USER MOD reduce.3.24.130724 H: found=0, std=0, add=783, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 783 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 92 ASN : amide:sc= 0.00814 K(o=-0.18,f=-3) USER MOD Set 1.2: A 106 MET CE :methyl 143:sc= -0.188 (180deg=-1.05) USER MOD Set 2.1: A 8 SER OG : rot 180:sc= 0.00551 USER MOD Set 2.2: A 39 MET CE :methyl 180:sc=-0.00758 (180deg=0) USER MOD Single : A 4 THR OG1 : rot -24:sc= 0.441 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 CYS SG : rot -78:sc= -0.143 USER MOD Single : A 24 THR OG1 : rot 80:sc= 0.331 USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 LYS NZ :NH3+ 145:sc= 0.817 (180deg=-0.103!) USER MOD Single : A 32 GLN : amide:sc= -0.0314 X(o=-0.031,f=0) USER MOD Single : A 33 THR OG1 : rot -93:sc= 0.991 USER MOD Single : A 34 SER OG : rot 160:sc= 0.13 USER MOD Single : A 37 SER OG : rot 114:sc= 1.26 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0.0012 USER MOD Single : A 42 ASN : amide:sc= -0.0632 X(o=-0.063,f=-0.11) USER MOD Single : A 43 GLN : amide:sc= -0.0315 K(o=-0.031,f=-1.2) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 GLN : amide:sc= -0.0535 K(o=-0.054,f=-4!) USER MOD Single : A 56 SER OG : rot -115:sc= 1.23 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 165:sc= 0.985 (180deg=0.183) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot 180:sc= 0.0164 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= 0.123 USER MOD Single : A 83 THR OG1 : rot 139:sc= 0.121 USER MOD Single : A 84 LYS NZ :NH3+ 157:sc= 1.34 (180deg=0.473) USER MOD Single : A 85 SER OG : rot 76:sc= 0.477 USER MOD Single : A 87 MET CE :methyl 176:sc= -0.259 (180deg=-0.303) USER MOD Single : A 97 LYS NZ :NH3+ 167:sc= 1.2 (180deg=1.08) USER MOD Single : A 104 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 108 HIS : no HD1:sc= -0.0517 X(o=-0.052,f=-0.17) USER MOD Single : A 109 SER OG : rot -36:sc= 1.14 USER MOD ----------------------------------------------------------------- ATOM 31 N ILE A 3 -12.182 4.558 0.938 1.00 0.57 N ATOM 32 CA ILE A 3 -11.177 5.145 0.059 1.00 0.48 C ATOM 33 C ILE A 3 -11.604 5.121 -1.416 1.00 0.56 C ATOM 34 O ILE A 3 -11.303 6.046 -2.173 1.00 0.61 O ATOM 35 CB ILE A 3 -9.816 4.455 0.286 1.00 0.55 C ATOM 36 CG1 ILE A 3 -9.709 3.080 -0.393 1.00 0.85 C ATOM 37 CG2 ILE A 3 -9.529 4.273 1.786 1.00 0.57 C ATOM 38 CD1 ILE A 3 -9.106 3.151 -1.801 1.00 1.24 C ATOM 0 HA ILE A 3 -11.074 6.199 0.316 1.00 0.48 H new ATOM 0 HB ILE A 3 -9.081 5.119 -0.168 1.00 0.55 H new ATOM 0 HG12 ILE A 3 -9.098 2.423 0.225 1.00 0.85 H new ATOM 0 HG13 ILE A 3 -10.701 2.632 -0.451 1.00 0.85 H new ATOM 0 HG21 ILE A 3 -8.563 3.784 1.915 1.00 0.57 H new ATOM 0 HG22 ILE A 3 -9.510 5.248 2.274 1.00 0.57 H new ATOM 0 HG23 ILE A 3 -10.310 3.658 2.234 1.00 0.57 H new ATOM 0 HD11 ILE A 3 -9.057 2.149 -2.227 1.00 1.24 H new ATOM 0 HD12 ILE A 3 -9.730 3.784 -2.432 1.00 1.24 H new ATOM 0 HD13 ILE A 3 -8.102 3.571 -1.746 1.00 1.24 H new ATOM 50 N THR A 4 -12.348 4.079 -1.811 1.00 0.71 N ATOM 51 CA THR A 4 -12.804 3.785 -3.136 1.00 0.96 C ATOM 52 C THR A 4 -13.781 4.852 -3.645 1.00 1.02 C ATOM 53 O THR A 4 -14.192 4.784 -4.799 1.00 1.48 O ATOM 54 CB THR A 4 -13.446 2.388 -3.042 1.00 1.27 C ATOM 55 OG1 THR A 4 -13.827 2.037 -4.327 1.00 1.43 O ATOM 56 CG2 THR A 4 -14.710 2.332 -2.169 1.00 1.64 C ATOM 0 H THR A 4 -12.661 3.375 -1.142 1.00 0.71 H new ATOM 0 HA THR A 4 -11.990 3.792 -3.861 1.00 0.96 H new ATOM 0 HB THR A 4 -12.712 1.722 -2.588 1.00 1.27 H new ATOM 0 HG1 THR A 4 -13.960 2.847 -4.862 1.00 1.43 H new ATOM 0 HG21 THR A 4 -15.099 1.314 -2.156 1.00 1.64 H new ATOM 0 HG22 THR A 4 -14.464 2.639 -1.153 1.00 1.64 H new ATOM 0 HG23 THR A 4 -15.465 3.003 -2.578 1.00 1.64 H new ATOM 64 N ASP A 5 -14.208 5.763 -2.771 1.00 0.93 N ATOM 65 CA ASP A 5 -15.190 6.802 -3.013 1.00 1.02 C ATOM 66 C ASP A 5 -14.658 8.147 -2.478 1.00 1.05 C ATOM 67 O ASP A 5 -15.373 9.143 -2.464 1.00 1.74 O ATOM 68 CB ASP A 5 -16.446 6.301 -2.300 1.00 1.19 C ATOM 69 CG ASP A 5 -17.700 7.132 -2.482 1.00 1.54 C ATOM 70 OD1 ASP A 5 -17.873 7.733 -3.559 1.00 2.32 O ATOM 71 OD2 ASP A 5 -18.528 7.006 -1.551 1.00 2.40 O ATOM 0 H ASP A 5 -13.850 5.791 -1.816 1.00 0.93 H new ATOM 0 HA ASP A 5 -15.405 6.987 -4.065 1.00 1.02 H new ATOM 0 HB2 ASP A 5 -16.654 5.288 -2.645 1.00 1.19 H new ATOM 0 HB3 ASP A 5 -16.231 6.236 -1.233 1.00 1.19 H new ATOM 76 N VAL A 6 -13.387 8.187 -2.043 1.00 0.70 N ATOM 77 CA VAL A 6 -12.718 9.418 -1.623 1.00 0.66 C ATOM 78 C VAL A 6 -12.013 10.060 -2.820 1.00 0.67 C ATOM 79 O VAL A 6 -12.296 11.200 -3.176 1.00 0.79 O ATOM 80 CB VAL A 6 -11.737 9.124 -0.470 1.00 0.69 C ATOM 81 CG1 VAL A 6 -10.882 10.349 -0.117 1.00 1.18 C ATOM 82 CG2 VAL A 6 -12.501 8.701 0.789 1.00 1.51 C ATOM 0 H VAL A 6 -12.796 7.358 -1.975 1.00 0.70 H new ATOM 0 HA VAL A 6 -13.458 10.127 -1.251 1.00 0.66 H new ATOM 0 HB VAL A 6 -11.085 8.320 -0.813 1.00 0.69 H new ATOM 0 HG11 VAL A 6 -10.205 10.097 0.700 1.00 1.18 H new ATOM 0 HG12 VAL A 6 -10.302 10.651 -0.989 1.00 1.18 H new ATOM 0 HG13 VAL A 6 -11.531 11.170 0.189 1.00 1.18 H new ATOM 0 HG21 VAL A 6 -11.793 8.497 1.593 1.00 1.51 H new ATOM 0 HG22 VAL A 6 -13.174 9.503 1.093 1.00 1.51 H new ATOM 0 HG23 VAL A 6 -13.080 7.802 0.578 1.00 1.51 H new ATOM 92 N LEU A 7 -11.054 9.339 -3.406 1.00 0.59 N ATOM 93 CA LEU A 7 -10.191 9.833 -4.479 1.00 0.58 C ATOM 94 C LEU A 7 -9.488 8.628 -5.094 1.00 0.56 C ATOM 95 O LEU A 7 -9.687 8.327 -6.270 1.00 0.58 O ATOM 96 CB LEU A 7 -9.182 10.859 -3.924 1.00 0.60 C ATOM 97 CG LEU A 7 -8.096 11.280 -4.939 1.00 0.71 C ATOM 98 CD1 LEU A 7 -8.267 12.741 -5.368 1.00 0.84 C ATOM 99 CD2 LEU A 7 -6.699 11.085 -4.334 1.00 1.10 C ATOM 0 H LEU A 7 -10.852 8.375 -3.141 1.00 0.59 H new ATOM 0 HA LEU A 7 -10.774 10.346 -5.244 1.00 0.58 H new ATOM 0 HB2 LEU A 7 -9.724 11.747 -3.597 1.00 0.60 H new ATOM 0 HB3 LEU A 7 -8.698 10.438 -3.043 1.00 0.60 H new ATOM 0 HG LEU A 7 -8.205 10.647 -5.820 1.00 0.71 H new ATOM 0 HD11 LEU A 7 -7.487 13.004 -6.082 1.00 0.84 H new ATOM 0 HD12 LEU A 7 -9.244 12.872 -5.833 1.00 0.84 H new ATOM 0 HD13 LEU A 7 -8.192 13.388 -4.494 1.00 0.84 H new ATOM 0 HD21 LEU A 7 -5.943 11.385 -5.060 1.00 1.10 H new ATOM 0 HD22 LEU A 7 -6.603 11.695 -3.436 1.00 1.10 H new ATOM 0 HD23 LEU A 7 -6.557 10.035 -4.076 1.00 1.10 H new ATOM 111 N SER A 8 -8.719 7.926 -4.253 1.00 0.60 N ATOM 112 CA SER A 8 -7.783 6.869 -4.600 1.00 0.65 C ATOM 113 C SER A 8 -8.256 5.879 -5.663 1.00 0.68 C ATOM 114 O SER A 8 -7.415 5.282 -6.316 1.00 0.69 O ATOM 115 CB SER A 8 -7.367 6.146 -3.323 1.00 0.76 C ATOM 116 OG SER A 8 -6.845 7.094 -2.416 1.00 1.18 O ATOM 0 H SER A 8 -8.741 8.099 -3.248 1.00 0.60 H new ATOM 0 HA SER A 8 -6.934 7.362 -5.074 1.00 0.65 H new ATOM 0 HB2 SER A 8 -8.222 5.633 -2.883 1.00 0.76 H new ATOM 0 HB3 SER A 8 -6.619 5.385 -3.546 1.00 0.76 H new ATOM 0 HG SER A 8 -6.575 6.642 -1.589 1.00 1.18 H new ATOM 122 N ALA A 9 -9.563 5.669 -5.840 1.00 0.73 N ATOM 123 CA ALA A 9 -10.100 4.884 -6.947 1.00 0.79 C ATOM 124 C ALA A 9 -9.495 5.290 -8.300 1.00 0.72 C ATOM 125 O ALA A 9 -9.085 4.435 -9.088 1.00 0.77 O ATOM 126 CB ALA A 9 -11.617 5.045 -6.981 1.00 0.88 C ATOM 0 H ALA A 9 -10.278 6.041 -5.216 1.00 0.73 H new ATOM 0 HA ALA A 9 -9.833 3.840 -6.781 1.00 0.79 H new ATOM 0 HB1 ALA A 9 -12.026 4.461 -7.806 1.00 0.88 H new ATOM 0 HB2 ALA A 9 -12.041 4.692 -6.041 1.00 0.88 H new ATOM 0 HB3 ALA A 9 -11.868 6.096 -7.121 1.00 0.88 H new ATOM 132 N ASP A 10 -9.439 6.593 -8.580 1.00 0.64 N ATOM 133 CA ASP A 10 -8.879 7.075 -9.837 1.00 0.60 C ATOM 134 C ASP A 10 -7.387 6.733 -9.903 1.00 0.60 C ATOM 135 O ASP A 10 -6.858 6.272 -10.916 1.00 0.63 O ATOM 136 CB ASP A 10 -9.123 8.583 -9.951 1.00 0.59 C ATOM 137 CG ASP A 10 -8.756 9.089 -11.338 1.00 0.62 C ATOM 138 OD1 ASP A 10 -9.594 8.899 -12.244 1.00 1.75 O ATOM 139 OD2 ASP A 10 -7.657 9.670 -11.466 1.00 1.69 O ATOM 0 H ASP A 10 -9.773 7.327 -7.956 1.00 0.64 H new ATOM 0 HA ASP A 10 -9.367 6.587 -10.681 1.00 0.60 H new ATOM 0 HB2 ASP A 10 -10.171 8.803 -9.745 1.00 0.59 H new ATOM 0 HB3 ASP A 10 -8.533 9.109 -9.200 1.00 0.59 H new ATOM 144 N ASP A 11 -6.710 6.910 -8.772 1.00 0.61 N ATOM 145 CA ASP A 11 -5.274 6.794 -8.656 1.00 0.65 C ATOM 146 C ASP A 11 -4.866 5.330 -8.840 1.00 0.65 C ATOM 147 O ASP A 11 -3.943 5.014 -9.591 1.00 0.67 O ATOM 148 CB ASP A 11 -4.842 7.352 -7.296 1.00 0.71 C ATOM 149 CG ASP A 11 -5.358 8.757 -7.018 1.00 1.33 C ATOM 150 OD1 ASP A 11 -6.587 8.865 -6.811 1.00 2.15 O ATOM 151 OD2 ASP A 11 -4.525 9.689 -6.980 1.00 2.39 O ATOM 0 H ASP A 11 -7.166 7.145 -7.890 1.00 0.61 H new ATOM 0 HA ASP A 11 -4.772 7.372 -9.432 1.00 0.65 H new ATOM 0 HB2 ASP A 11 -5.194 6.683 -6.511 1.00 0.71 H new ATOM 0 HB3 ASP A 11 -3.753 7.358 -7.245 1.00 0.71 H new ATOM 156 N ILE A 12 -5.576 4.406 -8.188 1.00 0.69 N ATOM 157 CA ILE A 12 -5.337 2.994 -8.364 1.00 0.76 C ATOM 158 C ILE A 12 -5.566 2.575 -9.814 1.00 0.78 C ATOM 159 O ILE A 12 -4.808 1.757 -10.325 1.00 0.81 O ATOM 160 CB ILE A 12 -6.109 2.136 -7.361 1.00 0.84 C ATOM 161 CG1 ILE A 12 -7.632 2.168 -7.520 1.00 0.85 C ATOM 162 CG2 ILE A 12 -5.638 2.407 -5.926 1.00 0.87 C ATOM 163 CD1 ILE A 12 -8.376 1.236 -6.560 1.00 1.00 C ATOM 0 H ILE A 12 -6.325 4.625 -7.531 1.00 0.69 H new ATOM 0 HA ILE A 12 -4.285 2.811 -8.144 1.00 0.76 H new ATOM 0 HB ILE A 12 -5.860 1.102 -7.600 1.00 0.84 H new ATOM 0 HG12 ILE A 12 -7.982 3.188 -7.365 1.00 0.85 H new ATOM 0 HG13 ILE A 12 -7.886 1.896 -8.545 1.00 0.85 H new ATOM 0 HG21 ILE A 12 -6.204 1.784 -5.234 1.00 0.87 H new ATOM 0 HG22 ILE A 12 -4.577 2.173 -5.841 1.00 0.87 H new ATOM 0 HG23 ILE A 12 -5.798 3.457 -5.683 1.00 0.87 H new ATOM 0 HD11 ILE A 12 -9.449 1.315 -6.734 1.00 1.00 H new ATOM 0 HD12 ILE A 12 -8.056 0.208 -6.730 1.00 1.00 H new ATOM 0 HD13 ILE A 12 -8.153 1.520 -5.531 1.00 1.00 H new ATOM 175 N ALA A 13 -6.567 3.143 -10.496 1.00 0.78 N ATOM 176 CA ALA A 13 -6.754 2.893 -11.921 1.00 0.84 C ATOM 177 C ALA A 13 -5.480 3.242 -12.703 1.00 0.83 C ATOM 178 O ALA A 13 -5.044 2.462 -13.552 1.00 0.88 O ATOM 179 CB ALA A 13 -7.983 3.630 -12.460 1.00 0.87 C ATOM 0 H ALA A 13 -7.254 3.774 -10.083 1.00 0.78 H new ATOM 0 HA ALA A 13 -6.942 1.828 -12.061 1.00 0.84 H new ATOM 0 HB1 ALA A 13 -8.094 3.423 -13.524 1.00 0.87 H new ATOM 0 HB2 ALA A 13 -8.873 3.290 -11.930 1.00 0.87 H new ATOM 0 HB3 ALA A 13 -7.859 4.703 -12.310 1.00 0.87 H new ATOM 185 N ALA A 14 -4.848 4.381 -12.397 1.00 0.77 N ATOM 186 CA ALA A 14 -3.550 4.717 -12.978 1.00 0.77 C ATOM 187 C ALA A 14 -2.506 3.653 -12.614 1.00 0.77 C ATOM 188 O ALA A 14 -1.943 3.013 -13.507 1.00 0.78 O ATOM 189 CB ALA A 14 -3.107 6.124 -12.565 1.00 0.75 C ATOM 0 H ALA A 14 -5.215 5.081 -11.752 1.00 0.77 H new ATOM 0 HA ALA A 14 -3.648 4.723 -14.064 1.00 0.77 H new ATOM 0 HB1 ALA A 14 -2.138 6.346 -13.012 1.00 0.75 H new ATOM 0 HB2 ALA A 14 -3.841 6.852 -12.909 1.00 0.75 H new ATOM 0 HB3 ALA A 14 -3.026 6.176 -11.479 1.00 0.75 H new ATOM 195 N ALA A 15 -2.301 3.415 -11.311 1.00 0.73 N ATOM 196 CA ALA A 15 -1.343 2.446 -10.779 1.00 0.70 C ATOM 197 C ALA A 15 -1.460 1.097 -11.499 1.00 0.77 C ATOM 198 O ALA A 15 -0.473 0.455 -11.859 1.00 0.77 O ATOM 199 CB ALA A 15 -1.555 2.274 -9.270 1.00 0.67 C ATOM 0 H ALA A 15 -2.814 3.908 -10.580 1.00 0.73 H new ATOM 0 HA ALA A 15 -0.337 2.827 -10.954 1.00 0.70 H new ATOM 0 HB1 ALA A 15 -0.838 1.551 -8.882 1.00 0.67 H new ATOM 0 HB2 ALA A 15 -1.411 3.232 -8.771 1.00 0.67 H new ATOM 0 HB3 