USER MOD reduce.3.24.130724 H: found=0, std=0, add=576, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 579 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 Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 THR OG1 : rot 120:sc= 0.657 USER MOD Single : A 98 SER OG : rot -71:sc= -0.163 USER MOD Single : A 103 MET CE :methyl 157:sc= -0.395 (180deg=-2.03!) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 ASN : amide:sc= -3.54! C(o=-3.5!,f=-6.4!) USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 MET CE :methyl 154:sc= -6.96! (180deg=-7.84!) USER MOD Single : A 122 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 124 THR OG1 : rot 39:sc= 0.404 USER MOD Single : A 127 THR OG1 : rot 180:sc= 0 USER MOD Single : A 129 THR OG1 : rot 180:sc= 0 USER MOD Single : A 137 MET CE :methyl -114:sc= -6! (180deg=-7.21!) USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 142 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 143 ASN : amide:sc= -4.05! C(o=-4.1!,f=-12!) USER MOD Single : A 144 ASN : amide:sc= -1.19 K(o=-1.2,f=-0.26) USER MOD Single : A 150 TYR OH : rot 180:sc= -0.0563 USER MOD Single : A 157 MET CE :methyl -160:sc= -6.88! (180deg=-8.9!) USER MOD Single : A 158 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 86 54.960 -26.155 3.863 1.00 7.24 N ATOM 2 CA LYS A 86 56.055 -26.318 4.864 1.00 7.10 C ATOM 3 C LYS A 86 56.420 -24.963 5.475 1.00 6.94 C ATOM 4 O LYS A 86 56.195 -23.924 4.886 1.00 7.49 O ATOM 5 CB LYS A 86 57.233 -26.888 4.073 1.00 7.61 C ATOM 6 CG LYS A 86 56.839 -28.240 3.474 1.00 8.01 C ATOM 7 CD LYS A 86 57.561 -29.362 4.223 1.00 8.72 C ATOM 8 CE LYS A 86 58.976 -29.524 3.664 1.00 9.14 C ATOM 9 NZ LYS A 86 59.703 -30.324 4.687 1.00 9.95 N ATOM 0 HA LYS A 86 55.767 -26.969 5.690 1.00 7.10 H new ATOM 0 HB2 LYS A 86 57.521 -26.197 3.281 1.00 7.61 H new ATOM 0 HB3 LYS A 86 58.099 -27.005 4.724 1.00 7.61 H new ATOM 0 HG2 LYS A 86 55.760 -28.379 3.542 1.00 8.01 H new ATOM 0 HG3 LYS A 86 57.098 -28.270 2.416 1.00 8.01 H new ATOM 0 HD2 LYS A 86 57.604 -29.133 5.288 1.00 8.72 H new ATOM 0 HD3 LYS A 86 57.009 -30.296 4.119 1.00 8.72 H new ATOM 0 HE2 LYS A 86 58.964 -30.033 2.700 1.00 9.14 H new ATOM 0 HE3 LYS A 86 59.452 -28.556 3.508 1.00 9.14 H new ATOM 0 HZ1 LYS A 86 60.683 -30.478 4.375 1.00 9.95 H new ATOM 0 HZ2 LYS A 86 59.704 -29.812 5.592 1.00 9.95 H new ATOM 0 HZ3 LYS A 86 59.231 -31.242 4.809 1.00 9.95 H new ATOM 25 N ASP A 87 56.982 -24.965 6.654 1.00 6.50 N ATOM 26 CA ASP A 87 57.360 -23.677 7.303 1.00 6.70 C ATOM 27 C ASP A 87 58.868 -23.448 7.189 1.00 6.03 C ATOM 28 O ASP A 87 59.409 -22.517 7.752 1.00 6.49 O ATOM 29 CB ASP A 87 56.955 -23.839 8.769 1.00 7.25 C ATOM 30 CG ASP A 87 55.850 -22.837 9.108 1.00 7.77 C ATOM 31 OD1 ASP A 87 55.279 -22.280 8.185 1.00 8.12 O ATOM 32 OD2 ASP A 87 55.593 -22.645 10.285 1.00 8.06 O ATOM 0 H ASP A 87 57.195 -25.803 7.195 1.00 6.50 H new ATOM 0 HA ASP A 87 56.872 -22.822 6.835 1.00 6.70 H new ATOM 0 HB2 ASP A 87 56.607 -24.856 8.951 1.00 7.25 H new ATOM 0 HB3 ASP A 87 57.818 -23.677 9.415 1.00 7.25 H new ATOM 37 N ASP A 88 59.552 -24.290 6.464 1.00 5.23 N ATOM 38 CA ASP A 88 61.026 -24.121 6.315 1.00 5.00 C ATOM 39 C ASP A 88 61.377 -23.790 4.864 1.00 4.51 C ATOM 40 O ASP A 88 62.441 -23.283 4.572 1.00 4.82 O ATOM 41 CB ASP A 88 61.621 -25.471 6.715 1.00 5.14 C ATOM 42 CG ASP A 88 62.935 -25.248 7.466 1.00 5.52 C ATOM 43 OD1 ASP A 88 62.934 -24.468 8.403 1.00 5.85 O ATOM 44 OD2 ASP A 88 63.920 -25.862 7.090 1.00 5.82 O ATOM 0 H ASP A 88 59.154 -25.088 5.968 1.00 5.23 H new ATOM 0 HA ASP A 88 61.412 -23.307 6.928 1.00 5.00 H new ATOM 0 HB2 ASP A 88 60.919 -26.018 7.344 1.00 5.14 H new ATOM 0 HB3 ASP A 88 61.796 -26.080 5.828 1.00 5.14 H new ATOM 49 N SER A 89 60.489 -24.072 3.950 1.00 4.24 N ATOM 50 CA SER A 89 60.775 -23.774 2.518 1.00 4.26 C ATOM 51 C SER A 89 59.855 -22.659 2.015 1.00 3.50 C ATOM 52 O SER A 89 58.928 -22.897 1.267 1.00 3.81 O ATOM 53 CB SER A 89 60.487 -25.079 1.779 1.00 5.08 C ATOM 54 OG SER A 89 61.673 -25.522 1.131 1.00 5.76 O ATOM 0 H SER A 89 59.579 -24.495 4.133 1.00 4.24 H new ATOM 0 HA SER A 89 61.799 -23.434 2.363 1.00 4.26 H new ATOM 0 HB2 SER A 89 60.136 -25.837 2.479 1.00 5.08 H new ATOM 0 HB3 SER A 89 59.693 -24.929 1.047 1.00 5.08 H new ATOM 0 HG SER A 89 61.493 -26.361 0.657 1.00 5.76 H new ATOM 60 N LYS A 90 60.106 -21.443 2.417 1.00 3.10 N ATOM 61 CA LYS A 90 59.246 -20.315 1.958 1.00 3.08 C ATOM 62 C LYS A 90 59.679 -19.861 0.562 1.00 2.72 C ATOM 63 O LYS A 90 59.037 -20.159 -0.426 1.00 3.21 O ATOM 64 CB LYS A 90 59.474 -19.201 2.980 1.00 3.94 C ATOM 65 CG LYS A 90 58.821 -17.910 2.483 1.00 4.74 C ATOM 66 CD LYS A 90 58.874 -16.854 3.589 1.00 5.61 C ATOM 67 CE LYS A 90 60.110 -15.971 3.393 1.00 6.53 C ATOM 68 NZ LYS A 90 60.468 -15.504 4.762 1.00 7.32 N ATOM 0 H LYS A 90 60.868 -21.182 3.043 1.00 3.10 H new ATOM 0 HA LYS A 90 58.195 -20.595 1.891 1.00 3.08 H new ATOM 0 HB2 LYS A 90 59.053 -19.486 3.944 1.00 3.94 H new ATOM 0 HB3 LYS A 90 60.542 -19.046 3.132 1.00 3.94 H new ATOM 0 HG2 LYS A 90 59.337 -17.547 1.594 1.00 4.74 H new ATOM 0 HG3 LYS A 90 57.787 -18.100 2.196 1.00 4.74 H new ATOM 0 HD2 LYS A 90 57.971 -16.244 3.568 1.00 5.61 H new ATOM 0 HD3 LYS A 90 58.910 -17.336 4.566 1.00 5.61 H new ATOM 0 HE2 LYS A 90 60.928 -16.531 2.940 1.00 6.53 H new ATOM 0 HE3 LYS A 90 59.895 -15.131 2.733 1.00 6.53 H new ATOM 0 HZ1 LYS A 90 61.307 -14.892 4.712 1.00 7.32 H new ATOM 0 HZ2 LYS A 90 59.673 -14.968 5.165 1.00 7.32 H new ATOM 0 HZ3 LYS A 90 60.674 -16.325 5.366 1.00 7.32 H new ATOM 82 N GLY A 91 60.765 -19.142 0.472 1.00 2.57 N ATOM 83 CA GLY A 91 61.239 -18.671 -0.859 1.00 2.96 C ATOM 84 C GLY A 91 61.410 -17.152 -0.833 1.00 2.68 C ATOM 85 O GLY A 91 60.587 -16.415 -1.340 1.00 2.94 O ATOM 0 H GLY A 91 61.344 -18.861 1.263 1.00 2.57 H new ATOM 0 HA2 GLY A 91 62.186 -19.150 -1.110 1.00 2.96 H new ATOM 0 HA3 GLY A 91 60.524 -18.954 -1.632 1.00 2.96 H new ATOM 89 N LYS A 92 62.474 -16.675 -0.245 1.00 2.54 N ATOM 90 CA LYS A 92 62.694 -15.201 -0.188 1.00 2.34 C ATOM 91 C LYS A 92 64.097 -14.895 0.342 1.00 2.22 C ATOM 92 O LYS A 92 64.365 -15.010 1.520 1.00 2.57 O ATOM 93 CB LYS A 92 61.632 -14.679 0.777 1.00 2.51 C ATOM 94 CG LYS A 92 60.871 -13.526 0.121 1.00 2.46 C ATOM 95 CD LYS A 92 60.543 -12.465 1.173 1.00 2.69 C ATOM 96 CE LYS A 92 59.056 -12.115 1.099 1.00 2.82 C ATOM 97 NZ LYS A 92 58.783 -11.332 2.335 1.00 3.39 N ATOM 0 H LYS A 92 63.199 -17.240 0.197 1.00 2.54 H new ATOM 0 HA LYS A 92 62.617 -14.734 -1.170 1.00 2.34 H new ATOM 0 HB2 LYS A 92 60.942 -15.480 1.043 1.00 2.51 H new ATOM 0 HB3 LYS A 92 62.100 -14.341 1.702 1.00 2.51 H new ATOM 0 HG2 LYS A 92 61.471 -13.088 -0.677 1.00 2.46 H new ATOM 0 HG3 LYS A 92 59.953 -13.896 -0.336 1.00 2.46 H new ATOM 0 HD2 LYS A 92 60.791 -12.835 2.168 1.00 2.69 H new ATOM 0 HD3 LYS A 92 61.146 -11.573 1.005 1.00 2.69 H new ATOM 0 HE2 LYS A 92 58.832 -11.533 0.205 1.00 2.82 H new ATOM 0 HE3 LYS A 92 58.441 -13.014 1.057 1.00 2.82 H new ATOM 0 HZ1 LYS A 92 57.781 -11.055 2.356 1.00 3.39 H new ATOM 0 HZ2 LYS A 92 58.999 -11.914 3.169 1.00 3.39 H new ATOM 0 HZ3 LYS A 92 59.378 -10.479 2.344 1.00 3.39 H new ATOM 111 N THR A 93 64.993 -14.504 -0.522 1.00 1.93 N ATOM 112 CA THR A 93 66.377 -14.189 -0.068 1.00 1.88 C ATOM 113 C THR A 93 66.721 -12.733 -0.395 1.00 1.62 C ATOM 114 O THR A 93 65.858 -11.934 -0.698 1.00 1.47 O ATOM 115 CB THR A 93 67.277 -15.144 -0.854 1.00 1.99 C ATOM 116 OG1 THR A 93 66.843 -15.197 -2.205 1.00 2.05 O ATOM 117 CG2 THR A 93 67.204 -16.541 -0.236 1.00 2.53 C ATOM 0 H THR A 93 64.827 -14.389 -1.522 1.00 1.93 H new ATOM 0 HA THR A 93 66.498 -14.309 1.009 1.00 1.88 H new ATOM 0 HB THR A 93 68.306 -14.787 -0.817 1.00 1.99 H new ATOM 0 HG1 THR A 93 67.565 -14.892 -2.793 1.00 2.05 H new ATOM 0 HG21 THR A 93 67.846 -17.221 -0.797 1.00 2.53 H new ATOM 0 HG22 THR A 93 67.539 -16.498 0.801 1.00 2.53 H new ATOM 0 HG23 THR A 93 66.176 -16.901 -0.271 1.00 2.53 H new ATOM 125 N GLU A 94 67.976 -12.384 -0.336 1.00 1.64 N ATOM 126 CA GLU A 94 68.375 -10.980 -0.640 1.00 1.49 C ATOM 127 C GLU A 94 67.911 -10.588 -2.046 1.00 1.41 C ATOM 128 O GLU A 94 67.723 -9.426 -2.347 1.00 1.36 O ATOM 129 CB GLU A 94 69.901 -10.977 -0.561 1.00 1.64 C ATOM 130 CG GLU A 94 70.354 -10.016 0.539 1.00 1.85 C ATOM 131 CD GLU A 94 71.873 -10.099 0.697 1.00 2.27 C ATOM 132 OE1 GLU A 94 72.456 -11.019 0.148 1.00 2.65 O ATOM 133 OE2 GLU A 94 72.428 -9.241 1.364 1.00 2.83 O ATOM 0 H GLU A 94 68.743 -13.010 -0.090 