USER MOD reduce.3.24.130724 H: found=0, std=0, add=800, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 799 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 53 ASN : amide:sc= 1.06 K(o=1.9,f=-14!) USER MOD Set 1.2: A 70 LYS NZ :NH3+ 156:sc= 0.843 (180deg=-1.22) USER MOD Set 2.1: A 8 SER OG : rot -169:sc= -0.182 USER MOD Set 2.2: A 39 MET CE :methyl 168:sc= -0.285 (180deg=-0.0938) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -116:sc= 1.63 (180deg=-0.417) USER MOD Single : A 2 SER OG : rot 180:sc=-0.00646 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 GLN :FLIP amide:sc= 0 F(o=-0.54,f=0) USER MOD Single : A 19 CYS SG : rot -144:sc= 1.37 USER MOD Single : A 24 THR OG1 : rot 89:sc= 0.704 USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 LYS NZ :NH3+ 160:sc= 0.82 (180deg=-0.153) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 THR OG1 : rot 160:sc= 0 USER MOD Single : A 34 SER OG : rot -34:sc= 0.0547 USER MOD Single : A 37 SER OG : rot 130:sc=-0.00875 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0.0113 USER MOD Single : A 42 ASN : amide:sc= -0.233 X(o=-0.23,f=-0.28) USER MOD Single : A 43 GLN : amide:sc= -0.151 X(o=-0.15,f=-0.15) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= 1.08 K(o=1.1,f=-0.76) USER MOD Single : A 56 SER OG : rot -132:sc= 1.19 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ -134:sc= 1.14 (180deg=0.89) USER MOD Single : A 69 GLN : amide:sc= 0.759 K(o=0.76,f=-5.3!) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot -110:sc= 0.0135 USER MOD Single : A 81 SER OG : rot 180:sc= 0.097 USER MOD Single : A 83 THR OG1 : rot 180:sc= -0.0201 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot -165:sc= 0.935 USER MOD Single : A 87 MET CE :methyl -179:sc= 0 (180deg=-0.00412) USER MOD Single : A 92 ASN : amide:sc= -0.238 K(o=-0.24,f=-3.2!) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 106 MET CE :methyl 166:sc= 0 (180deg=-0.375) USER MOD Single : A 108 HIS : no HD1:sc= -0.374 X(o=-0.37,f=-0.47) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -17.996 6.520 4.393 1.00 4.89 N ATOM 2 CA MET A 1 -17.136 6.883 3.255 1.00 3.84 C ATOM 3 C MET A 1 -16.010 5.867 3.248 1.00 2.47 C ATOM 4 O MET A 1 -15.864 5.155 4.242 1.00 2.29 O ATOM 5 CB MET A 1 -16.582 8.316 3.370 1.00 5.48 C ATOM 6 CG MET A 1 -17.680 9.352 3.647 1.00 6.79 C ATOM 7 SD MET A 1 -18.235 9.393 5.373 1.00 8.47 S ATOM 8 CE MET A 1 -19.821 10.236 5.206 1.00 9.21 C ATOM 0 H1 MET A 1 -18.935 6.240 4.043 1.00 4.89 H new ATOM 0 H2 MET A 1 -17.569 5.726 4.911 1.00 4.89 H new ATOM 0 H3 MET A 1 -18.093 7.337 5.029 1.00 4.89 H new ATOM 0 HA MET A 1 -17.706 6.868 2.326 1.00 3.84 H new ATOM 0 HB2 MET A 1 -15.843 8.353 4.170 1.00 5.48 H new ATOM 0 HB3 MET A 1 -16.066 8.577 2.446 1.00 5.48 H new ATOM 0 HG2 MET A 1 -17.311 10.340 3.371 1.00 6.79 H new ATOM 0 HG3 MET A 1 -18.536 9.140 3.006 1.00 6.79 H new ATOM 0 HE1 MET A 1 -20.285 10.336 6.187 1.00 9.21 H new ATOM 0 HE2 MET A 1 -19.664 11.225 4.776 1.00 9.21 H new ATOM 0 HE3 MET A 1 -20.474 9.657 4.553 1.00 9.21 H new ATOM 20 N SER A 2 -15.246 5.791 2.166 1.00 1.90 N ATOM 21 CA SER A 2 -14.051 4.979 2.088 1.00 1.15 C ATOM 22 C SER A 2 -13.191 5.591 0.995 1.00 1.01 C ATOM 23 O SER A 2 -13.621 6.521 0.316 1.00 1.47 O ATOM 24 CB SER A 2 -14.399 3.518 1.782 1.00 2.00 C ATOM 25 OG SER A 2 -13.225 2.726 1.832 1.00 2.72 O ATOM 0 H SER A 2 -15.448 6.302 1.307 1.00 1.90 H new ATOM 0 HA SER A 2 -13.516 4.967 3.038 1.00 1.15 H new ATOM 0 HB2 SER A 2 -15.129 3.149 2.503 1.00 2.00 H new ATOM 0 HB3 SER A 2 -14.858 3.442 0.796 1.00 2.00 H new ATOM 0 HG SER A 2 -13.452 1.793 1.638 1.00 2.72 H new ATOM 31 N ILE A 3 -12.001 5.038 0.804 1.00 0.70 N ATOM 32 CA ILE A 3 -10.997 5.539 -0.126 1.00 0.65 C ATOM 33 C ILE A 3 -11.548 5.570 -1.557 1.00 0.68 C ATOM 34 O ILE A 3 -11.150 6.388 -2.391 1.00 0.73 O ATOM 35 CB ILE A 3 -9.719 4.697 0.016 1.00 0.70 C ATOM 36 CG1 ILE A 3 -9.812 3.332 -0.686 1.00 0.96 C ATOM 37 CG2 ILE A 3 -9.404 4.479 1.503 1.00 0.67 C ATOM 38 CD1 ILE A 3 -9.141 3.349 -2.062 1.00 1.40 C ATOM 0 H ILE A 3 -11.698 4.204 1.307 1.00 0.70 H new ATOM 0 HA ILE A 3 -10.740 6.571 0.114 1.00 0.65 H new ATOM 0 HB ILE A 3 -8.921 5.257 -0.471 1.00 0.70 H new ATOM 0 HG12 ILE A 3 -9.342 2.571 -0.063 1.00 0.96 H new ATOM 0 HG13 ILE A 3 -10.859 3.052 -0.797 1.00 0.96 H new ATOM 0 HG21 ILE A 3 -8.497 3.882 1.599 1.00 0.67 H new ATOM 0 HG22 ILE A 3 -9.256 5.443 1.989 1.00 0.67 H new ATOM 0 HG23 ILE A 3 -10.235 3.957 1.978 1.00 0.67 H new ATOM 0 HD11 ILE A 3 -9.230 2.365 -2.522 1.00 1.40 H new ATOM 0 HD12 ILE A 3 -9.628 4.091 -2.695 1.00 1.40 H new ATOM 0 HD13 ILE A 3 -8.087 3.603 -1.950 1.00 1.40 H new ATOM 50 N THR A 4 -12.506 4.677 -1.812 1.00 0.76 N ATOM 51 CA THR A 4 -13.200 4.512 -3.062 1.00 0.96 C ATOM 52 C THR A 4 -14.108 5.708 -3.378 1.00 0.97 C ATOM 53 O THR A 4 -14.618 5.814 -4.490 1.00 1.39 O ATOM 54 CB THR A 4 -13.946 3.169 -2.976 1.00 1.23 C ATOM 55 OG1 THR A 4 -13.881 2.561 -4.230 1.00 1.33 O ATOM 56 CG2 THR A 4 -15.390 3.257 -2.477 1.00 1.88 C ATOM 0 H THR A 4 -12.826 4.019 -1.102 1.00 0.76 H new ATOM 0 HA THR A 4 -12.505 4.487 -3.902 1.00 0.96 H new ATOM 0 HB THR A 4 -13.447 2.570 -2.214 1.00 1.23 H new ATOM 0 HG1 THR A 4 -14.349 1.700 -4.201 1.00 1.33 H new ATOM 0 HG21 THR A 4 -15.828 2.259 -2.452 1.00 1.88 H new ATOM 0 HG22 THR A 4 -15.403 3.684 -1.474 1.00 1.88 H new ATOM 0 HG23 THR A 4 -15.969 3.891 -3.149 1.00 1.88 H new ATOM 64 N ASP A 5 -14.311 6.600 -2.401 1.00 0.93 N ATOM 65 CA ASP A 5 -15.226 7.723 -2.474 1.00 1.03 C ATOM 66 C ASP A 5 -14.553 8.985 -1.912 1.00 1.05 C ATOM 67 O ASP A 5 -15.218 9.824 -1.308 1.00 1.69 O ATOM 68 CB ASP A 5 -16.480 7.323 -1.679 1.00 1.18 C ATOM 69 CG ASP A 5 -17.670 8.250 -1.881 1.00 1.69 C ATOM 70 OD1 ASP A 5 -17.774 8.835 -2.979 1.00 2.41 O ATOM 71 OD2 ASP A 5 -18.488 8.302 -0.935 1.00 2.56 O ATOM 0 H ASP A 5 -13.820 6.549 -1.509 1.00 0.93 H new ATOM 0 HA ASP A 5 -15.505 7.958 -3.501 1.00 1.03 H new ATOM 0 HB2 ASP A 5 -16.769 6.311 -1.964 1.00 1.18 H new ATOM 0 HB3 ASP A 5 -16.231 7.296 -0.618 1.00 1.18 H new ATOM 76 N VAL A 6 -13.224 9.118 -2.077 1.00 0.68 N ATOM 77 CA VAL A 6 -12.512 10.358 -1.718 1.00 0.75 C ATOM 78 C VAL A 6 -11.696 10.925 -2.882 1.00 0.68 C ATOM 79 O VAL A 6 -11.854 12.087 -3.246 1.00 0.73 O ATOM 80 CB VAL A 6 -11.669 10.231 -0.428 1.00 0.94 C ATOM 81 CG1 VAL A 6 -12.485 9.687 0.748 1.00 2.11 C ATOM 82 CG2 VAL A 6 -10.386 9.402 -0.567 1.00 2.59 C ATOM 0 H VAL A 6 -12.624 8.385 -2.455 1.00 0.68 H new ATOM 0 HA VAL A 6 -13.294 11.084 -1.495 1.00 0.75 H new ATOM 0 HB VAL A 6 -11.364 11.258 -0.230 1.00 0.94 H new ATOM 0 HG11 VAL A 6 -11.849 9.616 1.630 1.00 2.11 H new ATOM 0 HG12 VAL A 6 -13.318 10.359 0.954 1.00 2.11 H new ATOM 0 HG13 VAL A 6 -12.869 8.698 0.498 1.00 2.11 H new ATOM 0 HG21 VAL A 6 -9.866 9.373 0.391 1.00 2.59 H new ATOM 0 HG22 VAL A 6 -10.640 8.387 -0.873 1.00 2.59 H new ATOM 0 HG23 VAL A 6 -9.739 9.856 -1.317 1.00 2.59 H new ATOM 92 N LEU A 7 -10.791 10.117 -3.434 1.00 0.63 N ATOM 93 CA LEU A 7 -9.818 10.518 -4.443 1.00 0.63 C ATOM 94 C LEU A 7 -9.152 9.235 -4.922 1.00 0.62 C ATOM 95 O LEU A 7 -9.276 8.872 -6.089 1.00 0.57 O ATOM 96 CB LEU A 7 -8.784 11.501 -3.853 1.00 0.69 C ATOM 97 CG LEU A 7 -7.685 11.908 -4.853 1.00 0.81 C ATOM 98 CD1 LEU A 7 -8.200 12.914 -5.888 1.00 1.08 C ATOM 99 CD2 LEU A 7 -6.484 12.503 -4.108 1.00 1.43 C ATOM 0 H LEU A 7 -10.715 9.132 -3.180 1.00 0.63 H new ATOM 0 HA LEU A 7 -10.297 11.042 -5.270 1.00 0.63 H new ATOM 0 HB2 LEU A 7 -9.301 12.397 -3.509 1.00 0.69 H new ATOM 0 HB3 LEU A 7 -8.319 11.046 -2.979 1.00 0.69 H new ATOM 0 HG LEU A 7 -7.378 11.007 -5.384 1.00 0.81 H new ATOM 0 HD11 LEU A 7 -7.394 13.175 -6.574 1.00 1.08 H new ATOM 0 HD12 LEU A 7 -9.024 12.471 -6.448 1.00 1.08 H new ATOM 0 HD13 LEU A 7 -8.549 13.813 -5.380 1.00 1.08 H new ATOM 0 HD21 LEU A 7 -5.714 12.786 -4.826 1.00 1.43 H new ATOM 0 HD22 LEU A 7 -6.802 13.384 -3.550 1.00 1.43 H new ATOM 0 HD23 LEU A 7 -6.081 11.762 -3.418 1.00 1.43 H new ATOM 111 N SER A 8 -8.529 8.525 -3.971 1.00 0.70 N ATOM 112 CA SER A 8 -7.754 7.317 -4.192 1.00 0.64 C ATOM 113 C SER A 8 -8.393 6.353 -5.179 1.00 0.59 C ATOM 114 O SER A 8 -7.671 5.713 -5.920 1.00 0.54 O ATOM 115 CB SER A 8 -7.475 6.634 -2.859 1.00 0.71 C ATOM 116 OG SER A 8 -6.835 7.561 -2.009 1.00 1.22 O ATOM 0 H SER A 8 -8.559 8.797 -2.988 1.00 0.70 H new ATOM 0 HA SER A 8 -6.814 7.622 -4.653 1.00 0.64 H new ATOM 0 HB2 SER A 8 -8.405 6.286 -2.409 1.00 0.71 H new ATOM 0 HB3 SER A 8 -6.845 5.757 -3.007 1.00 0.71 H new ATOM 0 HG SER A 8 -6.493 7.096 -1.217 1.00 1.22 H new ATOM 122 N ALA A 9 -9.721 6.225 -5.208 1.00 0.66 N ATOM 123 CA ALA A 9 -10.427 5.451 -6.228 1.00 0.69 C ATOM 124 C ALA A 9 -9.861 5.620 -7.648 1.00 0.58 C ATOM 125 O ALA A 9 -9.691 4.644 -8.378 1.00 0.65 O ATOM 126 CB ALA A 9 -11.898 5.870 -6.225 1.00 0.84 C ATOM 0 H ALA A 9 -10.339 6.658 -4.521 1.00 0.66 H new ATOM 0 HA ALA A 9 -10.299 4.400 -5.970 1.00 0.69 H new ATOM 0 HB1 ALA A 9 -12.440 5.302 -6.981 1.00 0.84 H new ATOM 0 HB2 ALA A 9 -12.330 5.673 -5.244 1.00 0.84 H new ATOM 0 HB3 ALA A 9 -11.974 6.934 -6.448 1.00 0.84 H new ATOM 132 N ASP A 10 -9.586 6.859 -8.053 1.00 0.50 N ATOM 133 CA ASP A 10 -9.034 7.138 -9.371 1.00 0.48 C ATOM 134 C ASP A 10 -7.579 6.659 -9.431 1.00 0.48 C ATOM 135 O ASP A 10 -7.142 5.998 -10.376 1.00 0.58 O ATOM 136 CB ASP A 10 -9.158 8.640 -9.643 1.00 0.50 C ATOM 137 CG ASP A 10 -8.884 8.955 -11.106 1.00 0.61 C ATOM 138 OD1 ASP A 10 -7.693 9.128 -11.441 1.00 1.67 O ATOM 139 OD2 ASP A 10 -9.877 9.027 -11.860 1.00 1.78 O ATOM 0 H ASP A 10 -9.739 7.689 -7.480 1.00 0.50 H new ATOM 0 HA ASP A 10 -9.584 6.602 -10.145 1.00 0.48 H new ATOM 0 HB2 ASP A 10 -10.159 8.980 -9.376 1.00 0.50 H new ATOM 0 HB3 ASP A 10 -8.457 9.186 -9.012 1.00 0.50 H new ATOM 144 N ASP A 11 -6.834 6.950 -8.363 1.00 0.43 N ATOM 145 CA ASP A 11 -5.417 6.666 -8.263 1.00 0.46 C ATOM 146 C ASP A 11 -5.181 5.158 -8.332 1.00 0.44 C ATOM 147 O ASP A 11 -4.315 4.697 -9.068 1.00 0.48 O ATOM 148 CB ASP A 11 -4.854 7.247 -6.964 1.00 0.55 C ATOM 149 CG ASP A 11 -5.038 8.749 -6.819 1.00 1.29 C ATOM 150 OD1 ASP A 11 -6.150 9.134 -6.403 1.00 1.90 O ATOM 151 OD2 ASP A 11 -4.063 9.485 -7.084 1.00 2.55 O ATOM 0 H ASP A 11 -7.215 7.399 -7.530 1.00 0.43 H new ATOM 0 HA ASP A 11 -4.898 7.134 -9.099 1.00 0.46 H new ATOM 0 HB2 ASP A 11 -5.333 6.751 -6.120 1.00 0.55 H new ATOM 0 HB3 ASP A 11 -3.790 7.016 -6.907 1.00 0.55 H new ATOM 156 N ILE A 12 -5.956 4.373 -7.579 1.00 0.50 N ATOM 157 CA ILE A 12 -5.869 2.932 -7.569 1.00 0.65 C ATOM 158 C ILE A 12 -6.116 2.375 -8.970 1.00 0.73 C ATOM 159 O ILE A 12 -5.373 1.505 -9.412 1.00 0.82 O ATOM 160 CB ILE A 12 -6.748 2.299 -6.482 1.00 0.77 C ATOM 161 CG1 ILE A 12 -8.254 2.469 -6.703 1.00 0.75 C ATOM 162 CG2 ILE A 12 -6.300 2.759 -5.088 1.00 0.81 C ATOM 163 CD1 ILE A 12 -9.122 1.704 -5.700 1.00 0.97 C ATOM 0 H ILE A 12 -6.671 4.740 -6.951 1.00 0.50 H new ATOM 0 HA ILE A 12 -4.853 2.649 -7.293 1.00 0.65 H new ATOM 0 HB ILE A 12 -6.593 1.223 -6.555 1.00 0.77 H new ATOM 0 HG12 ILE A 12 -8.501 3.529 -6.647 1.00 0.75 H new ATOM 0 HG13 ILE A 12 -8.503 2.136 -7.711 1.00 0.75 H new ATOM 0 HG21 ILE A 12 -6.936 2.299 -4.331 1.00 0.81 H new ATOM 0 HG22 ILE A 12 -5.265 2.461 -4.922 1.00 0.81 H new ATOM 0 HG23 ILE A 12 -6.381 3.844 -5.019 1.00 0.81 H new ATOM 0 HD11 ILE A 12 -10.175 1.876 -5.924 1.00 0.97 H new ATOM 0 HD12 ILE A 12 -8.906 0.638 -5.770 1.00 0.97 H new ATOM 0 HD13 ILE A 12 -8.904 2.053 -4.690 1.00 0.97 H new ATOM 175 N ALA A 13 -7.097 2.924 -9.695 1.00 0.72 N ATOM 176 CA ALA A 13 -7.368 2.508 -11.063 1.00 0.88 C ATOM 177 C ALA A 13 -6.118 2.693 -11.932 1.00 