ALA A 15 -2.568 1.917 -9.083 1.00 0.67 H new ATOM 205 N LEU A 16 -2.706 0.678 -11.703 1.00 0.84 N ATOM 206 CA LEU A 16 -3.097 -0.577 -12.313 1.00 0.86 C ATOM 207 C LEU A 16 -2.549 -0.686 -13.734 1.00 0.85 C ATOM 208 O LEU A 16 -2.170 -1.776 -14.157 1.00 0.83 O ATOM 209 CB LEU A 16 -4.631 -0.732 -12.226 1.00 0.85 C ATOM 210 CG LEU A 16 -5.282 -1.691 -13.241 1.00 1.52 C ATOM 211 CD1 LEU A 16 -6.490 -2.397 -12.617 1.00 1.69 C ATOM 212 CD2 LEU A 16 -5.779 -0.911 -14.468 1.00 3.30 C ATOM 0 H LEU A 16 -3.511 1.242 -11.429 1.00 0.84 H new ATOM 0 HA LEU A 16 -2.658 -1.412 -11.767 1.00 0.86 H new ATOM 0 HB2 LEU A 16 -4.883 -1.074 -11.222 1.00 0.85 H new ATOM 0 HB3 LEU A 16 -5.081 0.253 -12.349 1.00 0.85 H new ATOM 0 HG LEU A 16 -4.529 -2.422 -13.533 1.00 1.52 H new ATOM 0 HD11 LEU A 16 -6.936 -3.070 -13.349 1.00 1.69 H new ATOM 0 HD12 LEU A 16 -6.168 -2.969 -11.747 1.00 1.69 H new ATOM 0 HD13 LEU A 16 -7.227 -1.655 -12.310 1.00 1.69 H new ATOM 0 HD21 LEU A 16 -6.237 -1.601 -15.177 1.00 3.30 H new ATOM 0 HD22 LEU A 16 -6.515 -0.171 -14.155 1.00 3.30 H new ATOM 0 HD23 LEU A 16 -4.938 -0.407 -14.944 1.00 3.30 H new ATOM 224 N GLN A 17 -2.515 0.424 -14.472 1.00 0.89 N ATOM 225 CA GLN A 17 -2.115 0.429 -15.869 1.00 0.87 C ATOM 226 C GLN A 17 -0.621 0.682 -15.981 1.00 0.90 C ATOM 227 O GLN A 17 0.061 0.030 -16.767 1.00 0.93 O ATOM 228 CB GLN A 17 -2.958 1.440 -16.662 1.00 0.83 C ATOM 229 CG GLN A 17 -3.923 0.684 -17.585 1.00 1.21 C ATOM 230 CD GLN A 17 -5.020 1.585 -18.139 1.00 1.70 C ATOM 231 OE1 GLN A 17 -4.747 2.650 -18.681 1.00 2.22 O ATOM 232 NE2 GLN A 17 -6.276 1.159 -18.022 1.00 2.79 N ATOM 0 H GLN A 17 -2.766 1.345 -14.112 1.00 0.89 H new ATOM 0 HA GLN A 17 -2.305 -0.549 -16.312 1.00 0.87 H new ATOM 0 HB2 GLN A 17 -3.517 2.080 -15.979 1.00 0.83 H new ATOM 0 HB3 GLN A 17 -2.309 2.090 -17.249 1.00 0.83 H new ATOM 0 HG2 GLN A 17 -3.363 0.247 -18.412 1.00 1.21 H new ATOM 0 HG3 GLN A 17 -4.377 -0.141 -17.035 1.00 1.21 H new ATOM 0 HE21 GLN A 17 -6.472 0.268 -17.566 1.00 2.79 H new ATOM 0 HE22 GLN A 17 -7.042 1.724 -18.389 1.00 2.79 H new ATOM 241 N GLU A 18 -0.106 1.627 -15.199 1.00 0.90 N ATOM 242 CA GLU A 18 1.291 1.995 -15.283 1.00 0.95 C ATOM 243 C GLU A 18 2.189 0.868 -14.753 1.00 0.96 C ATOM 244 O GLU A 18 3.277 0.652 -15.285 1.00 1.05 O ATOM 245 CB GLU A 18 1.483 3.365 -14.628 1.00 1.01 C ATOM 246 CG GLU A 18 1.495 3.347 -13.106 1.00 0.95 C ATOM 247 CD GLU A 18 1.484 4.773 -12.588 1.00 2.12 C ATOM 248 OE1 GLU A 18 2.556 5.402 -12.729 1.00 2.80 O ATOM 249 OE2 GLU A 18 0.431 5.227 -12.090 1.00 3.54 O ATOM 0 H GLU A 18 -0.640 2.147 -14.503 1.00 0.90 H new ATOM 0 HA GLU A 18 1.609 2.111 -16.319 1.00 0.95 H new ATOM 0 HB2 GLU A 18 2.422 3.792 -14.980 1.00 1.01 H new ATOM 0 HB3 GLU A 18 0.685 4.028 -14.964 1.00 1.01 H new ATOM 0 HG2 GLU A 18 0.627 2.805 -12.730 1.00 0.95 H new ATOM 0 HG3 GLU A 18 2.380 2.823 -12.744 1.00 0.95 H new ATOM 256 N CYS A 19 1.719 0.111 -13.753 1.00 0.93 N ATOM 257 CA CYS A 19 2.417 -1.055 -13.215 1.00 0.99 C ATOM 258 C CYS A 19 1.656 -2.316 -13.633 1.00 0.99 C ATOM 259 O CYS A 19 1.225 -3.091 -12.782 1.00 1.00 O ATOM 260 CB CYS A 19 2.519 -0.955 -11.682 1.00 1.05 C ATOM 261 SG CYS A 19 3.340 0.573 -11.159 1.00 1.60 S ATOM 0 H CYS A 19 0.829 0.298 -13.291 1.00 0.93 H new ATOM 0 HA CYS A 19 3.432 -1.099 -13.611 1.00 0.99 H new ATOM 0 HB2 CYS A 19 1.520 -0.997 -11.248 1.00 1.05 H new ATOM 0 HB3 CYS A 19 3.070 -1.813 -11.298 1.00 1.05 H new ATOM 0 HG CYS A 19 4.625 0.450 -11.313 1.00 1.60 H new ATOM 267 N ARG A 20 1.439 -2.507 -14.940 1.00 1.06 N ATOM 268 CA ARG A 20 0.519 -3.524 -15.449 1.00 0.97 C ATOM 269 C ARG A 20 1.115 -4.911 -15.250 1.00 0.59 C ATOM 270 O ARG A 20 0.481 -5.813 -14.704 1.00 0.68 O ATOM 271 CB ARG A 20 0.227 -3.288 -16.944 1.00 1.39 C ATOM 272 CG ARG A 20 -1.272 -3.316 -17.263 1.00 1.48 C ATOM 273 CD ARG A 20 -1.896 -4.705 -17.110 1.00 2.09 C ATOM 274 NE ARG A 20 -1.376 -5.644 -18.117 1.00 3.06 N ATOM 275 CZ ARG A 20 -1.769 -6.920 -18.241 1.00 4.29 C ATOM 276 NH1 ARG A 20 -2.636 -7.431 -17.359 1.00 5.23 N ATOM 277 NH2 ARG A 20 -1.311 -7.670 -19.249 1.00 5.15 N ATOM 0 H ARG A 20 1.896 -1.961 -15.670 1.00 1.06 H new ATOM 0 HA ARG A 20 -0.417 -3.454 -14.895 1.00 0.97 H new ATOM 0 HB2 ARG A 20 0.641 -2.325 -17.244 1.00 1.39 H new ATOM 0 HB3 ARG A 20 0.735 -4.051 -17.534 1.00 1.39 H new ATOM 0 HG2 ARG A 20 -1.790 -2.618 -16.605 1.00 1.48 H new ATOM 0 HG3 ARG A 20 -1.426 -2.966 -18.284 1.00 1.48 H new ATOM 0 HD2 ARG A 20 -1.689 -5.090 -16.111 1.00 2.09 H new ATOM 0 HD3 ARG A 20 -2.979 -4.631 -17.205 1.00 2.09 H new ATOM 0 HE ARG A 20 -0.668 -5.300 -18.765 1.00 3.06 H new ATOM 0 HH11 ARG A 20 -2.993 -6.851 -16.600 1.00 5.23 H new ATOM 0 HH12 ARG A 20 -2.940 -8.401 -17.446 1.00 5.23 H new ATOM 0 HH21 ARG A 20 -0.661 -7.272 -19.926 1.00 5.15 H new ATOM 0 HH22 ARG A 20 -1.612 -8.640 -19.340 1.00 5.15 H new ATOM 291 N ASP A 21 2.334 -5.059 -15.756 1.00 0.75 N ATOM 292 CA ASP A 21 3.125 -6.262 -15.635 1.00 0.92 C ATOM 293 C ASP A 21 3.545 -6.394 -14.169 1.00 0.83 C ATOM 294 O ASP A 21 3.860 -5.378 -13.549 1.00 0.59 O ATOM 295 CB ASP A 21 4.320 -6.137 -16.590 1.00 1.38 C ATOM 296 CG ASP A 21 4.076 -6.744 -17.970 1.00 2.30 C ATOM 297 OD1 ASP A 21 2.907 -7.079 -18.271 1.00 3.05 O ATOM 298 OD2 ASP A 21 5.070 -6.846 -18.718 1.00 3.18 O ATOM 0 H ASP A 21 2.806 -4.319 -16.276 1.00 0.75 H new ATOM 0 HA ASP A 21 2.575 -7.162 -15.909 1.00 0.92 H new ATOM 0 HB2 ASP A 21 4.570 -5.083 -16.707 1.00 1.38 H new ATOM 0 HB3 ASP A 21 5.186 -6.622 -16.139 1.00 1.38 H new ATOM 303 N PRO A 22 3.538 -7.614 -13.608 1.00 1.40 N ATOM 304 CA PRO A 22 3.588 -7.860 -12.173 1.00 1.85 C ATOM 305 C PRO A 22 4.727 -7.114 -11.506 1.00 2.17 C ATOM 306 O PRO A 22 4.506 -6.149 -10.784 1.00 4.12 O ATOM 307 CB PRO A 22 3.659 -9.385 -12.010 1.00 2.36 C ATOM 308 CG PRO A 22 4.125 -9.894 -13.374 1.00 2.40 C ATOM 309 CD PRO A 22 3.542 -8.867 -14.342 1.00 1.83 C ATOM 0 HA PRO A 22 2.704 -7.475 -11.665 1.00 1.85 H new ATOM 0 HB2 PRO A 22 4.356 -9.668 -11.221 1.00 2.36 H new ATOM 0 HB3 PRO A 22 2.688 -9.801 -11.741 1.00 2.36 H new ATOM 0 HG2 PRO A 22 5.212 -9.938 -13.439 1.00 2.40 H new ATOM 0 HG3 PRO A 22 3.753 -10.898 -13.579 1.00 2.40 H new ATOM 0 HD2 PRO A 22 4.145 -8.792 -15.247 1.00 1.83 H new ATOM 0 HD3 PRO A 22 2.535 -9.145 -14.652 1.00 1.83 H new ATOM 317 N ASP A 23 5.959 -7.530 -11.745 1.00 0.53 N ATOM 318 CA ASP A 23 7.116 -6.887 -11.160 1.00 0.59 C ATOM 319 C ASP A 23 7.476 -5.562 -11.863 1.00 0.60 C ATOM 320 O ASP A 23 8.641 -5.315 -12.159 1.00 1.03 O ATOM 321 CB ASP A 23 8.283 -7.891 -11.127 1.00 0.79 C ATOM 322 CG ASP A 23 8.603 -8.492 -12.493 1.00 2.05 C ATOM 323 OD1 ASP A 23 7.647 -9.039 -13.092 1.00 3.07 O ATOM 324 OD2 ASP A 23 9.788 -8.454 -12.879 1.00 3.32 O ATOM 0 H ASP A 23 6.182 -8.321 -12.349 1.00 0.53 H new ATOM 0 HA ASP A 23 6.882 -6.597 -10.136 1.00 0.59 H new ATOM 0 HB2 ASP A 23 9.172 -7.392 -10.741 1.00 0.79 H new ATOM 0 HB3 ASP A 23 8.042 -8.695 -10.432 1.00 0.79 H new ATOM 329 N THR A 24 6.494 -4.669 -12.067 1.00 0.51 N ATOM 330 CA THR A 24 6.698 -3.325 -12.622 1.00 0.57 C ATOM 331 C THR A 24 6.187 -2.266 -11.641 1.00 0.79 C ATOM 332 O THR A 24 5.778 -1.179 -12.043 1.00 1.42 O ATOM 333 CB THR A 24 6.009 -3.206 -13.995 1.00 0.64 C ATOM 334 OG1 THR A 24 6.187 -4.405 -14.709 1.00 0.63 O ATOM 335 CG2 THR A 24 6.559 -2.067 -14.861 1.00 0.94 C ATOM 0 H THR A 24 5.518 -4.867 -11.846 1.00 0.51 H new ATOM 0 HA THR A 24 7.764 -3.155 -12.770 1.00 0.57 H new ATOM 0 HB THR A 24 4.959 -2.996 -13.791 1.00 0.64 H new ATOM 0 HG1 THR A 24 5.544 -5.073 -14.392 1.00 0.63 H new ATOM 0 HG21 THR A 24 6.027 -2.044 -15.812 1.00 0.94 H new ATOM 0 HG22 THR A 24 6.420 -1.117 -14.344 1.00 0.94 H new ATOM 0 HG23 THR A 24 7.621 -2.229 -15.043 1.00 0.94 H new ATOM 343 N PHE A 25 6.200 -2.583 -10.345 1.00 0.70 N ATOM 344 CA PHE A 25 5.752 -1.708 -9.275 1.00 0.81 C ATOM 345 C PHE A 25 6.964 -1.240 -8.489 1.00 0.82 C ATOM 346 O PHE A 25 7.814 -2.055 -8.136 1.00 1.31 O ATOM 347 CB PHE A 25 4.788 -2.484 -8.382 1.00 0.96 C ATOM 348 CG PHE A 25 4.324 -1.809 -7.105 1.00 1.44 C ATOM 349 CD1 PHE A 25 5.184 -1.758 -5.990 1.00 3.43 C ATOM 350 CD2 PHE A 25 2.967 -1.470 -6.948 1.00 1.72 C ATOM 351 CE1 PHE A 25 4.714 -1.296 -4.752 1.00 4.30 C ATOM 352 CE2 PHE A 25 2.481 -1.080 -5.690 1.00 2.08 C ATOM 353 CZ PHE A 25 3.360 -0.957 -4.602 1.00 3.18 C ATOM 0 H PHE A 25 6.534 -3.485 -10.007 1.00 0.70 H new ATOM 0 HA PHE A 25 5.235 -0.835 -9.674 1.00 0.81 H new ATOM 0 HB2 PHE A 25 3.906 -2.730 -8.973 1.00 0.96 H new ATOM 0 HB3 PHE A 25 5.264 -3.427 -8.111 1.00 0.96 H new ATOM 0 HD1 PHE A 25 6.211 -2.077 -6.089 1.00 3.43 H new ATOM 0 HD2 PHE A 25 2.299 -1.510 -7.796 1.00 1.72 H new ATOM 0 HE1 PHE A 25 5.392 -1.201 -3.916 1.00 4.30 H new ATOM 0 HE2 PHE A 25 1.429 -0.874 -5.559 1.00 2.08 H new ATOM 0 HZ PHE A 25 2.994 -0.602 -3.650 1.00 3.18 H new ATOM 363 N GLU A 26 6.990 0.056 -8.176 1.00 0.63 N ATOM 364 CA GLU A 26 7.934 0.663 -7.257 1.00 0.57 C ATOM 365 C GLU A 26 7.130 1.339 -6.143 1.00 0.55 C ATOM 366 O GLU A 26 6.065 1.892 -6.417 1.00 0.63 O ATOM 367 CB GLU A 26 8.815 1.667 -8.017 1.00 0.59 C ATOM 368 CG GLU A 26 10.119 1.005 -8.477 1.00 0.61 C ATOM 369 CD GLU A 26 11.069 0.823 -7.300 1.00 2.29 C ATOM 370 OE1 GLU A 26 11.531 1.867 -6.791 1.00 3.00 O ATOM 371 OE2 GLU A 26 11.248 -0.338 -6.878 1.00 3.82 O ATOM 0 H GLU A 26 6.331 0.727 -8.571 1.00 0.63 H new ATOM 0 HA GLU A 26 8.597 -0.081 -6.816 1.00 0.57 H new ATOM 0 HB2 GLU A 26 8.273 2.053 -8.880 1.00 0.59 H new ATOM 0 HB3 GLU A 26 9.041 2.519 -7.375 1.00 0.59 H new ATOM 0 HG2 GLU A 26 9.902 0.038 -8.930 1.00 0.61 H new ATOM 0 HG3 GLU A 26 10.594 1.617 -9.244 1.00 0.61 H new ATOM 378 N PRO A 27 7.609 1.301 -4.893 1.00 0.51 N ATOM 379 CA PRO A 27 6.908 1.851 -3.747 1.00 0.54 C ATOM 380 C PRO A 27 6.768 3.369 -3.858 1.00 0.48 C ATOM 381 O PRO A 27 5.653 3.878 -3.878 1.00 0.54 O ATOM 382 CB PRO A 27 7.706 1.417 -2.517 1.00 0.69 C ATOM 383 CG PRO A 27 9.077 1.001 -3.049 1.00 0.77 C ATOM 384 CD PRO A 27 8.847 0.654 -4.507 1.00 0.60 C ATOM 0 HA PRO A 27 5.885 1.481 -3.682 1.00 0.54 H new ATOM 0 HB2 PRO A 27 7.794 2.232 -1.798 1.00 0.69 H new ATOM 0 HB3 PRO A 27 7.217 0.590 -2.003 1.00 0.69 H new ATOM 0 HG2 PRO A 27 9.802 1.809 -2.946 1.00 0.77 H new ATOM 0 HG3 PRO A 27 9.471 0.147 -2.498 1.00 0.77 H new ATOM 0 HD2 PRO A 27 9.675 1.002 -5.124 1.00 0.60 H new ATOM 0 HD3 PRO A 27 8.780 -0.425 -4.643 1.00 0.60 H new ATOM 392 N GLN A 28 7.889 4.094 -3.952 1.00 0.47 N ATOM 393 CA GLN A 28 7.896 5.553 -4.046 1.00 0.52 C ATOM 394 C GLN A 28 6.979 6.030 -5.176 1.00 0.56 C ATOM 395 O GLN A 28 6.100 6.867 -4.967 1.00 0.64 O ATOM 396 CB GLN A 28 9.335 6.052 -4.219 1.00 0.56 C ATOM 397 CG GLN A 28 10.124 5.868 -2.915 1.00 0.88 C ATOM 398 CD GLN A 28 11.606 6.170 -3.104 1.00 1.20 C ATOM 399 OE1 GLN A 28 12.114 7.177 -2.625 1.00 1.96 O ATOM 400 NE2 GLN A 28 12.323 5.295 -3.804 1.00 2.54 N ATOM 0 H GLN A 28 8.821 3.679 -3.965 1.00 0.47 H new ATOM 0 HA GLN A 28 7.502 5.977 -3.122 1.00 0.52 H new ATOM 0 HB2 GLN A 28 9.822 5.505 -5.027 1.00 0.56 H new ATOM 0 HB3 GLN A 28 9.330 7.104 -4.504 1.00 0.56 H new ATOM 0 HG2 GLN A 28 9.714 6.524 -2.147 1.00 0.88 H new ATOM 0 HG3 GLN A 28 10.004 4.845 -2.558 1.00 0.88 H new ATOM 0 HE21 GLN A 28 11.876 4.464 -4.192 1.00 2.54 H new ATOM 0 HE22 GLN A 28 13.319 5.455 -3.952 1.00 2.54 H new ATOM 409 N LYS A 29 7.169 5.443 -6.362 1.00 0.57 N ATOM 410 CA