USER MOD reduce.3.24.130724 H: found=0, std=0, add=731, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 731 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 62 TYR OH : rot 45:sc= 1.31 USER MOD Set 1.2: A 91 HIS : no HD1:sc= 1.03 K(o=2.3,f=-2.6) USER MOD Set 2.1: A 55 ASN : amide:sc= 0.0181 X(o=0.13,f=0) USER MOD Set 2.2: A 56 SER OG : rot -139:sc= 0.116 USER MOD Set 3.1: A 8 HIS : no HD1:sc= 1.1 K(o=2.3,f=-3.6!) USER MOD Set 3.2: A 9 SER OG : rot -108:sc= 1.22 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -115:sc= 0.015 (180deg=-0.029) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=-0.01) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 6 HIS : no HE2:sc= 1.26 K(o=1.3,f=-3.8!) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 10 HIS : no HE2:sc= 0.808 K(o=0.81,f=-6!) USER MOD Single : A 14 SER OG : rot 46:sc= 0.222 USER MOD Single : A 16 HIS : no HD1:sc= -0.0434 X(o=-0.043,f=-0.0056) USER MOD Single : A 18 HIS : no HD1:sc= 0 X(o=0,f=-0.0067) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 23 ASN : amide:sc= 0 K(o=0,f=-2.5!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot -28:sc= 0.256 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0.0226 USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 MET CE :methyl -104:sc= -1.13 (180deg=-1.55) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ -151:sc= -2.02! (180deg=-3.73!) USER MOD Single : A 45 LYS NZ :NH3+ 159:sc= -0.0993 (180deg=-0.543) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 CYS SG : rot 2:sc= -1.17 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 57 MET CE :methyl 163:sc= -0.134 (180deg=-0.726) USER MOD Single : A 65 SER OG : rot 96:sc= 1.34 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot 180:sc= -0.166 USER MOD Single : A 76 SER OG : rot -5:sc= 0.217 USER MOD Single : A 83 SER OG : rot 167:sc= 1.19 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 5.140 -0.062 -36.302 1.00 65.44 N ATOM 2 CA MET A 1 6.196 -0.964 -36.816 1.00 31.13 C ATOM 3 C MET A 1 7.178 -1.310 -35.706 1.00 54.25 C ATOM 4 O MET A 1 7.463 -0.484 -34.834 1.00 10.41 O ATOM 5 CB MET A 1 6.935 -0.321 -37.992 1.00 42.10 C ATOM 6 CG MET A 1 6.084 -0.190 -39.245 1.00 30.03 C ATOM 7 SD MET A 1 6.987 0.513 -40.638 1.00 12.04 S ATOM 8 CE MET A 1 5.734 0.449 -41.918 1.00 52.53 C ATOM 0 H1 MET A 1 4.221 -0.548 -36.338 1.00 65.44 H new ATOM 0 H2 MET A 1 5.355 0.200 -35.319 1.00 65.44 H new ATOM 0 H3 MET A 1 5.101 0.796 -36.888 1.00 65.44 H new ATOM 0 HA MET A 1 5.722 -1.880 -37.168 1.00 31.13 H new ATOM 0 HB2 MET A 1 7.284 0.668 -37.694 1.00 42.10 H new ATOM 0 HB3 MET A 1 7.819 -0.915 -38.223 1.00 42.10 H new ATOM 0 HG2 MET A 1 5.704 -1.173 -39.524 1.00 30.03 H new ATOM 0 HG3 MET A 1 5.219 0.436 -39.026 1.00 30.03 H new ATOM 0 HE1 MET A 1 6.141 0.851 -42.846 1.00 52.53 H new ATOM 0 HE2 MET A 1 5.426 -0.585 -42.075 1.00 52.53 H new ATOM 0 HE3 MET A 1 4.872 1.042 -41.613 1.00 52.53 H new ATOM 20 N GLY A 2 7.672 -2.536 -35.728 1.00 12.00 N ATOM 21 CA GLY A 2 8.578 -2.987 -34.699 1.00 30.04 C ATOM 22 C GLY A 2 7.834 -3.641 -33.557 1.00 52.13 C ATOM 23 O GLY A 2 6.672 -4.022 -33.703 1.00 73.22 O ATOM 0 H GLY A 2 7.459 -3.230 -36.445 1.00 12.00 H new ATOM 0 HA2 GLY A 2 9.290 -3.694 -35.124 1.00 30.04 H new ATOM 0 HA3 GLY A 2 9.154 -2.141 -34.323 1.00 30.04 H new ATOM 27 N HIS A 3 8.483 -3.760 -32.415 1.00 21.14 N ATOM 28 CA HIS A 3 7.855 -4.366 -31.250 1.00 72.01 C ATOM 29 C HIS A 3 8.211 -3.593 -29.989 1.00 2.23 C ATOM 30 O HIS A 3 9.387 -3.364 -29.703 1.00 53.12 O ATOM 31 CB HIS A 3 8.282 -5.831 -31.122 1.00 3.41 C ATOM 32 CG HIS A 3 7.705 -6.544 -29.933 1.00 43.05 C ATOM 33 ND1 HIS A 3 8.481 -7.194 -29.005 1.00 3.33 N ATOM 34 CD2 HIS A 3 6.422 -6.728 -29.542 1.00 21.12 C ATOM 35 CE1 HIS A 3 7.705 -7.749 -28.094 1.00 3.11 C ATOM 36 NE2 HIS A 3 6.444 -7.483 -28.394 1.00 71.22 N ATOM 0 H HIS A 3 9.442 -3.447 -32.266 1.00 21.14 H new ATOM 0 HA HIS A 3 6.773 -4.329 -31.378 1.00 72.01 H new ATOM 0 HB2 HIS A 3 7.988 -6.363 -32.027 1.00 3.41 H new ATOM 0 HB3 HIS A 3 9.370 -5.876 -31.065 1.00 3.41 H new ATOM 0 HD2 HIS A 3 5.542 -6.350 -30.041 1.00 21.12 H new ATOM 0 HE1 HIS A 3 8.043 -8.325 -27.245 1.00 3.11 H new ATOM 0 HE2 HIS A 3 5.627 -7.787 -27.864 1.00 71.22 H new ATOM 45 N HIS A 4 7.189 -3.183 -29.247 1.00 42.04 N ATOM 46 CA HIS A 4 7.397 -2.478 -27.988 1.00 72.41 C ATOM 47 C HIS A 4 7.899 -3.444 -26.928 1.00 44.42 C ATOM 48 O HIS A 4 7.160 -4.325 -26.482 1.00 44.14 O ATOM 49 CB HIS A 4 6.097 -1.827 -27.497 1.00 51.24 C ATOM 50 CG HIS A 4 5.539 -0.789 -28.419 1.00 63.12 C ATOM 51 ND1 HIS A 4 4.566 -1.064 -29.353 1.00 42.31 N ATOM 52 CD2 HIS A 4 5.798 0.532 -28.528 1.00 30.02 C ATOM 53 CE1 HIS A 4 4.252 0.042 -29.996 1.00 73.31 C ATOM 54 NE2 HIS A 4 4.985 1.029 -29.517 1.00 0.45 N ATOM 0 H HIS A 4 6.210 -3.326 -29.495 1.00 42.04 H new ATOM 0 HA HIS A 4 8.138 -1.697 -28.161 1.00 72.41 H new ATOM 0 HB2 HIS A 4 5.348 -2.605 -27.350 1.00 51.24 H new ATOM 0 HB3 HIS A 4 6.278 -1.371 -26.524 1.00 51.24 H new ATOM 0 HD2 HIS A 4 6.513 1.094 -27.945 1.00 30.02 H new ATOM 0 HE1 HIS A 4 3.518 0.127 -30.783 1.00 73.31 H new ATOM 0 HE2 HIS A 4 4.953 2.000 -29.829 1.00 0.45 H new ATOM 63 N HIS A 5 9.152 -3.293 -26.534 1.00 15.30 N ATOM 64 CA HIS A 5 9.715 -4.134 -25.492 1.00 4.44 C ATOM 65 C HIS A 5 9.060 -3.810 -24.157 1.00 42.10 C ATOM 66 O HIS A 5 9.037 -2.653 -23.730 1.00 13.54 O ATOM 67 CB HIS A 5 11.232 -3.949 -25.394 1.00 1.25 C ATOM 68 CG HIS A 5 11.871 -4.799 -24.333 1.00 32.50 C ATOM 69 ND1 HIS A 5 12.058 -4.371 -23.034 1.00 12.12 N ATOM 70 CD2 HIS A 5 12.354 -6.065 -24.381 1.00 11.11 C ATOM 71 CE1 HIS A 5 12.627 -5.332 -22.334 1.00 24.44 C ATOM 72 NE2 HIS A 5 12.817 -6.369 -23.126 1.00 44.03 N ATOM 0 H HIS A 5 9.795 -2.600 -26.917 1.00 15.30 H new ATOM 0 HA HIS A 5 9.518 -5.175 -25.747 1.00 4.44 H new ATOM 0 HB2 HIS A 5 11.682 -4.186 -26.358 1.00 1.25 H new ATOM 0 HB3 HIS A 5 11.450 -2.901 -25.189 1.00 1.25 H new ATOM 0 HD2 HIS A 5 12.371 -6.713 -25.245 1.00 11.11 H new ATOM 0 HE1 HIS A 5 12.893 -5.279 -21.289 1.00 24.44 H new ATOM 0 HE2 HIS A 5 13.240 -7.255 -22.850 1.00 44.03 H new ATOM 81 N HIS A 6 8.516 -4.829 -23.515 1.00 62.24 N ATOM 82 CA HIS A 6 7.902 -4.671 -22.208 1.00 51.15 C ATOM 83 C HIS A 6 7.852 -6.021 -21.509 1.00 21.44 C ATOM 84 O HIS A 6 8.453 -6.986 -21.982 1.00 53.15 O ATOM 85 CB HIS A 6 6.500 -4.047 -22.333 1.00 14.21 C ATOM 86 CG HIS A 6 5.489 -4.892 -23.054 1.00 60.31 C ATOM 87 ND1 HIS A 6 5.456 -5.028 -24.425 1.00 21.21 N ATOM 88 CD2 HIS A 6 4.457 -5.627 -22.579 1.00 32.30 C ATOM 89 CE1 HIS A 6 4.446 -5.807 -24.762 1.00 15.12 C ATOM 90 NE2 HIS A 6 3.825 -6.183 -23.662 1.00 55.14 N ATOM 0 H HIS A 6 8.487 -5.781 -23.881 1.00 62.24 H new ATOM 0 HA HIS A 6 8.503 -3.989 -21.606 1.00 51.15 H new ATOM 0 HB2 HIS A 6 6.124 -3.832 -21.333 1.00 14.21 H new ATOM 0 HB3 HIS A 6 6.589 -3.092 -22.852 1.00 14.21 H new ATOM 0 HD1 HIS A 6 6.110 -4.594 -25.077 1.00 21.21 H new ATOM 0 HD2 HIS A 6 4.182 -5.752 -21.542 1.00 32.30 H new ATOM 0 HE1 HIS A 6 4.174 -6.089 -25.769 1.00 15.12 H new ATOM 99 N HIS A 7 7.157 -6.094 -20.389 1.00 21.14 N ATOM 100 CA HIS A 7 7.098 -7.325 -19.621 1.00 23.31 C ATOM 101 C HIS A 7 6.066 -8.281 -20.198 1.00 44.24 C ATOM 102 O HIS A 7 4.876 -7.973 -20.255 1.00 72.01 O ATOM 103 CB HIS A 7 6.792 -7.037 -18.149 1.00 55.13 C ATOM 104 CG HIS A 7 7.923 -6.364 -17.439 1.00 22.44 C ATOM 105 ND1 HIS A 7 7.843 -5.093 -16.909 1.00 10.01 N ATOM 106 CD2 HIS A 7 9.176 -6.801 -17.175 1.00 33.01 C ATOM 107 CE1 HIS A 7 8.999 -4.780 -16.355 1.00 4.53 C ATOM 108 NE2 HIS A 7 9.824 -5.798 -16.501 1.00 44.10 N ATOM 0 H HIS A 7 6.627 -5.319 -19.991 1.00 21.14 H new ATOM 0 HA HIS A 7 8.077 -7.801 -19.683 1.00 23.31 H new ATOM 0 HB2 HIS A 7 5.904 -6.408 -18.084 1.00 55.13 H new ATOM 0 HB3 HIS A 7 6.558 -7.973 -17.642 1.00 55.13 H new ATOM 0 HD2 HIS A 7 9.589 -7.762 -17.445 1.00 33.01 H new ATOM 0 HE1 HIS A 7 9.231 -3.846 -15.864 1.00 4.53 H new ATOM 0 HE2 HIS A 7 10.787 -5.834 -16.167 1.00 44.10 H new ATOM 117 N HIS A 8 6.542 -9.437 -20.631 1.00 33.14 N ATOM 118 CA HIS A 8 5.675 -10.477 -21.162 1.00 5.11 C ATOM 119 C HIS A 8 4.892 -11.125 -20.031 1.00 74.15 C ATOM 120 O HIS A 8 3.697 -11.393 -20.154 1.00 33.44 O ATOM 121 CB HIS A 8 6.512 -11.531 -21.905 1.00 11.23 C ATOM 122 CG HIS A 8 5.748 -12.763 -22.299 1.00 35.13 C ATOM 123 ND1 HIS A 8 5.813 -13.942 -21.589 1.00 22.33 N ATOM 124 CD2 HIS A 8 4.903 -12.998 -23.332 1.00 63.32 C ATOM 125 CE1 HIS A 8 5.046 -14.846 -22.167 1.00 21.13 C ATOM 126 NE2 HIS A 8 4.485 -14.300 -23.224 1.00 13.23 N ATOM 0 H HIS A 8 7.533 -9.680 -20.625 1.00 33.14 H new ATOM 0 HA HIS A 8 4.972 -10.031 -21.865 1.00 5.11 H new ATOM 0 HB2 HIS A 8 6.933 -11.077 -22.802 1.00 11.23 H new ATOM 0 HB3 HIS A 8 7.350 -11.824 -21.272 1.00 11.23 H new ATOM 0 HD2 HIS A 8 4.613 -12.293 -24.097 1.00 63.32 H new ATOM 0 HE1 HIS A 8 4.903 -15.862 -21.830 1.00 21.13 H new ATOM 0 HE2 HIS A 8 3.842 -14.770 -23.861 1.00 13.23 H new ATOM 135 N SER A 9 5.579 -11.377 -18.927 1.00 63.32 N ATOM 136 CA SER A 9 4.973 -12.035 -17.785 1.00 14.10 C ATOM 137 C SER A 9 5.840 -11.881 -16.540 1.00 74.40 C ATOM 138 O SER A 9 7.055 -12.084 -16.587 1.00 41.51 O ATOM 139 CB SER A 9 4.758 -13.516 -18.105 1.00 34.43 C ATOM 140 OG SER A 9 5.877 -14.054 -18.795 1.00 54.00 O ATOM 0 H SER A 9 6.561 -11.133 -18.800 1.00 63.32 H new ATOM 0 HA SER A 9 4.011 -11.565 -17.580 1.00 14.10 H new ATOM 0 HB2 SER A 9 4.594 -14.071 -17.182 1.00 34.43 H new ATOM 0 HB3 SER A 9 3.860 -13.634 -18.712 1.00 34.43 H new ATOM 0 HG SER A 9 5.636 -14.219 -19.730 1.00 54.00 H new ATOM 146 N HIS A 10 5.216 -11.494 -15.437 1.00 1.03 N ATOM 147 CA HIS A 10 5.902 -11.425 -14.155 1.00 4.31 C ATOM 148 C HIS A 10 4.903 -11.661 -13.028 1.00 2.14 C ATOM 149 O HIS A 10 4.755 -12.790 -12.566 1.00 52.52 O ATOM 150 CB HIS A 10 6.619 -10.079 -13.983 1.00 63.13 C ATOM 151 CG HIS A 10 8.042 -10.222 -13.532 1.00 41.23 C ATOM 152 ND1 HIS A 10 8.442 -10.092 -12.221 1.00 54.13 N ATOM 153 CD2 HIS A 10 9.167 -10.490 -14.239 1.00 30.14 C ATOM 154 CE1 HIS A 10 9.746 -10.271 -12.139 1.00 5.32 C ATOM 155 NE2 HIS A 10 10.210 -10.513 -13.347 1.00 44.21 N ATOM 0 H HIS A 10 4.233 -11.222 -15.404 1.00 1.03 H new ATOM 0 HA HIS A 10 6.663 -12.204 -14.121 1.00 4.31 H new ATOM 0 HB2 HIS A 10 6.597 -9.539 -14.930 1.00 63.13 H new ATOM 0 HB3 HIS A 10 6.074 -9.474 -13.258 1.00 63.13 H new ATOM 0 HD1 HIS A 10 7.825 -9.889 -11.435 1.00 54.13 H new ATOM 0 HD2 HIS A 10 9.231 -10.655 -15.304 1.00 30.14 H new ATOM 0 HE1 HIS A 10 10.334 -10.227 -11.234 1.00 5.32 H new ATOM 164 N GLY A 11 4.188 -10.602 -12.635 1.00 42.45 N ATOM 165 CA GLY A 11 3.175 -10.706 -11.592 1.00 73.23 C ATOM 166 C GLY A 11 3.652 -11.466 -10.370 1.00 2.41 C ATOM 167 O GLY A 11 3.165 -12.563 -10.096 1.00 72.24 O ATOM 0 H GLY A 11 4.295 -9.666 -13.026 1.00 42.45 H new ATOM 0 HA2 GLY A 11 2.868 -9.704 -11.292 1.00 73.23 H new ATOM 0 HA3 GLY A 11 2.293 -11.201 -11.999 1.00 73.23 H new ATOM 171 N ASP A 12 4.595 -10.885 -9.640 1.00 54.31 N ATOM 172 CA ASP A 12 5.196 -11.540 -8.481 1.00 71.01 C ATOM 173 C ASP A 12 4.225 -11.571 -7.306 1.00 61.25 C ATOM 174 O ASP A 12 4.345 -10.766 -6.384 1.00 23.33 O ATOM 175 CB ASP A 12 6.472 -10.810 -8.057 1.00 32.21 C ATOM 176 CG ASP A 12 7.414 -10.564 -9.213 1.00 63.50 C ATOM 177 OD1 ASP A 12 7.154 -9.631 -10.007 1.00 11.02 O ATOM 178 OD2 ASP A 12 8.411 -11.302 -9.344 1.00 24.21 O ATOM 0 H ASP A 12 4.964 -9.953 -9.831 1.00 54.31 H new ATOM 0 HA ASP A 12 5.438 -12.563 -8.768 1.00 71.01 H new ATOM 0 HB2 ASP A 12 6.206 -9.856 -7.601 1.00 32.21 H new ATOM 0 HB3 ASP A 12 6.985 -11.396 -7.294 1.00 32.21 H new ATOM 183 N ASP A 13 3.264 -12.496 -7.366 1.00 31.21 N ATOM 184 CA ASP A 13 2.211 -12.621 -6.352 1.00 21.34 C ATOM 185 C ASP A 13 1.590 -11.269 -6.033 1.00 3.05 C ATOM 186 O ASP A 13 1.918 -10.637 -5.030 1.00 11.12 O ATOM 187 CB ASP A 13 2.732 -13.284 -5.075 1.00 3.24 C ATOM 188 CG ASP A 13 2.721 -14.792 -5.161 1.00 63.30 C ATOM 189 OD1 ASP A 13 1.687 -15.399 -4.815 1.00 24.24 O ATOM 190 OD2 ASP A 13 3.743 -15.379 -5.570 1.00 11.40 O ATOM 0 H ASP A 13 3.193 -13.180 -8.119 1.00 31.21 H new ATOM 0 HA ASP A 13 1.438 -13.264 -6.772 1.00 21.34 H new ATOM 0 HB2 ASP A 13 3.748 -12.942 -4.880 1.00 3.24 H new ATOM 0 HB3 ASP A 13 2.121 -12.967 -4.230 1.00 3.24 H new ATOM 195 N SER A 14 0.694 -10.833 -6.902 1.00 1.33 N ATOM 196 CA SER A 14 0.107 -9.510 -6.796 1.00 73.32 C ATOM 197 C SER A 14 -0.763 -9.376 -5.547 1.00 13.43 C ATOM 198 O SER A 14 -1.909 -9.827 -5.520 1.00 24.23 O ATOM 199 CB SER A 14 -0.701 -9.190 -8.061 1.00 23.23 C ATOM 200 OG SER A 14 -1.634 -10.220 -8.366 1.00 62.24 O ATOM 0 H SER A 14 0.356 -11.381 -7.693 1.00 1.33 H new ATOM 0 HA SER A 14 0.918 -8.788 -6.702 1.00 73.32 H new ATOM 0 HB2 SER A 14 -1.231 -8.248 -7.925 1.00 23.23 H new ATOM 0 HB3 SER A 14 -0.021 -9.055 -8.902 1.00 23.23 H new ATOM 0 HG SER A 14 -2.116 -10.477 -7.552 1.00 62.24 H new ATOM 206 N VAL A 15 -0.198 -8.790 -4.501 1.00 62.14 N ATOM 207 CA VAL A 15 -0.973 -8.460 -3.319 1.00 14.41 C ATOM 208 C VAL A 15 -1.827 -7.235 -3.603 1.00 53.20 C ATOM 209 O VAL A 15 -1.376 -6.292 -4.255 1.00 43.21 O ATOM 210 CB VAL A 15 -0.086 -8.211 -2.077 1.00 31.15 C ATOM 211 CG1 VAL A 15 0.673 -9.475 -1.708 1.00 61.40 C ATOM 212 CG2 VAL A 15 0.882 -7.056 -2.304 1.00 64.52 C ATOM 0 H VAL A 15 0.788 -8.536 -4.449 1.00 62.14 H new ATOM 0 HA VAL A 15 -1.606 -9.317 -3.089 1.00 14.41 H new ATOM 0 HB VAL A 15 -0.740 -7.937 -1.249 1.00 31.15 H new ATOM 0 HG11 VAL A 15 1.293 -9.284 -0.832 1.00 61.40 H new ATOM 0 HG12 VAL A 15 -0.035 -10.273 -1.485 1.00 61.40 H new ATOM 0 HG13 VAL A 15 1.307 -9.776 -2.542 1.00 61.40 H new ATOM 0 HG21 VAL A 15 1.489 -6.909 -1.411 1.00 64.52 H new ATOM 0 HG22 VAL A 15 1.530 -7.285 -3.150 1.00 64.52 H new ATOM 0 HG23 VAL A 15 0.320 -6.146 -2.514 1.00 64.52 H new ATOM 222 N HIS A 16 -3.069 -7.262 -3.153 1.00 51.23 N ATOM 223 CA HIS A 16 -3.990 -6.175 -3.433 1.00 71.24 C ATOM 224 C HIS A 16 -4.069 -5.210 -2.262 1.00 32.15 C ATOM 225 O HIS A 16 -4.790 -5.445 -1.292 1.00 31.43 O ATOM 226 CB HIS A 16 -5.380 -6.715 -3.783 1.00 42.34 C ATOM 227 CG HIS A 16 -5.456 -7.298 -5.156 1.00 61.34 C ATOM 228 ND1 HIS A 16 -6.053 -8.506 -5.435 1.00 5.41 N ATOM 229 CD2 HIS A 16 -5.017 -6.817 -6.341 1.00 40.02 C ATOM 230 CE1 HIS A 16 -5.975 -8.741 -6.732 1.00 11.23 C ATOM 231 NE2 HIS A 16 -5.354 -7.730 -7.306 1.00 25.23 N ATOM 0 H HIS A 16 -3.461 -8.020 -2.595 1.00 51.23 H new ATOM 0 HA HIS A 16 -3.609 -5.628 -4.295 1.00 71.24 H new ATOM 0 HB2 HIS A 16 -5.660 -7.477 -3.056 1.00 42.34 H new ATOM 0 HB3 HIS A 16 -6.108 -5.909 -3.697 1.00 42.34 H new ATOM 0 HD2 HIS A 16 -4.496 -5.884 -6.498 1.00 40.02 H new ATOM 0 HE1 HIS A 16 -6.356 -9.616 -7.238 1.00 11.23 H new ATOM 0 HE2 HIS A 16 -5.157 -7.642 -8.303 1.00 25.23 H new ATOM 240 N LEU A 17 -3.305 -4.134 -2.357 1.00 42.33 N ATOM 241 CA LEU A 17 -3.306 -3.099 -1.341 1.00 64.25 C ATOM 242 C LEU A 17 -4.277 -2.003 -1.742 1.00 62.40 C ATOM 243 O LEU A 17 -4.069 -1.307 -2.735 1.00 62.44 O ATOM 244 CB LEU A 17 -1.899 -2.520 -1.162 1.00 32.14 C ATOM 245 CG LEU A 17 -0.824 -3.534 -0.766 1.00 74.05 C ATOM 246 CD1 LEU A 17 0.525 -2.847 -0.641 1.00 13.44 C ATOM 247 CD2 LEU A 17 -1.191 -4.227 0.538 1.00 43.34 C ATOM 0 H LEU A 17 -2.671 -3.956 -3.136 1.00 42.33 H new ATOM 0 HA LEU A 17 -3.619 -3.532 -0.391 1.00 64.25 H new ATOM 0 HB2 LEU A 17 -1.599 -2.041 -2.094 1.00 32.14 H new ATOM 0 HB3 LEU A 17 -1.938 -1.740 -0.402 1.00 32.14 H new ATOM 0 HG LEU A 17 -0.760 -4.291 -1.547 1.00 74.05 H new ATOM 0 HD11 LEU A 17 1.281 -3.579 -0.359 1.00 13.44 H new ATOM 0 HD12 LEU A 17 0.794 -2.397 -1.597 1.00 13.44 H new ATOM 0 HD13 LEU A 17 0.469 -2.071 0.122 1.00 13.44 H new ATOM 0 HD21 LEU A 17 -0.413 -4.944 0.801 1.00 43.34 H new ATOM 0 HD22 LEU A 17 -1.283 -3.485 1.331 1.00 43.34 H new ATOM 0 HD23 LEU A 17 -2.140 -4.750 0.418 1.00 43.34 H new ATOM 259 N HIS A 18 -5.351 -1.869 -0.987 1.00 54.12 N ATOM 260 CA HIS A 18 -6.370 -0.884 -1.307 1.00 13.45 C ATOM 261 C HIS A 18 -6.007 0.463 -0.705 1.00 51.40 C ATOM 262 O HIS A 18 -5.891 0.606 0.516 1.00 63.34 O ATOM 263 CB HIS A 18 -7.749 -1.347 -0.827 1.00 41.51 C ATOM 264 CG HIS A 18 -8.253 -2.566 -1.542 1.00 44.41 C ATOM 265 ND1 HIS A 18 -9.270 -2.529 -2.471 1.00 23.42 N ATOM 266 CD2 HIS A 18 -7.877 -3.868 -1.456 1.00 71.41 C ATOM 267 CE1 HIS A 18 -9.497 -3.748 -2.923 1.00 41.31 C ATOM 268 NE2 HIS A 18 -8.666 -4.578 -2.325 1.00 51.25 N ATOM 0 H HIS A 18 -5.541 -2.425 -0.153 1.00 54.12 H new ATOM 0 HA HIS A 18 -6.417 -0.775 -2.391 1.00 13.45 H new ATOM 0 HB2 HIS A 18 -7.702 -1.556 0.242 1.00 41.51 H new ATOM 0 HB3 HIS A 18 -8.463 -0.535 -0.962 1.00 41.51 H new ATOM 0 HD2 HIS A 18 -7.101 -4.270 -0.821 1.00 71.41 H new ATOM 0 HE1 HIS A 18 -10.239 -4.020 -3.659 1.00 41.31 H new ATOM 0 HE2 HIS A 18 -8.617 -5.585 -2.483 1.00 51.25 H new ATOM 277 N ILE A 19 -5.809 1.440 -1.575 1.00 22.02 N ATOM 278 CA ILE A 19 -5.386 2.768 -1.168 1.00 64.12 C ATOM 279 C ILE A 19 -6.593 3.680 -0.997 1.00 53.54 C ATOM 280 O ILE A 19 -7.448 3.764 -1.879 1.00 54.31 O ATOM 281 CB ILE A 19 -4.431 3.396 -2.212 1.00 43.43 C ATOM 282 CG1 ILE A 19 -3.280 2.440 -2.541 1.00 12.25 C ATOM 283 CG2 ILE A 19 -3.891 4.729 -1.711 1.00 73.11 C ATOM 284 CD1 ILE A 19 -2.411 2.097 -1.353 1.00 34.31 C ATOM 0 H ILE A 19 -5.937 1.334 -2.581 1.00 22.02 H new ATOM 0 HA ILE A 19 -4.860 2.667 -0.219 1.00 64.12 H new ATOM 0 HB ILE A 19 -4.998 3.575 -3.126 1.00 43.43 H new ATOM 0 HG12 ILE A 19 -3.692 1.520 -2.955 1.00 12.25 H new ATOM 0 HG13 ILE A 19 -2.658 2.888 -3.316 1.00 12.25 H new ATOM 0 HG21 ILE A 19 -3.222 5.155 -2.459 1.00 73.11 H new ATOM 0 HG22 ILE A 19 -4.720 5.414 -1.534 1.00 73.11 H new ATOM 0 HG23 ILE A 19 -3.344 4.574 -0.781 1.00 73.11 H new ATOM 0 HD11 ILE A 19 -1.619 1.416 -1.666 1.00 34.31 H new ATOM 0 HD12 ILE A 19 -1.968 3.008 -0.951 1.00 34.31 H new ATOM 0 HD13 ILE A 19 -3.018 1.619 -0.584 1.00 34.31 H new ATOM 296 N THR A 20 -6.668 4.346 0.144 1.00 43.43 N ATOM 297 CA THR A 20 -7.736 5.291 0.405 1.00 23.24 C ATOM 298 C THR A 20 -7.160 6.612 0.913 1.00 2.44 C ATOM 299 O THR A 20 -6.416 6.642 1.893 1.00 43.24 O ATOM 300 CB THR A 20 -8.733 4.719 1.432 1.00 50.11 C ATOM 301 OG1 THR A 20 -9.150 3.408 1.018 1.00 42.45 O ATOM 302 CG2 THR A 20 -9.952 5.622 1.573 1.00 4.41 C ATOM 0 H THR A 20 -5.997 4.247 0.906 1.00 43.43 H new ATOM 0 HA THR A 20 -8.268 5.472 -0.529 1.00 23.24 H new ATOM 0 HB THR A 20 -8.235 4.661 2.400 1.00 50.11 H new ATOM 0 HG1 THR A 20 -9.783 3.044 1.672 1.00 42.45 H new ATOM 0 HG21 THR A 20 -10.639 5.195 2.304 1.00 4.41 H new ATOM 0 HG22 THR A 20 -9.636 6.610 1.907 1.00 4.41 H new ATOM 0 HG23 THR A 20 -10.455 5.708 0.610 1.00 4.41 H new ATOM 310 N HIS A 21 -7.490 7.700 0.227 1.00 53.33 N ATOM 311 CA HIS A 21 -6.988 9.018 0.596 1.00 44.51 C ATOM 312 C HIS A 21 -8.015 9.764 1.439 1.00 73.55 C ATOM 313 O HIS A 21 -9.201 9.733 1.142 1.00 31.40 O ATOM 314 CB HIS A 21 -6.663 9.840 -0.655 1.00 15.12 C ATOM 315 CG HIS A 21 -5.200 10.106 -0.849 1.00 44.25 C ATOM 316 ND1 HIS A 21 -4.605 11.308 -0.526 1.00 53.33 N ATOM 317 CD2 HIS A 21 -4.212 9.326 -1.352 1.00 51.14 C ATOM 318 CE1 HIS A 21 -3.323 11.257 -0.827 1.00 42.43 C ATOM 319 NE2 HIS A 21 -3.059 10.067 -1.326 1.00 43.31 N ATOM 0 H HIS A 21 -8.103 7.695 -0.588 1.00 53.33 H new ATOM 0 HA HIS A 21 -6.078 8.880 1.179 1.00 44.51 H new ATOM 0 HB2 HIS A 21 -7.045 9.316 -1.531 1.00 15.12 H new ATOM 0 HB3 HIS A 21 -7.190 10.792 -0.598 1.00 15.12 H new ATOM 0 HD2 HIS A 21 -4.314 8.311 -1.707 1.00 51.14 H new ATOM 0 HE1 HIS A 21 -2.610 12.056 -0.688 1.00 42.43 H new ATOM 0 HE2 HIS A 21 -2.143 9.748 -1.642 1.00 43.31 H new ATOM 328 N ALA A 22 -7.542 10.443 2.476 1.00 62.51 N ATOM 329 CA ALA A 22 -8.421 11.200 3.367 1.00 45.30 C ATOM 330 C ALA A 22 -9.080 12.371 2.639 1.00 5.55 C ATOM 331 O ALA A 22 -10.129 12.863 3.055 1.00 32.43 O ATOM 332 CB ALA A 22 -7.636 11.701 4.570 1.00 62.12 C ATOM 0 H ALA A 22 -6.554 10.487 2.724 1.00 62.51 H new ATOM 0 HA ALA A 22 -9.213 10.533 3.707 1.00 45.30 H new ATOM 0 HB1 ALA A 22 -8.298 12.264 5.228 1.00 62.12 H new ATOM 0 HB2 ALA A 22 -7.221 10.852 5.113 1.00 62.12 H new ATOM 0 HB3 ALA A 22 -6.826 12.347 4.232 1.00 62.12 H new ATOM 338 N ASN A 23 -8.460 12.809 1.549 1.00 2.31 N ATOM 339 CA ASN A 23 -8.968 13.938 0.772 1.00 10.15 C ATOM 340 C ASN A 23 -10.141 13.516 -0.114 1.00 11.35 C ATOM 341 O ASN A 23 -11.004 14.327 -0.444 1.00 53.23 O ATOM 342 CB ASN A 23 -7.846 14.515 -0.097 1.00 35.24 C ATOM 343 CG ASN A 23 -8.257 15.762 -0.857 1.00 5.34 C ATOM 344 OD1 ASN A 23 -8.774 15.685 -1.970 1.00 42.50 O ATOM 345 ND2 ASN A 23 -8.006 16.922 -0.273 1.00 42.22 N ATOM 0 H ASN A 23 -7.602 12.399 1.181 1.00 2.31 H new ATOM 0 HA ASN A 23 -9.322 14.698 1.468 1.00 10.15 H new ATOM 0 HB2 ASN A 23 -6.990 14.749 0.536 1.00 35.24 H new ATOM 0 HB3 ASN A 23 -7.519 13.756 -0.808 1.00 35.24 H new ATOM 0 HD21 ASN A 23 -8.243 17.793 -0.747 1.00 42.22 H new ATOM 0 HD22 ASN A 23 -7.576 16.945 0.652 1.00 42.22 H new ATOM 352 N LEU A 24 -10.179 12.243 -0.480 1.00 43.25 N ATOM 353 CA LEU A 24 -11.170 11.750 -1.427 1.00 24.20 C ATOM 354 C LEU A 24 -11.801 10.459 -0.928 1.00 22.32 C ATOM 355 O LEU A 24 -11.176 9.401 -0.962 1.00 71.30 O ATOM 356 CB LEU A 