USER MOD reduce.3.24.130724 H: found=0, std=0, add=1146, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 1144 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 1 MET N :NH3+ -172:sc= 0 (180deg=-0.0687) USER MOD Set 1.2: A 9 THR OG1 : rot 180:sc= -0.182 USER MOD Single : A 1 MET CE :methyl 154:sc= -0.159 (180deg=-1) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc=-0.00726 K(o=-0.0073,f=-1.6!) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.162 USER MOD Single : A 28 SER OG : rot 180:sc= 0.00704 USER MOD Single : A 34 HIS : no HD1:sc= -0.144 X(o=-0.14,f=-0.21) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0.0413 USER MOD Single : A 48 MET CE :methyl 137:sc= -0.181 (180deg=-1.08) USER MOD Single : A 52 HIS : no HD1:sc= -0.638 K(o=-0.64,f=-0.016) USER MOD Single : A 53 ASN : amide:sc= -1.25! C(o=-1.2!,f=-2.3!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 MET CE :methyl -110:sc= -4.52! (180deg=-13.1!) USER MOD Single : A 58 ASN : amide:sc= -0.268 X(o=-0.27,f=-0.28) USER MOD Single : A 59 THR OG1 : rot -170:sc= -1.72! USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 63 ASN : amide:sc= -1.98! X(o=-2!,f=-2.1) USER MOD Single : A 68 TYR OH : rot 151:sc= 0.978 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot 180:sc= -2.81! USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 ASN : amide:sc= -0.0185 K(o=-0.019,f=-1.8!) USER MOD Single : A 89 SER OG : rot 180:sc= -0.522 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot -170:sc= 0.0572 USER MOD Single : A 98 ASN : amide:sc=-0.00743 K(o=-0.0074,f=-1.9!) USER MOD Single : A 101 GLN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 103 GLN : amide:sc= -0.44 K(o=-0.44,f=-1.1) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 108 ASN : amide:sc= -0.407 X(o=-0.41,f=0) USER MOD Single : A 110 LYS NZ :NH3+ -142:sc= 0.527 (180deg=-1.77!) USER MOD Single : A 111 GLN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 MET CE :methyl 154:sc= -0.0508 (180deg=-1.94) USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 TYR OH : rot 180:sc= 0 USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 132 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 140 ASN : amide:sc= -0.503 K(o=-0.5,f=-3.5!) USER MOD Single : A 141 THR OG1 : rot 180:sc= 0 USER MOD Single : A 143 SER OG : rot -110:sc= 0.565 USER MOD Single : A 144 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 101.082 15.538 -4.699 1.00 0.00 N ATOM 2 CA MET A 1 101.142 14.713 -3.456 1.00 0.00 C ATOM 3 C MET A 1 99.733 14.408 -2.943 1.00 0.00 C ATOM 4 O MET A 1 99.475 13.348 -2.408 1.00 0.00 O ATOM 5 CB MET A 1 101.898 15.567 -2.440 1.00 0.00 C ATOM 6 CG MET A 1 102.110 14.755 -1.159 1.00 0.00 C ATOM 7 SD MET A 1 103.070 15.723 0.031 1.00 0.00 S ATOM 8 CE MET A 1 101.799 16.958 0.394 1.00 0.00 C ATOM 0 H1 MET A 1 102.035 15.621 -5.107 1.00 0.00 H new ATOM 0 H2 MET A 1 100.449 15.083 -5.387 1.00 0.00 H new ATOM 0 H3 MET A 1 100.720 16.486 -4.470 1.00 0.00 H new ATOM 0 HA MET A 1 101.631 13.755 -3.632 1.00 0.00 H new ATOM 0 HB2 MET A 1 102.858 15.878 -2.851 1.00 0.00 H new ATOM 0 HB3 MET A 1 101.336 16.475 -2.221 1.00 0.00 H new ATOM 0 HG2 MET A 1 101.147 14.483 -0.727 1.00 0.00 H new ATOM 0 HG3 MET A 1 102.630 13.825 -1.389 1.00 0.00 H new ATOM 0 HE1 MET A 1 101.963 17.367 1.391 1.00 0.00 H new ATOM 0 HE2 MET A 1 101.852 17.761 -0.341 1.00 0.00 H new ATOM 0 HE3 MET A 1 100.815 16.491 0.351 1.00 0.00 H new ATOM 20 N SER A 2 98.816 15.321 -3.106 1.00 0.00 N ATOM 21 CA SER A 2 97.429 15.066 -2.629 1.00 0.00 C ATOM 22 C SER A 2 96.764 13.985 -3.490 1.00 0.00 C ATOM 23 O SER A 2 95.756 13.415 -3.118 1.00 0.00 O ATOM 24 CB SER A 2 96.706 16.399 -2.798 1.00 0.00 C ATOM 25 OG SER A 2 96.725 16.773 -4.169 1.00 0.00 O ATOM 0 H SER A 2 98.966 16.228 -3.547 1.00 0.00 H new ATOM 0 HA SER A 2 97.404 14.713 -1.598 1.00 0.00 H new ATOM 0 HB2 SER A 2 95.678 16.315 -2.446 1.00 0.00 H new ATOM 0 HB3 SER A 2 97.188 17.167 -2.193 1.00 0.00 H new ATOM 0 HG SER A 2 96.260 17.628 -4.281 1.00 0.00 H new ATOM 31 N LYS A 3 97.311 13.711 -4.644 1.00 0.00 N ATOM 32 CA LYS A 3 96.711 12.686 -5.540 1.00 0.00 C ATOM 33 C LYS A 3 97.135 11.279 -5.118 1.00 0.00 C ATOM 34 O LYS A 3 98.263 11.046 -4.733 1.00 0.00 O ATOM 35 CB LYS A 3 97.272 13.022 -6.923 1.00 0.00 C ATOM 36 CG LYS A 3 96.904 14.463 -7.280 1.00 0.00 C ATOM 37 CD LYS A 3 95.384 14.593 -7.366 1.00 0.00 C ATOM 38 CE LYS A 3 95.009 16.035 -7.701 1.00 0.00 C ATOM 39 NZ LYS A 3 93.524 16.029 -7.780 1.00 0.00 N1+ ATOM 0 H LYS A 3 98.154 14.158 -5.005 1.00 0.00 H new ATOM 0 HA LYS A 3 95.621 12.698 -5.513 1.00 0.00 H new ATOM 0 HB2 LYS A 3 98.355 12.899 -6.929 1.00 0.00 H new ATOM 0 HB3 LYS A 3 96.869 12.336 -7.668 1.00 0.00 H new ATOM 0 HG2 LYS A 3 97.296 15.147 -6.528 1.00 0.00 H new ATOM 0 HG3 LYS A 3 97.358 14.741 -8.231 1.00 0.00 H new ATOM 0 HD2 LYS A 3 94.994 13.919 -8.129 1.00 0.00 H new ATOM 0 HD3 LYS A 3 94.930 14.299 -6.419 1.00 0.00 H new ATOM 0 HE2 LYS A 3 95.362 16.725 -6.934 1.00 0.00 H new ATOM 0 HE3 LYS A 3 95.455 16.351 -8.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 93.185 16.985 -8.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 93.219 15.368 -8.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 93.129 15.729 -6.866 1.00 0.00 H new ATOM 53 N ILE A 4 96.230 10.341 -5.192 1.00 0.00 N ATOM 54 CA ILE A 4 96.565 8.943 -4.805 1.00 0.00 C ATOM 55 C ILE A 4 97.533 8.317 -5.820 1.00 0.00 C ATOM 56 O ILE A 4 98.393 7.536 -5.467 1.00 0.00 O ATOM 57 CB ILE A 4 95.220 8.204 -4.784 1.00 0.00 C ATOM 58 CG1 ILE A 4 95.428 6.810 -4.190 1.00 0.00 C ATOM 59 CG2 ILE A 4 94.658 8.080 -6.204 1.00 0.00 C ATOM 60 CD1 ILE A 4 94.072 6.196 -3.836 1.00 0.00 C ATOM 0 H ILE A 4 95.270 10.485 -5.505 1.00 0.00 H new ATOM 0 HA ILE A 4 97.067 8.890 -3.839 1.00 0.00 H new ATOM 0 HB ILE A 4 94.510 8.766 -4.177 1.00 0.00 H new ATOM 0 HG12 ILE A 4 95.952 6.174 -4.904 1.00 0.00 H new ATOM 0 HG13 ILE A 4 96.054 6.873 -3.300 1.00 0.00 H new ATOM 0 HG21 ILE A 4 93.704 7.554 -6.173 1.00 0.00 H new ATOM 0 HG22 ILE A 4 94.510 9.075 -6.625 1.00 0.00 H new ATOM 0 HG23 ILE A 4 95.359 7.523 -6.826 1.00 0.00 H new ATOM 0 HD11 ILE A 4 94.222 5.203 -3.413 1.00 0.00 H new ATOM 0 HD12 ILE A 4 93.565 6.828 -3.107 1.00 0.00 H new ATOM 0 HD13 ILE A 4 93.462 6.119 -4.736 1.00 0.00 H new ATOM 72 N GLU A 5 97.389 8.638 -7.080 1.00 0.00 N ATOM 73 CA GLU A 5 98.294 8.040 -8.106 1.00 0.00 C ATOM 74 C GLU A 5 99.745 8.448 -7.841 1.00 0.00 C ATOM 75 O GLU A 5 100.651 7.645 -7.945 1.00 0.00 O ATOM 76 CB GLU A 5 97.834 8.618 -9.446 1.00 0.00 C ATOM 77 CG GLU A 5 96.432 8.106 -9.789 1.00 0.00 C ATOM 78 CD GLU A 5 95.963 8.732 -11.112 1.00 0.00 C ATOM 79 OE1 GLU A 5 96.741 9.446 -11.728 1.00 0.00 O ATOM 80 OE2 GLU A 5 94.829 8.486 -11.489 1.00 0.00 O1- ATOM 0 H GLU A 5 96.688 9.285 -7.441 1.00 0.00 H new ATOM 0 HA GLU A 5 98.251 6.951 -8.090 1.00 0.00 H new ATOM 0 HB2 GLU A 5 97.830 9.707 -9.399 1.00 0.00 H new ATOM 0 HB3 GLU A 5 98.535 8.336 -10.232 1.00 0.00 H new ATOM 0 HG2 GLU A 5 96.441 7.019 -9.873 1.00 0.00 H new ATOM 0 HG3 GLU A 5 95.736 8.358 -8.989 1.00 0.00 H new ATOM 87 N GLU A 6 99.979 9.687 -7.507 1.00 0.00 N ATOM 88 CA GLU A 6 101.379 10.126 -7.250 1.00 0.00 C ATOM 89 C GLU A 6 101.644 10.183 -5.743 1.00 0.00 C ATOM 90 O GLU A 6 101.204 11.085 -5.058 1.00 0.00 O ATOM 91 CB GLU A 6 101.477 11.521 -7.866 1.00 0.00 C ATOM 92 CG GLU A 6 102.937 11.977 -7.868 1.00 0.00 C ATOM 93 CD GLU A 6 103.051 13.342 -8.554 1.00 0.00 C ATOM 94 OE1 GLU A 6 102.116 13.724 -9.239 1.00 0.00 O1- ATOM 95 OE2 GLU A 6 104.076 13.981 -8.387 1.00 0.00 O ATOM 0 H GLU A 6 99.267 10.410 -7.401 1.00 0.00 H new ATOM 0 HA GLU A 6 102.113 9.442 -7.676 1.00 0.00 H new ATOM 0 HB2 GLU A 6 101.087 11.509 -8.884 1.00 0.00 H new ATOM 0 HB3 GLU A 6 100.866 12.224 -7.299 1.00 0.00 H new ATOM 0 HG2 GLU A 6 103.309 12.041 -6.846 1.00 0.00 H new ATOM 0 HG3 GLU A 6 103.556 11.245 -8.388 1.00 0.00 H new ATOM 102 N PHE A 7 102.354 9.222 -5.220 1.00 0.00 N ATOM 103 CA PHE A 7 102.641 9.211 -3.758 1.00 0.00 C ATOM 104 C PHE A 7 103.469 10.429 -3.353 1.00 0.00 C ATOM 105 O PHE A 7 103.198 11.072 -2.357 1.00 0.00 O ATOM 106 CB PHE A 7 103.416 7.919 -3.527 1.00 0.00 C ATOM 107 CG PHE A 7 102.473 6.770 -3.749 1.00 0.00 C ATOM 108 CD1 PHE A 7 101.587 6.398 -2.735 1.00 0.00 C ATOM 109 CD2 PHE A 7 102.466 6.095 -4.975 1.00 0.00 C ATOM 110 CE1 PHE A 7 100.690 5.347 -2.946 1.00 0.00 C ATOM 111 CE2 PHE A 7 101.571 5.040 -5.185 1.00 0.00 C ATOM 112 CZ PHE A 7 100.682 4.665 -4.170 1.00 0.00 C ATOM 0 H PHE A 7 102.749 8.441 -5.744 1.00 0.00 H new ATOM 0 HA PHE A 7 101.731 9.256 -3.159 1.00 0.00 H new ATOM 0 HB2 PHE A 7 104.263 7.855 -4.210 1.00 0.00 H new ATOM 0 HB3 PHE A 7 103.819 7.892 -2.515 1.00 0.00 H new ATOM 0 HD1 PHE A 7 101.595 6.921 -1.790 1.00 0.00 H new ATOM 0 HD2 PHE A 7 103.150 6.388 -5.758 1.00 0.00 H new ATOM 0 HE1 PHE A 7 100.002 5.060 -2.164 1.00 0.00 H new ATOM 0 HE2 PHE A 7 101.566 4.515 -6.129 1.00 0.00 H new ATOM 0 HZ PHE A 7 99.991 3.851 -4.331 1.00 0.00 H new ATOM 122 N LEU A 8 104.481 10.752 -4.109 1.00 0.00 N ATOM 123 CA LEU A 8 105.321 11.927 -3.749 1.00 0.00 C ATOM 124 C LEU A 8 105.505 12.836 -4.965 1.00 0.00 C ATOM 125 O LEU A 8 105.479 12.386 -6.095 1.00 0.00 O ATOM 126 CB LEU A 8 106.656 11.323 -3.317 1.00 0.00 C ATOM 127 CG LEU A 8 106.445 10.458 -2.077 1.00 0.00 C ATOM 128 CD1 LEU A 8 107.727 9.685 -1.779 1.00 0.00 C ATOM 129 CD2 LEU A 8 106.101 11.351 -0.882 1.00 0.00 C ATOM 0 H LEU A 8 104.761 10.256 -4.955 1.00 0.00 H new ATOM 0 HA LEU A 8 104.875 12.540 -2.966 1.00 0.00 H new ATOM 0 HB2 LEU A 8 107.075 10.723 -4.125 1.00 0.00 H new ATOM 0 HB3 LEU A 8 107.374 12.115 -3.103 1.00 0.00 H new ATOM 0 HG LEU A 8 105.627 9.760 -2.254 1.00 0.00 H new ATOM 0 HD11 LEU A 8 107.581 9.066 -0.894 1.00 0.00 H new ATOM 0 HD12 LEU A 8 107.975 9.050 -2.629 1.00 0.00 H new ATOM 0 HD13 LEU A 8 108.542 10.387 -1.600 1.00 0.00 H new ATOM 0 HD21 LEU A 8 105.950 10.733 0.003 1.00 0.00 H new ATOM 0 HD22 LEU A 8 106.919 12.049 -0.702 1.00 0.00 H new ATOM 0 HD23 LEU A 8 105.189 11.908 -1.095 1.00 0.00 H new ATOM 141 N THR A 9 105.694 14.103 -4.752 1.00 0.00 N ATOM 142 CA THR A 9 105.884 15.026 -5.904 1.00 0.00 C ATOM 143 C THR A 9 107.317 14.914 -6.427 1.00 0.00 C ATOM 144 O THR A 9 108.183 14.371 -5.769 1.00 0.00 O ATOM 145 CB THR A 9 105.638 16.420 -5.332 1.00 0.00 C ATOM 146 OG1 THR A 9 104.394 16.436 -4.650 1.00 0.00 O ATOM 147 CG2 THR A 9 105.617 17.444 -6.465 1.00 0.00 C ATOM 0 H THR A 9 105.726 14.542 -3.832 1.00 0.00 H new ATOM 0 HA THR A 9 105.216 14.800 -6.735 1.00 0.00 H new ATOM 0 HB THR A 9 106.437 16.673 -4.635 1.00 0.00 H new ATOM 0 HG1 THR A 9 104.235 17.330 -4.281 1.00 0.00 H new ATOM 0 HG21 THR A 9 105.441 18.438 -6.054 1.00 0.00 H new ATOM 0 HG22 THR A 9 106.575 17.431 -6.985 1.00 0.00 H new ATOM 0 HG23 THR A 9 104.820 17.195 -7.166 1.00 0.00 H new ATOM 155 N ALA A 10 107.587 15.427 -7.601 1.00 0.00 N ATOM 156 CA ALA A 10 108.982 15.345 -8.141 1.00 0.00 C ATOM 157 C ALA A 10 109.954 15.933 -7.115 1.00 0.00 C ATOM 158 O ALA A 10 111.044 15.439 -6.921 1.00 0.00 O ATOM 159 CB ALA A 10 108.968 16.186 -9.416 1.00 0.00 C ATOM 0 H ALA A 10 106.911 15.895 -8.205 1.00 0.00 H new ATOM 0 HA ALA A 10 109.298 14.322 -8.344 1.00 0.00 H new ATOM 0 HB1 ALA A 10 109.959 16.174 -9.870 1.00 0.00 H new ATOM 0 HB2 ALA A 10 108.243 15.773 -10.117 1.00 0.00 H new ATOM 0 HB3 ALA A 10 108.693 17.212 -9.172 1.00 0.00 H new ATOM 165 N GLU A 11 109.540 16.960 -6.430 1.00 0.00 N ATOM 166 CA GLU A 11 110.407 17.557 -5.382 1.00 0.00 C ATOM 167 C GLU A 11 110.591 16.551 -4.244 1.00 0.00 C ATOM 168 O GLU A 11 111.654 16.444 -3.661 1.00 0.00 O ATOM 169 CB GLU A 11 109.642 18.785 -4.887 1.00 0.00 C ATOM 170 CG GLU A 11 110.443 19.479 -3.779 1.00 0.00 C ATOM 171 CD GLU A 11 109.680 20.713 -3.286 1.00 0.00 C ATOM 172 OE1 GLU A 11 108.765 21.138 -3.975 1.00 0.00 O1- ATOM 173 OE2 GLU A 11 110.024 21.214 -2.229 1.00 0.00 O ATOM 0 H GLU A 11 108.634 17.413 -6.552 1.00 0.00 H new ATOM 0 HA GLU A 11 111.397 17.820 -5.754 1.00 0.00 H new ATOM 0 HB2 GLU A 11 109.470 19.476 -5.712 1.00 0.00 H new ATOM 0 HB3 GLU A 11 108.663 18.489 -4.510 1.00 0.00 H new ATOM 0 HG2 GLU A 11 110.611 18.789 -2.952 1.00 0.00 H new ATOM 0 HG3 GLU A 11 111.423 19.772 -4.155 1.00 0.00 H new ATOM 180 N GLU A 12 109.566 15.805 -3.924 1.00 0.00 N ATOM 181 CA GLU A 12 109.691 14.804 -2.831 1.00 0.00 C ATOM 182 C GLU A 12 110.553 13.624 -3.294 1.00 0.00 C ATOM 183 O GLU A 12 111.476 13.200 -2.622 1.00 0.00 O ATOM 184 CB GLU A 12 108.255 14.353 -2.564 1.00 0.00 C ATOM 185 CG GLU A 12 107.398 15.558 -2.164 1.00 0.00 C ATOM 186 CD GLU A 12 107.940 16.193 -0.883 1.00 0.00 C ATOM 187 OE1 GLU A 12 108.624 15.515 -0.155 1.00 0.00 O ATOM 188 OE2 GLU A 12 107.664 17.359 -0.660 1.00 0.00 O1- ATOM 0 H GLU A 12 108.651 15.848 -4.373 1.00 0.00 H new ATOM 0 HA GLU A 12 110.168 15.209 -1.939 1.00 0.00 H new ATOM 0 HB2 GLU A 12 107.841 13.881 -3.455 1.00 0.00 H new ATOM 0 HB3 GLU A 12 108.240 13.606 -1.771 1.00 0.00 H new ATOM 0 HG2 GLU A 12 107.394 16.293 -2.969 1.00 0.00 H new ATOM 0 HG3 GLU A 12 106.365 15.244 -2.014 1.00 0.00 H new ATOM 195 N GLU A 13 110.261 13.105 -4.453 1.00 0.00 N ATOM 196 CA GLU A 13 111.048 11.964 -5.005 1.00 0.00 C ATOM 197 C GLU A 13 112.476 12.411 -5.319 1.00 0.00 C ATOM 198 O GLU A 13 113.420 11.674 -5.145 1.00 0.00 O ATOM 199 CB GLU A 13 110.322 11.596 -6.298 1.00 0.00 C ATOM 200 CG GLU A 13 108.926 11.060 -5.968 1.00 0.00 C ATOM 201 CD GLU A 13 108.136 10.839 -7.266 1.00 0.00 C ATOM 202 OE1 GLU A 13 108.660 11.148 -8.328 1.00 0.00 O ATOM 203 OE2 GLU A 13 107.017 10.363 -7.178 1.00 0.00 O1- ATOM 0 H GLU A 13 109.500 13.427 -5.051 1.00 0.00 H new ATOM 0 HA GLU A 13 111.118 11.129 -4.308 1.00 0.00 H new ATOM 0 HB2 GLU A 13 110.244 12.470 -6.944 1.00 0.00 H new ATOM 0 HB3 GLU A 13 110.891 10.845 -6.845 1.00 0.00 H new ATOM 0 HG2 GLU A 13 109.007 10.123 -5.416 1.00 0.00 H new ATOM 0 HG3 GLU A 13 108.398 11.764 -5.325 1.00 0.00 H new ATOM 210 N LYS A 14 112.645 13.611 -5.791 1.00 0.00 N ATOM 211 CA LYS A 14 114.015 14.094 -6.122 1.00 0.00 C ATOM 212 C LYS A 14 114.906 14.128 -4.872 1.00 0.00 C ATOM 213 O LYS A 14 116.043 13.702 -4.905 1.00 0.00 O ATOM 214 CB LYS A 14 113.815 15.506 -6.682 1.00 0.00 C ATOM 215 CG LYS A 14 115.162 16.077 -7.129 1.00 0.00 C ATOM 216 CD LYS A 14 114.957 17.478 -7.718 1.00 0.00 C ATOM 217 CE LYS A 14 116.303 18.048 -8.176 1.00 0.00 C ATOM 218 NZ LYS A 14 115.989 19.403 -8.716 1.00 0.00 N1+ ATOM 0 H LYS A 14 111.895 14.280 -5.963 1.00 0.00 H new ATOM 0 HA LYS A 14 114.514 13.436 -6.834 1.00 0.00 H new ATOM 0 HB2 LYS A 14 113.123 15.480 -7.523 1.00 0.00 H new ATOM 0 HB3 LYS A 14 113.370 16.149 -5.923 1.00 0.00 H new ATOM 0 HG2 LYS A 14 115.847 16.124 -6.283 1.00 0.00 H new ATOM 0 HG3 LYS A 14 115.617 15.422 -7.872 1.00 0.00 H new ATOM 0 HD2 LYS A 14 114.266 17.432 -8.559 1.00 0.00 H new ATOM 0 HD3 LYS A 14 114.508 18.134 -6.972 1.00 0.00 H new ATOM 0 HE2 LYS A 14 117.008 18.108 -7.347 1.00 0.00 H new ATOM 0 HE3 LYS A 14 116.760 17.416 -8.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 116.864 19.855 -9.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 115.321 19.315 -9.