USER MOD reduce.3.24.130724 H: found=0, std=0, add=526, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 522 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 1 CYS N :NH3+ 172:sc= 0 (180deg=-0.0611) USER MOD Single : A 1 CYS SG : rot 180:sc= 0 USER MOD Single : A 5 ASN : amide:sc= -0.292 X(o=-0.29,f=-0.0053) USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=-0.03) USER MOD Single : A 9 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.112) USER MOD Single : A 15 HIS : no HE2:sc= 0.228 K(o=0.23,f=-1.5) USER MOD Single : A 21 GLN : amide:sc= -0.0579 K(o=-0.058,f=-1) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.121 USER MOD Single : A 29 GLN : amide:sc= -1.42 K(o=-1.4,f=-7!) USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 HIS : no HE2:sc= -7.44! C(o=-7.4!,f=-14!) USER MOD Single : B 1 CYS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 CYS SG : rot 180:sc= 0 USER MOD Single : B 5 ASN : amide:sc= -0.0997 X(o=-0.1,f=0) USER MOD Single : B 8 GLN : amide:sc= -0.116 X(o=-0.12,f=-0.002) USER MOD Single : B 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 HIS : no HE2:sc= 0.241 K(o=0.24,f=-1.3) USER MOD Single : B 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 25 THR OG1 : rot 81:sc= 0.12 USER MOD Single : B 29 GLN : amide:sc= -0.226 K(o=-0.23,f=-2.1!) USER MOD Single : B 30 GLN : amide:sc= -0.73 K(o=-0.73,f=-2.4!) USER MOD Single : B 31 HIS : no HE2:sc= -8.25! C(o=-8.2!,f=-14!) USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 1 10.873 27.531 -4.678 1.00 4.71 N ATOM 2 CA CYS A 1 9.458 27.964 -4.819 1.00 4.20 C ATOM 3 C CYS A 1 8.499 26.887 -4.323 1.00 3.72 C ATOM 4 O CYS A 1 7.453 26.648 -4.927 1.00 4.32 O ATOM 5 CB CYS A 1 9.189 28.274 -6.293 1.00 4.04 C ATOM 6 SG CYS A 1 9.544 29.983 -6.765 1.00 4.94 S ATOM 0 H1 CYS A 1 11.495 28.221 -5.145 1.00 4.71 H new ATOM 0 H2 CYS A 1 11.119 27.470 -3.669 1.00 4.71 H new ATOM 0 H3 CYS A 1 10.996 26.598 -5.121 1.00 4.71 H new ATOM 0 HA CYS A 1 9.293 28.854 -4.211 1.00 4.20 H new ATOM 0 HB2 CYS A 1 9.790 27.606 -6.909 1.00 4.04 H new ATOM 0 HB3 CYS A 1 8.144 28.057 -6.514 1.00 4.04 H new ATOM 0 HG CYS A 1 9.288 30.146 -8.029 1.00 4.94 H new ATOM 12 N GLY A 2 8.863 26.240 -3.221 1.00 3.04 N ATOM 13 CA GLY A 2 8.024 25.197 -2.663 1.00 2.89 C ATOM 14 C GLY A 2 8.301 24.953 -1.193 1.00 2.25 C ATOM 15 O GLY A 2 9.451 24.994 -0.756 1.00 2.72 O ATOM 0 H GLY A 2 9.724 26.420 -2.705 1.00 3.04 H new ATOM 0 HA2 GLY A 2 6.977 25.470 -2.791 1.00 2.89 H new ATOM 0 HA3 GLY A 2 8.183 24.272 -3.218 1.00 2.89 H new ATOM 19 N GLY A 3 7.244 24.700 -0.428 1.00 1.84 N ATOM 20 CA GLY A 3 7.399 24.454 0.994 1.00 1.56 C ATOM 21 C GLY A 3 6.744 23.158 1.431 1.00 1.41 C ATOM 22 O GLY A 3 5.561 23.136 1.768 1.00 1.64 O ATOM 0 H GLY A 3 6.283 24.661 -0.767 1.00 1.84 H new ATOM 0 HA2 GLY A 3 8.460 24.423 1.241 1.00 1.56 H new ATOM 0 HA3 GLY A 3 6.966 25.283 1.553 1.00 1.56 H new ATOM 26 N ASP A 4 7.517 22.075 1.423 1.00 1.16 N ATOM 27 CA ASP A 4 7.008 20.766 1.821 1.00 1.32 C ATOM 28 C ASP A 4 5.910 20.285 0.879 1.00 1.31 C ATOM 29 O ASP A 4 5.167 19.357 1.200 1.00 1.72 O ATOM 30 CB ASP A 4 6.467 20.817 3.244 1.00 1.55 C ATOM 31 CG ASP A 4 7.509 21.272 4.248 1.00 2.07 C ATOM 32 OD1 ASP A 4 7.974 22.425 4.138 1.00 2.71 O ATOM 33 OD2 ASP A 4 7.861 20.474 5.141 1.00 2.50 O ATOM 0 H ASP A 4 8.498 22.078 1.145 1.00 1.16 H new ATOM 0 HA ASP A 4 7.839 20.063 1.771 1.00 1.32 H new ATOM 0 HB2 ASP A 4 5.613 21.494 3.280 1.00 1.55 H new ATOM 0 HB3 ASP A 4 6.103 19.829 3.526 1.00 1.55 H new ATOM 38 N ASN A 5 5.813 20.914 -0.285 1.00 1.09 N ATOM 39 CA ASN A 5 4.808 20.540 -1.275 1.00 1.25 C ATOM 40 C ASN A 5 4.923 19.058 -1.605 1.00 1.13 C ATOM 41 O ASN A 5 3.949 18.414 -1.997 1.00 1.48 O ATOM 42 CB ASN A 5 4.973 21.375 -2.547 1.00 1.53 C ATOM 43 CG ASN A 5 3.807 21.208 -3.503 1.00 2.03 C ATOM 44 OD1 ASN A 5 3.996 20.922 -4.685 1.00 2.64 O ATOM 45 ND2 ASN A 5 2.594 21.388 -2.995 1.00 2.27 N ATOM 0 H ASN A 5 6.417 21.686 -0.568 1.00 1.09 H new ATOM 0 HA ASN A 5 3.820 20.734 -0.857 1.00 1.25 H new ATOM 0 HB2 ASN A 5 5.071 22.427 -2.278 1.00 1.53 H new ATOM 0 HB3 ASN A 5 5.896 21.087 -3.050 1.00 1.53 H new ATOM 0 HD21 ASN A 5 1.772 21.290 -3.591 1.00 2.27 H new ATOM 0 HD22 ASN A 5 2.484 21.624 -2.009 1.00 2.27 H new ATOM 52 N ILE A 6 6.125 18.523 -1.427 1.00 0.80 N ATOM 53 CA ILE A 6 6.390 17.118 -1.683 1.00 0.71 C ATOM 54 C ILE A 6 5.897 16.266 -0.522 1.00 0.63 C ATOM 55 O ILE A 6 5.245 15.241 -0.718 1.00 0.60 O ATOM 56 CB ILE A 6 7.895 16.870 -1.885 1.00 0.75 C ATOM 57 CG1 ILE A 6 8.488 17.905 -2.844 1.00 1.10 C ATOM 58 CG2 ILE A 6 8.136 15.464 -2.405 1.00 1.03 C ATOM 59 CD1 ILE A 6 9.990 17.806 -2.989 1.00 1.80 C ATOM 0 H ILE A 6 6.937 19.049 -1.103 1.00 0.80 H new ATOM 0 HA ILE A 6 5.858 16.840 -2.593 1.00 0.71 H new ATOM 0 HB ILE A 6 8.392 16.972 -0.920 1.00 0.75 H new ATOM 0 HG12 ILE A 6 8.028 17.785 -3.825 1.00 1.10 H new ATOM 0 HG13 ILE A 6 8.231 18.904 -2.492 1.00 1.10 H new ATOM 0 HG21 ILE A 6 9.206 15.305 -2.542 1.00 1.03 H new ATOM 0 HG22 ILE A 6 7.751 14.740 -1.687 1.00 1.03 H new ATOM 0 HG23 ILE A 6 7.625 15.336 -3.359 1.00 1.03 H new ATOM 0 HD11 ILE A 6 10.340 18.570 -3.683 1.00 1.80 H new ATOM 0 HD12 ILE A 6 10.460 17.957 -2.017 1.00 1.80 H new ATOM 0 HD13 ILE A 6 10.254 16.820 -3.371 1.00 1.80 H new ATOM 71 N GLU A 7 6.213 16.711 0.689 1.00 0.66 N ATOM 72 CA GLU A 7 5.805 16.008 1.900 1.00 0.63 C ATOM 73 C GLU A 7 4.291 15.826 1.939 1.00 0.59 C ATOM 74 O GLU A 7 3.783 14.888 2.553 1.00 0.56 O ATOM 75 CB GLU A 7 6.270 16.774 3.141 1.00 0.76 C ATOM 76 CG GLU A 7 6.092 16.000 4.436 1.00 0.78 C ATOM 77 CD GLU A 7 7.279 16.143 5.369 1.00 1.41 C ATOM 78 OE1 GLU A 7 8.426 16.148 4.874 1.00 1.96 O ATOM 79 OE2 GLU A 7 7.062 16.251 6.594 1.00 2.15 O ATOM 0 H GLU A 7 6.753 17.560 0.859 1.00 0.66 H new ATOM 0 HA GLU A 7 6.272 15.023 1.893 1.00 0.63 H new ATOM 0 HB2 GLU A 7 7.322 17.033 3.024 1.00 0.76 H new ATOM 0 HB3 GLU A 7 5.716 17.710 3.208 1.00 0.76 H new ATOM 0 HG2 GLU A 7 5.192 16.349 4.943 1.00 0.78 H new ATOM 0 HG3 GLU A 7 5.940 14.945 4.207 1.00 0.78 H new ATOM 86 N GLN A 8 3.575 16.724 1.271 1.00 0.64 N ATOM 87 CA GLN A 8 2.121 16.653 1.223 1.00 0.64 C ATOM 88 C GLN A 8 1.679 15.587 0.227 1.00 0.58 C ATOM 89 O GLN A 8 0.717 14.854 0.465 1.00 0.60 O ATOM 90 CB GLN A 8 1.536 18.012 0.832 1.00 0.74 C ATOM 91 CG GLN A 8 0.249 18.353 1.563 1.00 1.08 C ATOM 92 CD GLN A 8 -0.598 19.364 0.814 1.00 1.55 C ATOM 93 OE1 GLN A 8 -1.046 19.108 -0.303 1.00 2.21 O ATOM 94 NE2 GLN A 8 -0.820 20.521 1.428 1.00 2.21 N ATOM 0 H GLN A 8 3.978 17.507 0.757 1.00 0.64 H new ATOM 0 HA GLN A 8 1.752 16.385 2.213 1.00 0.64 H new ATOM 0 HB2 GLN A 8 2.275 18.788 1.033 1.00 0.74 H new ATOM 0 HB3 GLN A 8 1.348 18.022 -0.242 1.00 0.74 H new ATOM 0 HG2 GLN A 8 -0.330 17.442 1.716 1.00 1.08 H new ATOM 0 HG3 GLN A 8 0.490 18.747 2.550 1.00 1.08 H new ATOM 0 HE21 GLN A 8 -0.428 20.690 2.355 1.00 2.21 H new ATOM 0 HE22 GLN A 8 -1.382 21.240 0.973 1.00 2.21 H new ATOM 103 N LYS A 9 2.397 15.505 -0.887 1.00 0.56 N ATOM 104 CA LYS A 9 2.094 14.529 -1.924 1.00 0.54 C ATOM 105 C LYS A 9 2.180 13.110 -1.377 1.00 0.47 C ATOM 106 O LYS A 9 1.367 12.252 -1.722 1.00 0.52 O ATOM 107 CB LYS A 9 3.054 14.694 -3.105 1.00 0.59 C ATOM 108 CG LYS A 9 2.500 14.161 -4.416 1.00 0.86 C ATOM 109 CD LYS A 9 3.600 13.578 -5.289 1.00 1.16 C ATOM 110 CE LYS A 9 4.494 14.667 -5.859 1.00 1.65 C ATOM 111 NZ LYS A 9 3.795 