1.00 1.64 H new ATOM 0 HA GLU A 94 67.928 -10.266 0.052 1.00 1.49 H new ATOM 0 HB2 GLU A 94 70.267 -11.983 -0.353 1.00 1.64 H new ATOM 0 HB3 GLU A 94 70.325 -10.675 -1.519 1.00 1.64 H new ATOM 0 HG2 GLU A 94 70.059 -8.997 0.290 1.00 1.85 H new ATOM 0 HG3 GLU A 94 69.866 -10.268 1.480 1.00 1.85 H new ATOM 140 N GLU A 95 67.727 -11.549 -2.909 1.00 1.47 N ATOM 141 CA GLU A 95 67.278 -11.231 -4.296 1.00 1.49 C ATOM 142 C GLU A 95 65.852 -10.671 -4.279 1.00 1.39 C ATOM 143 O GLU A 95 65.535 -9.735 -4.984 1.00 1.40 O ATOM 144 CB GLU A 95 67.324 -12.565 -5.042 1.00 1.68 C ATOM 145 CG GLU A 95 68.729 -12.787 -5.604 1.00 2.03 C ATOM 146 CD GLU A 95 69.621 -13.394 -4.521 1.00 2.24 C ATOM 147 OE1 GLU A 95 69.126 -14.209 -3.760 1.00 2.56 O ATOM 148 OE2 GLU A 95 70.786 -13.035 -4.471 1.00 2.72 O ATOM 0 H GLU A 95 67.868 -12.540 -2.715 1.00 1.47 H new ATOM 0 HA GLU A 95 67.906 -10.477 -4.770 1.00 1.49 H new ATOM 0 HB2 GLU A 95 67.057 -13.380 -4.369 1.00 1.68 H new ATOM 0 HB3 GLU A 95 66.593 -12.567 -5.850 1.00 1.68 H new ATOM 0 HG2 GLU A 95 68.686 -13.450 -6.468 1.00 2.03 H new ATOM 0 HG3 GLU A 95 69.148 -11.841 -5.948 1.00 2.03 H new ATOM 155 N GLU A 96 64.990 -11.238 -3.480 1.00 1.38 N ATOM 156 CA GLU A 96 63.587 -10.737 -3.421 1.00 1.34 C ATOM 157 C GLU A 96 63.550 -9.332 -2.814 1.00 1.16 C ATOM 158 O GLU A 96 62.578 -8.615 -2.943 1.00 1.07 O ATOM 159 CB GLU A 96 62.848 -11.729 -2.521 1.00 1.51 C ATOM 160 CG GLU A 96 61.715 -12.386 -3.309 1.00 2.07 C ATOM 161 CD GLU A 96 62.298 -13.402 -4.293 1.00 2.19 C ATOM 162 OE1 GLU A 96 62.763 -14.435 -3.840 1.00 2.60 O ATOM 163 OE2 GLU A 96 62.271 -13.129 -5.481 1.00 2.61 O ATOM 0 H GLU A 96 65.196 -12.026 -2.866 1.00 1.38 H new ATOM 0 HA GLU A 96 63.133 -10.667 -4.410 1.00 1.34 H new ATOM 0 HB2 GLU A 96 63.539 -12.489 -2.155 1.00 1.51 H new ATOM 0 HB3 GLU A 96 62.447 -11.215 -1.647 1.00 1.51 H new ATOM 0 HG2 GLU A 96 61.023 -12.880 -2.627 1.00 2.07 H new ATOM 0 HG3 GLU A 96 61.146 -11.628 -3.847 1.00 2.07 H new ATOM 170 N LEU A 97 64.602 -8.933 -2.154 1.00 1.14 N ATOM 171 CA LEU A 97 64.627 -7.575 -1.540 1.00 0.99 C ATOM 172 C LEU A 97 64.942 -6.520 -2.602 1.00 0.82 C ATOM 173 O LEU A 97 64.478 -5.398 -2.534 1.00 0.70 O ATOM 174 CB LEU A 97 65.741 -7.632 -0.495 1.00 1.03 C ATOM 175 CG LEU A 97 65.215 -8.306 0.775 1.00 1.31 C ATOM 176 CD1 LEU A 97 66.312 -9.186 1.377 1.00 1.57 C ATOM 177 CD2 LEU A 97 64.810 -7.233 1.788 1.00 1.71 C ATOM 0 H LEU A 97 65.446 -9.489 -2.013 1.00 1.14 H new ATOM 0 HA LEU A 97 63.668 -7.305 -1.099 1.00 0.99 H new ATOM 0 HB2 LEU A 97 66.594 -8.186 -0.887 1.00 1.03 H new ATOM 0 HB3 LEU A 97 66.092 -6.626 -0.267 1.00 1.03 H new ATOM 0 HG LEU A 97 64.350 -8.922 0.529 1.00 1.31 H new ATOM 0 HD11 LEU A 97 65.938 -9.666 2.281 1.00 1.57 H new ATOM 0 HD12 LEU A 97 66.604 -9.949 0.655 1.00 1.57 H new ATOM 0 HD13 LEU A 97 67.177 -8.571 1.624 1.00 1.57 H new ATOM 0 HD21 LEU A 97 64.435 -7.710 2.693 1.00 1.71 H new ATOM 0 HD22 LEU A 97 65.676 -6.619 2.034 1.00 1.71 H new ATOM 0 HD23 LEU A 97 64.030 -6.604 1.360 1.00 1.71 H new ATOM 189 N SER A 98 65.727 -6.869 -3.584 1.00 0.87 N ATOM 190 CA SER A 98 66.068 -5.883 -4.649 1.00 0.78 C ATOM 191 C SER A 98 64.911 -5.757 -5.642 1.00 0.75 C ATOM 192 O SER A 98 64.477 -4.671 -5.968 1.00 0.74 O ATOM 193 CB SER A 98 67.306 -6.454 -5.338 1.00 0.93 C ATOM 194 OG SER A 98 66.907 -7.441 -6.280 1.00 1.41 O ATOM 0 H SER A 98 66.146 -7.792 -3.695 1.00 0.87 H new ATOM 0 HA SER A 98 66.250 -4.887 -4.246 1.00 0.78 H new ATOM 0 HB2 SER A 98 67.857 -5.658 -5.839 1.00 0.93 H new ATOM 0 HB3 SER A 98 67.978 -6.891 -4.599 1.00 0.93 H new ATOM 0 HG SER A 98 66.593 -8.239 -5.805 1.00 1.41 H new ATOM 200 N ASP A 99 64.407 -6.859 -6.126 1.00 0.80 N ATOM 201 CA ASP A 99 63.276 -6.799 -7.097 1.00 0.82 C ATOM 202 C ASP A 99 62.174 -5.878 -6.566 1.00 0.77 C ATOM 203 O ASP A 99 61.522 -5.178 -7.315 1.00 0.77 O ATOM 204 CB ASP A 99 62.769 -8.237 -7.203 1.00 0.93 C ATOM 205 CG ASP A 99 63.721 -9.052 -8.080 1.00 1.45 C ATOM 206 OD1 ASP A 99 64.650 -8.467 -8.613 1.00 1.92 O ATOM 207 OD2 ASP A 99 63.506 -10.246 -8.204 1.00 2.18 O ATOM 0 H ASP A 99 64.729 -7.798 -5.892 1.00 0.80 H new ATOM 0 HA ASP A 99 63.582 -6.403 -8.065 1.00 0.82 H new ATOM 0 HB2 ASP A 99 62.700 -8.683 -6.211 1.00 0.93 H new ATOM 0 HB3 ASP A 99 61.766 -8.249 -7.629 1.00 0.93 H new ATOM 212 N LEU A 100 61.962 -5.874 -5.279 1.00 0.77 N ATOM 213 CA LEU A 100 60.903 -5.000 -4.698 1.00 0.77 C ATOM 214 C LEU A 100 61.289 -3.525 -4.849 1.00 0.64 C ATOM 215 O LEU A 100 60.496 -2.705 -5.265 1.00 0.64 O ATOM 216 CB LEU A 100 60.841 -5.389 -3.220 1.00 0.85 C ATOM 217 CG LEU A 100 59.383 -5.413 -2.757 1.00 1.16 C ATOM 218 CD1 LEU A 100 59.160 -6.612 -1.833 1.00 1.54 C ATOM 219 CD2 LEU A 100 59.069 -4.122 -1.999 1.00 1.57 C ATOM 0 H LEU A 100 62.477 -6.439 -4.603 1.00 0.77 H new ATOM 0 HA LEU A 100 59.942 -5.127 -5.196 1.00 0.77 H new ATOM 0 HB2 LEU A 100 61.296 -6.368 -3.072 1.00 0.85 H new ATOM 0 HB3 LEU A 100 61.411 -4.678 -2.622 1.00 0.85 H new ATOM 0 HG LEU A 100 58.728 -5.496 -3.624 1.00 1.16 H new ATOM 0 HD11 LEU A 100 58.121 -6.629 -1.503 1.00 1.54 H new ATOM 0 HD12 LEU A 100 59.385 -7.533 -2.371 1.00 1.54 H new ATOM 0 HD13 LEU A 100 59.815 -6.530 -0.965 1.00 1.54 H new ATOM 0 HD21 LEU A 100 58.030 -4.138 -1.668 1.00 1.57 H new ATOM 0 HD22 LEU A 100 59.725 -4.040 -1.132 1.00 1.57 H new ATOM 0 HD23 LEU A 100 59.228 -3.267 -2.656 1.00 1.57 H new ATOM 231 N PHE A 101 62.501 -3.183 -4.511 1.00 0.60 N ATOM 232 CA PHE A 101 62.940 -1.763 -4.630 1.00 0.53 C ATOM 233 C PHE A 101 62.805 -1.283 -6.079 1.00 0.49 C ATOM 234 O PHE A 101 62.261 -0.230 -6.346 1.00 0.61 O ATOM 235 CB PHE A 101 64.407 -1.767 -4.201 1.00 0.57 C ATOM 236 CG PHE A 101 64.981 -0.378 -4.345 1.00 0.46 C ATOM 237 CD1 PHE A 101 65.184 0.167 -5.618 1.00 1.31 C ATOM 238 CD2 PHE A 101 65.310 0.364 -3.204 1.00 1.23 C ATOM 239 CE1 PHE A 101 65.717 1.454 -5.751 1.00 1.30 C ATOM 240 CE2 PHE A 101 65.842 1.652 -3.338 1.00 1.23 C ATOM 241 CZ PHE A 101 66.045 2.197 -4.611 1.00 0.40 C ATOM 0 H PHE A 101 63.209 -3.827 -4.157 1.00 0.60 H new ATOM 0 HA PHE A 101 62.337 -1.092 -4.018 1.00 0.53 H new ATOM 0 HB2 PHE A 101 64.493 -2.101 -3.167 1.00 0.57 H new ATOM 0 HB3 PHE A 101 64.973 -2.470 -4.812 1.00 0.57 H new ATOM 0 HD1 PHE A 101 64.929 -0.406 -6.498 1.00 1.31 H new ATOM 0 HD2 PHE A 101 65.154 -0.057 -2.222 1.00 1.23 H new ATOM 0 HE1 PHE A 101 65.875 1.874 -6.733 1.00 1.30 H new ATOM 0 HE2 PHE A 101 66.096 2.225 -2.459 1.00 1.23 H new ATOM 0 HZ PHE A 101 66.455 3.191 -4.714 1.00 0.40 H new ATOM 251 N ARG A 102 63.302 -2.045 -7.013 1.00 0.53 N ATOM 252 CA ARG A 102 63.207 -1.633 -8.444 1.00 0.70 C ATOM 253 C ARG A 102 61.757 -1.708 -8.929 1.00 0.80 C ATOM 254 O ARG A 102 61.374 -1.044 -9.871 1.00 1.09 O ATOM 255 CB ARG A 102 64.075 -2.637 -9.201 1.00 0.87 C ATOM 256 CG ARG A 102 65.135 -1.890 -10.013 1.00 1.28 C ATOM 257 CD ARG A 102 66.275 -2.846 -10.365 1.00 1.83 C ATOM 258 NE ARG A 102 67.365 -1.972 -10.880 1.00 2.26 N ATOM 259 CZ ARG A 102 68.056 -2.336 -11.925 1.00 2.89 C ATOM 260 NH1 ARG A 102 69.140 -3.048 -11.777 1.00 3.68 N ATOM 261 NH2 ARG A 102 67.662 -1.987 -13.120 1.00 3.22 N ATOM 0 H ARG A 102 63.770 -2.936 -6.849 1.00 0.53 H new ATOM 0 HA ARG A 102 63.537 -0.606 -8.597 1.00 0.70 H new ATOM 0 HB2 ARG A 102 64.554 -3.320 -8.500 1.00 0.87 H new ATOM 0 HB3 ARG A 102 63.455 -3.242 -9.863 1.00 0.87 H new ATOM 0 HG2 ARG A 102 64.692 -1.484 -10.923 1.00 1.28 H new ATOM 0 HG3 ARG A 102 65.518 -1.045 -9.441 1.00 1.28 H new ATOM 0 HD2 ARG A 102 66.601 -3.410 -9.491 1.00 1.83 H new ATOM 0 HD3 ARG A 102 65.964 -3.572 -11.116 1.00 1.83 H new ATOM 0 HE ARG A 102 67.572 -1.088 -10.415 1.00 2.26 H new ATOM 0 HH11 ARG A 102 69.448 -3.320 -10.843 1.00 3.68 H new ATOM 0 HH12 ARG A 102 69.679 -3.332 -12.595 1.00 3.68 H new ATOM 0 HH21 ARG A 102 66.815 -1.431 -13.235 1.00 3.22 H new ATOM 0 HH22 ARG A 102 68.201 -2.271 -13.938 1.00 3.22 H new ATOM 275 N MET A 103 60.950 -2.517 -8.299 1.00 0.68 N ATOM 276 CA MET A 103 59.528 -2.636 -8.733 1.00 0.81 C ATOM 277 C MET A 103 58.648 -1.640 -7.974 1.00 0.79 C ATOM 278 O MET A 103 57.452 -1.574 -8.181 1.00 0.90 O ATOM 279 CB MET A 103 59.129 -4.072 -8.389 1.00 0.91 C ATOM 280 CG MET A 103 57.881 -4.456 -9.184 1.00 1.35 C ATOM 281 SD MET A 103 57.574 -6.230 -9.007 1.00 1.92 S ATOM 282 CE MET A 103 57.651 -6.295 -7.201 1.00 1.63 C ATOM 0 H MET A 103 61.212 -3.100 -7.504 1.00 0.68 H new ATOM 0 HA MET A 103 59.405 -2.418 -9.794 1.00 0.81 H new ATOM 0 HB2 MET A 