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 115.562 19.985 -7.967 1.00 0.00 H new ATOM 232 N ALA A 15 114.416 14.645 -3.774 1.00 0.00 N ATOM 233 CA ALA A 15 115.268 14.712 -2.547 1.00 0.00 C ATOM 234 C ALA A 15 115.618 13.310 -2.030 1.00 0.00 C ATOM 235 O ALA A 15 116.742 13.057 -1.639 1.00 0.00 O ATOM 236 CB ALA A 15 114.434 15.475 -1.518 1.00 0.00 C ATOM 0 H ALA A 15 113.473 15.020 -3.673 1.00 0.00 H new ATOM 0 HA ALA A 15 116.219 15.204 -2.750 1.00 0.00 H new ATOM 0 HB1 ALA A 15 114.996 15.564 -0.588 1.00 0.00 H new ATOM 0 HB2 ALA A 15 114.205 16.470 -1.900 1.00 0.00 H new ATOM 0 HB3 ALA A 15 113.505 14.936 -1.331 1.00 0.00 H new ATOM 242 N ILE A 16 114.680 12.397 -2.012 1.00 0.00 N ATOM 243 CA ILE A 16 115.001 11.031 -1.503 1.00 0.00 C ATOM 244 C ILE A 16 115.988 10.320 -2.439 1.00 0.00 C ATOM 245 O ILE A 16 116.863 9.600 -2.002 1.00 0.00 O ATOM 246 CB ILE A 16 113.662 10.290 -1.409 1.00 0.00 C ATOM 247 CG1 ILE A 16 113.890 8.928 -0.753 1.00 0.00 C ATOM 248 CG2 ILE A 16 113.061 10.096 -2.800 1.00 0.00 C ATOM 249 CD1 ILE A 16 112.551 8.339 -0.300 1.00 0.00 C ATOM 0 H ILE A 16 113.719 12.536 -2.323 1.00 0.00 H new ATOM 0 HA ILE A 16 115.489 11.065 -0.529 1.00 0.00 H new ATOM 0 HB ILE A 16 112.968 10.880 -0.810 1.00 0.00 H new ATOM 0 HG12 ILE A 16 114.375 8.252 -1.457 1.00 0.00 H new ATOM 0 HG13 ILE A 16 114.559 9.033 0.101 1.00 0.00 H new ATOM 0 HG21 ILE A 16 112.111 9.568 -2.716 1.00 0.00 H new ATOM 0 HG22 ILE A 16 112.896 11.068 -3.264 1.00 0.00 H new ATOM 0 HG23 ILE A 16 113.747 9.512 -3.414 1.00 0.00 H new ATOM 0 HD11 ILE A 16 112.720 7.369 0.167 1.00 0.00 H new ATOM 0 HD12 ILE A 16 112.083 9.011 0.419 1.00 0.00 H new ATOM 0 HD13 ILE A 16 111.896 8.218 -1.163 1.00 0.00 H new ATOM 261 N VAL A 17 115.867 10.534 -3.720 1.00 0.00 N ATOM 262 CA VAL A 17 116.811 9.897 -4.678 1.00 0.00 C ATOM 263 C VAL A 17 118.208 10.441 -4.399 1.00 0.00 C ATOM 264 O VAL A 17 119.188 9.722 -4.420 1.00 0.00 O ATOM 265 CB VAL A 17 116.314 10.317 -6.060 1.00 0.00 C ATOM 266 CG1 VAL A 17 117.244 9.765 -7.137 1.00 0.00 C ATOM 267 CG2 VAL A 17 114.902 9.773 -6.282 1.00 0.00 C ATOM 0 H VAL A 17 115.152 11.125 -4.145 1.00 0.00 H new ATOM 0 HA VAL A 17 116.856 8.811 -4.598 1.00 0.00 H new ATOM 0 HB VAL A 17 116.301 11.405 -6.119 1.00 0.00 H new ATOM 0 HG11 VAL A 17 116.883 10.069 -8.120 1.00 0.00 H new ATOM 0 HG12 VAL A 17 118.250 10.155 -6.984 1.00 0.00 H new ATOM 0 HG13 VAL A 17 117.264 8.677 -7.078 1.00 0.00 H new ATOM 0 HG21 VAL A 17 114.547 10.073 -7.268 1.00 0.00 H new ATOM 0 HG22 VAL A 17 114.917 8.685 -6.217 1.00 0.00 H new ATOM 0 HG23 VAL A 17 114.234 10.173 -5.519 1.00 0.00 H new ATOM 277 N ASP A 18 118.305 11.715 -4.141 1.00 0.00 N ATOM 278 CA ASP A 18 119.638 12.310 -3.856 1.00 0.00 C ATOM 279 C ASP A 18 120.223 11.680 -2.591 1.00 0.00 C ATOM 280 O ASP A 18 121.410 11.447 -2.493 1.00 0.00 O ATOM 281 CB ASP A 18 119.393 13.809 -3.678 1.00 0.00 C ATOM 282 CG ASP A 18 119.390 14.505 -5.044 1.00 0.00 C ATOM 283 OD1 ASP A 18 119.748 13.867 -6.021 1.00 0.00 O ATOM 284 OD2 ASP A 18 119.024 15.668 -5.090 1.00 0.00 O1- ATOM 0 H ASP A 18 117.521 12.367 -4.115 1.00 0.00 H new ATOM 0 HA ASP A 18 120.356 12.131 -4.657 1.00 0.00 H new ATOM 0 HB2 ASP A 18 118.440 13.973 -3.175 1.00 0.00 H new ATOM 0 HB3 ASP A 18 120.167 14.240 -3.043 1.00 0.00 H new ATOM 289 N ALA A 19 119.392 11.389 -1.624 1.00 0.00 N ATOM 290 CA ALA A 19 119.903 10.759 -0.373 1.00 0.00 C ATOM 291 C ALA A 19 120.516 9.397 -0.705 1.00 0.00 C ATOM 292 O ALA A 19 121.522 9.004 -0.148 1.00 0.00 O ATOM 293 CB ALA A 19 118.675 10.600 0.529 1.00 0.00 C ATOM 0 H ALA A 19 118.387 11.560 -1.647 1.00 0.00 H new ATOM 0 HA ALA A 19 120.677 11.353 0.113 1.00 0.00 H new ATOM 0 HB1 ALA A 19 118.973 10.141 1.472 1.00 0.00 H new ATOM 0 HB2 ALA A 19 118.238 11.579 0.724 1.00 0.00 H new ATOM 0 HB3 ALA A 19 117.939 9.966 0.034 1.00 0.00 H new ATOM 299 N ILE A 20 119.914 8.675 -1.611 1.00 0.00 N ATOM 300 CA ILE A 20 120.456 7.339 -1.990 1.00 0.00 C ATOM 301 C ILE A 20 121.841 7.497 -2.629 1.00 0.00 C ATOM 302 O ILE A 20 122.762 6.762 -2.332 1.00 0.00 O ATOM 303 CB ILE A 20 119.447 6.779 -2.992 1.00 0.00 C ATOM 304 CG1 ILE A 20 118.119 6.527 -2.274 1.00 0.00 C ATOM 305 CG2 ILE A 20 119.970 5.463 -3.569 1.00 0.00 C ATOM 306 CD1 ILE A 20 118.324 5.519 -1.139 1.00 0.00 C ATOM 0 H ILE A 20 119.067 8.954 -2.107 1.00 0.00 H new ATOM 0 HA ILE A 20 120.582 6.677 -1.134 1.00 0.00 H new ATOM 0 HB ILE A 20 119.301 7.493 -3.802 1.00 0.00 H new ATOM 0 HG12 ILE A 20 117.728 7.463 -1.875 1.00 0.00 H new ATOM 0 HG13 ILE A 20 117.380 6.148 -2.980 1.00 0.00 H new ATOM 0 HG21 ILE A 20 119.248 5.066 -4.283 1.00 0.00 H new ATOM 0 HG22 ILE A 20 120.920 5.639 -4.073 1.00 0.00 H new ATOM 0 HG23 ILE A 20 120.115 4.744 -2.762 1.00 0.00 H new ATOM 0 HD11 ILE A 20 117.375 5.344 -0.632 1.00 0.00 H new ATOM 0 HD12 ILE A 20 118.695 4.580 -1.549 1.00 0.00 H new ATOM 0 HD13 ILE A 20 119.048 5.915 -0.427 1.00 0.00 H new ATOM 318 N ARG A 21 121.994 8.459 -3.497 1.00 0.00 N ATOM 319 CA ARG A 21 123.321 8.675 -4.145 1.00 0.00 C ATOM 320 C ARG A 21 124.378 8.967 -3.078 1.00 0.00 C ATOM 321 O ARG A 21 125.495 8.495 -3.146 1.00 0.00 O ATOM 322 CB ARG A 21 123.133 9.910 -5.028 1.00 0.00 C ATOM 323 CG ARG A 21 122.260 9.565 -6.236 1.00 0.00 C ATOM 324 CD ARG A 21 122.043 10.828 -7.075 1.00 0.00 C ATOM 325 NE ARG A 21 121.230 10.387 -8.241 1.00 0.00 N ATOM 326 CZ ARG A 21 121.821 10.037 -9.350 1.00 0.00 C ATOM 327 NH1 ARG A 21 122.557 10.901 -9.995 1.00 0.00 N1+ ATOM 328 NH2 ARG A 21 121.678 8.825 -9.812 1.00 0.00 N ATOM 0 H ARG A 21 121.259 9.105 -3.786 1.00 0.00 H new ATOM 0 HA ARG A 21 123.649 7.803 -4.711 1.00 0.00 H new ATOM 0 HB2 ARG A 21 122.670 10.711 -4.452 1.00 0.00 H new ATOM 0 HB3 ARG A 21 124.103 10.278 -5.364 1.00 0.00 H new ATOM 0 HG2 ARG A 21 122.739 8.792 -6.837 1.00 0.00 H new ATOM 0 HG3 ARG A 21 121.302 9.164 -5.905 1.00 0.00 H new ATOM 0 HD2 ARG A 21 121.525 11.597 -6.502 1.00 0.00 H new ATOM 0 HD3 ARG A 21 122.993 11.255 -7.396 1.00 0.00 H new ATOM 0 HE ARG A 21 120.213 10.358 -8.173 1.00 0.00 H new ATOM 0 HH11 ARG A 21 122.669 11.847 -9.632 1.00 0.00 H new ATOM 0 HH12 ARG A 21 123.020 10.630 -10.862 1.00 0.00 H new ATOM 0 HH21 ARG A 21 121.104 8.151 -9.306 1.00 0.00 H new ATOM 0 HH22 ARG A 21 122.140 8.552 -10.679 1.00 0.00 H new ATOM 342 N ASP A 22 124.035 9.761 -2.100 1.00 0.00 N ATOM 343 CA ASP A 22 125.021 10.102 -1.035 1.00 0.00 C ATOM 344 C ASP A 22 125.429 8.857 -0.237 1.00 0.00 C ATOM 345 O ASP A 22 126.571 8.713 0.149 1.00 0.00 O ATOM 346 CB ASP A 22 124.297 11.104 -0.129 1.00 0.00 C ATOM 347 CG ASP A 22 124.439 12.522 -0.696 1.00 0.00 C ATOM 348 OD1 ASP A 22 125.156 12.689 -1.672 1.00 0.00 O1- ATOM 349 OD2 ASP A 22 123.824 13.420 -0.145 1.00 0.00 O ATOM 0 H ASP A 22 123.115 10.188 -1.993 1.00 0.00 H new ATOM 0 HA ASP A 22 125.940 10.511 -1.455 1.00 0.00 H new ATOM 0 HB2 ASP A 22 123.243 10.839 -0.050 1.00 0.00 H new ATOM 0 HB3 ASP A 22 124.713 11.063 0.878 1.00 0.00 H new ATOM 354 N ALA A 23 124.510 7.964 0.025 1.00 0.00 N ATOM 355 CA ALA A 23 124.875 6.744 0.817 1.00 0.00 C ATOM 356 C ALA A 23 125.838 5.859 0.022 1.00 0.00 C ATOM 357 O ALA A 23 126.795 5.328 0.555 1.00 0.00 O ATOM 358 CB ALA A 23 123.566 6.007 1.089 1.00 0.00 C ATOM 0 H ALA A 23 123.535 8.021 -0.269 1.00 0.00 H new ATOM 0 HA ALA A 23 125.379 7.009 1.746 1.00 0.00 H new ATOM 0 HB1 ALA A 23 123.769 5.105 1.666 1.00 0.00 H new ATOM 0 HB2 ALA A 23 122.894 6.654 1.653 1.00 0.00 H new ATOM 0 HB3 ALA A 23 123.098 5.735 0.143 1.00 0.00 H new ATOM 364 N GLU A 24 125.611 5.706 -1.256 1.00 0.00 N ATOM 365 CA GLU A 24 126.530 4.866 -2.081 1.00 0.00 C ATOM 366 C GLU A 24 127.959 5.427 -2.053 1.00 0.00 C ATOM 367 O GLU A 24 128.907 4.747 -2.396 1.00 0.00 O ATOM 368 CB GLU A 24 125.952 4.916 -3.493 1.00 0.00 C ATOM 369 CG GLU A 24 126.796 4.040 -4.419 1.00 0.00 C ATOM 370 CD GLU A 24 126.659 2.567 -4.011 1.00 0.00 C ATOM 371 OE1 GLU A 24 125.863 2.277 -3.131 1.00 0.00 O1- ATOM 372 OE2 GLU A 24 127.362 1.752 -4.581 1.00 0.00 O ATOM 0 H GLU A 24 124.832 6.125 -1.764 1.00 0.00 H new ATOM 0 HA GLU A 24 126.597 3.845 -1.704 1.00 0.00 H new ATOM 0 HB2 GLU A 24 124.919 4.568 -3.487 1.00 0.00 H new ATOM 0 HB3 GLU A 24 125.941 5.943 -3.857 1.00 0.00 H new ATOM 0 HG2 GLU A 24 126.474 4.172 -5.452 1.00 0.00 H new ATOM 0 HG3 GLU A 24 127.841 4.345 -4.369 1.00 0.00 H new ATOM 379 N LYS A 25 128.134 6.645 -1.604 1.00 0.00 N ATOM 380 CA LYS A 25 129.502 7.200 -1.509 1.00 0.00 C ATOM 381 C LYS A 25 130.050 6.978 -0.082 1.00 0.00 C ATOM 382 O LYS A 25 131.190 7.286 0.211 1.00 0.00 O ATOM 383 CB LYS A 25 129.337 8.684 -1.827 1.00 0.00 C ATOM 384 CG LYS A 25 128.785 8.825 -3.247 1.00 0.00 C ATOM 385 CD LYS A 25 128.339 10.269 -3.490 1.00 0.00 C ATOM 386 CE LYS A 25 129.557 11.143 -3.796 1.00 0.00 C ATOM 387 NZ LYS A 25 128.989 12.427 -4.302 1.00 0.00 N1+ ATOM 0 H LYS A 25 127.387 7.270 -1.302 1.00 0.00 H new ATOM 0 HA LYS A 25 130.210 6.727 -2.189 1.00 0.00 H new ATOM 0 HB2 LYS A 25 128.660 9.151 -1.111 1.00 0.00 H new ATOM 0 HB3 LYS A 25 130.295 9.197 -1.742 1.00 0.00 H new ATOM 0 HG2 LYS A 25 129.548 8.543 -3.973 1.00 0.00 H new ATOM 0 HG3 LYS A 25 127.944 8.146 -3.389 1.00 0.00 H new ATOM 0 HD2 LYS A 25 127.635 10.307 -4.321 1.00 0.00 H new ATOM 0 HD3 LYS A 25 127.817 10.651 -2.612 1.00 0.00 H new ATOM 0 HE2 LYS A 25 130.163 11.303 -2.904 1.00 0.00 H new ATOM 0 HE3 LYS A 25 130.202 10.676 -4.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 129.763 13.081 -4.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 128.423 12.244 -5.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 128.385 12.852 -3.570 1.00 0.00 H new ATOM 401 N ASN A 26 129.250 6.418 0.802 1.00 0.00 N ATOM 402 CA ASN A 26 129.710 6.141 2.184 1.00 0.00 C ATOM 403 C ASN A 26 129.863 4.624 2.399 1.00 0.00 C ATOM 404 O ASN A 26 130.486 4.184 3.347 1.00 0.00 O ATOM 405 CB ASN A 26 128.598 6.700 3.070 1.00 0.00 C ATOM 406 CG ASN A 26 128.608 8.228 2.972 1.00 0.00 C ATOM 407 OD1 ASN A 26 129.606 8.816 2.604 1.00 0.00 O ATOM 408 ND2 ASN A 26 127.533 8.903 3.280 1.00 0.00 N ATOM 0 H ASN A 26 128.287 6.142 0.610 1.00 0.00 H new ATOM 0 HA ASN A 26 130.680 6.588 2.404 1.00 0.00 H new ATOM 0 HB2 ASN A 26 127.631 6.308 2.754 1.00 0.00 H new ATOM 0 HB3 ASN A 26 128.746 6.387 4.104 1.00 0.00 H new ATOM 0 HD21 ASN A 26 127.533 9.921 3.211 1.00 0.00 H new ATOM 0 HD22 ASN A 26 126.694 8.412 3.589 1.00 0.00 H new ATOM 415 N THR A 27 129.324 3.821 1.511 1.00 0.00 N ATOM 416 CA THR A 27 129.467 2.340 1.646 1.00 0.00 C ATOM 417 C THR A 27 129.415 1.679 0.260 1.00 0.00 C ATOM 418 O THR A 27 128.868 2.221 -0.679 1.00 0.00 O ATOM 419 CB THR A 27 128.290 1.876 2.519 1.00 0.00 C ATOM 420 OG1 THR A 27 128.232 0.446 2.540 1.00 0.00 O ATOM 421 CG2 THR A 27 126.971 2.422 1.967 1.00 0.00 C ATOM 0 H THR A 27 128.791 4.130 0.698 1.00 0.00 H new ATOM 0 HA THR A 27 130.420 2.064 2.098 1.00 0.00 H new ATOM 0 HB THR A 27 128.441 2.253 3.531 1.00 0.00 H new ATOM 0 HG1 THR A 27 127.481 0.157 3.099 1.00 0.00 H new ATOM 0 HG21 THR A 27 126.146 2.085 2.595 1.00 0.00 H new ATOM 0 HG22 THR A 27 127.002 3.512 1.962 1.00 0.00 H new ATOM 0 HG23 THR A 27 126.824 2.059 0.950 1.00 0.00 H new ATOM 429 N SER A 28 129.950 0.490 0.141 1.00 0.00 N ATOM 430 CA SER A 28 129.905 -0.227 -1.162 1.00 0.00 C ATOM 431 C SER A 28 128.594 -1.023 -1.278 1.00 0.00 C ATOM 432 O SER A 28 128.282 -1.570 -2.318 1.00 0.00 O ATOM 433 CB SER A 28 131.105 -1.170 -1.135 1.00 0.00 C ATOM 434 OG SER A 28 130.962 -2.075 -0.048 1.00 0.00 O ATOM 0 H SER A 28 130.417 -0.014 0.895 1.00 0.00 H new ATOM 0 HA SER A 28 129.942 0.453 -2.013 1.00 0.00 H new ATOM 0 HB2 SER A 28 131.173 -1.719 -2.074 1.00 0.00 H new ATOM 0 HB3 SER A 28 132.028 -0.600 -1.031 1.00 0.00 H new ATOM 0 HG SER A 28 131.729 -2.684 -0.027 1.00 0.00 H new ATOM 440 N GLY A 29 127.821 -1.096 -0.218 1.00 0.00 N ATOM 441 CA GLY A 29 126.548 -1.852 -0.272 1.00 0.00 C ATOM 442 C GLY A 29 125.534 -1.090 -1.121 1.00 0.00 C ATOM 443 O GLY A 29 125.770 0.028 -1.535 1.00 0.00 O ATOM 0 H GLY A 29 128.026 -0.660 0.681 1.00 0.00 H new ATOM 0 HA2 GLY A 29 126.719 -2.842 -0.694 1.00 0.00 H new ATOM 0 HA3 GLY A 29 126.157 -1.998 0.735 1.00 0.00 H new ATOM 447 N GLU A 30 124.412 -1.688 -1.391 1.00 0.00 N ATOM 448 CA GLU A 30 123.389 -0.990 -2.226 1.00 0.00 C ATOM 449 C GLU A 30 122.003 -1.057 -1.577 1.00 0.00 C ATOM 450 O GLU A 30 121.579 -2.078 -1.075 1.00 0.00 O ATOM 451 CB GLU A 30 123.398 -1.713 -3.574 1.00 0.00 C ATOM 452 CG GLU A 30 124.714 -1.427 -4.307 1.00 0.00 C ATOM 453 CD GLU A 30 125.774 -2.462 -3.904 1.00 0.00 C ATOM 454 OE1 GLU A 30 125.494 -3.275 -3.036 1.00 0.00 O1- ATOM 455 OE2 GLU A 30 126.848 -2.430 -4.478 1.00 0.00 O ATOM 0 H GLU A 30 124.155 -2.623 -1.075 1.00 0.00 H new ATOM 0 HA GLU A 30 123.620 0.070 -2.335 1.00 0.00 H new ATOM 0 HB2 GLU A 30 123.281 -2.786 -3.422 1.00 0.00 H new ATOM 0 HB3 GLU A 30 122.554 -1.383 -4.180 1.00 0.00 H new ATOM 0 HG2 GLU A 30 124.554 -1.459 -5.385 1.00 0.00 H new ATOM 0 HG3 GLU A 30 125.064 -0.423 -4.066 1.00 0.00 H new ATOM 462 N ILE A 31 121.306 0.047 -1.588 1.00 0.00 N ATOM 463 CA ILE A 31 119.945 0.112 -0.980 1.00 0.00 C ATOM 464 C ILE A 31 118.920 0.559 -2.032 1.00 0.00 C ATOM 465 O ILE A 31 119.144 1.501 -2.765 1.00 0.00 O ATOM 466 CB ILE A 31 120.071 1.152 0.132 1.00 0.00 C ATOM 467 CG1 ILE A 31 121.037 0.635 1.203 1.00 0.00 C ATOM 468 CG2 ILE A 31 118.700 1.398 0.760 1.00 0.00 C ATOM 469 CD1 ILE A 31 121.385 1.765 2.173 1.00 0.00 C ATOM 0 H ILE A 31 121.628 0.923 -2.000 1.00 0.00 H new ATOM 0 HA ILE A 31 119.605 -0.852 -0.601 1.00 0.00 H new ATOM 0 HB ILE A 31 120.451 2.085 -0.284 1.00 0.00 H new ATOM 0 HG12 ILE A 31 120.584 -0.195 1.745 1.00 0.00 H new ATOM 0 HG13 ILE A 31 121.944 0.253 0.734 1.00 0.00 H new ATOM 0 HG21 ILE A 31 118.791 2.140 1.553 1.00 0.00 H new ATOM 0 HG22 ILE A 31 118.011 1.764 -0.002 1.00 0.00 H new ATOM 0 HG23 ILE A 31 118.318 0.466 1.177 1.00 0.00 H new ATOM 0 HD11 ILE A 31 122.072 1.393 2.933 1.00 0.00 H new ATOM 0 HD12 ILE A 31 121.856 2.582 1.626 1.00 0.00 H new ATOM 0 HD13 ILE A 31 120.475 2.126 2.652 1.00 0.00 H new ATOM 481 N ARG A 32 117.792 -0.098 -2.099 1.00 0.00 N ATOM 482 CA ARG A 32 116.748 0.304 -3.090 1.00 0.00 C ATOM 483 C ARG A 32 115.356 0.241 -2.446 1.00 0.00 C ATOM 484 O ARG A 32 115.127 -0.487 -1.502 1.00 0.00 O ATOM 485 CB ARG A 32 116.859 -0.694 -4.245 1.00 0.00 C ATOM 486 CG ARG A 32 118.182 -0.490 -4.985 1.00 0.00 C ATOM 487 CD ARG A 32 118.316 -1.543 -6.089 1.00 0.00 C ATOM 488 NE ARG A 32 117.198 -1.252 -7.032 1.00 0.00 N ATOM 489 CZ ARG A 32 116.979 -2.032 -8.061 1.00 0.00 C ATOM 490 NH1 ARG A 32 117.943 -2.771 -8.545 1.00 0.00 N1+ ATOM 491 NH2 ARG A 32 115.796 -2.070 -8.610 1.00 0.00 N ATOM 0 H ARG A 32 117.548 -0.895 -1.511 1.00 0.00 H new ATOM 0 HA ARG A 32 116.892 1.327 -3.439 1.00 0.00 H new ATOM 0 HB2 ARG A 32 116.799 -1.713 -3.863 1.00 0.00 H new ATOM 0 HB3 ARG A 32 116.024 -0.562 -4.933 1.00 0.00 H new ATOM 0 HG2 ARG A 32 118.220 0.511 -5.415 1.00 0.00 H new ATOM 0 HG3 ARG A 32 119.017 -0.569 -4.289 1.00 0.00 H new ATOM 0 HD2 ARG A 32 119.283 -1.472 -6.588 1.00 0.00 H new ATOM 0 HD3 ARG A 32 118.239 -2.552 -5.684 1.00 0.00 H new ATOM 0 HE ARG A 32 116.600 -0.441 -6.875 1.00 0.00 H new ATOM 0 HH11 ARG A 32 118.870 -2.742 -8.121 1.00 0.00 H new ATOM 0 HH12 ARG A 32 117.768 -3.377 -9.347 1.00 0.00 H new ATOM 0 HH21 ARG A 32 115.042 -1.492 -8.238 1.00 0.00 H new ATOM 0 HH22 ARG A 32 115.625 -2.677 -9.411 1.00 0.00 H new ATOM 505 N VAL A 33 114.431 1.018 -2.947 1.00 0.00 N ATOM 506 CA VAL A 33 113.052 1.033 -2.368 1.00 0.00 C ATOM 507 C VAL A 33 112.004 0.712 -3.451 1.00 0.00 C ATOM 508 O VAL A 33 112.078 1.191 -4.566 1.00 0.00 O ATOM 509 CB VAL A 33 112.876 2.464 -1.827 1.00 0.00 C ATOM 510 CG1 VAL A 33 111.407 2.720 -1.462 1.00 0.00 C ATOM 511 CG2 VAL A 33 113.738 2.638 -0.575 1.00 0.00 C ATOM 0 H VAL A 33 114.572 1.647 -3.737 1.00 0.00 H new ATOM 0 HA VAL A 33 112.917 0.283 -1.589 1.00 0.00 H new ATOM 0 HB VAL A 33 113.181 3.173 -2.597 1.00 0.00 H new ATOM 0 HG11 VAL A 33 111.298 3.735 -1.081 1.00 0.00 H new ATOM 0 HG12 VAL A 33 110.785 2.596 -2.349 1.00 0.00 H new ATOM 0 HG13 VAL A 33 111.093 2.010 -0.697 1.00 0.00 H new ATOM 0 HG21 VAL A 33 113.617 3.650 -0.188 1.00 0.00 H new ATOM 0 HG22 VAL A 33 113.427 1.920 0.184 1.00 0.00 H new ATOM 0 HG23 VAL A 33 114.785 2.469 -0.828 1.00 0.00 H new ATOM 521 N HIS A 34 111.013 -0.074 -3.107 1.00 0.00 N ATOM 522 CA HIS A 34 109.936 -0.412 -4.081 1.00 0.00 C ATOM 523 C HIS A 34 108.562 -0.051 -3.499 1.00 0.00 C ATOM 524 O HIS A 34 108.181 -0.508 -2.440 1.00 0.00 O ATOM 525 CB HIS A 34 110.055 -1.920 -4.307 1.00 0.00 C ATOM 526 CG HIS A 34 108.943 -2.388 -5.206 1.00 0.00 C ATOM 527 ND1 HIS A 34 109.018 -2.294 -6.585 1.00 0.00 N ATOM 528 CD2 HIS A 34 107.721 -2.950 -4.933 1.00 0.00 C ATOM 529 CE1 HIS A 34 107.871 -2.788 -7.087 1.00 0.00 C ATOM 530 NE2 HIS A 34 107.045 -3.202 -6.123 1.00 0.00 N ATOM 0 H HIS A 34 110.906 -0.498 -2.185 1.00 0.00 H new ATOM 0 HA HIS A 34 110.036 0.141 -5.015 1.00 0.00 H new ATOM 0 HB2 HIS A 34 111.021 -2.155 -4.755 1.00 0.00 H new ATOM 0 HB3 HIS A 34 110.010 -2.445 -3.353 1.00 0.00 H new ATOM 0 HD2 HIS A 34 107.342 -3.164 -3.945 1.00 0.00 H new ATOM 0 HE1 HIS A 34 107.646 -2.843 -8.142 1.00 0.00 H new ATOM 0 HE2 HIS A 34 106.119 -3.614 -6.235 1.00 0.00 H new ATOM 538 N LEU A 35 107.825 0.777 -4.191 1.00 0.00 N ATOM 539 CA LEU A 35 106.480 1.198 -3.698 1.00 0.00 C ATOM 540 C LEU A 35 105.357 0.567 -4.528 1.00 0.00 C ATOM 541 O LEU A 35 105.350 0.617 -5.742 1.00 0.00 O ATOM 542 CB LEU A 35 106.463 2.715 -3.875 1.00 0.00 C ATOM 543 CG LEU A 35 105.216 3.283 -3.203 1.00 0.00 C ATOM 544 CD1 LEU A 35 105.281 2.990 -1.704 1.00 0.00 C ATOM 545 CD2 LEU A 35 105.157 4.795 -3.428 1.00 0.00 C ATOM 0 H LEU A 35 108.100 1.184 -5.085 1.00 0.00 H new ATOM 0 HA LEU A 35 106.316 0.885 -2.667 1.00 0.00 H new ATOM 0 HB2 LEU A 35 107.359 3.155 -3.437 1.00 0.00 H new ATOM 0 HB3 LEU A 35 106.468 2.970 -4.935 1.00 0.00 H new ATOM 0 HG LEU A 35 104.325 2.822 -3.630 1.00 0.00 H new ATOM 0 HD11 LEU A 35 104.393 3.393 -1.216 1.00 0.00 H new ATOM 0 HD12 LEU A 35 105.325 1.912 -1.545 1.00 0.00 H new ATOM 0 HD13 LEU A 35 106.171 3.456 -1.280 1.00 0.00 H new ATOM 0 HD21 LEU A 35 104.266 5.200 -2.948 1.00 0.00 H new ATOM 0 HD22 LEU A 35 106.044 5.262 -2.999 1.00 0.00 H new ATOM 0 HD23 LEU A 35 105.119 5.002 -4.497 1.00 0.00 H new ATOM 557 N GLU A 36 104.388 0.002 -3.854 1.00 0.00 N ATOM 558 CA GLU A 36 103.215 -0.614 -4.544 1.00 0.00 C ATOM 559 C GLU A 36 101.985 -0.486 -3.631 1.00 0.00 C ATOM 560 O GLU A 36 102.099 -0.121 -2.476 1.00 0.00 O ATOM 561 CB GLU A 36 103.600 -2.071 -4.807 1.00 0.00 C ATOM 562 CG GLU A 36 102.484 -2.772 -5.587 1.00 0.00 C ATOM 563 CD GLU A 36 102.922 -4.203 -5.932 1.00 0.00 C ATOM 564 OE1 GLU A 36 103.922 -4.651 -5.390 1.00 0.00 O ATOM 565 OE2 GLU A 36 102.249 -4.827 -6.735 1.00 0.00 O1- ATOM 0 H GLU A 36 104.360 -0.059 -2.836 1.00 0.00 H new ATOM 0 HA GLU A 36 102.963 -0.127 -5.486 1.00 0.00 H new ATOM 0 HB2 GLU A 36 104.532 -2.114 -5.371 1.00 0.00 H new ATOM 0 HB3 GLU A 36 103.775 -2.586 -3.863 1.00 0.00 H new ATOM 0 HG2 GLU A 36 101.569 -2.793 -4.994 1.00 0.00 H new ATOM 0 HG3 GLU A 36 102.260 -2.219 -6.499 1.00 0.00 H new ATOM 572 N LYS A 37 100.805 -0.716 -4.151 1.00 0.00 N ATOM 573 CA LYS A 37 99.574 -0.534 -3.319 1.00 0.00 C ATOM 574 C LYS A 37 99.270 -1.730 -2.406 1.00 0.00 C ATOM 575 O LYS A 37 99.496 -1.672 -1.209 1.00 0.00 O ATOM 576 CB LYS A 37 98.441 -0.297 -4.322 1.00 0.00 C ATOM 577 CG LYS A 37 98.636 1.062 -4.993 1.00 0.00 C ATOM 578 CD LYS A 37 97.492 1.324 -5.977 1.00 0.00 C ATOM 579 CE LYS A 37 97.728 2.666 -6.673 1.00 0.00 C ATOM 580 NZ LYS A 37 96.577 2.829 -7.604 1.00 0.00 N1+ ATOM 0 H LYS A 37 100.640 -1.020 -5.110 1.00 0.00 H new ATOM 0 HA LYS A 37 99.703 0.301 -2.630 1.00 0.00 H new ATOM 0 HB2 LYS A 37 98.433 -1.088 -5.072 1.00 0.00 H new ATOM 0 HB3 LYS A 37 97.477 -0.329 -3.814 1.00 0.00 H new ATOM 0 HG2 LYS A 37 98.667 1.849 -4.239 1.00 0.00 H new ATOM 0 HG3 LYS A 37 99.591 1.085 -5.517 1.00 0.00 H new ATOM 0 HD2 LYS A 37 97.439 0.523 -6.714 1.00 0.00 H new ATOM 0 HD3 LYS A 37 96.538 1.336 -5.450 1.00 0.00 H new ATOM 0 HE2 LYS A 37 97.770 3.482 -5.952 1.00 0.00 H new ATOM 0 HE3 LYS A 37 98.675 2.669 -7.