LYS A 29 6.282 5.594 -7.507 1.00 0.59 C ATOM 411 C LYS A 29 4.832 5.440 -7.034 1.00 0.64 C ATOM 412 O LYS A 29 4.054 6.392 -7.082 1.00 0.73 O ATOM 413 CB LYS A 29 6.676 4.534 -8.553 1.00 0.59 C ATOM 414 CG LYS A 29 5.923 4.573 -9.893 1.00 0.61 C ATOM 415 CD LYS A 29 6.561 5.584 -10.860 1.00 1.34 C ATOM 416 CE LYS A 29 6.130 5.357 -12.319 1.00 1.93 C ATOM 417 NZ LYS A 29 4.937 6.138 -12.700 1.00 2.86 N ATOM 0 H LYS A 29 7.966 4.835 -6.551 1.00 0.57 H new ATOM 0 HA LYS A 29 6.371 6.579 -7.966 1.00 0.59 H new ATOM 0 HB2 LYS A 29 7.741 4.638 -8.758 1.00 0.59 H new ATOM 0 HB3 LYS A 29 6.531 3.549 -8.110 1.00 0.59 H new ATOM 0 HG2 LYS A 29 5.928 3.581 -10.345 1.00 0.61 H new ATOM 0 HG3 LYS A 29 4.880 4.840 -9.720 1.00 0.61 H new ATOM 0 HD2 LYS A 29 6.287 6.594 -10.557 1.00 1.34 H new ATOM 0 HD3 LYS A 29 7.646 5.513 -10.790 1.00 1.34 H new ATOM 0 HE2 LYS A 29 6.955 5.620 -12.980 1.00 1.93 H new ATOM 0 HE3 LYS A 29 5.926 4.297 -12.470 1.00 1.93 H new ATOM 0 HZ1 LYS A 29 5.020 6.436 -13.693 1.00 2.86 H new ATOM 0 HZ2 LYS A 29 4.086 5.551 -12.584 1.00 2.86 H new ATOM 0 HZ3 LYS A 29 4.863 6.978 -12.092 1.00 2.86 H new ATOM 431 N PHE A 30 4.488 4.238 -6.563 1.00 0.62 N ATOM 432 CA PHE A 30 3.153 3.868 -6.126 1.00 0.64 C ATOM 433 C PHE A 30 2.553 4.868 -5.135 1.00 0.64 C ATOM 434 O PHE A 30 1.388 5.214 -5.278 1.00 0.60 O ATOM 435 CB PHE A 30 3.159 2.443 -5.560 1.00 0.68 C ATOM 436 CG PHE A 30 1.874 2.063 -4.857 1.00 0.98 C ATOM 437 CD1 PHE A 30 0.721 1.757 -5.601 1.00 1.67 C ATOM 438 CD2 PHE A 30 1.815 2.096 -3.453 1.00 2.62 C ATOM 439 CE1 PHE A 30 -0.476 1.431 -4.940 1.00 1.74 C ATOM 440 CE2 PHE A 30 0.612 1.806 -2.793 1.00 2.91 C ATOM 441 CZ PHE A 30 -0.531 1.462 -3.534 1.00 1.68 C ATOM 0 H PHE A 30 5.159 3.475 -6.475 1.00 0.62 H new ATOM 0 HA PHE A 30 2.504 3.894 -7.001 1.00 0.64 H new ATOM 0 HB2 PHE A 30 3.340 1.739 -6.373 1.00 0.68 H new ATOM 0 HB3 PHE A 30 3.989 2.343 -4.861 1.00 0.68 H new ATOM 0 HD1 PHE A 30 0.755 1.772 -6.680 1.00 1.67 H new ATOM 0 HD2 PHE A 30 2.697 2.345 -2.882 1.00 2.62 H new ATOM 0 HE1 PHE A 30 -1.352 1.157 -5.510 1.00 1.74 H new ATOM 0 HE2 PHE A 30 0.564 1.847 -1.715 1.00 2.91 H new ATOM 0 HZ PHE A 30 -1.452 1.221 -3.024 1.00 1.68 H new ATOM 451 N PHE A 31 3.295 5.342 -4.133 1.00 0.73 N ATOM 452 CA PHE A 31 2.743 6.267 -3.147 1.00 0.71 C ATOM 453 C PHE A 31 2.167 7.507 -3.823 1.00 0.66 C ATOM 454 O PHE A 31 1.057 7.936 -3.506 1.00 0.69 O ATOM 455 CB PHE A 31 3.806 6.681 -2.127 1.00 1.00 C ATOM 456 CG PHE A 31 4.546 5.545 -1.453 1.00 1.32 C ATOM 457 CD1 PHE A 31 3.889 4.354 -1.087 1.00 2.99 C ATOM 458 CD2 PHE A 31 5.894 5.725 -1.111 1.00 2.46 C ATOM 459 CE1 PHE A 31 4.603 3.326 -0.448 1.00 4.40 C ATOM 460 CE2 PHE A 31 6.627 4.666 -0.558 1.00 3.92 C ATOM 461 CZ PHE A 31 5.979 3.472 -0.205 1.00 4.61 C ATOM 0 H PHE A 31 4.275 5.101 -3.985 1.00 0.73 H new ATOM 0 HA PHE A 31 1.940 5.747 -2.625 1.00 0.71 H new ATOM 0 HB2 PHE A 31 4.535 7.319 -2.627 1.00 1.00 H new ATOM 0 HB3 PHE A 31 3.328 7.287 -1.357 1.00 1.00 H new ATOM 0 HD1 PHE A 31 2.837 4.231 -1.297 1.00 2.99 H new ATOM 0 HD2 PHE A 31 6.368 6.681 -1.274 1.00 2.46 H new ATOM 0 HE1 PHE A 31 4.094 2.424 -0.144 1.00 4.40 H new ATOM 0 HE2 PHE A 31 7.691 4.769 -0.403 1.00 3.92 H new ATOM 0 HZ PHE A 31 6.537 2.668 0.252 1.00 4.61 H new ATOM 471 N GLN A 32 2.922 8.086 -4.758 1.00 0.66 N ATOM 472 CA GLN A 32 2.453 9.246 -5.494 1.00 0.66 C ATOM 473 C GLN A 32 1.330 8.826 -6.446 1.00 0.57 C ATOM 474 O GLN A 32 0.277 9.455 -6.485 1.00 0.64 O ATOM 475 CB GLN A 32 3.639 9.935 -6.184 1.00 0.77 C ATOM 476 CG GLN A 32 3.323 11.404 -6.505 1.00 1.68 C ATOM 477 CD GLN A 32 4.564 12.203 -6.896 1.00 1.69 C ATOM 478 OE1 GLN A 32 4.754 13.327 -6.443 1.00 2.89 O ATOM 479 NE2 GLN A 32 5.422 11.645 -7.746 1.00 1.58 N ATOM 0 H GLN A 32 3.856 7.768 -5.018 1.00 0.66 H new ATOM 0 HA GLN A 32 2.022 9.989 -4.823 1.00 0.66 H new ATOM 0 HB2 GLN A 32 4.517 9.882 -5.541 1.00 0.77 H new ATOM 0 HB3 GLN A 32 3.885 9.405 -7.104 1.00 0.77 H new ATOM 0 HG2 GLN A 32 2.598 11.446 -7.318 1.00 1.68 H new ATOM 0 HG3 GLN A 32 2.856 11.869 -5.637 1.00 1.68 H new ATOM 0 HE21 GLN A 32 5.244 10.709 -8.110 1.00 1.58 H new ATOM 0 HE22 GLN A 32 6.258 12.153 -8.034 1.00 1.58 H new ATOM 488 N THR A 33 1.531 7.732 -7.182 1.00 0.49 N ATOM 489 CA THR A 33 0.637 7.258 -8.218 1.00 0.45 C ATOM 490 C THR A 33 -0.729 6.854 -7.689 1.00 0.49 C ATOM 491 O THR A 33 -1.724 6.997 -8.388 1.00 0.65 O ATOM 492 CB THR A 33 1.344 6.110 -8.950 1.00 0.52 C ATOM 493 OG1 THR A 33 1.641 6.605 -10.212 1.00 0.89 O ATOM 494 CG2 THR A 33 0.565 4.804 -9.084 1.00 0.44 C ATOM 0 H THR A 33 2.351 7.137 -7.063 1.00 0.49 H new ATOM 0 HA THR A 33 0.425 8.071 -8.912 1.00 0.45 H new ATOM 0 HB THR A 33 2.211 5.824 -8.354 1.00 0.52 H new ATOM 0 HG1 THR A 33 0.920 6.372 -10.833 1.00 0.89 H new ATOM 0 HG21 THR A 33 1.171 4.072 -9.619 1.00 0.44 H new ATOM 0 HG22 THR A 33 0.324 4.421 -8.092 1.00 0.44 H new ATOM 0 HG23 THR A 33 -0.357 4.985 -9.636 1.00 0.44 H new ATOM 502 N SER A 34 -0.757 6.326 -6.468 1.00 0.45 N ATOM 503 CA SER A 34 -1.951 5.897 -5.768 1.00 0.60 C ATOM 504 C SER A 34 -2.580 7.094 -5.036 1.00 0.76 C ATOM 505 O SER A 34 -3.574 6.947 -4.326 1.00 1.14 O ATOM 506 CB SER A 34 -1.548 4.774 -4.804 1.00 0.65 C ATOM 507 OG SER A 34 -2.664 4.062 -4.306 1.00 1.44 O ATOM 0 H SER A 34 0.092 6.182 -5.921 1.00 0.45 H new ATOM 0 HA SER A 34 -2.704 5.517 -6.458 1.00 0.60 H new ATOM 0 HB2 SER A 34 -0.879 4.083 -5.316 1.00 0.65 H new ATOM 0 HB3 SER A 34 -0.990 5.199 -3.969 1.00 0.65 H new ATOM 0 HG SER A 34 -2.373 3.187 -3.976 1.00 1.44 H new ATOM 513 N GLY A 35 -1.954 8.276 -5.125 1.00 0.61 N ATOM 514 CA GLY A 35 -2.457 9.492 -4.488 1.00 0.72 C ATOM 515 C GLY A 35 -2.183 9.513 -2.982 1.00 0.59 C ATOM 516 O GLY A 35 -2.313 10.544 -2.324 1.00 0.56 O ATOM 0 H GLY A 35 -1.085 8.411 -5.642 1.00 0.61 H new ATOM 0 HA2 GLY A 35 -1.992 10.362 -4.952 1.00 0.72 H new ATOM 0 HA3 GLY A 35 -3.530 9.573 -4.661 1.00 0.72 H new ATOM 520 N LEU A 36 -1.772 8.373 -2.431 1.00 0.65 N ATOM 521 CA LEU A 36 -1.500 8.144 -1.031 1.00 0.67 C ATOM 522 C LEU A 36 -0.468 9.126 -0.465 1.00 0.67 C ATOM 523 O LEU A 36 -0.582 9.522 0.688 1.00 0.74 O ATOM 524 CB LEU A 36 -1.066 6.680 -0.893 1.00 0.75 C ATOM 525 CG LEU A 36 -2.242 5.684 -0.888 1.00 0.95 C ATOM 526 CD1 LEU A 36 -1.696 4.253 -0.946 1.00 1.38 C ATOM 527 CD2 LEU A 36 -3.109 5.808 0.374 1.00 1.25 C ATOM 0 H LEU A 36 -1.613 7.537 -2.994 1.00 0.65 H new ATOM 0 HA LEU A 36 -2.395 8.326 -0.436 1.00 0.67 H new ATOM 0 HB2 LEU A 36 -0.393 6.431 -1.714 1.00 0.75 H new ATOM 0 HB3 LEU A 36 -0.499 6.564 0.030 1.00 0.75 H new ATOM 0 HG LEU A 36 -2.859 5.914 -1.756 1.00 0.95 H new ATOM 0 HD11 LEU A 36 -2.526 3.546 -0.943 1.00 1.38 H new ATOM 0 HD12 LEU A 36 -1.112 4.123 -1.857 1.00 1.38 H new ATOM 0 HD13 LEU A 36 -1.061 4.071 -0.079 1.00 1.38 H new ATOM 0 HD21 LEU A 36 -3.923 5.085 0.328 1.00 1.25 H new ATOM 0 HD22 LEU A 36 -2.499 5.612 1.256 1.00 1.25 H new ATOM 0 HD23 LEU A 36 -3.521 6.815 0.435 1.00 1.25 H new ATOM 539 N SER A 37 0.518 9.552 -1.259 1.00 0.67 N ATOM 540 CA SER A 37 1.453 10.596 -0.837 1.00 0.78 C ATOM 541 C SER A 37 0.760 11.956 -0.739 1.00 0.77 C ATOM 542 O SER A 37 1.105 12.787 0.100 1.00 0.98 O ATOM 543 CB SER A 37 2.643 10.656 -1.803 1.00 0.95 C ATOM 544 OG SER A 37 3.556 11.667 -1.438 1.00 2.03 O ATOM 0 H SER A 37 0.689 9.190 -2.197 1.00 0.67 H new ATOM 0 HA SER A 37 1.821 10.346 0.158 1.00 0.78 H new ATOM 0 HB2 SER A 37 3.152 9.692 -1.815 1.00 0.95 H new ATOM 0 HB3 SER A 37 2.282 10.839 -2.815 1.00 0.95 H new ATOM 0 HG SER A 37 4.402 11.259 -1.159 1.00 2.03 H new ATOM 550 N LYS A 38 -0.230 12.199 -1.602 1.00 0.63 N ATOM 551 CA LYS A 38 -0.939 13.464 -1.607 1.00 0.68 C ATOM 552 C LYS A 38 -1.889 13.490 -0.424 1.00 0.62 C ATOM 553 O LYS A 38 -2.130 14.544 0.163 1.00 0.72 O ATOM 554 CB LYS A 38 -1.707 13.644 -2.921 1.00 0.77 C ATOM 555 CG LYS A 38 -1.661 15.115 -3.350 1.00 1.04 C ATOM 556 CD LYS A 38 -2.439 15.333 -4.655 1.00 2.12 C ATOM 557 CE LYS A 38 -3.172 16.680 -4.608 1.00 3.11 C ATOM 558 NZ LYS A 38 -3.919 16.950 -5.854 1.00 4.24 N ATOM 0 H LYS A 38 -0.552 11.532 -2.303 1.00 0.63 H new ATOM 0 HA LYS A 38 -0.228 14.286 -1.524 1.00 0.68 H new ATOM 0 HB2 LYS A 38 -1.271 13.015 -3.697 1.00 0.77 H new ATOM 0 HB3 LYS A 38 -2.741 13.324 -2.795 1.00 0.77 H new ATOM 0 HG2 LYS A 38 -2.082 15.740 -2.563 1.00 1.04 H new ATOM 0 HG3 LYS A 38 -0.625 15.426 -3.484 1.00 1.04 H new ATOM 0 HD2 LYS A 38 -1.756 15.311 -5.504 1.00 2.12 H new ATOM 0 HD3 LYS A 38 -3.155 14.524 -4.801 1.00 2.12 H new ATOM 0 HE2 LYS A 38 -3.861 16.688 -3.764 1.00 3.11 H new ATOM 0 HE3 LYS A 38 -2.450 17.479 -4.438 1.00 3.11 H new ATOM 0 HZ1 LYS A 38 -4.399 17.870 -5.779 1.00 4.24 H new ATOM 0 HZ2 LYS A 38 -3.259 16.969 -6.657 1.00 4.24 H new ATOM 0 HZ3 LYS A 38 -4.626 16.202 -6.004 1.00 4.24 H new ATOM 572 N MET A 39 -2.448 12.324 -0.091 1.00 0.52 N ATOM 573 CA MET A 39 -3.228 12.195 1.115 1.00 0.54 C ATOM 574 C MET A 39 -2.374 12.596 2.326 1.00 0.74 C ATOM 575 O MET A 39 -1.296 12.049 2.544 1.00 1.76 O ATOM 576 CB MET A 39 -3.740 10.760 1.259 1.00 0.48 C ATOM 577 CG MET A 39 -5.022 10.512 0.466 1.00 0.63 C ATOM 578 SD MET A 39 -5.736 8.870 0.734 1.00 2.04 S ATOM 579 CE MET A 39 -7.311 9.083 -0.118 1.00 2.78 C ATOM 0 H MET A 39 -2.369 11.470 -0.642 1.00 0.52 H new ATOM 0 HA MET A 39 -4.091 12.859 1.062 1.00 0.54 H new ATOM 0 HB2 MET A 39 -2.969 10.067 0.922 1.00 0.48 H new ATOM 0 HB3 MET A 39 -3.922 10.547 2.312 1.00 0.48 H new ATOM 0 HG2 MET A 39 -5.759 11.268 0.738 1.00 0.63 H new ATOM 0 HG3 MET A 39 -4.812 10.639 -0.596 1.00 0.63 H new ATOM 0 HE1 MET A 39 -7.887 8.160 -0.053 1.00 2.78 H new ATOM 0 HE2 MET A 39 -7.870 9.894 0.349 1.00 2.78 H new ATOM 0 HE3 MET A 39 -7.128 9.324 -1.165 1.00 2.78 H new ATOM 589 N SER A 40 -2.847 13.552 3.129 1.00 0.55 N ATOM 590 CA SER A 40 -2.157 13.954 4.342 1.00 0.51 C ATOM 591 C SER A 40 -2.091 12.792 5.339 1.00 0.41 C ATOM 592 O SER A 40 -2.913 11.875 5.290 1.00 0.37 O ATOM 593 CB SER A 40 -2.892 15.148 4.954 1.00 0.65 C ATOM 594 OG SER A 40 -3.180 16.095 3.947 1.00 1.86 O ATOM 0 H SER A 40 -3.713 14.062 2.953 1.00 0.55 H new ATOM 0 HA SER A 40 -1.133 14.240 4.100 1.00 0.51 H new ATOM 0 HB2 SER A 40 -3.815 14.815 5.429 1.00 0.65 H new ATOM 0 HB3 SER A 40 -2.280 15.604 5.732 1.00 0.65 H new ATOM 0 HG SER A 40 -3.652 16.858 4.341 1.00 1.86 H new ATOM 600 N ALA A 41 -1.159 12.889 6.295 1.00 0.45 N ATOM 601 CA ALA A 41 -0.977 11.937 7.387 1.00 0.43 C ATOM 602 C ALA A 41 -2.309 11.476 7.985 1.00 0.41 C ATOM 603 O ALA A 41 -2.496 10.296 8.252 1.00 0.43 O ATOM 604 CB ALA A 41 -0.094 12.569 8.466 1.00 0.49 C ATOM 0 H ALA A 41 -0.491 13.659 6.327 1.00 0.45 H new ATOM 0 HA ALA A 41 -0.491 11.049 6.983 1.00 0.43 H new ATOM 0 HB1 ALA A 41 0.044 11.861 9.283 1.00 0.49 H new ATOM 0 HB2 ALA A 41 0.876 12.824 8.039 1.00 0.49 H new ATOM 0 HB3 ALA A 41 -0.573 13.472 8.845 1.00 0.49 H new ATOM 610 N ASN A 42 -3.247 12.411 8.169 1.00 0.45 N ATOM 611 CA ASN A 42 -4.597 12.109 8.640 1.00 0.50 C ATOM 612 C ASN A 42 -5.184 10.951 7.830 1.00 0.41 C ATOM 613 O ASN A 42 -5.458 9.876 8.362 1.00 0.43 O ATOM 614 CB ASN A 42 -5.501 13.348 8.521 1.00 0.61 C ATOM 615 CG ASN A 42 -4.949 14.556 9.272 1.00 0.87 C ATOM 616 OD1 ASN A 42 -4.508 14.441 10.410 1.00 1.37 O ATOM 617 ND2 ASN A 42 -4.932 15.721 8.628 1.00 1.54 N ATOM 0 H ASN A 42 -3.087 13.403 7.994 1.00 0.45 H new ATOM 0 HA ASN A 42 -4.543 11.820 