USER MOD reduce.3.24.130724 H: found=0, std=0, add=481, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 481 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 11 ASN : amide:sc= -2.01 K(o=-3,f=-4.7!) USER MOD Set 1.2: A 52 LYS NZ :NH3+ -127:sc= -0.975 (180deg=-2.18!) USER MOD Set 2.1: A 51 ASN : amide:sc= -2.22! C(o=-5.1!,f=-2.1!) USER MOD Set 2.2: A 55 GLN : amide:sc= -2.88! K(o=-5.1!,f=-2) USER MOD Single : A 6 SER OG : rot 47:sc= 1.03 USER MOD Single : A 7 LYS NZ :NH3+ 139:sc= 0.853 (180deg=0.00474) USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= -0.101 X(o=-0.1,f=-0.098) USER MOD Single : A 20 ASN : amide:sc= -0.114 K(o=-0.11,f=-0.97) USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 CYS SG : rot -30:sc= -0.022 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -1.55! C(o=-1.6!,f=-2.9!) USER MOD Single : A 35 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= -5.57! C(o=-5.6!,f=-10!) USER MOD Single : A 38 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 167:sc= 0.777 (180deg=0.691) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -1.84 K(o=-1.8,f=-1.3) USER MOD Single : A 42 ASN : amide:sc= 0 K(o=0,f=-0.95) USER MOD Single : A 44 LYS NZ :NH3+ 143:sc= -0.0905 (180deg=-0.856) USER MOD Single : A 47 MET CE :methyl 180:sc= -0.0494 (180deg=-0.0494) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 -14.776 -3.908 1.183 1.00 0.00 N ATOM 2 CA PRO A 1 -13.435 -3.923 1.826 1.00 0.00 C ATOM 3 C PRO A 1 -13.451 -3.002 3.052 1.00 0.00 C ATOM 4 O PRO A 1 -12.426 -2.545 3.513 1.00 0.00 O ATOM 5 CB PRO A 1 -12.403 -3.432 0.789 1.00 0.00 C ATOM 6 CG PRO A 1 -13.215 -2.652 -0.211 1.00 0.00 C ATOM 7 CD PRO A 1 -14.642 -3.218 -0.124 1.00 0.00 C ATOM 0 H2 PRO A 1 -15.451 -3.425 1.775 1.00 0.00 H new ATOM 0 H3 PRO A 1 -15.121 -4.859 1.052 1.00 0.00 H new ATOM 0 HA PRO A 1 -13.172 -4.928 2.156 1.00 0.00 H new ATOM 0 HB2 PRO A 1 -11.640 -2.808 1.254 1.00 0.00 H new ATOM 0 HB3 PRO A 1 -11.887 -4.268 0.316 1.00 0.00 H new ATOM 0 HG2 PRO A 1 -13.202 -1.587 0.020 1.00 0.00 H new ATOM 0 HG3 PRO A 1 -12.810 -2.765 -1.217 1.00 0.00 H new ATOM 0 HD2 PRO A 1 -15.377 -2.417 -0.211 1.00 0.00 H new ATOM 0 HD3 PRO A 1 -14.829 -3.912 -0.944 1.00 0.00 H new ATOM 17 N GLU A 2 -14.606 -2.730 3.587 1.00 0.00 N ATOM 18 CA GLU A 2 -14.680 -1.847 4.784 1.00 0.00 C ATOM 19 C GLU A 2 -13.860 -2.466 5.919 1.00 0.00 C ATOM 20 O GLU A 2 -13.400 -1.784 6.811 1.00 0.00 O ATOM 21 CB GLU A 2 -16.138 -1.705 5.225 1.00 0.00 C ATOM 22 CG GLU A 2 -16.956 -1.080 4.093 1.00 0.00 C ATOM 23 CD GLU A 2 -18.395 -0.862 4.562 1.00 0.00 C ATOM 24 OE1 GLU A 2 -18.849 -1.630 5.394 1.00 0.00 O ATOM 25 OE2 GLU A 2 -19.019 0.070 4.082 1.00 0.00 O ATOM 0 H GLU A 2 -15.502 -3.080 3.248 1.00 0.00 H new ATOM 0 HA GLU A 2 -14.280 -0.863 4.538 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -16.546 -2.681 5.487 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -16.200 -1.084 6.118 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -16.513 -0.131 3.791 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -16.942 -1.730 3.218 1.00 0.00 H new ATOM 32 N GLU A 3 -13.691 -3.760 5.897 1.00 0.00 N ATOM 33 CA GLU A 3 -12.919 -4.438 6.979 1.00 0.00 C ATOM 34 C GLU A 3 -11.443 -4.044 6.912 1.00 0.00 C ATOM 35 O GLU A 3 -10.897 -3.510 7.855 1.00 0.00 O ATOM 36 CB GLU A 3 -13.059 -5.955 6.819 1.00 0.00 C ATOM 37 CG GLU A 3 -14.520 -6.290 6.521 1.00 0.00 C ATOM 38 CD GLU A 3 -14.727 -7.805 6.584 1.00 0.00 C ATOM 39 OE1 GLU A 3 -14.420 -8.466 5.606 1.00 0.00 O ATOM 40 OE2 GLU A 3 -15.190 -8.277 7.609 1.00 0.00 O ATOM 0 H GLU A 3 -14.056 -4.380 5.174 1.00 0.00 H new ATOM 0 HA GLU A 3 -13.314 -4.130 7.947 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -12.419 -6.309 6.011 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -12.734 -6.461 7.728 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -15.171 -5.794 7.242 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -14.794 -5.917 5.534 1.00 0.00 H new ATOM 47 N VAL A 4 -10.785 -4.301 5.814 1.00 0.00 N ATOM 48 CA VAL A 4 -9.348 -3.925 5.730 1.00 0.00 C ATOM 49 C VAL A 4 -9.241 -2.402 5.797 1.00 0.00 C ATOM 50 O VAL A 4 -8.475 -1.864 6.562 1.00 0.00 O ATOM 51 CB VAL A 4 -8.731 -4.461 4.429 1.00 0.00 C ATOM 52 CG1 VAL A 4 -9.364 -3.783 3.207 1.00 0.00 C ATOM 53 CG2 VAL A 4 -7.222 -4.195 4.438 1.00 0.00 C ATOM 0 H VAL A 4 -11.174 -4.748 4.984 1.00 0.00 H new ATOM 0 HA VAL A 4 -8.797 -4.365 6.561 1.00 0.00 H new ATOM 0 HB VAL A 4 -8.921 -5.533 4.367 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -8.912 -4.178 2.297 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -10.436 -3.981 3.195 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -9.195 -2.708 3.259 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -6.780 -4.574 3.516 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -7.042 -3.123 4.513 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -6.769 -4.699 5.292 1.00 0.00 H new ATOM 63 N ILE A 5 -10.017 -1.701 5.017 1.00 0.00 N ATOM 64 CA ILE A 5 -9.961 -0.213 5.051 1.00 0.00 C ATOM 65 C ILE A 5 -10.125 0.282 6.492 1.00 0.00 C ATOM 66 O ILE A 5 -9.593 1.310 6.863 1.00 0.00 O ATOM 67 CB ILE A 5 -11.085 0.361 4.182 1.00 0.00 C ATOM 68 CG1 ILE A 5 -10.853 -0.058 2.722 1.00 0.00 C ATOM 69 CG2 ILE A 5 -11.086 1.895 4.292 1.00 0.00 C ATOM 70 CD1 ILE A 5 -12.081 0.287 1.871 1.00 0.00 C ATOM 0 H ILE A 5 -10.688 -2.095 4.357 1.00 0.00 H new ATOM 0 HA ILE A 5 -8.996 0.118 4.666 1.00 0.00 H new ATOM 0 HB ILE A 5 -12.048 -0.021 4.521 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -9.973 0.449 2.326 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -10.655 -1.129 2.670 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -11.885 2.304 3.674 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -11.246 2.185 5.330 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -10.127 2.285 3.950 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -11.905 -0.015 0.839 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -12.952 -0.240 2.259 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -12.260 1.361 1.909 1.00 0.00 H new ATOM 82 N SER A 6 -10.855 -0.430 7.309 1.00 0.00 N ATOM 83 CA SER A 6 -11.036 0.030 8.717 1.00 0.00 C ATOM 84 C SER A 6 -9.697 -0.040 9.460 1.00 0.00 C ATOM 85 O SER A 6 -9.396 0.794 10.292 1.00 0.00 O ATOM 86 CB SER A 6 -12.068 -0.850 9.429 1.00 0.00 C ATOM 87 OG SER A 6 -13.357 -0.588 8.893 1.00 0.00 O ATOM 0 H SER A 6 -11.329 -1.300 7.067 1.00 0.00 H new ATOM 0 HA SER A 6 -11.392 1.060 8.710 1.00 0.00 H new ATOM 0 HB2 SER A 6 -11.815 -1.903 9.301 1.00 0.00 H new ATOM 0 HB3 SER A 6 -12.059 -0.648 10.500 1.00 0.00 H new ATOM 0 HG SER A 6 -13.310 -0.588 7.914 1.00 0.00 H new ATOM 93 N LYS A 7 -8.897 -1.036 9.183 1.00 0.00 N ATOM 94 CA LYS A 7 -7.587 -1.164 9.896 1.00 0.00 C ATOM 95 C LYS A 7 -6.600 -0.094 9.397 1.00 0.00 C ATOM 96 O LYS A 7 -5.745 0.358 10.131 1.00 0.00 O ATOM 97 CB LYS A 7 -7.030 -2.602 9.705 1.00 0.00 C ATOM 98 CG LYS A 7 -6.164 -2.744 8.420 1.00 0.00 C ATOM 99 CD LYS A 7 -4.667 -2.518 8.739 1.00 0.00 C ATOM 100 CE LYS A 7 -4.023 -3.825 9.223 1.00 0.00 C ATOM 101 NZ LYS A 7 -2.592 -3.578 9.557 1.00 0.00 N ATOM 0 H LYS A 7 -9.091 -1.765 8.497 1.00 0.00 H new ATOM 0 HA LYS A 7 -7.731 -0.997 10.963 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -6.431 -2.874 10.574 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -7.861 -3.306 9.658 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -6.303 -3.736 7.990 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -6.494 -2.023 7.672 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -4.149 -2.157 7.851 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -4.563 -1.748 9.504 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -4.552 -4.202 10.098 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -4.101 -4.590 8.