USER MOD reduce.3.24.130724 H: found=0, std=0, add=526, rem=0, adj=11 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+ 168:sc= -0.0192 (180deg=-0.19) USER MOD Single : A 1 CYS SG : rot 180:sc= 0 USER MOD Single : A 5 ASN : amide:sc= -0.365 X(o=-0.37,f=-0.065) USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS : no HE2:sc=-0.000313 K(o=-0.00031,f=-0.64) USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 77:sc= -0.169 USER MOD Single : A 29 GLN : amide:sc= -0.144 K(o=-0.14,f=-1.8!) USER MOD Single : A 30 GLN : amide:sc= -0.83 K(o=-0.83,f=-7.6!) USER MOD Single : A 31 HIS : no HE2:sc= -7.6! C(o=-7.6!,f=-17!) USER MOD Single : B 1 CYS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 CYS SG : rot 180:sc= 0 USER MOD Single : B 5 ASN : amide:sc= -0.295 X(o=-0.3,f=-0.031) 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= 0.0749 K(o=0.075,f=-1.8) USER MOD Single : B 21 GLN : amide:sc= -0.0964 K(o=-0.096,f=-1.6!) USER MOD Single : B 23 LYS NZ :NH3+ -169:sc= -0.115 (180deg=-0.323) USER MOD Single : B 25 THR OG1 : rot 76:sc= -0.17 USER MOD Single : B 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 30 GLN :FLIP amide:sc= 0 F(o=-0.84,f=0) USER MOD Single : B 31 HIS : no HE2:sc= -6.91! C(o=-6.9!,f=-16!) USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 1 10.606 27.785 -3.822 1.00 4.71 N ATOM 2 CA CYS A 1 10.862 27.666 -2.363 1.00 4.20 C ATOM 3 C CYS A 1 9.992 26.582 -1.736 1.00 3.72 C ATOM 4 O CYS A 1 9.627 26.666 -0.563 1.00 4.32 O ATOM 5 CB CYS A 1 10.575 29.018 -1.706 1.00 4.04 C ATOM 6 SG CYS A 1 11.972 30.166 -1.741 1.00 4.94 S ATOM 0 H1 CYS A 1 11.052 28.652 -4.183 1.00 4.71 H new ATOM 0 H2 CYS A 1 11.006 26.960 -4.313 1.00 4.71 H new ATOM 0 H3 CYS A 1 9.581 27.826 -3.992 1.00 4.71 H new ATOM 0 HA CYS A 1 11.903 27.383 -2.205 1.00 4.20 H new ATOM 0 HB2 CYS A 1 9.725 29.481 -2.208 1.00 4.04 H new ATOM 0 HB3 CYS A 1 10.281 28.851 -0.670 1.00 4.04 H new ATOM 0 HG CYS A 1 11.632 31.281 -1.165 1.00 4.94 H new ATOM 12 N GLY A 2 9.664 25.564 -2.524 1.00 3.04 N ATOM 13 CA GLY A 2 8.839 24.478 -2.028 1.00 2.89 C ATOM 14 C GLY A 2 9.479 23.749 -0.862 1.00 2.25 C ATOM 15 O GLY A 2 10.552 23.161 -1.003 1.00 2.72 O ATOM 0 H GLY A 2 9.955 25.471 -3.497 1.00 3.04 H new ATOM 0 HA2 GLY A 2 7.871 24.873 -1.718 1.00 2.89 H new ATOM 0 HA3 GLY A 2 8.651 23.771 -2.836 1.00 2.89 H new ATOM 19 N GLY A 3 8.820 23.788 0.290 1.00 1.84 N ATOM 20 CA GLY A 3 9.346 23.122 1.468 1.00 1.56 C ATOM 21 C GLY A 3 8.766 21.735 1.658 1.00 1.41 C ATOM 22 O GLY A 3 9.427 20.735 1.377 1.00 1.64 O ATOM 0 H GLY A 3 7.931 24.268 0.430 1.00 1.84 H new ATOM 0 HA2 GLY A 3 10.431 23.051 1.387 1.00 1.56 H new ATOM 0 HA3 GLY A 3 9.131 23.726 2.349 1.00 1.56 H new ATOM 26 N ASP A 4 7.528 21.673 2.137 1.00 1.16 N ATOM 27 CA ASP A 4 6.859 20.397 2.366 1.00 1.32 C ATOM 28 C ASP A 4 5.838 20.101 1.272 1.00 1.31 C ATOM 29 O ASP A 4 4.991 19.222 1.424 1.00 1.72 O ATOM 30 CB ASP A 4 6.161 20.404 3.720 1.00 1.55 C ATOM 31 CG ASP A 4 7.123 20.626 4.870 1.00 2.07 C ATOM 32 OD1 ASP A 4 8.300 20.226 4.745 1.00 2.50 O ATOM 33 OD2 ASP A 4 6.700 21.202 5.895 1.00 2.71 O ATOM 0 H ASP A 4 6.967 22.491 2.374 1.00 1.16 H new ATOM 0 HA ASP A 4 7.620 19.617 2.349 1.00 1.32 H new ATOM 0 HB2 ASP A 4 5.402 21.187 3.730 1.00 1.55 H new ATOM 0 HB3 ASP A 4 5.643 19.456 3.862 1.00 1.55 H new ATOM 38 N ASN A 5 5.928 20.832 0.167 1.00 1.09 N ATOM 39 CA ASN A 5 5.015 20.638 -0.954 1.00 1.25 C ATOM 40 C ASN A 5 4.999 19.172 -1.367 1.00 1.13 C ATOM 41 O ASN A 5 3.991 18.658 -1.852 1.00 1.48 O ATOM 42 CB ASN A 5 5.428 21.516 -2.139 1.00 1.53 C ATOM 43 CG ASN A 5 4.308 22.427 -2.602 1.00 2.03 C ATOM 44 OD1 ASN A 5 4.532 23.596 -2.918 1.00 2.64 O ATOM 45 ND2 ASN A 5 3.092 21.895 -2.645 1.00 2.27 N ATOM 0 H ASN A 5 6.623 21.564 0.023 1.00 1.09 H new ATOM 0 HA ASN A 5 4.012 20.928 -0.641 1.00 1.25 H new ATOM 0 HB2 ASN A 5 6.291 22.120 -1.857 1.00 1.53 H new ATOM 0 HB3 ASN A 5 5.741 20.880 -2.967 1.00 1.53 H new ATOM 0 HD21 ASN A 5 2.299 22.460 -2.949 1.00 2.27 H new ATOM 0 HD22 ASN A 5 2.951 20.922 -2.374 1.00 2.27 H new ATOM 52 N ILE A 6 6.126 18.508 -1.149 1.00 0.80 N ATOM 53 CA ILE A 6 6.262 17.099 -1.472 1.00 0.71 C ATOM 54 C ILE A 6 5.678 16.244 -0.357 1.00 0.63 C ATOM 55 O ILE A 6 4.948 15.285 -0.607 1.00 0.60 O ATOM 56 CB ILE A 6 7.738 16.719 -1.676 1.00 0.75 C ATOM 57 CG1 ILE A 6 8.427 17.725 -2.601 1.00 1.10 C ATOM 58 CG2 ILE A 6 7.846 15.314 -2.238 1.00 1.03 C ATOM 59 CD1 ILE A 6 9.926 17.537 -2.687 1.00 1.80 C ATOM 0 H ILE A 6 6.964 18.929 -0.747 1.00 0.80 H new ATOM 0 HA ILE A 6 5.718 16.917 -2.399 1.00 0.71 H new ATOM 0 HB ILE A 6 8.241 16.744 -0.709 1.00 0.75 H new ATOM 0 HG12 ILE A 6 8.000 17.639 -3.600 1.00 1.10 H new ATOM 0 HG13 ILE A 6 8.215 18.735 -2.249 1.00 1.10 H new ATOM 0 HG21 ILE A 6 8.896 15.058 -2.378 1.00 1.03 H new ATOM 0 HG22 ILE A 6 7.389 14.608 -1.544 1.00 1.03 H new ATOM 0 HG23 ILE A 6 7.330 15.265 -3.197 1.00 1.03 H new ATOM 0 HD11 ILE A 6 10.348 18.284 -3.359 1.00 1.80 H new ATOM 0 HD12 ILE A 6 10.365 17.652 -1.696 1.00 1.80 H new ATOM 0 HD13 ILE A 6 10.146 16.540 -3.068 1.00 1.80 H new ATOM 71 N GLU A 7 6.001 16.612 0.880 1.00 0.66 N ATOM 72 CA GLU A 7 5.508 15.896 2.051 1.00 0.63 C ATOM 73 C GLU A 7 3.986 15.816 2.033 1.00 0.59 C ATOM 74 O GLU A 7 3.394 14.898 2.599 1.00 0.56 O ATOM 75 CB GLU A 7 5.980 16.585 3.333 1.00 0.76 C ATOM 76 CG GLU A 7 6.050 15.656 4.533 1.00 0.78 C ATOM 77 CD GLU A 7 7.475 15.288 4.904 1.00 1.41 C ATOM 78 OE1 GLU A 7 8.086 16.019 5.710 1.00 1.96 O ATOM 79 OE2 GLU A 7 7.978 14.269 4.386 1.00 2.15 O ATOM 0 H GLU A 7 6.604 17.405 1.097 1.00 0.66 H new ATOM 0 HA GLU A 7 5.909 14.883 2.025 1.00 0.63 H new ATOM 0 HB2 GLU A 7 6.966 17.018 3.161 1.00 0.76 H new ATOM 0 HB3 GLU A 7 5.305 17.410 3.562 1.00 0.76 H new ATOM 0 HG2 GLU A 7 5.568 16.134 5.386 1.00 0.78 H new ATOM 0 HG3 GLU A 7 5.488 14.747 4.317 1.00 0.78 H new ATOM 86 N GLN A 8 3.359 16.781 1.369 1.00 0.64 N ATOM 87 CA GLN A 8 1.908 16.815 1.264 1.00 0.64 C ATOM 88 C GLN A 8 1.431 15.784 0.250 1.00 0.58 C ATOM 89 O GLN A 8 0.463 15.058 0.486 1.00 0.60 O ATOM 90 CB GLN A 8 1.442 18.213 0.854 1.00 0.74 C ATOM 91 CG GLN A 8 -0.060 18.417 0.984 1.00 1.08 C ATOM 92 CD GLN A 8 -0.711 18.815 -0.327 1.00 1.55 C ATOM 93 OE1 GLN A 8 -0.828 20.000 -0.640 1.00 2.21 O ATOM 94 NE2 GLN A 8 -1.138 17.824 -1.100 1.00 2.21 N ATOM 0 H GLN A 8 3.835 17.549 0.896 1.00 0.64 H new ATOM 0 HA GLN A 8 1.480 16.574 2.237 1.00 0.64 H new ATOM 0 HB2 GLN A 8 1.955 18.953 1.469 1.00 0.74 H new ATOM 0 HB3 GLN A 8 1.737 18.397 -0.179 1.00 0.74 H new ATOM 0 HG2 GLN A 8 -0.518 17.497 1.348 1.00 1.08 H new ATOM 0 HG3 GLN A 8 -0.255 19.187 1.731 1.00 1.08 H new ATOM 0 HE21 GLN A 8 -1.020 16.856 -0.800 1.00 2.21 H new ATOM 0 HE22 GLN A 8 -1.584 18.030 -1.994 1.00 2.21 H new ATOM 103 N LYS A 9 2.127 15.722 -0.879 1.00 0.56 N ATOM 104 CA LYS A 9 1.790 14.780 -1.937 1.00 0.54 C ATOM 105 C LYS A 9 1.893 13.346 -1.434 1.00 0.47 C ATOM 106 O LYS A 9 1.029 12.514 -1.716 1.00 0.52 O ATOM 107 CB LYS A 9 2.713 14.980 -3.141 1.00 0.59 C ATOM 108 CG LYS A 9 2.058 14.643 -4.470 