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 96.670 3.729 -8.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 96.566 2.042 -8.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 95.689 2.830 -7.062 1.00 0.00 H new ATOM 594 N THR A 38 98.766 -2.809 -2.957 1.00 0.00 N ATOM 595 CA THR A 38 98.462 -4.013 -2.119 1.00 0.00 C ATOM 596 C THR A 38 98.898 -5.287 -2.855 1.00 0.00 C ATOM 597 O THR A 38 98.948 -5.327 -4.067 1.00 0.00 O ATOM 598 CB THR A 38 96.943 -4.014 -1.927 1.00 0.00 C ATOM 599 OG1 THR A 38 96.318 -3.536 -3.111 1.00 0.00 O ATOM 600 CG2 THR A 38 96.557 -3.127 -0.748 1.00 0.00 C ATOM 0 H THR A 38 98.552 -2.908 -3.949 1.00 0.00 H new ATOM 0 HA THR A 38 98.989 -3.985 -1.165 1.00 0.00 H new ATOM 0 HB THR A 38 96.611 -5.032 -1.722 1.00 0.00 H new ATOM 0 HG1 THR A 38 95.345 -3.537 -2.991 1.00 0.00 H new ATOM 0 HG21 THR A 38 95.474 -3.138 -0.624 1.00 0.00 H new ATOM 0 HG22 THR A 38 97.030 -3.502 0.160 1.00 0.00 H new ATOM 0 HG23 THR A 38 96.891 -2.106 -0.936 1.00 0.00 H new ATOM 608 N SER A 39 99.196 -6.336 -2.130 1.00 0.00 N ATOM 609 CA SER A 39 99.605 -7.610 -2.787 1.00 0.00 C ATOM 610 C SER A 39 98.417 -8.574 -2.862 1.00 0.00 C ATOM 611 O SER A 39 97.404 -8.382 -2.221 1.00 0.00 O ATOM 612 CB SER A 39 100.709 -8.176 -1.894 1.00 0.00 C ATOM 613 OG SER A 39 100.274 -8.151 -0.542 1.00 0.00 O ATOM 0 H SER A 39 99.173 -6.363 -1.111 1.00 0.00 H new ATOM 0 HA SER A 39 99.949 -7.458 -3.810 1.00 0.00 H new ATOM 0 HB2 SER A 39 100.948 -9.197 -2.193 1.00 0.00 H new ATOM 0 HB3 SER A 39 101.621 -7.589 -2.006 1.00 0.00 H new ATOM 0 HG SER A 39 100.978 -8.515 0.035 1.00 0.00 H new ATOM 619 N GLU A 40 98.550 -9.627 -3.620 1.00 0.00 N ATOM 620 CA GLU A 40 97.447 -10.633 -3.722 1.00 0.00 C ATOM 621 C GLU A 40 97.813 -11.910 -2.950 1.00 0.00 C ATOM 622 O GLU A 40 96.987 -12.776 -2.738 1.00 0.00 O ATOM 623 CB GLU A 40 97.307 -10.937 -5.216 1.00 0.00 C ATOM 624 CG GLU A 40 96.716 -9.723 -5.943 1.00 0.00 C ATOM 625 CD GLU A 40 96.654 -10.003 -7.453 1.00 0.00 C ATOM 626 OE1 GLU A 40 97.128 -11.049 -7.872 1.00 0.00 O ATOM 627 OE2 GLU A 40 96.124 -9.167 -8.166 1.00 0.00 O1- ATOM 0 H GLU A 40 99.378 -9.838 -4.177 1.00 0.00 H new ATOM 0 HA GLU A 40 96.517 -10.257 -3.296 1.00 0.00 H new ATOM 0 HB2 GLU A 40 98.281 -11.186 -5.638 1.00 0.00 H new ATOM 0 HB3 GLU A 40 96.665 -11.806 -5.360 1.00 0.00 H new ATOM 0 HG2 GLU A 40 95.717 -9.509 -5.562 1.00 0.00 H new ATOM 0 HG3 GLU A 40 97.326 -8.840 -5.752 1.00 0.00 H new ATOM 634 N ILE A 41 99.044 -12.037 -2.527 1.00 0.00 N ATOM 635 CA ILE A 41 99.463 -13.248 -1.769 1.00 0.00 C ATOM 636 C ILE A 41 100.166 -12.817 -0.464 1.00 0.00 C ATOM 637 O ILE A 41 99.585 -12.105 0.336 1.00 0.00 O ATOM 638 CB ILE A 41 100.405 -14.007 -2.713 1.00 0.00 C ATOM 639 CG1 ILE A 41 101.518 -13.067 -3.204 1.00 0.00 C ATOM 640 CG2 ILE A 41 99.623 -14.538 -3.909 1.00 0.00 C ATOM 641 CD1 ILE A 41 102.575 -13.877 -3.954 1.00 0.00 C ATOM 0 H ILE A 41 99.780 -11.347 -2.677 1.00 0.00 H new ATOM 0 HA ILE A 41 98.627 -13.882 -1.473 1.00 0.00 H new ATOM 0 HB ILE A 41 100.850 -14.843 -2.174 1.00 0.00 H new ATOM 0 HG12 ILE A 41 101.100 -12.301 -3.857 1.00 0.00 H new ATOM 0 HG13 ILE A 41 101.972 -12.551 -2.358 1.00 0.00 H new ATOM 0 HG21 ILE A 41 100.298 -15.076 -4.575 1.00 0.00 H new ATOM 0 HG22 ILE A 41 98.841 -15.214 -3.562 1.00 0.00 H new ATOM 0 HG23 ILE A 41 99.170 -13.705 -4.447 1.00 0.00 H new ATOM 0 HD11 ILE A 41 103.364 -13.211 -4.302 1.00 0.00 H new ATOM 0 HD12 ILE A 41 103.001 -14.626 -3.286 1.00 0.00 H new ATOM 0 HD13 ILE A 41 102.115 -14.372 -4.809 1.00 0.00 H new ATOM 653 N ASP A 42 101.404 -13.207 -0.228 1.00 0.00 N ATOM 654 CA ASP A 42 102.086 -12.767 1.015 1.00 0.00 C ATOM 655 C ASP A 42 103.215 -11.786 0.676 1.00 0.00 C ATOM 656 O ASP A 42 103.937 -11.955 -0.286 1.00 0.00 O ATOM 657 CB ASP A 42 102.628 -14.043 1.658 1.00 0.00 C ATOM 658 CG ASP A 42 101.479 -14.804 2.330 1.00 0.00 C ATOM 659 OD1 ASP A 42 100.418 -14.219 2.501 1.00 0.00 O1- ATOM 660 OD2 ASP A 42 101.676 -15.960 2.664 1.00 0.00 O ATOM 0 H ASP A 42 101.957 -13.805 -0.842 1.00 0.00 H new ATOM 0 HA ASP A 42 101.413 -12.243 1.694 1.00 0.00 H new ATOM 0 HB2 ASP A 42 103.102 -14.671 0.903 1.00 0.00 H new ATOM 0 HB3 ASP A 42 103.394 -13.796 2.393 1.00 0.00 H new ATOM 665 N VAL A 43 103.346 -10.747 1.454 1.00 0.00 N ATOM 666 CA VAL A 43 104.397 -9.721 1.185 1.00 0.00 C ATOM 667 C VAL A 43 105.814 -10.307 1.289 1.00 0.00 C ATOM 668 O VAL A 43 106.660 -10.043 0.460 1.00 0.00 O ATOM 669 CB VAL A 43 104.175 -8.652 2.260 1.00 0.00 C ATOM 670 CG1 VAL A 43 105.270 -7.589 2.167 1.00 0.00 C ATOM 671 CG2 VAL A 43 102.806 -7.997 2.059 1.00 0.00 C ATOM 0 H VAL A 43 102.766 -10.562 2.272 1.00 0.00 H new ATOM 0 HA VAL A 43 104.319 -9.326 0.172 1.00 0.00 H new ATOM 0 HB VAL A 43 104.212 -9.120 3.244 1.00 0.00 H new ATOM 0 HG11 VAL A 43 105.108 -6.831 2.933 1.00 0.00 H new ATOM 0 HG12 VAL A 43 106.244 -8.055 2.318 1.00 0.00 H new ATOM 0 HG13 VAL A 43 105.241 -7.122 1.183 1.00 0.00 H new ATOM 0 HG21 VAL A 43 102.650 -7.237 2.825 1.00 0.00 H new ATOM 0 HG22 VAL A 43 102.766 -7.533 1.074 1.00 0.00 H new ATOM 0 HG23 VAL A 43 102.026 -8.754 2.135 1.00 0.00 H new ATOM 681 N PHE A 44 106.086 -11.081 2.299 1.00 0.00 N ATOM 682 CA PHE A 44 107.456 -11.659 2.442 1.00 0.00 C ATOM 683 C PHE A 44 107.794 -12.521 1.218 1.00 0.00 C ATOM 684 O PHE A 44 108.852 -12.382 0.634 1.00 0.00 O ATOM 685 CB PHE A 44 107.395 -12.501 3.719 1.00 0.00 C ATOM 686 CG PHE A 44 108.756 -13.080 4.019 1.00 0.00 C ATOM 687 CD1 PHE A 44 109.775 -12.256 4.516 1.00 0.00 C ATOM 688 CD2 PHE A 44 109.000 -14.442 3.807 1.00 0.00 C ATOM 689 CE1 PHE A 44 111.034 -12.794 4.800 1.00 0.00 C ATOM 690 CE2 PHE A 44 110.260 -14.980 4.091 1.00 0.00 C ATOM 691 CZ PHE A 44 111.278 -14.157 4.587 1.00 0.00 C ATOM 0 H PHE A 44 105.425 -11.340 3.031 1.00 0.00 H new ATOM 0 HA PHE A 44 108.232 -10.896 2.504 1.00 0.00 H new ATOM 0 HB2 PHE A 44 107.060 -11.886 4.554 1.00 0.00 H new ATOM 0 HB3 PHE A 44 106.667 -13.304 3.601 1.00 0.00 H new ATOM 0 HD1 PHE A 44 109.588 -11.205 4.680 1.00 0.00 H new ATOM 0 HD2 PHE A 44 108.215 -15.078 3.424 1.00 0.00 H new ATOM 0 HE1 PHE A 44 111.819 -12.159 5.184 1.00 0.00 H new ATOM 0 HE2 PHE A 44 110.447 -16.031 3.927 1.00 0.00 H new ATOM 0 HZ PHE A 44 112.251 -14.572 4.805 1.00 0.00 H new ATOM 701 N ASP A 45 106.901 -13.371 0.789 1.00 0.00 N ATOM 702 CA ASP A 45 107.189 -14.181 -0.432 1.00 0.00 C ATOM 703 C ASP A 45 107.158 -13.253 -1.652 1.00 0.00 C ATOM 704 O ASP A 45 107.958 -13.377 -2.559 1.00 0.00 O ATOM 705 CB ASP A 45 106.060 -15.212 -0.515 1.00 0.00 C ATOM 706 CG ASP A 45 106.260 -16.112 -1.742 1.00 0.00 C ATOM 707 OD1 ASP A 45 107.190 -15.871 -2.496 1.00 0.00 O ATOM 708 OD2 ASP A 45 105.470 -17.027 -1.911 1.00 0.00 O1- ATOM 0 H ASP A 45 105.994 -13.540 1.224 1.00 0.00 H new ATOM 0 HA ASP A 45 108.164 -14.668 -0.399 1.00 0.00 H new ATOM 0 HB2 ASP A 45 106.042 -15.817 0.391 1.00 0.00 H new ATOM 0 HB3 ASP A 45 105.097 -14.705 -0.579 1.00 0.00 H new ATOM 713 N ARG A 46 106.241 -12.328 -1.681 1.00 0.00 N ATOM 714 CA ARG A 46 106.152 -11.392 -2.839 1.00 0.00 C ATOM 715 C ARG A 46 107.429 -10.562 -2.984 1.00 0.00 C ATOM 716 O ARG A 46 107.951 -10.407 -4.071 1.00 0.00 O ATOM 717 CB ARG A 46 104.987 -10.473 -2.499 1.00 0.00 C ATOM 718 CG ARG A 46 104.742 -9.521 -3.668 1.00 0.00 C ATOM 719 CD ARG A 46 103.624 -8.546 -3.302 1.00 0.00 C ATOM 720 NE ARG A 46 103.492 -7.655 -4.487 1.00 0.00 N ATOM 721 CZ ARG A 46 102.523 -7.844 -5.338 1.00 0.00 C ATOM 722 NH1 ARG A 46 102.544 -8.875 -6.137 1.00 0.00 N ATOM 723 NH2 ARG A 46 101.533 -6.998 -5.394 1.00 0.00 N1+ ATOM 0 H ARG A 46 105.546 -12.178 -0.950 1.00 0.00 H new ATOM 0 HA ARG A 46 106.018 -11.930 -3.777 1.00 0.00 H new ATOM 0 HB2 ARG A 46 104.091 -11.061 -2.299 1.00 0.00 H new ATOM 0 HB3 ARG A 46 105.206 -9.907 -1.593 1.00 0.00 H new ATOM 0 HG2 ARG A 46 105.655 -8.973 -3.903 1.00 0.00 H new ATOM 0 HG3 ARG A 46 104.470 -10.085 -4.560 1.00 0.00 H new ATOM 0 HD2 ARG A 46 102.692 -9.072 -3.097 1.00 0.00 H new ATOM 0 HD3 ARG A 46 103.873 -7.978 -2.406 1.00 0.00 H new ATOM 0 HE ARG A 46 104.159 -6.897 -4.633 1.00 0.00 H new ATOM 0 HH11 ARG A 46 103.320 -9.536 -6.097 1.00 0.00 H new ATOM 0 HH12 ARG A 46 101.784 -9.020 -6.802 1.00 0.00 H new ATOM 0 HH21 ARG A 46 101.517 -6.189 -4.772 1.00 0.00 H new ATOM 0 HH22 ARG A 46 100.774 -7.145 -6.059 1.00 0.00 H new ATOM 737 N ALA A 47 107.938 -10.021 -1.912 1.00 0.00 N ATOM 738 CA ALA A 47 109.176 -9.202 -2.020 1.00 0.00 C ATOM 739 C ALA A 47 110.341 -10.085 -2.466 1.00 0.00 C ATOM 740 O ALA A 47 111.189 -9.665 -3.224 1.00 0.00 O ATOM 741 CB ALA A 47 109.407 -8.625 -0.624 1.00 0.00 C ATOM 0 H ALA A 47 107.553 -10.110 -0.972 1.00 0.00 H new ATOM 0 HA ALA A 47 109.089 -8.404 -2.758 1.00 0.00 H new ATOM 0 HB1 ALA A 47 110.306 -8.008 -0.629 1.00 0.00 H new ATOM 0 HB2 ALA A 47 108.551 -8.015 -0.336 1.00 0.00 H new ATOM 0 HB3 ALA A 47 109.530 -9.439 0.090 1.00 0.00 H new ATOM 747 N MET A 48 110.384 -11.310 -2.014 1.00 0.00 N ATOM 748 CA MET A 48 111.486 -12.220 -2.442 1.00 0.00 C ATOM 749 C MET A 48 111.387 -12.486 -3.950 1.00 0.00 C ATOM 750 O MET A 48 112.374 -12.447 -4.657 1.00 0.00 O ATOM 751 CB MET A 48 111.274 -13.511 -1.652 1.00 0.00 C ATOM 752 CG MET A 48 112.400 -14.496 -1.970 1.00 0.00 C ATOM 753 SD MET A 48 112.193 -15.992 -0.973 1.00 0.00 S ATOM 754 CE MET A 48 110.684 -16.591 -1.774 1.00 0.00 C ATOM 0 H MET A 48 109.707 -11.719 -1.370 1.00 0.00 H new ATOM 0 HA MET A 48 112.471 -11.793 -2.255 1.00 0.00 H new ATOM 0 HB2 MET A 48 111.255 -13.297 -0.583 1.00 0.00 H new ATOM 0 HB3 MET A 48 110.310 -13.951 -1.906 1.00 0.00 H new ATOM 0 HG2 MET A 48 112.388 -14.748 -3.030 1.00 0.00 H new ATOM 0 HG3 MET A 48 113.367 -14.039 -1.762 1.00 0.00 H new ATOM 0 HE1 MET A 48 110.760 -17.666 -1.936 1.00 0.00 H new ATOM 0 HE2 MET A 48 109.825 -16.380 -1.137 1.00 0.00 H new ATOM 0 HE3 MET A 48 110.557 -16.088 -2.733 1.00 0.00 H new ATOM 764 N ASP A 49 110.207 -12.738 -4.453 1.00 0.00 N ATOM 765 CA ASP A 49 110.066 -12.982 -5.921 1.00 0.00 C ATOM 766 C ASP A 49 110.473 -11.717 -6.685 1.00 0.00 C ATOM 767 O ASP A 49 111.195 -11.772 -7.660 1.00 0.00 O ATOM 768 CB ASP A 49 108.587 -13.322 -6.140 1.00 0.00 C ATOM 769 CG ASP A 49 108.376 -13.824 -7.570 1.00 0.00 C ATOM 770 OD1 ASP A 49 109.231 -13.567 -8.400 1.00 0.00 O ATOM 771 OD2 ASP A 49 107.362 -14.460 -7.809 1.00 0.00 O1- ATOM 0 H ASP A 49 109.341 -12.785 -3.917 1.00 0.00 H new ATOM 0 HA ASP A 49 110.703 -13.790 -6.280 1.00 0.00 H new ATOM 0 HB2 ASP A 49 108.270 -14.083 -5.427 1.00 0.00 H new ATOM 0 HB3 ASP A 49 107.971 -12.441 -5.960 1.00 0.00 H new ATOM 776 N VAL A 50 110.038 -10.578 -6.224 1.00 0.00 N ATOM 777 CA VAL A 50 110.416 -9.294 -6.885 1.00 0.00 C ATOM 778 C VAL A 50 111.921 -9.026 -6.712 1.00 0.00 C ATOM 779 O VAL A 50 112.590 -8.616 -7.640 1.00 0.00 O ATOM 780 CB VAL A 50 109.579 -8.226 -6.166 1.00 0.00 C ATOM 781 CG1 VAL A 50 109.989 -6.817 -6.619 1.00 0.00 C ATOM 782 CG2 VAL A 50 108.098 -8.446 -6.488 1.00 0.00 C ATOM 0 H VAL A 50 109.431 -10.479 -5.410 1.00 0.00 H new ATOM 0 HA VAL A 50 110.227 -9.304 -7.958 1.00 0.00 H new ATOM 0 HB VAL A 50 109.750 -8.312 -5.093 1.00 0.00 H new ATOM 0 HG11 VAL A 50 109.383 -6.076 -6.097 1.00 0.00 H new ATOM 0 HG12 VAL A 50 111.042 -6.653 -6.388 1.00 0.00 H new ATOM 0 HG13 VAL A 50 109.834 -6.721 -7.694 1.00 0.00 H new ATOM 0 HG21 VAL A 50 107.499 -7.690 -5.980 1.00 0.00 H new ATOM 0 HG22 VAL A 50 107.944 -8.368 -7.564 1.00 0.00 H new ATOM 0 HG23 VAL A 50 107.795 -9.437 -6.149 1.00 0.00 H new ATOM 792 N PHE A 51 112.458 -9.228 -5.543 1.00 0.00 N ATOM 793 CA PHE A 51 113.912 -8.955 -5.336 1.00 0.00 C ATOM 794 C PHE A 51 114.755 -9.829 -6.270 1.00 0.00 C ATOM 795 O PHE A 51 115.638 -9.345 -6.955 1.00 0.00 O ATOM 796 CB PHE A 51 114.164 -9.326 -3.878 1.00 0.00 C ATOM 797 CG PHE A 51 115.574 -8.957 -3.493 1.00 0.00 C ATOM 798 CD1 PHE A 51 115.947 -7.612 -3.429 1.00 0.00 C ATOM 799 CD2 PHE A 51 116.505 -9.958 -3.192 1.00 0.00 C ATOM 800 CE1 PHE A 51 117.253 -7.263 -3.065 1.00 0.00 C ATOM 801 CE2 PHE A 51 117.809 -9.611 -2.828 1.00 0.00 C ATOM 802 CZ PHE A 51 118.185 -8.263 -2.764 1.00 0.00 C ATOM 0 H PHE A 51 111.958 -9.569 -4.722 1.00 0.00 H new ATOM 0 HA PHE A 51 114.180 -7.921 -5.551 1.00 0.00 H new ATOM 0 HB2 PHE A 51 113.454 -8.808 -3.233 1.00 0.00 H new ATOM 0 HB3 PHE A 51 114.005 -10.395 -3.733 1.00 0.00 H new ATOM 0 HD1 PHE A 51 115.227 -6.841 -3.661 1.00 0.00 H new ATOM 0 HD2 PHE A 51 116.216 -10.997 -3.241 1.00 0.00 H new ATOM 0 HE1 PHE A 51 117.541 -6.223 -3.016 1.00 0.00 H new ATOM 0 HE2 PHE A 51 118.528 -10.383 -2.596 1.00 0.00 H new ATOM 0 HZ PHE A 51 119.193 -7.996 -2.483 1.00 0.00 H new ATOM 812 N HIS A 52 114.481 -11.099 -6.330 1.00 0.00 N ATOM 813 CA HIS A 52 115.257 -11.979 -7.249 1.00 0.00 C ATOM 814 C HIS A 52 114.835 -11.682 -8.691 1.00 0.00 C ATOM 815 O HIS A 52 115.638 -11.712 -9.602 1.00 0.00 O ATOM 816 CB HIS A 52 114.900 -13.408 -6.837 1.00 0.00 C ATOM 817 CG HIS A 52 115.513 -13.711 -5.497 1.00 0.00 C ATOM 818 ND1 HIS A 52 116.478 -14.691 -5.334 1.00 0.00 N ATOM 819 CD2 HIS A 52 115.312 -13.172 -4.247 1.00 0.00 C ATOM 820 CE1 HIS A 52 116.817 -14.715 -4.032 1.00 0.00 C ATOM 821 NE2 HIS A 52 116.138 -13.808 -3.325 1.00 0.00 N ATOM 0 H HIS A 52 113.756 -11.567 -5.786 1.00 0.00 H new ATOM 0 HA HIS A 52 116.334 -11.822 -7.191 1.00 0.00 H new ATOM 0 HB2 HIS A 52 113.817 -13.524 -6.788 1.00 0.00 H new ATOM 0 HB3 HIS A 52 115.263 -14.115 -7.583 1.00 0.00 H new ATOM 0 HD2 HIS A 52 114.619 -12.377 -4.017 1.00 0.00 H new ATOM 0 HE1 HIS A 52 117.550 -15.387 -3.610 1.00 0.00 H new ATOM 0 HE2 HIS A 52 116.209 -13.622 -2.325 1.00 0.00 H new ATOM 829 N ASN A 53 113.586 -11.379 -8.899 1.00 0.00 N ATOM 830 CA ASN A 53 113.110 -11.060 -10.277 1.00 0.00 C ATOM 831 C ASN A 53 113.826 -9.811 -10.809 1.00 0.00 C ATOM 832 O ASN A 53 114.214 -9.754 -11.960 1.00 0.00 O ATOM 833 CB ASN A 53 111.610 -10.813 -10.123 1.00 0.00 C ATOM 834 CG ASN A 53 111.025 -10.295 -11.439 1.00 0.00 C ATOM 835 OD1 ASN A 53 111.722 -10.199 -12.431 1.00 0.00 O ATOM 836 ND2 ASN A 53 109.772 -9.950 -11.482 1.00 0.00 N ATOM 0 H ASN A 53 112.870 -11.338 -8.174 1.00 0.00 H new ATOM 0 HA ASN A 53 113.316 -11.860 -10.988 1.00 0.00 H new ATOM 0 HB2 ASN A 53 111.109 -11.736 -9.832 1.00 0.00 H new ATOM 0 HB3 ASN A 53 111.432 -10.090 -9.327 1.00 0.00 H new ATOM 0 HD21 ASN A 53 109.370 -9.597 -12.350 1.00 0.00 H new ATOM 0 HD22 ASN A 53 109.191 -10.032 -10.647 1.00 0.00 H new ATOM 843 N LEU A 54 114.039 -8.825 -9.972 1.00 0.00 N ATOM 844 CA LEU A 54 114.770 -7.600 -10.429 1.00 0.00 C ATOM 845 C LEU A 54 116.287 -7.864 -10.452 1.00 0.00 C ATOM 846 O LEU A 54 117.070 -6.979 -10.748 1.00 0.00 O ATOM 847 CB LEU A 54 114.435 -6.511 -9.406 1.00 0.00 C ATOM 848 CG LEU A 54 113.008 -6.005 -9.627 1.00 0.00 C ATOM 849 CD1 LEU A 54 112.574 -5.167 -8.422 1.00 0.00 C ATOM 850 CD2 LEU A 54 112.962 -5.134 -10.887 1.00 0.00 C ATOM 0 H LEU A 54 113.740 -8.814 -8.997 1.00 0.00 H new ATOM 0 HA LEU A 54 114.477 -7.307 -11.437 1.00 0.00 H new ATOM 0 HB2 LEU A 54 114.537 -6.906 -8.395 1.00 0.00 H new ATOM 0 HB3 LEU A 54 115.141 -5.685 -9.498 1.00 0.00 H new ATOM 0 HG LEU A 54 112.337 -6.856 -9.746 1.00 0.00 H new ATOM 0 HD11 LEU A 54 111.558 -4.805 -8.577 1.00 0.00 H new ATOM 0 HD12 LEU A 54 112.607 -5.780 -7.521 1.00 0.00 H new ATOM 0 HD13 LEU A 54 113.248 -4.318 -8.308 1.00 0.00 H new ATOM 0 HD21 LEU A 54 111.945 -4.774 -11.044 1.00 0.00 H new ATOM 0 HD22 LEU A 54 113.633 -4.284 -10.766 1.00 0.00 H new ATOM 0 HD23 LEU A 54 113.275 -5.724 -11.749 1.00 0.00 H new ATOM 862 N LYS A 55 116.712 -9.075 -10.151 1.00 0.00 N ATOM 863 CA LYS A 55 118.154 -9.417 -10.167 1.00 0.00 C ATOM 864 C LYS A 55 118.971 -8.513 -9.233 1.00 0.00 C ATOM 865 O LYS A 55 120.121 -8.225 -9.501 1.00 0.00 O ATOM 866 CB LYS A 55 118.599 -9.248 -11.627 1.00 0.00 C ATOM 867 CG LYS A 55 117.986 -10.353 -12.497 1.00 0.00 C ATOM 868 CD LYS A 55 118.408 -10.151 -13.958 1.00 0.00 C ATOM 869 CE LYS A 55 117.826 -11.274 -14.826 1.00 0.00 C ATOM 870 NZ LYS A 55 118.303 -10.981 -16.209 1.00 0.00 N1+ ATOM 0 H LYS A 55 116.098 -9.847 -9.892 1.00 0.00 H new ATOM 0 HA LYS A 55 118.319 -10.432 -9.805 1.00 0.00 H new ATOM 0 HB2 LYS A 55 118.292 -8.270 -11.998 1.00 0.00 H new ATOM 0 HB3 LYS A 55 119.686 -9.286 -11.690 1.00 0.00 H new ATOM 0 HG2 LYS A 55 118.314 -11.331 -12.145 1.00 0.00 H new ATOM 0 HG3 LYS A 55 116.899 -10.333 -12.416 1.00 0.00 H new ATOM 0 HD2 LYS A 55 118.058 -9.183 -14.317 1.00 0.00 H new ATOM 0 HD3 LYS A 55 119.495 -10.146 -14.035 1.00 0.00 H new ATOM 0 HE2 LYS A 55 118.170 -12.252 -14.489 1.00 0.00 H new ATOM 0 HE3 LYS A 55 116.737 -11.285 -14.