103 59.947 -4.754 -8.622 1.00 0.91 H new ATOM 0 HB3 MET A 103 58.935 -4.161 -7.320 1.00 0.91 H new ATOM 0 HG2 MET A 103 57.021 -3.890 -8.826 1.00 1.35 H new ATOM 0 HG3 MET A 103 58.015 -4.203 -10.236 1.00 1.35 H new ATOM 0 HE1 MET A 103 57.105 -7.168 -6.845 1.00 1.63 H new ATOM 0 HE2 MET A 103 58.691 -6.363 -6.883 1.00 1.63 H new ATOM 0 HE3 MET A 103 57.203 -5.393 -6.785 1.00 1.63 H new ATOM 292 N PHE A 104 59.225 -0.864 -7.098 1.00 0.71 N ATOM 293 CA PHE A 104 58.409 0.123 -6.333 1.00 0.75 C ATOM 294 C PHE A 104 59.004 1.528 -6.468 1.00 0.68 C ATOM 295 O PHE A 104 58.586 2.454 -5.804 1.00 0.80 O ATOM 296 CB PHE A 104 58.466 -0.350 -4.880 1.00 0.76 C ATOM 297 CG PHE A 104 57.277 -1.236 -4.595 1.00 1.03 C ATOM 298 CD1 PHE A 104 55.994 -0.682 -4.512 1.00 1.67 C ATOM 299 CD2 PHE A 104 57.458 -2.612 -4.415 1.00 1.71 C ATOM 300 CE1 PHE A 104 54.891 -1.504 -4.251 1.00 1.90 C ATOM 301 CE2 PHE A 104 56.356 -3.434 -4.153 1.00 2.03 C ATOM 302 CZ PHE A 104 55.073 -2.881 -4.071 1.00 1.76 C ATOM 0 H PHE A 104 60.221 -0.870 -6.879 1.00 0.71 H new ATOM 0 HA PHE A 104 57.385 0.180 -6.701 1.00 0.75 H new ATOM 0 HB2 PHE A 104 59.392 -0.896 -4.700 1.00 0.76 H new ATOM 0 HB3 PHE A 104 58.465 0.507 -4.206 1.00 0.76 H new ATOM 0 HD1 PHE A 104 55.855 0.380 -4.649 1.00 1.67 H new ATOM 0 HD2 PHE A 104 58.448 -3.039 -4.478 1.00 1.71 H new ATOM 0 HE1 PHE A 104 53.901 -1.077 -4.189 1.00 1.90 H new ATOM 0 HE2 PHE A 104 56.496 -4.496 -4.014 1.00 2.03 H new ATOM 0 HZ PHE A 104 54.223 -3.516 -3.869 1.00 1.76 H new ATOM 312 N ASP A 105 59.973 1.695 -7.328 1.00 0.58 N ATOM 313 CA ASP A 105 60.585 3.044 -7.506 1.00 0.52 C ATOM 314 C ASP A 105 59.706 3.898 -8.423 1.00 0.52 C ATOM 315 O ASP A 105 60.033 4.136 -9.569 1.00 0.60 O ATOM 316 CB ASP A 105 61.946 2.783 -8.155 1.00 0.60 C ATOM 317 CG ASP A 105 62.813 4.043 -8.054 1.00 0.51 C ATOM 318 OD1 ASP A 105 62.387 4.982 -7.401 1.00 0.48 O ATOM 319 OD2 ASP A 105 63.888 4.044 -8.632 1.00 0.54 O ATOM 0 H ASP A 105 60.366 0.958 -7.913 1.00 0.58 H new ATOM 0 HA ASP A 105 60.684 3.583 -6.564 1.00 0.52 H new ATOM 0 HB2 ASP A 105 62.442 1.947 -7.661 1.00 0.60 H new ATOM 0 HB3 ASP A 105 61.814 2.503 -9.200 1.00 0.60 H new ATOM 324 N LYS A 106 58.590 4.359 -7.927 1.00 0.51 N ATOM 325 CA LYS A 106 57.687 5.195 -8.767 1.00 0.60 C ATOM 326 C LYS A 106 58.489 6.286 -9.478 1.00 0.59 C ATOM 327 O LYS A 106 58.202 6.646 -10.602 1.00 0.70 O ATOM 328 CB LYS A 106 56.693 5.812 -7.783 1.00 0.63 C ATOM 329 CG LYS A 106 55.805 6.820 -8.517 1.00 1.39 C ATOM 330 CD LYS A 106 54.477 6.156 -8.886 1.00 1.58 C ATOM 331 CE LYS A 106 54.650 5.345 -10.173 1.00 2.00 C ATOM 332 NZ LYS A 106 53.303 4.773 -10.449 1.00 2.79 N ATOM 0 H LYS A 106 58.265 4.192 -6.975 1.00 0.51 H new ATOM 0 HA LYS A 106 57.186 4.615 -9.542 1.00 0.60 H new ATOM 0 HB2 LYS A 106 56.080 5.032 -7.332 1.00 0.63 H new ATOM 0 HB3 LYS A 106 57.228 6.306 -6.972 1.00 0.63 H new ATOM 0 HG2 LYS A 106 55.626 7.690 -7.886 1.00 1.39 H new ATOM 0 HG3 LYS A 106 56.308 7.177 -9.416 1.00 1.39 H new ATOM 0 HD2 LYS A 106 54.146 5.506 -8.076 1.00 1.58 H new ATOM 0 HD3 LYS A 106 53.705 6.914 -9.022 1.00 1.58 H new ATOM 0 HE2 LYS A 106 54.987 5.976 -10.995 1.00 2.00 H new ATOM 0 HE3 LYS A 106 55.395 4.559 -10.048 1.00 2.00 H new ATOM 0 HZ1 LYS A 106 53.339 4.202 -11.318 1.00 2.79 H new ATOM 0 HZ2 LYS A 106 53.011 4.172 -9.652 1.00 2.79 H new ATOM 0 HZ3 LYS A 106 52.616 5.545 -10.570 1.00 2.79 H new ATOM 346 N ASN A 107 59.493 6.815 -8.833 1.00 0.53 N ATOM 347 CA ASN A 107 60.309 7.882 -9.484 1.00 0.59 C ATOM 348 C ASN A 107 61.223 7.269 -10.548 1.00 0.60 C ATOM 349 O ASN A 107 61.471 7.858 -11.582 1.00 0.71 O ATOM 350 CB ASN A 107 61.135 8.495 -8.355 1.00 0.62 C ATOM 351 CG ASN A 107 62.138 9.492 -8.938 1.00 1.10 C ATOM 352 OD1 ASN A 107 63.277 9.539 -8.521 1.00 1.50 O ATOM 353 ND2 ASN A 107 61.758 10.298 -9.890 1.00 1.67 N ATOM 0 H ASN A 107 59.783 6.557 -7.890 1.00 0.53 H new ATOM 0 HA ASN A 107 59.692 8.627 -9.985 1.00 0.59 H new ATOM 0 HB2 ASN A 107 60.480 8.997 -7.642 1.00 0.62 H new ATOM 0 HB3 ASN A 107 61.661 7.712 -7.808 1.00 0.62 H new ATOM 0 HD21 ASN A 107 62.418 10.968 -10.285 1.00 1.67 H new ATOM 0 HD22 ASN A 107 60.801 10.258 -10.240 1.00 1.67 H new ATOM 360 N ALA A 108 61.723 6.088 -10.304 1.00 0.56 N ATOM 361 CA ALA A 108 62.618 5.434 -11.301 1.00 0.62 C ATOM 362 C ALA A 108 63.918 6.228 -11.449 1.00 0.64 C ATOM 363 O ALA A 108 64.208 6.774 -12.495 1.00 0.78 O ATOM 364 CB ALA A 108 61.827 5.447 -12.610 1.00 0.72 C ATOM 0 H ALA A 108 61.550 5.547 -9.457 1.00 0.56 H new ATOM 0 HA ALA A 108 62.898 4.423 -11.004 1.00 0.62 H new ATOM 0 HB1 ALA A 108 62.419 4.981 -13.398 1.00 0.72 H new ATOM 0 HB2 ALA A 108 60.898 4.893 -12.479 1.00 0.72 H new ATOM 0 HB3 ALA A 108 61.600 6.476 -12.888 1.00 0.72 H new ATOM 370 N ASP A 109 64.705 6.294 -10.409 1.00 0.57 N ATOM 371 CA ASP A 109 65.986 7.052 -10.490 1.00 0.63 C ATOM 372 C ASP A 109 67.080 6.321 -9.708 1.00 0.63 C ATOM 373 O ASP A 109 68.153 6.846 -9.484 1.00 0.76 O ATOM 374 CB ASP A 109 65.686 8.406 -9.848 1.00 0.62 C ATOM 375 CG ASP A 109 65.477 8.222 -8.344 1.00 0.70 C ATOM 376 OD1 ASP A 109 64.805 7.274 -7.971 1.00 0.75 O ATOM 377 OD2 ASP A 109 65.990 9.033 -7.590 1.00 1.20 O ATOM 0 H ASP A 109 64.516 5.856 -9.507 1.00 0.57 H new ATOM 0 HA ASP A 109 66.341 7.156 -11.515 1.00 0.63 H new ATOM 0 HB2 ASP A 109 66.509 9.097 -10.030 1.00 0.62 H new ATOM 0 HB3 ASP A 109 64.796 8.845 -10.299 1.00 0.62 H new ATOM 382 N GLY A 110 66.816 5.114 -9.287 1.00 0.58 N ATOM 383 CA GLY A 110 67.841 4.356 -8.517 1.00 0.62 C ATOM 384 C GLY A 110 67.570 4.525 -7.022 1.00 0.54 C ATOM 385 O GLY A 110 67.971 3.714 -6.210 1.00 0.57 O ATOM 0 H GLY A 110 65.937 4.621 -9.443 1.00 0.58 H new ATOM 0 HA2 GLY A 110 67.810 3.301 -8.788 1.00 0.62 H new ATOM 0 HA3 GLY A 110 68.839 4.719 -8.762 1.00 0.62 H new ATOM 389 N TYR A 111 66.889 5.574 -6.654 1.00 0.50 N ATOM 390 CA TYR A 111 66.583 5.805 -5.214 1.00 0.48 C ATOM 391 C TYR A 111 65.079 6.016 -5.029 1.00 0.42 C ATOM 392 O TYR A 111 64.342 6.141 -5.984 1.00 0.52 O ATOM 393 CB TYR A 111 67.351 7.074 -4.845 1.00 0.52 C ATOM 394 CG TYR A 111 68.775 6.965 -5.337 1.00 0.60 C ATOM 395 CD1 TYR A 111 69.740 6.333 -4.545 1.00 1.38 C ATOM 396 CD2 TYR A 111 69.129 7.494 -6.584 1.00 1.36 C ATOM 397 CE1 TYR A 111 71.061 6.231 -4.999 1.00 1.46 C ATOM 398 CE2 TYR A 111 70.449 7.392 -7.038 1.00 1.40 C ATOM 399 CZ TYR A 111 71.416 6.760 -6.246 1.00 0.83 C ATOM 400 OH TYR A 111 72.717 6.661 -6.694 1.00 0.97 O ATOM 0 H TYR A 111 66.529 6.285 -7.291 1.00 0.50 H new ATOM 0 HA TYR A 111 66.869 4.961 -4.587 1.00 0.48 H new ATOM 0 HB2 TYR A 111 66.868 7.945 -5.288 1.00 0.52 H new ATOM 0 HB3 TYR A 111 67.339 7.218 -3.765 1.00 0.52 H new ATOM 0 HD1 TYR A 111 69.466 5.924 -3.584 1.00 1.38 H new ATOM 0 HD2 TYR A 111 68.384 7.981 -7.196 1.00 1.36 H new ATOM 0 HE1 TYR A 111 71.806 5.744 -4.387 1.00 1.46 H new ATOM 0 HE2 TYR A 111 70.722 7.801 -8.000 1.00 1.40 H new ATOM 0 HH TYR A 111 72.791 7.078 -7.578 1.00 0.97 H new ATOM 410 N ILE A 112 64.618 6.059 -3.810 1.00 0.36 N ATOM 411 CA ILE A 112 63.160 6.267 -3.577 1.00 0.32 C ATOM 412 C ILE A 112 62.934 7.285 -2.461 1.00 0.35 C ATOM 413 O ILE A 112 63.492 7.185 -1.387 1.00 0.43 O ATOM 414 CB ILE A 112 62.617 4.907 -3.178 1.00 0.32 C ATOM 415 CG1 ILE A 112 63.057 3.897 -4.244 1.00 0.40 C ATOM 416 CG2 ILE A 112 61.084 4.995 -3.102 1.00 0.35 C ATOM 417 CD1 ILE A 112 61.977 2.842 -4.469 1.00 0.46 C ATOM 0 H ILE A 112 65.184 5.960 -2.968 1.00 0.36 H new ATOM 0 HA ILE A 112 62.660 6.658 -4.463 1.00 0.32 H new ATOM 0 HB ILE A 112 62.994 4.592 -2.205 1.00 0.32 H new ATOM 0 HG12 ILE A 112 63.265 4.416 -5.180 1.00 0.40 H new ATOM 0 HG13 ILE A 112 63.984 3.415 -3.934 1.00 0.40 H new ATOM 0 HG21 ILE A 112 60.678 4.025 -2.816 1.00 0.35 H new ATOM 0 HG22 ILE A 112 60.799 5.741 -2.360 1.00 0.35 H new ATOM 0 HG23 ILE A 112 60.687 5.282 -4.076 1.00 0.35 H new ATOM 0 HD11 ILE A 112 62.311 2.136 -5.229 1.00 0.46 H new ATOM 0 HD12 ILE A 112 61.789 2.309 -3.537 1.00 0.46 H new ATOM 0 HD13 ILE A 112 61.059 3.326 -4.802 1.00 0.46 H new ATOM 429 N ASP A 113 62.114 8.262 -2.713 1.00 0.36 N ATOM 430 CA ASP A 113 61.838 9.295 -1.672 1.00 0.44 C ATOM 431 C ASP A 113 60.531 8.969 -0.945 1.00 0.44 C ATOM 432 O ASP A 113 59.882 7.985 -1.232 1.00 0.60 O ATOM 433 CB ASP A 113 61.718 10.614 -2.436 1.00 0.56 C ATOM 434 CG ASP A 113 60.735 10.450 -3.595 1.00 0.94 C ATOM 435 OD1 ASP A 113 59.911 9.555 -3.524 1.00 1.58 O ATOM 436 OD2 ASP A 113 60.822 11.223 -4.535 1.00 