9.690 1.00 0.50 H new ATOM 0 HB2 ASN A 42 -5.622 13.604 7.468 1.00 0.61 H new ATOM 0 HB3 ASN A 42 -6.492 13.108 8.906 1.00 0.61 H new ATOM 0 HD21 ASN A 42 -4.545 16.549 9.081 1.00 1.54 H new ATOM 0 HD22 ASN A 42 -5.306 15.786 7.681 1.00 1.54 H new ATOM 624 N GLN A 43 -5.313 11.165 6.519 1.00 0.36 N ATOM 625 CA GLN A 43 -5.871 10.177 5.619 1.00 0.34 C ATOM 626 C GLN A 43 -4.989 8.935 5.610 1.00 0.33 C ATOM 627 O GLN A 43 -5.513 7.837 5.723 1.00 0.40 O ATOM 628 CB GLN A 43 -6.055 10.766 4.211 1.00 0.40 C ATOM 629 CG GLN A 43 -7.455 11.368 4.011 1.00 0.62 C ATOM 630 CD GLN A 43 -8.539 10.308 3.800 1.00 1.13 C ATOM 631 OE1 GLN A 43 -8.290 9.110 3.876 1.00 2.66 O ATOM 632 NE2 GLN A 43 -9.763 10.736 3.501 1.00 1.35 N ATOM 0 H GLN A 43 -5.031 12.031 6.060 1.00 0.36 H new ATOM 0 HA GLN A 43 -6.860 9.884 5.971 1.00 0.34 H new ATOM 0 HB2 GLN A 43 -5.303 11.536 4.040 1.00 0.40 H new ATOM 0 HB3 GLN A 43 -5.887 9.986 3.468 1.00 0.40 H new ATOM 0 HG2 GLN A 43 -7.711 11.973 4.880 1.00 0.62 H new ATOM 0 HG3 GLN A 43 -7.437 12.037 3.151 1.00 0.62 H new ATOM 0 HE21 GLN A 43 -9.953 11.736 3.442 1.00 1.35 H new ATOM 0 HE22 GLN A 43 -10.511 10.064 3.331 1.00 1.35 H new ATOM 641 N VAL A 44 -3.662 9.063 5.499 1.00 0.32 N ATOM 642 CA VAL A 44 -2.801 7.893 5.419 1.00 0.34 C ATOM 643 C VAL A 44 -2.972 7.003 6.664 1.00 0.38 C ATOM 644 O VAL A 44 -3.027 5.779 6.550 1.00 0.44 O ATOM 645 CB VAL A 44 -1.355 8.342 5.162 1.00 0.38 C ATOM 646 CG1 VAL A 44 -0.406 7.145 5.069 1.00 0.45 C ATOM 647 CG2 VAL A 44 -1.272 9.095 3.828 1.00 0.40 C ATOM 0 H VAL A 44 -3.172 9.957 5.463 1.00 0.32 H new ATOM 0 HA VAL A 44 -3.090 7.265 4.576 1.00 0.34 H new ATOM 0 HB VAL A 44 -1.063 8.980 5.996 1.00 0.38 H new ATOM 0 HG11 VAL A 44 0.609 7.499 4.887 1.00 0.45 H new ATOM 0 HG12 VAL A 44 -0.433 6.586 6.004 1.00 0.45 H new ATOM 0 HG13 VAL A 44 -0.717 6.497 4.250 1.00 0.45 H new ATOM 0 HG21 VAL A 44 -0.244 9.411 3.652 1.00 0.40 H new ATOM 0 HG22 VAL A 44 -1.594 8.439 3.019 1.00 0.40 H new ATOM 0 HG23 VAL A 44 -1.919 9.971 3.864 1.00 0.40 H new ATOM 657 N LYS A 45 -3.118 7.598 7.851 1.00 0.37 N ATOM 658 CA LYS A 45 -3.437 6.865 9.069 1.00 0.45 C ATOM 659 C LYS A 45 -4.826 6.217 8.965 1.00 0.44 C ATOM 660 O LYS A 45 -4.996 5.043 9.301 1.00 0.50 O ATOM 661 CB LYS A 45 -3.351 7.808 10.275 1.00 0.56 C ATOM 662 CG LYS A 45 -3.572 7.062 11.603 1.00 0.82 C ATOM 663 CD LYS A 45 -4.661 7.751 12.436 1.00 2.21 C ATOM 664 CE LYS A 45 -4.152 9.089 12.988 1.00 2.91 C ATOM 665 NZ LYS A 45 -5.248 9.889 13.569 1.00 4.55 N ATOM 0 H LYS A 45 -3.017 8.603 7.990 1.00 0.37 H new ATOM 0 HA LYS A 45 -2.712 6.062 9.204 1.00 0.45 H new ATOM 0 HB2 LYS A 45 -2.374 8.292 10.289 1.00 0.56 H new ATOM 0 HB3 LYS A 45 -4.096 8.597 10.173 1.00 0.56 H new ATOM 0 HG2 LYS A 45 -3.859 6.030 11.403 1.00 0.82 H new ATOM 0 HG3 LYS A 45 -2.640 7.030 12.168 1.00 0.82 H new ATOM 0 HD2 LYS A 45 -5.546 7.918 11.822 1.00 2.21 H new ATOM 0 HD3 LYS A 45 -4.962 7.103 13.259 1.00 2.21 H new ATOM 0 HE2 LYS A 45 -3.393 8.905 13.748 1.00 2.91 H new ATOM 0 HE3 LYS A 45 -3.672 9.654 12.189 1.00 2.91 H new ATOM 0 HZ1 LYS A 45 -4.868 10.786 13.932 1.00 4.55 H new ATOM 0 HZ2 LYS A 45 -5.960 10.086 12.837 1.00 4.55 H new ATOM 0 HZ3 LYS A 45 -5.689 9.359 14.348 1.00 4.55 H new ATOM 679 N ASP A 46 -5.835 6.981 8.545 1.00 0.43 N ATOM 680 CA ASP A 46 -7.204 6.482 8.491 1.00 0.50 C ATOM 681 C ASP A 46 -7.292 5.289 7.529 1.00 0.49 C ATOM 682 O ASP A 46 -7.773 4.216 7.898 1.00 0.56 O ATOM 683 CB ASP A 46 -8.168 7.621 8.126 1.00 0.59 C ATOM 684 CG ASP A 46 -8.183 8.759 9.150 1.00 2.17 C ATOM 685 OD1 ASP A 46 -7.812 8.508 10.323 1.00 3.41 O ATOM 686 OD2 ASP A 46 -8.575 9.873 8.741 1.00 3.06 O ATOM 0 H ASP A 46 -5.727 7.948 8.238 1.00 0.43 H new ATOM 0 HA ASP A 46 -7.506 6.118 9.473 1.00 0.50 H new ATOM 0 HB2 ASP A 46 -7.891 8.023 7.152 1.00 0.59 H new ATOM 0 HB3 ASP A 46 -9.176 7.217 8.029 1.00 0.59 H new ATOM 691 N VAL A 47 -6.782 5.443 6.304 1.00 0.44 N ATOM 692 CA VAL A 47 -6.704 4.345 5.350 1.00 0.44 C ATOM 693 C VAL A 47 -5.871 3.199 5.933 1.00 0.45 C ATOM 694 O VAL A 47 -6.333 2.064 5.895 1.00 0.49 O ATOM 695 CB VAL A 47 -6.255 4.796 3.944 1.00 0.46 C ATOM 696 CG1 VAL A 47 -7.094 5.976 3.437 1.00 0.52 C ATOM 697 CG2 VAL A 47 -4.773 5.130 3.847 1.00 0.59 C ATOM 0 H VAL A 47 -6.415 6.327 5.952 1.00 0.44 H new ATOM 0 HA VAL A 47 -7.711 3.961 5.190 1.00 0.44 H new ATOM 0 HB VAL A 47 -6.424 3.931 3.302 1.00 0.46 H new ATOM 0 HG11 VAL A 47 -6.750 6.267 2.444 1.00 0.52 H new ATOM 0 HG12 VAL A 47 -8.142 5.682 3.386 1.00 0.52 H new ATOM 0 HG13 VAL A 47 -6.987 6.819 4.120 1.00 0.52 H new ATOM 0 HG21 VAL A 47 -4.535 5.438 2.829 1.00 0.59 H new ATOM 0 HG22 VAL A 47 -4.537 5.941 4.536 1.00 0.59 H new ATOM 0 HG23 VAL A 47 -4.184 4.250 4.106 1.00 0.59 H new ATOM 707 N PHE A 48 -4.696 3.474 6.520 1.00 0.44 N ATOM 708 CA PHE A 48 -3.896 2.473 7.231 1.00 0.50 C ATOM 709 C PHE A 48 -4.769 1.626 8.166 1.00 0.50 C ATOM 710 O PHE A 48 -4.709 0.397 8.123 1.00 0.53 O ATOM 711 CB PHE A 48 -2.715 3.132 7.959 1.00 0.61 C ATOM 712 CG PHE A 48 -2.032 2.254 8.987 1.00 1.56 C ATOM 713 CD1 PHE A 48 -2.562 2.159 10.288 1.00 3.23 C ATOM 714 CD2 PHE A 48 -0.903 1.494 8.635 1.00 2.54 C ATOM 715 CE1 PHE A 48 -2.045 1.216 11.193 1.00 4.36 C ATOM 716 CE2 PHE A 48 -0.314 0.643 9.584 1.00 3.66 C ATOM 717 CZ PHE A 48 -0.915 0.459 10.841 1.00 4.26 C ATOM 0 H PHE A 48 -4.275 4.403 6.513 1.00 0.44 H new ATOM 0 HA PHE A 48 -3.472 1.787 6.498 1.00 0.50 H new ATOM 0 HB2 PHE A 48 -1.977 3.442 7.219 1.00 0.61 H new ATOM 0 HB3 PHE A 48 -3.070 4.037 8.453 1.00 0.61 H new ATOM 0 HD1 PHE A 48 -3.367 2.812 10.591 1.00 3.23 H new ATOM 0 HD2 PHE A 48 -0.491 1.564 7.639 1.00 2.54 H new ATOM 0 HE1 PHE A 48 -2.515 1.074 12.155 1.00 4.36 H new ATOM 0 HE2 PHE A 48 0.605 0.128 9.347 1.00 3.66 H new ATOM 0 HZ PHE A 48 -0.509 -0.263 11.535 1.00 4.26 H new ATOM 727 N ARG A 49 -5.615 2.258 8.986 1.00 0.52 N ATOM 728 CA ARG A 49 -6.528 1.509 9.843 1.00 0.55 C ATOM 729 C ARG A 49 -7.500 0.643 9.035 1.00 0.47 C ATOM 730 O ARG A 49 -7.822 -0.461 9.467 1.00 0.52 O ATOM 731 CB ARG A 49 -7.281 2.432 10.808 1.00 0.70 C ATOM 732 CG ARG A 49 -6.364 2.881 11.950 1.00 1.03 C ATOM 733 CD ARG A 49 -7.160 3.669 12.993 1.00 1.30 C ATOM 734 NE ARG A 49 -6.360 3.908 14.204 1.00 2.39 N ATOM 735 CZ ARG A 49 -6.234 3.072 15.251 1.00 2.99 C ATOM 736 NH1 ARG A 49 -6.851 1.885 15.279 1.00 3.64 N ATOM 737 NH2 ARG A 49 -5.470 3.433 16.289 1.00 4.26 N ATOM 0 H ARG A 49 -5.684 3.272 9.071 1.00 0.52 H new ATOM 0 HA ARG A 49 -5.914 0.833 10.439 1.00 0.55 H new ATOM 0 HB2 ARG A 49 -7.654 3.303 10.270 1.00 0.70 H new ATOM 0 HB3 ARG A 49 -8.149 1.912 11.214 1.00 0.70 H new ATOM 0 HG2 ARG A 49 -5.901 2.012 12.417 1.00 1.03 H new ATOM 0 HG3 ARG A 49 -5.557 3.499 11.556 1.00 1.03 H new ATOM 0 HD2 ARG A 49 -7.476 4.622 12.569 1.00 1.30 H new ATOM 0 HD3 ARG A 49 -8.065 3.120 13.254 1.00 1.30 H new ATOM 0 HE ARG A 49 -5.853 4.791 14.255 1.00 2.39 H new ATOM 0 HH11 ARG A 49 -7.434 1.595 14.494 1.00 3.64 H new ATOM 0 HH12 ARG A 49 -6.738 1.271 16.085 1.00 3.64 H new ATOM 0 HH21 ARG A 49 -4.991 4.333 16.281 1.00 4.26 H new ATOM 0 HH22 ARG A 49 -5.367 2.808 17.088 1.00 4.26 H new ATOM 751 N PHE A 50 -7.966 1.111 7.872 1.00 0.41 N ATOM 752 CA PHE A 50 -8.774 0.274 6.992 1.00 0.44 C ATOM 753 C PHE A 50 -7.938 -0.905 6.472 1.00 0.46 C ATOM 754 O PHE A 50 -8.467 -1.998 6.281 1.00 0.55 O ATOM 755 CB PHE A 50 -9.383 1.126 5.863 1.00 0.52 C ATOM 756 CG PHE A 50 -10.511 0.474 5.079 1.00 1.30 C ATOM 757 CD1 PHE A 50 -11.705 0.112 5.734 1.00 2.17 C ATOM 758 CD2 PHE A 50 -10.414 0.316 3.682 1.00 2.68 C ATOM 759 CE1 PHE A 50 -12.772 -0.446 5.009 1.00 3.05 C ATOM 760 CE2 PHE A 50 -11.492 -0.220 2.952 1.00 3.71 C ATOM 761 CZ PHE A 50 -12.664 -0.618 3.618 1.00 3.60 C ATOM 0 H PHE A 50 -7.798 2.055 7.525 1.00 0.41 H new ATOM 0 HA PHE A 50 -9.609 -0.153 7.548 1.00 0.44 H new ATOM 0 HB2 PHE A 50 -9.755 2.055 6.295 1.00 0.52 H new ATOM 0 HB3 PHE A 50 -8.589 1.394 5.166 1.00 0.52 H new ATOM 0 HD1 PHE A 50 -11.801 0.264 6.799 1.00 2.17 H new ATOM 0 HD2 PHE A 50 -9.509 0.607 3.169 1.00 2.68 H new ATOM 0 HE1 PHE A 50 -13.675 -0.743 5.521 1.00 3.05 H new ATOM 0 HE2 PHE A 50 -11.418 -0.325 1.880 1.00 3.71 H new ATOM 0 HZ PHE A 50 -13.480 -1.055 3.062 1.00 3.60 H new ATOM 771 N ILE A 51 -6.631 -0.701 6.253 1.00 0.52 N ATOM 772 CA ILE A 51 -5.741 -1.776 5.830 1.00 0.67 C ATOM 773 C ILE A 51 -5.563 -2.830 6.928 1.00 0.57 C ATOM 774 O ILE A 51 -5.804 -4.005 6.644 1.00 1.07 O ATOM 775 CB ILE A 51 -4.364 -1.280 5.351 1.00 1.04 C ATOM 776 CG1 ILE A 51 -4.380 -0.122 4.343 1.00 1.55 C ATOM 777 CG2 ILE A 51 -3.618 -2.462 4.720 1.00 1.12 C ATOM 778 CD1 ILE A 51 -5.350 -0.296 3.177 1.00 1.17 C ATOM 0 H ILE A 51 -6.172 0.203 6.364 1.00 0.52 H new ATOM 0 HA ILE A 51 -6.234 -2.234 4.973 1.00 0.67 H new ATOM 0 HB ILE A 51 -3.873 -0.883 6.239 1.00 1.04 H new ATOM 0 HG12 ILE A 51 -4.632 0.797 4.872 1.00 1.55 H new ATOM 0 HG13 ILE A 51 -3.374 0.006 3.943 1.00 1.55 H new ATOM 0 HG21 ILE A 51 -2.639 -2.131 4.374 1.00 1.12 H new ATOM 0 HG22 ILE A 51 -3.493 -3.251 5.461 1.00 1.12 H new ATOM 0 HG23 ILE A 51 -4.191 -2.845 3.876 1.00 1.12 H new ATOM 0 HD11 ILE A 51 -5.289 0.572 2.520 1.00 1.17 H new ATOM 0 HD12 ILE A 51 -5.088 -1.194 2.617 1.00 1.17 H new ATOM 0 HD13 ILE A 51 -6.366 -0.391 3.560 1.00 1.17 H new ATOM 790 N ASP A 52 -5.086 -2.453 8.130 1.00 0.84 N ATOM 791 CA ASP A 52 -4.761 -3.430 9.184 1.00 0.77 C ATOM 792 C ASP A 52 -6.053 -3.986 9.778 1.00 1.04 C ATOM 793 O ASP A 52 -6.423 -3.673 10.903 1.00 1.89 O ATOM 794 CB ASP A 52 -3.799 -2.889 10.276 1.00 0.83 C ATOM 795 CG ASP A 52 -3.004 -4.033 10.918 1.00 0.87 C ATOM 796 OD1 ASP A 52 -2.374 -4.774 10.141 1.00 2.37 O ATOM 797 OD2 ASP A 52 -2.965 -4.264 12.154 1.00 1.54 O ATOM 0 H ASP A 52 -4.918 -1.482 8.394 1.00 0.84 H new ATOM 0 HA ASP A 52 -4.202 -4.239 8.713 1.00 0.77 H new ATOM 0 HB2 ASP A 52 -3.113 -2.165 9.836 1.00 0.83 H new ATOM 0 HB3 ASP A 52 -4.370 -2.363 11.041 1.00 0.83 H new ATOM 802 N ASN A 53 -6.756 -4.804 8.998 1.00 0.57 N ATOM 803 CA ASN A 53 -8.096 -5.301 9.269 1.00 0.78 C ATOM 804 C ASN A 53 -8.155 -6.099 10.570 1.00 0.76 C ATOM 805 O ASN A 53 -9.168 -6.087 11.264 1.00 1.58 O ATOM 806 CB ASN A 53 -8.522 -6.149 8.069 1.00 1.08 C ATOM 807 CG ASN A 53 -9.916 -6.742 8.235 1.00 1.29 C ATOM 808 OD1 ASN A 53 -10.913 -6.065 8.017 1.00 2.01 O ATOM 809 ND2 ASN A 53 -10.001 -8.030 8.556 1.00 1.08 N ATOM 0 H ASN A 53 -6.384 -5.154 8.115 1.00 0.57 H new ATOM 0 HA ASN A 53 -8.783 -4.465 9.404 1.00 0.78 H new ATOM 0 HB2 ASN A 53 -8.497 -5.536 7.168 1.00 1.08 H new ATOM 0 HB3 ASN A 53 -7.803 -6.956 7.925 1.00 1.08 H new ATOM 0 HD21 ASN A 53 -10.914 -8.479 8.626 1.00 1.08 H new ATOM 0 HD22 ASN A 53 -9.153 -8.569 8.732 1.00 1.08 H new ATOM 816 N ASP A 54 -7.062 -6.790 10.895 1.00 0.55 N ATOM 817 CA ASP A 54 -6.887 -7.513 12.143 1.00 0.62 C ATOM 818 C ASP A 54 -6.631 -6.558 13.319 1.00 0.72 C ATOM 819 O ASP A 54 -6.843 -6.934 14.468 1.00 1.07 O ATOM 820 CB ASP A 54 -5.722 -8.495 11.964 1.00 0.96 C ATOM 821 CG ASP A 54 -4.401 -7.779 11.754 1.00 1.17 C ATOM 822 OD1 ASP A 54 -4.317 -6.800 10.984 1.00 2.34 O ATOM 823 OD2 ASP A 54 -3.383 -8.137 12.375 1.00 1.92 O ATOM 0 H ASP A 54 -6.254 -6.861 10.276 1.00 0.55 H new ATOM 0 HA ASP A 54 -7.801 -8.057 12.382 1.00 0.62 H new ATOM 0 HB2 ASP A 54 -5.651 -9.137 12.842 1.00 0.96 H new ATOM 0 HB3 ASP A 54 -5.922 -9.143 11.111 1.00 0.96 H new ATOM 828 N GLN