24 -10.525 11.519 -2.798 1.00 31.11 C ATOM 357 CG LEU A 24 -9.965 12.768 -3.482 1.00 74.22 C ATOM 358 CD1 LEU A 24 -9.170 12.383 -4.717 1.00 1.51 C ATOM 359 CD2 LEU A 24 -11.092 13.721 -3.851 1.00 64.22 C ATOM 0 H LEU A 24 -9.534 11.532 -0.135 1.00 43.25 H new ATOM 0 HA LEU A 24 -11.952 12.503 -1.522 1.00 24.20 H new ATOM 0 HB2 LEU A 24 -9.717 10.796 -2.683 1.00 31.11 H new ATOM 0 HB3 LEU A 24 -11.266 11.067 -3.457 1.00 31.11 H new ATOM 0 HG LEU A 24 -9.298 13.275 -2.785 1.00 74.22 H new ATOM 0 HD11 LEU A 24 -8.778 13.282 -5.192 1.00 1.51 H new ATOM 0 HD12 LEU A 24 -8.342 11.735 -4.429 1.00 1.51 H new ATOM 0 HD13 LEU A 24 -9.818 11.855 -5.417 1.00 1.51 H new ATOM 0 HD21 LEU A 24 -10.677 14.604 -4.337 1.00 64.22 H new ATOM 0 HD22 LEU A 24 -11.782 13.223 -4.532 1.00 64.22 H new ATOM 0 HD23 LEU A 24 -11.626 14.020 -2.949 1.00 64.22 H new ATOM 371 N LYS A 25 -13.048 10.549 -0.478 1.00 31.40 N ATOM 372 CA LYS A 25 -13.759 9.383 0.044 1.00 21.50 C ATOM 373 C LYS A 25 -14.183 8.448 -1.087 1.00 44.32 C ATOM 374 O LYS A 25 -14.566 7.301 -0.849 1.00 12.10 O ATOM 375 CB LYS A 25 -14.972 9.818 0.883 1.00 54.13 C ATOM 376 CG LYS A 25 -15.923 10.768 0.169 1.00 32.11 C ATOM 377 CD LYS A 25 -16.980 11.298 1.125 1.00 12.44 C ATOM 378 CE LYS A 25 -17.838 12.383 0.489 1.00 13.35 C ATOM 379 NZ LYS A 25 -18.679 11.867 -0.621 1.00 15.03 N ATOM 0 H LYS A 25 -13.588 11.414 -0.463 1.00 31.40 H new ATOM 0 HA LYS A 25 -13.077 8.833 0.692 1.00 21.50 H new ATOM 0 HB2 LYS A 25 -15.526 8.930 1.187 1.00 54.13 H new ATOM 0 HB3 LYS A 25 -14.615 10.298 1.794 1.00 54.13 H new ATOM 0 HG2 LYS A 25 -15.361 11.600 -0.256 1.00 32.11 H new ATOM 0 HG3 LYS A 25 -16.404 10.251 -0.661 1.00 32.11 H new ATOM 0 HD2 LYS A 25 -17.618 10.476 1.450 1.00 12.44 H new ATOM 0 HD3 LYS A 25 -16.495 11.696 2.016 1.00 12.44 H new ATOM 0 HE2 LYS A 25 -18.480 12.827 1.250 1.00 13.35 H new ATOM 0 HE3 LYS A 25 -17.193 13.177 0.113 1.00 13.35 H new ATOM 0 HZ1 LYS A 25 -19.243 12.645 -1.019 1.00 15.03 H new ATOM 0 HZ2 LYS A 25 -18.069 11.467 -1.362 1.00 15.03 H new ATOM 0 HZ3 LYS A 25 -19.315 11.128 -0.260 1.00 15.03 H new ATOM 393 N SER A 26 -14.103 8.940 -2.317 1.00 34.45 N ATOM 394 CA SER A 26 -14.385 8.125 -3.489 1.00 24.31 C ATOM 395 C SER A 26 -13.119 7.402 -3.946 1.00 72.53 C ATOM 396 O SER A 26 -13.163 6.537 -4.822 1.00 41.00 O ATOM 397 CB SER A 26 -14.936 9.007 -4.621 1.00 44.23 C ATOM 398 OG SER A 26 -15.236 8.250 -5.782 1.00 55.54 O ATOM 0 H SER A 26 -13.844 9.904 -2.528 1.00 34.45 H new ATOM 0 HA SER A 26 -15.135 7.378 -3.229 1.00 24.31 H new ATOM 0 HB2 SER A 26 -15.836 9.518 -4.278 1.00 44.23 H new ATOM 0 HB3 SER A 26 -14.206 9.778 -4.869 1.00 44.23 H new ATOM 0 HG SER A 26 -14.651 7.465 -5.821 1.00 55.54 H new ATOM 404 N PHE A 27 -11.992 7.741 -3.332 1.00 33.00 N ATOM 405 CA PHE A 27 -10.711 7.207 -3.758 1.00 33.04 C ATOM 406 C PHE A 27 -10.448 5.847 -3.124 1.00 61.44 C ATOM 407 O PHE A 27 -9.956 5.754 -1.999 1.00 24.41 O ATOM 408 CB PHE A 27 -9.579 8.181 -3.411 1.00 31.22 C ATOM 409 CG PHE A 27 -8.252 7.812 -4.014 1.00 21.22 C ATOM 410 CD1 PHE A 27 -7.975 8.110 -5.339 1.00 65.41 C ATOM 411 CD2 PHE A 27 -7.282 7.176 -3.257 1.00 64.33 C ATOM 412 CE1 PHE A 27 -6.754 7.778 -5.896 1.00 65.40 C ATOM 413 CE2 PHE A 27 -6.059 6.840 -3.811 1.00 64.13 C ATOM 414 CZ PHE A 27 -5.796 7.141 -5.131 1.00 4.21 C ATOM 0 H PHE A 27 -11.942 8.382 -2.540 1.00 33.00 H new ATOM 0 HA PHE A 27 -10.744 7.079 -4.840 1.00 33.04 H new ATOM 0 HB2 PHE A 27 -9.856 9.180 -3.749 1.00 31.22 H new ATOM 0 HB3 PHE A 27 -9.474 8.229 -2.327 1.00 31.22 H new ATOM 0 HD1 PHE A 27 -8.721 8.607 -5.942 1.00 65.41 H new ATOM 0 HD2 PHE A 27 -7.482 6.940 -2.222 1.00 64.33 H new ATOM 0 HE1 PHE A 27 -6.549 8.017 -6.929 1.00 65.40 H new ATOM 0 HE2 PHE A 27 -5.312 6.343 -3.210 1.00 64.13 H new ATOM 0 HZ PHE A 27 -4.843 6.879 -5.566 1.00 4.21 H new ATOM 424 N SER A 28 -10.820 4.801 -3.841 1.00 20.43 N ATOM 425 CA SER A 28 -10.493 3.443 -3.449 1.00 21.33 C ATOM 426 C SER A 28 -9.725 2.772 -4.581 1.00 53.53 C ATOM 427 O SER A 28 -10.312 2.179 -5.487 1.00 14.14 O ATOM 428 CB SER A 28 -11.767 2.662 -3.118 1.00 20.04 C ATOM 429 OG SER A 28 -12.539 3.341 -2.139 1.00 63.12 O ATOM 0 H SER A 28 -11.355 4.869 -4.707 1.00 20.43 H new ATOM 0 HA SER A 28 -9.871 3.459 -2.554 1.00 21.33 H new ATOM 0 HB2 SER A 28 -12.359 2.525 -4.023 1.00 20.04 H new ATOM 0 HB3 SER A 28 -11.505 1.668 -2.755 1.00 20.04 H new ATOM 0 HG SER A 28 -13.349 2.824 -1.945 1.00 63.12 H new ATOM 435 N ALA A 29 -8.410 2.913 -4.546 1.00 62.04 N ATOM 436 CA ALA A 29 -7.566 2.417 -5.620 1.00 12.14 C ATOM 437 C ALA A 29 -6.931 1.089 -5.247 1.00 52.01 C ATOM 438 O ALA A 29 -6.622 0.841 -4.084 1.00 41.32 O ATOM 439 CB ALA A 29 -6.497 3.442 -5.967 1.00 63.13 C ATOM 0 H ALA A 29 -7.904 3.367 -3.785 1.00 62.04 H new ATOM 0 HA ALA A 29 -8.192 2.254 -6.497 1.00 12.14 H new ATOM 0 HB1 ALA A 29 -5.872 3.057 -6.773 1.00 63.13 H new ATOM 0 HB2 ALA A 29 -6.972 4.369 -6.287 1.00 63.13 H new ATOM 0 HB3 ALA A 29 -5.880 3.635 -5.090 1.00 63.13 H new ATOM 445 N ASP A 30 -6.746 0.236 -6.237 1.00 52.52 N ATOM 446 CA ASP A 30 -6.121 -1.056 -6.018 1.00 64.24 C ATOM 447 C ASP A 30 -4.679 -1.024 -6.498 1.00 14.01 C ATOM 448 O ASP A 30 -4.414 -0.789 -7.681 1.00 43.53 O ATOM 449 CB ASP A 30 -6.895 -2.158 -6.744 1.00 24.22 C ATOM 450 CG ASP A 30 -6.264 -3.525 -6.571 1.00 4.35 C ATOM 451 OD1 ASP A 30 -6.515 -4.169 -5.532 1.00 34.25 O ATOM 452 OD2 ASP A 30 -5.527 -3.963 -7.477 1.00 64.32 O ATOM 0 H ASP A 30 -7.020 0.415 -7.203 1.00 52.52 H new ATOM 0 HA ASP A 30 -6.135 -1.272 -4.950 1.00 64.24 H new ATOM 0 HB2 ASP A 30 -7.919 -2.185 -6.370 1.00 24.22 H new ATOM 0 HB3 ASP A 30 -6.950 -1.919 -7.806 1.00 24.22 H new ATOM 457 N ALA A 31 -3.751 -1.219 -5.575 1.00 45.33 N ATOM 458 CA ALA A 31 -2.337 -1.235 -5.908 1.00 44.04 C ATOM 459 C ALA A 31 -1.754 -2.622 -5.676 1.00 2.24 C ATOM 460 O ALA A 31 -1.994 -3.238 -4.638 1.00 34.11 O ATOM 461 CB ALA A 31 -1.589 -0.195 -5.089 1.00 32.12 C ATOM 0 H ALA A 31 -3.953 -1.369 -4.587 1.00 45.33 H new ATOM 0 HA ALA A 31 -2.224 -0.987 -6.963 1.00 44.04 H new ATOM 0 HB1 ALA A 31 -0.531 -0.219 -5.350 1.00 32.12 H new ATOM 0 HB2 ALA A 31 -1.993 0.795 -5.302 1.00 32.12 H new ATOM 0 HB3 ALA A 31 -1.706 -0.414 -4.028 1.00 32.12 H new ATOM 467 N ARG A 32 -1.004 -3.117 -6.649 1.00 55.12 N ATOM 468 CA ARG A 32 -0.405 -4.439 -6.545 1.00 0.42 C ATOM 469 C ARG A 32 1.114 -4.345 -6.446 1.00 0.33 C ATOM 470 O ARG A 32 1.731 -3.437 -7.011 1.00 13.43 O ATOM 471 CB ARG A 32 -0.806 -5.300 -7.749 1.00 54.31 C ATOM 472 CG ARG A 32 -0.287 -4.773 -9.078 1.00 60.14 C ATOM 473 CD ARG A 32 -0.784 -5.607 -10.245 1.00 43.35 C ATOM 474 NE ARG A 32 -0.274 -5.110 -11.523 1.00 44.50 N ATOM 475 CZ ARG A 32 -0.990 -5.065 -12.646 1.00 72.43 C ATOM 476 NH1 ARG A 32 -2.249 -5.483 -12.658 1.00 35.42 N ATOM 477 NH2 ARG A 32 -0.443 -4.594 -13.761 1.00 61.14 N ATOM 0 H ARG A 32 -0.796 -2.625 -7.518 1.00 55.12 H new ATOM 0 HA ARG A 32 -0.776 -4.909 -5.634 1.00 0.42 H new ATOM 0 HB2 ARG A 32 -0.433 -6.313 -7.600 1.00 54.31 H new ATOM 0 HB3 ARG A 32 -1.893 -5.363 -7.793 1.00 54.31 H new ATOM 0 HG2 ARG A 32 -0.605 -3.739 -9.208 1.00 60.14 H new ATOM 0 HG3 ARG A 32 0.803 -4.773 -9.069 1.00 60.14 H new ATOM 0 HD2 ARG A 32 -0.475 -6.643 -10.109 1.00 43.35 H new ATOM 0 HD3 ARG A 32 -1.874 -5.598 -10.260 1.00 43.35 H new ATOM 0 HE ARG A 32 0.690 -4.777 -11.557 1.00 44.50 H new ATOM 0 HH11 ARG A 32 -2.675 -5.842 -11.804 1.00 35.42 H new ATOM 0 HH12 ARG A 32 -2.791 -5.445 -13.521 1.00 35.42 H new ATOM 0 HH21 ARG A 32 0.523 -4.268 -13.757 1.00 61.14 H new ATOM 0 HH22 ARG A 32 -0.989 -4.559 -14.622 1.00 61.14 H new ATOM 491 N PHE A 33 1.705 -5.280 -5.714 1.00 42.25 N ATOM 492 CA PHE A 33 3.153 -5.363 -5.578 1.00 15.43 C ATOM 493 C PHE A 33 3.528 -6.766 -5.102 1.00 71.24 C ATOM 494 O PHE A 33 2.652 -7.610 -4.919 1.00 15.22 O ATOM 495 CB PHE A 33 3.659 -4.293 -4.595 1.00 71.12 C ATOM 496 CG PHE A 33 5.119 -3.959 -4.752 1.00 1.15 C ATOM 497 CD1 PHE A 33 5.568 -3.269 -5.869 1.00 61.02 C ATOM 498 CD2 PHE A 33 6.040 -4.334 -3.788 1.00 43.32 C ATOM 499 CE1 PHE A 33 6.908 -2.961 -6.019 1.00 10.30 C ATOM 500 CE2 PHE A 33 7.381 -4.030 -3.932 1.00 32.43 C ATOM 501 CZ PHE A 33 7.816 -3.342 -5.050 1.00 74.14 C ATOM 0 H PHE A 33 1.197 -5.999 -5.200 1.00 42.25 H new ATOM 0 HA PHE A 33 3.625 -5.177 -6.542 1.00 15.43 H new ATOM 0 HB2 PHE A 33 3.072 -3.384 -4.729 1.00 71.12 H new ATOM 0 HB3 PHE A 33 3.483 -4.638 -3.576 1.00 71.12 H new ATOM 0 HD1 PHE A 33 4.863 -2.969 -6.630 1.00 61.02 H new ATOM 0 HD2 PHE A 33 5.706 -4.871 -2.912 1.00 43.32 H new ATOM 0 HE1 PHE A 33 7.244 -2.423 -6.893 1.00 10.30 H new ATOM 0 HE2 PHE A 33 8.088 -4.329 -3.172 1.00 32.43 H new ATOM 0 HZ PHE A 33 8.863 -3.103 -5.165 1.00 74.14 H new ATOM 511 N SER A 34 4.816 -7.013 -4.913 1.00 44.14 N ATOM 512 CA SER A 34 5.296 -8.308 -4.457 1.00 62.11 C ATOM 513 C SER A 34 5.256 -8.396 -2.927 1.00 4.01 C ATOM 514 O SER A 34 5.602 -7.437 -2.236 1.00 22.34 O ATOM 515 CB SER A 34 6.722 -8.530 -4.972 1.00 2.11 C ATOM 516 OG SER A 34 7.548 -7.415 -4.669 1.00 32.04 O ATOM 0 H SER A 34 5.553 -6.326 -5.070 1.00 44.14 H new ATOM 0 HA SER A 34 4.645 -9.088 -4.852 1.00 62.11 H new ATOM 0 HB2 SER A 34 7.140 -9.431 -4.522 1.00 2.11 H new ATOM 0 HB3 SER A 34 6.703 -8.692 -6.050 1.00 2.11 H new ATOM 0 HG SER A 34 8.454 -7.578 -5.005 1.00 32.04 H new ATOM 522 N PRO A 35 4.855 -9.560 -2.382 1.00 2.15 N ATOM 523 CA PRO A 35 4.694 -9.761 -0.932 1.00 23.43 C ATOM 524 C PRO A 35 6.021 -9.721 -0.177 1.00 21.43 C ATOM 525 O PRO A 35 6.050 -9.535 1.039 1.00 43.52 O ATOM 526 CB PRO A 35 4.071 -11.160 -0.817 1.00 11.10 C ATOM 527 CG PRO A 35 3.612 -11.510 -2.191 1.00 30.51 C ATOM 528 CD PRO A 35 4.522 -10.776 -3.131 1.00 33.11 C ATOM 0 HA PRO A 35 4.088 -8.969 -0.492 1.00 23.43 H new ATOM 0 HB2 PRO A 35 4.799 -11.884 -0.451 1.00 11.10 H new ATOM 0 HB3 PRO A 35 3.238 -11.161 -0.114 1.00 11.10 H new ATOM 0 HG2 PRO A 35 3.665 -12.586 -2.358 1.00 30.51 H new ATOM 0 HG3 PRO A 35 2.574 -11.214 -2.343 1.00 30.51 H new ATOM 0 HD2 PRO A 35 5.411 -11.359 -3.370 1.00 33.11 H new ATOM 0 HD3 PRO A 35 4.028 -10.546 -4.075 1.00 33.11 H new ATOM 536 N GLN A 36 7.121 -9.878 -0.904 1.00 64.21 N ATOM 537 CA GLN A 36 8.445 -9.914 -0.291 1.00 65.22 C ATOM 538 C GLN A 36 8.966 -8.501 -0.035 1.00 54.12 C ATOM 539 O GLN A 36 10.160 -8.295 0.183 1.00 22.20 O ATOM 540 CB GLN A 36 9.417 -10.688 -1.184 1.00 24.30 C ATOM 541 CG GLN A 36 8.941 -12.092 -1.518 1.00 73.54 C ATOM 542 CD GLN A 36 9.972 -12.891 -2.286 1.00 4.44 C ATOM 543 OE1 GLN A 36 10.013 -12.861 -3.517 1.00 1.41 O ATOM 544 NE2 GLN A 36 