USER MOD reduce.3.24.130724 H: found=0, std=0, add=817, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 817 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 47 TYR OH : rot 149:sc= 1.39 USER MOD Set 1.2: A 101 TYR OH : rot -126:sc= 0.369 USER MOD Set 2.1: A 26 SER OG : rot -57:sc= 0.346 USER MOD Set 2.2: A 44 LYS NZ :NH3+ -158:sc= 0.244 (180deg=0) USER MOD Set 3.1: A 13 THR OG1 : rot -55:sc= -0.572 USER MOD Set 3.2: A 16 GLN : amide:sc= -4.21! C(o=-4.8!,f=-6.8!) USER MOD Single : A 1 MET CE :methyl -168:sc= 0 (180deg=-0.0778) USER MOD Single : A 1 MET N :NH3+ 165:sc= 2.35 (180deg=1.81) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=-0.0052) USER MOD Single : A 4 HIS : no HD1:sc= 0.639 K(o=0.64,f=-4.6!) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 HIS : no HD1:sc= 0.094 K(o=0.094,f=-1.6) USER MOD Single : A 7 HIS : no HD1:sc=-0.00385 X(o=-0.0038,f=-0.0038) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 18 SER OG : rot -25:sc= 0.256 USER MOD Single : A 19 GLN : amide:sc= -0.125 X(o=-0.12,f=-0.41) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -2.49! C(o=-2.5!,f=-11!) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -167:sc= -0.0407 (180deg=-0.218) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 119:sc= 1.74 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= -0.289 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 51:sc= -0.265 USER MOD Single : A 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 94:sc= 2.28 USER MOD Single : A 67 LYS NZ :NH3+ 131:sc= 1.08 (180deg=0.765) USER MOD Single : A 68 MET CE :methyl 154:sc= -0.271 (180deg=-1.08) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.013) USER MOD Single : A 71 ASN : amide:sc= -3.97! C(o=-4!,f=-4.2!) USER MOD Single : A 76 SER OG : rot 180:sc= -0.352 USER MOD Single : A 78 SER OG : rot -128:sc= 1.24 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0.0706 USER MOD Single : A 85 LYS NZ :NH3+ 161:sc= -0.717 (180deg=-2.16!) USER MOD Single : A 88 ASN : amide:sc= 1.21 K(o=1.2,f=-0.071) USER MOD Single : A 89 THR OG1 : rot 62:sc= 1.06 USER MOD Single : A 91 ASN : amide:sc= -1.8 K(o=-1.8,f=-0.0061) USER MOD Single : A 95 THR OG1 : rot -28:sc= 0.168 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ -161:sc= -0.106 (180deg=-0.468) USER MOD Single : A 109 SER OG : rot 44:sc= 0.712 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -13.602 -10.235 4.577 1.00 0.00 N ATOM 2 CA MET A 1 -13.511 -10.409 3.145 1.00 0.00 C ATOM 3 C MET A 1 -14.777 -9.896 2.518 1.00 0.00 C ATOM 4 O MET A 1 -15.839 -10.533 2.614 1.00 0.00 O ATOM 5 CB MET A 1 -13.286 -11.885 2.748 1.00 0.00 C ATOM 6 CG MET A 1 -12.018 -12.536 3.312 1.00 0.00 C ATOM 7 SD MET A 1 -12.030 -12.684 5.116 1.00 0.00 S ATOM 8 CE MET A 1 -10.466 -13.502 5.396 1.00 0.00 C ATOM 0 H1 MET A 1 -12.866 -10.803 5.043 1.00 0.00 H new ATOM 0 H2 MET A 1 -13.467 -9.231 4.814 1.00 0.00 H new ATOM 0 H3 MET A 1 -14.539 -10.545 4.906 1.00 0.00 H new ATOM 0 HA MET A 1 -12.648 -9.848 2.785 1.00 0.00 H new ATOM 0 HB2 MET A 1 -14.148 -12.466 3.076 1.00 0.00 H new ATOM 0 HB3 MET A 1 -13.253 -11.949 1.660 1.00 0.00 H new ATOM 0 HG2 MET A 1 -11.901 -13.527 2.874 1.00 0.00 H new ATOM 0 HG3 MET A 1 -11.151 -11.949 3.008 1.00 0.00 H new ATOM 0 HE1 MET A 1 -10.419 -13.854 6.426 1.00 0.00 H new ATOM 0 HE2 MET A 1 -10.373 -14.350 4.718 1.00 0.00 H new ATOM 0 HE3 MET A 1 -9.651 -12.801 5.215 1.00 0.00 H new ATOM 20 N GLY A 2 -14.698 -8.735 1.929 1.00 0.00 N ATOM 21 CA GLY A 2 -15.848 -8.168 1.286 1.00 0.00 C ATOM 22 C GLY A 2 -16.718 -7.379 2.240 1.00 0.00 C ATOM 23 O GLY A 2 -17.892 -7.153 1.967 1.00 0.00 O ATOM 0 H GLY A 2 -13.853 -8.166 1.881 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -15.522 -7.517 0.475 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -16.439 -8.966 0.837 1.00 0.00 H new ATOM 27 N HIS A 3 -16.164 -6.983 3.373 1.00 0.00 N ATOM 28 CA HIS A 3 -16.892 -6.140 4.309 1.00 0.00 C ATOM 29 C HIS A 3 -16.174 -4.829 4.408 1.00 0.00 C ATOM 30 O HIS A 3 -15.327 -4.649 5.259 1.00 0.00 O ATOM 31 CB HIS A 3 -17.042 -6.766 5.717 1.00 0.00 C ATOM 32 CG HIS A 3 -17.839 -8.041 5.776 1.00 0.00 C ATOM 33 ND1 HIS A 3 -19.122 -8.104 6.266 1.00 0.00 N ATOM 34 CD2 HIS A 3 -17.514 -9.308 5.441 1.00 0.00 C ATOM 35 CE1 HIS A 3 -19.548 -9.345 6.229 1.00 0.00 C ATOM 36 NE2 HIS A 3 -18.592 -10.095 5.734 1.00 0.00 N ATOM 0 H HIS A 3 -15.219 -7.229 3.667 1.00 0.00 H new ATOM 0 HA HIS A 3 -17.905 -6.015 3.928 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -16.047 -6.961 6.117 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -17.512 -6.033 6.373 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -16.576 -9.638 5.020 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -20.519 -9.690 6.551 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -18.645 -11.104 5.591 1.00 0.00 H new ATOM 45 N HIS A 4 -16.483 -3.932 3.509 1.00 0.00 N ATOM 46 CA HIS A 4 -15.765 -2.680 3.413 1.00 0.00 C ATOM 47 C HIS A 4 -16.011 -1.770 4.603 1.00 0.00 C ATOM 48 O HIS A 4 -15.068 -1.287 5.217 1.00 0.00 O ATOM 49 CB HIS A 4 -16.067 -1.959 2.083 1.00 0.00 C ATOM 50 CG HIS A 4 -15.349 -0.638 1.923 1.00 0.00 C ATOM 51 ND1 HIS A 4 -16.006 0.565 1.833 1.00 0.00 N ATOM 52 CD2 HIS A 4 -14.032 -0.345 1.823 1.00 0.00 C ATOM 53 CE1 HIS A 4 -15.138 1.529 1.687 1.00 0.00 C ATOM 54 NE2 HIS A 4 -13.935 1.009 1.678 1.00 0.00 N ATOM 0 H HIS A 4 -17.232 -4.043 2.826 1.00 0.00 H new ATOM 0 HA HIS A 4 -14.704 -2.930 3.428 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -15.791 -2.613 1.256 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -17.141 -1.788 2.010 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -13.213 -1.049 1.852 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -15.372 2.579 1.590 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -13.065 1.532 1.579 1.00 0.00 H new ATOM 63 N HIS A 5 -17.247 -1.548 4.938 1.00 0.00 N ATOM 64 CA HIS A 5 -17.545 -0.618 5.992 1.00 0.00 C ATOM 65 C HIS A 5 -17.663 -1.316 7.339 1.00 0.00 C ATOM 66 O HIS A 5 -18.576 -2.109 7.568 1.00 0.00 O ATOM 67 CB HIS A 5 -18.812 0.205 5.683 1.00 0.00 C ATOM 68 CG HIS A 5 -19.107 1.274 6.709 1.00 0.00 C ATOM 69 ND1 HIS A 5 -20.060 1.141 7.689 1.00 0.00 N ATOM 70 CD2 HIS A 5 -18.555 2.493 6.899 1.00 0.00 C ATOM 71 CE1 HIS A 5 -20.078 2.221 8.436 1.00 0.00 C ATOM 72 NE2 HIS A 5 -19.175 3.056 7.978 1.00 0.00 N ATOM 0 H HIS A 5 -18.058 -1.990 4.505 1.00 0.00 H new ATOM 0 HA HIS A 5 -16.706 0.076 6.051 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -18.701 0.673 4.705 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -19.666 -0.469 5.618 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -17.769 2.939 6.307 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -20.726 2.393 9.283 1.00 0.00 H new ATOM 0 HE2 HIS A 5 -18.969 3.977 8.365 1.00 0.00 H new ATOM 81 N HIS A 6 -16.724 -1.030 8.201 1.00 0.00 N ATOM 82 CA HIS A 6 -16.753 -1.502 9.576 1.00 0.00 C ATOM 83 C HIS A 6 -17.046 -0.316 10.468 1.00 0.00 C ATOM 84 O HIS A 6 -17.422 0.749 9.975 1.00 0.00 O ATOM 85 CB HIS A 6 -15.421 -2.163 10.006 1.00 0.00 C ATOM 86 CG HIS A 6 -15.128 -3.491 9.377 1.00 0.00 C ATOM 87 ND1 HIS A 6 -15.502 -4.684 9.947 1.00 0.00 N ATOM 88 CD2 HIS A 6 -14.468 -3.817 8.250 1.00 0.00 C ATOM 89 CE1 HIS A 6 -15.086 -5.685 9.203 1.00 0.00 C ATOM 90 NE2 HIS A 6 -14.455 -5.195 8.165 1.00 0.00 N ATOM 0 H HIS A 6 -15.909 -0.460 7.976 1.00 0.00 H new ATOM 0 HA HIS A 6 -17.524 -2.267 9.664 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -14.604 -1.481 9.770 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -15.430 -2.287 11.089 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -14.030 -3.128 7.543 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -15.239 -6.733 9.412 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -14.025 -5.741 7.418 1.00 0.00 H new ATOM 99 N HIS A 7 -16.900 -0.478 11.750 1.00 0.00 N ATOM 100 CA HIS A 7 -17.114 0.623 12.652 1.00 0.00 C ATOM 101 C HIS A 7 -15.818 0.944 13.394 1.00 0.00 C ATOM 102 O HIS A 7 -15.679 0.674 14.588 1.00 0.00 O ATOM 103 CB HIS A 7 -18.289 0.346 13.613 1.00 0.00 C ATOM 104 CG HIS A 7 -18.651 1.486 14.531 1.00 0.00 C ATOM 105 ND1 HIS A 7 -18.427 1.458 15.885 1.00 0.00 N ATOM 106 CD2 HIS A 7 -19.255 2.672 14.281 1.00 0.00 C ATOM 107 CE1 HIS A 7 -18.873 2.571 16.429 1.00 0.00 C ATOM 108 NE2 HIS A 7 -19.380 3.327 15.480 1.00 0.00 N ATOM 0 H HIS A 7 -16.635 -1.356 12.196 1.00 0.00 H new ATOM 0 HA HIS A 7 -17.396 1.503 12.074 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -19.167 0.084 13.022 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -18.043 -0.525 14.221 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -19.578 3.035 13.317 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -18.830 2.821 17.479 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -19.797 4.248 15.613 1.00 0.00 H new ATOM 117 N HIS A 8 -14.852 1.450 12.631 1.00 0.00 N ATOM 118 CA HIS A 8 -13.534 1.865 13.123 1.00 0.00 C ATOM 119 C HIS A 8 -12.688 2.310 11.936 1.00 0.00 C ATOM 120 O HIS A 8 -12.074 3.381 11.958 1.00 0.00 O ATOM 121 CB HIS A 8 -12.803 0.728 13.877 1.00 0.00 C ATOM 122 CG HIS A 8 -11.491 1.153 14.473 1.00 0.00 C ATOM 123 ND1 HIS A 8 -10.284 0.608 14.110 1.00 0.00 N ATOM 124 CD2 HIS A 8 -11.213 2.075 15.424 1.00 0.00 C ATOM 125 CE1 HIS A 8 -9.320 1.176 14.806 1.00 0.00 C ATOM 126 NE2 HIS A 8 -9.857 2.068 15.609 1.00 0.00 N ATOM 0 H HIS A 8 -14.964 1.588 11.627 1.00 0.00 H new ATOM 0 HA HIS A 8 -13.679 2.682 13.829 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -13.450 0.354 14.671 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -12.630 -0.101 13.190 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -11.927 2.699 15.940 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -8.267 0.948 14.730 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -9.346 2.659 16.264 1.00 0.00 H new ATOM 135 N LEU A 9 -12.658 1.471 10.915 1.00 0.00 N ATOM 136 CA LEU A 9 -11.939 1.731 9.687 1.00 0.00 C ATOM 137 C LEU A 9 -12.504 0.885 8.558 1.00 0.00 C ATOM 138 O LEU A 9 -13.341 0.003 8.808 1.00 0.00 O ATOM 139 CB LEU A 9 -10.406 1.566 9.867 1.00 0.00 C ATOM 140 CG LEU A 9 -9.858 0.244 10.451 1.00 0.00 C ATOM 141 CD1 LEU A 9 -10.072 -0.947 9.526 1.00 0.00 C ATOM 142 CD2 LEU A 9 -8.397 0.411 10.774 1.00 0.00 C ATOM 0 H LEU A 9 -13.143 0.574 10.920 1.00 0.00 H new ATOM 0 HA LEU A 9 -12.086 2.775 9.412 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -9.943 1.712 8.891 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -10.061 2.377 10.508 1.00 0.00 H new ATOM 0 HG LEU A 9 -10.419 0.027 11.360 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -9.667 -1.846 9.990 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -11.139 -1.081 9.346 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -9.564 -0.768 8.578 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -8.007 -0.520 11.186 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -7.850 0.663 9.865 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -8.275 1.211 11.504 1.00 0.00 H new ATOM 154 N GLU A 10 -12.061 1.125 7.344 1.00 0.00 N ATOM 155 CA GLU A 10 -12.593 0.416 6.203 1.00 0.00 C ATOM 156 C GLU A 10 -11.701 -0.752 5.751 1.00 0.00 C ATOM 157 O GLU A 10 -10.476 -0.631 5.658 1.00 0.00 O ATOM 158 CB GLU A 10 -12.922 1.390 5.056 1.00 0.00 C ATOM 159 CG GLU A 10 -11.763 2.261 4.591 1.00 0.00 C ATOM 160 CD GLU A 10 -12.180 3.241 3.511 1.00 0.00 C ATOM 161 OE1 GLU A 10 -12.200 2.859 2.331 1.00 0.00 O ATOM 162 OE2 GLU A 10 -12.518 4.398 3.831 1.00 0.00 O ATOM 0 H GLU A 10 -11.334 1.805 7.122 1.00 0.00 H new ATOM 0 HA GLU A 10 -13.528 -0.046 6.520 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -13.287 0.814 4.205 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -13.738 2.039 5.375 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -11.360 2.810 5.442 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -10.962 1.626 4.213 1.00 0.00 H new ATOM 169 N GLU A 11 -12.330 -1.883 5.514 1.00 0.00 N ATOM 170 CA GLU A 11 -11.682 -3.076 5.067 1.00 0.00 C ATOM 171 C GLU A 11 -11.688 -3.196 3.570 1.00 0.00 C ATOM 172 O GLU A 11 -12.711 -3.003 2.900 1.00 0.00 O ATOM 173 CB GLU A 11 -12.380 -4.297 5.645 1.00 0.00 C ATOM 174 CG GLU A 11 -11.981 -5.618 4.994 1.00 0.00 C ATOM 175 CD GLU