A 55 -6.179 -5.331 13.035 1.00 0.63 N ATOM 829 CA GLN A 55 -5.837 -4.291 13.994 1.00 0.88 C ATOM 830 C GLN A 55 -4.907 -4.823 15.086 1.00 1.07 C ATOM 831 O GLN A 55 -5.226 -4.789 16.273 1.00 1.56 O ATOM 832 CB GLN A 55 -7.094 -3.557 14.514 1.00 0.97 C ATOM 833 CG GLN A 55 -7.410 -2.327 13.644 1.00 1.94 C ATOM 834 CD GLN A 55 -8.463 -1.409 14.256 1.00 2.28 C ATOM 835 OE1 GLN A 55 -8.256 -0.199 14.364 1.00 3.15 O ATOM 836 NE2 GLN A 55 -9.598 -1.968 14.663 1.00 2.30 N ATOM 0 H GLN A 55 -6.036 -5.027 12.072 1.00 0.63 H new ATOM 0 HA GLN A 55 -5.260 -3.521 13.481 1.00 0.88 H new ATOM 0 HB2 GLN A 55 -7.945 -4.238 14.511 1.00 0.97 H new ATOM 0 HB3 GLN A 55 -6.938 -3.246 15.547 1.00 0.97 H new ATOM 0 HG2 GLN A 55 -6.493 -1.760 13.483 1.00 1.94 H new ATOM 0 HG3 GLN A 55 -7.754 -2.662 12.665 1.00 1.94 H new ATOM 0 HE21 GLN A 55 -9.737 -2.973 14.559 1.00 2.30 H new ATOM 0 HE22 GLN A 55 -10.330 -1.392 15.079 1.00 2.30 H new ATOM 845 N SER A 56 -3.710 -5.249 14.671 1.00 0.93 N ATOM 846 CA SER A 56 -2.614 -5.536 15.591 1.00 1.06 C ATOM 847 C SER A 56 -1.726 -4.310 15.740 1.00 1.10 C ATOM 848 O SER A 56 -1.215 -4.050 16.826 1.00 1.38 O ATOM 849 CB SER A 56 -1.774 -6.719 15.103 1.00 1.10 C ATOM 850 OG SER A 56 -1.745 -6.775 13.691 1.00 1.07 O ATOM 0 H SER A 56 -3.478 -5.403 13.690 1.00 0.93 H new ATOM 0 HA SER A 56 -3.047 -5.797 16.557 1.00 1.06 H new ATOM 0 HB2 SER A 56 -0.758 -6.630 15.487 1.00 1.10 H new ATOM 0 HB3 SER A 56 -2.185 -7.648 15.498 1.00 1.10 H new ATOM 0 HG SER A 56 -2.197 -7.590 13.387 1.00 1.07 H new ATOM 856 N GLY A 57 -1.499 -3.590 14.635 1.00 1.02 N ATOM 857 CA GLY A 57 -0.495 -2.536 14.589 1.00 1.18 C ATOM 858 C GLY A 57 0.802 -3.011 13.932 1.00 1.17 C ATOM 859 O GLY A 57 1.833 -2.357 14.076 1.00 1.60 O ATOM 0 H GLY A 57 -2.004 -3.724 13.759 1.00 1.02 H new ATOM 0 HA2 GLY A 57 -0.890 -1.683 14.038 1.00 1.18 H new ATOM 0 HA3 GLY A 57 -0.284 -2.191 15.601 1.00 1.18 H new ATOM 863 N TYR A 58 0.746 -4.112 13.174 1.00 0.95 N ATOM 864 CA TYR A 58 1.786 -4.492 12.231 1.00 0.87 C ATOM 865 C TYR A 58 1.128 -4.925 10.925 1.00 0.79 C ATOM 866 O TYR A 58 0.107 -5.624 10.951 1.00 0.75 O ATOM 867 CB TYR A 58 2.673 -5.615 12.782 1.00 0.99 C ATOM 868 CG TYR A 58 3.695 -5.187 13.820 1.00 1.12 C ATOM 869 CD1 TYR A 58 4.697 -4.258 13.477 1.00 2.11 C ATOM 870 CD2 TYR A 58 3.743 -5.832 15.070 1.00 2.36 C ATOM 871 CE1 TYR A 58 5.748 -3.990 14.370 1.00 2.30 C ATOM 872 CE2 TYR A 58 4.795 -5.562 15.963 1.00 2.61 C ATOM 873 CZ TYR A 58 5.801 -4.648 15.609 1.00 1.84 C ATOM 874 OH TYR A 58 6.879 -4.464 16.424 1.00 2.30 O ATOM 0 H TYR A 58 -0.035 -4.767 13.204 1.00 0.95 H new ATOM 0 HA TYR A 58 2.433 -3.632 12.059 1.00 0.87 H new ATOM 0 HB2 TYR A 58 2.032 -6.379 13.222 1.00 0.99 H new ATOM 0 HB3 TYR A 58 3.199 -6.081 11.949 1.00 0.99 H new ATOM 0 HD1 TYR A 58 4.657 -3.750 12.525 1.00 2.11 H new ATOM 0 HD2 TYR A 58 2.971 -6.535 15.344 1.00 2.36 H new ATOM 0 HE1 TYR A 58 6.515 -3.278 14.103 1.00 2.30 H new ATOM 0 HE2 TYR A 58 4.830 -6.058 16.922 1.00 2.61 H new ATOM 0 HH TYR A 58 6.762 -4.988 17.244 1.00 2.30 H new ATOM 884 N LEU A 59 1.717 -4.483 9.809 1.00 0.81 N ATOM 885 CA LEU A 59 1.430 -4.931 8.452 1.00 0.68 C ATOM 886 C LEU A 59 2.368 -6.093 8.134 1.00 0.70 C ATOM 887 O LEU A 59 3.311 -5.961 7.354 1.00 0.79 O ATOM 888 CB LEU A 59 1.626 -3.768 7.464 1.00 0.71 C ATOM 889 CG LEU A 59 0.369 -2.938 7.200 1.00 0.86 C ATOM 890 CD1 LEU A 59 -0.641 -3.719 6.361 1.00 1.73 C ATOM 891 CD2 LEU A 59 -0.292 -2.463 8.494 1.00 1.72 C ATOM 0 H LEU A 59 2.443 -3.767 9.835 1.00 0.81 H new ATOM 0 HA LEU A 59 0.396 -5.264 8.363 1.00 0.68 H new ATOM 0 HB2 LEU A 59 2.406 -3.110 7.848 1.00 0.71 H new ATOM 0 HB3 LEU A 59 1.986 -4.170 6.517 1.00 0.71 H new ATOM 0 HG LEU A 59 0.691 -2.058 6.643 1.00 0.86 H new ATOM 0 HD11 LEU A 59 -1.524 -3.104 6.189 1.00 1.73 H new ATOM 0 HD12 LEU A 59 -0.192 -3.984 5.404 1.00 1.73 H new ATOM 0 HD13 LEU A 59 -0.929 -4.627 6.890 1.00 1.73 H new ATOM 0 HD21 LEU A 59 -1.180 -1.878 8.255 1.00 1.72 H new ATOM 0 HD22 LEU A 59 -0.577 -3.326 9.095 1.00 1.72 H new ATOM 0 HD23 LEU A 59 0.409 -1.846 9.055 1.00 1.72 H new ATOM 903 N ASP A 60 2.123 -7.233 8.771 1.00 0.74 N ATOM 904 CA ASP A 60 2.881 -8.450 8.547 1.00 0.80 C ATOM 905 C ASP A 60 2.701 -8.940 7.104 1.00 0.74 C ATOM 906 O ASP A 60 1.792 -8.513 6.390 1.00 0.68 O ATOM 907 CB ASP A 60 2.437 -9.510 9.565 1.00 0.90 C ATOM 908 CG ASP A 60 2.364 -8.946 10.980 1.00 1.12 C ATOM 909 OD1 ASP A 60 1.412 -8.164 11.218 1.00 1.24 O ATOM 910 OD2 ASP A 60 3.277 -9.257 11.772 1.00 1.77 O ATOM 0 H ASP A 60 1.383 -7.335 9.465 1.00 0.74 H new ATOM 0 HA ASP A 60 3.944 -8.254 8.688 1.00 0.80 H new ATOM 0 HB2 ASP A 60 1.460 -9.901 9.279 1.00 0.90 H new ATOM 0 HB3 ASP A 60 3.134 -10.348 9.544 1.00 0.90 H new ATOM 915 N GLU A 61 3.562 -9.868 6.676 1.00 0.88 N ATOM 916 CA GLU A 61 3.584 -10.400 5.319 1.00 0.98 C ATOM 917 C GLU A 61 2.187 -10.824 4.857 1.00 0.86 C ATOM 918 O GLU A 61 1.716 -10.446 3.783 1.00 0.92 O ATOM 919 CB GLU A 61 4.597 -11.554 5.257 1.00 1.18 C ATOM 920 CG GLU A 61 5.363 -11.568 3.926 1.00 2.13 C ATOM 921 CD GLU A 61 4.848 -12.555 2.886 1.00 3.37 C ATOM 922 OE1 GLU A 61 3.797 -13.182 3.135 1.00 4.32 O ATOM 923 OE2 GLU A 61 5.538 -12.642 1.848 1.00 4.06 O ATOM 0 H GLU A 61 4.276 -10.276 7.279 1.00 0.88 H new ATOM 0 HA GLU A 61 3.900 -9.620 4.626 1.00 0.98 H new ATOM 0 HB2 GLU A 61 5.303 -11.463 6.082 1.00 1.18 H new ATOM 0 HB3 GLU A 61 4.076 -12.503 5.387 1.00 1.18 H new ATOM 0 HG2 GLU A 61 5.332 -10.566 3.498 1.00 2.13 H new ATOM 0 HG3 GLU A 61 6.409 -11.795 4.131 1.00 2.13 H new ATOM 930 N GLU A 62 1.493 -11.566 5.721 1.00 0.80 N ATOM 931 CA GLU A 62 0.182 -12.094 5.397 1.00 0.89 C ATOM 932 C GLU A 62 -0.908 -11.013 5.410 1.00 0.93 C ATOM 933 O GLU A 62 -1.945 -11.195 4.775 1.00 1.28 O ATOM 934 CB GLU A 62 -0.126 -13.309 6.296 1.00 1.05 C ATOM 935 CG GLU A 62 -0.832 -14.371 5.451 1.00 1.41 C ATOM 936 CD GLU A 62 -1.004 -15.723 6.120 1.00 2.03 C ATOM 937 OE1 GLU A 62 -0.821 -15.814 7.348 1.00 2.80 O ATOM 938 OE2 GLU A 62 -1.308 -16.653 5.334 1.00 3.09 O ATOM 0 H GLU A 62 1.826 -11.812 6.653 1.00 0.80 H new ATOM 0 HA GLU A 62 0.189 -12.449 4.366 1.00 0.89 H new ATOM 0 HB2 GLU A 62 0.795 -13.711 6.718 1.00 1.05 H new ATOM 0 HB3 GLU A 62 -0.757 -13.010 7.134 1.00 1.05 H new ATOM 0 HG2 GLU A 62 -1.816 -13.994 5.172 1.00 1.41 H new ATOM 0 HG3 GLU A 62 -0.270 -14.510 4.528 1.00 1.41 H new ATOM 945 N GLU A 63 -0.663 -9.867 6.056 1.00 0.74 N ATOM 946 CA GLU A 63 -1.496 -8.687 5.859 1.00 0.79 C ATOM 947 C GLU A 63 -1.237 -8.138 4.463 1.00 0.66 C ATOM 948 O GLU A 63 -2.161 -7.849 3.705 1.00 0.71 O ATOM 949 CB GLU A 63 -1.183 -7.606 6.904 1.00 0.99 C ATOM 950 CG GLU A 63 -2.409 -7.332 7.774 1.00 1.49 C ATOM 951 CD GLU A 63 -2.566 -8.424 8.810 1.00 1.26 C ATOM 952 OE1 GLU A 63 -1.845 -8.284 9.823 1.00 1.74 O ATOM 953 OE2 GLU A 63 -3.399 -9.329 8.611 1.00 2.67 O ATOM 0 H GLU A 63 0.104 -9.737 6.716 1.00 0.74 H new ATOM 0 HA GLU A 63 -2.543 -8.969 5.971 1.00 0.79 H new ATOM 0 HB2 GLU A 63 -0.350 -7.927 7.530 1.00 0.99 H new ATOM 0 HB3 GLU A 63 -0.872 -6.688 6.405 1.00 0.99 H new ATOM 0 HG2 GLU A 63 -2.306 -6.365 8.266 1.00 1.49 H new ATOM 0 HG3 GLU A 63 -3.302 -7.280 7.151 1.00 1.49 H new ATOM 960 N LEU A 64 0.048 -7.988 4.130 1.00 0.62 N ATOM 961 CA LEU A 64 0.478 -7.540 2.816 1.00 0.71 C ATOM 962 C LEU A 64 -0.227 -8.350 1.724 1.00 0.70 C ATOM 963 O LEU A 64 -0.710 -7.778 0.748 1.00 1.02 O ATOM 964 CB LEU A 64 2.009 -7.622 2.694 1.00 1.04 C ATOM 965 CG LEU A 64 2.676 -6.301 2.286 1.00 1.23 C ATOM 966 CD1 LEU A 64 2.097 -5.730 0.987 1.00 2.60 C ATOM 967 CD2 LEU A 64 2.604 -5.271 3.422 1.00 1.92 C ATOM 0 H LEU A 64 0.818 -8.177 4.772 1.00 0.62 H new ATOM 0 HA LEU A 64 0.197 -6.495 2.685 1.00 0.71 H new ATOM 0 HB2 LEU A 64 2.422 -7.946 3.649 1.00 1.04 H new ATOM 0 HB3 LEU A 64 2.264 -8.387 1.961 1.00 1.04 H new ATOM 0 HG LEU A 64 3.725 -6.524 2.093 1.00 1.23 H new ATOM 0 HD11 LEU A 64 2.603 -4.796 0.743 1.00 2.60 H new ATOM 0 HD12 LEU A 64 2.245 -6.445 0.178 1.00 2.60 H new ATOM 0 HD13 LEU A 64 1.031 -5.542 1.115 1.00 2.60 H new ATOM 0 HD21 LEU A 64 3.084 -4.345 3.105 1.00 1.92 H new ATOM 0 HD22 LEU A 64 1.561 -5.073 3.668 1.00 1.92 H new ATOM 0 HD23 LEU A 64 3.116 -5.662 4.301 1.00 1.92 H new ATOM 979 N LYS A 65 -0.343 -9.669 1.926 1.00 0.71 N ATOM 980 CA LYS A 65 -1.042 -10.593 1.036 1.00 0.84 C ATOM 981 C LYS A 65 -2.508 -10.211 0.740 1.00 0.78 C ATOM 982 O LYS A 65 -3.112 -10.839 -0.130 1.00 1.08 O ATOM 983 CB LYS A 65 -0.915 -12.025 1.589 1.00 1.03 C ATOM 984 CG LYS A 65 -1.257 -13.117 0.559 1.00 1.36 C ATOM 985 CD LYS A 65 -0.796 -14.517 1.010 1.00 1.51 C ATOM 986 CE LYS A 65 -1.638 -15.060 2.177 1.00 1.92 C ATOM 987 NZ LYS A 65 -1.035 -16.263 2.794 1.00 2.16 N ATOM 0 H LYS A 65 0.061 -10.133 2.740 1.00 0.71 H new ATOM 0 HA LYS A 65 -0.555 -10.531 0.063 1.00 0.84 H new ATOM 0 HB2 LYS A 65 0.104 -12.179 1.944 1.00 1.03 H new ATOM 0 HB3 LYS A 65 -1.573 -12.132 2.451 1.00 1.03 H new ATOM 0 HG2 LYS A 65 -2.334 -13.129 0.391 1.00 1.36 H new ATOM 0 HG3 LYS A 65 -0.788 -12.873 -0.394 1.00 1.36 H new ATOM 0 HD2 LYS A 65 -0.858 -15.206 0.168 1.00 1.51 H new ATOM 0 HD3 LYS A 65 0.251 -14.473 1.310 1.00 1.51 H new ATOM 0 HE2 LYS A 65 -1.749 -14.283 2.934 1.00 1.92 H new ATOM 0 HE3 LYS A 65 -2.639 -15.301 1.818 1.00 1.92 H new ATOM 0 HZ1 LYS A 65 -1.484 -16.443 3.715 1.00 2.16 H new ATOM 0 HZ2 LYS A 65 -1.181 -17.083 2.171 1.00 2.16 H new ATOM 0 HZ3 LYS A 65 -0.015 -16.109 2.930 1.00 2.16 H new ATOM 1001 N PHE A 66 -3.099 -9.206 1.404 1.00 0.56 N ATOM 1002 CA PHE A 66 -4.388 -8.638 1.003 1.00 0.55 C ATOM 1003 C PHE A 66 -4.425 -7.099 1.053 1.00 0.59 C ATOM 1004 O PHE A 66 -5.517 -6.532 1.049 1.00 1.03 O ATOM 1005 CB PHE A 66 -5.515 -9.266 1.839 1.00 0.74 C ATOM 1006 CG PHE A 66 -5.424 -9.071 3.346 1.00 2.06 C ATOM 1007 CD1 PHE A 66 -5.825 -7.859 3.945 1.00 3.70 C ATOM 1008 CD2 PHE A 66 -4.971 -10.127 4.160 1.00 2.82 C ATOM 1009 CE1 PHE A 66 -5.782 -7.709 5.342 1.00 5.37 C ATOM 1010 CE2 PHE A 66 -4.987 -9.996 5.560 1.00 4.47 C ATOM 1011 CZ PHE A 66 -5.412 -8.796 6.151 1.00 5.60 C ATOM 0 H PHE A 66 -2.695 -8.767 2.232 1.00 0.56 H new ATOM 0 HA PHE A 66 -4.540 -8.889 -0.047 1.00 0.55 H new ATOM 0 HB2 PHE A 66 -6.465 -8.855 1.497 1.00 0.74 H new ATOM 0 HB3 PHE A 66 -5.539 -10.336 1.633 1.00 0.74 H new ATOM 0 HD1 PHE A 66 -6.167 -7.042 3.327 1.00 3.70 H new ATOM 0 HD2 PHE A 66 -4.611 -11.039 3.708 1.00 2.82 H new ATOM 0 HE1 PHE A 66 -6.033 -6.760 5.792 1.00 5.37 H new ATOM 0 HE2 PHE A 66 -4.672 -10.821 6.182 1.00 4.47 H new ATOM 0 HZ PHE A 66 -5.454 -8.708 7.227 1.00 5.60 H new ATOM 1021 N PHE A 67 -3.272 -6.418 1.060 1.00 0.55 N ATOM 1022 CA PHE A 67 -3.150 -4.967 1.261 1.00 0.63 C ATOM 1023 C PHE A 67 -4.204 -4.135 0.502 1.00 0.71 C ATOM 1024 O PHE A 67 -5.167 -3.657 1.104 1.00 0.91 O ATOM 1025 CB PHE A 67 -1.696 -4.537 0.984 1.00 0.66 C ATOM 1026 CG PHE A 67 -1.463 -3.083 0.606 1.00 0.78 C ATOM 1027 CD1 PHE A 67 -1.963 -2.051 1.418 1.00 1.54 C ATOM 1028 CD2 PHE A 67 -0.768 -2.760 -0.575 1.00 2.22 C ATOM 1029 CE1 PHE A 67 -1.764 -0.707 1.065 1.00 1.50 C ATOM 1030 CE2 PHE A 67 -0.533 -1.413 -0.910 1.00 2.52 C ATOM 1031 CZ PHE A 67 -1.045 -0.387 -0.096 1.00 1.38 C ATOM 0 H PHE A 67 -2.370 -6.875 0.922 1.00 0.55 H new ATOM 0 HA PHE A 67 -3.378 -4.749 2.304 1.00 0.63 H new ATOM 0 HB2 PHE A 67 -1.104 -4.754 1.873 1.00 0.66 H new ATOM 0 HB3 PHE A 67 -1.306 -5.162 0.181 