1.53 O ATOM 0 H ASP A 113 61.620 8.393 -3.596 1.00 0.36 H new ATOM 0 HA ASP A 113 62.621 9.340 -0.915 1.00 0.44 H new ATOM 0 HB2 ASP A 113 61.377 11.404 -1.766 1.00 0.56 H new ATOM 0 HB3 ASP A 113 62.694 10.916 -2.815 1.00 0.56 H new ATOM 441 N LEU A 114 60.142 9.783 0.000 1.00 0.47 N ATOM 442 CA LEU A 114 58.877 9.507 0.744 1.00 0.47 C ATOM 443 C LEU A 114 57.685 9.466 -0.215 1.00 0.50 C ATOM 444 O LEU A 114 56.871 8.566 -0.171 1.00 0.52 O ATOM 445 CB LEU A 114 58.729 10.670 1.726 1.00 0.57 C ATOM 446 CG LEU A 114 58.546 10.118 3.139 1.00 0.68 C ATOM 447 CD1 LEU A 114 57.249 9.308 3.209 1.00 1.36 C ATOM 448 CD2 LEU A 114 59.731 9.214 3.481 1.00 1.57 C ATOM 0 H LEU A 114 60.642 10.624 0.289 1.00 0.47 H new ATOM 0 HA LEU A 114 58.907 8.543 1.251 1.00 0.47 H new ATOM 0 HB2 LEU A 114 59.610 11.310 1.685 1.00 0.57 H new ATOM 0 HB3 LEU A 114 57.874 11.287 1.451 1.00 0.57 H new ATOM 0 HG LEU A 114 58.495 10.942 3.851 1.00 0.68 H new ATOM 0 HD11 LEU A 114 57.120 8.915 4.217 1.00 1.36 H new ATOM 0 HD12 LEU A 114 56.405 9.951 2.959 1.00 1.36 H new ATOM 0 HD13 LEU A 114 57.298 8.481 2.501 1.00 1.36 H new ATOM 0 HD21 LEU A 114 59.607 8.817 4.488 1.00 1.57 H new ATOM 0 HD22 LEU A 114 59.777 8.390 2.769 1.00 1.57 H new ATOM 0 HD23 LEU A 114 60.655 9.790 3.430 1.00 1.57 H new ATOM 460 N GLU A 115 57.573 10.437 -1.078 1.00 0.56 N ATOM 461 CA GLU A 115 56.430 10.456 -2.035 1.00 0.64 C ATOM 462 C GLU A 115 56.369 9.139 -2.809 1.00 0.56 C ATOM 463 O GLU A 115 55.336 8.757 -3.324 1.00 0.61 O ATOM 464 CB GLU A 115 56.728 11.621 -2.980 1.00 0.77 C ATOM 465 CG GLU A 115 55.620 11.728 -4.029 1.00 1.54 C ATOM 466 CD GLU A 115 54.689 12.887 -3.670 1.00 2.04 C ATOM 467 OE1 GLU A 115 55.194 13.928 -3.283 1.00 2.45 O ATOM 468 OE2 GLU A 115 53.487 12.712 -3.787 1.00 2.67 O ATOM 0 H GLU A 115 58.223 11.218 -1.163 1.00 0.56 H new ATOM 0 HA GLU A 115 55.470 10.573 -1.533 1.00 0.64 H new ATOM 0 HB2 GLU A 115 56.799 12.551 -2.416 1.00 0.77 H new ATOM 0 HB3 GLU A 115 57.691 11.469 -3.468 1.00 0.77 H new ATOM 0 HG2 GLU A 115 56.053 11.888 -5.016 1.00 1.54 H new ATOM 0 HG3 GLU A 115 55.057 10.796 -4.075 1.00 1.54 H new ATOM 475 N GLU A 116 57.465 8.440 -2.893 1.00 0.49 N ATOM 476 CA GLU A 116 57.466 7.146 -3.633 1.00 0.45 C ATOM 477 C GLU A 116 57.049 6.004 -2.704 1.00 0.43 C ATOM 478 O GLU A 116 56.175 5.221 -3.017 1.00 0.51 O ATOM 479 CB GLU A 116 58.908 6.954 -4.098 1.00 0.42 C ATOM 480 CG GLU A 116 59.158 7.791 -5.353 1.00 0.94 C ATOM 481 CD GLU A 116 60.649 7.767 -5.689 1.00 0.85 C ATOM 482 OE1 GLU A 116 61.161 6.690 -5.948 1.00 1.28 O ATOM 483 OE2 GLU A 116 61.254 8.826 -5.684 1.00 1.43 O ATOM 0 H GLU A 116 58.360 8.707 -2.482 1.00 0.49 H new ATOM 0 HA GLU A 116 56.765 7.150 -4.468 1.00 0.45 H new ATOM 0 HB2 GLU A 116 59.598 7.250 -3.308 1.00 0.42 H new ATOM 0 HB3 GLU A 116 59.096 5.901 -4.307 1.00 0.42 H new ATOM 0 HG2 GLU A 116 58.579 7.397 -6.188 1.00 0.94 H new ATOM 0 HG3 GLU A 116 58.827 8.817 -5.192 1.00 0.94 H new ATOM 490 N LEU A 117 57.673 5.905 -1.563 1.00 0.37 N ATOM 491 CA LEU A 117 57.321 4.816 -0.611 1.00 0.42 C ATOM 492 C LEU A 117 55.829 4.866 -0.287 1.00 0.50 C ATOM 493 O LEU A 117 55.213 3.862 0.011 1.00 0.58 O ATOM 494 CB LEU A 117 58.154 5.102 0.639 1.00 0.43 C ATOM 495 CG LEU A 117 58.444 3.792 1.369 1.00 0.61 C ATOM 496 CD1 LEU A 117 59.827 3.278 0.967 1.00 0.90 C ATOM 497 CD2 LEU A 117 58.411 4.033 2.880 1.00 1.53 C ATOM 0 H LEU A 117 58.413 6.533 -1.249 1.00 0.37 H new ATOM 0 HA LEU A 117 57.525 3.825 -1.017 1.00 0.42 H new ATOM 0 HB2 LEU A 117 59.088 5.591 0.362 1.00 0.43 H new ATOM 0 HB3 LEU A 117 57.619 5.786 1.297 1.00 0.43 H new ATOM 0 HG LEU A 117 57.689 3.053 1.101 1.00 0.61 H new ATOM 0 HD11 LEU A 117 60.033 2.343 1.488 1.00 0.90 H new ATOM 0 HD12 LEU A 117 59.853 3.107 -0.109 1.00 0.90 H new ATOM 0 HD13 LEU A 117 60.582 4.017 1.235 1.00 0.90 H new ATOM 0 HD21 LEU A 117 58.618 3.099 3.402 1.00 1.53 H new ATOM 0 HD22 LEU A 117 59.166 4.773 3.147 1.00 1.53 H new ATOM 0 HD23 LEU A 117 57.426 4.399 3.169 1.00 1.53 H new ATOM 509 N LYS A 118 55.242 6.029 -0.344 1.00 0.52 N ATOM 510 CA LYS A 118 53.789 6.146 -0.040 1.00 0.63 C ATOM 511 C LYS A 118 52.972 5.343 -1.055 1.00 0.71 C ATOM 512 O LYS A 118 52.002 4.696 -0.713 1.00 0.83 O ATOM 513 CB LYS A 118 53.478 7.639 -0.162 1.00 0.68 C ATOM 514 CG LYS A 118 53.085 8.194 1.208 1.00 1.05 C ATOM 515 CD LYS A 118 54.210 9.083 1.743 1.00 1.33 C ATOM 516 CE LYS A 118 54.484 10.214 0.749 1.00 1.49 C ATOM 517 NZ LYS A 118 53.809 11.408 1.329 1.00 1.82 N ATOM 0 H LYS A 118 55.706 6.904 -0.588 1.00 0.52 H new ATOM 0 HA LYS A 118 53.540 5.757 0.948 1.00 0.63 H new ATOM 0 HB2 LYS A 118 54.348 8.172 -0.546 1.00 0.68 H new ATOM 0 HB3 LYS A 118 52.668 7.795 -0.875 1.00 0.68 H new ATOM 0 HG2 LYS A 118 52.161 8.767 1.128 1.00 1.05 H new ATOM 0 HG3 LYS A 118 52.893 7.376 1.902 1.00 1.05 H new ATOM 0 HD2 LYS A 118 53.931 9.496 2.712 1.00 1.33 H new ATOM 0 HD3 LYS A 118 55.113 8.492 1.896 1.00 1.33 H new ATOM 0 HE2 LYS A 118 55.554 10.384 0.630 1.00 1.49 H new ATOM 0 HE3 LYS A 118 54.087 9.977 -0.238 1.00 1.49 H new ATOM 0 HZ1 LYS A 118 53.952 12.226 0.703 1.00 1.82 H new ATOM 0 HZ2 LYS A 118 52.791 11.219 1.424 1.00 1.82 H new ATOM 0 HZ3 LYS A 118 54.212 11.614 2.265 1.00 1.82 H new ATOM 531 N ILE A 119 53.359 5.375 -2.301 1.00 0.72 N ATOM 532 CA ILE A 119 52.606 4.610 -3.336 1.00 0.84 C ATOM 533 C ILE A 119 52.829 3.107 -3.142 1.00 0.86 C ATOM 534 O ILE A 119 51.931 2.309 -3.320 1.00 0.96 O ATOM 535 CB ILE A 119 53.181 5.082 -4.673 1.00 0.93 C ATOM 536 CG1 ILE A 119 52.533 6.414 -5.055 1.00 1.00 C ATOM 537 CG2 ILE A 119 52.889 4.046 -5.763 1.00 1.06 C ATOM 538 CD1 ILE A 119 53.459 7.176 -6.000 1.00 1.08 C ATOM 0 H ILE A 119 54.164 5.897 -2.647 1.00 0.72 H new ATOM 0 HA ILE A 119 51.530 4.777 -3.280 1.00 0.84 H new ATOM 0 HB ILE A 119 54.260 5.206 -4.578 1.00 0.93 H new ATOM 0 HG12 ILE A 119 51.570 6.238 -5.535 1.00 1.00 H new ATOM 0 HG13 ILE A 119 52.340 7.007 -4.161 1.00 1.00 H new ATOM 0 HG21 ILE A 119 53.302 4.390 -6.712 1.00 1.06 H new ATOM 0 HG22 ILE A 119 53.346 3.094 -5.492 1.00 1.06 H new ATOM 0 HG23 ILE A 119 51.811 3.916 -5.862 1.00 1.06 H new ATOM 0 HD11 ILE A 119 52.999 8.126 -6.273 1.00 1.08 H new ATOM 0 HD12 ILE A 119 54.411 7.364 -5.504 1.00 1.08 H new ATOM 0 HD13 ILE A 119 53.629 6.583 -6.899 1.00 1.08 H new ATOM 550 N MET A 120 54.020 2.716 -2.776 1.00 0.82 N ATOM 551 CA MET A 120 54.297 1.264 -2.569 1.00 0.92 C ATOM 552 C MET A 120 53.273 0.665 -1.600 1.00 0.92 C ATOM 553 O MET A 120 52.808 -0.442 -1.779 1.00 1.01 O ATOM 554 CB MET A 120 55.701 1.210 -1.966 1.00 0.96 C ATOM 555 CG MET A 120 55.951 -0.181 -1.380 1.00 1.50 C ATOM 556 SD MET A 120 57.510 -0.177 -0.461 1.00 2.13 S ATOM 557 CE MET A 120 58.601 0.173 -1.861 1.00 2.73 C ATOM 0 H MET A 120 54.812 3.337 -2.612 1.00 0.82 H new ATOM 0 HA MET A 120 54.230 0.694 -3.496 1.00 0.92 H new ATOM 0 HB2 MET A 120 56.445 1.434 -2.730 1.00 0.96 H new ATOM 0 HB3 MET A 120 55.804 1.968 -1.189 1.00 0.96 H new ATOM 0 HG2 MET A 120 55.129 -0.463 -0.722 1.00 1.50 H new ATOM 0 HG3 MET A 120 55.989 -0.922 -2.178 1.00 1.50 H new ATOM 0 HE1 MET A 120 59.506 0.664 -1.503 1.00 2.73 H new ATOM 0 HE2 MET A 120 58.867 -0.760 -2.357 1.00 2.73 H new ATOM 0 HE3 MET A 120 58.088 0.826 -2.567 1.00 2.73 H new ATOM 567 N LEU A 121 52.917 1.394 -0.579 1.00 0.88 N ATOM 568 CA LEU A 121 51.919 0.871 0.399 1.00 0.96 C ATOM 569 C LEU A 121 50.527 0.876 -0.229 1.00 0.99 C ATOM 570 O LEU A 121 49.713 0.015 0.035 1.00 1.12 O ATOM 571 CB LEU A 121 51.957 1.842 1.573 1.00 0.98 C ATOM 572 CG LEU A 121 53.409 2.162 1.946 1.00 1.19 C ATOM 573 CD1 LEU A 121 53.447 2.844 3.315 1.00 1.51 C ATOM 574 CD2 LEU A 121 54.220 0.865 2.002 1.00 1.81 C ATOM 0 H LEU A 121 53.273 2.329 -0.379 1.00 0.88 H new ATOM 0 HA LEU A 121 52.143 -0.151 0.705 1.00 0.96 H new ATOM 0 HB2 LEU A 121 51.430 2.760 1.313 1.00 0.98 H new ATOM 0 HB3 LEU A 121 51.440 1.409 2.430 1.00 0.98 H new ATOM 0 HG LEU A 121 53.837 2.827 1.196 1.00 1.19 H new ATOM 0 HD11 LEU A 121 54.480 3.071 3.580 1.00 1.51 H new ATOM 0 HD12 LEU A 121 52.870 3.768 3.277 1.00 1.51 H new ATOM 0 HD13 LEU A 121 53.018 2.179 4.065 1.00 1.51 H new ATOM 0 HD21 LEU A 121 55.252 1.093 2.267 1.00 1.81 H new ATOM 0 HD22 LEU A 121 53.791 0.200 2.751 1.00 1.81 H new ATOM 0 HD23 LEU A 121 54.195 0.378 1.027 1.00 1.81 H new ATOM 586 N GLN A 122 50.247 1.844 -1.058 1.00 0.95 N ATOM 587 CA GLN A 122 48.908 1.898 -1.705 1.00 1.05 C ATOM 588 C GLN A 122 48.756 0.703 -2.641 1.00 1.12 