USER MOD reduce.3.24.130724 H: found=0, std=0, add=526, rem=0, adj=8 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 CYS SG : rot 180:sc= 0 USER MOD Single : A 5 ASN : amide:sc= -0.121 X(o=-0.12,f=-0.0033) USER MOD Single : A 8 GLN : amide:sc= -0.133 K(o=-0.13,f=-2.5!) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS : no HD1:sc= -0.0861 X(o=-0.086,f=-0.54) USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 LYS NZ :NH3+ -143:sc= -0.673 (180deg=-2.07) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0.0352 USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 GLN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : A 31 HIS : no HE2:sc= -8.61! C(o=-8.6!,f=-18!) USER MOD Single : B 1 CYS N :NH3+ -173:sc= 0 (180deg=-0.0479) USER MOD Single : B 1 CYS SG : rot 180:sc= 0 USER MOD Single : B 5 ASN : amide:sc= 0.0435 X(o=0.044,f=0) USER MOD Single : B 8 GLN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : B 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 HIS : no HD1:sc= -0.0979 X(o=-0.098,f=-0.49) 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 180:sc= -0.172 USER MOD Single : B 29 GLN : amide:sc= -0.515 X(o=-0.52,f=-0.028) USER MOD Single : B 30 GLN : amide:sc= -1.11 K(o=-1.1,f=-3.2) USER MOD Single : B 31 HIS : no HE2:sc= -7.28! C(o=-7.3!,f=-15!) USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 1 12.474 26.216 -3.859 1.00 4.71 N ATOM 2 CA CYS A 1 11.860 25.153 -4.695 1.00 4.20 C ATOM 3 C CYS A 1 10.344 25.125 -4.528 1.00 3.72 C ATOM 4 O CYS A 1 9.601 25.424 -5.464 1.00 4.32 O ATOM 5 CB CYS A 1 12.459 23.806 -4.287 1.00 4.04 C ATOM 6 SG CYS A 1 13.926 23.334 -5.233 1.00 4.94 S ATOM 0 H1 CYS A 1 13.505 26.211 -3.993 1.00 4.71 H new ATOM 0 H2 CYS A 1 12.093 27.142 -4.140 1.00 4.71 H new ATOM 0 H3 CYS A 1 12.254 26.040 -2.858 1.00 4.71 H new ATOM 0 HA CYS A 1 12.071 25.358 -5.745 1.00 4.20 H new ATOM 0 HB2 CYS A 1 12.718 23.841 -3.229 1.00 4.04 H new ATOM 0 HB3 CYS A 1 11.700 23.033 -4.404 1.00 4.04 H new ATOM 0 HG CYS A 1 14.361 22.183 -4.814 1.00 4.94 H new ATOM 12 N GLY A 2 9.891 24.767 -3.331 1.00 3.04 N ATOM 13 CA GLY A 2 8.466 24.708 -3.064 1.00 2.89 C ATOM 14 C GLY A 2 8.160 24.559 -1.586 1.00 2.25 C ATOM 15 O GLY A 2 7.236 25.188 -1.071 1.00 2.72 O ATOM 0 H GLY A 2 10.486 24.517 -2.541 1.00 3.04 H new ATOM 0 HA2 GLY A 2 7.991 25.614 -3.441 1.00 2.89 H new ATOM 0 HA3 GLY A 2 8.032 23.870 -3.608 1.00 2.89 H new ATOM 19 N GLY A 3 8.938 23.724 -0.904 1.00 1.84 N ATOM 20 CA GLY A 3 8.730 23.510 0.516 1.00 1.56 C ATOM 21 C GLY A 3 8.264 22.101 0.828 1.00 1.41 C ATOM 22 O GLY A 3 8.906 21.127 0.436 1.00 1.64 O ATOM 0 H GLY A 3 9.708 23.192 -1.309 1.00 1.84 H new ATOM 0 HA2 GLY A 3 9.659 23.709 1.050 1.00 1.56 H new ATOM 0 HA3 GLY A 3 7.992 24.223 0.884 1.00 1.56 H new ATOM 26 N ASP A 4 7.145 21.993 1.536 1.00 1.16 N ATOM 27 CA ASP A 4 6.592 20.694 1.902 1.00 1.32 C ATOM 28 C ASP A 4 5.549 20.228 0.891 1.00 1.31 C ATOM 29 O ASP A 4 4.781 19.305 1.161 1.00 1.72 O ATOM 30 CB ASP A 4 5.959 20.762 3.285 1.00 1.55 C ATOM 31 CG ASP A 4 6.954 21.146 4.363 1.00 2.07 C ATOM 32 OD1 ASP A 4 8.069 20.585 4.369 1.00 2.50 O ATOM 33 OD2 ASP A 4 6.618 22.010 5.200 1.00 2.71 O ATOM 0 H ASP A 4 6.603 22.790 1.868 1.00 1.16 H new ATOM 0 HA ASP A 4 7.413 19.977 1.908 1.00 1.32 H new ATOM 0 HB2 ASP A 4 5.145 21.486 3.273 1.00 1.55 H new ATOM 0 HB3 ASP A 4 5.521 19.794 3.528 1.00 1.55 H new ATOM 38 N ASN A 5 5.530 20.864 -0.274 1.00 1.09 N ATOM 39 CA ASN A 5 4.585 20.505 -1.326 1.00 1.25 C ATOM 40 C ASN A 5 4.678 19.015 -1.627 1.00 1.13 C ATOM 41 O ASN A 5 3.706 18.388 -2.048 1.00 1.48 O ATOM 42 CB ASN A 5 4.861 21.317 -2.593 1.00 1.53 C ATOM 43 CG ASN A 5 3.925 22.502 -2.736 1.00 2.03 C ATOM 44 OD1 ASN A 5 4.362 23.653 -2.767 1.00 2.64 O ATOM 45 ND2 ASN A 5 2.629 22.225 -2.821 1.00 2.27 N ATOM 0 H ASN A 5 6.158 21.631 -0.515 1.00 1.09 H new ATOM 0 HA ASN A 5 3.577 20.734 -0.980 1.00 1.25 H new ATOM 0 HB2 ASN A 5 5.892 21.671 -2.577 1.00 1.53 H new ATOM 0 HB3 ASN A 5 4.760 20.671 -3.465 1.00 1.53 H new ATOM 0 HD21 ASN A 5 1.951 22.981 -2.916 1.00 2.27 H new ATOM 0 HD22 ASN A 5 2.312 21.256 -2.791 1.00 2.27 H new ATOM 52 N ILE A 6 5.859 18.458 -1.391 1.00 0.80 N ATOM 53 CA ILE A 6 6.102 17.044 -1.614 1.00 0.71 C ATOM 54 C ILE A 6 5.601 16.229 -0.429 1.00 0.63 C ATOM 55 O ILE A 6 4.942 15.202 -0.598 1.00 0.60 O ATOM 56 CB ILE A 6 7.602 16.769 -1.814 1.00 0.75 C ATOM 57 CG1 ILE A 6 8.202 17.770 -2.804 1.00 1.10 C ATOM 58 CG2 ILE A 6 7.819 15.346 -2.295 1.00 1.03 C ATOM 59 CD1 ILE A 6 9.710 17.690 -2.905 1.00 1.80 C ATOM 0 H ILE A 6 6.668 18.972 -1.042 1.00 0.80 H new ATOM 0 HA ILE A 6 5.563 16.752 -2.515 1.00 0.71 H new ATOM 0 HB ILE A 6 8.108 16.889 -0.856 1.00 0.75 H new ATOM 0 HG12 ILE A 6 7.770 17.597 -3.790 1.00 1.10 H new ATOM 0 HG13 ILE A 6 7.919 18.779 -2.505 1.00 1.10 H new ATOM 0 HG21 ILE A 6 8.885 15.167 -2.432 1.00 1.03 H new ATOM 0 HG22 ILE A 6 7.426 14.648 -1.556 1.00 1.03 H new ATOM 0 HG23 ILE A 6 7.302 15.200 -3.243 1.00 1.03 H new ATOM 0 HD11 ILE A 6 10.066 18.427 -3.624 1.00 1.80 H new ATOM 0 HD12 ILE A 6 10.151 17.893 -1.929 1.00 1.80 H new ATOM 0 HD13 ILE A 6 10.000 16.692 -3.234 1.00 1.80 H new ATOM 71 N GLU A 7 5.915 16.704 0.771 1.00 0.66 N ATOM 72 CA GLU A 7 5.499 16.038 2.001 1.00 0.63 C ATOM 73 C GLU A 7 3.985 15.860 2.034 1.00 0.59 C ATOM 74 O GLU A 7 3.473 14.922 2.641 1.00 0.56 O ATOM 75 CB GLU A 7 5.959 16.839 3.220 1.00 0.76 C ATOM 76 CG GLU A 7 6.440 15.971 4.372 1.00 0.78 C ATOM 77 CD GLU A 7 7.398 16.701 5.292 1.00 1.41 C ATOM 78 OE1 GLU A 7 8.212 17.502 4.786 1.00 1.96 O ATOM 79 OE2 GLU A 7 7.334 16.473 6.518 1.00 2.15 O ATOM 0 H GLU A 7 6.460 17.553 0.919 1.00 0.66 H new ATOM 0 HA GLU A 7 5.964 15.052 2.029 1.00 0.63 H new ATOM 0 HB2 GLU A 7 6.764 17.510 2.921 1.00 0.76 H new ATOM 0 HB3 GLU A 7 5.135 17.464 3.566 1.00 0.76 H new ATOM 0 HG2 GLU A 7 5.580 15.628 4.947 1.00 0.78 H new ATOM 0 HG3 GLU A 7 6.931 15.083 3.973 1.00 0.78 H new ATOM 86 N GLN A 8 3.275 16.765 1.371 1.00 0.64 N ATOM 87 CA GLN A 8 1.821 16.702 1.318 1.00 0.64 C ATOM 88 C GLN A 8 1.376 15.632 0.328 1.00 0.58 C ATOM 89 O GLN A 8 0.410 14.906 0.569 1.00 0.60 O ATOM 90 CB GLN A 8 1.244 18.060 0.916 1.00 0.74 C ATOM 91 CG GLN A 8 -0.141 18.326 1.482 1.00 1.08 C ATOM 92 CD GLN A 8 -0.108 18.715 2.947 1.00 1.55 C ATOM 93 OE1 GLN A 8 0.840 18.396 3.665 1.00 2.21 O ATOM 94 NE2 GLN A 8 -1.146 19.408 3.399 1.00 2.21 N ATOM 0 H GLN A 8 3.683 17.550 0.863 1.00 0.64 H new ATOM 0 HA GLN A 8 1.449 16.443 2.309 1.00 0.64 H new ATOM 0 HB2 GLN A 8 1.921 18.846 1.251 1.00 0.74 H new ATOM 0 HB3 GLN A 8 1.200 18.119 -0.172 1.00 0.74 H new ATOM 0 HG2 GLN A 8 -0.617 19.122 0.909 1.00 1.08 H new ATOM 0 HG3 GLN A 8 -0.756 17.435 1.360 1.00 1.08 H new ATOM 0 HE21 GLN A 8 -1.910 19.651 2.769 1.00 2.21 H new ATOM 0 HE22 GLN A 8 -1.179 19.698 4.376 1.00 2.21 H new ATOM 103 N LYS A 9 2.096 15.540 -0.784 1.00 0.56 N ATOM 104 CA LYS A 9 1.788 14.558 -1.815 1.00 0.54 C ATOM 105 C LYS A 9 1.950 13.141 -1.279 1.00 0.47 C ATOM 106 O LYS A 9 1.178 12.246 -1.622 1.00 0.52 O ATOM 107 CB LYS A 9 2.695 14.763 -3.031 1.00 0.59 C ATOM 108 CG LYS A 9 2.048 14.362 -4.347 1.00 0.86 C ATOM 109 CD LYS A 9 2.808 14.927 -5.537 1.00 1.16 C ATOM 110 CE LYS A 9 3.745 13.894 -6.141 1.00 1.65 C ATOM 111 NZ LYS A 9 4.472 14.429 -7.325 1.00 2.42 N ATOM 0 H LYS A 9 2.898 16.134 -0.994 1.00 0.56 H new ATOM 0 HA LYS A 9 0.750 14.697 -2.117 