1.00 0.66 H new ATOM 0 HD1 PHE A 67 -2.504 -2.294 2.320 1.00 1.54 H new ATOM 0 HD2 PHE A 67 -0.415 -3.547 -1.225 1.00 2.22 H new ATOM 0 HE1 PHE A 67 -2.164 0.080 1.687 1.00 1.50 H new ATOM 0 HE2 PHE A 67 0.040 -1.168 -1.792 1.00 2.52 H new ATOM 0 HZ PHE A 67 -0.885 0.647 -0.365 1.00 1.38 H new ATOM 1041 N LEU A 68 -4.056 -3.965 -0.814 1.00 0.67 N ATOM 1042 CA LEU A 68 -5.006 -3.230 -1.650 1.00 0.80 C ATOM 1043 C LEU A 68 -6.290 -4.033 -1.881 1.00 0.77 C ATOM 1044 O LEU A 68 -7.190 -3.551 -2.568 1.00 0.66 O ATOM 1045 CB LEU A 68 -4.392 -2.927 -3.024 1.00 0.89 C ATOM 1046 CG LEU A 68 -3.235 -1.916 -3.051 1.00 1.44 C ATOM 1047 CD1 LEU A 68 -2.069 -2.486 -3.872 1.00 2.23 C ATOM 1048 CD2 LEU A 68 -3.662 -0.575 -3.663 1.00 2.17 C ATOM 0 H LEU A 68 -3.263 -4.339 -1.335 1.00 0.67 H new ATOM 0 HA LEU A 68 -5.241 -2.306 -1.121 1.00 0.80 H new ATOM 0 HB2 LEU A 68 -4.036 -3.864 -3.453 1.00 0.89 H new ATOM 0 HB3 LEU A 68 -5.183 -2.558 -3.677 1.00 0.89 H new ATOM 0 HG LEU A 68 -2.929 -1.741 -2.020 1.00 1.44 H new ATOM 0 HD11 LEU A 68 -1.250 -1.767 -3.889 1.00 2.23 H new ATOM 0 HD12 LEU A 68 -1.725 -3.416 -3.419 1.00 2.23 H new ATOM 0 HD13 LEU A 68 -2.403 -2.680 -4.891 1.00 2.23 H new ATOM 0 HD21 LEU A 68 -2.815 0.111 -3.663 1.00 2.17 H new ATOM 0 HD22 LEU A 68 -4.001 -0.734 -4.687 1.00 2.17 H new ATOM 0 HD23 LEU A 68 -4.474 -0.149 -3.074 1.00 2.17 H new ATOM 1060 N GLN A 69 -6.422 -5.248 -1.343 1.00 0.88 N ATOM 1061 CA GLN A 69 -7.593 -6.076 -1.597 1.00 0.72 C ATOM 1062 C GLN A 69 -8.817 -5.524 -0.860 1.00 0.72 C ATOM 1063 O GLN A 69 -9.951 -5.817 -1.229 1.00 0.91 O ATOM 1064 CB GLN A 69 -7.276 -7.535 -1.245 1.00 0.60 C ATOM 1065 CG GLN A 69 -7.869 -8.534 -2.245 1.00 1.36 C ATOM 1066 CD GLN A 69 -7.096 -9.847 -2.191 1.00 1.55 C ATOM 1067 OE1 GLN A 69 -7.087 -10.523 -1.166 1.00 2.70 O ATOM 1068 NE2 GLN A 69 -6.410 -10.196 -3.277 1.00 1.81 N ATOM 0 H GLN A 69 -5.729 -5.676 -0.729 1.00 0.88 H new ATOM 0 HA GLN A 69 -7.846 -6.049 -2.657 1.00 0.72 H new ATOM 0 HB2 GLN A 69 -6.195 -7.667 -1.206 1.00 0.60 H new ATOM 0 HB3 GLN A 69 -7.660 -7.755 -0.249 1.00 0.60 H new ATOM 0 HG2 GLN A 69 -8.920 -8.711 -2.015 1.00 1.36 H new ATOM 0 HG3 GLN A 69 -7.829 -8.120 -3.252 1.00 1.36 H new ATOM 0 HE21 GLN A 69 -6.442 -9.609 -4.111 1.00 1.81 H new ATOM 0 HE22 GLN A 69 -5.853 -11.050 -3.276 1.00 1.81 H new ATOM 1077 N LYS A 70 -8.597 -4.685 0.162 1.00 0.75 N ATOM 1078 CA LYS A 70 -9.643 -3.830 0.714 1.00 0.76 C ATOM 1079 C LYS A 70 -10.200 -2.874 -0.348 1.00 0.64 C ATOM 1080 O LYS A 70 -11.347 -2.446 -0.235 1.00 0.93 O ATOM 1081 CB LYS A 70 -9.106 -3.021 1.910 1.00 1.05 C ATOM 1082 CG LYS A 70 -9.379 -3.692 3.261 1.00 1.48 C ATOM 1083 CD LYS A 70 -8.389 -4.825 3.577 1.00 0.95 C ATOM 1084 CE LYS A 70 -9.075 -5.955 4.357 1.00 1.33 C ATOM 1085 NZ LYS A 70 -9.893 -6.814 3.478 1.00 2.89 N ATOM 0 H LYS A 70 -7.693 -4.584 0.623 1.00 0.75 H new ATOM 0 HA LYS A 70 -10.451 -4.478 1.053 1.00 0.76 H new ATOM 0 HB2 LYS A 70 -8.032 -2.879 1.792 1.00 1.05 H new ATOM 0 HB3 LYS A 70 -9.561 -2.030 1.905 1.00 1.05 H new ATOM 0 HG2 LYS A 70 -9.329 -2.942 4.050 1.00 1.48 H new ATOM 0 HG3 LYS A 70 -10.393 -4.091 3.264 1.00 1.48 H new ATOM 0 HD2 LYS A 70 -7.974 -5.219 2.649 1.00 0.95 H new ATOM 0 HD3 LYS A 70 -7.555 -4.432 4.158 1.00 0.95 H new ATOM 0 HE2 LYS A 70 -8.320 -6.562 4.856 1.00 1.33 H new ATOM 0 HE3 LYS A 70 -9.706 -5.527 5.136 1.00 1.33 H new ATOM 0 HZ1 LYS A 70 -10.339 -7.564 4.043 1.00 2.89 H new ATOM 0 HZ2 LYS A 70 -10.630 -6.241 3.021 1.00 2.89 H new ATOM 0 HZ3 LYS A 70 -9.287 -7.243 2.750 1.00 2.89 H new ATOM 1099 N PHE A 71 -9.380 -2.485 -1.327 1.00 0.59 N ATOM 1100 CA PHE A 71 -9.745 -1.527 -2.358 1.00 0.69 C ATOM 1101 C PHE A 71 -10.337 -2.289 -3.543 1.00 0.80 C ATOM 1102 O PHE A 71 -11.513 -2.122 -3.854 1.00 1.14 O ATOM 1103 CB PHE A 71 -8.528 -0.696 -2.807 1.00 0.80 C ATOM 1104 CG PHE A 71 -7.671 -0.002 -1.757 1.00 1.22 C ATOM 1105 CD1 PHE A 71 -8.011 0.036 -0.390 1.00 2.63 C ATOM 1106 CD2 PHE A 71 -6.543 0.710 -2.201 1.00 2.13 C ATOM 1107 CE1 PHE A 71 -7.190 0.724 0.522 1.00 3.25 C ATOM 1108 CE2 PHE A 71 -5.770 1.464 -1.303 1.00 2.69 C ATOM 1109 CZ PHE A 71 -6.092 1.468 0.061 1.00 2.80 C ATOM 0 H PHE A 71 -8.427 -2.837 -1.422 1.00 0.59 H new ATOM 0 HA PHE A 71 -10.481 -0.831 -1.955 1.00 0.69 H new ATOM 0 HB2 PHE A 71 -7.875 -1.355 -3.380 1.00 0.80 H new ATOM 0 HB3 PHE A 71 -8.889 0.070 -3.493 1.00 0.80 H new ATOM 0 HD1 PHE A 71 -8.903 -0.464 -0.042 1.00 2.63 H new ATOM 0 HD2 PHE A 71 -6.268 0.677 -3.245 1.00 2.13 H new ATOM 0 HE1 PHE A 71 -7.405 0.680 1.579 1.00 3.25 H new ATOM 0 HE2 PHE A 71 -4.930 2.039 -1.663 1.00 2.69 H new ATOM 0 HZ PHE A 71 -5.497 2.042 0.756 1.00 2.80 H new ATOM 1119 N GLU A 72 -9.509 -3.115 -4.195 1.00 0.69 N ATOM 1120 CA GLU A 72 -9.841 -3.808 -5.430 1.00 0.90 C ATOM 1121 C GLU A 72 -9.800 -5.310 -5.152 1.00 1.20 C ATOM 1122 O GLU A 72 -8.745 -5.844 -4.812 1.00 2.53 O ATOM 1123 CB GLU A 72 -8.831 -3.427 -6.531 1.00 0.84 C ATOM 1124 CG GLU A 72 -9.468 -3.345 -7.922 1.00 0.98 C ATOM 1125 CD GLU A 72 -10.036 -1.957 -8.183 1.00 2.01 C ATOM 1126 OE1 GLU A 72 -11.174 -1.719 -7.732 1.00 3.00 O ATOM 1127 OE2 GLU A 72 -9.305 -1.162 -8.813 1.00 3.08 O ATOM 0 H GLU A 72 -8.567 -3.320 -3.863 1.00 0.69 H new ATOM 0 HA GLU A 72 -10.835 -3.525 -5.776 1.00 0.90 H new ATOM 0 HB2 GLU A 72 -8.380 -2.465 -6.286 1.00 0.84 H new ATOM 0 HB3 GLU A 72 -8.026 -4.162 -6.548 1.00 0.84 H new ATOM 0 HG2 GLU A 72 -8.724 -3.585 -8.681 1.00 0.98 H new ATOM 0 HG3 GLU A 72 -10.261 -4.088 -8.007 1.00 0.98 H new ATOM 1134 N SER A 73 -10.919 -6.014 -5.333 1.00 1.09 N ATOM 1135 CA SER A 73 -11.015 -7.453 -5.114 1.00 1.10 C ATOM 1136 C SER A 73 -9.885 -8.224 -5.806 1.00 1.20 C ATOM 1137 O SER A 73 -9.420 -9.240 -5.295 1.00 2.28 O ATOM 1138 CB SER A 73 -12.384 -7.923 -5.617 1.00 1.29 C ATOM 1139 OG SER A 73 -12.699 -7.286 -6.844 1.00 2.19 O ATOM 0 H SER A 73 -11.795 -5.592 -5.640 1.00 1.09 H new ATOM 0 HA SER A 73 -10.911 -7.656 -4.048 1.00 1.10 H new ATOM 0 HB2 SER A 73 -12.379 -9.005 -5.751 1.00 1.29 H new ATOM 0 HB3 SER A 73 -13.150 -7.698 -4.875 1.00 1.29 H new ATOM 0 HG SER A 73 -13.575 -7.595 -7.157 1.00 2.19 H new ATOM 1145 N GLY A 74 -9.461 -7.732 -6.973 1.00 1.02 N ATOM 1146 CA GLY A 74 -8.419 -8.324 -7.796 1.00 1.04 C ATOM 1147 C GLY A 74 -7.179 -7.438 -7.825 1.00 0.95 C ATOM 1148 O GLY A 74 -6.521 -7.339 -8.859 1.00 1.10 O ATOM 0 H GLY A 74 -9.851 -6.881 -7.379 1.00 1.02 H new ATOM 0 HA2 GLY A 74 -8.158 -9.308 -7.407 1.00 1.04 H new ATOM 0 HA3 GLY A 74 -8.790 -8.470 -8.810 1.00 1.04 H new ATOM 1152 N ALA A 75 -6.853 -6.791 -6.701 1.00 0.95 N ATOM 1153 CA ALA A 75 -5.575 -6.111 -6.564 1.00 1.02 C ATOM 1154 C ALA A 75 -4.418 -7.117 -6.632 1.00 1.10 C ATOM 1155 O ALA A 75 -4.623 -8.327 -6.742 1.00 1.69 O ATOM 1156 CB ALA A 75 -5.548 -5.278 -5.284 1.00 1.11 C ATOM 0 H ALA A 75 -7.457 -6.728 -5.881 1.00 0.95 H new ATOM 0 HA ALA A 75 -5.447 -5.422 -7.399 1.00 1.02 H new ATOM 0 HB1 ALA A 75 -4.585 -4.776 -5.197 1.00 1.11 H new ATOM 0 HB2 ALA A 75 -6.344 -4.534 -5.317 1.00 1.11 H new ATOM 0 HB3 ALA A 75 -5.697 -5.929 -4.423 1.00 1.11 H new ATOM 1162 N ARG A 76 -3.187 -6.611 -6.608 1.00 0.74 N ATOM 1163 CA ARG A 76 -2.000 -7.356 -6.972 1.00 0.70 C ATOM 1164 C ARG A 76 -1.438 -8.235 -5.859 1.00 0.59 C ATOM 1165 O ARG A 76 -0.376 -8.819 -6.037 1.00 0.74 O ATOM 1166 CB ARG A 76 -0.914 -6.362 -7.381 1.00 0.84 C ATOM 1167 CG ARG A 76 -0.051 -7.008 -8.458 1.00 0.87 C ATOM 1168 CD ARG A 76 -0.543 -6.632 -9.867 1.00 1.16 C ATOM 1169 NE ARG A 76 -0.122 -5.277 -10.260 1.00 2.45 N ATOM 1170 CZ ARG A 76 -0.826 -4.136 -10.223 1.00 4.13 C ATOM 1171 NH1 ARG A 76 -2.096 -4.124 -9.803 1.00 5.08 N ATOM 1172 NH2 ARG A 76 -0.250 -3.007 -10.634 1.00 5.19 N ATOM 0 H ARG A 76 -2.990 -5.650 -6.328 1.00 0.74 H new ATOM 0 HA ARG A 76 -2.294 -8.024 -7.781 1.00 0.70 H new ATOM 0 HB2 ARG A 76 -1.363 -5.443 -7.756 1.00 0.84 H new ATOM 0 HB3 ARG A 76 -0.305 -6.090 -6.519 1.00 0.84 H new ATOM 0 HG2 ARG A 76 0.985 -6.692 -8.336 1.00 0.87 H new ATOM 0 HG3 ARG A 76 -0.069 -8.092 -8.341 1.00 0.87 H new ATOM 0 HD2 ARG A 76 -0.159 -7.353 -10.588 1.00 1.16 H new ATOM 0 HD3 ARG A 76 -1.631 -6.696 -9.899 1.00 1.16 H new ATOM 0 HE ARG A 76 0.834 -5.195 -10.607 1.00 2.45 H new ATOM 0 HH11 ARG A 76 -2.543 -4.991 -9.505 1.00 5.08 H new ATOM 0 HH12 ARG A 76 -2.618 -3.248 -9.781 1.00 5.08 H new ATOM 0 HH21 ARG A 76 0.713 -3.019 -10.970 1.00 5.19 H new ATOM 0 HH22 ARG A 76 -0.772 -2.131 -10.612 1.00 5.19 H new ATOM 1186 N GLU A 77 -2.101 -8.302 -4.713 1.00 0.70 N ATOM 1187 CA GLU A 77 -1.527 -8.788 -3.464 1.00 0.63 C ATOM 1188 C GLU A 77 -0.935 -10.201 -3.595 1.00 0.46 C ATOM 1189 O GLU A 77 -0.021 -10.590 -2.873 1.00 0.50 O ATOM 1190 CB GLU A 77 -2.583 -8.680 -2.356 1.00 0.78 C ATOM 1191 CG GLU A 77 -3.512 -7.459 -2.491 1.00 1.17 C ATOM 1192 CD GLU A 77 -2.783 -6.177 -2.859 1.00 2.03 C ATOM 1193 OE1 GLU A 77 -2.221 -5.544 -1.946 1.00 3.03 O ATOM 1194 OE2 GLU A 77 -2.830 -5.842 -4.062 1.00 3.05 O ATOM 0 H GLU A 77 -3.075 -8.014 -4.623 1.00 0.70 H new ATOM 0 HA GLU A 77 -0.677 -8.160 -3.196 1.00 0.63 H new ATOM 0 HB2 GLU A 77 -3.189 -9.586 -2.357 1.00 0.78 H new ATOM 0 HB3 GLU A 77 -2.078 -8.634 -1.391 1.00 0.78 H new ATOM 0 HG2 GLU A 77 -4.266 -7.669 -3.250 1.00 1.17 H new ATOM 0 HG3 GLU A 77 -4.040 -7.309 -1.549 1.00 1.17 H new ATOM 1201 N LEU A 78 -1.472 -10.968 -4.545 1.00 0.39 N ATOM 1202 CA LEU A 78 -0.992 -12.285 -4.934 1.00 0.41 C ATOM 1203 C LEU A 78 0.438 -12.237 -5.504 1.00 0.51 C ATOM 1204 O LEU A 78 1.237 -13.123 -5.211 1.00 0.71 O ATOM 1205 CB LEU A 78 -1.945 -12.948 -5.947 1.00 0.51 C ATOM 1206 CG LEU A 78 -3.461 -12.884 -5.660 1.00 0.72 C ATOM 1207 CD1 LEU A 78 -3.833 -12.907 -4.170 1.00 0.82 C ATOM 1208 CD2 LEU A 78 -4.132 -11.717 -6.399 1.00 0.88 C ATOM 0 H LEU A 78 -2.286 -10.672 -5.083 1.00 0.39 H new ATOM 0 HA LEU A 78 -0.968 -12.889 -4.027 1.00 0.41 H new ATOM 0 HB2 LEU A 78 -1.769 -12.491 -6.921 1.00 0.51 H new ATOM 0 HB3 LEU A 78 -1.665 -13.998 -6.033 1.00 0.51 H new ATOM 0 HG LEU A 78 -3.861 -13.815 -6.061 1.00 0.72 H new ATOM 0 HD11 LEU A 78 -4.917 -12.858 -4.065 1.00 0.82 H new ATOM 0 HD12 LEU A 78 -3.465 -13.828 -3.717 1.00 0.82 H new ATOM 0 HD13 LEU A 78 -3.381 -12.051 -3.669 1.00 0.82 H new ATOM 0 HD21 LEU A 78 -5.198 -11.707 -6.171 1.00 0.88 H new ATOM 0 HD22 LEU A 78 -3.683 -10.777 -6.078 1.00 0.88 H new ATOM 0 HD23 LEU A 78 -3.992 -11.838 -7.473 1.00 0.88 H new ATOM 1220 N THR A 79 0.767 -11.243 -6.342 1.00 0.56 N ATOM 1221 CA THR A 79 2.122 -11.053 -6.850 1.00 0.80 C ATOM 1222 C THR A 79 3.045 -10.729 -5.682 1.00 0.69 C ATOM 1223 O THR A 79 3.074 -9.597 -5.187 1.00 0.61 O ATOM 1224 CB THR A 79 2.219 -9.928 -7.896 1.00 1.08 C ATOM 1225 OG1 THR A 79 1.499 -10.235 -9.066 1.00 1.16 O ATOM 1226 CG2 THR A 79 3.662 -9.738 -8.375 1.00 1.50 C ATOM 0 H THR A 79 0.098 -10.552 -6.683 1.00 0.56 H new ATOM 0 HA THR A 79 2.417 -11.978 -7.345 1.00 0.80 H new ATOM 0 HB THR A 79 1.825 -9.042 -7.398 1.00 1.08 H new ATOM 0 HG1 THR A 79 1.583 -9.497 -9.705 1.00 1.16 H new ATOM 0 HG21 THR A 79 3.698 -8.937 -9.113 1.00 1.50 H new ATOM 0 HG22 THR A 79 4.296 -9.479 -7.527 1.00 1.50 H new ATOM 0 HG23 THR A 79 4.020 -10.663 -8.826 1.00 1.50 H new ATOM 1234 N GLU A 80 3.865 -11.707 -5.309 1.00 0.76 N ATOM 1235 CA GLU A 80 4.873 -11.516 -4.288 1.00 0.78 C ATOM 1236 C GLU A 80 5.798 -10.358 -4.660 1.00 0.86 C ATOM 1237 O GLU A 80 6.164 -9.593 -3.783 1.00 0.77 O ATOM 