1.00 0.86 C ATOM 109 CD LYS A 9 3.088 14.512 -5.580 1.00 1.16 C ATOM 110 CE LYS A 9 2.738 13.382 -6.535 1.00 1.65 C ATOM 111 NZ LYS A 9 1.968 13.868 -7.713 1.00 2.42 N ATOM 0 H LYS A 9 2.931 16.315 -1.085 1.00 0.56 H new ATOM 0 HA LYS A 9 0.761 14.967 -2.245 1.00 0.54 H new ATOM 0 HB2 LYS A 9 3.049 16.017 -3.163 1.00 0.59 H new ATOM 0 HB3 LYS A 9 3.601 14.360 -3.015 1.00 0.59 H new ATOM 0 HG2 LYS A 9 1.501 13.711 -4.377 1.00 0.86 H new ATOM 0 HG3 LYS A 9 1.338 15.419 -4.730 1.00 0.86 H new ATOM 0 HD2 LYS A 9 3.151 15.450 -6.132 1.00 1.16 H new ATOM 0 HD3 LYS A 9 4.071 14.331 -5.146 1.00 1.16 H new ATOM 0 HE2 LYS A 9 3.653 12.897 -6.875 1.00 1.65 H new ATOM 0 HE3 LYS A 9 2.155 12.628 -6.007 1.00 1.65 H new ATOM 0 HZ1 LYS A 9 1.749 13.067 -8.339 1.00 2.42 H new ATOM 0 HZ2 LYS A 9 1.082 14.308 -7.391 1.00 2.42 H new ATOM 0 HZ3 LYS A 9 2.534 14.569 -8.232 1.00 2.42 H new ATOM 125 N ILE A 10 2.953 13.060 -0.684 1.00 0.42 N ATOM 126 CA ILE A 10 3.153 11.722 -0.147 1.00 0.38 C ATOM 127 C ILE A 10 2.091 11.384 0.887 1.00 0.38 C ATOM 128 O ILE A 10 1.559 10.277 0.896 1.00 0.38 O ATOM 129 CB ILE A 10 4.539 11.542 0.494 1.00 0.40 C ATOM 130 CG1 ILE A 10 4.870 12.703 1.432 1.00 0.44 C ATOM 131 CG2 ILE A 10 5.606 11.397 -0.577 1.00 0.46 C ATOM 132 CD1 ILE A 10 6.090 12.449 2.292 1.00 0.95 C ATOM 0 H ILE A 10 3.680 13.732 -0.437 1.00 0.42 H new ATOM 0 HA ILE A 10 3.077 11.045 -0.998 1.00 0.38 H new ATOM 0 HB ILE A 10 4.518 10.629 1.089 1.00 0.40 H new ATOM 0 HG12 ILE A 10 5.032 13.604 0.840 1.00 0.44 H new ATOM 0 HG13 ILE A 10 4.013 12.895 2.077 1.00 0.44 H new ATOM 0 HG21 ILE A 10 6.580 11.271 -0.105 1.00 0.46 H new ATOM 0 HG22 ILE A 10 5.386 10.526 -1.194 1.00 0.46 H new ATOM 0 HG23 ILE A 10 5.618 12.290 -1.201 1.00 0.46 H new ATOM 0 HD11 ILE A 10 6.269 13.312 2.934 1.00 0.95 H new ATOM 0 HD12 ILE A 10 5.923 11.566 2.909 1.00 0.95 H new ATOM 0 HD13 ILE A 10 6.958 12.286 1.653 1.00 0.95 H new ATOM 144 N ASP A 11 1.776 12.344 1.757 1.00 0.41 N ATOM 145 CA ASP A 11 0.763 12.131 2.785 1.00 0.46 C ATOM 146 C ASP A 11 -0.486 11.525 2.163 1.00 0.46 C ATOM 147 O ASP A 11 -1.158 10.681 2.763 1.00 0.50 O ATOM 148 CB ASP A 11 0.418 13.450 3.479 1.00 0.54 C ATOM 149 CG ASP A 11 0.076 13.261 4.944 1.00 0.75 C ATOM 150 OD1 ASP A 11 -0.909 12.551 5.236 1.00 1.48 O ATOM 151 OD2 ASP A 11 0.793 13.823 5.798 1.00 1.32 O ATOM 0 H ASP A 11 2.205 13.269 1.769 1.00 0.41 H new ATOM 0 HA ASP A 11 1.161 11.442 3.530 1.00 0.46 H new ATOM 0 HB2 ASP A 11 1.261 14.135 3.391 1.00 0.54 H new ATOM 0 HB3 ASP A 11 -0.425 13.916 2.969 1.00 0.54 H new ATOM 156 N ASP A 12 -0.770 11.943 0.936 1.00 0.46 N ATOM 157 CA ASP A 12 -1.918 11.431 0.206 1.00 0.51 C ATOM 158 C ASP A 12 -1.704 9.960 -0.109 1.00 0.48 C ATOM 159 O ASP A 12 -2.582 9.125 0.115 1.00 0.52 O ATOM 160 CB ASP A 12 -2.131 12.223 -1.086 1.00 0.56 C ATOM 161 CG ASP A 12 -3.127 13.354 -0.914 1.00 0.70 C ATOM 162 OD1 ASP A 12 -2.774 14.361 -0.266 1.00 1.41 O ATOM 163 OD2 ASP A 12 -4.259 13.231 -1.426 1.00 1.28 O ATOM 0 H ASP A 12 -0.220 12.635 0.427 1.00 0.46 H new ATOM 0 HA ASP A 12 -2.809 11.542 0.824 1.00 0.51 H new ATOM 0 HB2 ASP A 12 -1.177 12.631 -1.420 1.00 0.56 H new ATOM 0 HB3 ASP A 12 -2.482 11.550 -1.868 1.00 0.56 H new ATOM 168 N ILE A 13 -0.515 9.647 -0.611 1.00 0.43 N ATOM 169 CA ILE A 13 -0.166 8.275 -0.939 1.00 0.44 C ATOM 170 C ILE A 13 -0.211 7.405 0.310 1.00 0.44 C ATOM 171 O ILE A 13 -0.800 6.330 0.303 1.00 0.47 O ATOM 172 CB ILE A 13 1.237 8.182 -1.573 1.00 0.42 C ATOM 173 CG1 ILE A 13 1.351 9.151 -2.752 1.00 0.44 C ATOM 174 CG2 ILE A 13 1.526 6.755 -2.021 1.00 0.48 C ATOM 175 CD1 ILE A 13 2.693 9.099 -3.451 1.00 0.47 C ATOM 0 H ILE A 13 0.222 10.327 -0.799 1.00 0.43 H new ATOM 0 HA ILE A 13 -0.897 7.918 -1.664 1.00 0.44 H new ATOM 0 HB ILE A 13 1.977 8.461 -0.823 1.00 0.42 H new ATOM 0 HG12 ILE A 13 0.566 8.926 -3.474 1.00 0.44 H new ATOM 0 HG13 ILE A 13 1.175 10.166 -2.396 1.00 0.44 H new ATOM 0 HG21 ILE A 13 2.520 6.708 -2.466 1.00 0.48 H new ATOM 0 HG22 ILE A 13 1.481 6.087 -1.161 1.00 0.48 H new ATOM 0 HG23 ILE A 13 0.784 6.447 -2.758 1.00 0.48 H new ATOM 0 HD11 ILE A 13 2.702 9.812 -4.276 1.00 0.47 H new ATOM 0 HD12 ILE A 13 3.482 9.353 -2.743 1.00 0.47 H new ATOM 0 HD13 ILE A 13 2.863 8.094 -3.838 1.00 0.47 H new ATOM 187 N ASP A 14 0.408 7.886 1.387 1.00 0.43 N ATOM 188 CA ASP A 14 0.433 7.156 2.652 1.00 0.47 C ATOM 189 C ASP A 14 -0.961 6.665 3.028 1.00 0.51 C ATOM 190 O ASP A 14 -1.114 5.614 3.651 1.00 0.55 O ATOM 191 CB ASP A 14 0.986 8.045 3.766 1.00 0.49 C ATOM 192 CG ASP A 14 1.835 7.271 4.756 1.00 0.61 C ATOM 193 OD1 ASP A 14 1.280 6.412 5.470 1.00 1.26 O ATOM 194 OD2 ASP A 14 3.057 7.525 4.814 1.00 1.29 O ATOM 0 H ASP A 14 0.899 8.780 1.408 1.00 0.43 H new ATOM 0 HA ASP A 14 1.083 6.290 2.527 1.00 0.47 H new ATOM 0 HB2 ASP A 14 1.583 8.844 3.327 1.00 0.49 H new ATOM 0 HB3 ASP A 14 0.158 8.519 4.294 1.00 0.49 H new ATOM 199 N HIS A 15 -1.975 7.430 2.639 1.00 0.51 N ATOM 200 CA HIS A 15 -3.354 7.068 2.930 1.00 0.56 C ATOM 201 C HIS A 15 -3.825 5.968 1.989 1.00 0.57 C ATOM 202 O HIS A 15 -4.683 5.155 2.342 1.00 0.62 O ATOM 203 CB HIS A 15 -4.262 8.291 2.796 1.00 0.59 C ATOM 204 CG HIS A 15 -5.493 8.218 3.646 1.00 0.73 C ATOM 205 ND1 HIS A 15 -5.913 7.060 4.265 1.00 0.87 N ATOM 206 CD2 HIS A 15 -6.395 9.171 3.982 1.00 0.98 C ATOM 207 CE1 HIS A 15 -7.021 7.302 4.943 1.00 1.04 C ATOM 208 NE2 HIS A 15 -7.334 8.576 4.788 1.00 1.11 N ATOM 0 H HIS A 15 -1.867 8.303 2.122 1.00 0.51 H new ATOM 0 HA HIS A 15 -3.404 6.699 3.955 1.00 0.56 H new ATOM 0 HB2 HIS A 15 -3.697 9.184 3.064 1.00 0.59 H new ATOM 0 HB3 HIS A 15 -4.557 8.402 1.753 1.00 0.59 H new ATOM 0 HD1 HIS A 15 -5.442 6.157 4.208 1.00 0.87 H new ATOM 0 HD2 HIS A 15 -6.379 10.206 3.673 1.00 0.98 H new ATOM 0 HE1 HIS A 15 -7.576 6.581 5.525 1.00 1.04 H new ATOM 217 N GLU A 16 -3.258 5.946 0.789 1.00 0.54 N ATOM 218 CA GLU A 16 -3.617 4.948 -0.206 1.00 0.57 C ATOM 219 C GLU A 16 -2.826 3.661 0.003 1.00 0.57 C ATOM 220 O GLU A 16 -3.327 2.566 -0.248 1.00 0.63 O ATOM 221 CB GLU A 16 -3.369 5.489 -1.615 1.00 0.56 C ATOM 222 CG GLU A 16 -3.827 6.927 -1.803 1.00 0.57 C ATOM 223 CD GLU A 16 -5.312 7.032 -2.091 1.00 1.30 C ATOM 224 OE1 GLU A 16 -6.107 6.431 -1.338 1.00 1.99 O ATOM 225 OE2 GLU A 16 -5.680 7.717 -3.068 1.00 2.07 O ATOM 0 H GLU A 16 -2.547 6.610 0.483 1.00 0.54 H new ATOM 0 HA GLU A 16 -4.678 4.724 -0.092 1.00 0.57 H new ATOM 0 HB2 GLU A 16 -2.304 5.423 -1.838 1.00 0.56 H new ATOM 0 HB3 GLU A 16 -3.886 4.855 -2.335 1.00 0.56 H new ATOM 0 HG2 GLU A 16 -3.593 7.499 -0.905 1.00 0.57 H new ATOM 0 HG3 GLU A 16 -3.269 7.378 -2.623 1.00 0.57 H new ATOM 232 N ILE A 17 -1.592 3.804 0.469 1.00 0.54 N ATOM 233 CA ILE A 17 -0.725 2.660 0.720 1.00 0.57 C ATOM 234 C ILE A 17 -1.294 1.788 1.833 1.00 0.59 C ATOM 235 O ILE A 17 -1.188 0.562 1.798 1.00 0.62 O ATOM 236 CB ILE A 17 0.695 3.111 1.116 1.00 0.59 C ATOM 237 CG1 ILE A 17 1.227 4.140 0.118 1.00 0.57 C ATOM 238 CG2 ILE A 17 1.629 1.911 1.195 1.00 0.66 C ATOM 239 CD1 ILE A 17 2.235 5.098 0.715 1.00 0.94 C ATOM 0 H ILE A 17 -1.167 4.707 0.682 1.00 