15.473 -6.899 1.00 2.42 N ATOM 0 H LYS A 9 3.195 16.105 -1.095 1.00 0.56 H new ATOM 0 HA LYS A 9 1.074 14.704 -2.267 1.00 0.54 H new ATOM 0 HB2 LYS A 9 3.293 15.751 -3.224 1.00 0.59 H new ATOM 0 HB3 LYS A 9 3.988 14.179 -2.878 1.00 0.59 H new ATOM 0 HG2 LYS A 9 1.752 13.395 -4.212 1.00 0.86 H new ATOM 0 HG3 LYS A 9 1.995 14.964 -4.953 1.00 0.86 H new ATOM 0 HD2 LYS A 9 4.201 12.882 -4.703 1.00 1.16 H new ATOM 0 HD3 LYS A 9 3.155 13.007 -6.104 1.00 1.16 H new ATOM 0 HE2 LYS A 9 4.826 15.323 -5.054 1.00 1.65 H new ATOM 0 HE3 LYS A 9 5.387 14.215 -6.290 1.00 1.65 H new ATOM 0 HZ1 LYS A 9 4.487 16.064 -7.403 1.00 2.42 H new ATOM 0 HZ2 LYS A 9 3.326 14.836 -7.574 1.00 2.42 H new ATOM 0 HZ3 LYS A 9 3.084 16.082 -6.446 1.00 2.42 H new ATOM 125 N ILE A 10 3.166 12.866 -0.520 1.00 0.42 N ATOM 126 CA ILE A 10 3.342 11.545 0.066 1.00 0.38 C ATOM 127 C ILE A 10 2.229 11.230 1.052 1.00 0.38 C ATOM 128 O ILE A 10 1.695 10.125 1.055 1.00 0.38 O ATOM 129 CB ILE A 10 4.694 11.389 0.783 1.00 0.40 C ATOM 130 CG1 ILE A 10 4.961 12.565 1.724 1.00 0.44 C ATOM 131 CG2 ILE A 10 5.819 11.247 -0.228 1.00 0.46 C ATOM 132 CD1 ILE A 10 6.149 12.349 2.634 1.00 0.95 C ATOM 0 H ILE A 10 3.850 13.560 -0.219 1.00 0.42 H new ATOM 0 HA ILE A 10 3.312 10.844 -0.768 1.00 0.38 H new ATOM 0 HB ILE A 10 4.652 10.482 1.386 1.00 0.40 H new ATOM 0 HG12 ILE A 10 5.126 13.465 1.131 1.00 0.44 H new ATOM 0 HG13 ILE A 10 4.074 12.742 2.333 1.00 0.44 H new ATOM 0 HG21 ILE A 10 6.768 11.138 0.297 1.00 0.46 H new ATOM 0 HG22 ILE A 10 5.643 10.367 -0.847 1.00 0.46 H new ATOM 0 HG23 ILE A 10 5.854 12.134 -0.860 1.00 0.46 H new ATOM 0 HD11 ILE A 10 6.281 13.222 3.274 1.00 0.95 H new ATOM 0 HD12 ILE A 10 5.978 11.468 3.252 1.00 0.95 H new ATOM 0 HD13 ILE A 10 7.046 12.202 2.033 1.00 0.95 H new ATOM 144 N ASP A 11 1.874 12.206 1.885 1.00 0.41 N ATOM 145 CA ASP A 11 0.810 12.016 2.866 1.00 0.46 C ATOM 146 C ASP A 11 -0.408 11.395 2.197 1.00 0.46 C ATOM 147 O ASP A 11 -1.113 10.571 2.787 1.00 0.50 O ATOM 148 CB ASP A 11 0.433 13.351 3.510 1.00 0.54 C ATOM 149 CG ASP A 11 0.080 13.206 4.979 1.00 0.75 C ATOM 150 OD1 ASP A 11 -1.082 12.860 5.277 1.00 1.48 O ATOM 151 OD2 ASP A 11 0.965 13.437 5.828 1.00 1.32 O ATOM 0 H ASP A 11 2.305 13.130 1.900 1.00 0.41 H new ATOM 0 HA ASP A 11 1.169 11.344 3.646 1.00 0.46 H new ATOM 0 HB2 ASP A 11 1.264 14.049 3.406 1.00 0.54 H new ATOM 0 HB3 ASP A 11 -0.414 13.782 2.976 1.00 0.54 H new ATOM 156 N ASP A 12 -0.627 11.779 0.947 1.00 0.46 N ATOM 157 CA ASP A 12 -1.740 11.251 0.174 1.00 0.51 C ATOM 158 C ASP A 12 -1.511 9.774 -0.109 1.00 0.48 C ATOM 159 O ASP A 12 -2.383 8.937 0.130 1.00 0.52 O ATOM 160 CB ASP A 12 -1.895 12.021 -1.140 1.00 0.56 C ATOM 161 CG ASP A 12 -2.873 13.172 -1.023 1.00 0.70 C ATOM 162 OD1 ASP A 12 -2.784 13.930 -0.033 1.00 1.28 O ATOM 163 OD2 ASP A 12 -3.730 13.317 -1.920 1.00 1.41 O ATOM 0 H ASP A 12 -0.048 12.454 0.448 1.00 0.46 H new ATOM 0 HA ASP A 12 -2.657 11.369 0.751 1.00 0.51 H new ATOM 0 HB2 ASP A 12 -0.923 12.404 -1.450 1.00 0.56 H new ATOM 0 HB3 ASP A 12 -2.233 11.339 -1.920 1.00 0.56 H new ATOM 168 N ILE A 13 -0.319 9.459 -0.601 1.00 0.43 N ATOM 169 CA ILE A 13 0.043 8.082 -0.898 1.00 0.44 C ATOM 170 C ILE A 13 -0.043 7.226 0.359 1.00 0.44 C ATOM 171 O ILE A 13 -0.631 6.150 0.345 1.00 0.47 O ATOM 172 CB ILE A 13 1.467 7.983 -1.481 1.00 0.42 C ATOM 173 CG1 ILE A 13 1.624 8.934 -2.671 1.00 0.44 C ATOM 174 CG2 ILE A 13 1.775 6.551 -1.895 1.00 0.48 C ATOM 175 CD1 ILE A 13 2.991 8.878 -3.315 1.00 0.47 C ATOM 0 H ILE A 13 0.413 10.140 -0.802 1.00 0.43 H new ATOM 0 HA ILE A 13 -0.664 7.716 -1.643 1.00 0.44 H new ATOM 0 HB ILE A 13 2.179 8.277 -0.709 1.00 0.42 H new ATOM 0 HG12 ILE A 13 0.869 8.694 -3.419 1.00 0.44 H new ATOM 0 HG13 ILE A 13 1.430 9.954 -2.338 1.00 0.44 H new ATOM 0 HG21 ILE A 13 2.784 6.500 -2.304 1.00 0.48 H new ATOM 0 HG22 ILE A 13 1.702 5.897 -1.026 1.00 0.48 H new ATOM 0 HG23 ILE A 13 1.060 6.229 -2.652 1.00 0.48 H new ATOM 0 HD11 ILE A 13 3.029 9.578 -4.150 1.00 0.47 H new ATOM 0 HD12 ILE A 13 3.750 9.148 -2.581 1.00 0.47 H new ATOM 0 HD13 ILE A 13 3.181 7.868 -3.679 1.00 0.47 H new ATOM 187 N ASP A 14 0.539 7.720 1.450 1.00 0.43 N ATOM 188 CA ASP A 14 0.524 7.005 2.723 1.00 0.47 C ATOM 189 C ASP A 14 -0.883 6.526 3.067 1.00 0.51 C ATOM 190 O ASP A 14 -1.059 5.472 3.679 1.00 0.55 O ATOM 191 CB ASP A 14 1.055 7.905 3.841 1.00 0.49 C ATOM 192 CG ASP A 14 1.929 7.153 4.826 1.00 0.61 C ATOM 193 OD1 ASP A 14 2.466 6.089 4.451 1.00 1.26 O ATOM 194 OD2 ASP A 14 2.078 7.628 5.970 1.00 1.29 O ATOM 0 H ASP A 14 1.028 8.615 1.477 1.00 0.43 H new ATOM 0 HA ASP A 14 1.170 6.132 2.627 1.00 0.47 H new ATOM 0 HB2 ASP A 14 1.627 8.723 3.404 1.00 0.49 H new ATOM 0 HB3 ASP A 14 0.215 8.352 4.373 1.00 0.49 H new ATOM 199 N HIS A 15 -1.881 7.302 2.660 1.00 0.51 N ATOM 200 CA HIS A 15 -3.270 6.950 2.917 1.00 0.56 C ATOM 201 C HIS A 15 -3.714 5.830 1.988 1.00 0.57 C ATOM 202 O HIS A 15 -4.592 5.036 2.325 1.00 0.62 O ATOM 203 CB HIS A 15 -4.170 8.170 2.728 1.00 0.59 C ATOM 204 CG HIS A 15 -5.476 8.070 3.453 1.00 0.73 C ATOM 205 ND1 HIS A 15 -5.951 6.891 3.988 1.00 0.87 N ATOM 206 CD2 HIS A 15 -6.409 9.012 3.735 1.00 0.98 C ATOM 207 CE1 HIS A 15 -7.119 7.111 4.566 1.00 1.04 C ATOM 208 NE2 HIS A 15 -7.419 8.389 4.426 1.00 1.11 N ATOM 0 H HIS A 15 -1.753 8.177 2.152 1.00 0.51 H new ATOM 0 HA HIS A 15 -3.353 6.606 3.948 1.00 0.56 H new ATOM 0 HB2 HIS A 15 -3.640 9.058 3.072 1.00 0.59 H new ATOM 0 HB3 HIS A 15 -4.364 8.306 1.664 1.00 0.59 H new ATOM 0 HD1 HIS A 15 -5.475 5.990 3.944 1.00 0.87 H new ATOM 0 HD2 HIS A 15 -6.366 10.057 3.466 1.00 0.98 H new ATOM 0 HE1 HIS A 15 -7.725 6.371 5.068 1.00 1.04 H new ATOM 217 N GLU A 16 -3.097 5.773 0.813 1.00 0.54 N ATOM 218 CA GLU A 16 -3.424 4.754 -0.171 1.00 0.57 C ATOM 219 C GLU A 16 -2.645 3.470 0.095 1.00 0.57 C ATOM 220 O GLU A 16 -3.150 2.370 -0.118 1.00 0.63 O ATOM 221 CB GLU A 16 -3.125 5.264 -1.581 1.00 0.56 C ATOM 222 CG GLU A 16 -3.575 6.696 -1.816 1.00 0.57 C ATOM 223 CD GLU A 16 -2.940 7.313 -3.046 1.00 1.30 C ATOM 224 OE1 GLU A 16 -1.808 6.915 -3.392 1.00 2.07 O ATOM 225 OE2 GLU A 16 -3.575 8.194 -3.664 1.00 1.99 O ATOM 0 H GLU A 16 -2.367 6.423 0.521 1.00 0.54 H new ATOM 0 HA GLU A 16 -4.488 4.534 -0.090 1.00 0.57 H new ATOM 0 HB2 GLU A 16 -2.053 5.194 -1.764 1.00 0.56 H new ATOM 0 HB3 GLU A 16 -3.616 4.614 -2.305 1.00 0.56 H new ATOM 0 HG2 GLU A 16 -4.660 6.719 -1.921 1.00 0.57 H new ATOM 0 HG3 GLU A 16 -3.327 7.299 -0.942 1.00 0.57 H new ATOM 232 N ILE A 17 -1.414 3.624 0.568 1.00 0.54 N ATOM 233 CA ILE A 17 -0.556 2.485 0.868 1.00 0.57 C ATOM 234 C ILE A 17 -1.158 1.636 1.983 1.00 0.59 C ATOM 235 O ILE A 17 -1.001 0.415 2.007 1.00 0.62 O ATOM 236 CB ILE A 17 0.854 2.941 1.294 1.00 0.59 C ATOM 237 CG1 ILE A 17 1.415 3.948 0.289 1.00 0.57 C ATOM 238 CG2 ILE A 17 1.783 1.743 1.425 1.00 0.66 C ATOM 239 CD1 ILE A 17 2.412 4.914 0.891 1.00 0.94 C ATOM 0 H ILE A 17 -0.986 4.531 0.753 1.00 0.54 H new ATOM 0 HA ILE A 17 -0.477 1.893 -0.044 1.00 0.57 H new ATOM 0 HB ILE A 17 0.782 3.428 2.266 1.00 0.59 H new ATOM 0 HG12 ILE A 17 1.894 3.406 -0.527 1.00 0.57 H new ATOM 0 HG13 ILE A 17 0.590 4.514 -0.145 1.00 0.57 H new ATOM 0 HG21 ILE A 17 2.774 2.082 1.726 1.00 0.66 H new ATOM 0 HG22 ILE A 17 1.390 1.058 2.176 1.00 0.66 H new ATOM 0 HG23 ILE A 17 1.851 1.229 0.466 1.00 0.66 H new ATOM 0 HD11 ILE A 17 2.767 5.598 0.120 1.00 0.94 H new ATOM 0 HD12 ILE A 17 1.932 5.483 