1238 CB GLU A 80 5.620 -12.816 -3.983 1.00 0.98 C ATOM 1239 CG GLU A 80 6.371 -13.406 -5.183 1.00 2.37 C ATOM 1240 CD GLU A 80 7.159 -14.638 -4.760 1.00 2.46 C ATOM 1241 OE1 GLU A 80 8.119 -14.446 -3.984 1.00 3.06 O ATOM 1242 OE2 GLU A 80 6.777 -15.740 -5.207 1.00 2.94 O ATOM 0 H GLU A 80 3.845 -12.646 -5.707 1.00 0.76 H new ATOM 0 HA GLU A 80 4.380 -11.238 -3.357 1.00 0.78 H new ATOM 0 HB2 GLU A 80 6.331 -12.633 -3.178 1.00 0.98 H new ATOM 0 HB3 GLU A 80 4.907 -13.554 -3.616 1.00 0.98 H new ATOM 0 HG2 GLU A 80 5.664 -13.671 -5.969 1.00 2.37 H new ATOM 0 HG3 GLU A 80 7.047 -12.660 -5.600 1.00 2.37 H new ATOM 1249 N SER A 81 6.143 -10.179 -5.938 1.00 1.07 N ATOM 1250 CA SER A 81 6.950 -9.062 -6.404 1.00 1.23 C ATOM 1251 C SER A 81 6.422 -7.713 -5.893 1.00 1.03 C ATOM 1252 O SER A 81 7.063 -7.107 -5.038 1.00 0.85 O ATOM 1253 CB SER A 81 7.083 -9.121 -7.932 1.00 1.53 C ATOM 1254 OG SER A 81 6.889 -10.453 -8.377 1.00 2.16 O ATOM 0 H SER A 81 5.863 -10.817 -6.683 1.00 1.07 H new ATOM 0 HA SER A 81 7.951 -9.151 -5.982 1.00 1.23 H new ATOM 0 HB2 SER A 81 6.350 -8.462 -8.396 1.00 1.53 H new ATOM 0 HB3 SER A 81 8.068 -8.766 -8.235 1.00 1.53 H new ATOM 0 HG SER A 81 6.973 -10.487 -9.353 1.00 2.16 H new ATOM 1260 N GLU A 82 5.260 -7.238 -6.369 1.00 1.15 N ATOM 1261 CA GLU A 82 4.695 -5.979 -5.898 1.00 1.09 C ATOM 1262 C GLU A 82 4.570 -5.982 -4.380 1.00 0.74 C ATOM 1263 O GLU A 82 4.979 -5.016 -3.731 1.00 0.80 O ATOM 1264 CB GLU A 82 3.321 -5.684 -6.511 1.00 1.43 C ATOM 1265 CG GLU A 82 3.331 -5.610 -8.044 1.00 1.80 C ATOM 1266 CD GLU A 82 2.290 -4.631 -8.603 1.00 3.28 C ATOM 1267 OE1 GLU A 82 1.427 -4.170 -7.827 1.00 4.66 O ATOM 1268 OE2 GLU A 82 2.307 -4.388 -9.831 1.00 3.92 O ATOM 0 H GLU A 82 4.700 -7.711 -7.078 1.00 1.15 H new ATOM 0 HA GLU A 82 5.383 -5.196 -6.217 1.00 1.09 H new ATOM 0 HB2 GLU A 82 2.620 -6.458 -6.198 1.00 1.43 H new ATOM 0 HB3 GLU A 82 2.951 -4.739 -6.113 1.00 1.43 H new ATOM 0 HG2 GLU A 82 4.323 -5.309 -8.381 1.00 1.80 H new ATOM 0 HG3 GLU A 82 3.143 -6.603 -8.452 1.00 1.80 H new ATOM 1275 N THR A 83 4.006 -7.061 -3.817 1.00 0.54 N ATOM 1276 CA THR A 83 3.750 -7.101 -2.387 1.00 0.49 C ATOM 1277 C THR A 83 5.056 -6.814 -1.626 1.00 0.53 C ATOM 1278 O THR A 83 5.120 -5.943 -0.757 1.00 0.65 O ATOM 1279 CB THR A 83 3.079 -8.430 -1.955 1.00 0.50 C ATOM 1280 OG1 THR A 83 1.718 -8.191 -1.689 1.00 0.61 O ATOM 1281 CG2 THR A 83 3.653 -9.088 -0.692 1.00 0.66 C ATOM 0 H THR A 83 3.726 -7.899 -4.327 1.00 0.54 H new ATOM 0 HA THR A 83 3.032 -6.321 -2.132 1.00 0.49 H new ATOM 0 HB THR A 83 3.261 -9.110 -2.787 1.00 0.50 H new ATOM 0 HG1 THR A 83 1.180 -8.925 -2.053 1.00 0.61 H new ATOM 0 HG21 THR A 83 3.110 -10.009 -0.483 1.00 0.66 H new ATOM 0 HG22 THR A 83 4.708 -9.316 -0.848 1.00 0.66 H new ATOM 0 HG23 THR A 83 3.550 -8.406 0.152 1.00 0.66 H new ATOM 1289 N LYS A 84 6.112 -7.555 -1.969 1.00 0.47 N ATOM 1290 CA LYS A 84 7.407 -7.493 -1.321 1.00 0.48 C ATOM 1291 C LYS A 84 8.098 -6.172 -1.645 1.00 0.52 C ATOM 1292 O LYS A 84 8.796 -5.670 -0.779 1.00 0.60 O ATOM 1293 CB LYS A 84 8.309 -8.686 -1.695 1.00 0.51 C ATOM 1294 CG LYS A 84 7.754 -10.091 -1.390 1.00 2.00 C ATOM 1295 CD LYS A 84 8.164 -10.754 -0.064 1.00 2.48 C ATOM 1296 CE LYS A 84 7.518 -10.141 1.185 1.00 4.03 C ATOM 1297 NZ LYS A 84 8.298 -9.013 1.731 1.00 5.02 N ATOM 0 H LYS A 84 6.080 -8.233 -2.730 1.00 0.47 H new ATOM 0 HA LYS A 84 7.235 -7.552 -0.246 1.00 0.48 H new ATOM 0 HB2 LYS A 84 8.525 -8.629 -2.762 1.00 0.51 H new ATOM 0 HB3 LYS A 84 9.258 -8.573 -1.171 1.00 0.51 H new ATOM 0 HG2 LYS A 84 6.666 -10.033 -1.412 1.00 2.00 H new ATOM 0 HG3 LYS A 84 8.055 -10.753 -2.202 1.00 2.00 H new ATOM 0 HD2 LYS A 84 7.906 -11.812 -0.108 1.00 2.48 H new ATOM 0 HD3 LYS A 84 9.248 -10.694 0.037 1.00 2.48 H new ATOM 0 HE2 LYS A 84 6.513 -9.798 0.939 1.00 4.03 H new ATOM 0 HE3 LYS A 84 7.414 -10.910 1.950 1.00 4.03 H new ATOM 0 HZ1 LYS A 84 7.675 -8.401 2.295 1.00 5.02 H new ATOM 0 HZ2 LYS A 84 9.062 -9.379 2.334 1.00 5.02 H new ATOM 0 HZ3 LYS A 84 8.707 -8.463 0.949 1.00 5.02 H new ATOM 1311 N SER A 85 7.933 -5.605 -2.843 1.00 0.50 N ATOM 1312 CA SER A 85 8.458 -4.286 -3.178 1.00 0.54 C ATOM 1313 C SER A 85 7.852 -3.213 -2.271 1.00 0.52 C ATOM 1314 O SER A 85 8.588 -2.402 -1.707 1.00 0.63 O ATOM 1315 CB SER A 85 8.202 -3.960 -4.653 1.00 0.56 C ATOM 1316 OG SER A 85 8.920 -4.854 -5.479 1.00 1.23 O ATOM 0 H SER A 85 7.429 -6.053 -3.608 1.00 0.50 H new ATOM 0 HA SER A 85 9.536 -4.297 -3.014 1.00 0.54 H new ATOM 0 HB2 SER A 85 7.136 -4.029 -4.869 1.00 0.56 H new ATOM 0 HB3 SER A 85 8.504 -2.934 -4.865 1.00 0.56 H new ATOM 0 HG SER A 85 8.469 -5.724 -5.489 1.00 1.23 H new ATOM 1322 N LEU A 86 6.519 -3.206 -2.114 1.00 0.45 N ATOM 1323 CA LEU A 86 5.874 -2.317 -1.152 1.00 0.48 C ATOM 1324 C LEU A 86 6.516 -2.543 0.212 1.00 0.48 C ATOM 1325 O LEU A 86 7.075 -1.611 0.791 1.00 0.52 O ATOM 1326 CB LEU A 86 4.357 -2.557 -1.083 1.00 0.52 C ATOM 1327 CG LEU A 86 3.658 -1.581 -0.112 1.00 1.48 C ATOM 1328 CD1 LEU A 86 3.217 -0.296 -0.818 1.00 2.00 C ATOM 1329 CD2 LEU A 86 2.435 -2.254 0.513 1.00 3.27 C ATOM 0 H LEU A 86 5.878 -3.802 -2.638 1.00 0.45 H new ATOM 0 HA LEU A 86 6.014 -1.284 -1.470 1.00 0.48 H new ATOM 0 HB2 LEU A 86 3.927 -2.447 -2.079 1.00 0.52 H new ATOM 0 HB3 LEU A 86 4.167 -3.582 -0.765 1.00 0.52 H new ATOM 0 HG LEU A 86 4.379 -1.317 0.662 1.00 1.48 H new ATOM 0 HD11 LEU A 86 2.730 0.364 -0.101 1.00 2.00 H new ATOM 0 HD12 LEU A 86 4.089 0.205 -1.239 1.00 2.00 H new ATOM 0 HD13 LEU A 86 2.519 -0.542 -1.618 1.00 2.00 H new ATOM 0 HD21 LEU A 86 1.947 -1.559 1.197 1.00 3.27 H new ATOM 0 HD22 LEU A 86 1.736 -2.541 -0.273 1.00 3.27 H new ATOM 0 HD23 LEU A 86 2.749 -3.142 1.061 1.00 3.27 H new ATOM 1341 N MET A 87 6.438 -3.784 0.704 1.00 0.47 N ATOM 1342 CA MET A 87 6.983 -4.153 2.001 1.00 0.51 C ATOM 1343 C MET A 87 8.421 -3.639 2.184 1.00 0.53 C ATOM 1344 O MET A 87 8.736 -3.008 3.185 1.00 0.63 O ATOM 1345 CB MET A 87 6.890 -5.677 2.158 1.00 0.60 C ATOM 1346 CG MET A 87 6.463 -6.107 3.560 1.00 1.26 C ATOM 1347 SD MET A 87 6.028 -7.859 3.624 1.00 2.47 S ATOM 1348 CE MET A 87 6.465 -8.233 5.327 1.00 3.61 C ATOM 0 H MET A 87 5.993 -4.557 0.208 1.00 0.47 H new ATOM 0 HA MET A 87 6.397 -3.678 2.788 1.00 0.51 H new ATOM 0 HB2 MET A 87 6.179 -6.069 1.431 1.00 0.60 H new ATOM 0 HB3 MET A 87 7.859 -6.120 1.927 1.00 0.60 H new ATOM 0 HG2 MET A 87 7.272 -5.908 4.263 1.00 1.26 H new ATOM 0 HG3 MET A 87 5.609 -5.509 3.879 1.00 1.26 H new ATOM 0 HE1 MET A 87 6.192 -9.263 5.555 1.00 3.61 H new ATOM 0 HE2 MET A 87 7.539 -8.104 5.464 1.00 3.61 H new ATOM 0 HE3 MET A 87 5.930 -7.559 5.996 1.00 3.61 H new ATOM 1358 N ALA A 88 9.285 -3.910 1.206 1.00 0.51 N ATOM 1359 CA ALA A 88 10.716 -3.650 1.229 1.00 0.54 C ATOM 1360 C ALA A 88 11.007 -2.186 1.534 1.00 0.52 C ATOM 1361 O ALA A 88 11.799 -1.893 2.424 1.00 0.68 O ATOM 1362 CB ALA A 88 11.339 -4.060 -0.111 1.00 0.56 C ATOM 0 H ALA A 88 8.985 -4.340 0.331 1.00 0.51 H new ATOM 0 HA ALA A 88 11.163 -4.245 2.026 1.00 0.54 H new ATOM 0 HB1 ALA A 88 12.411 -3.863 -0.089 1.00 0.56 H new ATOM 0 HB2 ALA A 88 11.168 -5.123 -0.281 1.00 0.56 H new ATOM 0 HB3 ALA A 88 10.881 -3.485 -0.916 1.00 0.56 H new ATOM 1368 N ALA A 89 10.386 -1.265 0.793 1.00 0.39 N ATOM 1369 CA ALA A 89 10.580 0.149 1.073 1.00 0.41 C ATOM 1370 C ALA A 89 9.835 0.543 2.339 1.00 0.39 C ATOM 1371 O ALA A 89 10.409 1.209 3.193 1.00 0.48 O ATOM 1372 CB ALA A 89 10.116 1.005 -0.095 1.00 0.51 C ATOM 0 H ALA A 89 9.760 -1.471 0.014 1.00 0.39 H new ATOM 0 HA ALA A 89 11.646 0.321 1.220 1.00 0.41 H new ATOM 0 HB1 ALA A 89 10.272 2.058 0.141 1.00 0.51 H new ATOM 0 HB2 ALA A 89 10.686 0.744 -0.986 1.00 0.51 H new ATOM 0 HB3 ALA A 89 9.056 0.828 -0.278 1.00 0.51 H new ATOM 1378 N ALA A 90 8.554 0.166 2.441 1.00 0.37 N ATOM 1379 CA ALA A 90 7.705 0.493 3.584 1.00 0.39 C ATOM 1380 C ALA A 90 8.393 0.167 4.906 1.00 0.39 C ATOM 1381 O ALA A 90 8.165 0.840 5.907 1.00 0.56 O ATOM 1382 CB ALA A 90 6.395 -0.286 3.496 1.00 0.39 C ATOM 0 H ALA A 90 8.077 -0.380 1.723 1.00 0.37 H new ATOM 0 HA ALA A 90 7.508 1.565 3.554 1.00 0.39 H new ATOM 0 HB1 ALA A 90 5.766 -0.038 4.351 1.00 0.39 H new ATOM 0 HB2 ALA A 90 5.876 -0.022 2.575 1.00 0.39 H new ATOM 0 HB3 ALA A 90 6.607 -1.355 3.499 1.00 0.39 H new ATOM 1388 N ASP A 91 9.195 -0.895 4.907 1.00 0.31 N ATOM 1389 CA ASP A 91 9.922 -1.364 6.057 1.00 0.31 C ATOM 1390 C ASP A 91 11.204 -0.551 6.315 1.00 0.39 C ATOM 1391 O ASP A 91 12.186 -0.688 5.589 1.00 0.89 O ATOM 1392 CB ASP A 91 10.255 -2.836 5.816 1.00 0.37 C ATOM 1393 CG ASP A 91 11.113 -3.337 6.940 1.00 0.56 C ATOM 1394 OD1 ASP A 91 10.919 -2.817 8.054 1.00 1.18 O ATOM 1395 OD2 ASP A 91 11.973 -4.201 6.696 1.00 0.93 O ATOM 0 H ASP A 91 9.354 -1.463 4.075 1.00 0.31 H new ATOM 0 HA ASP A 91 9.306 -1.241 6.948 1.00 0.31 H new ATOM 0 HB2 ASP A 91 9.339 -3.423 5.752 1.00 0.37 H new ATOM 0 HB3 ASP A 91 10.775 -2.953 4.865 1.00 0.37 H new ATOM 1400 N ASN A 92 11.259 0.215 7.408 1.00 1.01 N ATOM 1401 CA ASN A 92 12.440 0.985 7.806 1.00 1.23 C ATOM 1402 C ASN A 92 13.491 0.116 8.519 1.00 0.99 C ATOM 1403 O ASN A 92 14.152 0.603 9.435 1.00 1.40 O ATOM 1404 CB ASN A 92 12.033 2.130 8.751 1.00 2.03 C ATOM 1405 CG ASN A 92 11.193 3.226 8.113 1.00 1.49 C ATOM 1406 OD1 ASN A 92 10.011 3.038 7.859 1.00 2.54 O ATOM 1407 ND2 ASN A 92 11.789 4.397 7.908 1.00 2.10 N ATOM 0 H ASN A 92 10.473 0.319 8.050 1.00 1.01 H new ATOM 0 HA ASN A 92 12.881 1.379 6.890 1.00 1.23 H new ATOM 0 HB2 ASN A 92 11.477 1.709 9.589 1.00 2.03 H new ATOM 0 HB3 ASN A 92 12.937 2.579 9.162 1.00 2.03 H new ATOM 0 HD21 ASN A 92 11.258 5.179 7.526 1.00 2.10 H new ATOM 0 HD22 ASN A 92 12.777 4.513 8.133 1.00 2.10 H new ATOM 1414 N ASP A 93 13.673 -1.153 8.136 1.00 0.85 N ATOM 1415 CA ASP A 93 14.572 -2.062 8.853 1.00 1.10 C ATOM 1416 C ASP A 93 15.313 -2.995 7.899 1.00 1.20 C ATOM 1417 O ASP A 93 16.534 -3.119 7.969 1.00 1.44 O ATOM 1418 CB ASP A 93 13.793 -2.928 9.855 1.00 1.16 C ATOM 1419 CG ASP A 93 13.248 -2.175 11.059 1.00 1.24 C ATOM 1420 OD1 ASP A 93 13.996 -2.025 12.045 1.00 1.94 O ATOM 1421 OD2 ASP A 93 12.042 -1.830 10.997 1.00 0.95 O ATOM 0 H ASP A 93 13.208 -1.574 7.331 1.00 0.85 H new ATOM 0 HA ASP A 93 15.292 -1.433 9.377 1.00 1.10 H new ATOM 0 HB2 ASP A 93 12.962 -3.403 9.334 1.00 1.16 H new ATOM 0 HB3 ASP A 93 14.446 -3.726 10.208 1.00 1.16 H new ATOM 1426 N GLY A 94 14.562 -3.723 7.074 1.00 1.12 N ATOM 1427 CA GLY A 94 14.978 -5.014 6.553 1.00 1.28 C ATOM 1428 C GLY A 94 14.549 -6.116 7.529 1.00 1.17 C ATOM 1429 O GLY A 94 15.300 -7.065 7.753 1.00 1.44 O ATOM 0 H GLY A 94 13.642 -3.427 6.749 1.00 1.12 H new ATOM 0 HA2 GLY A 94 14.531 -5.185 5.574 1.00 1.28 H new ATOM 0 HA3 GLY A 94 16.059 -5.033 6.417 1.00 1.28 H new ATOM 1433 N ASP A 95 13.340 -5.996 8.093 1.00 0.81 N ATOM 1434 CA ASP A 95 12.649 -7.018 8.865 1.00 0.78 C ATOM 1435 C ASP A 95 11.404 -7.467 8.104 1.00 0.72 C ATOM 1436 O ASP A 95 11.315 -8.620 7.685 1.00 0.93 O ATOM 1437 CB ASP A 95 12.363 -6.587 10.322 1.00 0.73 C ATOM 1438 CG ASP A 95 11.613 -5.282 10.608 1.00 0.81 C ATOM 1439 OD1 ASP A 95 10.763 -4.798 9.831 1.00 1.68 O ATOM 1440 OD2 ASP A 95 11.787 -4.773 11.728 1.00 1.90 O ATOM 0 H ASP A 95 12.796 -5.137 8.015 1.00 0.81 H new ATOM 0 HA ASP A 95 13.308 -7.879 8.974 1.00 0.78 H new ATOM 0 HB2 ASP A 95 11.800 -7.393 10.792 1.00 0.73 H new ATOM 0 HB3 ASP A 95 13.323 -6.527 10.835 1.00 0.73 H new ATOM 1445 N GLY A 96 10.445 -6.564 