0.92 C ATOM 178 O ALA A 13 -5.724 1.783 -12.664 1.00 1.09 O ATOM 179 CB ALA A 13 -8.577 3.266 -11.620 1.00 0.90 C ATOM 0 H ALA A 13 -7.714 3.659 -9.350 1.00 0.72 H new ATOM 0 HA ALA A 13 -7.618 1.447 -11.074 1.00 0.88 H new ATOM 0 HB1 ALA A 13 -8.768 2.945 -12.644 1.00 0.90 H new ATOM 0 HB2 ALA A 13 -9.452 3.057 -11.005 1.00 0.90 H new ATOM 0 HB3 ALA A 13 -8.372 4.337 -11.608 1.00 0.90 H new ATOM 185 N ALA A 14 -5.459 3.855 -11.834 1.00 0.78 N ATOM 186 CA ALA A 14 -4.185 4.054 -12.519 1.00 0.85 C ATOM 187 C ALA A 14 -3.152 3.030 -12.048 1.00 0.83 C ATOM 188 O ALA A 14 -2.535 2.350 -12.864 1.00 0.91 O ATOM 189 CB ALA A 14 -3.646 5.470 -12.313 1.00 0.81 C ATOM 0 H ALA A 14 -5.784 4.657 -11.295 1.00 0.78 H new ATOM 0 HA ALA A 14 -4.367 3.914 -13.585 1.00 0.85 H new ATOM 0 HB1 ALA A 14 -2.697 5.578 -12.838 1.00 0.81 H new ATOM 0 HB2 ALA A 14 -4.362 6.192 -12.705 1.00 0.81 H new ATOM 0 HB3 ALA A 14 -3.494 5.650 -11.249 1.00 0.81 H new ATOM 195 N ALA A 15 -2.957 2.918 -10.734 1.00 0.74 N ATOM 196 CA ALA A 15 -1.966 2.058 -10.115 1.00 0.73 C ATOM 197 C ALA A 15 -2.089 0.617 -10.606 1.00 0.92 C ATOM 198 O ALA A 15 -1.102 -0.037 -10.932 1.00 1.03 O ATOM 199 CB ALA A 15 -2.111 2.131 -8.594 1.00 0.63 C ATOM 0 H ALA A 15 -3.506 3.444 -10.054 1.00 0.74 H new ATOM 0 HA ALA A 15 -0.974 2.408 -10.400 1.00 0.73 H new ATOM 0 HB1 ALA A 15 -1.367 1.486 -8.126 1.00 0.63 H new ATOM 0 HB2 ALA A 15 -1.959 3.158 -8.263 1.00 0.63 H new ATOM 0 HB3 ALA A 15 -3.110 1.801 -8.307 1.00 0.63 H new ATOM 205 N LEU A 16 -3.328 0.137 -10.680 1.00 0.97 N ATOM 206 CA LEU A 16 -3.664 -1.178 -11.190 1.00 1.10 C ATOM 207 C LEU A 16 -3.093 -1.326 -12.603 1.00 1.12 C ATOM 208 O LEU A 16 -2.519 -2.356 -12.948 1.00 1.16 O ATOM 209 CB LEU A 16 -5.196 -1.337 -11.146 1.00 1.17 C ATOM 210 CG LEU A 16 -5.781 -2.750 -11.326 1.00 1.79 C ATOM 211 CD1 LEU A 16 -5.524 -3.364 -12.708 1.00 1.84 C ATOM 212 CD2 LEU A 16 -5.330 -3.712 -10.221 1.00 3.70 C ATOM 0 H LEU A 16 -4.143 0.670 -10.378 1.00 0.97 H new ATOM 0 HA LEU A 16 -3.227 -1.970 -10.582 1.00 1.10 H new ATOM 0 HB2 LEU A 16 -5.545 -0.951 -10.188 1.00 1.17 H new ATOM 0 HB3 LEU A 16 -5.620 -0.699 -11.921 1.00 1.17 H new ATOM 0 HG LEU A 16 -6.859 -2.609 -11.245 1.00 1.79 H new ATOM 0 HD11 LEU A 16 -5.968 -4.359 -12.753 1.00 1.84 H new ATOM 0 HD12 LEU A 16 -5.971 -2.732 -13.476 1.00 1.84 H new ATOM 0 HD13 LEU A 16 -4.450 -3.438 -12.879 1.00 1.84 H new ATOM 0 HD21 LEU A 16 -5.769 -4.695 -10.393 1.00 3.70 H new ATOM 0 HD22 LEU A 16 -4.243 -3.793 -10.231 1.00 3.70 H new ATOM 0 HD23 LEU A 16 -5.657 -3.333 -9.253 1.00 3.70 H new ATOM 224 N GLN A 17 -3.237 -0.282 -13.425 1.00 1.12 N ATOM 225 CA GLN A 17 -2.809 -0.314 -14.813 1.00 1.14 C ATOM 226 C GLN A 17 -1.296 -0.155 -14.940 1.00 1.14 C ATOM 227 O GLN A 17 -0.695 -0.808 -15.788 1.00 1.12 O ATOM 228 CB GLN A 17 -3.583 0.726 -15.629 1.00 1.15 C ATOM 229 CG GLN A 17 -4.981 0.168 -15.932 1.00 2.24 C ATOM 230 CD GLN A 17 -5.946 1.184 -16.535 1.00 2.76 C ATOM 231 OE1 GLN A 17 -5.446 2.285 -17.089 1.00 4.14 O flip ATOM 232 NE2 GLN A 17 -7.151 0.963 -16.532 1.00 2.73 N flip ATOM 0 H GLN A 17 -3.654 0.604 -13.140 1.00 1.12 H new ATOM 0 HA GLN A 17 -3.042 -1.295 -15.227 1.00 1.14 H new ATOM 0 HB2 GLN A 17 -3.661 1.661 -15.074 1.00 1.15 H new ATOM 0 HB3 GLN A 17 -3.055 0.949 -16.556 1.00 1.15 H new ATOM 0 HG2 GLN A 17 -4.883 -0.673 -16.618 1.00 2.24 H new ATOM 0 HG3 GLN A 17 -5.412 -0.221 -15.009 1.00 2.24 H new ATOM 0 HE21 GLN A 17 -7.512 0.112 -16.101 1.00 2.73 H new ATOM 0 HE22 GLN A 17 -7.793 1.630 -16.960 1.00 2.73 H new ATOM 241 N GLU A 18 -0.676 0.705 -14.131 1.00 1.21 N ATOM 242 CA GLU A 18 0.766 0.898 -14.183 1.00 1.34 C ATOM 243 C GLU A 18 1.462 -0.398 -13.726 1.00 1.46 C ATOM 244 O GLU A 18 2.323 -0.932 -14.424 1.00 1.70 O ATOM 245 CB GLU A 18 1.144 2.221 -13.484 1.00 1.31 C ATOM 246 CG GLU A 18 1.338 2.197 -11.963 1.00 1.55 C ATOM 247 CD GLU A 18 2.746 1.841 -11.504 1.00 2.48 C ATOM 248 OE1 GLU A 18 3.548 1.405 -12.356 1.00 3.38 O ATOM 249 OE2 GLU A 18 2.994 2.001 -10.290 1.00 3.18 O ATOM 0 H GLU A 18 -1.153 1.277 -13.434 1.00 1.21 H new ATOM 0 HA GLU A 18 1.144 1.048 -15.194 1.00 1.34 H new ATOM 0 HB2 GLU A 18 2.068 2.585 -13.934 1.00 1.31 H new ATOM 0 HB3 GLU A 18 0.369 2.953 -13.711 1.00 1.31 H new ATOM 0 HG2 GLU A 18 1.077 3.176 -11.562 1.00 1.55 H new ATOM 0 HG3 GLU A 18 0.639 1.480 -11.533 1.00 1.55 H new ATOM 256 N CYS A 19 0.975 -1.004 -12.637 1.00 1.39 N ATOM 257 CA CYS A 19 1.461 -2.283 -12.121 1.00 1.51 C ATOM 258 C CYS A 19 0.768 -3.462 -12.818 1.00 1.30 C ATOM 259 O CYS A 19 0.407 -4.447 -12.171 1.00 1.44 O ATOM 260 CB CYS A 19 1.219 -2.356 -10.605 1.00 1.83 C ATOM 261 SG CYS A 19 2.104 -1.047 -9.726 1.00 2.26 S ATOM 0 H CYS A 19 0.217 -0.609 -12.081 1.00 1.39 H new ATOM 0 HA CYS A 19 2.530 -2.350 -12.325 1.00 1.51 H new ATOM 0 HB2 CYS A 19 0.151 -2.274 -10.402 1.00 1.83 H new ATOM 0 HB3 CYS A 19 1.541 -3.328 -10.231 1.00 1.83 H new ATOM 0 HG CYS A 19 2.526 -1.500 -8.583 1.00 2.26 H new ATOM 267 N ARG A 20 0.573 -3.393 -14.141 1.00 1.06 N ATOM 268 CA ARG A 20 -0.057 -4.492 -14.867 1.00 0.95 C ATOM 269 C ARG A 20 0.968 -5.594 -15.062 1.00 0.86 C ATOM 270 O ARG A 20 0.733 -6.748 -14.706 1.00 1.00 O ATOM 271 CB ARG A 20 -0.612 -4.040 -16.228 1.00 0.93 C ATOM 272 CG ARG A 20 -2.143 -3.995 -16.201 1.00 1.35 C ATOM 273 CD ARG A 20 -2.677 -3.355 -17.486 1.00 1.75 C ATOM 274 NE ARG A 20 -4.132 -3.544 -17.608 1.00 3.01 N ATOM 275 CZ ARG A 20 -4.853 -3.194 -18.685 1.00 3.73 C ATOM 276 NH1 ARG A 20 -4.273 -2.511 -19.676 1.00 3.92 N ATOM 277 NH2 ARG A 20 -6.146 -3.534 -18.767 1.00 4.99 N ATOM 0 H ARG A 20 0.840 -2.597 -14.720 1.00 1.06 H new ATOM 0 HA ARG A 20 -0.902 -4.855 -14.282 1.00 0.95 H new ATOM 0 HB2 ARG A 20 -0.219 -3.055 -16.477 1.00 0.93 H new ATOM 0 HB3 ARG A 20 -0.277 -4.724 -17.008 1.00 0.93 H new ATOM 0 HG2 ARG A 20 -2.542 -5.004 -16.096 1.00 1.35 H new ATOM 0 HG3 ARG A 20 -2.482 -3.426 -15.335 1.00 1.35 H new ATOM 0 HD2 ARG A 20 -2.444 -2.290 -17.489 1.00 1.75 H new ATOM 0 HD3 ARG A 20 -2.177 -3.794 -18.349 1.00 1.75 H new ATOM 0 HE ARG A 20 -4.625 -3.969 -16.822 1.00 3.01 H new ATOM 0 HH11 ARG A 20 -3.287 -2.258 -19.612 1.00 3.92 H new ATOM 0 HH12 ARG A 20 -4.816 -2.243 -20.497 1.00 3.92 H new ATOM 0 HH21 ARG A 20 -6.584 -4.060 -18.011 1.00 4.99 H new ATOM 0 HH22 ARG A 20 -6.693 -3.267 -19.586 1.00 4.99 H new ATOM 291 N ASP A 21 2.097 -5.235 -15.667 1.00 0.78 N ATOM 292 CA ASP A 21 3.137 -6.176 -16.027 1.00 0.77 C ATOM 293 C ASP A 21 3.813 -6.699 -14.760 1.00 0.71 C ATOM 294 O ASP A 21 4.005 -5.930 -13.818 1.00 0.64 O ATOM 295 CB ASP A 21 4.126 -5.482 -16.965 1.00 0.80 C ATOM 296 CG ASP A 21 3.659 -5.587 -18.406 1.00 1.24 C ATOM 297 OD1 ASP A 21 3.803 -6.700 -18.958 1.00 2.72 O ATOM 298 OD2 ASP A 21 3.127 -4.576 -18.912 1.00 1.59 O ATOM 0 H ASP A 21 2.311 -4.271 -15.921 1.00 0.78 H new ATOM 0 HA ASP A 21 2.719 -7.035 -16.551 1.00 0.77 H new ATOM 0 HB2 ASP A 21 4.226 -4.433 -16.685 1.00 0.80 H new ATOM 0 HB3 ASP A 21 5.112 -5.935 -16.863 1.00 0.80 H new ATOM 303 N PRO A 22 4.153 -7.995 -14.698 1.00 0.82 N ATOM 304 CA PRO A 22 4.718 -8.589 -13.503 1.00 0.87 C ATOM 305 C PRO A 22 6.071 -7.969 -13.165 1.00 0.86 C ATOM 306 O PRO A 22 6.868 -7.668 -14.051 1.00 1.24 O ATOM 307 CB PRO A 22 4.822 -10.091 -13.784 1.00 1.05 C ATOM 308 CG PRO A 22 4.896 -10.162 -15.310 1.00 1.09 C ATOM 309 CD PRO A 22 4.061 -8.968 -15.773 1.00 0.96 C ATOM 0 HA PRO A 22 4.091 -8.406 -12.630 1.00 0.87 H new ATOM 0 HB2 PRO A 22 5.706 -10.527 -13.318 1.00 1.05 H new ATOM 0 HB3 PRO A 22 3.959 -10.633 -13.398 1.00 1.05 H new ATOM 0 HG2 PRO A 22 5.925 -10.092 -15.664 1.00 1.09 H new ATOM 0 HG3 PRO A 22 4.493 -11.102 -15.687 1.00 1.09 H new ATOM 0 HD2 PRO A 22 4.445 -8.559 -16.708 1.00 0.96 H new ATOM 0 HD3 PRO A 22 3.026 -9.258 -15.953 1.00 0.96 H new ATOM 317 N ASP A 23 6.302 -7.809 -11.862 1.00 0.63 N ATOM 318 CA ASP A 23 7.504 -7.272 -11.246 1.00 0.59 C ATOM 319 C ASP A 23 7.828 -5.847 -11.745 1.00 0.59 C ATOM 320 O ASP A 23 8.991 -5.488 -11.918 1.00 0.94 O ATOM 321 CB ASP A 23 8.667 -8.266 -11.421 1.00 0.71 C ATOM 322 CG ASP A 23 9.810 -8.023 -10.441 1.00 2.25 C ATOM 323 OD1 ASP A 23 9.500 -7.843 -9.242 1.00 3.11 O ATOM 324 OD2 ASP A 23 10.977 -8.111 -10.880 1.00 3.62 O ATOM 0 H ASP A 23 5.604 -8.071 -11.166 1.00 0.63 H new ATOM 0 HA ASP A 23 7.332 -7.157 -10.176 1.00 0.59 H new ATOM 0 HB2 ASP A 23 8.293 -9.281 -11.290 1.00 0.71 H new ATOM 0 HB3 ASP A 23 9.048 -8.196 -12.440 1.00 0.71 H new ATOM 329 N THR A 24 6.794 -5.027 -11.975 1.00 0.46 N ATOM 330 CA THR A 24 6.912 -3.621 -12.393 1.00 0.43 C ATOM 331 C THR A 24 6.670 -2.669 -11.217 1.00 0.46 C ATOM 332 O THR A 24 7.185 -1.543 -11.187 1.00 0.82 O ATOM 333 CB THR A 24 5.914 -3.331 -13.524 1.00 0.47 C ATOM 334 OG1 THR A 24 6.058 -4.303 -14.530 1.00 0.57 O ATOM 335 CG2 THR A 24 6.127 -1.960 -14.175 1.00 0.61 C ATOM 0 H THR A 24 5.825 -5.330 -11.873 1.00 0.46 H new ATOM 0 HA THR A 24 7.927 -3.455 -12.753 1.00 0.43 H new ATOM 0 HB THR A 24 4.921 -3.347 -13.074 1.00 0.47 H new ATOM 0 HG1 THR A 24 5.470 -5.063 -14.337 1.00 0.57 H new ATOM 0 HG21 THR A 24 5.391 -1.815 -14.966 1.00 0.61 H new ATOM 0 HG22 THR A 24 6.011 -1.179 -13.424 1.00 0.61 H new ATOM 0 HG23 THR A 24 7.130 -1.910 -14.599 1.00 0.61 H new ATOM 343 N PHE A 25 5.846 -3.112 -10.266 1.00 0.45 N ATOM 344 CA PHE A 25 5.431 -2.368 -9.092 1.00 0.47 C ATOM 345 C PHE A 25 6.671 -1.874 -8.347 1.00 0.55 C ATOM 346 O PHE A 25 7.533 -2.676 -7.991 1.00 1.12 O ATOM 347 CB PHE A 25 4.582 -3.331 -8.248 1.00 0.69 C ATOM 348 CG PHE A 25 3.615 -2.772 -7.224 1.00 1.02 C ATOM 349 CD1 PHE A 25 4.028 -1.833 -6.264 1.00 1.84 C ATOM 350 CD2 PHE A 25 2.293 -3.265 -7.191 1.00 1.96 C ATOM 351 CE1 PHE A 25 3.101 -1.333 -5.336 1.00 2.30 C ATOM 352 CE2 PHE A 25 1.381 -2.793 -6.238 1.00 2.39 C ATOM 353 CZ PHE A 25 1.786 -1.825 -5.309 1.00 2.20 C ATOM 0 H PHE A 25 5.434 -4.045 -10.302 1.00 0.45 H new ATOM 0 HA PHE A 25 4.842 -1.485 -9.338 1.00 0.47 H new ATOM 0 HB2 PHE A 25 4.007 -3.949 -8.937 1.00 0.69 H new ATOM 0 HB3 PHE A 25 5.268 -3.995 -7.721 1.00 0.69 H new ATOM 0 HD1 PHE A 25 5.054 -1.497 -6.240 1.00 1.84 H new ATOM 0 HD2 PHE A 25 1.982 -4.012 -7.906 1.00 1.96 H new ATOM 0 HE1 PHE A 25 3.401 -0.565 -4.638 1.00 2.30 H new ATOM 0 HE2 PHE A 25 0.370 -3.173 -6.219 1.00 2.39 H new ATOM 0 HZ PHE A 25 1.087 -1.457 -4.572 1.00 2.20 H new ATOM 363 N GLU A 26 6.749 -0.563 -8.098 1.00 0.46 N ATOM 364 CA GLU A 26 7.772 0.065 -7.270 1.00 0.46 C ATOM 365 C GLU A 26 7.081 0.763 -6.102 1.00 0.43 C ATOM 366 O GLU A 26 5.953 1.230 -6.264 1.00 0.41 O ATOM 367 CB GLU A 26 8.523 1.130 -8.068 1.00 0.47 C ATOM 368 CG GLU A 26 9.887 0.691 -8.593 1.00 0.64 C ATOM 369 CD GLU A 26 10.610 1.924 -9.108 1.00 1.23 C ATOM 370 OE1 GLU A 26 10.125 2.433 -10.145 1.00 2.11 O ATOM 371 OE2 GLU A 26 11.540 2.381 -8.417 1.00 2.18 O ATOM 0 H GLU A 26 6.081 0.106 -8.480 1.00 0.46 H new ATOM 0 HA GLU A 26 8.471 -0.698 -6.928 1.00 0.46 H new ATOM 0 HB2 GLU A 26 7.905 1.435 -8.913 1.00 0.47 H new ATOM 0 HB3 GLU A 26 8.657 2.009 -7.438 1.00 0.47 H new ATOM 0 HG2 GLU A 26 10.464 0.213 -7.801 1.00 0.64 H new ATOM 0 HG3 GLU A 26 9.770 -0.043 -9.390 1.00 0.64 H new ATOM 378 N PRO A 27 7.767 0.903 -4.958 1.00 0.44 N ATOM 379 CA PRO A 27 7.224 1.577 -3.798 1.00 0.44 C ATOM 380 C PRO A 27 6.992 3.055 -4.098 1.00 0.41 C ATOM 381 O PRO A 27 5.850 3.496 -4.122 1.00 0.37 O ATOM 382 CB PRO A 27 8.242 1.377 -2.680 1.00 0.52 C ATOM 383 CG PRO A 27 9.558 1.044 -3.389 1.00 0.56 C ATOM 384 CD PRO A 27 9.137 0.471 -4.737 1.00 0.49 C ATOM 0 HA PRO A 27 6.254 1.172 -3.509 1.00 0.44 H new ATOM 0 HB2 PRO A 27 8.339 2.276 -2.071 1.00 0.52 H new ATOM 0 HB3 PRO