10.814 -13.612 -1.563 1.00 22.41 N ATOM 0 H GLN A 36 7.123 -9.982 -1.919 1.00 64.21 H new ATOM 0 HA GLN A 36 8.366 -10.424 0.669 1.00 65.22 H new ATOM 0 HB2 GLN A 36 9.568 -10.134 -2.110 1.00 24.30 H new ATOM 0 HB3 GLN A 36 10.385 -10.749 -0.687 1.00 24.30 H new ATOM 0 HG2 GLN A 36 8.694 -12.617 -0.595 1.00 73.54 H new ATOM 0 HG3 GLN A 36 8.024 -12.031 -2.104 1.00 73.54 H new ATOM 0 HE21 GLN A 36 10.745 -13.608 -0.545 1.00 22.41 H new ATOM 0 HE22 GLN A 36 11.532 -14.171 -2.023 1.00 22.41 H new ATOM 553 N MET A 37 8.057 -7.535 -0.053 1.00 73.33 N ATOM 554 CA MET A 37 8.398 -6.145 0.208 1.00 25.23 C ATOM 555 C MET A 37 8.646 -5.921 1.698 1.00 71.45 C ATOM 556 O MET A 37 7.990 -6.534 2.547 1.00 62.13 O ATOM 557 CB MET A 37 7.270 -5.229 -0.273 1.00 50.32 C ATOM 558 CG MET A 37 7.559 -3.747 -0.088 1.00 35.00 C ATOM 559 SD MET A 37 6.153 -2.703 -0.512 1.00 60.54 S ATOM 560 CE MET A 37 6.862 -1.074 -0.285 1.00 4.15 C ATOM 0 H MET A 37 7.068 -7.693 -0.248 1.00 73.33 H new ATOM 0 HA MET A 37 9.312 -5.907 -0.337 1.00 25.23 H new ATOM 0 HB2 MET A 37 7.082 -5.424 -1.329 1.00 50.32 H new ATOM 0 HB3 MET A 37 6.356 -5.481 0.265 1.00 50.32 H new ATOM 0 HG2 MET A 37 7.843 -3.563 0.948 1.00 35.00 H new ATOM 0 HG3 MET A 37 8.412 -3.468 -0.706 1.00 35.00 H new ATOM 0 HE1 MET A 37 6.498 -0.646 0.649 1.00 4.15 H new ATOM 0 HE2 MET A 37 7.949 -1.152 -0.249 1.00 4.15 H new ATOM 0 HE3 MET A 37 6.572 -0.432 -1.116 1.00 4.15 H new ATOM 570 N SER A 38 9.601 -5.058 2.005 1.00 54.42 N ATOM 571 CA SER A 38 9.892 -4.689 3.379 1.00 60.02 C ATOM 572 C SER A 38 9.673 -3.190 3.575 1.00 60.41 C ATOM 573 O SER A 38 9.862 -2.400 2.646 1.00 23.35 O ATOM 574 CB SER A 38 11.334 -5.069 3.731 1.00 2.42 C ATOM 575 OG SER A 38 11.566 -6.448 3.495 1.00 35.42 O ATOM 0 H SER A 38 10.192 -4.597 1.313 1.00 54.42 H new ATOM 0 HA SER A 38 9.218 -5.230 4.043 1.00 60.02 H new ATOM 0 HB2 SER A 38 12.027 -4.473 3.137 1.00 2.42 H new ATOM 0 HB3 SER A 38 11.530 -4.837 4.778 1.00 2.42 H new ATOM 0 HG SER A 38 12.493 -6.668 3.725 1.00 35.42 H new ATOM 581 N VAL A 39 9.276 -2.805 4.781 1.00 40.20 N ATOM 582 CA VAL A 39 9.016 -1.406 5.097 1.00 53.23 C ATOM 583 C VAL A 39 10.311 -0.597 5.033 1.00 1.33 C ATOM 584 O VAL A 39 10.301 0.584 4.685 1.00 13.32 O ATOM 585 CB VAL A 39 8.373 -1.251 6.492 1.00 30.42 C ATOM 586 CG1 VAL A 39 7.979 0.198 6.747 1.00 65.13 C ATOM 587 CG2 VAL A 39 7.168 -2.171 6.628 1.00 33.15 C ATOM 0 H VAL A 39 9.126 -3.446 5.560 1.00 40.20 H new ATOM 0 HA VAL A 39 8.314 -1.026 4.354 1.00 53.23 H new ATOM 0 HB VAL A 39 9.109 -1.537 7.243 1.00 30.42 H new ATOM 0 HG11 VAL A 39 7.528 0.284 7.736 1.00 65.13 H new ATOM 0 HG12 VAL A 39 8.865 0.830 6.696 1.00 65.13 H new ATOM 0 HG13 VAL A 39 7.261 0.518 5.992 1.00 65.13 H new ATOM 0 HG21 VAL A 39 6.727 -2.049 7.617 1.00 33.15 H new ATOM 0 HG22 VAL A 39 6.429 -1.918 5.868 1.00 33.15 H new ATOM 0 HG23 VAL A 39 7.484 -3.206 6.497 1.00 33.15 H new ATOM 597 N GLU A 40 11.426 -1.242 5.358 1.00 43.25 N ATOM 598 CA GLU A 40 12.736 -0.621 5.219 1.00 35.52 C ATOM 599 C GLU A 40 12.924 -0.113 3.793 1.00 4.00 C ATOM 600 O GLU A 40 13.336 1.025 3.574 1.00 33.23 O ATOM 601 CB GLU A 40 13.841 -1.624 5.563 1.00 64.52 C ATOM 602 CG GLU A 40 15.247 -1.066 5.389 1.00 41.43 C ATOM 603 CD GLU A 40 16.322 -2.123 5.526 1.00 3.03 C ATOM 604 OE1 GLU A 40 16.535 -2.886 4.561 1.00 24.42 O ATOM 605 OE2 GLU A 40 16.963 -2.194 6.592 1.00 23.34 O ATOM 0 H GLU A 40 11.448 -2.195 5.720 1.00 43.25 H new ATOM 0 HA GLU A 40 12.797 0.220 5.910 1.00 35.52 H new ATOM 0 HB2 GLU A 40 13.714 -1.952 6.595 1.00 64.52 H new ATOM 0 HB3 GLU A 40 13.729 -2.506 4.932 1.00 64.52 H new ATOM 0 HG2 GLU A 40 15.328 -0.598 4.408 1.00 41.43 H new ATOM 0 HG3 GLU A 40 15.416 -0.285 6.130 1.00 41.43 H new ATOM 612 N ALA A 41 12.564 -0.961 2.834 1.00 4.34 N ATOM 613 CA ALA A 41 12.764 -0.671 1.423 1.00 10.14 C ATOM 614 C ALA A 41 12.024 0.589 0.994 1.00 74.03 C ATOM 615 O ALA A 41 12.576 1.420 0.276 1.00 72.41 O ATOM 616 CB ALA A 41 12.325 -1.857 0.580 1.00 32.24 C ATOM 0 H ALA A 41 12.127 -1.865 3.015 1.00 4.34 H new ATOM 0 HA ALA A 41 13.828 -0.493 1.267 1.00 10.14 H new ATOM 0 HB1 ALA A 41 12.479 -1.630 -0.475 1.00 32.24 H new ATOM 0 HB2 ALA A 41 12.912 -2.734 0.852 1.00 32.24 H new ATOM 0 HB3 ALA A 41 11.269 -2.059 0.758 1.00 32.24 H new ATOM 622 N VAL A 42 10.777 0.738 1.443 1.00 24.21 N ATOM 623 CA VAL A 42 9.975 1.891 1.047 1.00 14.13 C ATOM 624 C VAL A 42 10.484 3.166 1.721 1.00 53.31 C ATOM 625 O VAL A 42 10.418 4.251 1.144 1.00 22.11 O ATOM 626 CB VAL A 42 8.463 1.690 1.338 1.00 21.41 C ATOM 627 CG1 VAL A 42 8.184 1.604 2.832 1.00 4.44 C ATOM 628 CG2 VAL A 42 7.634 2.798 0.702 1.00 12.52 C ATOM 0 H VAL A 42 10.308 0.085 2.071 1.00 24.21 H new ATOM 0 HA VAL A 42 10.085 1.994 -0.033 1.00 14.13 H new ATOM 0 HB VAL A 42 8.171 0.740 0.891 1.00 21.41 H new ATOM 0 HG11 VAL A 42 7.115 1.463 2.995 1.00 4.44 H new ATOM 0 HG12 VAL A 42 8.730 0.761 3.256 1.00 4.44 H new ATOM 0 HG13 VAL A 42 8.507 2.526 3.316 1.00 4.44 H new ATOM 0 HG21 VAL A 42 6.579 2.634 0.921 1.00 12.52 H new ATOM 0 HG22 VAL A 42 7.943 3.762 1.107 1.00 12.52 H new ATOM 0 HG23 VAL A 42 7.786 2.792 -0.377 1.00 12.52 H new ATOM 638 N LYS A 43 11.021 3.033 2.932 1.00 62.43 N ATOM 639 CA LYS A 43 11.586 4.178 3.634 1.00 31.41 C ATOM 640 C LYS A 43 12.875 4.627 2.955 1.00 32.33 C ATOM 641 O LYS A 43 13.104 5.823 2.787 1.00 41.11 O ATOM 642 CB LYS A 43 11.840 3.856 5.108 1.00 53.52 C ATOM 643 CG LYS A 43 10.567 3.593 5.904 1.00 74.22 C ATOM 644 CD LYS A 43 10.849 3.345 7.384 1.00 44.35 C ATOM 645 CE LYS A 43 11.135 4.632 8.156 1.00 54.44 C ATOM 646 NZ LYS A 43 12.399 5.290 7.730 1.00 3.10 N ATOM 0 H LYS A 43 11.076 2.151 3.442 1.00 62.43 H new ATOM 0 HA LYS A 43 10.862 4.992 3.592 1.00 31.41 H new ATOM 0 HB2 LYS A 43 12.487 2.981 5.174 1.00 53.52 H new ATOM 0 HB3 LYS A 43 12.379 4.686 5.565 1.00 53.52 H new ATOM 0 HG2 LYS A 43 9.895 4.445 5.802 1.00 74.22 H new ATOM 0 HG3 LYS A 43 10.051 2.729 5.485 1.00 74.22 H new ATOM 0 HD2 LYS A 43 9.993 2.840 7.833 1.00 44.35 H new ATOM 0 HD3 LYS A 43 11.702 2.673 7.479 1.00 44.35 H new ATOM 0 HE2 LYS A 43 10.305 5.325 8.018 1.00 54.44 H new ATOM 0 HE3 LYS A 43 11.189 4.407 9.221 1.00 54.44 H new ATOM 0 HZ1 LYS A 43 12.802 5.819 8.530 1.00 3.10 H new ATOM 0 HZ2 LYS A 43 13.078 4.567 7.416 1.00 3.10 H new ATOM 0 HZ3 LYS A 43 12.203 5.945 6.946 1.00 3.10 H new ATOM 660 N GLU A 44 13.704 3.661 2.547 1.00 34.21 N ATOM 661 CA GLU A 44 14.908 3.961 1.771 1.00 11.12 C ATOM 662 C GLU A 44 14.518 4.658 0.471 1.00 44.43 C ATOM 663 O GLU A 44 15.161 5.619 0.041 1.00 74.14 O ATOM 664 CB GLU A 44 15.690 2.684 1.437 1.00 23.02 C ATOM 665 CG GLU A 44 16.117 1.869 2.644 1.00 40.00 C ATOM 666 CD GLU A 44 16.914 0.638 2.252 1.00 2.01 C ATOM 667 OE1 GLU A 44 16.430 -0.147 1.406 1.00 2.22 O ATOM 668 OE2 GLU A 44 18.039 0.460 2.771 1.00 41.15 O ATOM 0 H GLU A 44 13.563 2.670 2.741 1.00 34.21 H new ATOM 0 HA GLU A 44 15.543 4.610 2.374 1.00 11.12 H new ATOM 0 HB2 GLU A 44 15.076 2.057 0.791 1.00 23.02 H new ATOM 0 HB3 GLU A 44 16.578 2.957 0.867 1.00 23.02 H new ATOM 0 HG2 GLU A 44 16.717 2.492 3.307 1.00 40.00 H new ATOM 0 HG3 GLU A 44 15.234 1.564 3.205 1.00 40.00 H new ATOM 675 N LYS A 45 13.446 4.160 -0.135 1.00 24.41 N ATOM 676 CA LYS A 45 12.945 4.689 -1.393 1.00 23.24 C ATOM 677 C LYS A 45 12.503 6.139 -1.225 1.00 71.05 C ATOM 678 O LYS A 45 12.911 7.007 -1.990 1.00 53.31 O ATOM 679 CB LYS A 45 11.776 3.836 -1.887 1.00 12.45 C ATOM 680 CG LYS A 45 11.351 4.133 -3.313 1.00 21.44 C ATOM 681 CD LYS A 45 10.162 3.277 -3.722 1.00 23.14 C ATOM 682 CE LYS A 45 9.905 3.352 -5.217 1.00 52.33 C ATOM 683 NZ LYS A 45 11.049 2.819 -6.002 1.00 44.21 N ATOM 0 H LYS A 45 12.902 3.379 0.233 1.00 24.41 H new ATOM 0 HA LYS A 45 13.747 4.656 -2.130 1.00 23.24 H new ATOM 0 HB2 LYS A 45 12.051 2.784 -1.813 1.00 12.45 H new ATOM 0 HB3 LYS A 45 10.923 3.990 -1.226 1.00 12.45 H new ATOM 0 HG2 LYS A 45 11.092 5.188 -3.406 1.00 21.44 H new ATOM 0 HG3 LYS A 45 12.185 3.949 -3.990 1.00 21.44 H new ATOM 0 HD2 LYS A 45 10.343 2.241 -3.435 1.00 23.14 H new ATOM 0 HD3 LYS A 45 9.274 3.606 -3.183 1.00 23.14 H new ATOM 0 HE2 LYS A 45 9.004 2.788 -5.459 1.00 52.33 H new ATOM 0 HE3 LYS A 45 9.720 4.388 -5.502 1.00 52.33 H new ATOM 0 HZ1 LYS A 45 10.724 2.554 -6.954 1.00 44.21 H new ATOM 0 HZ2 LYS A 45 11.787 3.548 -6.079 1.00 44.21 H new ATOM 0 HZ3 LYS A 45 11.438 1.982 -5.524 1.00 44.21 H new ATOM 697 N LEU A 46 11.674 6.390 -0.216 1.00 43.31 N ATOM 698 CA LEU A 46 11.179 7.736 0.054 1.00 33.35 C ATOM 699 C LEU A 46 12.317 8.674 0.435 1.00 72.00 C ATOM 700 O LEU A 46 12.353 9.824 -0.004 1.00 32.21 O ATOM 701 CB LEU A 46 10.127 7.708 1.167 1.00 2.52 C ATOM 702 CG LEU A 46 8.819 7.001 0.804 1.00 54.51 C ATOM 703 CD1 LEU A 46 7.886 6.965 2.003 1.00 3.23 C ATOM 704 CD2 LEU A 46 8.149 7.695 -0.375 1.00 34.01 C ATOM 0 H LEU A 46 11.331 5.678 0.429 1.00 43.31 H new ATOM 0 HA LEU A 46 10.718 8.111 -0.860 1.00 33.35 H new ATOM 0 HB2 LEU A 46 10.557 7.218 2.040 1.00 2.52 H new ATOM 0 HB3 LEU A 46 9.900 8.734 1.457 1.00 2.52 H new ATOM 0 HG LEU A 46 9.048 5.975 0.515 1.00 54.51 H new ATOM 0 HD11 LEU A 46 6.960 6.459 1.729 1.00 3.23 H new ATOM 0 HD12 LEU A 46 8.365 6.427 2.821 1.00 3.23 H new ATOM 0 HD13 LEU A 46 7.662 7.983 2.321 1.00 3.23 H new ATOM 0 HD21 LEU A 46 7.220 7.180 -0.621 1.00 34.01 H new ATOM 0 HD22 LEU A 46 7.931 8.730 -0.112 1.00 34.01 H new ATOM 0 HD23 LEU A 46 8.815 7.672 -1.237 1.00 34.01 H new ATOM 716 N TRP A 47 13.246 8.170 1.239 1.00 42.05 N ATOM 717 CA TRP A 47 14.407 8.939 1.677 1.00 10.24 C ATOM 718 C TRP A 47 15.207 9.460 0.485 1.00 42.33 C ATOM 719 O TRP A 47 15.582 10.635 0.439 1.00 64.34 O ATOM 720 CB TRP A 47 15.277 8.065 2.592 1.00 75.03 C ATOM 721 CG TRP A 47 16.663 8.588 2.835 1.00 34.23 C ATOM 722 CD1 TRP A 47 17.018 9.832 3.268 1.00 12.25 C ATOM 723 CD2 TRP A 47 17.883 7.857 2.679 1.00 10.30 C ATOM 724 NE1 TRP A 47 18.384 9.923 3.372 1.00 65.55 N ATOM 725 CE2 TRP A 47 18.936 8.723 3.019 1.00 1.43 C ATOM 726 CE3 TRP A 47 18.184 6.554 2.275 1.00 62.33 C ATOM 727 CZ2 TRP A 47 20.269 8.326 2.976 1.00 50.11 C ATOM 728 CZ3 TRP A 47 19.508 6.161 2.232 1.00 50.12 C ATOM 729 CH2 TRP A 47 20.536 7.044 2.577 1.00 44.24 C ATOM 0 H TRP A 47 13.217 7.219 1.606 1.00 42.05 H new ATOM 0 HA TRP A 47 14.066 9.810 2.236 1.00 10.24 H new ATOM 0 HB2 TRP A 47 14.772 7.955 3.552 1.00 75.03 H new ATOM 0 HB3 TRP A 47 15.352 7.069 2.155 1.00 75.03 H new ATOM 0 HD1 TRP A 47 16.326 10.629 3.496 1.00 12.25 H new ATOM 0 HE1 TRP A 47 18.903 10.751 3.665 1.00 65.55 H new ATOM 0 HE3 TRP A 47 17.397 5.867 2.002 1.00 62.33 