1.00 0.54 H new ATOM 0 HB2 LYS A 9 2.986 15.812 -3.084 1.00 0.59 H new ATOM 0 HB3 LYS A 9 3.609 14.185 -2.894 1.00 0.59 H new ATOM 0 HG2 LYS A 9 2.012 13.275 -4.420 1.00 0.86 H new ATOM 0 HG3 LYS A 9 1.018 14.717 -4.370 1.00 0.86 H new ATOM 0 HD2 LYS A 9 2.101 15.265 -6.294 1.00 1.16 H new ATOM 0 HD3 LYS A 9 3.381 15.800 -5.223 1.00 1.16 H new ATOM 0 HE2 LYS A 9 4.465 13.572 -5.388 1.00 1.65 H new ATOM 0 HE3 LYS A 9 3.174 13.013 -6.433 1.00 1.65 H new ATOM 0 HZ1 LYS A 9 5.101 13.694 -7.708 1.00 2.42 H new ATOM 0 HZ2 LYS A 9 3.787 14.713 -8.054 1.00 2.42 H new ATOM 0 HZ3 LYS A 9 5.037 15.255 -7.041 1.00 2.42 H new ATOM 125 N ILE A 10 2.958 12.942 -0.434 1.00 0.42 N ATOM 126 CA ILE A 10 3.210 11.630 0.144 1.00 0.38 C ATOM 127 C ILE A 10 2.149 11.269 1.175 1.00 0.38 C ATOM 128 O ILE A 10 1.660 10.142 1.200 1.00 0.38 O ATOM 129 CB ILE A 10 4.592 11.539 0.811 1.00 0.40 C ATOM 130 CG1 ILE A 10 4.824 12.708 1.769 1.00 0.44 C ATOM 131 CG2 ILE A 10 5.689 11.483 -0.241 1.00 0.46 C ATOM 132 CD1 ILE A 10 6.065 12.549 2.619 1.00 0.95 C ATOM 0 H ILE A 10 3.609 13.669 -0.137 1.00 0.42 H new ATOM 0 HA ILE A 10 3.176 10.926 -0.687 1.00 0.38 H new ATOM 0 HB ILE A 10 4.622 10.619 1.395 1.00 0.40 H new ATOM 0 HG12 ILE A 10 4.902 13.630 1.193 1.00 0.44 H new ATOM 0 HG13 ILE A 10 3.957 12.812 2.421 1.00 0.44 H new ATOM 0 HG21 ILE A 10 6.660 11.419 0.249 1.00 0.46 H new ATOM 0 HG22 ILE A 10 5.543 10.607 -0.873 1.00 0.46 H new ATOM 0 HG23 ILE A 10 5.651 12.383 -0.855 1.00 0.46 H new ATOM 0 HD11 ILE A 10 6.170 13.413 3.275 1.00 0.95 H new ATOM 0 HD12 ILE A 10 5.980 11.644 3.221 1.00 0.95 H new ATOM 0 HD13 ILE A 10 6.941 12.475 1.974 1.00 0.95 H new ATOM 144 N ASP A 11 1.790 12.231 2.023 1.00 0.41 N ATOM 145 CA ASP A 11 0.777 11.998 3.046 1.00 0.46 C ATOM 146 C ASP A 11 -0.468 11.390 2.416 1.00 0.46 C ATOM 147 O ASP A 11 -1.147 10.552 3.014 1.00 0.50 O ATOM 148 CB ASP A 11 0.422 13.306 3.756 1.00 0.54 C ATOM 149 CG ASP A 11 0.061 13.095 5.213 1.00 0.75 C ATOM 150 OD1 ASP A 11 0.947 12.683 5.990 1.00 1.48 O ATOM 151 OD2 ASP A 11 -1.108 13.342 5.577 1.00 1.32 O ATOM 0 H ASP A 11 2.183 13.172 2.021 1.00 0.41 H new ATOM 0 HA ASP A 11 1.179 11.302 3.783 1.00 0.46 H new ATOM 0 HB2 ASP A 11 1.266 13.993 3.690 1.00 0.54 H new ATOM 0 HB3 ASP A 11 -0.415 13.779 3.242 1.00 0.54 H new ATOM 156 N ASP A 12 -0.740 11.801 1.184 1.00 0.46 N ATOM 157 CA ASP A 12 -1.884 11.287 0.448 1.00 0.51 C ATOM 158 C ASP A 12 -1.659 9.817 0.135 1.00 0.48 C ATOM 159 O ASP A 12 -2.529 8.975 0.359 1.00 0.52 O ATOM 160 CB ASP A 12 -2.094 12.080 -0.844 1.00 0.56 C ATOM 161 CG ASP A 12 -3.548 12.444 -1.068 1.00 0.70 C ATOM 162 OD1 ASP A 12 -4.425 11.772 -0.486 1.00 1.28 O ATOM 163 OD2 ASP A 12 -3.809 13.402 -1.826 1.00 1.41 O ATOM 0 H ASP A 12 -0.184 12.488 0.675 1.00 0.46 H new ATOM 0 HA ASP A 12 -2.780 11.394 1.059 1.00 0.51 H new ATOM 0 HB2 ASP A 12 -1.495 12.990 -0.810 1.00 0.56 H new ATOM 0 HB3 ASP A 12 -1.735 11.494 -1.690 1.00 0.56 H new ATOM 168 N ILE A 13 -0.466 9.517 -0.365 1.00 0.43 N ATOM 169 CA ILE A 13 -0.101 8.151 -0.690 1.00 0.44 C ATOM 170 C ILE A 13 -0.168 7.278 0.555 1.00 0.44 C ATOM 171 O ILE A 13 -0.721 6.185 0.525 1.00 0.47 O ATOM 172 CB ILE A 13 1.316 8.075 -1.291 1.00 0.42 C ATOM 173 CG1 ILE A 13 1.449 9.056 -2.457 1.00 0.44 C ATOM 174 CG2 ILE A 13 1.629 6.653 -1.740 1.00 0.48 C ATOM 175 CD1 ILE A 13 2.767 8.953 -3.194 1.00 0.47 C ATOM 0 H ILE A 13 0.263 10.205 -0.553 1.00 0.43 H new ATOM 0 HA ILE A 13 -0.812 7.788 -1.433 1.00 0.44 H new ATOM 0 HB ILE A 13 2.038 8.354 -0.523 1.00 0.42 H new ATOM 0 HG12 ILE A 13 0.635 8.882 -3.161 1.00 0.44 H new ATOM 0 HG13 ILE A 13 1.333 10.072 -2.080 1.00 0.44 H new ATOM 0 HG21 ILE A 13 2.633 6.617 -2.162 1.00 0.48 H new ATOM 0 HG22 ILE A 13 1.571 5.980 -0.884 1.00 0.48 H new ATOM 0 HG23 ILE A 13 0.907 6.343 -2.495 1.00 0.48 H new ATOM 0 HD11 ILE A 13 2.787 9.679 -4.007 1.00 0.47 H new ATOM 0 HD12 ILE A 13 3.586 9.157 -2.505 1.00 0.47 H new ATOM 0 HD13 ILE A 13 2.878 7.948 -3.602 1.00 0.47 H new ATOM 187 N ASP A 14 0.391 7.778 1.657 1.00 0.43 N ATOM 188 CA ASP A 14 0.386 7.047 2.921 1.00 0.47 C ATOM 189 C ASP A 14 -1.010 6.529 3.247 1.00 0.51 C ATOM 190 O ASP A 14 -1.165 5.456 3.830 1.00 0.55 O ATOM 191 CB ASP A 14 0.884 7.947 4.054 1.00 0.49 C ATOM 192 CG ASP A 14 1.721 7.190 5.067 1.00 0.61 C ATOM 193 OD1 ASP A 14 2.495 6.301 4.653 1.00 1.29 O ATOM 194 OD2 ASP A 14 1.602 7.485 6.274 1.00 1.26 O ATOM 0 H ASP A 14 0.853 8.687 1.698 1.00 0.43 H new ATOM 0 HA ASP A 14 1.055 6.193 2.820 1.00 0.47 H new ATOM 0 HB2 ASP A 14 1.475 8.762 3.635 1.00 0.49 H new ATOM 0 HB3 ASP A 14 0.030 8.399 4.558 1.00 0.49 H new ATOM 199 N HIS A 15 -2.023 7.295 2.859 1.00 0.51 N ATOM 200 CA HIS A 15 -3.404 6.907 3.101 1.00 0.56 C ATOM 201 C HIS A 15 -3.818 5.796 2.147 1.00 0.57 C ATOM 202 O HIS A 15 -4.683 4.979 2.463 1.00 0.62 O ATOM 203 CB HIS A 15 -4.330 8.111 2.930 1.00 0.59 C ATOM 204 CG HIS A 15 -5.668 7.933 3.576 1.00 0.73 C ATOM 205 ND1 HIS A 15 -5.995 6.835 4.343 1.00 0.87 N ATOM 206 CD2 HIS A 15 -6.768 8.724 3.568 1.00 0.98 C ATOM 207 CE1 HIS A 15 -7.237 6.955 4.777 1.00 1.04 C ATOM 208 NE2 HIS A 15 -7.728 8.094 4.322 1.00 1.11 N ATOM 0 H HIS A 15 -1.912 8.187 2.376 1.00 0.51 H new ATOM 0 HA HIS A 15 -3.485 6.540 4.124 1.00 0.56 H new ATOM 0 HB2 HIS A 15 -3.847 8.993 3.351 1.00 0.59 H new ATOM 0 HB3 HIS A 15 -4.472 8.302 1.866 1.00 0.59 H new ATOM 0 HD2 HIS A 15 -6.871 9.673 3.063 1.00 0.98 H new ATOM 0 HE1 HIS A 15 -7.761 6.244 5.398 1.00 1.04 H new ATOM 0 HE2 HIS A 15 -8.668 8.448 4.501 1.00 1.11 H new ATOM 217 N GLU A 16 -3.191 5.773 0.976 1.00 0.54 N ATOM 218 CA GLU A 16 -3.494 4.765 -0.028 1.00 0.57 C ATOM 219 C GLU A 16 -2.691 3.491 0.217 1.00 0.57 C ATOM 220 O GLU A 16 -3.170 2.388 -0.038 1.00 0.63 O ATOM 221 CB GLU A 16 -3.201 5.306 -1.429 1.00 0.56 C ATOM 222 CG GLU A 16 -3.666 6.739 -1.635 1.00 0.57 C ATOM 223 CD GLU A 16 -3.037 7.387 -2.852 1.00 1.30 C ATOM 224 OE1 GLU A 16 -3.085 6.777 -3.941 1.00 2.07 O ATOM 225 OE2 GLU A 16 -2.495 8.504 -2.717 1.00 1.99 O ATOM 0 H GLU A 16 -2.471 6.441 0.701 1.00 0.54 H new ATOM 0 HA GLU A 16 -4.554 4.523 0.046 1.00 0.57 H new ATOM 0 HB2 GLU A 16 -2.128 5.250 -1.614 1.00 0.56 H new ATOM 0 HB3 GLU A 16 -3.686 4.666 -2.166 1.00 0.56 H new ATOM 0 HG2 GLU A 16 -4.751 6.753 -1.740 1.00 0.57 H new ATOM 0 HG3 GLU A 16 -3.424 7.326 -0.749 1.00 0.57 H new ATOM 232 N ILE A 17 -1.472 3.655 0.717 1.00 0.54 N ATOM 233 CA ILE A 17 -0.600 2.522 1.002 1.00 0.57 C ATOM 234 C ILE A 17 -1.191 1.647 2.099 1.00 0.59 C ATOM 235 O ILE A 17 -1.005 0.430 2.112 1.00 0.62 O ATOM 236 CB ILE A 17 0.802 2.993 1.438 1.00 0.59 C ATOM 237 CG1 ILE A 17 1.350 4.023 0.450 1.00 0.57 C ATOM 238 CG2 ILE A 17 1.750 1.809 1.552 1.00 0.66 C ATOM 239 CD1 ILE A 17 2.319 5.001 1.073 1.00 0.94 C ATOM 0 H ILE A 17 -1.064 4.564 0.934 1.00 0.54 H new ATOM 0 HA ILE A 17 -0.512 1.944 0.082 1.00 0.57 H new ATOM 0 HB ILE A 17 0.719 3.464 2.418 1.00 0.59 H new ATOM 0 HG12 ILE A 17 1.848 3.501 -0.367 1.00 0.57 H new ATOM 0 HG13 ILE A 17 0.517 4.576 0.015 1.00 0.57 H new ATOM 0 HG21 ILE A 17 2.735 2.160 1.861 1.00 0.66 H new ATOM 0 HG22 ILE A 17 1.367 1.106 2.292 1.00 0.66 H new ATOM 0 HG23 ILE A 17 1.829 1.311 0.585 1.00 0.66 H new ATOM 0 HD11 ILE A 17 2.667 5.702 0.314 1.00 0.94 H new ATOM 0 HD12 ILE A 17 1.819 5.549 1.872 1.00 0.94 H new ATOM 0 HD13 ILE A 17 3.171 4.458 1.483 1.00 0.94 H new ATOM 251 N ALA A 18 -1.907 