A 27 7.940 0.570 -2.012 1.00 0.52 H new ATOM 0 HG2 PRO A 27 10.177 1.933 -3.512 1.00 0.56 H new ATOM 0 HG3 PRO A 27 10.144 0.324 -2.818 1.00 0.56 H new ATOM 0 HD2 PRO A 27 9.790 0.830 -5.532 1.00 0.49 H new ATOM 0 HD3 PRO A 27 9.205 -0.617 -4.735 1.00 0.49 H new ATOM 392 N GLN A 28 8.062 3.824 -4.321 1.00 0.53 N ATOM 393 CA GLN A 28 7.976 5.268 -4.515 1.00 0.59 C ATOM 394 C GLN A 28 7.115 5.616 -5.737 1.00 0.60 C ATOM 395 O GLN A 28 6.358 6.585 -5.707 1.00 0.72 O ATOM 396 CB GLN A 28 9.380 5.878 -4.594 1.00 0.65 C ATOM 397 CG GLN A 28 10.082 5.797 -3.229 1.00 0.90 C ATOM 398 CD GLN A 28 11.464 6.441 -3.255 1.00 1.01 C ATOM 399 OE1 GLN A 28 11.698 7.453 -2.606 1.00 1.99 O ATOM 400 NE2 GLN A 28 12.399 5.857 -3.999 1.00 2.17 N ATOM 0 H GLN A 28 9.013 3.458 -4.372 1.00 0.53 H new ATOM 0 HA GLN A 28 7.476 5.708 -3.652 1.00 0.59 H new ATOM 0 HB2 GLN A 28 9.970 5.351 -5.344 1.00 0.65 H new ATOM 0 HB3 GLN A 28 9.313 6.918 -4.914 1.00 0.65 H new ATOM 0 HG2 GLN A 28 9.467 6.290 -2.476 1.00 0.90 H new ATOM 0 HG3 GLN A 28 10.175 4.753 -2.931 1.00 0.90 H new ATOM 0 HE21 GLN A 28 12.176 5.015 -4.529 1.00 2.17 H new ATOM 0 HE22 GLN A 28 13.339 6.251 -4.039 1.00 2.17 H new ATOM 409 N LYS A 29 7.200 4.803 -6.794 1.00 0.54 N ATOM 410 CA LYS A 29 6.331 4.936 -7.956 1.00 0.47 C ATOM 411 C LYS A 29 4.865 4.807 -7.512 1.00 0.41 C ATOM 412 O LYS A 29 4.092 5.761 -7.609 1.00 0.41 O ATOM 413 CB LYS A 29 6.712 3.883 -9.013 1.00 0.50 C ATOM 414 CG LYS A 29 6.070 4.181 -10.373 1.00 0.54 C ATOM 415 CD LYS A 29 5.938 2.955 -11.295 1.00 2.27 C ATOM 416 CE LYS A 29 7.159 2.547 -12.140 1.00 3.40 C ATOM 417 NZ LYS A 29 8.087 1.617 -11.464 1.00 5.16 N ATOM 0 H LYS A 29 7.872 4.039 -6.864 1.00 0.54 H new ATOM 0 HA LYS A 29 6.457 5.918 -8.413 1.00 0.47 H new ATOM 0 HB2 LYS A 29 7.796 3.853 -9.122 1.00 0.50 H new ATOM 0 HB3 LYS A 29 6.399 2.896 -8.672 1.00 0.50 H new ATOM 0 HG2 LYS A 29 5.080 4.605 -10.209 1.00 0.54 H new ATOM 0 HG3 LYS A 29 6.662 4.941 -10.882 1.00 0.54 H new ATOM 0 HD2 LYS A 29 5.660 2.101 -10.677 1.00 2.27 H new ATOM 0 HD3 LYS A 29 5.107 3.138 -11.977 1.00 2.27 H new ATOM 0 HE2 LYS A 29 6.809 2.084 -13.063 1.00 3.40 H new ATOM 0 HE3 LYS A 29 7.707 3.446 -12.422 1.00 3.40 H new ATOM 0 HZ1 LYS A 29 8.673 1.133 -12.174 1.00 5.16 H new ATOM 0 HZ2 LYS A 29 8.700 2.150 -10.814 1.00 5.16 H new ATOM 0 HZ3 LYS A 29 7.542 0.913 -10.927 1.00 5.16 H new ATOM 431 N PHE A 30 4.486 3.623 -7.014 1.00 0.43 N ATOM 432 CA PHE A 30 3.107 3.316 -6.657 1.00 0.45 C ATOM 433 C PHE A 30 2.578 4.325 -5.645 1.00 0.46 C ATOM 434 O PHE A 30 1.472 4.828 -5.766 1.00 0.47 O ATOM 435 CB PHE A 30 3.021 1.902 -6.083 1.00 0.48 C ATOM 436 CG PHE A 30 1.642 1.538 -5.570 1.00 0.58 C ATOM 437 CD1 PHE A 30 1.286 1.812 -4.235 1.00 1.82 C ATOM 438 CD2 PHE A 30 0.717 0.919 -6.427 1.00 2.13 C ATOM 439 CE1 PHE A 30 -0.009 1.519 -3.777 1.00 1.95 C ATOM 440 CE2 PHE A 30 -0.560 0.575 -5.950 1.00 2.19 C ATOM 441 CZ PHE A 30 -0.939 0.921 -4.642 1.00 1.03 C ATOM 0 H PHE A 30 5.134 2.853 -6.849 1.00 0.43 H new ATOM 0 HA PHE A 30 2.493 3.375 -7.556 1.00 0.45 H new ATOM 0 HB2 PHE A 30 3.313 1.188 -6.853 1.00 0.48 H new ATOM 0 HB3 PHE A 30 3.740 1.805 -5.269 1.00 0.48 H new ATOM 0 HD1 PHE A 30 2.010 2.248 -3.563 1.00 1.82 H new ATOM 0 HD2 PHE A 30 0.987 0.708 -7.451 1.00 2.13 H new ATOM 0 HE1 PHE A 30 -0.289 1.753 -2.761 1.00 1.95 H new ATOM 0 HE2 PHE A 30 -1.250 0.044 -6.589 1.00 2.19 H new ATOM 0 HZ PHE A 30 -1.946 0.727 -4.302 1.00 1.03 H new ATOM 451 N PHE A 31 3.382 4.615 -4.631 1.00 0.51 N ATOM 452 CA PHE A 31 3.143 5.588 -3.586 1.00 0.58 C ATOM 453 C PHE A 31 2.526 6.868 -4.157 1.00 0.51 C ATOM 454 O PHE A 31 1.430 7.266 -3.752 1.00 0.61 O ATOM 455 CB PHE A 31 4.496 5.846 -2.914 1.00 0.89 C ATOM 456 CG PHE A 31 4.589 7.097 -2.085 1.00 1.60 C ATOM 457 CD1 PHE A 31 3.574 7.363 -1.163 1.00 2.48 C ATOM 458 CD2 PHE A 31 5.646 8.013 -2.261 1.00 3.30 C ATOM 459 CE1 PHE A 31 3.605 8.553 -0.439 1.00 3.99 C ATOM 460 CE2 PHE A 31 5.748 9.133 -1.416 1.00 4.58 C ATOM 461 CZ PHE A 31 4.735 9.388 -0.478 1.00 4.71 C ATOM 0 H PHE A 31 4.278 4.142 -4.513 1.00 0.51 H new ATOM 0 HA PHE A 31 2.424 5.218 -2.855 1.00 0.58 H new ATOM 0 HB2 PHE A 31 4.732 4.993 -2.278 1.00 0.89 H new ATOM 0 HB3 PHE A 31 5.262 5.888 -3.688 1.00 0.89 H new ATOM 0 HD1 PHE A 31 2.774 6.654 -1.013 1.00 2.48 H new ATOM 0 HD2 PHE A 31 6.375 7.855 -3.042 1.00 3.30 H new ATOM 0 HE1 PHE A 31 2.751 8.837 0.159 1.00 3.99 H new ATOM 0 HE2 PHE A 31 6.600 9.793 -1.488 1.00 4.58 H new ATOM 0 HZ PHE A 31 4.823 10.218 0.207 1.00 4.71 H new ATOM 471 N GLN A 32 3.216 7.491 -5.115 1.00 0.43 N ATOM 472 CA GLN A 32 2.717 8.697 -5.750 1.00 0.46 C ATOM 473 C GLN A 32 1.530 8.359 -6.649 1.00 0.48 C ATOM 474 O GLN A 32 0.508 9.035 -6.579 1.00 0.59 O ATOM 475 CB GLN A 32 3.846 9.433 -6.485 1.00 0.49 C ATOM 476 CG GLN A 32 4.426 10.522 -5.569 1.00 1.41 C ATOM 477 CD GLN A 32 5.683 11.172 -6.137 1.00 1.67 C ATOM 478 OE1 GLN A 32 6.703 11.258 -5.465 1.00 2.96 O ATOM 479 NE2 GLN A 32 5.625 11.650 -7.377 1.00 1.54 N ATOM 0 H GLN A 32 4.121 7.175 -5.463 1.00 0.43 H new ATOM 0 HA GLN A 32 2.353 9.388 -4.990 1.00 0.46 H new ATOM 0 HB2 GLN A 32 4.627 8.729 -6.772 1.00 0.49 H new ATOM 0 HB3 GLN A 32 3.466 9.880 -7.404 1.00 0.49 H new ATOM 0 HG2 GLN A 32 3.670 11.290 -5.403 1.00 1.41 H new ATOM 0 HG3 GLN A 32 4.657 10.086 -4.597 1.00 1.41 H new ATOM 0 HE21 GLN A 32 4.763 11.566 -7.916 1.00 1.54 H new ATOM 0 HE22 GLN A 32 6.442 12.101 -7.789 1.00 1.54 H new ATOM 488 N THR A 33 1.630 7.298 -7.457 1.00 0.44 N ATOM 489 CA THR A 33 0.576 6.894 -8.369 1.00 0.49 C ATOM 490 C THR A 33 -0.756 6.657 -7.654 1.00 0.54 C ATOM 491 O THR A 33 -1.804 6.788 -8.272 1.00 0.72 O ATOM 492 CB THR A 33 1.029 5.663 -9.183 1.00 0.51 C ATOM 493 OG1 THR A 33 0.781 5.948 -10.532 1.00 0.67 O ATOM 494 CG2 THR A 33 0.291 4.363 -8.860 1.00 0.53 C ATOM 0 H THR A 33 2.454 6.697 -7.490 1.00 0.44 H new ATOM 0 HA THR A 33 0.394 7.715 -9.062 1.00 0.49 H new ATOM 0 HB THR A 33 2.078 5.497 -8.936 1.00 0.51 H new ATOM 0 HG1 THR A 33 1.327 5.362 -11.096 1.00 0.67 H new ATOM 0 HG21 THR A 33 0.681 3.559 -9.483 1.00 0.53 H new ATOM 0 HG22 THR A 33 0.439 4.112 -7.810 1.00 0.53 H new ATOM 0 HG23 THR A 33 -0.774 4.490 -9.056 1.00 0.53 H new ATOM 502 N SER A 34 -0.687 6.256 -6.383 1.00 0.48 N ATOM 503 CA SER A 34 -1.802 5.883 -5.535 1.00 0.65 C ATOM 504 C SER A 34 -2.364 7.121 -4.810 1.00 0.77 C ATOM 505 O SER A 34 -3.394 7.045 -4.140 1.00 1.13 O ATOM 506 CB SER A 34 -1.320 4.774 -4.587 1.00 0.74 C ATOM 507 OG SER A 34 -2.385 4.177 -3.873 1.00 1.44 O ATOM 0 H SER A 34 0.206 6.181 -5.897 1.00 0.48 H new ATOM 0 HA SER A 34 -2.635 5.490 -6.118 1.00 0.65 H new ATOM 0 HB2 SER A 34 -0.797 4.009 -5.162 1.00 0.74 H new ATOM 0 HB3 SER A 34 -0.601 5.190 -3.881 1.00 0.74 H new ATOM 0 HG SER A 34 -3.071 4.851 -3.684 1.00 1.44 H new ATOM 513 N GLY A 35 -1.677 8.268 -4.904 1.00 0.58 N ATOM 514 CA GLY A 35 -2.164 9.537 -4.372 1.00 0.67 C ATOM 515 C GLY A 35 -1.904 9.638 -2.872 1.00 0.52 C ATOM 516 O GLY A 35 -2.166 10.663 -2.238 1.00 0.52 O ATOM 0 H GLY A 35 -0.764 8.336 -5.354 1.00 0.58 H new ATOM 0 HA2 GLY A 35 -1.673 10.363 -4.886 1.00 0.67 H new ATOM 0 HA3 GLY A 35 -3.232 9.631 -4.566 1.00 0.67 H new ATOM 520 N LEU A 36 -1.336 8.579 -2.300 1.00 0.52 N ATOM 521 CA LEU A 36 -1.080 8.447 -0.888 1.00 0.48 C ATOM 522 C LEU A 36 -0.083 9.517 -0.428 1.00 0.46 C ATOM 523 O LEU A 36 -0.152 9.972 0.708 1.00 0.47 O ATOM 524 CB LEU A 36 -0.587 7.021 -0.629 1.00 0.52 C ATOM 525 CG LEU A 36 -1.565 5.905 -1.031 1.00 0.80 C ATOM 526 CD1 LEU A 36 -0.870 4.553 -0.835 1.00 1.33 C ATOM 527 CD2 LEU A 36 -2.853 5.937 -0.198 1.00 1.12 C ATOM 0 H LEU A 36 -1.034 7.765 -2.836 1.00 0.52 H new ATOM 0 HA LEU A 36 -1.987 8.609 -0.305 1.00 0.48 H new ATOM 0 HB2 LEU A 36 0.348 6.874 -1.169 1.00 0.52 H new ATOM 0 HB3 LEU A 36 -0.362 6.919 0.433 1.00 0.52 H new ATOM 0 HG LEU A 36 -1.845 6.056 -2.074 1.00 0.80 H new ATOM 0 HD11 LEU A 36 -1.551 3.750 -1.116 1.00 1.33 H new ATOM 0 HD12 LEU A 36 0.022 4.508 -1.460 1.00 1.33 H new ATOM 0 HD13 LEU A 36 -0.586 4.438 0.211 1.00 1.33 H new ATOM 0 HD21 LEU A 36 -3.513 5.131 -0.518 1.00 1.12 H new ATOM 0 HD22 LEU A 36 -2.608 5.809 0.856 1.00 1.12 H new ATOM 0 HD23 LEU A 36 -3.355 6.894 -0.340 1.00 1.12 H new ATOM 539 N SER A 37 0.806 9.962 -1.324 1.00 0.51 N ATOM 540 CA SER A 37 1.698 11.090 -1.087 1.00 0.60 C ATOM 541 C SER A 37 0.922 12.386 -0.880 1.00 0.61 C ATOM 542 O SER A 37 1.358 13.263 -0.140 1.00 0.72 O ATOM 543 CB SER A 37 2.625 11.227 -2.300 1.00 0.87 C ATOM 544 OG SER A 37 1.858 11.366 -3.484 1.00 2.36 O ATOM 0 H SER A 37 0.923 9.539 -2.245 1.00 0.51 H new ATOM 0 HA SER A 37 2.271 10.906 -0.178 1.00 0.60 H new ATOM 0 HB2 SER A 37 3.276 12.093 -2.175 1.00 0.87 H new ATOM 0 HB3 SER A 37 3.270 10.352 -2.376 1.00 0.87 H new ATOM 0 HG SER A 37 2.181 12.137 -3.995 1.00 2.36 H new ATOM 550 N LYS A 38 -0.195 12.541 -1.597 1.00 0.59 N ATOM 551 CA LYS A 38 -0.974 13.761 -1.550 1.00 0.68 C ATOM 552 C LYS A 38 -1.888 13.716 -0.338 1.00 0.61 C ATOM 553 O LYS A 38 -2.209 14.755 0.236 1.00 0.72 O ATOM 554 CB LYS A 38 -1.794 13.939 -2.837 1.00 0.81 C ATOM 555 CG LYS A 38 -1.829 15.415 -3.274 1.00 1.15 C ATOM 556 CD LYS A 38 -3.260 15.899 -3.530 1.00 2.85 C ATOM 557 CE LYS A 38 -3.243 17.406 -3.825 1.00 3.41 C ATOM 558 NZ LYS A 38 -4.602 17.957 -3.998 1.00 5.10 N ATOM 0 H LYS A 38 -0.574 11.826 -2.218 1.00 0.59 H new ATOM 0 HA LYS A 38 -0.300 14.614 -1.469 1.00 0.68 H new ATOM 0 HB2 LYS A 38 -1.363 13.331 -3.633 1.00 0.81 H new ATOM 0 HB3 LYS A 38 -2.811 13.580 -2.676 1.00 0.81 H new ATOM 0 HG2 LYS A 38 -1.369 16.033 -2.503 1.00 1.15 H new ATOM 0 HG3 LYS A 38 -1.236 15.540 -4.180 1.00 1.15 H new ATOM 0 HD2 LYS A 38 -3.694 15.357 -4.371 1.00 2.85 H new ATOM 0 HD3 LYS A 38 -3.886 15.694 -2.661 1.00 2.85 H new ATOM 0 HE2 LYS A 38 -2.742 17.928 -3.010 1.00 3.41 H new ATOM 0 HE3 LYS A 38 -2.660 17.591 -4.727 1.00 3.41 H new ATOM 0 HZ1 LYS A 38 -4.541 18.976 -4.195 1.00 5.10 H new ATOM 0 HZ2 LYS A 38 -5.072 17.478 -4.793 1.00 5.10 H new ATOM 0 HZ3 LYS A 38 -5.152 17.805 -3.128 1.00 5.10 H new ATOM 572 N MET A 39 -2.333 12.511 0.031 1.00 0.49 N ATOM 573 CA MET A 39 -3.106 12.349 1.241 1.00 0.53 C ATOM 574 C MET A 39 -2.314 12.861 2.453 1.00 0.70 C ATOM 575 O MET A 39 -1.199 12.418 2.715 1.00 1.68 O ATOM 576 CB MET A 39 -3.496 10.878 1.414 1.00 0.46 C ATOM 577 CG MET A 39 -4.828 10.547 0.742 1.00 0.68 C ATOM 578 SD MET A 39 -5.391 8.855 1.046 1.00 2.13 S ATOM 579 CE MET A 39 -7.117 9.034 0.556 1.00 2.86 C ATOM 0 H MET A 39 -2.168 11.650 -0.491 1.00 0.49 H new ATOM 0 HA MET A 39 -4.019 12.940 1.167 1.00 0.53 H new ATOM 0 HB2 MET A 39 -2.713 10.245 0.995 1.00 0.46 H new ATOM 0 HB3 MET A 39 -3.560 10.644 2.477 1.00 0.46 H new ATOM 0 HG2 MET A 39 -5.588 11.243 1.097 1.00 0.68 H new ATOM 0 HG3 MET A 39 -4.732 10.702 -0.333 1.00 0.68 H new ATOM 0 HE1 MET A 39 -7.575 8.049 0.472 1.00 2.86 H new ATOM 0 HE2 MET A 39 -7.649 9.619 1.306 1.00 2.86 H new ATOM 0 HE3 MET A 39 -7.171 9.543 -0.407 1.00 2.86 H new ATOM 589 N SER A 40 -2.894 13.791 3.218 1.00 0.64 N ATOM 590 CA SER A 40 -2.320 14.230 4.477 1.00 0.62 C ATOM 591 C SER A 40 -2.224 13.054 5.451 1.00 0.55 C ATOM 592 O SER A 40 -3.011 12.111 5.355 1.00 0.49 O ATOM 593 CB SER A 40 -3.214 15.325 5.064 1.00 0.73 C ATOM 594 OG SER A 40 -3.531 16.272 4.064 1.00 1.91 O ATOM 0 H SER A 40 -3.770 14.254 2.976 1.00 0.64 H new ATOM 0 HA SER A 40 -1.316 14.620 4.310 1.00 0.62 H new ATOM 0 HB2 SER A 40 -4.128 14.885 5.464 1.00 0.73 H new ATOM 0 HB3 SER A 40 -2.706 15.816 5.894 1.00 0.73 H new ATOM 0 HG SER A 40 -4.105 16.970 4.444 1.00 1.91 H new ATOM 600 N ALA A 41 -1.322 13.155 6.437 