C ATOM 589 O GLN A 122 47.671 0.204 -2.861 1.00 1.24 O ATOM 590 CB GLN A 122 48.892 3.210 -2.488 1.00 1.07 C ATOM 591 CG GLN A 122 48.182 4.281 -1.660 1.00 1.49 C ATOM 592 CD GLN A 122 48.212 5.612 -2.414 1.00 1.51 C ATOM 593 OE1 GLN A 122 47.338 5.894 -3.209 1.00 2.24 O ATOM 594 NE2 GLN A 122 49.188 6.450 -2.194 1.00 1.52 N ATOM 0 H GLN A 122 50.886 2.597 -1.314 1.00 0.95 H new ATOM 0 HA GLN A 122 48.088 1.857 -0.988 1.00 1.05 H new ATOM 0 HB2 GLN A 122 49.911 3.525 -2.715 1.00 1.07 H new ATOM 0 HB3 GLN A 122 48.381 3.072 -3.441 1.00 1.07 H new ATOM 0 HG2 GLN A 122 47.151 3.983 -1.467 1.00 1.49 H new ATOM 0 HG3 GLN A 122 48.669 4.389 -0.691 1.00 1.49 H new ATOM 0 HE21 GLN A 122 49.922 6.214 -1.527 1.00 1.52 H new ATOM 0 HE22 GLN A 122 49.217 7.341 -2.689 1.00 1.52 H new ATOM 603 N ALA A 123 49.845 0.228 -3.178 1.00 1.11 N ATOM 604 CA ALA A 123 49.770 -0.948 -4.084 1.00 1.26 C ATOM 605 C ALA A 123 49.353 -2.173 -3.273 1.00 1.39 C ATOM 606 O ALA A 123 48.890 -3.160 -3.811 1.00 1.55 O ATOM 607 CB ALA A 123 51.185 -1.120 -4.636 1.00 1.31 C ATOM 0 H ALA A 123 50.781 0.604 -3.028 1.00 1.11 H new ATOM 0 HA ALA A 123 49.045 -0.821 -4.888 1.00 1.26 H new ATOM 0 HB1 ALA A 123 51.209 -1.972 -5.315 1.00 1.31 H new ATOM 0 HB2 ALA A 123 51.478 -0.218 -5.174 1.00 1.31 H new ATOM 0 HB3 ALA A 123 51.878 -1.293 -3.813 1.00 1.31 H new ATOM 613 N THR A 124 49.509 -2.114 -1.977 1.00 1.38 N ATOM 614 CA THR A 124 49.115 -3.274 -1.128 1.00 1.59 C ATOM 615 C THR A 124 47.767 -3.002 -0.456 1.00 1.77 C ATOM 616 O THR A 124 47.166 -3.882 0.127 1.00 2.03 O ATOM 617 CB THR A 124 50.225 -3.400 -0.083 1.00 1.65 C ATOM 618 OG1 THR A 124 50.622 -2.106 0.346 1.00 2.26 O ATOM 619 CG2 THR A 124 51.422 -4.126 -0.696 1.00 1.97 C ATOM 0 H THR A 124 49.891 -1.315 -1.472 1.00 1.38 H new ATOM 0 HA THR A 124 49.000 -4.190 -1.707 1.00 1.59 H new ATOM 0 HB THR A 124 49.856 -3.967 0.772 1.00 1.65 H new ATOM 0 HG1 THR A 124 49.832 -1.532 0.427 1.00 2.26 H new ATOM 0 HG21 THR A 124 52.213 -4.216 0.048 1.00 1.97 H new ATOM 0 HG22 THR A 124 51.116 -5.120 -1.023 1.00 1.97 H new ATOM 0 HG23 THR A 124 51.791 -3.561 -1.552 1.00 1.97 H new ATOM 627 N GLY A 125 47.285 -1.790 -0.537 1.00 1.74 N ATOM 628 CA GLY A 125 45.973 -1.469 0.095 1.00 2.07 C ATOM 629 C GLY A 125 46.101 -0.190 0.924 1.00 1.64 C ATOM 630 O GLY A 125 47.043 -0.013 1.670 1.00 2.16 O ATOM 0 H GLY A 125 47.742 -1.011 -1.012 1.00 1.74 H new ATOM 0 HA2 GLY A 125 45.210 -1.342 -0.673 1.00 2.07 H new ATOM 0 HA3 GLY A 125 45.652 -2.295 0.730 1.00 2.07 H new ATOM 634 N GLU A 126 45.158 0.703 0.799 1.00 1.68 N ATOM 635 CA GLU A 126 45.224 1.971 1.582 1.00 1.94 C ATOM 636 C GLU A 126 44.972 1.687 3.064 1.00 1.76 C ATOM 637 O GLU A 126 43.848 1.697 3.526 1.00 2.42 O ATOM 638 CB GLU A 126 44.113 2.846 1.007 1.00 2.83 C ATOM 639 CG GLU A 126 44.718 4.125 0.426 1.00 3.43 C ATOM 640 CD GLU A 126 43.621 4.943 -0.257 1.00 4.44 C ATOM 641 OE1 GLU A 126 42.470 4.781 0.115 1.00 5.02 O ATOM 642 OE2 GLU A 126 43.950 5.716 -1.142 1.00 4.97 O ATOM 0 H GLU A 126 44.345 0.610 0.190 1.00 1.68 H new ATOM 0 HA GLU A 126 46.199 2.453 1.512 1.00 1.94 H new ATOM 0 HB2 GLU A 126 43.572 2.303 0.232 1.00 2.83 H new ATOM 0 HB3 GLU A 126 43.391 3.094 1.785 1.00 2.83 H new ATOM 0 HG2 GLU A 126 45.184 4.712 1.217 1.00 3.43 H new ATOM 0 HG3 GLU A 126 45.501 3.877 -0.291 1.00 3.43 H new ATOM 649 N THR A 127 46.008 1.434 3.812 1.00 1.67 N ATOM 650 CA THR A 127 45.827 1.148 5.265 1.00 1.97 C ATOM 651 C THR A 127 46.018 2.426 6.086 1.00 1.60 C ATOM 652 O THR A 127 45.445 2.586 7.145 1.00 1.70 O ATOM 653 CB THR A 127 46.911 0.123 5.604 1.00 2.78 C ATOM 654 OG1 THR A 127 47.019 -0.815 4.539 1.00 3.37 O ATOM 655 CG2 THR A 127 46.544 -0.601 6.901 1.00 3.72 C ATOM 0 H THR A 127 46.973 1.412 3.482 1.00 1.67 H new ATOM 0 HA THR A 127 44.828 0.775 5.491 1.00 1.97 H new ATOM 0 HB THR A 127 47.867 0.629 5.738 1.00 2.78 H new ATOM 0 HG1 THR A 127 47.714 -1.473 4.751 1.00 3.37 H new ATOM 0 HG21 THR A 127 47.317 -1.331 7.141 1.00 3.72 H new ATOM 0 HG22 THR A 127 46.464 0.123 7.712 1.00 3.72 H new ATOM 0 HG23 THR A 127 45.589 -1.112 6.775 1.00 3.72 H new ATOM 663 N ILE A 128 46.820 3.337 5.606 1.00 1.39 N ATOM 664 CA ILE A 128 47.044 4.604 6.362 1.00 1.35 C ATOM 665 C ILE A 128 47.416 5.736 5.402 1.00 1.27 C ATOM 666 O ILE A 128 47.300 5.608 4.199 1.00 1.39 O ATOM 667 CB ILE A 128 48.205 4.300 7.311 1.00 1.59 C ATOM 668 CG1 ILE A 128 49.306 3.558 6.549 1.00 2.00 C ATOM 669 CG2 ILE A 128 47.707 3.427 8.463 1.00 2.58 C ATOM 670 CD1 ILE A 128 49.935 4.494 5.515 1.00 2.44 C ATOM 0 H ILE A 128 47.329 3.260 4.725 1.00 1.39 H new ATOM 0 HA ILE A 128 46.152 4.926 6.900 1.00 1.35 H new ATOM 0 HB ILE A 128 48.603 5.234 7.708 1.00 1.59 H new ATOM 0 HG12 ILE A 128 50.067 3.203 7.244 1.00 2.00 H new ATOM 0 HG13 ILE A 128 48.891 2.680 6.055 1.00 2.00 H new ATOM 0 HG21 ILE A 128 48.534 3.210 9.139 1.00 2.58 H new ATOM 0 HG22 ILE A 128 46.923 3.954 9.006 1.00 2.58 H new ATOM 0 HG23 ILE A 128 47.309 2.493 8.066 1.00 2.58 H new ATOM 0 HD11 ILE A 128 50.719 3.964 4.974 1.00 2.44 H new ATOM 0 HD12 ILE A 128 49.170 4.827 4.813 1.00 2.44 H new ATOM 0 HD13 ILE A 128 50.365 5.359 6.021 1.00 2.44 H new ATOM 682 N THR A 129 47.863 6.847 5.924 1.00 1.18 N ATOM 683 CA THR A 129 48.242 7.988 5.041 1.00 1.21 C ATOM 684 C THR A 129 49.695 8.396 5.298 1.00 1.10 C ATOM 685 O THR A 129 50.399 7.772 6.068 1.00 1.04 O ATOM 686 CB THR A 129 47.291 9.121 5.428 1.00 1.37 C ATOM 687 OG1 THR A 129 46.034 8.573 5.802 1.00 1.63 O ATOM 688 CG2 THR A 129 47.107 10.063 4.239 1.00 1.63 C ATOM 0 H THR A 129 47.982 7.014 6.923 1.00 1.18 H new ATOM 0 HA THR A 129 48.166 7.735 3.984 1.00 1.21 H new ATOM 0 HB THR A 129 47.709 9.678 6.267 1.00 1.37 H new ATOM 0 HG1 THR A 129 45.423 9.297 6.052 1.00 1.63 H new ATOM 0 HG21 THR A 129 46.429 10.870 4.516 1.00 1.63 H new ATOM 0 HG22 THR A 129 48.072 10.482 3.954 1.00 1.63 H new ATOM 0 HG23 THR A 129 46.688 9.510 3.398 1.00 1.63 H new ATOM 696 N GLU A 130 50.148 9.439 4.660 1.00 1.13 N ATOM 697 CA GLU A 130 51.554 9.889 4.867 1.00 1.09 C ATOM 698 C GLU A 130 51.808 10.174 6.350 1.00 1.03 C ATOM 699 O GLU A 130 52.935 10.200 6.803 1.00 0.98 O ATOM 700 CB GLU A 130 51.681 11.172 4.046 1.00 1.23 C ATOM 701 CG GLU A 130 50.841 12.276 4.691 1.00 1.68 C ATOM 702 CD GLU A 130 50.293 13.202 3.604 1.00 2.20 C ATOM 703 OE1 GLU A 130 51.084 13.694 2.817 1.00 2.66 O ATOM 704 OE2 GLU A 130 49.089 13.403 3.576 1.00 2.77 O ATOM 0 H GLU A 130 49.605 10.000 4.003 1.00 1.13 H new ATOM 0 HA GLU A 130 52.278 9.134 4.562 1.00 1.09 H new ATOM 0 HB2 GLU A 130 52.725 11.480 3.992 1.00 1.23 H new ATOM 0 HB3 GLU A 130 51.347 10.997 3.023 1.00 1.23 H new ATOM 0 HG2 GLU A 130 50.020 11.838 5.258 1.00 1.68 H new ATOM 0 HG3 GLU A 130 51.448 12.844 5.396 1.00 1.68 H new ATOM 711 N ASP A 131 50.769 10.390 7.110 1.00 1.08 N ATOM 712 CA ASP A 131 50.952 10.675 8.562 1.00 1.10 C ATOM 713 C ASP A 131 51.726 9.539 9.235 1.00 0.95 C ATOM 714 O ASP A 131 52.595 9.766 10.054 1.00 0.88 O ATOM 715 CB ASP A 131 49.535 10.770 9.129 1.00 1.27 C ATOM 716 CG ASP A 131 49.595 11.276 10.572 1.00 1.65 C ATOM 717 OD1 ASP A 131 50.364 12.187 10.828 1.00 2.09 O ATOM 718 OD2 ASP A 131 48.869 10.744 11.396 1.00 2.28 O ATOM 0 H ASP A 131 49.801 10.381 6.788 1.00 1.08 H new ATOM 0 HA ASP A 131 51.522 11.588 8.733 1.00 1.10 H new ATOM 0 HB2 ASP A 131 48.933 11.445 8.521 1.00 1.27 H new ATOM 0 HB3 ASP A 131 49.052 9.793 9.095 1.00 1.27 H new ATOM 723 N ASP A 132 51.417 8.316 8.900 1.00 0.96 N ATOM 724 CA ASP A 132 52.135 7.167 9.524 1.00 0.88 C ATOM 725 C ASP A 132 53.350 6.775 8.678 1.00 0.76 C ATOM 726 O ASP A 132 54.297 6.191 9.167 1.00 0.72 O ATOM 727 CB ASP A 132 51.113 6.030 9.556 1.00 0.99 C ATOM 728 CG ASP A 132 50.435 5.992 10.928 1.00 1.31 C ATOM 729 OD1 ASP A 132 49.571 6.820 11.164 1.00 1.95 O ATOM 730 OD2 ASP A 132 50.793 5.135 11.719 1.00 1.70 O ATOM 0 H ASP A 132 50.699 8.062 8.222 1.00 0.96 H new ATOM 0 HA ASP A 132 52.508 7.407 10.519 1.00 0.88 H new ATOM 0 HB2 ASP A 132 50.368 6.175 8.774 1.00 0.99 H new ATOM 0 HB3 ASP A 132 51.605 5.078 9.355 1.00 0.99 H new ATOM 735 N ILE A 133 53.333 7.094 7.413 1.00 0.78 N ATOM 736 CA ILE A 133 54.489 6.739 6.541 1.00 0.73 C ATOM 737 C ILE A 133 55.624 7.749 6.733 1.00 0.66 C ATOM 738 O ILE A 133 56.740 7.533 6.305 1.00 0.63 O ATOM 739 CB ILE A 133 53.946 6.807 5.115 1.00 0.84 C ATOM 740 CG1 ILE A 133 52.867 5.735 4.933 1.00 0.91 C ATOM 741 CG2 ILE A 133 55.084 6.561 4.122 1.00 1.14 C ATOM 742 CD1 ILE A 133 52.278 