0.54 H new ATOM 0 HA ILE A 17 -0.671 2.086 -0.205 1.00 0.57 H new ATOM 0 HB ILE A 17 0.649 3.578 2.100 1.00 0.59 H new ATOM 0 HG12 ILE A 17 1.688 3.617 -0.720 1.00 0.57 H new ATOM 0 HG13 ILE A 17 0.390 4.711 -0.284 1.00 0.57 H new ATOM 0 HG21 ILE A 17 2.628 2.245 1.476 1.00 0.66 H new ATOM 0 HG22 ILE A 17 1.258 1.210 1.942 1.00 0.66 H new ATOM 0 HG23 ILE A 17 1.671 1.418 0.224 1.00 0.66 H new ATOM 0 HD11 ILE A 17 2.569 5.799 -0.050 1.00 0.94 H new ATOM 0 HD12 ILE A 17 1.773 5.648 1.534 1.00 0.94 H new ATOM 0 HD13 ILE A 17 3.091 4.538 1.092 1.00 0.94 H new ATOM 251 N ALA A 18 -1.899 2.438 2.822 1.00 0.58 N ATOM 252 CA ALA A 18 -2.489 1.740 3.956 1.00 0.61 C ATOM 253 C ALA A 18 -3.837 1.131 3.590 1.00 0.62 C ATOM 254 O ALA A 18 -4.195 0.056 4.073 1.00 0.66 O ATOM 255 CB ALA A 18 -2.639 2.691 5.135 1.00 0.65 C ATOM 0 H ALA A 18 -1.993 3.453 2.860 1.00 0.58 H new ATOM 0 HA ALA A 18 -1.821 0.926 4.238 1.00 0.61 H new ATOM 0 HB1 ALA A 18 -3.081 2.159 5.978 1.00 0.65 H new ATOM 0 HB2 ALA A 18 -1.659 3.073 5.421 1.00 0.65 H new ATOM 0 HB3 ALA A 18 -3.284 3.523 4.852 1.00 0.65 H new ATOM 261 N ASP A 19 -4.582 1.822 2.732 1.00 0.61 N ATOM 262 CA ASP A 19 -5.892 1.344 2.302 1.00 0.64 C ATOM 263 C ASP A 19 -5.790 -0.064 1.723 1.00 0.61 C ATOM 264 O ASP A 19 -6.565 -0.951 2.079 1.00 0.66 O ATOM 265 CB ASP A 19 -6.489 2.295 1.263 1.00 0.66 C ATOM 266 CG ASP A 19 -7.982 2.483 1.444 1.00 1.09 C ATOM 267 OD1 ASP A 19 -8.391 2.993 2.508 1.00 1.64 O ATOM 268 OD2 ASP A 19 -8.742 2.123 0.521 1.00 1.79 O ATOM 0 H ASP A 19 -4.302 2.713 2.322 1.00 0.61 H new ATOM 0 HA ASP A 19 -6.547 1.314 3.173 1.00 0.64 H new ATOM 0 HB2 ASP A 19 -5.992 3.263 1.332 1.00 0.66 H new ATOM 0 HB3 ASP A 19 -6.293 1.907 0.264 1.00 0.66 H new ATOM 273 N LEU A 20 -4.824 -0.261 0.833 1.00 0.56 N ATOM 274 CA LEU A 20 -4.616 -1.561 0.208 1.00 0.54 C ATOM 275 C LEU A 20 -4.214 -2.603 1.245 1.00 0.52 C ATOM 276 O LEU A 20 -4.812 -3.675 1.326 1.00 0.50 O ATOM 277 CB LEU A 20 -3.545 -1.467 -0.878 1.00 0.58 C ATOM 278 CG LEU A 20 -3.613 -0.218 -1.757 1.00 0.58 C ATOM 279 CD1 LEU A 20 -2.708 -0.374 -2.968 1.00 0.63 C ATOM 280 CD2 LEU A 20 -5.046 0.061 -2.193 1.00 0.62 C ATOM 0 H LEU A 20 -4.173 0.463 0.528 1.00 0.56 H new ATOM 0 HA LEU A 20 -5.557 -1.870 -0.248 1.00 0.54 H new ATOM 0 HB2 LEU A 20 -2.565 -1.504 -0.403 1.00 0.58 H new ATOM 0 HB3 LEU A 20 -3.622 -2.346 -1.518 1.00 0.58 H new ATOM 0 HG LEU A 20 -3.266 0.633 -1.170 1.00 0.58 H new ATOM 0 HD11 LEU A 20 -2.767 0.523 -3.584 1.00 0.63 H new ATOM 0 HD12 LEU A 20 -1.680 -0.520 -2.637 1.00 0.63 H new ATOM 0 HD13 LEU A 20 -3.027 -1.237 -3.552 1.00 0.63 H new ATOM 0 HD21 LEU A 20 -5.069 0.954 -2.817 1.00 0.62 H new ATOM 0 HD22 LEU A 20 -5.425 -0.788 -2.761 1.00 0.62 H new ATOM 0 HD23 LEU A 20 -5.670 0.217 -1.313 1.00 0.62 H new ATOM 292 N GLN A 21 -3.195 -2.279 2.038 1.00 0.54 N ATOM 293 CA GLN A 21 -2.712 -3.188 3.071 1.00 0.55 C ATOM 294 C GLN A 21 -3.866 -3.719 3.917 1.00 0.53 C ATOM 295 O GLN A 21 -3.813 -4.838 4.426 1.00 0.53 O ATOM 296 CB GLN A 21 -1.694 -2.478 3.966 1.00 0.60 C ATOM 297 CG GLN A 21 -0.682 -3.418 4.602 1.00 0.87 C ATOM 298 CD GLN A 21 0.360 -2.683 5.421 1.00 1.25 C ATOM 299 OE1 GLN A 21 0.818 -1.604 5.043 1.00 1.99 O ATOM 300 NE2 GLN A 21 0.743 -3.265 6.552 1.00 1.74 N ATOM 0 H GLN A 21 -2.689 -1.395 1.984 1.00 0.54 H new ATOM 0 HA GLN A 21 -2.230 -4.033 2.579 1.00 0.55 H new ATOM 0 HB2 GLN A 21 -1.163 -1.731 3.376 1.00 0.60 H new ATOM 0 HB3 GLN A 21 -2.225 -1.943 4.753 1.00 0.60 H new ATOM 0 HG2 GLN A 21 -1.204 -4.131 5.240 1.00 0.87 H new ATOM 0 HG3 GLN A 21 -0.185 -3.994 3.821 1.00 0.87 H new ATOM 0 HE21 GLN A 21 0.338 -4.159 6.828 1.00 1.74 H new ATOM 0 HE22 GLN A 21 1.442 -2.817 7.145 1.00 1.74 H new ATOM 309 N ALA A 22 -4.909 -2.907 4.058 1.00 0.55 N ATOM 310 CA ALA A 22 -6.078 -3.293 4.836 1.00 0.57 C ATOM 311 C ALA A 22 -6.904 -4.341 4.098 1.00 0.55 C ATOM 312 O ALA A 22 -7.461 -5.252 4.711 1.00 0.65 O ATOM 313 CB ALA A 22 -6.930 -2.072 5.150 1.00 0.65 C ATOM 0 H ALA A 22 -4.967 -1.977 3.643 1.00 0.55 H new ATOM 0 HA ALA A 22 -5.733 -3.732 5.772 1.00 0.57 H new ATOM 0 HB1 ALA A 22 -7.800 -2.375 5.732 1.00 0.65 H new ATOM 0 HB2 ALA A 22 -6.342 -1.356 5.724 1.00 0.65 H new ATOM 0 HB3 ALA A 22 -7.259 -1.609 4.220 1.00 0.65 H new ATOM 319 N LYS A 23 -6.978 -4.204 2.778 1.00 0.53 N ATOM 320 CA LYS A 23 -7.736 -5.140 1.954 1.00 0.55 C ATOM 321 C LYS A 23 -7.090 -6.522 1.959 1.00 0.50 C ATOM 322 O LYS A 23 -7.777 -7.540 1.879 1.00 0.57 O ATOM 323 CB LYS A 23 -7.844 -4.623 0.518 1.00 0.61 C ATOM 324 CG LYS A 23 -8.182 -3.143 0.422 1.00 0.70 C ATOM 325 CD LYS A 23 -9.407 -2.792 1.253 1.00 0.79 C ATOM 326 CE LYS A 23 -9.623 -1.289 1.318 1.00 0.96 C ATOM 327 NZ LYS A 23 -10.112 -0.856 2.656 1.00 1.53 N ATOM 0 H LYS A 23 -6.523 -3.455 2.256 1.00 0.53 H new ATOM 0 HA LYS A 23 -8.736 -5.224 2.379 1.00 0.55 H new ATOM 0 HB2 LYS A 23 -6.900 -4.805 0.004 1.00 0.61 H new ATOM 0 HB3 LYS A 23 -8.608 -5.195 -0.008 1.00 0.61 H new ATOM 0 HG2 LYS A 23 -7.331 -2.552 0.761 1.00 0.70 H new ATOM 0 HG3 LYS A 23 -8.360 -2.877 -0.620 1.00 0.70 H new ATOM 0 HD2 LYS A 23 -10.288 -3.269 0.824 1.00 0.79 H new ATOM 0 HD3 LYS A 23 -9.289 -3.188 2.262 1.00 0.79 H new ATOM 0 HE2 LYS A 23 -8.688 -0.778 1.090 1.00 0.96 H new ATOM 0 HE3 LYS A 23 -10.343 -0.992 0.555 1.00 0.96 H new ATOM 0 HZ1 LYS A 23 -10.247 0.175 2.659 1.00 1.53 H new ATOM 0 HZ2 LYS A 23 -11.017 -1.324 2.863 1.00 1.53 H new ATOM 0 HZ3 LYS A 23 -9.414 -1.116 3.382 1.00 1.53 H new ATOM 341 N ARG A 24 -5.764 -6.551 2.046 1.00 0.46 N ATOM 342 CA ARG A 24 -5.028 -7.811 2.056 1.00 0.50 C ATOM 343 C ARG A 24 -5.226 -8.553 3.374 1.00 0.52 C ATOM 344 O ARG A 24 -5.423 -9.767 3.389 1.00 0.60 O ATOM 345 CB ARG A 24 -3.538 -7.554 1.821 1.00 0.61 C ATOM 346 CG ARG A 24 -2.700 -8.822 1.787 1.00 1.15 C ATOM 347 CD ARG A 24 -1.736 -8.822 0.612 1.00 1.41 C ATOM 348 NE ARG A 24 -1.413 -10.176 0.169 1.00 1.70 N ATOM 349 CZ ARG A 24 -0.670 -11.028 0.872 1.00 2.38 C ATOM 350 NH1 ARG A 24 -0.171 -10.670 2.048 1.00 2.89 N ATOM 351 NH2 ARG A 24 -0.424 -12.241 0.395 1.00 2.74 N ATOM 0 H ARG A 24 -5.178 -5.719 2.110 1.00 0.46 H new ATOM 0 HA ARG A 24 -5.417 -8.435 1.251 1.00 0.50 H new ATOM 0 HB2 ARG A 24 -3.414 -7.021 0.878 1.00 0.61 H new ATOM 0 HB3 ARG A 24 -3.162 -6.901 2.608 1.00 0.61 H new ATOM 0 HG2 ARG A 24 -2.140 -8.914 2.718 1.00 1.15 H new ATOM 0 HG3 ARG A 24 -3.355 -9.691 1.721 1.00 1.15 H new ATOM 0 HD2 ARG A 24 -2.174 -8.264 -0.216 1.00 1.41 H new ATOM 0 HD3 ARG A 24 -0.819 -8.305 0.895 1.00 1.41 H new ATOM 0 HE ARG A 24 -1.778 -10.487 -0.731 1.00 1.70 H new ATOM 0 HH11 ARG A 24 -0.356 -9.738 2.418 1.00 2.89 H new ATOM 0 HH12 ARG A 24 0.398 -11.327 2.582 1.00 2.89 H new ATOM 0 HH21 ARG A 24 -0.804 -12.520 -0.510 1.00 2.74 H new ATOM 0 HH22 ARG A 24 0.145 -12.895 0.933 1.00 2.74 H new ATOM 365 N THR A 25 -5.168 -7.817 4.478 1.00 0.53 N ATOM 366 CA THR A 25 -5.335 -8.406 5.802 1.00 0.60 C ATOM 367 C THR A 25 -6.732 -8.992 5.974 1.00 0.59 C ATOM 368 O THR A 25 -6.884 -10.165 6.314 1.00 0.67 O ATOM 369 CB THR A 25 -5.085 -7.359 6.884 1.00 