1.688 1.00 0.94 H new ATOM 0 HD13 ILE A 17 3.256 4.358 1.300 1.00 0.94 H new ATOM 251 N ALA A 18 -1.849 2.298 2.905 1.00 0.58 N ATOM 252 CA ALA A 18 -2.479 1.618 4.030 1.00 0.61 C ATOM 253 C ALA A 18 -3.805 0.987 3.620 1.00 0.62 C ATOM 254 O ALA A 18 -4.149 -0.105 4.073 1.00 0.66 O ATOM 255 CB ALA A 18 -2.687 2.593 5.180 1.00 0.65 C ATOM 0 H ALA A 18 -1.987 3.309 2.895 1.00 0.58 H new ATOM 0 HA ALA A 18 -1.816 0.818 4.359 1.00 0.61 H new ATOM 0 HB1 ALA A 18 -3.158 2.075 6.015 1.00 0.65 H new ATOM 0 HB2 ALA A 18 -1.724 2.992 5.497 1.00 0.65 H new ATOM 0 HB3 ALA A 18 -3.328 3.411 4.852 1.00 0.65 H new ATOM 261 N ASP A 19 -4.548 1.679 2.760 1.00 0.61 N ATOM 262 CA ASP A 19 -5.838 1.184 2.290 1.00 0.64 C ATOM 263 C ASP A 19 -5.705 -0.222 1.711 1.00 0.61 C ATOM 264 O ASP A 19 -6.540 -1.091 1.965 1.00 0.66 O ATOM 265 CB ASP A 19 -6.418 2.129 1.237 1.00 0.66 C ATOM 266 CG ASP A 19 -7.297 3.204 1.847 1.00 1.09 C ATOM 267 OD1 ASP A 19 -6.846 3.867 2.804 1.00 1.79 O ATOM 268 OD2 ASP A 19 -8.436 3.383 1.366 1.00 1.64 O ATOM 0 H ASP A 19 -4.278 2.584 2.375 1.00 0.61 H new ATOM 0 HA ASP A 19 -6.515 1.143 3.143 1.00 0.64 H new ATOM 0 HB2 ASP A 19 -5.603 2.599 0.686 1.00 0.66 H new ATOM 0 HB3 ASP A 19 -6.999 1.553 0.517 1.00 0.66 H new ATOM 273 N LEU A 20 -4.650 -0.438 0.933 1.00 0.56 N ATOM 274 CA LEU A 20 -4.408 -1.738 0.319 1.00 0.54 C ATOM 275 C LEU A 20 -3.993 -2.766 1.366 1.00 0.52 C ATOM 276 O LEU A 20 -4.554 -3.860 1.431 1.00 0.50 O ATOM 277 CB LEU A 20 -3.329 -1.627 -0.760 1.00 0.58 C ATOM 278 CG LEU A 20 -3.461 -0.421 -1.691 1.00 0.58 C ATOM 279 CD1 LEU A 20 -2.500 -0.551 -2.862 1.00 0.63 C ATOM 280 CD2 LEU A 20 -4.891 -0.276 -2.191 1.00 0.62 C ATOM 0 H LEU A 20 -3.949 0.270 0.713 1.00 0.56 H new ATOM 0 HA LEU A 20 -5.338 -2.070 -0.142 1.00 0.54 H new ATOM 0 HB2 LEU A 20 -2.354 -1.585 -0.274 1.00 0.58 H new ATOM 0 HB3 LEU A 20 -3.346 -2.535 -1.363 1.00 0.58 H new ATOM 0 HG LEU A 20 -3.206 0.476 -1.127 1.00 0.58 H new ATOM 0 HD11 LEU A 20 -2.605 0.314 -3.516 1.00 0.63 H new ATOM 0 HD12 LEU A 20 -1.477 -0.602 -2.489 1.00 0.63 H new ATOM 0 HD13 LEU A 20 -2.728 -1.458 -3.421 1.00 0.63 H new ATOM 0 HD21 LEU A 20 -4.960 0.589 -2.851 1.00 0.62 H new ATOM 0 HD22 LEU A 20 -5.178 -1.174 -2.738 1.00 0.62 H new ATOM 0 HD23 LEU A 20 -5.561 -0.138 -1.342 1.00 0.62 H new ATOM 292 N GLN A 21 -3.005 -2.410 2.181 1.00 0.54 N ATOM 293 CA GLN A 21 -2.509 -3.302 3.223 1.00 0.55 C ATOM 294 C GLN A 21 -3.656 -3.885 4.045 1.00 0.53 C ATOM 295 O GLN A 21 -3.673 -5.077 4.347 1.00 0.53 O ATOM 296 CB GLN A 21 -1.535 -2.559 4.139 1.00 0.60 C ATOM 297 CG GLN A 21 -0.366 -3.411 4.605 1.00 0.87 C ATOM 298 CD GLN A 21 -0.712 -4.267 5.808 1.00 1.25 C ATOM 299 OE1 GLN A 21 -1.462 -3.846 6.689 1.00 1.99 O ATOM 300 NE2 GLN A 21 -0.165 -5.476 5.850 1.00 1.74 N ATOM 0 H GLN A 21 -2.531 -1.508 2.140 1.00 0.54 H new ATOM 0 HA GLN A 21 -1.986 -4.125 2.736 1.00 0.55 H new ATOM 0 HB2 GLN A 21 -1.150 -1.685 3.613 1.00 0.60 H new ATOM 0 HB3 GLN A 21 -2.077 -2.193 5.011 1.00 0.60 H new ATOM 0 HG2 GLN A 21 -0.041 -4.054 3.787 1.00 0.87 H new ATOM 0 HG3 GLN A 21 0.474 -2.763 4.854 1.00 0.87 H new ATOM 0 HE21 GLN A 21 0.451 -5.784 5.097 1.00 1.74 H new ATOM 0 HE22 GLN A 21 -0.361 -6.097 6.635 1.00 1.74 H new ATOM 309 N ALA A 22 -4.612 -3.035 4.398 1.00 0.55 N ATOM 310 CA ALA A 22 -5.765 -3.466 5.179 1.00 0.57 C ATOM 311 C ALA A 22 -6.593 -4.485 4.407 1.00 0.55 C ATOM 312 O ALA A 22 -7.097 -5.451 4.977 1.00 0.65 O ATOM 313 CB ALA A 22 -6.621 -2.269 5.563 1.00 0.65 C ATOM 0 H ALA A 22 -4.612 -2.044 4.156 1.00 0.55 H new ATOM 0 HA ALA A 22 -5.401 -3.943 6.089 1.00 0.57 H new ATOM 0 HB1 ALA A 22 -7.478 -2.607 6.146 1.00 0.65 H new ATOM 0 HB2 ALA A 22 -6.029 -1.574 6.158 1.00 0.65 H new ATOM 0 HB3 ALA A 22 -6.971 -1.767 4.661 1.00 0.65 H new ATOM 319 N LYS A 23 -6.724 -4.262 3.105 1.00 0.53 N ATOM 320 CA LYS A 23 -7.487 -5.159 2.247 1.00 0.55 C ATOM 321 C LYS A 23 -6.895 -6.566 2.266 1.00 0.50 C ATOM 322 O LYS A 23 -7.621 -7.556 2.192 1.00 0.57 O ATOM 323 CB LYS A 23 -7.517 -4.624 0.813 1.00 0.61 C ATOM 324 CG LYS A 23 -8.815 -3.917 0.454 1.00 0.70 C ATOM 325 CD LYS A 23 -9.045 -2.691 1.328 1.00 0.79 C ATOM 326 CE LYS A 23 -9.169 -1.426 0.494 1.00 0.96 C ATOM 327 NZ LYS A 23 -10.207 -0.505 1.032 1.00 1.53 N ATOM 0 H LYS A 23 -6.311 -3.466 2.620 1.00 0.53 H new ATOM 0 HA LYS A 23 -8.506 -5.209 2.630 1.00 0.55 H new ATOM 0 HB2 LYS A 23 -6.686 -3.932 0.675 1.00 0.61 H new ATOM 0 HB3 LYS A 23 -7.361 -5.452 0.122 1.00 0.61 H new ATOM 0 HG2 LYS A 23 -8.790 -3.618 -0.594 1.00 0.70 H new ATOM 0 HG3 LYS A 23 -9.650 -4.608 0.568 1.00 0.70 H new ATOM 0 HD2 LYS A 23 -9.951 -2.829 1.918 1.00 0.79 H new ATOM 0 HD3 LYS A 23 -8.219 -2.585 2.031 1.00 0.79 H new ATOM 0 HE2 LYS A 23 -8.208 -0.913 0.467 1.00 0.96 H new ATOM 0 HE3 LYS A 23 -9.417 -1.692 -0.534 1.00 0.96 H new ATOM 0 HZ1 LYS A 23 -10.260 0.345 0.435 1.00 1.53 H new ATOM 0 HZ2 LYS A 23 -11.130 -0.985 1.034 1.00 1.53 H new ATOM 0 HZ3 LYS A 23 -9.958 -0.231 2.004 1.00 1.53 H new ATOM 341 N ARG A 24 -5.572 -6.644 2.363 1.00 0.46 N ATOM 342 CA ARG A 24 -4.884 -7.930 2.389 1.00 0.50 C ATOM 343 C ARG A 24 -5.084 -8.635 3.728 1.00 0.52 C ATOM 344 O ARG A 24 -5.336 -9.838 3.775 1.00 0.60 O ATOM 345 CB ARG A 24 -3.390 -7.735 2.124 1.00 0.61 C ATOM 346 CG ARG A 24 -2.956 -8.181 0.739 1.00 1.15 C ATOM 347 CD ARG A 24 -1.495 -8.605 0.722 1.00 1.41 C ATOM 348 NE ARG A 24 -1.337 -10.008 0.341 1.00 1.70 N ATOM 349 CZ ARG A 24 -0.380 -10.806 0.813 1.00 2.38 C ATOM 350 NH1 ARG A 24 0.520 -10.346 1.674 1.00 2.89 N ATOM 351 NH2 ARG A 24 -0.321 -12.070 0.416 1.00 2.74 N ATOM 0 H ARG A 24 -4.956 -5.834 2.425 1.00 0.46 H new ATOM 0 HA ARG A 24 -5.311 -8.555 1.605 1.00 0.50 H new ATOM 0 HB2 ARG A 24 -3.141 -6.682 2.252 1.00 0.61 H new ATOM 0 HB3 ARG A 24 -2.821 -8.290 2.870 1.00 0.61 H new ATOM 0 HG2 ARG A 24 -3.581 -9.012 0.411 1.00 1.15 H new ATOM 0 HG3 ARG A 24 -3.108 -7.368 0.029 1.00 1.15 H new ATOM 0 HD2 ARG A 24 -0.943 -7.975 0.024 1.00 1.41 H new ATOM 0 HD3 ARG A 24 -1.060 -8.446 1.709 1.00 1.41 H new ATOM 0 HE ARG A 24 -2.000 -10.400 -0.327 1.00 1.70 H new ATOM 0 HH11 ARG A 24 0.483 -9.374 1.980 1.00 2.89 H new ATOM 0 HH12 ARG A 24 1.249 -10.965 2.029 1.00 2.89 H new ATOM 0 HH21 ARG A 24 -1.007 -12.428 -0.249 1.00 2.74 H new ATOM 0 HH22 ARG A 24 0.410 -12.684 0.775 1.00 2.74 H new ATOM 365 N THR A 25 -4.962 -7.878 4.813 1.00 0.53 N ATOM 366 CA THR A 25 -5.118 -8.431 6.154 1.00 0.60 C ATOM 367 C THR A 25 -6.527 -8.965 6.370 1.00 0.59 C ATOM 368 O THR A 25 -6.713 -10.134 6.707 1.00 0.67 O ATOM 369 CB THR A 25 -4.808 -7.367 7.204 1.00 0.66 C ATOM 370 OG1 THR A 25 -3.979 -6.353 6.664 1.00 0.77 O ATOM 371 CG2 THR A 25 -4.119 -7.921 8.432 1.00 0.81 C ATOM 0 H THR A 25 -4.755 -6.879 4.790 1.00 0.53 H new ATOM 0 HA THR A 25 -4.416 -9.258 6.256 1.00 0.60 H new ATOM 0 HB THR A 25 -5.777 -6.965 7.502 1.00 0.66 H new ATOM 0 HG1 THR A 25 -3.794 -5.681 7.353 1.00 0.77 H new ATOM 0 HG21 THR A 25 -3.928 -7.113 9.138 1.00 0.81 H new ATOM 0 HG22 THR A 25 -4.758 -8.669 8.902 1.00 0.81 H new ATOM 0 HG23 THR A 25 -3.174 -8.381 8.143 1.00 0.81 H new ATOM 379 N ARG A 26 -7.522 -8.103 6.179 1.00 0.56 N ATOM 380 CA ARG A 26 -8.915 -8.497 6.360 1.00 0.61 C ATOM 381 C ARG A 26 -9.210 -9.781 5.594 1.00 0.58 C ATOM 382 O ARG A 26 -9.896 -10.675 6.094 1.00 0.65 O ATOM 383 CB ARG A 26 -9.857 -7.376 5.911 1.00 0.64 C ATOM 384 CG ARG A 26 -9.509 -6.784 4.553 1.00 0.59 C ATOM 