USER MOD reduce.3.24.130724 H: found=0, std=0, add=526, rem=0, adj=9 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= -0.125 X(o=-0.13,f=-0.0044) USER MOD Single : A 8 GLN : amide:sc= -0.133 K(o=-0.13,f=-1) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS : no HD1:sc= -0.0816 X(o=-0.082,f=-0.41) USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 LYS NZ :NH3+ 161:sc= -0.0296 (180deg=-0.248) USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.343 USER MOD Single : A 29 GLN : amide:sc= -1.35 K(o=-1.4,f=-2.3!) USER MOD Single : A 30 GLN : amide:sc= -0.242 K(o=-0.24,f=-0.97) USER MOD Single : A 31 HIS : no HE2:sc= -7.06! C(o=-7.1!,f=-13!) USER MOD Single : B 1 CYS N :NH3+ -130:sc= 0.0586 (180deg=0) USER MOD Single : B 1 CYS SG : rot 180:sc= 0.0142 USER MOD Single : B 5 ASN : amide:sc= -0.362 X(o=-0.36,f=-0.1) USER MOD Single : B 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 HIS : no HE2:sc= -0.0708 K(o=-0.071,f=-0.83) USER MOD Single : B 21 GLN : amide:sc= -0.295 K(o=-0.3,f=-2.6!) USER MOD Single : B 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 25 THR OG1 : rot 180:sc= -0.0635 USER MOD Single : B 29 GLN : amide:sc=-0.00726 K(o=-0.0073,f=-2.7!) USER MOD Single : B 30 GLN : amide:sc= -0.285 X(o=-0.29,f=-0.031) USER MOD Single : B 31 HIS : no HE2:sc= -7.95! C(o=-7.9!,f=-14!) USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 1 10.007 14.861 6.209 1.00 4.71 N ATOM 2 CA CYS A 1 9.021 15.971 6.299 1.00 4.20 C ATOM 3 C CYS A 1 9.447 17.158 5.442 1.00 3.72 C ATOM 4 O CYS A 1 10.088 18.089 5.927 1.00 4.32 O ATOM 5 CB CYS A 1 8.898 16.395 7.764 1.00 4.04 C ATOM 6 SG CYS A 1 7.422 17.373 8.127 1.00 4.94 S ATOM 0 H1 CYS A 1 9.691 14.067 6.802 1.00 4.71 H new ATOM 0 H2 CYS A 1 10.085 14.545 5.221 1.00 4.71 H new ATOM 0 H3 CYS A 1 10.935 15.193 6.541 1.00 4.71 H new ATOM 0 HA CYS A 1 8.057 15.625 5.925 1.00 4.20 H new ATOM 0 HB2 CYS A 1 8.893 15.503 8.390 1.00 4.04 H new ATOM 0 HB3 CYS A 1 9.780 16.973 8.039 1.00 4.04 H new ATOM 0 HG CYS A 1 7.406 17.682 9.390 1.00 4.94 H new ATOM 12 N GLY A 2 9.088 17.115 4.162 1.00 3.04 N ATOM 13 CA GLY A 2 9.442 18.193 3.258 1.00 2.89 C ATOM 14 C GLY A 2 8.780 19.506 3.629 1.00 2.25 C ATOM 15 O GLY A 2 9.391 20.568 3.520 1.00 2.72 O ATOM 0 H GLY A 2 8.559 16.354 3.736 1.00 3.04 H new ATOM 0 HA2 GLY A 2 10.524 18.323 3.259 1.00 2.89 H new ATOM 0 HA3 GLY A 2 9.155 17.920 2.243 1.00 2.89 H new ATOM 19 N GLY A 3 7.524 19.433 4.065 1.00 1.84 N ATOM 20 CA GLY A 3 6.797 20.634 4.442 1.00 1.56 C ATOM 21 C GLY A 3 6.887 21.718 3.386 1.00 1.41 C ATOM 22 O GLY A 3 7.180 22.873 3.694 1.00 1.64 O ATOM 0 H GLY A 3 6.998 18.565 4.164 1.00 1.84 H new ATOM 0 HA2 GLY A 3 5.750 20.383 4.613 1.00 1.56 H new ATOM 0 HA3 GLY A 3 7.192 21.014 5.384 1.00 1.56 H new ATOM 26 N ASP A 4 6.645 21.340 2.136 1.00 1.16 N ATOM 27 CA ASP A 4 6.710 22.281 1.026 1.00 1.32 C ATOM 28 C ASP A 4 5.561 22.052 0.048 1.00 1.31 C ATOM 29 O ASP A 4 4.529 22.720 0.115 1.00 1.72 O ATOM 30 CB ASP A 4 8.051 22.133 0.303 1.00 1.55 C ATOM 31 CG ASP A 4 9.209 22.693 1.107 1.00 2.07 C ATOM 32 OD1 ASP A 4 9.152 23.884 1.477 1.00 2.71 O ATOM 33 OD2 ASP A 4 10.170 21.940 1.366 1.00 2.50 O ATOM 0 H ASP A 4 6.402 20.387 1.866 1.00 1.16 H new ATOM 0 HA ASP A 4 6.621 23.292 1.424 1.00 1.32 H new ATOM 0 HB2 ASP A 4 8.234 21.079 0.095 1.00 1.55 H new ATOM 0 HB3 ASP A 4 8.000 22.644 -0.659 1.00 1.55 H new ATOM 38 N ASN A 5 5.753 21.100 -0.855 1.00 1.09 N ATOM 39 CA ASN A 5 4.748 20.758 -1.853 1.00 1.25 C ATOM 40 C ASN A 5 4.795 19.263 -2.133 1.00 1.13 C ATOM 41 O ASN A 5 3.762 18.596 -2.190 1.00 1.48 O ATOM 42 CB ASN A 5 4.984 21.547 -3.143 1.00 1.53 C ATOM 43 CG ASN A 5 4.061 22.742 -3.267 1.00 2.03 C ATOM 44 OD1 ASN A 5 4.513 23.884 -3.344 1.00 2.64 O ATOM 45 ND2 ASN A 5 2.758 22.485 -3.286 1.00 2.27 N ATOM 0 H ASN A 5 6.606 20.545 -0.917 1.00 1.09 H new ATOM 0 HA ASN A 5 3.762 21.020 -1.468 1.00 1.25 H new ATOM 0 HB2 ASN A 5 6.019 21.886 -3.174 1.00 1.53 H new ATOM 0 HB3 ASN A 5 4.839 20.889 -4.000 1.00 1.53 H new ATOM 0 HD21 ASN A 5 2.088 23.250 -3.367 1.00 2.27 H new ATOM 0 HD22 ASN A 5 2.427 21.522 -3.220 1.00 2.27 H new ATOM 52 N ILE A 6 6.008 18.743 -2.283 1.00 0.80 N ATOM 53 CA ILE A 6 6.204 17.323 -2.531 1.00 0.71 C ATOM 54 C ILE A 6 5.715 16.517 -1.338 1.00 0.63 C ATOM 55 O ILE A 6 4.971 15.548 -1.485 1.00 0.60 O ATOM 56 CB ILE A 6 7.688 16.982 -2.776 1.00 0.75 C ATOM 57 CG1 ILE A 6 8.363 18.061 -3.632 1.00 1.10 C ATOM 58 CG2 ILE A 6 7.805 15.618 -3.432 1.00 1.03 C ATOM 59 CD1 ILE A 6 9.741 17.675 -4.129 1.00 1.80 C ATOM 0 H ILE A 6 6.870 19.286 -2.237 1.00 0.80 H new ATOM 0 HA ILE A 6 5.635 17.070 -3.426 1.00 0.71 H new ATOM 0 HB ILE A 6 8.202 16.952 -1.815 1.00 0.75 H new ATOM 0 HG12 ILE A 6 7.727 18.282 -4.489 1.00 1.10 H new ATOM 0 HG13 ILE A 6 8.441 18.978 -3.048 1.00 1.10 H new ATOM 0 HG21 ILE A 6 8.856 15.385 -3.602 1.00 1.03 H new ATOM 0 HG22 ILE A 6 7.366 14.862 -2.781 1.00 1.03 H new ATOM 0 HG23 ILE A 6 7.277 15.626 -4.385 1.00 1.03 H new ATOM 0 HD11 ILE A 6 10.153 18.488 -4.726 1.00 1.80 H new ATOM 0 HD12 ILE A 6 10.394 17.483 -3.278 1.00 1.80 H new ATOM 0 HD13 ILE A 6 9.668 16.776 -4.741 1.00 1.80 H new ATOM 71 N GLU A 7 6.142 16.939 -0.155 1.00 0.66 N ATOM 72 CA GLU A 7 5.758 16.277 1.088 1.00 0.63 C ATOM 73 C GLU A 7 4.247 16.072 1.159 1.00 0.59 C ATOM 74 O GLU A 7 3.769 15.109 1.758 1.00 0.56 O ATOM 75 CB GLU A 7 6.228 17.095 2.294 1.00 0.76 C ATOM 76 CG GLU A 7 5.848 16.479 3.632 1.00 0.78 C ATOM 77 CD GLU A 7 4.599 17.099 4.225 1.00 1.41 C ATOM 78 OE1 GLU A 7 4.350 18.296 3.969 1.00 2.15 O ATOM 79 OE2 GLU A 7 3.868 16.387 4.947 1.00 1.96 O ATOM 0 H GLU A 7 6.758 17.742 -0.028 1.00 0.66 H new ATOM 0 HA GLU A 7 6.239 15.299 1.108 1.00 0.63 H new ATOM 0 HB2 GLU A 7 7.312 17.205 2.248 1.00 0.76 H new ATOM 0 HB3 GLU A 7 5.803 18.097 2.231 1.00 0.76 H new ATOM 0 HG2 GLU A 7 5.692 15.408 3.503 1.00 0.78 H new ATOM 0 HG3 GLU A 7 6.676 16.599 4.331 1.00 0.78 H new ATOM 86 N GLN A 8 3.501 16.977 0.538 1.00 0.64 N ATOM 87 CA GLN A 8 2.046 16.885 0.527 1.00 0.64 C ATOM 88 C GLN A 8 1.591 15.826 -0.469 1.00 0.58 C ATOM 89 O GLN A 8 0.615 15.111 -0.236 1.00 0.60 O ATOM 90 CB GLN A 8 1.428 18.238 0.174 1.00 0.74 C ATOM 91 CG GLN A 8 -0.054 18.333 0.499 1.00 1.08 C ATOM 92 CD GLN A 8 -0.312 18.881 1.889 1.00 1.55 C ATOM 93 OE1 GLN A 8 0.364 19.807 2.339 1.00 2.21 O ATOM 94 NE2 GLN A 8 -1.292 18.311 2.578 1.00 2.21 N ATOM 0 H GLN A 8 3.878 17.781 0.036 1.00 0.64 H new ATOM 0 HA GLN A 8 1.711 16.598 1.524 1.00 0.64 H new ATOM 0 HB2 GLN A 8 1.960 19.023 0.712 1.00 0.74 H new ATOM 0 HB3 GLN A 8 1.571 18.427 -0.890 1.00 0.74 H new ATOM 0 HG2 GLN A 8 -0.543 18.972 -0.236 1.00 1.08 H new ATOM 0 HG3 GLN A 8 -0.505 17.345 0.413 1.00 1.08 H new ATOM 0 HE21 GLN A 8 -1.827 17.546 2.166 1.00 2.21 H new ATOM 0 HE22 GLN A 8 -1.511 18.638 3.519 1.00 2.21 H new ATOM 103 N LYS A 9 2.313 15.730 -1.580 1.00 0.56 N ATOM 104 CA LYS A 9 1.997 14.758 -2.619 1.00 0.54 C ATOM 105 C LYS A 9 2.050 13.338 -2.065 1.00 0.47 C ATOM 106 O LYS A 9 1.193 12.508 -2.371 1.00 0.52 O ATOM 107 CB LYS A 9 2.971 14.900 -3.788 1.00 0.59 C ATOM 108 CG LYS A 9 2.409 14.414 -5.114 1.00 0.86 C ATOM 109 CD LYS A 9 3.369 14.692 -6.259 1.00 1.16 C ATOM 110 CE LYS A 9 2.760 14.320 -7.602 1.00 1.65 C ATOM 111 NZ LYS A 9 3.078 12.918 -7.987 1.00 2.42 N ATOM 0 H LYS A 9 3.123 16.315 -1.784 1.00 0.56 H new ATOM 0 HA LYS A 9 0.985 14.953 -2.973 1.00 