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 117.945 -11.708 -16.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 117.954 -10.047 -16.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 119.343 -10.984 -16.225 1.00 0.00 H new ATOM 884 N MET A 56 118.410 -8.084 -8.126 1.00 0.00 N ATOM 885 CA MET A 56 119.207 -7.226 -7.192 1.00 0.00 C ATOM 886 C MET A 56 120.344 -8.047 -6.570 1.00 0.00 C ATOM 887 O MET A 56 121.258 -7.501 -5.980 1.00 0.00 O ATOM 888 CB MET A 56 118.242 -6.735 -6.119 1.00 0.00 C ATOM 889 CG MET A 56 117.272 -5.729 -6.734 1.00 0.00 C ATOM 890 SD MET A 56 116.102 -5.171 -5.470 1.00 0.00 S ATOM 891 CE MET A 56 114.961 -4.304 -6.575 1.00 0.00 C ATOM 0 H MET A 56 117.454 -8.286 -7.833 1.00 0.00 H new ATOM 0 HA MET A 56 119.662 -6.383 -7.713 1.00 0.00 H new ATOM 0 HB2 MET A 56 117.692 -7.576 -5.696 1.00 0.00 H new ATOM 0 HB3 MET A 56 118.794 -6.272 -5.301 1.00 0.00 H new ATOM 0 HG2 MET A 56 117.821 -4.878 -7.138 1.00 0.00 H new ATOM 0 HG3 MET A 56 116.735 -6.186 -7.565 1.00 0.00 H new ATOM 0 HE1 MET A 56 115.040 -3.230 -6.410 1.00 0.00 H new ATOM 0 HE2 MET A 56 115.214 -4.532 -7.611 1.00 0.00 H new ATOM 0 HE3 MET A 56 113.940 -4.628 -6.371 1.00 0.00 H new ATOM 901 N ASP A 57 120.337 -9.349 -6.741 1.00 0.00 N ATOM 902 CA ASP A 57 121.456 -10.168 -6.206 1.00 0.00 C ATOM 903 C ASP A 57 122.677 -10.046 -7.129 1.00 0.00 C ATOM 904 O ASP A 57 123.725 -10.606 -6.864 1.00 0.00 O ATOM 905 CB ASP A 57 120.925 -11.603 -6.176 1.00 0.00 C ATOM 906 CG ASP A 57 119.844 -11.724 -5.103 1.00 0.00 C ATOM 907 OD1 ASP A 57 119.768 -10.842 -4.274 1.00 0.00 O1- ATOM 908 OD2 ASP A 57 119.113 -12.701 -5.127 1.00 0.00 O ATOM 0 H ASP A 57 119.607 -9.871 -7.226 1.00 0.00 H new ATOM 0 HA ASP A 57 121.776 -9.845 -5.216 1.00 0.00 H new ATOM 0 HB2 ASP A 57 120.517 -11.871 -7.150 1.00 0.00 H new ATOM 0 HB3 ASP A 57 121.738 -12.299 -5.968 1.00 0.00 H new ATOM 913 N ASN A 58 122.562 -9.296 -8.205 1.00 0.00 N ATOM 914 CA ASN A 58 123.698 -9.107 -9.124 1.00 0.00 C ATOM 915 C ASN A 58 124.653 -8.056 -8.560 1.00 0.00 C ATOM 916 O ASN A 58 124.890 -7.025 -9.158 1.00 0.00 O ATOM 917 CB ASN A 58 123.061 -8.606 -10.422 1.00 0.00 C ATOM 918 CG ASN A 58 124.134 -8.502 -11.505 1.00 0.00 C ATOM 919 OD1 ASN A 58 124.408 -7.430 -12.005 1.00 0.00 O ATOM 920 ND2 ASN A 58 124.758 -9.582 -11.890 1.00 0.00 N ATOM 0 H ASN A 58 121.709 -8.806 -8.475 1.00 0.00 H new ATOM 0 HA ASN A 58 124.276 -10.019 -9.273 1.00 0.00 H new ATOM 0 HB2 ASN A 58 122.272 -9.288 -10.740 1.00 0.00 H new ATOM 0 HB3 ASN A 58 122.596 -7.634 -10.260 1.00 0.00 H new ATOM 0 HD21 ASN A 58 125.477 -9.526 -12.612 1.00 0.00 H new ATOM 0 HD22 ASN A 58 124.527 -10.482 -11.469 1.00 0.00 H new ATOM 927 N THR A 59 125.238 -8.341 -7.432 1.00 0.00 N ATOM 928 CA THR A 59 126.227 -7.401 -6.837 1.00 0.00 C ATOM 929 C THR A 59 127.447 -8.213 -6.414 1.00 0.00 C ATOM 930 O THR A 59 127.353 -9.383 -6.104 1.00 0.00 O ATOM 931 CB THR A 59 125.547 -6.751 -5.628 1.00 0.00 C ATOM 932 OG1 THR A 59 125.172 -7.749 -4.705 1.00 0.00 O ATOM 933 CG2 THR A 59 124.309 -5.977 -6.072 1.00 0.00 C ATOM 0 H THR A 59 125.073 -9.191 -6.893 1.00 0.00 H new ATOM 0 HA THR A 59 126.550 -6.628 -7.534 1.00 0.00 H new ATOM 0 HB THR A 59 126.247 -6.060 -5.158 1.00 0.00 H new ATOM 0 HG1 THR A 59 124.601 -7.356 -4.012 1.00 0.00 H new ATOM 0 HG21 THR A 59 123.835 -5.520 -5.204 1.00 0.00 H new ATOM 0 HG22 THR A 59 124.600 -5.199 -6.778 1.00 0.00 H new ATOM 0 HG23 THR A 59 123.607 -6.658 -6.552 1.00 0.00 H new ATOM 941 N LYS A 60 128.594 -7.609 -6.435 1.00 0.00 N ATOM 942 CA LYS A 60 129.832 -8.349 -6.077 1.00 0.00 C ATOM 943 C LYS A 60 129.817 -8.838 -4.624 1.00 0.00 C ATOM 944 O LYS A 60 130.235 -9.941 -4.337 1.00 0.00 O ATOM 945 CB LYS A 60 130.962 -7.348 -6.300 1.00 0.00 C ATOM 946 CG LYS A 60 132.305 -8.040 -6.079 1.00 0.00 C ATOM 947 CD LYS A 60 133.436 -7.049 -6.351 1.00 0.00 C ATOM 948 CE LYS A 60 134.782 -7.745 -6.145 1.00 0.00 C ATOM 949 NZ LYS A 60 135.801 -6.715 -6.482 1.00 0.00 N1+ ATOM 0 H LYS A 60 128.731 -6.630 -6.686 1.00 0.00 H new ATOM 0 HA LYS A 60 129.942 -9.249 -6.682 1.00 0.00 H new ATOM 0 HB2 LYS A 60 130.911 -6.945 -7.311 1.00 0.00 H new ATOM 0 HB3 LYS A 60 130.857 -6.506 -5.615 1.00 0.00 H new ATOM 0 HG2 LYS A 60 132.371 -8.413 -5.057 1.00 0.00 H new ATOM 0 HG3 LYS A 60 132.395 -8.903 -6.739 1.00 0.00 H new ATOM 0 HD2 LYS A 60 133.363 -6.668 -7.370 1.00 0.00 H new ATOM 0 HD3 LYS A 60 133.352 -6.192 -5.683 1.00 0.00 H new ATOM 0 HE2 LYS A 60 134.895 -8.091 -5.118 1.00 0.00 H new ATOM 0 HE3 LYS A 60 134.877 -8.620 -6.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 136.753 -7.117 -6.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 135.673 -6.410 -7.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 135.690 -5.897 -5.849 1.00 0.00 H new ATOM 963 N LEU A 61 129.348 -8.036 -3.703 1.00 0.00 N ATOM 964 CA LEU A 61 129.332 -8.490 -2.280 1.00 0.00 C ATOM 965 C LEU A 61 127.939 -8.984 -1.859 1.00 0.00 C ATOM 966 O LEU A 61 127.748 -9.395 -0.732 1.00 0.00 O ATOM 967 CB LEU A 61 129.735 -7.269 -1.452 1.00 0.00 C ATOM 968 CG LEU A 61 131.137 -6.806 -1.852 1.00 0.00 C ATOM 969 CD1 LEU A 61 131.463 -5.495 -1.133 1.00 0.00 C ATOM 970 CD2 LEU A 61 132.165 -7.865 -1.450 1.00 0.00 C ATOM 0 H LEU A 61 128.980 -7.099 -3.871 1.00 0.00 H new ATOM 0 HA LEU A 61 130.012 -9.329 -2.132 1.00 0.00 H new ATOM 0 HB2 LEU A 61 129.019 -6.462 -1.606 1.00 0.00 H new ATOM 0 HB3 LEU A 61 129.713 -7.516 -0.391 1.00 0.00 H new ATOM 0 HG LEU A 61 131.171 -6.656 -2.931 1.00 0.00 H new ATOM 0 HD11 LEU A 61 132.462 -5.163 -1.417 1.00 0.00 H new ATOM 0 HD12 LEU A 61 130.734 -4.735 -1.415 1.00 0.00 H new ATOM 0 HD13 LEU A 61 131.425 -5.652 -0.055 1.00 0.00 H new ATOM 0 HD21 LEU A 61 133.162 -7.531 -1.737 1.00 0.00 H new ATOM 0 HD22 LEU A 61 132.129 -8.016 -0.371 1.00 0.00 H new ATOM 0 HD23 LEU A 61 131.937 -8.804 -1.955 1.00 0.00 H new ATOM 982 N GLN A 62 126.969 -8.944 -2.745 1.00 0.00 N ATOM 983 CA GLN A 62 125.591 -9.418 -2.396 1.00 0.00 C ATOM 984 C GLN A 62 125.030 -8.643 -1.206 1.00 0.00 C ATOM 985 O GLN A 62 124.367 -9.170 -0.334 1.00 0.00 O ATOM 986 CB GLN A 62 125.739 -10.905 -2.071 1.00 0.00 C ATOM 987 CG GLN A 62 126.166 -11.647 -3.339 1.00 0.00 C ATOM 988 CD GLN A 62 126.375 -13.128 -3.028 1.00 0.00 C ATOM 989 OE1 GLN A 62 126.158 -13.565 -1.916 1.00 0.00 O ATOM 990 NE2 GLN A 62 126.785 -13.924 -3.976 1.00 0.00 N ATOM 0 H GLN A 62 127.075 -8.601 -3.700 1.00 0.00 H new ATOM 0 HA GLN A 62 124.890 -9.258 -3.215 1.00 0.00 H new ATOM 0 HB2 GLN A 62 126.479 -11.047 -1.283 1.00 0.00 H new ATOM 0 HB3 GLN A 62 124.796 -11.306 -1.699 1.00 0.00 H new ATOM 0 HG2 GLN A 62 125.406 -11.532 -4.112 1.00 0.00 H new ATOM 0 HG3 GLN A 62 127.087 -11.215 -3.731 1.00 0.00 H new ATOM 0 HE21 GLN A 62 126.967 -13.555 -4.909 1.00 0.00 H new ATOM 0 HE22 GLN A 62 126.924 -14.916 -3.784 1.00 0.00 H new ATOM 999 N ASN A 63 125.294 -7.367 -1.215 1.00 0.00 N ATOM 1000 CA ASN A 63 124.813 -6.442 -0.156 1.00 0.00 C ATOM 1001 C ASN A 63 123.765 -5.493 -0.737 1.00 0.00 C ATOM 1002 O ASN A 63 123.850 -4.289 -0.598 1.00 0.00 O ATOM 1003 CB ASN A 63 126.055 -5.667 0.287 1.00 0.00 C ATOM 1004 CG ASN A 63 127.000 -6.607 1.035 1.00 0.00 C ATOM 1005 OD1 ASN A 63 126.563 -7.554 1.657 1.00 0.00 O ATOM 1006 ND2 ASN A 63 128.286 -6.389 1.000 1.00 0.00 N ATOM 0 H ASN A 63 125.845 -6.912 -1.943 1.00 0.00 H new ATOM 0 HA ASN A 63 124.346 -6.966 0.678 1.00 0.00 H new ATOM 0 HB2 ASN A 63 126.560 -5.241 -0.580 1.00 0.00 H new ATOM 0 HB3 ASN A 63 125.768 -4.835 0.930 1.00 0.00 H new ATOM 0 HD21 ASN A 63 128.923 -7.014 1.495 1.00 0.00 H new ATOM 0 HD22 ASN A 63 128.654 -5.594 0.478 1.00 0.00 H new ATOM 1013 N GLY A 64 122.758 -6.041 -1.361 1.00 0.00 N ATOM 1014 CA GLY A 64 121.673 -5.193 -1.928 1.00 0.00 C ATOM 1015 C GLY A 64 120.496 -5.217 -0.954 1.00 0.00 C ATOM 1016 O GLY A 64 120.165 -6.247 -0.398 1.00 0.00 O ATOM 0 H GLY A 64 122.640 -7.044 -1.503 1.00 0.00 H new ATOM 0 HA2 GLY A 64 122.025 -4.172 -2.075 1.00 0.00 H new ATOM 0 HA3 GLY A 64 121.367 -5.568 -2.905 1.00 0.00 H new ATOM 1020 N VAL A 65 119.865 -4.099 -0.734 1.00 0.00 N ATOM 1021 CA VAL A 65 118.718 -4.080 0.214 1.00 0.00 C ATOM 1022 C VAL A 65 117.458 -3.575 -0.494 1.00 0.00 C ATOM 1023 O VAL A 65 117.485 -2.596 -1.207 1.00 0.00 O ATOM 1024 CB VAL A 65 119.156 -3.137 1.343 1.00 0.00 C ATOM 1025 CG1 VAL A 65 117.968 -2.810 2.256 1.00 0.00 C ATOM 1026 CG2 VAL A 65 120.249 -3.816 2.166 1.00 0.00 C ATOM 0 H VAL A 65 120.091 -3.203 -1.166 1.00 0.00 H new ATOM 0 HA VAL A 65 118.471 -5.069 0.600 1.00 0.00 H new ATOM 0 HB VAL A 65 119.533 -2.212 0.907 1.00 0.00 H new ATOM 0 HG11 VAL A 65 118.294 -2.140 3.052 1.00 0.00 H new ATOM 0 HG12 VAL A 65 117.184 -2.326 1.674 1.00 0.00 H new ATOM 0 HG13 VAL A 65 117.580 -3.731 2.693 1.00 0.00 H new ATOM 0 HG21 VAL A 65 120.565 -3.151 2.970 1.00 0.00 H new ATOM 0 HG22 VAL A 65 119.862 -4.742 2.591 1.00 0.00 H new ATOM 0 HG23 VAL A 65 121.101 -4.040 1.525 1.00 0.00 H new ATOM 1036 N LEU A 66 116.358 -4.253 -0.301 1.00 0.00 N ATOM 1037 CA LEU A 66 115.093 -3.836 -0.960 1.00 0.00 C ATOM 1038 C LEU A 66 114.038 -3.454 0.080 1.00 0.00 C ATOM 1039 O LEU A 66 113.787 -4.183 1.018 1.00 0.00 O ATOM 1040 CB LEU A 66 114.634 -5.082 -1.711 1.00 0.00 C ATOM 1041 CG LEU A 66 113.357 -4.769 -2.497 1.00 0.00 C ATOM 1042 CD1 LEU A 66 113.622 -3.612 -3.463 1.00 0.00 C ATOM 1043 CD2 LEU A 66 112.934 -6.007 -3.291 1.00 0.00 C ATOM 0 H LEU A 66 116.284 -5.082 0.289 1.00 0.00 H new ATOM 0 HA LEU A 66 115.235 -2.969 -1.605 1.00 0.00 H new ATOM 0 HB2 LEU A 66 115.417 -5.418 -2.390 1.00 0.00 H new ATOM 0 HB3 LEU A 66 114.450 -5.895 -1.009 1.00 0.00 H new ATOM 0 HG LEU A 66 112.563 -4.489 -1.805 1.00 0.00 H new ATOM 0 HD11 LEU A 66 112.713 -3.389 -4.022 1.00 0.00 H new ATOM 0 HD12 LEU A 66 113.926 -2.730 -2.900 1.00 0.00 H new ATOM 0 HD13 LEU A 66 114.415 -3.891 -4.156 1.00 0.00 H new ATOM 0 HD21 LEU A 66 112.025 -5.787 -3.851 1.00 0.00 H new ATOM 0 HD22 LEU A 66 113.729 -6.284 -3.983 1.00 0.00 H new ATOM 0 HD23 LEU A 66 112.746 -6.833 -2.605 1.00 0.00 H new ATOM 1055 N ILE A 67 113.412 -2.322 -0.092 1.00 0.00 N ATOM 1056 CA ILE A 67 112.367 -1.924 0.891 1.00 0.00 C ATOM 1057 C ILE A 67 110.989 -1.991 0.228 1.00 0.00 C ATOM 1058 O ILE A 67 110.668 -1.201 -0.637 1.00 0.00 O ATOM 1059 CB ILE A 67 112.731 -0.499 1.310 1.00 0.00 C ATOM 1060 CG1 ILE A 67 114.107 -0.512 1.981 1.00 0.00 C ATOM 1061 CG2 ILE A 67 111.688 0.032 2.295 1.00 0.00 C ATOM 1062 CD1 ILE A 67 114.594 0.925 2.182 1.00 0.00 C ATOM 0 H ILE A 67 113.575 -1.666 -0.856 1.00 0.00 H new ATOM 0 HA ILE A 67 112.325 -2.582 1.759 1.00 0.00 H new ATOM 0 HB ILE A 67 112.754 0.146 0.431 1.00 0.00 H new ATOM 0 HG12 ILE A 67 114.050 -1.025 2.941 1.00 0.00 H new ATOM 0 HG13 ILE A 67 114.817 -1.065 1.366 1.00 0.00 H new ATOM 0 HG21 ILE A 67 111.951 1.048 2.591 1.00 0.00 H new ATOM 0 HG22 ILE A 67 110.707 0.035 1.820 1.00 0.00 H new ATOM 0 HG23 ILE A 67 111.662 -0.608 3.177 1.00 0.00 H new ATOM 0 HD11 ILE A 67 115.574 0.914 2.660 1.00 0.00 H new ATOM 0 HD12 ILE A 67 114.668 1.423 1.215 1.00 0.00 H new ATOM 0 HD13 ILE A 67 113.888 1.463 2.814 1.00 0.00 H new ATOM 1074 N TYR A 68 110.173 -2.933 0.622 1.00 0.00 N ATOM 1075 CA TYR A 68 108.820 -3.052 0.006 1.00 0.00 C ATOM 1076 C TYR A 68 107.788 -2.361 0.893 1.00 0.00 C ATOM 1077 O TYR A 68 107.635 -2.680 2.052 1.00 0.00 O ATOM 1078 CB TYR A 68 108.541 -4.555 -0.055 1.00 0.00 C ATOM 1079 CG TYR A 68 107.233 -4.793 -0.767 1.00 0.00 C ATOM 1080 CD1 TYR A 68 106.028 -4.724 -0.056 1.00 0.00 C ATOM 1081 CD2 TYR A 68 107.222 -5.075 -2.139 1.00 0.00 C ATOM 1082 CE1 TYR A 68 104.813 -4.940 -0.717 1.00 0.00 C ATOM 1083 CE2 TYR A 68 106.006 -5.290 -2.798 1.00 0.00 C ATOM 1084 CZ TYR A 68 104.802 -5.223 -2.088 1.00 0.00 C ATOM 1085 OH TYR A 68 103.604 -5.438 -2.737 1.00 0.00 O ATOM 0 H TYR A 68 110.385 -3.623 1.342 1.00 0.00 H new ATOM 0 HA TYR A 68 108.770 -2.588 -0.979 1.00 0.00 H new ATOM 0 HB2 TYR A 68 109.350 -5.065 -0.577 1.00 0.00 H new ATOM 0 HB3 TYR A 68 108.500 -4.970 0.952 1.00 0.00 H new ATOM 0 HD1 TYR A 68 106.036 -4.504 1.001 1.00 0.00 H new ATOM 0 HD2 TYR A 68 108.151 -5.126 -2.688 1.00 0.00 H new ATOM 0 HE1 TYR A 68 103.884 -4.888 -0.169 1.00 0.00 H new ATOM 0 HE2 TYR A 68 105.997 -5.508 -3.856 1.00 0.00 H new ATOM 0 HH TYR A 68 103.687 -5.168 -3.675 1.00 0.00 H new ATOM 1095 N VAL A 69 107.099 -1.396 0.363 1.00 0.00 N ATOM 1096 CA VAL A 69 106.103 -0.662 1.185 1.00 0.00 C ATOM 1097 C VAL A 69 104.702 -0.745 0.568 1.00 0.00 C ATOM 1098 O VAL A 69 104.497 -0.474 -0.599 1.00 0.00 O ATOM 1099 CB VAL A 69 106.622 0.786 1.190 1.00 0.00 C ATOM 1100 CG1 VAL A 69 105.570 1.730 1.785 1.00 0.00 C ATOM 1101 CG2 VAL A 69 107.895 0.859 2.033 1.00 0.00 C ATOM 0 H VAL A 69 107.182 -1.083 -0.604 1.00 0.00 H new ATOM 0 HA VAL A 69 106.004 -1.076 2.188 1.00 0.00 H new ATOM 0 HB VAL A 69 106.831 1.091 0.164 1.00 0.00 H new ATOM 0 HG11 VAL A 69 105.953 2.750 1.781 1.00 0.00 H new ATOM 0 HG12 VAL A 69 104.659 1.682 1.188 1.00 0.00 H new ATOM 0 HG13 VAL A 69 105.349 1.429 2.809 1.00 0.00 H new ATOM 0 HG21 VAL A 69 108.268 1.883 2.041 1.00 0.00 H new ATOM 0 HG22 VAL A 69 107.674 0.546 3.053 1.00 0.00 H new ATOM 0 HG23 VAL A 69 108.652 0.200 1.607 1.00 0.00 H new ATOM 1111 N ALA A 70 103.737 -1.072 1.381 1.00 0.00 N ATOM 1112 CA ALA A 70 102.331 -1.132 0.913 1.00 0.00 C ATOM 1113 C ALA A 70 101.629 0.167 1.314 1.00 0.00 C ATOM 1114 O ALA A 70 101.171 0.305 2.431 1.00 0.00 O ATOM 1115 CB ALA A 70 101.724 -2.317 1.669 1.00 0.00 C ATOM 0 H ALA A 70 103.869 -1.303 2.366 1.00 0.00 H new ATOM 0 HA ALA A 70 102.238 -1.248 -0.167 1.00 0.00 H new ATOM 0 HB1 ALA A 70 100.679 -2.435 1.382 1.00 0.00 H new ATOM 0 HB2 ALA A 70 102.273 -3.226 1.422 1.00 0.00 H new ATOM 0 HB3 ALA A 70 101.787 -2.135 2.742 1.00 0.00 H new ATOM 1121 N VAL A 71 101.567 1.135 0.436 1.00 0.00 N ATOM 1122 CA VAL A 71 100.920 2.425 0.820 1.00 0.00 C ATOM 1123 C VAL A 71 99.435 2.222 1.112 1.00 0.00 C ATOM 1124 O VAL A 71 98.833 3.003 1.824 1.00 0.00 O ATOM 1125 CB VAL A 71 101.097 3.372 -0.367 1.00 0.00 C ATOM 1126 CG1 VAL A 71 102.580 3.624 -0.617 1.00 0.00 C ATOM 1127 CG2 VAL A 71 100.466 2.748 -1.611 1.00 0.00 C ATOM 0 H VAL A 71 101.930 1.090 -0.516 1.00 0.00 H new ATOM 0 HA VAL A 71 101.375 2.830 1.724 1.00 0.00 H new ATOM 0 HB VAL A 71 100.609 4.321 -0.145 1.00 0.00 H new ATOM 0 HG11 VAL A 71 102.696 4.300 -1.464 1.00 0.00 H new ATOM 0 HG12 VAL A 71 103.027 4.073 0.270 1.00 0.00 H new ATOM 0 HG13 VAL A 71 103.078 2.679 -0.835 1.00 0.00 H new ATOM 0 HG21 VAL A 71 100.591 3.421 -2.459 1.00 0.00 H new ATOM 0 HG22 VAL A 71 100.953 1.797 -1.828 1.00 0.00 H new ATOM 0 HG23 VAL A 71 99.404 2.580 -1.435 1.00 0.00 H new ATOM 1137 N GLU A 72 98.834 1.182 0.594 1.00 0.00 N ATOM 1138 CA GLU A 72 97.391 0.959 0.887 1.00 0.00 C ATOM 1139 C GLU A 72 97.215 0.633 2.370 1.00 0.00 C ATOM 1140 O GLU A 72 96.320 1.128 3.025 1.00 0.00 O ATOM 1141 CB GLU A 72 97.002 -0.232 0.025 1.00 0.00 C ATOM 1142 CG GLU A 72 97.060 0.172 -1.446 1.00 0.00 C ATOM 1143 CD GLU A 72 96.031 1.271 -1.713 1.00 0.00 C ATOM 1144 OE1 GLU A 72 95.106 1.396 -0.926 1.00 0.00 O1- ATOM 1145 OE2 GLU A 72 96.185 1.971 -2.700 1.00 0.00 O ATOM 0 H GLU A 72 99.274 0.488 -0.010 1.00 0.00 H new ATOM 0 HA GLU A 72 96.774 1.832 0.674 1.00 0.00 H new ATOM 0 HB2 GLU A 72 97.677 -1.067 0.212 1.00 0.00 H new ATOM 0 HB3 GLU A 72 95.998 -0.570 0.282 1.00 0.00 H new ATOM 0 HG2 GLU A 72 98.060 0.526 -1.698 1.00 0.00 H new ATOM 0 HG3 GLU A 72 96.858 -0.692 -2.080 1.00 0.00 H new ATOM 1152 N ASP A 73 98.075 -0.185 2.907 1.00 0.00 N ATOM 1153 CA ASP A 73 97.971 -0.534 4.353 1.00 0.00 C ATOM 1154 C ASP A 73 99.016 0.225 5.177 1.00 0.00 C ATOM 1155 O ASP A 73 99.154 0.009 6.366 1.00 0.00 O ATOM 1156 CB ASP A 73 98.223 -2.039 4.411 1.00 0.00 C ATOM 1157 CG ASP A 73 97.064 -2.778 3.732 1.00 0.00 C ATOM 1158 OD1 ASP A 73 96.048 -2.149 3.469 1.00 0.00 O1- ATOM 1159 OD2 ASP A 73 97.211 -3.961 3.482 1.00 0.00 O ATOM 0 H ASP A 73 98.846 -0.628 2.408 1.00 0.00 H new ATOM 0 HA ASP A 73 97.001 -0.263 4.770 1.00 0.00 H new ATOM 0 HB2 ASP A 73 99.163 -2.280 3.915 1.00 0.00 H new ATOM 0 HB3 ASP A 73 98.317 -2.363 5.447 1.00 0.00 H new ATOM 1164 N LYS A 74 99.759 1.114 4.562 1.00 0.00 N ATOM 1165 CA LYS A 74 100.791 1.877 5.318 1.00 0.00 C ATOM 1166 C LYS A 74 101.754 0.921 6.015 1.00 0.00 C ATOM 1167 O LYS A 74 102.045 1.059 7.187 1.00 0.00 O ATOM 1168 CB LYS A 74 100.019 2.700 6.347 1.00 0.00 C ATOM 1169 CG LYS A 74 100.626 4.097 6.444 1.00 0.00 C ATOM 1170 CD LYS A 74 99.756 4.955 7.359 1.00 0.00 C ATOM 1171 CE LYS A 74 100.362 6.350 7.480 1.00 0.00 C ATOM 1172 NZ LYS A 74 99.458 7.084 8.406 1.00 0.00 N1+ ATOM 0 H LYS A 74 99.692 1.341 3.570 1.00 0.00 H new ATOM 0 HA LYS A 74 101.389 2.509 4.661 1.00 0.00 H new ATOM 0 HB2 LYS A 74 98.970 2.767 6.060 1.00 0.00 H new ATOM 0 HB3 LYS A 74 100.053 2.209 7.320 1.00 0.00 H new ATOM 0 HG2 LYS A 74 101.642 4.040 6.835 1.00 0.00 H new ATOM 0 HG3 LYS A 74 100.691 4.549 5.454 1.00 0.00 H new ATOM 0 HD2 LYS A 74 98.744 5.020 6.959 1.00 0.00 H new ATOM 0 HD3 LYS A 74 99.680 4.494 8.344 1.00 0.00 H new ATOM 0 HE2 LYS A 74 101.378 6.306 7.873 1.00 0.00 H new ATOM 0 HE3 LYS A 74 100.416 6.842 6.