USER MOD reduce.3.24.130724 H: found=0, std=0, add=834, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 833 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 49 TYR OH : rot 180:sc= 0.249 USER MOD Set 1.2: A 100 LYS NZ :NH3+ 172:sc= 0.815 (180deg=0.46) USER MOD Set 2.1: A 32 CYS SG : rot -176:sc= 0.102 USER MOD Set 2.2: A 35 CYS SG : rot -80:sc= -0.378 USER MOD Set 3.1: A 8 THR OG1 : rot 180:sc= 1.07 USER MOD Set 3.2: A 11 SER OG : rot -84:sc= 2.03 USER MOD Set 4.1: A 1 SER N :NH3+ -155:sc= 0.192 (180deg=0.0221) USER MOD Set 4.2: A 3 LYS NZ :NH3+ -124:sc= 0.0615 (180deg=0.353) USER MOD Single : A 1 SER OG : rot 180:sc= 0.401 USER MOD Single : A 6 HIS : no HD1:sc= -0.214 X(o=-0.21,f=-0.016) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.0109 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 MET CE :methyl 178:sc= 0 (180deg=-0.0103) USER MOD Single : A 50 GLN : amide:sc= 1.15 K(o=1.2,f=-0.0014) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ -168:sc= 0.711 (180deg=0.527) USER MOD Single : A 59 ASN : amide:sc= 2.4 K(o=2.4,f=-8.4!) USER MOD Single : A 62 GLN : amide:sc= -0.0128 X(o=-0.013,f=-0.03) USER MOD Single : A 63 ASN : amide:sc= 1.24 K(o=1.2,f=-6.1!) USER MOD Single : A 66 THR OG1 : rot 70:sc= 1.07 USER MOD Single : A 69 LYS NZ :NH3+ -170:sc= 0.513 (180deg=0.488) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 THR OG1 : rot -63:sc= 1.14 USER MOD Single : A 82 LYS NZ :NH3+ -168:sc= 1.03 (180deg=0.96) USER MOD Single : A 83 ASN : amide:sc= 0.963 K(o=0.96,f=-1.7) USER MOD Single : A 89 THR OG1 : rot 36:sc= 1.16 USER MOD Single : A 90 LYS NZ :NH3+ 160:sc= 1.69 (180deg=1.2) USER MOD Single : A 95 SER OG : rot 180:sc= 0.026 USER MOD Single : A 96 LYS NZ :NH3+ -177:sc= 1.49 (180deg=1.48) USER MOD Single : A 98 GLN : amide:sc= -0.136 X(o=-0.14,f=-0.19) USER MOD Single : A 106 ASN : amide:sc= 0.225 K(o=0.23,f=-5.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -16.175 -0.548 -9.521 1.00 0.00 N ATOM 2 CA SER A 1 -15.623 0.159 -8.381 1.00 0.00 C ATOM 3 C SER A 1 -14.162 -0.247 -8.189 1.00 0.00 C ATOM 4 O SER A 1 -13.245 0.522 -8.466 1.00 0.00 O ATOM 5 CB SER A 1 -16.473 -0.195 -7.156 1.00 0.00 C ATOM 6 OG SER A 1 -16.667 -1.603 -7.111 1.00 0.00 O ATOM 0 H1 SER A 1 -16.970 -0.005 -9.915 1.00 0.00 H new ATOM 0 H2 SER A 1 -15.440 -0.662 -10.248 1.00 0.00 H new ATOM 0 H3 SER A 1 -16.512 -1.484 -9.219 1.00 0.00 H new ATOM 0 HA SER A 1 -15.646 1.238 -8.534 1.00 0.00 H new ATOM 0 HB2 SER A 1 -15.979 0.145 -6.246 1.00 0.00 H new ATOM 0 HB3 SER A 1 -17.435 0.315 -7.207 1.00 0.00 H new ATOM 0 HG SER A 1 -17.209 -1.834 -6.328 1.00 0.00 H new ATOM 12 N ASP A 2 -13.959 -1.482 -7.721 1.00 0.00 N ATOM 13 CA ASP A 2 -12.652 -2.080 -7.476 1.00 0.00 C ATOM 14 C ASP A 2 -11.968 -2.425 -8.805 1.00 0.00 C ATOM 15 O ASP A 2 -11.670 -3.587 -9.081 1.00 0.00 O ATOM 16 CB ASP A 2 -12.829 -3.316 -6.579 1.00 0.00 C ATOM 17 CG ASP A 2 -11.507 -4.000 -6.228 1.00 0.00 C ATOM 18 OD1 ASP A 2 -10.474 -3.295 -6.220 1.00 0.00 O ATOM 19 OD2 ASP A 2 -11.550 -5.222 -5.969 1.00 0.00 O ATOM 0 H ASP A 2 -14.730 -2.111 -7.496 1.00 0.00 H new ATOM 0 HA ASP A 2 -12.004 -1.372 -6.960 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -13.333 -3.020 -5.659 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -13.479 -4.032 -7.082 1.00 0.00 H new ATOM 24 N LYS A 3 -11.694 -1.418 -9.636 1.00 0.00 N ATOM 25 CA LYS A 3 -11.043 -1.582 -10.929 1.00 0.00 C ATOM 26 C LYS A 3 -9.533 -1.705 -10.706 1.00 0.00 C ATOM 27 O LYS A 3 -8.754 -0.940 -11.271 1.00 0.00 O ATOM 28 CB LYS A 3 -11.398 -0.388 -11.832 1.00 0.00 C ATOM 29 CG LYS A 3 -12.910 -0.259 -12.060 1.00 0.00 C ATOM 30 CD LYS A 3 -13.194 0.930 -12.986 1.00 0.00 C ATOM 31 CE LYS A 3 -14.690 1.069 -13.295 1.00 0.00 C ATOM 32 NZ LYS A 3 -15.482 1.380 -12.092 1.00 0.00 N ATOM 0 H LYS A 3 -11.925 -0.448 -9.421 1.00 0.00 H new ATOM 0 HA LYS A 3 -11.388 -2.487 -11.429 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -11.021 0.530 -11.381 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -10.896 -0.500 -12.793 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -13.301 -1.176 -12.500 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -13.421 -0.120 -11.107 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -12.833 1.847 -12.521 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -12.641 0.805 -13.917 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -14.834 1.855 -14.036 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -15.055 0.143 -13.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -16.228 0.665 -11.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -14.862 1.375 -11.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -15.916 2.319 -12.195 1.00 0.00 H new ATOM 46 N ILE A 4 -9.126 -2.657 -9.862 1.00 0.00 N ATOM 47 CA ILE A 4 -7.736 -2.870 -9.498 1.00 0.00 C ATOM 48 C ILE A 4 -7.199 -4.133 -10.158 1.00 0.00 C ATOM 49 O ILE A 4 -7.857 -5.174 -10.158 1.00 0.00 O ATOM 50 CB ILE A 4 -7.582 -2.926 -7.970 1.00 0.00 C ATOM 51 CG1 ILE A 4 -8.008 -1.572 -7.373 1.00 0.00 C ATOM 52 CG2 ILE A 4 -6.131 -3.255 -7.599 1.00 0.00 C ATOM 53 CD1 ILE A 4 -7.663 -1.436 -5.890 1.00 0.00 C ATOM 0 H ILE A 4 -9.768 -3.308 -9.409 1.00 0.00 H new ATOM 0 HA ILE A 4 -7.146 -2.028 -9.861 1.00 0.00 H new ATOM 0 HB ILE A 4 -8.219 -3.711 -7.562 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -7.524 -0.768 -7.928 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -9.083 -1.446 -7.503 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -6.032 -3.292 -6.514 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -5.858 -4.222 -8.022 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -5.470 -2.485 -7.997 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -7.989 -0.461 -5.529 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -8.169 -2.219 -5.325 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -6.585 -1.531 -5.757 1.00 0.00 H new ATOM 65 N ILE A 5 -5.978 -4.046 -10.686 1.00 0.00 N ATOM 66 CA ILE A 5 -5.303 -5.172 -11.312 1.00 0.00 C ATOM 67 C ILE A 5 -4.534 -5.964 -10.259 1.00 0.00 C ATOM 68 O ILE A 5 -3.577 -5.472 -9.664 1.00 0.00 O ATOM 69 CB ILE A 5 -4.397 -4.695 -12.464 1.00 0.00 C ATOM 70 CG1 ILE A 5 -5.117 -3.757 -13.451 1.00 0.00 C ATOM 71 CG2 ILE A 5 -3.782 -5.893 -13.202 1.00 0.00 C ATOM 72 CD1 ILE A 5 -6.378 -4.355 -14.088 1.00 0.00 C ATOM 0 H ILE A 5 -5.430 -3.185 -10.689 1.00 0.00 H new ATOM 0 HA ILE A 5 -6.044 -5.839 -11.753 1.00 0.00 H new ATOM 0 HB ILE A 5 -3.599 -4.109 -12.008 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -5.388 -2.839 -12.929 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -4.421 -3.479 -14.243 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -3.146 -5.534 -14.011 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -3.185 -6.482 -12.506 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -4.577 -6.514 -13.614 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -6.822 -3.628 -14.769 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -6.114 -5.256 -14.641 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -7.096 -4.606 -13.307 1.00 0.00 H new ATOM 84 N HIS A 6 -4.961 -7.203 -10.030 1.00 0.00 N ATOM 85 CA HIS A 6 -4.347 -8.100 -9.073 1.00 0.00 C ATOM 86 C HIS A 6 -3.159 -8.788 -9.741 1.00 0.00 C ATOM 87 O HIS A 6 -3.333 -9.756 -10.477 1.00 0.00 O ATOM 88 CB HIS A 6 -5.434 -9.032 -8.530 1.00 0.00 C ATOM 89 CG HIS A 6 -6.445 -8.224 -7.746 1.00 0.00 C ATOM 90 ND1 HIS A 6 -7.712 -7.840 -8.151 1.00 0.00 N ATOM 91 CD2 HIS A 6 -6.102 -7.439 -6.685 1.00 0.00 C ATOM 92 CE1 HIS A 6 -8.131 -6.867 -7.315 1.00 0.00 C ATOM 93 NE2 HIS A 6 -7.170 -6.616 -6.412 1.00 0.00 N ATOM 0 H HIS A 6 -5.758 -7.613 -10.517 1.00 0.00 H new ATOM 0 HA HIS A 6 -3.932 -7.587 -8.205 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -5.926 -9.552 -9.352 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -4.988 -9.795 -7.892 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -5.161 -7.460 -6.155 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -9.088 -6.369 -7.365 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -7.222 -5.934 -5.655 1.00 0.00 H new ATOM 102 N LEU A 7 -1.960 -8.247 -9.510 1.00 0.00 N ATOM 103 CA LEU A 7 -0.727 -8.700 -10.127 1.00 0.00 C ATOM 104 C LEU A 7 -0.072 -9.833 -9.348 1.00 0.00 C ATOM 105 O LEU A 7 -0.340 -10.046 -8.165 1.00 0.00 O ATOM 106 CB LEU A 7 0.270 -7.536 -10.168 1.00 0.00 C ATOM 107 CG LEU A 7 -0.179 -6.345 -11.018 1.00 0.00 C ATOM 108 CD1 LEU A 7 0.738 -5.170 -10.678 1.00 0.00 C ATOM 109 CD2 LEU A 7 -0.082 -6.657 -12.512 1.00 0.00 C ATOM 0 H LEU A 7 -1.825 -7.463 -8.872 1.00 0.00 H new ATOM 0 HA LEU A 7 -0.980 -9.059 -11.125 1.00 0.00 H new ATOM 0 HB2 LEU A 7 0.450 -7.192 -9.149 1.00 0.00 H new ATOM 0 HB3 LEU A 7 1.222 -7.903 -10.553 1.00 0.00 H new ATOM 0 HG LEU A 7 -1.222 -6.112 -10.801 1.00 0.00 H new ATOM 0 HD11 LEU A 7 0.448 -4.300 -11.266 1.00 0.00 H new ATOM 0 HD12 LEU A 7 0.651 -4.936 -9.617 1.00 0.00 H new ATOM 0 HD13 LEU A 7 1.770 -5.435 -10.908 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -0.408 -5.790 -13.087 1.00 0.00 H new ATOM 0 HD22 LEU A 7 0.951 -6.894 -12.768 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -0.719 -7.509 -12.748 1.00 0.00 H new ATOM 121 N THR A 8 0.851 -10.509 -10.029 1.00 0.00 N ATOM 122 CA THR A 8 1.701 -11.555 -9.506 1.00 0.00 C ATOM 123 C THR A 8 3.094 -11.319 -10.095 1.00 0.00 C ATOM 124 O THR A 8 3.233 -10.570 -11.063 1.00 0.00 O ATOM 125 CB THR A 8 1.155 -12.940 -9.884 1.00 0.00 C ATOM 126 OG1 THR A 8 1.291 -13.169 -11.278 1.00 0.00 O ATOM 127 CG2 THR A 8 -0.316 -13.110 -9.490 1.00 0.00 C ATOM 0 H THR A 8 1.029 -10.324 -11.016 1.00 0.00 H new ATOM 0 HA THR A 8 1.738 -11.529 -8.417 1.00 0.00 H new ATOM 0 HB THR A 8 1.745 -13.670 -9.329 1.00 0.00 H new ATOM 0 HG1 THR A 8 0.939 -14.056 -11.500 1.00 0.00 H new ATOM 0 HG21 THR A 8 -0.657 -14.105 -9.777 1.00 0.00 H new ATOM 0 HG22 THR A 8 -0.420 -12.988 -8.412 1.00 0.00 H new ATOM 0 HG23 THR A 8 -0.918 -12.358 -10.000 1.00 0.00 H new ATOM 135 N ASP A 9 4.123 -11.959 -9.540 1.00 0.00 N ATOM 136 CA ASP A 9 5.491 -11.834 -10.025 1.00 0.00 C ATOM 137 C ASP A 9 5.550 -12.188 -11.513 1.00 0.00 C ATOM 138 O ASP A 9 6.129 -11.460 -12.315 1.00 0.00 O ATOM 139 CB ASP A 9 6.400 -12.740 -9.182 1.00 0.00 C ATOM 140 CG ASP A 9 7.872 -12.574 -9.548 1.00 0.00 C ATOM 141 OD1 ASP A 9 8.272 -13.164 -10.574 1.00 0.00 O ATOM 142 OD2 ASP A 9 8.582 -11.881 -8.788 1.00 0.00 O ATOM 0 H ASP A 9 4.027 -12.581 -8.737 1.00 0.00 H new ATOM 0 HA ASP A 9 5.840 -10.807 -9.923 1.00 0.00 H new ATOM 0 HB2 ASP A 9 6.261 -12.510 -8.126 1.00 0.00 H new ATOM 0 HB3 ASP A 9 6.107 -13.780 -9.323 1.00 0.00 H new ATOM 147 N ASP A 10 4.909 -13.304 -11.869 1.00 0.00 N ATOM 148 CA ASP A 10 4.833 -13.801 -13.235 1.00 0.00 C ATOM 149 C ASP A 10 4.166 -12.795 -14.180 1.00 0.00 C ATOM 150 O ASP A 10 4.641 -12.589 -15.293 1.00 0.00 O ATOM 151 CB ASP A 10 4.074 -15.131 -13.242 1.00 0.00 C ATOM 152 CG ASP A 10 3.883 -15.656 -14.662 1.00 0.00 C ATOM 153 OD1 ASP A 10 4.850 -16.253 -15.180 1.00 0.00 O ATOM 154 OD2 ASP A 10 2.772 -15.449 -15.195 1.00 0.00 O ATOM 0 H ASP A 10 4.420 -13.896 -11.198 1.00 0.00 H new ATOM 0 HA ASP A 10 5.848 -13.950 -13.602 1.00 0.00 H new ATOM 0 HB2 ASP A 10 4.620 -15.866 -12.651 1.00 0.00 H new ATOM 0 HB3 ASP A 10 3.102 -14.999 -12.767 1.00 0.00 H new ATOM 159 N SER A 11 3.063 -12.170 -13.751 1.00 0.00 N ATOM 160 CA SER A 11 2.332 -11.250 -14.616 1.00 0.00 C ATOM 161 C SER A 11 3.021 -9.886 -14.690 1.00 0.00 C ATOM 162 O SER A 11 2.916 -9.205 -15.709 1.00 0.00 O ATOM 163 CB SER A 11 0.879 -11.124 -14.143 1.00 0.00 C ATOM 164 OG SER A 11 0.811 -10.879 -12.753 1.00 0.00 O ATOM 0 H SER A 11 2.664 -12.286 -12.819 1.00 0.00 H new ATOM 0 HA SER A 11 2.328 -11.657 -15.627 1.00 0.00 H new ATOM 0 HB2 SER A 11 0.388 -10.314 -14.682 1.00 0.00 H new ATOM 0 HB3 SER A 11 0.336 -12.039 -14.380 1.00 0.00 H new ATOM 0 HG SER A 11 0.857 -11.729 -12.268 1.00 0.00 H new ATOM 170 N PHE A 12 3.717 -9.494 -13.620 1.00 0.00 N ATOM 171 CA PHE A 12 4.434 -8.231 -13.472 1.00 0.00 C ATOM 172 C PHE A 12 5.113 -7.758 -14.763 1.00 0.00 C ATOM 173 O PHE A 12 4.969 -6.604 -15.165 1.00 0.00 O ATOM 174 CB PHE A 12 5.470 -8.374 -12.350 1.00 0.00 C ATOM 175 CG PHE A 12 5.873 -7.056 -11.738 1.00 0.00 C ATOM 176 CD1 PHE A 12 5.102 -6.521 -10.694 1.00 0.00 C ATOM 177 CD2 PHE A 12 6.976 -6.340 -12.237 1.00 0.00 C ATOM 178 CE1 PHE A 12 5.474 -5.311 -10.090 1.00 0.00 C ATOM 179 CE2 PHE A 12 7.305 -5.094 -11.679 1.00 0.00 C ATOM 180 CZ PHE A 12 6.578 -4.600 -10.583 1.00 0.00 C ATOM 0 H PHE A 12 3.798 -10.083 -12.791 1.00 0.00 H new ATOM 0 HA PHE A 12 3.697 -7.467 -13.223 1.00 0.00 H new ATOM 0 HB2 PHE A 12 5.065 -9.019 -11.571 1.00 0.00 H new ATOM 0 HB3 PHE A 12 6.357 -8.869 -12.745 1.00 0.00 H new ATOM 0 HD1 PHE A 12 4.219 -7.043 -10.355 1.00 0.00 H new ATOM 0 HD2 PHE A 12 7.567 -6.746 -13.045 1.00 0.00 H new ATOM 0 HE1 PHE A 12 4.913 -4.929 -9.250 1.00 0.00 H new ATOM 0 HE2 PHE A 12 8.117 -4.515 -12.093 1.00 0.00 H new ATOM 0 HZ PHE A 12 6.870 -3.670 -10.119 1.00 0.00 H new ATOM 190 N ASP A 13 5.860 -8.653 -15.417 1.00 0.00 N ATOM 191 CA ASP A 13 6.546 -8.334 -16.661 1.00 0.00 C ATOM 192 C ASP A 13 5.588 -7.687 -17.664 1.00 0.00 C ATOM 193 O ASP A 13 5.754 -6.539 -18.068 1.00 0.00 O ATOM 194 CB ASP A 13 7.164 -9.605 -17.260 1.00 0.00 C ATOM 195 CG ASP A 13 7.609 -9.381 -18.705 1.00 0.00 C ATOM 196 OD1 ASP A 13 8.702 -8.801 -18.879 1.00 0.00 O ATOM 197 OD2 ASP A 13 6.830 -9.764 -19.607 1.00 0.00 O ATOM 0 H ASP A 13 6.002 -9.611 -15.097 1.00 0.00 H new ATOM 0 HA ASP A 13 7.340 -7.620 -16.442 1.00 0.00 H new ATOM 0 HB2 ASP A 13 8.019 -9.914 -16.658 1.00 0.00 H new ATOM 0 HB3 ASP A 13 6.438 -10.417 -17.223 1.00 0.00 H new ATOM 202 N THR A 14 4.593 -8.451 -18.093 1.00 0.00 N ATOM 203 CA THR A 14 3.670 -8.016 -19.115 1.00 0.00 C ATOM 204 C THR A 14 2.747 -6.907 -18.613 1.00 0.00 C ATOM 205 O THR A 14 2.526 -5.916 -19.306 1.00 0.00 O ATOM 206 CB THR A 14 2.901 -9.249 -19.610 1.00 0.00 C ATOM 207 OG1 THR A 14 3.792 -10.350 -19.672 1.00 0.00 O ATOM 208 CG2 THR A 14 2.290 -9.014 -20.992 1.00 0.00 C ATOM 0 H THR A 14 4.409 -9.389 -17.738 1.00 0.00 H new ATOM 0 HA THR A 14 4.215 -7.574 -19.949 1.00 0.00 H new ATOM 0 HB THR A 14 2.087 -9.450 -18.913 1.00 0.00 H new ATOM 0 HG1 THR A 14 3.310 -11.144 -19.986 1.00 0.00 H new ATOM 0 HG21 THR A 14 1.754 -9.908 -21.310 1.00 0.00 H new ATOM 0 HG22 THR A 14 1.598 -8.173 -20.946 1.00 0.00 H new ATOM 0 HG23 THR A 14 3.082 -8.793 -21.707 1.00 0.00 H new ATOM 216 N ASP A 15 2.184 -7.092 -17.421 1.00 0.00 N ATOM 217 CA ASP A 15 1.184 -6.191 -16.873 1.00 0.00 C ATOM 218 C ASP A 15 1.735 -4.886 -16.308 1.00 0.00 C ATOM 219 O ASP A 15 0.964 -3.940 -16.184 1.00 0.00 O ATOM 220 CB ASP A 15 0.334 -6.925 -15.832 1.00 0.00 C ATOM 221 CG ASP A 15 -0.549 -8.002 -16.455 1.00 0.00 C ATOM 222 OD1 ASP A 15 0.017 -9.036 -16.873 1.00 0.00 O ATOM 223 OD2 ASP A 15 -1.777 -7.776 -16.496 1.00 0.00 O ATOM 0 H ASP A 15 2.412 -7.875 -16.809 1.00 0.00 H new ATOM 0 HA ASP A 15 0.565 -5.886 -17.716 1.00 0.00 H new ATOM 0 HB2 ASP A 15 0.988 -7.381 -15.089 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -0.293 -6.205 -15.306 1.00 0.00 H new ATOM 228 N VAL A 16 3.019 -4.817 -15.945 1.00 0.00 N ATOM 229 CA VAL A 16 3.624 -3.598 -15.415 1.00 0.00 C ATOM 230 C VAL A 16 4.780 -3.166 -16.309 1.00 0.00 C ATOM 231 O VAL A 16 4.761 -2.068 -16.868 1.00 0.00 O ATOM 232 CB VAL A 16 4.085 -3.778 -13.954 1.00 0.00 C ATOM 233 CG1 VAL A 16 4.628 -2.461 -13.387 1.00 0.00 C ATOM 234 CG2 VAL A 16 2.928 -4.243 -13.068 1.00 0.00 C ATOM 0 H VAL A 16 3.664 -5.604 -16.011 1.00 0.00 H new ATOM 0 HA VAL A 16 2.868 -2.813 -15.412 1.00 0.00 H new ATOM 0 HB VAL A 16 4.872 -4.532 -13.956 1.00 0.00 H new ATOM 0 HG11 VAL A 16 4.947 -2.613 -12.356 1.00 0.00 H new ATOM 0 HG12 VAL A 16 5.478 -2.130 -13.985 1.00 0.00 H new ATOM 0 HG13 VAL A 16 3.846 -1.702 -13.417 1.00 0.00 H new ATOM 0 HG21 VAL A 16 3.280 -4.362 -12.043 1.00 0.00 H new ATOM 0 HG22 VAL A 16 2.129 -3.502 -13.094 1.00 0.00 H new ATOM 0 HG23 VAL A 16 2.549 -5.197 -13.435 1.00 0.00 H new ATOM 244 N LEU A 17 5.806 -4.011 -16.438 1.00 0.00 N ATOM 245 CA LEU A 17 6.997 -3.620 -17.180 1.00 0.00 C ATOM 246 C LEU A 17 6.705 -3.282 -18.640 1.00 0.00 C ATOM 247 O LEU A 17 7.253 -2.310 -19.155 1.00 0.00 O ATOM 248 CB LEU A 17 8.162 -4.597 -16.976 1.00 0.00 C ATOM 249 CG LEU A 17 8.501 -4.785 -15.485 1.00 0.00 C ATOM 250 CD1 LEU A 17 9.691 -5.737 -15.334 1.00 0.00 C ATOM 251 CD2 LEU A 17 8.843 -3.454 -14.799 1.00 0.00 C ATOM 0 H LEU A 17 5.833 -4.952 -16.045 1.00 0.00 H new ATOM 0 HA LEU A 17 7.340 -2.680 -16.748 1.00 0.00 H new ATOM 0 HB2 LEU A 17 7.907 -5.562 -17.415 1.00 0.00 H new ATOM 0 HB3 LEU A 17 9.041 -4.229 -17.504 1.00 0.00 H new ATOM 0 HG LEU A 17 7.616 -5.202 -15.005 1.00 0.00 H new ATOM 0 HD11 LEU A 17 9.924 -5.864 -14.277 1.00 0.00 H new ATOM 0 HD12 LEU A 17 9.440 -6.704 -15.769 1.00 0.00 H new ATOM 0 HD13 LEU A 17 10.557 -5.321 -15.849 1.00 0.00 H new ATOM 0 HD21 LEU A 17 9.075 -3.635 -13.749 1.00 0.00 H new ATOM 0 HD22 LEU A 17 9.706 -3.003 -15.289 1.00 0.00 H new ATOM 0 HD23 LEU A 17 7.991 -2.778 -14.871 1.00 0.00 H new ATOM 263 N LYS A 18 5.828 -4.041 -19.302 1.00 0.00 N ATOM 264 CA LYS A 18 5.474 -3.769 -20.691 1.00 0.00 C ATOM 265 C LYS A 18 4.201 -2.914 -20.791 1.00 0.00 C ATOM 266 O LYS A 18 3.643 -2.782 -21.880 1.00 0.00 O ATOM 267 CB LYS A 18 5.352 -5.087 -21.467 1.00 0.00 C ATOM 268 CG LYS A 18 6.668 -5.877 -21.429 1.00 0.00 C ATOM 269 CD LYS A 18 6.580 -7.249 -22.115 1.00 0.00 C ATOM 270 CE LYS A 18 6.261 -7.138 -23.610 1.00 0.00 C ATOM 271 NZ LYS A 18 6.328 -8.455 -24.269 1.00 0.00 N ATOM 0 H LYS A 18 5.352 -4.847 -18.896 1.00 0.00 H new ATOM 0 HA LYS A 18 6.271 -3.183 -21.148 1.00 0.00 H new ATOM 0 HB2 LYS A 18 4.550 -5.690 -21.041 1.00 0.00 H new ATOM 0 HB3 LYS A 18 5.079 -4.879 -22.502 1.00 0.00 H new ATOM 0 HG2 LYS A 18 7.450 -5.289 -21.910 1.00 0.00 H new ATOM 0 HG3 LYS A 18 6.968 -6.018 -20.391 1.00 0.00 H new ATOM 0 HD2 LYS A 18 7.525 -7.777 -21.987 1.00 0.00 H new ATOM 0 HD3 LYS A 18 5.811 -7.847 -21.626 1.00 0.00 H new ATOM 0 HE2 LYS A 18 5.266 -6.713 -23.742 1.00 0.00 H new ATOM 0 HE3 LYS A 18 6.965 -6.455 -24.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 6.108 -8.349 -25.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 7.285 -8.848 -24.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 5.639 -9.098 -23.830 1.00 0.00 H new ATOM 285 N ALA A 19 3.729 -2.320 -19.687 1.00 0.00 N ATOM 286 CA ALA A 19 2.514 -1.519 -19.697 1.00 0.00 C ATOM 287 C ALA A 19 2.818 -0.037 -19.901 1.00 0.00 C ATOM 288 O ALA A 19 3.141 0.683 -18.953 1.00 0.00 O ATOM 289 CB ALA A 19 1.722 -1.749 -18.417 1.00 0.00 C ATOM 0 H ALA A 19 4.179 -2.384 -18.774 1.00 0.00 H new ATOM 0 HA ALA A 19 1.905 -1.838 -20.543 1.00 0.00 H new ATOM 0 HB1 ALA A 19 0.815 -1.144 -18.436 1.00 0.00 H new ATOM 0 HB2 ALA A 19 1.454 -2.803 -18.339 1.00 0.00 H new ATOM 0 HB3 ALA A 19 2.329 -1.465 -17.557 1.00 0.00 H new ATOM 295 N ASP A 20 2.677 0.436 -21.142 1.00 0.00 N ATOM 296 CA ASP A 20 2.869 1.839 -21.488 1.00 0.00 C ATOM 297 C ASP A 20 1.653 2.653 -21.040 1.00 0.00 C ATOM 298 O ASP A 20 0.888 3.165 -21.854 1.00 0.00 O ATOM 299 CB ASP A 20 3.130 1.971 -22.990 1.00 0.00 C ATOM 300 CG ASP A 20 3.443 3.406 -23.413 1.00 0.00 C ATOM 301 OD1 ASP A 20 3.844 4.200 -22.533 1.00 0.00 O ATOM 302 OD2 ASP A 20 3.281 3.683 -24.621 1.00 0.00 O ATOM 0 H ASP A 20 2.425 -0.151 -21.937 1.00 0.00 H new ATOM 0 HA ASP A 20 3.740 2.236 -20.967 1.00 0.00 H new ATOM 0 HB2 ASP A 20 3.963 1.325 -23.267 1.00 0.00 H new ATOM 0 HB3 ASP A 20 2.257 1.618 -23.538 1.00 0.00 H new ATOM 307 N GLY A 21 1.475 2.748 -19.725 1.00 0.00 N ATOM 308 CA GLY A 21 0.392 3.462 -19.073 1.00 0.00 C ATOM 309 C GLY A 21 0.757 3.645 -17.604 1.00 0.00 C ATOM 310 O GLY A 21 1.658 2.967 -17.110 1.00 0.00 O ATOM 0 H GLY A 21 2.112 2.309 -19.060 1.00 0.00 H new ATOM 0 HA2 GLY A 21 0.234 4.430 -19.549 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -0.540 2.905 -19.166 1.00 0.00 H new ATOM 314 N ALA A 22 0.078 4.565 -16.916 1.00 0.00 N ATOM 315 CA ALA A 22 0.338 4.861 -15.514 1.00 0.00 C ATOM 316 C ALA A 22 -0.363 3.842 -14.613 1.00 0.00 C ATOM 317 O ALA A 22 -1.593 3.816 -14.558 1.00 0.00 O ATOM 318 CB ALA A 22 -0.091 6.298 -15.205 1.00 0.00 C ATOM 0 H ALA A 22 -0.671 5.126 -17.322 1.00 0.00 H new ATOM 0 HA ALA A 22 1.406 4.780 -15.313 1.00 0.00 H new ATOM 0 HB1 ALA A 22 0.104 6.518 -14.155 1.00 0.00 H new ATOM 0 HB2 ALA A 22 0.473 6.989 -15.832 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -1.156 6.411 -15.408 1.00 0.00 H new ATOM 324 N ILE A 23 0.417 3.002 -13.923 1.00 0.00 N ATOM 325 CA ILE A 23 -0.057 1.960 -13.028 1.00 0.00 C ATOM 326 C ILE A 23 0.442 2.205 -11.601 1.00 0.00 C ATOM 327 O ILE A 23 1.639 2.095 -11.335 1.00 0.00 O ATOM 328 CB ILE A 23 0.376 0.574 -13.537 1.00 0.00 C ATOM 329 CG1 ILE A 23 -0.005 0.401 -15.020 1.00 0.00 C ATOM 330 CG2 ILE A 23 -0.244 -0.516 -12.648 1.00 0.00 C ATOM 331 CD1 ILE A 23 -0.063 -1.056 -15.474 1.00 0.00 C ATOM 0 H ILE A 23 1.435 3.038 -13.981 1.00 0.00 H new ATOM 0 HA ILE A 23 -1.147 1.988 -13.011 1.00 0.00 H new ATOM 0 HB ILE A 23 1.460 0.482 -13.475 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -0.976 0.865 -15.193 1.00 0.00 H new ATOM 0 HG13 ILE A 23 0.718 0.936 -15.636 1.00 0.00 H new ATOM 0 HG21 ILE A 23 0.063 -1.498 -13.009 1.00 0.00 H new ATOM 0 HG22 ILE A 23 0.096 -0.384 -11.621 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -1.331 -0.440 -12.683 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -0.337 -1.098 -16.528 1.00 0.00 H new ATOM 0 HD12 ILE A 23 0.913 -1.520 -15.334 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -0.807 -1.592 -14.884 1.00 0.00 H new ATOM 343 N LEU A 24 -0.475 2.485 -10.668 1.00 0.00 N ATOM 344 CA LEU A 24 -0.153 2.614 -9.253 1.00 0.00 C ATOM 345 C LEU A 24 -0.138 1.202 -8.670 1.00 0.00 C ATOM 346 O LEU A 24 -1.192 0.665 -8.332 1.00 0.00 O ATOM 347 CB LEU A 24 -1.176 3.513 -8.542 1.00 0.00 C ATOM 348 CG LEU A 24 -0.838 3.728 -7.054 1.00 0.00 C ATOM 349 CD1 LEU A 24 0.306 4.738 -6.885 1.00 0.00 C ATOM 350 CD2 LEU A 24 -2.081 4.201 -6.295 1.00 0.00 C ATOM 0 H LEU A 24 -1.463 2.628 -10.880 1.00 0.00 H new ATOM 0 HA LEU A 24 0.819 3.088 -9.113 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -1.218 4.479 -9.045 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -2.167 3.067 -8.626 1.00 0.00 H new ATOM 0 HG LEU A 24 -0.509 2.775 -6.639 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.522 4.869 -5.825 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.196 4.368 -7.394 1.00 0.00 H new ATOM 0 HD13 LEU A 24 0.013 5.695 -7.317 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -1.831 4.350 -5.245 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -2.432 5.141 -6.721 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -2.866 3.449 -6.378 1.00 0.00 H new ATOM 362 N VAL A 25 1.046 0.598 -8.567 1.00 0.00 N ATOM 363 CA VAL A 25 1.212 -0.748 -8.037 1.00 0.00 C ATOM 364 C VAL A 25 1.340 -0.688 -6.518 1.00 0.00 C ATOM 365 O VAL A 25 2.323 -0.160 -6.005 1.00 0.00 O ATOM 366 CB VAL A 25 2.440 -1.438 -8.651 1.00 0.00 C ATOM 367 CG1 VAL A 25 2.541 -2.874 -8.123 1.00 0.00 C ATOM 368 CG2 VAL A 25 2.366 -1.491 -10.179 1.00 0.00 C ATOM 0 H VAL A 25 1.922 1.036 -8.852 1.00 0.00 H new ATOM 0 HA VAL A 25 0.333 -1.336 -8.302 1.00 0.00 H new ATOM 0 HB VAL A 25 3.315 -0.854 -8.366 1.00 0.00 H new ATOM 0 HG11 VAL A 25 3.413 -3.362 -8.560 1.00 0.00 H new ATOM 0 HG12 VAL A 25 2.641 -2.856 -7.038 1.00 0.00 H new ATOM 0 HG13 VAL A 25 1.642 -3.426 -8.396 1.00 0.00 H new ATOM 0 HG21 VAL A 25 3.255 -1.987 -10.569 1.00 0.00 H new ATOM 0 HG22 VAL A 25 1.478 -2.046 -10.481 1.00 0.00 H new ATOM 0 HG23 VAL A 25 2.312 -0.477 -10.576 1.00 0.00 H new ATOM 378 N ASP A 26 0.372 -1.255 -5.800 1.00 0.00 N ATOM 379 CA ASP A 26 0.366 -1.341 -4.351 1.00 0.00 C ATOM 380 C ASP A 26 0.863 -2.726 -3.946 1.00 0.00 C ATOM 381 O ASP A 26 0.111 -3.693 -4.048 1.00 0.00 O ATOM 382 CB ASP A 26 -1.058 -1.103 -3.825 1.00 0.00 C ATOM 383 CG ASP A 26 -1.198 -1.516 -2.366 1.00 0.00 C ATOM 384 OD1 ASP A 26 -2.214 -2.079 -1.967 1.00 0.00 O ATOM 385 OD2 ASP A 26 -0.156 -1.262 -1.533 1.00 0.00 O ATOM 0 H ASP A 26 -0.451 -1.678 -6.228 1.00 0.00 H new ATOM 0 HA ASP A 26 1.020 -0.581 -3.923 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -1.313 -0.048 -3.930 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -1.768 -1.665 -4.432 1.00 0.00 H new ATOM 391 N PHE A 27 2.093 -2.831 -3.451 1.00 0.00 N ATOM 392 CA PHE A 27 2.612 -4.088 -2.928 1.00 0.00 C ATOM 393 C PHE A 27 2.019 -4.197 -1.522 