A 11 -12.766 -6.806 5.518 1.00 0.00 C ATOM 176 OE1 GLU A 11 -12.656 -7.125 6.733 1.00 0.00 O ATOM 177 OE2 GLU A 11 -13.500 -7.462 4.723 1.00 0.00 O ATOM 0 H GLU A 11 -13.337 -1.991 5.634 1.00 0.00 H new ATOM 0 HA GLU A 11 -10.649 -3.022 5.410 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -12.165 -4.352 6.712 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -13.457 -4.167 5.543 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -12.126 -5.542 3.916 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -10.918 -5.791 5.161 1.00 0.00 H new ATOM 184 N PHE A 12 -10.566 -3.512 3.071 1.00 0.00 N ATOM 185 CA PHE A 12 -10.391 -3.862 1.728 1.00 0.00 C ATOM 186 C PHE A 12 -9.888 -5.250 1.678 1.00 0.00 C ATOM 187 O PHE A 12 -9.045 -5.613 2.459 1.00 0.00 O ATOM 188 CB PHE A 12 -9.371 -2.992 1.064 1.00 0.00 C ATOM 189 CG PHE A 12 -9.790 -1.582 0.818 1.00 0.00 C ATOM 190 CD1 PHE A 12 -10.420 -1.235 -0.362 1.00 0.00 C ATOM 191 CD2 PHE A 12 -9.542 -0.597 1.756 1.00 0.00 C ATOM 192 CE1 PHE A 12 -10.793 0.067 -0.603 1.00 0.00 C ATOM 193 CE2 PHE A 12 -9.915 0.705 1.522 1.00 0.00 C ATOM 194 CZ PHE A 12 -10.542 1.038 0.341 1.00 0.00 C ATOM 0 H PHE A 12 -9.703 -3.535 3.614 1.00 0.00 H new ATOM 0 HA PHE A 12 -11.346 -3.747 1.215 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -8.471 -2.983 1.679 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -9.100 -3.444 0.110 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -10.622 -1.994 -1.103 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -9.050 -0.853 2.683 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -11.282 0.327 -1.530 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -9.717 1.466 2.263 1.00 0.00 H new ATOM 0 HZ PHE A 12 -10.837 2.060 0.156 1.00 0.00 H new ATOM 204 N THR A 13 -10.397 -6.034 0.815 1.00 0.00 N ATOM 205 CA THR A 13 -9.844 -7.323 0.653 1.00 0.00 C ATOM 206 C THR A 13 -8.914 -7.261 -0.562 1.00 0.00 C ATOM 207 O THR A 13 -9.166 -6.488 -1.465 1.00 0.00 O ATOM 208 CB THR A 13 -10.924 -8.376 0.495 1.00 0.00 C ATOM 209 OG1 THR A 13 -11.915 -8.189 1.526 1.00 0.00 O ATOM 210 CG2 THR A 13 -10.321 -9.734 0.660 1.00 0.00 C ATOM 0 H THR A 13 -11.189 -5.813 0.212 1.00 0.00 H new ATOM 0 HA THR A 13 -9.282 -7.616 1.540 1.00 0.00 H new ATOM 0 HB THR A 13 -11.379 -8.286 -0.492 1.00 0.00 H new ATOM 0 HG1 THR A 13 -11.480 -8.200 2.404 1.00 0.00 H new ATOM 0 HG21 THR A 13 -11.096 -10.492 0.547 1.00 0.00 H new ATOM 0 HG22 THR A 13 -9.552 -9.885 -0.097 1.00 0.00 H new ATOM 0 HG23 THR A 13 -9.875 -9.816 1.651 1.00 0.00 H new ATOM 218 N ALA A 14 -7.875 -8.063 -0.576 1.00 0.00 N ATOM 219 CA ALA A 14 -6.777 -7.949 -1.577 1.00 0.00 C ATOM 220 C ALA A 14 -7.249 -7.962 -3.033 1.00 0.00 C ATOM 221 O ALA A 14 -6.844 -7.099 -3.829 1.00 0.00 O ATOM 222 CB ALA A 14 -5.728 -9.024 -1.351 1.00 0.00 C ATOM 0 H ALA A 14 -7.743 -8.820 0.095 1.00 0.00 H new ATOM 0 HA ALA A 14 -6.337 -6.965 -1.415 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -4.936 -8.922 -2.093 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -5.305 -8.916 -0.352 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -6.189 -10.007 -1.445 1.00 0.00 H new ATOM 228 N GLU A 15 -8.120 -8.897 -3.371 1.00 0.00 N ATOM 229 CA GLU A 15 -8.649 -9.012 -4.733 1.00 0.00 C ATOM 230 C GLU A 15 -9.406 -7.737 -5.114 1.00 0.00 C ATOM 231 O GLU A 15 -9.368 -7.277 -6.249 1.00 0.00 O ATOM 232 CB GLU A 15 -9.602 -10.221 -4.879 1.00 0.00 C ATOM 233 CG GLU A 15 -9.062 -11.576 -4.398 1.00 0.00 C ATOM 234 CD GLU A 15 -9.113 -11.758 -2.885 1.00 0.00 C ATOM 235 OE1 GLU A 15 -8.228 -11.273 -2.175 1.00 0.00 O ATOM 236 OE2 GLU A 15 -10.057 -12.388 -2.399 1.00 0.00 O ATOM 0 H GLU A 15 -8.482 -9.595 -2.721 1.00 0.00 H new ATOM 0 HA GLU A 15 -7.798 -9.159 -5.398 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -10.518 -10.003 -4.329 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -9.876 -10.316 -5.930 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -9.636 -12.373 -4.870 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -8.030 -11.685 -4.733 1.00 0.00 H new ATOM 243 N GLN A 16 -10.084 -7.195 -4.142 1.00 0.00 N ATOM 244 CA GLN A 16 -10.869 -5.991 -4.281 1.00 0.00 C ATOM 245 C GLN A 16 -9.997 -4.724 -4.291 1.00 0.00 C ATOM 246 O GLN A 16 -10.236 -3.803 -5.057 1.00 0.00 O ATOM 247 CB GLN A 16 -11.881 -5.969 -3.170 1.00 0.00 C ATOM 248 CG GLN A 16 -12.966 -7.008 -3.360 1.00 0.00 C ATOM 249 CD GLN A 16 -13.634 -7.343 -2.081 1.00 0.00 C ATOM 250 OE1 GLN A 16 -14.618 -6.724 -1.671 1.00 0.00 O ATOM 251 NE2 GLN A 16 -13.131 -8.345 -1.464 1.00 0.00 N ATOM 0 H GLN A 16 -10.109 -7.587 -3.201 1.00 0.00 H new ATOM 0 HA GLN A 16 -11.378 -5.996 -5.245 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -11.377 -6.143 -2.219 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -12.335 -4.979 -3.114 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -13.705 -6.637 -4.070 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -12.534 -7.911 -3.792 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -12.315 -8.823 -1.847 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -13.546 -8.666 -0.589 1.00 0.00 H new ATOM 260 N LEU A 17 -8.970 -4.713 -3.444 1.00 0.00 N ATOM 261 CA LEU A 17 -8.031 -3.585 -3.304 1.00 0.00 C ATOM 262 C LEU A 17 -7.302 -3.368 -4.633 1.00 0.00 C ATOM 263 O LEU A 17 -7.069 -2.239 -5.047 1.00 0.00 O ATOM 264 CB LEU A 17 -7.013 -3.907 -2.154 1.00 0.00 C ATOM 265 CG LEU A 17 -6.041 -2.785 -1.625 1.00 0.00 C ATOM 266 CD1 LEU A 17 -5.112 -2.253 -2.649 1.00 0.00 C ATOM 267 CD2 LEU A 17 -6.778 -1.667 -0.943 1.00 0.00 C ATOM 0 H LEU A 17 -8.757 -5.495 -2.824 1.00 0.00 H new ATOM 0 HA LEU A 17 -8.569 -2.672 -3.050 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -7.590 -4.265 -1.301 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -6.395 -4.739 -2.492 1.00 0.00 H new ATOM 0 HG LEU A 17 -5.421 -3.290 -0.885 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -4.479 -1.486 -2.203 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -4.488 -3.062 -3.030 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -5.684 -1.819 -3.469 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -6.065 -0.919 -0.596 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -7.473 -1.207 -1.646 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -7.332 -2.062 -0.091 1.00 0.00 H new ATOM 279 N SER A 18 -6.995 -4.469 -5.310 1.00 0.00 N ATOM 280 CA SER A 18 -6.267 -4.447 -6.577 1.00 0.00 C ATOM 281 C SER A 18 -7.035 -3.688 -7.666 1.00 0.00 C ATOM 282 O SER A 18 -6.483 -3.377 -8.721 1.00 0.00 O ATOM 283 CB SER A 18 -6.012 -5.885 -7.054 1.00 0.00 C ATOM 284 OG SER A 18 -5.197 -5.914 -8.233 1.00 0.00 O ATOM 0 H SER A 18 -7.244 -5.407 -4.995 1.00 0.00 H new ATOM 0 HA SER A 18 -5.323 -3.930 -6.403 1.00 0.00 H new ATOM 0 HB2 SER A 18 -5.525 -6.451 -6.260 1.00 0.00 H new ATOM 0 HB3 SER A 18 -6.964 -6.376 -7.257 1.00 0.00 H new ATOM 0 HG SER A 18 -5.297 -5.070 -8.721 1.00 0.00 H new ATOM 290 N GLN A 19 -8.287 -3.408 -7.412 1.00 0.00 N ATOM 291 CA GLN A 19 -9.133 -2.752 -8.370 1.00 0.00 C ATOM 292 C GLN A 19 -9.105 -1.244 -8.144 1.00 0.00 C ATOM 293 O GLN A 19 -9.615 -0.470 -8.950 1.00 0.00 O ATOM 294 CB GLN A 19 -10.539 -3.305 -8.230 1.00 0.00 C ATOM 295 CG GLN A 19 -10.561 -4.825 -8.302 1.00 0.00 C ATOM 296 CD GLN A 19 -11.934 -5.421 -8.121 1.00 0.00 C ATOM 297 OE1 GLN A 19 -12.953 -4.814 -8.464 1.00 0.00 O ATOM 298 NE2 GLN A 19 -11.974 -6.606 -7.572 1.00 0.00 N ATOM 0 H GLN A 19 -8.749 -3.630 -6.530 1.00 0.00 H new ATOM 0 HA GLN A 19 -8.776 -2.939 -9.383 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -10.964 -2.980 -7.280 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -11.170 -2.895 -9.018 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -10.162 -5.140 -9.266 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -9.897 -5.226 -7.536 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -11.108 -7.073 -7.303 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -12.871 -7.064 -7.412 1.00 0.00 H new ATOM 307 N TYR A 20 -8.500 -0.833 -7.051 1.00 0.00 N ATOM 308 CA TYR A 20 -8.379 0.563 -6.732 1.00 0.00 C ATOM 309 C TYR A 20 -6.956 1.036 -6.913 1.00 0.00 C ATOM 310 O TYR A 20 -6.173 1.102 -5.962 1.00 0.00 O ATOM 311 CB TYR A 20 -8.898 0.876 -5.328 1.00 0.00 C ATOM 312 CG TYR A 20 -10.384 0.666 -5.170 1.00 0.00 C ATOM 313 CD1 TYR A 20 -11.270 1.692 -5.461 1.00 0.00 C ATOM 314 CD2 TYR A 20 -10.904 -0.548 -4.741 1.00 0.00 C ATOM 315 CE1 TYR A 20 -12.624 1.521 -5.332 1.00 0.00 C ATOM 316 CE2 TYR A 20 -12.264 -0.729 -4.608 1.00 0.00 C ATOM 317 CZ TYR A 20 -13.119 0.312 -4.907 1.00 0.00 C ATOM 318 OH TYR A 20 -14.480 0.142 -4.785 1.00 0.00 O ATOM 0 H TYR A 20 -8.081 -1.459 -6.363 1.00 0.00 H new ATOM 0 HA TYR A 20 -9.008 1.113 -7.431 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -8.373 0.249 -4.608 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -8.658 1.911 -5.084 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -10.886 2.644 -5.796 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -10.233 -1.362 -4.508 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -13.298 2.332 -5.563 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -12.657 -1.677 -4.273 1.00 0.00 H new ATOM 0 HH TYR A 20 -14.670 -0.768 -4.475 1.00 0.00 H new ATOM 328 N ASN A 21 -6.604 1.296 -8.147 1.00 0.00 N ATOM 329 CA ASN A 21 -5.269 1.745 -8.479 1.00 0.00 C ATOM 330 C ASN A 21 -5.293 2.974 -9.376 1.00 0.00 C ATOM 331 O ASN A 21 -4.243 3.516 -9.732 1.00 0.00 O ATOM 332 CB ASN A 21 -4.425 0.608 -9.089 1.00 0.00 C ATOM 333 CG ASN A 21 -5.019 -0.015 -10.334 1.00 0.00 C ATOM 334 OD1 ASN A 21 -5.724 0.631 -11.101 1.00 0.00 O ATOM 335 ND2 ASN A 21 -4.743 -1.279 -10.534 1.00 0.00 N ATOM 0 H ASN A 21 -7.229 1.204 -8.948 1.00 0.00 H new ATOM 0 HA ASN A 21 -4.787 2.041 -7.547 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -3.435 0.996 -9.329 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -4.289 -0.170 -8.338 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -5.119 -1.760 -11.351 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -4.152 -1.783 -9.873 1.00 0.00 H new ATOM 342 N GLY A 22 -6.484 3.393 -9.757 1.00 0.00 N ATOM 343 CA GLY A 22 -6.637 4.621 -10.488 1.00 0.00 C ATOM 344 C GLY A 22 -6.625 4.483 -11.990 1.00 0.00 C ATOM 345 O GLY A 22 -6.590 5.495 -12.693 1.00 0.00 O ATOM 0 H GLY A 22 -7.355 2.897 -9.569 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -7.576 5.087 -10.190 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -5.837 5.301 -10.196 1.00 0.00 H new ATOM 349 N THR A 23 -6.660 3.273 -12.511 1.00 0.00 N ATOM 350 CA THR A 23 -6.629 3.141 -13.952 1.00 0.00 C ATOM 351 C THR A 23 -8.031 2.966 -14.537 1.00 0.00 C ATOM 352 O THR A 23 -8.298 3.414 -15.652 1.00 0.00 O ATOM 353 CB THR A 23 -5.669 2.010 -14.448 1.00 0.00 C ATOM 354 OG1 THR A 23 -5.485 2.096 -15.873 1.00 0.00 O ATOM 355 CG2 THR A 23 -6.198 0.626 -14.121 1.00 0.00 C ATOM 0 H THR A 23 -6.708 2.401 -11.984 1.00 0.00 H new ATOM 0 HA THR A 23 -6.221 4.080 -14.325 1.00 0.00 H new ATOM 0 HB THR A 23 -4.722 2.157 -13.929 1.00 0.00 H new ATOM 0 HG1 THR A 23 -4.881 1.383 -16.168 1.00 0.00 H new ATOM 0 HG21 THR A 23 -5.498 -0.126 -14.485 1.00 0.00 H new ATOM 0 HG22 THR A 23 -6.311 0.525 -13.042 1.00 0.00 H new ATOM 0 HG23 THR A 23 -7.166 0.483 -14.602 1.00 0.00 H new ATOM 363 N ASP A 24 -8.937 2.356 -13.785 1.00 0.00 N ATOM 364 CA ASP A 24 -10.276 2.117 -14.311 1.00 0.00 C ATOM 365 C ASP A 24 -11.157 3.318 -14.049 1.00 0.00 C ATOM 366 O ASP A 24 -11.681 3.475 -12.956 1.00 0.00 O ATOM 367 CB ASP A 24 -10.911 0.869 -13.709 1.00 0.00 C ATOM 368 CG ASP A 24 -12.259 0.546 -14.327 1.00 0.00 C ATOM 369 OD1 ASP A 24 -12.296 0.015 -15.465 1.00 0.00 O ATOM 370 OD2 ASP A 24 -13.279 0.791 -13.696 1.00 0.00 O ATOM 0 H ASP A 24 -8.778 2.025 -12.834 1.00 0.00 H new ATOM 0 HA ASP A 24 -10.182 1.956 -15.385 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -10.240 0.021 -13.847 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -11.032 1.009 -12.635 1.00 0.00 H new ATOM 375 N GLU A 25 -11.232 4.219 -15.038 1.00 0.00 N ATOM 376 CA GLU A 25 -12.001 5.485 -14.947 1.00 0.00 C ATOM 377 C GLU A 25 -11.479 6.346 -13.810 1.00 0.00 C ATOM 378 O GLU A 25 -12.135 7.298 -13.372 1.00 0.00 O ATOM 379 CB GLU A 25 -13.505 5.243 -14.774 1.00 0.00 