0.54 H new ATOM 0 HB2 LYS A 9 3.256 15.947 -3.886 1.00 0.59 H new ATOM 0 HB3 LYS A 9 3.880 14.342 -3.562 1.00 0.59 H new ATOM 0 HG2 LYS A 9 2.210 13.344 -5.056 1.00 0.86 H new ATOM 0 HG3 LYS A 9 1.456 14.906 -5.309 1.00 0.86 H new ATOM 0 HD2 LYS A 9 3.638 15.748 -6.261 1.00 1.16 H new ATOM 0 HD3 LYS A 9 4.290 14.129 -6.108 1.00 1.16 H new ATOM 0 HE2 LYS A 9 1.678 14.448 -7.558 1.00 1.65 H new ATOM 0 HE3 LYS A 9 3.130 15.000 -8.369 1.00 1.65 H new ATOM 0 HZ1 LYS A 9 2.645 12.704 -8.908 1.00 2.42 H new ATOM 0 HZ2 LYS A 9 4.109 12.802 -8.054 1.00 2.42 H new ATOM 0 HZ3 LYS A 9 2.702 12.267 -7.268 1.00 2.42 H new ATOM 125 N ILE A 10 3.061 13.066 -1.248 1.00 0.42 N ATOM 126 CA ILE A 10 3.217 11.745 -0.654 1.00 0.38 C ATOM 127 C ILE A 10 2.113 11.460 0.352 1.00 0.38 C ATOM 128 O ILE A 10 1.557 10.365 0.373 1.00 0.38 O ATOM 129 CB ILE A 10 4.577 11.573 0.044 1.00 0.40 C ATOM 130 CG1 ILE A 10 4.881 12.755 0.964 1.00 0.44 C ATOM 131 CG2 ILE A 10 5.681 11.397 -0.984 1.00 0.46 C ATOM 132 CD1 ILE A 10 6.114 12.550 1.817 1.00 0.95 C ATOM 0 H ILE A 10 3.781 13.739 -0.983 1.00 0.42 H new ATOM 0 HA ILE A 10 3.158 11.036 -1.480 1.00 0.38 H new ATOM 0 HB ILE A 10 4.528 10.676 0.661 1.00 0.40 H new ATOM 0 HG12 ILE A 10 5.011 13.652 0.359 1.00 0.44 H new ATOM 0 HG13 ILE A 10 4.024 12.930 1.614 1.00 0.44 H new ATOM 0 HG21 ILE A 10 6.637 11.277 -0.474 1.00 0.46 H new ATOM 0 HG22 ILE A 10 5.478 10.513 -1.588 1.00 0.46 H new ATOM 0 HG23 ILE A 10 5.722 12.275 -1.628 1.00 0.46 H new ATOM 0 HD11 ILE A 10 6.271 13.426 2.446 1.00 0.95 H new ATOM 0 HD12 ILE A 10 5.978 11.671 2.447 1.00 0.95 H new ATOM 0 HD13 ILE A 10 6.982 12.405 1.173 1.00 0.95 H new ATOM 144 N ASP A 11 1.789 12.451 1.182 1.00 0.41 N ATOM 145 CA ASP A 11 0.738 12.290 2.182 1.00 0.46 C ATOM 146 C ASP A 11 -0.505 11.689 1.538 1.00 0.46 C ATOM 147 O ASP A 11 -1.216 10.883 2.142 1.00 0.50 O ATOM 148 CB ASP A 11 0.399 13.637 2.822 1.00 0.54 C ATOM 149 CG ASP A 11 -0.386 13.483 4.110 1.00 0.75 C ATOM 150 OD1 ASP A 11 -0.346 12.384 4.703 1.00 1.32 O ATOM 151 OD2 ASP A 11 -1.042 14.462 4.526 1.00 1.48 O ATOM 0 H ASP A 11 2.237 13.367 1.181 1.00 0.41 H new ATOM 0 HA ASP A 11 1.097 11.616 2.960 1.00 0.46 H new ATOM 0 HB2 ASP A 11 1.321 14.182 3.024 1.00 0.54 H new ATOM 0 HB3 ASP A 11 -0.178 14.236 2.117 1.00 0.54 H new ATOM 156 N ASP A 12 -0.738 12.071 0.288 1.00 0.46 N ATOM 157 CA ASP A 12 -1.873 11.557 -0.462 1.00 0.51 C ATOM 158 C ASP A 12 -1.670 10.076 -0.734 1.00 0.48 C ATOM 159 O ASP A 12 -2.567 9.259 -0.519 1.00 0.52 O ATOM 160 CB ASP A 12 -2.037 12.321 -1.779 1.00 0.56 C ATOM 161 CG ASP A 12 -3.139 13.360 -1.711 1.00 0.70 C ATOM 162 OD1 ASP A 12 -2.986 14.340 -0.952 1.00 1.41 O ATOM 163 OD2 ASP A 12 -4.155 13.193 -2.418 1.00 1.28 O ATOM 0 H ASP A 12 -0.156 12.734 -0.225 1.00 0.46 H new ATOM 0 HA ASP A 12 -2.780 11.695 0.126 1.00 0.51 H new ATOM 0 HB2 ASP A 12 -1.096 12.809 -2.032 1.00 0.56 H new ATOM 0 HB3 ASP A 12 -2.256 11.615 -2.580 1.00 0.56 H new ATOM 168 N ILE A 13 -0.470 9.736 -1.189 1.00 0.43 N ATOM 169 CA ILE A 13 -0.127 8.354 -1.470 1.00 0.44 C ATOM 170 C ILE A 13 -0.254 7.510 -0.209 1.00 0.44 C ATOM 171 O ILE A 13 -0.867 6.449 -0.224 1.00 0.47 O ATOM 172 CB ILE A 13 1.308 8.228 -2.019 1.00 0.42 C ATOM 173 CG1 ILE A 13 1.523 9.203 -3.179 1.00 0.44 C ATOM 174 CG2 ILE A 13 1.585 6.796 -2.458 1.00 0.48 C ATOM 175 CD1 ILE A 13 2.864 9.049 -3.864 1.00 0.47 C ATOM 0 H ILE A 13 0.281 10.402 -1.370 1.00 0.43 H new ATOM 0 HA ILE A 13 -0.823 7.994 -2.228 1.00 0.44 H new ATOM 0 HB ILE A 13 2.009 8.483 -1.224 1.00 0.42 H new ATOM 0 HG12 ILE A 13 0.731 9.059 -3.914 1.00 0.44 H new ATOM 0 HG13 ILE A 13 1.431 10.223 -2.806 1.00 0.44 H new ATOM 0 HG21 ILE A 13 2.602 6.724 -2.843 1.00 0.48 H new ATOM 0 HG22 ILE A 13 1.471 6.126 -1.606 1.00 0.48 H new ATOM 0 HG23 ILE A 13 0.880 6.512 -3.240 1.00 0.48 H new ATOM 0 HD11 ILE A 13 2.944 9.773 -4.675 1.00 0.47 H new ATOM 0 HD12 ILE A 13 3.663 9.222 -3.143 1.00 0.47 H new ATOM 0 HD13 ILE A 13 2.952 8.041 -4.268 1.00 0.47 H new ATOM 187 N ASP A 14 0.323 7.999 0.887 1.00 0.43 N ATOM 188 CA ASP A 14 0.272 7.295 2.166 1.00 0.47 C ATOM 189 C ASP A 14 -1.152 6.858 2.493 1.00 0.51 C ATOM 190 O ASP A 14 -1.363 5.822 3.125 1.00 0.55 O ATOM 191 CB ASP A 14 0.811 8.188 3.285 1.00 0.49 C ATOM 192 CG ASP A 14 1.532 7.397 4.358 1.00 0.61 C ATOM 193 OD1 ASP A 14 2.185 6.388 4.015 1.00 1.29 O ATOM 194 OD2 ASP A 14 1.445 7.785 5.542 1.00 1.26 O ATOM 0 H ASP A 14 0.832 8.882 0.914 1.00 0.43 H new ATOM 0 HA ASP A 14 0.896 6.405 2.086 1.00 0.47 H new ATOM 0 HB2 ASP A 14 1.493 8.926 2.861 1.00 0.49 H new ATOM 0 HB3 ASP A 14 -0.014 8.739 3.736 1.00 0.49 H new ATOM 199 N HIS A 15 -2.125 7.647 2.052 1.00 0.51 N ATOM 200 CA HIS A 15 -3.525 7.333 2.292 1.00 0.56 C ATOM 201 C HIS A 15 -3.980 6.210 1.369 1.00 0.57 C ATOM 202 O HIS A 15 -4.884 5.442 1.702 1.00 0.62 O ATOM 203 CB HIS A 15 -4.393 8.572 2.072 1.00 0.59 C ATOM 204 CG HIS A 15 -5.777 8.439 2.630 1.00 0.73 C ATOM 205 ND1 HIS A 15 -6.130 7.468 3.543 1.00 0.87 N ATOM 206 CD2 HIS A 15 -6.898 9.162 2.400 1.00 0.98 C ATOM 207 CE1 HIS A 15 -7.409 7.599 3.849 1.00 1.04 C ATOM 208 NE2 HIS A 15 -7.897 8.620 3.170 1.00 1.11 N ATOM 0 H HIS A 15 -1.969 8.507 1.527 1.00 0.51 H new ATOM 0 HA HIS A 15 -3.633 7.006 3.326 1.00 0.56 H new ATOM 0 HB2 HIS A 15 -3.906 9.433 2.530 1.00 0.59 H new ATOM 0 HB3 HIS A 15 -4.459 8.775 1.003 1.00 0.59 H new ATOM 0 HD2 HIS A 15 -6.989 10.008 1.735 1.00 0.98 H new ATOM 0 HE1 HIS A 15 -7.961 6.976 4.538 1.00 1.04 H new ATOM 0 HE2 HIS A 15 -8.860 8.953 3.211 1.00 1.11 H new ATOM 217 N GLU A 16 -3.346 6.124 0.205 1.00 0.54 N ATOM 218 CA GLU A 16 -3.681 5.101 -0.773 1.00 0.57 C ATOM 219 C GLU A 16 -2.934 3.803 -0.485 1.00 0.57 C ATOM 220 O GLU A 16 -3.461 2.712 -0.698 1.00 0.63 O ATOM 221 CB GLU A 16 -3.352 5.593 -2.183 1.00 0.56 C ATOM 222 CG GLU A 16 -3.779 7.028 -2.440 1.00 0.57 C ATOM 223 CD GLU A 16 -5.251 7.145 -2.783 1.00 1.30 C ATOM 224 OE1 GLU A 16 -5.595 7.009 -3.976 1.00 1.99 O ATOM 225 OE2 GLU A 16 -6.060 7.372 -1.859 1.00 2.07 O ATOM 0 H GLU A 16 -2.596 6.753 -0.083 1.00 0.54 H new ATOM 0 HA GLU A 16 -4.750 4.902 -0.704 1.00 0.57 H new ATOM 0 HB2 GLU A 16 -2.278 5.507 -2.348 1.00 0.56 H new ATOM 0 HB3 GLU A 16 -3.839 4.942 -2.909 1.00 0.56 H new ATOM 0 HG2 GLU A 16 -3.566 7.630 -1.557 1.00 0.57 H new ATOM 0 HG3 GLU A 16 -3.186 7.439 -3.257 1.00 0.57 H new ATOM 232 N ILE A 17 -1.706 3.931 0.004 1.00 0.54 N ATOM 233 CA ILE A 17 -0.882 2.774 0.325 1.00 0.57 C ATOM 234 C ILE A 17 -1.506 1.962 1.454 1.00 0.59 C ATOM 235 O ILE A 17 -1.384 0.737 1.499 1.00 0.62 O ATOM 236 CB ILE A 17 0.541 3.197 0.743 1.00 0.59 C ATOM 237 CG1 ILE A 17 1.122 4.190 -0.263 1.00 0.57 C ATOM 238 CG2 ILE A 17 1.444 1.977 0.867 1.00 0.66 C ATOM 239 CD1 ILE A 17 2.133 5.138 0.340 1.00 0.94 C ATOM 0 H ILE A 17 -1.258 4.829 0.187 1.00 0.54 H new ATOM 0 HA ILE A 17 -0.822 2.164 -0.576 1.00 0.57 H new ATOM 0 HB ILE A 17 0.483 3.685 1.716 1.00 0.59 H new ATOM 0 HG12 ILE A 17 1.594 3.638 -1.076 1.00 0.57 H new ATOM 0 HG13 ILE A 17 0.309 4.769 -0.701 1.00 0.57 H new ATOM 0 HG21 ILE A 17 2.444 2.293 1.163 1.00 0.66 H new ATOM 0 HG22 ILE A 17 1.040 1.300 1.620 1.00 0.66 H new ATOM 0 HG23 ILE A 17 1.495 1.463 -0.093 1.00 0.66 H new ATOM 0 HD11 ILE A 17 2.503 5.814 -0.431 1.00 0.94 H new ATOM 0 HD12 ILE A 17 1.661 5.717 1.134 1.00 0.94 H new ATOM 0 HD13 ILE A 17 2.965 4.568 0.753 1.00 0.94 H new ATOM 251 N ALA