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -2.346 -4.089 10.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -1.991 -3.913 8.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -2.439 -2.559 9.698 1.00 0.00 H new ATOM 115 N ILE A 8 -6.710 0.314 8.160 1.00 0.00 N ATOM 116 CA ILE A 8 -5.774 1.353 7.630 1.00 0.00 C ATOM 117 C ILE A 8 -5.901 2.623 8.479 1.00 0.00 C ATOM 118 O ILE A 8 -4.960 3.377 8.634 1.00 0.00 O ATOM 119 CB ILE A 8 -6.125 1.692 6.167 1.00 0.00 C ATOM 120 CG1 ILE A 8 -6.343 0.410 5.334 1.00 0.00 C ATOM 121 CG2 ILE A 8 -5.008 2.535 5.547 1.00 0.00 C ATOM 122 CD1 ILE A 8 -5.044 -0.380 5.143 1.00 0.00 C ATOM 0 H ILE A 8 -7.405 -0.025 7.495 1.00 0.00 H new ATOM 0 HA ILE A 8 -4.755 0.968 7.674 1.00 0.00 H new ATOM 0 HB ILE A 8 -7.055 2.261 6.162 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -7.082 -0.221 5.828 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -6.752 0.676 4.359 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -5.261 2.771 4.514 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -4.893 3.459 6.113 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -4.073 1.975 5.572 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -5.245 -1.273 4.552 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -4.313 0.241 4.625 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -4.648 -0.671 6.116 1.00 0.00 H new ATOM 134 N MET A 9 -7.061 2.865 9.022 1.00 0.00 N ATOM 135 CA MET A 9 -7.264 4.086 9.854 1.00 0.00 C ATOM 136 C MET A 9 -6.262 4.093 11.009 1.00 0.00 C ATOM 137 O MET A 9 -6.163 5.050 11.752 1.00 0.00 O ATOM 138 CB MET A 9 -8.690 4.084 10.413 1.00 0.00 C ATOM 139 CG MET A 9 -9.696 4.244 9.268 1.00 0.00 C ATOM 140 SD MET A 9 -9.612 5.932 8.620 1.00 0.00 S ATOM 141 CE MET A 9 -10.682 5.676 7.183 1.00 0.00 C ATOM 0 H MET A 9 -7.882 2.267 8.925 1.00 0.00 H new ATOM 0 HA MET A 9 -7.112 4.974 9.241 1.00 0.00 H new ATOM 0 HB2 MET A 9 -8.879 3.154 10.948 1.00 0.00 H new ATOM 0 HB3 MET A 9 -8.810 4.895 11.131 1.00 0.00 H new ATOM 0 HG2 MET A 9 -9.478 3.528 8.476 1.00 0.00 H new ATOM 0 HG3 MET A 9 -10.704 4.029 9.623 1.00 0.00 H new ATOM 0 HE1 MET A 9 -10.773 6.609 6.626 1.00 0.00 H new ATOM 0 HE2 MET A 9 -10.250 4.910 6.540 1.00 0.00 H new ATOM 0 HE3 MET A 9 -11.669 5.355 7.517 1.00 0.00 H new ATOM 151 N GLU A 10 -5.524 3.032 11.170 1.00 0.00 N ATOM 152 CA GLU A 10 -4.533 2.972 12.280 1.00 0.00 C ATOM 153 C GLU A 10 -3.397 3.963 12.015 1.00 0.00 C ATOM 154 O GLU A 10 -2.654 4.323 12.907 1.00 0.00 O ATOM 155 CB GLU A 10 -3.969 1.549 12.368 1.00 0.00 C ATOM 156 CG GLU A 10 -3.113 1.238 11.129 1.00 0.00 C ATOM 157 CD GLU A 10 -2.808 -0.261 11.082 1.00 0.00 C ATOM 158 OE1 GLU A 10 -2.893 -0.897 12.120 1.00 0.00 O ATOM 159 OE2 GLU A 10 -2.494 -0.747 10.010 1.00 0.00 O ATOM 0 H GLU A 10 -5.564 2.201 10.580 1.00 0.00 H new ATOM 0 HA GLU A 10 -5.018 3.234 13.220 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -3.367 1.444 13.270 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -4.785 0.831 12.444 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -3.640 1.541 10.224 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -2.184 1.808 11.163 1.00 0.00 H new ATOM 166 N ASN A 11 -3.251 4.392 10.789 1.00 0.00 N ATOM 167 CA ASN A 11 -2.157 5.348 10.440 1.00 0.00 C ATOM 168 C ASN A 11 -2.659 6.319 9.362 1.00 0.00 C ATOM 169 O ASN A 11 -2.541 6.042 8.185 1.00 0.00 O ATOM 170 CB ASN A 11 -0.968 4.556 9.885 1.00 0.00 C ATOM 171 CG ASN A 11 -0.341 3.721 11.003 1.00 0.00 C ATOM 172 OD1 ASN A 11 -0.293 4.145 12.141 1.00 0.00 O ATOM 173 ND2 ASN A 11 0.145 2.542 10.725 1.00 0.00 N ATOM 0 H ASN A 11 -3.847 4.119 10.008 1.00 0.00 H new ATOM 0 HA ASN A 11 -1.855 5.907 11.326 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -1.297 3.907 9.074 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -0.227 5.238 9.467 1.00 0.00 H new ATOM 0 HD21 ASN A 11 0.565 1.977 11.463 1.00 0.00 H new ATOM 0 HD22 ASN A 11 0.105 2.186 9.770 1.00 0.00 H new ATOM 180 N PRO A 12 -3.213 7.449 9.744 1.00 0.00 N ATOM 181 CA PRO A 12 -3.724 8.451 8.762 1.00 0.00 C ATOM 182 C PRO A 12 -2.717 8.696 7.631 1.00 0.00 C ATOM 183 O PRO A 12 -3.035 9.273 6.611 1.00 0.00 O ATOM 184 CB PRO A 12 -3.928 9.710 9.615 1.00 0.00 C ATOM 185 CG PRO A 12 -4.257 9.181 10.974 1.00 0.00 C ATOM 186 CD PRO A 12 -3.419 7.905 11.135 1.00 0.00 C ATOM 0 HA PRO A 12 -4.635 8.126 8.261 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -3.030 10.328 9.634 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -4.734 10.331 9.223 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -4.014 9.910 11.747 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -5.322 8.965 11.063 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -2.472 8.107 11.635 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -3.940 7.155 11.730 1.00 0.00 H new ATOM 194 N ASP A 13 -1.507 8.245 7.809 1.00 0.00 N ATOM 195 CA ASP A 13 -0.471 8.428 6.756 1.00 0.00 C ATOM 196 C ASP A 13 -0.796 7.511 5.577 1.00 0.00 C ATOM 197 O ASP A 13 -0.685 7.893 4.429 1.00 0.00 O ATOM 198 CB ASP A 13 0.902 8.062 7.325 1.00 0.00 C ATOM 199 CG ASP A 13 1.985 8.382 6.293 1.00 0.00 C ATOM 200 OD1 ASP A 13 2.159 7.590 5.381 1.00 0.00 O ATOM 201 OD2 ASP A 13 2.622 9.413 6.432 1.00 0.00 O ATOM 0 H ASP A 13 -1.190 7.754 8.645 1.00 0.00 H new ATOM 0 HA ASP A 13 -0.458 9.466 6.424 1.00 0.00 H new ATOM 0 HB2 ASP A 13 1.086 8.617 8.245 1.00 0.00 H new ATOM 0 HB3 ASP A 13 0.931 7.003 7.581 1.00 0.00 H new ATOM 206 N VAL A 14 -1.210 6.303 5.856 1.00 0.00 N ATOM 207 CA VAL A 14 -1.558 5.356 4.759 1.00 0.00 C ATOM 208 C VAL A 14 -2.925 5.736 4.209 1.00 0.00 C ATOM 209 O VAL A 14 -3.167 5.682 3.021 1.00 0.00 O ATOM 210 CB VAL A 14 -1.600 3.934 5.324 1.00 0.00 C ATOM 211 CG1 VAL A 14 -1.961 2.948 4.215 1.00 0.00 C ATOM 212 CG2 VAL A 14 -0.229 3.574 5.903 1.00 0.00 C ATOM 0 H VAL A 14 -1.322 5.932 6.799 1.00 0.00 H new ATOM 0 HA VAL A 14 -0.816 5.403 3.962 1.00 0.00 H new ATOM 0 HB VAL A 14 -2.353 3.881 6.110 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -1.990 1.937 4.622 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -2.939 3.202 3.806 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -1.212 3.000 3.424 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -0.258 