2.283 3.022 1.00 0.58 N ATOM 252 CA ALA A 18 -2.531 1.577 4.133 1.00 0.61 C ATOM 253 C ALA A 18 -3.836 0.917 3.703 1.00 0.62 C ATOM 254 O ALA A 18 -4.153 -0.193 4.131 1.00 0.66 O ATOM 255 CB ALA A 18 -2.775 2.533 5.290 1.00 0.65 C ATOM 0 H ALA A 18 -2.069 3.290 3.021 1.00 0.58 H new ATOM 0 HA ALA A 18 -1.851 0.791 4.461 1.00 0.61 H new ATOM 0 HB1 ALA A 18 -3.242 1.994 6.115 1.00 0.65 H new ATOM 0 HB2 ALA A 18 -1.825 2.953 5.622 1.00 0.65 H new ATOM 0 HB3 ALA A 18 -3.433 3.338 4.964 1.00 0.65 H new ATOM 261 N ASP A 19 -4.593 1.607 2.854 1.00 0.61 N ATOM 262 CA ASP A 19 -5.867 1.085 2.367 1.00 0.64 C ATOM 263 C ASP A 19 -5.690 -0.299 1.749 1.00 0.61 C ATOM 264 O ASP A 19 -6.492 -1.204 1.988 1.00 0.66 O ATOM 265 CB ASP A 19 -6.473 2.043 1.337 1.00 0.66 C ATOM 266 CG ASP A 19 -7.427 3.037 1.967 1.00 1.09 C ATOM 267 OD1 ASP A 19 -8.577 2.650 2.266 1.00 1.64 O ATOM 268 OD2 ASP A 19 -7.027 4.204 2.160 1.00 1.79 O ATOM 0 H ASP A 19 -4.347 2.527 2.489 1.00 0.61 H new ATOM 0 HA ASP A 19 -6.544 0.998 3.217 1.00 0.64 H new ATOM 0 HB2 ASP A 19 -5.672 2.582 0.831 1.00 0.66 H new ATOM 0 HB3 ASP A 19 -7.001 1.468 0.576 1.00 0.66 H new ATOM 273 N LEU A 20 -4.637 -0.457 0.955 1.00 0.56 N ATOM 274 CA LEU A 20 -4.357 -1.732 0.304 1.00 0.54 C ATOM 275 C LEU A 20 -3.942 -2.788 1.323 1.00 0.52 C ATOM 276 O LEU A 20 -4.531 -3.867 1.387 1.00 0.50 O ATOM 277 CB LEU A 20 -3.259 -1.566 -0.748 1.00 0.58 C ATOM 278 CG LEU A 20 -3.415 -0.355 -1.670 1.00 0.58 C ATOM 279 CD1 LEU A 20 -2.443 -0.450 -2.835 1.00 0.63 C ATOM 280 CD2 LEU A 20 -4.845 -0.241 -2.179 1.00 0.62 C ATOM 0 H LEU A 20 -3.964 0.280 0.747 1.00 0.56 H new ATOM 0 HA LEU A 20 -5.272 -2.065 -0.185 1.00 0.54 H new ATOM 0 HB2 LEU A 20 -2.298 -1.493 -0.238 1.00 0.58 H new ATOM 0 HB3 LEU A 20 -3.227 -2.467 -1.361 1.00 0.58 H new ATOM 0 HG LEU A 20 -3.187 0.543 -1.096 1.00 0.58 H new ATOM 0 HD11 LEU A 20 -2.565 0.418 -3.483 1.00 0.63 H new ATOM 0 HD12 LEU A 20 -1.422 -0.479 -2.455 1.00 0.63 H new ATOM 0 HD13 LEU A 20 -2.644 -1.358 -3.404 1.00 0.63 H new ATOM 0 HD21 LEU A 20 -4.931 0.627 -2.832 1.00 0.62 H new ATOM 0 HD22 LEU A 20 -5.106 -1.141 -2.736 1.00 0.62 H new ATOM 0 HD23 LEU A 20 -5.524 -0.128 -1.334 1.00 0.62 H new ATOM 292 N GLN A 21 -2.920 -2.472 2.114 1.00 0.54 N ATOM 293 CA GLN A 21 -2.419 -3.397 3.127 1.00 0.55 C ATOM 294 C GLN A 21 -3.553 -3.924 4.003 1.00 0.53 C ATOM 295 O GLN A 21 -3.528 -5.075 4.438 1.00 0.53 O ATOM 296 CB GLN A 21 -1.365 -2.710 3.997 1.00 0.60 C ATOM 297 CG GLN A 21 -0.492 -3.680 4.775 1.00 0.87 C ATOM 298 CD GLN A 21 0.967 -3.270 4.789 1.00 1.25 C ATOM 299 OE1 GLN A 21 1.839 -4.019 4.348 1.00 1.99 O ATOM 300 NE2 GLN A 21 1.241 -2.074 5.297 1.00 1.74 N ATOM 0 H GLN A 21 -2.422 -1.583 2.073 1.00 0.54 H new ATOM 0 HA GLN A 21 -1.964 -4.243 2.612 1.00 0.55 H new ATOM 0 HB2 GLN A 21 -0.730 -2.091 3.363 1.00 0.60 H new ATOM 0 HB3 GLN A 21 -1.864 -2.041 4.698 1.00 0.60 H new ATOM 0 HG2 GLN A 21 -0.856 -3.748 5.800 1.00 0.87 H new ATOM 0 HG3 GLN A 21 -0.582 -4.674 4.338 1.00 0.87 H new ATOM 0 HE21 GLN A 21 0.487 -1.486 5.652 1.00 1.74 H new ATOM 0 HE22 GLN A 21 2.205 -1.744 5.333 1.00 1.74 H new ATOM 309 N ALA A 22 -4.543 -3.077 4.254 1.00 0.55 N ATOM 310 CA ALA A 22 -5.685 -3.460 5.076 1.00 0.57 C ATOM 311 C ALA A 22 -6.610 -4.406 4.320 1.00 0.55 C ATOM 312 O ALA A 22 -7.301 -5.229 4.923 1.00 0.65 O ATOM 313 CB ALA A 22 -6.446 -2.224 5.529 1.00 0.65 C ATOM 0 H ALA A 22 -4.579 -2.121 3.901 1.00 0.55 H new ATOM 0 HA ALA A 22 -5.311 -3.985 5.955 1.00 0.57 H new ATOM 0 HB1 ALA A 22 -7.296 -2.524 6.142 1.00 0.65 H new ATOM 0 HB2 ALA A 22 -5.785 -1.584 6.114 1.00 0.65 H new ATOM 0 HB3 ALA A 22 -6.803 -1.677 4.657 1.00 0.65 H new ATOM 319 N LYS A 23 -6.623 -4.283 2.996 1.00 0.53 N ATOM 320 CA LYS A 23 -7.467 -5.127 2.158 1.00 0.55 C ATOM 321 C LYS A 23 -6.922 -6.551 2.082 1.00 0.50 C ATOM 322 O LYS A 23 -7.684 -7.513 1.993 1.00 0.57 O ATOM 323 CB LYS A 23 -7.578 -4.535 0.752 1.00 0.61 C ATOM 324 CG LYS A 23 -8.695 -3.515 0.608 1.00 0.70 C ATOM 325 CD LYS A 23 -8.258 -2.320 -0.226 1.00 0.79 C ATOM 326 CE LYS A 23 -8.318 -2.627 -1.712 1.00 0.96 C ATOM 327 NZ LYS A 23 -7.222 -3.541 -2.137 1.00 1.53 N ATOM 0 H LYS A 23 -6.059 -3.607 2.481 1.00 0.53 H new ATOM 0 HA LYS A 23 -8.458 -5.165 2.611 1.00 0.55 H new ATOM 0 HB2 LYS A 23 -6.631 -4.064 0.489 1.00 0.61 H new ATOM 0 HB3 LYS A 23 -7.741 -5.343 0.038 1.00 0.61 H new ATOM 0 HG2 LYS A 23 -9.561 -3.986 0.144 1.00 0.70 H new ATOM 0 HG3 LYS A 23 -9.008 -3.175 1.595 1.00 0.70 H new ATOM 0 HD2 LYS A 23 -8.898 -1.466 -0.004 1.00 0.79 H new ATOM 0 HD3 LYS A 23 -7.242 -2.036 0.047 1.00 0.79 H new ATOM 0 HE2 LYS A 23 -9.281 -3.080 -1.950 1.00 0.96 H new ATOM 0 HE3 LYS A 23 -8.254 -1.697 -2.277 1.00 0.96 H new ATOM 0 HZ1 LYS A 23 -6.887 -3.265 -3.082 1.00 1.53 H new ATOM 0 HZ2 LYS A 23 -6.436 -3.479 -1.459 1.00 1.53 H new ATOM 0 HZ3 LYS A 23 -7.577 -4.518 -2.167 1.00 1.53 H new ATOM 341 N ARG A 24 -5.599 -6.678 2.114 1.00 0.46 N ATOM 342 CA ARG A 24 -4.958 -7.988 2.044 1.00 0.50 C ATOM 343 C ARG A 24 -5.217 -8.797 3.312 1.00 0.52 C ATOM 344 O ARG A 24 -5.533 -9.985 3.248 1.00 0.60 O ATOM 345 CB ARG A 24 -3.452 -7.827 1.828 1.00 0.61 C ATOM 346 CG ARG A 24 -2.999 -8.178 0.421 1.00 1.15 C ATOM 347 CD ARG A 24 -1.549 -8.633 0.397 1.00 1.41 C ATOM 348 NE ARG A 24 -1.410 -9.992 -0.122 1.00 1.70 N ATOM 349 CZ ARG A 24 -0.429 -10.826 0.222 1.00 2.38 C ATOM 350 NH1 ARG A 24 0.510 -10.444 1.079 1.00 2.89 N ATOM 351 NH2 ARG A 24 -0.387 -12.046 -0.295 1.00 2.74 N ATOM 0 H ARG A 24 -4.951 -5.893 2.188 1.00 0.46 H new ATOM 0 HA ARG A 24 -5.388 -8.528 1.200 1.00 0.50 H new ATOM 0 HB2 ARG A 24 -3.170 -6.797 2.045 1.00 0.61 H new ATOM 0 HB3 ARG A 24 -2.922 -8.459 2.540 1.00 0.61 H new ATOM 0 HG2 ARG A 24 -3.635 -8.967 0.020 1.00 1.15 H new ATOM 0 HG3 ARG A 24 -3.119 -7.310 -0.228 1.00 1.15 H new ATOM 0 HD2 ARG A 24 -0.964 -7.949 -0.218 1.00 1.41 H new ATOM 0 HD3 ARG A 24 -1.138 -8.586 1.405 1.00 1.41 H new ATOM 0 HE ARG A 24 -2.107 -10.323 -0.789 1.00 1.70 H new ATOM 0 HH11 ARG A 24 0.484 -9.506 1.479 1.00 2.89 H new ATOM 0 HH12 ARG A 24 1.257 -11.088 1.337 1.00 2.89 H new ATOM 0 HH21 ARG A 24 -1.105 -12.345 -0.955 1.00 2.74 H new ATOM 0 HH22 ARG A 24 0.363 -12.685 -0.033 1.00 2.74 H new ATOM 365 N THR A 25 -5.074 -8.148 4.462 1.00 0.53 N ATOM 366 CA THR A 25 -5.283 -8.807 5.747 1.00 0.60 C ATOM 367 C THR A 25 -6.722 -9.287 5.897 1.00 0.59 C ATOM 368 O THR A 25 -6.969 -10.466 6.150 1.00 0.67 O ATOM 369 CB THR A 25 -4.940 -7.857 6.892 1.00 0.66 C ATOM 370 OG1 THR A 25 -4.105 -6.805 6.440 1.00 0.77 O ATOM 371 CG2 THR A 25 -4.237 -8.538 8.046 1.00 0.81 C ATOM 0 H THR A 25 -4.814 -7.164 4.531 1.00 0.53 H new ATOM 0 HA THR A 25 -4.624 -9.675 5.784 1.00 0.60 H new ATOM 0 HB THR A 25 -5.898 -7.476 7.246 1.00 0.66 H new ATOM 0 HG1 THR A 25 -3.898 -6.207 7.188 1.00 0.77 H new ATOM 0 HG21 THR A 25 -4.023 -7.806 8.825 1.00 0.81 H new ATOM 0 HG22 THR A 25 -4.878 -9.321 8.451 1.00 0.81 H new ATOM 0 HG23 THR A 25 -3.304 -8.978 7.695 1.00 0.81 H new ATOM 379 N ARG A 26 -7.669 -8.365 5.743 1.00 0.56 N ATOM 380 CA ARG A 26 -9.084 -8.698 5.867 1.00 0.61 C ATOM 381 C ARG A 26 -9.420 -9.921 5.023 1.00 0.58 C ATOM 382 O ARG A 26 -10.132 -10.824 5.468 1.00 0.65 O ATOM 383 CB ARG A 26 -9.952 -7.510 5.449 1.00 0.64 C ATOM 384 CG ARG A 26 -9.789 -7.115 3.991 1.00 0.59 C ATOM 385 CD ARG A 26 -10.705 -5.958 3.622 1.00 1.02 C ATOM 386 NE ARG A 26 -11.281 -6.120 2.289 1.00 1.36 N ATOM 387 CZ ARG A 26 -12.315 -6.914 2.020 1.00 1.88 C ATOM 388 NH1 ARG A 26 -12.888 -7.620 2.987 1.00 2.38 N ATOM 389 NH2 ARG A 26 -12.778 -7.002 0.781 1.00 2.54 N ATOM 0 H ARG A 26 -7.482 -7.385 5.533 1.00 0.56 H new ATOM 0 HA ARG A 26 -9.292 -8.930 6.912 1.00 0.61 H new ATOM 0 HB2 ARG A 26 -10.998 -7.753 5.635 1.00 0.64 H new ATOM 0 HB3 ARG A 26 -9.707 -6.654 6.077 1.00 0.64 H new ATOM 0 HG2 ARG A 26 -8.753 -6.835 3.802 1.00 0.59 H new ATOM 0 HG3 ARG A 26 -10.008 -7.972 3.354 1.00 0.59 H new ATOM 0 HD2 ARG A 26 -11.507 -5.882 4.357 1.00 1.02 H new ATOM 0 HD3 ARG A 26 -10.144 -5.024 3.664 1.00 1.02 H new ATOM 0 HE ARG A 26 -10.867 -5.594 1.520 1.00 1.36 H new ATOM 0 HH11 ARG A 26 -12.536 -7.556 3.942 1.00 2.38 H new ATOM 0 HH12 ARG A 26 -13.680 -8.227 2.775 1.00 2.38 H new ATOM 0 HH21 ARG A 26 -12.342 -6.461 0.034 1.00 2.54 H new ATOM 0 HH22 ARG A 26 -13.570 -7.610 0.575 1.00 2.54 H new ATOM 403 N LEU A 27 -8.886 -9.951 3.810 1.00 0.51 N ATOM 404 CA LEU A 27 -9.116 -11.072 2.913 1.00 0.51 C ATOM 405 C LEU A 27 -8.522 -12.345 3.503 1.00 0.53 C ATOM 406 O LEU A 27 -9.106 -13.423 3.393 1.00 0.59 O ATOM 407 CB LEU A 27 -8.509 -10.795 1.535 1.00 0.47 C ATOM 408 CG LEU A 27 -9.507 -10.351 0.466 1.00 0.66 C ATOM 409 CD1 LEU A 27 -10.185 -9.051 0.873 1.00 1.31 C ATOM 410 CD2 LEU A 27 -8.813 -10.194 -0.879 1.00 1.35 C ATOM 0 H LEU A 27 -8.293 -9.215 3.427 1.00 0.51 H new ATOM 0 HA LEU A 27 -10.191 -11.205 2.794 1.00 0.51 H new ATOM 0 HB2 LEU A 27 -7.745 -10.025 1.640 1.00 0.47 H new ATOM 0 HB3 LEU A 27 -8.006 -11.698 1.188 1.00 0.47 H new ATOM 0 HG LEU A 27 -10.273 -11.121 0.370 1.00 0.66 H new ATOM 0 HD11 LEU A 27 -10.892 -8.751 0.099 1.00 1.31 H new ATOM 0 HD12 LEU A 27 -10.717 -9.197 1.813 1.00 1.31 H new ATOM 0 HD13 LEU A 27 -9.433 -8.272 0.999 1.00 1.31 H new ATOM 0 HD21 LEU A 27 -9.539 -9.877 -1.628 1.00 1.35 H new ATOM 0 HD22 LEU A 27 -8.026 -9.445 -0.797 1.00 1.35 H new ATOM 0 HD23 LEU A 27 -8.377 -11.147 -1.177 1.00 1.35 H new ATOM 422 N VAL A 28 -7.364 -12.210 4.145 1.00 0.54 N ATOM 423 CA VAL A 28 -6.704 -13.352 4.765 1.00 0.62 C ATOM 424 C VAL A 28 -7.593 -13.954 5.841 1.00 0.72 C ATOM 425 O VAL A 28 -7.782 -15.169 5.898 1.00 0.79 O ATOM 426 CB VAL A 28 -5.353 -12.962 5.388 1.00 0.65 C ATOM 427 CG1 VAL A 28 -4.640 -14.189 5.939 1.00 0.77 C ATOM 428 CG2 VAL A 28 -4.480 -12.240 4.370 1.00 0.62 C ATOM 0 H VAL A 28 -6.867 -11.325 4.248 1.00 0.54 H new ATOM 0 HA VAL A 28 -6.522 -14.085 3.979 1.00 0.62 H new ATOM 0 HB VAL A 28 -5.543 -12.280 6.217 1.00 0.65 H new ATOM 0 HG11 VAL A 28 -3.687 -13.891 6.375 1.00 0.77 H new ATOM 0 HG12 VAL A 28 -5.259 -14.656 6.705 1.00 0.77 H new ATOM 0 HG13 VAL A 28 -4.463 -14.900 5.132 1.00 0.77 H new ATOM 0 HG21 VAL A 28 -3.529 -11.973 4.831 1.00 0.62 H new ATOM 0 HG22 VAL A 28 -4.299 -12.894 3.517 1.00 0.62 H new ATOM 0 HG23 VAL A 28 -4.986 -11.336 4.033 1.00 0.62 H new ATOM 438 N GLN A 29 -8.153 -13.092 6.683 1.00 0.76 N ATOM 439 CA GLN A 29 -9.043 -13.537 7.746 1.00 0.87 C ATOM 440 C GLN A 29 -10.134 -14.425 7.162 1.00 0.87 C ATOM 441 O GLN A 29 -10.607 -15.359 7.808 1.00 0.97 O ATOM 442 CB GLN A 29 -9.663 -12.336 8.464 1.00 0.95 C ATOM 443 CG GLN A 29 -9.170 -12.161 9.892 1.00 1.50 C ATOM 444 CD GLN A 29 -9.049 -10.705 10.294 1.00 1.68 C ATOM 445 OE1 GLN A 29 -10.000 -10.105 10.793 1.00 2.23 O ATOM 446 NE2 GLN A 29 -7.873 -10.126 10.076 1.00 2.15 N ATOM 0 H GLN A 29 -8.006 -12.083 6.649 1.00 0.76 H new ATOM 0 HA GLN A 29 -8.467 -14.110 8.473 1.00 0.87 H new ATOM 0 HB2 GLN A 29 -9.442 -11.431 7.898 1.00 0.95 H new ATOM 0 HB3 GLN A 29 -10.747 -12.449 8.474 1.00 0.95 H new ATOM 0 HG2 GLN A 29 -9.855 -12.666 10.573 1.00 1.50 H new ATOM 0 HG3 GLN A 29 -8.199 -12.645 9.999 1.00 1.50 H new ATOM 0 HE21 GLN A 29 -7.111 -10.661 9.660 1.00 2.15 H new ATOM 0 HE22 GLN A 29 -7.733 -9.147 10.325 1.00 2.15 H new ATOM 455 N GLN A 30 -10.515 -14.128 5.923 1.00 0.83 N ATOM 456 CA GLN A 30 -11.535 -14.901 5.230 1.00 0.93 C ATOM 457 C GLN A 30 -11.005 -16.288 4.882 1.00 0.96 C ATOM 458 O GLN A 30 -11.763 -17.256 4.836 1.00 1.09 O ATOM 459 CB GLN A 30 -11.979 -14.176 3.958 1.00 0.98 C ATOM 460 CG GLN A 30 -13.379 -14.552 3.502 1.00 1.46 C ATOM 461 CD GLN A 30 -14.451 -13.684 4.134 1.00 1.70 C ATOM 462 OE1 GLN A 30 -14.272 -13.157 5.231 1.00 2.18 O ATOM 463 NE2 GLN A 30 -15.574 -13.532 3.441 1.00 2.29 N ATOM 0 H GLN A 30 -10.130 -13.355 5.379 1.00 0.83 H new ATOM 0 HA GLN A 30 -12.395 -15.009 5.891 1.00 0.93 H new ATOM 0 HB2 GLN A 30 -11.938 -13.100 4.130 1.00 0.98 H new ATOM 0 HB3 GLN A 30 -11.273 -14.398 3.158 1.00 0.98 H new ATOM 0 HG2 GLN A 30 -13.439 -14.465 2.417 1.00 1.46 H new ATOM 0 HG3 GLN A 30 -13.570 -15.596 3.749 1.00 1.46 H new ATOM 0 HE21 GLN A 30 -15.680 -13.988 2.535 1.00 2.29 H new ATOM 0 HE22 GLN A 30 -16.331 -12.960 3.815 1.00 2.29 H new ATOM 472 N HIS A 31 -9.696 -16.381 4.645 1.00 0.87 N ATOM 473 CA HIS A 31 -9.075 -17.660 4.312 1.00 0.98 C ATOM 474 C HIS A 31 -7.744 -17.831 5.044 1.00 1.03 C ATOM 475 O HIS A 31 -6.675 -17.746 4.439 1.00 1.06 O ATOM 476 CB HIS A 31 -8.868 -17.789 2.800 1.00 0.99 C ATOM 477 CG HIS A 31 -7.888 -16.810 2.235 1.00 1.40 C ATOM 478 ND1 HIS A 31 -8.078 -15.451 2.280 1.00 1.72 N ATOM 479 CD2 HIS A 31 -6.704 -17.001 1.604 1.00 2.18 C ATOM 480 CE1 HIS A 31 -7.060 -14.845 1.701 1.00 2.19 C ATOM 481 NE2 HIS A 31 -6.208 -15.762 1.284 1.00 2.47 N ATOM 0 H HIS A 31 -9.051 -15.592 4.677 1.00 0.87 H new ATOM 0 HA HIS A 31 -9.750 -18.451 4.638 1.00 0.98 H new ATOM 0 HB2 HIS A 31 -8.527 -18.800 2.575 1.00 0.99 H new ATOM 0 HB3 HIS A 31 -9.827 -17.657 2.300 1.00 0.99 H new ATOM 0 HD1 HIS A 31 -8.882 -14.982 2.697 1.00 1.72 H new ATOM 0 HD2 HIS A 31 -6.237 -17.952 1.392 1.00 2.18 H new ATOM 0 HE1 HIS A 31 -6.943 -13.777 1.587 1.00 2.19 H new ATOM 490 N PRO A 32 -7.794 -18.078 6.364 1.00 1.13 N ATOM 491 CA PRO A 32 -6.588 -18.262 7.178 1.00 1.29 C ATOM 492 C PRO A 32 -5.870 -19.569 6.859 1.00 1.57 C ATOM 493 O PRO A 32 -6.169 -20.226 5.862 1.00 2.23 O ATOM 494 CB PRO A 32 -7.124 -18.282 8.611 1.00 1.44 C ATOM 495 CG PRO A 32 -8.536 -18.739 8.480 1.00 1.39 C ATOM 496 CD PRO A 32 -9.026 -18.198 7.165 1.00 1.19 C ATOM 0 HA PRO A 32 -5.851 -17.480 6.997 1.00 1.29 H new ATOM 0 HB2 PRO A 32 -6.546 -18.958 9.241 1.00 1.44 H new ATOM 0 HB3 PRO A 32 -7.068 -17.294 9.069 1.00 1.44 H new ATOM 0 HG2 PRO A 32 -8.598 -19.827 8.502 1.00 1.39 H new ATOM 0 HG3 PRO A 32 -9.144 -18.369 9.305 1.00 1.39 H new ATOM 0 HD2 PRO A 32 -9.745 -18.870 6.697 1.00 1.19 H new ATOM 0 HD3 PRO A 32 -9.522 -17.235 7.286 1.00 1.19 H new ATOM 504 N ARG A 33 -4.921 -19.942 7.712 1.00 1.74 N ATOM 505 CA ARG A 33 -4.161 -21.172 7.520 1.00 2.03 C ATOM 506 C ARG A 33 -3.371 -21.126 6.216 1.00 3.00 C ATOM 507 O ARG A 33 -2.389 -20.392 6.099 1.00 3.75 O ATOM 508 CB ARG A 33 -5.098 -22.382 7.519 1.00 1.88 C ATOM 509 CG ARG A 33 -6.105 -22.371 8.659 1.00 2.44 C ATOM 510 CD ARG A 33 -7.515 -22.656 8.163 1.00 3.16 C ATOM 511 NE ARG A 33 -8.239 -23.555 9.058 1.00 3.92 N ATOM 512 CZ ARG A 33 -9.553 -23.765 8.995 1.00 4.70 C ATOM 513 NH1 ARG A 33 -10.287 -23.143 8.082 1.00 4.92 N ATOM 514 NH2 ARG A 33 -10.131 -24.600 9.847 1.00 5.58 N ATOM 0 H ARG A 33 -4.660 -19.410 8.542 1.00 1.74 H new ATOM 0 HA ARG A 33 -3.458 -21.267 8.347 1.00 2.03 H new ATOM 0 HB2 ARG A 33 -5.635 -22.415 6.571 1.00 1.88 H new ATOM 0 HB3 ARG A 33 -4.502 -23.293 7.580 1.00 1.88 H new ATOM 0 HG2 ARG A 