A 18 -2.176 2.660 2.367 1.00 0.58 N ATOM 252 CA ALA A 18 -2.824 2.017 3.503 1.00 0.61 C ATOM 253 C ALA A 18 -4.162 1.408 3.103 1.00 0.62 C ATOM 254 O ALA A 18 -4.532 0.334 3.579 1.00 0.66 O ATOM 255 CB ALA A 18 -3.011 3.020 4.634 1.00 0.65 C ATOM 0 H ALA A 18 -2.284 3.674 2.341 1.00 0.58 H new ATOM 0 HA ALA A 18 -2.181 1.208 3.849 1.00 0.61 H new ATOM 0 HB1 ALA A 18 -3.496 2.530 5.478 1.00 0.65 H new ATOM 0 HB2 ALA A 18 -2.039 3.402 4.946 1.00 0.65 H new ATOM 0 HB3 ALA A 18 -3.632 3.846 4.288 1.00 0.65 H new ATOM 261 N ASP A 19 -4.887 2.098 2.227 1.00 0.61 N ATOM 262 CA ASP A 19 -6.187 1.621 1.765 1.00 0.64 C ATOM 263 C ASP A 19 -6.082 0.198 1.225 1.00 0.61 C ATOM 264 O ASP A 19 -6.919 -0.655 1.522 1.00 0.66 O ATOM 265 CB ASP A 19 -6.740 2.550 0.684 1.00 0.66 C ATOM 266 CG ASP A 19 -8.240 2.739 0.796 1.00 1.09 C ATOM 267 OD1 ASP A 19 -8.988 1.902 0.249 1.00 1.64 O ATOM 268 OD2 ASP A 19 -8.667 3.725 1.434 1.00 1.79 O ATOM 0 H ASP A 19 -4.597 2.988 1.823 1.00 0.61 H new ATOM 0 HA ASP A 19 -6.869 1.619 2.615 1.00 0.64 H new ATOM 0 HB2 ASP A 19 -6.248 3.520 0.756 1.00 0.66 H new ATOM 0 HB3 ASP A 19 -6.500 2.143 -0.298 1.00 0.66 H new ATOM 273 N LEU A 20 -5.045 -0.052 0.433 1.00 0.56 N ATOM 274 CA LEU A 20 -4.828 -1.372 -0.145 1.00 0.54 C ATOM 275 C LEU A 20 -4.449 -2.382 0.932 1.00 0.52 C ATOM 276 O LEU A 20 -5.030 -3.463 1.016 1.00 0.50 O ATOM 277 CB LEU A 20 -3.736 -1.314 -1.216 1.00 0.58 C ATOM 278 CG LEU A 20 -3.816 -0.119 -2.169 1.00 0.58 C ATOM 279 CD1 LEU A 20 -2.918 -0.345 -3.373 1.00 0.63 C ATOM 280 CD2 LEU A 20 -5.250 0.130 -2.612 1.00 0.62 C ATOM 0 H LEU A 20 -4.342 0.642 0.177 1.00 0.56 H new ATOM 0 HA LEU A 20 -5.761 -1.694 -0.608 1.00 0.54 H new ATOM 0 HB2 LEU A 20 -2.765 -1.298 -0.721 1.00 0.58 H new ATOM 0 HB3 LEU A 20 -3.779 -2.230 -1.805 1.00 0.58 H new ATOM 0 HG LEU A 20 -3.470 0.767 -1.636 1.00 0.58 H new ATOM 0 HD11 LEU A 20 -2.985 0.513 -4.043 1.00 0.63 H new ATOM 0 HD12 LEU A 20 -1.887 -0.467 -3.040 1.00 0.63 H new ATOM 0 HD13 LEU A 20 -3.237 -1.243 -3.901 1.00 0.63 H new ATOM 0 HD21 LEU A 20 -5.279 0.984 -3.288 1.00 0.62 H new ATOM 0 HD22 LEU A 20 -5.631 -0.753 -3.126 1.00 0.62 H new ATOM 0 HD23 LEU A 20 -5.870 0.337 -1.739 1.00 0.62 H new ATOM 292 N GLN A 21 -3.466 -2.021 1.754 1.00 0.54 N ATOM 293 CA GLN A 21 -3.004 -2.896 2.828 1.00 0.55 C ATOM 294 C GLN A 21 -4.171 -3.381 3.685 1.00 0.53 C ATOM 295 O GLN A 21 -4.168 -4.511 4.172 1.00 0.53 O ATOM 296 CB GLN A 21 -1.983 -2.166 3.703 1.00 0.60 C ATOM 297 CG GLN A 21 -1.081 -3.101 4.493 1.00 0.87 C ATOM 298 CD GLN A 21 -0.064 -2.355 5.334 1.00 1.25 C ATOM 299 OE1 GLN A 21 0.786 -1.637 4.810 1.00 1.99 O ATOM 300 NE2 GLN A 21 -0.147 -2.524 6.649 1.00 1.74 N ATOM 0 H GLN A 21 -2.975 -1.129 1.697 1.00 0.54 H new ATOM 0 HA GLN A 21 -2.530 -3.765 2.372 1.00 0.55 H new ATOM 0 HB2 GLN A 21 -1.366 -1.527 3.071 1.00 0.60 H new ATOM 0 HB3 GLN A 21 -2.512 -1.513 4.397 1.00 0.60 H new ATOM 0 HG2 GLN A 21 -1.693 -3.729 5.141 1.00 0.87 H new ATOM 0 HG3 GLN A 21 -0.560 -3.766 3.804 1.00 0.87 H new ATOM 0 HE21 GLN A 21 -0.868 -3.129 7.041 1.00 1.74 H new ATOM 0 HE22 GLN A 21 0.511 -2.048 7.267 1.00 1.74 H new ATOM 309 N ALA A 22 -5.166 -2.519 3.863 1.00 0.55 N ATOM 310 CA ALA A 22 -6.340 -2.861 4.657 1.00 0.57 C ATOM 311 C ALA A 22 -7.197 -3.901 3.945 1.00 0.55 C ATOM 312 O ALA A 22 -7.789 -4.773 4.581 1.00 0.65 O ATOM 313 CB ALA A 22 -7.157 -1.613 4.955 1.00 0.65 C ATOM 0 H ALA A 22 -5.183 -1.579 3.468 1.00 0.55 H new ATOM 0 HA ALA A 22 -6.000 -3.291 5.599 1.00 0.57 H new ATOM 0 HB1 ALA A 22 -8.031 -1.883 5.548 1.00 0.65 H new ATOM 0 HB2 ALA A 22 -6.546 -0.902 5.511 1.00 0.65 H new ATOM 0 HB3 ALA A 22 -7.481 -1.158 4.019 1.00 0.65 H new ATOM 319 N LYS A 23 -7.257 -3.800 2.622 1.00 0.53 N ATOM 320 CA LYS A 23 -8.042 -4.732 1.819 1.00 0.55 C ATOM 321 C LYS A 23 -7.461 -6.140 1.892 1.00 0.50 C ATOM 322 O LYS A 23 -8.191 -7.128 1.810 1.00 0.57 O ATOM 323 CB LYS A 23 -8.091 -4.265 0.365 1.00 0.61 C ATOM 324 CG LYS A 23 -9.155 -3.213 0.098 1.00 0.70 C ATOM 325 CD LYS A 23 -8.730 -2.258 -1.006 1.00 0.79 C ATOM 326 CE LYS A 23 -9.059 -2.816 -2.380 1.00 0.96 C ATOM 327 NZ LYS A 23 -10.524 -2.817 -2.645 1.00 1.53 N ATOM 0 H LYS A 23 -6.772 -3.083 2.082 1.00 0.53 H new ATOM 0 HA LYS A 23 -9.054 -4.756 2.222 1.00 0.55 H new ATOM 0 HB2 LYS A 23 -7.117 -3.862 0.089 1.00 0.61 H new ATOM 0 HB3 LYS A 23 -8.274 -5.126 -0.278 1.00 0.61 H new ATOM 0 HG2 LYS A 23 -10.089 -3.701 -0.181 1.00 0.70 H new ATOM 0 HG3 LYS A 23 -9.350 -2.651 1.011 1.00 0.70 H new ATOM 0 HD2 LYS A 23 -9.230 -1.299 -0.872 1.00 0.79 H new ATOM 0 HD3 LYS A 23 -7.659 -2.071 -0.935 1.00 0.79 H new ATOM 0 HE2 LYS A 23 -8.553 -2.224 -3.143 1.00 0.96 H new ATOM 0 HE3 LYS A 23 -8.675 -3.833 -2.460 1.00 0.96 H new ATOM 0 HZ1 LYS A 23 -10.692 -2.891 -3.669 1.00 1.53 H new ATOM 0 HZ2 LYS A 23 -10.963 -3.627 -2.163 1.00 1.53 H new ATOM 0 HZ3 LYS A 23 -10.942 -1.934 -2.289 1.00 1.53 H new ATOM 341 N ARG A 24 -6.143 -6.225 2.042 1.00 0.46 N ATOM 342 CA ARG A 24 -5.465 -7.516 2.121 1.00 0.50 C ATOM 343 C ARG A 24 -5.699 -8.178 3.476 1.00 0.52 C ATOM 344 O ARG A 24 -6.002 -9.368 3.551 1.00 0.60 O ATOM 345 CB ARG A 24 -3.965 -7.340 1.882 1.00 0.61 C ATOM 346 CG ARG A 24 -3.503 -7.851 0.528 1.00 1.15 C ATOM 347 CD ARG A 24 -2.046 -8.285 0.562 1.00 1.41 C ATOM 348 NE ARG A 24 -1.883 -9.690 0.195 1.00 1.70 N ATOM 349 CZ ARG A 24 -0.906 -10.471 0.652 1.00 2.38 C ATOM 350 NH1 ARG A 24 0.009 -9.990 1.485 1.00 2.89 N ATOM 351 NH2 ARG A 24 -0.841 -11.739 0.270 1.00 2.74 N ATOM 0 H ARG A 24 -5.524 -5.418 2.111 1.00 0.46 H new ATOM 0 HA ARG A 24 -5.880 -8.162 1.347 1.00 0.50 H new ATOM 0 HB2 ARG A 24 -3.713 -6.283 1.968 1.00 0.61 H new ATOM 0 HB3 ARG A 24 -3.416 -7.863 2.665 1.00 0.61 H new ATOM 0 HG2 ARG A 24 -4.127 -8.691 0.223 1.00 1.15 H new ATOM 0 HG3 ARG A 24 -3.633 -7.069 -0.221 1.00 1.15 H new ATOM 0 HD2 ARG A 24 -1.467 -7.663 -0.120 1.00 1.41 H new ATOM 0 HD3 ARG A 24 -1.643 -8.123 1.562 1.00 1.41 H new ATOM 0 HE ARG A 24 -2.559 -10.098 -0.451 1.00 1.70 H new ATOM 0 HH11 ARG A 24 -0.033 -9.015 1.780 1.00 2.89 H new ATOM 0 HH12 ARG A 24 0.754 -10.596 1.830 1.00 2.89 H new ATOM 0 HH21 ARG A 24 -1.538 -12.114 -0.373 1.00 2.74 H new ATOM 0 HH22 ARG A 24 -0.094 -12.339 0.619 1.00 2.74 H new ATOM 365 N THR A 25 -5.550 -7.400 4.544 1.00 0.53 N ATOM 366 CA THR A 25 -5.737 -7.912 5.897 1.00 0.60 C ATOM 367 C THR A 25 -7.151 -8.440 6.093 1.00 0.59 C ATOM 368 O THR A 25 -7.346 -9.594 6.476 1.00 0.67 O ATOM 369 CB THR A 25 -5.453 -6.817 6.922 1.00 0.66 C ATOM 370 OG1 THR A 25 -4.626 -5.809 6.365 1.00 0.77 O ATOM 371 CG2 THR A 25 -4.774 -7.328 8.173 1.00 0.81 C ATOM 0 H THR A 25 -5.300 -6.412 4.498 1.00 0.53 H new ATOM 0 HA THR A 25 -5.036 -8.734 6.042 1.00 0.60 H new ATOM 0 HB THR A 25 -6.430 -6.419 7.196 1.00 0.66 H new ATOM 0 HG1 THR A 25 -4.457 -5.116 7.037 1.00 0.77 H new ATOM 0 HG21 THR A 25 -4.602 -6.498 8.858 1.00 0.81 H new ATOM 0 HG22 THR A 25 -5.410 -8.070 8.655 1.00 0.81 H new ATOM 0 HG23 THR A 25 -3.820 -7.784 7.909 1.00 0.81 H new ATOM 379 N ARG A 26 -8.136 -7.589 5.829 1.00 0.56 N ATOM 380 CA ARG A 26 -9.536 -7.973 5.977 1.00 0.61 C ATOM 381 C ARG A 26 -9.806 -9.286 5.253 1.00 0.58 C ATOM 382 O ARG A 26 -10.485 -10.173 5.775 1.00 0.65 O ATOM 383 CB ARG A 26 -10.453 -6.873 5.438 1.00 0.64 C ATOM 384 CG ARG A 26 -10.143 -6.468 4.006 1.00 0.59 C ATOM 385 CD ARG A 26 -11.077 -7.150 3.019 1.00 1.02 C ATOM 386 NE ARG