0.66 C ATOM 370 OG1 THR A 25 -4.297 -6.295 6.383 1.00 0.77 O ATOM 371 CG2 THR A 25 -4.384 -7.914 8.105 1.00 0.81 C ATOM 0 H THR A 25 -5.006 -6.810 4.483 1.00 0.53 H new ATOM 0 HA THR A 25 -4.607 -9.211 5.900 1.00 0.60 H new ATOM 0 HB THR A 25 -6.075 -7.011 7.180 1.00 0.66 H new ATOM 0 HG1 THR A 25 -4.855 -5.705 5.834 1.00 0.77 H new ATOM 0 HG21 THR A 25 -4.238 -7.117 8.834 1.00 0.81 H new ATOM 0 HG22 THR A 25 -4.993 -8.703 8.547 1.00 0.81 H new ATOM 0 HG23 THR A 25 -3.416 -8.322 7.815 1.00 0.81 H new ATOM 379 N ARG A 26 -7.751 -8.169 5.741 1.00 0.56 N ATOM 380 CA ARG A 26 -9.135 -8.609 5.875 1.00 0.61 C ATOM 381 C ARG A 26 -9.350 -9.920 5.130 1.00 0.58 C ATOM 382 O ARG A 26 -9.960 -10.856 5.651 1.00 0.65 O ATOM 383 CB ARG A 26 -10.090 -7.539 5.343 1.00 0.64 C ATOM 384 CG ARG A 26 -9.882 -7.211 3.874 1.00 0.59 C ATOM 385 CD ARG A 26 -10.816 -6.105 3.412 1.00 1.02 C ATOM 386 NE ARG A 26 -10.962 -6.083 1.959 1.00 1.36 N ATOM 387 CZ ARG A 26 -11.959 -5.472 1.323 1.00 1.88 C ATOM 388 NH1 ARG A 26 -12.897 -4.830 2.008 1.00 2.38 N ATOM 389 NH2 ARG A 26 -12.016 -5.500 -0.001 1.00 2.54 N ATOM 0 H ARG A 26 -7.644 -7.195 5.459 1.00 0.56 H new ATOM 0 HA ARG A 26 -9.344 -8.769 6.933 1.00 0.61 H new ATOM 0 HB2 ARG A 26 -11.116 -7.875 5.489 1.00 0.64 H new ATOM 0 HB3 ARG A 26 -9.966 -6.629 5.930 1.00 0.64 H new ATOM 0 HG2 ARG A 26 -8.848 -6.907 3.711 1.00 0.59 H new ATOM 0 HG3 ARG A 26 -10.050 -8.105 3.273 1.00 0.59 H new ATOM 0 HD2 ARG A 26 -11.795 -6.241 3.873 1.00 1.02 H new ATOM 0 HD3 ARG A 26 -10.434 -5.142 3.753 1.00 1.02 H new ATOM 0 HE ARG A 26 -10.259 -6.564 1.399 1.00 1.36 H new ATOM 0 HH11 ARG A 26 -12.856 -4.803 3.027 1.00 2.38 H new ATOM 0 HH12 ARG A 26 -13.659 -4.363 1.516 1.00 2.38 H new ATOM 0 HH21 ARG A 26 -11.296 -5.990 -0.532 1.00 2.54 H new ATOM 0 HH22 ARG A 26 -12.780 -5.032 -0.489 1.00 2.54 H new ATOM 403 N LEU A 27 -8.824 -9.985 3.913 1.00 0.51 N ATOM 404 CA LEU A 27 -8.941 -11.189 3.104 1.00 0.51 C ATOM 405 C LEU A 27 -8.270 -12.358 3.814 1.00 0.53 C ATOM 406 O LEU A 27 -8.768 -13.483 3.787 1.00 0.59 O ATOM 407 CB LEU A 27 -8.313 -10.975 1.725 1.00 0.47 C ATOM 408 CG LEU A 27 -9.309 -10.702 0.597 1.00 0.66 C ATOM 409 CD1 LEU A 27 -10.173 -9.495 0.925 1.00 1.31 C ATOM 410 CD2 LEU A 27 -8.576 -10.494 -0.720 1.00 1.35 C ATOM 0 H LEU A 27 -8.315 -9.222 3.467 1.00 0.51 H new ATOM 0 HA LEU A 27 -9.998 -11.416 2.967 1.00 0.51 H new ATOM 0 HB2 LEU A 27 -7.617 -10.138 1.785 1.00 0.47 H new ATOM 0 HB3 LEU A 27 -7.728 -11.858 1.467 1.00 0.47 H new ATOM 0 HG LEU A 27 -9.961 -11.570 0.496 1.00 0.66 H new ATOM 0 HD11 LEU A 27 -10.875 -9.318 0.110 1.00 1.31 H new ATOM 0 HD12 LEU A 27 -10.726 -9.683 1.846 1.00 1.31 H new ATOM 0 HD13 LEU A 27 -9.539 -8.618 1.055 1.00 1.31 H new ATOM 0 HD21 LEU A 27 -9.299 -10.301 -1.512 1.00 1.35 H new ATOM 0 HD22 LEU A 27 -7.900 -9.643 -0.630 1.00 1.35 H new ATOM 0 HD23 LEU A 27 -8.002 -11.389 -0.962 1.00 1.35 H new ATOM 422 N VAL A 28 -7.143 -12.079 4.466 1.00 0.54 N ATOM 423 CA VAL A 28 -6.419 -13.107 5.198 1.00 0.62 C ATOM 424 C VAL A 28 -7.274 -13.641 6.335 1.00 0.72 C ATOM 425 O VAL A 28 -7.376 -14.851 6.539 1.00 0.79 O ATOM 426 CB VAL A 28 -5.096 -12.574 5.772 1.00 0.65 C ATOM 427 CG1 VAL A 28 -4.300 -13.696 6.421 1.00 0.77 C ATOM 428 CG2 VAL A 28 -4.277 -11.885 4.689 1.00 0.62 C ATOM 0 H VAL A 28 -6.716 -11.153 4.500 1.00 0.54 H new ATOM 0 HA VAL A 28 -6.191 -13.907 4.493 1.00 0.62 H new ATOM 0 HB VAL A 28 -5.330 -11.837 6.540 1.00 0.65 H new ATOM 0 HG11 VAL A 28 -3.368 -13.297 6.820 1.00 0.77 H new ATOM 0 HG12 VAL A 28 -4.883 -14.135 7.231 1.00 0.77 H new ATOM 0 HG13 VAL A 28 -4.078 -14.462 5.678 1.00 0.77 H new ATOM 0 HG21 VAL A 28 -3.345 -11.516 5.117 1.00 0.62 H new ATOM 0 HG22 VAL A 28 -4.054 -12.596 3.894 1.00 0.62 H new ATOM 0 HG23 VAL A 28 -4.845 -11.049 4.280 1.00 0.62 H new ATOM 438 N GLN A 29 -7.906 -12.725 7.063 1.00 0.76 N ATOM 439 CA GLN A 29 -8.776 -13.100 8.171 1.00 0.87 C ATOM 440 C GLN A 29 -9.804 -14.123 7.701 1.00 0.87 C ATOM 441 O GLN A 29 -10.279 -14.949 8.482 1.00 0.97 O ATOM 442 CB GLN A 29 -9.484 -11.865 8.736 1.00 0.95 C ATOM 443 CG GLN A 29 -8.534 -10.840 9.333 1.00 1.50 C ATOM 444 CD GLN A 29 -8.235 -11.105 10.795 1.00 1.68 C ATOM 445 OE1 GLN A 29 -9.027 -11.729 11.501 1.00 2.23 O ATOM 446 NE2 GLN A 29 -7.084 -10.631 11.260 1.00 2.15 N ATOM 0 H GLN A 29 -7.832 -11.720 6.905 1.00 0.76 H new ATOM 0 HA GLN A 29 -8.167 -13.543 8.960 1.00 0.87 H new ATOM 0 HB2 GLN A 29 -10.062 -11.393 7.942 1.00 0.95 H new ATOM 0 HB3 GLN A 29 -10.192 -12.181 9.502 1.00 0.95 H new ATOM 0 HG2 GLN A 29 -7.601 -10.843 8.769 1.00 1.50 H new ATOM 0 HG3 GLN A 29 -8.967 -9.845 9.229 1.00 1.50 H new ATOM 0 HE21 GLN A 29 -6.456 -10.119 10.641 1.00 2.15 H new ATOM 0 HE22 GLN A 29 -6.829 -10.779 12.236 1.00 2.15 H new ATOM 455 N GLN A 30 -10.128 -14.065 6.412 1.00 0.83 N ATOM 456 CA GLN A 30 -11.084 -14.991 5.822 1.00 0.93 C ATOM 457 C GLN A 30 -10.436 -16.354 5.596 1.00 0.96 C ATOM 458 O GLN A 30 -11.104 -17.386 5.658 1.00 1.09 O ATOM 459 CB GLN A 30 -11.613 -14.436 4.498 1.00 0.98 C ATOM 460 CG GLN A 30 -12.952 -15.025 4.084 1.00 1.46 C ATOM 461 CD GLN A 30 -13.473 -14.433 2.789 1.00 1.70 C ATOM 462 OE1 GLN A 30 -12.922 -14.677 1.716 1.00 2.18 O ATOM 463 NE2 GLN A 30 -14.541 -13.650 2.884 1.00 2.29 N ATOM 0 H GLN A 30 -9.741 -13.385 5.758 1.00 0.83 H new ATOM 0 HA GLN A 30 -11.919 -15.111 6.512 1.00 0.93 H new ATOM 0 HB2 GLN A 30 -11.711 -13.354 4.581 1.00 0.98 H new ATOM 0 HB3 GLN A 30 -10.882 -14.631 3.714 1.00 0.98 H new ATOM 0 HG2 GLN A 30 -12.851 -16.104 3.971 1.00 1.46 H new ATOM 0 HG3 GLN A 30 -13.681 -14.854 4.876 1.00 1.46 H new ATOM 0 HE21 GLN A 30 -14.966 -13.475 3.795 1.00 2.29 H new ATOM 0 HE22 GLN A 30 -14.937 -13.223 2.046 1.00 2.29 H new ATOM 472 N HIS A 31 -9.127 -16.354 5.338 1.00 0.87 N ATOM 473 CA HIS A 31 -8.399 -17.599 5.111 1.00 0.98 C ATOM 474 C HIS A 31 -7.040 -17.578 5.814 1.00 1.03 C ATOM 475 O HIS A 31 -5.997 -17.697 5.173 1.00 1.06 O ATOM 476 CB HIS A 31 -8.213 -17.855 3.613 1.00 0.99 C ATOM 477 CG HIS A 31 -7.305 -16.876 2.940 1.00 1.40 C ATOM 478 ND1 HIS A 31 -7.564 -15.527 2.895 1.00 1.72 N ATOM 479 CD2 HIS A 31 -6.136 -17.053 2.281 1.00 2.18 C ATOM 480 CE1 HIS A 31 -6.600 -14.916 2.235 1.00 2.19 C ATOM 481 NE2 HIS A 31 -5.716 -15.818 1.853 1.00 2.47 N ATOM 0 H HIS A 31 -8.555 -15.512 5.282 1.00 0.87 H new ATOM 0 HA HIS A 31 -8.992 -18.410 5.533 1.00 0.98 H new ATOM 0 HB2 HIS A 31 -7.816 -18.860 3.473 1.00 0.99 H new ATOM 0 HB3 HIS A 31 -9.188 -17.826 3.126 1.00 0.99 H new ATOM 0 HD1 HIS A 31 -8.376 -15.069 3.308 1.00 1.72 H new ATOM 0 HD2 HIS A 31 -5.628 -17.992 2.121 1.00 2.18 H new ATOM 0 HE1 HIS A 31 -6.543 -13.855 2.040 1.00 2.19 H new ATOM 490 N PRO A 32 -7.039 -17.426 7.150 1.00 1.13 N ATOM 491 CA PRO A 32 -5.808 -17.389 7.938 1.00 1.29 C ATOM 492 C PRO A 32 -5.252 -18.782 8.212 1.00 1.57 C ATOM 493 O PRO A 32 -4.041 -18.967 8.332 1.00 2.23 O ATOM 494 CB PRO A 32 -6.256 -16.726 9.237 1.00 1.44 C ATOM 495 CG PRO A 32 -7.681 -17.134 9.390 1.00 1.39 C ATOM 496 CD PRO A 32 -8.238 -17.277 7.996 1.00 1.19 C ATOM 0 HA PRO