33 -5.822 -23.117 9.402 1.00 2.44 H new ATOM 0 HG3 ARG A 33 -6.082 -21.401 9.156 1.00 2.44 H new ATOM 0 HD2 ARG A 33 -8.063 -21.718 8.070 1.00 3.16 H new ATOM 0 HD3 ARG A 33 -7.467 -23.097 7.167 1.00 3.16 H new ATOM 0 HE ARG A 33 -7.707 -24.051 9.773 1.00 3.92 H new ATOM 0 HH11 ARG A 33 -9.846 -22.501 7.424 1.00 4.92 H new ATOM 0 HH12 ARG A 33 -11.293 -23.307 8.038 1.00 4.92 H new ATOM 0 HH21 ARG A 33 -9.570 -25.081 10.550 1.00 5.58 H new ATOM 0 HH22 ARG A 33 -11.137 -24.762 9.800 1.00 5.58 H new TER 528 ARG A 33 ATOM 529 N CYS B 1 -14.462 -25.881 1.559 1.00 5.15 N ATOM 530 CA CYS B 1 -15.427 -24.818 1.814 1.00 4.44 C ATOM 531 C CYS B 1 -15.008 -23.525 1.122 1.00 3.68 C ATOM 532 O CYS B 1 -15.830 -22.839 0.514 1.00 4.02 O ATOM 533 CB CYS B 1 -15.570 -24.581 3.319 1.00 4.47 C ATOM 534 SG CYS B 1 -17.255 -24.191 3.846 1.00 5.51 S ATOM 0 H1 CYS B 1 -14.826 -26.778 1.938 1.00 5.15 H new ATOM 0 H2 CYS B 1 -14.311 -25.974 0.534 1.00 5.15 H new ATOM 0 H3 CYS B 1 -13.560 -25.650 2.022 1.00 5.15 H new ATOM 0 HA CYS B 1 -16.389 -25.130 1.409 1.00 4.44 H new ATOM 0 HB2 CYS B 1 -15.231 -25.470 3.850 1.00 4.47 H new ATOM 0 HB3 CYS B 1 -14.911 -23.764 3.612 1.00 4.47 H new ATOM 0 HG CYS B 1 -17.276 -24.010 5.133 1.00 5.51 H new ATOM 540 N GLY B 2 -13.724 -23.198 1.217 1.00 3.11 N ATOM 541 CA GLY B 2 -13.217 -21.988 0.596 1.00 2.73 C ATOM 542 C GLY B 2 -11.852 -22.186 -0.031 1.00 2.20 C ATOM 543 O GLY B 2 -10.838 -22.215 0.667 1.00 2.81 O ATOM 0 H GLY B 2 -13.024 -23.750 1.713 1.00 3.11 H new ATOM 0 HA2 GLY B 2 -13.919 -21.654 -0.168 1.00 2.73 H new ATOM 0 HA3 GLY B 2 -13.159 -21.197 1.343 1.00 2.73 H new ATOM 547 N GLY B 3 -11.823 -22.323 -1.353 1.00 1.66 N ATOM 548 CA GLY B 3 -10.567 -22.517 -2.052 1.00 1.45 C ATOM 549 C GLY B 3 -9.602 -21.368 -1.840 1.00 1.30 C ATOM 550 O GLY B 3 -9.769 -20.570 -0.918 1.00 1.48 O ATOM 0 H GLY B 3 -12.648 -22.303 -1.953 1.00 1.66 H new ATOM 0 HA2 GLY B 3 -10.105 -23.443 -1.711 1.00 1.45 H new ATOM 0 HA3 GLY B 3 -10.762 -22.631 -3.118 1.00 1.45 H new ATOM 554 N ASP B 4 -8.589 -21.283 -2.695 1.00 1.06 N ATOM 555 CA ASP B 4 -7.592 -20.222 -2.599 1.00 1.10 C ATOM 556 C ASP B 4 -7.955 -19.036 -3.485 1.00 1.01 C ATOM 557 O ASP B 4 -7.121 -18.168 -3.746 1.00 1.22 O ATOM 558 CB ASP B 4 -6.219 -20.751 -2.998 1.00 1.23 C ATOM 559 CG ASP B 4 -5.746 -21.876 -2.099 1.00 1.84 C ATOM 560 OD1 ASP B 4 -6.466 -22.892 -1.991 1.00 2.34 O ATOM 561 OD2 ASP B 4 -4.656 -21.743 -1.504 1.00 2.59 O ATOM 0 H ASP B 4 -8.436 -21.936 -3.463 1.00 1.06 H new ATOM 0 HA ASP B 4 -7.568 -19.884 -1.563 1.00 1.10 H new ATOM 0 HB2 ASP B 4 -6.255 -21.105 -4.028 1.00 1.23 H new ATOM 0 HB3 ASP B 4 -5.496 -19.936 -2.966 1.00 1.23 H new ATOM 566 N ASN B 5 -9.201 -18.997 -3.940 1.00 0.92 N ATOM 567 CA ASN B 5 -9.673 -17.909 -4.792 1.00 1.02 C ATOM 568 C ASN B 5 -9.376 -16.568 -4.136 1.00 0.99 C ATOM 569 O ASN B 5 -9.149 -15.564 -4.813 1.00 1.39 O ATOM 570 CB ASN B 5 -11.173 -18.047 -5.054 1.00 1.19 C ATOM 571 CG ASN B 5 -11.546 -17.701 -6.482 1.00 1.61 C ATOM 572 OD1 ASN B 5 -12.366 -18.377 -7.104 1.00 2.22 O ATOM 573 ND2 ASN B 5 -10.942 -16.644 -7.012 1.00 1.86 N ATOM 0 H ASN B 5 -9.905 -19.706 -3.734 1.00 0.92 H new ATOM 0 HA ASN B 5 -9.149 -17.961 -5.746 1.00 1.02 H new ATOM 0 HB2 ASN B 5 -11.484 -19.069 -4.838 1.00 1.19 H new ATOM 0 HB3 ASN B 5 -11.719 -17.396 -4.371 1.00 1.19 H new ATOM 0 HD21 ASN B 5 -11.151 -16.364 -7.970 1.00 1.86 H new ATOM 0 HD22 ASN B 5 -10.269 -16.112 -6.461 1.00 1.86 H new ATOM 580 N ILE B 6 -9.366 -16.571 -2.810 1.00 0.68 N ATOM 581 CA ILE B 6 -9.082 -15.374 -2.040 1.00 0.63 C ATOM 582 C ILE B 6 -7.583 -15.111 -2.003 1.00 0.56 C ATOM 583 O ILE B 6 -7.130 -13.985 -2.203 1.00 0.53 O ATOM 584 CB ILE B 6 -9.606 -15.505 -0.600 1.00 0.67 C ATOM 585 CG1 ILE B 6 -11.050 -16.015 -0.597 1.00 0.87 C ATOM 586 CG2 ILE B 6 -9.507 -14.170 0.119 1.00 0.85 C ATOM 587 CD1 ILE B 6 -11.246 -17.268 0.229 1.00 1.57 C ATOM 0 H ILE B 6 -9.553 -17.398 -2.244 1.00 0.68 H new ATOM 0 HA ILE B 6 -9.589 -14.540 -2.526 1.00 0.63 H new ATOM 0 HB ILE B 6 -8.989 -16.230 -0.070 1.00 0.67 H new ATOM 0 HG12 ILE B 6 -11.703 -15.231 -0.214 1.00 0.87 H new ATOM 0 HG13 ILE B 6 -11.359 -16.214 -1.623 1.00 0.87 H new ATOM 0 HG21 ILE B 6 -9.881 -14.277 1.137 1.00 0.85 H new ATOM 0 HG22 ILE B 6 -8.466 -13.848 0.147 1.00 0.85 H new ATOM 0 HG23 ILE B 6 -10.103 -13.427 -0.410 1.00 0.85 H new ATOM 0 HD11 ILE B 6 -12.292 -17.572 0.186 1.00 1.57 H new ATOM 0 HD12 ILE B 6 -10.619 -18.067 -0.167 1.00 1.57 H new ATOM 0 HD13 ILE B 6 -10.969 -17.069 1.264 1.00 1.57 H new ATOM 599 N GLU B 7 -6.819 -16.172 -1.754 1.00 0.60 N ATOM 600 CA GLU B 7 -5.364 -16.079 -1.699 1.00 0.59 C ATOM 601 C GLU B 7 -4.816 -15.473 -2.984 1.00 0.57 C ATOM 602 O GLU B 7 -3.796 -14.784 -2.974 1.00 0.53 O ATOM 603 CB GLU B 7 -4.752 -17.463 -1.471 1.00 0.75 C ATOM 604 CG GLU B 7 -3.476 -17.437 -0.648 1.00 0.78 C ATOM 605 CD GLU B 7 -2.229 -17.531 -1.505 1.00 1.29 C ATOM 606 OE1 GLU B 7 -1.937 -18.635 -2.009 1.00 1.94 O ATOM 607 OE2 GLU B 7 -1.543 -16.500 -1.671 1.00 1.93 O ATOM 0 H GLU B 7 -7.186 -17.109 -1.587 1.00 0.60 H new ATOM 0 HA GLU B 7 -5.094 -15.430 -0.866 1.00 0.59 H new ATOM 0 HB2 GLU B 7 -5.484 -18.097 -0.970 1.00 0.75 H new ATOM 0 HB3 GLU B 7 -4.542 -17.921 -2.437 1.00 0.75 H new ATOM 0 HG2 GLU B 7 -3.443 -16.517 -0.064 1.00 0.78 H new ATOM 0 HG3 GLU B 7 -3.488 -18.264 0.061 1.00 0.78 H new ATOM 614 N GLN B 8 -5.507 -15.728 -4.087 1.00 0.64 N ATOM 615 CA GLN B 8 -5.100 -15.201 -5.381 1.00 0.69 C ATOM 616 C GLN B 8 -5.484 -13.731 -5.491 1.00 0.63 C ATOM 617 O GLN B 8 -4.728 -12.914 -6.019 1.00 0.67 O ATOM 618 CB GLN B 8 -5.755 -16.001 -6.507 1.00 0.82 C ATOM 619 CG GLN B 8 -5.384 -15.514 -7.899 1.00 1.18 C ATOM 620 CD GLN B 8 -6.370 -15.967 -8.957 1.00 1.54 C ATOM 621 OE1 GLN B 8 -6.992 -17.022 -8.832 1.00 2.16 O ATOM 622 NE2 GLN B 8 -6.515 -15.170 -10.010 1.00 2.22 N ATOM 0 H GLN B 8 -6.353 -16.297 -4.111 1.00 0.64 H new ATOM 0 HA GLN B 8 -4.017 -15.291 -5.472 1.00 0.69 H new ATOM 0 HB2 GLN B 8 -5.469 -17.048 -6.410 1.00 0.82 H new ATOM 0 HB3 GLN B 8 -6.838 -15.954 -6.392 1.00 0.82 H new ATOM 0 HG2 GLN B 8 -5.333 -14.425 -7.897 1.00 1.18 H new ATOM 0 HG3 GLN B 8 -4.389 -15.879 -8.155 1.00 1.18 H new ATOM 0 HE21 GLN B 8 -5.979 -14.304 -10.072 1.00 2.22 H new ATOM 0 HE22 GLN B 8 -7.162 -15.424 -10.756 1.00 2.22 H new ATOM 631 N LYS B 9 -6.664 -13.403 -4.978 1.00 0.57 N ATOM 632 CA LYS B 9 -7.156 -12.033 -5.004 1.00 0.58 C ATOM 633 C LYS B 9 -6.245 -11.119 -4.195 1.00 0.50 C ATOM 634 O LYS B 9 -5.986 -9.981 -4.586 1.00 0.59 O ATOM 635 CB LYS B 9 -8.582 -11.969 -4.455 1.00 0.64 C ATOM 636 CG LYS B 9 -9.466 -10.963 -5.174 1.00 1.01 C ATOM 637 CD LYS B 9 -10.463 -10.317 -4.223 1.00 1.26 C ATOM 638 CE LYS B 9 -11.709 -11.172 -4.059 1.00 1.86 C ATOM 639 NZ LYS B 9 -12.631 -10.616 -3.030 1.00 2.37 N ATOM 0 H LYS B 9 -7.298 -14.070 -4.538 1.00 0.57 H new ATOM 0 HA LYS B 9 -7.160 -11.692 -6.039 1.00 0.58 H new ATOM 0 HB2 LYS B 9 -9.036 -12.957 -4.529 1.00 0.64 H new ATOM 0 HB3 LYS B 9 -8.544 -11.715 -3.396 1.00 0.64 H new ATOM 0 HG2 LYS B 9 -8.845 -10.192 -5.630 1.00 1.01 H new ATOM 0 HG3 LYS B 9 -10.002 -11.460 -5.982 1.00 1.01 H new ATOM 0 HD2 LYS B 9 -9.994 -10.165 -3.251 1.00 1.26 H new ATOM 0 HD3 LYS B 9 -10.742 -9.333 -4.600 1.00 1.26 H new ATOM 0 HE2 LYS B 9 -12.230 -11.242 -5.014 1.00 1.86 H new ATOM 0 HE3 LYS B 9 -11.420 -12.185 -3.779 1.00 1.86 H new ATOM 0 