2.561 6.305 1.00 0.00 H new ATOM 0 HG22 VAL A 14 0.524 3.630 5.117 1.00 0.00 H new ATOM 0 HG23 VAL A 14 0.025 4.274 6.699 1.00 0.00 H new ATOM 222 N ALA A 15 -3.816 6.129 5.067 1.00 0.00 N ATOM 223 CA ALA A 15 -5.167 6.528 4.604 1.00 0.00 C ATOM 224 C ALA A 15 -5.030 7.700 3.631 1.00 0.00 C ATOM 225 O ALA A 15 -5.740 7.797 2.651 1.00 0.00 O ATOM 226 CB ALA A 15 -5.993 6.950 5.812 1.00 0.00 C ATOM 0 H ALA A 15 -3.666 6.191 6.074 1.00 0.00 H new ATOM 0 HA ALA A 15 -5.659 5.696 4.100 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -6.990 7.246 5.486 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -6.072 6.115 6.508 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -5.509 7.791 6.308 1.00 0.00 H new ATOM 232 N MET A 16 -4.105 8.584 3.893 1.00 0.00 N ATOM 233 CA MET A 16 -3.895 9.745 2.986 1.00 0.00 C ATOM 234 C MET A 16 -3.174 9.244 1.738 1.00 0.00 C ATOM 235 O MET A 16 -3.406 9.708 0.640 1.00 0.00 O ATOM 236 CB MET A 16 -3.033 10.798 3.702 1.00 0.00 C ATOM 237 CG MET A 16 -3.920 11.742 4.528 1.00 0.00 C ATOM 238 SD MET A 16 -5.074 10.779 5.539 1.00 0.00 S ATOM 239 CE MET A 16 -5.893 12.179 6.343 1.00 0.00 C ATOM 0 H MET A 16 -3.483 8.550 4.701 1.00 0.00 H new ATOM 0 HA MET A 16 -4.848 10.198 2.711 1.00 0.00 H new ATOM 0 HB2 MET A 16 -2.311 10.305 4.352 1.00 0.00 H new ATOM 0 HB3 MET A 16 -2.464 11.371 2.970 1.00 0.00 H new ATOM 0 HG2 MET A 16 -3.300 12.370 5.167 1.00 0.00 H new ATOM 0 HG3 MET A 16 -4.472 12.408 3.865 1.00 0.00 H new ATOM 0 HE1 MET A 16 -6.659 11.810 7.025 1.00 0.00 H new ATOM 0 HE2 MET A 16 -5.158 12.758 6.902 1.00 0.00 H new ATOM 0 HE3 MET A 16 -6.356 12.813 5.587 1.00 0.00 H new ATOM 249 N ALA A 17 -2.311 8.282 1.902 1.00 0.00 N ATOM 250 CA ALA A 17 -1.585 7.729 0.732 1.00 0.00 C ATOM 251 C ALA A 17 -2.588 6.950 -0.105 1.00 0.00 C ATOM 252 O ALA A 17 -2.538 6.937 -1.314 1.00 0.00 O ATOM 253 CB ALA A 17 -0.477 6.797 1.217 1.00 0.00 C ATOM 0 H ALA A 17 -2.078 7.855 2.799 1.00 0.00 H new ATOM 0 HA ALA A 17 -1.135 8.527 0.141 1.00 0.00 H new ATOM 0 HB1 ALA A 17 0.057 6.390 0.359 1.00 0.00 H new ATOM 0 HB2 ALA A 17 0.217 7.354 1.846 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -0.914 5.981 1.793 1.00 0.00 H new ATOM 259 N PHE A 18 -3.516 6.313 0.543 1.00 0.00 N ATOM 260 CA PHE A 18 -4.552 5.543 -0.195 1.00 0.00 C ATOM 261 C PHE A 18 -5.274 6.491 -1.167 1.00 0.00 C ATOM 262 O PHE A 18 -5.894 6.064 -2.121 1.00 0.00 O ATOM 263 CB PHE A 18 -5.553 4.976 0.831 1.00 0.00 C ATOM 264 CG PHE A 18 -5.209 3.544 1.212 1.00 0.00 C ATOM 265 CD1 PHE A 18 -3.871 3.146 1.359 1.00 0.00 C ATOM 266 CD2 PHE A 18 -6.238 2.615 1.431 1.00 0.00 C ATOM 267 CE1 PHE A 18 -3.568 1.827 1.719 1.00 0.00 C ATOM 268 CE2 PHE A 18 -5.932 1.299 1.791 1.00 0.00 C ATOM 269 CZ PHE A 18 -4.598 0.904 1.935 1.00 0.00 C ATOM 0 H PHE A 18 -3.604 6.291 1.559 1.00 0.00 H new ATOM 0 HA PHE A 18 -4.102 4.726 -0.760 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -5.554 5.601 1.724 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -6.560 5.011 0.416 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -3.075 3.857 1.194 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -7.269 2.917 1.321 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -2.538 1.521 1.830 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -6.727 0.587 1.958 1.00 0.00 H new ATOM 0 HZ PHE A 18 -4.363 -0.113 2.213 1.00 0.00 H new ATOM 279 N GLN A 19 -5.205 7.776 -0.922 1.00 0.00 N ATOM 280 CA GLN A 19 -5.892 8.756 -1.819 1.00 0.00 C ATOM 281 C GLN A 19 -5.001 9.085 -3.020 1.00 0.00 C ATOM 282 O GLN A 19 -5.218 10.063 -3.708 1.00 0.00 O ATOM 283 CB GLN A 19 -6.182 10.043 -1.041 1.00 0.00 C ATOM 284 CG GLN A 19 -7.082 9.730 0.159 1.00 0.00 C ATOM 285 CD GLN A 19 -8.477 9.332 -0.332 1.00 0.00 C ATOM 286 OE1 GLN A 19 -9.269 10.177 -0.697 1.00 0.00 O ATOM 287 NE2 GLN A 19 -8.811 8.070 -0.355 1.00 0.00 N ATOM 0 H GLN A 19 -4.701 8.190 -0.137 1.00 0.00 H new ATOM 0 HA GLN A 19 -6.825 8.318 -2.173 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -5.249 10.492 -0.701 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -6.667 10.771 -1.691 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -6.649 8.922 0.749 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -7.150 10.600 0.812 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -8.145 7.361 -0.048 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -9.738 7.794 -0.680 1.00 0.00 H new ATOM 296 N ASN A 20 -4.012 8.266 -3.290 1.00 0.00 N ATOM 297 CA ASN A 20 -3.110 8.509 -4.460 1.00 0.00 C ATOM 298 C ASN A 20 -3.486 7.488 -5.543 1.00 0.00 C ATOM 299 O ASN A 20 -3.840 6.368 -5.231 1.00 0.00 O ATOM 300 CB ASN A 20 -1.647 8.310 -4.021 1.00 0.00 C ATOM 301 CG ASN A 20 -1.121 9.591 -3.364 1.00 0.00 C ATOM 302 OD1 ASN A 20 -1.364 10.679 -3.846 1.00 0.00 O ATOM 303 ND2 ASN A 20 -0.406 9.504 -2.275 1.00 0.00 N ATOM 0 H ASN A 20 -3.790 7.433 -2.745 1.00 0.00 H new ATOM 0 HA ASN A 20 -3.219 9.524 -4.843 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -1.578 7.477 -3.321 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -1.031 8.054 -4.883 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -0.051 10.350 -1.829 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -0.202 8.590 -1.870 1.00 0.00 H new ATOM 310 N PRO A 21 -3.444 7.855 -6.801 1.00 0.00 N ATOM 311 CA PRO A 21 -3.827 6.922 -7.899 1.00 0.00 C ATOM 312 C PRO A 21 -2.818 5.781 -8.083 1.00 0.00 C ATOM 313 O PRO A 21 -3.188 4.630 -8.209 1.00 0.00 O ATOM 314 CB PRO A 21 -3.879 7.827 -9.142 1.00 0.00 C ATOM 315 CG PRO A 21 -2.922 8.936 -8.836 1.00 0.00 C ATOM 316 CD PRO A 21 -3.031 9.172 -7.325 1.00 0.00 C ATOM 0 HA PRO A 21 -4.771 6.418 -7.694 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -3.585 7.285 -10.041 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -4.886 8.207 -9.315 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -1.905 8.664 -9.118 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -3.177 9.838 -9.393 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -2.081 9.494 -6.899 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -3.763 9.945 -7.091 1.00 0.00 H new ATOM 324 N ARG A 22 -1.550 6.086 -8.100 1.00 0.00 N ATOM 325 CA ARG A 22 -0.533 5.011 -8.275 1.00 0.00 C ATOM 326 C ARG A 22 -0.614 4.049 -7.089 1.00 0.00 C ATOM 327 O ARG A 22 -0.292 2.883 -7.196 1.00 0.00 O ATOM 328 CB ARG A 22 0.863 5.635 -8.344 1.00 0.00 C ATOM 329 CG ARG A 22 0.870 6.755 -9.389 1.00 0.00 C ATOM 330 CD ARG A 22 2.298 7.271 -9.584 1.00 0.00 C ATOM 331 NE ARG A 22 2.271 8.492 -10.440 1.00 0.00 N ATOM 332 CZ ARG A 22 3.359 9.193 -10.618 1.00 0.00 C ATOM 333 NH1 ARG A 22 4.476 8.829 -10.047 1.00 0.00 N ATOM 334 NH2 ARG A 22 3.330 10.261 -11.368 1.00 0.00 N ATOM 0 H ARG A 22 -1.175 7.029 -8.001 1.00 0.00 H new ATOM 0 HA ARG A 22 -0.725 4.466 -9.199 1.00 0.00 H new ATOM 0 HB2 ARG A 22 1.145 6.031 -7.368 1.00 0.00 H new ATOM 0 HB3 ARG A 22 1.600 4.875 -8.604 1.00 0.00 H new ATOM 0 HG2 ARG A 22 0.475 6.385 -10.335 1.00 0.00 H new ATOM 0 HG3 ARG A 22 0.220 7.569 -9.068 1.00 0.00 