A 32 -5.003 -16.863 7.424 1.00 1.29 H new ATOM 0 HB2 PRO A 32 -5.654 -17.061 10.082 1.00 1.44 H new ATOM 0 HB3 PRO A 32 -6.157 -15.642 9.184 1.00 1.44 H new ATOM 0 HG2 PRO A 32 -7.759 -18.074 9.937 1.00 1.39 H new ATOM 0 HG3 PRO A 32 -8.239 -16.388 9.956 1.00 1.39 H new ATOM 0 HD2 PRO A 32 -8.895 -18.143 7.915 1.00 1.19 H new ATOM 0 HD3 PRO A 32 -8.824 -16.404 7.708 1.00 1.19 H new ATOM 504 N ARG A 33 -6.147 -19.758 8.310 1.00 1.74 N ATOM 505 CA ARG A 33 -5.749 -21.136 8.571 1.00 2.03 C ATOM 506 C ARG A 33 -5.361 -21.845 7.278 1.00 3.00 C ATOM 507 O ARG A 33 -4.993 -23.019 7.287 1.00 3.75 O ATOM 508 CB ARG A 33 -6.887 -21.895 9.259 1.00 1.88 C ATOM 509 CG ARG A 33 -7.440 -21.182 10.483 1.00 2.44 C ATOM 510 CD ARG A 33 -8.958 -21.248 10.530 1.00 3.16 C ATOM 511 NE ARG A 33 -9.462 -21.305 11.900 1.00 3.92 N ATOM 512 CZ ARG A 33 -9.570 -20.243 12.695 1.00 4.70 C ATOM 513 NH1 ARG A 33 -9.210 -19.041 12.261 1.00 4.92 N ATOM 514 NH2 ARG A 33 -10.039 -20.382 13.927 1.00 5.58 N ATOM 0 H ARG A 33 -7.153 -19.621 8.213 1.00 1.74 H new ATOM 0 HA ARG A 33 -4.881 -21.118 9.230 1.00 2.03 H new ATOM 0 HB2 ARG A 33 -7.694 -22.050 8.543 1.00 1.88 H new ATOM 0 HB3 ARG A 33 -6.529 -22.881 9.554 1.00 1.88 H new ATOM 0 HG2 ARG A 33 -7.027 -21.633 11.385 1.00 2.44 H new ATOM 0 HG3 ARG A 33 -7.121 -20.140 10.473 1.00 2.44 H new ATOM 0 HD2 ARG A 33 -9.374 -20.375 10.027 1.00 3.16 H new ATOM 0 HD3 ARG A 33 -9.300 -22.126 9.981 1.00 3.16 H new ATOM 0 HE ARG A 33 -9.748 -22.212 12.269 1.00 3.92 H new ATOM 0 HH11 ARG A 33 -8.849 -18.928 11.314 1.00 4.92 H new ATOM 0 HH12 ARG A 33 -9.295 -18.231 12.875 1.00 4.92 H new ATOM 0 HH21 ARG A 33 -10.317 -21.303 14.266 1.00 5.58 H new ATOM 0 HH22 ARG A 33 -10.122 -19.568 14.536 1.00 5.58 H new TER 528 ARG A 33 ATOM 529 N CYS B 1 -16.400 -25.259 -0.751 1.00 5.15 N ATOM 530 CA CYS B 1 -16.396 -24.997 -2.185 1.00 4.44 C ATOM 531 C CYS B 1 -15.080 -24.357 -2.616 1.00 3.68 C ATOM 532 O CYS B 1 -14.379 -24.879 -3.483 1.00 4.02 O ATOM 533 CB CYS B 1 -17.566 -24.087 -2.563 1.00 4.47 C ATOM 534 SG CYS B 1 -19.135 -24.959 -2.789 1.00 5.51 S ATOM 0 H1 CYS B 1 -17.305 -25.694 -0.480 1.00 5.15 H new ATOM 0 H2 CYS B 1 -15.620 -25.905 -0.514 1.00 5.15 H new ATOM 0 H3 CYS B 1 -16.278 -24.365 -0.234 1.00 5.15 H new ATOM 0 HA CYS B 1 -16.504 -25.950 -2.703 1.00 4.44 H new ATOM 0 HB2 CYS B 1 -17.691 -23.332 -1.787 1.00 4.47 H new ATOM 0 HB3 CYS B 1 -17.319 -23.560 -3.484 1.00 4.47 H new ATOM 0 HG CYS B 1 -20.064 -24.106 -3.104 1.00 5.51 H new ATOM 540 N GLY B 2 -14.752 -23.222 -2.007 1.00 3.11 N ATOM 541 CA GLY B 2 -13.521 -22.530 -2.341 1.00 2.73 C ATOM 542 C GLY B 2 -12.379 -22.896 -1.413 1.00 2.20 C ATOM 543 O GLY B 2 -12.598 -23.457 -0.341 1.00 2.81 O ATOM 0 H GLY B 2 -15.317 -22.769 -1.288 1.00 3.11 H new ATOM 0 HA2 GLY B 2 -13.241 -22.768 -3.367 1.00 2.73 H new ATOM 0 HA3 GLY B 2 -13.690 -21.454 -2.298 1.00 2.73 H new ATOM 547 N GLY B 3 -11.158 -22.576 -1.828 1.00 1.66 N ATOM 548 CA GLY B 3 -9.995 -22.882 -1.016 1.00 1.45 C ATOM 549 C GLY B 3 -9.050 -21.704 -0.889 1.00 1.30 C ATOM 550 O GLY B 3 -9.218 -20.854 -0.015 1.00 1.48 O ATOM 0 H GLY B 3 -10.953 -22.110 -2.712 1.00 1.66 H new ATOM 0 HA2 GLY B 3 -10.320 -23.191 -0.023 1.00 1.45 H new ATOM 0 HA3 GLY B 3 -9.462 -23.726 -1.454 1.00 1.45 H new ATOM 554 N ASP B 4 -8.051 -21.652 -1.766 1.00 1.06 N ATOM 555 CA ASP B 4 -7.075 -20.568 -1.750 1.00 1.10 C ATOM 556 C ASP B 4 -7.480 -19.441 -2.695 1.00 1.01 C ATOM 557 O ASP B 4 -6.675 -18.565 -3.010 1.00 1.22 O ATOM 558 CB ASP B 4 -5.700 -21.092 -2.148 1.00 1.23 C ATOM 559 CG ASP B 4 -5.194 -22.171 -1.210 1.00 1.84 C ATOM 560 OD1 ASP B 4 -5.701 -22.252 -0.072 1.00 2.59 O ATOM 561 OD2 ASP B 4 -4.292 -22.933 -1.614 1.00 2.34 O ATOM 0 H ASP B 4 -7.897 -22.348 -2.496 1.00 1.06 H new ATOM 0 HA ASP B 4 -7.038 -20.172 -0.735 1.00 1.10 H new ATOM 0 HB2 ASP B 4 -5.746 -21.489 -3.162 1.00 1.23 H new ATOM 0 HB3 ASP B 4 -4.990 -20.265 -2.162 1.00 1.23 H new ATOM 566 N ASN B 5 -8.733 -19.461 -3.137 1.00 0.92 N ATOM 567 CA ASN B 5 -9.243 -18.433 -4.038 1.00 1.02 C ATOM 568 C ASN B 5 -8.983 -17.051 -3.455 1.00 0.99 C ATOM 569 O ASN B 5 -8.815 -16.073 -4.184 1.00 1.39 O ATOM 570 CB ASN B 5 -10.741 -18.628 -4.279 1.00 1.19 C ATOM 571 CG ASN B 5 -11.026 -19.716 -5.297 1.00 1.61 C ATOM 572 OD1 ASN B 5 -11.783 -20.649 -5.030 1.00 2.22 O ATOM 573 ND2 ASN B 5 -10.418 -19.600 -6.471 1.00 1.86 N ATOM 0 H ASN B 5 -9.414 -20.178 -2.886 1.00 0.92 H new ATOM 0 HA ASN B 5 -8.723 -18.519 -4.992 1.00 1.02 H new ATOM 0 HB2 ASN B 5 -11.228 -18.879 -3.337 1.00 1.19 H new ATOM 0 HB3 ASN B 5 -11.176 -17.690 -4.623 1.00 1.19 H new ATOM 0 HD21 ASN B 5 -10.570 -20.301 -7.196 1.00 1.86 H new ATOM 0 HD22 ASN B 5 -9.798 -18.809 -6.649 1.00 1.86 H new ATOM 580 N ILE B 6 -8.938 -16.990 -2.130 1.00 0.68 N ATOM 581 CA ILE B 6 -8.683 -15.747 -1.426 1.00 0.63 C ATOM 582 C ILE B 6 -7.195 -15.431 -1.436 1.00 0.56 C ATOM 583 O ILE B 6 -6.786 -14.300 -1.695 1.00 0.53 O ATOM 584 CB ILE B 6 -9.171 -15.827 0.031 1.00 0.67 C ATOM 585 CG1 ILE B 6 -10.592 -16.391 0.090 1.00 0.87 C ATOM 586 CG2 ILE B 6 -9.111 -14.458 0.683 1.00 0.85 C ATOM 587 CD1 ILE B 6 -11.016 -16.812 1.480 1.00 1.57 C ATOM 0 H ILE B 6 -9.076 -17.796 -1.520 1.00 0.68 H new ATOM 0 HA ILE B 6 -9.230 -14.956 -1.939 1.00 0.63 H new ATOM 0 HB ILE B 6 -8.513 -16.500 0.581 1.00 0.67 H new ATOM 0 HG12 ILE B 6 -11.289 -15.640 -0.282 1.00 0.87 H new ATOM 0 HG13 ILE B 6 -10.662 -17.249 -0.578 1.00 0.87 H new ATOM 0 HG21 ILE B 6 -9.459 -14.530 1.713 1.00 0.85 H new ATOM 0 HG22 ILE B 6 -8.083 -14.094 0.672 1.00 0.85 H new ATOM 0 HG23 ILE B 6 -9.747 -13.765 0.133 1.00 0.85 H new ATOM 0 HD11 ILE B 6 -12.033 -17.202 1.448 1.00 1.57 H new ATOM 0 HD12 ILE B 6 -10.342 -17.586 1.847 1.00 1.57 H new ATOM 0 HD13 ILE B 6 -10.978 -15.952 2.148 1.00 1.57 H new ATOM 599 N GLU B 7 -6.388 -16.452 -1.159 1.00 0.60 N ATOM 600 CA GLU B 7 -4.936 -16.306 -1.141 1.00 0.59 C ATOM 601 C GLU B 7 -4.434 -15.745 -2.466 1.00 0.57 C ATOM 602 O GLU B 7 -3.418 -15.055 -2.516 1.00 0.53 O ATOM 603 CB GLU B 7 -4.271 -17.655 -0.855 1.00 0.75 C ATOM 604 CG GLU B 7 -3.121 -17.569 0.135 1.00 0.78 C ATOM 605 CD GLU B 7 -2.331 -18.860 0.224 1.00 1.29 C ATOM 606 OE1 GLU B 7 -1.509 -19.116 -0.681 1.00 1.93 O ATOM 607 OE2 GLU B 7 -2.534 -19.614 1.198 1.00 1.94 O ATOM 0 H GLU B 7 -6.717 -17.393 -0.943 1.00 0.60 H new ATOM 0 HA GLU B 7 -4.672 -15.606 -0.348 1.00 0.59 H new ATOM 0 HB2 GLU B 7 -5.021 -18.346 -0.469 1.00 0.75 H new ATOM 0 HB3 GLU B 7 -3.903 -18.075 -1.791 1.00 0.75 H new ATOM 0 HG2 GLU B 7 -2.454 -16.758 -0.158 1.00 0.78 H new ATOM 0 HG3 GLU B 7 -3.513 -17.318 1.121 1.00 0.78 H new ATOM 614 N GLN B 8 -5.162 -16.041 -3.537 1.00 0.64 N ATOM 615 CA GLN B 8 -4.799 -15.557 -4.861 1.00 0.69 C ATOM 616 C GLN B 8 -5.214 -14.099 -5.018 1.00 0.63 C ATOM 617 O GLN B 8 -4.461 -13.273 -5.539 1.00 0.67 O ATOM 618 CB GLN B 8 -5.466 -16.414 -5.940 1.00 0.82 C ATOM 619 CG GLN B 8 -4.660 -16.513 -7.224 1.00 1.18 C ATOM 620 CD GLN B 8 -3.663 -17.655 -7.200 1.00 1.54 C ATOM 621 OE1 GLN B 8 -4.043 -18.826 -7.206 1.00 2.16 O ATOM 622 NE2 GLN