C ATOM 380 CG GLU A 25 -14.162 4.494 -15.915 1.00 0.00 C ATOM 381 CD GLU A 25 -15.651 4.424 -15.738 1.00 0.00 C ATOM 382 OE1 GLU A 25 -16.141 3.513 -15.065 1.00 0.00 O ATOM 383 OE2 GLU A 25 -16.356 5.311 -16.247 1.00 0.00 O ATOM 0 H GLU A 25 -10.760 4.096 -15.934 1.00 0.00 H new ATOM 0 HA GLU A 25 -11.860 6.009 -15.892 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -13.665 4.685 -13.851 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -14.003 6.206 -14.655 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -13.929 4.988 -16.858 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -13.753 3.485 -15.974 1.00 0.00 H new ATOM 390 N SER A 26 -10.271 6.018 -13.383 1.00 0.00 N ATOM 391 CA SER A 26 -9.615 6.632 -12.280 1.00 0.00 C ATOM 392 C SER A 26 -10.387 6.406 -10.969 1.00 0.00 C ATOM 393 O SER A 26 -10.957 7.335 -10.398 1.00 0.00 O ATOM 394 CB SER A 26 -9.313 8.124 -12.549 1.00 0.00 C ATOM 395 OG SER A 26 -8.709 8.752 -11.435 1.00 0.00 O ATOM 0 H SER A 26 -9.713 5.287 -13.824 1.00 0.00 H new ATOM 0 HA SER A 26 -8.648 6.145 -12.158 1.00 0.00 H new ATOM 0 HB2 SER A 26 -8.656 8.210 -13.414 1.00 0.00 H new ATOM 0 HB3 SER A 26 -10.239 8.642 -12.799 1.00 0.00 H new ATOM 0 HG SER A 26 -9.290 8.658 -10.652 1.00 0.00 H new ATOM 401 N LYS A 27 -10.471 5.146 -10.546 1.00 0.00 N ATOM 402 CA LYS A 27 -11.078 4.823 -9.254 1.00 0.00 C ATOM 403 C LYS A 27 -10.188 5.381 -8.142 1.00 0.00 C ATOM 404 O LYS A 27 -9.008 5.656 -8.393 1.00 0.00 O ATOM 405 CB LYS A 27 -11.212 3.294 -9.049 1.00 0.00 C ATOM 406 CG LYS A 27 -12.049 2.555 -10.075 1.00 0.00 C ATOM 407 CD LYS A 27 -12.277 1.117 -9.646 1.00 0.00 C ATOM 408 CE LYS A 27 -13.156 0.364 -10.625 1.00 0.00 C ATOM 409 NZ LYS A 27 -14.503 0.972 -10.768 1.00 0.00 N ATOM 0 H LYS A 27 -10.131 4.340 -11.071 1.00 0.00 H new ATOM 0 HA LYS A 27 -12.075 5.263 -9.228 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -10.212 2.859 -9.044 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -11.642 3.116 -8.063 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -13.007 3.059 -10.201 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -11.549 2.576 -11.043 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -11.317 0.609 -9.556 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -12.739 1.102 -8.659 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -12.668 0.338 -11.599 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -13.261 -0.669 -10.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -15.131 0.310 -11.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -14.893 1.177 -9.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -14.429 1.856 -11.311 1.00 0.00 H new ATOM 423 N PRO A 28 -10.737 5.583 -6.906 1.00 0.00 N ATOM 424 CA PRO A 28 -9.934 6.014 -5.755 1.00 0.00 C ATOM 425 C PRO A 28 -8.688 5.141 -5.622 1.00 0.00 C ATOM 426 O PRO A 28 -8.761 3.917 -5.733 1.00 0.00 O ATOM 427 CB PRO A 28 -10.873 5.793 -4.575 1.00 0.00 C ATOM 428 CG PRO A 28 -12.229 5.979 -5.148 1.00 0.00 C ATOM 429 CD PRO A 28 -12.164 5.431 -6.550 1.00 0.00 C ATOM 0 HA PRO A 28 -9.581 7.042 -5.834 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -10.753 4.796 -4.152 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -10.679 6.505 -3.773 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -12.978 5.452 -4.557 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -12.510 7.032 -5.153 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -12.480 4.389 -6.590 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -12.810 5.986 -7.230 1.00 0.00 H new ATOM 437 N ILE A 29 -7.577 5.757 -5.385 1.00 0.00 N ATOM 438 CA ILE A 29 -6.325 5.060 -5.415 1.00 0.00 C ATOM 439 C ILE A 29 -5.848 4.803 -4.006 1.00 0.00 C ATOM 440 O ILE A 29 -5.783 5.721 -3.178 1.00 0.00 O ATOM 441 CB ILE A 29 -5.257 5.881 -6.167 1.00 0.00 C ATOM 442 CG1 ILE A 29 -5.812 6.357 -7.503 1.00 0.00 C ATOM 443 CG2 ILE A 29 -4.025 5.009 -6.419 1.00 0.00 C ATOM 444 CD1 ILE A 29 -4.886 7.257 -8.257 1.00 0.00 C ATOM 0 H ILE A 29 -7.507 6.751 -5.166 1.00 0.00 H new ATOM 0 HA ILE A 29 -6.475 4.114 -5.936 1.00 0.00 H new ATOM 0 HB ILE A 29 -4.982 6.744 -5.561 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -6.042 5.488 -8.120 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -6.751 6.882 -7.329 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -3.271 5.590 -6.950 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -3.618 4.671 -5.466 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -4.308 4.145 -7.020 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -5.352 7.553 -9.197 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -4.676 8.145 -7.660 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -3.955 6.730 -8.464 1.00 0.00 H new ATOM 456 N TYR A 30 -5.516 3.578 -3.730 1.00 0.00 N ATOM 457 CA TYR A 30 -5.058 3.202 -2.421 1.00 0.00 C ATOM 458 C TYR A 30 -3.787 2.419 -2.507 1.00 0.00 C ATOM 459 O TYR A 30 -3.480 1.832 -3.529 1.00 0.00 O ATOM 460 CB TYR A 30 -6.124 2.379 -1.692 1.00 0.00 C ATOM 461 CG TYR A 30 -7.437 3.096 -1.462 1.00 0.00 C ATOM 462 CD1 TYR A 30 -7.578 3.993 -0.420 1.00 0.00 C ATOM 463 CD2 TYR A 30 -8.527 2.875 -2.287 1.00 0.00 C ATOM 464 CE1 TYR A 30 -8.767 4.651 -0.206 1.00 0.00 C ATOM 465 CE2 TYR A 30 -9.722 3.535 -2.077 1.00 0.00 C ATOM 466 CZ TYR A 30 -9.832 4.422 -1.033 1.00 0.00 C ATOM 467 OH TYR A 30 -11.018 5.092 -0.814 1.00 0.00 O ATOM 0 H TYR A 30 -5.554 2.811 -4.401 1.00 0.00 H new ATOM 0 HA TYR A 30 -4.870 4.116 -1.858 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -6.318 1.473 -2.266 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -5.724 2.066 -0.728 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -6.741 4.180 0.237 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -8.441 2.177 -3.106 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -8.859 5.348 0.614 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -10.564 3.355 -2.729 1.00 0.00 H new ATOM 0 HH TYR A 30 -11.676 4.820 -1.487 1.00 0.00 H new ATOM 477 N VAL A 31 -3.043 2.451 -1.450 1.00 0.00 N ATOM 478 CA VAL A 31 -1.840 1.666 -1.304 1.00 0.00 C ATOM 479 C VAL A 31 -1.926 0.935 0.005 1.00 0.00 C ATOM 480 O VAL A 31 -2.708 1.327 0.875 1.00 0.00 O ATOM 481 CB VAL A 31 -0.538 2.519 -1.290 1.00 0.00 C ATOM 482 CG1 VAL A 31 -0.258 3.190 -2.613 1.00 0.00 C ATOM 483 CG2 VAL A 31 -0.572 3.542 -0.180 1.00 0.00 C ATOM 0 H VAL A 31 -3.251 3.034 -0.640 1.00 0.00 H new ATOM 0 HA VAL A 31 -1.780 0.999 -2.164 1.00 0.00 H new ATOM 0 HB VAL A 31 0.280 1.822 -1.108 1.00 0.00 H new ATOM 0 HG11 VAL A 31 0.662 3.770 -2.539 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -0.149 2.433 -3.389 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -1.085 3.853 -2.867 1.00 0.00 H new ATOM 0 HG21 VAL A 31 0.350 4.124 -0.193 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.423 4.207 -0.324 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -0.667 3.034 0.780 1.00 0.00 H new ATOM 493 N ALA A 32 -1.156 -0.097 0.164 1.00 0.00 N ATOM 494 CA ALA A 32 -1.155 -0.812 1.402 1.00 0.00 C ATOM 495 C ALA A 32 0.259 -1.015 1.902 1.00 0.00 C ATOM 496 O ALA A 32 1.159 -1.364 1.134 1.00 0.00 O ATOM 497 CB ALA A 32 -1.905 -2.129 1.275 1.00 0.00 C ATOM 0 H ALA A 32 -0.522 -0.462 -0.546 1.00 0.00 H new ATOM 0 HA ALA A 32 -1.683 -0.213 2.144 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -1.888 -2.651 2.232 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -2.938 -1.933 0.987 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -1.428 -2.748 0.515 1.00 0.00 H new ATOM 503 N ILE A 33 0.454 -0.737 3.164 1.00 0.00 N ATOM 504 CA ILE A 33 1.724 -0.926 3.832 1.00 0.00 C ATOM 505 C ILE A 33 1.428 -1.664 5.124 1.00 0.00 C ATOM 506 O ILE A 33 0.787 -1.114 5.993 1.00 0.00 O ATOM 507 CB ILE A 33 2.366 0.457 4.175 1.00 0.00 C ATOM 508 CG1 ILE A 33 2.562 1.316 2.929 1.00 0.00 C ATOM 509 CG2 ILE A 33 3.672 0.317 4.924 1.00 0.00 C ATOM 510 CD1 ILE A 33 3.282 2.615 3.218 1.00 0.00 C ATOM 0 H ILE A 33 -0.276 -0.366 3.772 1.00 0.00 H new ATOM 0 HA ILE A 33 2.415 -1.478 3.195 1.00 0.00 H new ATOM 0 HB ILE A 33 1.658 0.962 4.833 1.00 0.00 H new ATOM 0 HG12 ILE A 33 3.127 0.750 2.189 1.00 0.00 H new ATOM 0 HG13 ILE A 33 1.590 1.535 2.488 1.00 0.00 H new ATOM 0 HG21 ILE A 33 4.077 1.306 5.138 1.00 0.00 H new ATOM 0 HG22 ILE A 33 3.500 -0.215 5.860 1.00 0.00 H new ATOM 0 HG23 ILE A 33 4.383 -0.242 4.315 1.00 0.00 H new ATOM 0 HD11 ILE A 33 3.392 3.183 2.294 1.00 0.00 H new ATOM 0 HD12 ILE A 33 2.706 3.198 3.936 1.00 0.00 H new ATOM 0 HD13 ILE A 33 4.267 2.401 3.632 1.00 0.00 H new ATOM 522 N LYS A 34 1.874 -2.910 5.244 1.00 0.00 N ATOM 523 CA LYS A 34 1.537 -3.752 6.403 1.00 0.00 C ATOM 524 C LYS A 34 0.032 -3.901 6.572 1.00 0.00 C ATOM 525 O LYS A 34 -0.477 -4.083 7.684 1.00 0.00 O ATOM 526 CB LYS A 34 2.213 -3.254 7.689 1.00 0.00 C ATOM 527 CG LYS A 34 3.612 -3.791 7.899 1.00 0.00 C ATOM 528 CD LYS A 34 3.558 -5.302 8.058 1.00 0.00 C ATOM 529 CE LYS A 34 4.894 -5.889 8.433 1.00 0.00 C ATOM 530 NZ LYS A 34 4.809 -7.356 8.623 1.00 0.00 N ATOM 0 H LYS A 34 2.472 -3.367 4.555 1.00 0.00 H new ATOM 0 HA LYS A 34 1.935 -4.747 6.203 1.00 0.00 H new ATOM 0 HB2 LYS A 34 2.253 -2.165 7.668 1.00 0.00 H new ATOM 0 HB3 LYS A 34 1.596 -3.534 8.543 1.00 0.00 H new ATOM 0 HG2 LYS A 34 4.245 -3.526 7.052 1.00 0.00 H new ATOM 0 HG3 LYS A 34 4.058 -3.337 8.784 1.00 0.00 H new ATOM 0 HD2 LYS A 34 2.824 -5.558 8.822 1.00 0.00 H new ATOM 0 HD3 LYS A 34 3.216 -5.751 7.125 1.00 0.00 H new ATOM 0 HE2 LYS A 34 5.623 -5.664 7.655 1.00 0.00 H new ATOM 0 HE3 LYS A 34 5.253 -5.423 9.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 5.746 -7.728 8.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 4.131 -7.569 9.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 4.490 -7.803 7.740 1.00 0.00 H new ATOM 544 N GLY A 35 -0.668 -3.870 5.453 1.00 0.00 N ATOM 545 CA GLY A 35 -2.103 -3.982 5.454 1.00 0.00 C ATOM 546 C GLY A 35 -2.775 -2.642 5.639 1.00 0.00 C ATOM 547 O GLY A 35 -3.968 -2.519 5.458 1.00 0.00 O ATOM 0 H GLY A 35 -0.255 -3.767 4.526 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -2.433 -4.426 4.515 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -2.413 -4.657 6.252 1.00 0.00 H new ATOM 551 N ARG A 36 -1.995 -1.646 5.988 1.00 0.00 N ATOM 552 CA ARG A 36 -2.491 -0.307 6.214 1.00 0.00 C ATOM 553 C ARG A 36 -2.758 0.350 4.891 1.00 0.00 C ATOM 554 O ARG A 36 -1.837 0.612 4.125 1.00 0.00 O ATOM 555 CB ARG A 36 -1.466 0.493 7.003 1.00 0.00 C ATOM 556 CG ARG A 36 -1.168 -0.082 8.368 1.00 0.00 C ATOM 557 CD ARG A 36 0.016 0.593 9.018 1.00 0.00 C ATOM 558 NE ARG A 36 -0.250 1.984 9.322 1.00 0.00 N ATOM 559 CZ ARG A 36 0.661 2.868 9.707 1.00 0.00 C ATOM 560 NH1 ARG A 36 1.972 2.557 9.722 1.00 0.00 N ATOM 561 NH2 ARG A 36 0.273 4.076 10.071 1.00 0.00 N ATOM 0 H ARG A 36 -0.989 -1.742 6.125 1.00 0.00 H new ATOM 0 HA ARG A 36 -3.417 -0.348 6.787 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -0.540 0.546 6.430 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -1.827 1.515 7.120 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -2.044 0.028 9.007 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -0.972 -1.150 8.277 1.00 0.00 H new ATOM 0 HD2 ARG A 36 0.275 0.065 9.936 1.00 0.00 H new ATOM 0 HD3 ARG A 36 0.880 0.526 8.356 1.00 0.00 H new ATOM 0 HE ARG A 36 -1.213 2.309 9.233 1.00 0.00 H new ATOM 0 HH11 ARG A 36 2.279 1.628 9.434 1.00 0.00 H new ATOM 0 HH12 ARG A 36 2.657 3.251 10.021 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -0.717 4.320 10.054 1.00 0.00 H new ATOM 0 HH22 ARG A 36 0.963 4.765 10.369 1.00 0.00 H new ATOM 575 N VAL A 37 -4.000 0.578 4.618 1.00 0.00 N ATOM 576 CA VAL A 37 -4.407 1.163 3.380 1.00 0.00 C ATOM 577 C VAL A 37 -4.475 2.670 3.482 1.00 0.00 C ATOM 578 O VAL A 37 -5.244 3.214 4.267 1.00 0.00 O ATOM 579 CB VAL A 37 -5.762 0.590 2.908 1.00 0.00 C ATOM 580 CG1 VAL A 37 -6.239 1.293 1.667 1.00 0.00 C ATOM 581 CG2 VAL A 37 -5.615 -0.882 2.619 1.00 0.00 C ATOM 0 H VAL A 37 -4.769 0.362 5.252 1.00 0.00 H new ATOM 0 HA VAL A 37 -3.653 0.907 2.636 1.00 0.00 H new ATOM 0 HB VAL A 37 -6.494 0.744 3.701 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -7.195 0.872 1.355 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -6.362 2.356 1.875 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -5.507 