A 26 -12.447 -6.653 3.131 1.00 1.36 N ATOM 387 CZ ARG A 26 -13.512 -7.305 2.668 1.00 1.88 C ATOM 388 NH1 ARG A 26 -13.370 -8.477 2.062 1.00 2.38 N ATOM 389 NH2 ARG A 26 -14.721 -6.781 2.811 1.00 2.54 N ATOM 0 H ARG A 26 -7.992 -6.630 5.512 1.00 0.56 H new ATOM 0 HA ARG A 26 -9.745 -8.110 7.038 1.00 0.61 H new ATOM 0 HB2 ARG A 26 -11.487 -7.214 5.494 1.00 0.64 H new ATOM 0 HB3 ARG A 26 -10.371 -5.996 6.080 1.00 0.64 H new ATOM 0 HG2 ARG A 26 -10.233 -5.386 3.905 1.00 0.59 H new ATOM 0 HG3 ARG A 26 -9.111 -6.726 3.769 1.00 0.59 H new ATOM 0 HD2 ARG A 26 -10.714 -6.988 2.004 1.00 1.02 H new ATOM 0 HD3 ARG A 26 -11.066 -8.226 3.193 1.00 1.02 H new ATOM 0 HE ARG A 26 -12.596 -5.755 3.590 1.00 1.36 H new ATOM 0 HH11 ARG A 26 -12.441 -8.883 1.949 1.00 2.38 H new ATOM 0 HH12 ARG A 26 -14.190 -8.972 1.710 1.00 2.38 H new ATOM 0 HH21 ARG A 26 -14.835 -5.880 3.275 1.00 2.54 H new ATOM 0 HH22 ARG A 26 -15.538 -7.279 2.457 1.00 2.54 H new ATOM 403 N LEU A 27 -9.251 -9.411 4.053 1.00 0.51 N ATOM 404 CA LEU A 27 -9.415 -10.620 3.266 1.00 0.51 C ATOM 405 C LEU A 27 -8.771 -11.801 3.980 1.00 0.53 C ATOM 406 O LEU A 27 -9.290 -12.915 3.952 1.00 0.59 O ATOM 407 CB LEU A 27 -8.796 -10.445 1.878 1.00 0.47 C ATOM 408 CG LEU A 27 -9.710 -9.795 0.838 1.00 0.66 C ATOM 409 CD1 LEU A 27 -8.926 -9.450 -0.419 1.00 1.31 C ATOM 410 CD2 LEU A 27 -10.875 -10.715 0.505 1.00 1.35 C ATOM 0 H LEU A 27 -8.685 -8.689 3.607 1.00 0.51 H new ATOM 0 HA LEU A 27 -10.481 -10.815 3.149 1.00 0.51 H new ATOM 0 HB2 LEU A 27 -7.893 -9.842 1.973 1.00 0.47 H new ATOM 0 HB3 LEU A 27 -8.488 -11.423 1.508 1.00 0.47 H new ATOM 0 HG LEU A 27 -10.109 -8.872 1.258 1.00 0.66 H new ATOM 0 HD11 LEU A 27 -9.592 -8.988 -1.148 1.00 1.31 H new ATOM 0 HD12 LEU A 27 -8.125 -8.755 -0.169 1.00 1.31 H new ATOM 0 HD13 LEU A 27 -8.499 -10.359 -0.842 1.00 1.31 H new ATOM 0 HD21 LEU A 27 -11.515 -10.237 -0.236 1.00 1.35 H new ATOM 0 HD22 LEU A 27 -10.494 -11.654 0.104 1.00 1.35 H new ATOM 0 HD23 LEU A 27 -11.452 -10.914 1.408 1.00 1.35 H new ATOM 422 N VAL A 28 -7.642 -11.544 4.638 1.00 0.54 N ATOM 423 CA VAL A 28 -6.942 -12.588 5.374 1.00 0.62 C ATOM 424 C VAL A 28 -7.797 -13.085 6.527 1.00 0.72 C ATOM 425 O VAL A 28 -7.946 -14.289 6.732 1.00 0.79 O ATOM 426 CB VAL A 28 -5.595 -12.091 5.927 1.00 0.65 C ATOM 427 CG1 VAL A 28 -4.826 -13.235 6.571 1.00 0.77 C ATOM 428 CG2 VAL A 28 -4.771 -11.434 4.828 1.00 0.62 C ATOM 0 H VAL A 28 -7.197 -10.627 4.675 1.00 0.54 H new ATOM 0 HA VAL A 28 -6.750 -13.401 4.674 1.00 0.62 H new ATOM 0 HB VAL A 28 -5.794 -11.342 6.693 1.00 0.65 H new ATOM 0 HG11 VAL A 28 -3.876 -12.864 6.956 1.00 0.77 H new ATOM 0 HG12 VAL A 28 -5.412 -13.651 7.390 1.00 0.77 H new ATOM 0 HG13 VAL A 28 -4.638 -14.011 5.829 1.00 0.77 H new ATOM 0 HG21 VAL A 28 -3.823 -11.090 5.241 1.00 0.62 H new ATOM 0 HG22 VAL A 28 -4.581 -12.157 4.035 1.00 0.62 H new ATOM 0 HG23 VAL A 28 -5.319 -10.584 4.421 1.00 0.62 H new ATOM 438 N GLN A 29 -8.372 -12.144 7.270 1.00 0.76 N ATOM 439 CA GLN A 29 -9.232 -12.482 8.396 1.00 0.87 C ATOM 440 C GLN A 29 -10.301 -13.476 7.958 1.00 0.87 C ATOM 441 O GLN A 29 -10.747 -14.315 8.740 1.00 0.97 O ATOM 442 CB GLN A 29 -9.887 -11.222 8.967 1.00 0.95 C ATOM 443 CG GLN A 29 -8.929 -10.346 9.758 1.00 1.50 C ATOM 444 CD GLN A 29 -9.109 -8.869 9.462 1.00 1.68 C ATOM 445 OE1 GLN A 29 -10.223 -8.403 9.222 1.00 2.23 O ATOM 446 NE2 GLN A 29 -8.009 -8.125 9.475 1.00 2.15 N ATOM 0 H GLN A 29 -8.257 -11.143 7.112 1.00 0.76 H new ATOM 0 HA GLN A 29 -8.621 -12.939 9.175 1.00 0.87 H new ATOM 0 HB2 GLN A 29 -10.309 -10.639 8.149 1.00 0.95 H new ATOM 0 HB3 GLN A 29 -10.717 -11.513 9.611 1.00 0.95 H new ATOM 0 HG2 GLN A 29 -9.079 -10.520 10.824 1.00 1.50 H new ATOM 0 HG3 GLN A 29 -7.904 -10.636 9.529 1.00 1.50 H new ATOM 0 HE21 GLN A 29 -7.106 -8.553 9.679 1.00 2.15 H new ATOM 0 HE22 GLN A 29 -8.067 -7.125 9.281 1.00 2.15 H new ATOM 455 N GLN A 30 -10.696 -13.377 6.691 1.00 0.83 N ATOM 456 CA GLN A 30 -11.699 -14.270 6.132 1.00 0.93 C ATOM 457 C GLN A 30 -11.104 -15.653 5.883 1.00 0.96 C ATOM 458 O GLN A 30 -11.805 -16.662 5.961 1.00 1.09 O ATOM 459 CB GLN A 30 -12.252 -13.698 4.826 1.00 0.98 C ATOM 460 CG GLN A 30 -12.996 -12.385 5.005 1.00 1.46 C ATOM 461 CD GLN A 30 -14.268 -12.540 5.816 1.00 1.70 C ATOM 462 OE1 GLN A 30 -14.226 -12.670 7.039 1.00 2.18 O ATOM 463 NE2 GLN A 30 -15.408 -12.530 5.135 1.00 2.29 N ATOM 0 H GLN A 30 -10.334 -12.686 6.034 1.00 0.83 H new ATOM 0 HA GLN A 30 -12.514 -14.363 6.850 1.00 0.93 H new ATOM 0 HB2 GLN A 30 -11.429 -13.547 4.127 1.00 0.98 H new ATOM 0 HB3 GLN A 30 -12.924 -14.428 4.375 1.00 0.98 H new ATOM 0 HG2 GLN A 30 -12.342 -11.665 5.497 1.00 1.46 H new ATOM 0 HG3 GLN A 30 -13.242 -11.975 4.026 1.00 1.46 H new ATOM 0 HE21 GLN A 30 -15.395 -12.420 4.121 1.00 2.29 H new ATOM 0 HE22 GLN A 30 -16.296 -12.633 5.626 1.00 2.29 H new ATOM 472 N HIS A 31 -9.804 -15.696 5.592 1.00 0.87 N ATOM 473 CA HIS A 31 -9.124 -16.964 5.342 1.00 0.98 C ATOM 474 C HIS A 31 -7.695 -16.938 5.889 1.00 1.03 C ATOM 475 O HIS A 31 -6.729 -17.046 5.135 1.00 1.06 O ATOM 476 CB HIS A 31 -9.113 -17.288 3.846 1.00 0.99 C ATOM 477 CG HIS A 31 -8.276 -16.355 3.028 1.00 1.40 C ATOM 478 ND1 HIS A 31 -8.648 -15.059 2.756 1.00 1.72 N ATOM 479 CD2 HIS A 31 -7.082 -16.538 2.415 1.00 2.18 C ATOM 480 CE1 HIS A 31 -7.724 -14.486 2.008 1.00 2.19 C ATOM 481 NE2 HIS A 31 -6.761 -15.360 1.788 1.00 2.47 N ATOM 0 H HIS A 31 -9.205 -14.873 5.524 1.00 0.87 H new ATOM 0 HA HIS A 31 -9.676 -17.746 5.863 1.00 0.98 H new ATOM 0 HB2 HIS A 31 -8.746 -18.305 3.708 1.00 0.99 H new ATOM 0 HB3 HIS A 31 -10.137 -17.264 3.472 1.00 0.99 H new ATOM 0 HD1 HIS A 31 -9.504 -14.611 3.082 1.00 1.72 H new ATOM 0 HD2 HIS A 31 -6.492 -17.443 2.419 1.00 2.18 H new ATOM 0 HE1 HIS A 31 -7.752 -13.472 1.638 1.00 2.19 H new ATOM 490 N PRO A 32 -7.545 -16.796 7.217 1.00 1.13 N ATOM 491 CA PRO A 32 -6.231 -16.757 7.864 1.00 1.29 C ATOM 492 C PRO A 32 -5.567 -18.130 7.912 1.00 1.57 C ATOM 493 O PRO A 32 -4.342 -18.238 7.913 1.00 2.23 O ATOM 494 CB PRO A 32 -6.548 -16.266 9.275 1.00 1.44 C ATOM 495 CG PRO A 32 -7.946 -16.716 9.524 1.00 1.39 C ATOM 496 CD PRO A 32 -8.645 -16.661 8.193 1.00 1.19 C ATOM 0 HA PRO A 32 -5.528 -16.122 7.325 1.00 1.29 H new ATOM 0 HB2 PRO A 32 -5.859 -16.689 10.006 1.00 1.44 H new ATOM 0 HB3 PRO A 32 -6.462 -15.182 9.346 1.00 1.44 H new ATOM 0 HG2 PRO A 32 -7.963 -17.727 9.932 1.00 1.39 H new ATOM 0 HG3 PRO A 32 -8.440 -16.071 10.250 1.00 1.39 H new ATOM 0 HD2 PRO A 32 -9.374 -17.465 8.089 1.00 1.19 H new ATOM 0 HD3 PRO A 32 -9.184 -15.723 8.062 1.00 1.19 H new ATOM 504 N ARG A 33 -6.388 -19.175 7.953 1.00 1.74 N ATOM 505 CA ARG A 33 -5.881 -20.542 8.003 1.00 2.03 C ATOM 506 C ARG A 33 -5.584 -21.062 6.601 1.00 3.00 C ATOM 507 O ARG A 33 -4.964 -20.374 5.790 1.00 3.75 O ATOM 508 CB ARG A 33 -6.891 -21.457 8.695 1.00 1.88 C ATOM 509 CG ARG A 33 -7.473 -20.868 9.970 1.00 2.44 C ATOM 510 CD ARG A 33 -6.390 -20.574 10.994 1.00 3.16 C ATOM 511 NE ARG A 33 -6.810 -20.918 12.350 1.00 3.92 N ATOM 512 CZ ARG A 33 -6.813 -22.158 12.834 1.00 4.70 C ATOM 513 NH1 ARG A 33 -6.421 -23.175 12.075 1.00 4.92 N ATOM 514 NH2 ARG A 33 -7.209 -22.383 14.079 1.00 5.58 N ATOM 0 H ARG A 33 -7.405 -19.102 7.953 1.00 1.74 H new ATOM 0 HA ARG A 33 -4.953 -20.539 8.575 1.00 2.03 H new ATOM 0 HB2 ARG A 33 -7.704 -21.677 8.002 1.00 1.88 H new ATOM 0 HB3 ARG A 33 -6.408 -22.405 8.930 1.00 1.88 H new ATOM 0 HG2 