5.832 3.526 1.00 0.96 C ATOM 0 H ILE A 133 52.570 7.584 6.946 1.00 0.78 H new ATOM 0 HA ILE A 133 54.896 5.755 6.774 1.00 0.73 H new ATOM 0 HB ILE A 133 53.516 7.792 4.934 1.00 0.84 H new ATOM 0 HG12 ILE A 133 53.294 4.745 5.092 1.00 0.91 H new ATOM 0 HG13 ILE A 133 52.081 5.866 5.677 1.00 0.91 H new ATOM 0 HG21 ILE A 133 54.696 6.610 3.105 1.00 1.14 H new ATOM 0 HG22 ILE A 133 55.853 7.322 4.254 1.00 1.14 H new ATOM 0 HG23 ILE A 133 55.515 5.576 4.299 1.00 1.14 H new ATOM 0 HD11 ILE A 133 51.511 5.068 3.399 1.00 0.96 H new ATOM 0 HD12 ILE A 133 51.836 6.818 3.384 1.00 0.96 H new ATOM 0 HD13 ILE A 133 53.067 5.679 2.790 1.00 0.96 H new ATOM 754 N GLU A 134 55.345 8.850 7.374 1.00 0.73 N ATOM 755 CA GLU A 134 56.407 9.873 7.595 1.00 0.77 C ATOM 756 C GLU A 134 57.369 9.407 8.690 1.00 0.70 C ATOM 757 O GLU A 134 58.563 9.619 8.612 1.00 0.68 O ATOM 758 CB GLU A 134 55.659 11.131 8.038 1.00 0.96 C ATOM 759 CG GLU A 134 55.229 11.928 6.805 1.00 0.95 C ATOM 760 CD GLU A 134 55.707 13.375 6.941 1.00 1.60 C ATOM 761 OE1 GLU A 134 55.166 14.081 7.777 1.00 2.27 O ATOM 762 OE2 GLU A 134 56.605 13.754 6.207 1.00 2.07 O ATOM 0 H GLU A 134 54.428 9.086 7.754 1.00 0.73 H new ATOM 0 HA GLU A 134 57.005 10.048 6.701 1.00 0.77 H new ATOM 0 HB2 GLU A 134 54.786 10.858 8.631 1.00 0.96 H new ATOM 0 HB3 GLU A 134 56.298 11.742 8.675 1.00 0.96 H new ATOM 0 HG2 GLU A 134 55.647 11.479 5.904 1.00 0.95 H new ATOM 0 HG3 GLU A 134 54.144 11.900 6.701 1.00 0.95 H new ATOM 769 N GLU A 135 56.859 8.772 9.709 1.00 0.74 N ATOM 770 CA GLU A 135 57.747 8.291 10.805 1.00 0.76 C ATOM 771 C GLU A 135 58.264 6.887 10.483 1.00 0.66 C ATOM 772 O GLU A 135 59.112 6.353 11.170 1.00 0.74 O ATOM 773 CB GLU A 135 56.863 8.264 12.052 1.00 0.88 C ATOM 774 CG GLU A 135 56.882 9.641 12.719 1.00 1.20 C ATOM 775 CD GLU A 135 55.461 10.034 13.127 1.00 1.48 C ATOM 776 OE1 GLU A 135 54.531 9.449 12.597 1.00 2.16 O ATOM 777 OE2 GLU A 135 55.326 10.915 13.961 1.00 1.95 O ATOM 0 H GLU A 135 55.867 8.566 9.830 1.00 0.74 H new ATOM 0 HA GLU A 135 58.620 8.930 10.941 1.00 0.76 H new ATOM 0 HB2 GLU A 135 55.842 7.993 11.782 1.00 0.88 H new ATOM 0 HB3 GLU A 135 57.221 7.506 12.748 1.00 0.88 H new ATOM 0 HG2 GLU A 135 57.531 9.623 13.595 1.00 1.20 H new ATOM 0 HG3 GLU A 135 57.292 10.382 12.034 1.00 1.20 H new ATOM 784 N LEU A 136 57.759 6.285 9.440 1.00 0.62 N ATOM 785 CA LEU A 136 58.221 4.917 9.072 1.00 0.66 C ATOM 786 C LEU A 136 59.613 4.980 8.439 1.00 0.61 C ATOM 787 O LEU A 136 60.559 4.403 8.938 1.00 0.70 O ATOM 788 CB LEU A 136 57.193 4.412 8.059 1.00 0.77 C ATOM 789 CG LEU A 136 56.773 2.988 8.423 1.00 0.86 C ATOM 790 CD1 LEU A 136 58.009 2.089 8.479 1.00 1.63 C ATOM 791 CD2 LEU A 136 56.085 2.995 9.790 1.00 1.38 C ATOM 0 H LEU A 136 57.047 6.682 8.827 1.00 0.62 H new ATOM 0 HA LEU A 136 58.297 4.260 9.938 1.00 0.66 H new ATOM 0 HB2 LEU A 136 56.323 5.068 8.051 1.00 0.77 H new ATOM 0 HB3 LEU A 136 57.617 4.432 7.055 1.00 0.77 H new ATOM 0 HG LEU A 136 56.083 2.609 7.669 1.00 0.86 H new ATOM 0 HD11 LEU A 136 57.709 1.074 8.739 1.00 1.63 H new ATOM 0 HD12 LEU A 136 58.500 2.085 7.506 1.00 1.63 H new ATOM 0 HD13 LEU A 136 58.700 2.467 9.232 1.00 1.63 H new ATOM 0 HD21 LEU A 136 55.785 1.980 10.051 1.00 1.38 H new ATOM 0 HD22 LEU A 136 56.776 3.374 10.543 1.00 1.38 H new ATOM 0 HD23 LEU A 136 55.204 3.635 9.751 1.00 1.38 H new ATOM 803 N MET A 137 59.745 5.677 7.344 1.00 0.55 N ATOM 804 CA MET A 137 61.077 5.775 6.679 1.00 0.59 C ATOM 805 C MET A 137 62.074 6.490 7.595 1.00 0.65 C ATOM 806 O MET A 137 63.262 6.507 7.338 1.00 0.81 O ATOM 807 CB MET A 137 60.831 6.596 5.413 1.00 0.60 C ATOM 808 CG MET A 137 61.501 5.910 4.222 1.00 0.96 C ATOM 809 SD MET A 137 62.030 7.161 3.026 1.00 1.23 S ATOM 810 CE MET A 137 61.328 6.377 1.554 1.00 1.35 C ATOM 0 H MET A 137 58.990 6.183 6.881 1.00 0.55 H new ATOM 0 HA MET A 137 61.497 4.795 6.454 1.00 0.59 H new ATOM 0 HB2 MET A 137 59.760 6.696 5.234 1.00 0.60 H new ATOM 0 HB3 MET A 137 61.229 7.603 5.537 1.00 0.60 H new ATOM 0 HG2 MET A 137 62.359 5.328 4.559 1.00 0.96 H new ATOM 0 HG3 MET A 137 60.807 5.213 3.752 1.00 0.96 H new ATOM 0 HE1 MET A 137 62.133 6.066 0.889 1.00 1.35 H new ATOM 0 HE2 MET A 137 60.744 5.505 1.849 1.00 1.35 H new ATOM 0 HE3 MET A 137 60.683 7.087 1.036 1.00 1.35 H new ATOM 820 N LYS A 138 61.604 7.077 8.660 1.00 0.62 N ATOM 821 CA LYS A 138 62.531 7.787 9.588 1.00 0.79 C ATOM 822 C LYS A 138 63.758 6.918 9.866 1.00 0.86 C ATOM 823 O LYS A 138 64.885 7.339 9.688 1.00 1.16 O ATOM 824 CB LYS A 138 61.725 8.005 10.869 1.00 0.87 C ATOM 825 CG LYS A 138 61.709 9.495 11.217 1.00 1.55 C ATOM 826 CD LYS A 138 61.555 9.664 12.730 1.00 2.07 C ATOM 827 CE LYS A 138 62.889 10.108 13.334 1.00 2.85 C ATOM 828 NZ LYS A 138 63.307 8.981 14.214 1.00 3.36 N ATOM 0 H LYS A 138 60.620 7.097 8.929 1.00 0.62 H new ATOM 0 HA LYS A 138 62.892 8.728 9.173 1.00 0.79 H new ATOM 0 HB2 LYS A 138 60.706 7.641 10.736 1.00 0.87 H new ATOM 0 HB3 LYS A 138 62.163 7.434 11.688 1.00 0.87 H new ATOM 0 HG2 LYS A 138 62.631 9.968 10.880 1.00 1.55 H new ATOM 0 HG3 LYS A 138 60.888 9.991 10.699 1.00 1.55 H new ATOM 0 HD2 LYS A 138 60.782 10.401 12.947 1.00 2.07 H new ATOM 0 HD3 LYS A 138 61.235 8.725 13.181 1.00 2.07 H new ATOM 0 HE2 LYS A 138 63.630 10.298 12.558 1.00 2.85 H new ATOM 0 HE3 LYS A 138 62.777 11.032 13.902 1.00 2.85 H new ATOM 0 HZ1 LYS A 138 64.216 9.211 14.665 1.00 3.36 H new ATOM 0 HZ2 LYS A 138 62.586 8.827 14.947 1.00 3.36 H new ATOM 0 HZ3 LYS A 138 63.412 8.117 13.645 1.00 3.36 H new ATOM 842 N ASP A 139 63.549 5.703 10.296 1.00 0.71 N ATOM 843 CA ASP A 139 64.703 4.805 10.581 1.00 0.85 C ATOM 844 C ASP A 139 65.156 4.108 9.295 1.00 0.85 C ATOM 845 O ASP A 139 66.277 3.652 9.187 1.00 1.02 O ATOM 846 CB ASP A 139 64.171 3.784 11.588 1.00 0.97 C ATOM 847 CG ASP A 139 63.885 4.483 12.919 1.00 1.50 C ATOM 848 OD1 ASP A 139 63.433 5.616 12.886 1.00 1.80 O ATOM 849 OD2 ASP A 139 64.121 3.873 13.948 1.00 2.33 O ATOM 0 H ASP A 139 62.629 5.294 10.462 1.00 0.71 H new ATOM 0 HA ASP A 139 65.565 5.347 10.970 1.00 0.85 H new ATOM 0 HB2 ASP A 139 63.262 3.320 11.206 1.00 0.97 H new ATOM 0 HB3 ASP A 139 64.900 2.986 11.733 1.00 0.97 H new ATOM 854 N GLY A 140 64.293 4.021 8.320 1.00 0.81 N ATOM 855 CA GLY A 140 64.673 3.355 7.043 1.00 0.86 C ATOM 856 C GLY A 140 65.844 4.104 6.405 1.00 0.77 C ATOM 857 O GLY A 140 66.663 3.526 5.719 1.00 0.86 O ATOM 0 H GLY A 140 63.340 4.383 8.353 1.00 0.81 H new ATOM 0 HA2 GLY A 140 64.950 2.318 7.230 1.00 0.86 H new ATOM 0 HA3 GLY A 140 63.823 3.340 6.361 1.00 0.86 H new ATOM 861 N ASP A 141 65.929 5.388 6.626 1.00 0.70 N ATOM 862 CA ASP A 141 67.048 6.174 6.032 1.00 0.66 C ATOM 863 C ASP A 141 68.339 5.935 6.817 1.00 0.74 C ATOM 864 O ASP A 141 68.581 6.553 7.835 1.00 0.87 O ATOM 865 CB ASP A 141 66.612 7.635 6.153 1.00 0.66 C ATOM 866 CG ASP A 141 66.823 8.343 4.813 1.00 0.76 C ATOM 867 OD1 ASP A 141 67.474 7.767 3.957 1.00 0.92 O ATOM 868 OD2 ASP A 141 66.330 9.449 4.666 1.00 0.83 O ATOM 0 H ASP A 141 65.273 5.926 7.192 1.00 0.70 H new ATOM 0 HA ASP A 141 67.248 5.891 4.999 1.00 0.66 H new ATOM 0 HB2 ASP A 141 65.563 7.690 6.444 1.00 0.66 H new ATOM 0 HB3 ASP A 141 67.186 8.133 6.934 1.00 0.66 H new ATOM 873 N LYS A 142 69.172 5.046 6.351 1.00 0.75 N ATOM 874 CA LYS A 142 70.448 4.770 7.071 1.00 0.87 C ATOM 875 C LYS A 142 71.289 6.048 7.158 1.00 0.89 C ATOM 876 O LYS A 142 72.209 6.145 7.944 1.00 1.05 O ATOM 877 CB LYS A 142 71.159 3.716 6.222 1.00 0.89 C ATOM 878 CG LYS A 142 71.851 2.705 7.137 1.00 1.24 C ATOM 879 CD LYS A 142 72.073 1.397 6.375 1.00 1.26 C ATOM 880 CE LYS A 142 73.564 1.054 6.370 1.00 1.55 C ATOM 881 NZ LYS A 142 73.799 0.344 7.659 1.00 1.99 N ATOM 0 H LYS A 142 69.025 4.499 5.503 1.00 0.75 H new ATOM 0 HA LYS A 142 70.284 4.427 8.092 1.00 0.87 H new ATOM 0 HB2 LYS A 142 70.441 3.208 5.578 1.00 0.89 H new ATOM 0 HB3 LYS A 142 71.891 4.192 5.570 1.00 0.89 H new ATOM 0 HG2 LYS A 142 72.805 3.104 7.482 1.00 1.24 H new ATOM 0 HG3 LYS A 142 71.242 2.524 8.023 1.00 1.24 H new ATOM 0 HD2 LYS A 142 71.506 0.592 6.841 1.00 1.26 H new ATOM 0 HD3 LYS A 142 71.708 1.493 5.352 1.00 1.26 H new ATOM 0 HE2 LYS A 142 73.821 0.423 5.519 1.00 1.55 H new ATOM 0 HE3 LYS A 142 74.176 1.953 6.297 1.00 1.55 H new ATOM 0 HZ1 LYS A 142 74.801 0.076 7.730 1.00 1.99 H new ATOM 0 HZ2 LYS A 142 73.552 0.971 8.451 1.00 1.99 H new ATOM 0 HZ3 LYS A 142 73.208 -0.511 7.697 1.00 1.99 H new ATOM 895 N ASN A 143 70.976 7.028 6.355 1.00 0.85 N ATOM 896 CA ASN A 143 