B 8 -2.379 -17.319 -7.173 1.00 2.22 N ATOM 0 H GLN B 8 -6.006 -16.613 -3.513 1.00 0.64 H new ATOM 0 HA GLN B 8 -3.718 -15.630 -4.976 1.00 0.69 H new ATOM 0 HB2 GLN B 8 -5.630 -17.417 -5.546 1.00 0.82 H new ATOM 0 HB3 GLN B 8 -6.447 -15.997 -6.168 1.00 0.82 H new ATOM 0 HG2 GLN B 8 -5.340 -16.646 -8.066 1.00 1.18 H new ATOM 0 HG3 GLN B 8 -4.129 -15.575 -7.389 1.00 1.18 H new ATOM 0 HE21 GLN B 8 -2.109 -16.335 -7.169 1.00 2.22 H new ATOM 0 HE22 GLN B 8 -1.662 -18.045 -7.156 1.00 2.22 H new ATOM 631 N LYS B 9 -6.418 -13.793 -4.552 1.00 0.57 N ATOM 632 CA LYS B 9 -6.946 -12.438 -4.627 1.00 0.58 C ATOM 633 C LYS B 9 -6.059 -11.468 -3.857 1.00 0.50 C ATOM 634 O LYS B 9 -5.869 -10.323 -4.271 1.00 0.59 O ATOM 635 CB LYS B 9 -8.373 -12.391 -4.076 1.00 0.64 C ATOM 636 CG LYS B 9 -9.439 -12.665 -5.124 1.00 1.01 C ATOM 637 CD LYS B 9 -10.826 -12.306 -4.615 1.00 1.26 C ATOM 638 CE LYS B 9 -11.884 -13.244 -5.173 1.00 1.86 C ATOM 639 NZ LYS B 9 -13.147 -12.526 -5.498 1.00 2.37 N ATOM 0 H LYS B 9 -7.048 -14.467 -4.117 1.00 0.57 H new ATOM 0 HA LYS B 9 -6.960 -12.137 -5.675 1.00 0.58 H new ATOM 0 HB2 LYS B 9 -8.468 -13.122 -3.273 1.00 0.64 H new ATOM 0 HB3 LYS B 9 -8.552 -11.410 -3.636 1.00 0.64 H new ATOM 0 HG2 LYS B 9 -9.221 -12.091 -6.025 1.00 1.01 H new ATOM 0 HG3 LYS B 9 -9.414 -13.718 -5.403 1.00 1.01 H new ATOM 0 HD2 LYS B 9 -10.838 -12.349 -3.526 1.00 1.26 H new ATOM 0 HD3 LYS B 9 -11.063 -11.280 -4.896 1.00 1.26 H new ATOM 0 HE2 LYS B 9 -11.501 -13.730 -6.071 1.00 1.86 H new ATOM 0 HE3 LYS B 9 -12.090 -14.031 -4.448 1.00 1.86 H new ATOM 0 HZ1 LYS B 9 -13.843 -13.201 -5.876 1.00 2.37 H new ATOM 0 HZ2 LYS B 9 -13.526 -12.083 -4.637 1.00 2.37 H new ATOM 0 HZ3 LYS B 9 -12.956 -11.792 -6.209 1.00 2.37 H new ATOM 653 N ILE B 10 -5.512 -11.928 -2.735 1.00 0.41 N ATOM 654 CA ILE B 10 -4.646 -11.087 -1.922 1.00 0.38 C ATOM 655 C ILE B 10 -3.314 -10.843 -2.612 1.00 0.36 C ATOM 656 O ILE B 10 -2.820 -9.718 -2.634 1.00 0.37 O ATOM 657 CB ILE B 10 -4.380 -11.681 -0.528 1.00 0.42 C ATOM 658 CG1 ILE B 10 -3.947 -13.145 -0.620 1.00 0.41 C ATOM 659 CG2 ILE B 10 -5.610 -11.541 0.353 1.00 0.54 C ATOM 660 CD1 ILE B 10 -3.465 -13.713 0.697 1.00 1.11 C ATOM 0 H ILE B 10 -5.653 -12.871 -2.372 1.00 0.41 H new ATOM 0 HA ILE B 10 -5.179 -10.144 -1.797 1.00 0.38 H new ATOM 0 HB ILE B 10 -3.562 -11.121 -0.076 1.00 0.42 H new ATOM 0 HG12 ILE B 10 -4.785 -13.742 -0.980 1.00 0.41 H new ATOM 0 HG13 ILE B 10 -3.151 -13.235 -1.359 1.00 0.41 H new ATOM 0 HG21 ILE B 10 -5.404 -11.966 1.335 1.00 0.54 H new ATOM 0 HG22 ILE B 10 -5.863 -10.486 0.460 1.00 0.54 H new ATOM 0 HG23 ILE B 10 -6.447 -12.070 -0.103 1.00 0.54 H new ATOM 0 HD11 ILE B 10 -3.174 -14.754 0.559 1.00 1.11 H new ATOM 0 HD12 ILE B 10 -2.607 -13.140 1.048 1.00 1.11 H new ATOM 0 HD13 ILE B 10 -4.266 -13.655 1.433 1.00 1.11 H new ATOM 672 N ASP B 11 -2.736 -11.896 -3.187 1.00 0.39 N ATOM 673 CA ASP B 11 -1.462 -11.771 -3.887 1.00 0.47 C ATOM 674 C ASP B 11 -1.513 -10.589 -4.844 1.00 0.48 C ATOM 675 O ASP B 11 -0.525 -9.878 -5.040 1.00 0.52 O ATOM 676 CB ASP B 11 -1.142 -13.057 -4.653 1.00 0.58 C ATOM 677 CG ASP B 11 0.328 -13.420 -4.585 1.00 0.84 C ATOM 678 OD1 ASP B 11 1.131 -12.781 -5.298 1.00 1.45 O ATOM 679 OD2 ASP B 11 0.676 -14.344 -3.820 1.00 1.51 O ATOM 0 H ASP B 11 -3.127 -12.838 -3.182 1.00 0.39 H new ATOM 0 HA ASP B 11 -0.674 -11.603 -3.153 1.00 0.47 H new ATOM 0 HB2 ASP B 11 -1.735 -13.876 -4.246 1.00 0.58 H new ATOM 0 HB3 ASP B 11 -1.436 -12.938 -5.696 1.00 0.58 H new ATOM 684 N ASP B 12 -2.693 -10.370 -5.412 1.00 0.48 N ATOM 685 CA ASP B 12 -2.901 -9.259 -6.328 1.00 0.53 C ATOM 686 C ASP B 12 -2.792 -7.947 -5.568 1.00 0.49 C ATOM 687 O ASP B 12 -2.101 -7.019 -5.992 1.00 0.54 O ATOM 688 CB ASP B 12 -4.270 -9.369 -7.004 1.00 0.60 C ATOM 689 CG ASP B 12 -4.205 -9.082 -8.491 1.00 0.75 C ATOM 690 OD1 ASP B 12 -3.813 -9.990 -9.255 1.00 1.32 O ATOM 691 OD2 ASP B 12 -4.546 -7.951 -8.893 1.00 1.44 O ATOM 0 H ASP B 12 -3.519 -10.947 -5.254 1.00 0.48 H new ATOM 0 HA ASP B 12 -2.135 -9.290 -7.103 1.00 0.53 H new ATOM 0 HB2 ASP B 12 -4.670 -10.371 -6.847 1.00 0.60 H new ATOM 0 HB3 ASP B 12 -4.962 -8.672 -6.532 1.00 0.60 H new ATOM 696 N ILE B 13 -3.467 -7.888 -4.424 1.00 0.43 N ATOM 697 CA ILE B 13 -3.437 -6.702 -3.584 1.00 0.44 C ATOM 698 C ILE B 13 -2.015 -6.415 -3.123 1.00 0.42 C ATOM 699 O ILE B 13 -1.537 -5.290 -3.229 1.00 0.45 O ATOM 700 CB ILE B 13 -4.347 -6.861 -2.348 1.00 0.43 C ATOM 701 CG1 ILE B 13 -5.751 -7.296 -2.773 1.00 0.46 C ATOM 702 CG2 ILE B 13 -4.405 -5.560 -1.558 1.00 0.55 C ATOM 703 CD1 ILE B 13 -6.711 -7.455 -1.615 1.00 0.50 C ATOM 0 H ILE B 13 -4.040 -8.649 -4.060 1.00 0.43 H new ATOM 0 HA ILE B 13 -3.806 -5.870 -4.183 1.00 0.44 H new ATOM 0 HB ILE B 13 -3.927 -7.634 -1.705 1.00 0.43 H new ATOM 0 HG12 ILE B 13 -6.154 -6.562 -3.471 1.00 0.46 H new ATOM 0 HG13 ILE B 13 -5.682 -8.242 -3.310 1.00 0.46 H new ATOM 0 HG21 ILE B 13 -5.051 -5.690 -0.690 1.00 0.55 H new ATOM 0 HG22 ILE B 13 -3.402 -5.290 -1.227 1.00 0.55 H new ATOM 0 HG23 ILE B 13 -4.803 -4.767 -2.191 1.00 0.55 H new ATOM 0 HD11 ILE B 13 -7.686 -7.765 -1.991 1.00 0.50 H new ATOM 0 HD12 ILE B 13 -6.330 -8.210 -0.928 1.00 0.50 H new ATOM 0 HD13 ILE B 13 -6.809 -6.504 -1.091 1.00 0.50 H new ATOM 715 N ASP B 14 -1.338 -7.445 -2.621 1.00 0.40 N ATOM 716 CA ASP B 14 0.038 -7.309 -2.150 1.00 0.43 C ATOM 717 C ASP B 14 0.898 -6.581 -3.179 1.00 0.46 C ATOM 718 O ASP B 14 1.833 -5.862 -2.824 1.00 0.48 O ATOM 719 CB ASP B 14 0.636 -8.685 -1.856 1.00 0.44 C ATOM 720 CG ASP B 14 1.594 -8.660 -0.682 1.00 0.51 C ATOM 721 OD1 ASP B 14 1.303 -7.956 0.308 1.00 1.32 O ATOM 722 OD2 ASP B 14 2.637 -9.346 -0.752 1.00 1.13 O ATOM 0 H ASP B 14 -1.721 -8.386 -2.530 1.00 0.40 H new ATOM 0 HA ASP B 14 0.023 -6.721 -1.233 1.00 0.43 H new ATOM 0 HB2 ASP B 14 -0.168 -9.391 -1.650 1.00 0.44 H new ATOM 0 HB3 ASP B 14 1.159 -9.047 -2.741 1.00 0.44 H new ATOM 727 N HIS B 15 0.571 -6.767 -4.453 1.00 0.47 N ATOM 728 CA HIS B 15 1.309 -6.121 -5.529 1.00 0.52 C ATOM 729 C HIS B 15 0.919 -4.653 -5.633 1.00 0.53 C ATOM 730 O HIS B 15 1.715 -3.816 -6.061 1.00 0.56 O ATOM 731 CB HIS B 15 1.035 -6.827 -6.857 1.00 0.56 C ATOM 732 CG HIS B 15 2.051 -6.525 -7.915 1.00 0.76 C ATOM 733 ND1 HIS B 15 3.044 -5.580 -7.757 1.00 0.92 N ATOM 734 CD2 HIS B 15 2.226 -7.048 -9.151 1.00 1.01 C ATOM 735 CE1 HIS B 15 3.784 -5.535 -8.850 1.00 1.12 C ATOM 736 NE2 HIS B 15 3.309 -6.417 -9.710 1.00 1.19 N ATOM 0 H HIS B 15 -0.199 -7.359 -4.764 1.00 0.47 H new ATOM 0 HA HIS B 15 2.374 -6.187 -5.305 1.00 0.52 H new ATOM 0 HB2 HIS B 15 1.007 -7.903 -6.688 1.00 0.56 H new ATOM 0 HB3 HIS B 15 0.049 -6.535 -7.218 1.00 0.56 H new ATOM 0 HD1 HIS B 15 3.185 -5.006 -6.926 1.00 0.92 H new ATOM 0 HD2 HIS B 15 1.625 -7.818 -9.612 1.00 1.01 H new ATOM 0 HE1 HIS B 15 4.633 -4.887 -9.013 1.00 1.12 H new ATOM 745 N GLU B 16 -0.311 -4.348 -5.236 1.00 0.52 N ATOM 746 CA GLU B 16 -0.812 -2.983 -5.283 1.00 0.56 C ATOM 747 C GLU B 16 -0.419 -2.215 -4.027 1.00 0.57 C ATOM 748 O GLU B 16 -0.157 -1.014 -4.076 1.00 0.64 O ATOM 749 CB GLU B 16 -2.333 -2.982 -5.443 1.00 0.58 