1.00 0.00 C ATOM 394 O PHE A 27 2.219 -3.273 -0.732 1.00 0.00 O ATOM 395 CB PHE A 27 4.146 -4.085 -2.893 1.00 0.00 C ATOM 396 CG PHE A 27 4.856 -4.118 -4.240 1.00 0.00 C ATOM 397 CD1 PHE A 27 4.719 -3.055 -5.152 1.00 0.00 C ATOM 398 CD2 PHE A 27 5.761 -5.160 -4.530 1.00 0.00 C ATOM 399 CE1 PHE A 27 5.432 -3.061 -6.364 1.00 0.00 C ATOM 400 CE2 PHE A 27 6.521 -5.130 -5.712 1.00 0.00 C ATOM 401 CZ PHE A 27 6.348 -4.090 -6.638 1.00 0.00 C ATOM 0 H PHE A 27 2.752 -2.054 -3.402 1.00 0.00 H new ATOM 0 HA PHE A 27 2.338 -4.938 -3.553 1.00 0.00 H new ATOM 0 HB2 PHE A 27 4.473 -3.194 -2.356 1.00 0.00 H new ATOM 0 HB3 PHE A 27 4.476 -4.946 -2.312 1.00 0.00 H new ATOM 0 HD1 PHE A 27 4.062 -2.230 -4.920 1.00 0.00 H new ATOM 0 HD2 PHE A 27 5.871 -5.984 -3.841 1.00 0.00 H new ATOM 0 HE1 PHE A 27 5.275 -2.273 -7.086 1.00 0.00 H new ATOM 0 HE2 PHE A 27 7.241 -5.911 -5.908 1.00 0.00 H new ATOM 0 HZ PHE A 27 6.916 -4.081 -7.556 1.00 0.00 H new ATOM 411 N TRP A 28 1.266 -5.265 -1.226 1.00 0.00 N ATOM 412 CA TRP A 28 0.558 -5.444 0.040 1.00 0.00 C ATOM 413 C TRP A 28 0.710 -6.848 0.626 1.00 0.00 C ATOM 414 O TRP A 28 1.193 -7.763 -0.040 1.00 0.00 O ATOM 415 CB TRP A 28 -0.936 -5.147 -0.174 1.00 0.00 C ATOM 416 CG TRP A 28 -1.692 -6.109 -1.041 1.00 0.00 C ATOM 417 CD1 TRP A 28 -1.670 -6.131 -2.388 1.00 0.00 C ATOM 418 CD2 TRP A 28 -2.612 -7.170 -0.649 1.00 0.00 C ATOM 419 NE1 TRP A 28 -2.470 -7.150 -2.858 1.00 0.00 N ATOM 420 CE2 TRP A 28 -3.090 -7.817 -1.826 1.00 0.00 C ATOM 421 CE3 TRP A 28 -3.117 -7.633 0.584 1.00 0.00 C ATOM 422 CZ2 TRP A 28 -4.006 -8.878 -1.785 1.00 0.00 C ATOM 423 CZ3 TRP A 28 -4.048 -8.689 0.636 1.00 0.00 C ATOM 424 CH2 TRP A 28 -4.489 -9.314 -0.542 1.00 0.00 C ATOM 0 H TRP A 28 1.132 -6.041 -1.875 1.00 0.00 H new ATOM 0 HA TRP A 28 1.003 -4.752 0.755 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -1.420 -5.114 0.802 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -1.027 -4.152 -0.609 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -1.107 -5.449 -3.009 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -2.588 -7.380 -3.845 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -2.785 -7.171 1.502 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -4.335 -9.353 -2.697 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -4.426 -9.021 1.591 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -5.198 -10.127 -0.491 1.00 0.00 H new ATOM 435 N ALA A 29 0.252 -6.999 1.873 1.00 0.00 N ATOM 436 CA ALA A 29 0.229 -8.241 2.623 1.00 0.00 C ATOM 437 C ALA A 29 -1.023 -8.227 3.500 1.00 0.00 C ATOM 438 O ALA A 29 -1.223 -7.272 4.248 1.00 0.00 O ATOM 439 CB ALA A 29 1.480 -8.350 3.497 1.00 0.00 C ATOM 0 H ALA A 29 -0.129 -6.216 2.404 1.00 0.00 H new ATOM 0 HA ALA A 29 0.213 -9.096 1.947 1.00 0.00 H new ATOM 0 HB1 ALA A 29 1.453 -9.285 4.056 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.368 -8.330 2.865 1.00 0.00 H new ATOM 0 HB3 ALA A 29 1.511 -7.512 4.194 1.00 0.00 H new ATOM 445 N GLU A 30 -1.868 -9.255 3.401 1.00 0.00 N ATOM 446 CA GLU A 30 -3.132 -9.358 4.127 1.00 0.00 C ATOM 447 C GLU A 30 -3.022 -9.018 5.617 1.00 0.00 C ATOM 448 O GLU A 30 -3.855 -8.290 6.150 1.00 0.00 O ATOM 449 CB GLU A 30 -3.795 -10.728 3.880 1.00 0.00 C ATOM 450 CG GLU A 30 -3.000 -11.976 4.310 1.00 0.00 C ATOM 451 CD GLU A 30 -1.755 -12.271 3.473 1.00 0.00 C ATOM 452 OE1 GLU A 30 -1.711 -11.803 2.313 1.00 0.00 O ATOM 453 OE2 GLU A 30 -0.862 -12.957 4.013 1.00 0.00 O ATOM 0 H GLU A 30 -1.686 -10.058 2.799 1.00 0.00 H new ATOM 0 HA GLU A 30 -3.787 -8.588 3.719 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -4.753 -10.740 4.401 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -4.010 -10.813 2.815 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -2.699 -11.856 5.351 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -3.661 -12.842 4.267 1.00 0.00 H new ATOM 460 N TRP A 31 -2.001 -9.546 6.289 1.00 0.00 N ATOM 461 CA TRP A 31 -1.786 -9.318 7.712 1.00 0.00 C ATOM 462 C TRP A 31 -1.382 -7.871 8.015 1.00 0.00 C ATOM 463 O TRP A 31 -1.574 -7.391 9.133 1.00 0.00 O ATOM 464 CB TRP A 31 -0.731 -10.307 8.228 1.00 0.00 C ATOM 465 CG TRP A 31 0.547 -10.361 7.444 1.00 0.00 C ATOM 466 CD1 TRP A 31 0.840 -11.279 6.498 1.00 0.00 C ATOM 467 CD2 TRP A 31 1.700 -9.464 7.498 1.00 0.00 C ATOM 468 NE1 TRP A 31 2.070 -10.999 5.943 1.00 0.00 N ATOM 469 CE2 TRP A 31 2.644 -9.881 6.512 1.00 0.00 C ATOM 470 CE3 TRP A 31 2.044 -8.334 8.272 1.00 0.00 C ATOM 471 CZ2 TRP A 31 3.847 -9.198 6.283 1.00 0.00 C ATOM 472 CZ3 TRP A 31 3.256 -7.650 8.064 1.00 0.00 C ATOM 473 CH2 TRP A 31 4.153 -8.076 7.070 1.00 0.00 C ATOM 0 H TRP A 31 -1.298 -10.146 5.858 1.00 0.00 H new ATOM 0 HA TRP A 31 -2.729 -9.487 8.232 1.00 0.00 H new ATOM 0 HB2 TRP A 31 -0.492 -10.050 9.260 1.00 0.00 H new ATOM 0 HB3 TRP A 31 -1.170 -11.305 8.241 1.00 0.00 H new ATOM 0 HD1 TRP A 31 0.206 -12.108 6.219 1.00 0.00 H new ATOM 0 HE1 TRP A 31 2.503 -11.551 5.202 1.00 0.00 H new ATOM 0 HE3 TRP A 31 1.365 -7.989 9.037 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 4.528 -9.530 5.513 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 3.498 -6.791 8.673 1.00 0.00 H new ATOM 0 HH2 TRP A 31 5.077 -7.541 6.911 1.00 0.00 H new ATOM 484 N CYS A 32 -0.816 -7.154 7.040 1.00 0.00 N ATOM 485 CA CYS A 32 -0.348 -5.795 7.253 1.00 0.00 C ATOM 486 C CYS A 32 -1.505 -4.802 7.203 1.00 0.00 C ATOM 487 O CYS A 32 -1.639 -4.058 6.230 1.00 0.00 O ATOM 488 CB CYS A 32 0.749 -5.452 6.251 1.00 0.00 C ATOM 489 SG CYS A 32 1.375 -3.802 6.641 1.00 0.00 S ATOM 0 H CYS A 32 -0.673 -7.501 6.092 1.00 0.00 H new ATOM 0 HA CYS A 32 0.083 -5.724 8.252 1.00 0.00 H new ATOM 0 HB2 CYS A 32 1.554 -6.186 6.302 1.00 0.00 H new ATOM 0 HB3 CYS A 32 0.357 -5.479 5.234 1.00 0.00 H new ATOM 0 HG CYS A 32 2.258 -3.452 5.753 1.00 0.00 H new ATOM 495 N GLY A 33 -2.311 -4.795 8.271 1.00 0.00 N ATOM 496 CA GLY A 33 -3.477 -3.947 8.527 1.00 0.00 C ATOM 497 C GLY A 33 -3.643 -2.737 7.597 1.00 0.00 C ATOM 498 O GLY A 33 -4.607 -2.705 6.832 1.00 0.00 O ATOM 0 H GLY A 33 -2.148 -5.440 9.045 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -4.373 -4.563 8.453 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -3.421 -3.586 9.554 1.00 0.00 H new ATOM 502 N PRO A 34 -2.737 -1.741 7.638 1.00 0.00 N ATOM 503 CA PRO A 34 -2.778 -0.557 6.785 1.00 0.00 C ATOM 504 C PRO A 34 -3.160 -0.827 5.324 1.00 0.00 C ATOM 505 O PRO A 34 -3.884 -0.037 4.724 1.00 0.00 O ATOM 506 CB PRO A 34 -1.395 0.080 6.918 1.00 0.00 C ATOM 507 CG PRO A 34 -1.012 -0.267 8.357 1.00 0.00 C ATOM 508 CD PRO A 34 -1.587 -1.674 8.530 1.00 0.00 C ATOM 0 HA PRO A 34 -3.576 0.109 7.113 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -0.687 -0.331 6.199 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -1.426 1.157 6.754 1.00 0.00 H new ATOM 0 HG2 PRO A 34 0.068 -0.250 8.503 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -1.441 0.436 9.071 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -0.848 -2.433 8.274 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -1.882 -1.852 9.564 1.00 0.00 H new ATOM 516 N CYS A 35 -2.715 -1.951 4.757 1.00 0.00 N ATOM 517 CA CYS A 35 -3.058 -2.355 3.396 1.00 0.00 C ATOM 518 C CYS A 35 -4.578 -2.424 3.238 1.00 0.00 C ATOM 519 O CYS A 35 -5.150 -1.873 2.296 1.00 0.00 O ATOM 520 CB CYS A 35 -2.464 -3.729 3.062 1.00 0.00 C ATOM 521 SG CYS A 35 -0.656 -3.674 3.032 1.00 0.00 S ATOM 0 H CYS A 35 -2.101 -2.610 5.236 1.00 0.00 H new ATOM 0 HA CYS A 35 -2.643 -1.613 2.714 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -2.795 -4.460 3.800 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -2.836 -4.063 2.093 1.00 0.00 H new ATOM 0 HG CYS A 35 -0.256 -3.182 1.897 1.00 0.00 H new ATOM 527 N LYS A 36 -5.237 -3.083 4.194 1.00 0.00 N ATOM 528 CA LYS A 36 -6.682 -3.228 4.219 1.00 0.00 C ATOM 529 C LYS A 36 -7.325 -1.855 4.398 1.00 0.00 C ATOM 530 O LYS A 36 -8.352 -1.576 3.788 1.00 0.00 O ATOM 531 CB LYS A 36 -7.110 -4.187 5.336 1.00 0.00 C ATOM 532 CG LYS A 36 -6.508 -5.591 5.165 1.00 0.00 C ATOM 533 CD LYS A 36 -6.772 -6.486 6.383 1.00 0.00 C ATOM 534 CE LYS A 36 -8.266 -6.720 6.639 1.00 0.00 C ATOM 535 NZ LYS A 36 -8.475 -7.690 7.727 1.00 0.00 N ATOM 0 H LYS A 36 -4.769 -3.535 4.980 1.00 0.00 H new ATOM 0 HA LYS A 36 -7.018 -3.654 3.274 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -6.804 -3.778 6.299 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -8.197 -4.260 5.352 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -6.928 -6.059 4.275 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -5.433 -5.507 5.004 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -6.279 -7.447 6.235 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -6.324 -6.030 7.266 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -8.746 -5.775 6.894 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -8.741 -7.084 5.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -9.495 -7.828 7.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -8.036 -8.598 7.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -8.042 -7.330 8.601 1.00 0.00 H new ATOM 549 N MET A 37 -6.719 -0.989 5.217 1.00 0.00 N ATOM 550 CA MET A 37 -7.242 0.354 5.429 1.00 0.00 C ATOM 551 C MET A 37 -7.195 1.173 4.135 1.00 0.00 C ATOM 552 O MET A 37 -8.165 1.857 3.816 1.00 0.00 O ATOM 553 CB MET A 37 -6.535 1.056 6.596 1.00 0.00 C ATOM 554 CG MET A 37 -6.704 0.277 7.908 1.00 0.00 C ATOM 555 SD MET A 37 -6.456 1.233 9.430 1.00 0.00 S ATOM 556 CE MET A 37 -4.714 1.682 9.297 1.00 0.00 C ATOM 0 H MET A 37 -5.869 -1.198 5.740 1.00 0.00 H new ATOM 0 HA MET A 37 -8.291 0.267 5.712 1.00 0.00 H new ATOM 0 HB2 MET A 37 -5.474 1.162 6.369 1.00 0.00 H new ATOM 0 HB3 MET A 37 -6.938 2.062 6.715 1.00 0.00 H new ATOM 0 HG2 MET A 37 -7.707 -0.150 7.929 1.00 0.00 H new ATOM 0 HG3 MET A 37 -6.002 -0.557 7.907 1.00 0.00 H new ATOM 0 HE1 MET A 37 -4.432 2.302 10.148 1.00 0.00 H new ATOM 0 HE2 MET A 37 -4.105 0.778 9.289 1.00 0.00 H new ATOM 0 HE3 MET A 37 -4.551 2.237 8.373 1.00 0.00 H new ATOM 566 N ILE A 38 -6.092 1.117 3.377 1.00 0.00 N ATOM 567 CA ILE A 38 -6.009 1.868 2.125 1.00 0.00 C ATOM 568 C ILE A 38 -6.807 1.211 0.993 1.00 0.00 C ATOM 569 O ILE A 38 -7.229 1.917 0.085 1.00 0.00 O ATOM 570 CB ILE A 38 -4.569 2.206 1.702 1.00 0.00 C ATOM 571 CG1 ILE A 38 -3.751 0.965 1.322 1.00 0.00 C ATOM 572 CG2 ILE A 38 -3.867 3.035 2.785 1.00 0.00 C ATOM 573 CD1 ILE A 38 -2.464 1.335 0.582 1.00 0.00 C ATOM 0 H ILE A 38 -5.262 0.570 3.605 1.00 0.00 H new ATOM 0 HA ILE A 38 -6.485 2.826 2.334 1.00 0.00 H new ATOM 0 HB ILE A 38 -4.637 2.809 0.796 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -3.503 0.404 2.223 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -4.355 0.310 0.694 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -2.850 3.263 2.466 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -4.415 3.964 2.944 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -3.837 2.468 3.715 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -1.915 0.428 0.331 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -2.712 1.873 -0.333 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -1.847 1.968 1.219 1.00 0.00 H new ATOM 585 N ALA A 39 -7.016 -0.113 1.015 1.00 0.00 N ATOM 586 CA ALA A 39 -7.774 -0.829 -0.016 1.00 0.00 C ATOM 587 C ALA A 39 -9.006 -0.062 -0.545 1.00 0.00 C ATOM 588 O ALA A 39 -9.056 0.211 -1.744 1.00 0.00 O ATOM 589 CB ALA A 39 -8.116 -2.249 0.447 1.00 0.00 C ATOM 0 H ALA A 39 -6.661 -0.719 1.754 1.00 0.00 H new ATOM 0 HA ALA A 39 -7.116 -0.905 -0.882 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -8.678 -2.761 -0.334 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -7.196 -2.797 0.650 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -8.717 -2.201 1.355 1.00 0.00 H new ATOM 595 N PRO A 40 -9.996 0.321 0.284 1.00 0.00 N ATOM 596 CA PRO A 40 -11.147 1.082 -0.188 1.00 0.00 C ATOM 597 C PRO A 40 -10.722 2.391 -0.860 1.00 0.00 C ATOM 598 O PRO A 40 -11.274 2.751 -1.896 1.00 0.00 O ATOM 599 CB PRO A 40 -12.038 1.321 1.033 1.00 0.00 C ATOM 600 CG PRO A 40 -11.087 1.153 2.215 1.00 0.00 C ATOM 601 CD PRO A 40 -10.108 0.094 1.713 1.00 0.00 C ATOM 0 HA PRO A 40 -11.692 0.532 -0.956 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -12.483 2.316 1.015 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -12.859 