71.755 8.299 6.390 1.00 1.05 C ATOM 897 C ASN A 143 70.805 9.501 6.385 1.00 1.07 C ATOM 898 O ASN A 143 71.228 10.640 6.344 1.00 1.56 O ATOM 899 CB ASN A 143 72.603 8.280 5.118 1.00 1.08 C ATOM 900 CG ASN A 143 71.691 8.405 3.896 1.00 1.05 C ATOM 901 OD1 ASN A 143 70.501 8.176 3.987 1.00 0.98 O ATOM 902 ND2 ASN A 143 72.201 8.760 2.750 1.00 1.48 N ATOM 0 H ASN A 143 70.215 7.004 5.676 1.00 0.85 H new ATOM 0 HA ASN A 143 72.369 8.383 7.287 1.00 1.05 H new ATOM 0 HB2 ASN A 143 73.321 9.100 5.135 1.00 1.08 H new ATOM 0 HB3 ASN A 143 73.177 7.355 5.064 1.00 1.08 H new ATOM 0 HD21 ASN A 143 71.601 8.846 1.929 1.00 1.48 H new ATOM 0 HD22 ASN A 143 73.200 8.952 2.674 1.00 1.48 H new ATOM 909 N ASN A 144 69.524 9.255 6.427 1.00 0.78 N ATOM 910 CA ASN A 144 68.545 10.380 6.425 1.00 0.82 C ATOM 911 C ASN A 144 68.858 11.358 5.289 1.00 0.82 C ATOM 912 O ASN A 144 69.066 12.535 5.510 1.00 0.92 O ATOM 913 CB ASN A 144 68.721 11.062 7.782 1.00 0.95 C ATOM 914 CG ASN A 144 68.775 10.000 8.882 1.00 1.47 C ATOM 915 OD1 ASN A 144 69.738 9.919 9.618 1.00 2.28 O ATOM 916 ND2 ASN A 144 67.772 9.177 9.026 1.00 1.93 N ATOM 0 H ASN A 144 69.112 8.322 6.463 1.00 0.78 H new ATOM 0 HA ASN A 144 67.523 10.034 6.271 1.00 0.82 H new ATOM 0 HB2 ASN A 144 69.636 11.654 7.788 1.00 0.95 H new ATOM 0 HB3 ASN A 144 67.895 11.750 7.965 1.00 0.95 H new ATOM 0 HD21 ASN A 144 67.797 8.466 9.757 1.00 1.93 H new ATOM 0 HD22 ASN A 144 66.964 9.245 8.408 1.00 1.93 H new ATOM 923 N ASP A 145 68.890 10.882 4.076 1.00 0.75 N ATOM 924 CA ASP A 145 69.189 11.785 2.927 1.00 0.78 C ATOM 925 C ASP A 145 67.898 12.139 2.183 1.00 0.74 C ATOM 926 O ASP A 145 67.916 12.827 1.180 1.00 0.81 O ATOM 927 CB ASP A 145 70.126 10.980 2.025 1.00 0.76 C ATOM 928 CG ASP A 145 69.361 9.804 1.416 1.00 1.12 C ATOM 929 OD1 ASP A 145 68.290 9.497 1.914 1.00 1.72 O ATOM 930 OD2 ASP A 145 69.858 9.230 0.461 1.00 1.85 O ATOM 0 H ASP A 145 68.722 9.907 3.829 1.00 0.75 H new ATOM 0 HA ASP A 145 69.639 12.725 3.246 1.00 0.78 H new ATOM 0 HB2 ASP A 145 70.524 11.617 1.235 1.00 0.76 H new ATOM 0 HB3 ASP A 145 70.977 10.615 2.600 1.00 0.76 H new ATOM 935 N GLY A 146 66.778 11.675 2.665 1.00 0.69 N ATOM 936 CA GLY A 146 65.489 11.984 1.985 1.00 0.70 C ATOM 937 C GLY A 146 65.109 10.828 1.060 1.00 0.58 C ATOM 938 O GLY A 146 63.949 10.502 0.902 1.00 0.62 O ATOM 0 H GLY A 146 66.700 11.095 3.501 1.00 0.69 H new ATOM 0 HA2 GLY A 146 64.705 12.144 2.725 1.00 0.70 H new ATOM 0 HA3 GLY A 146 65.580 12.907 1.412 1.00 0.70 H new ATOM 942 N ARG A 147 66.076 10.205 0.446 1.00 0.54 N ATOM 943 CA ARG A 147 65.767 9.072 -0.471 1.00 0.49 C ATOM 944 C ARG A 147 66.329 7.760 0.084 1.00 0.44 C ATOM 945 O ARG A 147 66.982 7.735 1.109 1.00 0.56 O ATOM 946 CB ARG A 147 66.451 9.433 -1.788 1.00 0.57 C ATOM 947 CG ARG A 147 65.440 10.111 -2.714 1.00 0.78 C ATOM 948 CD ARG A 147 66.135 11.218 -3.508 1.00 0.73 C ATOM 949 NE ARG A 147 65.616 12.488 -2.930 1.00 1.07 N ATOM 950 CZ ARG A 147 64.906 13.298 -3.666 1.00 1.60 C ATOM 951 NH1 ARG A 147 65.358 13.690 -4.826 1.00 2.32 N ATOM 952 NH2 ARG A 147 63.745 13.717 -3.242 1.00 2.22 N ATOM 0 H ARG A 147 67.066 10.431 0.539 1.00 0.54 H new ATOM 0 HA ARG A 147 64.694 8.925 -0.592 1.00 0.49 H new ATOM 0 HB2 ARG A 147 67.294 10.098 -1.603 1.00 0.57 H new ATOM 0 HB3 ARG A 147 66.850 8.536 -2.261 1.00 0.57 H new ATOM 0 HG2 ARG A 147 65.007 9.378 -3.395 1.00 0.78 H new ATOM 0 HG3 ARG A 147 64.619 10.528 -2.130 1.00 0.78 H new ATOM 0 HD2 ARG A 147 67.219 11.153 -3.410 1.00 0.73 H new ATOM 0 HD3 ARG A 147 65.906 11.145 -4.571 1.00 0.73 H new ATOM 0 HE ARG A 147 65.816 12.725 -1.958 1.00 1.07 H new ATOM 0 HH11 ARG A 147 66.266 13.363 -5.157 1.00 2.32 H new ATOM 0 HH12 ARG A 147 64.803 14.323 -5.402 1.00 2.32 H new ATOM 0 HH21 ARG A 147 63.393 13.411 -2.335 1.00 2.22 H new ATOM 0 HH22 ARG A 147 63.190 14.350 -3.818 1.00 2.22 H new ATOM 966 N ILE A 148 66.076 6.671 -0.588 1.00 0.35 N ATOM 967 CA ILE A 148 66.586 5.354 -0.108 1.00 0.36 C ATOM 968 C ILE A 148 67.105 4.527 -1.293 1.00 0.40 C ATOM 969 O ILE A 148 66.464 4.424 -2.319 1.00 0.41 O ATOM 970 CB ILE A 148 65.372 4.680 0.543 1.00 0.35 C ATOM 971 CG1 ILE A 148 65.225 5.185 1.981 1.00 0.40 C ATOM 972 CG2 ILE A 148 65.558 3.160 0.557 1.00 0.43 C ATOM 973 CD1 ILE A 148 64.071 4.451 2.666 1.00 0.40 C ATOM 0 H ILE A 148 65.536 6.636 -1.453 1.00 0.35 H new ATOM 0 HA ILE A 148 67.417 5.453 0.591 1.00 0.36 H new ATOM 0 HB ILE A 148 64.478 4.924 -0.030 1.00 0.35 H new ATOM 0 HG12 ILE A 148 66.151 5.021 2.531 1.00 0.40 H new ATOM 0 HG13 ILE A 148 65.039 6.259 1.983 1.00 0.40 H new ATOM 0 HG21 ILE A 148 64.690 2.692 1.021 1.00 0.43 H new ATOM 0 HG22 ILE A 148 65.663 2.797 -0.465 1.00 0.43 H new ATOM 0 HG23 ILE A 148 66.454 2.908 1.125 1.00 0.43 H new ATOM 0 HD11 ILE A 148 63.967 4.811 3.690 1.00 0.40 H new ATOM 0 HD12 ILE A 148 63.146 4.637 2.120 1.00 0.40 H new ATOM 0 HD13 ILE A 148 64.276 3.381 2.677 1.00 0.40 H new ATOM 985 N ASP A 149 68.259 3.933 -1.152 1.00 0.47 N ATOM 986 CA ASP A 149 68.814 3.109 -2.268 1.00 0.55 C ATOM 987 C ASP A 149 68.667 1.619 -1.942 1.00 0.58 C ATOM 988 O ASP A 149 67.909 1.238 -1.074 1.00 0.54 O ATOM 989 CB ASP A 149 70.292 3.498 -2.373 1.00 0.65 C ATOM 990 CG ASP A 149 70.913 3.570 -0.977 1.00 1.32 C ATOM 991 OD1 ASP A 149 71.356 2.543 -0.494 1.00 2.16 O ATOM 992 OD2 ASP A 149 70.933 4.653 -0.415 1.00 2.00 O ATOM 0 H ASP A 149 68.841 3.981 -0.316 1.00 0.47 H new ATOM 0 HA ASP A 149 68.290 3.285 -3.207 1.00 0.55 H new ATOM 0 HB2 ASP A 149 70.827 2.768 -2.981 1.00 0.65 H new ATOM 0 HB3 ASP A 149 70.389 4.462 -2.873 1.00 0.65 H new ATOM 997 N TYR A 150 69.380 0.773 -2.637 1.00 0.67 N ATOM 998 CA TYR A 150 69.270 -0.691 -2.367 1.00 0.73 C ATOM 999 C TYR A 150 69.866 -1.036 -0.997 1.00 0.75 C ATOM 1000 O TYR A 150 69.493 -2.013 -0.378 1.00 0.76 O ATOM 1001 CB TYR A 150 70.074 -1.360 -3.484 1.00 0.84 C ATOM 1002 CG TYR A 150 70.097 -2.853 -3.260 1.00 0.97 C ATOM 1003 CD1 TYR A 150 68.903 -3.583 -3.290 1.00 1.74 C ATOM 1004 CD2 TYR A 150 71.311 -3.506 -3.018 1.00 1.63 C ATOM 1005 CE1 TYR A 150 68.922 -4.967 -3.080 1.00 2.14 C ATOM 1006 CE2 TYR A 150 71.331 -4.890 -2.808 1.00 2.06 C ATOM 1007 CZ TYR A 150 70.137 -5.620 -2.839 1.00 2.02 C ATOM 1008 OH TYR A 150 70.157 -6.984 -2.631 1.00 2.63 O ATOM 0 H TYR A 150 70.032 1.031 -3.378 1.00 0.67 H new ATOM 0 HA TYR A 150 68.233 -1.026 -2.349 1.00 0.73 H new ATOM 0 HB2 TYR A 150 69.629 -1.133 -4.453 1.00 0.84 H new ATOM 0 HB3 TYR A 150 71.091 -0.968 -3.500 1.00 0.84 H new ATOM 0 HD1 TYR A 150 67.966 -3.078 -3.475 1.00 1.74 H new ATOM 0 HD2 TYR A 150 72.232 -2.942 -2.993 1.00 1.63 H new ATOM 0 HE1 TYR A 150 68.001 -5.530 -3.104 1.00 2.14 H new ATOM 0 HE2 TYR A 150 72.268 -5.394 -2.622 1.00 2.06 H new ATOM 0 HH TYR A 150 71.079 -7.278 -2.479 1.00 2.63 H new ATOM 1018 N ASP A 151 70.788 -0.246 -0.522 1.00 0.78 N ATOM 1019 CA ASP A 151 71.406 -0.535 0.807 1.00 0.82 C ATOM 1020 C ASP A 151 70.486 -0.065 1.939 1.00 0.74 C ATOM 1021 O ASP A 151 70.089 -0.836 2.790 1.00 0.76 O ATOM 1022 CB ASP A 151 72.716 0.254 0.816 1.00 0.87 C ATOM 1023 CG ASP A 151 73.885 -0.691 0.533 1.00 1.31 C ATOM 1024 OD1 ASP A 151 74.191 -0.890 -0.631 1.00 2.08 O ATOM 1025 OD2 ASP A 151 74.455 -1.199 1.484 1.00 1.67 O ATOM 0 H ASP A 151 71.141 0.586 -0.994 1.00 0.78 H new ATOM 0 HA ASP A 151 71.571 -1.602 0.959 1.00 0.82 H new ATOM 0 HB2 ASP A 151 72.683 1.043 0.064 1.00 0.87 H new ATOM 0 HB3 ASP A 151 72.853 0.740 1.782 1.00 0.87 H new ATOM 1030 N GLU A 152 70.143 1.196 1.958 1.00 0.67 N ATOM 1031 CA GLU A 152 69.251 1.710 3.038 1.00 0.61 C ATOM 1032 C GLU A 152 67.888 1.013 2.974 1.00 0.58 C ATOM 1033 O GLU A 152 67.248 0.785 3.981 1.00 0.58 O ATOM 1034 CB GLU A 152 69.103 3.206 2.756 1.00 0.59 C ATOM 1035 CG GLU A 152 70.489 3.836 2.594 1.00 0.76 C ATOM 1036 CD GLU A 152 70.410 5.331 2.908 1.00 0.75 C ATOM 1037 OE1 GLU A 152 69.688 5.687 3.825 1.00 1.39 O ATOM 1038 OE2 GLU A 152 71.074 6.096 2.228 1.00 1.20 O ATOM 0 H GLU A 152 70.441 1.891 1.274 1.00 0.67 H new ATOM 0 HA GLU A 152 69.657 1.523 4.032 1.00 0.61 H new ATOM 0 HB2 GLU A 152 68.514 3.360 1.852 1.00 0.59 H new ATOM 0 HB3 GLU A 152 68.566 3.689 3.572 1.00 0.59 H new ATOM 0 HG2 GLU A 152 71.201 3.351 3.261 1.00 0.76 H new ATOM 0 HG3 GLU A 152 70.852 3.686 1.577 1.00 0.76 H new ATOM 1045 N PHE A 153 67.439 0.671 1.795 1.00 0.60 N ATOM 1046 CA PHE A 153 66.120 -0.014 1.667 1.00 0.61 C ATOM 1047 C PHE A 153 66.198 -1.419 2.269 1.00 0.66 C ATOM 1048 O PHE A 153 65.303 -1.862 2.960 1.00 