1.00 0.61 N ATOM 601 CA ALA A 41 -1.166 12.172 7.506 1.00 0.61 C ATOM 602 C ALA A 41 -2.520 11.720 8.050 1.00 0.62 C ATOM 603 O ALA A 41 -2.718 10.537 8.298 1.00 0.65 O ATOM 604 CB ALA A 41 -0.316 12.752 8.639 1.00 0.67 C ATOM 0 H ALA A 41 -0.672 13.937 6.511 1.00 0.61 H new ATOM 0 HA ALA A 41 -0.662 11.301 7.086 1.00 0.61 H new ATOM 0 HB1 ALA A 41 -0.207 12.009 9.429 1.00 0.67 H new ATOM 0 HB2 ALA A 41 0.668 13.020 8.255 1.00 0.67 H new ATOM 0 HB3 ALA A 41 -0.803 13.641 9.041 1.00 0.67 H new ATOM 610 N ASN A 42 -3.456 12.664 8.196 1.00 0.65 N ATOM 611 CA ASN A 42 -4.837 12.401 8.592 1.00 0.73 C ATOM 612 C ASN A 42 -5.412 11.239 7.780 1.00 0.61 C ATOM 613 O ASN A 42 -5.802 10.208 8.325 1.00 0.69 O ATOM 614 CB ASN A 42 -5.712 13.649 8.381 1.00 0.84 C ATOM 615 CG ASN A 42 -5.128 14.906 9.013 1.00 1.14 C ATOM 616 OD1 ASN A 42 -4.572 14.866 10.104 1.00 1.47 O ATOM 617 ND2 ASN A 42 -5.198 16.028 8.303 1.00 1.87 N ATOM 0 H ASN A 42 -3.266 13.654 8.038 1.00 0.65 H new ATOM 0 HA ASN A 42 -4.838 12.140 9.650 1.00 0.73 H new ATOM 0 HB2 ASN A 42 -5.844 13.816 7.312 1.00 0.84 H new ATOM 0 HB3 ASN A 42 -6.702 13.466 8.800 1.00 0.84 H new ATOM 0 HD21 ASN A 42 -4.782 16.887 8.664 1.00 1.87 H new ATOM 0 HD22 ASN A 42 -5.668 16.030 7.398 1.00 1.87 H new ATOM 624 N GLN A 43 -5.444 11.415 6.457 1.00 0.47 N ATOM 625 CA GLN A 43 -6.037 10.458 5.548 1.00 0.42 C ATOM 626 C GLN A 43 -5.184 9.197 5.508 1.00 0.38 C ATOM 627 O GLN A 43 -5.733 8.110 5.564 1.00 0.41 O ATOM 628 CB GLN A 43 -6.209 11.068 4.151 1.00 0.40 C ATOM 629 CG GLN A 43 -7.191 12.248 4.120 1.00 1.07 C ATOM 630 CD GLN A 43 -8.580 11.877 4.631 1.00 1.69 C ATOM 631 OE1 GLN A 43 -9.039 12.421 5.628 1.00 3.25 O ATOM 632 NE2 GLN A 43 -9.257 10.949 3.961 1.00 1.35 N ATOM 0 H GLN A 43 -5.054 12.235 5.993 1.00 0.47 H new ATOM 0 HA GLN A 43 -7.031 10.190 5.906 1.00 0.42 H new ATOM 0 HB2 GLN A 43 -5.238 11.403 3.786 1.00 0.40 H new ATOM 0 HB3 GLN A 43 -6.558 10.296 3.465 1.00 0.40 H new ATOM 0 HG2 GLN A 43 -6.792 13.062 4.725 1.00 1.07 H new ATOM 0 HG3 GLN A 43 -7.272 12.620 3.099 1.00 1.07 H new ATOM 0 HE21 GLN A 43 -8.846 10.515 3.134 1.00 1.35 H new ATOM 0 HE22 GLN A 43 -10.187 10.671 4.274 1.00 1.35 H new ATOM 641 N VAL A 44 -3.855 9.312 5.441 1.00 0.37 N ATOM 642 CA VAL A 44 -2.974 8.153 5.398 1.00 0.39 C ATOM 643 C VAL A 44 -3.220 7.258 6.621 1.00 0.44 C ATOM 644 O VAL A 44 -3.346 6.038 6.511 1.00 0.48 O ATOM 645 CB VAL A 44 -1.526 8.659 5.346 1.00 0.48 C ATOM 646 CG1 VAL A 44 -0.527 7.505 5.400 1.00 0.56 C ATOM 647 CG2 VAL A 44 -1.279 9.469 4.068 1.00 0.53 C ATOM 0 H VAL A 44 -3.367 10.207 5.415 1.00 0.37 H new ATOM 0 HA VAL A 44 -3.173 7.547 4.514 1.00 0.39 H new ATOM 0 HB VAL A 44 -1.380 9.295 6.219 1.00 0.48 H new ATOM 0 HG11 VAL A 44 0.488 7.900 5.361 1.00 0.56 H new ATOM 0 HG12 VAL A 44 -0.664 6.948 6.327 1.00 0.56 H new ATOM 0 HG13 VAL A 44 -0.691 6.842 4.551 1.00 0.56 H new ATOM 0 HG21 VAL A 44 -0.246 9.818 4.052 1.00 0.53 H new ATOM 0 HG22 VAL A 44 -1.463 8.840 3.197 1.00 0.53 H new ATOM 0 HG23 VAL A 44 -1.952 10.326 4.045 1.00 0.53 H new ATOM 657 N LYS A 45 -3.305 7.872 7.801 1.00 0.47 N ATOM 658 CA LYS A 45 -3.613 7.175 9.032 1.00 0.58 C ATOM 659 C LYS A 45 -5.018 6.569 8.942 1.00 0.61 C ATOM 660 O LYS A 45 -5.228 5.431 9.356 1.00 0.69 O ATOM 661 CB LYS A 45 -3.487 8.144 10.211 1.00 0.71 C ATOM 662 CG LYS A 45 -3.327 7.418 11.554 1.00 0.82 C ATOM 663 CD LYS A 45 -4.180 8.093 12.634 1.00 1.88 C ATOM 664 CE LYS A 45 -3.607 7.804 14.028 1.00 2.02 C ATOM 665 NZ LYS A 45 -4.435 8.398 15.098 1.00 3.54 N ATOM 0 H LYS A 45 -3.160 8.874 7.922 1.00 0.47 H new ATOM 0 HA LYS A 45 -2.908 6.359 9.190 1.00 0.58 H new ATOM 0 HB2 LYS A 45 -2.629 8.797 10.050 1.00 0.71 H new ATOM 0 HB3 LYS A 45 -4.370 8.781 10.249 1.00 0.71 H new ATOM 0 HG2 LYS A 45 -3.623 6.374 11.448 1.00 0.82 H new ATOM 0 HG3 LYS A 45 -2.279 7.423 11.854 1.00 0.82 H new ATOM 0 HD2 LYS A 45 -4.210 9.169 12.462 1.00 1.88 H new ATOM 0 HD3 LYS A 45 -5.207 7.732 12.574 1.00 1.88 H new ATOM 0 HE2 LYS A 45 -3.540 6.726 14.177 1.00 2.02 H new ATOM 0 HE3 LYS A 45 -2.593 8.198 14.093 1.00 2.02 H new ATOM 0 HZ1 LYS A 45 -4.014 8.180 16.024 1.00 3.54 H new ATOM 0 HZ2 LYS A 45 -4.478 9.429 14.971 1.00 3.54 H new ATOM 0 HZ3 LYS A 45 -5.396 8.003 15.053 1.00 3.54 H new ATOM 679 N ASP A 46 -5.989 7.320 8.416 1.00 0.58 N ATOM 680 CA ASP A 46 -7.348 6.816 8.318 1.00 0.64 C ATOM 681 C ASP A 46 -7.409 5.572 7.421 1.00 0.63 C ATOM 682 O ASP A 46 -7.842 4.505 7.852 1.00 0.70 O ATOM 683 CB ASP A 46 -8.310 7.914 7.843 1.00 0.68 C ATOM 684 CG ASP A 46 -9.747 7.605 8.229 1.00 1.40 C ATOM 685 OD1 ASP A 46 -9.961 6.565 8.897 1.00 2.25 O ATOM 686 OD2 ASP A 46 -10.614 8.450 7.938 1.00 2.45 O ATOM 0 H ASP A 46 -5.856 8.266 8.058 1.00 0.58 H new ATOM 0 HA ASP A 46 -7.672 6.513 9.314 1.00 0.64 H new ATOM 0 HB2 ASP A 46 -8.014 8.870 8.276 1.00 0.68 H new ATOM 0 HB3 ASP A 46 -8.238 8.018 6.760 1.00 0.68 H new ATOM 691 N VAL A 47 -6.915 5.686 6.185 1.00 0.57 N ATOM 692 CA VAL A 47 -6.844 4.571 5.253 1.00 0.56 C ATOM 693 C VAL A 47 -6.081 3.403 5.878 1.00 0.59 C ATOM 694 O VAL A 47 -6.554 2.274 5.803 1.00 0.61 O ATOM 695 CB VAL A 47 -6.311 4.981 3.863 1.00 0.54 C ATOM 696 CG1 VAL A 47 -7.116 6.145 3.272 1.00 0.55 C ATOM 697 CG2 VAL A 47 -4.826 5.308 3.809 1.00 0.69 C ATOM 0 H VAL A 47 -6.553 6.561 5.807 1.00 0.57 H new ATOM 0 HA VAL A 47 -7.861 4.229 5.062 1.00 0.56 H new ATOM 0 HB VAL A 47 -6.445 4.085 3.257 1.00 0.54 H new ATOM 0 HG11 VAL A 47 -6.713 6.407 2.294 1.00 0.55 H new ATOM 0 HG12 VAL A 47 -8.160 5.849 3.167 1.00 0.55 H new ATOM 0 HG13 VAL A 47 -7.048 7.008 3.935 1.00 0.55 H new ATOM 0 HG21 VAL A 47 -4.551 5.584 2.791 1.00 0.69 H new ATOM 0 HG22 VAL A 47 -4.612 6.139 4.481 1.00 0.69 H new ATOM 0 HG23 VAL A 47 -4.250 4.435 4.117 1.00 0.69 H new ATOM 707 N PHE A 48 -4.951 3.660 6.553 1.00 0.61 N ATOM 708 CA PHE A 48 -4.250 2.639 7.331 1.00 0.70 C ATOM 709 C PHE A 48 -5.231 1.815 8.179 1.00 0.73 C ATOM 710 O PHE A 48 -5.193 0.589 8.115 1.00 0.75 O ATOM 711 CB PHE A 48 -3.106 3.258 8.156 1.00 0.81 C ATOM 712 CG PHE A 48 -2.818 2.552 9.468 1.00 2.01 C ATOM 713 CD1 PHE A 48 -2.351 1.227 9.451 1.00 2.80 C ATOM 714 CD2 PHE A 48 -3.279 3.110 10.677 1.00 3.88 C ATOM 715 CE1 PHE A 48 -2.459 0.429 10.605 1.00 4.27 C ATOM 716 CE2 PHE A 48 -3.343 2.328 11.840 1.00 5.25 C ATOM 717 CZ PHE A 48 -2.970 0.976 11.795 1.00 5.19 C ATOM 0 H PHE A 48 -4.503 4.576 6.573 1.00 0.61 H new ATOM 0 HA PHE A 48 -3.783 1.938 6.640 1.00 0.70 H new ATOM 0 HB2 PHE A 48 -2.199 3.258 7.552 1.00 0.81 H new ATOM 0 HB3 PHE A 48 -3.349 4.300 8.365 1.00 0.81 H new ATOM 0 HD1 PHE A 48 -1.909 0.821 8.553 1.00 2.80 H new ATOM 0 HD2 PHE A 48 -3.585 4.145 10.709 1.00 3.88 H new ATOM 0 HE1 PHE A 48 -2.149 -0.605 10.576 1.00 4.27 H new ATOM 0 HE2 PHE A 48 -3.679 2.766 12.768 1.00 5.25 H new ATOM 0 HZ PHE A 48 -3.075 0.356 12.673 1.00 5.19 H new ATOM 727 N ARG A 49 -6.145 2.459 8.917 1.00 0.77 N ATOM 728 CA ARG A 49 -7.136 1.731 9.709 1.00 0.84 C ATOM 729 C ARG A 49 -8.034 0.834 8.845 1.00 0.76 C ATOM 730 O ARG A 49 -8.514 -0.188 9.328 1.00 0.93 O ATOM 731 CB ARG A 49 -8.006 2.678 10.544 1.00 0.99 C ATOM 732 CG ARG A 49 -7.196 3.489 11.561 1.00 1.29 C ATOM 733 CD ARG A 49 -8.130 4.313 12.456 1.00 1.56 C ATOM 734 NE ARG A 49 -8.942 5.274 11.681 1.00 3.41 N ATOM 735 CZ ARG A 49 -9.891 6.062 12.209 1.00 4.37 C ATOM 736 NH1 ARG A 49 -10.152 6.004 13.520 1.00 3.66 N ATOM 737 NH2 ARG A 49 -10.575 6.904 11.436 1.00 6.50 N ATOM 0 H ARG A 49 -6.216 3.475 8.980 1.00 0.77 H new ATOM 0 HA ARG A 49 -6.565 1.092 10.382 1.00 0.84 H new ATOM 0 HB2 ARG A 49 -8.533 3.362 9.878 1.00 0.99 H new ATOM 0 HB3 ARG A 49 -8.764 2.098 11.070 1.00 0.99 H new ATOM 0 HG2 ARG A 49 -6.594 2.818 12.174 1.00 1.29 H new ATOM 0 HG3 ARG A 49 -6.505 4.151 11.040 1.00 1.29 H new ATOM 0 HD2 ARG A 49 -8.790 3.641 13.005 1.00 1.56 H new ATOM 0 HD3 ARG A 49 -7.539 4.853 13.195 1.00 1.56 H new ATOM 0 HE ARG A 49 -8.770 5.343 10.678 1.00 3.41 H new ATOM 0 HH11 ARG A 49 -9.630 5.362 14.116 1.00 3.66 H new ATOM 0 HH12 ARG A 49 -10.873 6.602 13.923 1.00 3.66 H new ATOM 0 HH21 ARG A 49 -10.379 6.952 10.436 1.00 6.50 H new ATOM 0 HH22 ARG A 49 -11.295 7.500 11.844 1.00 6.50 H new ATOM 751 N PHE A 50 -8.307 1.207 7.593 1.00 0.58 N ATOM 752 CA PHE A 50 -9.020 0.320 6.680 1.00 0.54 C ATOM 753 C PHE A 50 -8.143 -0.868 6.267 1.00 0.49 C ATOM 754 O PHE A 50 -8.679 -1.950 6.042 1.00 0.61 O ATOM 755 CB PHE A 50 -9.551 1.072 5.449 1.00 0.60 C ATOM 756 CG PHE A 50 -10.943 1.657 5.617 1.00 1.32 C ATOM 757 CD1 PHE A 50 -11.119 2.954 6.135 1.00 2.87 C ATOM 758 CD2 PHE A 50 -12.067 0.895 5.243 1.00 2.13 C ATOM 759 CE1 PHE A 50 -12.411 3.502 6.232 1.00 3.82 C ATOM 760 CE2 PHE A 50 -13.358 1.442 5.347 1.00 2.83 C ATOM 761 CZ PHE A 50 -13.529 2.752 5.825 1.00 3.40 C ATOM 0 H PHE A 50 -8.047 2.109 7.194 1.00 0.58 H new ATOM 0 HA PHE A 50 -9.885 -0.070 7.217 1.00 0.54 H new ATOM 0 HB2 PHE A 50 -8.859 1.878 5.206 1.00 0.60 H new ATOM 0 HB3 PHE A 50 -9.558 0.391 4.598 1.00 0.60 H new ATOM 0 HD1 PHE A 50 -10.263 3.528 6.458 1.00 2.87 H new ATOM 0 HD2 PHE A 50 -11.937 -0.112 4.875 1.00 2.13 H new ATOM 0 HE1 PHE A 50 -12.545 4.501 6.620 1.00 3.82 H new ATOM 0 HE2 PHE A 50 -14.218 0.855 5.060 1.00 2.83 H new ATOM 0 HZ PHE A 50 -14.518 3.183 5.880 1.00 3.40 H new ATOM 771 N ILE A 51 -6.825 -0.682 6.121 1.00 0.49 N ATOM 772 CA ILE A 51 -5.904 -1.768 5.772 1.00 0.64 C ATOM 773 C ILE A 51 -5.619 -2.632 7.023 1.00 0.67 C ATOM 774 O ILE A 51 -6.308 -2.494 8.033 1.00 2.39 O ATOM 775 CB ILE A 51 -4.646 -1.208 5.060 1.00 0.89 C ATOM 776 CG1 ILE A 51 -4.988 -0.159 3.987 1.00 1.28 C ATOM 777 CG2 ILE A 51 -3.825 -2.289 4.330 1.00 1.06 C ATOM 778 CD1 ILE A 51 -5.946 -0.692 2.919 1.00 1.17 C ATOM 0 H ILE A 51 -6.370 0.223 6.241 1.00 0.49 H new ATOM 0 HA ILE A 51 -6.359 -2.441 5.045 1.00 0.64 H new ATOM 0 HB ILE A 51 -4.071 -0.771 5.876 1.00 0.89 H new ATOM 0 HG12 ILE A 51 -5.434 0.712 4.467 1.00 1.28 H new ATOM 0 HG13 ILE A 51 -4.068 0.177 3.508 1.00 1.28 H new ATOM 0 HG21 ILE A 51 -2.959 -1.829 3.854 1.00 1.06 H new ATOM 0 HG22 ILE A 51 -3.489 -3.037 5.048 1.00 1.06 H new ATOM 0 HG23 ILE A 51 -4.445 -2.767 3.571 1.00 1.06 H new ATOM 0 HD11 ILE A 51 -6.151 0.092 2.190 1.00 1.17 H new ATOM 0 HD12 ILE A 51 -5.492 -1.546 2.416 1.00 1.17 H new ATOM 0 HD13 ILE A 51 -6.879 -1.002 3.389 1.00 1.17 H new ATOM 790 N ASP A 52 -4.668 -3.577 6.946 1.00 1.48 N ATOM 791 CA ASP A 52 -4.262 -4.522 7.998 1.00 1.57 C ATOM 792 C ASP A 52 -5.301 -5.630 8.141 1.00 2.18 C ATOM 793 O ASP A 52 -4.989 -6.799 7.953 1.00 4.11 O ATOM 794 CB ASP A 52 -3.933 -3.795 9.317 1.00 1.41 C ATOM 795 CG ASP A 52 -3.172 -4.596 10.375 1.00 1.33 C ATOM 796 OD1 ASP A 52 -2.616 -5.683 10.099 1.00 2.97 O ATOM 797 OD2 ASP A 52 -3.127 -4.075 11.508 1.00 1.21 O ATOM 0 H ASP A 52 -4.127 -3.710 6.091 1.00 1.48 H new ATOM 0 HA ASP A 52 -3.331 -5.007 7.705 1.00 1.57 H new ATOM 0 HB2 ASP A 52 -3.349 -2.906 9.078 1.00 1.41 H new ATOM 0 HB3 ASP A 52 -4.869 -3.452 9.758 1.00 1.41 H new ATOM 802 N ASN A 53 -6.554 -5.234 8.380 1.00 0.73 N ATOM 803 CA ASN A 53 -7.739 -6.067 8.564 1.00 0.94 C ATOM 804 C ASN A 53 -7.967 -6.256 10.055 1.00 0.77 C ATOM 805 O ASN A 53 -9.031 -5.916 10.565 1.00 1.57 O ATOM 806 CB ASN A 53 -7.688 -7.410 7.814 1.00 1.23 C ATOM 807 CG ASN A 53 -9.090 -7.970 7.626 1.00 1.40 C ATOM 808 OD1 ASN A 53 -9.857 -7.431 6.830 1.00 2.13 O ATOM 809 ND2 ASN A 53 -9.430 -9.055 8.312 1.00 1.28 N ATOM 0 H ASN A 53 -6.781 -4.242 8.455 1.00 0.73 H new ATOM 0 HA ASN A 53 -8.586 -5.547 8.116 1.00 0.94 H new ATOM 0 HB2 ASN A 53 -7.212 -7.273 6.843 1.00 1.23 H new ATOM 0 HB3 ASN A 53 -7.078 -8.121 8.371 1.00 1.23 H new ATOM 0 