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 99.810 8.054 8.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 98.500 7.116 8.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 99.431 6.596 9.324 1.00 0.00 H new ATOM 1186 N THR A 75 102.243 -0.057 5.308 1.00 0.00 N ATOM 1187 CA THR A 75 103.179 -1.030 5.941 1.00 0.00 C ATOM 1188 C THR A 75 104.492 -1.055 5.158 1.00 0.00 C ATOM 1189 O THR A 75 104.562 -0.611 4.030 1.00 0.00 O ATOM 1190 CB THR A 75 102.477 -2.390 5.856 1.00 0.00 C ATOM 1191 OG1 THR A 75 102.420 -2.799 4.496 1.00 0.00 O ATOM 1192 CG2 THR A 75 101.055 -2.281 6.419 1.00 0.00 C ATOM 0 H THR A 75 102.037 -0.226 4.323 1.00 0.00 H new ATOM 0 HA THR A 75 103.415 -0.769 6.973 1.00 0.00 H new ATOM 0 HB THR A 75 103.034 -3.123 6.440 1.00 0.00 H new ATOM 0 HG1 THR A 75 101.974 -3.669 4.435 1.00 0.00 H new ATOM 0 HG21 THR A 75 100.563 -3.252 6.355 1.00 0.00 H new ATOM 0 HG22 THR A 75 101.100 -1.965 7.461 1.00 0.00 H new ATOM 0 HG23 THR A 75 100.490 -1.549 5.842 1.00 0.00 H new ATOM 1200 N PHE A 76 105.534 -1.565 5.754 1.00 0.00 N ATOM 1201 CA PHE A 76 106.849 -1.618 5.057 1.00 0.00 C ATOM 1202 C PHE A 76 107.593 -2.905 5.435 1.00 0.00 C ATOM 1203 O PHE A 76 107.565 -3.339 6.571 1.00 0.00 O ATOM 1204 CB PHE A 76 107.605 -0.386 5.578 1.00 0.00 C ATOM 1205 CG PHE A 76 107.829 -0.513 7.070 1.00 0.00 C ATOM 1206 CD1 PHE A 76 106.865 -0.044 7.967 1.00 0.00 C ATOM 1207 CD2 PHE A 76 108.998 -1.117 7.546 1.00 0.00 C ATOM 1208 CE1 PHE A 76 107.073 -0.175 9.345 1.00 0.00 C ATOM 1209 CE2 PHE A 76 109.206 -1.246 8.923 1.00 0.00 C ATOM 1210 CZ PHE A 76 108.243 -0.779 9.822 1.00 0.00 C ATOM 0 H PHE A 76 105.531 -1.949 6.699 1.00 0.00 H new ATOM 0 HA PHE A 76 106.752 -1.616 3.971 1.00 0.00 H new ATOM 0 HB2 PHE A 76 108.562 -0.291 5.064 1.00 0.00 H new ATOM 0 HB3 PHE A 76 107.037 0.519 5.362 1.00 0.00 H new ATOM 0 HD1 PHE A 76 105.962 0.418 7.598 1.00 0.00 H new ATOM 0 HD2 PHE A 76 109.739 -1.483 6.851 1.00 0.00 H new ATOM 0 HE1 PHE A 76 106.331 0.190 10.040 1.00 0.00 H new ATOM 0 HE2 PHE A 76 110.111 -1.706 9.292 1.00 0.00 H new ATOM 0 HZ PHE A 76 108.401 -0.884 10.885 1.00 0.00 H new ATOM 1220 N VAL A 77 108.269 -3.497 4.499 1.00 0.00 N ATOM 1221 CA VAL A 77 109.034 -4.737 4.789 1.00 0.00 C ATOM 1222 C VAL A 77 110.448 -4.571 4.225 1.00 0.00 C ATOM 1223 O VAL A 77 110.607 -4.140 3.097 1.00 0.00 O ATOM 1224 CB VAL A 77 108.257 -5.839 4.057 1.00 0.00 C ATOM 1225 CG1 VAL A 77 109.081 -7.129 4.011 1.00 0.00 C ATOM 1226 CG2 VAL A 77 106.945 -6.106 4.804 1.00 0.00 C ATOM 0 H VAL A 77 108.326 -3.172 3.534 1.00 0.00 H new ATOM 0 HA VAL A 77 109.134 -4.966 5.850 1.00 0.00 H new ATOM 0 HB VAL A 77 108.051 -5.513 3.037 1.00 0.00 H new ATOM 0 HG11 VAL A 77 108.517 -7.902 3.489 1.00 0.00 H new ATOM 0 HG12 VAL A 77 110.017 -6.944 3.484 1.00 0.00 H new ATOM 0 HG13 VAL A 77 109.296 -7.460 5.027 1.00 0.00 H new ATOM 0 HG21 VAL A 77 106.386 -6.888 4.290 1.00 0.00 H new ATOM 0 HG22 VAL A 77 107.165 -6.426 5.822 1.00 0.00 H new ATOM 0 HG23 VAL A 77 106.350 -5.193 4.831 1.00 0.00 H new ATOM 1236 N ILE A 78 111.470 -4.900 4.968 1.00 0.00 N ATOM 1237 CA ILE A 78 112.842 -4.737 4.415 1.00 0.00 C ATOM 1238 C ILE A 78 113.506 -6.102 4.214 1.00 0.00 C ATOM 1239 O ILE A 78 113.644 -6.886 5.130 1.00 0.00 O ATOM 1240 CB ILE A 78 113.585 -3.897 5.455 1.00 0.00 C ATOM 1241 CG1 ILE A 78 112.840 -2.576 5.661 1.00 0.00 C ATOM 1242 CG2 ILE A 78 115.001 -3.599 4.953 1.00 0.00 C ATOM 1243 CD1 ILE A 78 113.454 -1.820 6.841 1.00 0.00 C ATOM 0 H ILE A 78 111.416 -5.268 5.918 1.00 0.00 H new ATOM 0 HA ILE A 78 112.845 -4.257 3.437 1.00 0.00 H new ATOM 0 HB ILE A 78 113.637 -4.445 6.396 1.00 0.00 H new ATOM 0 HG12 ILE A 78 112.898 -1.969 4.757 1.00 0.00 H new ATOM 0 HG13 ILE A 78 111.784 -2.768 5.849 1.00 0.00 H new ATOM 0 HG21 ILE A 78 115.531 -3.000 5.694 1.00 0.00 H new ATOM 0 HG22 ILE A 78 115.535 -4.536 4.794 1.00 0.00 H new ATOM 0 HG23 ILE A 78 114.946 -3.049 4.014 1.00 0.00 H new ATOM 0 HD11 ILE A 78 112.923 -0.879 6.987 1.00 0.00 H new ATOM 0 HD12 ILE A 78 113.373 -2.426 7.743 1.00 0.00 H new ATOM 0 HD13 ILE A 78 114.505 -1.615 6.635 1.00 0.00 H new ATOM 1255 N TYR A 79 113.911 -6.391 3.008 1.00 0.00 N ATOM 1256 CA TYR A 79 114.568 -7.700 2.731 1.00 0.00 C ATOM 1257 C TYR A 79 115.887 -7.486 1.988 1.00 0.00 C ATOM 1258 O TYR A 79 115.904 -7.089 0.839 1.00 0.00 O ATOM 1259 CB TYR A 79 113.586 -8.481 1.856 1.00 0.00 C ATOM 1260 CG TYR A 79 114.149 -9.860 1.608 1.00 0.00 C ATOM 1261 CD1 TYR A 79 114.208 -10.784 2.657 1.00 0.00 C ATOM 1262 CD2 TYR A 79 114.619 -10.214 0.335 1.00 0.00 C ATOM 1263 CE1 TYR A 79 114.738 -12.062 2.439 1.00 0.00 C ATOM 1264 CE2 TYR A 79 115.148 -11.494 0.117 1.00 0.00 C ATOM 1265 CZ TYR A 79 115.208 -12.417 1.168 1.00 0.00 C ATOM 1266 OH TYR A 79 115.732 -13.676 0.955 1.00 0.00 O ATOM 0 H TYR A 79 113.815 -5.776 2.200 1.00 0.00 H new ATOM 0 HA TYR A 79 114.800 -8.236 3.651 1.00 0.00 H new ATOM 0 HB2 TYR A 79 112.616 -8.552 2.348 1.00 0.00 H new ATOM 0 HB3 TYR A 79 113.427 -7.962 0.911 1.00 0.00 H new ATOM 0 HD1 TYR A 79 113.844 -10.511 3.637 1.00 0.00 H new ATOM 0 HD2 TYR A 79 114.574 -9.502 -0.476 1.00 0.00 H new ATOM 0 HE1 TYR A 79 114.784 -12.773 3.250 1.00 0.00 H new ATOM 0 HE2 TYR A 79 115.510 -11.768 -0.863 1.00 0.00 H new ATOM 0 HH TYR A 79 116.011 -13.760 0.019 1.00 0.00 H new ATOM 1276 N GLY A 80 116.993 -7.754 2.628 1.00 0.00 N ATOM 1277 CA GLY A 80 118.300 -7.569 1.948 1.00 0.00 C ATOM 1278 C GLY A 80 118.756 -8.890 1.338 1.00 0.00 C ATOM 1279 O GLY A 80 118.135 -9.920 1.510 1.00 0.00 O ATOM 0 H GLY A 80 117.045 -8.092 3.589 1.00 0.00 H new ATOM 0 HA2 GLY A 80 118.212 -6.810 1.171 1.00 0.00 H new ATOM 0 HA3 GLY A 80 119.043 -7.211 2.660 1.00 0.00 H new ATOM 1283 N ASP A 81 119.838 -8.855 0.615 1.00 0.00 N ATOM 1284 CA ASP A 81 120.354 -10.096 -0.028 1.00 0.00 C ATOM 1285 C ASP A 81 121.074 -10.962 1.013 1.00 0.00 C ATOM 1286 O ASP A 81 121.211 -10.584 2.161 1.00 0.00 O ATOM 1287 CB ASP A 81 121.319 -9.601 -1.112 1.00 0.00 C ATOM 1288 CG ASP A 81 121.737 -10.764 -2.013 1.00 0.00 C ATOM 1289 OD1 ASP A 81 121.015 -11.749 -2.047 1.00 0.00 O1- ATOM 1290 OD2 ASP A 81 122.775 -10.659 -2.642 1.00 0.00 O ATOM 0 H ASP A 81 120.391 -8.016 0.440 1.00 0.00 H new ATOM 0 HA ASP A 81 119.564 -10.716 -0.451 1.00 0.00 H new ATOM 0 HB2 ASP A 81 120.841 -8.823 -1.707 1.00 0.00 H new ATOM 0 HB3 ASP A 81 122.199 -9.154 -0.650 1.00 0.00 H new ATOM 1295 N LYS A 82 121.522 -12.127 0.630 1.00 0.00 N ATOM 1296 CA LYS A 82 122.219 -13.021 1.596 1.00 0.00 C ATOM 1297 C LYS A 82 123.476 -12.349 2.150 1.00 0.00 C ATOM 1298 O LYS A 82 123.926 -12.651 3.237 1.00 0.00 O ATOM 1299 CB LYS A 82 122.595 -14.263 0.792 1.00 0.00 C ATOM 1300 CG LYS A 82 121.330 -15.029 0.415 1.00 0.00 C ATOM 1301 CD LYS A 82 121.713 -16.257 -0.409 1.00 0.00 C ATOM 1302 CE LYS A 82 120.448 -17.026 -0.788 1.00 0.00 C ATOM 1303 NZ LYS A 82 120.931 -18.190 -1.580 1.00 0.00 N1+ ATOM 0 H LYS A 82 121.434 -12.499 -0.316 1.00 0.00 H new ATOM 0 HA LYS A 82 121.587 -13.259 2.452 1.00 0.00 H new ATOM 0 HB2 LYS A 82 123.140 -13.976 -0.107 1.00 0.00 H new ATOM 0 HB3 LYS A 82 123.258 -14.901 1.377 1.00 0.00 H new ATOM 0 HG2 LYS A 82 120.793 -15.332 1.314 1.00 0.00 H new ATOM 0 HG3 LYS A 82 120.659 -14.388 -0.156 1.00 0.00 H new ATOM 0 HD2 LYS A 82 122.250 -15.953 -1.307 1.00 0.00 H new ATOM 0 HD3 LYS A 82 122.384 -16.898 0.163 1.00 0.00 H new ATOM 0 HE2 LYS A 82 119.902 -17.350 0.098 1.00 0.00 H new ATOM 0 HE3 LYS A 82 119.768 -16.405 -1.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 120.119 -18.768 -1.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 121.441 -17.850 -2.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 121.571 -18.766 -0.996 1.00 0.00 H new ATOM 1317 N GLY A 83 124.052 -11.447 1.404 1.00 0.00 N ATOM 1318 CA GLY A 83 125.287 -10.770 1.883 1.00 0.00 C ATOM 1319 C GLY A 83 124.981 -9.916 3.112 1.00 0.00 C ATOM 1320 O GLY A 83 125.660 -10.014 4.118 1.00 0.00 O ATOM 0 H GLY A 83 123.721 -11.151 0.486 1.00 0.00 H new ATOM 0 HA2 GLY A 83 126.046 -11.513 2.128 1.00 0.00 H new ATOM 0 HA3 GLY A 83 125.698 -10.145 1.090 1.00 0.00 H new ATOM 1324 N ILE A 84 123.961 -9.093 3.063 1.00 0.00 N ATOM 1325 CA ILE A 84 123.645 -8.271 4.264 1.00 0.00 C ATOM 1326 C ILE A 84 123.235 -9.218 5.396 1.00 0.00 C ATOM 1327 O ILE A 84 123.637 -9.066 6.511 1.00 0.00 O ATOM 1328 CB ILE A 84 122.479 -7.366 3.841 1.00 0.00 C ATOM 1329 CG1 ILE A 84 122.962 -6.333 2.815 1.00 0.00 C ATOM 1330 CG2 ILE A 84 121.917 -6.636 5.063 1.00 0.00 C ATOM 1331 CD1 ILE A 84 122.045 -6.376 1.591 1.00 0.00 C ATOM 0 H ILE A 84 123.347 -8.959 2.259 1.00 0.00 H new ATOM 0 HA ILE A 84 124.485 -7.673 4.617 1.00 0.00 H new ATOM 0 HB ILE A 84 121.700 -7.984 3.395 1.00 0.00 H new ATOM 0 HG12 ILE A 84 122.956 -5.336 3.254 1.00 0.00 H new ATOM 0 HG13 ILE A 84 123.990 -6.546 2.522 1.00 0.00 H new ATOM 0 HG21 ILE A 84 121.090 -5.996 4.756 1.00 0.00 H new ATOM 0 HG22 ILE A 84 121.560 -7.365 5.790 1.00 0.00 H new ATOM 0 HG23 ILE A 84 122.700 -6.026 5.514 1.00 0.00 H new ATOM 0 HD11 ILE A 84 122.383 -5.644 0.857 1.00 0.00 H new ATOM 0 HD12 ILE A 84 122.074 -7.372 1.149 1.00 0.00 H new ATOM 0 HD13 ILE A 84 121.024 -6.143 1.893 1.00 0.00 H new ATOM 1343 N ASN A 85 122.408 -10.180 5.114 1.00 0.00 N ATOM 1344 CA ASN A 85 121.938 -11.104 6.189 1.00 0.00 C ATOM 1345 C ASN A 85 123.078 -11.938 6.781 1.00 0.00 C ATOM 1346 O ASN A 85 123.085 -12.233 7.960 1.00 0.00 O ATOM 1347 CB ASN A 85 120.894 -12.003 5.525 1.00 0.00 C ATOM 1348 CG ASN A 85 119.629 -11.190 5.241 1.00 0.00 C ATOM 1349 OD1 ASN A 85 119.442 -10.124 5.795 1.00 0.00 O ATOM 1350 ND2 ASN A 85 118.740 -11.652 4.405 1.00 0.00 N ATOM 0 H ASN A 85 122.034 -10.371 4.185 1.00 0.00 H new ATOM 0 HA ASN A 85 121.527 -10.543 7.028 1.00 0.00 H new ATOM 0 HB2 ASN A 85 121.290 -12.415 4.597 1.00 0.00 H new ATOM 0 HB3 ASN A 85 120.659 -12.847 6.174 1.00 0.00 H new ATOM 0 HD21 ASN A 85 117.891 -11.119 4.218 1.00 0.00 H new ATOM 0 HD22 ASN A 85 118.894 -12.546 3.939 1.00 0.00 H new ATOM 1357 N ASP A 86 124.031 -12.336 5.987 1.00 0.00 N ATOM 1358 CA ASP A 86 125.154 -13.164 6.519 1.00 0.00 C ATOM 1359 C ASP A 86 126.183 -12.325 7.286 1.00 0.00 C ATOM 1360 O ASP A 86 126.944 -12.844 8.080 1.00 0.00 O ATOM 1361 CB ASP A 86 125.810 -13.745 5.265 1.00 0.00 C ATOM 1362 CG ASP A 86 124.883 -14.787 4.638 1.00 0.00 C ATOM 1363 OD1 ASP A 86 124.013 -15.277 5.339 1.00 0.00 O ATOM 1364 OD2 ASP A 86 125.054 -15.073 3.464 1.00 0.00 O1- ATOM 0 H ASP A 86 124.083 -12.125 4.991 1.00 0.00 H new ATOM 0 HA ASP A 86 124.792 -13.915 7.222 1.00 0.00 H new ATOM 0 HB2 ASP A 86 126.017 -12.950 4.549 1.00 0.00 H new ATOM 0 HB3 ASP A 86 126.766 -14.201 5.521 1.00 0.00 H new ATOM 1369 N VAL A 87 126.246 -11.045 7.037 1.00 0.00 N ATOM 1370 CA VAL A 87 127.267 -10.207 7.737 1.00 0.00 C ATOM 1371 C VAL A 87 126.670 -9.406 8.907 1.00 0.00 C ATOM 1372 O VAL A 87 127.382 -8.997 9.803 1.00 0.00 O ATOM 1373 CB VAL A 87 127.804 -9.269 6.643 1.00 0.00 C ATOM 1374 CG1 VAL A 87 126.724 -8.267 6.235 1.00 0.00 C ATOM 1375 CG2 VAL A 87 129.018 -8.508 7.173 1.00 0.00 C ATOM 0 H VAL A 87 125.641 -10.545 6.385 1.00 0.00 H new ATOM 0 HA VAL A 87 128.045 -10.822 8.189 1.00 0.00 H new ATOM 0 HB VAL A 87 128.090 -9.865 5.776 1.00 0.00 H new ATOM 0 HG11 VAL A 87 127.114 -7.607 5.460 1.00 0.00 H new ATOM 0 HG12 VAL A 87 125.856 -8.804 5.852 1.00 0.00 H new ATOM 0 HG13 VAL A 87 126.431 -7.675 7.102 1.00 0.00 H new ATOM 0 HG21 VAL A 87 129.398 -7.843 6.397 1.00 0.00 H new ATOM 0 HG22 VAL A 87 128.727 -7.920 8.044 1.00 0.00 H new ATOM 0 HG23 VAL A 87 129.796 -9.217 7.457 1.00 0.00 H new ATOM 1385 N VAL A 88 125.387 -9.142 8.900 1.00 0.00 N ATOM 1386 CA VAL A 88 124.802 -8.330 10.015 1.00 0.00 C ATOM 1387 C VAL A 88 123.762 -9.134 10.808 1.00 0.00 C ATOM 1388 O VAL A 88 123.290 -10.165 10.369 1.00 0.00 O ATOM 1389 CB VAL A 88 124.153 -7.106 9.346 1.00 0.00 C ATOM 1390 CG1 VAL A 88 125.164 -6.430 8.415 1.00 0.00 C ATOM 1391 CG2 VAL A 88 122.918 -7.532 8.551 1.00 0.00 C ATOM 0 H VAL A 88 124.728 -9.447 8.184 1.00 0.00 H new ATOM 0 HA VAL A 88 125.569 -8.038 10.732 1.00 0.00 H new ATOM 0 HB VAL A 88 123.847 -6.400 10.119 1.00 0.00 H new ATOM 0 HG11 VAL A 88 124.701 -5.564 7.943 1.00 0.00 H new ATOM 0 HG12 VAL A 88 126.031 -6.109 8.992 1.00 0.00 H new ATOM 0 HG13 VAL A 88 125.480 -7.136 7.647 1.00 0.00 H new ATOM 0 HG21 VAL A 88 122.467 -6.657 8.082 1.00 0.00 H new ATOM 0 HG22 VAL A 88 123.209 -8.247 7.781 1.00 0.00 H new ATOM 0 HG23 VAL A 88 122.196 -7.996 9.222 1.00 0.00 H new ATOM 1401 N SER A 89 123.414 -8.665 11.974 1.00 0.00 N ATOM 1402 CA SER A 89 122.418 -9.392 12.812 1.00 0.00 C ATOM 1403 C SER A 89 121.071 -8.655 12.864 1.00 0.00 C ATOM 1404 O SER A 89 120.923 -7.557 12.357 1.00 0.00 O ATOM 1405 CB SER A 89 123.052 -9.438 14.205 1.00 0.00 C ATOM 1406 OG SER A 89 122.031 -9.532 15.192 1.00 0.00 O ATOM 0 H SER A 89 123.778 -7.805 12.385 1.00 0.00 H new ATOM 0 HA SER A 89 122.201 -10.381 12.409 1.00 0.00 H new ATOM 0 HB2 SER A 89 123.725 -10.292 14.281 1.00 0.00 H new ATOM 0 HB3 SER A 89 123.652 -8.543 14.372 1.00 0.00 H new ATOM 0 HG SER A 89 122.439 -9.563 16.083 1.00 0.00 H new ATOM 1412 N ASP A 90 120.085 -9.253 13.486 1.00 0.00 N ATOM 1413 CA ASP A 90 118.752 -8.591 13.583 1.00 0.00 C ATOM 1414 C ASP A 90 118.874 -7.274 14.345 1.00 0.00 C ATOM 1415 O ASP A 90 118.236 -6.294 14.016 1.00 0.00 O ATOM 1416 CB ASP A 90 117.866 -9.570 14.356 1.00 0.00 C ATOM 1417 CG ASP A 90 117.275 -10.602 13.392 1.00 0.00 C ATOM 1418 OD1 ASP A 90 117.275 -10.340 12.199 1.00 0.00 O ATOM 1419 OD2 ASP A 90 116.830 -11.635 13.862 1.00 0.00 O1- ATOM 0 H ASP A 90 120.148 -10.169 13.929 1.00 0.00 H new ATOM 0 HA ASP A 90 118.339 -8.360 12.601 1.00 0.00 H new ATOM 0 HB2 ASP A 90 118.449 -10.072 15.128 1.00 0.00 H new ATOM 0 HB3 ASP A 90 117.065 -9.030 14.861 1.00 0.00 H new ATOM 1424 N ASP A 91 119.699 -7.235 15.352 1.00 0.00 N ATOM 1425 CA ASP A 91 119.865 -5.971 16.116 1.00 0.00 C ATOM 1426 C ASP A 91 120.379 -4.886 15.169 1.00 0.00 C ATOM 1427 O ASP A 91 119.982 -3.740 15.249 1.00 0.00 O ATOM 1428 CB ASP A 91 120.887 -6.287 17.210 1.00 0.00 C ATOM 1429 CG ASP A 91 121.011 -5.098 18.170 1.00 0.00 C ATOM 1430 OD1 ASP A 91 120.450 -4.053 17.876 1.00 0.00 O1- ATOM 1431 OD2 ASP A 91 121.669 -5.251 19.185 1.00 0.00 O ATOM 0 H ASP A 91 120.263 -8.020 15.677 1.00 0.00 