385 CD ARG A 26 -10.664 -6.918 3.573 1.00 1.02 C ATOM 386 NE ARG A 26 -11.828 -6.138 3.989 1.00 1.36 N ATOM 387 CZ ARG A 26 -12.825 -5.801 3.173 1.00 1.88 C ATOM 388 NH1 ARG A 26 -12.804 -6.172 1.899 1.00 2.38 N ATOM 389 NH2 ARG A 26 -13.845 -5.090 3.634 1.00 2.54 N ATOM 0 H ARG A 26 -7.390 -7.131 5.900 1.00 0.56 H new ATOM 0 HA ARG A 26 -9.084 -8.681 7.421 1.00 0.61 H new ATOM 0 HB2 ARG A 26 -10.876 -7.763 5.877 1.00 0.64 H new ATOM 0 HB3 ARG A 26 -9.842 -6.582 6.657 1.00 0.64 H new ATOM 0 HG2 ARG A 26 -9.250 -5.732 4.669 1.00 0.59 H new ATOM 0 HG3 ARG A 26 -8.629 -7.286 4.151 1.00 0.59 H new ATOM 0 HD2 ARG A 26 -10.341 -6.589 2.585 1.00 1.02 H new ATOM 0 HD3 ARG A 26 -10.944 -7.968 3.484 1.00 1.02 H new ATOM 0 HE ARG A 26 -11.880 -5.834 4.961 1.00 1.36 H new ATOM 0 HH11 ARG A 26 -12.021 -6.718 1.540 1.00 2.38 H new ATOM 0 HH12 ARG A 26 -13.571 -5.911 1.279 1.00 2.38 H new ATOM 0 HH21 ARG A 26 -13.865 -4.802 4.612 1.00 2.54 H new ATOM 0 HH22 ARG A 26 -14.609 -4.831 3.010 1.00 2.54 H new ATOM 403 N LEU A 27 -8.665 -9.877 4.386 1.00 0.51 N ATOM 404 CA LEU A 27 -8.855 -11.064 3.568 1.00 0.51 C ATOM 405 C LEU A 27 -8.203 -12.264 4.240 1.00 0.53 C ATOM 406 O LEU A 27 -8.739 -13.373 4.209 1.00 0.59 O ATOM 407 CB LEU A 27 -8.265 -10.857 2.171 1.00 0.47 C ATOM 408 CG LEU A 27 -9.277 -10.458 1.094 1.00 0.66 C ATOM 409 CD1 LEU A 27 -9.762 -9.034 1.319 1.00 1.31 C ATOM 410 CD2 LEU A 27 -8.664 -10.603 -0.290 1.00 1.35 C ATOM 0 H LEU A 27 -8.092 -9.151 3.956 1.00 0.51 H new ATOM 0 HA LEU A 27 -9.924 -11.249 3.465 1.00 0.51 H new ATOM 0 HB2 LEU A 27 -7.496 -10.087 2.228 1.00 0.47 H new ATOM 0 HB3 LEU A 27 -7.772 -11.778 1.861 1.00 0.47 H new ATOM 0 HG LEU A 27 -10.135 -11.126 1.162 1.00 0.66 H new ATOM 0 HD11 LEU A 27 -10.481 -8.768 0.544 1.00 1.31 H new ATOM 0 HD12 LEU A 27 -10.239 -8.962 2.296 1.00 1.31 H new ATOM 0 HD13 LEU A 27 -8.914 -8.350 1.278 1.00 1.31 H new ATOM 0 HD21 LEU A 27 -9.396 -10.315 -1.044 1.00 1.35 H new ATOM 0 HD22 LEU A 27 -7.789 -9.958 -0.370 1.00 1.35 H new ATOM 0 HD23 LEU A 27 -8.367 -11.639 -0.450 1.00 1.35 H new ATOM 422 N VAL A 28 -7.050 -12.032 4.864 1.00 0.54 N ATOM 423 CA VAL A 28 -6.338 -13.095 5.559 1.00 0.62 C ATOM 424 C VAL A 28 -7.188 -13.634 6.698 1.00 0.72 C ATOM 425 O VAL A 28 -7.313 -14.846 6.877 1.00 0.79 O ATOM 426 CB VAL A 28 -4.993 -12.607 6.123 1.00 0.65 C ATOM 427 CG1 VAL A 28 -4.225 -13.758 6.760 1.00 0.77 C ATOM 428 CG2 VAL A 28 -4.162 -11.941 5.033 1.00 0.62 C ATOM 0 H VAL A 28 -6.593 -11.121 4.901 1.00 0.54 H new ATOM 0 HA VAL A 28 -6.140 -13.883 4.832 1.00 0.62 H new ATOM 0 HB VAL A 28 -5.197 -11.866 6.896 1.00 0.65 H new ATOM 0 HG11 VAL A 28 -3.277 -13.390 7.152 1.00 0.77 H new ATOM 0 HG12 VAL A 28 -4.814 -14.182 7.573 1.00 0.77 H new ATOM 0 HG13 VAL A 28 -4.034 -14.527 6.011 1.00 0.77 H new ATOM 0 HG21 VAL A 28 -3.215 -11.603 5.453 1.00 0.62 H new ATOM 0 HG22 VAL A 28 -3.970 -12.657 4.234 1.00 0.62 H new ATOM 0 HG23 VAL A 28 -4.706 -11.086 4.632 1.00 0.62 H new ATOM 438 N GLN A 29 -7.790 -12.721 7.454 1.00 0.76 N ATOM 439 CA GLN A 29 -8.652 -13.101 8.566 1.00 0.87 C ATOM 440 C GLN A 29 -9.703 -14.093 8.086 1.00 0.87 C ATOM 441 O GLN A 29 -10.134 -14.973 8.830 1.00 0.97 O ATOM 442 CB GLN A 29 -9.326 -11.866 9.168 1.00 0.95 C ATOM 443 CG GLN A 29 -8.613 -11.323 10.396 1.00 1.50 C ATOM 444 CD GLN A 29 -7.490 -10.367 10.044 1.00 1.68 C ATOM 445 OE1 GLN A 29 -7.534 -9.692 9.016 1.00 2.23 O ATOM 446 NE2 GLN A 29 -6.475 -10.306 10.898 1.00 2.15 N ATOM 0 H GLN A 29 -7.697 -11.715 7.317 1.00 0.76 H new ATOM 0 HA GLN A 29 -8.044 -13.571 9.339 1.00 0.87 H new ATOM 0 HB2 GLN A 29 -9.375 -11.084 8.411 1.00 0.95 H new ATOM 0 HB3 GLN A 29 -10.353 -12.116 9.435 1.00 0.95 H new ATOM 0 HG2 GLN A 29 -9.334 -10.811 11.033 1.00 1.50 H new ATOM 0 HG3 GLN A 29 -8.210 -12.154 10.974 1.00 1.50 H new ATOM 0 HE21 GLN A 29 -6.480 -10.884 11.738 1.00 2.15 H new ATOM 0 HE22 GLN A 29 -5.690 -9.681 10.714 1.00 2.15 H new ATOM 455 N GLN A 30 -10.096 -13.946 6.823 1.00 0.83 N ATOM 456 CA GLN A 30 -11.080 -14.833 6.221 1.00 0.93 C ATOM 457 C GLN A 30 -10.472 -16.210 5.971 1.00 0.96 C ATOM 458 O GLN A 30 -11.168 -17.224 6.019 1.00 1.09 O ATOM 459 CB GLN A 30 -11.596 -14.243 4.908 1.00 0.98 C ATOM 460 CG GLN A 30 -12.951 -14.790 4.486 1.00 1.46 C ATOM 461 CD GLN A 30 -13.844 -13.726 3.879 1.00 1.70 C ATOM 462 OE1 GLN A 30 -14.577 -13.036 4.587 1.00 2.18 O ATOM 463 NE2 GLN A 30 -13.788 -13.589 2.559 1.00 2.29 N ATOM 0 H GLN A 30 -9.746 -13.219 6.199 1.00 0.83 H new ATOM 0 HA GLN A 30 -11.917 -14.938 6.912 1.00 0.93 H new ATOM 0 HB2 GLN A 30 -11.666 -13.160 5.009 1.00 0.98 H new ATOM 0 HB3 GLN A 30 -10.871 -14.444 4.119 1.00 0.98 H new ATOM 0 HG2 GLN A 30 -12.806 -15.593 3.764 1.00 1.46 H new ATOM 0 HG3 GLN A 30 -13.449 -15.226 5.352 1.00 1.46 H new ATOM 0 HE21 GLN A 30 -13.166 -14.183 2.011 1.00 2.29 H new ATOM 0 HE22 GLN A 30 -14.367 -12.890 2.094 1.00 2.29 H new ATOM 472 N HIS A 31 -9.164 -16.241 5.713 1.00 0.87 N ATOM 473 CA HIS A 31 -8.467 -17.502 5.467 1.00 0.98 C ATOM 474 C HIS A 31 -7.070 -17.486 6.087 1.00 1.03 C ATOM 475 O HIS A 31 -6.064 -17.484 5.378 1.00 1.06 O ATOM 476 CB HIS A 31 -8.373 -17.788 3.966 1.00 0.99 C ATOM 477 CG HIS A 31 -7.538 -16.802 3.214 1.00 1.40 C ATOM 478 ND1 HIS A 31 -7.888 -15.482 3.072 1.00 1.72 N ATOM 479 CD2 HIS A 31 -6.364 -16.950 2.553 1.00 2.18 C ATOM 480 CE1 HIS A 31 -6.974 -14.859 2.355 1.00 2.19 C ATOM 481 NE2 HIS A 31 -6.034 -15.726 2.029 1.00 2.47 N ATOM 0 H HIS A 31 -8.570 -15.413 5.669 1.00 0.87 H new ATOM 0 HA HIS A 31 -9.045 -18.297 5.938 1.00 0.98 H new ATOM 0 HB2 HIS A 31 -7.959 -18.786 3.821 1.00 0.99 H new ATOM 0 HB3 HIS A 31 -9.378 -17.796 3.544 1.00 0.99 H new ATOM 0 HD1 HIS A 31 -8.726 -15.050 3.461 1.00 1.72 H new ATOM 0 HD2 HIS A 31 -5.794 -17.862 2.457 1.00 2.18 H new ATOM 0 HE1 HIS A 31 -6.991 -13.815 2.080 1.00 2.19 H new ATOM 490 N PRO A 32 -6.990 -17.476 7.429 1.00 1.13 N ATOM 491 CA PRO A 32 -5.711 -17.461 8.143 1.00 1.29 C ATOM 492 C PRO A 32 -5.000 -18.808 8.087 1.00 1.57 C ATOM 493 O PRO A 32 -3.772 -18.878 8.146 1.00 2.23 O ATOM 494 CB PRO A 32 -6.115 -17.129 9.580 1.00 1.44 C ATOM 495 CG PRO A 32 -7.505 -17.647 9.708 1.00 1.39 C ATOM 496 CD PRO A 32 -8.140 -17.478 8.354 1.00 1.19 C ATOM 0 HA PRO A 32 -5.008 -16.751 7.707 1.00 1.29 H new ATOM 0 HB2 PRO A 32 -5.447 -17.603 10.299 1.00 1.44 H new ATOM 0 HB3 PRO A 32 -6.073 -16.056 9.766 1.00 1.44 H new ATOM 0 HG2 PRO A 32 -7.504 -18.694 10.010 1.00 1.39 H new ATOM 0 HG3 PRO A 32 -8.058 -17.096 10.469 1.00 1.39 H new ATOM 0 HD2 PRO A 32 -8.832 -18.290 8.132 1.00 1.19 H new ATOM 0 HD3 PRO A 32 -8.707 -16.549 8.290 1.00 1.19 H new ATOM 504 N ARG A 33 -5.780 -19.878 7.972 1.00 1.74 N ATOM 505 CA ARG A 33 -5.226 -21.226 7.907 1.00 2.03 C ATOM 506 C ARG A 33 -5.574 -21.894 6.581 1.00 3.00 C ATOM 507 O ARG A 33 -4.727 -22.527 5.953 1.00 3.75 O ATOM 508 CB ARG A 33 -5.749 -22.071 9.070 1.00 1.88 C ATOM 509 CG ARG A 33 -5.348 -21.539 10.437 1.00 2.44 C ATOM 510 CD ARG A 33 -6.564 -21.180 11.278 1.00 3.16 C ATOM 511 NE ARG A 33 -6.192 -20.498 12.515 1.00 3.92 N ATOM 512 CZ ARG A 33 -7.037 -19.772 13.244 1.00 4.70 C ATOM 513 NH1 ARG A 33 -8.301 -19.632 12.865 1.00 4.92 N ATOM 514 NH2 ARG A 33 -6.616 -19.184 14.356 1.00 5.58 N ATOM 0 H ARG A 33 -6.798 -19.838 7.922 1.00 1.74 H new ATOM 0 HA ARG A 33 -4.141 -21.150 7.981 1.00 2.03 H new ATOM 0 HB2 ARG A 33 -6.836 -22.119 9.013 1.00 1.88 H new ATOM 0 HB3 