 C ATOM 1722 O GLU A 112 9.003 -5.497 -17.797 1.00 0.00 O ATOM 1723 CB GLU A 112 9.822 -8.740 -16.940 1.00 0.00 C ATOM 1724 CG GLU A 112 10.861 -9.659 -16.286 1.00 0.00 C ATOM 1725 CD GLU A 112 10.250 -11.001 -15.907 1.00 0.00 C ATOM 1726 OE1 GLU A 112 10.071 -11.858 -16.801 1.00 0.00 O ATOM 1727 OE2 GLU A 112 9.947 -11.210 -14.712 1.00 0.00 O ATOM 0 H GLU A 112 9.906 -6.205 -15.748 1.00 0.00 H new ATOM 0 HA GLU A 112 11.309 -7.615 -17.994 1.00 0.00 H new ATOM 0 HB2 GLU A 112 9.013 -8.551 -16.234 1.00 0.00 H new ATOM 0 HB3 GLU A 112 9.383 -9.246 -17.800 1.00 0.00 H new ATOM 0 HG2 GLU A 112 11.694 -9.816 -16.972 1.00 0.00 H new ATOM 0 HG3 GLU A 112 11.267 -9.177 -15.397 1.00 0.00 H new ATOM 1734 N PRO A 113 8.979 -7.039 -19.403 1.00 0.00 N ATOM 1735 CA PRO A 113 7.988 -6.288 -20.195 1.00 0.00 C ATOM 1736 C PRO A 113 6.661 -5.880 -19.524 1.00 0.00 C ATOM 1737 O PRO A 113 5.936 -5.022 -20.027 1.00 0.00 O ATOM 1738 CB PRO A 113 7.795 -7.199 -21.405 1.00 0.00 C ATOM 1739 CG PRO A 113 9.158 -7.866 -21.594 1.00 0.00 C ATOM 1740 CD PRO A 113 9.724 -8.039 -20.181 1.00 0.00 C ATOM 0 HA PRO A 113 8.362 -5.287 -20.409 1.00 0.00 H new ATOM 0 HB2 PRO A 113 7.012 -7.936 -21.227 1.00 0.00 H new ATOM 0 HB3 PRO A 113 7.504 -6.631 -22.289 1.00 0.00 H new ATOM 0 HG2 PRO A 113 9.059 -8.827 -22.098 1.00 0.00 H new ATOM 0 HG3 PRO A 113 9.815 -7.250 -22.208 1.00 0.00 H new ATOM 0 HD2 PRO A 113 9.562 -9.048 -19.802 1.00 0.00 H new ATOM 0 HD3 PRO A 113 10.798 -7.856 -20.151 1.00 0.00 H new ATOM 1748 N ASP A 114 6.394 -6.432 -18.349 1.00 0.00 N ATOM 1749 CA ASP A 114 5.464 -5.811 -17.402 1.00 0.00 C ATOM 1750 C ASP A 114 6.264 -5.605 -16.108 1.00 0.00 C ATOM 1751 O ASP A 114 6.672 -6.570 -15.459 1.00 0.00 O ATOM 1752 CB ASP A 114 4.267 -6.734 -17.158 1.00 0.00 C ATOM 1753 CG ASP A 114 3.315 -6.783 -18.348 1.00 0.00 C ATOM 1754 OD1 ASP A 114 2.432 -5.905 -18.453 1.00 0.00 O ATOM 1755 OD2 ASP A 114 3.443 -7.704 -19.186 1.00 0.00 O ATOM 0 H ASP A 114 6.805 -7.307 -18.024 1.00 0.00 H new ATOM 0 HA ASP A 114 5.069 -4.868 -17.778 1.00 0.00 H new ATOM 0 HB2 ASP A 114 4.626 -7.740 -16.943 1.00 0.00 H new ATOM 0 HB3 ASP A 114 3.724 -6.394 -16.276 1.00 0.00 H new ATOM 1760 N TYR A 115 6.543 -4.351 -15.753 1.00 0.00 N ATOM 1761 CA TYR A 115 7.483 -4.079 -14.656 1.00 0.00 C ATOM 1762 C TYR A 115 6.714 -4.032 -13.333 1.00 0.00 C ATOM 1763 O TYR A 115 5.839 -3.173 -13.193 1.00 0.00 O ATOM 1764 CB TYR A 115 8.175 -2.740 -14.954 1.00 0.00 C ATOM 1765 CG TYR A 115 8.774 -2.056 -13.732 1.00 0.00 C ATOM 1766 CD1 TYR A 115 9.844 -2.586 -13.080 1.00 0.00 C ATOM 1767 CD2 TYR A 115 8.180 -0.931 -13.252 1.00 0.00 C ATOM 1768 CE1 TYR A 115 10.377 -1.937 -12.011 1.00 0.00 C ATOM 1769 CE2 TYR A 115 8.715 -0.280 -12.188 1.00 0.00 C ATOM 1770 CZ TYR A 115 9.828 -0.768 -11.582 1.00 0.00 C ATOM 1771 OH TYR A 115 10.348 -0.118 -10.494 1.00 0.00 O ATOM 0 H TYR A 115 6.145 -3.522 -16.194 