H new ATOM 0 HD2 ARG A 22 2.749 7.500 -8.618 1.00 0.00 H new ATOM 0 HD3 ARG A 22 2.914 6.501 -10.049 1.00 0.00 H new ATOM 0 HE ARG A 22 1.401 8.780 -10.888 1.00 0.00 H new ATOM 0 HH11 ARG A 22 4.501 7.995 -9.460 1.00 0.00 H new ATOM 0 HH12 ARG A 22 5.324 9.379 -10.188 1.00 0.00 H new ATOM 0 HH21 ARG A 22 2.459 10.547 -11.814 1.00 0.00 H new ATOM 0 HH22 ARG A 22 4.179 10.809 -11.508 1.00 0.00 H new ATOM 348 N VAL A 23 -1.050 4.534 -5.959 1.00 0.00 N ATOM 349 CA VAL A 23 -1.167 3.661 -4.755 1.00 0.00 C ATOM 350 C VAL A 23 -2.383 2.749 -4.914 1.00 0.00 C ATOM 351 O VAL A 23 -2.281 1.543 -4.807 1.00 0.00 O ATOM 352 CB VAL A 23 -1.318 4.544 -3.512 1.00 0.00 C ATOM 353 CG1 VAL A 23 -1.541 3.677 -2.265 1.00 0.00 C ATOM 354 CG2 VAL A 23 -0.040 5.372 -3.341 1.00 0.00 C ATOM 0 H VAL A 23 -1.332 5.504 -5.816 1.00 0.00 H new ATOM 0 HA VAL A 23 -0.275 3.044 -4.646 1.00 0.00 H new ATOM 0 HB VAL A 23 -2.179 5.201 -3.635 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -1.646 4.318 -1.390 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -2.447 3.084 -2.391 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -0.688 3.012 -2.127 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -0.133 6.006 -2.459 1.00 0.00 H new ATOM 0 HG22 VAL A 23 0.813 4.704 -3.220 1.00 0.00 H new ATOM 0 HG23 VAL A 23 0.110 5.996 -4.222 1.00 0.00 H new ATOM 364 N GLN A 24 -3.533 3.308 -5.189 1.00 0.00 N ATOM 365 CA GLN A 24 -4.742 2.456 -5.375 1.00 0.00 C ATOM 366 C GLN A 24 -4.430 1.417 -6.451 1.00 0.00 C ATOM 367 O GLN A 24 -4.872 0.286 -6.395 1.00 0.00 O ATOM 368 CB GLN A 24 -5.921 3.323 -5.820 1.00 0.00 C ATOM 369 CG GLN A 24 -6.332 4.254 -4.678 1.00 0.00 C ATOM 370 CD GLN A 24 -7.418 5.215 -5.167 1.00 0.00 C ATOM 371 OE1 GLN A 24 -7.152 6.104 -5.950 1.00 0.00 O ATOM 372 NE2 GLN A 24 -8.642 5.071 -4.735 1.00 0.00 N ATOM 0 H GLN A 24 -3.686 4.311 -5.292 1.00 0.00 H new ATOM 0 HA GLN A 24 -5.005 1.963 -4.439 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -5.645 3.907 -6.698 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -6.761 2.692 -6.109 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -6.701 3.671 -3.834 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -5.468 4.816 -4.324 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -8.866 4.324 -4.077 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -9.374 5.705 -5.055 1.00 0.00 H new ATOM 381 N ALA A 25 -3.647 1.800 -7.422 1.00 0.00 N ATOM 382 CA ALA A 25 -3.266 0.856 -8.505 1.00 0.00 C ATOM 383 C ALA A 25 -2.227 -0.124 -7.961 1.00 0.00 C ATOM 384 O ALA A 25 -2.180 -1.273 -8.346 1.00 0.00 O ATOM 385 CB ALA A 25 -2.663 1.646 -9.667 1.00 0.00 C ATOM 0 H ALA A 25 -3.252 2.736 -7.510 1.00 0.00 H new ATOM 0 HA ALA A 25 -4.142 0.309 -8.853 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -2.381 0.960 -10.466 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -3.398 2.358 -10.043 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -1.780 2.184 -9.322 1.00 0.00 H new ATOM 391 N ALA A 26 -1.397 0.327 -7.061 1.00 0.00 N ATOM 392 CA ALA A 26 -0.363 -0.572 -6.481 1.00 0.00 C ATOM 393 C ALA A 26 -1.051 -1.639 -5.625 1.00 0.00 C ATOM 394 O ALA A 26 -0.757 -2.814 -5.723 1.00 0.00 O ATOM 395 CB ALA A 26 0.589 0.247 -5.609 1.00 0.00 C ATOM 0 H ALA A 26 -1.391 1.282 -6.702 1.00 0.00 H new ATOM 0 HA ALA A 26 0.201 -1.051 -7.281 1.00 0.00 H new ATOM 0 HB1 ALA A 26 1.348 -0.409 -5.183 1.00 0.00 H new ATOM 0 HB2 ALA A 26 1.071 1.013 -6.217 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.028 0.723 -4.805 1.00 0.00 H new ATOM 401 N LEU A 27 -1.970 -1.238 -4.787 1.00 0.00 N ATOM 402 CA LEU A 27 -2.682 -2.226 -3.924 1.00 0.00 C ATOM 403 C LEU A 27 -3.636 -3.052 -4.792 1.00 0.00 C ATOM 404 O LEU A 27 -3.654 -4.264 -4.728 1.00 0.00 O ATOM 405 CB LEU A 27 -3.479 -1.481 -2.837 1.00 0.00 C ATOM 406 CG LEU A 27 -2.573 -1.147 -1.645 1.00 0.00 C ATOM 407 CD1 LEU A 27 -1.441 -0.217 -2.093 1.00 0.00 C ATOM 408 CD2 LEU A 27 -3.402 -0.456 -0.560 1.00 0.00 C ATOM 0 H LEU A 27 -2.259 -0.268 -4.663 1.00 0.00 H new ATOM 0 HA LEU A 27 -1.959 -2.887 -3.446 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -3.900 -0.564 -3.250 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -4.316 -2.095 -2.505 1.00 0.00 H new ATOM 0 HG LEU A 27 -2.142 -2.067 -1.250 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -0.802 0.015 -1.241 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -0.850 -0.709 -2.866 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -1.864 0.705 -2.492 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -2.762 -0.217 0.289 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -3.832 0.462 -0.960 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -4.203 -1.121 -0.235 1.00 0.00 H new ATOM 420 N MET A 28 -4.427 -2.409 -5.607 1.00 0.00 N ATOM 421 CA MET A 28 -5.368 -3.170 -6.475 1.00 0.00 C ATOM 422 C MET A 28 -4.563 -4.137 -7.341 1.00 0.00 C ATOM 423 O MET A 28 -4.954 -5.266 -7.559 1.00 0.00 O ATOM 424 CB MET A 28 -6.149 -2.194 -7.366 1.00 0.00 C ATOM 425 CG MET A 28 -7.290 -2.930 -8.079 1.00 0.00 C ATOM 426 SD MET A 28 -8.576 -3.359 -6.880 1.00 0.00 S ATOM 427 CE MET A 28 -9.899 -3.680 -8.073 1.00 0.00 C ATOM 0 H MET A 28 -4.462 -1.395 -5.709 1.00 0.00 H new ATOM 0 HA MET A 28 -6.075 -3.728 -5.861 1.00 0.00 H new ATOM 0 HB2 MET A 28 -6.552 -1.381 -6.762 1.00 0.00 H new ATOM 0 HB3 MET A 28 -5.480 -1.745 -8.100 1.00 0.00 H new ATOM 0 HG2 MET A 28 -7.707 -2.301 -8.866 1.00 0.00 H new ATOM 0 HG3 MET A 28 -6.911 -3.832 -8.559 1.00 0.00 H new ATOM 0 HE1 MET A 28 -10.806 -3.967 -7.542 1.00 0.00 H new ATOM 0 HE2 MET A 28 -10.090 -2.779 -8.656 1.00 0.00 H new ATOM 0 HE3 MET A 28 -9.599 -4.488 -8.741 1.00 0.00 H new ATOM 437 N GLU A 29 -3.432 -3.703 -7.826 1.00 0.00 N ATOM 438 CA GLU A 29 -2.592 -4.598 -8.666 1.00 0.00 C ATOM 439 C GLU A 29 -1.917 -5.637 -7.768 1.00 0.00 C ATOM 440 O GLU A 29 -1.579 -6.721 -8.203 1.00 0.00 O ATOM 441 CB GLU A 29 -1.531 -3.768 -9.389 1.00 0.00 C ATOM 442 CG GLU A 29 -0.679 -4.679 -10.280 1.00 0.00 C ATOM 443 CD GLU A 29 0.209 -3.826 -11.190 1.00 0.00 C ATOM 444 OE1 GLU A 29 -0.308 -2.894 -11.783 1.00 0.00 O ATOM 445 OE2 GLU A 29 1.389 -4.120 -11.277 1.00 0.00 O ATOM 0 H GLU A 29 -3.055 -2.767 -7.676 1.00 0.00 H new ATOM 0 HA GLU A 29 -3.213 -5.105 -9.405 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -2.009 -2.996 -9.993 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -0.898 -3.258 -8.663 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -0.063 -5.333 -9.664 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -1.323 -5.321 -10.882 1.00 0.00 H new ATOM 452 N CYS A 30 -1.720 -5.319 -6.514 1.00 0.00 N ATOM 453 CA CYS A 30 -1.069 -6.299 -5.593 1.00 0.00 C ATOM 454 C CYS A 30 -1.880 -7.595 -5.581 1.00 0.00 C ATOM 455 O CYS A 30 -1.341 -8.673 -5.426 1.00 0.00 O ATOM 456 CB CYS A 30 -1.005 -5.721 -4.176 1.00 0.00 C ATOM 457 SG CYS A 30 0.023 -6.792 -3.140 1.00 0.00 S ATOM 0 H CYS A 30 -1.980 -4.429 -6.090 1.00 0.00 H new ATOM 0 HA CYS A 30 -0.056 -6.502 -5.940 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -0.591 -4.713 -4.200 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -2.008 -5.644 -3.757 1.00 0.00 H new ATOM 0 HG CYS A 30 -0.069 -8.019 -3.559 1.00 0.00 H new ATOM 463 N SER A 31 -3.172 -7.500 -5.746 1.00 0.00 N ATOM 464 CA SER A 31 -4.017 -8.721 -5.748 1.00 0.00 C ATOM 465 C SER A 31 -3.435 -9.738 -6.733 1.00 0.00 C ATOM 466 O SER A 31 -3.603 -10.932 -6.583 1.00 0.00 O ATOM 467 CB SER A 31 -5.440 -8.357 -6.172 1.00 0.00 C ATOM 468 OG SER A 31 -6.187 -9.548 -6.379 1.00 0.00 O ATOM 0 H SER A 31 -3.677 -6.624 -5.880 1.00 0.00 H new ATOM 0 HA SER A 31 -4.037 -9.152 -4.747 1.00 0.00 H new ATOM 0 HB2 SER A 31 -5.915 -7.745 -5.405 1.00 0.00 H new ATOM 0 HB3 SER A 31 -5.419 -7.764 -7.086 1.00 0.00 H new ATOM 0 HG SER A 31 -7.100 -9.318 -6.650 1.00 0.00 H new ATOM 474 N GLU A 32 -2.747 -9.268 -7.738 1.00 0.00 N ATOM 475 CA GLU A 32 -2.148 -10.202 -8.732 1.00 0.00 C ATOM 476 C GLU A 32 -1.020 -10.993 -8.070 1.00 0.00 C ATOM 477 O GLU A 32 -1.023 -12.207 -8.063 1.00 0.00 O ATOM 478 CB GLU A 32 -1.571 -9.400 -9.902 1.00 0.00 C ATOM 479 CG GLU A 32 -2.697 -8.654 -10.626 1.00 0.00 C ATOM 480 CD GLU A 32 -3.598 -9.656 -11.352 1.00 0.00 C ATOM 481 OE1 GLU A 32 -3.068 -10.604 -11.908 1.00 0.00 O ATOM 482 OE2 GLU A 32 -4.801 -9.457 -11.340 1.00 0.00 O ATOM 0 H GLU A 32 -2.574 -8.278 -7.913 1.00 0.00 H new ATOM 0 HA GLU A 32 -2.916 -10.885 -9.095 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -0.828 -8.691 -9.537 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -1.060 -10.068 -10.596 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -3.282 -8.076 -9.910 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -2.276 -7.945 -11.339 1.00 0.00 H new ATOM 489 N ASN A 33 -0.056 -10.308 -7.511 1.00 0.00 N ATOM 490 CA ASN A 33 1.085 -11.003 -6.842 1.00 0.00 C ATOM 491 C ASN A 33 2.146 -9.953 -6.463 1.00 0.00 C ATOM 492 O ASN A 33 2.210 -8.901 -7.068 1.00 0.00 O ATOM 493 CB ASN A 33 1.705 -12.039 -7.807 1.00 0.00 C ATOM 494 CG ASN A 33 1.628 -11.516 -9.244 1.00 0.00 C ATOM 495 OD1 ASN A 33 1.711 -10.326 -9.476 1.00 0.00 O ATOM 496 ND2 ASN A 33 1.472 -12.362 -10.226 1.00 0.00 N ATOM 0 H ASN A 33 -0.010 -9.289 -7.489 1.00 0.00 H new ATOM 0 HA ASN A 33 0.732 -11.518 -5.949 1.00 0.00 H new ATOM 0 HB2 ASN A 33 2.743 -12.229 -7.534 1.00 0.00 H new ATOM 0 HB3 ASN A 33 1.175 -12.988 -7.726 1.00 0.00 H new ATOM 0 HD21 ASN A 33 1.420 -12.024 -11.187 1.00 0.00 H new ATOM 0 HD22 ASN A 33 1.402 -13.361 -10.032 1.00 0.00 H new ATOM 503 N PRO A 34 2.984 -10.229 -5.483 1.00 0.00 N ATOM 504 CA PRO A 34 4.060 -9.278 -5.061 1.00 0.00 C ATOM 505 C PRO A 34 4.829 -8.690 -6.256 1.00 0.00 C ATOM 506 O PRO A 34 5.620 -7.780 -6.108 1.00 0.00 O ATOM 507 CB PRO A 34 4.987 -10.146 -4.198 1.00 0.00 C ATOM 508 CG PRO A 34 4.089 -11.185 -3.607 1.00 0.00 C ATOM 509 CD PRO A 34 3.004 -11.461 -4.661 1.00 0.00 C ATOM 0 HA PRO A 34 3.653 -8.414 -4.536 1.00 0.00 H new ATOM 0 HB2 PRO A 34 5.777 -10.599 -4.797 1.00 0.00 H new ATOM 0 HB3 PRO A 34 5.474 -9.555 -3.422 1.00 0.00 H new ATOM 0 HG2 PRO A 34 4.645 -12.093 -3.373 1.00 0.00 H new ATOM 0 HG3 PRO A 34 3.646 -10.833 -2.675 1.00 0.00 H new ATOM 0 HD2 PRO A 34 3.245 -12.338 -5.262 1.00 0.00 H new ATOM 0 HD3 PRO A 34 2.035 -11.648 -4.198 1.00 0.00 H new ATOM 517 N MET A 35 4.604 -9.205 -7.435 1.00 0.00 N ATOM 518 CA MET A 35 5.322 -8.679 -8.629 1.00 0.00 C ATOM 519 C MET A 35 4.891 -7.238 -8.872 1.00 0.00 C ATOM 520 O MET A 35 5.419 -6.550 -9.722 1.00 0.00 O ATOM 521 CB MET A 35 4.975 -9.532 -9.852 1.00 0.00 C ATOM 522 CG MET A 35 5.383 -10.983 -9.595 1.00 0.00 C ATOM 523 SD MET A 35 4.988 -11.987 -11.049 1.00 0.00 S ATOM 524 CE MET A 35 5.253 -13.606 -10.285 1.00 0.00 C ATOM 0 H MET A 35 3.953 -9.968 -7.622 1.00 0.00 H new ATOM 0 HA MET A 35 6.398 -8.717 -8.459 1.00 0.00 H new ATOM 0 HB2 MET A 35 3.906 -9.475 -10.057 1.00 0.00 H new ATOM 0 HB3 MET A 35 5.490 -9.149 -10.733 1.00 0.00 H new ATOM 0 HG2 MET A 35 6.450 -11.039 -9.380 1.00 0.00 H new ATOM 0 HG3 MET A 35 4.860 -11.369 -8.720 1.00 0.00 H new ATOM 0 HE1 MET A 35 5.061 -14.390 -11.018 1.00 0.00 H new ATOM 0 HE2 MET A 35 6.283 -13.679 -9.936 1.00 0.00 H new ATOM 0 HE3 MET A 35 4.574 -13.725 -9.440 1.00 0.00 H new ATOM 534 N ASN A 36 3.920 -6.783 -8.137 1.00 0.00 N ATOM 535 CA ASN A 36 3.433 -5.393 -8.322 1.00 0.00 C ATOM 536 C ASN A 36 4.533 -4.396 -7.974 1.00 0.00 C ATOM 537 O ASN A 36 5.019 -3.662 -8.811 1.00 0.00 O ATOM 538 CB ASN A 36 2.254 -5.145 -7.385 1.00 0.00 C ATOM 539 CG ASN A 36 1.702 -3.742 -7.619 1.00 0.00 C ATOM 540 OD1 ASN A 36 1.446 -3.013 -6.683 1.00 0.00 O ATOM 541 ND2 ASN A 36 1.513 -3.329 -8.838 1.00 0.00 N ATOM 0 H ASN A 36 3.440 -7.317 -7.412 1.00 0.00 H new ATOM 0 HA ASN A 36 3.135 -5.264 -9.362 1.00 0.00 H new ATOM 0 HB2 ASN A 36 1.475 -5.887 -7.560 1.00 0.00 H new ATOM 0 HB3 ASN A 36 2.571 -5.254 -6.348 1.00 0.00 H new ATOM 0 HD21 ASN A 36 1.149 -2.391 -9.008 1.00 0.00 H new ATOM 0 HD22 ASN A 36 1.729 -3.943 -9.624 1.00 0.00 H new ATOM 548 N ILE A 37 4.903 -4.352 -6.729 1.00 0.00 N ATOM 549 CA ILE A 37 5.940 -3.389 -6.283 1.00 0.00 C ATOM 550 C ILE A 37 7.224 -3.590 -7.088 1.00 0.00 C ATOM 551 O ILE A 37 7.972 -2.662 -7.322 1.00 0.00 O ATOM 552 CB ILE A 37 6.194 -3.598 -4.777 1.00 0.00 C ATOM 553 CG1 ILE A 37 6.950 -2.390 -4.196 1.00 0.00 C ATOM 554 CG2 ILE A 37 7.011 -4.878 -4.541 1.00 0.00 C ATOM 555 CD1 ILE A 37 6.066 -1.133 -4.226 1.00 0.00 C ATOM 0 H ILE A 37 4.526 -4.949 -5.993 1.00 0.00 H new ATOM 0 HA ILE A 37 5.599 -2.367 -6.450 1.00 0.00 H new ATOM 0 HB ILE A 37 5.231 -3.696 -4.276 1.00 0.00 H new ATOM 0 HG12 ILE A 37 7.254 -2.603 -3.171 1.00 0.00 H new ATOM 0 HG13 ILE A 37 7.861 -2.214 -4.769 1.00 0.00 H new ATOM 0 HG21 ILE A 37 7.181 -5.009 -3.472 1.00 0.00 H new ATOM 0 HG22 ILE A 37 6.463 -5.736 -4.930 1.00 0.00 H new ATOM 0 HG23 ILE A 37 7.970 -4.797 -5.053 1.00 0.00 H new ATOM 0 HD11 ILE A 37 6.618 -0.290 -3.811 1.00 0.00 H new ATOM 0 HD12 ILE A 37 5.784 -0.911 -5.255 1.00 0.00 H new ATOM 0 HD13 ILE A 37 5.168 -1.306 -3.633 1.00 0.00 H new ATOM 567 N MET A 38 7.482 -4.791 -7.523 1.00 0.00 N ATOM 568 CA MET A 38 8.714 -5.042 -8.320 1.00 0.00 C ATOM 569 C MET A 38 8.729 -4.092 -9.522 1.00 0.00 C ATOM 570 O MET A 38 9.746 -3.891 -10.156 1.00 0.00 O ATOM 571 CB MET A 38 8.714 -6.496 -8.804 1.00 0.00 C ATOM 572 CG MET A 38 8.979 -7.435 -7.623 1.00 0.00 C ATOM 573 SD MET A 38 9.101 -9.139 -8.222 1.00 0.00 S ATOM 574 CE MET A 38 9.174 -9.944 -6.604 1.00 0.00 C ATOM 0 H MET A 38 6.894 -5.609 -7.361 1.00 0.00 H new ATOM 0 HA MET A 38 9.599 -4.869 -7.708 1.00 0.00 H new ATOM 0 HB2 MET A 38 7.755 -6.736 -9.264 1.00 0.00 H new ATOM 0 HB3 MET A 38 9.478 -6.634 -9.569 1.00 0.00 H new ATOM 0 HG2 MET A 38 9.901 -7.149 -7.117 1.00 0.00 H new ATOM 0 HG3 MET A 38 8.175 -7.352 -6.891 1.00 0.00 H new ATOM 0 HE1 MET A 38 9.253 -11.023 -6.738 1.00 0.00 H new ATOM 0 HE2 MET A 38 10.044 -9.581 -6.056 1.00 0.00 H new ATOM 0 HE3 MET A 38 8.269 -9.714 -6.042 1.00 0.00 H new ATOM 584 N LYS A 39 7.600 -3.499 -9.827 1.00 0.00 N ATOM 585 CA LYS A 39 7.516 -2.544 -10.977 1.00 0.00 C ATOM 586 C LYS A 39 7.534 -1.110 -10.442 1.00 0.00 C ATOM 587 O LYS A 39 8.278 -0.272 -10.910 1.00 0.00 O ATOM 588 CB LYS A 39 6.210 -2.784 -11.741 1.00 0.00 C ATOM 589 CG LYS A 39 6.206 -4.204 -12.325 1.00 0.00 C ATOM 590 CD LYS A 39 5.059 -4.354 -13.335 1.00 0.00 C ATOM 591 CE LYS A 39 3.706 -4.161 -12.637 1.00 0.00 C ATOM 592 NZ LYS A 39 2.623 -4.710 -13.502 1.00 0.00 N ATOM 0 H LYS A 39 6.724 -3.637 -9.323 1.00 0.00 H new ATOM 0 HA LYS A 39 8.363 -2.698 -11.645 1.00 0.00 H new ATOM 0 HB2 LYS A 39 5.358 -2.652 -11.074 1.00 0.00 H new ATOM 0 HB3 LYS A 39 6.105 -2.051 -12.541 1.00 0.00 H new ATOM 0 HG2 LYS A 39 7.159 -4.408 -12.812 1.00 0.00 H new ATOM 0 HG3 LYS A 39 6.094 -4.935 -11.524 1.00 0.00 H new ATOM 0 HD2 LYS A 39 5.171 -3.622 -14.134 1.00 0.00 H new ATOM 0 HD3 LYS A 39 5.100 -5.340 -13.798 1.00 0.00 H new ATOM 0 HE2 LYS A 39 3.707 -4.666 -11.671 1.00 0.00 H new ATOM 0 HE3 LYS A 39 3.531 -3.103 -12.