1.162 0.870 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -6.572 -1.285 2.286 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -4.869 -1.027 1.838 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -5.298 -1.401 3.524 1.00 0.00 H new ATOM 591 N PHE A 38 -3.662 3.324 2.704 1.00 0.00 N ATOM 592 CA PHE A 38 -3.628 4.769 2.651 1.00 0.00 C ATOM 593 C PHE A 38 -4.265 5.231 1.358 1.00 0.00 C ATOM 594 O PHE A 38 -4.116 4.569 0.320 1.00 0.00 O ATOM 595 CB PHE A 38 -2.187 5.291 2.701 1.00 0.00 C ATOM 596 CG PHE A 38 -1.411 4.956 3.949 1.00 0.00 C ATOM 597 CD1 PHE A 38 -0.720 3.761 4.059 1.00 0.00 C ATOM 598 CD2 PHE A 38 -1.362 5.847 5.004 1.00 0.00 C ATOM 599 CE1 PHE A 38 0.001 3.464 5.196 1.00 0.00 C ATOM 600 CE2 PHE A 38 -0.643 5.552 6.143 1.00 0.00 C ATOM 601 CZ PHE A 38 0.038 4.359 6.239 1.00 0.00 C ATOM 0 H PHE A 38 -2.995 2.871 2.080 1.00 0.00 H new ATOM 0 HA PHE A 38 -4.172 5.157 3.512 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -1.646 4.893 1.842 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -2.209 6.375 2.590 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -0.746 3.053 3.244 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -1.893 6.785 4.936 1.00 0.00 H new ATOM 0 HE1 PHE A 38 0.536 2.529 5.267 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -0.614 6.257 6.960 1.00 0.00 H new ATOM 0 HZ PHE A 38 0.600 4.127 7.132 1.00 0.00 H new ATOM 611 N ASP A 39 -4.973 6.338 1.408 1.00 0.00 N ATOM 612 CA ASP A 39 -5.584 6.898 0.208 1.00 0.00 C ATOM 613 C ASP A 39 -4.612 7.832 -0.466 1.00 0.00 C ATOM 614 O ASP A 39 -4.212 8.847 0.104 1.00 0.00 O ATOM 615 CB ASP A 39 -6.891 7.648 0.522 1.00 0.00 C ATOM 616 CG ASP A 39 -7.549 8.239 -0.728 1.00 0.00 C ATOM 617 OD1 ASP A 39 -7.212 9.368 -1.114 1.00 0.00 O ATOM 618 OD2 ASP A 39 -8.427 7.600 -1.327 1.00 0.00 O ATOM 0 H ASP A 39 -5.143 6.872 2.260 1.00 0.00 H new ATOM 0 HA ASP A 39 -5.830 6.070 -0.456 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -7.589 6.965 1.007 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -6.684 8.449 1.232 1.00 0.00 H new ATOM 623 N VAL A 40 -4.230 7.489 -1.661 1.00 0.00 N ATOM 624 CA VAL A 40 -3.298 8.287 -2.430 1.00 0.00 C ATOM 625 C VAL A 40 -3.986 8.911 -3.624 1.00 0.00 C ATOM 626 O VAL A 40 -3.336 9.331 -4.576 1.00 0.00 O ATOM 627 CB VAL A 40 -2.069 7.468 -2.911 1.00 0.00 C ATOM 628 CG1 VAL A 40 -1.179 7.088 -1.759 1.00 0.00 C ATOM 629 CG2 VAL A 40 -2.503 6.220 -3.636 1.00 0.00 C ATOM 0 H VAL A 40 -4.552 6.647 -2.138 1.00 0.00 H new ATOM 0 HA VAL A 40 -2.937 9.070 -1.763 1.00 0.00 H new ATOM 0 HB VAL A 40 -1.508 8.105 -3.595 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.328 6.516 -2.130 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.821 7.990 -1.263 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -1.742 6.482 -1.049 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -1.624 5.664 -3.962 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -3.097 5.598 -2.966 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -3.102 6.493 -4.504 1.00 0.00 H new ATOM 639 N THR A 41 -5.298 9.020 -3.541 1.00 0.00 N ATOM 640 CA THR A 41 -6.095 9.595 -4.608 1.00 0.00 C ATOM 641 C THR A 41 -5.709 11.076 -4.821 1.00 0.00 C ATOM 642 O THR A 41 -5.761 11.591 -5.937 1.00 0.00 O ATOM 643 CB THR A 41 -7.596 9.475 -4.270 1.00 0.00 C ATOM 644 OG1 THR A 41 -7.896 8.102 -3.963 1.00 0.00 O ATOM 645 CG2 THR A 41 -8.458 9.909 -5.445 1.00 0.00 C ATOM 0 H THR A 41 -5.841 8.713 -2.734 1.00 0.00 H new ATOM 0 HA THR A 41 -5.899 9.048 -5.530 1.00 0.00 H new ATOM 0 HB THR A 41 -7.812 10.121 -3.419 1.00 0.00 H new ATOM 0 HG1 THR A 41 -8.225 8.037 -3.042 1.00 0.00 H new ATOM 0 HG21 THR A 41 -9.511 9.814 -5.179 1.00 0.00 H new ATOM 0 HG22 THR A 41 -8.239 10.947 -5.693 1.00 0.00 H new ATOM 0 HG23 THR A 41 -8.243 9.277 -6.307 1.00 0.00 H new ATOM 653 N THR A 42 -5.277 11.729 -3.740 1.00 0.00 N ATOM 654 CA THR A 42 -4.848 13.116 -3.796 1.00 0.00 C ATOM 655 C THR A 42 -3.516 13.235 -4.578 1.00 0.00 C ATOM 656 O THR A 42 -3.195 14.287 -5.135 1.00 0.00 O ATOM 657 CB THR A 42 -4.704 13.726 -2.356 1.00 0.00 C ATOM 658 OG1 THR A 42 -4.394 15.120 -2.429 1.00 0.00 O ATOM 659 CG2 THR A 42 -3.615 13.015 -1.552 1.00 0.00 C ATOM 0 H THR A 42 -5.217 11.310 -2.812 1.00 0.00 H new ATOM 0 HA THR A 42 -5.613 13.687 -4.322 1.00 0.00 H new ATOM 0 HB THR A 42 -5.660 13.587 -1.851 1.00 0.00 H new ATOM 0 HG1 THR A 42 -4.309 15.484 -1.523 1.00 0.00 H new ATOM 0 HG21 THR A 42 -3.543 13.463 -0.561 1.00 0.00 H new ATOM 0 HG22 THR A 42 -3.865 11.959 -1.455 1.00 0.00 H new ATOM 0 HG23 THR A 42 -2.659 13.116 -2.066 1.00 0.00 H new ATOM 667 N GLY A 43 -2.779 12.136 -4.633 1.00 0.00 N ATOM 668 CA GLY A 43 -1.518 12.104 -5.315 1.00 0.00 C ATOM 669 C GLY A 43 -1.598 11.218 -6.531 1.00 0.00 C ATOM 670 O GLY A 43 -0.679 10.444 -6.815 1.00 0.00 O ATOM 0 H GLY A 43 -3.047 11.250 -4.204 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -1.232 13.113 -5.611 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -0.743 11.738 -4.642 1.00 0.00 H new ATOM 674 N LYS A 44 -2.704 11.331 -7.255 1.00 0.00 N ATOM 675 CA LYS A 44 -2.985 10.536 -8.415 1.00 0.00 C ATOM 676 C LYS A 44 -1.863 10.623 -9.450 1.00 0.00 C ATOM 677 O LYS A 44 -1.517 9.623 -10.088 1.00 0.00 O ATOM 678 CB LYS A 44 -4.267 11.029 -9.018 1.00 0.00 C ATOM 679 CG LYS A 44 -4.746 10.213 -10.165 1.00 0.00 C ATOM 680 CD LYS A 44 -5.950 10.821 -10.800 1.00 0.00 C ATOM 681 CE LYS A 44 -7.119 10.970 -9.834 1.00 0.00 C ATOM 682 NZ LYS A 44 -8.283 11.575 -10.496 1.00 0.00 N ATOM 0 H LYS A 44 -3.442 12.000 -7.035 1.00 0.00 H new ATOM 0 HA LYS A 44 -3.069 9.491 -8.115 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -5.038 11.043 -8.247 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -4.129 12.058 -9.349 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -3.951 10.120 -10.904 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -4.983 9.206 -9.823 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -5.688 11.801 -11.199 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -6.259 10.205 -11.644 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -7.391 9.993 -9.436 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -6.818 11.587 -8.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -8.906 12.002 -9.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -7.962 12.309 -11.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -8.806 10.842 -11.017 1.00 0.00 H new ATOM 696 N SER A 45 -1.281 11.801 -9.581 1.00 0.00 N ATOM 697 CA SER A 45 -0.216 12.049 -10.531 1.00 0.00 C ATOM 698 C SER A 45 1.029 11.199 -10.224 1.00 0.00 C ATOM 699 O SER A 45 1.856 10.941 -11.102 1.00 0.00 O ATOM 700 CB SER A 45 0.132 13.530 -10.502 1.00 0.00 C ATOM 701 OG SER A 45 -1.028 14.316 -10.741 1.00 0.00 O ATOM 0 H SER A 45 -1.537 12.618 -9.026 1.00 0.00 H new ATOM 0 HA SER A 45 -0.560 11.765 -11.525 1.00 0.00 H new ATOM 0 HB2 SER A 45 0.562 13.790 -9.535 1.00 0.00 H new ATOM 0 HB3 SER A 45 0.888 13.747 -11.256 1.00 0.00 H new ATOM 0 HG SER A 45 -0.790 15.266 -10.718 1.00 0.00 H new ATOM 707 N PHE A 46 1.150 10.759 -8.991 1.00 0.00 N ATOM 708 CA PHE A 46 2.283 9.973 -8.580 1.00 0.00 C ATOM 709 C PHE A 46 1.966 8.486 -8.596 1.00 0.00 C ATOM 710 O PHE A 46 2.827 7.672 -8.906 1.00 0.00 O ATOM 711 CB PHE A 46 2.757 10.394 -7.186 1.00 0.00 C ATOM 712 CG PHE A 46 3.228 11.819 -7.107 1.00 0.00 C ATOM 713 CD1 PHE A 46 4.542 12.143 -7.403 1.00 0.00 C ATOM 714 CD2 PHE A 46 2.358 12.837 -6.740 1.00 0.00 C ATOM 715 CE1 PHE A 46 4.981 13.450 -7.336 1.00 0.00 C ATOM 716 CE2 PHE A 46 2.792 14.147 -6.672 1.00 0.00 C ATOM 717 CZ PHE A 46 4.105 14.454 -6.970 1.00 0.00 C ATOM 0 H PHE A 46 0.469 10.936 -8.253 1.00 0.00 H new ATOM 0 HA PHE A 46 3.084 10.156 -9.296 1.00 0.00 H new ATOM 0 HB2 PHE A 46 1.941 10.252 -6.477 1.00 0.00 H new ATOM 0 HB3 PHE A 46 3.568 9.736 -6.875 1.00 0.00 H new ATOM 0 HD1 PHE A 46 5.232 11.363 -7.690 1.00 0.00 H new ATOM 0 HD2 PHE A 46 1.330 12.602 -6.505 1.00 0.00 H new ATOM 0 HE1 PHE A 46 6.008 13.688 -7.569 1.00 0.00 H new ATOM 0 HE2 PHE A 46 2.105 14.930 -6.386 1.00 0.00 H new ATOM 0 HZ PHE A 46 4.447 15.477 -6.917 1.00 0.00 H new ATOM 727 N TYR A 47 0.747 8.132 -8.262 1.00 0.00 N ATOM 728 CA TYR A 47 0.379 6.732 -8.177 1.00 0.00 C ATOM 729 C TYR A 47 -0.436 6.220 -9.383 1.00 0.00 C ATOM 730 O TYR A 47 0.050 5.394 -10.153 1.00 0.00 O ATOM 731 CB TYR A 47 -0.361 6.471 -6.856 1.00 0.00 C ATOM 732 CG TYR A 47 0.470 6.826 -5.636 1.00 0.00 C ATOM 733 CD1 TYR A 47 0.584 8.143 -5.219 1.00 0.00 C ATOM 734 CD2 TYR A 47 1.158 5.857 -4.924 1.00 0.00 C ATOM 735 CE1 TYR A 47 1.347 8.490 -4.139 1.00 0.00 C ATOM 736 CE2 TYR A 47 1.936 6.199 -3.832 1.00 0.00 C ATOM 737 CZ TYR A 47 2.025 7.523 -3.448 1.00 0.00 C ATOM 738 OH TYR A 47 2.801 7.882 -2.373 1.00 0.00 O ATOM 0 H TYR A 47 -0.005 8.787 -8.045 1.00 0.00 H new ATOM 0 HA TYR A 47 1.308 6.162 -8.201 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -1.285 7.050 -6.842 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -0.643 5.419 -6.804 1.00 0.00 H new ATOM 0 HD1 TYR A 47 0.057 8.914 -5.761 1.00 0.00 H new ATOM 0 HD2 TYR A 47 1.086 4.822 -5.225 1.00 0.00 H new ATOM 0 HE1 TYR A 47 1.414 9.523 -3.832 1.00 0.00 H new ATOM 0 HE2 TYR A 47 2.470 5.437 -3.284 1.00 0.00 H new ATOM 0 HH TYR A 47 2.814 7.151 -1.720 1.00 0.00 H new ATOM 748 N GLY A 48 -1.638 6.747 -9.574 1.00 0.00 N ATOM 749 CA GLY A 48 -2.553 6.176 -10.559 1.00 0.00 C ATOM 750 C GLY A 48 -2.273 6.541 -12.002 1.00 0.00 C ATOM 751 O GLY A 48 -2.502 5.730 -12.903 1.00 0.00 O ATOM 0 H GLY A 48 -2.000 7.556 -9.070 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -2.527 5.090 -10.466 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -3.567 6.493 -10.313 1.00 0.00 H new ATOM 755 N SER A 49 -1.756 7.723 -12.237 1.00 0.00 N ATOM 756 CA SER A 49 -1.578 8.200 -13.598 1.00 0.00 C ATOM 757 C SER A 49 -0.225 7.784 -14.179 1.00 0.00 C ATOM 758 O SER A 49 0.256 8.377 -15.145 1.00 0.00 O ATOM 759 CB SER A 49 -1.744 9.712 -13.622 1.00 0.00 C ATOM 760 OG SER A 49 -3.024 10.080 -13.106 1.00 0.00 O ATOM 0 H SER A 49 -1.451 8.373 -11.512 1.00 0.00 H new ATOM 0 HA SER A 49 -2.339 7.741 -14.229 1.00 0.00 H new ATOM 0 HB2 SER A 49 -0.958 10.180 -13.030 1.00 0.00 H new ATOM 0 HB3 SER A 49 -1.636 10.080 -14.642 1.00 0.00 H new ATOM 0 HG SER A 49 -3.117 11.055 -13.126 1.00 0.00 H new ATOM 766 N GLY A 50 0.356 6.738 -13.623 1.00 0.00 N ATOM 767 CA GLY A 50 1.639 6.278 -14.089 1.00 0.00 C ATOM 768 C GLY A 50 2.742 7.165 -13.593 1.00 0.00 C ATOM 769 O GLY A 50 3.559 7.671 -14.375 1.00 0.00 O ATOM 0 H GLY A 50 -0.041 6.198 -12.854 1.00 0.00 H new ATOM 0 HA2 GLY A 50 1.808 5.256 -13.749 1.00 0.00 H new ATOM 0 HA3 GLY A 50 1.647 6.256 -15.179 1.00 0.00 H new ATOM 773 N GLY A 51 2.756 7.380 -12.300 1.00 0.00 N ATOM 774 CA GLY A 51 3.754 8.217 -11.709 1.00 0.00 C ATOM 775 C GLY A 51 4.963 7.413 -11.257 1.00 0.00 C ATOM 776 O GLY A 51 5.129 6.258 -11.653 1.00 0.00 O ATOM 0 H GLY A 51 2.085 6.984 -11.642 1.00 0.00 H new ATOM 0 HA2 GLY A 51 4.068 8.974 -12.428 1.00 0.00 H new ATOM 0 HA3 GLY A 51 3.328 8.745 -10.856 1.00 0.00 H new ATOM 780 N ASP A 52 5.785 8.006 -10.415 1.00 0.00 N ATOM 781 CA ASP A 52 6.999 7.342 -9.882 1.00 0.00 C ATOM 782 C ASP A 52 6.628 6.289 -8.838 1.00 0.00 C ATOM 783 O ASP A 52 7.430 5.431 -8.466 1.00 0.00 O ATOM 784 CB ASP A 52 7.935 8.390 -9.274 1.00 0.00 C ATOM 785 CG ASP A 52 9.244 7.827 -8.743 1.00 0.00 C ATOM 786 OD1 ASP A 52 10.149 7.530 -9.556 1.00 0.00 O ATOM 787 OD2 ASP A 52 9.420 7.745 -7.507 1.00 0.00 O ATOM 0 H ASP A 52 5.648 8.956 -10.071 1.00 0.00 H new ATOM 0 HA ASP A 52 7.511 6.838 -10.702 1.00 0.00 H new ATOM 0 HB2 ASP A 52 8.157 9.144 -10.029 1.00 0.00 H new ATOM 0 HB3 ASP A 52 7.415 8.897 -8.461 1.00 0.00 H new ATOM 792 N TYR A 53 5.403 6.358 -8.381 1.00 0.00 N ATOM 793 CA TYR A 53 4.886 5.452 -7.386 1.00 0.00 C ATOM 794 C TYR A 53 3.730 4.640 -7.969 1.00 0.00 C ATOM 795 O TYR A 53 2.880 4.132 -7.236 1.00 0.00 O ATOM 796 CB TYR A 53 4.402 6.245 -6.173 1.00 0.00 C ATOM 797 CG TYR A 53 5.482 6.983 -5.412 1.00 0.00 C ATOM 798 CD1 TYR A 53 5.904 8.249 -5.801 1.00 0.00 C ATOM 799 CD2 TYR A 53 6.075 6.409 -4.298 1.00 0.00 C ATOM 800 CE1 TYR A 53 6.885 8.918 -5.099 1.00 0.00 C ATOM 801 CE2 TYR A 53 7.052 7.072 -3.590 1.00 0.00 C ATOM 