ARG A 33 -8.011 -19.950 9.735 1.00 2.44 H new ATOM 0 HG3 ARG A 33 -8.198 -21.563 10.395 1.00 2.44 H new ATOM 0 HD2 ARG A 33 -5.490 -21.134 10.740 1.00 3.16 H new ATOM 0 HD3 ARG A 33 -6.130 -19.516 10.953 1.00 3.16 H new ATOM 0 HE ARG A 33 -7.119 -20.163 12.962 1.00 3.92 H new ATOM 0 HH11 ARG A 33 -6.116 -23.008 11.116 1.00 4.92 H new ATOM 0 HH12 ARG A 33 -6.425 -24.123 12.451 1.00 4.92 H new ATOM 0 HH21 ARG A 33 -7.512 -21.606 14.666 1.00 5.58 H new ATOM 0 HH22 ARG A 33 -7.211 -23.333 14.450 1.00 5.58 H new TER 528 ARG A 33 ATOM 529 N CYS B 1 -9.708 -22.006 3.516 1.00 5.15 N ATOM 530 CA CYS B 1 -8.252 -22.015 3.420 1.00 4.44 C ATOM 531 C CYS B 1 -7.780 -21.167 2.243 1.00 3.68 C ATOM 532 O CYS B 1 -8.589 -20.646 1.476 1.00 4.02 O ATOM 533 CB CYS B 1 -7.739 -23.447 3.270 1.00 4.47 C ATOM 534 SG CYS B 1 -6.182 -23.767 4.132 1.00 5.51 S ATOM 0 H1 CYS B 1 -9.990 -21.778 4.491 1.00 5.15 H new ATOM 0 H2 CYS B 1 -10.094 -21.291 2.867 1.00 5.15 H new ATOM 0 H3 CYS B 1 -10.079 -22.943 3.259 1.00 5.15 H new ATOM 0 HA CYS B 1 -7.849 -21.587 4.338 1.00 4.44 H new ATOM 0 HB2 CYS B 1 -8.497 -24.134 3.645 1.00 4.47 H new ATOM 0 HB3 CYS B 1 -7.607 -23.665 2.210 1.00 4.47 H new ATOM 0 HG CYS B 1 -5.831 -25.005 3.948 1.00 5.51 H new ATOM 540 N GLY B 2 -6.465 -21.034 2.107 1.00 3.11 N ATOM 541 CA GLY B 2 -5.908 -20.249 1.021 1.00 2.73 C ATOM 542 C GLY B 2 -5.795 -21.041 -0.267 1.00 2.20 C ATOM 543 O GLY B 2 -6.435 -22.081 -0.420 1.00 2.81 O ATOM 0 H GLY B 2 -5.775 -21.456 2.729 1.00 3.11 H new ATOM 0 HA2 GLY B 2 -6.534 -19.373 0.852 1.00 2.73 H new ATOM 0 HA3 GLY B 2 -4.921 -19.885 1.308 1.00 2.73 H new ATOM 547 N GLY B 3 -4.980 -20.546 -1.197 1.00 1.66 N ATOM 548 CA GLY B 3 -4.802 -21.225 -2.471 1.00 1.45 C ATOM 549 C GLY B 3 -6.119 -21.652 -3.090 1.00 1.30 C ATOM 550 O GLY B 3 -6.240 -22.762 -3.607 1.00 1.48 O ATOM 0 H GLY B 3 -4.440 -19.687 -1.091 1.00 1.66 H new ATOM 0 HA2 GLY B 3 -4.277 -20.564 -3.161 1.00 1.45 H new ATOM 0 HA3 GLY B 3 -4.171 -22.102 -2.327 1.00 1.45 H new ATOM 554 N ASP B 4 -7.111 -20.770 -3.022 1.00 1.06 N ATOM 555 CA ASP B 4 -8.430 -21.061 -3.566 1.00 1.10 C ATOM 556 C ASP B 4 -8.902 -19.940 -4.490 1.00 1.01 C ATOM 557 O ASP B 4 -8.731 -20.005 -5.707 1.00 1.22 O ATOM 558 CB ASP B 4 -9.427 -21.253 -2.422 1.00 1.23 C ATOM 559 CG ASP B 4 -9.234 -22.572 -1.699 1.00 1.84 C ATOM 560 OD1 ASP B 4 -8.153 -23.180 -1.850 1.00 2.59 O ATOM 561 OD2 ASP B 4 -10.163 -22.997 -0.981 1.00 2.34 O ATOM 0 H ASP B 4 -7.025 -19.848 -2.595 1.00 1.06 H new ATOM 0 HA ASP B 4 -8.368 -21.978 -4.152 1.00 1.10 H new ATOM 0 HB2 ASP B 4 -9.321 -20.434 -1.711 1.00 1.23 H new ATOM 0 HB3 ASP B 4 -10.442 -21.204 -2.817 1.00 1.23 H new ATOM 566 N ASN B 5 -9.492 -18.913 -3.893 1.00 0.92 N ATOM 567 CA ASN B 5 -9.990 -17.762 -4.634 1.00 1.02 C ATOM 568 C ASN B 5 -9.712 -16.493 -3.844 1.00 0.99 C ATOM 569 O ASN B 5 -9.233 -15.498 -4.387 1.00 1.39 O ATOM 570 CB ASN B 5 -11.490 -17.903 -4.903 1.00 1.19 C ATOM 571 CG ASN B 5 -11.784 -18.345 -6.323 1.00 1.61 C ATOM 572 OD1 ASN B 5 -12.551 -19.282 -6.548 1.00 2.22 O ATOM 573 ND2 ASN B 5 -11.172 -17.673 -7.291 1.00 1.86 N ATOM 0 H ASN B 5 -9.638 -18.854 -2.885 1.00 0.92 H new ATOM 0 HA ASN B 5 -9.477 -17.708 -5.594 1.00 1.02 H new ATOM 0 HB2 ASN B 5 -11.915 -18.625 -4.205 1.00 1.19 H new ATOM 0 HB3 ASN B 5 -11.982 -16.949 -4.713 1.00 1.19 H new ATOM 0 HD21 ASN B 5 -11.330 -17.927 -8.266 1.00 1.86 H new ATOM 0 HD22 ASN B 5 -10.544 -16.903 -7.059 1.00 1.86 H new ATOM 580 N ILE B 6 -9.996 -16.550 -2.546 1.00 0.68 N ATOM 581 CA ILE B 6 -9.755 -15.421 -1.662 1.00 0.63 C ATOM 582 C ILE B 6 -8.267 -15.125 -1.610 1.00 0.56 C ATOM 583 O ILE B 6 -7.834 -13.985 -1.781 1.00 0.53 O ATOM 584 CB ILE B 6 -10.246 -15.697 -0.227 1.00 0.67 C ATOM 585 CG1 ILE B 6 -11.566 -16.479 -0.240 1.00 0.87 C ATOM 586 CG2 ILE B 6 -10.397 -14.390 0.529 1.00 0.85 C ATOM 587 CD1 ILE B 6 -12.261 -16.532 1.105 1.00 1.57 C ATOM 0 H ILE B 6 -10.394 -17.369 -2.085 1.00 0.68 H new ATOM 0 HA ILE B 6 -10.309 -14.571 -2.061 1.00 0.63 H new ATOM 0 HB ILE B 6 -9.504 -16.311 0.283 1.00 0.67 H new ATOM 0 HG12 ILE B 6 -12.239 -16.025 -0.968 1.00 0.87 H new ATOM 0 HG13 ILE B 6 -11.371 -17.497 -0.577 1.00 0.87 H new ATOM 0 HG21 ILE B 6 -10.744 -14.594 1.542 1.00 0.85 H new ATOM 0 HG22 ILE B 6 -9.434 -13.881 0.571 1.00 0.85 H new ATOM 0 HG23 ILE B 6 -11.121 -13.756 0.018 1.00 0.85 H new ATOM 0 HD11 ILE B 6 -13.186 -17.102 1.014 1.00 1.57 H new ATOM 0 HD12 ILE B 6 -11.608 -17.013 1.833 1.00 1.57 H new ATOM 0 HD13 ILE B 6 -12.490 -15.519 1.437 1.00 1.57 H new ATOM 599 N GLU B 7 -7.493 -16.175 -1.372 1.00 0.60 N ATOM 600 CA GLU B 7 -6.041 -16.063 -1.296 1.00 0.59 C ATOM 601 C GLU B 7 -5.472 -15.448 -2.569 1.00 0.57 C ATOM 602 O GLU B 7 -4.473 -14.730 -2.531 1.00 0.53 O ATOM 603 CB GLU B 7 -5.417 -17.437 -1.056 1.00 0.75 C ATOM 604 CG GLU B 7 -4.249 -17.406 -0.084 1.00 0.78 C ATOM 605 CD GLU B 7 -2.936 -17.799 -0.735 1.00 1.29 C ATOM 606 OE1 GLU B 7 -2.820 -18.959 -1.185 1.00 1.94 O ATOM 607 OE2 GLU B 7 -2.023 -16.948 -0.794 1.00 1.93 O ATOM 0 H GLU B 7 -7.848 -17.120 -1.227 1.00 0.60 H new ATOM 0 HA GLU B 7 -5.796 -15.408 -0.460 1.00 0.59 H new ATOM 0 HB2 GLU B 7 -6.181 -18.113 -0.673 1.00 0.75 H new ATOM 0 HB3 GLU B 7 -5.078 -17.845 -2.008 1.00 0.75 H new ATOM 0 HG2 GLU B 7 -4.157 -16.404 0.335 1.00 0.78 H new ATOM 0 HG3 GLU B 7 -4.455 -18.081 0.747 1.00 0.78 H new ATOM 614 N GLN B 8 -6.115 -15.729 -3.696 1.00 0.64 N ATOM 615 CA GLN B 8 -5.672 -15.196 -4.978 1.00 0.69 C ATOM 616 C GLN B 8 -6.059 -13.727 -5.105 1.00 0.63 C ATOM 617 O GLN B 8 -5.327 -12.929 -5.692 1.00 0.67 O ATOM 618 CB GLN B 8 -6.282 -15.998 -6.128 1.00 0.82 C ATOM 619 CG GLN B 8 -5.347 -16.171 -7.313 1.00 1.18 C ATOM 620 CD GLN B 8 -5.929 -17.063 -8.391 1.00 1.54 C ATOM 621 OE1 GLN B 8 -6.813 -16.653 -9.143 1.00 2.16 O ATOM 622 NE2 GLN B 8 -5.436 -18.293 -8.471 1.00 2.22 N ATOM 0 H GLN B 8 -6.943 -16.322 -3.748 1.00 0.64 H new ATOM 0 HA GLN B 8 -4.586 -15.279 -5.028 1.00 0.69 H new ATOM 0 HB2 GLN B 8 -6.573 -16.982 -5.759 1.00 0.82 H new ATOM 0 HB3 GLN B 8 -7.192 -15.501 -6.464 1.00 0.82 H new ATOM 0 HG2 GLN B 8 -5.122 -15.193 -7.739 1.00 1.18 H new ATOM 0 HG3 GLN B 8 -4.403 -16.594 -6.968 1.00 1.18 H new ATOM 0 HE21 GLN B 8 -4.703 -18.592 -7.827 1.00 2.22 H new ATOM 0 HE22 GLN B 8 -5.790 -18.939 -9.176 1.00 2.22 H new ATOM 631 N LYS B 9 -7.212 -13.380 -4.545 1.00 0.57 N ATOM 632 CA LYS B 9 -7.700 -12.009 -4.590 1.00 0.58 C ATOM 633 C LYS B 9 -6.761 -11.075 -3.836 1.00 0.50 C ATOM 634 O LYS B 9 -6.519 -9.945 -4.262 1.00 0.59 O ATOM 635 CB LYS B 9 -9.108 -11.926 -3.997 1.00 0.64 C ATOM 636 CG LYS B 9 -10.020 -10.955 -4.732 1.00 1.01 C ATOM 637 CD LYS B 9 -11.396 -11.555 -4.973 1.00 1.26 C ATOM 638 CE LYS B 9 -12.398 -11.089 -3.929 1.00 1.86 C ATOM 639 NZ LYS B 9 -13.577 -11.995 -3.849 1.00 2.37 N ATOM 0 H LYS B 9 -7.826 -14.030 -4.054 1.00 0.57 H new ATOM 0 HA LYS B 9 -7.735 -11.695 -5.633 1.00 0.58 H new ATOM 0 HB2 LYS B 9 -9.559 -12.918 -4.012 1.00 0.64 H new ATOM 0 HB3 LYS B 9 -9.036 -11.625 -2.952 1.00 0.64 H new ATOM 0 HG2 LYS B 9 -10.119 -10.037 -4.152 1.00 1.01 H new ATOM 0 HG3 LYS B 9 -9.569 -10.682 -5.686 1.00 1.01 H new ATOM 0 HD2 LYS B 9 -11.747 -11.275 -5.966 1.00 1.26 H new ATOM 0 HD3 LYS B 9 -11.328 -12.643 -4.954 1.00 1.26 H new ATOM 0 HE2 LYS B 9 -11.911 -11.040 -2.955 1.00 1.86 H new ATOM 0 HE3 LYS B 9 -12.731 -10.080 -4.170 1.00 1.86 H new ATOM 0 HZ1 LYS B 9 -14.237 -11.643 -3.126 1.00 2.37 H new ATOM 0 HZ2 LYS B 9 -14.057 -12.023 -4.771 1.00 2.37 H new ATOM 0 HZ3 LYS B 9 -13.262 -12.953 -3.594 1.00 2.37 H new ATOM 653 N ILE B 10 -6.231 -11.553 -2.714 1.00 0.41 N ATOM 654 CA ILE B 10 -5.318 -10.752 -1.911 1.00 0.38 C ATOM 655 C ILE B 10 -3.967 -10.603 -2.596 1.00 0.36 C ATOM 656 O ILE B 10 -3.399 -9.514 -2.625 1.00 0.37 O ATOM 657 CB ILE B 10 -5.096 -11.344 -0.510 1.00 0.42 C ATOM 658 CG1 ILE B 10 -4.743 -12.830 -0.585 1.00 0.41 C ATOM 659 CG2 ILE B 10 -6.324 -11.128 0.360 1.00 0.54 C ATOM 660 CD1 ILE B 10 -4.274 -13.402 0.736 1.00 1.11 C ATOM 0 H ILE B 10 -6.417 -12.485 -2.344 1.00 0.41 H new ATOM 0 HA ILE B 10 -5.790 -9.775 -1.806 1.00 0.38 H new ATOM 0 HB ILE B 10 -4.252 -10.824 -0.056 1.00 0.42 H new ATOM 0 HG12 ILE B 10 -5.616 -13.387 -0.925 1.00 0.41 H new ATOM 0 HG13 ILE B 10 -3.963 -12.974 -1.333 1.00 0.41 H new ATOM 0 HG21 ILE B 10 -6.149 -11.553 1.348 1.00 0.54 H new ATOM 0 HG22 ILE B 10 -6.520 -10.060 0.454 1.00 0.54 H new ATOM 0 HG23 ILE B 10 -7.185 -11.616 -0.098 1.00 0.54 H new ATOM 0 HD11 ILE B 10 -4.040 -14.459 0.612 1.00 1.11 H new ATOM 0 HD12 ILE B 10 -3.382 -12.870 1.067 1.00 1.11 H new ATOM 0 HD13 ILE B 10 -5.061 -13.289 1.481 1.00 1.11 H new ATOM 672 N ASP B 11 -3.455 -11.698 -3.154 1.00 0.39 N ATOM 673 CA ASP B 11 -2.168 -11.666 -3.842 1.00 0.47 C ATOM 674 C ASP B 11 -2.147 -10.524 -4.849 1.00 0.48 C ATOM 675 O ASP B 11 -1.117 -9.880 -5.068 1.00 0.52 O ATOM 676 CB ASP B 11 -1.907 -12.996 -4.550 1.00 0.58 C ATOM 677 CG ASP B 11 -1.255 -14.017 -3.636 1.00 0.84 C ATOM 678 OD1 ASP B 11 -1.461 -13.932 -2.408 1.00 1.45 O ATOM 679 OD2 ASP B 11 -0.538 -14.902 -4.151 1.00 1.51 O ATOM 0 H ASP B 11 -3.908 -12.612 -3.143 1.00 0.39 H new ATOM 0 HA ASP B 11 -1.381 -11.506 -3.105 1.00 0.47 H new ATOM 0 HB2 ASP B 11 -2.849 -13.396 -4.925 1.00 0.58 H new ATOM 0 HB3 ASP B 11 -1.267 -12.825 -5.415 1.00 0.58 H new ATOM 684 N ASP B 12 -3.306 -10.262 -5.437 1.00 0.48 N ATOM 685 CA ASP B 12 -3.440 -9.183 -6.403 1.00 0.53 C ATOM 686 C ASP B 12 -3.252 -7.851 -5.698 1.00 0.49 C ATOM 687 O ASP B 12 -2.490 -6.992 -6.146 1.00 0.54 O ATOM 688 CB ASP B 12 -4.811 -9.234 -7.080 1.00 0.60 C ATOM 689 CG ASP B 12 -4.800 -10.065 -8.348 1.00 0.75 C ATOM 690 OD1 ASP B 12 -3.986 -11.008 -8.432 1.00 1.32 O ATOM 691 OD2 ASP B 12 -5.605 -9.771 -9.257 1.00 1.44 O ATOM 0 H ASP B 12 -4.166 -10.782 -5.262 1.00 0.48 H new ATOM 0 HA ASP B 12 -2.677 -9.297 -7.173 1.00 0.53 H new ATOM 0 HB2 ASP B 12 -5.541 -9.647 -6.384 1.00 0.60 H new ATOM 0 HB3 ASP B 12 -5.134 -8.220 -7.316 1.00 0.60 H new ATOM 696 N ILE B 13 -3.939 -7.700 -4.574 1.00 0.43 N ATOM 697 CA ILE B 13 -3.840 -6.488 -3.781 1.00 0.44 C ATOM 698 C ILE B 13 -2.405 -6.275 -3.319 1.00 0.42 C ATOM 699 O ILE B 13 -1.866 -5.182 -3.438 1.00 0.45 O ATOM 700 CB ILE B 13 -4.768 -6.544 -2.551 1.00 0.43 C ATOM 701 CG1 ILE B 13 -6.192 -6.906 -2.979 1.00 0.46 C ATOM 702 CG2 ILE B 13 -4.747 -5.214 -1.807 1.00 0.55 C ATOM 703 CD1 ILE B 13 -7.199 -6.852 -1.850 1.00 0.50 C ATOM 0 H ILE B 13 -4.571 -8.404 -4.193 1.00 0.43 H new ATOM 0 HA ILE B 13 -4.150 -5.656 -4.413 1.00 0.44 H new ATOM 0 HB ILE B 13 -4.406 -7.317 -1.873 1.00 0.43 H new ATOM 0 HG12 ILE B 13 -6.509 -6.225 -3.769 1.00 0.46 H new ATOM 0 HG13 ILE B 13 -6.190 -7.909 -3.405 1.00 0.46 H new ATOM 0 HG21 ILE B 13 -5.407 -5.271 -0.942 1.00 0.55 H new ATOM 0 HG22 ILE B 13 -3.731 -4.999 -1.475 1.00 0.55 H new ATOM 0 HG23 ILE B 13 -5.087 -4.420 -2.472 1.00 0.55 H new ATOM 0 HD11 ILE B 13 -8.185 -7.121 -2.229 1.00 0.50 H new ATOM 0 HD12 ILE B 13 -6.907 -7.553 -1.068 1.00 0.50 H new ATOM 0 HD13 ILE B 13 -7.231 -5.843 -1.439 1.00 0.50 H new ATOM 715 N ASP B 14 -1.787 -7.336 -2.800 1.00 0.40 N ATOM 716 CA ASP B 14 -0.407 -7.269 -2.327 1.00 0.43 C ATOM 717 C ASP B 14 0.494 -6.600 -3.358 1.00 0.46 C ATOM 718 O ASP B 14 1.455 -5.917 -3.007 1.00 0.48 O ATOM 719 CB ASP B 14 0.115 -8.671 -2.011 1.00 0.44 C ATOM 720 CG ASP B 14 1.049 -8.685 -0.818 1.00 0.51 C ATOM 721 OD1 ASP B 14 0.814 -7.907 0.131 1.00 1.32 O ATOM 722 OD2 ASP B 14 2.018 -9.474 -0.831 1.00 1.13 O ATOM 0 H ASP B 14 -2.222 -8.253 -2.697 1.00 0.40 H new ATOM 0 HA ASP B 14 -0.393 -6.669 -1.417 1.00 0.43 H new ATOM 0 HB2 ASP B 14 -0.728 -9.334 -1.817 1.00 0.44 H new ATOM 0 HB3 ASP B 14 0.637 -9.066 -2.882 1.00 0.44 H new ATOM 727 N HIS B 15 0.172 -6.795 -4.632 1.00 0.47 N ATOM 728 CA HIS B 15 0.950 -6.201 -5.708 1.00 0.52 C ATOM 729 C HIS B 15 0.638 -4.716 -5.831 1.00 0.53 C ATOM 730 O HIS B 15 1.483 -3.922 -6.250 1.00 0.56 O ATOM 731 CB HIS B 15 0.650 -6.907 -7.032 1.00 0.56 C ATOM 732 CG HIS B 15 1.733 -6.749 -8.054 1.00 0.76 C ATOM 733 ND1 HIS B 15 2.836 -5.944 -7.862 1.00 0.92 N ATOM 734 CD2 HIS B 15 1.878 -7.298 -9.283 1.00 1.01 C ATOM 735 CE1 HIS B 15 3.613 -6.005 -8.930 1.00 1.12 C ATOM 736 NE2 HIS B 15 3.054 -6.821 -9.804 1.00 1.19 N ATOM 0 H HIS B 15 -0.620 -7.358 -4.942 1.00 0.47 H new ATOM 0 HA HIS B 15 2.008 -6.320 -5.475 1.00 0.52 H new ATOM 0 HB2 HIS B 15 0.494 -7.969 -6.841 1.00 0.56 H new ATOM 0 HB3 HIS B 15 -0.282 -6.516 -7.439 1.00 0.56 H new ATOM 0 HD1 HIS B 15 3.023 -5.389 -7.027 1.00 0.92 H new ATOM 0 HD2 HIS B 15 1.195 -7.983 -9.763 1.00 1.01 H new ATOM 0 HE1 HIS B 15 4.546 -5.477 -9.064 1.00 1.12 H new ATOM 745 N GLU B 16 -0.583 -4.345 -5.460 1.00 0.52 N ATOM 746 CA GLU B 16 -1.012 -2.957 -5.528 1.00 0.56 C ATOM 747 C GLU B 16 -0.589 -2.191 -4.278 1.00 0.57 C ATOM 748 O GLU B 16 -0.259 -1.010 -4.346 1.00 0.64 O ATOM 749 CB GLU B 16 -2.529 -2.881 -5.700 1.00 0.58 C ATOM 750 CG GLU B 16 -3.078 -3.886 -6.699 1.00 0.59 C ATOM 751 CD GLU B 16 -4.581 -4.058 -6.588 1.00 1.29 C ATOM 752 OE1 GLU B 16 -5.111 -3.931 -5.465 1.00 2.03 O ATOM 753 OE2 GLU B 16 -5.226 -4.320 -7.626 1.00 1.99 O ATOM 0 H GLU B 16 -1.292 -4.989 -5.109 1.00 0.52 H new ATOM 0 HA GLU B 16 -0.531 -2.496 -6.391 1.00 0.56 H new ATOM 0 HB2 GLU B 16 -3.005 -3.045 -4.733 1.00 0.58 H new ATOM 0 HB3 GLU B 16 -2.800 -1.876 -6.022 1.00 0.58 H new ATOM 0 HG2 GLU B 16 -2.827 -3.563 -7.709 1.00 0.59 H new ATOM 0 HG3 GLU B 16 -2.593 -4.850 -6.543 1.00 0.59 H new ATOM 760 N ILE B 17 -0.601 -2.876 -3.140 1.00 0.53 N ATOM 761 CA ILE B 17 -0.220 -2.269 -1.872 1.00 0.57 C ATOM 762 C ILE B 17 1.244 -1.845 -1.896 1.00 0.57 C ATOM 763 O ILE B 17 1.624 -0.834 -1.301 1.00 0.61 O ATOM 764 CB ILE B 17 -0.435 -3.244 -0.697 1.00 0.58 C ATOM 765 CG1 ILE B 17 -1.835 -3.854 -0.758 1.00 0.58 C ATOM 766 CG2 ILE B 17 -0.224 -2.532 0.632 1.00 0.66 C ATOM 767 CD1 ILE B 17 -1.924 -5.224 -0.123 1.00 1.06 C ATOM 0 H ILE B 17 -0.872 -3.857 -3.071 1.00 0.53 H new ATOM 0 HA ILE B 17 -0.855 -1.394 -1.731 1.00 0.57 H new ATOM 0 HB ILE B 17 0.297 -4.048 -0.778 1.00 0.58 H new ATOM 0 HG12 ILE B 17 -2.536 -3.185 -0.260 1.00 0.58 H new ATOM 0 HG13 ILE B 17 -2.147 -3.924 -1.800 1.00 0.58 H new ATOM 0 HG21 ILE B 17 -0.380 -3.235 1.450 1.00 0.66 H new ATOM 0 HG22 ILE B 17 0.792 -2.141 0.678 1.00 0.66 H new ATOM 0 HG23 ILE B 17 -0.933 -1.709 0.721 1.00 0.66 H new ATOM 0 HD11 ILE B 17 -2.945 -5.596 -0.202 1.00 1.06 H new ATOM 0 HD12 ILE B 17 -1.248 -5.908 -0.636 1.00 1.06 H new ATOM 0 HD13 ILE B 17 -1.643 -5.157 0.928 1.00 1.06 H new ATOM 779 N ALA B 18 2.062 -2.631 -2.589 1.00 0.53 N ATOM 780 CA ALA B 18 3.488 -2.355 -2.698 1.00 0.55 C ATOM 781 C ALA B 18 3.765 -1.262 -3.723 1.00 0.55 C ATOM 782 O ALA B 18 4.662 -0.440 -3.539 1.00 0.57 O ATOM 783 CB ALA B 18 4.240 -3.627 -3.063 1.00 0.58 C ATOM 0 H ALA B 