HD21 ASN A 53 -10.354 -9.469 8.187 1.00 1.28 H new ATOM 0 HD22 ASN A 53 -8.767 -9.475 8.964 1.00 1.28 H new ATOM 816 N ASP A 54 -6.940 -6.736 10.756 1.00 0.60 N ATOM 817 CA ASP A 54 -6.899 -6.808 12.211 1.00 0.76 C ATOM 818 C ASP A 54 -7.132 -5.439 12.850 1.00 1.10 C ATOM 819 O ASP A 54 -7.676 -5.369 13.949 1.00 1.51 O ATOM 820 CB ASP A 54 -5.574 -7.399 12.761 1.00 1.22 C ATOM 821 CG ASP A 54 -4.509 -7.827 11.758 1.00 1.16 C ATOM 822 OD1 ASP A 54 -4.881 -8.333 10.683 1.00 2.37 O ATOM 823 OD2 ASP A 54 -3.315 -7.616 12.083 1.00 1.81 O ATOM 0 H ASP A 54 -6.093 -7.094 10.314 1.00 0.60 H new ATOM 0 HA ASP A 54 -7.708 -7.486 12.482 1.00 0.76 H new ATOM 0 HB2 ASP A 54 -5.128 -6.658 13.425 1.00 1.22 H new ATOM 0 HB3 ASP A 54 -5.824 -8.266 13.373 1.00 1.22 H new ATOM 828 N GLN A 55 -6.637 -4.375 12.208 1.00 1.14 N ATOM 829 CA GLN A 55 -6.392 -3.092 12.855 1.00 1.45 C ATOM 830 C GLN A 55 -5.463 -3.304 14.063 1.00 1.51 C ATOM 831 O GLN A 55 -5.737 -2.823 15.160 1.00 1.77 O ATOM 832 CB GLN A 55 -7.706 -2.362 13.222 1.00 1.71 C ATOM 833 CG GLN A 55 -8.359 -1.667 12.022 1.00 3.07 C ATOM 834 CD GLN A 55 -9.639 -0.920 12.410 1.00 3.32 C ATOM 835 OE1 GLN A 55 -10.056 -0.908 13.564 1.00 3.06 O ATOM 836 NE2 GLN A 55 -10.276 -0.264 11.446 1.00 4.55 N ATOM 0 H GLN A 55 -6.395 -4.386 11.217 1.00 1.14 H new ATOM 0 HA GLN A 55 -5.889 -2.428 12.152 1.00 1.45 H new ATOM 0 HB2 GLN A 55 -8.408 -3.080 13.646 1.00 1.71 H new ATOM 0 HB3 GLN A 55 -7.501 -1.622 13.996 1.00 1.71 H new ATOM 0 HG2 GLN A 55 -7.651 -0.965 11.581 1.00 3.07 H new ATOM 0 HG3 GLN A 55 -8.591 -2.408 11.257 1.00 3.07 H new ATOM 0 HE21 GLN A 55 -9.916 -0.284 10.492 1.00 4.55 H new ATOM 0 HE22 GLN A 55 -11.125 0.260 11.660 1.00 4.55 H new ATOM 845 N SER A 56 -4.343 -4.008 13.856 1.00 1.41 N ATOM 846 CA SER A 56 -3.313 -4.193 14.869 1.00 1.55 C ATOM 847 C SER A 56 -2.275 -3.079 14.769 1.00 1.64 C ATOM 848 O SER A 56 -1.852 -2.545 15.792 1.00 2.12 O ATOM 849 CB SER A 56 -2.654 -5.577 14.760 1.00 1.38 C ATOM 850 OG SER A 56 -2.137 -5.844 13.469 1.00 1.04 O ATOM 0 H SER A 56 -4.131 -4.467 12.970 1.00 1.41 H new ATOM 0 HA SER A 56 -3.787 -4.142 15.849 1.00 1.55 H new ATOM 0 HB2 SER A 56 -1.848 -5.648 15.490 1.00 1.38 H new ATOM 0 HB3 SER A 56 -3.385 -6.343 15.018 1.00 1.38 H new ATOM 0 HG SER A 56 -2.432 -6.732 13.176 1.00 1.04 H new ATOM 856 N GLY A 57 -1.844 -2.745 13.549 1.00 1.45 N ATOM 857 CA GLY A 57 -0.816 -1.738 13.315 1.00 1.69 C ATOM 858 C GLY A 57 0.410 -2.346 12.653 1.00 1.44 C ATOM 859 O GLY A 57 1.021 -1.727 11.789 1.00 2.27 O ATOM 0 H GLY A 57 -2.203 -3.170 12.694 1.00 1.45 H new ATOM 0 HA2 GLY A 57 -1.217 -0.945 12.684 1.00 1.69 H new ATOM 0 HA3 GLY A 57 -0.531 -1.279 14.262 1.00 1.69 H new ATOM 863 N TYR A 58 0.771 -3.565 13.045 1.00 0.79 N ATOM 864 CA TYR A 58 1.751 -4.343 12.311 1.00 0.78 C ATOM 865 C TYR A 58 1.084 -4.759 11.011 1.00 0.69 C ATOM 866 O TYR A 58 0.152 -5.553 11.039 1.00 0.73 O ATOM 867 CB TYR A 58 2.224 -5.531 13.159 1.00 0.87 C ATOM 868 CG TYR A 58 3.226 -5.166 14.245 1.00 1.05 C ATOM 869 CD1 TYR A 58 2.876 -4.275 15.280 1.00 1.91 C ATOM 870 CD2 TYR A 58 4.533 -5.689 14.198 1.00 2.29 C ATOM 871 CE1 TYR A 58 3.837 -3.871 16.221 1.00 2.01 C ATOM 872 CE2 TYR A 58 5.491 -5.293 15.150 1.00 2.48 C ATOM 873 CZ TYR A 58 5.146 -4.371 16.151 1.00 1.56 C ATOM 874 OH TYR A 58 6.066 -3.985 17.080 1.00 1.86 O ATOM 0 H TYR A 58 0.395 -4.032 13.870 1.00 0.79 H new ATOM 0 HA TYR A 58 2.651 -3.772 12.084 1.00 0.78 H new ATOM 0 HB2 TYR A 58 1.356 -5.999 13.624 1.00 0.87 H new ATOM 0 HB3 TYR A 58 2.673 -6.275 12.502 1.00 0.87 H new ATOM 0 HD1 TYR A 58 1.865 -3.902 15.349 1.00 1.91 H new ATOM 0 HD2 TYR A 58 4.801 -6.397 13.428 1.00 2.29 H new ATOM 0 HE1 TYR A 58 3.568 -3.174 17.000 1.00 2.01 H new ATOM 0 HE2 TYR A 58 6.491 -5.698 15.111 1.00 2.48 H new ATOM 0 HH TYR A 58 6.923 -4.421 16.892 1.00 1.86 H new ATOM 884 N LEU A 59 1.524 -4.196 9.888 1.00 0.63 N ATOM 885 CA LEU A 59 1.215 -4.674 8.555 1.00 0.52 C ATOM 886 C LEU A 59 2.228 -5.766 8.253 1.00 0.50 C ATOM 887 O LEU A 59 3.266 -5.545 7.629 1.00 0.54 O ATOM 888 CB LEU A 59 1.274 -3.531 7.533 1.00 0.53 C ATOM 889 CG LEU A 59 -0.020 -2.708 7.459 1.00 0.73 C ATOM 890 CD1 LEU A 59 -1.140 -3.506 6.793 1.00 1.63 C ATOM 891 CD2 LEU A 59 -0.482 -2.169 8.813 1.00 1.88 C ATOM 0 H LEU A 59 2.123 -3.370 9.887 1.00 0.63 H new ATOM 0 HA LEU A 59 0.200 -5.068 8.494 1.00 0.52 H new ATOM 0 HB2 LEU A 59 2.102 -2.869 7.787 1.00 0.53 H new ATOM 0 HB3 LEU A 59 1.488 -3.946 6.548 1.00 0.53 H new ATOM 0 HG LEU A 59 0.217 -1.839 6.846 1.00 0.73 H new ATOM 0 HD11 LEU A 59 -2.045 -2.900 6.754 1.00 1.63 H new ATOM 0 HD12 LEU A 59 -0.841 -3.778 5.781 1.00 1.63 H new ATOM 0 HD13 LEU A 59 -1.334 -4.411 7.369 1.00 1.63 H new ATOM 0 HD21 LEU A 59 -1.401 -1.598 8.683 1.00 1.88 H new ATOM 0 HD22 LEU A 59 -0.665 -3.001 9.493 1.00 1.88 H new ATOM 0 HD23 LEU A 59 0.290 -1.523 9.230 1.00 1.88 H new ATOM 903 N ASP A 60 1.922 -6.947 8.771 1.00 0.59 N ATOM 904 CA ASP A 60 2.734 -8.133 8.626 1.00 0.63 C ATOM 905 C ASP A 60 2.676 -8.610 7.161 1.00 0.60 C ATOM 906 O ASP A 60 1.684 -8.397 6.462 1.00 0.59 O ATOM 907 CB ASP A 60 2.263 -9.200 9.628 1.00 0.73 C ATOM 908 CG ASP A 60 1.941 -8.650 11.024 1.00 0.89 C ATOM 909 OD1 ASP A 60 0.786 -8.193 11.251 1.00 1.25 O ATOM 910 OD2 ASP A 60 2.875 -8.681 11.854 1.00 1.46 O ATOM 0 H ASP A 60 1.076 -7.104 9.319 1.00 0.59 H new ATOM 0 HA ASP A 60 3.779 -7.923 8.855 1.00 0.63 H new ATOM 0 HB2 ASP A 60 1.375 -9.691 9.229 1.00 0.73 H new ATOM 0 HB3 ASP A 60 3.036 -9.963 9.719 1.00 0.73 H new ATOM 915 N GLU A 61 3.748 -9.257 6.686 1.00 0.69 N ATOM 916 CA GLU A 61 3.946 -9.627 5.284 1.00 0.74 C ATOM 917 C GLU A 61 2.706 -10.299 4.684 1.00 0.71 C ATOM 918 O GLU A 61 2.265 -9.957 3.587 1.00 0.74 O ATOM 919 CB GLU A 61 5.164 -10.555 5.169 1.00 0.93 C ATOM 920 CG GLU A 61 6.467 -9.890 5.632 1.00 1.62 C ATOM 921 CD GLU A 61 7.616 -10.888 5.611 1.00 2.72 C ATOM 922 OE1 GLU A 61 8.071 -11.203 4.491 1.00 3.17 O ATOM 923 OE2 GLU A 61 7.988 -11.337 6.718 1.00 3.90 O ATOM 0 H GLU A 61 4.522 -9.544 7.286 1.00 0.69 H new ATOM 0 HA GLU A 61 4.121 -8.714 4.715 1.00 0.74 H new ATOM 0 HB2 GLU A 61 4.989 -11.452 5.763 1.00 0.93 H new ATOM 0 HB3 GLU A 61 5.274 -10.876 4.133 1.00 0.93 H new ATOM 0 HG2 GLU A 61 6.700 -9.045 4.984 1.00 1.62 H new ATOM 0 HG3 GLU A 61 6.341 -9.494 6.640 1.00 1.62 H new ATOM 930 N GLU A 62 2.136 -11.255 5.417 1.00 0.77 N ATOM 931 CA GLU A 62 0.969 -12.003 4.979 1.00 0.86 C ATOM 932 C GLU A 62 -0.202 -11.065 4.667 1.00 0.88 C ATOM 933 O GLU A 62 -0.911 -11.260 3.687 1.00 1.04 O ATOM 934 CB GLU A 62 0.593 -13.030 6.061 1.00 1.00 C ATOM 935 CG GLU A 62 -0.192 -14.219 5.493 1.00 1.25 C ATOM 936 CD GLU A 62 0.726 -15.230 4.822 1.00 2.42 C ATOM 937 OE1 GLU A 62 1.507 -15.867 5.555 1.00 3.03 O ATOM 938 OE2 GLU A 62 0.602 -15.376 3.586 1.00 3.68 O ATOM 0 H GLU A 62 2.477 -11.531 6.338 1.00 0.77 H new ATOM 0 HA GLU A 62 1.206 -12.532 4.056 1.00 0.86 H new ATOM 0 HB2 GLU A 62 1.500 -13.394 6.543 1.00 1.00 H new ATOM 0 HB3 GLU A 62 -0.002 -12.540 6.831 1.00 1.00 H new ATOM 0 HG2 GLU A 62 -0.746 -14.706 6.296 1.00 1.25 H new ATOM 0 HG3 GLU A 62 -0.926 -13.859 4.772 1.00 1.25 H new ATOM 945 N GLU A 63 -0.414 -10.023 5.470 1.00 0.82 N ATOM 946 CA GLU A 63 -1.521 -9.100 5.253 1.00 0.89 C ATOM 947 C GLU A 63 -1.260 -8.239 4.031 1.00 0.71 C ATOM 948 O GLU A 63 -2.199 -7.826 3.350 1.00 0.69 O ATOM 949 CB GLU A 63 -1.684 -8.223 6.479 1.00 1.05 C ATOM 950 CG GLU A 63 -2.058 -9.115 7.667 1.00 1.71 C ATOM 951 CD GLU A 63 -1.404 -8.644 8.937 1.00 1.47 C ATOM 952 OE1 GLU A 63 -0.734 -7.589 8.957 1.00 2.11 O ATOM 953 OE2 GLU A 63 -1.661 -9.222 10.009 1.00 2.34 O ATOM 0 H GLU A 63 0.168 -9.799 6.277 1.00 0.82 H new ATOM 0 HA GLU A 63 -2.435 -9.669 5.084 1.00 0.89 H new ATOM 0 HB2 GLU A 63 -0.759 -7.685 6.686 1.00 1.05 H new ATOM 0 HB3 GLU A 63 -2.457 -7.474 6.309 1.00 1.05 H new ATOM 0 HG2 GLU A 63 -3.141 -9.119 7.794 1.00 1.71 H new ATOM 0 HG3 GLU A 63 -1.757 -10.142 7.461 1.00 1.71 H new ATOM 960 N LEU A 64 0.016 -7.999 3.723 1.00 0.67 N ATOM 961 CA LEU A 64 0.390 -7.372 2.469 1.00 0.69 C ATOM 962 C LEU A 64 -0.186 -8.162 1.283 1.00 0.68 C ATOM 963 O LEU A 64 -0.583 -7.555 0.294 1.00 0.97 O ATOM 964 CB LEU A 64 1.910 -7.119 2.407 1.00 0.81 C ATOM 965 CG LEU A 64 2.245 -5.624 2.248 1.00 1.02 C ATOM 966 CD1 LEU A 64 3.689 -5.355 2.684 1.00 1.90 C ATOM 967 CD2 LEU A 64 2.064 -5.154 0.801 1.00 2.33 C ATOM 0 H LEU A 64 0.802 -8.232 4.329 1.00 0.67 H new ATOM 0 HA LEU A 64 -0.058 -6.380 2.403 1.00 0.69 H new ATOM 0 HB2 LEU A 64 2.377 -7.500 3.315 1.00 0.81 H new ATOM 0 HB3 LEU A 64 2.336 -7.676 1.572 1.00 0.81 H new ATOM 0 HG LEU A 64 1.554 -5.068 2.882 1.00 1.02 H new ATOM 0 HD11 LEU A 64 3.913 -4.295 2.567 1.00 1.90 H new ATOM 0 HD12 LEU A 64 3.812 -5.638 3.729 1.00 1.90 H new ATOM 0 HD13 LEU A 64 4.370 -5.940 2.067 1.00 1.90 H new ATOM 0 HD21 LEU A 64 2.310 -4.094 0.729 1.00 2.33 H new ATOM 0 HD22 LEU A 64 2.724 -5.725 0.148 1.00 2.33 H new ATOM 0 HD23 LEU A 64 1.029 -5.308 0.495 1.00 2.33 H new ATOM 979 N LYS A 65 -0.355 -9.489 1.412 1.00 0.68 N ATOM 980 CA LYS A 65 -1.027 -10.332 0.419 1.00 0.76 C ATOM 981 C LYS A 65 -2.493 -9.933 0.177 1.00 0.72 C ATOM 982 O LYS A 65 -3.109 -10.456 -0.749 1.00 0.99 O ATOM 983 CB LYS A 65 -0.953 -11.803 0.860 1.00 0.95 C ATOM 984 CG LYS A 65 -1.187 -12.829 -0.256 1.00 1.19 C ATOM 985 CD LYS A 65 -0.812 -14.245 0.215 1.00 1.38 C ATOM 986 CE LYS A 65 -1.675 -14.739 1.389 1.00 1.75 C ATOM 987 NZ LYS A 65 -1.206 -16.038 1.907 1.00 1.96 N ATOM 0 H LYS A 65 -0.022 -10.010 2.223 1.00 0.68 H new ATOM 0 HA LYS A 65 -0.504 -10.189 -0.527 1.00 0.76 H new ATOM 0 HB2 LYS A 65 0.027 -11.985 1.300 1.00 0.95 H new ATOM 0 HB3 LYS A 65 -1.691 -11.968 1.645 1.00 0.95 H new ATOM 0 HG2 LYS A 65 -2.233 -12.808 -0.562 1.00 1.19 H new ATOM 0 HG3 LYS A 65 -0.594 -12.563 -1.131 1.00 1.19 H new ATOM 0 HD2 LYS A 65 -0.914 -14.938 -0.620 1.00 1.38 H new ATOM 0 HD3 LYS A 65 0.237 -14.257 0.513 1.00 1.38 H new ATOM 0 HE2 LYS A 65 -1.656 -14.000 2.190 1.00 1.75 H new ATOM 0 HE3 LYS A 65 -2.712 -14.830 1.065 1.00 1.75 H new ATOM 0 HZ1 LYS A 65 -2.019 -16.673 2.040 1.00 1.96 H new ATOM 0 HZ2 LYS A 65 -0.542 -16.463 1.229 1.00 1.96 H new ATOM 0 HZ3 LYS A 65 -0.726 -15.895 2.818 1.00 1.96 H new ATOM 1001 N PHE A 66 -3.066 -9.041 0.993 1.00 0.56 N ATOM 1002 CA PHE A 66 -4.385 -8.460 0.778 1.00 0.59 C ATOM 1003 C PHE A 66 -4.356 -6.931 0.952 1.00 0.63 C ATOM 1004 O PHE A 66 -5.405 -6.333 1.200 1.00 0.99 O ATOM 1005 CB PHE A 66 -5.403 -9.115 1.734 1.00 0.74 C ATOM 1006 CG PHE A 66 -5.954 -10.446 1.255 1.00 1.81 C ATOM 1007 CD1 PHE A 66 -5.191 -11.620 1.391 1.00 2.62 C ATOM 1008 CD2 PHE A 66 -7.224 -10.506 0.651 1.00 3.29 C ATOM 1009 CE1 PHE A 66 -5.662 -12.831 0.853 1.00 4.11 C ATOM 1010 CE2 PHE A 66 -7.697 -11.717 0.118 1.00 4.72 C ATOM 1011 CZ PHE A 66 -6.909 -12.877 0.206 1.00 4.97 C ATOM 0 H PHE A 66 -2.610 -8.699 1.839 1.00 0.56 H new ATOM 0 HA PHE A 66 -4.693 -8.658 -0.249 1.00 0.59 H new ATOM 0 HB2 PHE A 66 -4.928 -9.261 2.704 1.00 0.74 H new ATOM 0 HB3 PHE A 66 -6.234 -8.426 1.886 1.00 0.74 H new ATOM 0 HD1 PHE A 66 -4.244 -11.591 1.909 1.00 2.62 H new ATOM 0 HD2 PHE A 66 -7.837 -9.618 0.597 1.00 3.29 H new ATOM 0 HE1 PHE A 66 -5.065 -13.727 0.937 1.00 4.11 H new ATOM 0 HE2 PHE A 66 -8.665 -11.756 -0.359 1.00 4.72 H new ATOM 0 HZ PHE A 66 -7.261 -13.803 -0.223 1.00 4.97 H new ATOM 1021 N PHE A 67 -3.193 -6.285 0.795 1.00 0.51 N ATOM 1022 CA PHE A 67 -3.056 -4.838 0.968 1.00 0.61 C ATOM 1023 C PHE A 67 -4.046 -4.089 0.073 1.00 0.64 C ATOM 1024 O PHE A 67 -4.971 -3.444 0.565 1.00 0.83 O ATOM 1025 CB PHE A 67 -1.597 -4.419 0.717 