7.927 1.00 0.53 N ATOM 1446 CA GLY A 96 9.176 -6.823 7.275 1.00 0.62 C ATOM 1447 C GLY A 96 8.013 -6.339 8.132 1.00 0.60 C ATOM 1448 O GLY A 96 6.996 -5.913 7.593 1.00 0.84 O ATOM 0 H GLY A 96 10.538 -5.600 8.246 1.00 0.53 H new ATOM 0 HA2 GLY A 96 9.152 -6.323 6.307 1.00 0.62 H new ATOM 0 HA3 GLY A 96 9.072 -7.891 7.085 1.00 0.62 H new ATOM 1452 N LYS A 97 8.147 -6.398 9.463 1.00 0.53 N ATOM 1453 CA LYS A 97 7.143 -5.840 10.356 1.00 0.72 C ATOM 1454 C LYS A 97 7.089 -4.328 10.104 1.00 0.58 C ATOM 1455 O LYS A 97 8.123 -3.657 10.183 1.00 0.59 O ATOM 1456 CB LYS A 97 7.424 -6.238 11.821 1.00 0.88 C ATOM 1457 CG LYS A 97 8.555 -5.450 12.498 1.00 2.72 C ATOM 1458 CD LYS A 97 8.946 -6.040 13.863 1.00 3.00 C ATOM 1459 CE LYS A 97 9.968 -5.164 14.617 1.00 4.95 C ATOM 1460 NZ LYS A 97 11.370 -5.426 14.227 1.00 5.65 N ATOM 0 H LYS A 97 8.942 -6.827 9.937 1.00 0.53 H new ATOM 0 HA LYS A 97 6.153 -6.248 10.154 1.00 0.72 H new ATOM 0 HB2 LYS A 97 6.510 -6.105 12.400 1.00 0.88 H new ATOM 0 HB3 LYS A 97 7.670 -7.299 11.853 1.00 0.88 H new ATOM 0 HG2 LYS A 97 9.428 -5.441 11.846 1.00 2.72 H new ATOM 0 HG3 LYS A 97 8.244 -4.414 12.629 1.00 2.72 H new ATOM 0 HD2 LYS A 97 8.051 -6.156 14.474 1.00 3.00 H new ATOM 0 HD3 LYS A 97 9.364 -7.036 13.718 1.00 3.00 H new ATOM 0 HE2 LYS A 97 9.739 -4.114 14.435 1.00 4.95 H new ATOM 0 HE3 LYS A 97 9.859 -5.333 15.688 1.00 4.95 H new ATOM 0 HZ1 LYS A 97 11.980 -4.669 14.596 1.00 5.65 H new ATOM 0 HZ2 LYS A 97 11.675 -6.339 14.620 1.00 5.65 H new ATOM 0 HZ3 LYS A 97 11.442 -5.454 13.190 1.00 5.65 H new ATOM 1474 N ILE A 98 5.920 -3.808 9.732 1.00 0.69 N ATOM 1475 CA ILE A 98 5.715 -2.426 9.310 1.00 0.52 C ATOM 1476 C ILE A 98 4.646 -1.820 10.210 1.00 0.53 C ATOM 1477 O ILE A 98 3.517 -2.309 10.229 1.00 0.71 O ATOM 1478 CB ILE A 98 5.297 -2.420 7.828 1.00 0.47 C ATOM 1479 CG1 ILE A 98 6.522 -2.671 6.939 1.00 0.47 C ATOM 1480 CG2 ILE A 98 4.623 -1.111 7.386 1.00 0.51 C ATOM 1481 CD1 ILE A 98 6.119 -3.348 5.631 1.00 0.50 C ATOM 0 H ILE A 98 5.061 -4.358 9.716 1.00 0.69 H new ATOM 0 HA ILE A 98 6.624 -1.831 9.400 1.00 0.52 H new ATOM 0 HB ILE A 98 4.562 -3.217 7.717 1.00 0.47 H new ATOM 0 HG12 ILE A 98 7.020 -1.726 6.725 1.00 0.47 H new ATOM 0 HG13 ILE A 98 7.239 -3.296 7.470 1.00 0.47 H new ATOM 0 HG21 ILE A 98 4.355 -1.178 6.331 1.00 0.51 H new ATOM 0 HG22 ILE A 98 3.723 -0.947 7.979 1.00 0.51 H new ATOM 0 HG23 ILE A 98 5.312 -0.279 7.534 1.00 0.51 H new ATOM 0 HD11 ILE A 98 7.006 -3.515 5.019 1.00 0.50 H new ATOM 0 HD12 ILE A 98 5.643 -4.304 5.848 1.00 0.50 H new ATOM 0 HD13 ILE A 98 5.420 -2.709 5.091 1.00 0.50 H new ATOM 1493 N GLY A 99 5.004 -0.772 10.956 1.00 0.60 N ATOM 1494 CA GLY A 99 4.063 0.008 11.743 1.00 0.63 C ATOM 1495 C GLY A 99 3.427 1.113 10.896 1.00 0.54 C ATOM 1496 O GLY A 99 3.824 1.349 9.753 1.00 0.41 O ATOM 0 H GLY A 99 5.967 -0.443 11.027 1.00 0.60 H new ATOM 0 HA2 GLY A 99 3.285 -0.645 12.140 1.00 0.63 H new ATOM 0 HA3 GLY A 99 4.576 0.449 12.598 1.00 0.63 H new ATOM 1500 N ALA A 100 2.450 1.823 11.473 1.00 0.69 N ATOM 1501 CA ALA A 100 1.820 2.958 10.813 1.00 0.69 C ATOM 1502 C ALA A 100 2.863 4.022 10.521 1.00 0.64 C ATOM 1503 O ALA A 100 2.867 4.592 9.438 1.00 0.61 O ATOM 1504 CB ALA A 100 0.699 3.542 11.674 1.00 0.87 C ATOM 0 H ALA A 100 2.081 1.624 12.403 1.00 0.69 H new ATOM 0 HA ALA A 100 1.381 2.613 9.877 1.00 0.69 H new ATOM 0 HB1 ALA A 100 0.246 4.388 11.157 1.00 0.87 H new ATOM 0 HB2 ALA A 100 -0.058 2.778 11.853 1.00 0.87 H new ATOM 0 HB3 ALA A 100 1.109 3.876 12.627 1.00 0.87 H new ATOM 1510 N GLU A 101 3.752 4.265 11.485 1.00 0.70 N ATOM 1511 CA GLU A 101 4.846 5.202 11.342 1.00 0.70 C ATOM 1512 C GLU A 101 5.705 4.813 10.137 1.00 0.52 C ATOM 1513 O GLU A 101 5.816 5.603 9.203 1.00 0.58 O ATOM 1514 CB GLU A 101 5.627 5.266 12.659 1.00 0.81 C ATOM 1515 CG GLU A 101 4.740 5.855 13.766 1.00 1.54 C ATOM 1516 CD GLU A 101 5.328 5.601 15.144 1.00 1.53 C ATOM 1517 OE1 GLU A 101 5.104 4.476 15.640 1.00 2.13 O ATOM 1518 OE2 GLU A 101 5.976 6.528 15.673 1.00 2.19 O ATOM 0 H GLU A 101 3.724 3.806 12.396 1.00 0.70 H new ATOM 0 HA GLU A 101 4.477 6.208 11.142 1.00 0.70 H new ATOM 0 HB2 GLU A 101 5.962 4.268 12.942 1.00 0.81 H new ATOM 0 HB3 GLU A 101 6.520 5.878 12.533 1.00 0.81 H new ATOM 0 HG2 GLU A 101 4.626 6.928 13.610 1.00 1.54 H new ATOM 0 HG3 GLU A 101 3.744 5.416 13.708 1.00 1.54 H new ATOM 1525 N GLU A 102 6.239 3.581 10.126 1.00 0.38 N ATOM 1526 CA GLU A 102 7.023 3.072 9.004 1.00 0.28 C ATOM 1527 C GLU A 102 6.285 3.332 7.678 1.00 0.30 C ATOM 1528 O GLU A 102 6.830 3.913 6.737 1.00 0.34 O ATOM 1529 CB GLU A 102 7.347 1.569 9.170 1.00 0.27 C ATOM 1530 CG GLU A 102 8.147 1.171 10.428 1.00 0.50 C ATOM 1531 CD GLU A 102 8.803 -0.209 10.300 1.00 0.49 C ATOM 1532 OE1 GLU A 102 9.504 -0.494 9.311 1.00 1.20 O ATOM 1533 OE2 GLU A 102 8.668 -1.089 11.176 1.00 1.31 O ATOM 0 H GLU A 102 6.137 2.917 10.894 1.00 0.38 H new ATOM 0 HA GLU A 102 7.973 3.607 8.987 1.00 0.28 H new ATOM 0 HB2 GLU A 102 6.408 1.016 9.174 1.00 0.27 H new ATOM 0 HB3 GLU A 102 7.906 1.242 8.293 1.00 0.27 H new ATOM 0 HG2 GLU A 102 8.917 1.919 10.615 1.00 0.50 H new ATOM 0 HG3 GLU A 102 7.483 1.174 11.292 1.00 0.50 H new ATOM 1540 N PHE A 103 5.010 2.930 7.619 1.00 0.30 N ATOM 1541 CA PHE A 103 4.217 3.057 6.403 1.00 0.37 C ATOM 1542 C PHE A 103 4.072 4.522 5.973 1.00 0.46 C ATOM 1543 O PHE A 103 4.379 4.878 4.839 1.00 0.55 O ATOM 1544 CB PHE A 103 2.851 2.381 6.598 1.00 0.44 C ATOM 1545 CG PHE A 103 2.176 1.991 5.298 1.00 0.95 C ATOM 1546 CD1 PHE A 103 2.744 0.969 4.515 1.00 1.83 C ATOM 1547 CD2 PHE A 103 0.998 2.627 4.863 1.00 2.32 C ATOM 1548 CE1 PHE A 103 2.156 0.597 3.296 1.00 2.15 C ATOM 1549 CE2 PHE A 103 0.391 2.233 3.655 1.00 2.84 C ATOM 1550 CZ PHE A 103 0.976 1.225 2.867 1.00 2.21 C ATOM 0 H PHE A 103 4.510 2.514 8.404 1.00 0.30 H new ATOM 0 HA PHE A 103 4.740 2.548 5.593 1.00 0.37 H new ATOM 0 HB2 PHE A 103 2.980 1.490 7.212 1.00 0.44 H new ATOM 0 HB3 PHE A 103 2.196 3.056 7.149 1.00 0.44 H new ATOM 0 HD1 PHE A 103 3.638 0.468 4.854 1.00 1.83 H new ATOM 0 HD2 PHE A 103 0.560 3.417 5.455 1.00 2.32 H new ATOM 0 HE1 PHE A 103 2.611 -0.172 2.689 1.00 2.15 H new ATOM 0 HE2 PHE A 103 -0.525 2.705 3.333 1.00 2.84 H new ATOM 0 HZ PHE A 103 0.518 0.935 1.933 1.00 2.21 H new ATOM 1560 N GLN A 104 3.592 5.374 6.881 1.00 0.51 N ATOM 1561 CA GLN A 104 3.342 6.792 6.661 1.00 0.60 C ATOM 1562 C GLN A 104 4.621 7.511 6.237 1.00 0.63 C ATOM 1563 O GLN A 104 4.564 8.294 5.296 1.00 0.78 O ATOM 1564 CB GLN A 104 2.742 7.390 7.934 1.00 0.69 C ATOM 1565 CG GLN A 104 2.273 8.829 7.708 1.00 0.90 C ATOM 1566 CD GLN A 104 1.393 9.271 8.869 1.00 1.36 C ATOM 1567 OE1 GLN A 104 0.172 9.229 8.778 1.00 2.64 O ATOM 1568 NE2 GLN A 104 1.995 9.681 9.980 1.00 1.82 N ATOM 0 H GLN A 104 3.358 5.078 7.829 1.00 0.51 H new ATOM 0 HA GLN A 104 2.630 6.921 5.846 1.00 0.60 H new ATOM 0 HB2 GLN A 104 1.901 6.779 8.263 1.00 0.69 H new ATOM 0 HB3 GLN A 104 3.484 7.369 8.732 1.00 0.69 H new ATOM 0 HG2 GLN A 104 3.133 9.492 7.618 1.00 0.90 H new ATOM 0 HG3 GLN A 104 1.719 8.898 6.772 1.00 0.90 H new ATOM 0 HE21 GLN A 104 3.014 9.706 10.029 1.00 1.82 H new ATOM 0 HE22 GLN A 104 1.439 9.971 10.784 1.00 1.82 H new ATOM 1577 N GLU A 105 5.760 7.264 6.898 1.00 0.56 N ATOM 1578 CA GLU A 105 7.040 7.832 6.483 1.00 0.59 C ATOM 1579 C GLU A 105 7.256 7.606 4.989 1.00 0.56 C ATOM 1580 O GLU A 105 7.516 8.545 4.238 1.00 0.64 O ATOM 1581 CB GLU A 105 8.204 7.179 7.235 1.00 0.63 C ATOM 1582 CG GLU A 105 8.409 7.710 8.656 1.00 0.73 C ATOM 1583 CD GLU A 105 9.619 7.047 9.303 1.00 1.97 C ATOM 1584 OE1 GLU A 105 10.519 6.634 8.536 1.00 2.82 O ATOM 1585 OE2 GLU A 105 9.631 6.972 10.549 1.00 3.16 O ATOM 0 H GLU A 105 5.816 6.671 7.726 1.00 0.56 H new ATOM 0 HA GLU A 105 7.012 8.898 6.709 1.00 0.59 H new ATOM 0 HB2 GLU A 105 8.034 6.103 7.282 1.00 0.63 H new ATOM 0 HB3 GLU A 105 9.121 7.332 6.666 1.00 0.63 H new ATOM 0 HG2 GLU A 105 8.549 8.791 8.630 1.00 0.73 H new ATOM 0 HG3 GLU A 105 7.518 7.518 9.254 1.00 0.73 H new ATOM 1592 N MET A 106 7.159 6.346 4.567 1.00 0.47 N ATOM 1593 CA MET A 106 7.394 6.002 3.179 1.00 0.48 C ATOM 1594 C MET A 106 6.336 6.651 2.291 1.00 0.55 C ATOM 1595 O MET A 106 6.675 7.359 1.347 1.00 0.60 O ATOM 1596 CB MET A 106 7.453 4.479 3.018 1.00 0.52 C ATOM 1597 CG MET A 106 8.780 4.074 2.371 1.00 1.16 C ATOM 1598 SD MET A 106 10.300 4.475 3.273 1.00 3.05 S ATOM 1599 CE MET A 106 9.938 3.770 4.891 1.00 4.58 C ATOM 0 H MET A 106 6.921 5.556 5.167 1.00 0.47 H new ATOM 0 HA MET A 106 8.360 6.393 2.859 1.00 0.48 H new ATOM 0 HB2 MET A 106 7.351 3.998 3.991 1.00 0.52 H new ATOM 0 HB3 MET A 106 6.620 4.137 2.404 1.00 0.52 H new ATOM 0 HG2 MET A 106 8.760 2.997 2.206 1.00 1.16 H new ATOM 0 HG3 MET A 106 8.835 4.546 1.390 1.00 1.16 H new ATOM 0 HE1 MET A 106 10.846 3.338 5.311 1.00 4.58 H new ATOM 0 HE2 MET A 106 9.568 4.552 5.554 1.00 4.58 H new ATOM 0 HE3 MET A 106 9.180 2.993 4.788 1.00 4.58 H new ATOM 1609 N VAL A 107 5.059 6.440 2.610 1.00 0.65 N ATOM 1610 CA VAL A 107 3.941 6.991 1.857 1.00 0.77 C ATOM 1611 C VAL A 107 4.060 8.507 1.699 1.00 1.02 C ATOM 1612 O VAL A 107 3.714 9.028 0.646 1.00 1.37 O ATOM 1613 CB VAL A 107 2.606 6.572 2.492 1.00 0.60 C ATOM 1614 CG1 VAL A 107 1.435 7.360 1.894 1.00 0.68 C ATOM 1615 CG2 VAL A 107 2.347 5.079 2.250 1.00 0.56 C ATOM 0 H VAL A 107 4.772 5.874 3.409 1.00 0.65 H new ATOM 0 HA VAL A 107 3.969 6.576 0.849 1.00 0.77 H new ATOM 0 HB VAL A 107 2.677 6.779 3.560 1.00 0.60 H new ATOM 0 HG11 VAL A 107 0.504 7.041 2.363 1.00 0.68 H new ATOM 0 HG12 VAL A 107 1.585 8.425 2.072 1.00 0.68 H new ATOM 0 HG13 VAL A 107 1.382 7.175 0.821 1.00 0.68 H new ATOM 0 HG21 VAL A 107 1.398 4.796 2.705 1.00 0.56 H new ATOM 0 HG22 VAL A 107 2.307 4.886 1.178 1.00 0.56 H new ATOM 0 HG23 VAL A 107 3.152 4.493 2.695 1.00 0.56 H new ATOM 1625 N HIS A 108 4.540 9.207 2.728 1.00 0.98 N ATOM 1626 CA HIS A 108 4.696 10.650 2.752 1.00 1.17 C ATOM 1627 C HIS A 108 5.717 11.097 1.699 1.00 1.51 C ATOM 1628 O HIS A 108 5.749 12.273 1.338 1.00 1.76 O ATOM 1629 CB HIS A 108 5.110 11.065 4.176 1.00 1.38 C ATOM 1630 CG HIS A 108 5.682 12.451 4.327 1.00 1.91 C ATOM 1631 ND1 HIS A 108 7.009 12.783 4.174 1.00 3.30 N ATOM 1632 CD2 HIS A 108 5.025 13.566 4.775 1.00 2.22 C ATOM 1633 CE1 HIS A 108 7.144 14.077 4.512 1.00 3.39 C ATOM 1634 NE2 HIS A 108 5.964 14.596 4.892 1.00 2.54 N ATOM 0 H HIS A 108 4.840 8.762 3.596 1.00 0.98 H new ATOM 0 HA HIS A 108 3.756 11.142 2.500 1.00 1.17 H new ATOM 0 HB2 HIS A 108 4.237 10.982 4.824 1.00 1.38 H new ATOM 0 HB3 HIS A 108 5.847 10.349 4.541 1.00 1.38 H new ATOM 0 HD2 HIS A 108 3.971 13.637 4.998 1.00 2.22 H new ATOM 0 HE1 HIS A 108 8.074 14.625 4.482 1.00 3.39 H new ATOM 0 HE2 HIS A 108 5.788 15.551 5.204 1.00 2.54 H new ATOM 1642 N SER A 109 6.590 10.182 1.267 1.00 1.58 N ATOM 1643 CA SER A 109 7.632 10.486 0.307 1.00 1.92 C ATOM 1644 C SER A 109 7.096 10.603 -1.127 1.00 2.71 C ATOM 1645 O SER A 109 5.877 10.415 -1.340 1.00 3.70 O ATOM 1646 CB SER A 109 8.741 9.430 0.363 1.00 1.55 C ATOM 1647 OG SER A 109 9.829 9.867 -0.427 1.00 1.92 O ATOM 1648 OXT SER A 109 7.958 10.826 -2.009 1.00 3.59 O ATOM 0 H SER A 109 6.586 9.211 1.579 1.00 1.58 H new ATOM 0 HA SER A 109 8.039 11.458 0.585 1.00 1.92 H new ATOM 0 HB2 SER A 109 9.062 9.274 1.393 1.00 1.55 H new ATOM 0 HB3 SER A 109 8.369 8.473 -0.003 1.00 1.55 H new ATOM 0 HG SER A 109 9.491 10.348 -1.212 1.00 1.92 H new