ARG A 33 -5.378 -23.090 8.963 1.00 1.88 H new ATOM 0 HG2 ARG A 33 -4.752 -22.288 10.959 1.00 2.44 H new ATOM 0 HG3 ARG A 33 -4.717 -20.659 10.315 1.00 2.44 H new ATOM 0 HD2 ARG A 33 -7.230 -20.541 10.698 1.00 3.16 H new ATOM 0 HD3 ARG A 33 -7.120 -22.087 11.517 1.00 3.16 H new ATOM 0 HE ARG A 33 -5.229 -20.583 12.839 1.00 3.92 H new ATOM 0 HH11 ARG A 33 -8.630 -20.082 12.011 1.00 4.92 H new ATOM 0 HH12 ARG A 33 -8.943 -19.074 13.428 1.00 4.92 H new ATOM 0 HH21 ARG A 33 -5.645 -19.288 14.652 1.00 5.58 H new ATOM 0 HH22 ARG A 33 -7.263 -18.628 14.915 1.00 5.58 H new TER 528 ARG A 33 ATOM 529 N CYS B 1 -16.846 -23.365 -4.066 1.00 5.15 N ATOM 530 CA CYS B 1 -15.546 -23.988 -3.845 1.00 4.44 C ATOM 531 C CYS B 1 -14.481 -22.936 -3.553 1.00 3.68 C ATOM 532 O CYS B 1 -13.903 -22.352 -4.470 1.00 4.02 O ATOM 533 CB CYS B 1 -15.141 -24.815 -5.067 1.00 4.47 C ATOM 534 SG CYS B 1 -13.810 -25.996 -4.749 1.00 5.51 S ATOM 0 H1 CYS B 1 -17.554 -24.100 -4.263 1.00 5.15 H new ATOM 0 H2 CYS B 1 -17.125 -22.834 -3.217 1.00 5.15 H new ATOM 0 H3 CYS B 1 -16.787 -22.716 -4.876 1.00 5.15 H new ATOM 0 HA CYS B 1 -15.628 -24.646 -2.980 1.00 4.44 H new ATOM 0 HB2 CYS B 1 -16.014 -25.357 -5.431 1.00 4.47 H new ATOM 0 HB3 CYS B 1 -14.830 -24.139 -5.863 1.00 4.47 H new ATOM 0 HG CYS B 1 -13.539 -26.649 -5.840 1.00 5.51 H new ATOM 540 N GLY B 2 -14.226 -22.700 -2.271 1.00 3.11 N ATOM 541 CA GLY B 2 -13.231 -21.719 -1.880 1.00 2.73 C ATOM 542 C GLY B 2 -11.819 -22.266 -1.947 1.00 2.20 C ATOM 543 O GLY B 2 -11.131 -22.351 -0.930 1.00 2.81 O ATOM 0 H GLY B 2 -14.691 -23.171 -1.495 1.00 3.11 H new ATOM 0 HA2 GLY B 2 -13.311 -20.847 -2.529 1.00 2.73 H new ATOM 0 HA3 GLY B 2 -13.438 -21.381 -0.865 1.00 2.73 H new ATOM 547 N GLY B 3 -11.387 -22.638 -3.147 1.00 1.66 N ATOM 548 CA GLY B 3 -10.051 -23.175 -3.321 1.00 1.45 C ATOM 549 C GLY B 3 -8.988 -22.095 -3.330 1.00 1.30 C ATOM 550 O GLY B 3 -8.402 -21.800 -4.372 1.00 1.48 O ATOM 0 H GLY B 3 -11.939 -22.577 -4.003 1.00 1.66 H new ATOM 0 HA2 GLY B 3 -9.840 -23.882 -2.518 1.00 1.45 H new ATOM 0 HA3 GLY B 3 -10.006 -23.732 -4.257 1.00 1.45 H new ATOM 554 N ASP B 4 -8.737 -21.504 -2.165 1.00 1.06 N ATOM 555 CA ASP B 4 -7.736 -20.449 -2.041 1.00 1.10 C ATOM 556 C ASP B 4 -8.097 -19.236 -2.892 1.00 1.01 C ATOM 557 O ASP B 4 -7.248 -18.391 -3.176 1.00 1.22 O ATOM 558 CB ASP B 4 -6.367 -20.967 -2.462 1.00 1.23 C ATOM 559 CG ASP B 4 -5.909 -22.146 -1.625 1.00 1.84 C ATOM 560 OD1 ASP B 4 -6.322 -23.285 -1.928 1.00 2.59 O ATOM 561 OD2 ASP B 4 -5.137 -21.930 -0.667 1.00 2.34 O ATOM 0 H ASP B 4 -9.213 -21.738 -1.294 1.00 1.06 H new ATOM 0 HA ASP B 4 -7.709 -20.145 -0.995 1.00 1.10 H new ATOM 0 HB2 ASP B 4 -6.400 -21.262 -3.511 1.00 1.23 H new ATOM 0 HB3 ASP B 4 -5.637 -20.162 -2.380 1.00 1.23 H new ATOM 566 N ASN B 5 -9.359 -19.151 -3.290 1.00 0.92 N ATOM 567 CA ASN B 5 -9.832 -18.035 -4.102 1.00 1.02 C ATOM 568 C ASN B 5 -9.527 -16.715 -3.408 1.00 0.99 C ATOM 569 O ASN B 5 -9.376 -15.677 -4.052 1.00 1.39 O ATOM 570 CB ASN B 5 -11.335 -18.159 -4.357 1.00 1.19 C ATOM 571 CG ASN B 5 -11.803 -17.276 -5.498 1.00 1.61 C ATOM 572 OD1 ASN B 5 -12.663 -16.414 -5.318 1.00 2.22 O ATOM 573 ND2 ASN B 5 -11.236 -17.486 -6.680 1.00 1.86 N ATOM 0 H ASN B 5 -10.075 -19.841 -3.064 1.00 0.92 H new ATOM 0 HA ASN B 5 -9.313 -18.059 -5.060 1.00 1.02 H new ATOM 0 HB2 ASN B 5 -11.578 -19.198 -4.582 1.00 1.19 H new ATOM 0 HB3 ASN B 5 -11.878 -17.894 -3.450 1.00 1.19 H new ATOM 0 HD21 ASN B 5 -11.509 -16.922 -7.484 1.00 1.86 H new ATOM 0 HD22 ASN B 5 -10.527 -18.212 -6.784 1.00 1.86 H new ATOM 580 N ILE B 6 -9.427 -16.775 -2.086 1.00 0.68 N ATOM 581 CA ILE B 6 -9.128 -15.603 -1.281 1.00 0.63 C ATOM 582 C ILE B 6 -7.628 -15.340 -1.263 1.00 0.56 C ATOM 583 O ILE B 6 -7.178 -14.209 -1.448 1.00 0.53 O ATOM 584 CB ILE B 6 -9.622 -15.788 0.164 1.00 0.67 C ATOM 585 CG1 ILE B 6 -11.042 -16.359 0.177 1.00 0.87 C ATOM 586 CG2 ILE B 6 -9.570 -14.470 0.914 1.00 0.85 C ATOM 587 CD1 ILE B 6 -11.551 -16.682 1.565 1.00 1.57 C ATOM 0 H ILE B 6 -9.550 -17.632 -1.547 1.00 0.68 H new ATOM 0 HA ILE B 6 -9.644 -14.753 -1.728 1.00 0.63 H new ATOM 0 HB ILE B 6 -8.963 -16.497 0.666 1.00 0.67 H new ATOM 0 HG12 ILE B 6 -11.717 -15.643 -0.291 1.00 0.87 H new ATOM 0 HG13 ILE B 6 -11.067 -17.264 -0.430 1.00 0.87 H new ATOM 0 HG21 ILE B 6 -9.923 -14.618 1.935 1.00 0.85 H new ATOM 0 HG22 ILE B 6 -8.544 -14.103 0.934 1.00 0.85 H new ATOM 0 HG23 ILE B 6 -10.206 -13.741 0.412 1.00 0.85 H new ATOM 0 HD11 ILE B 6 -12.563 -17.082 1.498 1.00 1.57 H new ATOM 0 HD12 ILE B 6 -10.898 -17.422 2.029 1.00 1.57 H new ATOM 0 HD13 ILE B 6 -11.559 -15.775 2.170 1.00 1.57 H new ATOM 599 N GLU B 7 -6.862 -16.402 -1.044 1.00 0.60 N ATOM 600 CA GLU B 7 -5.406 -16.312 -1.005 1.00 0.59 C ATOM 601 C GLU B 7 -4.864 -15.729 -2.304 1.00 0.57 C ATOM 602 O GLU B 7 -3.830 -15.061 -2.313 1.00 0.53 O ATOM 603 CB GLU B 7 -4.796 -17.693 -0.758 1.00 0.75 C ATOM 604 CG GLU B 7 -3.540 -17.661 0.098 1.00 0.78 C ATOM 605 CD GLU B 7 -2.341 -18.276 -0.597 1.00 1.29 C ATOM 606 OE1 GLU B 7 -1.908 -17.723 -1.631 1.00 1.93 O ATOM 607 OE2 GLU B 7 -1.837 -19.309 -0.110 1.00 1.94 O ATOM 0 H GLU B 7 -7.227 -17.342 -0.890 1.00 0.60 H new ATOM 0 HA GLU B 7 -5.129 -15.648 -0.186 1.00 0.59 H new ATOM 0 HB2 GLU B 7 -5.539 -18.327 -0.274 1.00 0.75 H new ATOM 0 HB3 GLU B 7 -4.560 -18.153 -1.717 1.00 0.75 H new ATOM 0 HG2 GLU B 7 -3.311 -16.628 0.362 1.00 0.78 H new ATOM 0 HG3 GLU B 7 -3.727 -18.194 1.030 1.00 0.78 H new ATOM 614 N GLN B 8 -5.571 -15.979 -3.399 1.00 0.64 N ATOM 615 CA GLN B 8 -5.164 -15.471 -4.702 1.00 0.69 C ATOM 616 C GLN B 8 -5.549 -14.004 -4.842 1.00 0.63 C ATOM 617 O GLN B 8 -4.797 -13.199 -5.393 1.00 0.67 O ATOM 618 CB GLN B 8 -5.809 -16.292 -5.818 1.00 0.82 C ATOM 619 CG GLN B 8 -5.312 -15.928 -7.207 1.00 1.18 C ATOM 620 CD GLN B 8 -4.997 -17.148 -8.052 1.00 1.54 C ATOM 621 OE1 GLN B 8 -5.534 -17.314 -9.148 1.00 2.16 O ATOM 622 NE2 GLN B 8 -4.122 -18.010 -7.545 1.00 2.22 N ATOM 0 H GLN B 8 -6.429 -16.531 -3.410 1.00 0.64 H new ATOM 0 HA GLN B 8 -4.081 -15.559 -4.784 1.00 0.69 H new ATOM 0 HB2 GLN B 8 -5.616 -17.349 -5.638 1.00 0.82 H new ATOM 0 HB3 GLN B 8 -6.890 -16.155 -5.780 1.00 0.82 H new ATOM 0 HG2 GLN B 8 -6.067 -15.325 -7.713 1.00 1.18 H new ATOM 0 HG3 GLN B 8 -4.418 -15.311 -7.119 1.00 1.18 H new ATOM 0 HE21 GLN B 8 -3.701 -17.833 -6.633 1.00 2.22 H new ATOM 0 HE22 GLN B 8 -3.871 -18.849 -8.068 1.00 2.22 H new ATOM 631 N LYS B 9 -6.727 -13.664 -4.330 1.00 0.57 N ATOM 632 CA LYS B 9 -7.220 -12.295 -4.388 1.00 0.58 C ATOM 633 C LYS B 9 -6.282 -11.352 -3.644 1.00 0.50 C ATOM 634 O LYS B 9 -6.054 -10.221 -4.075 1.00 0.59 O ATOM 635 CB LYS B 9 -8.629 -12.211 -3.795 1.00 0.64 C ATOM 636 CG LYS B 9 -9.590 -11.374 -4.624 1.00 1.01 C ATOM 637 CD LYS B 9 -10.866 -11.065 -3.857 1.00 1.26 C ATOM 638 CE LYS B 9 -10.857 -9.650 -3.299 1.00 1.86 C ATOM 639 NZ LYS B 9 -12.039 -8.866 -3.755 1.00 2.37 N ATOM 0 H LYS B 9 -7.358 -14.320 -3.870 1.00 0.57 H new ATOM 0 HA LYS B 9 -7.259 -11.991 -5.434 1.00 0.58 H new ATOM 0 HB2 LYS B 9 -9.032 -13.219 -3.694 1.00 0.64 H new ATOM 0 HB3 LYS B 9 -8.567 -11.790 -2.791 1.00 0.64 H new ATOM 0 HG2 LYS B 9 -9.105 -10.442 -4.915 1.00 1.01 H new ATOM 0 HG3 LYS B 9 -9.837 -11.905 -5.543 1.00 1.01 H new ATOM 0 HD2 LYS B 9 -11.726 -11.192 -4.515 1.00 1.26 H new ATOM 0 HD3 LYS B 9 -10.982 -11.778 -3.040 1.00 1.26 H new ATOM 0 HE2 LYS B 9 -10.846 -9.689 -2.210 1.00 1.86 H new ATOM 0 HE3 