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 1.743 -4.784 -12.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 2.472 -4.077 -14.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 2.897 -5.653 -13.845 1.00 0.00 H new ATOM 606 N TYR A 40 6.722 -0.822 -9.457 1.00 0.00 N ATOM 607 CA TYR A 40 6.693 0.549 -8.886 1.00 0.00 C ATOM 608 C TYR A 40 7.948 0.761 -8.040 1.00 0.00 C ATOM 609 O TYR A 40 8.094 1.760 -7.363 1.00 0.00 O ATOM 610 CB TYR A 40 5.449 0.696 -8.009 1.00 0.00 C ATOM 611 CG TYR A 40 4.213 0.665 -8.874 1.00 0.00 C ATOM 612 CD1 TYR A 40 3.650 -0.560 -9.240 1.00 0.00 C ATOM 613 CD2 TYR A 40 3.639 1.861 -9.318 1.00 0.00 C ATOM 614 CE1 TYR A 40 2.511 -0.592 -10.050 1.00 0.00 C ATOM 615 CE2 TYR A 40 2.498 1.830 -10.125 1.00 0.00 C ATOM 616 CZ TYR A 40 1.933 0.603 -10.493 1.00 0.00 C ATOM 617 OH TYR A 40 0.809 0.573 -11.292 1.00 0.00 O ATOM 0 H TYR A 40 6.077 -1.484 -9.025 1.00 0.00 H new ATOM 0 HA TYR A 40 6.664 1.290 -9.685 1.00 0.00 H new ATOM 0 HB2 TYR A 40 5.412 -0.109 -7.275 1.00 0.00 H new ATOM 0 HB3 TYR A 40 5.492 1.632 -7.453 1.00 0.00 H new ATOM 0 HD1 TYR A 40 4.095 -1.483 -8.897 1.00 0.00 H new ATOM 0 HD2 TYR A 40 4.077 2.807 -9.038 1.00 0.00 H new ATOM 0 HE1 TYR A 40 2.077 -1.539 -10.334 1.00 0.00 H new ATOM 0 HE2 TYR A 40 2.052 2.753 -10.465 1.00 0.00 H new ATOM 0 HH TYR A 40 0.537 1.489 -11.509 1.00 0.00 H new ATOM 627 N GLN A 41 8.858 -0.174 -8.076 1.00 0.00 N ATOM 628 CA GLN A 41 10.109 -0.034 -7.279 1.00 0.00 C ATOM 629 C GLN A 41 10.790 1.289 -7.633 1.00 0.00 C ATOM 630 O GLN A 41 11.645 1.771 -6.917 1.00 0.00 O ATOM 631 CB GLN A 41 11.048 -1.202 -7.596 1.00 0.00 C ATOM 632 CG GLN A 41 11.224 -1.328 -9.112 1.00 0.00 C ATOM 633 CD GLN A 41 12.177 -2.485 -9.424 1.00 0.00 C ATOM 634 OE1 GLN A 41 12.187 -2.997 -10.525 1.00 0.00 O ATOM 635 NE2 GLN A 41 12.984 -2.921 -8.495 1.00 0.00 N ATOM 0 H GLN A 41 8.788 -1.031 -8.625 1.00 0.00 H new ATOM 0 HA GLN A 41 9.870 -0.043 -6.216 1.00 0.00 H new ATOM 0 HB2 GLN A 41 12.016 -1.042 -7.120 1.00 0.00 H new ATOM 0 HB3 GLN A 41 10.642 -2.128 -7.189 1.00 0.00 H new ATOM 0 HG2 GLN A 41 10.258 -1.501 -9.587 1.00 0.00 H new ATOM 0 HG3 GLN A 41 11.619 -0.398 -9.521 1.00 0.00 H new ATOM 0 HE21 GLN A 41 12.976 -2.491 -7.570 1.00 0.00 H new ATOM 0 HE22 GLN A 41 13.622 -3.691 -8.694 1.00 0.00 H new ATOM 644 N ASN A 42 10.409 1.882 -8.736 1.00 0.00 N ATOM 645 CA ASN A 42 11.016 3.184 -9.152 1.00 0.00 C ATOM 646 C ASN A 42 10.111 4.326 -8.687 1.00 0.00 C ATOM 647 O ASN A 42 10.506 5.474 -8.658 1.00 0.00 O ATOM 648 CB ASN A 42 11.135 3.221 -10.677 1.00 0.00 C ATOM 649 CG ASN A 42 12.082 2.113 -11.143 1.00 0.00 C ATOM 650 OD1 ASN A 42 13.039 1.792 -10.467 1.00 0.00 O ATOM 651 ND2 ASN A 42 11.854 1.511 -12.278 1.00 0.00 N ATOM 0 H ASN A 42 9.699 1.518 -9.371 1.00 0.00 H new ATOM 0 HA ASN A 42 12.005 3.291 -8.706 1.00 0.00 H new ATOM 0 HB2 ASN A 42 10.153 3.090 -11.132 1.00 0.00 H new ATOM 0 HB3 ASN A 42 11.509 4.193 -11.000 1.00 0.00 H new ATOM 0 HD21 ASN A 42 12.479 0.771 -12.597 1.00 0.00 H new ATOM 0 HD22 ASN A 42 11.051 1.780 -12.846 1.00 0.00 H new ATOM 658 N ASP A 43 8.893 4.016 -8.322 1.00 0.00 N ATOM 659 CA ASP A 43 7.949 5.076 -7.857 1.00 0.00 C ATOM 660 C ASP A 43 8.187 5.347 -6.367 1.00 0.00 C ATOM 661 O ASP A 43 7.608 4.709 -5.509 1.00 0.00 O ATOM 662 CB ASP A 43 6.508 4.595 -8.076 1.00 0.00 C ATOM 663 CG ASP A 43 5.543 5.780 -7.973 1.00 0.00 C ATOM 664 OD1 ASP A 43 5.949 6.808 -7.456 1.00 0.00 O ATOM 665 OD2 ASP A 43 4.413 5.638 -8.411 1.00 0.00 O ATOM 0 H ASP A 43 8.511 3.070 -8.326 1.00 0.00 H new ATOM 0 HA ASP A 43 8.114 5.995 -8.419 1.00 0.00 H new ATOM 0 HB2 ASP A 43 6.417 4.124 -9.055 1.00 0.00 H new ATOM 0 HB3 ASP A 43 6.251 3.839 -7.334 1.00 0.00 H new ATOM 670 N LYS A 44 9.044 6.283 -6.055 1.00 0.00 N ATOM 671 CA LYS A 44 9.343 6.592 -4.632 1.00 0.00 C ATOM 672 C LYS A 44 8.046 6.788 -3.839 1.00 0.00 C ATOM 673 O LYS A 44 8.020 6.643 -2.633 1.00 0.00 O ATOM 674 CB LYS A 44 10.181 7.872 -4.558 1.00 0.00 C ATOM 675 CG LYS A 44 10.643 8.102 -3.117 1.00 0.00 C ATOM 676 CD LYS A 44 11.602 9.294 -3.072 1.00 0.00 C ATOM 677 CE LYS A 44 12.082 9.509 -1.635 1.00 0.00 C ATOM 678 NZ LYS A 44 12.696 8.251 -1.123 1.00 0.00 N ATOM 0 H LYS A 44 9.552 6.850 -6.734 1.00 0.00 H new ATOM 0 HA LYS A 44 9.895 5.758 -4.200 1.00 0.00 H new ATOM 0 HB2 LYS A 44 11.044 7.792 -5.219 1.00 0.00 H new ATOM 0 HB3 LYS A 44 9.594 8.723 -4.902 1.00 0.00 H new ATOM 0 HG2 LYS A 44 9.783 8.289 -2.474 1.00 0.00 H new ATOM 0 HG3 LYS A 44 11.138 7.209 -2.736 1.00 0.00 H new ATOM 0 HD2 LYS A 44 12.454 9.114 -3.728 1.00 0.00 H new ATOM 0 HD3 LYS A 44 11.102 10.191 -3.438 1.00 0.00 H new ATOM 0 HE2 LYS A 44 12.808 10.321 -1.600 1.00 0.00 H new ATOM 0 HE3 LYS A 44 11.245 9.802 -1.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 13.512 8.483 -0.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 11.994 7.723 -0.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 13.012 7.668 -1.924 1.00 0.00 H new ATOM 692 N GLU A 45 6.971 7.116 -4.502 1.00 0.00 N ATOM 693 CA GLU A 45 5.683 7.318 -3.777 1.00 0.00 C ATOM 694 C GLU A 45 5.146 5.966 -3.300 1.00 0.00 C ATOM 695 O GLU A 45 4.810 5.789 -2.144 1.00 0.00 O ATOM 696 CB GLU A 45 4.666 7.967 -4.720 1.00 0.00 C ATOM 697 CG GLU A 45 3.394 8.314 -3.943 1.00 0.00 C ATOM 698 CD GLU A 45 2.439 9.093 -4.849 1.00 0.00 C ATOM 699 OE1 GLU A 45 1.900 8.493 -5.764 1.00 0.00 O ATOM 700 OE2 GLU A 45 2.262 10.277 -4.611 1.00 0.00 O ATOM 0 H GLU A 45 6.928 7.253 -5.512 1.00 0.00 H new ATOM 0 HA GLU A 45 5.848 7.966 -2.916 1.00 0.00 H new ATOM 0 HB2 GLU A 45 5.090 8.868 -5.164 1.00 0.00 H new ATOM 0 HB3 GLU A 45 4.430 7.288 -5.539 1.00 0.00 H new ATOM 0 HG2 GLU A 45 2.913 7.403 -3.587 1.00 0.00 H new ATOM 0 HG3 GLU A 45 3.643 8.908 -3.063 1.00 0.00 H new ATOM 707 N VAL A 46 5.063 5.008 -4.184 1.00 0.00 N ATOM 708 CA VAL A 46 4.548 3.670 -3.788 1.00 0.00 C ATOM 709 C VAL A 46 5.558 2.993 -2.859 1.00 0.00 C ATOM 710 O VAL A 46 5.205 2.222 -1.999 1.00 0.00 O ATOM 711 CB VAL A 46 4.353 2.804 -5.031 1.00 0.00 C ATOM 712 CG1 VAL A 46 3.727 1.464 -4.636 1.00 0.00 C