18 1.758 -3.468 -3.086 1.00 0.53 H new ATOM 0 HA ALA B 18 3.839 -1.999 -1.729 1.00 0.55 H new ATOM 0 HB1 ALA B 18 5.305 -3.410 -3.142 1.00 0.58 H new ATOM 0 HB2 ALA B 18 4.079 -4.379 -2.291 1.00 0.58 H new ATOM 0 HB3 ALA B 18 3.875 -4.004 -4.018 1.00 0.58 H new ATOM 789 N ASP B 19 2.990 -1.256 -4.805 1.00 0.55 N ATOM 790 CA ASP B 19 3.157 -0.259 -5.856 1.00 0.57 C ATOM 791 C ASP B 19 3.083 1.151 -5.281 1.00 0.55 C ATOM 792 O ASP B 19 3.939 1.992 -5.556 1.00 0.57 O ATOM 793 CB ASP B 19 2.088 -0.440 -6.936 1.00 0.61 C ATOM 794 CG ASP B 19 2.402 -1.588 -7.874 1.00 0.93 C ATOM 795 OD1 ASP B 19 3.201 -2.467 -7.490 1.00 1.57 O ATOM 796 OD2 ASP B 19 1.849 -1.609 -8.993 1.00 1.58 O ATOM 0 H ASP B 19 2.243 -1.929 -4.976 1.00 0.55 H new ATOM 0 HA ASP B 19 4.141 -0.399 -6.304 1.00 0.57 H new ATOM 0 HB2 ASP B 19 1.123 -0.616 -6.462 1.00 0.61 H new ATOM 0 HB3 ASP B 19 1.997 0.481 -7.511 1.00 0.61 H new ATOM 801 N LEU B 20 2.055 1.399 -4.477 1.00 0.52 N ATOM 802 CA LEU B 20 1.869 2.705 -3.857 1.00 0.52 C ATOM 803 C LEU B 20 3.027 3.036 -2.925 1.00 0.50 C ATOM 804 O LEU B 20 3.630 4.103 -3.022 1.00 0.50 O ATOM 805 CB LEU B 20 0.549 2.749 -3.085 1.00 0.57 C ATOM 806 CG LEU B 20 -0.644 2.106 -3.794 1.00 0.58 C ATOM 807 CD1 LEU B 20 -1.936 2.456 -3.075 1.00 0.63 C ATOM 808 CD2 LEU B 20 -0.709 2.544 -5.251 1.00 0.62 C ATOM 0 H LEU B 20 1.338 0.713 -4.240 1.00 0.52 H new ATOM 0 HA LEU B 20 1.840 3.451 -4.651 1.00 0.52 H new ATOM 0 HB2 LEU B 20 0.691 2.252 -2.125 1.00 0.57 H new ATOM 0 HB3 LEU B 20 0.306 3.790 -2.872 1.00 0.57 H new ATOM 0 HG LEU B 20 -0.514 1.024 -3.771 1.00 0.58 H new ATOM 0 HD11 LEU B 20 -2.777 1.992 -3.591 1.00 0.63 H new ATOM 0 HD12 LEU B 20 -1.892 2.090 -2.049 1.00 0.63 H new ATOM 0 HD13 LEU B 20 -2.067 3.538 -3.069 1.00 0.63 H new ATOM 0 HD21 LEU B 20 -1.565 2.074 -5.734 1.00 0.62 H new ATOM 0 HD22 LEU B 20 -0.814 3.628 -5.301 1.00 0.62 H new ATOM 0 HD23 LEU B 20 0.206 2.244 -5.762 1.00 0.62 H new ATOM 820 N GLN B 21 3.332 2.112 -2.016 1.00 0.51 N ATOM 821 CA GLN B 21 4.418 2.307 -1.061 1.00 0.52 C ATOM 822 C GLN B 21 5.696 2.747 -1.766 1.00 0.51 C ATOM 823 O GLN B 21 6.513 3.473 -1.199 1.00 0.51 O ATOM 824 CB GLN B 21 4.672 1.018 -0.277 1.00 0.56 C ATOM 825 CG GLN B 21 5.570 1.210 0.935 1.00 0.88 C ATOM 826 CD GLN B 21 6.565 0.079 1.107 1.00 1.31 C ATOM 827 OE1 GLN B 21 6.565 -0.886 0.342 1.00 1.98 O ATOM 828 NE2 GLN B 21 7.420 0.193 2.116 1.00 1.93 N ATOM 0 H GLN B 21 2.842 1.222 -1.922 1.00 0.51 H new ATOM 0 HA GLN B 21 4.120 3.094 -0.369 1.00 0.52 H new ATOM 0 HB2 GLN B 21 3.717 0.607 0.050 1.00 0.56 H new ATOM 0 HB3 GLN B 21 5.125 0.282 -0.941 1.00 0.56 H new ATOM 0 HG2 GLN B 21 6.109 2.152 0.838 1.00 0.88 H new ATOM 0 HG3 GLN B 21 4.954 1.287 1.831 1.00 0.88 H new ATOM 0 HE21 GLN B 21 7.384 1.010 2.725 1.00 1.93 H new ATOM 0 HE22 GLN B 21 8.113 -0.537 2.282 1.00 1.93 H new ATOM 837 N ALA B 22 5.861 2.309 -3.010 1.00 0.52 N ATOM 838 CA ALA B 22 7.037 2.663 -3.794 1.00 0.55 C ATOM 839 C ALA B 22 6.964 4.114 -4.256 1.00 0.54 C ATOM 840 O ALA B 22 7.984 4.792 -4.372 1.00 0.62 O ATOM 841 CB ALA B 22 7.175 1.732 -4.990 1.00 0.60 C ATOM 0 H ALA B 22 5.195 1.709 -3.496 1.00 0.52 H new ATOM 0 HA ALA B 22 7.917 2.551 -3.160 1.00 0.55 H new ATOM 0 HB1 ALA B 22 8.058 2.009 -5.566 1.00 0.60 H new ATOM 0 HB2 ALA B 22 7.277 0.704 -4.641 1.00 0.60 H new ATOM 0 HB3 ALA B 22 6.290 1.815 -5.620 1.00 0.60 H new ATOM 847 N LYS B 23 5.748 4.583 -4.519 1.00 0.54 N ATOM 848 CA LYS B 23 5.541 5.956 -4.968 1.00 0.55 C ATOM 849 C LYS B 23 5.893 6.953 -3.868 1.00 0.49 C ATOM 850 O LYS B 23 6.382 8.047 -4.145 1.00 0.55 O ATOM 851 CB LYS B 23 4.089 6.162 -5.408 1.00 0.59 C ATOM 852 CG LYS B 23 3.549 5.042 -6.285 1.00 0.69 C ATOM 853 CD LYS B 23 4.461 4.770 -7.470 1.00 0.76 C ATOM 854 CE LYS B 23 3.782 3.888 -8.505 1.00 0.96 C ATOM 855 NZ LYS B 23 4.726 2.901 -9.101 1.00 1.43 N ATOM 0 H LYS B 23 4.893 4.034 -4.429 1.00 0.54 H new ATOM 0 HA LYS B 23 6.201 6.131 -5.818 1.00 0.55 H new ATOM 0 HB2 LYS B 23 3.460 6.253 -4.522 1.00 0.59 H new ATOM 0 HB3 LYS B 23 4.014 7.104 -5.951 1.00 0.59 H new ATOM 0 HG2 LYS B 23 3.442 4.134 -5.692 1.00 0.69 H new ATOM 0 HG3 LYS B 23 2.555 5.307 -6.644 1.00 0.69 H new ATOM 0 HD2 LYS B 23 4.753 5.714 -7.930 1.00 0.76 H new ATOM 0 HD3 LYS B 23 5.375 4.288 -7.124 1.00 0.76 H new ATOM 0 HE2 LYS B 23 2.949 3.359 -8.041 1.00 0.96 H new ATOM 0 HE3 LYS B 23 3.363 4.512 -9.295 1.00 0.96 H new ATOM 0 HZ1 LYS B 23 4.224 2.319 -9.802 1.00 1.43 H new ATOM 0 HZ2 LYS B 23 5.508 3.405 -9.566 1.00 1.43 H new ATOM 0 HZ3 LYS B 23 5.107 2.288 -8.352 1.00 1.43 H new ATOM 869 N ARG B 24 5.637 6.571 -2.621 1.00 0.45 N ATOM 870 CA ARG B 24 5.924 7.440 -1.484 1.00 0.47 C ATOM 871 C ARG B 24 7.427 7.587 -1.266 1.00 0.52 C ATOM 872 O ARG B 24 7.928 8.693 -1.067 1.00 0.60 O ATOM 873 CB ARG B 24 5.267 6.888 -0.217 1.00 0.55 C ATOM 874 CG ARG B 24 4.017 7.648 0.197 1.00 1.05 C ATOM 875 CD ARG B 24 3.721 7.475 1.677 1.00 1.09 C ATOM 876 NE ARG B 24 3.789 8.742 2.402 1.00 1.29 N ATOM 877 CZ ARG B 24 4.096 8.846 3.694 1.00 1.81 C ATOM 878 NH1 ARG B 24 4.354 7.762 4.415 1.00 2.28 N ATOM 879 NH2 ARG B 24 4.142 10.041 4.267 1.00 2.12 N ATOM 0 H ARG B 24 5.233 5.668 -2.372 1.00 0.45 H new ATOM 0 HA ARG B 24 5.513 8.425 -1.704 1.00 0.47 H new ATOM 0 HB2 ARG B 24 5.010 5.841 -0.377 1.00 0.55 H new ATOM 0 HB3 ARG B 24 5.988 6.918 0.600 1.00 0.55 H new ATOM 0 HG2 ARG B 24 4.143 8.707 -0.028 1.00 1.05 H new ATOM 0 HG3 ARG B 24 3.167 7.297 -0.388 1.00 1.05 H new ATOM 0 HD2 ARG B 24 2.729 7.040 1.800 1.00 1.09 H new ATOM 0 HD3 ARG B 24 4.433 6.772 2.109 1.00 1.09 H new ATOM 0 HE ARG B 24 3.589 9.599 1.887 1.00 1.29 H new ATOM 0 HH11 ARG B 24 4.318 6.840 3.980 1.00 2.28 H new ATOM 0 HH12 ARG B 24 4.588 7.851 5.404 1.00 2.28 H new ATOM 0 HH21 ARG B 24 3.943 10.878 3.719 1.00 2.12 H new ATOM 0 HH22 ARG B 24 4.377 10.124 5.256 1.00 2.12 H new ATOM 893 N THR B 25 8.141 6.467 -1.298 1.00 0.52 N ATOM 894 CA THR B 25 9.585 6.470 -1.096 1.00 0.60 C ATOM 895 C THR B 25 10.289 7.306 -2.158 1.00 0.61 C ATOM 896 O THR B 25 11.059 8.212 -1.839 1.00 0.67 O ATOM 897 CB THR B 25 10.128 5.044 -1.125 1.00 0.64 C ATOM 898 OG1 THR B 25 9.097 4.106 -0.867 1.00 0.70 O ATOM 899 CG2 THR B 25 11.231 4.803 -0.118 1.00 0.75 C ATOM 0 H THR B 25 7.742 5.543 -1.462 1.00 0.52 H new ATOM 0 HA THR B 25 9.782 6.913 -0.120 1.00 0.60 H new ATOM 0 HB THR B 25 10.537 4.913 -2.127 1.00 0.64 H new ATOM 0 HG1 THR B 25 9.466 3.199 -0.892 1.00 0.70 H new ATOM 0 HG21 THR B 25 11.572 3.770 -0.192 1.00 0.75 H new ATOM 0 HG22 THR B 25 12.064 5.475 -0.323 1.00 0.75 H new ATOM 0 HG23 THR B 25 10.853 4.990 0.887 1.00 0.75 H new ATOM 907 N ARG B 26 10.026 6.992 -3.422 1.00 0.61 N ATOM 908 CA ARG B 26 10.642 7.714 -4.531 1.00 0.68 C ATOM 909 C ARG B 26 10.456 9.216 -4.359 1.00 0.64 C ATOM 910 O ARG B 26 11.394 9.996 -4.538 1.00 0.71 O ATOM 911 CB ARG B 26 10.048 7.254 -5.864 1.00 0.72 C ATOM 912 CG ARG B 26 8.557 7.519 -5.994 1.00 0.67 C ATOM 913 CD ARG B 26 8.029 7.068 -7.346 1.00 1.10 C ATOM 914 NE ARG B 26 7.034 7.995 -7.883 1.00 1.56 N ATOM 915 CZ ARG B 26 7.339 9.143 -8.482 1.00 2.14 C ATOM 916 NH1 ARG B 26 8.606 9.510 -8.626 1.00 2.60 N ATOM 917 NH2 ARG B 26 6.373 9.927 -8.941 1.00 2.89 N ATOM 0 H ARG B 26 9.392 6.244 -3.704 1.00 0.61 H new ATOM 0 HA ARG B 26 11.710 7.495 -4.533 1.00 0.68 H new ATOM 0 HB2 ARG B 26 10.570 7.759 -6.677 1.00 0.72 H new ATOM 0 HB3 ARG B 26 10.230 6.186 -5.983 1.00 0.72 H new ATOM 0 HG2 ARG B 26 8.023 6.997 -5.200 1.00 0.67 H new ATOM 0 HG3 ARG B 26 8.362 8.583 -5.862 1.00 0.67 H new ATOM 0 HD2 ARG B 26 8.858 6.980 -8.048 1.00 1.10 H new ATOM 0 HD3 ARG B 26 7.586 6.077 -7.250 1.00 1.10 H new ATOM 0 HE ARG B 26 6.049 7.747 -7.793 1.00 1.56 H new ATOM 0 HH11 ARG B 26 9.354 8.910 -8.276 1.00 2.60 H new ATOM 0 HH12 ARG B 26 8.832 10.392 -9.086 1.00 2.60 H new ATOM 0 HH21 ARG B 26 5.397 9.650 -8.835 1.00 2.89 H new ATOM 0 HH22 ARG B 26 6.606 10.807 -9.400 1.00 2.89 H new ATOM 931 N LEU B 27 9.245 9.614 -3.991 1.00 0.57 N ATOM 932 CA LEU B 27 8.946 11.021 -3.776 1.00 0.55 C ATOM 933 C LEU B 27 9.793 11.567 -2.634 1.00 0.56 C ATOM 934 O LEU B 27 10.234 12.714 -2.671 1.00 0.61 O ATOM 935 CB LEU B 27 7.460 11.220 -3.472 1.00 0.51 C ATOM 936 CG LEU B 27 6.625 11.752 -4.638 1.00 0.60 C ATOM 937 CD1 LEU B 27 6.287 10.633 -5.610 1.00 1.38 C ATOM 938 CD2 LEU B 27 5.357 12.414 -4.124 1.00 1.34 C ATOM 0 H LEU B 27 8.458 8.984 -3.836 1.00 0.57 H new ATOM 0 HA LEU B 27 9.185 11.567 -4.689 1.00 0.55 H new ATOM 0 HB2 LEU B 27 7.040 10.267 -3.150 1.00 0.51 H new ATOM 0 HB3 LEU B 27 7.366 11.910 -2.633 1.00 0.51 H new ATOM 0 HG LEU B 27 7.214 12.500 -5.170 1.00 0.60 H new ATOM 0 HD11 LEU B 27 5.693 11.032 -6.432 1.00 1.38 H new ATOM 0 HD12 LEU B 27 7.208 10.202 -6.004 1.00 1.38 H new ATOM 0 HD13 LEU B 27 5.718 9.861 -5.092 1.00 1.38 H new ATOM 0 HD21 LEU B 27 4.774 12.787 -4.966 1.00 1.34 H new ATOM 0 HD22 LEU B 27 4.766 11.686 -3.568 1.00 1.34 H new ATOM 0 HD23 LEU B 27 5.620 13.244 -3.469 1.00 1.34 H new ATOM 950 N VAL B 28 10.028 10.731 -1.623 1.00 0.57 N ATOM 951 CA VAL B 28 10.835 11.137 -0.481 1.00 0.63 C ATOM 952 C VAL B 28 12.263 11.418 -0.921 1.00 0.73 C ATOM 953 O VAL B 28 12.854 12.431 -0.545 1.00 0.79 O ATOM 954 CB VAL B 28 10.851 10.059 0.617 1.00 0.66 C ATOM 955 CG1 VAL B 28 11.607 10.551 1.843 1.00 0.77 C ATOM 956 CG2 VAL B 28 9.433 9.645 0.986 1.00 0.63 C ATOM 0 H VAL B 28 9.673 9.776 -1.574 1.00 0.57 H new ATOM 0 HA VAL B 28 10.385 12.041 -0.071 1.00 0.63 H new ATOM 0 HB VAL B 28 11.370 9.183 0.227 1.00 0.66 H new ATOM 0 HG11 VAL B 28 11.606 9.774 2.607 1.00 0.77 H new ATOM 0 HG12 VAL B 28 12.635 10.787 1.566 1.00 0.77 H new ATOM 0 HG13 VAL B 28 11.122 11.445 2.235 1.00 0.77 H new ATOM 0 HG21 VAL B 28 9.467 8.882 1.764 1.00 0.63 H new ATOM 0 HG22 VAL B 28 8.884 10.513 1.353 1.00 0.63 H new ATOM 0 HG23 VAL B 28 8.931 9.243 0.106 1.00 0.63 H new ATOM 966 N GLN B 29 12.807 10.519 -1.736 1.00 0.80 N ATOM 967 CA GLN B 29 14.163 10.674 -2.248 1.00 0.92 C ATOM 968 C GLN B 29 14.326 12.049 -2.881 1.00 0.94 C ATOM 969 O GLN B 29 15.411 12.631 -2.865 1.00 1.02 O ATOM 970 CB GLN B 29 14.476 9.583 -3.274 1.00 1.05 C ATOM 971 CG GLN B 29 15.122 8.347 -2.669 1.00 1.34 C ATOM 972 CD GLN B 29 14.197 7.610 -1.721 1.00 1.63 C ATOM 973 OE1 GLN B 29 13.438 6.733 -2.131 1.00 2.33 O ATOM 974 NE2 GLN B 29 14.255 7.966 -0.443 1.00 1.99 N ATOM 0 H GLN B 29 12.329 9.676 -2.055 1.00 0.80 H new ATOM 0 HA GLN B 29 14.862 10.579 -1.417 1.00 0.92 H new ATOM 0 HB2 GLN B 29 13.553 9.292 -3.776 1.00 1.05 H new ATOM 0 HB3 GLN B 29 15.138 9.992 -4.037 1.00 1.05 H new ATOM 0 HG2 GLN B 29 15.428 7.673 -3.469 1.00 1.34 H new ATOM 0 HG3 GLN B 29 16.026 8.639 -2.135 1.00 1.34 H new ATOM 0 HE21 GLN B 29 14.900 8.699 -0.146 1.00 1.99 H new ATOM 0 HE22 GLN B 29 13.655 7.507 0.242 1.00 1.99 H new ATOM 983 N GLN B 30 13.229 12.567 -3.428 1.00 0.93 N ATOM 984 CA GLN B 30 13.234 13.880 -4.054 1.00 1.05 C ATOM 985 C GLN B 30 13.258 14.977 -2.994 1.00 1.03 C ATOM 986 O GLN B 30 13.794 16.061 -3.221 1.00 1.16 O ATOM 987 CB GLN B 30 12.006 14.047 -4.950 1.00 1.14 C ATOM 988 CG GLN B 30 11.985 13.099 -6.137 1.00 1.56 C ATOM 989 CD GLN B 30 12.827 13.598 -7.296 1.00 1.85 C ATOM 990 OE1 GLN B 30 13.706 12.890 -7.790 1.00 2.32 O ATOM 991 NE2 GLN B 30 12.561 14.823 -7.736 1.00 2.39 N ATOM 0 H GLN B 30 12.326 12.094 -3.449 1.00 0.93 H new ATOM 0 HA GLN B 30 14.132 13.964 -4.666 1.00 1.05 H new ATOM 0 HB2 GLN B 30 11.107 13.889 -4.354 1.00 1.14 H new ATOM 0 HB3 GLN B 30 11.970 15.073 -5.315 1.00 1.14 H new ATOM 0 HG2 GLN B 30 12.349 12.121 -5.823 1.00 1.56 H new ATOM 0 HG3 GLN B 30 10.956 12.964 -6.471 1.00 1.56 H new ATOM 0 HE21 GLN B 30 11.824 15.374 -7.296 1.00 2.39 H new ATOM 0 HE22 GLN B 30 13.094 15.213 -8.513 1.00 2.39 H new ATOM 1000 N HIS B 31 12.677 14.687 -1.829 1.00 0.92 N ATOM 1001 CA HIS B 31 12.642 15.654 -0.735 1.00 1.01 C ATOM 1002 C HIS B 31 12.837 14.963 0.615 1.00 1.11 C ATOM 1003 O HIS B 31 11.951 14.986 1.470 1.00 1.33 O ATOM 1004 CB HIS B 31 11.324 16.436 -0.747 1.00 1.26 C ATOM 1005 CG HIS B 31 10.122 15.608 -0.417 1.00 1.85 C ATOM 1006 ND1 HIS B 31 9.543 14.738 -1.313 1.00 1.98 N ATOM 1007 CD2 HIS B 31 9.386 15.522 0.716 1.00 2.73 C ATOM 1008 CE1 HIS B 31 8.503 14.157 -0.748 1.00 2.71 C ATOM 1009 NE2 HIS B 31 8.386 14.613 0.486 1.00 3.18 N ATOM 0 H HIS B 31 12.227 13.795 -1.621 1.00 0.92 H new ATOM 0 HA HIS B 31 13.464 16.355 -0.881 1.00 1.01 H new ATOM 0 HB2 HIS B 31 11.394 17.257 -0.033 1.00 1.26 H new ATOM 0 HB3 HIS B 31 11.186 16.881 -1.732 1.00 1.26 H new ATOM 0 HD1 HIS B 31 9.868 14.569 -2.265 1.00 1.98 H new ATOM 0 HD2 HIS B 31 9.555 16.069 1.632 1.00 2.73 H new ATOM 0 HE1 HIS B 31 7.855 13.430 -1.216 1.00 2.71 H new ATOM 1018 N PRO B 32 14.007 14.338 0.827 1.00 1.38 N ATOM 1019 CA PRO B 32 14.315 13.640 2.079 1.00 1.79 C ATOM 1020 C PRO B 32 14.490 14.601 3.250 1.00 1.86 C ATOM 1021 O PRO B 32 14.259 14.240 4.403 1.00 2.31 O ATOM 1022 CB PRO B 32 15.631 12.922 1.774 1.00 2.24 C ATOM 1023 CG PRO B 32 16.257 13.727 0.689 1.00 2.17 C ATOM 1024 CD PRO B 32 15.122 14.263 -0.137 1.00 1.64 C ATOM 0 HA PRO B 32 13.510 12.970 2.379 1.00 1.79 H new ATOM 0 HB2 PRO B 32 16.272 12.878 2.655 1.00 2.24 H new ATOM 0 HB3 PRO B 32 15.457 11.894 1.455 1.00 2.24 H new ATOM 0 HG2 PRO B 32 16.856 14.539 1.102 1.00 2.17 H new ATOM 0 HG3 PRO B 32 16.924 13.114 0.084 1.00 2.17 H new ATOM 0 HD2 PRO B 32 15.357 15.241 -0.557 1.00 1.64 H new ATOM 0 HD3 PRO B 32 14.887 13.605 -0.973 1.00 1.64 H new ATOM 1032 N ARG B 33 14.900 15.829 2.944 1.00 2.06 N ATOM 1033 CA ARG B 33 15.106 16.843 3.972 1.00 2.26 C ATOM 1034 C ARG B 33 14.410 18.147 3.596 1.00 3.01 C ATOM 1035 O ARG B 33 14.344 19.050 4.456 1.00 3.62 O ATOM 1036 CB ARG B 33 16.601 17.091 4.180 1.00 2.19 C ATOM 1037 CG ARG B 33 17.346 17.430 2.898 1.00 2.87 C ATOM 1038 CD ARG B 33 18.705 16.747 2.839 1.00 3.48 C ATOM 1039 NE ARG B 33 19.801 17.690 3.046 1.00 4.18 N ATOM 1040 CZ ARG B 33 20.204 18.571 2.133 1.00 4.96 C ATOM 1041 NH1 ARG B 33 19.603 18.634 0.951 1.00 5.21 N ATOM 1042 NH2 ARG B 33 21.212 19.390 2.402 1.00 5.81 N ATOM 0 H ARG B 33 15.096 16.145 1.994 1.00 2.06 H new ATOM 0 HA ARG B 33 14.673 16.476 4.902 1.00 2.26 H new ATOM 0 HB2 ARG B 33 16.730 17.906 4.892 1.00 2.19 H new ATOM 0 HB3 ARG B 33 17.049 16.204 4.627 1.00 2.19 H new ATOM 0 HG2 ARG B 33 16.748 17.126 2.039 1.00 2.87 H new ATOM 0 HG3 ARG B 33 17.478 18.510 2.829 1.00 2.87 H new ATOM 0 HD2 ARG B 33 18.751 15.965 3.597 1.00 3.48 H new ATOM 0 HD3 ARG B 33 18.824 16.260 1.871 1.00 3.48 H new ATOM 0 HE ARG B 33 20.286 17.672 3.943 1.00 4.18 H new ATOM 0 HH11 ARG B 33 18.828 18.005 0.739 1.00 5.21 H new ATOM 0 HH12 ARG B 33 19.916 19.311 0.255 1.00 5.21 H new ATOM 0 HH21 ARG B 33 21.678 19.345 3.308 1.00 5.81 H new ATOM 0 HH22 ARG B 33 21.521 20.065 1.703 1.00 5.81 H new TER 1056 ARG B 33