802 CZ TYR A 53 7.455 8.325 -3.992 1.00 0.00 C ATOM 803 OH TYR A 53 8.431 8.994 -3.281 1.00 0.00 O ATOM 0 H TYR A 53 4.727 7.055 -8.694 1.00 0.00 H new ATOM 0 HA TYR A 53 5.678 4.769 -7.078 1.00 0.00 H new ATOM 0 HB2 TYR A 53 3.656 6.967 -6.505 1.00 0.00 H new ATOM 0 HB3 TYR A 53 3.901 5.561 -5.488 1.00 0.00 H new ATOM 0 HD1 TYR A 53 5.457 8.716 -6.666 1.00 0.00 H new ATOM 0 HD2 TYR A 53 5.765 5.424 -3.980 1.00 0.00 H new ATOM 0 HE1 TYR A 53 7.205 9.900 -5.414 1.00 0.00 H new ATOM 0 HE2 TYR A 53 7.500 6.611 -2.723 1.00 0.00 H new ATOM 0 HH TYR A 53 8.727 8.439 -2.530 1.00 0.00 H new ATOM 813 N SER A 54 3.739 4.473 -9.278 1.00 0.00 N ATOM 814 CA SER A 54 2.666 3.796 -9.983 1.00 0.00 C ATOM 815 C SER A 54 2.549 2.317 -9.577 1.00 0.00 C ATOM 816 O SER A 54 1.445 1.773 -9.526 1.00 0.00 O ATOM 817 CB SER A 54 2.861 3.922 -11.498 1.00 0.00 C ATOM 818 OG SER A 54 1.746 3.405 -12.224 1.00 0.00 O ATOM 0 H SER A 54 4.491 4.803 -9.883 1.00 0.00 H new ATOM 0 HA SER A 54 1.733 4.283 -9.701 1.00 0.00 H new ATOM 0 HB2 SER A 54 3.009 4.970 -11.759 1.00 0.00 H new ATOM 0 HB3 SER A 54 3.765 3.389 -11.793 1.00 0.00 H new ATOM 0 HG SER A 54 0.918 3.796 -11.874 1.00 0.00 H new ATOM 824 N MET A 55 3.673 1.687 -9.243 1.00 0.00 N ATOM 825 CA MET A 55 3.680 0.256 -8.897 1.00 0.00 C ATOM 826 C MET A 55 3.036 0.012 -7.548 1.00 0.00 C ATOM 827 O MET A 55 2.640 -1.109 -7.231 1.00 0.00 O ATOM 828 CB MET A 55 5.098 -0.300 -8.861 1.00 0.00 C ATOM 829 CG MET A 55 5.876 -0.142 -10.142 1.00 0.00 C ATOM 830 SD MET A 55 5.071 -0.896 -11.570 1.00 0.00 S ATOM 831 CE MET A 55 6.298 -0.565 -12.834 1.00 0.00 C ATOM 0 H MET A 55 4.588 2.136 -9.203 1.00 0.00 H new ATOM 0 HA MET A 55 3.108 -0.253 -9.673 1.00 0.00 H new ATOM 0 HB2 MET A 55 5.645 0.193 -8.058 1.00 0.00 H new ATOM 0 HB3 MET A 55 5.051 -1.360 -8.611 1.00 0.00 H new ATOM 0 HG2 MET A 55 6.026 0.920 -10.338 1.00 0.00 H new ATOM 0 HG3 MET A 55 6.864 -0.586 -10.015 1.00 0.00 H new ATOM 0 HE1 MET A 55 5.956 -0.968 -13.787 1.00 0.00 H new ATOM 0 HE2 MET A 55 6.444 0.511 -12.926 1.00 0.00 H new ATOM 0 HE3 MET A 55 7.241 -1.037 -12.558 1.00 0.00 H new ATOM 841 N PHE A 56 2.924 1.064 -6.777 1.00 0.00 N ATOM 842 CA PHE A 56 2.393 0.997 -5.432 1.00 0.00 C ATOM 843 C PHE A 56 0.872 1.051 -5.448 1.00 0.00 C ATOM 844 O PHE A 56 0.219 0.638 -4.494 1.00 0.00 O ATOM 845 CB PHE A 56 2.945 2.168 -4.599 1.00 0.00 C ATOM 846 CG PHE A 56 4.452 2.184 -4.457 1.00 0.00 C ATOM 847 CD1 PHE A 56 5.266 2.617 -5.493 1.00 0.00 C ATOM 848 CD2 PHE A 56 5.047 1.760 -3.294 1.00 0.00 C ATOM 849 CE1 PHE A 56 6.637 2.625 -5.363 1.00 0.00 C ATOM 850 CE2 PHE A 56 6.416 1.763 -3.155 1.00 0.00 C ATOM 851 CZ PHE A 56 7.214 2.197 -4.191 1.00 0.00 C ATOM 0 H PHE A 56 3.201 2.003 -7.065 1.00 0.00 H new ATOM 0 HA PHE A 56 2.700 0.052 -4.985 1.00 0.00 H new ATOM 0 HB2 PHE A 56 2.626 3.104 -5.057 1.00 0.00 H new ATOM 0 HB3 PHE A 56 2.500 2.131 -3.605 1.00 0.00 H new ATOM 0 HD1 PHE A 56 4.818 2.953 -6.416 1.00 0.00 H new ATOM 0 HD2 PHE A 56 4.431 1.419 -2.475 1.00 0.00 H new ATOM 0 HE1 PHE A 56 7.257 2.966 -6.179 1.00 0.00 H new ATOM 0 HE2 PHE A 56 6.865 1.425 -2.233 1.00 0.00 H new ATOM 0 HZ PHE A 56 8.289 2.201 -4.083 1.00 0.00 H new ATOM 861 N ALA A 57 0.318 1.546 -6.546 1.00 0.00 N ATOM 862 CA ALA A 57 -1.118 1.727 -6.669 1.00 0.00 C ATOM 863 C ALA A 57 -1.886 0.400 -6.603 1.00 0.00 C ATOM 864 O ALA A 57 -1.726 -0.478 -7.462 1.00 0.00 O ATOM 865 CB ALA A 57 -1.453 2.494 -7.940 1.00 0.00 C ATOM 0 H ALA A 57 0.848 1.831 -7.370 1.00 0.00 H new ATOM 0 HA ALA A 57 -1.443 2.316 -5.811 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -2.533 2.620 -8.015 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -0.975 3.473 -7.911 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -1.091 1.939 -8.806 1.00 0.00 H new ATOM 871 N GLY A 58 -2.694 0.283 -5.570 1.00 0.00 N ATOM 872 CA GLY A 58 -3.553 -0.860 -5.331 1.00 0.00 C ATOM 873 C GLY A 58 -2.828 -2.151 -5.096 1.00 0.00 C ATOM 874 O GLY A 58 -3.285 -3.216 -5.549 1.00 0.00 O ATOM 0 H GLY A 58 -2.774 1.002 -4.851 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -4.182 -0.650 -4.466 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -4.218 -0.983 -6.186 1.00 0.00 H new ATOM 878 N LYS A 59 -1.696 -2.090 -4.438 1.00 0.00 N ATOM 879 CA LYS A 59 -1.028 -3.231 -4.049 1.00 0.00 C ATOM 880 C LYS A 59 -0.350 -2.954 -2.721 1.00 0.00 C ATOM 881 O LYS A 59 -0.042 -1.790 -2.415 1.00 0.00 O ATOM 882 CB LYS A 59 -0.018 -3.570 -5.109 1.00 0.00 C ATOM 883 CG LYS A 59 0.719 -4.798 -4.821 1.00 0.00 C ATOM 884 CD LYS A 59 1.560 -5.191 -5.961 1.00 0.00 C ATOM 885 CE LYS A 59 0.750 -5.709 -7.139 1.00 0.00 C ATOM 886 NZ LYS A 59 1.620 -6.177 -8.232 1.00 0.00 N ATOM 0 H LYS A 59 -1.237 -1.219 -4.171 1.00 0.00 H new ATOM 0 HA LYS A 59 -1.709 -4.074 -3.929 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -0.526 -3.674 -6.068 1.00 0.00 H new ATOM 0 HB3 LYS A 59 0.687 -2.745 -5.209 1.00 0.00 H new ATOM 0 HG2 LYS A 59 1.342 -4.653 -3.938 1.00 0.00 H new ATOM 0 HG3 LYS A 59 0.018 -5.600 -4.588 1.00 0.00 H new ATOM 0 HD2 LYS A 59 2.153 -4.334 -6.282 1.00 0.00 H new ATOM 0 HD3 LYS A 59 2.261 -5.962 -5.641 1.00 0.00 H new ATOM 0 HE2 LYS A 59 0.108 -6.526 -6.809 1.00 0.00 H new ATOM 0 HE3 LYS A 59 0.096 -4.919 -7.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 1.034 -6.523 -9.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 2.215 -5.391 -8.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 2.227 -6.948 -7.887 1.00 0.00 H new ATOM 900 N ASP A 60 -0.160 -3.978 -1.910 1.00 0.00 N ATOM 901 CA ASP A 60 0.607 -3.797 -0.705 1.00 0.00 C ATOM 902 C ASP A 60 2.051 -3.749 -1.128 1.00 0.00 C ATOM 903 O ASP A 60 2.549 -4.665 -1.787 1.00 0.00 O ATOM 904 CB ASP A 60 0.375 -4.914 0.314 1.00 0.00 C ATOM 905 CG ASP A 60 1.084 -4.652 1.647 1.00 0.00 C ATOM 906 OD1 ASP A 60 2.323 -4.609 1.676 1.00 0.00 O ATOM 907 OD2 ASP A 60 0.396 -4.492 2.696 1.00 0.00 O ATOM 0 H ASP A 60 -0.519 -4.920 -2.063 1.00 0.00 H new ATOM 0 HA ASP A 60 0.301 -2.880 -0.202 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -0.695 -5.023 0.491 1.00 0.00 H new ATOM 0 HB3 ASP A 60 0.727 -5.858 -0.101 1.00 0.00 H new ATOM 912 N ALA A 61 2.706 -2.697 -0.788 1.00 0.00 N ATOM 913 CA ALA A 61 4.023 -2.456 -1.276 1.00 0.00 C ATOM 914 C ALA A 61 5.044 -2.459 -0.167 1.00 0.00 C ATOM 915 O ALA A 61 6.121 -1.886 -0.326 1.00 0.00 O ATOM 916 CB ALA A 61 4.031 -1.130 -1.995 1.00 0.00 C ATOM 0 H ALA A 61 2.346 -1.976 -0.163 1.00 0.00 H new ATOM 0 HA ALA A 61 4.297 -3.260 -1.959 1.00 0.00 H new ATOM 0 HB1 ALA A 61 5.032 -0.929 -2.376 1.00 0.00 H new ATOM 0 HB2 ALA A 61 3.326 -1.162 -2.826 1.00 0.00 H new ATOM 0 HB3 ALA A 61 3.740 -0.339 -1.303 1.00 0.00 H new ATOM 922 N SER A 62 4.750 -3.157 0.923 1.00 0.00 N ATOM 923 CA SER A 62 5.649 -3.191 2.080 1.00 0.00 C ATOM 924 C SER A 62 7.068 -3.644 1.685 1.00 0.00 C ATOM 925 O SER A 62 8.068 -3.064 2.125 1.00 0.00 O ATOM 926 CB SER A 62 5.088 -4.105 3.162 1.00 0.00 C ATOM 927 OG SER A 62 3.791 -3.700 3.534 1.00 0.00 O ATOM 0 H SER A 62 3.899 -3.708 1.034 1.00 0.00 H new ATOM 0 HA SER A 62 5.720 -2.176 2.471 1.00 0.00 H new ATOM 0 HB2 SER A 62 5.063 -5.133 2.800 1.00 0.00 H new ATOM 0 HB3 SER A 62 5.743 -4.090 4.033 1.00 0.00 H new ATOM 0 HG SER A 62 3.130 -4.200 3.011 1.00 0.00 H new ATOM 933 N ARG A 63 7.147 -4.656 0.837 1.00 0.00 N ATOM 934 CA ARG A 63 8.426 -5.159 0.373 1.00 0.00 C ATOM 935 C ARG A 63 9.120 -4.144 -0.544 1.00 0.00 C ATOM 936 O ARG A 63 10.319 -3.962 -0.467 1.00 0.00 O ATOM 937 CB ARG A 63 8.236 -6.499 -0.339 1.00 0.00 C ATOM 938 CG ARG A 63 9.490 -7.075 -0.975 1.00 0.00 C ATOM 939 CD ARG A 63 9.176 -8.367 -1.702 1.00 0.00 C ATOM 940 NE ARG A 63 10.292 -8.813 -2.534 1.00 0.00 N ATOM 941 CZ ARG A 63 10.332 -9.951 -3.225 1.00 0.00 C ATOM 942 NH1 ARG A 63 9.353 -10.845 -3.115 1.00 0.00 N ATOM 943 NH2 ARG A 63 11.357 -10.190 -4.023 1.00 0.00 N ATOM 0 H ARG A 63 6.337 -5.145 0.456 1.00 0.00 H new ATOM 0 HA ARG A 63 9.070 -5.313 1.239 1.00 0.00 H new ATOM 0 HB2 ARG A 63 7.846 -7.222 0.378 1.00 0.00 H new ATOM 0 HB3 ARG A 63 7.478 -6.377 -1.113 1.00 0.00 H new ATOM 0 HG2 ARG A 63 9.915 -6.353 -1.673 1.00 0.00 H new ATOM 0 HG3 ARG A 63 10.242 -7.257 -0.208 1.00 0.00 H new ATOM 0 HD2 ARG A 63 8.933 -9.142 -0.975 1.00 0.00 H new ATOM 0 HD3 ARG A 63 8.293 -8.227 -2.325 1.00 0.00 H new ATOM 0 HE ARG A 63 11.107 -8.203 -2.590 1.00 0.00 H new ATOM 0 HH11 ARG A 63 8.562 -10.662 -2.497 1.00 0.00 H new ATOM 0 HH12 ARG A 63 9.393 -11.713 -3.649 1.00 0.00 H new ATOM 0 HH21 ARG A 63 12.109 -9.506 -4.106 1.00 0.00 H new ATOM 0 HH22 ARG A 63 11.397 -11.059 -4.556 1.00 0.00 H new ATOM 957 N ALA A 64 8.337 -3.427 -1.332 1.00 0.00 N ATOM 958 CA ALA A 64 8.870 -2.504 -2.333 1.00 0.00 C ATOM 959 C ALA A 64 9.454 -1.330 -1.639 1.00 0.00 C ATOM 960 O ALA A 64 10.437 -0.764 -2.074 1.00 0.00 O ATOM 961 CB ALA A 64 7.783 -2.056 -3.294 1.00 0.00 C ATOM 0 H ALA A 64 7.318 -3.464 -1.300 1.00 0.00 H new ATOM 0 HA ALA A 64 9.639 -3.013 -2.914 1.00 0.00 H new ATOM 0 HB1 ALA A 64 8.206 -1.370 -4.028 1.00 0.00 H new ATOM 0 HB2 ALA A 64 7.369 -2.925 -3.806 1.00 0.00 H new ATOM 0 HB3 ALA A 64 6.992 -1.551 -2.739 1.00 0.00 H new ATOM 967 N LEU A 65 8.836 -0.989 -0.548 1.00 0.00 N ATOM 968 CA LEU A 65 9.280 0.061 0.305 1.00 0.00 C ATOM 969 C LEU A 65 10.652 -0.261 0.882 1.00 0.00 C ATOM 970 O LEU A 65 11.559 0.560 0.835 1.00 0.00 O ATOM 971 CB LEU A 65 8.272 0.234 1.422 1.00 0.00 C ATOM 972 CG LEU A 65 6.883 0.724 1.033 1.00 0.00 C ATOM 973 CD1 LEU A 65 6.010 0.823 2.244 1.00 0.00 C ATOM 974 CD2 LEU A 65 6.958 2.062 0.379 1.00 0.00 C ATOM 0 H LEU A 65 7.986 -1.449 -0.222 1.00 0.00 H new ATOM 0 HA LEU A 65 9.365 0.985 -0.268 1.00 0.00 H new ATOM 0 HB2 LEU A 65 8.163 -0.724 1.931 1.00 0.00 H new ATOM 0 HB3 LEU A 65 8.687 0.934 2.147 1.00 0.00 H new ATOM 0 HG LEU A 65 6.459 0.005 0.332 1.00 0.00 H new ATOM 0 HD11 LEU A 65 5.021 1.174 1.951 1.00 0.00 H new ATOM 0 HD12 LEU A 65 5.923 -0.158 2.711 1.00 0.00 H new ATOM 0 HD13 LEU A 65 6.449 1.525 2.953 1.00 0.00 H new ATOM 0 HD21 LEU A 65 5.955 2.392 0.110 1.00 0.00 H new ATOM 0 HD22 LEU A 65 7.403 2.779 1.068 1.00 0.00 H new ATOM 0 HD23 LEU A 65 7.571 1.994 -0.520 1.00 0.00 H new ATOM 986 N GLY A 66 10.800 -1.471 1.394 1.00 0.00 N ATOM 987 CA GLY A 66 12.063 -1.873 1.974 1.00 0.00 C ATOM 988 C GLY A 66 13.146 -2.030 0.930 1.00 0.00 C ATOM 989 O GLY A 66 14.295 -1.684 1.164 1.00 0.00 O ATOM 0 H GLY A 66 10.069 -2.182 1.419 1.00 0.00 H new ATOM 0 HA2 GLY A 66 12.375 -1.132 2.710 1.00 0.00 H new ATOM 0 HA3 GLY A 66 11.933 -2.816 2.505 1.00 0.00 H new ATOM 993 N LYS A 67 12.771 -2.538 -0.228 1.00 0.00 N ATOM 994 CA LYS A 67 13.709 -2.763 -1.311 1.00 0.00 C ATOM 995 C LYS A 67 14.044 -1.463 -2.044 1.00 0.00 C ATOM 996 O LYS A 67 15.111 -1.342 -2.643 1.00 0.00 O ATOM 997 CB LYS A 67 13.141 -3.796 -2.298 1.00 0.00 C ATOM 998 CG LYS A 67 12.743 -5.135 -1.661 1.00 0.00 C ATOM 999 CD LYS A 67 13.904 -5.823 -0.965 1.00 0.00 C ATOM 1000 CE LYS A 67 15.024 -6.170 -1.916 1.00 0.00 C ATOM 1001 NZ LYS A 67 14.667 -7.228 -2.878 1.00 0.00 N ATOM 0 H LYS A 67 11.811 -2.806 -0.444 1.00 0.00 H new ATOM 0 HA LYS A 67 14.632 -3.149 -0.878 1.00 0.00 H new ATOM 0 HB2 LYS A 67 12.267 -3.368 -2.789 1.00 0.00 H new ATOM 0 HB3 LYS A 67 13.883 -3.984 -3.074 1.00 0.00 H new ATOM 0 HG2 LYS A 67 11.942 -4.966 -0.941 1.00 0.00 H new ATOM 0 HG3 LYS A 67 12.345 -5.795 -2.432 1.00 0.00 H new ATOM 0 HD2 LYS A 67 14.288 -5.174 -0.178 1.00 0.00 H new ATOM 0 HD3 LYS A 67 13.547 -6.733 -0.482 1.00 0.00 H new ATOM 0 HE2 LYS A 67 15.316 -5.274 -2.464 1.00 0.00 H new ATOM 0 HE3 LYS A 67 15.893 -6.490 -1.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 14.926 -6.926 -3.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 15.179 -8.101 -2.