H new ATOM 0 HA ASP A 91 118.934 -5.609 16.552 1.00 0.00 H new ATOM 0 HB2 ASP A 91 120.581 -7.178 17.759 1.00 0.00 H new ATOM 0 HB3 ASP A 91 121.856 -6.506 16.762 1.00 0.00 H new ATOM 1436 N PHE A 92 121.226 -5.245 14.247 1.00 0.00 N ATOM 1437 CA PHE A 92 121.722 -4.239 13.271 1.00 0.00 C ATOM 1438 C PHE A 92 120.569 -3.794 12.364 1.00 0.00 C ATOM 1439 O PHE A 92 120.579 -2.714 11.807 1.00 0.00 O ATOM 1440 CB PHE A 92 122.827 -4.938 12.477 1.00 0.00 C ATOM 1441 CG PHE A 92 123.307 -4.026 11.374 1.00 0.00 C ATOM 1442 CD1 PHE A 92 124.265 -3.042 11.642 1.00 0.00 C ATOM 1443 CD2 PHE A 92 122.786 -4.162 10.082 1.00 0.00 C ATOM 1444 CE1 PHE A 92 124.700 -2.193 10.619 1.00 0.00 C ATOM 1445 CE2 PHE A 92 123.221 -3.313 9.057 1.00 0.00 C ATOM 1446 CZ PHE A 92 124.179 -2.328 9.326 1.00 0.00 C ATOM 0 H PHE A 92 121.595 -6.188 14.127 1.00 0.00 H new ATOM 0 HA PHE A 92 122.109 -3.342 13.754 1.00 0.00 H new ATOM 0 HB2 PHE A 92 123.656 -5.196 13.136 1.00 0.00 H new ATOM 0 HB3 PHE A 92 122.452 -5.871 12.055 1.00 0.00 H new ATOM 0 HD1 PHE A 92 124.668 -2.938 12.638 1.00 0.00 H new ATOM 0 HD2 PHE A 92 122.048 -4.923 9.875 1.00 0.00 H new ATOM 0 HE1 PHE A 92 125.438 -1.433 10.826 1.00 0.00 H new ATOM 0 HE2 PHE A 92 122.818 -3.418 8.060 1.00 0.00 H new ATOM 0 HZ PHE A 92 124.516 -1.672 8.537 1.00 0.00 H new ATOM 1456 N TRP A 93 119.579 -4.632 12.207 1.00 0.00 N ATOM 1457 CA TRP A 93 118.418 -4.280 11.332 1.00 0.00 C ATOM 1458 C TRP A 93 117.333 -3.530 12.121 1.00 0.00 C ATOM 1459 O TRP A 93 116.524 -2.816 11.575 1.00 0.00 O ATOM 1460 CB TRP A 93 117.871 -5.627 10.866 1.00 0.00 C ATOM 1461 CG TRP A 93 118.466 -5.992 9.545 1.00 0.00 C ATOM 1462 CD1 TRP A 93 119.751 -6.361 9.343 1.00 0.00 C ATOM 1463 CD2 TRP A 93 117.816 -6.036 8.245 1.00 0.00 C ATOM 1464 NE1 TRP A 93 119.930 -6.628 7.996 1.00 0.00 N ATOM 1465 CE2 TRP A 93 118.766 -6.442 7.278 1.00 0.00 C ATOM 1466 CE3 TRP A 93 116.503 -5.769 7.817 1.00 0.00 C ATOM 1467 CZ2 TRP A 93 118.426 -6.569 5.928 1.00 0.00 C ATOM 1468 CZ3 TRP A 93 116.159 -5.898 6.465 1.00 0.00 C ATOM 1469 CH2 TRP A 93 117.115 -6.299 5.522 1.00 0.00 C ATOM 0 H TRP A 93 119.523 -5.550 12.648 1.00 0.00 H new ATOM 0 HA TRP A 93 118.716 -3.628 10.511 1.00 0.00 H new ATOM 0 HB2 TRP A 93 118.101 -6.397 11.603 1.00 0.00 H new ATOM 0 HB3 TRP A 93 116.785 -5.579 10.784 1.00 0.00 H new ATOM 0 HD1 TRP A 93 120.512 -6.435 10.106 1.00 0.00 H new ATOM 0 HE1 TRP A 93 120.814 -6.926 7.585 1.00 0.00 H new ATOM 0 HE3 TRP A 93 115.756 -5.463 8.534 1.00 0.00 H new ATOM 0 HZ2 TRP A 93 119.169 -6.873 5.205 1.00 0.00 H new ATOM 0 HZ3 TRP A 93 115.149 -5.687 6.147 1.00 0.00 H new ATOM 0 HH2 TRP A 93 116.840 -6.399 4.483 1.00 0.00 H new ATOM 1480 N ASP A 94 117.269 -3.756 13.398 1.00 0.00 N ATOM 1481 CA ASP A 94 116.194 -3.134 14.225 1.00 0.00 C ATOM 1482 C ASP A 94 116.166 -1.610 14.102 1.00 0.00 C ATOM 1483 O ASP A 94 115.101 -1.021 14.058 1.00 0.00 O ATOM 1484 CB ASP A 94 116.519 -3.553 15.657 1.00 0.00 C ATOM 1485 CG ASP A 94 115.927 -4.940 15.940 1.00 0.00 C ATOM 1486 OD1 ASP A 94 115.201 -5.447 15.098 1.00 0.00 O1- ATOM 1487 OD2 ASP A 94 116.215 -5.476 16.996 1.00 0.00 O ATOM 0 H ASP A 94 117.919 -4.350 13.913 1.00 0.00 H new ATOM 0 HA ASP A 94 115.208 -3.463 13.898 1.00 0.00 H new ATOM 0 HB2 ASP A 94 117.599 -3.572 15.804 1.00 0.00 H new ATOM 0 HB3 ASP A 94 116.114 -2.825 16.360 1.00 0.00 H new ATOM 1492 N THR A 95 117.300 -0.956 14.068 1.00 0.00 N ATOM 1493 CA THR A 95 117.261 0.533 13.974 1.00 0.00 C ATOM 1494 C THR A 95 116.632 0.939 12.633 1.00 0.00 C ATOM 1495 O THR A 95 115.986 1.960 12.508 1.00 0.00 O ATOM 1496 CB THR A 95 118.712 0.992 14.077 1.00 0.00 C ATOM 1497 OG1 THR A 95 119.459 0.428 13.009 1.00 0.00 O ATOM 1498 CG2 THR A 95 119.299 0.530 15.410 1.00 0.00 C ATOM 0 H THR A 95 118.229 -1.376 14.100 1.00 0.00 H new ATOM 0 HA THR A 95 116.660 0.991 14.760 1.00 0.00 H new ATOM 0 HB THR A 95 118.757 2.080 14.020 1.00 0.00 H new ATOM 0 HG1 THR A 95 120.392 0.722 13.071 1.00 0.00 H new ATOM 0 HG21 THR A 95 120.336 0.858 15.484 1.00 0.00 H new ATOM 0 HG22 THR A 95 118.723 0.960 16.230 1.00 0.00 H new ATOM 0 HG23 THR A 95 119.257 -0.558 15.469 1.00 0.00 H new ATOM 1506 N THR A 96 116.831 0.116 11.638 1.00 0.00 N ATOM 1507 CA THR A 96 116.271 0.382 10.274 1.00 0.00 C ATOM 1508 C THR A 96 114.745 0.464 10.316 1.00 0.00 C ATOM 1509 O THR A 96 114.123 1.374 9.797 1.00 0.00 O ATOM 1510 CB THR A 96 116.646 -0.875 9.486 1.00 0.00 C ATOM 1511 OG1 THR A 96 118.016 -1.184 9.710 1.00 0.00 O ATOM 1512 CG2 THR A 96 116.414 -0.633 8.000 1.00 0.00 C ATOM 0 H THR A 96 117.369 -0.748 11.712 1.00 0.00 H new ATOM 0 HA THR A 96 116.646 1.316 9.856 1.00 0.00 H new ATOM 0 HB THR A 96 116.027 -1.709 9.817 1.00 0.00 H new ATOM 0 HG1 THR A 96 118.298 -1.888 9.090 1.00 0.00 H new ATOM 0 HG21 THR A 96 116.681 -1.529 7.439 1.00 0.00 H new ATOM 0 HG22 THR A 96 115.363 -0.398 7.829 1.00 0.00 H new ATOM 0 HG23 THR A 96 117.031 0.201 7.667 1.00 0.00 H new ATOM 1520 N ARG A 97 114.151 -0.520 10.939 1.00 0.00 N ATOM 1521 CA ARG A 97 112.666 -0.586 11.046 1.00 0.00 C ATOM 1522 C ARG A 97 112.113 0.524 11.939 1.00 0.00 C ATOM 1523 O ARG A 97 111.059 1.068 11.672 1.00 0.00 O ATOM 1524 CB ARG A 97 112.383 -1.950 11.682 1.00 0.00 C ATOM 1525 CG ARG A 97 112.711 -3.069 10.692 1.00 0.00 C ATOM 1526 CD ARG A 97 112.423 -4.421 11.351 1.00 0.00 C ATOM 1527 NE ARG A 97 112.797 -5.444 10.335 1.00 0.00 N ATOM 1528 CZ ARG A 97 112.634 -6.713 10.595 1.00 0.00 C ATOM 1529 NH1 ARG A 97 113.543 -7.363 11.270 1.00 0.00 N ATOM 1530 NH2 ARG A 97 111.562 -7.332 10.179 1.00 0.00 N1+ ATOM 0 H ARG A 97 114.643 -1.294 11.386 1.00 0.00 H new ATOM 0 HA ARG A 97 112.194 -0.460 10.072 1.00 0.00 H new ATOM 0 HB2 ARG A 97 112.978 -2.069 12.587 1.00 0.00 H new ATOM 0 HB3 ARG A 97 111.336 -2.012 11.979 1.00 0.00 H new ATOM 0 HG2 ARG A 97 112.114 -2.957 9.787 1.00 0.00 H new ATOM 0 HG3 ARG A 97 113.758 -3.012 10.393 1.00 0.00 H new ATOM 0 HD2 ARG A 97 113.004 -4.544 12.265 1.00 0.00 H new ATOM 0 HD3 ARG A 97 111.372 -4.508 11.627 1.00 0.00 H new ATOM 0 HE ARG A 97 113.181 -5.153 9.436 1.00 0.00 H new ATOM 0 HH11 ARG A 97 114.380 -6.879 11.594 1.00 0.00 H new ATOM 0 HH12 ARG A 97 113.416 -8.354 11.473 1.00 0.00 H new ATOM 0 HH21 ARG A 97 110.852 -6.824 9.651 1.00 0.00 H new ATOM 0 HH22 ARG A 97 111.434 -8.323 10.382 1.00 0.00 H new ATOM 1544 N ASN A 98 112.784 0.849 13.012 1.00 0.00 N ATOM 1545 CA ASN A 98 112.240 1.903 13.919 1.00 0.00 C ATOM 1546 C ASN A 98 112.164 3.252 13.198 1.00 0.00 C ATOM 1547 O ASN A 98 111.175 3.952 13.289 1.00 0.00 O ATOM 1548 CB ASN A 98 113.214 1.976 15.093 1.00 0.00 C ATOM 1549 CG ASN A 98 113.036 0.756 15.997 1.00 0.00 C ATOM 1550 OD1 ASN A 98 112.042 0.063 15.913 1.00 0.00 O ATOM 1551 ND2 ASN A 98 113.964 0.466 16.868 1.00 0.00 N ATOM 0 H ASN A 98 113.673 0.438 13.298 1.00 0.00 H new ATOM 0 HA ASN A 98 111.228 1.666 14.248 1.00 0.00 H new ATOM 0 HB2 ASN A 98 114.239 2.019 14.724 1.00 0.00 H new ATOM 0 HB3 ASN A 98 113.042 2.889 15.663 1.00 0.00 H new ATOM 0 HD21 ASN A 98 113.855 -0.343 17.479 1.00 0.00 H new ATOM 0 HD22 ASN A 98 114.798 1.049 16.938 1.00 0.00 H new ATOM 1558 N ALA A 99 113.188 3.628 12.484 1.00 0.00 N ATOM 1559 CA ALA A 99 113.151 4.934 11.766 1.00 0.00 C ATOM 1560 C ALA A 99 112.015 4.955 10.743 1.00 0.00 C ATOM 1561 O ALA A 99 111.225 5.882 10.695 1.00 0.00 O ATOM 1562 CB ALA A 99 114.503 5.026 11.060 1.00 0.00 C ATOM 0 H ALA A 99 114.047 3.090 12.366 1.00 0.00 H new ATOM 0 HA ALA A 99 112.977 5.770 12.443 1.00 0.00 H new ATOM 0 HB1 ALA A 99 114.561 5.962 10.505 1.00 0.00 H new ATOM 0 HB2 ALA A 99 115.303 4.993 11.800 1.00 0.00 H new ATOM 0 HB3 ALA A 99 114.612 4.188 10.371 1.00 0.00 H new ATOM 1568 N ILE A 100 111.908 3.937 9.936 1.00 0.00 N ATOM 1569 CA ILE A 100 110.808 3.898 8.932 1.00 0.00 C ATOM 1570 C ILE A 100 109.449 3.755 9.636 1.00 0.00 C ATOM 1571 O ILE A 100 108.485 4.393 9.278 1.00 0.00 O ATOM 1572 CB ILE A 100 111.125 2.685 8.049 1.00 0.00 C ATOM 1573 CG1 ILE A 100 112.390 2.986 7.234 1.00 0.00 C ATOM 1574 CG2 ILE A 100 109.960 2.415 7.095 1.00 0.00 C ATOM 1575 CD1 ILE A 100 112.914 1.699 6.594 1.00 0.00 C ATOM 0 H ILE A 100 112.533 3.131 9.928 1.00 0.00 H new ATOM 0 HA ILE A 100 110.743 4.811 8.340 1.00 0.00 H new ATOM 0 HB ILE A 100 111.281 1.807 8.676 1.00 0.00 H new ATOM 0 HG12 ILE A 100 112.169 3.723 6.462 1.00 0.00 H new ATOM 0 HG13 ILE A 100 113.154 3.419 7.879 1.00 0.00 H new ATOM 0 HG21 ILE A 100 110.193 1.552 6.471 1.00 0.00 H new ATOM 0 HG22 ILE A 100 109.057 2.213 7.671 1.00 0.00 H new ATOM 0 HG23 ILE A 100 109.799 3.287 6.462 1.00 0.00 H new ATOM 0 HD11 ILE A 100 113.812 1.919 6.017 1.00 0.00 H new ATOM 0 HD12 ILE A 100 113.152 0.976 7.374 1.00 0.00 H new ATOM 0 HD13 ILE A 100 112.152 1.284 5.935 1.00 0.00 H new ATOM 1587 N GLN A 101 109.364 2.917 10.632 1.00 0.00 N ATOM 1588 CA GLN A 101 108.064 2.730 11.347 1.00 0.00 C ATOM 1589 C GLN A 101 107.623 4.029 12.034 1.00 0.00 C ATOM 1590 O GLN A 101 106.463 4.390 12.014 1.00 0.00 O ATOM 1591 CB GLN A 101 108.348 1.650 12.396 1.00 0.00 C ATOM 1592 CG GLN A 101 107.089 1.385 13.227 1.00 0.00 C ATOM 1593 CD GLN A 101 107.373 0.285 14.250 1.00 0.00 C ATOM 1594 OE1 GLN A 101 108.390 0.303 14.916 1.00 0.00 O ATOM 1595 NE2 GLN A 101 106.512 -0.681 14.402 1.00 0.00 N ATOM 0 H GLN A 101 110.137 2.352 10.984 1.00 0.00 H new ATOM 0 HA GLN A 101 107.262 2.451 10.663 1.00 0.00 H new ATOM 0 HB2 GLN A 101 108.671 0.731 11.906 1.00 0.00 H new ATOM 0 HB3 GLN A 101 109.163 1.968 13.046 1.00 0.00 H new ATOM 0 HG2 GLN A 101 106.778 2.297 13.736 1.00 0.00 H new ATOM 0 HG3 GLN A 101 106.267 1.087 12.576 1.00 0.00 H new ATOM 0 HE21 GLN A 101 105.659 -0.696 13.843 1.00 0.00 H new ATOM 0 HE22 GLN A 101 106.691 -1.422 15.080 1.00 0.00 H new ATOM 1604 N LEU A 102 108.533 4.717 12.666 1.00 0.00 N ATOM 1605 CA LEU A 102 108.163 5.977 13.384 1.00 0.00 C ATOM 1606 C LEU A 102 107.636 7.053 12.427 1.00 0.00 C ATOM 1607 O LEU A 102 106.667 7.737 12.719 1.00 0.00 O ATOM 1608 CB LEU A 102 109.460 6.452 14.041 1.00 0.00 C ATOM 1609 CG LEU A 102 109.724 5.643 15.313 1.00 0.00 C ATOM 1610 CD1 LEU A 102 111.091 6.029 15.887 1.00 0.00 C ATOM 1611 CD2 LEU A 102 108.631 5.942 16.344 1.00 0.00 C ATOM 0 H LEU A 102 109.520 4.464 12.718 1.00 0.00 H new ATOM 0 HA LEU A 102 107.363 5.796 14.102 1.00 0.00 H new ATOM 0 HB2 LEU A 102 110.293 6.338 13.347 1.00 0.00 H new ATOM 0 HB3 LEU A 102 109.389 7.513 14.282 1.00 0.00 H new ATOM 0 HG LEU A 102 109.717 4.579 15.077 1.00 0.00 H new ATOM 0 HD11 LEU A 102 111.281 5.454 16.793 1.00 0.00 H new ATOM 0 HD12 LEU A 102 111.867 5.816 15.152 1.00 0.00 H new ATOM 0 HD13 LEU A 102 111.099 7.093 16.124 1.00 0.00 H new ATOM 0 HD21 LEU A 102 108.818 5.366 17.250 1.00 0.00 H new ATOM 0 HD22 LEU A 102 108.637 7.006 16.582 1.00 0.00 H new ATOM 0 HD23 LEU A 102 107.659 5.667 15.934 1.00 0.00 H new ATOM 1623 N GLN A 103 108.251 7.204 11.283 1.00 0.00 N ATOM 1624 CA GLN A 103 107.752 8.242 10.334 1.00 0.00 C ATOM 1625 C GLN A 103 106.489 7.729 9.645 1.00 0.00 C ATOM 1626 O GLN A 103 105.550 8.464 9.417 1.00 0.00 O ATOM 1627 CB GLN A 103 108.884 8.513 9.347 1.00 0.00 C ATOM 1628 CG GLN A 103 110.029 9.219 10.075 1.00 0.00 C ATOM 1629 CD GLN A 103 109.540 10.562 10.621 1.00 0.00 C ATOM 1630 OE1 GLN A 103 108.781 11.256 9.974 1.00 0.00 O ATOM 1631 NE2 GLN A 103 109.952 10.962 11.793 1.00 0.00 N ATOM 0 H GLN A 103 109.059 6.667 10.970 1.00 0.00 H new ATOM 0 HA GLN A 103 107.481 9.171 10.836 1.00 0.00 H new ATOM 0 HB2 GLN A 103 109.236 7.577 8.913 1.00 0.00 H new ATOM 0 HB3 GLN A 103 108.525 9.131 8.524 1.00 0.00 H new ATOM 0 HG2 GLN A 103 110.394 8.595 10.890 1.00 0.00 H new ATOM 0 HG3 GLN A 103 110.865 9.375 9.394 1.00 0.00 H new ATOM 0 HE21 GLN A 103 110.589 10.379 12.336 1.00 0.00 H new ATOM 0 HE22 GLN A 103 109.637 11.857 12.166 1.00 0.00 H new ATOM 1640 N PHE A 104 106.450 6.460 9.342 1.00 0.00 N ATOM 1641 CA PHE A 104 105.230 5.894 8.707 1.00 0.00 C ATOM 1642 C PHE A 104 104.054 6.083 9.666 1.00 0.00 C ATOM 1643 O PHE A 104 102.978 6.446 9.274 1.00 0.00 O ATOM 1644 CB PHE A 104 105.530 4.407 8.496 1.00 0.00 C ATOM 1645 CG PHE A 104 106.053 4.186 7.093 1.00 0.00 C ATOM 1646 CD1 PHE A 104 107.290 4.720 6.706 1.00 0.00 C ATOM 1647 CD2 PHE A 104 105.298 3.441 6.177 1.00 0.00 C ATOM 1648 CE1 PHE A 104 107.770 4.507 5.408 1.00 0.00 C ATOM 1649 CE2 PHE A 104 105.779 3.229 4.879 1.00 0.00 C ATOM 1650 CZ PHE A 104 107.015 3.763 4.494 1.00 0.00 C ATOM 0 H PHE A 104 107.206 5.795 9.506 1.00 0.00 H new ATOM 0 HA PHE A 104 104.975 6.375 7.763 1.00 0.00 H new ATOM 0 HB2 PHE A 104 106.265 4.067 9.226 1.00 0.00 H new ATOM 0 HB3 PHE A 104 104.627 3.818 8.655 1.00 0.00 H new ATOM 0 HD1 PHE A 104 107.873 5.296 7.409 1.00 0.00 H new ATOM 0 HD2 PHE A 104 104.344 3.030 6.473 1.00 0.00 H new ATOM 0 HE1 PHE A 104 108.724 4.917 5.112 1.00 0.00 H new ATOM 0 HE2 PHE A 104 105.197 2.654 4.175 1.00 0.00 H new ATOM 0 HZ PHE A 104 107.385 3.601 3.493 1.00 0.00 H new ATOM 1660 N LYS A 105 104.262 5.861 10.936 1.00 0.00 N ATOM 1661 CA LYS A 105 103.150 6.050 11.913 1.00 0.00 C ATOM 1662 C LYS A 105 102.678 7.503 11.923 1.00 0.00 C ATOM 1663 O LYS A 105 101.509 7.774 12.107 1.00 0.00 O ATOM 1664 CB LYS A 105 103.710 5.676 13.281 1.00 0.00 C ATOM 1665 CG LYS A 105 103.780 4.158 13.416 1.00 0.00 C ATOM 1666 CD LYS A 105 104.328 3.812 14.799 1.00 0.00 C ATOM 1667 CE LYS A 105 104.298 2.298 15.003 1.00 0.00 C ATOM 1668 NZ LYS A 105 104.819 2.097 16.383 1.00 0.00 N1+ ATOM 0 H LYS A 105 105.149 5.558 11.338 1.00 0.00 H new ATOM 0 HA LYS A 105 102.292 5.432 11.647 1.00 0.00 H new ATOM 0 HB2 LYS A 105 104.703 6.107 13.407 1.00 0.00 H new ATOM 0 HB3 LYS A 105 103.080 6.091 14.068 1.00 0.00 H new ATOM 0 HG2 LYS A 105 102.790 3.721 13.282 1.00 0.00 H new ATOM 0 HG3 LYS A 105 104.421 3.739 12.640 1.00 0.00 H new ATOM 0 HD2 LYS A 105 105.349 4.182 14.899 1.00 0.00 H new ATOM 0 HD3 LYS A 105 103.734 4.304 15.569 1.00 0.00 H new ATOM 0 HE2 LYS A 105 103.287 1.904 14.899 1.00 0.00 H new ATOM 0 HE3 LYS A 105 104.917 1.786 14.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 104.832 1.081 16.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 105.785 2.478 16.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 104.205 2.592 17.061 1.00 0.00 H new ATOM 1682 N GLN A 106 103.560 8.449 11.711 1.00 0.00 N ATOM 1683 CA GLN A 106 103.121 9.873 11.695 1.00 0.00 C ATOM 1684 C GLN A 106 102.460 10.202 10.353 1.00 0.00 C ATOM 1685 O GLN A 106 101.729 11.166 10.234 1.00 0.00 O ATOM 1686 CB GLN A 106 104.409 10.678 11.867 1.00 0.00 C ATOM 1687 CG GLN A 106 104.952 10.477 13.283 1.00 0.00 C ATOM 1688 CD GLN A 106 106.289 11.206 13.429 1.00 0.00 C ATOM 1689 OE1 GLN A 106 106.755 11.835 12.500 1.00 0.00 O ATOM 1690 NE2 GLN A 106 106.926 11.152 14.567 1.00 0.00 N ATOM 0 H GLN A 106 104.556 8.296 11.550 1.00 0.00 H new ATOM 0 HA GLN A 106 102.391 10.094 12.474 1.00 0.00 H new ATOM 0 HB2 GLN A 106 105.150 10.360 11.134 1.00 0.00 H new ATOM 0 HB3 GLN A 106 104.216 11.736 11.687 1.00 0.00 H new ATOM 0 HG2 GLN A 106 104.238 10.856 14.014 1.00 0.00 H new ATOM 0 HG3 GLN A 106 105.082 9.414 13.486 1.00 0.00 H new ATOM 0 HE21 GLN A 106 106.534 10.624 15.346 1.00 0.00 H new ATOM 0 HE22 GLN A 106 107.816 11.638 14.677 1.00 0.00 H new ATOM 1699 N GLY A 107 102.694 9.407 9.343 1.00 0.00 N ATOM 1700 CA GLY A 107 102.058 9.682 8.024 1.00 0.00 C ATOM 1701 C GLY A 107 103.071 10.267 7.032 1.00 0.00 C ATOM 1702 O GLY A 107 102.718 10.625 5.925 1.00 0.00 O ATOM 0 H GLY A 107 103.295 8.583 9.375 1.00 0.00 H new ATOM 0 HA2 GLY A 107 101.640 8.760 7.620 1.00 0.00 H new ATOM 0 HA3 GLY A 107 101.229 10.378 8.155 1.00 0.00 H new ATOM 1706 N ASN A 108 104.324 10.364 7.396 1.00 0.00 N ATOM 1707 CA ASN A 108 105.327 10.921 6.438 1.00 0.00 C ATOM 1708 C ASN A 108 106.170 9.798 5.831 1.00 0.00 C ATOM 1709 O ASN A 108 107.198 9.411 6.352 1.00 0.00 O ATOM 1710 CB ASN A 108 106.199 11.869 7.259 1.00 0.00 C ATOM 1711 CG ASN A 108 105.327 12.964 7.875 1.00 0.00 C ATOM 1712 OD1 ASN A 108 105.530 13.350 9.009 1.00 0.00 O ATOM 1713 ND2 ASN A 108 104.358 13.488 7.171 1.00 0.00 N ATOM 0 H ASN A 108 104.694 10.085 8.305 1.00 0.00 H new ATOM 0 HA ASN A 108 104.848 11.438 5.607 1.00 0.00 H new ATOM 0 HB2 ASN A 108 106.715 11.316 8.044 1.00 0.00 H new ATOM 0 HB3 ASN A 108 106.966 12.314 6.625 1.00 0.00 H new ATOM 0 HD21 ASN A 108 103.773 14.220 7.574 1.00 0.00 H new ATOM 0 HD22 ASN A 108 104.187 13.165 6.219 1.00 0.00 H new ATOM 1720 N PHE A 109 105.729 9.281 4.721 1.00 0.00 N ATOM 1721 CA PHE A 109 106.467 8.180 4.036 1.00 0.00 C ATOM 1722 C PHE A 109 107.863 8.622 3.593 1.00 0.00 C ATOM 1723 O PHE A 109 108.824 7.897 3.751 1.00 0.00 O ATOM 1724 CB PHE A 109 105.612 7.867 2.795 1.00 0.00 C ATOM 1725 CG PHE A 109 104.216 7.364 3.176 1.00 0.00 C ATOM 1726 CD1 PHE A 109 103.950 6.844 4.458 1.00 0.00 C ATOM 1727 CD2 PHE A 109 103.187 7.424 2.226 1.00 0.00 C ATOM 1728 CE1 PHE A 109 102.670 6.392 4.782 1.00 0.00 C ATOM 1729 CE2 PHE A 109 101.905 6.970 2.556 1.00 0.00 C ATOM 1730 CZ PHE A 109 101.648 6.455 3.832 1.00 0.00 C ATOM 0 H PHE A 109 104.875 9.578 4.250 1.00 0.00 H new ATOM 0 HA PHE A 109 106.610 7.325 4.697 1.00 0.00 H new ATOM 0 HB2 PHE A 109 105.520 8.763 2.182 1.00 0.00 H new ATOM 0 HB3 PHE A 109 106.116 7.115 2.187 1.00 0.00 H new ATOM 0 HD1 PHE A 109 104.740 6.795 5.193 1.00 0.00 H new ATOM 0 HD2 PHE A 109 103.383 7.820 1.241 1.00 0.00 H new ATOM 0 HE1 PHE A 109 102.470 5.994 5.766 1.00 0.00 H new ATOM 0 HE2 PHE A 109 101.112 7.017 1.824 1.00 0.00 H new ATOM 0 HZ PHE A 109 100.657 6.106 4.082 1.00 0.00 H new ATOM 1740 N LYS A 110 107.979 9.780 3.009 1.00 0.00 N ATOM 1741 CA LYS A 110 109.316 10.225 2.520 1.00 0.00 C ATOM 1742 C LYS A 110 110.332 10.389 3.655 1.00 0.00 C ATOM 1743 O LYS A 110 111.453 9.925 3.548 1.00 0.00 O ATOM 1744 CB LYS A 110 109.064 11.578 1.849 1.00 0.00 C ATOM 1745 CG LYS A 110 110.394 12.173 1.374 1.00 0.00 C ATOM 1746 CD LYS A 110 110.148 13.569 0.820 1.00 0.00 C ATOM 1747 CE LYS A 110 111.472 14.202 0.397 1.00 0.00 C ATOM 1748 NZ LYS A 110 111.179 15.662 0.268 1.00 0.00 N1+ ATOM 0 H LYS A 110 107.214 10.435 2.849 1.00 0.00 H new ATOM 0 HA LYS A 110 109.742 9.483 1.845 1.00 0.00 H new ATOM 0 HB2 LYS A 110 108.387 11.455 1.004 1.00 0.00 H new ATOM 0 HB3 LYS A 110 108.580 12.258 2.550 1.00 0.00 H new ATOM 0 HG2 LYS A 110 111.103 12.217 2.201 1.00 0.00 H new ATOM 0 HG3 LYS A 110 110.837 11.537 0.607 1.00 0.00 H new ATOM 0 HD2 LYS A 110 109.471 13.517 -0.033 1.00 0.00 H new ATOM 0 HD3 LYS A 110 109.663 14.189 1.574 1.00 0.00 H new ATOM 0 HE2 LYS A 110 112.251 14.020 1.137 1.00 0.00 H new ATOM 0 HE3 LYS A 110 111.825 13.785 -0.