LYS B 9 -9.943 -9.143 -3.609 1.00 1.86 H new ATOM 0 HZ1 LYS B 9 -11.996 -7.908 -3.353 1.00 2.37 H new ATOM 0 HZ2 LYS B 9 -12.037 -8.807 -4.793 1.00 2.37 H new ATOM 0 HZ3 LYS B 9 -12.911 -9.336 -3.437 1.00 2.37 H new ATOM 653 N ILE B 10 -5.739 -11.822 -2.526 1.00 0.41 N ATOM 654 CA ILE B 10 -4.827 -11.010 -1.733 1.00 0.38 C ATOM 655 C ILE B 10 -3.494 -10.824 -2.445 1.00 0.36 C ATOM 656 O ILE B 10 -2.946 -9.725 -2.465 1.00 0.37 O ATOM 657 CB ILE B 10 -4.561 -11.610 -0.343 1.00 0.42 C ATOM 658 CG1 ILE B 10 -4.201 -13.093 -0.439 1.00 0.41 C ATOM 659 CG2 ILE B 10 -5.764 -11.407 0.562 1.00 0.54 C ATOM 660 CD1 ILE B 10 -3.685 -13.668 0.863 1.00 1.11 C ATOM 0 H ILE B 10 -5.914 -12.755 -2.152 1.00 0.41 H new ATOM 0 HA ILE B 10 -5.320 -10.046 -1.607 1.00 0.38 H new ATOM 0 HB ILE B 10 -3.708 -11.089 0.091 1.00 0.42 H new ATOM 0 HG12 ILE B 10 -5.081 -13.654 -0.753 1.00 0.41 H new ATOM 0 HG13 ILE B 10 -3.445 -13.227 -1.213 1.00 0.41 H new ATOM 0 HG21 ILE B 10 -5.559 -11.838 1.542 1.00 0.54 H new ATOM 0 HG22 ILE B 10 -5.963 -10.341 0.669 1.00 0.54 H new ATOM 0 HG23 ILE B 10 -6.634 -11.897 0.126 1.00 0.54 H new ATOM 0 HD11 ILE B 10 -3.448 -14.723 0.726 1.00 1.11 H new ATOM 0 HD12 ILE B 10 -2.787 -13.131 1.167 1.00 1.11 H new ATOM 0 HD13 ILE B 10 -4.448 -13.565 1.634 1.00 1.11 H new ATOM 672 N ASP B 11 -2.977 -11.899 -3.036 1.00 0.39 N ATOM 673 CA ASP B 11 -1.709 -11.831 -3.754 1.00 0.47 C ATOM 674 C ASP B 11 -1.727 -10.661 -4.727 1.00 0.48 C ATOM 675 O ASP B 11 -0.714 -9.990 -4.945 1.00 0.52 O ATOM 676 CB ASP B 11 -1.448 -13.138 -4.506 1.00 0.58 C ATOM 677 CG ASP B 11 0.016 -13.532 -4.488 1.00 0.84 C ATOM 678 OD1 ASP B 11 0.759 -13.096 -5.392 1.00 1.51 O ATOM 679 OD2 ASP B 11 0.419 -14.277 -3.571 1.00 1.45 O ATOM 0 H ASP B 11 -3.414 -12.821 -3.032 1.00 0.39 H new ATOM 0 HA ASP B 11 -0.906 -11.682 -3.032 1.00 0.47 H new ATOM 0 HB2 ASP B 11 -2.042 -13.936 -4.060 1.00 0.58 H new ATOM 0 HB3 ASP B 11 -1.781 -13.033 -5.539 1.00 0.58 H new ATOM 684 N ASP B 12 -2.903 -10.407 -5.287 1.00 0.48 N ATOM 685 CA ASP B 12 -3.077 -9.302 -6.217 1.00 0.53 C ATOM 686 C ASP B 12 -2.894 -7.990 -5.476 1.00 0.49 C ATOM 687 O ASP B 12 -2.169 -7.099 -5.921 1.00 0.54 O ATOM 688 CB ASP B 12 -4.463 -9.357 -6.863 1.00 0.60 C ATOM 689 CG ASP B 12 -4.492 -10.234 -8.098 1.00 0.75 C ATOM 690 OD1 ASP B 12 -3.479 -10.263 -8.829 1.00 1.44 O ATOM 691 OD2 ASP B 12 -5.526 -10.892 -8.335 1.00 1.32 O ATOM 0 H ASP B 12 -3.748 -10.951 -5.113 1.00 0.48 H new ATOM 0 HA ASP B 12 -2.331 -9.379 -7.008 1.00 0.53 H new ATOM 0 HB2 ASP B 12 -5.184 -9.733 -6.137 1.00 0.60 H new ATOM 0 HB3 ASP B 12 -4.776 -8.348 -7.130 1.00 0.60 H new ATOM 696 N ILE B 13 -3.545 -7.891 -4.323 1.00 0.43 N ATOM 697 CA ILE B 13 -3.447 -6.704 -3.495 1.00 0.44 C ATOM 698 C ILE B 13 -2.002 -6.474 -3.074 1.00 0.42 C ATOM 699 O ILE B 13 -1.492 -5.365 -3.167 1.00 0.45 O ATOM 700 CB ILE B 13 -4.331 -6.820 -2.237 1.00 0.43 C ATOM 701 CG1 ILE B 13 -5.760 -7.201 -2.627 1.00 0.46 C ATOM 702 CG2 ILE B 13 -4.316 -5.514 -1.454 1.00 0.55 C ATOM 703 CD1 ILE B 13 -6.715 -7.258 -1.454 1.00 0.50 C ATOM 0 H ILE B 13 -4.146 -8.622 -3.943 1.00 0.43 H new ATOM 0 HA ILE B 13 -3.798 -5.859 -4.088 1.00 0.44 H new ATOM 0 HB ILE B 13 -3.928 -7.605 -1.598 1.00 0.43 H new ATOM 0 HG12 ILE B 13 -6.134 -6.480 -3.354 1.00 0.46 H new ATOM 0 HG13 ILE B 13 -5.746 -8.173 -3.121 1.00 0.46 H new ATOM 0 HG21 ILE B 13 -4.945 -5.613 -0.569 1.00 0.55 H new ATOM 0 HG22 ILE B 13 -3.295 -5.284 -1.150 1.00 0.55 H new ATOM 0 HG23 ILE B 13 -4.697 -4.709 -2.082 1.00 0.55 H new ATOM 0 HD11 ILE B 13 -7.709 -7.534 -1.807 1.00 0.50 H new ATOM 0 HD12 ILE B 13 -6.366 -8.000 -0.736 1.00 0.50 H new ATOM 0 HD13 ILE B 13 -6.759 -6.281 -0.973 1.00 0.50 H new ATOM 715 N ASP B 14 -1.342 -7.540 -2.621 1.00 0.40 N ATOM 716 CA ASP B 14 0.053 -7.458 -2.192 1.00 0.43 C ATOM 717 C ASP B 14 0.900 -6.727 -3.226 1.00 0.46 C ATOM 718 O ASP B 14 1.851 -6.026 -2.883 1.00 0.48 O ATOM 719 CB ASP B 14 0.618 -8.860 -1.956 1.00 0.44 C ATOM 720 CG ASP B 14 1.724 -8.872 -0.919 1.00 0.51 C ATOM 721 OD1 ASP B 14 2.280 -7.791 -0.632 1.00 1.13 O ATOM 722 OD2 ASP B 14 2.034 -9.962 -0.395 1.00 1.32 O ATOM 0 H ASP B 14 -1.752 -8.471 -2.542 1.00 0.40 H new ATOM 0 HA ASP B 14 0.086 -6.896 -1.259 1.00 0.43 H new ATOM 0 HB2 ASP B 14 -0.185 -9.523 -1.634 1.00 0.44 H new ATOM 0 HB3 ASP B 14 1.001 -9.257 -2.896 1.00 0.44 H new ATOM 727 N HIS B 15 0.542 -6.889 -4.495 1.00 0.47 N ATOM 728 CA HIS B 15 1.265 -6.237 -5.576 1.00 0.52 C ATOM 729 C HIS B 15 0.916 -4.756 -5.629 1.00 0.53 C ATOM 730 O HIS B 15 1.726 -3.927 -6.047 1.00 0.56 O ATOM 731 CB HIS B 15 0.930 -6.898 -6.913 1.00 0.56 C ATOM 732 CG HIS B 15 2.013 -6.761 -7.938 1.00 0.76 C ATOM 733 ND1 HIS B 15 3.005 -5.805 -7.861 1.00 0.92 N ATOM 734 CD2 HIS B 15 2.259 -7.466 -9.067 1.00 1.01 C ATOM 735 CE1 HIS B 15 3.813 -5.928 -8.899 1.00 1.12 C ATOM 736 NE2 HIS B 15 3.384 -6.929 -9.645 1.00 1.19 N ATOM 0 H HIS B 15 -0.243 -7.465 -4.798 1.00 0.47 H new ATOM 0 HA HIS B 15 2.334 -6.341 -5.388 1.00 0.52 H new ATOM 0 HB2 HIS B 15 0.732 -7.957 -6.746 1.00 0.56 H new ATOM 0 HB3 HIS B 15 0.012 -6.460 -7.305 1.00 0.56 H new ATOM 0 HD1 HIS B 15 3.100 -5.112 -7.119 1.00 0.92 H new ATOM 0 HD2 HIS B 15 1.679 -8.296 -9.443 1.00 1.01 H new ATOM 0 HE1 HIS B 15 4.678 -5.314 -9.103 1.00 1.12 H new ATOM 745 N GLU B 16 -0.299 -4.431 -5.199 1.00 0.52 N ATOM 746 CA GLU B 16 -0.760 -3.051 -5.197 1.00 0.56 C ATOM 747 C GLU B 16 -0.304 -2.323 -3.938 1.00 0.57 C ATOM 748 O GLU B 16 -0.009 -1.129 -3.972 1.00 0.64 O ATOM 749 CB GLU B 16 -2.285 -3.004 -5.306 1.00 0.58 C ATOM 750 CG GLU B 16 -2.854 -3.987 -6.316 1.00 0.59 C ATOM 751 CD GLU B 16 -4.346 -4.196 -6.151 1.00 1.29 C ATOM 752 OE1 GLU B 16 -5.073 -3.192 -5.997 1.00 2.03 O ATOM 753 OE2 GLU B 16 -4.789 -5.364 -6.174 1.00 1.99 O ATOM 0 H GLU B 16 -0.980 -5.105 -4.848 1.00 0.52 H new ATOM 0 HA GLU B 16 -0.324 -2.547 -6.060 1.00 0.56 H new ATOM 0 HB2 GLU B 16 -2.717 -3.211 -4.327 1.00 0.58 H new ATOM 0 HB3 GLU B 16 -2.590 -1.995 -5.582 1.00 0.58 H new ATOM 0 HG2 GLU B 16 -2.651 -3.625 -7.324 1.00 0.59 H new ATOM 0 HG3 GLU B 16 -2.343 -4.944 -6.213 1.00 0.59 H new ATOM 760 N ILE B 17 -0.244 -3.053 -2.829 1.00 0.53 N ATOM 761 CA ILE B 17 0.176 -2.485 -1.555 1.00 0.57 C ATOM 762 C ILE B 17 1.629 -2.030 -1.619 1.00 0.57 C ATOM 763 O ILE B 17 2.018 -1.054 -0.976 1.00 0.61 O ATOM 764 CB ILE B 17 0.022 -3.505 -0.408 1.00 0.58 C ATOM 765 CG1 ILE B 17 -1.372 -4.133 -0.437 1.00 0.58 C ATOM 766 CG2 ILE B 17 0.275 -2.837 0.936 1.00 0.66 C ATOM 767 CD1 ILE B 17 -1.417 -5.528 0.145 1.00 1.06 C ATOM 0 H ILE B 17 -0.482 -4.044 -2.788 1.00 0.53 H new ATOM 0 HA ILE B 17 -0.468 -1.628 -1.358 1.00 0.57 H new ATOM 0 HB ILE B 17 0.761 -4.294 -0.546 1.00 0.58 H new ATOM 0 HG12 ILE B 17 -2.061 -3.495 0.116 1.00 0.58 H new ATOM 0 HG13 ILE B 17 -1.726 -4.166 -1.468 1.00 0.58 H new ATOM 0 HG21 ILE B 17 0.162 -3.571 1.734 1.00 0.66 H new ATOM 0 HG22 ILE B 17 1.287 -2.432 0.956 1.00 0.66 H new ATOM 0 HG23 ILE B 17 -0.442 -2.029 1.082 1.00 0.66 H new ATOM 0 HD11 ILE B 17 -2.436 -5.912 0.092 1.00 1.06 H new ATOM 0 HD12 ILE B 17 -0.753 -6.181 -0.422 1.00 1.06 H new ATOM 0 HD13 ILE B 17 -1.094 -5.499 1.186 1.00 1.06 H new ATOM 779 N ALA B 18 2.427 -2.751 -2.401 1.00 0.53 N ATOM 780 CA ALA B 18 3.842 -2.436 -2.557 1.00 0.55 C ATOM 781 C ALA B 18 4.048 -1.286 -3.537 1.00 0.55 C ATOM 782 O ALA B 18 4.923 -0.443 -3.343 1.00 0.57 O ATOM 783 CB ALA B 18 4.604 -3.668 -3.019 1.00 0.58 C ATOM 0 H ALA B 18 2.116 -3.560 -2.938 1.00 0.53 H new ATOM 0 HA ALA B 18 4.228 -2.122 -1.587 1.00 0.55 H new ATOM 0 HB1 ALA B 18 5.660 -3.422 -3.132 1.00 0.58 H new ATOM 0 HB2 ALA B 18 4.494 -4.462 -2.280 1.00 0.58 H new ATOM 0 HB3 ALA B 18 4.205 -4.005 -3.976 1.00 0.58 H new ATOM 789 N ASP B 19 3.237 -1.256 -4.591 1.00 0.55 N ATOM 790 CA ASP B 19 3.335 -0.207 -5.602 1.00 0.57 C ATOM 791 C ASP B 19 3.250 1.177 -4.962 1.00 0.55 C ATOM 792 O ASP B 19 4.031 2.072 -5.288 1.00 0.57 O ATOM 793 CB ASP B 19 2.227 -0.369 -6.643 1.00 0.61 C ATOM 794 CG ASP B 19 2.662 -1.219 -7.821 1.00 0.93 C ATOM 795 OD1 ASP B 19 3.388 -2.210 -7.602 1.00 1.57 O ATOM 796 OD2 ASP B 19 2.274 -0.893 -8.963 1.00 1.58 O ATOM 0 H ASP B 19 2.506 -1.945 -4.767 1.00 0.55 H new ATOM 0 HA ASP B 19 4.303 -0.301 -6.094 1.00 0.57 H new ATOM 0 HB2 ASP B 19 1.354 -0.823 -6.173 1.00 0.61 H new ATOM 0 HB3 ASP B 19 1.921 0.614 -7.001 1.00 0.61 H new ATOM 801 N LEU B 20 2.299 1.342 -4.050 1.00 0.52 N ATOM 802 CA LEU B 20 2.114 2.617 -3.365 1.00 0.52 C ATOM 803 C LEU B 20 3.291 2.916 -2.443 1.00 0.50 C ATOM 804 O LEU B 20 3.871 4.000 -2.493 1.00 0.50 O ATOM 805 CB LEU B 20 0.812 2.607 -2.561 1.00 0.57 C ATOM 806 CG LEU B 20 -0.391 1.988 -3.275 1.00 0.58 C ATOM 807 CD1 LEU B 20 -1.668 2.279 -2.504 1.00 0.63 C ATOM 808 CD2 LEU B 20 -0.500 2.505 -4.702 1.00 0.62 C ATOM 0 H LEU B 20 1.645 0.611 -3.768 1.00 0.52 H new ATOM 0 HA LEU B 20 2.059 3.400 -4.121 1.00 0.52 H new ATOM 0 HB2 LEU B 20 0.982 2.063 -1.632 1.00 0.57 H new ATOM 0 HB3 LEU B 20 0.564 3.633 -2.289 1.00 0.57 H new ATOM 0 HG LEU B 20 -0.246 0.908 -3.317 1.00 0.58 H new ATOM 0 HD11 LEU B 20 -2.516 1.833 -3.023 1.00 0.63 H new ATOM 0 HD12 LEU B 20 -1.593 1.856 -1.502 1.00 0.63 H new ATOM 0 HD13 LEU B 20 -1.812 3.357 -2.433 1.00 0.63 H new ATOM 0 HD21 LEU B 20 -1.363 2.050 -5.189 1.00 0.62 H new ATOM 0 HD22 LEU B 20 -0.620 3.588 -4.688 1.00 0.62 H new ATOM 0 HD23 LEU B 20 0.405 2.247 -5.252 1.00 0.62 H new ATOM 820 N GLN B 21 3.635 1.949 -1.598 1.00 0.51 N ATOM 821 CA GLN B 21 4.741 2.109 -0.658 1.00 0.52 C ATOM 822 C GLN B 21 6.003 2.584 -1.371 1.00 0.51 C ATOM 823 O GLN B 21 6.812 3.316 -0.802 1.00 0.51 O ATOM 824 CB GLN B 21 5.015 0.791 0.067 1.00 0.56 C ATOM 825 CG GLN B 21 5.581 0.970 1.465 1.00 0.88 C ATOM 826 CD GLN B 21 5.659 -0.333 2.235 1.00 1.31 C ATOM 827 OE1 GLN B 21 4.682 -0.767 2.846 1.00 1.98 O ATOM 828 NE2 GLN B 21 6.826 -0.966 2.209 1.00 1.93 N ATOM 0 H GLN B 21 3.164 1.046 -1.544 1.00 0.51 H new ATOM 0 HA GLN B 21 4.455 2.866 0.072 1.00 0.52 H new ATOM 0 HB2 GLN B 21 4.088 0.222 0.130 1.00 0.56 H new ATOM 0 HB3 GLN B 21 5.713 0.199 -0.525 1.00 0.56 H new ATOM 0 HG2 GLN B 21 6.577 1.407 1.396 1.00 0.88 H new ATOM 0 HG3 GLN B 21 4.960 1.677 2.016 1.00 0.88 H new ATOM 0 HE21 GLN B 21 7.610 -0.570 1.690 1.00 1.93 H new ATOM 0 HE22 GLN B 21 6.939 -1.848 2.708 1.00 1.93 H new ATOM 837 N ALA B 22 6.164 2.164 -2.621 1.00 0.52 N ATOM 838 CA ALA B 22 7.328 2.549 -3.412 1.00 0.55 C ATOM 839 C ALA B 22 7.240 4.010 -3.837 1.00 0.54 C ATOM 840 O ALA B 22 8.252 4.704 -3.924 1.00 0.62 O ATOM 841 CB ALA B 22 7.459 1.649 -4.632 1.00 0.60 C ATOM 0 H ALA B 22 5.504 1.558 -3.108 1.00 0.52 H new ATOM 0 HA ALA B 22 8.216 2.430 -2.791 1.00 0.55 H new ATOM 0 HB1 ALA B 22 8.332 1.948 -5.213 1.00 0.60 H new ATOM 0 HB2 ALA B 22 7.575 0.614 -4.310 1.00 0.60 H new ATOM 0 HB3 ALA B 22 6.565 1.739 -5.249 1.00 0.60 H new ATOM 847 N LYS B 23 6.022 4.470 -4.101 1.00 0.54 N ATOM 848 CA LYS B 23 5.799 5.849 -4.519 1.00 0.55 C ATOM 849 C LYS B 23 6.067 6.820 -3.372 1.00 0.49 C ATOM 850 O LYS B 23 6.568 7.923 -3.585 1.00 0.55 O ATOM 851 CB LYS B 23 4.367 6.025 -5.026 1.00 0.59 C ATOM 852 CG LYS B 23 4.095 5.309 -6.340 1.00 0.69 C ATOM 853 CD LYS B 23 2.606 5.105 -6.565 1.00 0.76 C ATOM 854 CE LYS B 23 2.335 4.395 -7.882 1.00 0.96 C ATOM 855 NZ LYS B 23 1.036 4.811 -8.480 1.00 1.43 N ATOM 0 H LYS B 23 5.174 3.908 -4.033 1.00 0.54 H new ATOM 0 HA LYS B 23 6.495 6.072 -5.328 1.00 0.55 H new ATOM 0 HB2 LYS B 23 3.675 5.655 -4.270 1.00 0.59 H new ATOM 0 HB3 LYS B 23 4.163 7.088 -5.152 1.00 0.59 H new ATOM 0 HG2 LYS B 23 4.513 5.887 -7.164 1.00 0.69 H new ATOM 0 HG3 LYS B 23 4.600 4.343 -6.341 1.00 0.69 H new ATOM 0 HD2 LYS B 23 2.189 4.522 -5.744 1.00 0.76 H new ATOM 0 HD3 LYS B 23 2.100 6.071 -6.560 1.00 0.76 H new ATOM 0 HE2 LYS B 23 3.142 4.609 -8.583 1.00 0.96 H new ATOM 0 HE3 LYS B 23 2.331 3.317 -7.719 1.00 0.96 H new ATOM 0 HZ1 LYS B 23 0.888 4.305 -9.376 1.00 1.43 H new ATOM 0 HZ2 LYS B 23 0.263 4.584 -7.823 1.00 1.43 H new ATOM 0 HZ3 LYS B 23 1.049 5.835 -8.659 1.00 1.43 H new ATOM 869 N ARG B 24 5.730 6.403 -2.157 1.00 0.45 N ATOM 870 CA ARG B 24 5.934 7.238 -0.977 1.00 0.47 C ATOM 871 C ARG B 24 7.420 7.401 -0.671 1.00 0.52 C ATOM 872 O ARG B 24 7.885 8.502 -0.378 1.00 0.60 O ATOM 873 CB ARG B 24 5.214 6.633 0.229 1.00 0.55 C ATOM 874 CG ARG B 24 5.389 7.437 1.508 1.00 1.05 C ATOM 875 CD ARG B 24 4.087 7.534 2.288 1.00 1.09 C ATOM 876 NE ARG B 24 3.917 8.845 2.908 1.00 1.29 N ATOM 877 CZ ARG B 24 4.527 9.220 4.030 1.00 1.81 C ATOM 878 NH1 ARG B 24 5.348 8.388 4.657 1.00 2.28 N ATOM 879 NH2 ARG B 24 4.316 10.432 4.526 1.00 2.12 N ATOM 0 H ARG B 24 5.314 5.492 -1.962 1.00 0.45 H new ATOM 0 HA ARG B 24 5.518 8.224 -1.184 1.00 0.47 H new ATOM 0 HB2 ARG B 24 4.151 6.551 0.004 1.00 0.55 H new ATOM 0 HB3 ARG B 24 5.584 5.621 0.392 1.00 0.55 H new ATOM 0 HG2 ARG B 24 6.153 6.971 2.130 1.00 1.05 H new ATOM 0 HG3 ARG B 24 5.744 8.438 1.264 1.00 1.05 H new ATOM 0 HD2 ARG B 24 3.249 7.338 1.620 1.00 1.09 H new ATOM 0 HD3 ARG B 24 4.068 6.763 3.059 1.00 1.09 H new ATOM 0 HE ARG B 24 3.294 9.513 2.454 1.00 1.29 H new ATOM 0 HH11 ARG B 24 5.515 7.455 4.280 1.00 2.28 H new ATOM 0 HH12 ARG B 24 5.813 8.681 5.516 1.00 2.28 H new ATOM 0 HH21 ARG B 24 3.686 11.076 4.048 1.00 2.12 H new ATOM 0 HH22 ARG B 24 4.783 10.720 5.386 1.00 2.12 H new ATOM 893 N THR B 25 8.158 6.298 -0.734 1.00 0.52 N ATOM 894 CA THR B 25 9.590 6.317 -0.458 1.00 0.60 C ATOM 895 C THR B 25 10.333 7.206 -1.450 1.00 0.61 C ATOM 896 O THR B 25 11.077 8.104 -1.055 1.00 0.67 O ATOM 897 CB THR B 25 10.161 4.904 -0.515 1.00 0.64 C ATOM 898 OG1 THR B 25 9.149 3.941 -0.282 1.00 0.70 O ATOM 899 CG2 THR B 25 11.265 4.663 0.492 1.00 0.75 C ATOM 0 H THR B 25 7.788 5.378 -0.974 1.00 0.52 H new ATOM 0 HA THR B 25 9.727 6.724 0.544 1.00 0.60 H new ATOM 0 HB THR B 25 10.577 4.803 -1.518 1.00 0.64 H new ATOM 0 HG1 THR B 25 8.640 3.796 -1.107 1.00 0.70 H new ATOM 0 HG21 THR B 25 11.626 3.639 0.398 1.00 0.75 H new ATOM 0 HG22 THR B 25 12.085 5.356 0.305 1.00 0.75 H new ATOM 0 HG23 THR B 25 10.879 4.820 1.499 1.00 0.75 H new ATOM 907 N ARG B 26 10.129 6.948 -2.738 1.00 0.61 N ATOM 908 CA ARG B 26 10.786 7.724 -3.786 1.00 0.68 C ATOM 909 C ARG B 26 10.603 9.217 -3.543 1.00 0.64 C ATOM 910 O ARG B 26 11.540 10.003 -3.691 1.00 0.71 O ATOM 911 CB ARG B 26 10.235 7.338 -5.161 1.00 0.72 C ATOM 912 CG ARG B 26 8.736 7.546 -5.303 1.00 0.67 C ATOM 913 CD ARG B 26 8.282 7.366 -6.743 1.00 1.10 C ATOM 914 NE ARG B 26 8.891 6.194 -7.369 1.00 1.56 N ATOM 915 CZ ARG B 26 8.969 6.012 -8.686 1.00 2.14 C ATOM 916 NH1 ARG B 26 8.476 6.919 -9.518 1.00 2.60 N ATOM 917 NH2 ARG B 26 9.542 4.919 -9.171 1.00 2.89 N ATOM 0 H ARG B 26 9.515 6.209 -3.081 1.00 0.61 H new ATOM 0 HA ARG B 26 11.852 7.499 -3.762 1.00 0.68 H new ATOM 0 HB2 ARG B 26 10.747 7.923 -5.925 1.00 0.72 H new ATOM 0 HB3 