H new ATOM 0 HZ2 TRP A 47 21.064 9.005 3.248 1.00 50.11 H new ATOM 0 HZ3 TRP A 47 19.753 5.154 1.927 1.00 50.12 H new ATOM 0 HH2 TRP A 47 21.561 6.708 2.528 1.00 44.24 H new ATOM 740 N LYS A 48 15.454 8.592 -0.487 1.00 32.31 N ATOM 741 CA LYS A 48 16.206 8.974 -1.672 1.00 20.11 C ATOM 742 C LYS A 48 15.336 9.758 -2.651 1.00 63.45 C ATOM 743 O LYS A 48 15.832 10.614 -3.386 1.00 31.41 O ATOM 744 CB LYS A 48 16.791 7.738 -2.354 1.00 61.21 C ATOM 745 CG LYS A 48 17.847 7.038 -1.515 1.00 62.51 C ATOM 746 CD LYS A 48 18.414 5.819 -2.224 1.00 44.22 C ATOM 747 CE LYS A 48 19.539 5.191 -1.419 1.00 21.40 C ATOM 748 NZ LYS A 48 20.127 4.009 -2.103 1.00 51.10 N ATOM 0 H LYS A 48 15.145 7.620 -0.477 1.00 32.31 H new ATOM 0 HA LYS A 48 17.023 9.622 -1.355 1.00 20.11 H new ATOM 0 HB2 LYS A 48 15.986 7.036 -2.574 1.00 61.21 H new ATOM 0 HB3 LYS A 48 17.229 8.030 -3.309 1.00 61.21 H new ATOM 0 HG2 LYS A 48 18.654 7.736 -1.290 1.00 62.51 H new ATOM 0 HG3 LYS A 48 17.412 6.735 -0.562 1.00 62.51 H new ATOM 0 HD2 LYS A 48 17.623 5.086 -2.382 1.00 44.22 H new ATOM 0 HD3 LYS A 48 18.784 6.106 -3.208 1.00 44.22 H new ATOM 0 HE2 LYS A 48 20.318 5.933 -1.246 1.00 21.40 H new ATOM 0 HE3 LYS A 48 19.161 4.892 -0.441 1.00 21.40 H new ATOM 0 HZ1 LYS A 48 20.890 3.613 -1.518 1.00 51.10 H new ATOM 0 HZ2 LYS A 48 19.391 3.288 -2.245 1.00 51.10 H new ATOM 0 HZ3 LYS A 48 20.512 4.297 -3.025 1.00 51.10 H new ATOM 762 N LYS A 49 14.042 9.475 -2.652 1.00 22.33 N ATOM 763 CA LYS A 49 13.121 10.141 -3.558 1.00 15.24 C ATOM 764 C LYS A 49 12.815 11.564 -3.092 1.00 0.14 C ATOM 765 O LYS A 49 13.298 12.530 -3.680 1.00 34.11 O ATOM 766 CB LYS A 49 11.817 9.343 -3.695 1.00 71.54 C ATOM 767 CG LYS A 49 10.828 9.960 -4.674 1.00 23.44 C ATOM 768 CD LYS A 49 11.400 10.025 -6.078 1.00 34.41 C ATOM 769 CE LYS A 49 10.547 10.893 -6.982 1.00 65.24 C ATOM 770 NZ LYS A 49 11.071 10.927 -8.371 1.00 23.54 N ATOM 0 H LYS A 49 13.607 8.789 -2.035 1.00 22.33 H new ATOM 0 HA LYS A 49 13.605 10.196 -4.533 1.00 15.24 H new ATOM 0 HB2 LYS A 49 12.053 8.329 -4.019 1.00 71.54 H new ATOM 0 HB3 LYS A 49 11.345 9.263 -2.716 1.00 71.54 H new ATOM 0 HG2 LYS A 49 9.909 9.374 -4.682 1.00 23.44 H new ATOM 0 HG3 LYS A 49 10.564 10.964 -4.341 1.00 23.44 H new ATOM 0 HD2 LYS A 49 12.415 10.422 -6.041 1.00 34.41 H new ATOM 0 HD3 LYS A 49 11.466 9.019 -6.493 1.00 34.41 H new ATOM 0 HE2 LYS A 49 9.524 10.515 -6.989 1.00 65.24 H new ATOM 0 HE3 LYS A 49 10.510 11.907 -6.583 1.00 65.24 H new ATOM 0 HZ1 LYS A 49 10.460 11.531 -8.958 1.00 23.54 H new ATOM 0 HZ2 LYS A 49 12.038 11.311 -8.368 1.00 23.54 H new ATOM 0 HZ3 LYS A 49 11.083 9.963 -8.761 1.00 23.54 H new ATOM 784 N CYS A 50 12.025 11.688 -2.031 1.00 10.51 N ATOM 785 CA CYS A 50 11.566 12.991 -1.559 1.00 0.11 C ATOM 786 C CYS A 50 11.283 12.960 -0.062 1.00 64.13 C ATOM 787 O CYS A 50 11.872 13.720 0.707 1.00 54.10 O ATOM 788 CB CYS A 50 10.300 13.416 -2.307 1.00 52.21 C ATOM 789 SG CYS A 50 10.499 13.579 -4.098 1.00 11.21 S ATOM 0 H CYS A 50 11.688 10.899 -1.479 1.00 10.51 H new ATOM 0 HA CYS A 50 12.360 13.713 -1.753 1.00 0.11 H new ATOM 0 HB2 CYS A 50 9.514 12.687 -2.107 1.00 52.21 H new ATOM 0 HB3 CYS A 50 9.960 14.370 -1.905 1.00 52.21 H new ATOM 0 HG CYS A 50 11.715 13.261 -4.430 1.00 11.21 H new ATOM 795 N GLY A 51 10.381 12.068 0.342 1.00 32.11 N ATOM 796 CA GLY A 51 9.949 12.007 1.728 1.00 21.00 C ATOM 797 C GLY A 51 10.990 11.408 2.654 1.00 1.44 C ATOM 798 O GLY A 51 10.925 10.226 2.991 1.00 43.43 O ATOM 0 H GLY A 51 9.939 11.382 -0.271 1.00 32.11 H new ATOM 0 HA2 GLY A 51 9.704 13.013 2.070 1.00 21.00 H new ATOM 0 HA3 GLY A 51 9.034 11.417 1.791 1.00 21.00 H new ATOM 802 N THR A 52 11.948 12.226 3.059 1.00 64.45 N ATOM 803 CA THR A 52 12.961 11.811 4.012 1.00 22.44 C ATOM 804 C THR A 52 12.341 11.676 5.400 1.00 15.11 C ATOM 805 O THR A 52 12.614 10.723 6.129 1.00 54.43 O ATOM 806 CB THR A 52 14.115 12.832 4.054 1.00 44.43 C ATOM 807 OG1 THR A 52 14.585 13.081 2.722 1.00 2.11 O ATOM 808 CG2 THR A 52 15.261 12.328 4.916 1.00 61.34 C ATOM 0 H THR A 52 12.044 13.189 2.738 1.00 64.45 H new ATOM 0 HA THR A 52 13.360 10.846 3.698 1.00 22.44 H new ATOM 0 HB THR A 52 13.740 13.757 4.492 1.00 44.43 H new ATOM 0 HG1 THR A 52 15.317 13.732 2.750 1.00 2.11 H new ATOM 0 HG21 THR A 52 16.061 13.069 4.927 1.00 61.34 H new ATOM 0 HG22 THR A 52 14.906 12.162 5.933 1.00 61.34 H new ATOM 0 HG23 THR A 52 15.640 11.391 4.507 1.00 61.34 H new ATOM 816 N SER A 53 11.488 12.631 5.744 1.00 20.32 N ATOM 817 CA SER A 53 10.780 12.612 7.009 1.00 64.23 C ATOM 818 C SER A 53 9.271 12.668 6.782 1.00 43.32 C ATOM 819 O SER A 53 8.722 13.693 6.366 1.00 45.20 O ATOM 820 CB SER A 53 11.245 13.773 7.896 1.00 61.45 C ATOM 821 OG SER A 53 11.483 14.943 7.128 1.00 33.34 O ATOM 0 H SER A 53 11.271 13.435 5.155 1.00 20.32 H new ATOM 0 HA SER A 53 11.008 11.677 7.522 1.00 64.23 H new ATOM 0 HB2 SER A 53 10.490 13.980 8.654 1.00 61.45 H new ATOM 0 HB3 SER A 53 12.156 13.489 8.423 1.00 61.45 H new ATOM 0 HG SER A 53 11.777 15.668 7.719 1.00 33.34 H new ATOM 827 N VAL A 54 8.608 11.550 7.036 1.00 1.10 N ATOM 828 CA VAL A 54 7.165 11.462 6.860 1.00 60.31 C ATOM 829 C VAL A 54 6.434 12.057 8.064 1.00 35.24 C ATOM 830 O VAL A 54 6.262 11.409 9.097 1.00 15.34 O ATOM 831 CB VAL A 54 6.701 10.008 6.601 1.00 42.23 C ATOM 832 CG1 VAL A 54 7.072 9.583 5.187 1.00 71.34 C ATOM 833 CG2 VAL A 54 7.307 9.042 7.614 1.00 4.21 C ATOM 0 H VAL A 54 9.046 10.690 7.365 1.00 1.10 H new ATOM 0 HA VAL A 54 6.911 12.046 5.976 1.00 60.31 H new ATOM 0 HB VAL A 54 5.617 9.977 6.713 1.00 42.23 H new ATOM 0 HG11 VAL A 54 6.741 8.559 5.016 1.00 71.34 H new ATOM 0 HG12 VAL A 54 6.588 10.245 4.469 1.00 71.34 H new ATOM 0 HG13 VAL A 54 8.153 9.640 5.062 1.00 71.34 H new ATOM 0 HG21 VAL A 54 6.961 8.030 7.404 1.00 4.21 H new ATOM 0 HG22 VAL A 54 8.394 9.076 7.544 1.00 4.21 H new ATOM 0 HG23 VAL A 54 6.999 9.329 8.620 1.00 4.21 H new ATOM 843 N ASN A 55 6.031 13.312 7.923 1.00 50.33 N ATOM 844 CA ASN A 55 5.383 14.041 9.007 1.00 40.43 C ATOM 845 C ASN A 55 3.902 14.237 8.718 1.00 11.03 C ATOM 846 O ASN A 55 3.045 13.795 9.480 1.00 53.42 O ATOM 847 CB ASN A 55 6.054 15.406 9.206 1.00 21.35 C ATOM 848 CG ASN A 55 5.404 16.230 10.303 1.00 73.21 C ATOM 849 OD1 ASN A 55 5.777 16.128 11.470 1.00 54.34 O ATOM 850 ND2 ASN A 55 4.445 17.067 9.936 1.00 43.33 N ATOM 0 H ASN A 55 6.142 13.850 7.064 1.00 50.33 H new ATOM 0 HA ASN A 55 5.487 13.453 9.919 1.00 40.43 H new ATOM 0 HB2 ASN A 55 7.107 15.256 9.447 1.00 21.35 H new ATOM 0 HB3 ASN A 55 6.017 15.963 8.270 1.00 21.35 H new ATOM 0 HD21 ASN A 55 3.988 17.656 10.632 1.00 43.33 H new ATOM 0 HD22 ASN A 55 4.164 17.123 8.957 1.00 43.33 H new ATOM 857 N SER A 56 3.609 14.884 7.599 1.00 4.40 N ATOM 858 CA SER A 56 2.244 15.276 7.277 1.00 2.03 C ATOM 859 C SER A 56 1.505 14.169 6.526 1.00 61.22 C ATOM 860 O SER A 56 0.371 14.354 6.079 1.00 61.30 O ATOM 861 CB SER A 56 2.270 16.551 6.441 1.00 21.03 C ATOM 862 OG SER A 56 3.080 17.543 7.050 1.00 32.41 O ATOM 0 H SER A 56 4.300 15.149 6.897 1.00 4.40 H new ATOM 0 HA SER A 56 1.708 15.455 8.209 1.00 2.03 H new ATOM 0 HB2 SER A 56 2.650 16.328 5.444 1.00 21.03 H new ATOM 0 HB3 SER A 56 1.255 16.930 6.318 1.00 21.03 H new ATOM 0 HG SER A 56 2.645 18.417 6.967 1.00 32.41 H new ATOM 868 N MET A 57 2.154 13.023 6.396 1.00 11.13 N ATOM 869 CA MET A 57 1.564 11.878 5.723 1.00 40.50 C ATOM 870 C MET A 57 1.770 10.625 6.562 1.00 10.43 C ATOM 871 O MET A 57 2.872 10.081 6.621 1.00 72.20 O ATOM 872 CB MET A 57 2.180 11.691 4.333 1.00 35.11 C ATOM 873 CG MET A 57 1.596 10.517 3.559 1.00 73.12 C ATOM 874 SD MET A 57 2.343 10.312 1.927 1.00 72.22 S ATOM 875 CE MET A 57 4.059 10.030 2.364 1.00 1.32 C ATOM 0 H MET A 57 3.097 12.861 6.751 1.00 11.13 H new ATOM 0 HA MET A 57 0.496 12.056 5.602 1.00 40.50 H new ATOM 0 HB2 MET A 57 2.036 12.604 3.755 1.00 35.11 H new ATOM 0 HB3 MET A 57 3.255 11.547 4.438 1.00 35.11 H new ATOM 0 HG2 MET A 57 1.736 9.602 4.135 1.00 73.12 H new ATOM 0 HG3 MET A 57 0.521 10.661 3.446 1.00 73.12 H new ATOM 0 HE1 MET A 57 4.584 9.594 1.514 1.00 1.32 H new ATOM 0 HE2 MET A 57 4.527 10.977 2.632 1.00 1.32 H new ATOM 0 HE3 MET A 57 4.111 9.347 3.212 1.00 1.32 H new ATOM 885 N ALA A 58 0.710 10.190 7.227 1.00 44.22 N ATOM 886 CA ALA A 58 0.777 9.014 8.079 1.00 73.54 C ATOM 887 C ALA A 58 0.229 7.793 7.356 1.00 12.40 C ATOM 888 O ALA A 58 -0.847 7.841 6.754 1.00 45.11 O ATOM 889 CB ALA A 58 0.020 9.254 9.377 1.00 62.04 C ATOM 0 H ALA A 58 -0.207 10.635 7.192 1.00 44.22 H new ATOM 0 HA ALA A 58 1.823 8.824 8.320 1.00 73.54 H new ATOM 0 HB1 ALA A 58 0.080 8.364 10.003 1.00 62.04 H new ATOM 0 HB2 ALA A 58 0.461 10.099 9.905 1.00 62.04 H new ATOM 0 HB3 ALA A 58 -1.025 9.471 9.154 1.00 62.04 H new ATOM 895 N LEU A 59 0.976 6.704 7.410 1.00 73.13 N ATOM 896 CA LEU A 59 0.570 5.468 6.764 1.00 14.11 C ATOM 897 C LEU A 59 -0.131 4.556 7.763 1.00 74.21 C ATOM 898 O LEU A 59 0.518 3.841 8.529 1.00 23.23 O ATOM 899 CB LEU A 59 1.785 4.752 6.167 1.00 35.44 C ATOM 900 CG LEU A 59 2.610 5.581 5.180 1.00 62.13 C ATOM 901 CD1 LEU A 59 3.813 4.791 4.693 1.00 13.22 C ATOM 902 CD2 LEU A 59 1.757 6.019 4.001 1.00 34.15 C ATOM 0 H LEU A 59 1.871 6.651 7.897 1.00 73.13 H new ATOM 0 HA LEU A 59 -0.124 5.712 5.959 1.00 14.11 H new ATOM 0 HB2 LEU A 59 2.435 4.433 6.982 1.00 35.44 H new ATOM 0 HB3 LEU A 59 1.442 3.849 5.661 1.00 35.44 H new ATOM 0 HG LEU A 59 2.965 6.471 5.699 1.00 62.13 H new ATOM 0 HD11 LEU A 59 4.387 5.397 3.992 1.00 13.22 H new ATOM 0 HD12 LEU A 59 4.442 4.525 5.543 1.00 13.22 H new ATOM 0 HD13 LEU A 59 3.474 3.883 4.194 1.00 13.22 H new ATOM 0 HD21 LEU A 59 2.363 6.607 3.312 1.00 34.15 H new ATOM 0 HD22 LEU A 59 1.371 5.140 3.485 1.00 34.15 H new ATOM 0 HD23 LEU A 59 0.925 6.625 4.359 1.00 34.15 H new ATOM 914 N GLU A 60 -1.452 4.609 7.777 1.00 23.54 N ATOM 915 CA GLU A 60 -2.238 3.784 8.678 1.00 14.11 C ATOM 916 C GLU A 60 -2.606 2.464 8.007 1.00 72.34 C ATOM 917 O GLU A 60 -3.341 2.441 7.018 1.00 41.01 O ATOM 918 CB GLU A 60 -3.500 4.529 9.112 1.00 65.21 C ATOM 919 CG GLU A 60 -3.225 5.740 9.990 1.00 61.21 C ATOM 920 CD GLU A 60 -2.778 5.366 11.389 1.00 13.44 C ATOM 921 OE1 GLU A 60 -1.588 5.033 11.572 1.00 35.14 O ATOM 922 OE2 GLU A 60 -3.618 5.410 12.315 1.00 71.32 O ATOM 0 H GLU A 60 -2.004 5.217 7.172 1.00 23.54 H new ATOM 0 HA GLU A 60 -1.639 3.567 9.562 1.00 14.11 H new ATOM 0 HB2 GLU A 60 -4.044 4.851 8.224 1.00 65.21 H new ATOM 0 HB3 GLU A 60 -4.150 3.840 9.652 1.00 65.21 H new ATOM 0 HG2 GLU A 60 -2.457 6.355 9.521 1.00 61.21 H new ATOM 0 HG3 GLU A 60 -4.127 6.349 10.053 1.00 61.21 H new ATOM 929 N