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 13.643 -7.405 -2.835 1.00 0.00 H new ATOM 1015 N MET A 68 13.098 -0.511 -2.007 1.00 0.00 N ATOM 1016 CA MET A 68 13.200 0.816 -2.662 1.00 0.00 C ATOM 1017 C MET A 68 13.066 0.620 -4.139 1.00 0.00 C ATOM 1018 O MET A 68 13.475 1.451 -4.952 1.00 0.00 O ATOM 1019 CB MET A 68 14.515 1.541 -2.341 1.00 0.00 C ATOM 1020 CG MET A 68 14.748 1.822 -0.873 1.00 0.00 C ATOM 1021 SD MET A 68 16.247 2.805 -0.604 1.00 0.00 S ATOM 1022 CE MET A 68 15.867 4.280 -1.565 1.00 0.00 C ATOM 0 H MET A 68 12.217 -0.640 -1.510 1.00 0.00 H new ATOM 0 HA MET A 68 12.401 1.449 -2.277 1.00 0.00 H new ATOM 0 HB2 MET A 68 15.344 0.941 -2.717 1.00 0.00 H new ATOM 0 HB3 MET A 68 14.533 2.486 -2.884 1.00 0.00 H new ATOM 0 HG2 MET A 68 13.888 2.352 -0.464 1.00 0.00 H new ATOM 0 HG3 MET A 68 14.829 0.880 -0.331 1.00 0.00 H new ATOM 0 HE1 MET A 68 16.417 5.129 -1.161 1.00 0.00 H new ATOM 0 HE2 MET A 68 16.156 4.122 -2.604 1.00 0.00 H new ATOM 0 HE3 MET A 68 14.797 4.483 -1.513 1.00 0.00 H new ATOM 1032 N SER A 69 12.431 -0.450 -4.462 1.00 0.00 N ATOM 1033 CA SER A 69 12.312 -0.914 -5.787 1.00 0.00 C ATOM 1034 C SER A 69 10.910 -0.770 -6.290 1.00 0.00 C ATOM 1035 O SER A 69 9.937 -0.858 -5.542 1.00 0.00 O ATOM 1036 CB SER A 69 12.749 -2.359 -5.814 1.00 0.00 C ATOM 1037 OG SER A 69 14.079 -2.507 -5.323 1.00 0.00 O ATOM 0 H SER A 69 11.964 -1.046 -3.779 1.00 0.00 H new ATOM 0 HA SER A 69 12.944 -0.318 -6.445 1.00 0.00 H new ATOM 0 HB2 SER A 69 12.067 -2.959 -5.211 1.00 0.00 H new ATOM 0 HB3 SER A 69 12.691 -2.740 -6.834 1.00 0.00 H new ATOM 0 HG SER A 69 14.335 -3.453 -5.350 1.00 0.00 H new ATOM 1043 N LYS A 70 10.842 -0.537 -7.551 1.00 0.00 N ATOM 1044 CA LYS A 70 9.634 -0.341 -8.272 1.00 0.00 C ATOM 1045 C LYS A 70 9.328 -1.579 -9.079 1.00 0.00 C ATOM 1046 O LYS A 70 8.208 -1.787 -9.497 1.00 0.00 O ATOM 1047 CB LYS A 70 9.863 0.826 -9.177 1.00 0.00 C ATOM 1048 CG LYS A 70 10.180 2.087 -8.413 1.00 0.00 C ATOM 1049 CD LYS A 70 10.838 3.087 -9.302 1.00 0.00 C ATOM 1050 CE LYS A 70 11.003 4.437 -8.633 1.00 0.00 C ATOM 1051 NZ LYS A 70 11.895 4.373 -7.459 1.00 0.00 N ATOM 0 H LYS A 70 11.672 -0.474 -8.141 1.00 0.00 H new ATOM 0 HA LYS A 70 8.791 -0.154 -7.606 1.00 0.00 H new ATOM 0 HB2 LYS A 70 10.684 0.600 -9.858 1.00 0.00 H new ATOM 0 HB3 LYS A 70 8.976 0.988 -9.790 1.00 0.00 H new ATOM 0 HG2 LYS A 70 9.264 2.508 -7.999 1.00 0.00 H new ATOM 0 HG3 LYS A 70 10.833 1.855 -7.572 1.00 0.00 H new ATOM 0 HD2 LYS A 70 11.816 2.712 -9.604 1.00 0.00 H new ATOM 0 HD3 LYS A 70 10.248 3.205 -10.211 1.00 0.00 H new ATOM 0 HE2 LYS A 70 11.404 5.151 -9.353 1.00 0.00 H new ATOM 0 HE3 LYS A 70 10.026 4.810 -8.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 12.018 5.327 -7.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 11.476 3.752 -6.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 12.820 3.995 -7.746 1.00 0.00 H new ATOM 1065 N ASN A 71 10.349 -2.397 -9.302 1.00 0.00 N ATOM 1066 CA ASN A 71 10.172 -3.652 -10.005 1.00 0.00 C ATOM 1067 C ASN A 71 9.085 -4.493 -9.342 1.00 0.00 C ATOM 1068 O ASN A 71 9.111 -4.735 -8.125 1.00 0.00 O ATOM 1069 CB ASN A 71 11.502 -4.425 -10.171 1.00 0.00 C ATOM 1070 CG ASN A 71 12.275 -4.598 -8.890 1.00 0.00 C ATOM 1071 OD1 ASN A 71 13.121 -3.781 -8.542 1.00 0.00 O ATOM 1072 ND2 ASN A 71 12.006 -5.638 -8.202 1.00 0.00 N ATOM 0 H ASN A 71 11.307 -2.210 -9.004 1.00 0.00 H new ATOM 0 HA ASN A 71 9.837 -3.422 -11.016 1.00 0.00 H new ATOM 0 HB2 ASN A 71 11.289 -5.408 -10.590 1.00 0.00 H new ATOM 0 HB3 ASN A 71 12.128 -3.900 -10.893 1.00 0.00 H new ATOM 0 HD21 ASN A 71 12.502 -5.814 -7.328 1.00 0.00 H new ATOM 0 HD22 ASN A 71 11.295 -6.294 -8.526 1.00 0.00 H new ATOM 1079 N GLU A 72 8.150 -4.945 -10.164 1.00 0.00 N ATOM 1080 CA GLU A 72 6.915 -5.595 -9.727 1.00 0.00 C ATOM 1081 C GLU A 72 7.142 -6.833 -8.866 1.00 0.00 C ATOM 1082 O GLU A 72 6.269 -7.201 -8.075 1.00 0.00 O ATOM 1083 CB GLU A 72 6.047 -5.943 -10.935 1.00 0.00 C ATOM 1084 CG GLU A 72 5.701 -4.748 -11.808 1.00 0.00 C ATOM 1085 CD GLU A 72 4.816 -5.116 -12.971 1.00 0.00 C ATOM 1086 OE1 GLU A 72 5.321 -5.687 -13.959 1.00 0.00 O ATOM 1087 OE2 GLU A 72 3.594 -4.817 -12.923 1.00 0.00 O ATOM 0 H GLU A 72 8.227 -4.870 -11.178 1.00 0.00 H new ATOM 0 HA GLU A 72 6.400 -4.874 -9.091 1.00 0.00 H new ATOM 0 HB2 GLU A 72 6.566 -6.686 -11.541 1.00 0.00 H new ATOM 0 HB3 GLU A 72 5.124 -6.405 -10.586 1.00 0.00 H new ATOM 0 HG2 GLU A 72 5.202 -3.992 -11.202 1.00 0.00 H new ATOM 0 HG3 GLU A 72 6.620 -4.299 -12.184 1.00 0.00 H new ATOM 1094 N GLU A 73 8.296 -7.465 -8.998 1.00 0.00 N ATOM 1095 CA GLU A 73 8.590 -8.648 -8.199 1.00 0.00 C ATOM 1096 C GLU A 73 8.714 -8.283 -6.717 1.00 0.00 C ATOM 1097 O GLU A 73 8.328 -9.057 -5.846 1.00 0.00 O ATOM 1098 CB GLU A 73 9.856 -9.377 -8.678 1.00 0.00 C ATOM 1099 CG GLU A 73 11.122 -8.563 -8.587 1.00 0.00 C ATOM 1100 CD GLU A 73 12.353 -9.355 -8.902 1.00 0.00 C ATOM 1101 OE1 GLU A 73 12.894 -10.015 -8.000 1.00 0.00 O ATOM 1102 OE2 GLU A 73 12.812 -9.315 -10.051 1.00 0.00 O ATOM 0 H GLU A 73 9.037 -7.186 -9.641 1.00 0.00 H new ATOM 0 HA GLU A 73 7.753 -9.334 -8.328 1.00 0.00 H new ATOM 0 HB2 GLU A 73 9.981 -10.286 -8.089 1.00 0.00 H new ATOM 0 HB3 GLU A 73 9.712 -9.686 -9.713 1.00 0.00 H new ATOM 0 HG2 GLU A 73 11.054 -7.719 -9.274 1.00 0.00 H new ATOM 0 HG3 GLU A 73 11.210 -8.150 -7.582 1.00 0.00 H new ATOM 1109 N ASP A 74 9.211 -7.081 -6.441 1.00 0.00 N ATOM 1110 CA ASP A 74 9.404 -6.646 -5.069 1.00 0.00 C ATOM 1111 C ASP A 74 8.210 -5.918 -4.517 1.00 0.00 C ATOM 1112 O ASP A 74 8.195 -5.558 -3.356 1.00 0.00 O ATOM 1113 CB ASP A 74 10.688 -5.816 -4.854 1.00 0.00 C ATOM 1114 CG ASP A 74 11.969 -6.633 -4.887 1.00 0.00 C ATOM 1115 OD1 ASP A 74 12.242 -7.364 -3.920 1.00 0.00 O ATOM 1116 OD2 ASP A 74 12.733 -6.536 -5.860 1.00 0.00 O ATOM 0 H ASP A 74 9.485 -6.397 -7.147 1.00 0.00 H new ATOM 0 HA ASP A 74 9.526 -7.572 -4.507 1.00 0.00 H new ATOM 0 HB2 ASP A 74 10.742 -5.045 -5.622 1.00 0.00 H new ATOM 0 HB3 ASP A 74 10.621 -5.305 -3.894 1.00 0.00 H new ATOM 1121 N VAL A 75 7.202 -5.693 -5.320 1.00 0.00 N ATOM 1122 CA VAL A 75 6.018 -5.055 -4.788 1.00 0.00 C ATOM 1123 C VAL A 75 5.138 -6.162 -4.235 1.00 0.00 C ATOM 1124 O VAL A 75 4.495 -6.902 -4.993 1.00 0.00 O ATOM 1125 CB VAL A 75 5.236 -4.235 -5.851 1.00 0.00 C ATOM 1126 CG1 VAL A 75 4.229 -3.316 -5.193 1.00 0.00 C ATOM 1127 CG2 VAL A 75 6.154 -3.440 -6.736 1.00 0.00 C ATOM 0 H VAL A 75 7.171 -5.931 -6.311 1.00 0.00 H new ATOM 0 HA VAL A 75 6.313 -4.339 -4.021 1.00 0.00 H new ATOM 0 HB VAL A 75 4.706 -4.953 -6.477 1.00 0.00 H new ATOM 0 HG11 VAL A 75 3.695 -2.753 -5.959 1.00 0.00 H new ATOM 0 HG12 VAL A 75 3.519 -3.908 -4.616 1.00 0.00 H new ATOM 0 HG13 VAL A 75 4.747 -2.624 -4.529 1.00 0.00 H new ATOM 0 HG21 VAL A 75 5.565 -2.882 -7.464 1.00 0.00 H new ATOM 0 HG22 VAL A 75 6.733 -2.744 -6.128 1.00 0.00 H new ATOM 0 HG23 VAL A 75 6.831 -4.116 -7.258 1.00 0.00 H new ATOM 1137 N SER A 76 5.153 -6.312 -2.927 1.00 0.00 N ATOM 1138 CA SER A 76 4.461 -7.391 -2.274 1.00 0.00 C ATOM 1139 C SER A 76 4.272 -7.074 -0.790 1.00 0.00 C ATOM 1140 O SER A 76 5.056 -6.291 -0.210 1.00 0.00 O ATOM 1141 CB SER A 76 5.311 -8.671 -2.411 1.00 0.00 C ATOM 1142 OG SER A 76 4.673 -9.801 -1.823 1.00 0.00 O ATOM 0 H SER A 76 5.647 -5.686 -2.291 1.00 0.00 H new ATOM 0 HA SER A 76 3.483 -7.528 -2.735 1.00 0.00 H new ATOM 0 HB2 SER A 76 5.500 -8.870 -3.466 1.00 0.00 H new ATOM 0 HB3 SER A 76 6.280 -8.515 -1.938 1.00 0.00 H new ATOM 0 HG SER A 76 5.242 -10.591 -1.932 1.00 0.00 H new ATOM 1148 N PRO A 77 3.214 -7.640 -0.166 1.00 0.00 N ATOM 1149 CA PRO A 77 3.012 -7.551 1.277 1.00 0.00 C ATOM 1150 C PRO A 77 4.019 -8.421 2.035 1.00 0.00 C ATOM 1151 O PRO A 77 4.299 -8.193 3.220 1.00 0.00 O ATOM 1152 CB PRO A 77 1.590 -8.108 1.477 1.00 0.00 C ATOM 1153 CG PRO A 77 1.348 -8.979 0.298 1.00 0.00 C ATOM 1154 CD PRO A 77 2.097 -8.351 -0.838 1.00 0.00 C ATOM 0 HA PRO A 77 3.143 -6.535 1.650 1.00 0.00 H new ATOM 0 HB2 PRO A 77 1.514 -8.672 2.407 1.00 0.00 H new ATOM 0 HB3 PRO A 77 0.856 -7.304 1.531 1.00 0.00 H new ATOM 0 HG2 PRO A 77 1.699 -9.994 0.484 1.00 0.00 H new ATOM 0 HG3 PRO A 77 0.283 -9.046 0.074 1.00 0.00 H new ATOM 0 HD2 PRO A 77 2.463 -9.100 -1.540 1.00 0.00 H new ATOM 0 HD3 PRO A 77 1.467 -7.665 -1.404 1.00 0.00 H new ATOM 1162 N SER A 78 4.567 -9.398 1.335 1.00 0.00 N ATOM 1163 CA SER A 78 5.483 -10.359 1.904 1.00 0.00 C ATOM 1164 C SER A 78 6.826 -9.733 2.102 1.00 0.00 C ATOM 1165 O SER A 78 7.377 -9.089 1.206 1.00 0.00 O ATOM 1166 CB SER A 78 5.586 -11.575 0.983 1.00 0.00 C ATOM 1167 OG SER A 78 6.392 -12.621 1.537 1.00 0.00 O ATOM 0 H SER A 78 4.383 -9.545 0.342 1.00 0.00 H new ATOM 0 HA SER A 78 5.110 -10.684 2.875 1.00 0.00 H new ATOM 0 HB2 SER A 78 4.586 -11.960 0.783 1.00 0.00 H new ATOM 0 HB3 SER A 78 6.006 -11.266 0.026 1.00 0.00 H new ATOM 0 HG SER A 78 7.072 -12.891 0.885 1.00 0.00 H new ATOM 1173 N LEU A 79 7.365 -9.945 3.259 1.00 0.00 N ATOM 1174 CA LEU A 79 8.595 -9.380 3.606 1.00 0.00 C ATOM 1175 C LEU A 79 9.592 -10.470 3.695 1.00 0.00 C ATOM 1176 O LEU A 79 9.872 -11.018 4.760 1.00 0.00 O ATOM 1177 CB LEU A 79 8.507 -8.561 4.890 1.00 0.00 C ATOM 1178 CG LEU A 79 7.489 -7.414 4.882 1.00 0.00 C ATOM 1179 CD1 LEU A 79 7.618 -6.541 6.124 1.00 0.00 C ATOM 1180 CD2 LEU A 79 7.614 -6.595 3.616 1.00 0.00 C ATOM 0 H LEU A 79 6.946 -10.524 3.986 1.00 0.00 H new ATOM 0 HA LEU A 79 8.905 -8.671 2.839 1.00 0.00 H new ATOM 0 HB2 LEU A 79 8.261 -9.234 5.712 1.00 0.00 H new ATOM 0 HB3 LEU A 79 9.492 -8.146 5.102 1.00 0.00 H new ATOM 0 HG LEU A 79 6.492 -7.854 4.902 1.00 0.00 H new ATOM 0 HD11 LEU A 79 6.881 -5.739 6.083 1.00 0.00 H new ATOM 0 HD12 LEU A 79 7.447 -7.147 7.014 1.00 0.00 H new ATOM 0 HD13 LEU A 79 8.619 -6.112 6.165 1.00 0.00 H new ATOM 0 HD21 LEU A 79 6.883 -5.787 3.632 1.00 0.00 H new ATOM 0 HD22 LEU A 79 8.618 -6.175 3.552 1.00 0.00 H new ATOM 0 HD23 LEU A 79 7.432 -7.232 2.751 1.00 0.00 H new ATOM 1192 N GLU A 80 10.049 -10.842 2.560 1.00 0.00 N ATOM 1193 CA GLU A 80 10.929 -11.930 2.416 1.00 0.00 C ATOM 1194 C GLU A 80 12.191 -11.467 1.719 1.00 0.00 C ATOM 1195 O GLU A 80 12.140 -10.715 0.730 1.00 0.00 O ATOM 1196 CB GLU A 80 10.212 -13.035 1.660 1.00 0.00 C ATOM 1197 CG GLU A 80 9.718 -12.629 0.285 1.00 0.00 C ATOM 1198 CD GLU A 80 9.010 -13.742 -0.418 1.00 0.00 C ATOM 1199 OE1 GLU A 80 9.682 -14.601 -1.006 1.00 0.00 O ATOM 1200 OE2 GLU A 80 7.763 -13.765 -0.401 1.00 0.00 O ATOM 0 H GLU A 80 9.812 -10.382 1.681 1.00 0.00 H new ATOM 0 HA GLU A 80 11.228 -12.328 3.385 1.00 0.00 H new ATOM 0 HB2 GLU A 80 10.887 -13.885 1.555 1.00 0.00 H new ATOM 0 HB3 GLU A 80 9.363 -13.374 2.253 1.00 0.00 H new ATOM 0 HG2 GLU A 80 9.045 -11.777 0.381 1.00 0.00 H new ATOM 0 HG3 GLU A 80 10.564 -12.301 -0.320 1.00 0.00 H new ATOM 1207 N GLY A 81 13.311 -11.858 2.261 1.00 0.00 N ATOM 1208 CA GLY A 81 14.578 -11.410 1.750 1.00 0.00 C ATOM 1209 C GLY A 81 14.911 -10.127 2.426 1.00 0.00 C ATOM 1210 O GLY A 81 15.751 -9.336 1.975 1.00 0.00 O ATOM 0 H GLY A 81 13.373 -12.489 3.060 1.00 0.00 H new ATOM 0 HA2 GLY A 81 15.352 -12.154 1.940 1.00 0.00 H new ATOM 0 HA3 GLY A 81 14.527 -11.271 0.670 1.00 0.00 H new ATOM 1214 N LEU A 82 14.228 -9.926 3.525 1.00 0.00 N ATOM 1215 CA LEU A 82 14.319 -8.746 4.295 1.00 0.00 C ATOM 1216 C LEU A 82 14.715 -9.036 5.676 1.00 0.00 C ATOM 1217 O LEU A 82 14.026 -9.728 6.433 1.00 0.00 O ATOM 1218 CB LEU A 82 13.023 -7.963 4.272 1.00 0.00 C ATOM 1219 CG LEU A 82 12.597 -7.339 2.947 1.00 0.00 C ATOM 1220 CD1 LEU A 82 11.287 -6.647 3.137 1.00 0.00 C ATOM 1221 CD2 LEU A 82 13.606 -6.324 2.484 1.00 0.00 C ATOM 0 H LEU A 82 13.577 -10.612 3.907 1.00 0.00 H new ATOM 0 HA LEU A 82 15.094 -8.130 3.840 1.00 0.00 H new ATOM 0 HB2 LEU A 82 12.224 -8.627 4.603 1.00 0.00 H new ATOM 0 HB3 LEU A 82 13.100 -7.164 5.010 1.00 0.00 H new ATOM 0 HG LEU A 82 12.518 -8.130 2.201 1.00 0.00 H new ATOM 0 HD11 LEU A 82 10.973 -6.197 2.195 1.00 0.00 H new ATOM 0 HD12 LEU A 82 10.538 -7.369 3.462 1.00 0.00 H new ATOM 0 HD13 LEU A 82 11.393 -5.869 3.893 1.00 0.00 H new ATOM 0 HD21 LEU A 82 13.280 -5.893 1.537 1.00 0.00 H new ATOM 0 HD22 LEU A 82 13.697 -5.535 3.230 1.00 0.00 H new ATOM 0 HD23 LEU A 82 14.573 -6.808 2.349 1.00 0.00 H new ATOM 1233 N THR A 83 15.816 -8.508 5.976 1.00 0.00 N ATOM 1234 CA THR A 83 16.411 -8.558 7.229 1.00 0.00 C ATOM 1235 C THR A 83 15.761 -7.483 8.075 1.00 0.00 C ATOM 1236 O THR A 83 15.023 -6.649 7.551 1.00 0.00 O ATOM 1237 CB THR A 83 17.866 -8.241 6.993 1.00 0.00 C ATOM 1238 OG1 THR A 83 18.211 -8.744 5.689 1.00 0.00 O ATOM 1239 CG2 THR A 83 18.685 -8.967 7.961 1.00 0.00 C ATOM 0 H THR A 83 16.371 -7.987 5.297 1.00 0.00 H new ATOM 0 HA THR A 83 16.303 -9.519 7.732 1.00 0.00 H new ATOM 0 HB THR A 83 18.033 -7.168 7.081 1.00 0.00 H new ATOM 0 HG1 THR A 83 19.154 -8.552 5.503 1.00 0.00 H new ATOM 0 HG21 THR