ATOM 713 CG2 VAL A 46 3.428 3.523 -6.015 1.00 0.00 C ATOM 0 H VAL A 46 5.331 5.097 -5.164 1.00 0.00 H new ATOM 0 HA VAL A 46 3.594 3.789 -3.274 1.00 0.00 H new ATOM 0 HB VAL A 46 5.321 2.627 -5.500 1.00 0.00 H new ATOM 0 HG11 VAL A 46 3.590 0.850 -5.526 1.00 0.00 H new ATOM 0 HG12 VAL A 46 4.384 0.947 -3.937 1.00 0.00 H new ATOM 0 HG13 VAL A 46 2.760 1.639 -4.164 1.00 0.00 H new ATOM 0 HG21 VAL A 46 3.289 2.905 -6.902 1.00 0.00 H new ATOM 0 HG22 VAL A 46 2.462 3.702 -5.542 1.00 0.00 H new ATOM 0 HG23 VAL A 46 3.873 4.476 -6.303 1.00 0.00 H new ATOM 723 N MET A 47 6.817 3.271 -3.027 1.00 0.00 N ATOM 724 CA MET A 47 7.835 2.633 -2.146 1.00 0.00 C ATOM 725 C MET A 47 7.629 3.125 -0.717 1.00 0.00 C ATOM 726 O MET A 47 7.685 2.371 0.226 1.00 0.00 O ATOM 727 CB MET A 47 9.240 3.022 -2.614 1.00 0.00 C ATOM 728 CG MET A 47 9.488 2.487 -4.027 1.00 0.00 C ATOM 729 SD MET A 47 10.970 3.273 -4.711 1.00 0.00 S ATOM 730 CE MET A 47 12.191 2.151 -3.984 1.00 0.00 C ATOM 0 H MET A 47 7.187 3.909 -3.732 1.00 0.00 H new ATOM 0 HA MET A 47 7.728 1.549 -2.189 1.00 0.00 H new ATOM 0 HB2 MET A 47 9.349 4.106 -2.603 1.00 0.00 H new ATOM 0 HB3 MET A 47 9.985 2.620 -1.928 1.00 0.00 H new ATOM 0 HG2 MET A 47 9.615 1.405 -4.002 1.00 0.00 H new ATOM 0 HG3 MET A 47 8.627 2.692 -4.663 1.00 0.00 H new ATOM 0 HE1 MET A 47 13.193 2.459 -4.284 1.00 0.00 H new ATOM 0 HE2 MET A 47 12.112 2.182 -2.897 1.00 0.00 H new ATOM 0 HE3 MET A 47 12.005 1.135 -4.333 1.00 0.00 H new ATOM 740 N ASP A 48 7.393 4.391 -0.560 1.00 0.00 N ATOM 741 CA ASP A 48 7.187 4.961 0.800 1.00 0.00 C ATOM 742 C ASP A 48 5.983 4.306 1.484 1.00 0.00 C ATOM 743 O ASP A 48 6.068 3.805 2.591 1.00 0.00 O ATOM 744 CB ASP A 48 6.907 6.461 0.646 1.00 0.00 C ATOM 745 CG ASP A 48 8.209 7.208 0.342 1.00 0.00 C ATOM 746 OD1 ASP A 48 9.145 6.567 -0.110 1.00 0.00 O ATOM 747 OD2 ASP A 48 8.248 8.406 0.567 1.00 0.00 O ATOM 0 H ASP A 48 7.333 5.066 -1.322 1.00 0.00 H new ATOM 0 HA ASP A 48 8.075 4.782 1.407 1.00 0.00 H new ATOM 0 HB2 ASP A 48 6.188 6.625 -0.157 1.00 0.00 H new ATOM 0 HB3 ASP A 48 6.459 6.851 1.560 1.00 0.00 H new ATOM 752 N VAL A 49 4.859 4.341 0.838 1.00 0.00 N ATOM 753 CA VAL A 49 3.620 3.774 1.434 1.00 0.00 C ATOM 754 C VAL A 49 3.687 2.246 1.493 1.00 0.00 C ATOM 755 O VAL A 49 3.391 1.646 2.504 1.00 0.00 O ATOM 756 CB VAL A 49 2.438 4.210 0.562 1.00 0.00 C ATOM 757 CG1 VAL A 49 2.603 3.640 -0.849 1.00 0.00 C ATOM 758 CG2 VAL A 49 1.124 3.717 1.170 1.00 0.00 C ATOM 0 H VAL A 49 4.741 4.744 -0.092 1.00 0.00 H new ATOM 0 HA VAL A 49 3.504 4.138 2.455 1.00 0.00 H new ATOM 0 HB VAL A 49 2.416 5.299 0.512 1.00 0.00 H new ATOM 0 HG11 VAL A 49 1.761 3.951 -1.468 1.00 0.00 H new ATOM 0 HG12 VAL A 49 3.531 4.011 -1.285 1.00 0.00 H new ATOM 0 HG13 VAL A 49 2.635 2.552 -0.800 1.00 0.00 H new ATOM 0 HG21 VAL A 49 0.291 4.033 0.542 1.00 0.00 H new ATOM 0 HG22 VAL A 49 1.138 2.629 1.234 1.00 0.00 H new ATOM 0 HG23 VAL A 49 1.005 4.137 2.169 1.00 0.00 H new ATOM 768 N PHE A 50 4.040 1.609 0.413 1.00 0.00 N ATOM 769 CA PHE A 50 4.078 0.121 0.410 1.00 0.00 C ATOM 770 C PHE A 50 5.198 -0.398 1.331 1.00 0.00 C ATOM 771 O PHE A 50 5.065 -1.438 1.954 1.00 0.00 O ATOM 772 CB PHE A 50 4.270 -0.385 -1.037 1.00 0.00 C ATOM 773 CG PHE A 50 3.436 -1.630 -1.240 1.00 0.00 C ATOM 774 CD1 PHE A 50 2.043 -1.515 -1.288 1.00 0.00 C ATOM 775 CD2 PHE A 50 4.040 -2.886 -1.360 1.00 0.00 C ATOM 776 CE1 PHE A 50 1.252 -2.650 -1.457 1.00 0.00 C ATOM 777 CE2 PHE A 50 3.248 -4.025 -1.532 1.00 0.00 C ATOM 778 CZ PHE A 50 1.852 -3.908 -1.580 1.00 0.00 C ATOM 0 H PHE A 50 4.304 2.053 -0.467 1.00 0.00 H new ATOM 0 HA PHE A 50 3.133 -0.262 0.795 1.00 0.00 H new ATOM 0 HB2 PHE A 50 3.973 0.386 -1.748 1.00 0.00 H new ATOM 0 HB3 PHE A 50 5.322 -0.602 -1.223 1.00 0.00 H new ATOM 0 HD1 PHE A 50 1.579 -0.544 -1.194 1.00 0.00 H new ATOM 0 HD2 PHE A 50 5.116 -2.976 -1.320 1.00 0.00 H new ATOM 0 HE1 PHE A 50 0.176 -2.559 -1.493 1.00 0.00 H new ATOM 0 HE2 PHE A 50 3.712 -4.996 -1.628 1.00 0.00 H new ATOM 0 HZ PHE A 50 1.240 -4.788 -1.712 1.00 0.00 H new ATOM 788 N ASN A 51 6.289 0.313 1.442 1.00 0.00 N ATOM 789 CA ASN A 51 7.389 -0.154 2.333 1.00 0.00 C ATOM 790 C ASN A 51 6.974 0.071 3.780 1.00 0.00 C ATOM 791 O ASN A 51 7.419 -0.616 4.677 1.00 0.00 O ATOM 792 CB ASN A 51 8.677 0.624 2.049 1.00 0.00 C ATOM 793 CG ASN A 51 9.813 0.053 2.899 1.00 0.00 C ATOM 794 OD1 ASN A 51 10.026 0.480 4.016 1.00 0.00 O ATOM 795 ND2 ASN A 51 10.557 -0.903 2.413 1.00 0.00 N ATOM 0 H ASN A 51 6.465 1.193 0.956 1.00 0.00 H new ATOM 0 HA ASN A 51 7.574 -1.212 2.150 1.00 0.00 H new ATOM 0 HB2 ASN A 51 8.930 0.556 0.991 1.00 0.00 H new ATOM 0 HB3 ASN A 51 8.534 1.681 2.275 1.00 0.00 H new ATOM 0 HD21 ASN A 51 11.317 -1.291 2.971 1.00 0.00 H new ATOM 0 HD22 ASN A 51 10.378 -1.262 1.475 1.00 0.00 H new ATOM 802 N LYS A 52 6.104 1.017 4.019 1.00 0.00 N ATOM 803 CA LYS A 52 5.653 1.259 5.412 1.00 0.00 C ATOM 804 C LYS A 52 4.667 0.158 5.757 1.00 0.00 C ATOM 805 O LYS A 52 4.682 -0.418 6.824 1.00 0.00 O ATOM 806 CB LYS A 52 4.962 2.624 5.509 1.00 0.00 C ATOM 807 CG LYS A 52 4.383 2.811 6.917 1.00 0.00 C ATOM 808 CD LYS A 52 3.952 4.268 7.109 1.00 0.00 C ATOM 809 CE LYS A 52 3.269 4.423 8.470 1.00 0.00 C ATOM 810 NZ LYS A 52 2.025 3.603 8.497 1.00 0.00 N ATOM 0 H LYS A 52 5.691 1.626 3.313 1.00 0.00 H new ATOM 0 HA LYS A 52 6.499 1.257 6.100 1.00 0.00 H new ATOM 0 HB2 LYS A 52 5.674 3.419 5.290 1.00 0.00 H new ATOM 0 HB3 LYS A 52 4.167 2.694 4.766 1.00 0.00 H new ATOM 0 HG2 LYS A 52 3.530 2.148 7.061 1.00 0.00 H new ATOM 0 HG3 LYS A 52 5.128 2.540 7.666 1.00 0.00 H new ATOM 0 HD2 LYS A 52 4.819 4.926 7.048 1.00 0.00 H new ATOM 0 HD3 LYS A 52 3.270 4.565 6.312 1.00 0.00 H new ATOM 0 HE2 LYS A 52 3.943 4.106 9.266 1.00 0.00 H new ATOM 0 HE3 LYS A 52 3.031 5.471 8.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 1.222 4.200 8.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 1.847 3.211 7.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 2.137 2.825 9.178 1.00 0.00 H new ATOM 824 N ILE A 53 3.822 -0.142 4.825 1.00 0.00 N ATOM 825 CA ILE A 53 2.813 -1.212 5.013 1.00 0.00 C ATOM 826 C ILE A 53 3.523 -2.483 5.499 1.00 0.00 C ATOM 827 O ILE A 53 3.041 -3.185 6.363 1.00 0.00 O ATOM 828 CB ILE A 53 2.122 -1.427 3.636 1.00 0.00 C ATOM 829 CG1 ILE A 53 0.715 -0.808 3.641 1.00 0.00 C ATOM 830 CG2 ILE A 53 2.014 -2.913 3.259 1.00 0.00 C ATOM 831 CD1 ILE A 53 0.772 0.699 3.945 1.00 0.00 C ATOM 0 H ILE A 53 3.785 0.320 3.916 1.00 0.00 H new ATOM 0 HA ILE A 53 2.063 -0.949 5.759 1.00 0.00 H new ATOM 0 HB ILE A 53 2.748 -0.934 2.892 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.241 -0.969 2.673 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.097 -1.309 4.386 1.00 0.00 H new ATOM 0 HG21 ILE A 53 1.524 -3.008 2.290 1.00 0.00 H new ATOM 0 HG22 ILE A 53 3.012 -3.348 3.206 1.00 0.00 H new ATOM 0 HG23 ILE A 53 1.429 -3.438 4.014 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -0.238 1.109 3.942 1.00 0.00 H new ATOM 0 HD12 ILE A 53 1.224 0.856 4.924 1.00 0.00 H new ATOM 0 HD13 ILE A 53 1.370 