1.00 0.00 H new ATOM 0 HA TYR A 115 8.237 -4.861 -14.573 1.00 0.00 H new ATOM 0 HB2 TYR A 115 8.966 -2.908 -15.685 1.00 0.00 H new ATOM 0 HB3 TYR A 115 7.453 -2.066 -15.415 1.00 0.00 H new ATOM 0 HD1 TYR A 115 10.270 -3.522 -13.411 1.00 0.00 H new ATOM 0 HD2 TYR A 115 7.281 -0.555 -13.718 1.00 0.00 H new ATOM 0 HE1 TYR A 115 11.236 -2.349 -11.502 1.00 0.00 H new ATOM 0 HE2 TYR A 115 8.255 0.627 -11.823 1.00 0.00 H new ATOM 0 HH TYR A 115 9.629 0.342 -10.013 1.00 0.00 H new ATOM 1781 N CYS A 116 6.909 -5.028 -12.457 1.00 0.00 N ATOM 1782 CA CYS A 116 6.370 -4.953 -11.078 1.00 0.00 C ATOM 1783 C CYS A 116 7.250 -5.668 -10.029 1.00 0.00 C ATOM 1784 O CYS A 116 8.450 -5.885 -10.201 1.00 0.00 O ATOM 1785 CB CYS A 116 4.948 -5.564 -11.058 1.00 0.00 C ATOM 1786 SG CYS A 116 4.946 -7.289 -11.621 1.00 0.00 S ATOM 0 H CYS A 116 7.425 -5.883 -12.666 1.00 0.00 H new ATOM 0 HA CYS A 116 6.353 -3.899 -10.802 1.00 0.00 H new ATOM 0 HB2 CYS A 116 4.544 -5.511 -10.047 1.00 0.00 H new ATOM 0 HB3 CYS A 116 4.290 -4.973 -11.695 1.00 0.00 H new ATOM 0 HG CYS A 116 3.850 -7.871 -11.233 1.00 0.00 H new ATOM 1792 N TRP A 117 6.580 -6.032 -8.923 1.00 0.00 N ATOM 1793 CA TRP A 117 7.212 -6.546 -7.691 1.00 0.00 C ATOM 1794 C TRP A 117 6.385 -7.733 -7.174 1.00 0.00 C ATOM 1795 O TRP A 117 5.180 -7.586 -6.988 1.00 0.00 O ATOM 1796 CB TRP A 117 7.117 -5.537 -6.535 1.00 0.00 C ATOM 1797 CG TRP A 117 7.552 -4.127 -6.822 1.00 0.00 C ATOM 1798 CD1 TRP A 117 8.232 -3.657 -7.933 1.00 0.00 C ATOM 1799 CD2 TRP A 117 7.327 -3.038 -6.040 1.00 0.00 C ATOM 1800 NE1 TRP A 117 8.428 -2.290 -7.882 1.00 0.00 N ATOM 1801 CE2 TRP A 117 7.855 -1.934 -6.669 1.00 0.00 C ATOM 1802 CE3 TRP A 117 6.746 -2.952 -4.814 1.00 0.00 C ATOM 1803 CZ2 TRP A 117 7.907 -0.745 -6.018 1.00 0.00 C ATOM 1804 CZ3 TRP A 117 6.704 -1.738 -4.215 1.00 0.00 C ATOM 1805 CH2 TRP A 117 7.335 -0.671 -4.776 1.00 0.00 C ATOM 0 H TRP A 117 5.564 -5.977 -8.856 1.00 0.00 H new ATOM 0 HA TRP A 117 8.246 -6.779 -7.947 1.00 0.00 H new ATOM 0 HB2 TRP A 117 6.082 -5.509 -6.194 1.00 0.00 H new ATOM 0 HB3 TRP A 117 7.716 -5.914 -5.706 1.00 0.00 H new ATOM 0 HD1 TRP A 117 8.570 -4.285 -8.744 1.00 0.00 H new ATOM 0 HE1 TRP A 117 8.883 -1.689 -8.569 1.00 0.00 H new ATOM 0 HE3 TRP A 117 6.331 -3.825 -4.332 1.00 0.00 H new ATOM 0 HZ2 TRP A 117 8.384 0.115 -6.465 1.00 0.00 H new ATOM 0 HZ3 TRP A 117 6.166 -1.616 -3.286 1.00 0.00 H new ATOM 0 HH2 TRP A 117 7.386 0.258 -4.228 1.00 0.00 H new ATOM 1816 N ILE A 118 6.976 -8.876 -6.855 1.00 0.00 N ATOM 1817 CA ILE A 118 6.233 -9.890 -6.078 1.00 0.00 C ATOM 1818 C ILE A 118 6.853 -10.050 -4.679 1.00 0.00 C ATOM 1819 O ILE A 118 8.067 -10.042 -4.486 1.00 0.00 O ATOM 1820 CB ILE A 118 6.089 -11.212 -6.864 1.00 0.00 C ATOM 1821 CG1 ILE A 118 5.742 -12.448 -6.018 1.00 0.00 C ATOM 1822 CG2 ILE A 118 7.336 -11.597 -7.643 1.00 0.00 C ATOM 1823 CD1 ILE A 118 4.743 -13.305 -6.785 1.00 0.00 C