A 83 19.737 -8.739 7.791 1.00 0.00 H new ATOM 0 HG22 THR A 83 18.407 -8.666 8.971 1.00 0.00 H new ATOM 0 HG23 THR A 83 18.523 -10.038 7.844 1.00 0.00 H new ATOM 1247 N GLU A 84 16.031 -7.470 9.340 1.00 0.00 N ATOM 1248 CA GLU A 84 15.370 -6.546 10.214 1.00 0.00 C ATOM 1249 C GLU A 84 15.652 -5.073 9.837 1.00 0.00 C ATOM 1250 O GLU A 84 14.739 -4.258 9.843 1.00 0.00 O ATOM 1251 CB GLU A 84 15.648 -6.838 11.694 1.00 0.00 C ATOM 1252 CG GLU A 84 17.058 -6.550 12.182 1.00 0.00 C ATOM 1253 CD GLU A 84 18.104 -7.378 11.509 1.00 0.00 C ATOM 1254 OE1 GLU A 84 18.395 -8.488 11.983 1.00 0.00 O ATOM 1255 OE2 GLU A 84 18.643 -6.932 10.480 1.00 0.00 O ATOM 0 H GLU A 84 16.704 -8.087 9.795 1.00 0.00 H new ATOM 0 HA GLU A 84 14.300 -6.698 10.070 1.00 0.00 H new ATOM 0 HB2 GLU A 84 14.951 -6.253 12.295 1.00 0.00 H new ATOM 0 HB3 GLU A 84 15.428 -7.889 11.883 1.00 0.00 H new ATOM 0 HG2 GLU A 84 17.281 -5.495 12.020 1.00 0.00 H new ATOM 0 HG3 GLU A 84 17.104 -6.724 13.257 1.00 0.00 H new ATOM 1262 N LYS A 85 16.904 -4.739 9.460 1.00 0.00 N ATOM 1263 CA LYS A 85 17.198 -3.340 9.037 1.00 0.00 C ATOM 1264 C LYS A 85 16.480 -3.021 7.725 1.00 0.00 C ATOM 1265 O LYS A 85 16.095 -1.882 7.464 1.00 0.00 O ATOM 1266 CB LYS A 85 18.715 -3.014 8.875 1.00 0.00 C ATOM 1267 CG LYS A 85 19.445 -3.693 7.703 1.00 0.00 C ATOM 1268 CD LYS A 85 19.755 -5.182 7.895 1.00 0.00 C ATOM 1269 CE LYS A 85 20.904 -5.453 8.909 1.00 0.00 C ATOM 1270 NZ LYS A 85 20.576 -5.121 10.320 1.00 0.00 N ATOM 0 H LYS A 85 17.698 -5.379 9.437 1.00 0.00 H new ATOM 0 HA LYS A 85 16.831 -2.715 9.851 1.00 0.00 H new ATOM 0 HB2 LYS A 85 18.821 -1.935 8.763 1.00 0.00 H new ATOM 0 HB3 LYS A 85 19.223 -3.290 9.799 1.00 0.00 H new ATOM 0 HG2 LYS A 85 18.839 -3.578 6.804 1.00 0.00 H new ATOM 0 HG3 LYS A 85 20.381 -3.164 7.525 1.00 0.00 H new ATOM 0 HD2 LYS A 85 18.853 -5.691 8.235 1.00 0.00 H new ATOM 0 HD3 LYS A 85 20.022 -5.616 6.932 1.00 0.00 H new ATOM 0 HE2 LYS A 85 21.180 -6.506 8.852 1.00 0.00 H new ATOM 0 HE3 LYS A 85 21.779 -4.877 8.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 21.237 -5.613 10.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 20.658 -4.094 10.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 19.604 -5.424 10.531 1.00 0.00 H new ATOM 1284 N GLU A 86 16.260 -4.054 6.936 1.00 0.00 N ATOM 1285 CA GLU A 86 15.632 -3.953 5.657 1.00 0.00 C ATOM 1286 C GLU A 86 14.166 -3.645 5.843 1.00 0.00 C ATOM 1287 O GLU A 86 13.584 -2.830 5.135 1.00 0.00 O ATOM 1288 CB GLU A 86 15.798 -5.278 4.961 1.00 0.00 C ATOM 1289 CG GLU A 86 17.213 -5.618 4.536 1.00 0.00 C ATOM 1290 CD GLU A 86 17.772 -4.649 3.529 1.00 0.00 C ATOM 1291 OE1 GLU A 86 17.436 -4.763 2.338 1.00 0.00 O ATOM 1292 OE2 GLU A 86 18.576 -3.776 3.907 1.00 0.00 O ATOM 0 H GLU A 86 16.525 -5.007 7.184 1.00 0.00 H new ATOM 0 HA GLU A 86 16.081 -3.157 5.064 1.00 0.00 H new ATOM 0 HB2 GLU A 86 15.437 -6.065 5.624 1.00 0.00 H new ATOM 0 HB3 GLU A 86 15.160 -5.287 4.078 1.00 0.00 H new ATOM 0 HG2 GLU A 86 17.857 -5.632 5.415 1.00 0.00 H new ATOM 0 HG3 GLU A 86 17.228 -6.623 4.113 1.00 0.00 H new ATOM 1299 N ILE A 87 13.584 -4.293 6.816 1.00 0.00 N ATOM 1300 CA ILE A 87 12.217 -4.068 7.167 1.00 0.00 C ATOM 1301 C ILE A 87 12.073 -2.670 7.766 1.00 0.00 C ATOM 1302 O ILE A 87 11.147 -1.924 7.425 1.00 0.00 O ATOM 1303 CB ILE A 87 11.743 -5.100 8.175 1.00 0.00 C ATOM 1304 CG1 ILE A 87 11.870 -6.508 7.610 1.00 0.00 C ATOM 1305 CG2 ILE A 87 10.319 -4.818 8.536 1.00 0.00 C ATOM 1306 CD1 ILE A 87 11.528 -7.577 8.615 1.00 0.00 C ATOM 0 H ILE A 87 14.052 -4.996 7.388 1.00 0.00 H new ATOM 0 HA ILE A 87 11.607 -4.155 6.268 1.00 0.00 H new ATOM 0 HB ILE A 87 12.368 -5.036 9.066 1.00 0.00 H new ATOM 0 HG12 ILE A 87 11.215 -6.607 6.745 1.00 0.00 H new ATOM 0 HG13 ILE A 87 12.890 -6.662 7.257 1.00 0.00 H new ATOM 0 HG21 ILE A 87 9.974 -5.557 9.260 1.00 0.00 H new ATOM 0 HG22 ILE A 87 10.244 -3.821 8.971 1.00 0.00 H new ATOM 0 HG23 ILE A 87 9.699 -4.870 7.641 1.00 0.00 H new ATOM 0 HD11 ILE A 87 11.637 -8.558 8.154 1.00 0.00 H new ATOM 0 HD12 ILE A 87 12.200 -7.501 9.470 1.00 0.00 H new ATOM 0 HD13 ILE A 87 10.499 -7.446 8.950 1.00 0.00 H new ATOM 1318 N ASN A 88 13.022 -2.310 8.640 1.00 0.00 N ATOM 1319 CA ASN A 88 13.081 -0.965 9.253 1.00 0.00 C ATOM 1320 C ASN A 88 13.069 0.116 8.217 1.00 0.00 C ATOM 1321 O ASN A 88 12.532 1.207 8.444 1.00 0.00 O ATOM 1322 CB ASN A 88 14.300 -0.789 10.138 1.00 0.00 C ATOM 1323 CG ASN A 88 14.096 -1.233 11.578 1.00 0.00 C ATOM 1324 OD1 ASN A 88 13.717 -0.431 12.439 1.00 0.00 O ATOM 1325 ND2 ASN A 88 14.336 -2.480 11.858 1.00 0.00 N ATOM 0 H ASN A 88 13.769 -2.934 8.944 1.00 0.00 H new ATOM 0 HA ASN A 88 12.187 -0.881 9.871 1.00 0.00 H new ATOM 0 HB2 ASN A 88 15.130 -1.352 9.710 1.00 0.00 H new ATOM 0 HB3 ASN A 88 14.591 0.261 10.132 1.00 0.00 H new ATOM 0 HD21 ASN A 88 14.213 -2.822 12.811 1.00 0.00 H new ATOM 0 HD22 ASN A 88 14.648 -3.117 11.124 1.00 0.00 H new ATOM 1332 N THR A 89 13.648 -0.184 7.087 1.00 0.00 N ATOM 1333 CA THR A 89 13.685 0.719 5.991 1.00 0.00 C ATOM 1334 C THR A 89 12.246 1.060 5.541 1.00 0.00 C ATOM 1335 O THR A 89 11.901 2.233 5.402 1.00 0.00 O ATOM 1336 CB THR A 89 14.474 0.090 4.823 1.00 0.00 C ATOM 1337 OG1 THR A 89 15.813 -0.235 5.255 1.00 0.00 O ATOM 1338 CG2 THR A 89 14.542 1.035 3.656 1.00 0.00 C ATOM 0 H THR A 89 14.110 -1.075 6.908 1.00 0.00 H new ATOM 0 HA THR A 89 14.183 1.638 6.300 1.00 0.00 H new ATOM 0 HB THR A 89 13.958 -0.818 4.510 1.00 0.00 H new ATOM 0 HG1 THR A 89 15.772 -0.893 5.980 1.00 0.00 H new ATOM 0 HG21 THR A 89 15.103 0.571 2.844 1.00 0.00 H new ATOM 0 HG22 THR A 89 13.533 1.265 3.315 1.00 0.00 H new ATOM 0 HG23 THR A 89 15.040 1.955 3.961 1.00 0.00 H new ATOM 1346 N LEU A 90 11.393 0.029 5.415 1.00 0.00 N ATOM 1347 CA LEU A 90 10.027 0.217 4.929 1.00 0.00 C ATOM 1348 C LEU A 90 9.240 0.870 6.030 1.00 0.00 C ATOM 1349 O LEU A 90 8.303 1.590 5.794 1.00 0.00 O ATOM 1350 CB LEU A 90 9.374 -1.125 4.550 1.00 0.00 C ATOM 1351 CG LEU A 90 8.296 -1.654 5.509 1.00 0.00 C ATOM 1352 CD1 LEU A 90 6.896 -1.185 5.133 1.00 0.00 C ATOM 1353 CD2 LEU A 90 8.360 -3.122 5.696 1.00 0.00 C ATOM 0 H LEU A 90 11.630 -0.937 5.643 1.00 0.00 H new ATOM 0 HA LEU A 90 10.042 0.836 4.032 1.00 0.00 H new ATOM 0 HB2 LEU A 90 8.930 -1.022 3.560 1.00 0.00 H new ATOM 0 HB3 LEU A 90 10.159 -1.877 4.470 1.00 0.00 H new ATOM 0 HG LEU A 90 8.523 -1.212 6.479 1.00 0.00 H new ATOM 0 HD11 LEU A 90 6.174 -1.588 5.843 1.00 0.00 H new ATOM 0 HD12 LEU A 90 6.859 -0.096 5.156 1.00 0.00 H new ATOM 0 HD13 LEU A 90 6.652 -1.535 4.130 1.00 0.00 H new ATOM 0 HD21 LEU A 90 7.574 -3.436 6.383 1.00 0.00 H new ATOM 0 HD22 LEU A 90 8.221 -3.618 4.735 1.00 0.00 H new ATOM 0 HD23 LEU A 90 9.332 -3.394 6.107 1.00 0.00 H new ATOM 1365 N ASN A 91 9.622 0.555 7.250 1.00 0.00 N ATOM 1366 CA ASN A 91 9.026 1.161 8.417 1.00 0.00 C ATOM 1367 C ASN A 91 9.106 2.705 8.349 1.00 0.00 C ATOM 1368 O ASN A 91 8.149 3.400 8.686 1.00 0.00 O ATOM 1369 CB ASN A 91 9.641 0.615 9.708 1.00 0.00 C ATOM 1370 CG ASN A 91 9.164 -0.790 10.144 1.00 0.00 C ATOM 1371 OD1 ASN A 91 9.088 -1.074 11.339 1.00 0.00 O ATOM 1372 ND2 ASN A 91 8.886 -1.683 9.220 1.00 0.00 N ATOM 0 H ASN A 91 10.352 -0.126 7.458 1.00 0.00 H new ATOM 0 HA ASN A 91 7.970 0.891 8.428 1.00 0.00 H new ATOM 0 HB2 ASN A 91 10.724 0.588 9.588 1.00 0.00 H new ATOM 0 HB3 ASN A 91 9.427 1.316 10.514 1.00 0.00 H new ATOM 0 HD21 ASN A 91 8.603 -2.625 9.490 1.00 0.00 H new ATOM 0 HD22 ASN A 91 8.953 -1.434 8.233 1.00 0.00 H new ATOM 1379 N ASP A 92 10.238 3.223 7.878 1.00 0.00 N ATOM 1380 CA ASP A 92 10.400 4.676 7.627 1.00 0.00 C ATOM 1381 C ASP A 92 9.515 5.097 6.467 1.00 0.00 C ATOM 1382 O ASP A 92 8.959 6.185 6.452 1.00 0.00 O ATOM 1383 CB ASP A 92 11.868 5.011 7.338 1.00 0.00 C ATOM 1384 CG ASP A 92 12.089 6.447 6.882 1.00 0.00 C ATOM 1385 OD1 ASP A 92 12.268 7.351 7.729 1.00 0.00 O ATOM 1386 OD2 ASP A 92 12.118 6.677 5.659 1.00 0.00 O ATOM 0 H ASP A 92 11.065 2.668 7.658 1.00 0.00 H new ATOM 0 HA ASP A 92 10.098 5.226 8.518 1.00 0.00 H new ATOM 0 HB2 ASP A 92 12.457 4.830 8.237 1.00 0.00 H new ATOM 0 HB3 ASP A 92 12.242 4.334 6.570 1.00 0.00 H new ATOM 1391 N TRP A 93 9.367 4.196 5.525 1.00 0.00 N ATOM 1392 CA TRP A 93 8.507 4.375 4.378 1.00 0.00 C ATOM 1393 C TRP A 93 7.047 4.486 4.754 1.00 0.00 C ATOM 1394 O TRP A 93 6.299 5.208 4.099 1.00 0.00 O ATOM 1395 CB TRP A 93 8.756 3.297 3.351 1.00 0.00 C ATOM 1396 CG TRP A 93 9.967 3.530 2.484 1.00 0.00 C ATOM 1397 CD1 TRP A 93 11.240 3.126 2.727 1.00 0.00 C ATOM 1398 CD2 TRP A 93 10.009 4.225 1.227 1.00 0.00 C ATOM 1399 NE1 TRP A 93 12.074 3.532 1.718 1.00 0.00 N ATOM 1400 CE2 TRP A 93 11.345 4.200 0.781 1.00 0.00 C ATOM 1401 CE3 TRP A 93 9.052 4.864 0.441 1.00 0.00 C ATOM 1402 CZ2 TRP A 93 11.742 4.785 -0.418 1.00 0.00 C ATOM 1403 CZ3 TRP A 93 9.447 5.443 -0.745 1.00 0.00 C ATOM 1404 CH2 TRP A 93 10.781 5.401 -1.166 1.00 0.00 C ATOM 0 H TRP A 93 9.851 3.298 5.534 1.00 0.00 H new ATOM 0 HA TRP A 93 8.764 5.332 3.924 1.00 0.00 H new ATOM 0 HB2 TRP A 93 8.870 2.342 3.865 1.00 0.00 H new ATOM 0 HB3 TRP A 93 7.877 3.212 2.711 1.00 0.00 H new ATOM 0 HD1 TRP A 93 11.552 2.563 3.594 1.00 0.00 H new ATOM 0 HE1 TRP A 93 13.079 3.361 1.676 1.00 0.00 H new ATOM 0 HE3 TRP A 93 8.020 4.905 0.756 1.00 0.00 H new ATOM 0 HZ2 TRP A 93 12.771 4.753 -0.744 1.00 0.00 H new ATOM 0 HZ3 TRP A 93 8.713 5.939 -1.362 1.00 0.00 H new ATOM 0 HH2 TRP A 93 11.055 5.865 -2.102 1.00 0.00 H new ATOM 1415 N GLU A 94 6.639 3.792 5.814 1.00 0.00 N ATOM 1416 CA GLU A 94 5.288 3.936 6.335 1.00 0.00 C ATOM 1417 C GLU A 94 5.060 5.385 6.643 1.00 0.00 C ATOM 1418 O GLU A 94 4.156 5.992 6.141 1.00 0.00 O ATOM 1419 CB GLU A 94 5.103 3.154 7.631 1.00 0.00 C ATOM 1420 CG GLU A 94 5.276 1.671 7.519 1.00 0.00 C ATOM 1421 CD GLU A 94 5.050 0.976 8.837 1.00 0.00 C ATOM 1422 OE1 GLU A 94 3.882 0.637 9.140 1.00 0.00 O ATOM 1423 OE2 GLU A 94 6.017 0.768 9.611 1.00 0.00 O ATOM 0 H GLU A 94 7.223 3.129 6.324 1.00 0.00 H new ATOM 0 HA GLU A 94 4.588 3.557 5.590 1.00 0.00 H new ATOM 0 HB2 GLU A 94 5.814 3.531 8.367 1.00 0.00 H new ATOM 0 HB3 GLU A 94 4.105 3.358 8.019 1.00 0.00 H new ATOM 0 HG2 GLU A 94 4.579 1.279 6.778 1.00 0.00 H new ATOM 0 HG3 GLU A 94 6.281 1.449 7.160 1.00 0.00 H new ATOM 1430 N THR A 95 5.957 5.913 7.428 1.00 0.00 N ATOM 1431 CA THR A 95 5.977 7.276 7.935 1.00 0.00 C ATOM 1432 C THR A 95 5.875 8.337 6.812 1.00 0.00 C ATOM 1433 O THR A 95 5.381 9.457 7.022 1.00 0.00 O ATOM 1434 CB THR A 95 7.298 7.441 8.684 1.00 0.00 C ATOM 1435 OG1 THR A 95 7.409 6.327 9.595 1.00 0.00 O ATOM 1436 CG2 THR A 95 7.328 8.731 9.485 1.00 0.00 C ATOM 0 H THR A 95 6.755 5.371 7.760 1.00 0.00 H new ATOM 0 HA THR A 95 5.111 7.435 8.578 1.00 0.00 H new ATOM 0 HB THR A 95 8.120 7.474 7.969 1.00 0.00 H new ATOM 0 HG1 THR A 95 6.513 6.018 9.845 1.00 0.00 H new ATOM 0 HG21 THR A 95 8.283 8.815 10.005 1.00 0.00 H new ATOM 0 HG22 THR A 95 7.205 9.580 8.812 1.00 0.00 H new ATOM 0 HG23 THR A 95 6.518 8.726 10.214 1.00 0.00 H new ATOM 1444 N LYS A 96 6.312 7.968 5.641 1.00 0.00 N ATOM 1445 CA LYS A 96 6.323 8.846 4.499 1.00 0.00 C ATOM 1446 C LYS A 96 4.922 8.964 3.969 1.00 0.00 C ATOM 1447 O LYS A 96 4.481 10.014 3.546 1.00 0.00 O ATOM 1448 CB LYS A 96 7.280 8.280 3.475 1.00 0.00 C ATOM 1449 CG LYS A 96 8.682 8.140 4.040 1.00 0.00 C ATOM 1450 CD LYS A 96 9.344 9.481 4.255 1.00 0.00 C ATOM 1451 CE LYS A 96 10.714 9.317 4.867 1.00 0.00 C ATOM 1452 NZ LYS A 96 11.421 10.601 4.996 1.00 0.00 N ATOM 0 H LYS A 96 6.677 7.035 5.447 1.00 0.00 H new ATOM 0 HA LYS A 96 6.663 9.848 4.762 1.00 0.00 H new ATOM 0 HB2 LYS A 96 6.922 7.306 3.141 1.00 0.00 H new ATOM 0 HB3 LYS A 96 7.303 8.929 2.599 1.00 0.00 H new ATOM 0 HG2 LYS A 96 8.639 7.601 4.987 1.00 0.00 H new ATOM 0 HG3 LYS A 96 9.288 7.542 3.360 1.00 0.00 H new ATOM 0 HD2 LYS A 96 9.428 10.006 3.303 1.00 0.00 H new ATOM 0 HD3 LYS A 96 8.723 10.097 4.905 1.00 0.00 H new ATOM 0 HE2 LYS A 96 10.618 8.856 5.850 1.00 0.00 H new ATOM 0 HE3 LYS A 96 11.306 8.638 4.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 12.357 10.441 5.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 11.536 11.030 4.