1.201 3.185 1.00 0.00 H new ATOM 843 N SER A 54 4.657 -2.789 4.934 1.00 0.00 N ATOM 844 CA SER A 54 5.387 -4.028 5.343 1.00 0.00 C ATOM 845 C SER A 54 6.172 -3.811 6.644 1.00 0.00 C ATOM 846 O SER A 54 6.415 -4.745 7.383 1.00 0.00 O ATOM 847 CB SER A 54 6.355 -4.430 4.232 1.00 0.00 C ATOM 848 OG SER A 54 6.913 -5.703 4.532 1.00 0.00 O ATOM 0 H SER A 54 5.112 -2.237 4.207 1.00 0.00 H new ATOM 0 HA SER A 54 4.654 -4.817 5.514 1.00 0.00 H new ATOM 0 HB2 SER A 54 5.834 -4.465 3.275 1.00 0.00 H new ATOM 0 HB3 SER A 54 7.146 -3.687 4.137 1.00 0.00 H new ATOM 0 HG SER A 54 7.534 -5.964 3.820 1.00 0.00 H new ATOM 854 N GLN A 55 6.583 -2.604 6.936 1.00 0.00 N ATOM 855 CA GLN A 55 7.358 -2.374 8.192 1.00 0.00 C ATOM 856 C GLN A 55 6.415 -2.483 9.389 1.00 0.00 C ATOM 857 O GLN A 55 6.775 -2.994 10.431 1.00 0.00 O ATOM 858 CB GLN A 55 7.995 -0.976 8.156 1.00 0.00 C ATOM 859 CG GLN A 55 9.229 -0.988 7.245 1.00 0.00 C ATOM 860 CD GLN A 55 9.719 0.444 7.022 1.00 0.00 C ATOM 861 OE1 GLN A 55 10.695 0.863 7.611 1.00 0.00 O ATOM 862 NE2 GLN A 55 9.077 1.219 6.191 1.00 0.00 N ATOM 0 H GLN A 55 6.418 -1.775 6.365 1.00 0.00 H new ATOM 0 HA GLN A 55 8.146 -3.122 8.280 1.00 0.00 H new ATOM 0 HB2 GLN A 55 7.271 -0.246 7.793 1.00 0.00 H new ATOM 0 HB3 GLN A 55 8.279 -0.670 9.163 1.00 0.00 H new ATOM 0 HG2 GLN A 55 10.020 -1.587 7.696 1.00 0.00 H new ATOM 0 HG3 GLN A 55 8.983 -1.451 6.290 1.00 0.00 H new ATOM 0 HE21 GLN A 55 8.257 0.868 5.696 1.00 0.00 H new ATOM 0 HE22 GLN A 55 9.395 2.176 6.037 1.00 0.00 H new ATOM 871 N LEU A 56 5.209 -2.002 9.247 1.00 0.00 N ATOM 872 CA LEU A 56 4.231 -2.067 10.374 1.00 0.00 C ATOM 873 C LEU A 56 3.405 -3.353 10.254 1.00 0.00 C ATOM 874 O LEU A 56 2.901 -3.862 11.235 1.00 0.00 O ATOM 875 CB LEU A 56 3.298 -0.846 10.306 1.00 0.00 C ATOM 876 CG LEU A 56 4.021 0.433 10.786 1.00 0.00 C ATOM 877 CD1 LEU A 56 4.335 0.358 12.295 1.00 0.00 C ATOM 878 CD2 LEU A 56 5.326 0.636 9.994 1.00 0.00 C ATOM 0 H LEU A 56 4.857 -1.565 8.395 1.00 0.00 H new ATOM 0 HA LEU A 56 4.763 -2.065 11.325 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.948 -0.708 9.283 1.00 0.00 H new ATOM 0 HB3 LEU A 56 2.417 -1.023 10.923 1.00 0.00 H new ATOM 0 HG LEU A 56 3.357 1.280 10.612 1.00 0.00 H new ATOM 0 HD11 LEU A 56 4.844 1.270 12.607 1.00 0.00 H new ATOM 0 HD12 LEU A 56 3.406 0.251 12.855 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.978 -0.500 12.491 1.00 0.00 H new ATOM 0 HD21 LEU A 56 5.826 1.540 10.342 1.00 0.00 H new ATOM 0 HD22 LEU A 56 5.981 -0.222 10.146 1.00 0.00 H new ATOM 0 HD23 LEU A 56 5.096 0.734 8.933 1.00 0.00 H new ATOM 890 N PHE A 57 3.264 -3.878 9.056 1.00 0.00 N ATOM 891 CA PHE A 57 2.464 -5.135 8.852 1.00 0.00 C ATOM 892 C PHE A 57 3.342 -6.207 8.183 1.00 0.00 C ATOM 893 O PHE A 57 2.980 -6.760 7.162 1.00 0.00 O ATOM 894 CB PHE A 57 1.243 -4.826 7.956 1.00 0.00 C ATOM 895 CG PHE A 57 0.746 -3.419 8.235 1.00 0.00 C ATOM 896 CD1 PHE A 57 0.526 -3.011 9.555 1.00 0.00 C ATOM 897 CD2 PHE A 57 0.510 -2.523 7.181 1.00 0.00 C ATOM 898 CE1 PHE A 57 0.072 -1.714 9.824 1.00 0.00 C ATOM 899 CE2 PHE A 57 0.055 -1.228 7.453 1.00 0.00 C ATOM 900 CZ PHE A 57 -0.163 -0.824 8.772 1.00 0.00 C ATOM 0 H PHE A 57 3.671 -3.488 8.206 1.00 0.00 H new ATOM 0 HA PHE A 57 2.121 -5.507 9.817 1.00 0.00 H new ATOM 0 HB2 PHE A 57 1.517 -4.924 6.905 1.00 0.00 H new ATOM 0 HB3 PHE A 57 0.448 -5.547 8.147 1.00 0.00 H new ATOM 0 HD1 PHE A 57 0.707 -3.698 10.368 1.00 0.00 H new ATOM 0 HD2 PHE A 57 0.679 -2.833 6.160 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -0.097 -1.401 10.844 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -0.128 -0.540 6.641 1.00 0.00 H new ATOM 0 HZ PHE A 57 -0.513 0.176 8.979 1.00 0.00 H new ATOM 910 N PRO A 58 4.483 -6.511 8.753 1.00 0.00 N ATOM 911 CA PRO A 58 5.406 -7.544 8.190 1.00 0.00 C ATOM 912 C PRO A 58 4.754 -8.933 8.183 1.00 0.00 C ATOM 913 O PRO A 58 4.291 -9.406 7.164 1.00 0.00 O ATOM 914 CB PRO A 58 6.627 -7.504 9.133 1.00 0.00 C ATOM 915 CG PRO A 58 6.108 -6.911 10.407 1.00 0.00 C ATOM 916 CD PRO A 58 5.025 -5.915 9.987 1.00 0.00 C ATOM 0 HA PRO A 58 5.671 -7.345 7.152 1.00 0.00 H new ATOM 0 HB2 PRO A 58 7.032 -8.502 9.298 1.00 0.00 H new ATOM 0 HB3 PRO A 58 7.431 -6.899 8.714 1.00 0.00 H new ATOM 0 HG2 PRO A 58 5.699 -7.682 11.060 1.00 0.00 H new ATOM 0 HG3 PRO A 58 6.904 -6.414 10.961 1.00 0.00 H new ATOM 0 HD2 PRO A 58 4.257 -5.807 10.753 1.00 0.00 H new ATOM 0 HD3 PRO A 58 5.438 -4.922 9.808 1.00 0.00 H new ATOM 924 N GLY A 59 4.708 -9.585 9.313 1.00 0.00 N ATOM 925 CA GLY A 59 4.078 -10.935 9.372 1.00 0.00 C ATOM 926 C GLY A 59 2.559 -10.787 9.272 1.00 0.00 C ATOM 927 O GLY A 59 1.818 -11.726 9.486 1.00 0.00 O ATOM 0 H GLY A 59 5.080 -9.241 10.198 1.00 0.00 H new ATOM 0 HA2 GLY A 59 4.449 -11.558 8.558 1.00 0.00 H new ATOM 0 HA3 GLY A 59 4.346 -11.434 10.303 1.00 0.00 H new ATOM 931 N MET A 60 2.092 -9.610 8.950 1.00 0.00 N ATOM 932 CA MET A 60 0.621 -9.387 8.835 1.00 0.00 C ATOM 933 C MET A 60 -0.072 -9.833 10.127 1.00 0.00 C ATOM 934 O MET A 60 -0.359 -10.998 10.319 1.00 0.00 O ATOM 935 CB MET A 60 0.071 -10.189 7.651 1.00 0.00 C ATOM 936 CG MET A 60 0.927 -9.920 6.412 1.00 0.00 C ATOM 937 SD MET A 60 0.191 -10.746 4.977 1.00 0.00 S ATOM 938 CE MET A 60 -0.911 -9.404 4.464 1.00 0.00 C ATOM 0 H MET A 60 2.669 -8.790 8.761 1.00 0.00 H new ATOM 0 HA MET A 60 0.429 -8.326 8.673 1.00 0.00 H new ATOM 0 HB2 MET A 60 0.076 -11.253 7.885 1.00 0.00 H new ATOM 0 HB3 MET A 60 -0.965 -9.910 7.458 1.00 0.00 H new ATOM 0 HG2 MET A 60 0.997 -8.847 6.231 1.00 0.00 H new ATOM 0 HG3 MET A 60 1.942 -10.283 6.573 1.00 0.00 H new ATOM 0 HE1 MET A 60 -1.469 -9.710 3.579 1.00 0.00 H new ATOM 0 HE2 MET A 60 -1.607 -9.176 5.271 1.00 0.00 H new ATOM 0 HE3 MET A 60 -0.321 -8.517 4.232 1.00 0.00 H new ATOM 948 N THR A 61 -0.341 -8.914 11.013 1.00 0.00 N ATOM 949 CA THR A 61 -1.014 -9.283 12.290 1.00 0.00 C ATOM 950 C THR A 61 -2.425 -9.793 11.995 1.00 0.00 C ATOM 951 O THR A 61 -2.734 -10.189 10.888 1.00 0.00 O ATOM 952 CB THR A 61 -1.095 -8.053 13.198 1.00 0.00 C ATOM 953 OG1 THR A 61 -2.056 -7.146 12.676 1.00 0.00 O ATOM 954 CG2 THR A 61 0.272 -7.371 13.261 1.00 0.00 C ATOM 0 H THR A 61 -0.124 -7.923 10.908 1.00 0.00 H new ATOM 0 HA THR A 61 -0.442 -10.066 12.789 1.00 0.00 H new ATOM 0 HB THR A 61 -1.390 -8.360 14.201 1.00 0.00 H new ATOM 0 HG1 THR A 61 -2.111 -6.358 13.256 1.00 0.00 H new ATOM 0 HG21 THR A 61 0.212 -6.496 13.908 1.00 0.00 H new ATOM 0 HG22 THR A 61 1.008 -8.068 13.661 1.00 0.00 H new ATOM 0 HG23 THR A 61 0.571 -7.062 12.259 1.00 0.00 H new ATOM 962 N GLY A 62 -3.286 -9.788 12.976 1.00 0.00 N ATOM 963 CA GLY A 62 -4.677 -10.273 12.750 1.00 0.00 C ATOM 964 C GLY A 62 -5.408 -9.311 11.812 1.00 0.00 C ATOM 965 O GLY A 62 -4.785 -8.360 11.368 1.00 0.00 O ATOM 966 OXT GLY A 62 -6.577 -9.541 11.553 1.00 0.00 O ATOM 0 H GLY A 62 -3.086 -9.469 13.924 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -4.659 -11.274 12.319 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -5.207 -10.345 13.700 1.00 0.00 H new TER 970 GLY A 62