ARG B 26 10.467 6.290 -5.354 1.00 0.72 H new ATOM 0 HG2 ARG B 26 8.207 6.840 -4.663 1.00 0.67 H new ATOM 0 HG3 ARG B 26 8.472 8.546 -4.960 1.00 0.67 H new ATOM 0 HD2 ARG B 26 7.197 7.269 -6.771 1.00 1.10 H new ATOM 0 HD3 ARG B 26 8.537 8.257 -7.317 1.00 1.10 H new ATOM 0 HE ARG B 26 9.279 5.473 -6.761 1.00 1.56 H new ATOM 0 HH11 ARG B 26 8.034 7.762 -9.150 1.00 2.60 H new ATOM 0 HH12 ARG B 26 8.539 6.774 -10.526 1.00 2.60 H new ATOM 0 HH21 ARG B 26 9.923 4.218 -8.535 1.00 2.89 H new ATOM 0 HH22 ARG B 26 9.602 4.779 -10.180 1.00 2.89 H new ATOM 931 N LEU B 27 9.393 9.598 -3.154 1.00 0.57 N ATOM 932 CA LEU B 27 9.094 10.994 -2.876 1.00 0.55 C ATOM 933 C LEU B 27 9.890 11.468 -1.667 1.00 0.56 C ATOM 934 O LEU B 27 10.350 12.608 -1.622 1.00 0.61 O ATOM 935 CB LEU B 27 7.596 11.187 -2.634 1.00 0.51 C ATOM 936 CG LEU B 27 6.790 11.617 -3.863 1.00 0.60 C ATOM 937 CD1 LEU B 27 7.119 13.053 -4.240 1.00 1.38 C ATOM 938 CD2 LEU B 27 7.059 10.683 -5.033 1.00 1.34 C ATOM 0 H LEU B 27 8.606 8.962 -3.025 1.00 0.57 H new ATOM 0 HA LEU B 27 9.380 11.589 -3.743 1.00 0.55 H new ATOM 0 HB2 LEU B 27 7.181 10.253 -2.256 1.00 0.51 H new ATOM 0 HB3 LEU B 27 7.463 11.935 -1.852 1.00 0.51 H new ATOM 0 HG LEU B 27 5.730 11.560 -3.616 1.00 0.60 H new ATOM 0 HD11 LEU B 27 6.537 13.342 -5.115 1.00 1.38 H new ATOM 0 HD12 LEU B 27 6.874 13.713 -3.408 1.00 1.38 H new ATOM 0 HD13 LEU B 27 8.182 13.135 -4.468 1.00 1.38 H new ATOM 0 HD21 LEU B 27 6.477 11.005 -5.897 1.00 1.34 H new ATOM 0 HD22 LEU B 27 8.120 10.707 -5.281 1.00 1.34 H new ATOM 0 HD23 LEU B 27 6.773 9.667 -4.761 1.00 1.34 H new ATOM 950 N VAL B 28 10.063 10.579 -0.692 1.00 0.57 N ATOM 951 CA VAL B 28 10.819 10.914 0.507 1.00 0.63 C ATOM 952 C VAL B 28 12.273 11.180 0.151 1.00 0.73 C ATOM 953 O VAL B 28 12.869 12.152 0.614 1.00 0.79 O ATOM 954 CB VAL B 28 10.758 9.789 1.552 1.00 0.66 C ATOM 955 CG1 VAL B 28 11.413 10.232 2.852 1.00 0.77 C ATOM 956 CG2 VAL B 28 9.318 9.353 1.790 1.00 0.63 C ATOM 0 H VAL B 28 9.692 9.629 -0.710 1.00 0.57 H new ATOM 0 HA VAL B 28 10.367 11.808 0.936 1.00 0.63 H new ATOM 0 HB VAL B 28 11.311 8.932 1.168 1.00 0.66 H new ATOM 0 HG11 VAL B 28 11.360 9.423 3.580 1.00 0.77 H new ATOM 0 HG12 VAL B 28 12.457 10.485 2.666 1.00 0.77 H new ATOM 0 HG13 VAL B 28 10.892 11.106 3.243 1.00 0.77 H new ATOM 0 HG21 VAL B 28 9.297 8.556 2.533 1.00 0.63 H new ATOM 0 HG22 VAL B 28 8.736 10.201 2.151 1.00 0.63 H new ATOM 0 HG23 VAL B 28 8.889 8.990 0.856 1.00 0.63 H new ATOM 966 N GLN B 29 12.832 10.317 -0.691 1.00 0.80 N ATOM 967 CA GLN B 29 14.213 10.467 -1.129 1.00 0.92 C ATOM 968 C GLN B 29 14.433 11.875 -1.664 1.00 0.94 C ATOM 969 O GLN B 29 15.510 12.452 -1.512 1.00 1.02 O ATOM 970 CB GLN B 29 14.549 9.435 -2.207 1.00 1.05 C ATOM 971 CG GLN B 29 14.475 7.998 -1.719 1.00 1.34 C ATOM 972 CD GLN B 29 15.840 7.418 -1.403 1.00 1.63 C ATOM 973 OE1 GLN B 29 16.855 7.865 -1.937 1.00 2.33 O ATOM 974 NE2 GLN B 29 15.870 6.415 -0.533 1.00 1.99 N ATOM 0 H GLN B 29 12.350 9.508 -1.083 1.00 0.80 H new ATOM 0 HA GLN B 29 14.872 10.301 -0.277 1.00 0.92 H new ATOM 0 HB2 GLN B 29 13.863 9.561 -3.045 1.00 1.05 H new ATOM 0 HB3 GLN B 29 15.553 9.630 -2.585 1.00 1.05 H new ATOM 0 HG2 GLN B 29 13.850 7.953 -0.827 1.00 1.34 H new ATOM 0 HG3 GLN B 29 13.991 7.385 -2.479 1.00 1.34 H new ATOM 0 HE21 GLN B 29 15.003 6.077 -0.115 1.00 1.99 H new ATOM 0 HE22 GLN B 29 16.760 5.983 -0.283 1.00 1.99 H new ATOM 983 N GLN B 30 13.389 12.428 -2.275 1.00 0.93 N ATOM 984 CA GLN B 30 13.447 13.777 -2.815 1.00 1.05 C ATOM 985 C GLN B 30 13.535 14.792 -1.682 1.00 1.03 C ATOM 986 O GLN B 30 14.189 15.827 -1.812 1.00 1.16 O ATOM 987 CB GLN B 30 12.218 14.059 -3.681 1.00 1.14 C ATOM 988 CG GLN B 30 12.476 13.908 -5.171 1.00 1.56 C ATOM 989 CD GLN B 30 11.208 13.630 -5.957 1.00 1.85 C ATOM 990 OE1 GLN B 30 10.101 13.856 -5.470 1.00 2.32 O ATOM 991 NE2 GLN B 30 11.366 13.137 -7.180 1.00 2.39 N ATOM 0 H GLN B 30 12.493 11.959 -2.407 1.00 0.93 H new ATOM 0 HA GLN B 30 14.338 13.864 -3.437 1.00 1.05 H new ATOM 0 HB2 GLN B 30 11.415 13.382 -3.389 1.00 1.14 H new ATOM 0 HB3 GLN B 30 11.868 15.072 -3.482 1.00 1.14 H new ATOM 0 HG2 GLN B 30 12.942 14.818 -5.549 1.00 1.56 H new ATOM 0 HG3 GLN B 30 13.185 13.096 -5.333 1.00 1.56 H new ATOM 0 HE21 GLN B 30 12.303 12.965 -7.543 1.00 2.39 H new ATOM 0 HE22 GLN B 30 10.550 12.930 -7.756 1.00 2.39 H new ATOM 1000 N HIS B 31 12.879 14.484 -0.566 1.00 0.92 N ATOM 1001 CA HIS B 31 12.896 15.371 0.595 1.00 1.01 C ATOM 1002 C HIS B 31 13.049 14.574 1.890 1.00 1.11 C ATOM 1003 O HIS B 31 12.096 14.425 2.655 1.00 1.33 O ATOM 1004 CB HIS B 31 11.627 16.223 0.651 1.00 1.26 C ATOM 1005 CG HIS B 31 10.371 15.428 0.807 1.00 1.85 C ATOM 1006 ND1 HIS B 31 9.854 14.646 -0.196 1.00 1.98 N ATOM 1007 CD2 HIS B 31 9.521 15.303 1.855 1.00 2.73 C ATOM 1008 CE1 HIS B 31 8.739 14.078 0.220 1.00 2.71 C ATOM 1009 NE2 HIS B 31 8.514 14.458 1.463 1.00 3.18 N ATOM 0 H HIS B 31 12.332 13.632 -0.441 1.00 0.92 H new ATOM 0 HA HIS B 31 13.755 16.034 0.491 1.00 1.01 H new ATOM 0 HB2 HIS B 31 11.708 16.924 1.482 1.00 1.26 H new ATOM 0 HB3 HIS B 31 11.559 16.817 -0.261 1.00 1.26 H new ATOM 0 HD1 HIS B 31 10.268 14.523 -1.120 1.00 1.98 H new ATOM 0 HD2 HIS B 31 9.618 15.780 2.819 1.00 2.73 H new ATOM 0 HE1 HIS B 31 8.115 13.414 -0.359 1.00 2.71 H new ATOM 1018 N PRO B 32 14.259 14.050 2.153 1.00 1.38 N ATOM 1019 CA PRO B 32 14.533 13.267 3.361 1.00 1.79 C ATOM 1020 C PRO B 32 14.645 14.141 4.605 1.00 1.86 C ATOM 1021 O PRO B 32 14.361 13.694 5.717 1.00 2.31 O ATOM 1022 CB PRO B 32 15.874 12.605 3.048 1.00 2.24 C ATOM 1023 CG PRO B 32 16.547 13.546 2.111 1.00 2.17 C ATOM 1024 CD PRO B 32 15.452 14.180 1.294 1.00 1.64 C ATOM 0 HA PRO B 32 13.733 12.561 3.584 1.00 1.79 H new ATOM 0 HB2 PRO B 32 16.464 12.457 3.953 1.00 2.24 H new ATOM 0 HB3 PRO B 32 15.735 11.624 2.593 1.00 2.24 H new ATOM 0 HG2 PRO B 32 17.112 14.301 2.657 1.00 2.17 H new ATOM 0 HG3 PRO B 32 17.255 13.019 1.471 1.00 2.17 H new ATOM 0 HD2 PRO B 32 15.672 15.224 1.069 1.00 1.64 H new ATOM 0 HD3 PRO B 32 15.317 13.670 0.340 1.00 1.64 H new ATOM 1032 N ARG B 33 15.064 15.387 4.411 1.00 2.06 N ATOM 1033 CA ARG B 33 15.214 16.324 5.518 1.00 2.26 C ATOM 1034 C ARG B 33 14.723 17.714 5.125 1.00 3.01 C ATOM 1035 O ARG B 33 14.531 17.952 3.915 1.00 3.62 O ATOM 1036 CB ARG B 33 16.678 16.394 5.958 1.00 2.19 C ATOM 1037 CG ARG B 33 17.631 16.789 4.841 1.00 2.87 C ATOM 1038 CD ARG B 33 18.502 15.620 4.406 1.00 3.48 C ATOM 1039 NE ARG B 33 19.882 15.765 4.863 1.00 4.18 N ATOM 1040 CZ ARG B 33 20.751 14.759 4.932 1.00 4.96 C ATOM 1041 NH1 ARG B 33 20.387 13.534 4.573 1.00 5.21 N ATOM 1042 NH2 ARG B 33 21.987 14.979 5.358 1.00 5.81 N ATOM 0 H ARG B 33 15.306 15.771 3.498 1.00 2.06 H new ATOM 0 HA ARG B 33 14.607 15.966 6.350 1.00 2.26 H new ATOM 0 HB2 ARG B 33 16.770 17.112 6.773 1.00 2.19 H new ATOM 0 HB3 ARG B 33 16.977 15.423 6.353 1.00 2.19 H new ATOM 0 HG2 ARG B 33 17.060 17.155 3.988 1.00 2.87 H new ATOM 0 HG3 ARG B 33 18.265 17.610 5.176 1.00 2.87 H new ATOM 0 HD2 ARG B 33 18.086 14.692 4.799 1.00 3.48 H new ATOM 0 HD3 ARG B 33 18.487 15.541 3.319 1.00 3.48 H new ATOM 0 HE ARG B 33 20.199 16.692 5.146 1.00 4.18 H new ATOM 0 HH11 ARG B 33 19.438 13.360 4.242 1.00 5.21 H new ATOM 0 HH12 ARG B 33 21.057 12.766 4.628 1.00 5.21 H new ATOM 0 HH21 ARG B 33 22.272 15.919 5.633 1.00 5.81 H new ATOM 0 HH22 ARG B 33 22.653 14.208 5.411 1.00 5.81 H new TER 1056 ARG B 33