0.606 1.075 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -10.581 2.086 2.463 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -11.611 0.826 3.113 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -9.139 0.190 2.203 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -10.474 -0.911 1.924 1.00 0.00 H new ATOM 609 N ILE A 41 -9.716 3.084 -0.317 1.00 0.00 N ATOM 610 CA ILE A 41 -9.207 4.312 -0.915 1.00 0.00 C ATOM 611 C ILE A 41 -8.717 3.983 -2.328 1.00 0.00 C ATOM 612 O ILE A 41 -9.113 4.633 -3.290 1.00 0.00 O ATOM 613 CB ILE A 41 -8.097 4.964 -0.063 1.00 0.00 C ATOM 614 CG1 ILE A 41 -8.493 5.046 1.423 1.00 0.00 C ATOM 615 CG2 ILE A 41 -7.804 6.369 -0.614 1.00 0.00 C ATOM 616 CD1 ILE A 41 -7.400 5.696 2.276 1.00 0.00 C ATOM 0 H ILE A 41 -9.239 2.809 0.541 1.00 0.00 H new ATOM 0 HA ILE A 41 -10.008 5.050 -0.961 1.00 0.00 H new ATOM 0 HB ILE A 41 -7.203 4.344 -0.125 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -9.416 5.617 1.521 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -8.697 4.044 1.799 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -7.021 6.837 -0.018 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -7.475 6.292 -1.650 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -8.709 6.975 -0.565 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -7.724 5.732 3.316 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -6.484 5.110 2.201 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -7.214 6.709 1.919 1.00 0.00 H new ATOM 628 N LEU A 42 -7.882 2.949 -2.462 1.00 0.00 N ATOM 629 CA LEU A 42 -7.376 2.507 -3.755 1.00 0.00 C ATOM 630 C LEU A 42 -8.537 2.190 -4.704 1.00 0.00 C ATOM 631 O LEU A 42 -8.491 2.587 -5.865 1.00 0.00 O ATOM 632 CB LEU A 42 -6.413 1.323 -3.590 1.00 0.00 C ATOM 633 CG LEU A 42 -5.059 1.715 -2.973 1.00 0.00 C ATOM 634 CD1 LEU A 42 -4.333 0.445 -2.524 1.00 0.00 C ATOM 635 CD2 LEU A 42 -4.165 2.457 -3.974 1.00 0.00 C ATOM 0 H LEU A 42 -7.541 2.398 -1.675 1.00 0.00 H new ATOM 0 HA LEU A 42 -6.803 3.317 -4.206 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -6.884 0.566 -2.962 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -6.241 0.866 -4.565 1.00 0.00 H new ATOM 0 HG LEU A 42 -5.255 2.380 -2.132 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -3.372 0.711 -2.085 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -4.938 -0.077 -1.783 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -4.171 -0.205 -3.384 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -3.220 2.715 -3.496 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -3.974 1.817 -4.835 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -4.665 3.368 -4.303 1.00 0.00 H new ATOM 647 N ASP A 43 -9.582 1.505 -4.230 1.00 0.00 N ATOM 648 CA ASP A 43 -10.751 1.204 -5.057 1.00 0.00 C ATOM 649 C ASP A 43 -11.387 2.511 -5.548 1.00 0.00 C ATOM 650 O ASP A 43 -11.658 2.679 -6.737 1.00 0.00 O ATOM 651 CB ASP A 43 -11.794 0.375 -4.288 1.00 0.00 C ATOM 652 CG ASP A 43 -11.353 -1.034 -3.897 1.00 0.00 C ATOM 653 OD1 ASP A 43 -10.143 -1.330 -3.990 1.00 0.00 O ATOM 654 OD2 ASP A 43 -12.254 -1.802 -3.496 1.00 0.00 O ATOM 0 H ASP A 43 -9.641 1.149 -3.276 1.00 0.00 H new ATOM 0 HA ASP A 43 -10.416 0.611 -5.908 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -12.067 0.916 -3.382 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -12.694 0.299 -4.898 1.00 0.00 H new ATOM 659 N GLU A 44 -11.617 3.450 -4.625 1.00 0.00 N ATOM 660 CA GLU A 44 -12.206 4.745 -4.945 1.00 0.00 C ATOM 661 C GLU A 44 -11.363 5.442 -6.013 1.00 0.00 C ATOM 662 O GLU A 44 -11.895 5.884 -7.026 1.00 0.00 O ATOM 663 CB GLU A 44 -12.342 5.602 -3.683 1.00 0.00 C ATOM 664 CG GLU A 44 -13.363 5.017 -2.696 1.00 0.00 C ATOM 665 CD GLU A 44 -13.118 5.496 -1.267 1.00 0.00 C ATOM 666 OE1 GLU A 44 -12.803 6.697 -1.114 1.00 0.00 O ATOM 667 OE2 GLU A 44 -13.250 4.658 -0.350 1.00 0.00 O ATOM 0 H GLU A 44 -11.398 3.329 -3.636 1.00 0.00 H new ATOM 0 HA GLU A 44 -13.209 4.597 -5.344 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -11.371 5.684 -3.194 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -12.645 6.611 -3.961 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -14.369 5.300 -3.005 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -13.314 3.929 -2.727 1.00 0.00 H new ATOM 674 N ILE A 45 -10.047 5.511 -5.805 1.00 0.00 N ATOM 675 CA ILE A 45 -9.118 6.095 -6.762 1.00 0.00 C ATOM 676 C ILE A 45 -9.264 5.395 -8.117 1.00 0.00 C ATOM 677 O ILE A 45 -9.401 6.062 -9.141 1.00 0.00 O ATOM 678 CB ILE A 45 -7.681 6.005 -6.219 1.00 0.00 C ATOM 679 CG1 ILE A 45 -7.457 6.895 -4.982 1.00 0.00 C ATOM 680 CG2 ILE A 45 -6.628 6.302 -7.293 1.00 0.00 C ATOM 681 CD1 ILE A 45 -7.536 8.405 -5.220 1.00 0.00 C ATOM 0 H ILE A 45 -9.597 5.159 -4.960 1.00 0.00 H new ATOM 0 HA ILE A 45 -9.349 7.150 -6.907 1.00 0.00 H new ATOM 0 HB ILE A 45 -7.554 4.969 -5.906 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -8.196 6.627 -4.227 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -6.477 6.664 -4.565 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -5.632 6.225 -6.857 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -6.725 5.583 -8.106 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -6.778 7.310 -7.680 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -7.363 8.931 -4.281 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -6.778 8.699 -5.946 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -8.524 8.662 -5.603 1.00 0.00 H new ATOM 693 N ALA A 46 -9.234 4.059 -8.128 1.00 0.00 N ATOM 694 CA ALA A 46 -9.359 3.267 -9.343 1.00 0.00 C ATOM 695 C ALA A 46 -10.595 3.696 -10.130 1.00 0.00 C ATOM 696 O ALA A 46 -10.523 3.902 -11.339 1.00 0.00 O ATOM 697 CB ALA A 46 -9.395 1.775 -9.007 1.00 0.00 C ATOM 0 H ALA A 46 -9.121 3.498 -7.284 1.00 0.00 H new ATOM 0 HA ALA A 46 -8.486 3.442 -9.972 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -9.489 1.197 -9.926 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -8.474 1.495 -8.495 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -10.248 1.568 -8.360 1.00 0.00 H new ATOM 703 N ASP A 47 -11.727 3.856 -9.439 1.00 0.00 N ATOM 704 CA ASP A 47 -12.947 4.317 -10.077 1.00 0.00 C ATOM 705 C ASP A 47 -12.793 5.766 -10.562 1.00 0.00 C ATOM 706 O ASP A 47 -12.968 6.046 -11.747 1.00 0.00 O ATOM 707 CB ASP A 47 -14.128 4.172 -9.115 1.00 0.00 C ATOM 708 CG ASP A 47 -15.418 4.635 -9.784 1.00 0.00 C ATOM 709 OD1 ASP A 47 -15.923 3.867 -10.632 1.00 0.00 O ATOM 710 OD2 ASP A 47 -15.862 5.753 -9.450 1.00 0.00 O ATOM 0 H ASP A 47 -11.816 3.672 -8.440 1.00 0.00 H new ATOM 0 HA ASP A 47 -13.143 3.699 -10.953 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -14.226 3.132 -8.803 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -13.946 4.759 -8.215 1.00 0.00 H new ATOM 715 N GLU A 48 -12.482 6.689 -9.650 1.00 0.00 N ATOM 716 CA GLU A 48 -12.343 8.114 -9.930 1.00 0.00 C ATOM 717 C GLU A 48 -11.469 8.394 -11.155 1.00 0.00 C ATOM 718 O GLU A 48 -11.850 9.179 -12.021 1.00 0.00 O ATOM 719 CB GLU A 48 -11.759 8.826 -8.706 1.00 0.00 C ATOM 720 CG GLU A 48 -12.762 8.938 -7.550 1.00 0.00 C ATOM 721 CD GLU A 48 -12.093 9.422 -6.268 1.00 0.00 C ATOM 722 OE1 GLU A 48 -11.125 10.210 -6.377 1.00 0.00 O ATOM 723 OE2 GLU A 48 -12.565 8.994 -5.195 1.00 0.00 O ATOM 0 H GLU A 48 -12.316 6.457 -8.671 1.00 0.00 H new ATOM 0 HA GLU A 48 -13.339 8.496 -10.152 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -10.876 8.286 -8.364 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -11.430 9.825 -8.994 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -13.560 9.627 -7.826 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -13.225 7.967 -7.375 1.00 0.00 H new ATOM 730 N TYR A 49 -10.288 7.776 -11.213 1.00 0.00 N ATOM 731 CA TYR A 49 -9.329 7.987 -12.288 1.00 0.00 C ATOM 732 C TYR A 49 -9.415 6.887 -13.354 1.00 0.00 C ATOM 733 O TYR A 49 -8.447 6.690 -14.090 1.00 0.00 O ATOM 734 CB TYR A 49 -7.909 8.078 -11.703 1.00 0.00 C ATOM 735 CG TYR A 49 -7.626 9.247 -10.772 1.00 0.00 C ATOM 736 CD1 TYR A 49 -8.089 9.217 -9.445 1.00 0.00 C ATOM 737 CD2 TYR A 49 -6.765 10.287 -11.179 1.00 0.00 C ATOM 738 CE1 TYR A 49 -7.725 10.225 -8.542 1.00 0.00 C ATOM 739 CE2 TYR A 49 -6.370 11.280 -10.262 1.00 0.00 C ATOM 740 CZ TYR A 49 -6.857 11.250 -8.943 1.00 0.00 C ATOM 741 OH TYR A 49 -6.498 12.210 -8.044 1.00 0.00 O ATOM 0 H TYR A 49 -9.972 7.111 -10.508 1.00 0.00 H new ATOM 0 HA TYR A 49 -9.573 8.927 -12.784 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -7.705 7.155 -11.161 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -7.202 8.124 -12.532 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -8.730 8.411 -9.119 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -6.407 10.322 -12.197 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -8.114 10.212 -7.535 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -5.694 12.064 -10.571 1.00 0.00 H new ATOM 0 HH TYR A 49 -5.892 12.849 -8.473 1.00 0.00 H new ATOM 751 N GLN A 50 -10.538 6.165 -13.471 1.00 0.00 N ATOM 752 CA GLN A 50 -10.658 5.105 -14.463 1.00 0.00 C ATOM 753 C GLN A 50 -10.302 5.624 -15.861 1.00 0.00 C ATOM 754 O GLN A 50 -10.797 6.664 -16.288 1.00 0.00 O ATOM 755 CB GLN A 50 -12.053 4.468 -14.403 1.00 0.00 C ATOM 756 CG GLN A 50 -13.188 5.389 -14.878 1.00 0.00 C ATOM 757 CD GLN A 50 -14.548 4.781 -14.551 1.00 0.00 C ATOM 758 OE1 GLN A 50 -15.195 4.180 -15.402 1.00 0.00 O ATOM 759 NE2 GLN A 50 -14.982 4.922 -13.305 1.00 0.00 N ATOM 0 H GLN A 50 -11.367 6.299 -12.892 1.00 0.00 H new ATOM 0 HA GLN A 50 -9.940 4.318 -14.231 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -12.054 3.565 -15.013 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -12.256 4.160 -13.377 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -13.096 6.364 -14.400 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -13.106 5.551 -15.953 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -14.418 5.428 -12.623 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -15.880 4.524 -13.030 1.00 0.00 H new ATOM 768 N GLY A 51 -9.398 4.929 -16.560 1.00 0.00 N ATOM 769 CA GLY A 51 -8.947 5.328 -17.887 1.00 0.00 C ATOM 770 C GLY A 51 -7.836 6.383 -17.861 1.00 0.00 C ATOM 771 O GLY A 51 -7.147 6.556 -18.863 1.00 0.00 O ATOM 0 H GLY A 51 -8.961 4.074 -16.216 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -8.589 4.448 -18.421 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -9.796 5.719 -18.449 1.00 0.00 H new ATOM 775 N LYS A 52 -7.641 7.076 -16.734 1.00 0.00 N ATOM 776 CA LYS A 52 -6.617 8.100 -16.568 1.00 0.00 C ATOM 777 C LYS A 52 -5.417 7.493 -15.840 1.00 0.00 C ATOM 778 O LYS A 52 -4.270 7.731 -16.210 1.00 0.00 O ATOM 779 CB LYS A 52 -7.185 9.283 -15.766 1.00 0.00 C ATOM 780 CG LYS A 52 -8.526 9.787 -16.318 1.00 0.00 C ATOM 781 CD LYS A 52 -9.007 10.987 -15.497 1.00 0.00 C ATOM 782 CE LYS A 52 -10.406 11.418 -15.950 1.00 0.00 C ATOM 783 NZ LYS A 52 -10.905 12.546 -15.145 1.00 0.00 N ATOM 0 H LYS A 52 -8.206 6.934 -15.897 1.00 0.00 H new ATOM 0 HA LYS A 52 -6.300 8.465 -17.545 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -7.315 8.982 -14.726 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -6.464 10.100 -15.773 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -8.415 10.072 -17.364 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -9.268 8.989 -16.282 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -9.024 10.728 -14.438 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -8.309 11.817 -15.611 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -10.378 11.703 -17.002 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -11.093 10.576 -15.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -11.854 12.815 -15.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -10.953 12.264 -14.