1.00 0.67 C ATOM 1026 CG PHE A 67 -1.349 -2.936 0.518 1.00 0.83 C ATOM 1027 CD1 PHE A 67 -1.259 -2.071 1.624 1.00 1.68 C ATOM 1028 CD2 PHE A 67 -1.153 -2.427 -0.779 1.00 2.26 C ATOM 1029 CE1 PHE A 67 -1.089 -0.689 1.425 1.00 1.65 C ATOM 1030 CE2 PHE A 67 -0.983 -1.048 -0.979 1.00 2.48 C ATOM 1031 CZ PHE A 67 -0.964 -0.175 0.123 1.00 1.28 C ATOM 0 H PHE A 67 -2.322 -6.753 0.544 1.00 0.51 H new ATOM 0 HA PHE A 67 -3.302 -4.569 1.995 1.00 0.61 H new ATOM 0 HB2 PHE A 67 -0.994 -4.757 1.560 1.00 0.67 H new ATOM 0 HB3 PHE A 67 -1.236 -4.948 -0.165 1.00 0.67 H new ATOM 0 HD1 PHE A 67 -1.320 -2.468 2.626 1.00 1.68 H new ATOM 0 HD2 PHE A 67 -1.133 -3.100 -1.624 1.00 2.26 H new ATOM 0 HE1 PHE A 67 -1.054 -0.022 2.274 1.00 1.65 H new ATOM 0 HE2 PHE A 67 -0.867 -0.658 -1.979 1.00 2.48 H new ATOM 0 HZ PHE A 67 -0.854 0.888 -0.031 1.00 1.28 H new ATOM 1041 N LEU A 68 -3.874 -4.195 -1.245 1.00 0.53 N ATOM 1042 CA LEU A 68 -4.683 -3.475 -2.220 1.00 0.57 C ATOM 1043 C LEU A 68 -5.991 -4.217 -2.527 1.00 0.56 C ATOM 1044 O LEU A 68 -6.905 -3.632 -3.113 1.00 0.61 O ATOM 1045 CB LEU A 68 -3.839 -3.248 -3.482 1.00 0.70 C ATOM 1046 CG LEU A 68 -4.259 -2.136 -4.447 1.00 1.28 C ATOM 1047 CD1 LEU A 68 -4.313 -0.786 -3.738 1.00 2.41 C ATOM 1048 CD2 LEU A 68 -3.204 -2.044 -5.559 1.00 2.02 C ATOM 0 H LEU A 68 -3.161 -4.790 -1.667 1.00 0.53 H new ATOM 0 HA LEU A 68 -4.977 -2.509 -1.809 1.00 0.57 H new ATOM 0 HB2 LEU A 68 -2.816 -3.044 -3.165 1.00 0.70 H new ATOM 0 HB3 LEU A 68 -3.819 -4.183 -4.041 1.00 0.70 H new ATOM 0 HG LEU A 68 -5.247 -2.369 -4.843 1.00 1.28 H new ATOM 0 HD11 LEU A 68 -4.614 -0.015 -4.447 1.00 2.41 H new ATOM 0 HD12 LEU A 68 -5.035 -0.832 -2.923 1.00 2.41 H new ATOM 0 HD13 LEU A 68 -3.328 -0.546 -3.337 1.00 2.41 H new ATOM 0 HD21 LEU A 68 -3.482 -1.257 -6.260 1.00 2.02 H new ATOM 0 HD22 LEU A 68 -2.233 -1.813 -5.121 1.00 2.02 H new ATOM 0 HD23 LEU A 68 -3.147 -2.996 -6.086 1.00 2.02 H new ATOM 1060 N GLN A 69 -6.108 -5.494 -2.125 1.00 0.56 N ATOM 1061 CA GLN A 69 -7.355 -6.241 -2.249 1.00 0.57 C ATOM 1062 C GLN A 69 -8.480 -5.438 -1.609 1.00 0.71 C ATOM 1063 O GLN A 69 -9.440 -5.077 -2.279 1.00 1.45 O ATOM 1064 CB GLN A 69 -7.271 -7.630 -1.594 1.00 0.53 C ATOM 1065 CG GLN A 69 -6.382 -8.624 -2.354 1.00 1.02 C ATOM 1066 CD GLN A 69 -6.885 -8.925 -3.760 1.00 1.07 C ATOM 1067 OE1 GLN A 69 -8.085 -8.919 -4.014 1.00 2.13 O ATOM 1068 NE2 GLN A 69 -5.976 -9.163 -4.699 1.00 1.15 N ATOM 0 H GLN A 69 -5.344 -6.027 -1.710 1.00 0.56 H new ATOM 0 HA GLN A 69 -7.550 -6.396 -3.310 1.00 0.57 H new ATOM 0 HB2 GLN A 69 -6.890 -7.520 -0.579 1.00 0.53 H new ATOM 0 HB3 GLN A 69 -8.276 -8.044 -1.514 1.00 0.53 H new ATOM 0 HG2 GLN A 69 -5.370 -8.223 -2.415 1.00 1.02 H new ATOM 0 HG3 GLN A 69 -6.323 -9.554 -1.789 1.00 1.02 H new ATOM 0 HE21 GLN A 69 -4.984 -9.162 -4.461 1.00 1.15 H new ATOM 0 HE22 GLN A 69 -6.270 -9.347 -5.658 1.00 1.15 H new ATOM 1077 N LYS A 70 -8.336 -5.091 -0.328 1.00 0.55 N ATOM 1078 CA LYS A 70 -9.343 -4.328 0.405 1.00 0.63 C ATOM 1079 C LYS A 70 -9.304 -2.828 0.061 1.00 1.05 C ATOM 1080 O LYS A 70 -9.419 -1.987 0.948 1.00 2.24 O ATOM 1081 CB LYS A 70 -9.177 -4.621 1.903 1.00 1.39 C ATOM 1082 CG LYS A 70 -7.864 -4.066 2.476 1.00 1.30 C ATOM 1083 CD LYS A 70 -7.279 -4.933 3.597 1.00 1.29 C ATOM 1084 CE LYS A 70 -8.182 -5.025 4.834 1.00 1.75 C ATOM 1085 NZ LYS A 70 -9.264 -6.018 4.683 1.00 2.35 N ATOM 0 H LYS A 70 -7.516 -5.332 0.229 1.00 0.55 H new ATOM 0 HA LYS A 70 -10.341 -4.645 0.101 1.00 0.63 H new ATOM 0 HB2 LYS A 70 -10.017 -4.190 2.448 1.00 1.39 H new ATOM 0 HB3 LYS A 70 -9.212 -5.699 2.064 1.00 1.39 H new ATOM 0 HG2 LYS A 70 -7.132 -3.980 1.673 1.00 1.30 H new ATOM 0 HG3 LYS A 70 -8.038 -3.060 2.857 1.00 1.30 H new ATOM 0 HD2 LYS A 70 -7.099 -5.937 3.213 1.00 1.29 H new ATOM 0 HD3 LYS A 70 -6.312 -4.527 3.892 1.00 1.29 H new ATOM 0 HE2 LYS A 70 -7.576 -5.285 5.702 1.00 1.75 H new ATOM 0 HE3 LYS A 70 -8.619 -4.046 5.032 1.00 1.75 H new ATOM 0 HZ1 LYS A 70 -9.576 -6.337 5.622 1.00 2.35 H new ATOM 0 HZ2 LYS A 70 -10.065 -5.585 4.181 1.00 2.35 H new ATOM 0 HZ3 LYS A 70 -8.914 -6.833 4.139 1.00 2.35 H new ATOM 1099 N PHE A 71 -9.148 -2.511 -1.227 1.00 0.61 N ATOM 1100 CA PHE A 71 -9.065 -1.176 -1.806 1.00 1.04 C ATOM 1101 C PHE A 71 -9.708 -1.266 -3.197 1.00 1.25 C ATOM 1102 O PHE A 71 -10.659 -0.541 -3.474 1.00 1.66 O ATOM 1103 CB PHE A 71 -7.590 -0.721 -1.896 1.00 1.38 C ATOM 1104 CG PHE A 71 -7.163 0.533 -1.140 1.00 1.65 C ATOM 1105 CD1 PHE A 71 -7.537 0.729 0.202 1.00 2.71 C ATOM 1106 CD2 PHE A 71 -6.221 1.410 -1.715 1.00 2.54 C ATOM 1107 CE1 PHE A 71 -7.033 1.824 0.931 1.00 3.33 C ATOM 1108 CE2 PHE A 71 -5.706 2.496 -0.988 1.00 3.14 C ATOM 1109 CZ PHE A 71 -6.121 2.711 0.335 1.00 3.15 C ATOM 0 H PHE A 71 -9.071 -3.236 -1.940 1.00 0.61 H new ATOM 0 HA PHE A 71 -9.583 -0.439 -1.192 1.00 1.04 H new ATOM 0 HB2 PHE A 71 -6.968 -1.545 -1.547 1.00 1.38 H new ATOM 0 HB3 PHE A 71 -7.355 -0.568 -2.949 1.00 1.38 H new ATOM 0 HD1 PHE A 71 -8.215 0.035 0.677 1.00 2.71 H new ATOM 0 HD2 PHE A 71 -5.890 1.244 -2.730 1.00 2.54 H new ATOM 0 HE1 PHE A 71 -7.349 1.982 1.952 1.00 3.33 H new ATOM 0 HE2 PHE A 71 -4.992 3.164 -1.446 1.00 3.14 H new ATOM 0 HZ PHE A 71 -5.741 3.554 0.893 1.00 3.15 H new ATOM 1119 N GLU A 72 -9.189 -2.166 -4.047 1.00 1.12 N ATOM 1120 CA GLU A 72 -9.647 -2.368 -5.423 1.00 1.49 C ATOM 1121 C GLU A 72 -10.486 -3.652 -5.560 1.00 1.72 C ATOM 1122 O GLU A 72 -11.541 -3.632 -6.188 1.00 3.21 O ATOM 1123 CB GLU A 72 -8.420 -2.394 -6.351 1.00 1.38 C ATOM 1124 CG GLU A 72 -8.772 -2.382 -7.847 1.00 1.53 C ATOM 1125 CD GLU A 72 -9.249 -1.015 -8.323 1.00 2.68 C ATOM 1126 OE1 GLU A 72 -10.461 -0.750 -8.184 1.00 3.47 O ATOM 1127 OE2 GLU A 72 -8.382 -0.261 -8.814 1.00 3.89 O ATOM 0 H GLU A 72 -8.422 -2.786 -3.787 1.00 1.12 H new ATOM 0 HA GLU A 72 -10.301 -1.544 -5.709 1.00 1.49 H new ATOM 0 HB2 GLU A 72 -7.790 -1.533 -6.129 1.00 1.38 H new ATOM 0 HB3 GLU A 72 -7.831 -3.285 -6.133 1.00 1.38 H new ATOM 0 HG2 GLU A 72 -7.897 -2.680 -8.425 1.00 1.53 H new ATOM 0 HG3 GLU A 72 -9.549 -3.122 -8.040 1.00 1.53 H new ATOM 1134 N SER A 73 -10.011 -4.766 -4.986 1.00 1.66 N ATOM 1135 CA SER A 73 -10.533 -6.121 -5.146 1.00 1.55 C ATOM 1136 C SER A 73 -10.012 -6.742 -6.442 1.00 1.62 C ATOM 1137 O SER A 73 -10.414 -6.360 -7.537 1.00 3.21 O ATOM 1138 CB SER A 73 -12.062 -6.221 -5.048 1.00 2.03 C ATOM 1139 OG SER A 73 -12.528 -5.643 -3.843 1.00 3.24 O ATOM 0 H SER A 73 -9.205 -4.739 -4.362 1.00 1.66 H new ATOM 0 HA SER A 73 -10.159 -6.695 -4.298 1.00 1.55 H new ATOM 0 HB2 SER A 73 -12.519 -5.716 -5.899 1.00 2.03 H new ATOM 0 HB3 SER A 73 -12.366 -7.267 -5.096 1.00 2.03 H new ATOM 0 HG SER A 73 -13.504 -5.716 -3.801 1.00 3.24 H new ATOM 1145 N GLY A 74 -9.117 -7.719 -6.304 1.00 1.21 N ATOM 1146 CA GLY A 74 -8.498 -8.428 -7.416 1.00 1.20 C ATOM 1147 C GLY A 74 -7.261 -7.682 -7.906 1.00 0.93 C ATOM 1148 O GLY A 74 -7.014 -7.589 -9.105 1.00 1.13 O ATOM 0 H GLY A 74 -8.796 -8.045 -5.392 1.00 1.21 H new ATOM 0 HA2 GLY A 74 -8.222 -9.435 -7.104 1.00 1.20 H new ATOM 0 HA3 GLY A 74 -9.214 -8.532 -8.232 1.00 1.20 H new ATOM 1152 N ALA A 75 -6.480 -7.160 -6.955 1.00 0.70 N ATOM 1153 CA ALA A 75 -5.237 -6.457 -7.219 1.00 0.65 C ATOM 1154 C ALA A 75 -4.064 -7.442 -7.331 1.00 0.77 C ATOM 1155 O ALA A 75 -4.268 -8.603 -7.684 1.00 1.34 O ATOM 1156 CB ALA A 75 -5.048 -5.401 -6.135 1.00 0.62 C ATOM 0 H ALA A 75 -6.706 -7.220 -5.962 1.00 0.70 H new ATOM 0 HA ALA A 75 -5.274 -5.948 -8.182 1.00 0.65 H new ATOM 0 HB1 ALA A 75 -4.119 -4.859 -6.313 1.00 0.62 H new ATOM 0 HB2 ALA A 75 -5.885 -4.703 -6.157 1.00 0.62 H new ATOM 0 HB3 ALA A 75 -5.005 -5.885 -5.159 1.00 0.62 H new ATOM 1162 N ARG A 76 -2.834 -6.993 -7.061 1.00 0.52 N ATOM 1163 CA ARG A 76 -1.613 -7.677 -7.486 1.00 0.54 C ATOM 1164 C ARG A 76 -0.951 -8.459 -6.353 1.00 0.56 C ATOM 1165 O ARG A 76 -0.014 -9.215 -6.586 1.00 0.89 O ATOM 1166 CB ARG A 76 -0.647 -6.631 -8.060 1.00 0.72 C ATOM 1167 CG ARG A 76 0.392 -7.225 -9.016 1.00 0.83 C ATOM 1168 CD ARG A 76 -0.303 -7.937 -10.186 1.00 1.08 C ATOM 1169 NE ARG A 76 0.505 -7.890 -11.410 1.00 1.75 N ATOM 1170 CZ ARG A 76 1.125 -8.931 -11.980 1.00 2.90 C ATOM 1171 NH1 ARG A 76 1.330 -10.070 -11.308 1.00 4.08 N ATOM 1172 NH2 ARG A 76 1.502 -8.854 -13.257 1.00 3.77 N ATOM 0 H ARG A 76 -2.659 -6.136 -6.536 1.00 0.52 H new ATOM 0 HA ARG A 76 -1.876 -8.413 -8.246 1.00 0.54 H new ATOM 0 HB2 ARG A 76 -1.220 -5.868 -8.586 1.00 0.72 H new ATOM 0 HB3 ARG A 76 -0.132 -6.133 -7.239 1.00 0.72 H new ATOM 0 HG2 ARG A 76 1.040 -6.435 -9.396 1.00 0.83 H new ATOM 0 HG3 ARG A 76 1.028 -7.929 -8.480 1.00 0.83 H new ATOM 0 HD2 ARG A 76 -0.495 -8.976 -9.917 1.00 1.08 H new ATOM 0 HD3 ARG A 76 -1.271 -7.472 -10.371 1.00 1.08 H new ATOM 0 HE ARG A 76 0.603 -6.984 -11.867 1.00 1.75 H new ATOM 0 HH11 ARG A 76 1.012 -10.157 -10.343 1.00 4.08 H new ATOM 0 HH12 ARG A 76 1.804 -10.851 -11.761 1.00 4.08 H new ATOM 0 HH21 ARG A 76 1.318 -8.006 -13.793 1.00 3.77 H new ATOM 0 HH22 ARG A 76 1.975 -9.643 -13.698 1.00 3.77 H new ATOM 1186 N GLU A 77 -1.448 -8.257 -5.138 1.00 0.58 N ATOM 1187 CA GLU A 77 -0.900 -8.633 -3.847 1.00 0.59 C ATOM 1188 C GLU A 77 -0.340 -10.056 -3.826 1.00 0.55 C ATOM 1189 O GLU A 77 0.689 -10.334 -3.216 1.00 0.66 O ATOM 1190 CB GLU A 77 -2.018 -8.471 -2.808 1.00 0.70 C ATOM 1191 CG GLU A 77 -2.955 -7.272 -3.021 1.00 1.08 C ATOM 1192 CD GLU A 77 -2.232 -6.010 -3.449 1.00 2.17 C ATOM 1193 OE1 GLU A 77 -1.775 -5.291 -2.539 1.00 2.98 O ATOM 1194 OE2 GLU A 77 -2.214 -5.782 -4.683 1.00 3.38 O ATOM 0 H GLU A 77 -2.339 -7.774 -5.026 1.00 0.58 H new ATOM 0 HA GLU A 77 -0.053 -7.985 -3.620 1.00 0.59 H new ATOM 0 HB2 GLU A 77 -2.618 -9.381 -2.802 1.00 0.70 H new ATOM 0 HB3 GLU A 77 -1.563 -8.382 -1.822 1.00 0.70 H new ATOM 0 HG2 GLU A 77 -3.697 -7.530 -3.776 1.00 1.08 H new ATOM 0 HG3 GLU A 77 -3.497 -7.075 -2.096 1.00 1.08 H new ATOM 1201 N LEU A 78 -1.058 -10.960 -4.494 1.00 0.50 N ATOM 1202 CA LEU A 78 -0.675 -12.350 -4.675 1.00 0.54 C ATOM 1203 C LEU A 78 0.762 -12.487 -5.201 1.00 0.50 C ATOM 1204 O LEU A 78 1.486 -13.370 -4.745 1.00 0.60 O ATOM 1205 CB LEU A 78 -1.653 -13.087 -5.605 1.00 0.66 C ATOM 1206 CG LEU A 78 -3.165 -12.956 -5.321 1.00 0.91 C ATOM 1207 CD1 LEU A 78 -3.519 -12.969 -3.829 1.00 1.08 C ATOM 1208 CD2 LEU A 78 -3.820 -11.758 -6.029 1.00 0.99 C ATOM 0 H LEU A 78 -1.949 -10.732 -4.935 1.00 0.50 H new ATOM 0 HA LEU A 78 -0.718 -12.815 -3.690 1.00 0.54 H new ATOM 0 HB2 LEU A 78 -1.473 -12.738 -6.622 1.00 0.66 H new ATOM 0 HB3 LEU A 78 -1.400 -14.147 -5.582 1.00 0.66 H new ATOM 0 HG LEU A 78 -3.591 -13.861 -5.755 1.00 0.91 H new ATOM 0 HD11 LEU A 78 -4.598 -12.873 -3.710 1.00 1.08 H new ATOM 0 HD12 LEU A 78 -3.187 -13.907 -3.384 1.00 1.08 H new ATOM 0 HD13 LEU A 78 -3.024 -12.136 -3.330 1.00 1.08 H new ATOM 0 HD21 LEU A 78 -4.882 -11.727 -5.785 1.00 0.99 H new ATOM 0 HD22 LEU A 78 -3.345 -10.835 -5.697 1.00 0.99 H new ATOM 0 HD23 LEU A 78 -3.698 -11.862 -7.107 1.00 0.99 H new ATOM 1220 N THR A 79 1.189 -11.649 -6.157 1.00 0.45 N ATOM 1221 CA THR A 79 2.589 -11.621 -6.560 1.00 0.46 C ATOM 1222 C THR A 79 3.425 -11.130 -5.383 1.00 0.38 C ATOM 1223 O THR A 79 3.437 -9.937 -5.065 1.00 0.37 O ATOM 1224 CB THR A 79 2.885 -10.712 -7.761 1.00 0.54 C ATOM 1225 OG1 THR A 79 2.138 -11.012 -8.915 1.00 0.80 O ATOM 1226 CG2 THR A 79 4.353 -10.930 -8.177 1.00 0.85 C ATOM 0 H THR A 79 0.588 -10.992 -6.656 1.00 0.45 H new ATOM 0 HA THR A 79 2.839 -12.638 -6.862 1.00 0.46 H new ATOM 0 HB THR A 79 2.641 -9.702 -7.433 1.00 0.54 H new ATOM 0 HG1 THR A 79 2.730 -11.391 -9.598 1.00 0.80 H new ATOM 0 HG21 THR A 79 4.588 -10.294 -9.030 1.00 0.85 H new ATOM 0 HG22 THR A 79 5.009 -10.676 -7.344 1.00 0.85 H new ATOM 0 HG23 THR A 79 4.502 -11.974 -8.451 1.00 0.85 H new ATOM 1234 N GLU A 80 4.194 -12.048 -4.806 1.00 0.41 N ATOM 1235 CA GLU A 80 5.105 -11.724 -3.731 1.00 0.44 C ATOM 1236 C GLU A 80 6.051 -10.602 -4.151 1.00 0.44 C ATOM 1237 O GLU A 80 6.185 -9.643 -3.409 1.00 0.54 O ATOM 1238 CB GLU A 80 5.811 -12.978 -3.213 1.00 0.56 C ATOM 1239 CG GLU A 80 6.634 -13.721 -4.276 1.00 1.92 C ATOM 1240 CD GLU A 80 7.191 -15.027 -3.724 1.00 2.10 C ATOM 1241 OE1 GLU A 80 7.715 -14.984 -2.590 1.00 3.17 O ATOM 1242 OE2 GLU A 80 7.077 -16.041 -4.446 1.00 2.55 O ATOM 0 H GLU A 80 4.198 -13.032 -5.074 1.00 0.41 H new ATOM 0 HA GLU A 80 4.541 -11.338 -2.882 1.00 0.44 H new ATOM 0 HB2 GLU A 80 6.469 -12.697 -2.391 1.00 0.56 H new ATOM 0 HB3 GLU A 80 5.064 -13.660 -2.806 1.00 0.56 H new ATOM 0 HG2 GLU A 80 6.010 -13.927 -5.145 1.00 1.92 H new ATOM 0 HG3 GLU A 80 7.453 -13.087 -4.615 1.00 1.92 H new ATOM 1249 N SER A 81 6.656 -10.663 -5.343 1.00 0.46 N ATOM 1250 CA SER A 81 7.525 -9.616 -5.867 1.00 0.51 C ATOM 1251 C SER A 81 6.882 -8.226 -5.782 1.00 0.51 C ATOM 1252 O SER A 81 7.430 -7.325 -5.151 1.00 0.60 O ATOM 1253 CB SER A 81 7.928 -9.953 -7.309 1.00 0.55 C ATOM 1254 OG SER A 81 8.061 -11.357 -7.445 1.00 1.28 O ATOM 0 H SER A 81 6.551 -11.456 -5.976 1.00 0.46 H new ATOM 0 HA SER A 81 8.419 -9.579 -5.244 1.00 0.51 H new ATOM 0 HB2 SER A 81 7.177 -9.579 -8.005 1.00 0.55 H new ATOM 0 HB3 SER A 81 8.868 -9.462 -7.560 1.00 0.55 H new ATOM 0 HG SER A 81 8.317 -11.574 -8.366 1.00 1.28 H new ATOM 1260 N GLU A 82 5.714 -8.054 -6.407 1.00 0.50 N ATOM 1261 CA GLU A 82 5.074 -6.755 -6.520 1.00 0.61 C ATOM 1262 C GLU A 82 4.677 -6.248 -5.129 1.00 0.67 C ATOM 1263 O GLU A 82 4.878 -5.076 -4.816 1.00 0.88 O ATOM 1264 CB GLU A 82 3.888 -6.820 -7.498 1.00 0.70 C ATOM 1265 CG GLU A 82 4.263 -7.460 -8.852 1.00 1.14 C ATOM 1266 CD GLU A 82 4.003 -6.591 -10.078 1.00 1.60 C ATOM 1267 OE1 GLU A 82 4.787 -5.644 -10.306 1.00 2.70 O ATOM 1268 OE2 GLU A 82 3.082 -6.967 -10.830 1.00 2.15 O ATOM 0 H GLU A 82 5.193 -8.813 -6.845 1.00 0.50 H new ATOM 0 HA GLU A 82 5.776 -6.033 -6.937 1.00 0.61 H new ATOM 0 HB2 GLU A 82 3.079 -7.391 -7.043 1.00 0.70 H new ATOM 0 HB3 GLU A 82 3.509 -5.812 -7.670 1.00 0.70 H new ATOM 0 HG2 GLU A 82 5.321 -7.722 -8.831 1.00 1.14 H new ATOM 0 HG3 GLU A 82 3.706 -8.391 -8.962 1.00 1.14 H new ATOM 1275 N THR A 83 4.168 -7.134 -4.264 1.00 0.55 N ATOM 1276 CA THR A 83 3.882 -6.757 -2.879 1.00 0.67 C ATOM 1277 C THR A 83 5.185 -6.339 -2.180 1.00 0.72 C ATOM 1278 O THR A 83 5.265 -5.330 -1.475 1.00 0.80 O ATOM 1279 CB THR A 83 3.143 -7.901 -2.145 1.00 0.70 C ATOM 1280 OG1 THR A 83 1.957 -7.385 -1.590 1.00 0.94 O ATOM 1281 CG2 THR A 83 3.900 -8.584 -0.995 1.00 0.73 C ATOM 0 H THR A 83 3.949 -8.103 -4.496 1.00 0.55 H new ATOM 0 HA THR A 83 3.212 -5.898 -2.859 1.00 0.67 H new ATOM 0 HB THR A 83 2.996 -8.661 -2.912 1.00 0.70 H new ATOM 0 HG1 THR A 83 1.477 -8.100 -1.122 1.00 0.94 H new ATOM 0 HG21 THR A 83 3.276 -9.367 -0.563 1.00 0.73 H new ATOM 0 HG22 THR A 83 4.822 -9.024 -1.376 1.00 0.73 H new ATOM 0 HG23 THR A 83 4.140 -7.847 -0.229 1.00 0.73 H new ATOM 1289 N LYS A 84 6.229 -7.136 -2.392 1.00 0.68 N ATOM 1290 CA LYS A 84 7.527 -6.978 -1.779 1.00 0.72 C ATOM 1291 C LYS A 84 8.143 -5.653 -2.204 1.00 0.76 C ATOM 1292 O LYS A 84 8.877 -5.061 -1.430 1.00 0.79 O ATOM 1293 CB LYS A 84 8.399 -8.209 -2.068 1.00 0.81 C ATOM 1294 CG LYS A 84 9.874 -8.060 -1.686 1.00 2.18 C ATOM 1295 CD LYS A 84 10.634 -7.235 -2.742 1.00 4.12 C ATOM 1296 CE LYS A 84 11.938 -7.898 -3.187 1.00 5.21 C ATOM 1297 NZ LYS A 84 12.516 -7.192 -4.351 1.00 7.10 N ATOM 0 H LYS A 84 6.183 -7.938 -3.021 1.00 0.68 H new ATOM 0 HA LYS A 84 7.437 -6.929 -0.694 1.00 0.72 H new ATOM 0 HB2 LYS A 84 7.985 -9.063 -1.532 1.00 0.81 H new ATOM 0 HB3 LYS A 84 8.336 -8.439 -3.132 1.00 0.81 H new ATOM 0 HG2 LYS A 84 9.955 -7.576 -0.713 1.00 2.18 H new ATOM 0 HG3 LYS A 84 10.331 -9.045 -1.591 1.00 2.18 H new ATOM 0 HD2 LYS A 84 9.993 -7.086 -3.611 1.00 4.12 H new ATOM 0 HD3 LYS A 84 10.854 -6.248 -2.336 1.00 4.12 H new ATOM 0 HE2 LYS A 84 12.652 -7.896 -2.363 1.00 5.21 H new ATOM 0 HE3 LYS A 84 11.752 -8.941 -3.444 1.00 5.21 H new ATOM 0 HZ1 LYS A 84 13.400 -7.659 -4.636 1.00 7.10 H new ATOM 0 HZ2 LYS A 84 11.841 -7.216 -5.142 1.00 7.10 H new ATOM 0 HZ3 LYS A 84 12.713 -6.204 -4.095 1.00 7.10 H new ATOM 1311 N SER A 85 7.869 -5.159 -3.408 1.00 0.78 N ATOM 1312 CA SER A 85 8.267 -3.820 -3.801 1.00 0.82 C ATOM 1313 C SER A 85 7.771 -2.777 -2.799 1.00 0.73 C ATOM 1314 O SER A 85 8.536 -1.891 -2.426 1.00 0.79 O ATOM 1315 CB SER A 85 7.774 -3.515 -5.211 1.00 0.91 C ATOM 1316 OG SER A 85 8.303 -4.460 -6.116 1.00 1.31 O ATOM 0 H SER A 85 7.368 -5.675 -4.131 1.00 0.78 H new ATOM 0 HA SER A 85 9.356 -3.772 -3.803 1.00 0.82 H new ATOM 0 HB2 SER A 85 6.685 -3.541 -5.239 1.00 0.91 H new ATOM 0 HB3 SER A 85 8.077 -2.509 -5.503 1.00 0.91 H new ATOM 0 HG SER A 85 8.181 -4.138 -7.034 1.00 1.31 H new ATOM 1322 N LEU A 86 6.520 -2.881 -2.331 1.00 0.62 N ATOM 1323 CA LEU A 86 6.068 -2.033 -1.233 1.00 0.53 C ATOM 1324 C LEU A 86 6.857 -2.377 0.022 1.00 0.43 C ATOM 1325 O LEU A 86 7.495 -1.488 0.591 1.00 0.44 O ATOM 1326 CB LEU A 86 4.556 -2.148 -0.984 1.00 0.64 C ATOM 1327 CG LEU A 86 3.778 -1.120 -1.809 1.00 1.12 C ATOM 1328 CD1 LEU A 86 2.319 -1.563 -1.938 1.00 2.17 C ATOM 1329 CD2 LEU A 86 3.820 0.274 -1.168 1.00 2.14 C ATOM 0 H LEU A 86 5.820 -3.531 -2.690 1.00 0.62 H new ATOM 0 HA LEU A 86 6.251 -0.995 -1.509 1.00 0.53 H new ATOM 0 HB2 LEU A 86 4.219 -3.153 -1.239 1.00 0.64 H new ATOM 0 HB3 LEU A 86 4.347 -2.001 0.076 1.00 0.64 H new ATOM 0 HG LEU A 86 4.248 -1.060 -2.791 1.00 1.12 H new ATOM 0 HD11 LEU A 86 1.767 -0.830 -2.526 1.00 2.17 H new ATOM 0 HD12 LEU A 86 2.276 -2.533 -2.434 1.00 2.17 H new ATOM 0 HD13 LEU A 86 1.874 -1.643 -0.946 1.00 2.17 H new ATOM 0 HD21 LEU A 86 3.256 0.975 -1.784 1.00 2.14 H new ATOM 0 HD22 LEU A 86 3.379 0.230 -0.172 1.00 2.14 H new ATOM 0 HD23 LEU A 86 4.855 0.609 -1.092 1.00 2.14 H new ATOM 1341 N MET A 87 6.819 -3.655 0.431 1.00 0.42 N ATOM 1342 CA MET A 87 7.492 -4.102 1.650 1.00 0.43 C ATOM 1343 C MET A 87 8.904 -3.506 1.782 1.00 0.49 C ATOM 1344 O MET A 87 9.288 -2.998 2.826 1.00 0.54 O ATOM 1345 CB MET A 87 7.571 -5.635 1.704 1.00 0.59 C ATOM 1346 CG MET A 87 7.912 -6.148 3.114 1.00 0.82 C ATOM 1347 SD MET A 87 9.024 -7.576 3.189 1.00 1.96 S ATOM 1348 CE MET A 87 8.101 -8.788 2.222 1.00 3.07 C ATOM 0 H MET A 87 6.327 -4.395 -0.070 1.00 0.42 H new ATOM 0 HA MET A 87 6.894 -3.744 2.488 1.00 0.43 H new ATOM 0 HB2 MET A 87 6.618 -6.058 1.385 1.00 0.59 H new ATOM 0 HB3 MET A 87 8.326 -5.984 0.999 1.00 0.59 H new ATOM 0 HG2 MET A 87 8.363 -5.331 3.678 1.00 0.82 H new ATOM 0 HG3 MET A 87 6.982 -6.409 3.619 1.00 0.82 H new ATOM 0 HE1 MET A 87 8.653 -9.728 2.194 1.00 3.07 H new ATOM 0 HE2 MET A 87 7.126 -8.953 2.681 1.00 3.07 H new ATOM 0 HE3 MET A 87 7.966 -8.416 1.206 1.00 3.07 H new ATOM 1358 N ALA A 88 9.667 -3.580 0.696 1.00 0.61 N ATOM 1359 CA ALA A 88 11.066 -3.224 0.571 1.00 0.73 C ATOM 1360 C ALA A 88 11.346 -1.793 1.030 1.00 0.65 C ATOM 1361 O ALA A 88 12.311 -1.563 1.753 1.00 0.73 O ATOM 1362 CB ALA A 88 11.481 -3.444 -0.890 1.00 0.89 C ATOM 0 H ALA A 88 9.287 -3.919 -0.188 1.00 0.61 H new ATOM 0 HA ALA A 88 11.660 -3.859 1.228 1.00 0.73 H new ATOM 0 HB1 ALA A 88 12.532 -3.183 -1.013 1.00 0.89 H new ATOM 0 HB2 ALA A 88 11.333 -4.491 -1.157 1.00 0.89 H new ATOM 0 HB3 ALA A 88 10.873 -2.815 -1.540 1.00 0.89 H new ATOM 1368 N ALA A 89 10.534 -0.828 0.592 1.00 0.59 N ATOM 1369 CA ALA A 89 10.717 0.563 0.994 1.00 0.57 C ATOM 1370 C ALA A 89 9.989 0.848 2.300 1.00 0.43 C ATOM 1371 O ALA A 89 10.499 1.577 3.145 1.00 0.49 O ATOM 1372 CB ALA A 89 10.190 1.499 -0.082 1.00 0.75 C ATOM 0 H ALA A 89 9.748 -0.986 -0.038 1.00 0.59 H new ATOM 0 HA ALA A 89 11.785 0.732 1.135 1.00 0.57 H new ATOM 0 HB1 ALA A 89 10.334 2.533 0.233 1.00 0.75 H new ATOM 0 HB2 ALA A 89 10.730 1.325 -1.012 1.00 0.75 H new ATOM 0 HB3 ALA A 89 9.128 1.312 -0.239 1.00 0.75 H new ATOM 1378 N ALA A 90 8.771 0.314 2.434 1.00 0.34 N ATOM 1379 CA ALA A 90 7.960 0.519 3.621 1.00 0.29 C ATOM 1380 C ALA A 90 8.735 0.103 4.867 1.00 0.26 C ATOM 1381 O ALA A 90 8.769 0.844 5.847 1.00 0.35 O ATOM 1382 CB ALA A 90 6.663 -0.275 3.493 1.00 0.29 C ATOM 0 H ALA A 90 8.328 -0.268 1.723 1.00 0.34 H new ATOM 0 HA ALA A 90 7.715 1.577 3.716 1.00 0.29 H new ATOM 0 HB1 ALA A 90 6.053 -0.122 4.383 1.00 0.29 H new ATOM 0 HB2 ALA A 90 6.114 0.064 2.615 1.00 0.29 H new ATOM 0 HB3 ALA A 90 6.894 -1.335 3.389 1.00 0.29 H new ATOM 1388 N ASP A 91 9.366 -1.073 4.822 1.00 0.24 N ATOM 1389 CA ASP A 91 10.157 -1.564 5.930 1.00 0.30 C ATOM 1390 C ASP A 91 11.468 -0.786 6.011 1.00 0.40 C ATOM 1391 O ASP A 91 12.529 -1.268 5.619 1.00 0.98 O ATOM 1392 CB ASP A 91 10.396 -3.076 5.851 1.00 0.31 C ATOM 1393 CG ASP A 91 11.011 -3.545 7.157 1.00 0.46 C ATOM 1394 OD1 ASP A 91 10.255 -3.734 8.138 1.00 0.82 O ATOM 1395 OD2 ASP A 91 12.246 -3.696 7.208 1.00 0.56 O ATOM 0 H ASP A 91 9.338 -1.700 4.018 1.00 0.24 H new ATOM 0 HA ASP A 91 9.594 -1.399 6.849 1.00 0.30 H new ATOM 0 HB2 ASP A 91 9.456 -3.597 5.668 1.00 0.31 H new ATOM 0 HB3 ASP A 91 11.058 -3.310 5.017 1.00 0.31 H new ATOM 1400 N ASN A 92 11.411 0.428 6.549 1.00 0.86 N ATOM 1401 CA ASN A 92 12.583 1.277 6.740 1.00 0.97 C ATOM 1402 C ASN A 92 13.420 0.831 7.951 1.00 0.89 C ATOM 1403 O ASN A 92 13.944 1.669 8.682 1.00 1.11 O ATOM 1404 CB ASN A 92 12.156 2.755 6.792 1.00 1.27 C ATOM 1405 CG ASN A 92 11.169 3.081 7.912 1.00 1.38 C ATOM 1406 OD1 ASN A 92 10.997 2.323 8.858 1.00 2.65 O ATOM 1407 ND2 ASN A 92 10.477 4.213 7.801 1.00 1.89 N ATOM 0 H ASN A 92 10.541 0.855 6.868 1.00 0.86 H new ATOM 0 HA ASN A 92 13.248 1.167 5.884 1.00 0.97 H new ATOM 0 HB2 ASN A 92 13.045 3.375 6.914 1.00 1.27 H new ATOM 0 HB3 ASN A 92 11.707 3.026 5.836 1.00 1.27 H new ATOM 0 HD21 ASN A 92 9.789 4.462 8.512 1.00 1.89 H new ATOM 0 HD22 ASN A 92 10.635 4.831 7.005 1.00 1.89 H new ATOM 1414 N ASP A 93 13.592 -0.488 8.110 1.00 0.79 N ATOM 1415 CA ASP A 93 14.353 -1.145 9.167 1.00 0.72 C ATOM 1416 C ASP A 93 15.340 -2.118 8.522 1.00 0.70 C ATOM 1417 O ASP A 93 16.548 -2.026 8.735 1.00 0.83 O ATOM 1418 CB ASP A 93 13.421 -1.975 10.064 1.00 0.72 C ATOM 1419 CG ASP A 93 12.608 -1.188 11.075 1.00 0.78 C ATOM 1420 OD1 ASP A 93 13.218 -0.417 11.843 1.00 1.23 O ATOM 1421 OD2 ASP A 93 11.380 -1.446 11.104 1.00 0.63 O ATOM 0 H ASP A 93 13.177 -1.159 7.464 1.00 0.79 H new ATOM 0 HA ASP A 93 14.860 -0.382 9.758 1.00 0.72 H new ATOM 0 HB2 ASP A 93 12.734 -2.531 9.426 1.00 0.72 H new ATOM 0 HB3 ASP A 93 14.022 -2.709 10.601 1.00 0.72 H new ATOM 1426 N GLY A 94 14.802 -3.084 7.772 1.00 0.61 N ATOM 1427 CA GLY A 94 15.489 -4.288 7.339 1.00 0.69 C ATOM 1428 C GLY A 94 15.028 -5.486 8.174 1.00 0.66 C ATOM 1429 O GLY A 94 15.858 -6.284 8.609 1.00 0.77 O ATOM 0 H GLY A 94 13.838 -3.040 7.441 1.00 0.61 H new ATOM 0 HA2 GLY A 94 15.288 -4.471 6.284 1.00 0.69 H new ATOM 0 HA3 GLY A 94 16.566 -4.158 7.440 1.00 0.69 H new ATOM 1433 N ASP A 95 13.711 -5.619 8.381 1.00 0.58 N ATOM 1434 CA ASP A 95 13.064 -6.753 9.035 1.00 0.64 C ATOM 1435 C ASP A 95 11.978 -7.346 8.119 1.00 0.72 C ATOM 1436 O ASP A 95 12.123 -8.489 7.689 1.00 0.98 O ATOM 1437 CB ASP A 95 12.604 -6.411 10.469 1.00 0.61 C ATOM 1438 CG ASP A 95 11.475 -5.403 10.573 1.00 0.75 C ATOM 1439 OD1 ASP A 95 10.334 -5.756 10.251 1.00 1.53 O ATOM 1440 OD2 ASP A 95 11.676 -4.240 10.967 1.00 1.88 O ATOM 0 H ASP A 95 13.044 -4.907 8.083 1.00 0.58 H new ATOM 0 HA ASP A 95 13.793 -7.550 9.184 1.00 0.64 H new ATOM 0 HB2 ASP A 95 12.291 -7.332 10.960 1.00 0.61 H new