LEU A 61 -2.085 1.371 8.544 1.00 12.31 N ATOM 930 CA LEU A 61 -2.335 0.047 7.991 1.00 11.20 C ATOM 931 C LEU A 61 -3.414 -0.674 8.790 1.00 15.33 C ATOM 932 O LEU A 61 -3.209 -1.026 9.957 1.00 24.21 O ATOM 933 CB LEU A 61 -1.042 -0.778 7.986 1.00 32.25 C ATOM 934 CG LEU A 61 -1.178 -2.209 7.466 1.00 13.41 C ATOM 935 CD1 LEU A 61 -1.610 -2.213 6.010 1.00 73.43 C ATOM 936 CD2 LEU A 61 0.134 -2.956 7.632 1.00 61.01 C ATOM 0 H LEU A 61 -1.483 1.375 9.367 1.00 12.31 H new ATOM 0 HA LEU A 61 -2.684 0.163 6.965 1.00 11.20 H new ATOM 0 HB2 LEU A 61 -0.302 -0.258 7.378 1.00 32.25 H new ATOM 0 HB3 LEU A 61 -0.651 -0.815 9.003 1.00 32.25 H new ATOM 0 HG LEU A 61 -1.945 -2.716 8.051 1.00 13.41 H new ATOM 0 HD11 LEU A 61 -1.701 -3.241 5.660 1.00 73.43 H new ATOM 0 HD12 LEU A 61 -2.573 -1.711 5.915 1.00 73.43 H new ATOM 0 HD13 LEU A 61 -0.867 -1.689 5.409 1.00 73.43 H new ATOM 0 HD21 LEU A 61 0.023 -3.974 7.258 1.00 61.01 H new ATOM 0 HD22 LEU A 61 0.917 -2.446 7.070 1.00 61.01 H new ATOM 0 HD23 LEU A 61 0.405 -2.985 8.687 1.00 61.01 H new ATOM 948 N TYR A 62 -4.563 -0.874 8.165 1.00 5.20 N ATOM 949 CA TYR A 62 -5.668 -1.591 8.792 1.00 12.25 C ATOM 950 C TYR A 62 -5.648 -3.048 8.355 1.00 5.50 C ATOM 951 O TYR A 62 -5.156 -3.366 7.269 1.00 14.03 O ATOM 952 CB TYR A 62 -7.020 -0.980 8.398 1.00 71.21 C ATOM 953 CG TYR A 62 -7.224 0.471 8.784 1.00 14.25 C ATOM 954 CD1 TYR A 62 -6.320 1.455 8.405 1.00 30.02 C ATOM 955 CD2 TYR A 62 -8.348 0.860 9.502 1.00 34.34 C ATOM 956 CE1 TYR A 62 -6.528 2.778 8.729 1.00 4.23 C ATOM 957 CE2 TYR A 62 -8.559 2.184 9.834 1.00 23.34 C ATOM 958 CZ TYR A 62 -7.644 3.139 9.444 1.00 74.11 C ATOM 959 OH TYR A 62 -7.859 4.466 9.749 1.00 21.02 O ATOM 0 H TYR A 62 -4.758 -0.549 7.218 1.00 5.20 H new ATOM 0 HA TYR A 62 -5.546 -1.515 9.872 1.00 12.25 H new ATOM 0 HB2 TYR A 62 -7.137 -1.069 7.318 1.00 71.21 H new ATOM 0 HB3 TYR A 62 -7.813 -1.573 8.855 1.00 71.21 H new ATOM 0 HD1 TYR A 62 -5.438 1.178 7.846 1.00 30.02 H new ATOM 0 HD2 TYR A 62 -9.069 0.115 9.806 1.00 34.34 H new ATOM 0 HE1 TYR A 62 -5.816 3.529 8.422 1.00 4.23 H new ATOM 0 HE2 TYR A 62 -9.436 2.470 10.396 1.00 23.34 H new ATOM 0 HH TYR A 62 -7.685 5.016 8.957 1.00 21.02 H new ATOM 969 N ASP A 63 -6.172 -3.927 9.194 1.00 60.23 N ATOM 970 CA ASP A 63 -6.327 -5.325 8.822 1.00 74.24 C ATOM 971 C ASP A 63 -7.764 -5.564 8.355 1.00 12.12 C ATOM 972 O ASP A 63 -8.574 -4.635 8.341 1.00 64.03 O ATOM 973 CB ASP A 63 -5.970 -6.241 10.001 1.00 22.44 C ATOM 974 CG ASP A 63 -7.159 -6.579 10.879 1.00 21.23 C ATOM 975 OD1 ASP A 63 -7.750 -5.661 11.481 1.00 13.32 O ATOM 976 OD2 ASP A 63 -7.519 -7.775 10.949 1.00 43.22 O ATOM 0 H ASP A 63 -6.496 -3.699 10.134 1.00 60.23 H new ATOM 0 HA ASP A 63 -5.645 -5.561 8.005 1.00 74.24 H new ATOM 0 HB2 ASP A 63 -5.537 -7.164 9.617 1.00 22.44 H new ATOM 0 HB3 ASP A 63 -5.204 -5.758 10.608 1.00 22.44 H new ATOM 981 N ASP A 64 -8.080 -6.798 7.978 1.00 61.42 N ATOM 982 CA ASP A 64 -9.406 -7.122 7.450 1.00 53.44 C ATOM 983 C ASP A 64 -10.487 -7.005 8.529 1.00 40.52 C ATOM 984 O ASP A 64 -11.652 -6.739 8.229 1.00 65.21 O ATOM 985 CB ASP A 64 -9.418 -8.530 6.851 1.00 31.34 C ATOM 986 CG ASP A 64 -10.785 -8.919 6.318 1.00 40.21 C ATOM 987 OD1 ASP A 64 -11.158 -8.454 5.221 1.00 62.04 O ATOM 988 OD2 ASP A 64 -11.491 -9.699 6.993 1.00 42.03 O ATOM 0 H ASP A 64 -7.440 -7.591 8.027 1.00 61.42 H new ATOM 0 HA ASP A 64 -9.630 -6.398 6.666 1.00 53.44 H new ATOM 0 HB2 ASP A 64 -8.687 -8.585 6.044 1.00 31.34 H new ATOM 0 HB3 ASP A 64 -9.109 -9.248 7.611 1.00 31.34 H new ATOM 993 N SER A 65 -10.094 -7.193 9.781 1.00 1.34 N ATOM 994 CA SER A 65 -11.031 -7.111 10.893 1.00 4.33 C ATOM 995 C SER A 65 -11.447 -5.662 11.131 1.00 31.44 C ATOM 996 O SER A 65 -12.600 -5.383 11.457 1.00 54.14 O ATOM 997 CB SER A 65 -10.401 -7.689 12.159 1.00 65.41 C ATOM 998 OG SER A 65 -9.711 -8.892 11.871 1.00 72.53 O ATOM 0 H SER A 65 -9.133 -7.403 10.052 1.00 1.34 H new ATOM 0 HA SER A 65 -11.918 -7.694 10.643 1.00 4.33 H new ATOM 0 HB2 SER A 65 -9.712 -6.964 12.592 1.00 65.41 H new ATOM 0 HB3 SER A 65 -11.175 -7.877 12.903 1.00 65.41 H new ATOM 0 HG SER A 65 -8.761 -8.698 11.729 1.00 72.53 H new ATOM 1004 N GLY A 66 -10.503 -4.746 10.951 1.00 60.32 N ATOM 1005 CA GLY A 66 -10.790 -3.337 11.140 1.00 64.33 C ATOM 1006 C GLY A 66 -9.952 -2.723 12.240 1.00 61.40 C ATOM 1007 O GLY A 66 -10.345 -1.728 12.861 1.00 43.23 O ATOM 0 H GLY A 66 -9.543 -4.954 10.677 1.00 60.32 H new ATOM 0 HA2 GLY A 66 -10.609 -2.803 10.207 1.00 64.33 H new ATOM 0 HA3 GLY A 66 -11.846 -3.212 11.378 1.00 64.33 H new ATOM 1011 N SER A 67 -8.800 -3.319 12.491 1.00 64.53 N ATOM 1012 CA SER A 67 -7.884 -2.822 13.498 1.00 1.31 C ATOM 1013 C SER A 67 -6.599 -2.331 12.846 1.00 31.30 C ATOM 1014 O SER A 67 -6.209 -2.820 11.785 1.00 41.45 O ATOM 1015 CB SER A 67 -7.574 -3.925 14.510 1.00 52.52 C ATOM 1016 OG SER A 67 -8.764 -4.398 15.128 1.00 25.22 O ATOM 0 H SER A 67 -8.476 -4.155 12.005 1.00 64.53 H new ATOM 0 HA SER A 67 -8.352 -1.986 14.018 1.00 1.31 H new ATOM 0 HB2 SER A 67 -7.067 -4.750 14.010 1.00 52.52 H new ATOM 0 HB3 SER A 67 -6.891 -3.545 15.270 1.00 52.52 H new ATOM 0 HG SER A 67 -8.541 -5.104 15.770 1.00 25.22 H new ATOM 1022 N LYS A 68 -5.955 -1.354 13.470 1.00 4.51 N ATOM 1023 CA LYS A 68 -4.682 -0.858 12.973 1.00 0.42 C ATOM 1024 C LYS A 68 -3.540 -1.759 13.437 1.00 41.53 C ATOM 1025 O LYS A 68 -3.305 -1.932 14.632 1.00 31.13 O ATOM 1026 CB LYS A 68 -4.446 0.613 13.372 1.00 63.23 C ATOM 1027 CG LYS A 68 -5.092 1.050 14.686 1.00 73.05 C ATOM 1028 CD LYS A 68 -4.346 0.533 15.909 1.00 31.11 C ATOM 1029 CE LYS A 68 -4.963 1.062 17.193 1.00 2.30 C ATOM 1030 NZ LYS A 68 -4.256 0.571 18.405 1.00 31.14 N ATOM 0 H LYS A 68 -6.291 -0.893 14.315 1.00 4.51 H new ATOM 0 HA LYS A 68 -4.713 -0.885 11.884 1.00 0.42 H new ATOM 0 HB2 LYS A 68 -3.372 0.785 13.441 1.00 63.23 H new ATOM 0 HB3 LYS A 68 -4.821 1.253 12.573 1.00 63.23 H new ATOM 0 HG2 LYS A 68 -5.131 2.139 14.723 1.00 73.05 H new ATOM 0 HG3 LYS A 68 -6.122 0.693 14.716 1.00 73.05 H new ATOM 0 HD2 LYS A 68 -4.364 -0.557 15.916 1.00 31.11 H new ATOM 0 HD3 LYS A 68 -3.300 0.834 15.854 1.00 31.11 H new ATOM 0 HE2 LYS A 68 -4.943 2.152 17.180 1.00 2.30 H new ATOM 0 HE3 LYS A 68 -6.010 0.763 17.240 1.00 2.30 H new ATOM 0 HZ1 LYS A 68 -4.713 0.959 19.255 1.00 31.14 H new ATOM 0 HZ2 LYS A 68 -4.296 -0.468 18.434 1.00 31.14 H new ATOM 0 HZ3 LYS A 68 -3.263 0.878 18.376 1.00 31.14 H new ATOM 1044 N VAL A 69 -2.854 -2.354 12.477 1.00 71.12 N ATOM 1045 CA VAL A 69 -1.775 -3.291 12.766 1.00 44.30 C ATOM 1046 C VAL A 69 -0.421 -2.692 12.394 1.00 1.31 C ATOM 1047 O VAL A 69 0.602 -3.380 12.404 1.00 11.42 O ATOM 1048 CB VAL A 69 -1.975 -4.627 12.015 1.00 22.04 C ATOM 1049 CG1 VAL A 69 -3.212 -5.349 12.528 1.00 0.11 C ATOM 1050 CG2 VAL A 69 -2.078 -4.393 10.515 1.00 40.14 C ATOM 0 H VAL A 69 -3.025 -2.205 11.482 1.00 71.12 H new ATOM 0 HA VAL A 69 -1.795 -3.488 13.838 1.00 44.30 H new ATOM 0 HB VAL A 69 -1.105 -5.256 12.203 1.00 22.04 H new ATOM 0 HG11 VAL A 69 -3.336 -6.287 11.987 1.00 0.11 H new ATOM 0 HG12 VAL A 69 -3.097 -5.556 13.592 1.00 0.11 H new ATOM 0 HG13 VAL A 69 -4.090 -4.722 12.373 1.00 0.11 H new ATOM 0 HG21 VAL A 69 -2.218 -5.347 10.007 1.00 40.14 H new ATOM 0 HG22 VAL A 69 -2.927 -3.742 10.306 1.00 40.14 H new ATOM 0 HG23 VAL A 69 -1.163 -3.922 10.156 1.00 40.14 H new ATOM 1060 N ALA A 70 -0.428 -1.402 12.084 1.00 63.54 N ATOM 1061 CA ALA A 70 0.780 -0.698 11.684 1.00 11.43 C ATOM 1062 C ALA A 70 1.700 -0.458 12.876 1.00 14.44 C ATOM 1063 O ALA A 70 1.450 0.422 13.701 1.00 32.05 O ATOM 1064 CB ALA A 70 0.427 0.624 11.021 1.00 41.23 C ATOM 0 H ALA A 70 -1.265 -0.819 12.103 1.00 63.54 H new ATOM 0 HA ALA A 70 1.311 -1.325 10.967 1.00 11.43 H new ATOM 0 HB1 ALA A 70 1.341 1.139 10.727 1.00 41.23 H new ATOM 0 HB2 ALA A 70 -0.184 0.436 10.138 1.00 41.23 H new ATOM 0 HB3 ALA A 70 -0.130 1.245 11.722 1.00 41.23 H new ATOM 1070 N VAL A 71 2.751 -1.257 12.970 1.00 32.24 N ATOM 1071 CA VAL A 71 3.741 -1.094 14.020 1.00 73.01 C ATOM 1072 C VAL A 71 5.148 -1.294 13.458 1.00 55.22 C ATOM 1073 O VAL A 71 5.477 -2.356 12.924 1.00 43.33 O ATOM 1074 CB VAL A 71 3.477 -2.053 15.212 1.00 30.12 C ATOM 1075 CG1 VAL A 71 3.458 -3.511 14.770 1.00 0.42 C ATOM 1076 CG2 VAL A 71 4.498 -1.835 16.316 1.00 75.03 C ATOM 0 H VAL A 71 2.940 -2.027 12.329 1.00 32.24 H new ATOM 0 HA VAL A 71 3.659 -0.076 14.402 1.00 73.01 H new ATOM 0 HB VAL A 71 2.488 -1.820 15.607 1.00 30.12 H new ATOM 0 HG11 VAL A 71 3.270 -4.150 15.633 1.00 0.42 H new ATOM 0 HG12 VAL A 71 2.669 -3.657 14.032 1.00 0.42 H new ATOM 0 HG13 VAL A 71 4.420 -3.770 14.329 1.00 0.42 H new ATOM 0 HG21 VAL A 71 4.293 -2.518 17.141 1.00 75.03 H new ATOM 0 HG22 VAL A 71 5.499 -2.024 15.928 1.00 75.03 H new ATOM 0 HG23 VAL A 71 4.435 -0.807 16.672 1.00 75.03 H new ATOM 1086 N LEU A 72 5.969 -0.257 13.549 1.00 60.04 N ATOM 1087 CA LEU A 72 7.313 -0.301 12.988 1.00 13.45 C ATOM 1088 C LEU A 72 8.284 -0.960 13.958 1.00 11.24 C ATOM 1089 O LEU A 72 9.059 -0.288 14.635 1.00 32.11 O ATOM 1090 CB LEU A 72 7.810 1.101 12.615 1.00 22.00 C ATOM 1091 CG LEU A 72 7.112 1.768 11.420 1.00 43.14 C ATOM 1092 CD1 LEU A 72 7.082 0.830 10.223 1.00 62.34 C ATOM 1093 CD2 LEU A 72 5.702 2.218 11.783 1.00 34.00 C ATOM 0 H LEU A 72 5.729 0.623 14.005 1.00 60.04 H new ATOM 0 HA LEU A 72 7.267 -0.899 12.078 1.00 13.45 H new ATOM 0 HB2 LEU A 72 7.696 1.748 13.484 1.00 22.00 H new ATOM 0 HB3 LEU A 72 8.877 1.041 12.400 1.00 22.00 H new ATOM 0 HG LEU A 72 7.687 2.654 11.151 1.00 43.14 H new ATOM 0 HD11 LEU A 72 6.583 1.322 9.388 1.00 62.34 H new ATOM 0 HD12 LEU A 72 8.102 0.573 9.936 1.00 62.34 H new ATOM 0 HD13 LEU A 72 6.539 -0.078 10.486 1.00 62.34 H new ATOM 0 HD21 LEU A 72 5.235 2.686 10.916 1.00 34.00 H new ATOM 0 HD22 LEU A 72 5.112 1.354 12.091 1.00 34.00 H new ATOM 0 HD23 LEU A 72 5.749 2.936 12.602 1.00 34.00 H new ATOM 1105 N SER A 73 8.199 -2.275 14.054 1.00 72.13 N ATOM 1106 CA SER A 73 9.124 -3.050 14.864 1.00 10.45 C ATOM 1107 C SER A 73 9.898 -4.015 13.976 1.00 24.21 C ATOM 1108 O SER A 73 11.114 -4.144 14.088 1.00 5.11 O ATOM 1109 CB SER A 73 8.364 -3.804 15.957 1.00 40.12 C ATOM 1110 OG SER A 73 7.608 -2.905 16.757 1.00 55.24 O ATOM 0 H SER A 73 7.492 -2.834 13.576 1.00 72.13 H new ATOM 0 HA SER A 73 9.833 -2.377 15.347 1.00 10.45 H new ATOM 0 HB2 SER A 73 7.701 -4.540 15.503 1.00 40.12 H new ATOM 0 HB3 SER A 73 9.068 -4.352 16.584 1.00 40.12 H new ATOM 0 HG SER A 73 7.128 -3.407 17.449 1.00 55.24 H new ATOM 1116 N ASP A 74 9.182 -4.678 13.077 1.00 50.24 N ATOM 1117 CA ASP A 74 9.806 -5.530 12.078 1.00 2.25 C ATOM 