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -10.261 13.356 -15.246 1.00 0.00 H new ATOM 797 N LEU A 53 -5.694 6.698 -14.803 1.00 0.00 N ATOM 798 CA LEU A 53 -4.714 6.007 -13.988 1.00 0.00 C ATOM 799 C LEU A 53 -5.225 4.590 -13.771 1.00 0.00 C ATOM 800 O LEU A 53 -6.402 4.399 -13.473 1.00 0.00 O ATOM 801 CB LEU A 53 -4.602 6.722 -12.634 1.00 0.00 C ATOM 802 CG LEU A 53 -3.671 6.052 -11.616 1.00 0.00 C ATOM 803 CD1 LEU A 53 -2.195 6.282 -11.953 1.00 0.00 C ATOM 804 CD2 LEU A 53 -3.988 6.610 -10.229 1.00 0.00 C ATOM 0 H LEU A 53 -6.652 6.516 -14.503 1.00 0.00 H new ATOM 0 HA LEU A 53 -3.736 5.995 -14.470 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -4.253 7.740 -12.807 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -5.598 6.797 -12.197 1.00 0.00 H new ATOM 0 HG LEU A 53 -3.840 4.975 -11.643 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.571 5.791 -11.207 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.978 5.868 -12.938 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -1.985 7.351 -11.955 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -3.335 6.144 -9.491 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -3.829 7.688 -10.225 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -5.027 6.396 -9.980 1.00 0.00 H new ATOM 816 N THR A 54 -4.335 3.605 -13.867 1.00 0.00 N ATOM 817 CA THR A 54 -4.648 2.223 -13.556 1.00 0.00 C ATOM 818 C THR A 54 -4.143 1.991 -12.133 1.00 0.00 C ATOM 819 O THR A 54 -3.076 2.483 -11.768 1.00 0.00 O ATOM 820 CB THR A 54 -3.948 1.311 -14.568 1.00 0.00 C ATOM 821 OG1 THR A 54 -4.388 1.641 -15.867 1.00 0.00 O ATOM 822 CG2 THR A 54 -4.213 -0.177 -14.318 1.00 0.00 C ATOM 0 H THR A 54 -3.371 3.750 -14.166 1.00 0.00 H new ATOM 0 HA THR A 54 -5.714 2.005 -13.616 1.00 0.00 H new ATOM 0 HB THR A 54 -2.876 1.473 -14.458 1.00 0.00 H new ATOM 0 HG1 THR A 54 -3.942 1.062 -16.520 1.00 0.00 H new ATOM 0 HG21 THR A 54 -3.690 -0.771 -15.068 1.00 0.00 H new ATOM 0 HG22 THR A 54 -3.854 -0.449 -13.325 1.00 0.00 H new ATOM 0 HG23 THR A 54 -5.283 -0.372 -14.383 1.00 0.00 H new ATOM 830 N VAL A 55 -4.888 1.244 -11.323 1.00 0.00 N ATOM 831 CA VAL A 55 -4.485 0.904 -9.970 1.00 0.00 C ATOM 832 C VAL A 55 -4.242 -0.600 -9.970 1.00 0.00 C ATOM 833 O VAL A 55 -4.965 -1.347 -10.630 1.00 0.00 O ATOM 834 CB VAL A 55 -5.562 1.345 -8.968 1.00 0.00 C ATOM 835 CG1 VAL A 55 -5.178 0.958 -7.535 1.00 0.00 C ATOM 836 CG2 VAL A 55 -5.746 2.867 -9.013 1.00 0.00 C ATOM 0 H VAL A 55 -5.793 0.857 -11.592 1.00 0.00 H new ATOM 0 HA VAL A 55 -3.577 1.421 -9.660 1.00 0.00 H new ATOM 0 HB VAL A 55 -6.487 0.842 -9.249 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -5.960 1.283 -6.848 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -5.064 -0.124 -7.469 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -4.237 1.439 -7.268 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -6.513 3.162 -8.297 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -4.805 3.355 -8.759 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -6.051 3.167 -10.015 1.00 0.00 H new ATOM 846 N ALA A 56 -3.214 -1.052 -9.258 1.00 0.00 N ATOM 847 CA ALA A 56 -2.876 -2.457 -9.187 1.00 0.00 C ATOM 848 C ALA A 56 -2.512 -2.813 -7.753 1.00 0.00 C ATOM 849 O ALA A 56 -2.048 -1.964 -6.995 1.00 0.00 O ATOM 850 CB ALA A 56 -1.754 -2.766 -10.175 1.00 0.00 C ATOM 0 H ALA A 56 -2.596 -0.448 -8.716 1.00 0.00 H new ATOM 0 HA ALA A 56 -3.729 -3.073 -9.471 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -1.502 -3.825 -10.119 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -2.082 -2.524 -11.186 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -0.876 -2.170 -9.926 1.00 0.00 H new ATOM 856 N LYS A 57 -2.727 -4.072 -7.384 1.00 0.00 N ATOM 857 CA LYS A 57 -2.436 -4.618 -6.074 1.00 0.00 C ATOM 858 C LYS A 57 -1.604 -5.874 -6.296 1.00 0.00 C ATOM 859 O LYS A 57 -1.944 -6.688 -7.154 1.00 0.00 O ATOM 860 CB LYS A 57 -3.744 -4.927 -5.332 1.00 0.00 C ATOM 861 CG LYS A 57 -4.250 -3.727 -4.526 1.00 0.00 C ATOM 862 CD LYS A 57 -5.560 -4.070 -3.795 1.00 0.00 C ATOM 863 CE LYS A 57 -5.937 -2.991 -2.773 1.00 0.00 C ATOM 864 NZ LYS A 57 -4.989 -2.940 -1.642 1.00 0.00 N ATOM 0 H LYS A 57 -3.125 -4.763 -8.020 1.00 0.00 H new ATOM 0 HA LYS A 57 -1.884 -3.910 -5.456 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -4.506 -5.226 -6.052 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -3.589 -5.773 -4.662 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -3.493 -3.425 -3.802 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -4.411 -2.879 -5.191 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -6.365 -4.180 -4.522 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -5.454 -5.030 -3.289 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -5.965 -2.019 -3.266 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -6.941 -3.185 -2.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -5.385 -2.349 -0.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -4.826 -3.902 -1.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -4.087 -2.533 -1.963 1.00 0.00 H new ATOM 878 N LEU A 58 -0.513 -6.027 -5.545 1.00 0.00 N ATOM 879 CA LEU A 58 0.380 -7.167 -5.644 1.00 0.00 C ATOM 880 C LEU A 58 0.577 -7.769 -4.256 1.00 0.00 C ATOM 881 O LEU A 58 1.116 -7.113 -3.367 1.00 0.00 O ATOM 882 CB LEU A 58 1.685 -6.713 -6.296 1.00 0.00 C ATOM 883 CG LEU A 58 2.594 -7.913 -6.615 1.00 0.00 C ATOM 884 CD1 LEU A 58 3.394 -7.588 -7.870 1.00 0.00 C ATOM 885 CD2 LEU A 58 3.574 -8.234 -5.479 1.00 0.00 C ATOM 0 H LEU A 58 -0.226 -5.347 -4.841 1.00 0.00 H new ATOM 0 HA LEU A 58 -0.040 -7.952 -6.273 1.00 0.00 H new ATOM 0 HB2 LEU A 58 1.466 -6.166 -7.213 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.207 -6.025 -5.631 1.00 0.00 H new ATOM 0 HG LEU A 58 1.956 -8.786 -6.753 1.00 0.00 H new ATOM 0 HD11 LEU A 58 4.046 -8.427 -8.114 1.00 0.00 H new ATOM 0 HD12 LEU A 58 2.711 -7.406 -8.700 1.00 0.00 H new ATOM 0 HD13 LEU A 58 3.998 -6.698 -7.696 1.00 0.00 H new ATOM 0 HD21 LEU A 58 4.189 -9.089 -5.760 1.00 0.00 H new ATOM 0 HD22 LEU A 58 4.214 -7.371 -5.296 1.00 0.00 H new ATOM 0 HD23 LEU A 58 3.016 -8.471 -4.573 1.00 0.00 H new ATOM 897 N ASN A 59 0.129 -9.012 -4.061 1.00 0.00 N ATOM 898 CA ASN A 59 0.261 -9.684 -2.776 1.00 0.00 C ATOM 899 C ASN A 59 1.677 -10.242 -2.627 1.00 0.00 C ATOM 900 O ASN A 59 2.046 -11.191 -3.326 1.00 0.00 O ATOM 901 CB ASN A 59 -0.785 -10.790 -2.637 1.00 0.00 C ATOM 902 CG ASN A 59 -0.688 -11.388 -1.239 1.00 0.00 C ATOM 903 OD1 ASN A 59 0.192 -12.198 -0.972 1.00 0.00 O ATOM 904 ND2 ASN A 59 -1.569 -10.985 -0.330 1.00 0.00 N ATOM 0 H ASN A 59 -0.329 -9.570 -4.782 1.00 0.00 H new ATOM 0 HA ASN A 59 0.087 -8.963 -1.977 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -1.784 -10.388 -2.806 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -0.620 -11.561 -3.389 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -1.524 -11.351 0.621 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -2.290 -10.309 -0.583 1.00 0.00 H new ATOM 911 N ILE A 60 2.469 -9.648 -1.732 1.00 0.00 N ATOM 912 CA ILE A 60 3.859 -10.030 -1.511 1.00 0.00 C ATOM 913 C ILE A 60 4.000 -11.419 -0.891 1.00 0.00 C ATOM 914 O ILE A 60 4.973 -12.109 -1.175 1.00 0.00 O ATOM 915 CB ILE A 60 4.609 -8.967 -0.688 1.00 0.00 C ATOM 916 CG1 ILE A 60 4.128 -8.879 0.772 1.00 0.00 C ATOM 917 CG2 ILE A 60 4.510 -7.597 -1.374 1.00 0.00 C ATOM 918 CD1 ILE A 60 5.038 -9.649 1.736 1.00 0.00 C ATOM 0 H ILE A 60 2.157 -8.881 -1.136 1.00 0.00 H new ATOM 0 HA ILE A 60 4.325 -10.084 -2.495 1.00 0.00 H new ATOM 0 HB ILE A 60 5.652 -9.280 -0.648 1.00 0.00 H new ATOM 0 HG12 ILE A 60 4.085 -7.833 1.075 1.00 0.00 H new ATOM 0 HG13 ILE A 60 3.114 -9.273 0.842 1.00 0.00 H new ATOM 0 HG21 ILE A 60 5.044 -6.854 -0.782 1.00 0.00 H new ATOM 0 HG22 ILE A 60 4.953 -7.655 -2.368 1.00 0.00 H new ATOM 0 HG23 ILE A 60 3.463 -7.308 -1.459 1.00 0.00 H new ATOM 0 HD11 ILE A 60 4.654 -9.555 2.752 1.00 0.00 H new ATOM 0 HD12 ILE A 60 5.061 -10.701 1.453 1.00 0.00 H new ATOM 0 HD13 ILE A 60 6.047 -9.239 1.690 1.00 0.00 H new ATOM 930 N ASP A 61 3.057 -11.850 -0.047 1.00 0.00 N ATOM 931 CA ASP A 61 3.148 -13.166 0.583 1.00 0.00 C ATOM 932 C ASP A 61 3.165 -14.240 -0.501 1.00 0.00 C ATOM 933 O ASP A 61 4.005 -15.136 -0.496 1.00 0.00 O ATOM 934 CB ASP A 61 1.993 -13.394 1.563 1.00 0.00 C ATOM 935 CG ASP A 61 1.959 -12.327 2.648 1.00 0.00 C ATOM 936 OD1 ASP A 61 1.298 -11.297 2.398 1.00 0.00 O ATOM 937 OD2 ASP A 61 2.610 -12.541 3.693 1.00 0.00 O ATOM 0 H ASP A 61 2.231 -11.311 0.212 1.00 0.00 H new ATOM 0 HA ASP A 61 4.072 -13.221 1.159 1.00 0.00 H new ATOM 0 HB2 ASP A 61 1.048 -13.391 1.020 1.00 0.00 H new ATOM 0 HB3 ASP A 61 2.094 -14.377 2.022 1.00 0.00 H new ATOM 942 N GLN A 62 2.234 -14.120 -1.447 1.00 0.00 N ATOM 943 CA GLN A 62 2.126 -15.002 -2.592 1.00 0.00 C ATOM 944 C GLN A 62 3.303 -14.775 -3.545 1.00 0.00 C ATOM 945 O GLN A 62 3.791 -15.720 -4.159 1.00 0.00 O ATOM 946 CB GLN A 62 0.799 -14.710 -3.303 1.00 0.00 C ATOM 947 CG GLN A 62 -0.405 -15.042 -2.414 1.00 0.00 C ATOM 948 CD GLN A 62 -1.700 -14.498 -3.013 1.00 0.00 C ATOM 949 OE1 GLN A 62 -1.950 -14.642 -4.203 1.00 0.00 O ATOM 950 NE2 GLN A 62 -2.529 -13.845 -2.202 1.00 0.00 N ATOM 0 H GLN A 62 1.522 -13.389 -1.432 1.00 0.00 H new ATOM 0 HA GLN A 62 2.150 -16.042 -2.267 1.00 0.00 H new ATOM 0 HB2 GLN A 62 0.762 -13.658 -3.588 1.00 0.00 H new ATOM 0 HB3 GLN A 62 0.743 -15.292 -4.223 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -0.483 -16.122 -2.292 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -0.255 -14.619 -1.421 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -2.298 -13.739 -1.214 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -3.396 -13.451 -2.568 1.00 0.00 H new ATOM 959 N ASN A 63 3.736 -13.516 -3.696 1.00 0.00 N ATOM 960 CA ASN A 63 4.790 -13.120 -4.629 1.00 0.00 C ATOM 961 C ASN A 63 5.977 -12.479 -3.906 1.00 0.00 C ATOM 962 O ASN A 63 6.173 -11.266 -4.013 1.00 0.00 O ATOM 963 CB ASN A 63 4.193 -12.145 -5.647 1.00 0.00 C ATOM 964 CG ASN A 63 3.020 -12.764 -6.380 1.00 0.00 C ATOM 965 OD1 ASN A 63 3.200 -13.459 -7.374 1.00 0.00 O ATOM 966 ND2 ASN A 63 1.805 -12.508 -5.910 1.00 0.00 N ATOM 0 H ASN A 63 3.355 -12.734 -3.163 1.00 0.00 H new ATOM 0 HA ASN A 63 5.170 -14.009 -5.133 1.00 0.00 H new ATOM 0 HB2 ASN A 63 3.868 -11.238 -5.138 1.00 0.00 H new ATOM 0 HB3 ASN A 63 4.959 -11.851 -6.365 1.00 0.00 H new ATOM 0 HD21 ASN A 63 0.985 -12.894 -6.379 1.00 0.00 H new ATOM 0 HD22 ASN A 63 1.691 -11.926 -5.080 1.00 0.00 H new ATOM 973 N PRO A 64 6.785 -13.267 -3.178 1.00 0.00 N ATOM 974 CA PRO A 64 7.900 -12.741 -2.414 1.00 0.00 C ATOM 975 C PRO A 64 8.938 -12.054 -3.297 1.00 0.00 C ATOM 976 O PRO A 64 9.277 -10.908 -3.032 1.00 0.00 O ATOM 977 CB PRO A 64 8.470 -13.921 -1.624 1.00 0.00 C ATOM 978 CG PRO A 64 8.004 -15.152 -2.402 1.00 0.00 C ATOM 979 CD PRO A 64 6.666 -14.703 -2.989 1.00 0.00 C ATOM 0 HA PRO A 64 7.573 -11.953 -1.735 1.00 0.00 H new ATOM 0 HB2 PRO A 64 9.557 -13.874 -1.567 1.00 0.00 H new ATOM 0 HB3 PRO A 64 8.097 -13.932 -0.600 1.00 0.00 H new ATOM 0 HG2 PRO A 64 8.714 -15.429 -3.181 1.00 0.00 H new ATOM 0 HG3 PRO A 64 7.889 -16.020 -1.753 1.00 0.00 H new ATOM 0 HD2 PRO A 64 6.463 -15.207 -3.934 1.00 0.00 H new ATOM 0 HD3 PRO A 64 5.842 -14.943 -2.316 1.00 0.00 H new ATOM 987 N GLY A 65 9.440 -12.742 -4.331 1.00 0.00 N ATOM 988 CA GLY A 65 10.476 -12.260 -5.246 1.00 0.00 C ATOM 989 C GLY A 65 10.360 -10.776 -5.607 1.00 0.00 C ATOM 990 O GLY A 65 11.341 -10.033 -5.556 1.00 0.00 O ATOM 0 H GLY A 65 9.122 -13.684 -4.559 1.00 0.00 H new ATOM 0 HA2 GLY A 65 11.453 -12.437 -4.795 1.00 0.00 H new ATOM 0 HA3 GLY A 65 10.437 -12.849 -6.163 1.00 0.00 H new ATOM 994 N THR A 66 9.157 -10.342 -5.975 1.00 0.00 N ATOM 995 CA THR A 66 8.861 -8.971 -6.348 1.00 0.00 C ATOM 996 C THR A 66 9.318 -7.948 -5.296 1.00 0.00 C ATOM 997 O THR A 66 9.724 -6.844 -5.654 1.00 0.00 O ATOM 998 CB THR A 66 7.364 -8.866 -6.695 1.00 0.00 C ATOM 999 OG1 THR A 66 6.698 -10.094 -6.442 1.00 0.00 O ATOM 1000 CG2 THR A 66 7.206 -8.535 -8.183 1.00 0.00 C ATOM 0 H THR A 66 8.343 -10.955 -6.022 1.00 0.00 H new ATOM 0 HA THR A 66 9.442 -8.711 -7.233 1.00 0.00 H new ATOM 0 HB THR A 66 6.927 -8.083 -6.075 1.00 0.00 H new ATOM 0 HG1 THR A 66 6.647 -10.245 -5.475 1.00 0.00 H new ATOM 0 HG21 THR A 66 6.147 -8.461 -8.429 1.00 0.00 H new ATOM 0 HG22 THR A 66 7.696 -7.586 -8.399 1.00 0.00 H new ATOM 0 HG23 THR A 66 7.663 -9.323 -8.782 1.00 0.00 H new ATOM 1008 N ALA A 67 9.275 -8.299 -4.007 1.00 0.00 N ATOM 1009 CA ALA A 67 9.685 -7.398 -2.939 1.00 0.00 C ATOM 1010 C ALA A 67 11.147 -6.942 -3.082 1.00 0.00 C ATOM 1011 O ALA A 67 11.363 -5.762 -3.364 1.00 0.00 O ATOM 1012 CB ALA A 67 9.327 -7.973 -1.562 1.00 0.00 C ATOM 0 H ALA A 67 8.956 -9.212 -3.681 1.00 0.00 H new ATOM 0 HA ALA A 67 9.109 -6.477 -3.033 1.00 0.00 H new ATOM 0 HB1 ALA A 67 9.645 -7.279 -0.784 1.00 0.00 H new ATOM 0 HB2 ALA A 67 8.249 -8.120 -1.498 1.00 0.00 H new ATOM 0 HB3 ALA A 67 9.833 -8.929 -1.424 1.00 0.00 H new ATOM 1018 N PRO A 68 12.165 -7.806 -2.914 1.00 0.00 N ATOM 1019 CA PRO A 68 13.549 -7.398 -3.088 1.00 0.00 C ATOM 1020 C PRO A 68 13.793 -6.872 -4.504 1.00 0.00 C ATOM 1021 O PRO A 68 14.515 -5.890 -4.653 1.00 0.00 O ATOM 1022 CB PRO A 68 14.411 -8.621 -2.759 1.00 0.00 C ATOM 1023 CG PRO A 68 13.463 -9.796 -2.984 1.00 0.00 C ATOM 1024 CD PRO A 68 12.111 -9.216 -2.573 1.00 0.00 C ATOM 0 HA PRO A 68 13.807 -6.573 -2.425 1.00 0.00 H new ATOM 0 HB2 PRO A 68 15.286 -8.681 -3.406 1.00 0.00 H new ATOM 0 HB3 PRO A 68 14.776 -8.590 -1.732 1.00 0.00 H new ATOM 0 HG2 PRO A 68 13.464 -10.125 -4.023 1.00 0.00 H new ATOM 0 HG3 PRO A 68 13.736 -10.659 -2.376 1.00 0.00 H new ATOM 0 HD2 PRO A 68 11.296 -9.714 -3.098 1.00 0.00 H new ATOM 0 HD3 PRO A 68 11.934 -9.354 -1.506 1.00 0.00 H new ATOM 1032 N LYS A 69 13.181 -7.477 -5.536 1.00 0.00 N ATOM 1033 CA LYS A 69 13.346 -7.003 -6.912 1.00 0.00 C ATOM 1034 C LYS A 69 13.080 -5.500 -7.024 1.00 0.00 C ATOM 1035 O LYS A 69 13.788 -4.812 -7.756 1.00 0.00 O ATOM 1036 CB LYS A 69 12.427 -7.761 -7.876 1.00 0.00 C ATOM 1037 CG LYS A 69 12.918 -9.181 -8.184 1.00 0.00 C ATOM 1038 CD LYS A 69 11.867 -9.898 -9.041 1.00 0.00 C ATOM 1039 CE LYS A 69 12.304 -11.323 -9.384 1.00 0.00 C ATOM 1040 NZ LYS A 69 11.264 -12.023 -10.157 1.00 0.00 N ATOM 0 H LYS A 69 12.572 -8.290 -5.440 1.00 0.00 H new ATOM 0 HA LYS A 69 14.383 -7.195 -7.189 1.00 0.00 H new ATOM 0 HB2 LYS A 69 11.426 -7.814 -7.448 1.00 0.00 H new ATOM 0 HB3 LYS A 69 12.346 -7.201 -8.808 1.00 0.00 H new ATOM 0 HG2 LYS A 69 13.872 -9.144 -8.711 1.00 0.00 H new ATOM 0 HG3 LYS A 69 13.087 -9.730 -7.258 1.00 0.00 H new ATOM 0 HD2 LYS A 69 10.917 -9.926 -8.507 1.00 0.00 H new ATOM 0 HD3 LYS A 69 11.700 -9.336 -9.960 1.00 0.00 H new ATOM 0 HE2 LYS A 69 13.231 -11.295 -9.957 1.00 0.00 H new ATOM 0 HE3 LYS A 69 12.513 -11.874 -8.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 11.507 -13.032 -10.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 10.347 -11.922 -9.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 11.203 -11.610 -11.110 1.00 0.00 H new ATOM 1054 N TYR A 70 12.071 -4.991 -6.307 1.00 0.00 N ATOM 1055 CA TYR A 70 11.728 -3.574 -6.318 1.00 0.00 C ATOM 1056 C TYR A 70 12.088 -2.884 -5.002 1.00 0.00 C ATOM 1057 O TYR A 70 11.574 -1.808 -4.705 1.00 0.00 O ATOM 1058 CB TYR A 70 10.263 -3.422 -6.741 1.00 0.00 C ATOM 1059 CG TYR A 70 10.104 -3.688 -8.224 1.00 0.00 C ATOM 1060 CD1 TYR A 70 10.538 -2.710 -9.138 1.00 0.00 C ATOM 1061 CD2 TYR A 70 9.875 -5.004 -8.670 1.00 0.00 C ATOM 1062 CE1 TYR A 70 10.781 -3.051 -10.478 1.00 0.00 C ATOM 1063 CE2 TYR A 70 10.168 -5.357 -9.997 1.00 0.00 C ATOM 1064 CZ TYR A 70 10.654 -4.388 -10.890 1.00 0.00 C ATOM 1065 OH TYR A 70 10.990 -4.751 -12.159 1.00 0.00 O ATOM 0 H TYR A 70 11.472 -5.555 -5.704 1.00 0.00 H new ATOM 0 HA TYR A 70 12.333 -3.048 -7.057 1.00 0.00 H new ATOM 0 HB2 TYR A 70 9.642 -4.115 -6.173 1.00 0.00 H new ATOM 0 HB3 TYR A 70 9.914 -2.416 -6.507 1.00 0.00 H new ATOM 0 HD1 TYR A 70 10.685 -1.692 -8.807 1.00 0.00 H new ATOM 0 HD2 TYR A 70 9.474 -5.742 -7.991 1.00 0.00 H new ATOM 0 HE1 TYR A 70 11.064 -2.289 -11.189 1.00 0.00 H new ATOM 0 HE2 TYR A 70 10.020 -6.373 -10.331 1.00 0.00 H new ATOM 0 HH TYR A 70 10.842 -5.713 -12.274 1.00 0.00 H new ATOM 1075 N GLY A 71 13.005 -3.476 -4.231 1.00 0.00 N ATOM 1076 CA GLY A 71 13.504 -2.920 -2.984 1.00 0.00 C ATOM 1077 C GLY A 71 12.398 -2.512 -2.015 1.00 0.00 C ATOM 1078 O GLY A 71 12.524 -1.497 -1.332 1.00 0.00 O ATOM 0 H GLY A 71 13.426 -4.374 -4.468 1.00 0.00 H new ATOM 0 HA2 GLY A 71 14.148 -3.654 -2.500 1.00 0.00 H new ATOM 0 HA3 GLY A 71 14.122 -2.050 -3.205 1.00 0.00 H new ATOM 1082 N ILE A 72 11.321 -3.296 -1.924 1.00 0.00 N ATOM 1083 CA ILE A 72 10.246 -3.008 -0.979 1.00 0.00 C ATOM 1084 C ILE A 72 10.840 -2.957 0.430 1.00 0.00 C ATOM 1085 O ILE A 72 11.521 -3.889 0.857 1.00 0.00 O ATOM 1086 CB ILE A 72 9.109 -4.043 -1.108 1.00 0.00 C ATOM 1087 CG1 ILE A 72 8.103 -3.660 -2.206 1.00 0.00 C ATOM 1088 CG2 ILE A 72 8.307 -4.220 0.192 1.00 0.00 C ATOM 1089 CD1 ILE A 72 8.731 -3.342 -3.563 1.00 0.00 C ATOM 0 H ILE A 72 11.173 -4.131 -2.491 1.00 0.00 H new ATOM 0 HA ILE A 72 9.796 -2.040 -1.199 1.00 0.00 H new ATOM 0 HB ILE A 72 9.617 -4.975 -1.357 1.00 0.00 H new ATOM 0 HG12 ILE A 72 7.394 -4.478 -2.332 1.00 0.00 H new ATOM 0 HG13 ILE A 72 7.534 -2.793 -1.872 1.00 0.00 H new ATOM 0 HG21 ILE A 72 7.522 -4.960 0.037 1.00 0.00 H new ATOM 0 HG22 ILE A 72 8.972 -4.557 0.987 1.00 0.00 H new ATOM 0 HG23 ILE A 72 7.857 -3.268 0.474 1.00 0.00 H new ATOM 0 HD11 ILE A 72 7.947 -3.083 -4.275 1.00 0.00 H new ATOM 0 HD12 ILE A 72 9.418 -2.502 -3.458 1.00 0.00 H new ATOM 0 HD13 ILE A 72 9.276 -4.214 -3.925 1.00 0.00 H new ATOM 1101 N ARG A 73 10.596 -1.843 1.124 1.00 0.00 N ATOM 1102 CA ARG A 73 11.071 -1.595 2.474 1.00 0.00 C ATOM 1103 C ARG A 73 10.044 -2.129 3.472 1.00 0.00 C ATOM 1104 O ARG A 73 10.389 -2.834 4.415 1.00 0.00 O ATOM 1105 CB ARG A 73 11.316 -0.093 2.658 1.00 0.00 C ATOM 1106 CG ARG A 73 12.325 0.542 1.684 1.00 0.00 C ATOM 1107 CD ARG A 73 13.743 -0.040 1.777 1.00 0.00 C ATOM 1108 NE ARG A 73 13.803 -1.366 1.155 1.00 0.00 N ATOM 1109 CZ ARG A 73 14.585 -2.381 1.546 1.00 0.00 C ATOM 1110 NH1 ARG A 73 15.679 -2.147 2.278 1.00 0.00 N ATOM 1111 NH2 ARG A 73 14.246 -3.628 1.210 1.00 0.00 N ATOM 0 H ARG A 73 10.047 -1.071 0.746 1.00 0.00 H new ATOM 0 HA ARG A 73 12.014 -2.112 2.650 1.00 0.00 H new ATOM 0 HB2 ARG A 73 10.364 0.427 2.556 1.00 0.00 H new ATOM 0 HB3 ARG A 73 11.665 0.078 3.676 1.00 0.00 H new ATOM 0 HG2 ARG A 73 11.959 0.415 0.665 1.00 0.00 H new ATOM 0 HG3 ARG A 73 12.371 1.614 1.875 1.00 0.00 H new ATOM 0 HD2 ARG A 73 14.449 0.630 1.285 1.00 0.00 H new ATOM 0 HD3 ARG A 73 14.045 -0.110 2.822 1.00 0.00 H new ATOM 0 HE ARG A 73 13.195 -1.531 0.353 1.00 0.00 H new ATOM 0 HH11 ARG A 73 15.922 -1.192 2.541 1.00 0.00 H new ATOM 0 HH12 ARG A 73 16.271 -2.924 2.573 1.00 0.00 H new ATOM 0 HH21 ARG A 73 13.402 -3.797 0.663 1.00 0.00 H new ATOM 0 HH22 ARG A 73 14.831 -4.411 1.500 1.00 0.00 H new ATOM 1125 N GLY A 74 8.772 -1.798 3.250 1.00 0.00 N ATOM 1126 CA GLY A 74 7.662 -2.240 4.069 1.00 0.00 C ATOM 1127 C GLY A 74 6.384 -1.933 3.305 1.00 0.00 C ATOM 1128 O GLY A 74 6.331 -0.940 2.577 1.00 0.00 O ATOM 0 H GLY A 74 8.486 -1.200 2.475 1.00 0.00 H new ATOM 0 HA2 GLY A 74 7.739 -3.307 4.276 1.00 0.00 H new ATOM 0 HA3 GLY A 74 7.667 -1.728 5.031 1.00 0.00 H new ATOM 1132 N ILE A 75 5.373 -2.791 3.441 1.00 0.00 N ATOM 1133 CA ILE A 75 4.093 -2.624 2.769 1.00 0.00 C ATOM 1134 C ILE A 75 3.125 -1.833 3.657 1.00 0.00 C ATOM 1135 O ILE A 75 3.282 -1.860 4.876 1.00 0.00 O ATOM 1136 CB ILE A 75 3.514 -3.974 2.315 1.00 0.00 C ATOM 1137 CG1 ILE A 75 2.975 -4.916 3.402 1.00 0.00 C ATOM 1138 CG2 ILE A 75 4.467 -4.697 1.354 1.00 0.00 C ATOM 1139 CD1 ILE A 75 3.990 -5.423 4.424 1.00 0.00 C ATOM 0 H ILE A 75 5.424 -3.626 4.025 1.00 0.00 H new ATOM 0 HA ILE A 75 4.249 -2.043 1.860 1.00 0.00 H new ATOM 0 HB ILE A 75 2.606 -3.684 1.786 1.00 0.00 H new ATOM 0 HG12 ILE A 75 2.179 -4.399 3.938 1.00 0.00 H new ATOM 0 HG13 ILE A 75 2.522 -5.779 2.913 1.00 0.00 H new ATOM 0 HG21 ILE A 75 4.027 -5.648 1.052 1.00 0.00 H new ATOM 0 HG22 ILE A 75 4.633 -4.078 0.472 1.00 0.00 H new ATOM 0 HG23 ILE A 75 5.418 -4.879 1.854 1.00 0.00 H new ATOM 0 HD11 ILE A 75 3.491 -6.078 5.138 1.00 0.00 H new ATOM 0 HD12 ILE A 75 4.777 -5.977 3.912 1.00 0.00 H new ATOM 0 HD13 ILE A 75 4.428 -4.576 4.953 1.00 0.00 H new ATOM 1151 N PRO A 76 2.120 -1.133 3.099 1.00 0.00 N ATOM 1152 CA PRO A 76 1.814 -0.974 1.683 1.00 0.00 C ATOM 1153 C PRO A 76 2.894 -0.140 0.988 1.00 0.00 C ATOM 1154 O PRO A 76 3.242 0.934 1.475 1.00 0.00 O ATOM 1155 CB PRO A 76 0.455 -0.271 1.629 1.00 0.00 C ATOM 1156 CG PRO A 76 0.386 0.493 2.949 1.00 0.00 C ATOM 1157 CD PRO A 76 1.152 -0.418 3.905 1.00 0.00 C ATOM 0 HA PRO A 76 1.784 -1.933 1.166 1.00 0.00 H new ATOM 0 HB2 PRO A 76 0.386 0.401 0.774 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -0.362 -0.987 1.538 1.00 0.00 H new ATOM 0 HG2 PRO A 76 0.847 1.478 2.871 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -0.643 0.647 3.274 1.00 0.00 H new ATOM 0 HD2 PRO A 76 1.647 0.163 4.683 1.00 0.00 H new ATOM 0 HD3 PRO A 76 0.476 -1.111 4.407 1.00 0.00 H new ATOM 1165 N THR A 77 3.432 -0.637 -0.131 1.00 0.00 N ATOM 1166 CA THR A 77 4.450 0.075 -0.899 1.00 0.00 C ATOM 1167 C THR A 77 3.823 0.439 -2.239 1.00 0.00 C ATOM 1168 O THR A 77 3.570 -0.441 -3.060 1.00 0.00 O ATOM 1169 CB THR A 77 5.723 -0.768 -1.093 1.00 0.00 C ATOM 1170 OG1 THR A 77 5.917 -1.662 -0.020 1.00 0.00 O ATOM 1171 CG2 THR A 77 6.950 0.142 -1.177 1.00 0.00 C ATOM 0 H THR A 77 3.173 -1.541 -0.526 1.00 0.00 H new ATOM 0 HA THR A 77 4.766 0.969 -0.361 1.00 0.00 H new ATOM 0 HB THR A 77 5.598 -1.333 -2.017 1.00 0.00 H new ATOM 0 HG1 THR A 77 6.045 -1.155 0.809 1.00 0.00 H new ATOM 0 HG21 THR A 77 7.845 -0.465 -1.314 1.00 0.00 H new ATOM 0 HG22 THR A 77 6.841 0.823 -2.021 1.00 0.00 H new ATOM 0 HG23 THR A 77 7.040 0.717 -0.256 1.00 0.00 H new ATOM 1179 N LEU A 78 3.554 1.725 -2.451 1.00 0.00 N ATOM 1180 CA LEU A 78 2.947 2.233 -3.666 1.00 0.00 C ATOM 1181 C LEU A 78 4.068 2.570 -4.642 1.00 0.00 C ATOM 1182 O LEU A 78 4.938 3.362 -4.293 1.00 0.00 O ATOM 1183 CB LEU A 78 2.120 3.490 -3.348 1.00 0.00 C ATOM 1184 CG LEU A 78 1.193 3.342 -2.133 1.00 0.00 C ATOM 1185 CD1 LEU A 78 0.226 4.525 -2.105 1.00 0.00 C ATOM 1186 CD2 LEU A 78 0.365 2.052 -2.160 1.00 0.00 C ATOM 0 H LEU A 78 3.758 2.453 -1.766 1.00 0.00 H new ATOM 0 HA LEU A 78 2.281 1.489 -4.103 1.00 0.00 H new ATOM 0 HB2 LEU A 78 2.800 4.324 -3.173 1.00 0.00 H new ATOM 0 HB3 LEU A 78 1.519 3.746 -4.220 1.00 0.00 H new ATOM 0 HG LEU A 78 1.830 3.309 -1.249 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -0.438 4.432 -1.246 1.00 0.00 H new ATOM 0 HD12 LEU A 78 0.790 5.454 -2.028 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -0.365 4.534 -3.021 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -0.269 2.008 -1.274 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -0.259 2.039 -3.054 1.00 0.00 H new ATOM 0 HD23 LEU A 78 1.033 1.191 -2.171 1.00 0.00 H new ATOM 1198 N LEU A 79 4.081 1.988 -5.840 1.00 0.00 N ATOM 1199 CA LEU A 79 5.056 2.266 -6.887 1.00 0.00 C ATOM 1200 C LEU A 79 4.252 2.706 -8.103 1.00 0.00 C ATOM 1201 O LEU A 79 3.487 1.917 -8.653 1.00 0.00 O ATOM 1202 CB LEU A 79 5.898 1.025 -7.220 1.00 0.00 C ATOM 1203 CG LEU A 79 7.107 0.807 -6.292 1.00 0.00 C ATOM 1204 CD1 LEU A 79 6.723 0.272 -4.909 1.00 0.00 C ATOM 1205 CD2 LEU A 79 8.082 -0.182 -6.940 1.00 0.00 C ATOM 0 H LEU A 79 3.391 1.289 -6.115 1.00 0.00 H new ATOM 0 HA LEU A 79 5.759 3.035 -6.565 1.00 0.00 H new ATOM 0 HB2 LEU A 79 5.258 0.144 -7.175 1.00 0.00 H new ATOM 0 HB3 LEU A 79 6.254 1.108 -8.247 1.00 0.00 H new ATOM 0 HG LEU A 79 7.566 1.786 -6.151 1.00 0.00 H new ATOM 0 HD11 LEU A 79 7.622 0.142 -4.307 1.00 0.00 H new ATOM 0 HD12 LEU A 79 6.056 0.980 -4.417 1.00 0.00 H new ATOM 0 HD13 LEU A 79 6.217 -0.687 -5.018 1.00 0.00 H new ATOM 0 HD21 LEU A 79 8.937 -0.335 -6.281 1.00 0.00 H new ATOM 0 HD22 LEU A 79 7.578 -1.134 -7.107 1.00 0.00 H new ATOM 0 HD23 LEU A 79 8.426 0.218 -7.894 1.00 0.00 H new ATOM 1217 N LEU A 80 4.407 3.962 -8.522 1.00 0.00 N ATOM 1218 CA LEU A 80 3.687 4.507 -9.658 1.00 0.00 C ATOM 1219 C LEU A 80 4.524 4.260 -10.908 1.00 0.00 C ATOM 1220 O LEU A 80 5.443 5.019 -11.210 1.00 0.00 O ATOM 1221 CB LEU A 80 3.378 5.976 -9.374 1.00 0.00 C ATOM 1222 CG LEU A 80 2.541 6.699 -10.446 1.00 0.00 C ATOM 1223 CD1 LEU A 80 1.561 5.816 -11.229 1.00 0.00 C ATOM 1224 CD2 LEU A 80 1.703 7.752 -9.726 1.00 0.00 C ATOM 0 H LEU A 80 5.039 4.627 -8.077 1.00 0.00 H new ATOM 0 HA LEU A 80 2.725 4.023 -9.828 1.00 0.00 H new ATOM 0 HB2 LEU A 80 2.851 6.040 -8.422 1.00 0.00 H new ATOM 0 HB3 LEU A 80 4.320 6.510 -9.253 1.00 0.00 H new ATOM 0 HG LEU A 80 3.253 7.091 -11.172 1.00 0.00 H new ATOM 0 HD11 LEU A 80 1.024 6.425 -11.956 1.00 0.00 H new ATOM 0 HD12 LEU A 80 2.113 5.032 -11.748 1.00 0.00 H new ATOM 0 HD13 LEU A 80 0.849 5.362 -10.539 1.00 0.00 H new ATOM 0 HD21 LEU A 80 1.093 8.290 -10.452 1.00 0.00 H new ATOM 0 HD22 LEU A 80 1.055 7.265 -8.997 1.00 0.00 H new ATOM 0 