ATOM 0 HB3 ASP A 95 13.460 -6.029 11.025 1.00 0.61 H new ATOM 1445 N GLY A 96 10.917 -6.597 7.794 1.00 0.55 N ATOM 1446 CA GLY A 96 9.816 -7.034 6.938 1.00 0.58 C ATOM 1447 C GLY A 96 8.455 -6.807 7.602 1.00 0.63 C ATOM 1448 O GLY A 96 7.461 -6.555 6.923 1.00 0.79 O ATOM 0 H GLY A 96 10.801 -5.642 8.132 1.00 0.55 H new ATOM 0 HA2 GLY A 96 9.854 -6.493 5.992 1.00 0.58 H new ATOM 0 HA3 GLY A 96 9.935 -8.092 6.705 1.00 0.58 H new ATOM 1452 N LYS A 97 8.398 -6.881 8.934 1.00 0.62 N ATOM 1453 CA LYS A 97 7.253 -6.481 9.726 1.00 0.67 C ATOM 1454 C LYS A 97 7.186 -4.952 9.729 1.00 0.61 C ATOM 1455 O LYS A 97 8.023 -4.268 10.329 1.00 0.63 O ATOM 1456 CB LYS A 97 7.373 -7.049 11.146 1.00 0.80 C ATOM 1457 CG LYS A 97 7.504 -8.578 11.120 1.00 2.01 C ATOM 1458 CD LYS A 97 6.972 -9.171 12.434 1.00 2.21 C ATOM 1459 CE LYS A 97 7.121 -10.698 12.483 1.00 3.80 C ATOM 1460 NZ LYS A 97 8.522 -11.119 12.695 1.00 4.46 N ATOM 0 H LYS A 97 9.172 -7.231 9.498 1.00 0.62 H new ATOM 0 HA LYS A 97 6.330 -6.875 9.300 1.00 0.67 H new ATOM 0 HB2 LYS A 97 8.241 -6.615 11.643 1.00 0.80 H new ATOM 0 HB3 LYS A 97 6.497 -6.766 11.730 1.00 0.80 H new ATOM 0 HG2 LYS A 97 6.948 -8.985 10.276 1.00 2.01 H new ATOM 0 HG3 LYS A 97 8.548 -8.860 10.980 1.00 2.01 H new ATOM 0 HD2 LYS A 97 7.508 -8.728 13.274 1.00 2.21 H new ATOM 0 HD3 LYS A 97 5.921 -8.906 12.551 1.00 2.21 H new ATOM 0 HE2 LYS A 97 6.499 -11.096 13.285 1.00 3.80 H new ATOM 0 HE3 LYS A 97 6.752 -11.127 11.551 1.00 3.80 H new ATOM 0 HZ1 LYS A 97 8.572 -12.157 12.721 1.00 4.46 H new ATOM 0 HZ2 LYS A 97 9.113 -10.763 11.917 1.00 4.46 H new ATOM 0 HZ3 LYS A 97 8.868 -10.733 13.597 1.00 4.46 H new ATOM 1474 N ILE A 98 6.201 -4.409 9.019 1.00 0.65 N ATOM 1475 CA ILE A 98 6.046 -2.981 8.807 1.00 0.62 C ATOM 1476 C ILE A 98 5.035 -2.441 9.811 1.00 0.64 C ATOM 1477 O ILE A 98 3.867 -2.807 9.750 1.00 0.76 O ATOM 1478 CB ILE A 98 5.609 -2.778 7.352 1.00 0.58 C ATOM 1479 CG1 ILE A 98 6.838 -3.015 6.473 1.00 0.57 C ATOM 1480 CG2 ILE A 98 5.055 -1.380 7.061 1.00 0.60 C ATOM 1481 CD1 ILE A 98 6.450 -3.512 5.091 1.00 0.56 C ATOM 0 H ILE A 98 5.475 -4.965 8.567 1.00 0.65 H new ATOM 0 HA ILE A 98 6.975 -2.433 8.966 1.00 0.62 H new ATOM 0 HB ILE A 98 4.798 -3.476 7.146 1.00 0.58 H new ATOM 0 HG12 ILE A 98 7.404 -2.088 6.381 1.00 0.57 H new ATOM 0 HG13 ILE A 98 7.493 -3.743 6.951 1.00 0.57 H new ATOM 0 HG21 ILE A 98 4.767 -1.314 6.012 1.00 0.60 H new ATOM 0 HG22 ILE A 98 4.183 -1.196 7.689 1.00 0.60 H new ATOM 0 HG23 ILE A 98 5.820 -0.634 7.275 1.00 0.60 H new ATOM 0 HD11 ILE A 98 7.349 -3.669 4.495 1.00 0.56 H new ATOM 0 HD12 ILE A 98 5.906 -4.452 5.182 1.00 0.56 H new ATOM 0 HD13 ILE A 98 5.816 -2.772 4.603 1.00 0.56 H new ATOM 1493 N GLY A 99 5.448 -1.570 10.730 1.00 0.80 N ATOM 1494 CA GLY A 99 4.502 -0.900 11.609 1.00 0.84 C ATOM 1495 C GLY A 99 3.631 0.125 10.865 1.00 0.80 C ATOM 1496 O GLY A 99 3.951 0.569 9.760 1.00 0.69 O ATOM 0 H GLY A 99 6.424 -1.316 10.882 1.00 0.80 H new ATOM 0 HA2 GLY A 99 3.860 -1.644 12.080 1.00 0.84 H new ATOM 0 HA3 GLY A 99 5.047 -0.397 12.408 1.00 0.84 H new ATOM 1500 N ALA A 100 2.540 0.559 11.503 1.00 0.94 N ATOM 1501 CA ALA A 100 1.708 1.652 11.021 1.00 0.99 C ATOM 1502 C ALA A 100 2.570 2.903 10.908 1.00 0.90 C ATOM 1503 O ALA A 100 2.450 3.660 9.949 1.00 0.87 O ATOM 1504 CB ALA A 100 0.538 1.891 11.976 1.00 1.23 C ATOM 0 H ALA A 100 2.211 0.153 12.379 1.00 0.94 H new ATOM 0 HA ALA A 100 1.295 1.401 10.044 1.00 0.99 H new ATOM 0 HB1 ALA A 100 -0.075 2.711 11.602 1.00 1.23 H new ATOM 0 HB2 ALA A 100 -0.067 0.987 12.043 1.00 1.23 H new ATOM 0 HB3 ALA A 100 0.921 2.145 12.964 1.00 1.23 H new ATOM 1510 N GLU A 101 3.457 3.081 11.891 1.00 0.91 N ATOM 1511 CA GLU A 101 4.503 4.082 11.876 1.00 0.92 C ATOM 1512 C GLU A 101 5.313 4.019 10.581 1.00 0.73 C ATOM 1513 O GLU A 101 5.340 4.996 9.843 1.00 0.73 O ATOM 1514 CB GLU A 101 5.343 3.978 13.153 1.00 1.03 C ATOM 1515 CG GLU A 101 5.975 2.596 13.341 1.00 3.28 C ATOM 1516 CD GLU A 101 6.091 2.246 14.814 1.00 3.53 C ATOM 1517 OE1 GLU A 101 5.084 1.712 15.328 1.00 4.07 O ATOM 1518 OE2 GLU A 101 7.155 2.541 15.397 1.00 3.81 O ATOM 0 H GLU A 101 3.459 2.512 12.738 1.00 0.91 H new ATOM 0 HA GLU A 101 4.060 5.078 11.880 1.00 0.92 H new ATOM 0 HB2 GLU A 101 6.130 4.731 13.126 1.00 1.03 H new ATOM 0 HB3 GLU A 101 4.715 4.205 14.014 1.00 1.03 H new ATOM 0 HG2 GLU A 101 5.372 1.844 12.831 1.00 3.28 H new ATOM 0 HG3 GLU A 101 6.963 2.578 12.881 1.00 3.28 H new ATOM 1525 N GLU A 102 5.919 2.868 10.273 1.00 0.64 N ATOM 1526 CA GLU A 102 6.664 2.640 9.041 1.00 0.51 C ATOM 1527 C GLU A 102 5.817 3.042 7.819 1.00 0.51 C ATOM 1528 O GLU A 102 6.276 3.792 6.955 1.00 0.54 O ATOM 1529 CB GLU A 102 7.135 1.175 8.988 1.00 0.46 C ATOM 1530 CG GLU A 102 8.070 0.800 10.152 1.00 0.57 C ATOM 1531 CD GLU A 102 8.580 -0.630 10.056 1.00 0.54 C ATOM 1532 OE1 GLU A 102 9.345 -0.992 9.143 1.00 1.99 O ATOM 1533 OE2 GLU A 102 8.217 -1.487 10.891 1.00 1.96 O ATOM 0 H GLU A 102 5.902 2.055 10.889 1.00 0.64 H new ATOM 0 HA GLU A 102 7.554 3.269 9.021 1.00 0.51 H new ATOM 0 HB2 GLU A 102 6.265 0.519 9.003 1.00 0.46 H new ATOM 0 HB3 GLU A 102 7.651 0.999 8.044 1.00 0.46 H new ATOM 0 HG2 GLU A 102 8.918 1.484 10.166 1.00 0.57 H new ATOM 0 HG3 GLU A 102 7.540 0.930 11.095 1.00 0.57 H new ATOM 1540 N PHE A 103 4.557 2.590 7.768 1.00 0.54 N ATOM 1541 CA PHE A 103 3.635 2.971 6.699 1.00 0.63 C ATOM 1542 C PHE A 103 3.467 4.492 6.588 1.00 0.68 C ATOM 1543 O PHE A 103 3.733 5.057 5.532 1.00 0.71 O ATOM 1544 CB PHE A 103 2.270 2.271 6.838 1.00 0.70 C ATOM 1545 CG PHE A 103 2.010 1.229 5.766 1.00 1.21 C ATOM 1546 CD1 PHE A 103 1.769 1.627 4.437 1.00 1.57 C ATOM 1547 CD2 PHE A 103 2.111 -0.139 6.071 1.00 2.78 C ATOM 1548 CE1 PHE A 103 1.658 0.665 3.418 1.00 2.03 C ATOM 1549 CE2 PHE A 103 2.057 -1.098 5.043 1.00 3.54 C ATOM 1550 CZ PHE A 103 1.813 -0.700 3.719 1.00 2.82 C ATOM 0 H PHE A 103 4.155 1.957 8.460 1.00 0.54 H new ATOM 0 HA PHE A 103 4.088 2.628 5.769 1.00 0.63 H new ATOM 0 HB2 PHE A 103 2.213 1.795 7.817 1.00 0.70 H new ATOM 0 HB3 PHE A 103 1.481 3.022 6.802 1.00 0.70 H new ATOM 0 HD1 PHE A 103 1.669 2.676 4.200 1.00 1.57 H new ATOM 0 HD2 PHE A 103 2.230 -0.455 7.097 1.00 2.78 H new ATOM 0 HE1 PHE A 103 1.454 0.974 2.404 1.00 2.03 H new ATOM 0 HE2 PHE A 103 2.204 -2.143 5.273 1.00 3.54 H new ATOM 0 HZ PHE A 103 1.745 -1.439 2.935 1.00 2.82 H new ATOM 1560 N GLN A 104 2.989 5.162 7.642 1.00 0.76 N ATOM 1561 CA GLN A 104 2.758 6.606 7.624 1.00 0.83 C ATOM 1562 C GLN A 104 4.067 7.347 7.339 1.00 0.90 C ATOM 1563 O GLN A 104 4.029 8.358 6.657 1.00 1.06 O ATOM 1564 CB GLN A 104 2.129 7.079 8.942 1.00 0.93 C ATOM 1565 CG GLN A 104 1.496 8.469 8.756 1.00 1.05 C ATOM 1566 CD GLN A 104 1.252 9.188 10.076 1.00 1.57 C ATOM 1567 OE1 GLN A 104 1.873 10.204 10.366 1.00 2.16 O ATOM 1568 NE2 GLN A 104 0.329 8.685 10.888 1.00 3.10 N ATOM 0 H GLN A 104 2.752 4.717 8.529 1.00 0.76 H new ATOM 0 HA GLN A 104 2.053 6.834 6.824 1.00 0.83 H new ATOM 0 HB2 GLN A 104 1.372 6.367 9.269 1.00 0.93 H new ATOM 0 HB3 GLN A 104 2.888 7.118 9.723 1.00 0.93 H new ATOM 0 HG2 GLN A 104 2.148 9.079 8.130 1.00 1.05 H new ATOM 0 HG3 GLN A 104 0.550 8.364 8.224 1.00 1.05 H new ATOM 0 HE21 GLN A 104 -0.175 7.838 10.625 1.00 3.10 H new ATOM 0 HE22 GLN A 104 0.124 9.146 11.775 1.00 3.10 H new ATOM 1577 N GLU A 105 5.214 6.873 7.827 1.00 0.85 N ATOM 1578 CA GLU A 105 6.504 7.458 7.488 1.00 0.88 C ATOM 1579 C GLU A 105 6.697 7.433 5.975 1.00 0.85 C ATOM 1580 O GLU A 105 6.845 8.480 5.352 1.00 0.95 O ATOM 1581 CB GLU A 105 7.646 6.704 8.187 1.00 0.86 C ATOM 1582 CG GLU A 105 7.914 7.256 9.595 1.00 1.14 C ATOM 1583 CD GLU A 105 8.664 8.589 9.588 1.00 1.91 C ATOM 1584 OE1 GLU A 105 8.985 9.070 8.480 1.00 2.69 O ATOM 1585 OE2 GLU A 105 8.915 9.095 10.701 1.00 3.21 O ATOM 0 H GLU A 105 5.271 6.078 8.464 1.00 0.85 H new ATOM 0 HA GLU A 105 6.522 8.491 7.834 1.00 0.88 H new ATOM 0 HB2 GLU A 105 7.396 5.645 8.253 1.00 0.86 H new ATOM 0 HB3 GLU A 105 8.553 6.781 7.587 1.00 0.86 H new ATOM 0 HG2 GLU A 105 6.964 7.384 10.115 1.00 1.14 H new ATOM 0 HG3 GLU A 105 8.491 6.525 10.161 1.00 1.14 H new ATOM 1592 N MET A 106 6.679 6.237 5.376 1.00 0.72 N ATOM 1593 CA MET A 106 6.910 6.094 3.945 1.00 0.74 C ATOM 1594 C MET A 106 5.904 6.961 3.186 1.00 0.86 C ATOM 1595 O MET A 106 6.262 7.766 2.328 1.00 1.01 O ATOM 1596 CB MET A 106 6.834 4.606 3.557 1.00 0.76 C ATOM 1597 CG MET A 106 7.379 4.346 2.146 1.00 1.35 C ATOM 1598 SD MET A 106 6.298 4.803 0.764 1.00 3.58 S ATOM 1599 CE MET A 106 7.528 5.553 -0.325 1.00 3.86 C ATOM 0 H MET A 106 6.507 5.358 5.865 1.00 0.72 H new ATOM 0 HA MET A 106 7.907 6.441 3.675 1.00 0.74 H new ATOM 0 HB2 MET A 106 7.399 4.015 4.278 1.00 0.76 H new ATOM 0 HB3 MET A 106 5.798 4.270 3.612 1.00 0.76 H new ATOM 0 HG2 MET A 106 8.318 4.888 2.038 1.00 1.35 H new ATOM 0 HG3 MET A 106 7.612 3.285 2.060 1.00 1.35 H new ATOM 0 HE1 MET A 106 7.106 5.671 -1.323 1.00 3.86 H new ATOM 0 HE2 MET A 106 7.813 6.530 0.066 1.00 3.86 H new ATOM 0 HE3 MET A 106 8.408 4.912 -0.376 1.00 3.86 H new ATOM 1609 N VAL A 107 4.631 6.803 3.535 1.00 0.85 N ATOM 1610 CA VAL A 107 3.534 7.417 2.825 1.00 0.91 C ATOM 1611 C VAL A 107 3.448 8.931 3.068 1.00 1.20 C ATOM 1612 O VAL A 107 2.995 9.670 2.201 1.00 1.49 O ATOM 1613 CB VAL A 107 2.236 6.671 3.158 1.00 0.76 C ATOM 1614 CG1 VAL A 107 1.067 7.377 2.487 1.00 0.82 C ATOM 1615 CG2 VAL A 107 2.275 5.230 2.630 1.00 0.59 C ATOM 0 H VAL A 107 4.337 6.236 4.330 1.00 0.85 H new ATOM 0 HA VAL A 107 3.710 7.325 1.753 1.00 0.91 H new ATOM 0 HB VAL A 107 2.124 6.658 4.242 1.00 0.76 H new ATOM 0 HG11 VAL A 107 0.142 6.851 2.720 1.00 0.82 H new ATOM 0 HG12 VAL A 107 1.003 8.402 2.852 1.00 0.82 H new ATOM 0 HG13 VAL A 107 1.218 7.385 1.407 1.00 0.82 H new ATOM 0 HG21 VAL A 107 1.342 4.725 2.881 1.00 0.59 H new ATOM 0 HG22 VAL A 107 2.401 5.242 1.547 1.00 0.59 H new ATOM 0 HG23 VAL A 107 3.109 4.698 3.087 1.00 0.59 H new ATOM 1625 N HIS A 108 3.855 9.436 4.230 1.00 1.24 N ATOM 1626 CA HIS A 108 3.824 10.870 4.490 1.00 1.39 C ATOM 1627 C HIS A 108 5.183 11.511 4.189 1.00 1.71 C ATOM 1628 O HIS A 108 5.434 12.632 4.630 1.00 2.27 O ATOM 1629 CB HIS A 108 3.344 11.155 5.918 1.00 1.86 C ATOM 1630 CG HIS A 108 2.809 12.555 6.103 1.00 2.41 C ATOM 1631 ND1 HIS A 108 1.931 13.203 5.259 1.00 3.15 N ATOM 1632 CD2 HIS A 108 3.136 13.425 7.108 1.00 2.92 C ATOM 1633 CE1 HIS A 108 1.744 14.440 5.748 1.00 3.44 C ATOM 1634 NE2 HIS A 108 2.434 14.616 6.886 1.00 3.23 N ATOM 0 H HIS A 108 4.209 8.874 5.004 1.00 1.24 H new ATOM 0 HA HIS A 108 3.102 11.330 3.815 1.00 1.39 H new ATOM 0 HB2 HIS A 108 2.566 10.439 6.181 1.00 1.86 H new ATOM 0 HB3 HIS A 108 4.171 10.996 6.610 1.00 1.86 H new ATOM 0 HD2 HIS A 108 3.814 13.228 7.925 1.00 2.92 H new ATOM 0 HE1 HIS A 108 1.122 15.193 5.287 1.00 3.44 H new ATOM 0 HE2 HIS A 108 2.445 15.451 7.472 1.00 3.23 H new ATOM 1642 N SER A 109 6.055 10.800 3.467 1.00 1.53 N ATOM 1643 CA SER A 109 7.372 11.288 3.104 1.00 1.87 C ATOM 1644 C SER A 109 7.233 12.322 1.982 1.00 2.28 C ATOM 1645 O SER A 109 6.513 12.006 1.007 1.00 2.75 O ATOM 1646 CB SER A 109 8.241 10.098 2.667 1.00 1.73 C ATOM 1647 OG SER A 109 9.623 10.405 2.698 1.00 2.34 O ATOM 1648 OXT SER A 109 7.848 13.403 2.110 1.00 3.45 O ATOM 0 H SER A 109 5.856 9.862 3.119 1.00 1.53 H new ATOM 0 HA SER A 109 7.853 11.772 3.954 1.00 1.87 H new ATOM 0 HB2 SER A 109 8.045 9.248 3.320 1.00 1.73 H new ATOM 0 HB3 SER A 109 7.960 9.796 1.658 1.00 1.73 H new ATOM 0 HG SER A 109 10.139 9.621 2.415 1.00 2.34 H new TER 1654 SER A 109 HETATM 1655 CA CA A 110 9.989 -2.932 10.206 1.00 0.45 CA HETATM 1656 CA CA A 111 -1.337 -7.271 11.120 1.00 1.27 CA