C ATOM 750 CG GLU B 16 -2.838 -3.992 -6.460 1.00 0.59 C ATOM 751 CD GLU B 16 -2.780 -3.467 -7.882 1.00 1.29 C ATOM 752 OE1 GLU B 16 -2.955 -2.246 -8.071 1.00 1.99 O ATOM 753 OE2 GLU B 16 -2.560 -4.278 -8.805 1.00 2.03 O ATOM 0 H GLU B 16 -0.979 -5.030 -4.878 1.00 0.52 H new ATOM 0 HA GLU B 16 -0.363 -2.487 -6.144 1.00 0.56 H new ATOM 0 HB2 GLU B 16 -2.792 -3.191 -4.477 1.00 0.58 H new ATOM 0 HB3 GLU B 16 -2.658 -1.985 -5.741 1.00 0.58 H new ATOM 0 HG2 GLU B 16 -2.243 -4.903 -6.388 1.00 0.59 H new ATOM 0 HG3 GLU B 16 -3.866 -4.263 -6.218 1.00 0.59 H new ATOM 760 N ILE B 17 -0.377 -2.920 -2.902 1.00 0.53 N ATOM 761 CA ILE B 17 -0.015 -2.316 -1.627 1.00 0.57 C ATOM 762 C ILE B 17 1.427 -1.820 -1.657 1.00 0.57 C ATOM 763 O ILE B 17 1.762 -0.803 -1.047 1.00 0.61 O ATOM 764 CB ILE B 17 -0.176 -3.318 -0.465 1.00 0.58 C ATOM 765 CG1 ILE B 17 -1.549 -3.990 -0.523 1.00 0.58 C ATOM 766 CG2 ILE B 17 0.017 -2.616 0.872 1.00 0.66 C ATOM 767 CD1 ILE B 17 -1.568 -5.379 0.075 1.00 1.06 C ATOM 0 H ILE B 17 -0.591 -3.916 -2.848 1.00 0.53 H new ATOM 0 HA ILE B 17 -0.689 -1.475 -1.466 1.00 0.57 H new ATOM 0 HB ILE B 17 0.589 -4.088 -0.565 1.00 0.58 H new ATOM 0 HG12 ILE B 17 -2.272 -3.367 0.003 1.00 0.58 H new ATOM 0 HG13 ILE B 17 -1.873 -4.046 -1.562 1.00 0.58 H new ATOM 0 HG21 ILE B 17 -0.100 -3.337 1.681 1.00 0.66 H new ATOM 0 HG22 ILE B 17 1.016 -2.182 0.914 1.00 0.66 H new ATOM 0 HG23 ILE B 17 -0.727 -1.826 0.979 1.00 0.66 H new ATOM 0 HD11 ILE B 17 -2.573 -5.794 -0.001 1.00 1.06 H new ATOM 0 HD12 ILE B 17 -0.870 -6.018 -0.466 1.00 1.06 H new ATOM 0 HD13 ILE B 17 -1.275 -5.328 1.124 1.00 1.06 H new ATOM 779 N ALA B 18 2.274 -2.554 -2.371 1.00 0.53 N ATOM 780 CA ALA B 18 3.684 -2.204 -2.489 1.00 0.55 C ATOM 781 C ALA B 18 3.895 -1.093 -3.513 1.00 0.55 C ATOM 782 O ALA B 18 4.744 -0.222 -3.330 1.00 0.57 O ATOM 783 CB ALA B 18 4.499 -3.434 -2.864 1.00 0.58 C ATOM 0 H ALA B 18 2.007 -3.398 -2.878 1.00 0.53 H new ATOM 0 HA ALA B 18 4.024 -1.834 -1.522 1.00 0.55 H new ATOM 0 HB1 ALA B 18 5.551 -3.161 -2.950 1.00 0.58 H new ATOM 0 HB2 ALA B 18 4.383 -4.196 -2.093 1.00 0.58 H new ATOM 0 HB3 ALA B 18 4.147 -3.827 -3.818 1.00 0.58 H new ATOM 789 N ASP B 19 3.115 -1.129 -4.590 1.00 0.55 N ATOM 790 CA ASP B 19 3.219 -0.123 -5.643 1.00 0.57 C ATOM 791 C ASP B 19 3.106 1.284 -5.063 1.00 0.55 C ATOM 792 O ASP B 19 3.864 2.182 -5.430 1.00 0.57 O ATOM 793 CB ASP B 19 2.132 -0.341 -6.696 1.00 0.61 C ATOM 794 CG ASP B 19 2.620 -0.046 -8.101 1.00 0.93 C ATOM 795 OD1 ASP B 19 3.229 -0.946 -8.719 1.00 1.58 O ATOM 796 OD2 ASP B 19 2.395 1.083 -8.583 1.00 1.57 O ATOM 0 H ASP B 19 2.405 -1.842 -4.756 1.00 0.55 H new ATOM 0 HA ASP B 19 4.197 -0.226 -6.114 1.00 0.57 H new ATOM 0 HB2 ASP B 19 1.782 -1.372 -6.645 1.00 0.61 H new ATOM 0 HB3 ASP B 19 1.278 0.297 -6.470 1.00 0.61 H new ATOM 801 N LEU B 20 2.158 1.465 -4.150 1.00 0.52 N ATOM 802 CA LEU B 20 1.948 2.759 -3.516 1.00 0.52 C ATOM 803 C LEU B 20 3.105 3.101 -2.585 1.00 0.50 C ATOM 804 O LEU B 20 3.664 4.196 -2.650 1.00 0.50 O ATOM 805 CB LEU B 20 0.631 2.766 -2.737 1.00 0.57 C ATOM 806 CG LEU B 20 -0.554 2.108 -3.447 1.00 0.58 C ATOM 807 CD1 LEU B 20 -1.855 2.478 -2.754 1.00 0.63 C ATOM 808 CD2 LEU B 20 -0.602 2.510 -4.915 1.00 0.62 C ATOM 0 H LEU B 20 1.524 0.732 -3.833 1.00 0.52 H new ATOM 0 HA LEU B 20 1.899 3.515 -4.300 1.00 0.52 H new ATOM 0 HB2 LEU B 20 0.789 2.260 -1.785 1.00 0.57 H new ATOM 0 HB3 LEU B 20 0.368 3.799 -2.509 1.00 0.57 H new ATOM 0 HG LEU B 20 -0.424 1.027 -3.396 1.00 0.58 H new ATOM 0 HD11 LEU B 20 -2.690 2.003 -3.270 1.00 0.63 H new ATOM 0 HD12 LEU B 20 -1.826 2.137 -1.719 1.00 0.63 H new ATOM 0 HD13 LEU B 20 -1.984 3.560 -2.775 1.00 0.63 H new ATOM 0 HD21 LEU B 20 -1.453 2.029 -5.396 1.00 0.62 H new ATOM 0 HD22 LEU B 20 -0.705 3.592 -4.993 1.00 0.62 H new ATOM 0 HD23 LEU B 20 0.318 2.197 -5.408 1.00 0.62 H new ATOM 820 N GLN B 21 3.459 2.157 -1.717 1.00 0.51 N ATOM 821 CA GLN B 21 4.550 2.358 -0.769 1.00 0.52 C ATOM 822 C GLN B 21 5.811 2.843 -1.477 1.00 0.51 C ATOM 823 O GLN B 21 6.577 3.636 -0.930 1.00 0.51 O ATOM 824 CB GLN B 21 4.842 1.061 -0.013 1.00 0.56 C ATOM 825 CG GLN B 21 5.250 1.278 1.435 1.00 0.88 C ATOM 826 CD GLN B 21 5.068 0.037 2.285 1.00 1.31 C ATOM 827 OE1 GLN B 21 4.250 -0.829 1.973 1.00 1.98 O ATOM 828 NE2 GLN B 21 5.832 -0.057 3.367 1.00 1.93 N ATOM 0 H GLN B 21 3.006 1.246 -1.651 1.00 0.51 H new ATOM 0 HA GLN B 21 4.240 3.124 -0.058 1.00 0.52 H new ATOM 0 HB2 GLN B 21 3.956 0.427 -0.041 1.00 0.56 H new ATOM 0 HB3 GLN B 21 5.636 0.521 -0.528 1.00 0.56 H new ATOM 0 HG2 GLN B 21 6.294 1.589 1.472 1.00 0.88 H new ATOM 0 HG3 GLN B 21 4.660 2.092 1.856 1.00 0.88 H new ATOM 0 HE21 GLN B 21 6.497 0.684 3.588 1.00 1.93 H new ATOM 0 HE22 GLN B 21 5.754 -0.871 3.977 1.00 1.93 H new ATOM 837 N ALA B 22 6.020 2.362 -2.698 1.00 0.52 N ATOM 838 CA ALA B 22 7.187 2.748 -3.481 1.00 0.55 C ATOM 839 C ALA B 22 7.080 4.196 -3.945 1.00 0.54 C ATOM 840 O ALA B 22 8.076 4.915 -4.006 1.00 0.62 O ATOM 841 CB ALA B 22 7.352 1.820 -4.675 1.00 0.60 C ATOM 0 H ALA B 22 5.396 1.704 -3.166 1.00 0.52 H new ATOM 0 HA ALA B 22 8.067 2.661 -2.844 1.00 0.55 H new ATOM 0 HB1 ALA B 22 8.227 2.120 -5.251 1.00 0.60 H new ATOM 0 HB2 ALA B 22 7.482 0.796 -4.325 1.00 0.60 H new ATOM 0 HB3 ALA B 22 6.465 1.878 -5.306 1.00 0.60 H new ATOM 847 N LYS B 23 5.862 4.616 -4.271 1.00 0.54 N ATOM 848 CA LYS B 23 5.621 5.979 -4.730 1.00 0.55 C ATOM 849 C LYS B 23 5.871 6.986 -3.612 1.00 0.49 C ATOM 850 O LYS B 23 6.309 8.110 -3.861 1.00 0.55 O ATOM 851 CB LYS B 23 4.187 6.118 -5.246 1.00 0.59 C ATOM 852 CG LYS B 23 4.021 5.710 -6.700 1.00 0.69 C ATOM 853 CD LYS B 23 2.783 4.851 -6.902 1.00 0.76 C ATOM 854 CE LYS B 23 1.584 5.690 -7.315 1.00 0.96 C ATOM 855 NZ LYS B 23 1.365 6.839 -6.394 1.00 1.43 N ATOM 0 H LYS B 23 5.027 4.032 -4.226 1.00 0.54 H new ATOM 0 HA LYS B 23 6.316 6.189 -5.543 1.00 0.55 H new ATOM 0 HB2 LYS B 23 3.527 5.508 -4.629 1.00 0.59 H new ATOM 0 HB3 LYS B 23 3.867 7.153 -5.129 1.00 0.59 H new ATOM 0 HG2 LYS B 23 3.952 6.602 -7.323 1.00 0.69 H new ATOM 0 HG3 LYS B 23 4.903 5.160 -7.027 1.00 0.69 H new ATOM 0 HD2 LYS B 23 2.982 4.098 -7.665 1.00 0.76 H new ATOM 0 HD3 LYS B 23 2.555 4.317 -5.979 1.00 0.76 H new ATOM 0 HE2 LYS B 23 1.733 6.061 -8.329 1.00 0.96 H new ATOM 0 HE3 LYS B 23 0.692 5.064 -7.333 1.00 0.96 H new ATOM 0 HZ1 LYS B 23 0.442 7.274 -6.595 1.00 1.43 H new ATOM 0 HZ2 LYS B 23 1.383 6.503 -5.410 1.00 1.43 H new ATOM 0 HZ3 LYS B 23 2.117 7.544 -6.533 1.00 1.43 H new ATOM 869 N ARG B 24 5.587 6.578 -2.379 1.00 0.45 N ATOM 870 CA ARG B 24 5.780 7.447 -1.223 1.00 0.47 C ATOM 871 C ARG B 24 7.263 7.603 -0.894 1.00 0.52 C ATOM 872 O ARG B 24 7.730 8.702 -0.599 1.00 0.60 O ATOM 873 CB ARG B 24 5.032 6.888 -0.010 1.00 0.55 C ATOM 874 CG ARG B 24 5.233 7.701 1.259 1.00 1.05 C ATOM 875 CD ARG B 24 3.946 7.815 2.060 1.00 1.09 C ATOM 876 NE ARG B 24 3.830 9.109 2.729 1.00 1.29 N ATOM 877 CZ ARG B 24 4.619 9.501 3.725 1.00 1.81 C ATOM 878 NH1 ARG B 24 5.582 8.705 4.172 1.00 2.28 N ATOM 879 NH2 ARG B 24 4.445 10.693 4.278 1.00 2.12 N ATOM 0 H ARG B 24 