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 10.870 11.241 5.603 1.00 0.00 H new ATOM 1466 N PHE A 97 4.230 7.876 4.041 1.00 0.00 N ATOM 1467 CA PHE A 97 2.860 7.802 3.663 1.00 0.00 C ATOM 1468 C PHE A 97 1.969 8.275 4.811 1.00 0.00 C ATOM 1469 O PHE A 97 1.016 9.001 4.603 1.00 0.00 O ATOM 1470 CB PHE A 97 2.518 6.375 3.264 1.00 0.00 C ATOM 1471 CG PHE A 97 3.060 5.944 1.923 1.00 0.00 C ATOM 1472 CD1 PHE A 97 4.405 5.662 1.745 1.00 0.00 C ATOM 1473 CD2 PHE A 97 2.208 5.806 0.845 1.00 0.00 C ATOM 1474 CE1 PHE A 97 4.886 5.254 0.517 1.00 0.00 C ATOM 1475 CE2 PHE A 97 2.683 5.399 -0.383 1.00 0.00 C ATOM 1476 CZ PHE A 97 4.023 5.123 -0.549 1.00 0.00 C ATOM 0 H PHE A 97 4.613 6.991 4.373 1.00 0.00 H new ATOM 0 HA PHE A 97 2.685 8.455 2.808 1.00 0.00 H new ATOM 0 HB2 PHE A 97 2.899 5.698 4.028 1.00 0.00 H new ATOM 0 HB3 PHE A 97 1.434 6.266 3.254 1.00 0.00 H new ATOM 0 HD1 PHE A 97 5.086 5.763 2.578 1.00 0.00 H new ATOM 0 HD2 PHE A 97 1.156 6.020 0.966 1.00 0.00 H new ATOM 0 HE1 PHE A 97 5.937 5.038 0.392 1.00 0.00 H new ATOM 0 HE2 PHE A 97 2.004 5.296 -1.217 1.00 0.00 H new ATOM 0 HZ PHE A 97 4.395 4.805 -1.512 1.00 0.00 H new ATOM 1486 N GLU A 98 2.335 7.885 6.021 1.00 0.00 N ATOM 1487 CA GLU A 98 1.606 8.206 7.258 1.00 0.00 C ATOM 1488 C GLU A 98 1.390 9.711 7.466 1.00 0.00 C ATOM 1489 O GLU A 98 0.430 10.116 8.115 1.00 0.00 O ATOM 1490 CB GLU A 98 2.350 7.631 8.475 1.00 0.00 C ATOM 1491 CG GLU A 98 2.392 6.113 8.590 1.00 0.00 C ATOM 1492 CD GLU A 98 3.098 5.682 9.859 1.00 0.00 C ATOM 1493 OE1 GLU A 98 4.340 5.605 9.890 1.00 0.00 O ATOM 1494 OE2 GLU A 98 2.407 5.421 10.861 1.00 0.00 O ATOM 0 H GLU A 98 3.169 7.321 6.185 1.00 0.00 H new ATOM 0 HA GLU A 98 0.621 7.750 7.157 1.00 0.00 H new ATOM 0 HB2 GLU A 98 3.375 8.000 8.454 1.00 0.00 H new ATOM 0 HB3 GLU A 98 1.886 8.029 9.378 1.00 0.00 H new ATOM 0 HG2 GLU A 98 1.377 5.716 8.582 1.00 0.00 H new ATOM 0 HG3 GLU A 98 2.905 5.694 7.724 1.00 0.00 H new ATOM 1501 N ALA A 99 2.261 10.527 6.915 1.00 0.00 N ATOM 1502 CA ALA A 99 2.166 11.962 7.114 1.00 0.00 C ATOM 1503 C ALA A 99 1.563 12.656 5.906 1.00 0.00 C ATOM 1504 O ALA A 99 1.215 13.845 5.959 1.00 0.00 O ATOM 1505 CB ALA A 99 3.534 12.537 7.414 1.00 0.00 C ATOM 0 H ALA A 99 3.040 10.227 6.329 1.00 0.00 H new ATOM 0 HA ALA A 99 1.505 12.137 7.963 1.00 0.00 H new ATOM 0 HB1 ALA A 99 3.452 13.614 7.562 1.00 0.00 H new ATOM 0 HB2 ALA A 99 3.932 12.076 8.318 1.00 0.00 H new ATOM 0 HB3 ALA A 99 4.205 12.336 6.579 1.00 0.00 H new ATOM 1511 N LYS A 100 1.413 11.928 4.831 1.00 0.00 N ATOM 1512 CA LYS A 100 0.949 12.511 3.601 1.00 0.00 C ATOM 1513 C LYS A 100 -0.415 12.017 3.218 1.00 0.00 C ATOM 1514 O LYS A 100 -1.185 12.739 2.587 1.00 0.00 O ATOM 1515 CB LYS A 100 1.927 12.257 2.443 1.00 0.00 C ATOM 1516 CG LYS A 100 3.166 13.141 2.381 1.00 0.00 C ATOM 1517 CD LYS A 100 4.100 12.999 3.551 1.00 0.00 C ATOM 1518 CE LYS A 100 5.292 13.909 3.369 1.00 0.00 C ATOM 1519 NZ LYS A 100 6.068 13.585 2.146 1.00 0.00 N ATOM 0 H LYS A 100 1.606 10.928 4.783 1.00 0.00 H new ATOM 0 HA LYS A 100 0.889 13.584 3.784 1.00 0.00 H new ATOM 0 HB2 LYS A 100 2.254 11.218 2.496 1.00 0.00 H new ATOM 0 HB3 LYS A 100 1.381 12.372 1.507 1.00 0.00 H new ATOM 0 HG2 LYS A 100 3.714 12.912 1.467 1.00 0.00 H new ATOM 0 HG3 LYS A 100 2.850 14.182 2.311 1.00 0.00 H new ATOM 0 HD2 LYS A 100 3.579 13.248 4.476 1.00 0.00 H new ATOM 0 HD3 LYS A 100 4.431 11.964 3.640 1.00 0.00 H new ATOM 0 HE2 LYS A 100 4.952 14.943 3.317 1.00 0.00 H new ATOM 0 HE3 LYS A 100 5.942 13.831 4.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 7.021 13.993 2.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 6.141 12.553 2.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 5.586 13.982 1.314 1.00 0.00 H new ATOM 1533 N TYR A 101 -0.714 10.808 3.589 1.00 0.00 N ATOM 1534 CA TYR A 101 -1.930 10.176 3.184 1.00 0.00 C ATOM 1535 C TYR A 101 -2.622 9.597 4.395 1.00 0.00 C ATOM 1536 O TYR A 101 -1.960 9.169 5.349 1.00 0.00 O ATOM 1537 CB TYR A 101 -1.600 9.056 2.197 1.00 0.00 C ATOM 1538 CG TYR A 101 -0.685 9.486 1.077 1.00 0.00 C ATOM 1539 CD1 TYR A 101 -1.123 10.318 0.053 1.00 0.00 C ATOM 1540 CD2 TYR A 101 0.636 9.080 1.069 1.00 0.00 C ATOM 1541 CE1 TYR A 101 -0.257 10.724 -0.946 1.00 0.00 C ATOM 1542 CE2 TYR A 101 1.502 9.480 0.086 1.00 0.00 C ATOM 1543 CZ TYR A 101 1.058 10.297 -0.918 1.00 0.00 C ATOM 1544 OH TYR A 101 1.937 10.697 -1.898 1.00 0.00 O ATOM 0 H TYR A 101 -0.118 10.232 4.183 1.00 0.00 H new ATOM 0 HA TYR A 101 -2.588 10.904 2.709 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -1.135 8.232 2.738 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -2.528 8.674 1.770 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -2.150 10.651 0.037 1.00 0.00 H new ATOM 0 HD2 TYR A 101 0.994 8.432 1.856 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -0.604 11.368 -1.740 1.00 0.00 H new ATOM 0 HE2 TYR A 101 2.531 9.152 0.103 1.00 0.00 H new ATOM 0 HH TYR A 101 2.353 9.909 -2.306 1.00 0.00 H new ATOM 1554 N PRO A 102 -3.946 9.598 4.403 1.00 0.00 N ATOM 1555 CA PRO A 102 -4.711 9.037 5.493 1.00 0.00 C ATOM 1556 C PRO A 102 -4.773 7.521 5.402 1.00 0.00 C ATOM 1557 O PRO A 102 -5.025 6.949 4.321 1.00 0.00 O ATOM 1558 CB PRO A 102 -6.099 9.624 5.270 1.00 0.00 C ATOM 1559 CG PRO A 102 -6.193 9.746 3.797 1.00 0.00 C ATOM 1560 CD PRO A 102 -4.825 10.164 3.350 1.00 0.00 C ATOM 0 HA PRO A 102 -4.282 9.264 6.469 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -6.878 8.974 5.669 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -6.209 10.591 5.760 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -6.484 8.800 3.341 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -6.943 10.483 3.510 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -4.583 9.766 2.364 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -4.734 11.248 3.287 1.00 0.00 H new ATOM 1568 N VAL A 103 -4.538 6.868 6.501 1.00 0.00 N ATOM 1569 CA VAL A 103 -4.656 5.451 6.532 1.00 0.00 C ATOM 1570 C VAL A 103 -6.118 5.112 6.811 1.00 0.00 C ATOM 1571 O VAL A 103 -6.596 5.109 7.954 1.00 0.00 O ATOM 1572 CB VAL A 103 -3.626 4.742 7.497 1.00 0.00 C ATOM 1573 CG1 VAL A 103 -3.814 5.019 8.965 1.00 0.00 C ATOM 1574 CG2 VAL A 103 -3.517 3.273 7.238 1.00 0.00 C ATOM 0 H VAL A 103 -4.264 7.298 7.384 1.00 0.00 H new ATOM 0 HA VAL A 103 -4.376 5.042 5.561 1.00 0.00 H new ATOM 0 HB VAL A 103 -2.677 5.213 7.240 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -3.055 4.484 9.536 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -3.719 6.089 9.148 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -4.804 4.684 9.275 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -2.796 2.834 7.928 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -4.490 2.805 7.384 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -3.185 3.108 6.213 1.00 0.00 H new ATOM 1584 N VAL A 104 -6.831 4.905 5.737 1.00 0.00 N ATOM 1585 CA VAL A 104 -8.265 4.742 5.775 1.00 0.00 C ATOM 1586 C VAL A 104 -8.684 3.399 6.333 1.00 0.00 C ATOM 1587 O VAL A 104 -9.761 3.276 6.928 1.00 0.00 O ATOM 1588 CB VAL A 104 -8.923 4.998 4.387 1.00 0.00 C ATOM 1589 CG1 VAL A 104 -8.693 6.438 3.950 1.00 0.00 C ATOM 1590 CG2 VAL A 104 -8.370 4.056 3.336 1.00 0.00 C ATOM 0 H VAL A 104 -6.432 4.844 4.800 1.00 0.00 H new ATOM 0 HA VAL A 104 -8.632 5.505 6.461 1.00 0.00 H new ATOM 0 HB VAL A 104 -9.993 4.815 4.489 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -9.159 6.602 2.978 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -9.133 7.115 4.682 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -7.622 6.629 3.876 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -8.848 4.259 2.378 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -7.294 4.205 3.243 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -8.569 3.025 3.630 1.00 0.00 H new ATOM 1600 N GLY A 105 -7.855 2.403 6.178 1.00 0.00 N ATOM 1601 CA GLY A 105 -8.223 1.136 6.690 1.00 0.00 C ATOM 1602 C GLY A 105 -7.210 0.075 6.470 1.00 0.00 C ATOM 1603 O GLY A 105 -5.998 0.310 6.594 1.00 0.00 O ATOM 0 H GLY A 105 -6.948 2.451 5.713 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -8.409 1.229 7.760 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -9.161 0.828 6.229 1.00 0.00 H new ATOM 1607 N ARG A 106 -7.687 -1.079 6.125 1.00 0.00 N ATOM 1608 CA ARG A 106 -6.859 -2.241 5.979 1.00 0.00 C ATOM 1609 C ARG A 106 -7.129 -2.971 4.735 1.00 0.00 C ATOM 1610 O ARG A 106 -8.184 -2.832 4.135 1.00 0.00 O ATOM 1611 CB ARG A 106 -7.120 -3.237 7.079 1.00 0.00 C ATOM 1612 CG ARG A 106 -8.572 -3.599 7.260 1.00 0.00 C ATOM 1613 CD ARG A 106 -8.675 -4.742 8.203 1.00 0.00 C ATOM 1614 NE ARG A 106 -7.985 -4.492 9.474 1.00 0.00 N ATOM 1615 CZ ARG A 106 -7.990 -5.310 10.531 1.00 0.00 C ATOM 1616 NH1 ARG A 106 -8.742 -6.405 10.539 1.00 0.00 N ATOM 1617 NH2 ARG A 106 -7.260 -5.011 11.587 1.00 0.00 N ATOM 0 H ARG A 106 -8.675 -1.246 5.934 1.00 0.00 H new ATOM 0 HA ARG A 106 -5.838 -1.860 5.996 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -6.555 -4.146 6.871 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -6.739 -2.832 8.017 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -9.128 -2.744 7.644 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -9.016 -3.862 6.300 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -9.726 -4.951 8.400 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -8.255 -5.632 7.735 1.00 0.00 H new ATOM 0 HE ARG A 106 -7.458 -3.622 9.558 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -9.324 -6.630 9.732 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -8.737 -7.021 11.352 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -6.697 -4.161 11.593 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -7.258 -5.630 12.398 1.00 0.00 H new ATOM 1631 N VAL A 107 -6.179 -3.754 4.357 1.00 0.00 N ATOM 1632 CA VAL A 107 -6.384 -4.711 3.371 1.00 0.00 C ATOM 1633 C VAL A 107 -6.209 -6.061 4.029 1.00 0.00 C ATOM 1634 O VAL A 107 -5.307 -6.261 4.862 1.00 0.00 O ATOM 1635 CB VAL A 107 -5.489 -4.584 2.133 1.00 0.00 C ATOM 1636 CG1 VAL A 107 -4.053 -4.843 2.457 1.00 0.00 C ATOM 1637 CG2 VAL A 107 -5.984 -5.529 1.094 1.00 0.00 C ATOM 0 H VAL A 107 -5.233 -3.734 4.739 1.00 0.00 H new ATOM 0 HA VAL A 107 -7.388 -4.567 2.971 1.00 0.00 H new ATOM 0 HB VAL A 107 -5.540 -3.562 1.758 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -3.452 -4.743 1.553 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -3.712 -4.123 3.201 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -3.946 -5.852 2.854 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -5.358 -5.452 0.205 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -5.943 -6.548 1.480 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -7.013 -5.280 0.836 1.00 0.00 H new ATOM 1647 N VAL A 108 -7.085 -6.932 3.726 1.00 0.00 N ATOM 1648 CA VAL A 108 -7.135 -8.201 4.343 1.00 0.00 C ATOM 1649 C VAL A 108 -7.211 -9.262 3.299 1.00 0.00 C ATOM 1650 O VAL A 108 -7.856 -9.058 2.266 1.00 0.00 O ATOM 1651 CB VAL A 108 -8.425 -8.278 5.220 1.00 0.00 C ATOM 1652 CG1 VAL A 108 -8.428 -7.161 6.154 1.00 0.00 C ATOM 1653 CG2 VAL A 108 -9.657 -8.114 4.401 1.00 0.00 C ATOM 0 H VAL A 108 -7.809 -6.783 3.023 1.00 0.00 H new ATOM 0 HA VAL A 108 -6.244 -8.347 4.953 1.00 0.00 H new ATOM 0 HB VAL A 108 -8.421 -9.250 5.713 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -9.325 -7.205 6.771 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -7.546 -7.217 6.791 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -8.416 -6.223 5.599 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -10.533 -8.173 5.046 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -9.637 -7.144 3.904 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -9.704 -8.904 3.652 1.00 0.00 H new ATOM 1663 N SER A 109 -6.497 -10.329 3.464 1.00 0.00 N ATOM 1664 CA SER A 109 -6.829 -11.448 2.683 1.00 0.00 C ATOM 1665 C SER A 109 -6.506 -12.740 3.410 1.00 0.00 C ATOM 1666 O SER A 109 -7.405 -13.291 4.066 1.00 0.00 O ATOM 1667 CB SER A 109 -6.106 -11.357 1.334 1.00 0.00 C ATOM 1668 OG SER A 109 -4.684 -11.322 1.497 1.00 0.00 O ATOM 1669 OXT SER A 109 -5.329 -13.185 3.370 1.00 0.00 O ATOM 0 H SER A 109 -5.714 -10.438 4.108 1.00 0.00 H new ATOM 0 HA SER A 109 -7.904 -11.453 2.502 1.00 0.00 H new ATOM 0 HB2 SER A 109 -6.381 -12.212 0.716 1.00 0.00 H new ATOM 0 HB3 SER A 109 -6.434 -10.462 0.805 1.00 0.00 H new ATOM 0 HG SER A 109 -4.415 -11.986 2.166 1.00 0.00 H new TER 1675 SER A 109