HZ1 LYS B 9 -13.468 -11.227 -2.948 1.00 2.37 H new ATOM 0 HZ2 LYS B 9 -12.142 -10.573 -2.113 1.00 2.37 H new ATOM 0 HZ3 LYS B 9 -12.927 -9.659 -3.310 1.00 2.37 H new ATOM 653 N ILE B 10 -5.756 -11.626 -3.067 1.00 0.41 N ATOM 654 CA ILE B 10 -4.869 -10.847 -2.212 1.00 0.38 C ATOM 655 C ILE B 10 -3.507 -10.662 -2.861 1.00 0.36 C ATOM 656 O ILE B 10 -2.946 -9.568 -2.834 1.00 0.37 O ATOM 657 CB ILE B 10 -4.673 -11.488 -0.829 1.00 0.42 C ATOM 658 CG1 ILE B 10 -4.310 -12.969 -0.948 1.00 0.41 C ATOM 659 CG2 ILE B 10 -5.918 -11.308 0.023 1.00 0.54 C ATOM 660 CD1 ILE B 10 -3.911 -13.595 0.371 1.00 1.11 C ATOM 0 H ILE B 10 -5.958 -12.566 -2.726 1.00 0.41 H new ATOM 0 HA ILE B 10 -5.353 -9.879 -2.079 1.00 0.38 H new ATOM 0 HB ILE B 10 -3.841 -10.981 -0.340 1.00 0.42 H new ATOM 0 HG12 ILE B 10 -5.161 -13.513 -1.358 1.00 0.41 H new ATOM 0 HG13 ILE B 10 -3.490 -13.079 -1.657 1.00 0.41 H new ATOM 0 HG21 ILE B 10 -5.761 -11.768 0.999 1.00 0.54 H new ATOM 0 HG22 ILE B 10 -6.120 -10.245 0.152 1.00 0.54 H new ATOM 0 HG23 ILE B 10 -6.767 -11.782 -0.469 1.00 0.54 H new ATOM 0 HD11 ILE B 10 -3.666 -14.646 0.216 1.00 1.11 H new ATOM 0 HD12 ILE B 10 -3.041 -13.075 0.772 1.00 1.11 H new ATOM 0 HD13 ILE B 10 -4.738 -13.516 1.076 1.00 1.11 H new ATOM 672 N ASP B 11 -2.976 -11.732 -3.451 1.00 0.39 N ATOM 673 CA ASP B 11 -1.677 -11.666 -4.113 1.00 0.47 C ATOM 674 C ASP B 11 -1.636 -10.468 -5.051 1.00 0.48 C ATOM 675 O ASP B 11 -0.606 -9.804 -5.202 1.00 0.52 O ATOM 676 CB ASP B 11 -1.407 -12.954 -4.893 1.00 0.58 C ATOM 677 CG ASP B 11 0.044 -13.080 -5.314 1.00 0.84 C ATOM 678 OD1 ASP B 11 0.671 -12.040 -5.606 1.00 1.51 O ATOM 679 OD2 ASP B 11 0.554 -14.220 -5.352 1.00 1.45 O ATOM 0 H ASP B 11 -3.423 -12.648 -3.484 1.00 0.39 H new ATOM 0 HA ASP B 11 -0.902 -11.553 -3.354 1.00 0.47 H new ATOM 0 HB2 ASP B 11 -1.680 -13.812 -4.279 1.00 0.58 H new ATOM 0 HB3 ASP B 11 -2.043 -12.980 -5.778 1.00 0.58 H new ATOM 684 N ASP B 12 -2.782 -10.179 -5.655 1.00 0.48 N ATOM 685 CA ASP B 12 -2.899 -9.045 -6.556 1.00 0.53 C ATOM 686 C ASP B 12 -2.748 -7.758 -5.766 1.00 0.49 C ATOM 687 O ASP B 12 -2.003 -6.854 -6.150 1.00 0.54 O ATOM 688 CB ASP B 12 -4.249 -9.068 -7.276 1.00 0.60 C ATOM 689 CG ASP B 12 -4.150 -8.575 -8.707 1.00 0.75 C ATOM 690 OD1 ASP B 12 -3.215 -8.998 -9.417 1.00 1.32 O ATOM 691 OD2 ASP B 12 -5.010 -7.767 -9.117 1.00 1.44 O ATOM 0 H ASP B 12 -3.642 -10.715 -5.536 1.00 0.48 H new ATOM 0 HA ASP B 12 -2.112 -9.104 -7.307 1.00 0.53 H new ATOM 0 HB2 ASP B 12 -4.643 -10.084 -7.271 1.00 0.60 H new ATOM 0 HB3 ASP B 12 -4.960 -8.448 -6.729 1.00 0.60 H new ATOM 696 N ILE B 13 -3.446 -7.695 -4.638 1.00 0.43 N ATOM 697 CA ILE B 13 -3.379 -6.534 -3.768 1.00 0.44 C ATOM 698 C ILE B 13 -1.951 -6.320 -3.286 1.00 0.42 C ATOM 699 O ILE B 13 -1.445 -5.203 -3.303 1.00 0.45 O ATOM 700 CB ILE B 13 -4.312 -6.688 -2.551 1.00 0.43 C ATOM 701 CG1 ILE B 13 -5.716 -7.096 -3.001 1.00 0.46 C ATOM 702 CG2 ILE B 13 -4.359 -5.391 -1.755 1.00 0.55 C ATOM 703 CD1 ILE B 13 -6.723 -7.162 -1.872 1.00 0.50 C ATOM 0 H ILE B 13 -4.064 -8.436 -4.307 1.00 0.43 H new ATOM 0 HA ILE B 13 -3.706 -5.669 -4.346 1.00 0.44 H new ATOM 0 HB ILE B 13 -3.918 -7.474 -1.907 1.00 0.43 H new ATOM 0 HG12 ILE B 13 -6.069 -6.386 -3.749 1.00 0.46 H new ATOM 0 HG13 ILE B 13 -5.663 -8.071 -3.486 1.00 0.46 H new ATOM 0 HG21 ILE B 13 -5.022 -5.514 -0.898 1.00 0.55 H new ATOM 0 HG22 ILE B 13 -3.357 -5.142 -1.406 1.00 0.55 H new ATOM 0 HG23 ILE B 13 -4.732 -4.588 -2.390 1.00 0.55 H new ATOM 0 HD11 ILE B 13 -7.695 -7.458 -2.268 1.00 0.50 H new ATOM 0 HD12 ILE B 13 -6.394 -7.893 -1.134 1.00 0.50 H new ATOM 0 HD13 ILE B 13 -6.806 -6.183 -1.401 1.00 0.50 H new ATOM 715 N ASP B 14 -1.300 -7.406 -2.870 1.00 0.40 N ATOM 716 CA ASP B 14 0.081 -7.342 -2.395 1.00 0.43 C ATOM 717 C ASP B 14 0.959 -6.575 -3.377 1.00 0.46 C ATOM 718 O ASP B 14 1.888 -5.873 -2.977 1.00 0.48 O ATOM 719 CB ASP B 14 0.639 -8.751 -2.191 1.00 0.44 C ATOM 720 CG ASP B 14 1.580 -8.835 -1.006 1.00 0.51 C ATOM 721 OD1 ASP B 14 1.444 -8.006 -0.081 1.00 1.13 O ATOM 722 OD2 ASP B 14 2.455 -9.727 -1.004 1.00 1.32 O ATOM 0 H ASP B 14 -1.707 -8.341 -2.852 1.00 0.40 H new ATOM 0 HA ASP B 14 0.085 -6.815 -1.441 1.00 0.43 H new ATOM 0 HB2 ASP B 14 -0.186 -9.448 -2.046 1.00 0.44 H new ATOM 0 HB3 ASP B 14 1.166 -9.064 -3.092 1.00 0.44 H new ATOM 727 N HIS B 15 0.653 -6.707 -4.662 1.00 0.47 N ATOM 728 CA HIS B 15 1.407 -6.017 -5.697 1.00 0.52 C ATOM 729 C HIS B 15 1.060 -4.536 -5.705 1.00 0.53 C ATOM 730 O HIS B 15 1.875 -3.695 -6.087 1.00 0.56 O ATOM 731 CB HIS B 15 1.110 -6.629 -7.065 1.00 0.56 C ATOM 732 CG HIS B 15 2.163 -6.344 -8.090 1.00 0.76 C ATOM 733 ND1 HIS B 15 3.327 -5.661 -7.804 1.00 0.92 N ATOM 734 CD2 HIS B 15 2.227 -6.655 -9.407 1.00 1.01 C ATOM 735 CE1 HIS B 15 4.059 -5.563 -8.900 1.00 1.12 C ATOM 736 NE2 HIS B 15 3.414 -6.158 -9.886 1.00 1.19 N ATOM 0 H HIS B 15 -0.112 -7.285 -5.010 1.00 0.47 H new ATOM 0 HA HIS B 15 2.470 -6.128 -5.483 1.00 0.52 H new ATOM 0 HB2 HIS B 15 1.004 -7.708 -6.956 1.00 0.56 H new ATOM 0 HB3 HIS B 15 0.153 -6.249 -7.424 1.00 0.56 H new ATOM 0 HD2 HIS B 15 1.483 -7.194 -9.975 1.00 1.01 H new ATOM 0 HE1 HIS B 15 5.021 -5.079 -8.976 1.00 1.12 H new ATOM 0 HE2 HIS B 15 3.744 -6.236 -10.848 1.00 1.19 H new ATOM 745 N GLU B 16 -0.160 -4.223 -5.279 1.00 0.52 N ATOM 746 CA GLU B 16 -0.620 -2.844 -5.237 1.00 0.56 C ATOM 747 C GLU B 16 -0.187 -2.162 -3.945 1.00 0.57 C ATOM 748 O GLU B 16 0.110 -0.969 -3.932 1.00 0.64 O ATOM 749 CB GLU B 16 -2.143 -2.791 -5.373 1.00 0.58 C ATOM 750 CG GLU B 16 -2.693 -3.737 -6.428 1.00 0.59 C ATOM 751 CD GLU B 16 -4.187 -3.957 -6.291 1.00 1.29 C ATOM 752 OE1 GLU B 16 -4.705 -3.826 -5.162 1.00 1.99 O ATOM 753 OE2 GLU B 16 -4.838 -4.260 -7.313 1.00 2.03 O ATOM 0 H GLU B 16 -0.846 -4.907 -4.959 1.00 0.52 H new ATOM 0 HA GLU B 16 -0.168 -2.310 -6.073 1.00 0.56 H new ATOM 0 HB2 GLU B 16 -2.594 -3.032 -4.410 1.00 0.58 H new ATOM 0 HB3 GLU B 16 -2.442 -1.772 -5.619 1.00 0.58 H new ATOM 0 HG2 GLU B 16 -2.478 -3.336 -7.418 1.00 0.59 H new ATOM 0 HG3 GLU B 16 -2.180 -4.696 -6.354 1.00 0.59 H new ATOM 760 N ILE B 17 -0.150 -2.930 -2.862 1.00 0.53 N ATOM 761 CA ILE B 17 0.247 -2.406 -1.560 1.00 0.57 C ATOM 762 C ILE B 17 1.701 -1.950 -1.582 1.00 0.57 C ATOM 763 O ILE B 17 2.082 -1.007 -0.888 1.00 0.61 O ATOM 764 CB ILE B 17 0.072 -3.466 -0.455 1.00 0.58 C ATOM 765 CG1 ILE B 17 -1.323 -4.086 -0.526 1.00 0.58 C ATOM 766 CG2 ILE B 17 0.310 -2.851 0.916 1.00 0.66 C ATOM 767 CD1 ILE B 17 -1.382 -5.505 -0.006 1.00 1.06 C ATOM 0 H ILE B 17 -0.391 -3.921 -2.860 1.00 0.53 H new ATOM 0 HA ILE B 17 -0.399 -1.555 -1.344 1.00 0.57 H new ATOM 0 HB ILE B 17 0.809 -4.253 -0.613 1.00 0.58 H new ATOM 0 HG12 ILE B 17 -2.015 -3.469 0.047 1.00 0.58 H new ATOM 0 HG13 ILE B 17 -1.665 -4.073 -1.561 1.00 0.58 H new ATOM 0 HG21 ILE B 17 0.182 -3.614 1.684 1.00 0.66 H new ATOM 0 HG22 ILE B 17 1.323 -2.453 0.965 1.00 0.66 H new ATOM 0 HG23 ILE B 17 -0.405 -2.045 1.082 1.00 0.66 H new ATOM 0 HD11 ILE B 17 -2.402 -5.880 -0.087 1.00 1.06 H new ATOM 0 HD12 ILE B 17 -0.715 -6.136 -0.594 1.00 1.06 H new ATOM 0 HD13 ILE B 17 -1.071 -5.523 1.039 1.00 1.06 H new ATOM 779 N ALA B 18 2.508 -2.634 -2.387 1.00 0.53 N ATOM 780 CA ALA B 18 3.925 -2.313 -2.508 1.00 0.55 C ATOM 781 C ALA B 18 4.146 -1.127 -3.441 1.00 0.55 C ATOM 782 O ALA B 18 5.000 -0.278 -3.189 1.00 0.57 O ATOM 783 CB ALA B 18 4.696 -3.528 -3.003 1.00 0.58 C ATOM 0 H