0.71 O ATOM 1049 CB PHE A 153 65.859 -0.085 0.159 1.00 0.64 C ATOM 1050 CG PHE A 153 64.799 -1.124 -0.131 1.00 0.68 C ATOM 1051 CD1 PHE A 153 65.144 -2.481 -0.166 1.00 1.18 C ATOM 1052 CD2 PHE A 153 63.477 -0.731 -0.367 1.00 1.47 C ATOM 1053 CE1 PHE A 153 64.166 -3.445 -0.436 1.00 1.24 C ATOM 1054 CE2 PHE A 153 62.498 -1.696 -0.636 1.00 1.55 C ATOM 1055 CZ PHE A 153 62.843 -3.053 -0.671 1.00 0.93 C ATOM 0 H PHE A 153 67.929 0.837 0.916 1.00 0.60 H new ATOM 0 HA PHE A 153 65.323 0.512 2.193 1.00 0.61 H new ATOM 0 HB2 PHE A 153 65.537 0.889 -0.209 1.00 0.64 H new ATOM 0 HB3 PHE A 153 66.780 -0.336 -0.367 1.00 0.64 H new ATOM 0 HD1 PHE A 153 66.165 -2.783 0.015 1.00 1.18 H new ATOM 0 HD2 PHE A 153 63.212 0.316 -0.342 1.00 1.47 H new ATOM 0 HE1 PHE A 153 64.432 -4.491 -0.463 1.00 1.24 H new ATOM 0 HE2 PHE A 153 61.477 -1.394 -0.816 1.00 1.55 H new ATOM 0 HZ PHE A 153 62.088 -3.797 -0.879 1.00 0.93 H new ATOM 1065 N LEU A 154 67.265 -2.124 2.007 1.00 0.72 N ATOM 1066 CA LEU A 154 67.405 -3.501 2.559 1.00 0.80 C ATOM 1067 C LEU A 154 67.293 -3.478 4.085 1.00 0.79 C ATOM 1068 O LEU A 154 66.742 -4.377 4.690 1.00 0.82 O ATOM 1069 CB LEU A 154 68.800 -3.954 2.132 1.00 0.92 C ATOM 1070 CG LEU A 154 68.677 -5.051 1.077 1.00 0.85 C ATOM 1071 CD1 LEU A 154 69.863 -4.968 0.114 1.00 1.74 C ATOM 1072 CD2 LEU A 154 68.670 -6.417 1.764 1.00 1.54 C ATOM 0 H LEU A 154 68.046 -1.805 1.434 1.00 0.72 H new ATOM 0 HA LEU A 154 66.626 -4.172 2.196 1.00 0.80 H new ATOM 0 HB2 LEU A 154 69.361 -3.110 1.731 1.00 0.92 H new ATOM 0 HB3 LEU A 154 69.354 -4.324 2.995 1.00 0.92 H new ATOM 0 HG LEU A 154 67.749 -4.919 0.520 1.00 0.85 H new ATOM 0 HD11 LEU A 154 69.776 -5.751 -0.639 1.00 1.74 H new ATOM 0 HD12 LEU A 154 69.868 -3.994 -0.374 1.00 1.74 H new ATOM 0 HD13 LEU A 154 70.792 -5.100 0.669 1.00 1.74 H new ATOM 0 HD21 LEU A 154 68.582 -7.202 1.013 1.00 1.54 H new ATOM 0 HD22 LEU A 154 69.598 -6.549 2.320 1.00 1.54 H new ATOM 0 HD23 LEU A 154 67.825 -6.475 2.450 1.00 1.54 H new ATOM 1084 N GLU A 155 67.816 -2.461 4.713 1.00 0.79 N ATOM 1085 CA GLU A 155 67.743 -2.388 6.199 1.00 0.82 C ATOM 1086 C GLU A 155 66.433 -1.726 6.637 1.00 0.81 C ATOM 1087 O GLU A 155 65.973 -1.913 7.746 1.00 0.90 O ATOM 1088 CB GLU A 155 68.941 -1.532 6.613 1.00 0.85 C ATOM 1089 CG GLU A 155 69.848 -2.340 7.542 1.00 0.95 C ATOM 1090 CD GLU A 155 70.824 -3.171 6.708 1.00 1.67 C ATOM 1091 OE1 GLU A 155 70.680 -3.178 5.496 1.00 2.47 O ATOM 1092 OE2 GLU A 155 71.700 -3.786 7.294 1.00 2.27 O ATOM 0 H GLU A 155 68.290 -1.679 4.262 1.00 0.79 H new ATOM 0 HA GLU A 155 67.767 -3.375 6.661 1.00 0.82 H new ATOM 0 HB2 GLU A 155 69.497 -1.214 5.731 1.00 0.85 H new ATOM 0 HB3 GLU A 155 68.599 -0.628 7.117 1.00 0.85 H new ATOM 0 HG2 GLU A 155 70.397 -1.670 8.204 1.00 0.95 H new ATOM 0 HG3 GLU A 155 69.248 -2.993 8.176 1.00 0.95 H new ATOM 1099 N PHE A 156 65.830 -0.951 5.776 1.00 0.75 N ATOM 1100 CA PHE A 156 64.552 -0.278 6.149 1.00 0.78 C ATOM 1101 C PHE A 156 63.437 -1.313 6.329 1.00 0.84 C ATOM 1102 O PHE A 156 62.628 -1.214 7.229 1.00 0.90 O ATOM 1103 CB PHE A 156 64.234 0.649 4.976 1.00 0.78 C ATOM 1104 CG PHE A 156 62.808 1.131 5.094 1.00 0.85 C ATOM 1105 CD1 PHE A 156 62.283 1.458 6.350 1.00 1.66 C ATOM 1106 CD2 PHE A 156 62.011 1.250 3.949 1.00 1.27 C ATOM 1107 CE1 PHE A 156 60.961 1.903 6.461 1.00 1.77 C ATOM 1108 CE2 PHE A 156 60.690 1.695 4.060 1.00 1.31 C ATOM 1109 CZ PHE A 156 60.164 2.022 5.317 1.00 1.10 C ATOM 0 H PHE A 156 66.166 -0.755 4.833 1.00 0.75 H new ATOM 0 HA PHE A 156 64.635 0.266 7.090 1.00 0.78 H new ATOM 0 HB2 PHE A 156 64.918 1.498 4.972 1.00 0.78 H new ATOM 0 HB3 PHE A 156 64.375 0.122 4.032 1.00 0.78 H new ATOM 0 HD1 PHE A 156 62.898 1.367 7.233 1.00 1.66 H new ATOM 0 HD2 PHE A 156 62.416 0.998 2.980 1.00 1.27 H new ATOM 0 HE1 PHE A 156 60.556 2.155 7.430 1.00 1.77 H new ATOM 0 HE2 PHE A 156 60.075 1.787 3.177 1.00 1.31 H new ATOM 0 HZ PHE A 156 59.144 2.366 5.403 1.00 1.10 H new ATOM 1119 N MET A 157 63.388 -2.302 5.479 1.00 0.86 N ATOM 1120 CA MET A 157 62.324 -3.339 5.602 1.00 0.95 C ATOM 1121 C MET A 157 62.733 -4.397 6.630 1.00 0.99 C ATOM 1122 O MET A 157 61.921 -4.883 7.393 1.00 1.12 O ATOM 1123 CB MET A 157 62.212 -3.959 4.209 1.00 0.99 C ATOM 1124 CG MET A 157 60.760 -4.365 3.944 1.00 1.28 C ATOM 1125 SD MET A 157 60.556 -4.761 2.190 1.00 1.48 S ATOM 1126 CE MET A 157 60.876 -3.102 1.545 1.00 1.12 C ATOM 0 H MET A 157 64.038 -2.437 4.705 1.00 0.86 H new ATOM 0 HA MET A 157 61.376 -2.920 5.939 1.00 0.95 H new ATOM 0 HB2 MET A 157 62.545 -3.246 3.455 1.00 0.99 H new ATOM 0 HB3 MET A 157 62.863 -4.830 4.134 1.00 0.99 H new ATOM 0 HG2 MET A 157 60.495 -5.227 4.556 1.00 1.28 H new ATOM 0 HG3 MET A 157 60.087 -3.555 4.226 1.00 1.28 H new ATOM 0 HE1 MET A 157 60.467 -3.018 0.538 1.00 1.12 H new ATOM 0 HE2 MET A 157 60.404 -2.363 2.192 1.00 1.12 H new ATOM 0 HE3 MET A 157 61.951 -2.924 1.515 1.00 1.12 H new ATOM 1136 N LYS A 158 63.988 -4.755 6.658 1.00 0.94 N ATOM 1137 CA LYS A 158 64.448 -5.781 7.640 1.00 1.02 C ATOM 1138 C LYS A 158 64.119 -5.327 9.065 1.00 1.05 C ATOM 1139 O LYS A 158 63.228 -5.852 9.703 1.00 1.20 O ATOM 1140 CB LYS A 158 65.962 -5.870 7.439 1.00 1.07 C ATOM 1141 CG LYS A 158 66.390 -7.338 7.431 1.00 1.26 C ATOM 1142 CD LYS A 158 66.785 -7.748 6.012 1.00 1.53 C ATOM 1143 CE LYS A 158 67.066 -9.252 5.975 1.00 1.45 C ATOM 1144 NZ LYS A 158 68.549 -9.362 5.884 1.00 2.07 N ATOM 0 H LYS A 158 64.714 -4.383 6.045 1.00 0.94 H new ATOM 0 HA LYS A 158 63.962 -6.745 7.493 1.00 1.02 H new ATOM 0 HB2 LYS A 158 66.244 -5.393 6.500 1.00 1.07 H new ATOM 0 HB3 LYS A 158 66.478 -5.334 8.236 1.00 1.07 H new ATOM 0 HG2 LYS A 158 67.229 -7.487 8.110 1.00 1.26 H new ATOM 0 HG3 LYS A 158 65.575 -7.967 7.789 1.00 1.26 H new ATOM 0 HD2 LYS A 158 65.985 -7.499 5.314 1.00 1.53 H new ATOM 0 HD3 LYS A 158 67.669 -7.194 5.695 1.00 1.53 H new ATOM 0 HE2 LYS A 158 66.687 -9.747 6.869 1.00 1.45 H new ATOM 0 HE3 LYS A 158 66.581 -9.724 5.120 1.00 1.45 H new ATOM 0 HZ1 LYS A 158 68.822 -10.365 5.854 1.00 2.07 H new ATOM 0 HZ2 LYS A 158 68.880 -8.887 5.020 1.00 2.07 H new ATOM 0 HZ3 LYS A 158 68.982 -8.910 6.715 1.00 2.07 H new ATOM 1158 N GLY A 159 64.830 -4.354 9.567 1.00 1.04 N ATOM 1159 CA GLY A 159 64.555 -3.866 10.947 1.00 1.14 C ATOM 1160 C GLY A 159 63.758 -2.563 10.872 1.00 1.14 C ATOM 1161 O GLY A 159 64.266 -1.496 11.153 1.00 1.38 O ATOM 0 H GLY A 159 65.589 -3.877 9.081 1.00 1.04 H new ATOM 0 HA2 GLY A 159 63.996 -4.616 11.506 1.00 1.14 H new ATOM 0 HA3 GLY A 159 65.491 -3.703 11.481 1.00 1.14 H new ATOM 1165 N VAL A 160 62.514 -2.642 10.486 1.00 1.42 N ATOM 1166 CA VAL A 160 61.684 -1.406 10.384 1.00 1.48 C ATOM 1167 C VAL A 160 61.238 -0.954 11.777 1.00 1.88 C ATOM 1168 O VAL A 160 61.412 0.187 12.156 1.00 2.37 O ATOM 1169 CB VAL A 160 60.468 -1.796 9.536 1.00 1.32 C ATOM 1170 CG1 VAL A 160 59.852 -0.536 8.924 1.00 1.35 C ATOM 1171 CG2 VAL A 160 60.890 -2.745 8.410 1.00 1.49 C ATOM 0 H VAL A 160 62.036 -3.508 10.237 1.00 1.42 H new ATOM 0 HA VAL A 160 62.238 -0.580 9.938 1.00 1.48 H new ATOM 0 HB VAL A 160 59.739 -2.297 10.173 1.00 1.32 H new ATOM 0 HG11 VAL A 160 58.987 -0.810 8.320 1.00 1.35 H new ATOM 0 HG12 VAL A 160 59.539 0.140 9.720 1.00 1.35 H new ATOM 0 HG13 VAL A 160 60.590 -0.039 8.295 1.00 1.35 H new ATOM 0 HG21 VAL A 160 60.017 -3.014 7.815 1.00 1.49 H new ATOM 0 HG22 VAL A 160 61.624 -2.251 7.774 1.00 1.49 H new ATOM 0 HG23 VAL A 160 61.329 -3.646 8.839 1.00 1.49 H new ATOM 1181 N GLU A 161 60.664 -1.842 12.542 1.00 2.17 N ATOM 1182 CA GLU A 161 60.207 -1.464 13.910 1.00 2.67 C ATOM 1183 C GLU A 161 61.361 -1.594 14.907 1.00 3.21 C ATOM 1184 O GLU A 161 62.251 -2.388 14.653 1.00 3.74 O ATOM 1185 CB GLU A 161 59.095 -2.458 14.246 1.00 3.19 C ATOM 1186 CG GLU A 161 58.605 -2.213 15.674 1.00 3.64 C ATOM 1187 CD GLU A 161 57.090 -2.001 15.666 1.00 4.40 C ATOM 1188 OE1 GLU A 161 56.654 -1.013 15.099 1.00 4.73 O ATOM 1189 OE2 GLU A 161 56.392 -2.830 16.226 1.00 5.03 O ATOM 1190 OXT GLU A 161 61.334 -0.897 15.908 1.00 3.58 O ATOM 0 H GLU A 161 60.492 -2.812 12.279 1.00 2.17 H new ATOM 0 HA GLU A 161 59.859 -0.432 13.958 1.00 2.67 H new ATOM 0 HB2 GLU A 161 58.269 -2.347 13.543 1.00 3.19 H new ATOM 0 HB3 GLU A 161 59.463 -3.479 14.147 1.00 3.19 H new ATOM 0 HG2 GLU A 161 58.860 -3.062 16.308 1.00 3.64 H new ATOM 0 HG3 GLU A 161 59.103 -1.340 16.095 1.00 3.64 H new TER 1197 GLU A 161 HETATM 1198 CA CA A 1 62.965 7.607 -6.520 1.00 0.50 CA HETATM 1199 CA CA A 2 69.185 7.283 1.865 1.00 0.74 CA