HD23 LEU A 80 2.362 8.454 -9.215 1.00 0.00 H new ATOM 1236 N PHE A 81 4.214 3.174 -11.613 1.00 0.00 N ATOM 1237 CA PHE A 81 4.916 2.735 -12.807 1.00 0.00 C ATOM 1238 C PHE A 81 4.354 3.393 -14.061 1.00 0.00 C ATOM 1239 O PHE A 81 3.143 3.540 -14.182 1.00 0.00 O ATOM 1240 CB PHE A 81 4.764 1.215 -12.937 1.00 0.00 C ATOM 1241 CG PHE A 81 5.761 0.428 -12.116 1.00 0.00 C ATOM 1242 CD1 PHE A 81 7.001 0.089 -12.682 1.00 0.00 C ATOM 1243 CD2 PHE A 81 5.444 -0.001 -10.818 1.00 0.00 C ATOM 1244 CE1 PHE A 81 7.902 -0.725 -11.980 1.00 0.00 C ATOM 1245 CE2 PHE A 81 6.340 -0.824 -10.116 1.00 0.00 C ATOM 1246 CZ PHE A 81 7.578 -1.165 -10.687 1.00 0.00 C ATOM 0 H PHE A 81 3.442 2.559 -11.357 1.00 0.00 H new ATOM 0 HA PHE A 81 5.964 3.019 -12.712 1.00 0.00 H new ATOM 0 HB2 PHE A 81 3.756 0.933 -12.634 1.00 0.00 H new ATOM 0 HB3 PHE A 81 4.871 0.937 -13.985 1.00 0.00 H new ATOM 0 HD1 PHE A 81 7.262 0.457 -13.663 1.00 0.00 H new ATOM 0 HD2 PHE A 81 4.514 0.301 -10.360 1.00 0.00 H new ATOM 0 HE1 PHE A 81 8.840 -1.012 -12.432 1.00 0.00 H new ATOM 0 HE2 PHE A 81 6.077 -1.195 -9.136 1.00 0.00 H new ATOM 0 HZ PHE A 81 8.281 -1.767 -10.130 1.00 0.00 H new ATOM 1256 N LYS A 82 5.230 3.735 -15.006 1.00 0.00 N ATOM 1257 CA LYS A 82 4.893 4.260 -16.319 1.00 0.00 C ATOM 1258 C LYS A 82 5.825 3.556 -17.307 1.00 0.00 C ATOM 1259 O LYS A 82 7.029 3.794 -17.271 1.00 0.00 O ATOM 1260 CB LYS A 82 5.083 5.784 -16.365 1.00 0.00 C ATOM 1261 CG LYS A 82 4.184 6.539 -15.381 1.00 0.00 C ATOM 1262 CD LYS A 82 4.257 8.043 -15.674 1.00 0.00 C ATOM 1263 CE LYS A 82 3.483 8.873 -14.647 1.00 0.00 C ATOM 1264 NZ LYS A 82 3.565 10.305 -14.986 1.00 0.00 N ATOM 0 H LYS A 82 6.237 3.648 -14.866 1.00 0.00 H new ATOM 0 HA LYS A 82 3.847 4.075 -16.566 1.00 0.00 H new ATOM 0 HB2 LYS A 82 6.125 6.020 -16.148 1.00 0.00 H new ATOM 0 HB3 LYS A 82 4.880 6.138 -17.376 1.00 0.00 H new ATOM 0 HG2 LYS A 82 3.155 6.190 -15.470 1.00 0.00 H new ATOM 0 HG3 LYS A 82 4.501 6.341 -14.357 1.00 0.00 H new ATOM 0 HD2 LYS A 82 5.300 8.359 -15.682 1.00 0.00 H new ATOM 0 HD3 LYS A 82 3.858 8.237 -16.670 1.00 0.00 H new ATOM 0 HE2 LYS A 82 2.440 8.556 -14.624 1.00 0.00 H new ATOM 0 HE3 LYS A 82 3.890 8.704 -13.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 3.217 10.872 -14.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 4.554 10.558 -15.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 2.982 10.497 -15.826 1.00 0.00 H new ATOM 1278 N ASN A 83 5.311 2.652 -18.154 1.00 0.00 N ATOM 1279 CA ASN A 83 6.135 1.908 -19.111 1.00 0.00 C ATOM 1280 C ASN A 83 7.309 1.241 -18.387 1.00 0.00 C ATOM 1281 O ASN A 83 8.469 1.376 -18.779 1.00 0.00 O ATOM 1282 CB ASN A 83 6.584 2.834 -20.256 1.00 0.00 C ATOM 1283 CG ASN A 83 7.014 2.064 -21.504 1.00 0.00 C ATOM 1284 OD1 ASN A 83 6.330 2.093 -22.521 1.00 0.00 O ATOM 1285 ND2 ASN A 83 8.140 1.363 -21.454 1.00 0.00 N ATOM 0 H ASN A 83 4.319 2.419 -18.193 1.00 0.00 H new ATOM 0 HA ASN A 83 5.547 1.109 -19.564 1.00 0.00 H new ATOM 0 HB2 ASN A 83 5.767 3.508 -20.514 1.00 0.00 H new ATOM 0 HB3 ASN A 83 7.413 3.453 -19.913 1.00 0.00 H new ATOM 0 HD21 ASN A 83 8.450 0.836 -22.271 1.00 0.00 H new ATOM 0 HD22 ASN A 83 8.696 1.351 -20.599 1.00 0.00 H new ATOM 1292 N GLY A 84 7.015 0.552 -17.285 1.00 0.00 N ATOM 1293 CA GLY A 84 8.025 -0.119 -16.480 1.00 0.00 C ATOM 1294 C GLY A 84 8.933 0.814 -15.673 1.00 0.00 C ATOM 1295 O GLY A 84 9.617 0.337 -14.769 1.00 0.00 O ATOM 0 H GLY A 84 6.066 0.445 -16.928 1.00 0.00 H new ATOM 0 HA2 GLY A 84 7.526 -0.801 -15.792 1.00 0.00 H new ATOM 0 HA3 GLY A 84 8.646 -0.728 -17.137 1.00 0.00 H new ATOM 1299 N GLU A 85 8.941 2.122 -15.941 1.00 0.00 N ATOM 1300 CA GLU A 85 9.760 3.065 -15.197 1.00 0.00 C ATOM 1301 C GLU A 85 8.971 3.557 -13.988 1.00 0.00 C ATOM 1302 O GLU A 85 7.863 4.066 -14.136 1.00 0.00 O ATOM 1303 CB GLU A 85 10.154 4.240 -16.099 1.00 0.00 C ATOM 1304 CG GLU A 85 11.027 3.766 -17.264 1.00 0.00 C ATOM 1305 CD GLU A 85 11.311 4.902 -18.240 1.00 0.00 C ATOM 1306 OE1 GLU A 85 12.198 5.718 -17.912 1.00 0.00 O ATOM 1307 OE2 GLU A 85 10.632 4.939 -19.288 1.00 0.00 O ATOM 0 H GLU A 85 8.380 2.550 -16.678 1.00 0.00 H new ATOM 0 HA GLU A 85 10.673 2.577 -14.856 1.00 0.00 H new ATOM 0 HB2 GLU A 85 9.257 4.724 -16.485 1.00 0.00 H new ATOM 0 HB3 GLU A 85 10.693 4.987 -15.516 1.00 0.00 H new ATOM 0 HG2 GLU A 85 11.967 3.370 -16.880 1.00 0.00 H new ATOM 0 HG3 GLU A 85 10.528 2.950 -17.787 1.00 0.00 H new ATOM 1314 N VAL A 86 9.544 3.418 -12.792 1.00 0.00 N ATOM 1315 CA VAL A 86 8.926 3.928 -11.578 1.00 0.00 C ATOM 1316 C VAL A 86 9.039 5.456 -11.619 1.00 0.00 C ATOM 1317 O VAL A 86 10.144 5.990 -11.559 1.00 0.00 O ATOM 1318 CB VAL A 86 9.609 3.334 -10.332 1.00 0.00 C ATOM 1319 CG1 VAL A 86 8.972 3.881 -9.046 1.00 0.00 C ATOM 1320 CG2 VAL A 86 9.481 1.807 -10.319 1.00 0.00 C ATOM 0 H VAL A 86 10.440 2.953 -12.643 1.00 0.00 H new ATOM 0 HA VAL A 86 7.877 3.638 -11.520 1.00 0.00 H new ATOM 0 HB VAL A 86 10.660 3.618 -10.373 1.00 0.00 H new ATOM 0 HG11 VAL A 86 9.471 3.447 -8.180 1.00 0.00 H new ATOM 0 HG12 VAL A 86 9.078 4.966 -9.020 1.00 0.00 H new ATOM 0 HG13 VAL A 86 7.914 3.619 -9.024 1.00 0.00 H new ATOM 0 HG21 VAL A 86 9.970 1.408 -9.430 1.00 0.00 H new ATOM 0 HG22 VAL A 86 8.427 1.530 -10.308 1.00 0.00 H new ATOM 0 HG23 VAL A 86 9.955 1.395 -11.210 1.00 0.00 H new ATOM 1330 N ALA A 87 7.911 6.159 -11.718 1.00 0.00 N ATOM 1331 CA ALA A 87 7.877 7.614 -11.762 1.00 0.00 C ATOM 1332 C ALA A 87 8.042 8.168 -10.349 1.00 0.00 C ATOM 1333 O ALA A 87 8.770 9.133 -10.135 1.00 0.00 O ATOM 1334 CB ALA A 87 6.551 8.078 -12.373 1.00 0.00 C ATOM 0 H ALA A 87 6.988 5.727 -11.770 1.00 0.00 H new ATOM 0 HA ALA A 87 8.694 7.985 -12.381 1.00 0.00 H new ATOM 0 HB1 ALA A 87 6.527 9.167 -12.405 1.00 0.00 H new ATOM 0 HB2 ALA A 87 6.458 7.683 -13.385 1.00 0.00 H new ATOM 0 HB3 ALA A 87 5.723 7.715 -11.764 1.00 0.00 H new ATOM 1340 N ALA A 88 7.381 7.532 -9.377 1.00 0.00 N ATOM 1341 CA ALA A 88 7.460 7.885 -7.970 1.00 0.00 C ATOM 1342 C ALA A 88 7.023 6.674 -7.158 1.00 0.00 C ATOM 1343 O ALA A 88 6.499 5.704 -7.713 1.00 0.00 O ATOM 1344 CB ALA A 88 6.572 9.094 -7.664 1.00 0.00 C ATOM 0 H ALA A 88 6.764 6.740 -9.558 1.00 0.00 H new ATOM 0 HA ALA A 88 8.482 8.161 -7.709 1.00 0.00 H new ATOM 0 HB1 ALA A 88 6.646 9.341 -6.605 1.00 0.00 H new ATOM 0 HB2 ALA A 88 6.900 9.946 -8.259 1.00 0.00 H new ATOM 0 HB3 ALA A 88 5.537 8.857 -7.909 1.00 0.00 H new ATOM 1350 N THR A 89 7.221 6.732 -5.843 1.00 0.00 N ATOM 1351 CA THR A 89 6.845 5.666 -4.937 1.00 0.00 C ATOM 1352 C THR A 89 6.483 6.270 -3.582 1.00 0.00 C ATOM 1353 O THR A 89 6.818 7.426 -3.317 1.00 0.00 O ATOM 1354 CB THR A 89 7.970 4.614 -4.869 1.00 0.00 C ATOM 1355 OG1 THR A 89 7.625 3.544 -4.015 1.00 0.00 O ATOM 1356 CG2 THR A 89 9.301 5.201 -4.390 1.00 0.00 C ATOM 0 H THR A 89 7.652 7.531 -5.379 1.00 0.00 H new ATOM 0 HA THR A 89 5.961 5.139 -5.296 1.00 0.00 H new ATOM 0 HB THR A 89 8.093 4.254 -5.891 1.00 0.00 H new ATOM 0 HG1 THR A 89 6.666 3.358 -4.094 1.00 0.00 H new ATOM 0 HG21 THR A 89 10.056 4.415 -4.362 1.00 0.00 H new ATOM 0 HG22 THR A 89 9.620 5.986 -5.075 1.00 0.00 H new ATOM 0 HG23 THR A 89 9.176 5.620 -3.392 1.00 0.00 H new ATOM 1364 N LYS A 90 5.785 5.498 -2.747 1.00 0.00 N ATOM 1365 CA LYS A 90 5.338 5.889 -1.426 1.00 0.00 C ATOM 1366 C LYS A 90 5.354 4.648 -0.533 1.00 0.00 C ATOM 1367 O LYS A 90 4.651 3.679 -0.809 1.00 0.00 O ATOM 1368 CB LYS A 90 3.934 6.510 -1.528 1.00 0.00 C ATOM 1369 CG LYS A 90 3.670 7.535 -0.425 1.00 0.00 C ATOM 1370 CD LYS A 90 3.435 6.897 0.948 1.00 0.00 C ATOM 1371 CE LYS A 90 3.386 7.940 2.067 1.00 0.00 C ATOM 1372 NZ LYS A 90 3.291 7.283 3.383 1.00 0.00 N ATOM 0 H LYS A 90 5.509 4.547 -2.991 1.00 0.00 H new ATOM 0 HA LYS A 90 5.996 6.640 -0.989 1.00 0.00 H new ATOM 0 HB2 LYS A 90 3.821 6.989 -2.500 1.00 0.00 H new ATOM 0 HB3 LYS A 90 3.185 5.720 -1.473 1.00 0.00 H new ATOM 0 HG2 LYS A 90 4.518 8.217 -0.361 1.00 0.00 H new ATOM 0 HG3 LYS A 90 2.799 8.133 -0.694 1.00 0.00 H new ATOM 0 HD2 LYS A 90 2.499 6.339 0.932 1.00 0.00 H new ATOM 0 HD3 LYS A 90 4.230 6.181 1.155 1.00 0.00 H new ATOM 0 HE2 LYS A 90 4.279 8.564 2.029 1.00 0.00 H new ATOM 0 HE3 LYS A 90 2.530 8.599 1.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 3.594 7.946 4.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 2.307 6.995 3.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 3.905 6.444 3.397 1.00 0.00 H new ATOM 1386 N VAL A 91 6.141 4.684 0.545 1.00 0.00 N ATOM 1387 CA VAL A 91 6.208 3.615 1.527 1.00 0.00 C ATOM 1388 C VAL A 91 5.227 3.979 2.647 1.00 0.00 C ATOM 1389 O VAL A 91 5.365 5.040 3.257 1.00 0.00 O ATOM 1390 CB VAL A 91 7.649 3.485 2.056 1.00 0.00 C ATOM 1391 CG1 VAL A 91 7.782 2.273 2.988 1.00 0.00 C ATOM 1392 CG2 VAL A 91 8.666 3.344 0.915 1.00 0.00 C ATOM 0 H VAL A 91 6.755 5.470 0.757 1.00 0.00 H new ATOM 0 HA VAL A 91 5.938 2.651 1.095 1.00 0.00 H new ATOM 0 HB VAL A 91 7.863 4.401 2.607 1.00 0.00 H new ATOM 0 HG11 VAL A 91 8.808 2.202 3.349 1.00 0.00 H new ATOM 0 HG12 VAL A 91 7.107 2.390 3.836 1.00 0.00 H new ATOM 0 HG13 VAL A 91 7.526 1.365 2.443 1.00 0.00 H new ATOM 0 HG21 VAL A 91 9.670 3.255 1.331 1.00 0.00 H new ATOM 0 HG22 VAL A 91 8.435 2.454 0.330 1.00 0.00 H new ATOM 0 HG23 VAL A 91 8.616 4.223 0.273 1.00 0.00 H new ATOM 1402 N GLY A 92 4.232 3.128 2.910 1.00 0.00 N ATOM 1403 CA GLY A 92 3.241 3.359 3.951 1.00 0.00 C ATOM 1404 C GLY A 92 1.924 3.893 3.387 1.00 0.00 C ATOM 1405 O GLY A 92 1.795 4.155 2.192 1.00 0.00 O ATOM 0 H GLY A 92 4.095 2.255 2.400 1.00 0.00 H new ATOM 0 HA2 GLY A 92 3.054 2.428 4.485 1.00 0.00 H new ATOM 0 HA3 GLY A 92 3.638 4.069 4.677 1.00 0.00 H new ATOM 1409 N ALA A 93 0.930 4.030 4.268 1.00 0.00 N ATOM 1410 CA ALA A 93 -0.407 4.492 3.916 1.00 0.00 C ATOM 1411 C ALA A 93 -0.430 5.984 3.569 1.00 0.00 C ATOM 1412 O ALA A 93 0.557 6.693 3.756 1.00 0.00 O ATOM 1413 CB ALA A 93 -1.363 4.179 5.072 1.00 0.00 C ATOM 0 H ALA A 93 1.037 3.819 5.260 1.00 0.00 H new ATOM 0 HA ALA A 93 -0.731 3.964 3.019 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -2.366 4.521 4.817 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -1.380 3.104 5.249 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -1.023 4.689 5.973 1.00 0.00 H new ATOM 1419 N LEU A 94 -1.580 6.454 3.081 1.00 0.00 N ATOM 1420 CA LEU A 94 -1.840 7.832 2.692 1.00 0.00 C ATOM 1421 C LEU A 94 -3.282 8.168 3.040 1.00 0.00 C ATOM 1422 O LEU A 94 -4.128 7.275 3.093 1.00 0.00 O ATOM 1423 CB LEU A 94 -1.744 7.957 1.165 1.00 0.00 C ATOM 1424 CG LEU A 94 -0.327 8.176 0.631 1.00 0.00 C ATOM 1425 CD1 LEU A 94 -0.288 7.729 -0.827 1.00 0.00 C ATOM 1426 CD2 LEU A 94 0.001 9.670 0.657 1.00 0.00 C ATOM 0 H LEU A 94 -2.391 5.851 2.942 1.00 0.00 H new ATOM 0 HA LEU A 94 -1.126 8.483 3.196 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -2.153 7.053 0.713 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -2.372 8.787 0.841 1.00 0.00 H new ATOM 0 HG LEU A 94 0.383 7.617 1.241 1.00 0.00 H new ATOM 0 HD11 LEU A 94 0.715 7.877 -1.226 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -0.552 6.673 -0.891 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -1.000 8.316 -1.407 1.00 0.00 H new ATOM 0 HD21 LEU A 94 1.010 9.828 0.277 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -0.711 10.210 0.032 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -0.063 10.039 1.681 1.00 0.00 H new ATOM 1438 N SER A 95 -3.573 9.463 3.174 1.00 0.00 N ATOM 1439 CA SER A 95 -4.929 9.957 3.284 1.00 0.00 C ATOM 1440 C SER A 95 -5.402 10.159 1.841 1.00 0.00 C ATOM 1441 O SER A 95 -4.585 10.401 0.947 1.00 0.00 O ATOM 1442 CB SER A 95 -4.925 11.265 4.079 1.00 0.00 C ATOM 1443 OG SER A 95 -3.946 12.145 3.558 1.00 0.00 O ATOM 0 H SER A 95 -2.864 10.195 3.208 1.00 0.00 H new ATOM 0 HA SER A 95 -5.596 9.275 3.811 1.00 0.00 H new ATOM 0 HB2 SER A 95 -5.909 11.732 4.031 1.00 0.00 H new ATOM 0 HB3 SER A 95 -4.720 11.061 5.130 1.00 0.00 H new ATOM 0 HG SER A 95 -3.951 12.980 4.071 1.00 0.00 H new ATOM 1449 N LYS A 96 -6.709 10.052 1.596 1.00 0.00 N ATOM 1450 CA LYS A 96 -7.259 10.191 0.254 1.00 0.00 C ATOM 1451 C LYS A 96 -6.749 11.470 -0.419 1.00 0.00 C ATOM 1452 O LYS A 96 -6.282 11.428 -1.554 1.00 0.00 O ATOM 1453 CB LYS A 96 -8.789 10.123 0.313 1.00 0.00 C ATOM 1454 CG LYS A 96 -9.395 10.038 -1.093 1.00 0.00 C ATOM 1455 CD LYS A 96 -10.896 9.745 -1.003 1.00 0.00 C ATOM 1456 CE LYS A 96 -11.487 9.628 -2.410 1.00 0.00 C ATOM 1457 NZ LYS A 96 -12.918 9.281 -2.365 1.00 0.00 N ATOM 0 H LYS A 96 -7.407 9.868 2.317 1.00 0.00 H new ATOM 0 HA LYS A 96 -6.916 9.363 -0.366 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -9.095 9.255 0.897 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -9.175 11.004 0.826 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -9.231 10.975 -1.625 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -8.897 9.255 -1.665 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -11.063 8.820 -0.451 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -11.399 10.540 -0.453 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -11.356 10.571 -2.941 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -10.944 8.868 -2.