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 111.698 16.050 -0.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 110.158 15.800 0.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 111.477 16.154 1.135 1.00 0.00 H new ATOM 1762 N GLN A 111 109.983 11.078 4.709 1.00 0.00 N ATOM 1763 CA GLN A 111 110.983 11.285 5.788 1.00 0.00 C ATOM 1764 C GLN A 111 111.382 9.935 6.381 1.00 0.00 C ATOM 1765 O GLN A 111 112.525 9.717 6.730 1.00 0.00 O ATOM 1766 CB GLN A 111 110.313 12.192 6.824 1.00 0.00 C ATOM 1767 CG GLN A 111 110.055 13.572 6.210 1.00 0.00 C ATOM 1768 CD GLN A 111 109.453 14.500 7.268 1.00 0.00 C ATOM 1769 OE1 GLN A 111 109.344 14.133 8.421 1.00 0.00 O ATOM 1770 NE2 GLN A 111 109.057 15.697 6.925 1.00 0.00 N ATOM 0 H GLN A 111 109.067 11.498 4.866 1.00 0.00 H new ATOM 0 HA GLN A 111 111.899 11.750 5.423 1.00 0.00 H new ATOM 0 HB2 GLN A 111 109.374 11.749 7.156 1.00 0.00 H new ATOM 0 HB3 GLN A 111 110.949 12.288 7.704 1.00 0.00 H new ATOM 0 HG2 GLN A 111 110.986 13.992 5.831 1.00 0.00 H new ATOM 0 HG3 GLN A 111 109.377 13.483 5.362 1.00 0.00 H new ATOM 0 HE21 GLN A 111 109.148 16.006 5.957 1.00 0.00 H new ATOM 0 HE22 GLN A 111 108.657 16.322 7.625 1.00 0.00 H new ATOM 1779 N GLY A 112 110.459 9.019 6.491 1.00 0.00 N ATOM 1780 CA GLY A 112 110.813 7.688 7.057 1.00 0.00 C ATOM 1781 C GLY A 112 111.791 6.960 6.126 1.00 0.00 C ATOM 1782 O GLY A 112 112.791 6.424 6.565 1.00 0.00 O ATOM 0 H GLY A 112 109.483 9.133 6.216 1.00 0.00 H new ATOM 0 HA2 GLY A 112 111.261 7.811 8.043 1.00 0.00 H new ATOM 0 HA3 GLY A 112 109.912 7.090 7.189 1.00 0.00 H new ATOM 1786 N LEU A 113 111.512 6.923 4.850 1.00 0.00 N ATOM 1787 CA LEU A 113 112.430 6.212 3.908 1.00 0.00 C ATOM 1788 C LEU A 113 113.803 6.884 3.878 1.00 0.00 C ATOM 1789 O LEU A 113 114.823 6.229 3.906 1.00 0.00 O ATOM 1790 CB LEU A 113 111.757 6.320 2.538 1.00 0.00 C ATOM 1791 CG LEU A 113 110.483 5.475 2.522 1.00 0.00 C ATOM 1792 CD1 LEU A 113 109.729 5.709 1.209 1.00 0.00 C ATOM 1793 CD2 LEU A 113 110.858 3.996 2.642 1.00 0.00 C ATOM 0 H LEU A 113 110.693 7.352 4.419 1.00 0.00 H new ATOM 0 HA LEU A 113 112.594 5.177 4.207 1.00 0.00 H new ATOM 0 HB2 LEU A 113 111.517 7.361 2.321 1.00 0.00 H new ATOM 0 HB3 LEU A 113 112.440 5.981 1.759 1.00 0.00 H new ATOM 0 HG LEU A 113 109.845 5.759 3.359 1.00 0.00 H new ATOM 0 HD11 LEU A 113 108.821 5.106 1.198 1.00 0.00 H new ATOM 0 HD12 LEU A 113 109.466 6.763 1.124 1.00 0.00 H new ATOM 0 HD13 LEU A 113 110.363 5.424 0.369 1.00 0.00 H new ATOM 0 HD21 LEU A 113 109.953 3.389 2.631 1.00 0.00 H new ATOM 0 HD22 LEU A 113 111.495 3.713 1.804 1.00 0.00 H new ATOM 0 HD23 LEU A 113 111.394 3.831 3.577 1.00 0.00 H new ATOM 1805 N VAL A 114 113.840 8.183 3.820 1.00 0.00 N ATOM 1806 CA VAL A 114 115.154 8.880 3.784 1.00 0.00 C ATOM 1807 C VAL A 114 115.891 8.679 5.110 1.00 0.00 C ATOM 1808 O VAL A 114 117.065 8.366 5.135 1.00 0.00 O ATOM 1809 CB VAL A 114 114.808 10.350 3.559 1.00 0.00 C ATOM 1810 CG1 VAL A 114 116.084 11.193 3.568 1.00 0.00 C ATOM 1811 CG2 VAL A 114 114.105 10.500 2.210 1.00 0.00 C ATOM 0 H VAL A 114 113.022 8.791 3.796 1.00 0.00 H new ATOM 0 HA VAL A 114 115.813 8.499 3.004 1.00 0.00 H new ATOM 0 HB VAL A 114 114.150 10.693 4.357 1.00 0.00 H new ATOM 0 HG11 VAL A 114 115.829 12.240 3.407 1.00 0.00 H new ATOM 0 HG12 VAL A 114 116.585 11.085 4.530 1.00 0.00 H new ATOM 0 HG13 VAL A 114 116.749 10.855 2.773 1.00 0.00 H new ATOM 0 HG21 VAL A 114 113.856 11.548 2.044 1.00 0.00 H new ATOM 0 HG22 VAL A 114 114.766 10.154 1.415 1.00 0.00 H new ATOM 0 HG23 VAL A 114 113.192 9.905 2.207 1.00 0.00 H new ATOM 1821 N ASP A 115 115.212 8.850 6.212 1.00 0.00 N ATOM 1822 CA ASP A 115 115.884 8.661 7.530 1.00 0.00 C ATOM 1823 C ASP A 115 116.298 7.198 7.702 1.00 0.00 C ATOM 1824 O ASP A 115 117.384 6.907 8.166 1.00 0.00 O ATOM 1825 CB ASP A 115 114.848 9.078 8.577 1.00 0.00 C ATOM 1826 CG ASP A 115 115.408 8.876 9.991 1.00 0.00 C ATOM 1827 OD1 ASP A 115 116.492 8.328 10.114 1.00 0.00 O ATOM 1828 OD2 ASP A 115 114.740 9.275 10.929 1.00 0.00 O1- ATOM 0 H ASP A 115 114.227 9.111 6.257 1.00 0.00 H new ATOM 0 HA ASP A 115 116.795 9.253 7.623 1.00 0.00 H new ATOM 0 HB2 ASP A 115 114.576 10.123 8.432 1.00 0.00 H new ATOM 0 HB3 ASP A 115 113.938 8.491 8.452 1.00 0.00 H new ATOM 1833 N GLY A 116 115.454 6.273 7.337 1.00 0.00 N ATOM 1834 CA GLY A 116 115.827 4.841 7.488 1.00 0.00 C ATOM 1835 C GLY A 116 117.079 4.576 6.659 1.00 0.00 C ATOM 1836 O GLY A 116 117.990 3.896 7.088 1.00 0.00 O ATOM 0 H GLY A 116 114.529 6.446 6.944 1.00 0.00 H new ATOM 0 HA2 GLY A 116 116.010 4.606 8.536 1.00 0.00 H new ATOM 0 HA3 GLY A 116 115.010 4.200 7.156 1.00 0.00 H new ATOM 1840 N ILE A 117 117.138 5.117 5.473 1.00 0.00 N ATOM 1841 CA ILE A 117 118.339 4.904 4.622 1.00 0.00 C ATOM 1842 C ILE A 117 119.565 5.555 5.274 1.00 0.00 C ATOM 1843 O ILE A 117 120.631 4.976 5.308 1.00 0.00 O ATOM 1844 CB ILE A 117 118.006 5.564 3.282 1.00 0.00 C ATOM 1845 CG1 ILE A 117 116.882 4.774 2.611 1.00 0.00 C ATOM 1846 CG2 ILE A 117 119.245 5.542 2.376 1.00 0.00 C ATOM 1847 CD1 ILE A 117 116.296 5.591 1.457 1.00 0.00 C ATOM 0 H ILE A 117 116.407 5.696 5.059 1.00 0.00 H new ATOM 0 HA ILE A 117 118.578 3.848 4.493 1.00 0.00 H new ATOM 0 HB ILE A 117 117.696 6.596 3.447 1.00 0.00 H new ATOM 0 HG12 ILE A 117 117.264 3.823 2.239 1.00 0.00 H new ATOM 0 HG13 ILE A 117 116.103 4.542 3.338 1.00 0.00 H new ATOM 0 HG21 ILE A 117 119.007 6.012 1.422 1.00 0.00 H new ATOM 0 HG22 ILE A 117 120.057 6.088 2.857 1.00 0.00 H new ATOM 0 HG23 ILE A 117 119.552 4.510 2.205 1.00 0.00 H new ATOM 0 HD11 ILE A 117 115.495 5.025 0.981 1.00 0.00 H new ATOM 0 HD12 ILE A 117 115.898 6.530 1.841 1.00 0.00 H new ATOM 0 HD13 ILE A 117 117.077 5.800 0.726 1.00 0.00 H new ATOM 1859 N GLU A 118 119.433 6.754 5.784 1.00 0.00 N ATOM 1860 CA GLU A 118 120.613 7.414 6.416 1.00 0.00 C ATOM 1861 C GLU A 118 121.162 6.529 7.532 1.00 0.00 C ATOM 1862 O GLU A 118 122.336 6.217 7.567 1.00 0.00 O ATOM 1863 CB GLU A 118 120.093 8.736 6.980 1.00 0.00 C ATOM 1864 CG GLU A 118 121.256 9.516 7.600 1.00 0.00 C ATOM 1865 CD GLU A 118 120.772 10.898 8.052 1.00 0.00 C ATOM 1866 OE1 GLU A 118 119.569 11.097 8.114 1.00 0.00 O ATOM 1867 OE2 GLU A 118 121.615 11.738 8.322 1.00 0.00 O1- ATOM 0 H GLU A 118 118.570 7.298 5.790 1.00 0.00 H new ATOM 0 HA GLU A 118 121.423 7.579 5.705 1.00 0.00 H new ATOM 0 HB2 GLU A 118 119.627 9.324 6.189 1.00 0.00 H new ATOM 0 HB3 GLU A 118 119.326 8.547 7.731 1.00 0.00 H new ATOM 0 HG2 GLU A 118 121.662 8.967 8.450 1.00 0.00 H new ATOM 0 HG3 GLU A 118 122.062 9.622 6.874 1.00 0.00 H new ATOM 1874 N LYS A 119 120.324 6.103 8.436 1.00 0.00 N ATOM 1875 CA LYS A 119 120.814 5.222 9.529 1.00 0.00 C ATOM 1876 C LYS A 119 121.340 3.920 8.927 1.00 0.00 C ATOM 1877 O LYS A 119 122.382 3.427 9.309 1.00 0.00 O ATOM 1878 CB LYS A 119 119.603 4.974 10.430 1.00 0.00 C ATOM 1879 CG LYS A 119 119.260 6.269 11.173 1.00 0.00 C ATOM 1880 CD LYS A 119 118.045 6.049 12.077 1.00 0.00 C ATOM 1881 CE LYS A 119 117.752 7.342 12.839 1.00 0.00 C ATOM 1882 NZ LYS A 119 116.572 7.030 13.690 1.00 0.00 N1+ ATOM 0 H LYS A 119 119.329 6.325 8.465 1.00 0.00 H new ATOM 0 HA LYS A 119 121.631 5.666 10.097 1.00 0.00 H new ATOM 0 HB2 LYS A 119 118.752 4.645 9.834 1.00 0.00 H new ATOM 0 HB3 LYS A 119 119.820 4.178 11.142 1.00 0.00 H new ATOM 0 HG2 LYS A 119 120.113 6.592 11.769 1.00 0.00 H new ATOM 0 HG3 LYS A 119 119.052 7.064 10.457 1.00 0.00 H new ATOM 0 HD2 LYS A 119 117.180 5.759 11.481 1.00 0.00 H new ATOM 0 HD3 LYS A 119 118.238 5.235 12.776 1.00 0.00 H new ATOM 0 HE2 LYS A 119 118.606 7.645 13.445 1.00 0.00 H new ATOM 0 HE3 LYS A 119 117.539 8.163 12.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 116.311 7.871 14.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 115.772 6.751 13.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 116.806 6.249 14.336 1.00 0.00 H new ATOM 1896 N ALA A 120 120.653 3.377 7.963 1.00 0.00 N ATOM 1897 CA ALA A 120 121.146 2.133 7.316 1.00 0.00 C ATOM 1898 C ALA A 120 122.539 2.381 6.732 1.00 0.00 C ATOM 1899 O ALA A 120 123.413 1.544 6.803 1.00 0.00 O ATOM 1900 CB ALA A 120 120.151 1.843 6.193 1.00 0.00 C ATOM 0 H ALA A 120 119.773 3.740 7.596 1.00 0.00 H new ATOM 0 HA ALA A 120 121.221 1.301 8.016 1.00 0.00 H new ATOM 0 HB1 ALA A 120 120.450 0.936 5.668 1.00 0.00 H new ATOM 0 HB2 ALA A 120 119.155 1.707 6.615 1.00 0.00 H new ATOM 0 HB3 ALA A 120 120.137 2.679 5.494 1.00 0.00 H new ATOM 1906 N GLY A 121 122.741 3.528 6.140 1.00 0.00 N ATOM 1907 CA GLY A 121 124.064 3.838 5.529 1.00 0.00 C ATOM 1908 C GLY A 121 125.146 3.931 6.605 1.00 0.00 C ATOM 1909 O GLY A 121 126.217 3.375 6.460 1.00 0.00 O ATOM 0 H GLY A 121 122.042 4.266 6.054 1.00 0.00 H new ATOM 0 HA2 GLY A 121 124.327 3.065 4.807 1.00 0.00 H new ATOM 0 HA3 GLY A 121 124.006 4.779 4.982 1.00 0.00 H new ATOM 1913 N MET A 122 124.884 4.617 7.686 1.00 0.00 N ATOM 1914 CA MET A 122 125.918 4.713 8.757 1.00 0.00 C ATOM 1915 C MET A 122 126.132 3.334 9.382 1.00 0.00 C ATOM 1916 O MET A 122 127.249 2.905 9.608 1.00 0.00 O ATOM 1917 CB MET A 122 125.349 5.687 9.789 1.00 0.00 C ATOM 1918 CG MET A 122 125.255 7.086 9.177 1.00 0.00 C ATOM 1919 SD MET A 122 124.528 8.222 10.386 1.00 0.00 S ATOM 1920 CE MET A 122 124.266 9.616 9.262 1.00 0.00 C ATOM 0 H MET A 122 124.010 5.109 7.873 1.00 0.00 H new ATOM 0 HA MET A 122 126.880 5.055 8.377 1.00 0.00 H new ATOM 0 HB2 MET A 122 124.363 5.354 10.113 1.00 0.00 H new ATOM 0 HB3 MET A 122 125.985 5.708 10.674 1.00 0.00 H new ATOM 0 HG2 MET A 122 126.245 7.434 8.884 1.00 0.00 H new ATOM 0 HG3 MET A 122 124.646 7.060 8.274 1.00 0.00 H new ATOM 0 HE1 MET A 122 123.446 10.232 9.632 1.00 0.00 H new ATOM 0 HE2 MET A 122 125.175 10.215 9.208 1.00 0.00 H new ATOM 0 HE3 MET A 122 124.019 9.241 8.269 1.00 0.00 H new ATOM 1930 N ALA A 123 125.064 2.627 9.644 1.00 0.00 N ATOM 1931 CA ALA A 123 125.211 1.271 10.238 1.00 0.00 C ATOM 1932 C ALA A 123 125.949 0.367 9.255 1.00 0.00 C ATOM 1933 O ALA A 123 126.882 -0.327 9.609 1.00 0.00 O ATOM 1934 CB ALA A 123 123.786 0.767 10.476 1.00 0.00 C ATOM 0 H ALA A 123 124.105 2.929 9.473 1.00 0.00 H new ATOM 0 HA ALA A 123 125.782 1.282 11.166 1.00 0.00 H new ATOM 0 HB1 ALA A 123 123.821 -0.231 10.914 1.00 0.00 H new ATOM 0 HB2 ALA A 123 123.270 1.444 11.157 1.00 0.00 H new ATOM 0 HB3 ALA A 123 123.251 0.728 9.527 1.00 0.00 H new ATOM 1940 N LEU A 124 125.551 0.391 8.012 1.00 0.00 N ATOM 1941 CA LEU A 124 126.240 -0.441 6.991 1.00 0.00 C ATOM 1942 C LEU A 124 127.695 0.009 6.864 1.00 0.00 C ATOM 1943 O LEU A 124 128.596 -0.796 6.736 1.00 0.00 O ATOM 1944 CB LEU A 124 125.481 -0.181 5.689 1.00 0.00 C ATOM 1945 CG LEU A 124 124.113 -0.856 5.753 1.00 0.00 C ATOM 1946 CD1 LEU A 124 123.240 -0.347 4.603 1.00 0.00 C ATOM 1947 CD2 LEU A 124 124.297 -2.369 5.627 1.00 0.00 C ATOM 0 H LEU A 124 124.776 0.953 7.661 1.00 0.00 H new ATOM 0 HA LEU A 124 126.248 -1.500 7.247 1.00 0.00 H new ATOM 0 HB2 LEU A 124 125.362 0.891 5.533 1.00 0.00 H new ATOM 0 HB3 LEU A 124 126.049 -0.566 4.842 1.00 0.00 H new ATOM 0 HG LEU A 124 123.630 -0.623 6.702 1.00 0.00 H new ATOM 0 HD11 LEU A 124 122.263 -0.828 4.647 1.00 0.00 H new ATOM 0 HD12 LEU A 124 123.117 0.733 4.690 1.00 0.00 H new ATOM 0 HD13 LEU A 124 123.717 -0.583 3.652 1.00 0.00 H new ATOM 0 HD21 LEU A 124 123.324 -2.859 5.672 1.00 0.00 H new ATOM 0 HD22 LEU A 124 124.776 -2.599 4.675 1.00 0.00 H new ATOM 0 HD23 LEU A 124 124.922 -2.729 6.444 1.00 0.00 H new ATOM 1959 N ALA A 125 127.929 1.295 6.875 1.00 0.00 N ATOM 1960 CA ALA A 125 129.323 1.798 6.729 1.00 0.00 C ATOM 1961 C ALA A 125 130.236 1.171 7.782 1.00 0.00 C ATOM 1962 O ALA A 125 131.395 0.909 7.525 1.00 0.00 O ATOM 1963 CB ALA A 125 129.228 3.311 6.919 1.00 0.00 C ATOM 0 H ALA A 125 127.215 2.016 6.979 1.00 0.00 H new ATOM 0 HA ALA A 125 129.749 1.540 5.760 1.00 0.00 H new ATOM 0 HB1 ALA A 125 130.220 3.753 6.825 1.00 0.00 H new ATOM 0 HB2 ALA A 125 128.570 3.732 6.159 1.00 0.00 H new ATOM 0 HB3 ALA A 125 128.826 3.529 7.909 1.00 0.00 H new ATOM 1969 N LYS A 126 129.733 0.911 8.962 1.00 0.00 N ATOM 1970 CA LYS A 126 130.601 0.284 10.000 1.00 0.00 C ATOM 1971 C LYS A 126 131.060 -1.085 9.502 1.00 0.00 C ATOM 1972 O LYS A 126 132.205 -1.466 9.646 1.00 0.00 O ATOM 1973 CB LYS A 126 129.713 0.137 11.234 1.00 0.00 C ATOM 1974 CG LYS A 126 129.366 1.520 11.788 1.00 0.00 C ATOM 1975 CD LYS A 126 128.501 1.357 13.040 1.00 0.00 C ATOM 1976 CE LYS A 126 128.147 2.733 13.609 1.00 0.00 C ATOM 1977 NZ LYS A 126 127.317 2.445 14.813 1.00 0.00 N1+ ATOM 0 H LYS A 126 128.773 1.103 9.248 1.00 0.00 H new ATOM 0 HA LYS A 126 131.491 0.874 10.221 1.00 0.00 H new ATOM 0 HB2 LYS A 126 128.801 -0.401 10.975 1.00 0.00 H new ATOM 0 HB3 LYS A 126 130.226 -0.452 11.995 1.00 0.00 H new ATOM 0 HG2 LYS A 126 130.277 2.067 12.029 1.00 0.00 H new ATOM 0 HG3 LYS A 126 128.833 2.103 11.037 1.00 0.00 H new ATOM 0 HD2 LYS A 126 127.591 0.809 12.795 1.00 0.00 H new ATOM 0 HD3 LYS A 126 129.035 0.770 13.788 1.00 0.00 H new ATOM 0 HE2 LYS A 126 129.043 3.295 13.872 1.00 0.00 H new ATOM 0 HE3 LYS A 126 127.597 3.332 12.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 127.033 3.340 15.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 126.468 1.915 14.