ATOM 0 H ILE A 118 7.932 -9.130 -7.105 1.00 0.00 H new ATOM 0 HA ILE A 118 5.211 -9.546 -5.920 1.00 0.00 H new ATOM 0 HB ILE A 118 5.257 -10.968 -7.525 1.00 0.00 H new ATOM 0 HG12 ILE A 118 6.643 -13.022 -5.801 1.00 0.00 H new ATOM 0 HG13 ILE A 118 5.320 -12.143 -5.060 1.00 0.00 H new ATOM 0 HG21 ILE A 118 7.161 -12.535 -8.170 1.00 0.00 H new ATOM 0 HG22 ILE A 118 7.570 -10.814 -8.364 1.00 0.00 H new ATOM 0 HG23 ILE A 118 8.172 -11.718 -6.954 1.00 0.00 H new ATOM 0 HD11 ILE A 118 4.490 -14.185 -6.194 1.00 0.00 H new ATOM 0 HD12 ILE A 118 3.840 -12.726 -6.979 1.00 0.00 H new ATOM 0 HD13 ILE A 118 5.184 -13.618 -7.732 1.00 0.00 H new ATOM 1835 N LYS A 119 5.967 -10.290 -3.719 1.00 0.00 N ATOM 1836 CA LYS A 119 6.359 -10.489 -2.314 1.00 0.00 C ATOM 1837 C LYS A 119 6.867 -11.923 -2.126 1.00 0.00 C ATOM 1838 O LYS A 119 6.132 -12.897 -2.280 1.00 0.00 O ATOM 1839 CB LYS A 119 5.141 -10.172 -1.429 1.00 0.00 C ATOM 1840 CG LYS A 119 5.415 -10.010 0.073 1.00 0.00 C ATOM 1841 CD LYS A 119 5.796 -11.306 0.801 1.00 0.00 C ATOM 1842 CE LYS A 119 5.936 -11.101 2.315 1.00 0.00 C ATOM 1843 NZ LYS A 119 4.638 -10.792 2.939 1.00 0.00 N ATOM 0 H LYS A 119 4.962 -10.353 -3.883 1.00 0.00 H new ATOM 0 HA LYS A 119 7.173 -9.823 -2.027 1.00 0.00 H new ATOM 0 HB2 LYS A 119 4.683 -9.253 -1.794 1.00 0.00 H new ATOM 0 HB3 LYS A 119 4.407 -10.968 -1.559 1.00 0.00 H new ATOM 0 HG2 LYS A 119 6.219 -9.286 0.205 1.00 0.00 H new ATOM 0 HG3 LYS A 119 4.527 -9.591 0.547 1.00 0.00 H new ATOM 0 HD2 LYS A 119 5.038 -12.065 0.608 1.00 0.00 H new ATOM 0 HD3 LYS A 119 6.736 -11.684 0.399 1.00 0.00 H new ATOM 0 HE2 LYS A 119 6.354 -12.000 2.768 1.00 0.00 H new ATOM 0 HE3 LYS A 119 6.637 -10.290 2.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 4.721 -10.876 3.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 4.356 -9.822 2.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 3.919 -11.460 2.594 1.00 0.00 H new ATOM 1857 N MET A 120 8.170 -12.035 -1.893 1.00 0.00 N ATOM 1858 CA MET A 120 8.833 -13.347 -1.902 1.00 0.00 C ATOM 1859 C MET A 120 9.321 -13.678 -0.490 1.00 0.00 C ATOM 1860 O MET A 120 8.772 -14.542 0.193 1.00 0.00 O ATOM 1861 CB MET A 120 9.941 -13.344 -2.971 1.00 0.00 C ATOM 1862 CG MET A 120 10.596 -14.717 -3.146 1.00 0.00 C ATOM 1863 SD MET A 120 9.364 -15.920 -3.674 1.00 0.00 S ATOM 1864 CE MET A 120 10.405 -17.385 -3.778 1.00 0.00 C ATOM 0 H MET A 120 8.788 -11.247 -1.697 1.00 0.00 H new ATOM 0 HA MET A 120 8.142 -14.144 -2.178 1.00 0.00 H new ATOM 0 HB2 MET A 120 9.520 -13.022 -3.924 1.00 0.00 H new ATOM 0 HB3 MET A 120 10.703 -12.615 -2.697 1.00 0.00 H new ATOM 0 HG2 MET A 120 11.397 -14.656 -3.883 1.00 0.00 H new ATOM 0 HG3 MET A 120 11.050 -15.036 -2.207 1.00 0.00 H new ATOM 0 HE1 MET A 120 9.803 -18.237 -4.094 1.00 0.00 H new ATOM 0 HE2 MET A 120 11.202 -17.214 -4.502 1.00 0.00 H new ATOM 0 HE3 MET A 120 10.841 -17.592 -2.801 1.00 0.00 H new