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -13.276 9.159 -3.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -13.044 8.395 -1.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -13.445 10.044 -1.894 1.00 0.00 H new ATOM 1471 N GLY A 97 -6.809 12.599 0.292 1.00 0.00 N ATOM 1472 CA GLY A 97 -6.338 13.881 -0.213 1.00 0.00 C ATOM 1473 C GLY A 97 -4.884 13.810 -0.686 1.00 0.00 C ATOM 1474 O GLY A 97 -4.579 14.172 -1.822 1.00 0.00 O ATOM 0 H GLY A 97 -7.188 12.644 1.238 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -6.973 14.201 -1.039 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -6.429 14.635 0.569 1.00 0.00 H new ATOM 1478 N GLN A 98 -3.976 13.335 0.174 1.00 0.00 N ATOM 1479 CA GLN A 98 -2.569 13.228 -0.176 1.00 0.00 C ATOM 1480 C GLN A 98 -2.360 12.268 -1.342 1.00 0.00 C ATOM 1481 O GLN A 98 -1.550 12.542 -2.224 1.00 0.00 O ATOM 1482 CB GLN A 98 -1.748 12.819 1.052 1.00 0.00 C ATOM 1483 CG GLN A 98 -1.667 13.936 2.103 1.00 0.00 C ATOM 1484 CD GLN A 98 -0.975 15.183 1.555 1.00 0.00 C ATOM 1485 OE1 GLN A 98 0.244 15.300 1.614 1.00 0.00 O ATOM 1486 NE2 GLN A 98 -1.748 16.120 1.012 1.00 0.00 N ATOM 0 H GLN A 98 -4.199 13.020 1.118 1.00 0.00 H new ATOM 0 HA GLN A 98 -2.218 14.206 -0.505 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -2.192 11.932 1.503 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -0.741 12.547 0.737 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -2.672 14.195 2.436 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -1.125 13.574 2.977 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -2.759 15.991 0.979 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -1.329 16.967 0.629 1.00 0.00 H new ATOM 1495 N LEU A 99 -3.090 11.153 -1.372 1.00 0.00 N ATOM 1496 CA LEU A 99 -2.971 10.222 -2.479 1.00 0.00 C ATOM 1497 C LEU A 99 -3.401 10.913 -3.776 1.00 0.00 C ATOM 1498 O LEU A 99 -2.656 10.892 -4.753 1.00 0.00 O ATOM 1499 CB LEU A 99 -3.741 8.938 -2.153 1.00 0.00 C ATOM 1500 CG LEU A 99 -3.754 7.886 -3.274 1.00 0.00 C ATOM 1501 CD1 LEU A 99 -2.361 7.519 -3.801 1.00 0.00 C ATOM 1502 CD2 LEU A 99 -4.393 6.615 -2.710 1.00 0.00 C ATOM 0 H LEU A 99 -3.759 10.881 -0.651 1.00 0.00 H new ATOM 0 HA LEU A 99 -1.936 9.917 -2.633 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -3.308 8.489 -1.259 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -4.771 9.201 -1.910 1.00 0.00 H new ATOM 0 HG LEU A 99 -4.307 8.313 -4.110 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -2.455 6.772 -4.589 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -1.877 8.410 -4.202 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -1.759 7.114 -2.987 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -4.418 5.846 -3.483 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -3.808 6.259 -1.862 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -5.410 6.833 -2.383 1.00 0.00 H new ATOM 1514 N LYS A 100 -4.563 11.574 -3.790 1.00 0.00 N ATOM 1515 CA LYS A 100 -5.015 12.314 -4.963 1.00 0.00 C ATOM 1516 C LYS A 100 -3.966 13.352 -5.380 1.00 0.00 C ATOM 1517 O LYS A 100 -3.649 13.460 -6.565 1.00 0.00 O ATOM 1518 CB LYS A 100 -6.383 12.963 -4.711 1.00 0.00 C ATOM 1519 CG LYS A 100 -7.477 11.892 -4.632 1.00 0.00 C ATOM 1520 CD LYS A 100 -8.881 12.476 -4.406 1.00 0.00 C ATOM 1521 CE LYS A 100 -9.384 13.354 -5.560 1.00 0.00 C ATOM 1522 NZ LYS A 100 -9.376 12.635 -6.847 1.00 0.00 N ATOM 0 H LYS A 100 -5.206 11.609 -2.999 1.00 0.00 H new ATOM 0 HA LYS A 100 -5.137 11.612 -5.788 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -6.356 13.534 -3.783 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -6.612 13.667 -5.511 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -7.476 11.312 -5.555 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -7.243 11.202 -3.822 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -9.584 11.657 -4.253 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -8.875 13.066 -3.490 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -10.396 13.694 -5.342 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -8.758 14.243 -5.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -9.847 13.214 -7.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -8.394 12.451 -7.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -9.881 11.732 -6.743 1.00 0.00 H new ATOM 1536 N GLU A 101 -3.414 14.095 -4.415 1.00 0.00 N ATOM 1537 CA GLU A 101 -2.374 15.087 -4.657 1.00 0.00 C ATOM 1538 C GLU A 101 -1.178 14.429 -5.360 1.00 0.00 C ATOM 1539 O GLU A 101 -0.756 14.874 -6.425 1.00 0.00 O ATOM 1540 CB GLU A 101 -1.973 15.740 -3.325 1.00 0.00 C ATOM 1541 CG GLU A 101 -1.047 16.951 -3.508 1.00 0.00 C ATOM 1542 CD GLU A 101 -0.501 17.448 -2.170 1.00 0.00 C ATOM 1543 OE1 GLU A 101 -1.331 17.731 -1.277 1.00 0.00 O ATOM 1544 OE2 GLU A 101 0.742 17.531 -2.059 1.00 0.00 O ATOM 0 H GLU A 101 -3.684 14.020 -3.434 1.00 0.00 H new ATOM 0 HA GLU A 101 -2.748 15.871 -5.316 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -2.872 16.053 -2.795 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -1.475 15.000 -2.699 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -0.218 16.681 -4.162 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -1.592 17.756 -4.001 1.00 0.00 H new ATOM 1551 N PHE A 102 -0.642 13.361 -4.763 1.00 0.00 N ATOM 1552 CA PHE A 102 0.485 12.595 -5.287 1.00 0.00 C ATOM 1553 C PHE A 102 0.205 12.152 -6.725 1.00 0.00 C ATOM 1554 O PHE A 102 1.013 12.370 -7.631 1.00 0.00 O ATOM 1555 CB PHE A 102 0.737 11.392 -4.366 1.00 0.00 C ATOM 1556 CG PHE A 102 1.788 10.408 -4.845 1.00 0.00 C ATOM 1557 CD1 PHE A 102 3.140 10.580 -4.489 1.00 0.00 C ATOM 1558 CD2 PHE A 102 1.399 9.263 -5.567 1.00 0.00 C ATOM 1559 CE1 PHE A 102 4.087 9.595 -4.820 1.00 0.00 C ATOM 1560 CE2 PHE A 102 2.351 8.290 -5.918 1.00 0.00 C ATOM 1561 CZ PHE A 102 3.693 8.450 -5.534 1.00 0.00 C ATOM 0 H PHE A 102 -0.992 12.998 -3.877 1.00 0.00 H new ATOM 0 HA PHE A 102 1.381 13.216 -5.309 1.00 0.00 H new ATOM 0 HB2 PHE A 102 1.034 11.764 -3.385 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -0.203 10.856 -4.233 1.00 0.00 H new ATOM 0 HD1 PHE A 102 3.450 11.470 -3.961 1.00 0.00 H new ATOM 0 HD2 PHE A 102 0.366 9.132 -5.852 1.00 0.00 H new ATOM 0 HE1 PHE A 102 5.119 9.718 -4.525 1.00 0.00 H new ATOM 0 HE2 PHE A 102 2.051 7.420 -6.483 1.00 0.00 H new ATOM 0 HZ PHE A 102 4.421 7.694 -5.787 1.00 0.00 H new ATOM 1571 N LEU A 103 -0.952 11.525 -6.939 1.00 0.00 N ATOM 1572 CA LEU A 103 -1.347 11.046 -8.251 1.00 0.00 C ATOM 1573 C LEU A 103 -1.399 12.196 -9.245 1.00 0.00 C ATOM 1574 O LEU A 103 -0.793 12.104 -10.307 1.00 0.00 O ATOM 1575 CB LEU A 103 -2.693 10.323 -8.161 1.00 0.00 C ATOM 1576 CG LEU A 103 -2.568 9.018 -7.370 1.00 0.00 C ATOM 1577 CD1 LEU A 103 -3.962 8.445 -7.117 1.00 0.00 C ATOM 1578 CD2 LEU A 103 -1.659 8.013 -8.083 1.00 0.00 C ATOM 0 H LEU A 103 -1.636 11.338 -6.206 1.00 0.00 H new ATOM 0 HA LEU A 103 -0.603 10.334 -8.609 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -3.426 10.972 -7.683 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -3.062 10.110 -9.164 1.00 0.00 H new ATOM 0 HG LEU A 103 -2.097 9.228 -6.410 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -3.877 7.516 -6.554 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -4.552 9.162 -6.546 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -4.453 8.248 -8.070 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -1.594 7.099 -7.493 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -2.072 7.782 -9.065 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -0.664 8.442 -8.199 1.00 0.00 H new ATOM 1590 N ASP A 104 -2.090 13.284 -8.903 1.00 0.00 N ATOM 1591 CA ASP A 104 -2.175 14.452 -9.769 1.00 0.00 C ATOM 1592 C ASP A 104 -0.773 14.950 -10.122 1.00 0.00 C ATOM 1593 O ASP A 104 -0.466 15.147 -11.295 1.00 0.00 O ATOM 1594 CB ASP A 104 -3.003 15.549 -9.094 1.00 0.00 C ATOM 1595 CG ASP A 104 -3.082 16.784 -9.984 1.00 0.00 C ATOM 1596 OD1 ASP A 104 -3.933 16.765 -10.899 1.00 0.00 O ATOM 1597 OD2 ASP A 104 -2.287 17.715 -9.738 1.00 0.00 O ATOM 0 H ASP A 104 -2.601 13.377 -8.025 1.00 0.00 H new ATOM 0 HA ASP A 104 -2.676 14.175 -10.697 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -4.007 15.179 -8.886 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -2.556 15.812 -8.136 1.00 0.00 H new ATOM 1602 N ALA A 105 0.080 15.125 -9.111 1.00 0.00 N ATOM 1603 CA ALA A 105 1.453 15.572 -9.288 1.00 0.00 C ATOM 1604 C ALA A 105 2.222 14.663 -10.250 1.00 0.00 C ATOM 1605 O ALA A 105 3.032 15.148 -11.037 1.00 0.00 O ATOM 1606 CB ALA A 105 2.152 15.660 -7.928 1.00 0.00 C ATOM 0 H ALA A 105 -0.171 14.957 -8.137 1.00 0.00 H new ATOM 0 HA ALA A 105 1.435 16.565 -9.737 1.00 0.00 H new ATOM 0 HB1 ALA A 105 3.180 15.995 -8.068 1.00 0.00 H new ATOM 0 HB2 ALA A 105 1.622 16.369 -7.292 1.00 0.00 H new ATOM 0 HB3 ALA A 105 2.152 14.678 -7.455 1.00 0.00 H new ATOM 1612 N ASN A 106 1.968 13.351 -10.210 1.00 0.00 N ATOM 1613 CA ASN A 106 2.664 12.410 -11.081 1.00 0.00 C ATOM 1614 C ASN A 106 2.078 12.452 -12.488 1.00 0.00 C ATOM 1615 O ASN A 106 2.826 12.515 -13.462 1.00 0.00 O ATOM 1616 CB ASN A 106 2.561 10.977 -10.545 1.00 0.00 C ATOM 1617 CG ASN A 106 3.636 10.667 -9.515 1.00 0.00 C ATOM 1618 OD1 ASN A 106 4.655 10.077 -9.853 1.00 0.00 O ATOM 1619 ND2 ASN A 106 3.415 11.036 -8.257 1.00 0.00 N ATOM 0 H ASN A 106 1.287 12.921 -9.584 1.00 0.00 H new ATOM 0 HA ASN A 106 3.713 12.706 -11.108 1.00 0.00 H new ATOM 0 HB2 ASN A 106 1.578 10.829 -10.097 1.00 0.00 H new ATOM 0 HB3 ASN A 106 2.642 10.275 -11.374 1.00 0.00 H new ATOM 0 HD21 ASN A 106 4.106 10.829 -7.536 1.00 0.00 H new ATOM 0 HD22 ASN A 106 2.554 11.526 -8.013 1.00 0.00 H new ATOM 1626 N LEU A 107 0.751 12.406 -12.617 1.00 0.00 N ATOM 1627 CA LEU A 107 0.074 12.432 -13.904 1.00 0.00 C ATOM 1628 C LEU A 107 0.438 13.720 -14.648 1.00 0.00 C ATOM 1629 O LEU A 107 0.752 13.687 -15.836 1.00 0.00 O ATOM 1630 CB LEU A 107 -1.440 12.317 -13.679 1.00 0.00 C ATOM 1631 CG LEU A 107 -1.877 10.930 -13.172 1.00 0.00 C ATOM 1632 CD1 LEU A 107 -3.293 11.019 -12.589 1.00 0.00 C ATOM 1633 CD2 LEU A 107 -1.861 9.885 -14.296 1.00 0.00 C ATOM 0 H LEU A 107 0.115 12.349 -11.821 1.00 0.00 H new ATOM 0 HA LEU A 107 0.393 11.590 -14.518 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -1.752 13.074 -12.959 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -1.957 12.534 -14.614 1.00 0.00 H new ATOM 0 HG LEU A 107 -1.169 10.617 -12.405 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -3.601 10.037 -12.231 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -3.301 11.727 -11.760 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -3.984 11.357 -13.361 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -2.175 8.919 -13.900 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -2.544 10.192 -15.088 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -0.852 9.800 -14.700 1.00 0.00 H new ATOM 1645 N ALA A 108 0.420 14.856 -13.947 1.00 0.00 N ATOM 1646 CA ALA A 108 0.790 16.142 -14.516 1.00 0.00 C ATOM 1647 C ALA A 108 2.236 16.091 -15.008 1.00 0.00 C ATOM 1648 O ALA A 108 2.744 17.071 -15.551 1.00 0.00 O ATOM 1649 CB ALA A 108 0.598 17.240 -13.464 1.00 0.00 C ATOM 0 H ALA A 108 0.146 14.904 -12.966 1.00 0.00 H new ATOM 0 HA ALA A 108 0.151 16.369 -15.369 1.00 0.00 H new ATOM 0 HB1 ALA A 108 0.875 18.204 -13.890 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -0.446 17.267 -13.153 1.00 0.00 H new ATOM 0 HB3 ALA A 108 1.228 17.030 -12.600 1.00 0.00 H new TER 1655 ALA A 108