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 127.870 1.879 15.488 1.00 0.00 H new ATOM 1991 N TYR A 127 130.168 -1.816 8.893 1.00 0.00 N ATOM 1992 CA TYR A 127 130.534 -3.153 8.352 1.00 0.00 C ATOM 1993 C TYR A 127 131.349 -2.987 7.071 1.00 0.00 C ATOM 1994 O TYR A 127 132.276 -3.727 6.808 1.00 0.00 O ATOM 1995 CB TYR A 127 129.203 -3.852 8.070 1.00 0.00 C ATOM 1996 CG TYR A 127 128.592 -4.288 9.378 1.00 0.00 C ATOM 1997 CD1 TYR A 127 127.851 -3.381 10.145 1.00 0.00 C ATOM 1998 CD2 TYR A 127 128.777 -5.600 9.829 1.00 0.00 C ATOM 1999 CE1 TYR A 127 127.294 -3.787 11.363 1.00 0.00 C ATOM 2000 CE2 TYR A 127 128.222 -6.005 11.047 1.00 0.00 C ATOM 2001 CZ TYR A 127 127.479 -5.098 11.815 1.00 0.00 C ATOM 2002 OH TYR A 127 126.929 -5.494 13.020 1.00 0.00 O ATOM 0 H TYR A 127 129.196 -1.542 8.747 1.00 0.00 H new ATOM 0 HA TYR A 127 131.146 -3.731 9.045 1.00 0.00 H new ATOM 0 HB2 TYR A 127 128.527 -3.177 7.545 1.00 0.00 H new ATOM 0 HB3 TYR A 127 129.360 -4.714 7.422 1.00 0.00 H new ATOM 0 HD1 TYR A 127 127.709 -2.369 9.797 1.00 0.00 H new ATOM 0 HD2 TYR A 127 129.348 -6.299 9.237 1.00 0.00 H new ATOM 0 HE1 TYR A 127 126.721 -3.088 11.954 1.00 0.00 H new ATOM 0 HE2 TYR A 127 128.366 -7.017 11.396 1.00 0.00 H new ATOM 0 HH TYR A 127 127.149 -6.434 13.187 1.00 0.00 H new ATOM 2012 N PHE A 128 131.004 -2.013 6.270 1.00 0.00 N ATOM 2013 CA PHE A 128 131.746 -1.786 5.002 1.00 0.00 C ATOM 2014 C PHE A 128 132.095 -0.298 4.853 1.00 0.00 C ATOM 2015 O PHE A 128 131.271 0.489 4.437 1.00 0.00 O ATOM 2016 CB PHE A 128 130.782 -2.212 3.898 1.00 0.00 C ATOM 2017 CG PHE A 128 130.593 -3.709 3.925 1.00 0.00 C ATOM 2018 CD1 PHE A 128 131.545 -4.546 3.330 1.00 0.00 C ATOM 2019 CD2 PHE A 128 129.461 -4.261 4.538 1.00 0.00 C ATOM 2020 CE1 PHE A 128 131.364 -5.934 3.346 1.00 0.00 C ATOM 2021 CE2 PHE A 128 129.280 -5.649 4.554 1.00 0.00 C ATOM 2022 CZ PHE A 128 130.233 -6.487 3.960 1.00 0.00 C ATOM 0 H PHE A 128 130.236 -1.364 6.443 1.00 0.00 H new ATOM 0 HA PHE A 128 132.682 -2.343 4.968 1.00 0.00 H new ATOM 0 HB2 PHE A 128 129.822 -1.714 4.031 1.00 0.00 H new ATOM 0 HB3 PHE A 128 131.170 -1.904 2.927 1.00 0.00 H new ATOM 0 HD1 PHE A 128 132.419 -4.121 2.859 1.00 0.00 H new ATOM 0 HD2 PHE A 128 128.728 -3.616 4.998 1.00 0.00 H new ATOM 0 HE1 PHE A 128 132.097 -6.579 2.885 1.00 0.00 H new ATOM 0 HE2 PHE A 128 128.406 -6.074 5.024 1.00 0.00 H new ATOM 0 HZ PHE A 128 130.096 -7.558 3.976 1.00 0.00 H new ATOM 2032 N PRO A 129 133.321 0.044 5.186 1.00 0.00 N ATOM 2033 CA PRO A 129 133.774 1.452 5.063 1.00 0.00 C ATOM 2034 C PRO A 129 133.890 1.843 3.590 1.00 0.00 C ATOM 2035 O PRO A 129 134.139 1.017 2.732 1.00 0.00 O ATOM 2036 CB PRO A 129 135.141 1.448 5.745 1.00 0.00 C ATOM 2037 CG PRO A 129 135.616 0.037 5.639 1.00 0.00 C ATOM 2038 CD PRO A 129 134.388 -0.830 5.694 1.00 0.00 C ATOM 0 HA PRO A 129 133.087 2.170 5.511 1.00 0.00 H new ATOM 0 HB2 PRO A 129 135.830 2.135 5.254 1.00 0.00 H new ATOM 0 HB3 PRO A 129 135.065 1.763 6.786 1.00 0.00 H new ATOM 0 HG2 PRO A 129 136.161 -0.120 4.708 1.00 0.00 H new ATOM 0 HG3 PRO A 129 136.299 -0.205 6.453 1.00 0.00 H new ATOM 0 HD2 PRO A 129 134.501 -1.723 5.079 1.00 0.00 H new ATOM 0 HD3 PRO A 129 134.180 -1.166 6.710 1.00 0.00 H new ATOM 2046 N TRP A 130 133.701 3.098 3.290 1.00 0.00 N ATOM 2047 CA TRP A 130 133.789 3.543 1.873 1.00 0.00 C ATOM 2048 C TRP A 130 135.240 3.569 1.399 1.00 0.00 C ATOM 2049 O TRP A 130 136.083 4.220 1.985 1.00 0.00 O ATOM 2050 CB TRP A 130 133.224 4.961 1.842 1.00 0.00 C ATOM 2051 CG TRP A 130 133.094 5.371 0.410 1.00 0.00 C ATOM 2052 CD1 TRP A 130 132.173 4.886 -0.454 1.00 0.00 C ATOM 2053 CD2 TRP A 130 133.904 6.319 -0.345 1.00 0.00 C ATOM 2054 NE1 TRP A 130 132.371 5.472 -1.691 1.00 0.00 N ATOM 2055 CE2 TRP A 130 133.422 6.364 -1.674 1.00 0.00 C ATOM 2056 CE3 TRP A 130 134.998 7.135 -0.008 1.00 0.00 C ATOM 2057 CZ2 TRP A 130 134.005 7.189 -2.636 1.00 0.00 C ATOM 2058 CZ3 TRP A 130 135.589 7.966 -0.974 1.00 0.00 C ATOM 2059 CH2 TRP A 130 135.094 7.993 -2.285 1.00 0.00 C ATOM 0 H TRP A 130 133.490 3.833 3.965 1.00 0.00 H new ATOM 0 HA TRP A 130 133.241 2.864 1.220 1.00 0.00 H new ATOM 0 HB2 TRP A 130 132.254 4.997 2.339 1.00 0.00 H new ATOM 0 HB3 TRP A 130 133.882 5.646 2.377 1.00 0.00 H new ATOM 0 HD1 TRP A 130 131.409 4.161 -0.217 1.00 0.00 H new ATOM 0 HE1 TRP A 130 131.807 5.269 -2.516 1.00 0.00 H new ATOM 0 HE3 TRP A 130 135.386 7.123 1.000 1.00 0.00 H new ATOM 0 HZ2 TRP A 130 133.618 7.207 -3.644 1.00 0.00 H new ATOM 0 HZ3 TRP A 130 136.430 8.588 -0.705 1.00 0.00 H new ATOM 0 HH2 TRP A 130 135.553 8.634 -3.023 1.00 0.00 H new ATOM 2070 N LYS A 131 135.529 2.901 0.319 1.00 0.00 N ATOM 2071 CA LYS A 131 136.915 2.925 -0.218 1.00 0.00 C ATOM 2072 C LYS A 131 136.952 3.844 -1.435 1.00 0.00 C ATOM 2073 O LYS A 131 135.945 4.076 -2.075 1.00 0.00 O ATOM 2074 CB LYS A 131 137.237 1.489 -0.619 1.00 0.00 C ATOM 2075 CG LYS A 131 137.309 0.607 0.623 1.00 0.00 C ATOM 2076 CD LYS A 131 137.508 -0.842 0.188 1.00 0.00 C ATOM 2077 CE LYS A 131 138.857 -0.971 -0.520 1.00 0.00 C ATOM 2078 NZ LYS A 131 138.980 -2.417 -0.849 1.00 0.00 N1+ ATOM 0 H LYS A 131 134.865 2.340 -0.215 1.00 0.00 H new ATOM 0 HA LYS A 131 137.639 3.294 0.509 1.00 0.00 H new ATOM 0 HB2 LYS A 131 136.473 1.112 -1.299 1.00 0.00 H new ATOM 0 HB3 LYS A 131 138.186 1.456 -1.155 1.00 0.00 H new ATOM 0 HG2 LYS A 131 138.131 0.925 1.264 1.00 0.00 H new ATOM 0 HG3 LYS A 131 136.394 0.703 1.207 1.00 0.00 H new ATOM 0 HD2 LYS A 131 137.473 -1.503 1.054 1.00 0.00 H new ATOM 0 HD3 LYS A 131 136.702 -1.148 -0.479 1.00 0.00 H new ATOM 0 HE2 LYS A 131 138.891 -0.357 -1.420 1.00 0.00 H new ATOM 0 HE3 LYS A 131 139.673 -0.641 0.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 139.882 -2.586 -1.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 138.951 -2.976 0.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 138.193 -2.701 -1.467 1.00 0.00 H new ATOM 2092 N LYS A 132 138.084 4.409 -1.732 1.00 0.00 N ATOM 2093 CA LYS A 132 138.151 5.357 -2.875 1.00 0.00 C ATOM 2094 C LYS A 132 137.795 4.659 -4.192 1.00 0.00 C ATOM 2095 O LYS A 132 137.282 5.278 -5.104 1.00 0.00 O ATOM 2096 CB LYS A 132 139.594 5.860 -2.894 1.00 0.00 C ATOM 2097 CG LYS A 132 139.896 6.631 -1.606 1.00 0.00 C ATOM 2098 CD LYS A 132 141.351 7.106 -1.627 1.00 0.00 C ATOM 2099 CE LYS A 132 141.659 7.873 -0.340 1.00 0.00 C ATOM 2100 NZ LYS A 132 143.088 8.275 -0.471 1.00 0.00 N1+ ATOM 0 H LYS A 132 138.962 4.257 -1.236 1.00 0.00 H new ATOM 0 HA LYS A 132 137.438 6.174 -2.765 1.00 0.00 H new ATOM 0 HB2 LYS A 132 140.280 5.019 -2.993 1.00 0.00 H new ATOM 0 HB3 LYS A 132 139.752 6.504 -3.759 1.00 0.00 H new ATOM 0 HG2 LYS A 132 139.225 7.485 -1.514 1.00 0.00 H new ATOM 0 HG3 LYS A 132 139.722 5.994 -0.739 1.00 0.00 H new ATOM 0 HD2 LYS A 132 142.022 6.252 -1.723 1.00 0.00 H new ATOM 0 HD3 LYS A 132 141.523 7.745 -2.493 1.00 0.00 H new ATOM 0 HE2 LYS A 132 141.011 8.743 -0.233 1.00 0.00 H new ATOM 0 HE3 LYS A 132 141.502 7.249 0.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 143.378 8.807 0.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 143.680 7.425 -0.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 143.205 8.873 -1.314 1.00 0.00 H new ATOM 2114 N ASP A 133 138.055 3.381 -4.308 1.00 0.00 N ATOM 2115 CA ASP A 133 137.714 2.688 -5.586 1.00 0.00 C ATOM 2116 C ASP A 133 136.325 2.037 -5.523 1.00 0.00 C ATOM 2117 O ASP A 133 135.943 1.298 -6.409 1.00 0.00 O ATOM 2118 CB ASP A 133 138.801 1.639 -5.795 1.00 0.00 C ATOM 2119 CG ASP A 133 140.143 2.334 -6.020 1.00 0.00 C ATOM 2120 OD1 ASP A 133 140.132 3.462 -6.487 1.00 0.00 O1- ATOM 2121 OD2 ASP A 133 141.158 1.726 -5.728 1.00 0.00 O ATOM 0 H ASP A 133 138.480 2.797 -3.588 1.00 0.00 H new ATOM 0 HA ASP A 133 137.674 3.395 -6.415 1.00 0.00 H new ATOM 0 HB2 ASP A 133 138.860 0.983 -4.926 1.00 0.00 H new ATOM 0 HB3 ASP A 133 138.556 1.012 -6.652 1.00 0.00 H new ATOM 2126 N ASP A 134 135.574 2.300 -4.472 1.00 0.00 N ATOM 2127 CA ASP A 134 134.206 1.705 -4.318 1.00 0.00 C ATOM 2128 C ASP A 134 133.426 1.735 -5.636 1.00 0.00 C ATOM 2129 O ASP A 134 133.474 2.686 -6.386 1.00 0.00 O ATOM 2130 CB ASP A 134 133.522 2.613 -3.302 1.00 0.00 C ATOM 2131 CG ASP A 134 132.219 1.964 -2.833 1.00 0.00 C ATOM 2132 OD1 ASP A 134 131.713 1.114 -3.548 1.00 0.00 O1- ATOM 2133 OD2 ASP A 134 131.751 2.324 -1.765 1.00 0.00 O ATOM 0 H ASP A 134 135.858 2.911 -3.706 1.00 0.00 H new ATOM 0 HA ASP A 134 134.253 0.660 -4.012 1.00 0.00 H new ATOM 0 HB2 ASP A 134 134.181 2.786 -2.451 1.00 0.00 H new ATOM 0 HB3 ASP A 134 133.316 3.586 -3.749 1.00 0.00 H new ATOM 2138 N ILE A 135 132.743 0.680 -5.926 1.00 0.00 N ATOM 2139 CA ILE A 135 131.977 0.593 -7.218 1.00 0.00 C ATOM 2140 C ILE A 135 130.462 0.601 -6.950 1.00 0.00 C ATOM 2141 O ILE A 135 129.996 -0.019 -6.013 1.00 0.00 O ATOM 2142 CB ILE A 135 132.420 -0.741 -7.916 1.00 0.00 C ATOM 2143 CG1 ILE A 135 131.649 -1.975 -7.356 1.00 0.00 C ATOM 2144 CG2 ILE A 135 133.928 -0.965 -7.751 1.00 0.00 C ATOM 2145 CD1 ILE A 135 131.988 -2.221 -5.879 1.00 0.00 C ATOM 0 H ILE A 135 132.671 -0.143 -5.328 1.00 0.00 H new ATOM 0 HA ILE A 135 132.187 1.450 -7.858 1.00 0.00 H new ATOM 0 HB ILE A 135 132.180 -0.639 -8.974 1.00 0.00 H new ATOM 0 HG12 ILE A 135 130.576 -1.816 -7.463 1.00 0.00 H new ATOM 0 HG13 ILE A 135 131.900 -2.860 -7.941 1.00 0.00 H new ATOM 0 HG21 ILE A 135 134.214 -1.895 -8.242 1.00 0.00 H new ATOM 0 HG22 ILE A 135 134.471 -0.135 -8.203 1.00 0.00 H new ATOM 0 HG23 ILE A 135 134.173 -1.025 -6.691 1.00 0.00 H new ATOM 0 HD11 ILE A 135 131.435 -3.088 -5.518 1.00 0.00 H new ATOM 0 HD12 ILE A 135 133.057 -2.405 -5.777 1.00 0.00 H new ATOM 0 HD13 ILE A 135 131.713 -1.345 -5.292 1.00 0.00 H new ATOM 2157 N ASP A 136 129.699 1.261 -7.773 1.00 0.00 N ATOM 2158 CA ASP A 136 128.229 1.261 -7.560 1.00 0.00 C ATOM 2159 C ASP A 136 127.534 0.264 -8.495 1.00 0.00 C ATOM 2160 O ASP A 136 127.240 0.554 -9.637 1.00 0.00 O ATOM 2161 CB ASP A 136 127.783 2.689 -7.863 1.00 0.00 C ATOM 2162 CG ASP A 136 126.310 2.860 -7.473 1.00 0.00 C ATOM 2163 OD1 ASP A 136 125.778 1.982 -6.809 1.00 0.00 O1- ATOM 2164 OD2 ASP A 136 125.738 3.873 -7.839 1.00 0.00 O ATOM 0 H ASP A 136 130.027 1.796 -8.577 1.00 0.00 H new ATOM 0 HA ASP A 136 127.969 0.957 -6.546 1.00 0.00 H new ATOM 0 HB2 ASP A 136 128.400 3.398 -7.312 1.00 0.00 H new ATOM 0 HB3 ASP A 136 127.917 2.906 -8.923 1.00 0.00 H new ATOM 2169 N GLU A 137 127.279 -0.914 -8.000 1.00 0.00 N ATOM 2170 CA GLU A 137 126.614 -1.967 -8.820 1.00 0.00 C ATOM 2171 C GLU A 137 125.163 -1.602 -9.143 1.00 0.00 C ATOM 2172 O GLU A 137 124.658 -1.912 -10.203 1.00 0.00 O ATOM 2173 CB GLU A 137 126.623 -3.207 -7.923 1.00 0.00 C ATOM 2174 CG GLU A 137 128.056 -3.692 -7.695 1.00 0.00 C ATOM 2175 CD GLU A 137 128.637 -4.215 -9.009 1.00 0.00 C ATOM 2176 OE1 GLU A 137 127.859 -4.535 -9.892 1.00 0.00 O ATOM 2177 OE2 GLU A 137 129.851 -4.296 -9.107 1.00 0.00 O1- ATOM 0 H GLU A 137 127.506 -1.197 -7.047 1.00 0.00 H new ATOM 0 HA GLU A 137 127.125 -2.105 -9.773 1.00 0.00 H new ATOM 0 HB2 GLU A 137 126.155 -2.975 -6.967 1.00 0.00 H new ATOM 0 HB3 GLU A 137 126.033 -4.000 -8.383 1.00 0.00 H new ATOM 0 HG2 GLU A 137 128.670 -2.876 -7.314 1.00 0.00 H new ATOM 0 HG3 GLU A 137 128.068 -4.480 -6.942 1.00 0.00 H new ATOM 2184 N LEU A 138 124.479 -0.977 -8.226 1.00 0.00 N ATOM 2185 CA LEU A 138 123.054 -0.637 -8.479 1.00 0.00 C ATOM 2186 C LEU A 138 122.847 0.873 -8.678 1.00 0.00 C ATOM 2187 O LEU A 138 123.569 1.675 -8.123 1.00 0.00 O ATOM 2188 CB LEU A 138 122.327 -1.101 -7.217 1.00 0.00 C ATOM 2189 CG LEU A 138 122.334 -2.631 -7.161 1.00 0.00 C ATOM 2190 CD1 LEU A 138 121.695 -3.103 -5.854 1.00 0.00 C ATOM 2191 CD2 LEU A 138 121.541 -3.185 -8.348 1.00 0.00 C ATOM 0 H LEU A 138 124.843 -0.689 -7.318 1.00 0.00 H new ATOM 0 HA LEU A 138 122.688 -1.110 -9.390 1.00 0.00 H new ATOM 0 HB2 LEU A 138 122.814 -0.691 -6.332 1.00 0.00 H new ATOM 0 HB3 LEU A 138 121.302 -0.731 -7.217 1.00 0.00 H new ATOM 0 HG LEU A 138 123.362 -2.991 -7.208 1.00 0.00 H new ATOM 0 HD11 LEU A 138 121.702 -4.192 -5.818 1.00 0.00 H new ATOM 0 HD12 LEU A 138 122.260 -2.709 -5.009 1.00 0.00 H new ATOM 0 HD13 LEU A 138 120.667 -2.745 -5.802 1.00 0.00 H new ATOM 0 HD21 LEU A 138 121.544 -4.274 -8.311 1.00 0.00 H new ATOM 0 HD22 LEU A 138 120.514 -2.823 -8.300 1.00 0.00 H new ATOM 0 HD23 LEU A 138 122.000 -2.852 -9.279 1.00 0.00 H new ATOM 2203 N PRO A 139 121.832 1.216 -9.449 1.00 0.00 N ATOM 2204 CA PRO A 139 121.508 2.644 -9.689 1.00 0.00 C ATOM 2205 C PRO A 139 120.871 3.220 -8.425 1.00 0.00 C ATOM 2206 O PRO A 139 120.832 2.568 -7.401 1.00 0.00 O ATOM 2207 CB PRO A 139 120.516 2.598 -10.845 1.00 0.00 C ATOM 2208 CG PRO A 139 119.887 1.242 -10.764 1.00 0.00 C ATOM 2209 CD PRO A 139 120.906 0.317 -10.157 1.00 0.00 C ATOM 0 HA PRO A 139 122.370 3.269 -9.923 1.00 0.00 H new ATOM 0 HB2 PRO A 139 119.768 3.386 -10.754 1.00 0.00 H new ATOM 0 HB3 PRO A 139 121.018 2.743 -11.802 1.00 0.00 H new ATOM 0 HG2 PRO A 139 118.983 1.272 -10.155 1.00 0.00 H new ATOM 0 HG3 PRO A 139 119.593 0.894 -11.754 1.00 0.00 H new ATOM 0 HD2 PRO A 139 120.442 -0.395 -9.474 1.00 0.00 H new ATOM 0 HD3 PRO A 139 121.422 -0.265 -10.921 1.00 0.00 H new ATOM 2217 N ASN A 140 120.355 4.418 -8.470 1.00 0.00 N ATOM 2218 CA ASN A 140 119.716 4.994 -7.251 1.00 0.00 C ATOM 2219 C ASN A 140 118.252 5.360 -7.544 1.00 0.00 C ATOM 2220 O ASN A 140 117.557 5.892 -6.699 1.00 0.00 O ATOM 2221 CB ASN A 140 120.526 6.258 -6.955 1.00 0.00 C ATOM 2222 CG ASN A 140 122.007 5.898 -6.813 1.00 0.00 C ATOM 2223 OD1 ASN A 140 122.409 5.299 -5.836 1.00 0.00 O ATOM 2224 ND2 ASN A 140 122.837 6.234 -7.762 1.00 0.00 N ATOM 0 H ASN A 140 120.348 5.021 -9.293 1.00 0.00 H new ATOM 0 HA ASN A 140 119.711 4.296 -6.413 1.00 0.00 H new ATOM 0 HB2 ASN A 140 120.393 6.983 -7.758 1.00 0.00 H new ATOM 0 HB3 ASN A 140 120.166 6.727 -6.039 1.00 0.00 H new ATOM 0 HD21 ASN A 140 123.825 5.994 -7.684 1.00 0.00 H new ATOM 0 HD22 ASN A 140 122.498 6.737 -8.582 1.00 0.00 H new ATOM 2231 N THR A 141 117.775 5.100 -8.740 1.00 0.00 N ATOM 2232 CA THR A 141 116.372 5.458 -9.080 1.00 0.00 C ATOM 2233 C THR A 141 115.384 4.681 -8.212 1.00 0.00 C ATOM 2234 O THR A 141 115.744 3.761 -7.505 1.00 0.00 O ATOM 2235 CB THR A 141 116.216 5.069 -10.551 1.00 0.00 C ATOM 2236 OG1 THR A 141 116.451 3.675 -10.696 1.00 0.00 O ATOM 2237 CG2 THR A 141 117.220 5.851 -11.399 1.00 0.00 C ATOM 0 H THR A 141 118.302 4.655 -9.491 1.00 0.00 H new ATOM 0 HA THR A 141 116.167 6.514 -8.906 1.00 0.00 H new ATOM 0 HB THR A 141 115.205 5.304 -10.885 1.00 0.00 H new ATOM 0 HG1 THR A 141 116.350 3.422 -11.637 1.00 0.00 H new ATOM 0 HG21 THR A 141 117.107 5.572 -12.447 1.00 0.00 H new ATOM 0 HG22 THR A 141 117.037 6.920 -11.286 1.00 0.00 H new ATOM 0 HG23 THR A 141 118.233 5.620 -11.069 1.00 0.00 H new ATOM 2245 N ILE A 142 114.139 5.065 -8.248 1.00 0.00 N ATOM 2246 CA ILE A 142 113.117 4.376 -7.413 1.00 0.00 C ATOM 2247 C ILE A 142 112.413 3.280 -8.211 1.00 0.00 C ATOM 2248 O ILE A 142 112.010 3.477 -9.341 1.00 0.00 O ATOM 2249 CB ILE A 142 112.125 5.467 -7.020 1.00 0.00 C ATOM 2250 CG1 ILE A 142 112.851 6.539 -6.201 1.00 0.00 C ATOM 2251 CG2 ILE A 142 111.004 4.850 -6.181 1.00 0.00 C ATOM 2252 CD1 ILE A 142 111.939 7.754 -6.031 1.00 0.00 C ATOM 0 H ILE A 142 113.784 5.830 -8.822 1.00 0.00 H new ATOM 0 HA ILE A 142 113.563 3.892 -6.544 1.00 0.00 H new ATOM 0 HB ILE A 142 111.700 5.921 -7.915 1.00 0.00 H new ATOM 0 HG12 ILE A 142 113.129 6.140 -5.225 1.00 0.00 H new ATOM 0 HG13 ILE A 142 113.774 6.831 -6.701 1.00 0.00 H new ATOM 0 HG21 ILE A 142 110.293 5.626 -5.898 1.00 0.00 H new ATOM 0 HG22 ILE A 142 110.493 4.084 -6.764 1.00 0.00 H new ATOM 0 HG23 ILE A 142 111.427 4.400 -5.283 1.00 0.00 H new ATOM 0 HD11 ILE A 142 112.455 8.517 -5.448 1.00 0.00 H new ATOM 0 HD12 ILE A 142 111.683 8.157 -7.011 1.00 0.00 H new ATOM 0 HD13 ILE A 142 111.028 7.455 -5.512 1.00 0.00 H new ATOM 2264 N SER A 143 112.231 2.137 -7.617 1.00 0.00 N ATOM 2265 CA SER A 143 111.518 1.037 -8.318 1.00 0.00 C ATOM 2266 C SER A 143 110.033 1.100 -7.946 1.00 0.00 C ATOM 2267 O SER A 143 109.685 1.269 -6.798 1.00 0.00 O ATOM 2268 CB SER A 143 112.165 -0.245 -7.801 1.00 0.00 C ATOM 2269 OG SER A 143 113.384 -0.467 -8.498 1.00 0.00 O ATOM 0 H SER A 143 112.546 1.916 -6.672 1.00 0.00 H new ATOM 0 HA SER A 143 111.586 1.098 -9.404 1.00 0.00 H new ATOM 0 HB2 SER A 143 112.354 -0.165 -6.730 1.00 0.00 H new ATOM 0 HB3 SER A 143 111.491 -1.090 -7.944 1.00 0.00 H new ATOM 0 HG SER A 143 113.285 -1.241 -9.091 1.00 0.00 H new ATOM 2275 N LYS A 144 109.154 0.982 -8.900 1.00 0.00 N ATOM 2276 CA LYS A 144 107.700 1.049 -8.572 1.00 0.00 C ATOM 2277 C LYS A 144 106.963 -0.152 -9.166 1.00 0.00 C ATOM 2278 O LYS A 144 107.310 -0.650 -10.217 1.00 0.00 O ATOM 2279 CB LYS A 144 107.207 2.351 -9.202 1.00 0.00 C ATOM 2280 CG LYS A 144 107.881 3.537 -8.512 1.00 0.00 C ATOM 2281 CD LYS A 144 107.393 4.841 -9.143 1.00 0.00 C ATOM 2282 CE LYS A 144 108.078 6.026 -8.456 1.00 0.00 C ATOM 2283 NZ LYS A 144 107.511 7.242 -9.109 1.00 0.00 N1+ ATOM 0 H LYS A 144 109.375 0.843 -9.886 1.00 0.00 H new ATOM 0 HA LYS A 144 107.521 1.026 -7.497 1.00 0.00 H new ATOM 0 HB2 LYS A 144 107.433 2.360 -10.268 1.00 0.00 H new ATOM 0 HB3 LYS A 144 106.124 2.427 -9.105 1.00 0.00 H new ATOM 0 HG2 LYS A 144 107.652 3.529 -7.446 1.00 0.00 H new ATOM 0 HG3 LYS A 144 108.964 3.458 -8.606 1.00 0.00 H new ATOM 0 HD2 LYS A 144 107.615 4.847 -10.210 1.00 0.00 H new ATOM 0 HD3 LYS A 144 106.311 4.924 -9.042 1.00 0.00 H new ATOM 0 HE2 LYS A 144 107.880 6.027 -7.384 1.00 0.00 H new ATOM 0 HE3 LYS A 144 109.160 5.981 -8.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 144 107.936 8.093 -8.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 144 107.721 7.219 -10.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 144 106.481 7.263 -8.968 1.00 0.00 H new ATOM 2297 N GLY A 145 105.945 -0.619 -8.496 1.00 0.00 N ATOM 2298 CA GLY A 145 105.182 -1.786 -9.018 1.00 0.00 C ATOM 2299 C GLY A 145 104.013 -1.291 -9.869 1.00 0.00 C ATOM 2300 O GLY A 145 103.678 -1.964 -10.830 1.00 0.00 O ATOM 2301 OXT GLY A 145 103.474 -0.246 -9.546 1.00 0.00 O ATOM 0 H GLY A 145 105.609 -0.242 -7.610 1.00 0.00 H new ATOM 0 HA2 GLY A 145 105.835 -2.424 -9.614 1.00 0.00 H new ATOM 0 HA3 GLY A 145 104.813 -2.392 -8.191 1.00 0.00 H new TER 2305 GLY A 145