1118 C ASP A 74 9.557 -4.959 10.696 1.00 42.03 C ATOM 1119 O ASP A 74 8.613 -5.346 10.009 1.00 44.44 O ATOM 1120 CB ASP A 74 9.281 -6.963 12.160 1.00 55.42 C ATOM 1121 CG ASP A 74 9.908 -7.757 13.287 1.00 11.31 C ATOM 1122 OD1 ASP A 74 11.001 -8.328 13.080 1.00 24.35 O ATOM 1123 OD2 ASP A 74 9.312 -7.817 14.382 1.00 65.53 O ATOM 0 H ASP A 74 8.164 -4.640 13.021 1.00 50.24 H new ATOM 0 HA ASP A 74 10.878 -5.559 12.273 1.00 2.25 H new ATOM 0 HB2 ASP A 74 8.200 -6.941 12.296 1.00 55.42 H new ATOM 0 HB3 ASP A 74 9.474 -7.470 11.214 1.00 55.42 H new ATOM 1128 N ASP A 75 10.387 -4.006 10.311 1.00 51.41 N ATOM 1129 CA ASP A 75 10.231 -3.317 9.036 1.00 62.22 C ATOM 1130 C ASP A 75 11.128 -3.933 7.975 1.00 4.03 C ATOM 1131 O ASP A 75 10.922 -3.738 6.778 1.00 60.32 O ATOM 1132 CB ASP A 75 10.566 -1.829 9.188 1.00 53.35 C ATOM 1133 CG ASP A 75 12.028 -1.589 9.515 1.00 35.12 C ATOM 1134 OD1 ASP A 75 12.851 -1.542 8.580 1.00 31.23 O ATOM 1135 OD2 ASP A 75 12.359 -1.454 10.711 1.00 33.25 O ATOM 0 H ASP A 75 11.182 -3.688 10.865 1.00 51.41 H new ATOM 0 HA ASP A 75 9.192 -3.422 8.723 1.00 62.22 H new ATOM 0 HB2 ASP A 75 10.314 -1.308 8.264 1.00 53.35 H new ATOM 0 HB3 ASP A 75 9.946 -1.400 9.975 1.00 53.35 H new ATOM 1140 N SER A 76 12.113 -4.693 8.416 1.00 71.23 N ATOM 1141 CA SER A 76 13.105 -5.249 7.513 1.00 63.22 C ATOM 1142 C SER A 76 12.756 -6.692 7.143 1.00 25.02 C ATOM 1143 O SER A 76 13.610 -7.452 6.684 1.00 61.01 O ATOM 1144 CB SER A 76 14.480 -5.176 8.177 1.00 31.13 C ATOM 1145 OG SER A 76 14.741 -3.862 8.658 1.00 44.02 O ATOM 0 H SER A 76 12.248 -4.940 9.396 1.00 71.23 H new ATOM 0 HA SER A 76 13.118 -4.669 6.591 1.00 63.22 H new ATOM 0 HB2 SER A 76 14.528 -5.886 9.002 1.00 31.13 H new ATOM 0 HB3 SER A 76 15.250 -5.466 7.462 1.00 31.13 H new ATOM 0 HG SER A 76 14.016 -3.263 8.382 1.00 44.02 H new ATOM 1151 N ARG A 77 11.491 -7.056 7.327 1.00 65.45 N ATOM 1152 CA ARG A 77 11.033 -8.413 7.045 1.00 4.45 C ATOM 1153 C ARG A 77 10.050 -8.392 5.880 1.00 45.41 C ATOM 1154 O ARG A 77 9.398 -7.375 5.637 1.00 52.52 O ATOM 1155 CB ARG A 77 10.333 -9.018 8.273 1.00 10.03 C ATOM 1156 CG ARG A 77 10.918 -8.591 9.612 1.00 2.34 C ATOM 1157 CD ARG A 77 12.365 -9.023 9.783 1.00 4.52 C ATOM 1158 NE ARG A 77 12.511 -10.476 9.829 1.00 64.35 N ATOM 1159 CZ ARG A 77 12.672 -11.172 10.952 1.00 72.05 C ATOM 1160 NH1 ARG A 77 12.579 -10.566 12.133 1.00 42.43 N ATOM 1161 NH2 ARG A 77 12.884 -12.481 10.899 1.00 72.42 N ATOM 0 H ARG A 77 10.763 -6.429 7.671 1.00 65.45 H new ATOM 0 HA ARG A 77 11.902 -9.021 6.793 1.00 4.45 H new ATOM 0 HB2 ARG A 77 9.279 -8.741 8.247 1.00 10.03 H new ATOM 0 HB3 ARG A 77 10.378 -10.105 8.202 1.00 10.03 H new ATOM 0 HG2 ARG A 77 10.853 -7.507 9.703 1.00 2.34 H new ATOM 0 HG3 ARG A 77 10.319 -9.015 10.418 1.00 2.34 H new ATOM 0 HD2 ARG A 77 12.959 -8.627 8.960 1.00 4.52 H new ATOM 0 HD3 ARG A 77 12.764 -8.591 10.701 1.00 4.52 H new ATOM 0 HE ARG A 77 12.488 -10.988 8.947 1.00 64.35 H new ATOM 0 HH11 ARG A 77 12.384 -9.566 12.179 1.00 42.43 H new ATOM 0 HH12 ARG A 77 12.703 -11.102 12.992 1.00 42.43 H new ATOM 0 HH21 ARG A 77 12.924 -12.955 9.997 1.00 72.42 H new ATOM 0 HH22 ARG A 77 13.007 -13.013 11.761 1.00 72.42 H new ATOM 1175 N PRO A 78 9.948 -9.496 5.125 1.00 44.25 N ATOM 1176 CA PRO A 78 8.907 -9.650 4.110 1.00 55.24 C ATOM 1177 C PRO A 78 7.540 -9.875 4.756 1.00 54.23 C ATOM 1178 O PRO A 78 7.234 -10.971 5.226 1.00 21.41 O ATOM 1179 CB PRO A 78 9.355 -10.883 3.321 1.00 3.22 C ATOM 1180 CG PRO A 78 10.186 -11.669 4.282 1.00 34.34 C ATOM 1181 CD PRO A 78 10.845 -10.664 5.188 1.00 63.54 C ATOM 0 HA PRO A 78 8.792 -8.766 3.483 1.00 55.24 H new ATOM 0 HB2 PRO A 78 8.500 -11.462 2.972 1.00 3.22 H new ATOM 0 HB3 PRO A 78 9.930 -10.601 2.439 1.00 3.22 H new ATOM 0 HG2 PRO A 78 9.569 -12.362 4.854 1.00 34.34 H new ATOM 0 HG3 PRO A 78 10.931 -12.265 3.755 1.00 34.34 H new ATOM 0 HD2 PRO A 78 10.938 -11.043 6.206 1.00 63.54 H new ATOM 0 HD3 PRO A 78 11.850 -10.416 4.847 1.00 63.54 H new ATOM 1189 N LEU A 79 6.730 -8.823 4.804 1.00 14.41 N ATOM 1190 CA LEU A 79 5.441 -8.878 5.487 1.00 72.10 C ATOM 1191 C LEU A 79 4.497 -9.877 4.825 1.00 34.25 C ATOM 1192 O LEU A 79 3.697 -10.525 5.500 1.00 3.13 O ATOM 1193 CB LEU A 79 4.797 -7.489 5.530 1.00 32.22 C ATOM 1194 CG LEU A 79 5.592 -6.432 6.298 1.00 23.34 C ATOM 1195 CD1 LEU A 79 4.855 -5.102 6.287 1.00 62.41 C ATOM 1196 CD2 LEU A 79 5.854 -6.891 7.729 1.00 3.25 C ATOM 0 H LEU A 79 6.943 -7.921 4.378 1.00 14.41 H new ATOM 0 HA LEU A 79 5.623 -9.216 6.507 1.00 72.10 H new ATOM 0 HB2 LEU A 79 4.651 -7.141 4.507 1.00 32.22 H new ATOM 0 HB3 LEU A 79 3.808 -7.577 5.981 1.00 32.22 H new ATOM 0 HG LEU A 79 6.554 -6.296 5.803 1.00 23.34 H new ATOM 0 HD11 LEU A 79 5.434 -4.361 6.838 1.00 62.41 H new ATOM 0 HD12 LEU A 79 4.723 -4.768 5.258 1.00 62.41 H new ATOM 0 HD13 LEU A 79 3.879 -5.223 6.757 1.00 62.41 H new ATOM 0 HD21 LEU A 79 6.421 -6.125 8.259 1.00 3.25 H new ATOM 0 HD22 LEU A 79 4.904 -7.056 8.238 1.00 3.25 H new ATOM 0 HD23 LEU A 79 6.424 -7.820 7.715 1.00 3.25 H new ATOM 1208 N GLY A 80 4.624 -10.033 3.512 1.00 43.24 N ATOM 1209 CA GLY A 80 3.759 -10.942 2.779 1.00 12.35 C ATOM 1210 C GLY A 80 4.162 -12.396 2.937 1.00 15.10 C ATOM 1211 O GLY A 80 3.676 -13.266 2.211 1.00 45.15 O ATOM 0 H GLY A 80 5.313 -9.545 2.939 1.00 43.24 H new ATOM 0 HA2 GLY A 80 2.732 -10.815 3.123 1.00 12.35 H new ATOM 0 HA3 GLY A 80 3.776 -10.678 1.722 1.00 12.35 H new ATOM 1215 N PHE A 81 5.068 -12.662 3.868 1.00 42.01 N ATOM 1216 CA PHE A 81 5.454 -14.028 4.184 1.00 53.30 C ATOM 1217 C PHE A 81 4.582 -14.556 5.320 1.00 3.43 C ATOM 1218 O PHE A 81 4.421 -15.764 5.487 1.00 44.34 O ATOM 1219 CB PHE A 81 6.939 -14.098 4.564 1.00 42.23 C ATOM 1220 CG PHE A 81 7.450 -15.496 4.762 1.00 5.32 C ATOM 1221 CD1 PHE A 81 7.694 -16.318 3.675 1.00 11.22 C ATOM 1222 CD2 PHE A 81 7.687 -15.988 6.037 1.00 23.21 C ATOM 1223 CE1 PHE A 81 8.165 -17.603 3.853 1.00 43.00 C ATOM 1224 CE2 PHE A 81 8.159 -17.273 6.221 1.00 73.00 C ATOM 1225 CZ PHE A 81 8.396 -18.082 5.127 1.00 51.21 C ATOM 0 H PHE A 81 5.549 -11.949 4.417 1.00 42.01 H new ATOM 0 HA PHE A 81 5.305 -14.651 3.302 1.00 53.30 H new ATOM 0 HB2 PHE A 81 7.527 -13.614 3.784 1.00 42.23 H new ATOM 0 HB3 PHE A 81 7.097 -13.530 5.481 1.00 42.23 H new ATOM 0 HD1 PHE A 81 7.514 -15.949 2.676 1.00 11.22 H new ATOM 0 HD2 PHE A 81 7.500 -15.360 6.895 1.00 23.21 H new ATOM 0 HE1 PHE A 81 8.353 -18.233 2.996 1.00 43.00 H new ATOM 0 HE2 PHE A 81 8.342 -17.644 7.218 1.00 73.00 H new ATOM 0 HZ PHE A 81 8.762 -19.088 5.268 1.00 51.21 H new ATOM 1235 N PHE A 82 4.014 -13.633 6.090 1.00 41.12 N ATOM 1236 CA PHE A 82 3.103 -13.988 7.171 1.00 14.23 C ATOM 1237 C PHE A 82 1.788 -14.474 6.575 1.00 61.54 C ATOM 1238 O PHE A 82 1.281 -15.541 6.924 1.00 12.22 O ATOM 1239 CB PHE A 82 2.868 -12.771 8.075 1.00 53.03 C ATOM 1240 CG PHE A 82 2.009 -13.050 9.277 1.00 73.02 C ATOM 1241 CD1 PHE A 82 2.567 -13.556 10.441 1.00 10.24 C ATOM 1242 CD2 PHE A 82 0.646 -12.792 9.251 1.00 41.31 C ATOM 1243 CE1 PHE A 82 1.785 -13.801 11.552 1.00 63.13 C ATOM 1244 CE2 PHE A 82 -0.141 -13.038 10.359 1.00 30.05 C ATOM 1245 CZ PHE A 82 0.429 -13.542 11.512 1.00 44.31 C ATOM 0 H PHE A 82 4.170 -12.631 5.984 1.00 41.12 H new ATOM 0 HA PHE A 82 3.538 -14.785 7.775 1.00 14.23 H new ATOM 0 HB2 PHE A 82 3.833 -12.392 8.412 1.00 53.03 H new ATOM 0 HB3 PHE A 82 2.403 -11.980 7.486 1.00 53.03 H new ATOM 0 HD1 PHE A 82 3.627 -13.761 10.479 1.00 10.24 H new ATOM 0 HD2 PHE A 82 0.195 -12.394 8.354 1.00 41.31 H new ATOM 0 HE1 PHE A 82 2.233 -14.195 12.452 1.00 63.13 H new ATOM 0 HE2 PHE A 82 -1.201 -12.836 10.324 1.00 30.05 H new ATOM 0 HZ PHE A 82 -0.184 -13.733 12.380 1.00 44.31 H new ATOM 1255 N SER A 83 1.256 -13.674 5.667 1.00 35.01 N ATOM 1256 CA SER A 83 0.077 -14.026 4.907 1.00 2.31 C ATOM 1257 C SER A 83 0.098 -13.258 3.592 1.00 12.11 C ATOM 1258 O SER A 83 0.711 -12.191 3.519 1.00 4.32 O ATOM 1259 CB SER A 83 -1.196 -13.712 5.707 1.00 42.32 C ATOM 1260 OG SER A 83 -1.204 -12.373 6.174 1.00 14.30 O ATOM 0 H SER A 83 1.636 -12.756 5.437 1.00 35.01 H new ATOM 0 HA SER A 83 0.077 -15.096 4.701 1.00 2.31 H new ATOM 0 HB2 SER A 83 -2.071 -13.884 5.081 1.00 42.32 H new ATOM 0 HB3 SER A 83 -1.271 -14.394 6.554 1.00 42.32 H new ATOM 0 HG SER A 83 -2.102 -12.143 6.494 1.00 14.30 H new ATOM 1266 N PRO A 84 -0.525 -13.800 2.528 1.00 43.41 N ATOM 1267 CA PRO A 84 -0.621 -13.109 1.240 1.00 45.22 C ATOM 1268 C PRO A 84 -1.181 -11.702 1.402 1.00 1.55 C ATOM 1269 O PRO A 84 -0.498 -10.717 1.120 1.00 13.21 O ATOM 1270 CB PRO A 84 -1.582 -13.987 0.434 1.00 75.13 C ATOM 1271 CG PRO A 84 -1.451 -15.343 1.035 1.00 35.32 C ATOM 1272 CD PRO A 84 -1.173 -15.123 2.497 1.00 40.44 C ATOM 0 HA PRO A 84 0.350 -12.982 0.761 1.00 45.22 H new ATOM 0 HB2 PRO A 84 -2.606 -13.620 0.504 1.00 75.13 H new ATOM 0 HB3 PRO A 84 -1.318 -13.996 -0.623 1.00 75.13 H new ATOM 0 HG2 PRO A 84 -2.364 -15.922 0.894 1.00 35.32 H new ATOM 0 HG3 PRO A 84 -0.643 -15.902 0.564 1.00 35.32 H new ATOM 0 HD2 PRO A 84 -2.090 -15.135 3.086 1.00 40.44 H new ATOM 0 HD3 PRO A 84 -0.523 -15.898 2.903 1.00 40.44 H new ATOM 1280 N PHE A 85 -2.423 -11.620 1.864 1.00 12.43 N ATOM 1281 CA PHE A 85 -3.052 -10.347 2.182 1.00 43.20 C ATOM 1282 C PHE A 85 -4.430 -10.569 2.802 1.00 24.42 C ATOM 1283 O PHE A 85 -5.406 -10.845 2.108 1.00 31.42 O ATOM 1284 CB PHE A 85 -3.131 -9.409 0.955 1.00 43.12 C ATOM 1285 CG PHE A 85 -3.813 -9.979 -0.263 1.00 10.22 C ATOM 1286 CD1 PHE A 85 -3.143 -10.849 -1.109 1.00 74.32 C ATOM 1287 CD2 PHE A 85 -5.117 -9.626 -0.569 1.00 34.12 C ATOM 1288 CE1 PHE A 85 -3.761 -11.361 -2.230 1.00 20.54 C ATOM 1289 CE2 PHE A 85 -5.739 -10.133 -1.691 1.00 53.11 C ATOM 1290 CZ PHE A 85 -5.060 -11.003 -2.521 1.00 61.21 C ATOM 0 H PHE A 85 -3.019 -12.431 2.028 1.00 12.43 H new ATOM 0 HA PHE A 85 -2.421 -9.846 2.916 1.00 43.20 H new ATOM 0 HB2 PHE A 85 -3.655 -8.500 1.249 1.00 43.12 H new ATOM 0 HB3 PHE A 85 -2.118 -9.118 0.678 1.00 43.12 H new ATOM 0 HD1 PHE A 85 -2.124 -11.129 -0.887 1.00 74.32 H new ATOM 0 HD2 PHE A 85 -5.652 -8.947 0.078 1.00 34.12 H new ATOM 0 HE1 PHE A 85 -3.229 -12.041 -2.879 1.00 20.54 H new ATOM 0 HE2 PHE A 85 -6.756 -9.850 -1.920 1.00 53.11 H new ATOM 0 HZ PHE A 85 -5.547 -11.403 -3.398 1.00 61.21 H new ATOM 1300 N ASP A 86 -4.485 -10.498 4.129 1.00 33.24 N ATOM 1301 CA ASP A 86 -5.752 -10.591 4.852 1.00 35.41 C ATOM 1302 C ASP A 86 -6.702 -9.497 4.398 1.00 55.51 C ATOM 1303 O ASP A 86 -7.791 -9.766 3.887 1.00 23.31 O ATOM 1304 CB ASP A 86 -5.530 -10.464 6.363 1.00 22.34 C ATOM 1305 CG ASP A 86 -5.049 -11.748 7.002 1.00 52.10 C