ALA B 18 2.203 -3.416 -2.967 1.00 0.53 H new ATOM 0 HA ALA B 18 4.295 -2.035 -1.521 1.00 0.55 H new ATOM 0 HB1 ALA B 18 5.753 -3.277 -3.090 1.00 0.58 H new ATOM 0 HB2 ALA B 18 4.575 -4.349 -2.296 1.00 0.58 H new ATOM 0 HB3 ALA B 18 4.313 -3.829 -3.978 1.00 0.58 H new ATOM 789 N ASP B 19 3.370 -1.075 -4.521 1.00 0.55 N ATOM 790 CA ASP B 19 3.484 0.009 -5.492 1.00 0.57 C ATOM 791 C ASP B 19 3.355 1.369 -4.811 1.00 0.55 C ATOM 792 O ASP B 19 4.111 2.296 -5.105 1.00 0.57 O ATOM 793 CB ASP B 19 2.414 -0.135 -6.575 1.00 0.61 C ATOM 794 CG ASP B 19 2.881 0.381 -7.922 1.00 0.93 C ATOM 795 OD1 ASP B 19 3.468 1.482 -7.965 1.00 1.58 O ATOM 796 OD2 ASP B 19 2.660 -0.317 -8.934 1.00 1.57 O ATOM 0 H ASP B 19 2.657 -1.769 -4.745 1.00 0.55 H new ATOM 0 HA ASP B 19 4.470 -0.053 -5.953 1.00 0.57 H new ATOM 0 HB2 ASP B 19 2.134 -1.184 -6.668 1.00 0.61 H new ATOM 0 HB3 ASP B 19 1.519 0.408 -6.272 1.00 0.61 H new ATOM 801 N LEU B 20 2.393 1.482 -3.903 1.00 0.52 N ATOM 802 CA LEU B 20 2.166 2.730 -3.181 1.00 0.52 C ATOM 803 C LEU B 20 3.319 3.030 -2.229 1.00 0.50 C ATOM 804 O LEU B 20 3.894 4.116 -2.260 1.00 0.50 O ATOM 805 CB LEU B 20 0.852 2.665 -2.402 1.00 0.57 C ATOM 806 CG LEU B 20 -0.345 2.112 -3.178 1.00 0.58 C ATOM 807 CD1 LEU B 20 -1.635 2.381 -2.421 1.00 0.63 C ATOM 808 CD2 LEU B 20 -0.411 2.716 -4.575 1.00 0.62 C ATOM 0 H LEU B 20 1.758 0.726 -3.649 1.00 0.52 H new ATOM 0 HA LEU B 20 2.106 3.534 -3.914 1.00 0.52 H new ATOM 0 HB2 LEU B 20 1.005 2.049 -1.516 1.00 0.57 H new ATOM 0 HB3 LEU B 20 0.606 3.668 -2.054 1.00 0.57 H new ATOM 0 HG LEU B 20 -0.218 1.034 -3.280 1.00 0.58 H new ATOM 0 HD11 LEU B 20 -2.478 1.982 -2.985 1.00 0.63 H new ATOM 0 HD12 LEU B 20 -1.591 1.899 -1.444 1.00 0.63 H new ATOM 0 HD13 LEU B 20 -1.762 3.456 -2.290 1.00 0.63 H new ATOM 0 HD21 LEU B 20 -1.270 2.308 -5.108 1.00 0.62 H new ATOM 0 HD22 LEU B 20 -0.512 3.799 -4.499 1.00 0.62 H new ATOM 0 HD23 LEU B 20 0.502 2.474 -5.119 1.00 0.62 H new ATOM 820 N GLN B 21 3.645 2.061 -1.378 1.00 0.51 N ATOM 821 CA GLN B 21 4.724 2.222 -0.409 1.00 0.52 C ATOM 822 C GLN B 21 6.007 2.703 -1.081 1.00 0.51 C ATOM 823 O GLN B 21 6.767 3.484 -0.505 1.00 0.51 O ATOM 824 CB GLN B 21 4.982 0.903 0.321 1.00 0.56 C ATOM 825 CG GLN B 21 5.738 1.069 1.630 1.00 0.88 C ATOM 826 CD GLN B 21 6.624 -0.119 1.946 1.00 1.31 C ATOM 827 OE1 GLN B 21 6.149 -1.156 2.413 1.00 1.98 O ATOM 828 NE2 GLN B 21 7.919 0.025 1.694 1.00 1.93 N ATOM 0 H GLN B 21 3.177 1.156 -1.340 1.00 0.51 H new ATOM 0 HA GLN B 21 4.414 2.978 0.312 1.00 0.52 H new ATOM 0 HB2 GLN B 21 4.028 0.416 0.522 1.00 0.56 H new ATOM 0 HB3 GLN B 21 5.547 0.240 -0.334 1.00 0.56 H new ATOM 0 HG2 GLN B 21 6.349 1.970 1.581 1.00 0.88 H new ATOM 0 HG3 GLN B 21 5.025 1.212 2.442 1.00 0.88 H new ATOM 0 HE21 GLN B 21 8.269 0.902 1.307 1.00 1.93 H new ATOM 0 HE22 GLN B 21 8.564 -0.741 1.887 1.00 1.93 H new ATOM 837 N ALA B 22 6.243 2.236 -2.301 1.00 0.52 N ATOM 838 CA ALA B 22 7.435 2.619 -3.050 1.00 0.55 C ATOM 839 C ALA B 22 7.341 4.063 -3.529 1.00 0.54 C ATOM 840 O ALA B 22 8.354 4.748 -3.669 1.00 0.62 O ATOM 841 CB ALA B 22 7.639 1.682 -4.230 1.00 0.60 C ATOM 0 H ALA B 22 5.625 1.591 -2.793 1.00 0.52 H new ATOM 0 HA ALA B 22 8.294 2.540 -2.384 1.00 0.55 H new ATOM 0 HB1 ALA B 22 8.532 1.979 -4.780 1.00 0.60 H new ATOM 0 HB2 ALA B 22 7.759 0.661 -3.867 1.00 0.60 H new ATOM 0 HB3 ALA B 22 6.773 1.733 -4.889 1.00 0.60 H new ATOM 847 N LYS B 23 6.118 4.521 -3.779 1.00 0.54 N ATOM 848 CA LYS B 23 5.893 5.884 -4.244 1.00 0.55 C ATOM 849 C LYS B 23 6.145 6.897 -3.130 1.00 0.49 C ATOM 850 O LYS B 23 6.603 8.011 -3.383 1.00 0.55 O ATOM 851 CB LYS B 23 4.466 6.035 -4.772 1.00 0.59 C ATOM 852 CG LYS B 23 4.315 5.651 -6.235 1.00 0.69 C ATOM 853 CD LYS B 23 3.007 4.918 -6.488 1.00 0.76 C ATOM 854 CE LYS B 23 1.887 5.884 -6.837 1.00 0.96 C ATOM 855 NZ LYS B 23 0.677 5.174 -7.337 1.00 1.43 N ATOM 0 H LYS B 23 5.268 3.968 -3.667 1.00 0.54 H new ATOM 0 HA LYS B 23 6.598 6.082 -5.052 1.00 0.55 H new ATOM 0 HB2 LYS B 23 3.798 5.417 -4.172 1.00 0.59 H new ATOM 0 HB3 LYS B 23 4.147 7.069 -4.641 1.00 0.59 H new ATOM 0 HG2 LYS B 23 4.356 6.548 -6.853 1.00 0.69 H new ATOM 0 HG3 LYS B 23 5.151 5.019 -6.534 1.00 0.69 H new ATOM 0 HD2 LYS B 23 3.140 4.204 -7.301 1.00 0.76 H new ATOM 0 HD3 LYS B 23 2.732 4.345 -5.602 1.00 0.76 H new ATOM 0 HE2 LYS B 23 1.626 6.470 -5.956 1.00 0.96 H new ATOM 0 HE3 LYS B 23 2.236 6.585 -7.595 1.00 0.96 H new ATOM 0 HZ1 LYS B 23 -0.064 5.868 -7.564 1.00 1.43 H new ATOM 0 HZ2 LYS B 23 0.920 4.634 -8.192 1.00 1.43 H new ATOM 0 HZ3 LYS B 23 0.329 4.523 -6.604 1.00 1.43 H new ATOM 869 N ARG B 24 5.840 6.506 -1.897 1.00 0.45 N ATOM 870 CA ARG B 24 6.031 7.385 -0.747 1.00 0.47 C ATOM 871 C ARG B 24 7.514 7.580 -0.439 1.00 0.52 C ATOM 872 O ARG B 24 7.958 8.694 -0.163 1.00 0.60 O ATOM 873 CB ARG B 24 5.319 6.812 0.481 1.00 0.55 C ATOM 874 CG ARG B 24 4.075 7.589 0.877 1.00 1.05 C ATOM 875 CD ARG B 24 3.791 7.469 2.366 1.00 1.09 C ATOM 876 NE ARG B 24 3.739 8.775 3.020 1.00 1.29 N ATOM 877 CZ ARG B 24 4.059 8.983 4.296 1.00 1.81 C ATOM 878 NH1 ARG B 24 4.450 7.974 5.068 1.00 2.28 N ATOM 879 NH2 ARG B 24 3.984 10.204 4.806 1.00 2.12 N ATOM 0 H ARG B 24 5.460 5.588 -1.668 1.00 0.45 H new ATOM 0 HA ARG B 24 5.602 8.356 -0.994 1.00 0.47 H new ATOM 0 HB2 ARG B 24 5.043 5.777 0.281 1.00 0.55 H new ATOM 0 HB3 ARG B 24 6.013 6.800 1.321 1.00 0.55 H new ATOM 0 HG2 ARG B 24 4.202 8.639 0.614 1.00 1.05 H new ATOM 0 HG3 ARG B 24 3.219 7.220 0.312 1.00 1.05 H new ATOM 0 HD2 ARG B 24 2.843 6.951 2.514 1.00 1.09 H new ATOM 0 HD3 ARG B 24 4.564 6.859 2.835 1.00 1.09 H new ATOM 0 HE ARG B 24 3.439 9.577 2.465 1.00 1.29 H new ATOM 0 HH11 ARG B 24 4.507 7.031 4.684 1.00 2.28 H new ATOM 0 HH12 ARG B 24 4.693 8.143 6.044 1.00 2.28 H new ATOM 0 HH21 ARG B 24 3.681 10.983 4.221 1.00 2.12 H new ATOM 0 HH22 ARG B 24 4.229 10.364 5.783 1.00 2.12 H new ATOM 893 N THR B 25 8.272 6.490 -0.482 1.00 0.52 N ATOM 894 CA THR B 25 9.702 6.540 -0.201 1.00 0.60 C ATOM 895 C THR B 25 10.431 7.409 -1.215 1.00 0.61 C ATOM 896 O THR B 25 11.098 8.378 -0.852 1.00 0.67 O ATOM 897 CB THR B 25 10.296 5.132 -0.210 1.00 0.64 C ATOM 898 OG1 THR B 25 9.280 4.156 -0.060 1.00 0.70 O ATOM 899 CG2 THR B 25 11.317 4.905 0.882 1.00 0.75 C ATOM 0 H THR B 25 7.920 5.560 -0.709 1.00 0.52 H new ATOM 0 HA THR B 25 9.831 6.980 0.788 1.00 0.60 H new ATOM 0 HB THR B 25 10.794 5.037 -1.175 1.00 0.64 H new ATOM 0 HG1 THR B 25 9.681 3.262 -0.070 1.00 0.70 H new ATOM 0 HG21 THR B 25 11.698 3.886 0.818 1.00 0.75 H new ATOM 0 HG22 THR B 25 12.141 5.609 0.762 1.00 0.75 H new ATOM 0 HG23 THR B 25 10.849 5.057 1.855 1.00 0.75 H new ATOM 907 N ARG B 26 10.302 7.056 -2.491 1.00 0.61 N ATOM 908 CA ARG B 26 10.955 7.810 -3.558 1.00 0.68 C ATOM 909 C ARG B 26 10.686 9.302 -3.403 1.00 0.64 C ATOM 910 O ARG B 26 11.553 10.136 -3.670 1.00 0.71 O ATOM 911 CB ARG B 26 10.482 7.317 -4.929 1.00 0.72 C ATOM 912 CG ARG B 26 8.996 7.516 -5.180 1.00 0.67 C ATOM 913 CD ARG B 26 8.708 7.756 -6.654 1.00 1.10 C ATOM 914 NE ARG B 26 9.440 6.830 -7.516 1.00 1.56 N ATOM 915 CZ ARG B 26 9.673 7.046 -8.808 1.00 2.14 C ATOM 916 NH1 ARG B 26 9.233 8.152 -9.394 1.00 2.60 N ATOM 917 NH2 ARG B 26 10.350 6.152 -9.517 1.00 2.89 N ATOM 0 H ARG B 26 9.754 6.257 -2.811 1.00 0.61 H new ATOM 0 HA ARG B 26 12.030 7.647 -3.486 1.00 0.68 H new ATOM 0 HB2 ARG B 26 11.044 7.838 -5.704 1.00 0.72 H new ATOM 0 HB3 ARG B 26 10.717 