ATOM 1306 OD1 ASP A 86 -3.836 -12.033 6.949 1.00 62.11 O ATOM 1307 OD2 ASP A 86 -5.887 -12.474 7.577 1.00 3.22 O ATOM 0 H ASP A 86 -3.667 -10.376 4.727 1.00 33.24 H new ATOM 0 HA ASP A 86 -6.186 -11.567 4.635 1.00 35.41 H new ATOM 0 HB2 ASP A 86 -4.801 -9.676 6.552 1.00 22.34 H new ATOM 0 HB3 ASP A 86 -6.462 -10.156 6.837 1.00 22.34 H new ATOM 1312 N GLY A 87 -6.273 -8.265 4.592 1.00 23.24 N ATOM 1313 CA GLY A 87 -7.072 -7.121 4.219 1.00 53.13 C ATOM 1314 C GLY A 87 -6.346 -5.839 4.536 1.00 64.32 C ATOM 1315 O GLY A 87 -6.868 -4.980 5.239 1.00 25.12 O ATOM 0 H GLY A 87 -5.371 -8.033 5.008 1.00 23.24 H new ATOM 0 HA2 GLY A 87 -7.300 -7.162 3.154 1.00 53.13 H new ATOM 0 HA3 GLY A 87 -8.024 -7.147 4.750 1.00 53.13 H new ATOM 1319 N PHE A 88 -5.126 -5.730 4.025 1.00 74.15 N ATOM 1320 CA PHE A 88 -4.278 -4.581 4.302 1.00 35.34 C ATOM 1321 C PHE A 88 -4.838 -3.330 3.647 1.00 41.34 C ATOM 1322 O PHE A 88 -4.705 -3.130 2.435 1.00 52.13 O ATOM 1323 CB PHE A 88 -2.849 -4.845 3.826 1.00 51.54 C ATOM 1324 CG PHE A 88 -2.201 -6.020 4.507 1.00 45.22 C ATOM 1325 CD1 PHE A 88 -1.815 -5.940 5.837 1.00 1.21 C ATOM 1326 CD2 PHE A 88 -1.972 -7.200 3.818 1.00 51.04 C ATOM 1327 CE1 PHE A 88 -1.214 -7.017 6.465 1.00 34.10 C ATOM 1328 CE2 PHE A 88 -1.373 -8.280 4.442 1.00 0.32 C ATOM 1329 CZ PHE A 88 -0.993 -8.188 5.765 1.00 13.12 C ATOM 0 H PHE A 88 -4.702 -6.428 3.414 1.00 74.15 H new ATOM 0 HA PHE A 88 -4.258 -4.420 5.380 1.00 35.34 H new ATOM 0 HB2 PHE A 88 -2.858 -5.018 2.750 1.00 51.54 H new ATOM 0 HB3 PHE A 88 -2.245 -3.955 4.001 1.00 51.54 H new ATOM 0 HD1 PHE A 88 -1.985 -5.027 6.389 1.00 1.21 H new ATOM 0 HD2 PHE A 88 -2.265 -7.278 2.781 1.00 51.04 H new ATOM 0 HE1 PHE A 88 -0.918 -6.942 7.501 1.00 34.10 H new ATOM 0 HE2 PHE A 88 -1.203 -9.195 3.894 1.00 0.32 H new ATOM 0 HZ PHE A 88 -0.524 -9.030 6.253 1.00 13.12 H new ATOM 1339 N ARG A 89 -5.491 -2.509 4.447 1.00 15.01 N ATOM 1340 CA ARG A 89 -6.083 -1.281 3.955 1.00 24.32 C ATOM 1341 C ARG A 89 -5.212 -0.097 4.318 1.00 50.42 C ATOM 1342 O ARG A 89 -5.021 0.208 5.497 1.00 62.33 O ATOM 1343 CB ARG A 89 -7.489 -1.107 4.526 1.00 35.33 C ATOM 1344 CG ARG A 89 -8.454 -2.182 4.071 1.00 41.14 C ATOM 1345 CD ARG A 89 -8.612 -2.162 2.563 1.00 0.11 C ATOM 1346 NE ARG A 89 -9.424 -3.274 2.073 1.00 30.42 N ATOM 1347 CZ ARG A 89 -10.427 -3.128 1.216 1.00 30.52 C ATOM 1348 NH1 ARG A 89 -10.790 -1.920 0.822 1.00 3.10 N ATOM 1349 NH2 ARG A 89 -11.074 -4.189 0.754 1.00 41.34 N ATOM 0 H ARG A 89 -5.625 -2.672 5.445 1.00 15.01 H new ATOM 0 HA ARG A 89 -6.155 -1.336 2.869 1.00 24.32 H new ATOM 0 HB2 ARG A 89 -7.435 -1.113 5.615 1.00 35.33 H new ATOM 0 HB3 ARG A 89 -7.876 -0.132 4.231 1.00 35.33 H new ATOM 0 HG2 ARG A 89 -8.093 -3.160 4.390 1.00 41.14 H new ATOM 0 HG3 ARG A 89 -9.424 -2.030 4.545 1.00 41.14 H new ATOM 0 HD2 ARG A 89 -9.070 -1.220 2.261 1.00 0.11 H new ATOM 0 HD3 ARG A 89 -7.628 -2.201 2.097 1.00 0.11 H new ATOM 0 HE ARG A 89 -9.208 -4.213 2.408 1.00 30.42 H new ATOM 0 HH11 ARG A 89 -10.299 -1.099 1.176 1.00 3.10 H new ATOM 0 HH12 ARG A 89 -11.561 -1.809 0.163 1.00 3.10 H new ATOM 0 HH21 ARG A 89 -10.802 -5.124 1.057 1.00 41.34 H new ATOM 0 HH22 ARG A 89 -11.844 -4.070 0.096 1.00 41.34 H new ATOM 1363 N LEU A 90 -4.676 0.562 3.304 1.00 23.55 N ATOM 1364 CA LEU A 90 -3.796 1.696 3.517 1.00 53.14 C ATOM 1365 C LEU A 90 -4.585 2.996 3.526 1.00 65.24 C ATOM 1366 O LEU A 90 -4.893 3.569 2.477 1.00 34.45 O ATOM 1367 CB LEU A 90 -2.699 1.739 2.451 1.00 52.31 C ATOM 1368 CG LEU A 90 -1.659 0.620 2.551 1.00 5.03 C ATOM 1369 CD1 LEU A 90 -0.659 0.704 1.408 1.00 63.02 C ATOM 1370 CD2 LEU A 90 -0.943 0.679 3.889 1.00 13.51 C ATOM 0 H LEU A 90 -4.836 0.330 2.324 1.00 23.55 H new ATOM 0 HA LEU A 90 -3.321 1.578 4.491 1.00 53.14 H new ATOM 0 HB2 LEU A 90 -3.166 1.694 1.467 1.00 52.31 H new ATOM 0 HB3 LEU A 90 -2.186 2.699 2.517 1.00 52.31 H new ATOM 0 HG LEU A 90 -2.179 -0.335 2.477 1.00 5.03 H new ATOM 0 HD11 LEU A 90 0.069 -0.102 1.502 1.00 63.02 H new ATOM 0 HD12 LEU A 90 -1.184 0.610 0.457 1.00 63.02 H new ATOM 0 HD13 LEU A 90 -0.144 1.664 1.445 1.00 63.02 H new ATOM 0 HD21 LEU A 90 -0.207 -0.123 3.944 1.00 13.51 H new ATOM 0 HD22 LEU A 90 -0.440 1.641 3.990 1.00 13.51 H new ATOM 0 HD23 LEU A 90 -1.668 0.562 4.695 1.00 13.51 H new ATOM 1382 N HIS A 91 -4.933 3.445 4.721 1.00 22.02 N ATOM 1383 CA HIS A 91 -5.634 4.703 4.891 1.00 3.30 C ATOM 1384 C HIS A 91 -4.609 5.824 4.963 1.00 51.11 C ATOM 1385 O HIS A 91 -4.080 6.131 6.029 1.00 22.24 O ATOM 1386 CB HIS A 91 -6.493 4.658 6.160 1.00 52.53 C ATOM 1387 CG HIS A 91 -7.461 5.796 6.310 1.00 44.12 C ATOM 1388 ND1 HIS A 91 -7.828 6.313 7.534 1.00 1.54 N ATOM 1389 CD2 HIS A 91 -8.174 6.484 5.386 1.00 62.22 C ATOM 1390 CE1 HIS A 91 -8.723 7.269 7.354 1.00 2.44 C ATOM 1391 NE2 HIS A 91 -8.954 7.392 6.059 1.00 24.15 N ATOM 0 H HIS A 91 -4.739 2.951 5.592 1.00 22.02 H new ATOM 0 HA HIS A 91 -6.300 4.881 4.046 1.00 3.30 H new ATOM 0 HB2 HIS A 91 -7.051 3.722 6.170 1.00 52.53 H new ATOM 0 HB3 HIS A 91 -5.833 4.645 7.027 1.00 52.53 H new ATOM 0 HD2 HIS A 91 -8.136 6.344 4.316 1.00 62.22 H new ATOM 0 HE1 HIS A 91 -9.188 7.852 8.135 1.00 2.44 H new ATOM 0 HE2 HIS A 91 -9.603 8.052 5.630 1.00 24.15 H new ATOM 1400 N ILE A 92 -4.305 6.397 3.811 1.00 71.10 N ATOM 1401 CA ILE A 92 -3.260 7.398 3.705 1.00 74.24 C ATOM 1402 C ILE A 92 -3.702 8.702 4.352 1.00 65.33 C ATOM 1403 O ILE A 92 -4.538 9.430 3.803 1.00 64.33 O ATOM 1404 CB ILE A 92 -2.882 7.661 2.229 1.00 5.31 C ATOM 1405 CG1 ILE A 92 -2.562 6.345 1.506 1.00 33.41 C ATOM 1406 CG2 ILE A 92 -1.698 8.616 2.144 1.00 21.23 C ATOM 1407 CD1 ILE A 92 -1.435 5.552 2.136 1.00 72.15 C ATOM 0 H ILE A 92 -4.772 6.183 2.930 1.00 71.10 H new ATOM 0 HA ILE A 92 -2.384 7.012 4.227 1.00 74.24 H new ATOM 0 HB ILE A 92 -3.737 8.123 1.735 1.00 5.31 H new ATOM 0 HG12 ILE A 92 -3.459 5.727 1.485 1.00 33.41 H new ATOM 0 HG13 ILE A 92 -2.302 6.565 0.471 1.00 33.41 H new ATOM 0 HG21 ILE A 92 -1.445 8.790 1.098 1.00 21.23 H new ATOM 0 HG22 ILE A 92 -1.960 9.563 2.617 1.00 21.23 H new ATOM 0 HG23 ILE A 92 -0.841 8.179 2.657 1.00 21.23 H new ATOM 0 HD11 ILE A 92 -1.271 4.637 1.567 1.00 72.15 H new ATOM 0 HD12 ILE A 92 -0.523 6.150 2.133 1.00 72.15 H new ATOM 0 HD13 ILE A 92 -1.699 5.298 3.163 1.00 72.15 H new ATOM 1419 N ILE A 93 -3.155 8.982 5.526 1.00 21.00 N ATOM 1420 CA ILE A 93 -3.454 10.217 6.222 1.00 2.54 C ATOM 1421 C ILE A 93 -2.617 11.343 5.637 1.00 10.51 C ATOM 1422 O ILE A 93 -1.588 11.737 6.189 1.00 5.11 O ATOM 1423 CB ILE A 93 -3.197 10.107 7.743 1.00 70.32 C ATOM 1424 CG1 ILE A 93 -3.919 8.884 8.321 1.00 3.15 C ATOM 1425 CG2 ILE A 93 -3.648 11.375 8.456 1.00 54.25 C ATOM 1426 CD1 ILE A 93 -5.423 8.911 8.138 1.00 14.13 C ATOM 0 H ILE A 93 -2.502 8.368 6.014 1.00 21.00 H new ATOM 0 HA ILE A 93 -4.515 10.427 6.086 1.00 2.54 H new ATOM 0 HB ILE A 93 -2.126 9.985 7.902 1.00 70.32 H new ATOM 0 HG12 ILE A 93 -3.522 7.985 7.850 1.00 3.15 H new ATOM 0 HG13 ILE A 93 -3.694 8.812 9.385 1.00 3.15 H new ATOM 0 HG21 ILE A 93 -3.459 11.278 9.525 1.00 54.25 H new ATOM 0 HG22 ILE A 93 -3.094 12.229 8.065 1.00 54.25 H new ATOM 0 HG23 ILE A 93 -4.714 11.527 8.288 1.00 54.25 H new ATOM 0 HD11 ILE A 93 -5.859 8.012 8.574 1.00 14.13 H new ATOM 0 HD12 ILE A 93 -5.834 9.790 8.634 1.00 14.13 H new ATOM 0 HD13 ILE A 93 -5.660 8.950 7.075 1.00 14.13 H new ATOM 1438 N ASP A 94 -3.037 11.797 4.473 1.00 11.43 N ATOM 1439 CA ASP A 94 -2.404 12.916 3.805 1.00 52.45 C ATOM 1440 C ASP A 94 -3.060 14.200 4.277 1.00 12.22 C ATOM 1441 O ASP A 94 -4.133 14.579 3.801 1.00 30.41 O ATOM 1442 CB ASP A 94 -2.532 12.749 2.288 1.00 12.01 C ATOM 1443 CG ASP A 94 -1.969 13.914 1.504 1.00 12.03 C ATOM 1444 OD1 ASP A 94 -0.733 13.997 1.361 1.00 10.11 O ATOM 1445 OD2 ASP A 94 -2.768 14.730 0.994 1.00 1.40 O ATOM 0 H ASP A 94 -3.827 11.400 3.964 1.00 11.43 H new ATOM 0 HA ASP A 94 -1.342 12.955 4.048 1.00 52.45 H new ATOM 0 HB2 ASP A 94 -2.019 11.836 1.986 1.00 12.01 H new ATOM 0 HB3 ASP A 94 -3.584 12.623 2.032 1.00 12.01 H new ATOM 1450 N LEU A 95 -2.437 14.831 5.260 1.00 1.21 N ATOM 1451 CA LEU A 95 -3.029 15.976 5.932 1.00 54.12 C ATOM 1452 C LEU A 95 -2.457 17.283 5.392 1.00 24.34 C ATOM 1453 O LEU A 95 -3.080 18.336 5.510 1.00 73.44 O ATOM 1454 CB LEU A 95 -2.767 15.871 7.442 1.00 54.05 C ATOM 1455 CG LEU A 95 -3.945 16.217 8.361 1.00 71.03 C ATOM 1456 CD1 LEU A 95 -4.331 17.681 8.246 1.00 62.12 C ATOM 1457 CD2 LEU A 95 -5.136 15.327 8.049 1.00 73.40 C ATOM 0 H LEU A 95 -1.516 14.567 5.611 1.00 1.21 H new ATOM 0 HA LEU A 95 -4.103 15.975 5.744 1.00 54.12 H new ATOM 0 HB2 LEU A 95 -2.447 14.853 7.664 1.00 54.05 H new ATOM 0 HB3 LEU A 95 -1.934 16.528 7.691 1.00 54.05 H new ATOM 0 HG LEU A 95 -3.630 16.039 9.389 1.00 71.03 H new ATOM 0 HD11 LEU A 95 -5.169 17.890 8.911 1.00 62.12 H new ATOM 0 HD12 LEU A 95 -3.482 18.304 8.526 1.00 62.12 H new ATOM 0 HD13 LEU A 95 -4.620 17.901 7.218 1.00 62.12 H new ATOM 0 HD21 LEU A 95 -5.965 15.584 8.709 1.00 73.40 H new ATOM 0 HD22 LEU A 95 -5.439 15.474 7.012 1.00 73.40 H new ATOM 0 HD23 LEU A 95 -4.860 14.284 8.202 1.00 73.40 H new ATOM 1469 N ASP A 96 -1.278 17.199 4.781 1.00 50.31 N ATOM 1470 CA ASP A 96 -0.541 18.388 4.356 1.00 24.42 C ATOM 1471 C ASP A 96 -1.300 19.152 3.276 1.00 61.03 C ATOM 1472 O ASP A 96 -1.482 18.658 2.162 1.00 72.41 O ATOM 1473 CB ASP A 96 0.842 18.001 3.832 1.00 24.11 C ATOM 1474 CG ASP A 96 1.807 19.169 3.834 1.00 13.11 C ATOM 1475 OD1 ASP A 96 2.443 19.414 4.881 1.00 54.44 O ATOM 1476 OD2 ASP A 96 1.948 19.845 2.797 1.00 45.14 O ATOM 0 H ASP A 96 -0.811 16.318 4.568 1.00 50.31 H new ATOM 0 HA ASP A 96 -0.430 19.035 5.226 1.00 24.42 H new ATOM 0 HB2 ASP A 96 1.248 17.197 4.445 1.00 24.11 H new ATOM 0 HB3 ASP A 96 0.748 17.612 2.818 1.00 24.11 H new ATOM 1481 N PRO A 97 -1.782 20.355 3.605 1.00 65.34 N ATOM 1482 CA PRO A 97 -2.486 21.210 2.662 1.00 41.13 C ATOM 1483 C PRO A 97 -1.509 21.956 1.764 1.00 45.02 C ATOM 1484 O PRO A 97 -0.870 22.914 2.246 1.00 36.67 O ATOM 1485 CB PRO A 97 -3.265 22.191 3.556 1.00 3.51 C ATOM 1486 CG PRO A 97 -2.931 21.826 4.971 1.00 30.24 C ATOM 1487 CD PRO A 97 -1.686 20.987 4.920 1.00 33.33 C ATOM 1488 OXT PRO A 97 -1.387 21.592 0.576 1.00 36.67 O ATOM 0 HA PRO A 97 -3.135 20.645 1.993 1.00 41.13 H new ATOM 0 HB2 PRO A 97 -2.981 23.221 3.343 1.00 3.51 H new ATOM 0 HB3 PRO A 97 -4.337 22.113 3.377 1.00 3.51 H new ATOM 0 HG2 PRO A 97 -2.770 22.720 5.573 1.00 30.24 H new ATOM 0 HG3 PRO A 97 -3.750 21.274 5.432 1.00 30.24 H new ATOM 0 HD2 PRO A 97 -0.785 21.593 5.014 1.00 33.33 H new ATOM 0 HD3 PRO A 97 -1.660 20.250 5.723 1.00 33.33 H new TER 1496 PRO A 97