6.257 -5.023 1.00 0.72 H new ATOM 0 HG2 ARG B 26 8.447 6.638 -4.839 1.00 0.67 H new ATOM 0 HG3 ARG B 26 8.637 8.363 -4.595 1.00 0.67 H new ATOM 0 HD2 ARG B 26 7.638 7.651 -6.836 1.00 1.10 H new ATOM 0 HD3 ARG B 26 8.976 8.780 -6.913 1.00 1.10 H new ATOM 0 HE ARG B 26 9.793 5.967 -7.103 1.00 1.56 H new ATOM 0 HH11 ARG B 26 8.713 8.843 -8.854 1.00 2.60 H new ATOM 0 HH12 ARG B 26 9.415 8.311 -10.385 1.00 2.60 H new ATOM 0 HH21 ARG B 26 10.691 5.300 -9.072 1.00 2.89 H new ATOM 0 HH22 ARG B 26 10.529 6.316 -10.508 1.00 2.89 H new ATOM 931 N LEU B 27 9.483 9.632 -2.947 1.00 0.57 N ATOM 932 CA LEU B 27 9.106 11.019 -2.736 1.00 0.55 C ATOM 933 C LEU B 27 9.863 11.588 -1.544 1.00 0.56 C ATOM 934 O LEU B 27 10.316 12.731 -1.571 1.00 0.61 O ATOM 935 CB LEU B 27 7.599 11.138 -2.511 1.00 0.51 C ATOM 936 CG LEU B 27 6.755 11.180 -3.787 1.00 0.60 C ATOM 937 CD1 LEU B 27 5.405 10.519 -3.557 1.00 1.38 C ATOM 938 CD2 LEU B 27 6.577 12.615 -4.259 1.00 1.34 C ATOM 0 H LEU B 27 8.754 8.956 -2.717 1.00 0.57 H new ATOM 0 HA LEU B 27 9.366 11.590 -3.627 1.00 0.55 H new ATOM 0 HB2 LEU B 27 7.270 10.295 -1.904 1.00 0.51 H new ATOM 0 HB3 LEU B 27 7.403 12.042 -1.934 1.00 0.51 H new ATOM 0 HG LEU B 27 7.278 10.625 -4.566 1.00 0.60 H new ATOM 0 HD11 LEU B 27 4.819 10.559 -4.475 1.00 1.38 H new ATOM 0 HD12 LEU B 27 5.554 9.479 -3.266 1.00 1.38 H new ATOM 0 HD13 LEU B 27 4.873 11.045 -2.764 1.00 1.38 H new ATOM 0 HD21 LEU B 27 5.975 12.627 -5.167 1.00 1.34 H new ATOM 0 HD22 LEU B 27 6.076 13.194 -3.483 1.00 1.34 H new ATOM 0 HD23 LEU B 27 7.553 13.054 -4.465 1.00 1.34 H new ATOM 950 N VAL B 28 10.012 10.772 -0.502 1.00 0.57 N ATOM 951 CA VAL B 28 10.731 11.195 0.691 1.00 0.63 C ATOM 952 C VAL B 28 12.171 11.537 0.341 1.00 0.73 C ATOM 953 O VAL B 28 12.695 12.572 0.753 1.00 0.79 O ATOM 954 CB VAL B 28 10.725 10.107 1.776 1.00 0.66 C ATOM 955 CG1 VAL B 28 11.358 10.624 3.059 1.00 0.77 C ATOM 956 CG2 VAL B 28 9.308 9.610 2.031 1.00 0.63 C ATOM 0 H VAL B 28 9.646 9.821 -0.462 1.00 0.57 H new ATOM 0 HA VAL B 28 10.220 12.075 1.082 1.00 0.63 H new ATOM 0 HB VAL B 28 11.320 9.266 1.421 1.00 0.66 H new ATOM 0 HG11 VAL B 28 11.344 9.838 3.814 1.00 0.77 H new ATOM 0 HG12 VAL B 28 12.389 10.920 2.863 1.00 0.77 H new ATOM 0 HG13 VAL B 28 10.796 11.485 3.421 1.00 0.77 H new ATOM 0 HG21 VAL B 28 9.326 8.840 2.802 1.00 0.63 H new ATOM 0 HG22 VAL B 28 8.685 10.441 2.362 1.00 0.63 H new ATOM 0 HG23 VAL B 28 8.898 9.193 1.111 1.00 0.63 H new ATOM 966 N GLN B 29 12.799 10.665 -0.443 1.00 0.80 N ATOM 967 CA GLN B 29 14.174 10.883 -0.872 1.00 0.92 C ATOM 968 C GLN B 29 14.295 12.258 -1.511 1.00 0.94 C ATOM 969 O GLN B 29 15.311 12.940 -1.367 1.00 1.02 O ATOM 970 CB GLN B 29 14.604 9.799 -1.863 1.00 1.05 C ATOM 971 CG GLN B 29 15.321 8.628 -1.209 1.00 1.34 C ATOM 972 CD GLN B 29 14.653 7.298 -1.500 1.00 1.63 C ATOM 973 OE1 GLN B 29 14.707 6.795 -2.622 1.00 2.33 O ATOM 974 NE2 GLN B 29 14.019 6.720 -0.487 1.00 1.99 N ATOM 0 H GLN B 29 12.378 9.804 -0.792 1.00 0.80 H new ATOM 0 HA GLN B 29 14.830 10.831 -0.003 1.00 0.92 H new ATOM 0 HB2 GLN B 29 13.724 9.428 -2.388 1.00 1.05 H new ATOM 0 HB3 GLN B 29 15.259 10.243 -2.613 1.00 1.05 H new ATOM 0 HG2 GLN B 29 16.352 8.597 -1.560 1.00 1.34 H new ATOM 0 HG3 GLN B 29 15.356 8.785 -0.131 1.00 1.34 H new ATOM 0 HE21 GLN B 29 13.999 7.172 0.427 1.00 1.99 H new ATOM 0 HE22 GLN B 29 13.552 5.824 -0.623 1.00 1.99 H new ATOM 983 N GLN B 30 13.235 12.665 -2.204 1.00 0.93 N ATOM 984 CA GLN B 30 13.200 13.967 -2.851 1.00 1.05 C ATOM 985 C GLN B 30 13.228 15.077 -1.805 1.00 1.03 C ATOM 986 O GLN B 30 13.753 16.163 -2.054 1.00 1.16 O ATOM 987 CB GLN B 30 11.950 14.097 -3.723 1.00 1.14 C ATOM 988 CG GLN B 30 12.012 15.253 -4.707 1.00 1.56 C ATOM 989 CD GLN B 30 10.682 15.511 -5.387 1.00 1.85 C ATOM 990 OE1 GLN B 30 9.638 15.039 -4.935 1.00 2.32 O ATOM 991 NE2 GLN B 30 10.712 16.263 -6.481 1.00 2.39 N ATOM 0 H GLN B 30 12.389 12.109 -2.330 1.00 0.93 H new ATOM 0 HA GLN B 30 14.080 14.061 -3.488 1.00 1.05 H new ATOM 0 HB2 GLN B 30 11.804 13.168 -4.275 1.00 1.14 H new ATOM 0 HB3 GLN B 30 11.080 14.225 -3.079 1.00 1.14 H new ATOM 0 HG2 GLN B 30 12.329 16.155 -4.183 1.00 1.56 H new ATOM 0 HG3 GLN B 30 12.768 15.041 -5.463 1.00 1.56 H new ATOM 0 HE21 GLN B 30 11.599 16.634 -6.821 1.00 2.39 H new ATOM 0 HE22 GLN B 30 9.848 16.470 -6.982 1.00 2.39 H new ATOM 1000 N HIS B 31 12.666 14.795 -0.629 1.00 0.92 N ATOM 1001 CA HIS B 31 12.642 15.775 0.454 1.00 1.01 C ATOM 1002 C HIS B 31 12.859 15.100 1.807 1.00 1.11 C ATOM 1003 O HIS B 31 11.915 14.896 2.570 1.00 1.33 O ATOM 1004 CB HIS B 31 11.321 16.549 0.461 1.00 1.26 C ATOM 1005 CG HIS B 31 10.121 15.696 0.720 1.00 1.85 C ATOM 1006 ND1 HIS B 31 9.689 14.728 -0.154 1.00 1.98 N ATOM 1007 CD2 HIS B 31 9.254 15.673 1.762 1.00 2.73 C ATOM 1008 CE1 HIS B 31 8.608 14.149 0.333 1.00 2.71 C ATOM 1009 NE2 HIS B 31 8.325 14.700 1.497 1.00 3.18 N ATOM 0 H HIS B 31 12.225 13.903 -0.404 1.00 0.92 H new ATOM 0 HA HIS B 31 13.457 16.478 0.282 1.00 1.01 H new ATOM 0 HB2 HIS B 31 11.372 17.328 1.221 1.00 1.26 H new ATOM 0 HB3 HIS B 31 11.199 17.049 -0.500 1.00 1.26 H new ATOM 0 HD1 HIS B 31 10.134 14.493 -1.041 1.00 1.98 H new ATOM 0 HD2 HIS B 31 9.289 16.304 2.638 1.00 2.73 H new ATOM 0 HE1 HIS B 31 8.049 13.357 -0.142 1.00 2.71 H new ATOM 1018 N PRO B 32 14.117 14.743 2.124 1.00 1.38 N ATOM 1019 CA PRO B 32 14.455 14.088 3.391 1.00 1.79 C ATOM 1020 C PRO B 32 14.349 15.037 4.580 1.00 1.86 C ATOM 1021 O PRO B 32 14.091 14.612 5.706 1.00 2.31 O ATOM 1022 CB PRO B 32 15.906 13.649 3.186 1.00 2.24 C ATOM 1023 CG PRO B 32 16.451 14.603 2.181 1.00 2.17 C ATOM 1024 CD PRO B 32 15.304 14.950 1.272 1.00 1.64 C ATOM 0 HA PRO B 32 13.775 13.268 3.620 1.00 1.79 H new ATOM 0 HB2 PRO B 32 16.468 13.692 4.119 1.00 2.24 H new ATOM 0 HB3 PRO B 32 15.962 12.621 2.827 1.00 2.24 H new ATOM 0 HG2 PRO B 32 16.848 15.495 2.665 1.00 2.17 H new ATOM 0 HG3 PRO B 32 17.270 14.153 1.620 1.00 2.17 H new ATOM 0 HD2 PRO B 32 15.369 15.979 0.917 1.00 1.64 H new ATOM 0 HD3 PRO B 32 15.282 14.310 0.390 1.00 1.64 H new ATOM 1032 N ARG B 33 14.549 16.325 4.322 1.00 2.06 N ATOM 1033 CA ARG B 33 14.475 17.337 5.371 1.00 2.26 C ATOM 1034 C ARG B 33 13.261 18.238 5.172 1.00 3.01 C ATOM 1035 O ARG B 33 13.096 19.191 5.964 1.00 3.62 O ATOM 1036 CB ARG B 33 15.752 18.179 5.386 1.00 2.19 C ATOM 1037 CG ARG B 33 16.993 17.396 5.787 1.00 2.87 C ATOM 1038 CD ARG B 33 17.722 16.845 4.571 1.00 3.48 C ATOM 1039 NE ARG B 33 19.156 17.119 4.624 1.00 4.18 N ATOM 1040 CZ ARG B 33 19.684 18.334 4.496 1.00 4.96 C ATOM 1041 NH1 ARG B 33 18.900 19.390 4.310 1.00 5.21 N ATOM 1042 NH2 ARG B 33 20.999 18.495 4.555 1.00 5.81 N ATOM 0 H ARG B 33 14.764 16.693 3.395 1.00 2.06 H new ATOM 0 HA ARG B 33 14.373 16.826 6.328 1.00 2.26 H new ATOM 0 HB2 ARG B 33 15.907 18.607 4.395 1.00 2.19 H new ATOM 0 HB3 ARG B 33 15.620 19.012 6.076 1.00 2.19 H new ATOM 0 HG2 ARG B 33 17.664 18.041 6.353 1.00 2.87 H new ATOM 0 HG3 ARG B 33 16.709 16.575 6.445 1.00 2.87 H new ATOM 0 HD2 ARG B 33 17.560 15.769 4.508 1.00 3.48 H new ATOM 0 HD3 ARG B 33 17.302 17.284 3.666 1.00 3.48 H new ATOM 0 HE ARG B 33 19.790 16.333 4.768 1.00 4.18 H new ATOM 0 HH11 ARG B 33 17.888 19.272 4.265 1.00 5.21 H new ATOM 0 HH12 ARG B 33 19.310 20.319 4.213 1.00 5.21 H new ATOM 0 HH21 ARG B 33 21.606 17.688 4.698 1.00 5.81 H new ATOM 0 HH22 ARG B 33 21.404 19.426 4.457 1.00 5.81 H new TER 1056 ARG B 33