5.223 5.652 -2.155 1.00 0.45 H new ATOM 0 HA ARG B 24 5.379 8.430 -1.470 1.00 0.47 H new ATOM 0 HB2 ARG B 24 3.967 6.845 -0.239 1.00 0.55 H new ATOM 0 HB3 ARG B 24 5.361 5.864 0.169 1.00 0.55 H new ATOM 0 HG2 ARG B 24 6.004 7.235 1.872 1.00 1.05 H new ATOM 0 HG3 ARG B 24 5.591 8.698 1.001 1.00 1.05 H new ATOM 0 HD2 ARG B 24 3.093 7.672 1.397 1.00 1.09 H new ATOM 0 HD3 ARG B 24 3.910 7.018 2.803 1.00 1.09 H new ATOM 0 HE ARG B 24 3.101 9.749 2.413 1.00 1.29 H new ATOM 0 HH11 ARG B 24 5.721 7.786 3.751 1.00 2.28 H new ATOM 0 HH12 ARG B 24 6.184 9.012 4.936 1.00 2.28 H new ATOM 0 HH21 ARG B 24 3.706 11.309 3.940 1.00 2.12 H new ATOM 0 HH22 ARG B 24 5.050 10.994 5.042 1.00 2.12 H new ATOM 893 N THR B 25 7.995 6.495 -0.944 1.00 0.52 N ATOM 894 CA THR B 25 9.423 6.507 -0.645 1.00 0.60 C ATOM 895 C THR B 25 10.186 7.382 -1.633 1.00 0.61 C ATOM 896 O THR B 25 10.927 8.282 -1.236 1.00 0.67 O ATOM 897 CB THR B 25 9.985 5.088 -0.682 1.00 0.64 C ATOM 898 OG1 THR B 25 8.960 4.134 -0.473 1.00 0.70 O ATOM 899 CG2 THR B 25 11.061 4.844 0.355 1.00 0.75 C ATOM 0 H THR B 25 7.623 5.577 -1.189 1.00 0.52 H new ATOM 0 HA THR B 25 9.549 6.922 0.355 1.00 0.60 H new ATOM 0 HB THR B 25 10.426 4.979 -1.673 1.00 0.64 H new ATOM 0 HG1 THR B 25 8.424 4.046 -1.289 1.00 0.70 H new ATOM 0 HG21 THR B 25 11.417 3.817 0.275 1.00 0.75 H new ATOM 0 HG22 THR B 25 11.891 5.530 0.187 1.00 0.75 H new ATOM 0 HG23 THR B 25 10.650 5.009 1.351 1.00 0.75 H new ATOM 907 N ARG B 26 10.003 7.112 -2.923 1.00 0.61 N ATOM 908 CA ARG B 26 10.677 7.877 -3.967 1.00 0.68 C ATOM 909 C ARG B 26 10.496 9.370 -3.733 1.00 0.64 C ATOM 910 O ARG B 26 11.447 10.149 -3.822 1.00 0.71 O ATOM 911 CB ARG B 26 10.139 7.488 -5.345 1.00 0.72 C ATOM 912 CG ARG B 26 8.650 7.740 -5.513 1.00 0.67 C ATOM 913 CD ARG B 26 8.163 7.334 -6.895 1.00 1.10 C ATOM 914 NE ARG B 26 9.078 7.766 -7.950 1.00 1.56 N ATOM 915 CZ ARG B 26 10.105 7.042 -8.392 1.00 2.14 C ATOM 916 NH1 ARG B 26 10.358 5.846 -7.872 1.00 2.60 N ATOM 917 NH2 ARG B 26 10.882 7.514 -9.356 1.00 2.89 N ATOM 0 H ARG B 26 9.395 6.370 -3.269 1.00 0.61 H new ATOM 0 HA ARG B 26 11.742 7.646 -3.931 1.00 0.68 H new ATOM 0 HB2 ARG B 26 10.681 8.047 -6.108 1.00 0.72 H new ATOM 0 HB3 ARG B 26 10.342 6.431 -5.519 1.00 0.72 H new ATOM 0 HG2 ARG B 26 8.099 7.183 -4.755 1.00 0.67 H new ATOM 0 HG3 ARG B 26 8.439 8.797 -5.349 1.00 0.67 H new ATOM 0 HD2 ARG B 26 8.050 6.251 -6.935 1.00 1.10 H new ATOM 0 HD3 ARG B 26 7.177 7.764 -7.072 1.00 1.10 H new ATOM 0 HE ARG B 26 8.920 8.680 -8.375 1.00 1.56 H new ATOM 0 HH11 ARG B 26 9.764 5.477 -7.129 1.00 2.60 H new ATOM 0 HH12 ARG B 26 11.146 5.297 -8.215 1.00 2.60 H new ATOM 0 HH21 ARG B 26 10.694 8.432 -9.760 1.00 2.89 H new ATOM 0 HH22 ARG B 26 11.668 6.960 -9.695 1.00 2.89 H new ATOM 931 N LEU B 27 9.269 9.761 -3.414 1.00 0.57 N ATOM 932 CA LEU B 27 8.965 11.157 -3.147 1.00 0.55 C ATOM 933 C LEU B 27 9.768 11.645 -1.948 1.00 0.56 C ATOM 934 O LEU B 27 10.242 12.781 -1.925 1.00 0.61 O ATOM 935 CB LEU B 27 7.469 11.344 -2.892 1.00 0.51 C ATOM 936 CG LEU B 27 6.635 11.657 -4.135 1.00 0.60 C ATOM 937 CD1 LEU B 27 5.152 11.489 -3.840 1.00 1.38 C ATOM 938 CD2 LEU B 27 6.925 13.068 -4.628 1.00 1.34 C ATOM 0 H LEU B 27 8.471 9.131 -3.334 1.00 0.57 H new ATOM 0 HA LEU B 27 9.240 11.745 -4.022 1.00 0.55 H new ATOM 0 HB2 LEU B 27 7.079 10.437 -2.430 1.00 0.51 H new ATOM 0 HB3 LEU B 27 7.337 12.151 -2.172 1.00 0.51 H new ATOM 0 HG LEU B 27 6.910 10.953 -4.921 1.00 0.60 H new ATOM 0 HD11 LEU B 27 4.575 11.716 -4.736 1.00 1.38 H new ATOM 0 HD12 LEU B 27 4.956 10.462 -3.533 1.00 1.38 H new ATOM 0 HD13 LEU B 27 4.861 12.169 -3.039 1.00 1.38 H new ATOM 0 HD21 LEU B 27 6.323 13.275 -5.513 1.00 1.34 H new ATOM 0 HD22 LEU B 27 6.677 13.785 -3.845 1.00 1.34 H new ATOM 0 HD23 LEU B 27 7.982 13.156 -4.879 1.00 1.34 H new ATOM 950 N VAL B 28 9.933 10.770 -0.959 1.00 0.57 N ATOM 951 CA VAL B 28 10.697 11.111 0.233 1.00 0.63 C ATOM 952 C VAL B 28 12.153 11.351 -0.131 1.00 0.73 C ATOM 953 O VAL B 28 12.771 12.310 0.331 1.00 0.79 O ATOM 954 CB VAL B 28 10.619 10.004 1.296 1.00 0.66 C ATOM 955 CG1 VAL B 28 11.289 10.454 2.587 1.00 0.77 C ATOM 956 CG2 VAL B 28 9.173 9.600 1.548 1.00 0.63 C ATOM 0 H VAL B 28 9.549 9.825 -0.961 1.00 0.57 H new ATOM 0 HA VAL B 28 10.261 12.019 0.650 1.00 0.63 H new ATOM 0 HB VAL B 28 11.153 9.131 0.922 1.00 0.66 H new ATOM 0 HG11 VAL B 28 11.224 9.657 3.328 1.00 0.77 H new ATOM 0 HG12 VAL B 28 12.337 10.684 2.392 1.00 0.77 H new ATOM 0 HG13 VAL B 28 10.787 11.344 2.966 1.00 0.77 H new ATOM 0 HG21 VAL B 28 9.141 8.815 2.304 1.00 0.63 H new ATOM 0 HG22 VAL B 28 8.609 10.465 1.899 1.00 0.63 H new ATOM 0 HG23 VAL B 28 8.732 9.230 0.622 1.00 0.63 H new ATOM 966 N GLN B 29 12.689 10.480 -0.980 1.00 0.80 N ATOM 967 CA GLN B 29 14.070 10.605 -1.429 1.00 0.92 C ATOM 968 C GLN B 29 14.309 12.004 -1.985 1.00 0.94 C ATOM 969 O GLN B 29 15.422 12.528 -1.929 1.00 1.02 O ATOM 970 CB GLN B 29 14.383 9.555 -2.496 1.00 1.05 C ATOM 971 CG GLN B 29 14.488 8.142 -1.946 1.00 1.34 C ATOM 972 CD GLN B 29 15.909 7.612 -1.965 1.00 1.63 C ATOM 973 OE1 GLN B 29 16.427 7.229 -3.015 1.00 2.33 O ATOM 974 NE2 GLN B 29 16.546 7.587 -0.801 1.00 1.99 N ATOM 0 H GLN B 29 12.189 9.681 -1.370 1.00 0.80 H new ATOM 0 HA GLN B 29 14.731 10.441 -0.578 1.00 0.92 H new ATOM 0 HB2 GLN B 29 13.606 9.582 -3.260 1.00 1.05 H new ATOM 0 HB3 GLN B 29 15.321 9.816 -2.987 1.00 1.05 H new ATOM 0 HG2 GLN B 29 14.112 8.126 -0.923 1.00 1.34 H new ATOM 0 HG3 GLN B 29 13.850 7.480 -2.531 1.00 1.34 H new ATOM 0 HE21 GLN B 29 16.078 7.914 0.044 1.00 1.99 H new ATOM 0 HE22 GLN B 29 17.504 7.240 -0.751 1.00 1.99 H new ATOM 983 N GLN B 30 13.245 12.605 -2.510 1.00 0.93 N ATOM 984 CA GLN B 30 13.320 13.949 -3.063 1.00 1.05 C ATOM 985 C GLN B 30 13.357 14.985 -1.945 1.00 1.03 C ATOM 986 O GLN B 30 13.967 16.046 -2.089 1.00 1.16 O ATOM 987 CB GLN B 30 12.127 14.214 -3.983 1.00 1.14 C ATOM 988 CG GLN B 30 12.243 15.508 -4.773 1.00 1.56 C ATOM 989 CD GLN B 30 11.256 15.581 -5.921 1.00 1.85 C ATOM 990 OE1 GLN B 30 9.971 15.650 -5.592 1.00 2.32 O flip ATOM 991 NE2 GLN B 30 11.643 15.575 -7.089 1.00 2.39 N flip ATOM 0 H GLN B 30 12.320 12.179 -2.563 1.00 0.93 H new ATOM 0 HA GLN B 30 14.238 14.030 -3.645 1.00 1.05 H new ATOM 0 HB2 GLN B 30 12.023 13.381 -4.679 1.00 1.14 H new ATOM 0 HB3 GLN B 30 11.217 14.244 -3.384 1.00 1.14 H new ATOM 0 HG2 GLN B 30 12.080 16.353 -4.104 1.00 1.56 H new ATOM 0 HG3 GLN B 30 13.256 15.601 -5.164 1.00 1.56 H new ATOM 0 HE21 GLN B 30 12.640 15.521 -7.296 1.00 2.39 H new ATOM 0 HE22 GLN B 30 10.966 15.624 -7.851 1.00 2.39 H new ATOM 1000 N HIS B 31 12.707 14.671 -0.823 1.00 0.92 N ATOM 1001 CA HIS B 31 12.680 15.583 0.318 1.00 1.01 C ATOM 1002 C HIS B 31 12.855 14.821 1.633 1.00 1.11 C ATOM 1003 O HIS B 31 11.980 14.845 2.499 1.00 1.33 O ATOM 1004 CB HIS B 31 11.376 16.386 0.340 1.00 1.26 C ATOM 1005 CG HIS B 31 10.162 15.565 0.643 1.00 1.85 C ATOM 1006 ND1 HIS B 31 9.720 14.553 -0.176 1.00 1.98 N ATOM 1007 CD2 HIS B 31 9.291 15.614 1.680 1.00 2.73 C ATOM 1008 CE1 HIS B 31 8.631 14.017 0.341 1.00 2.71 C ATOM 1009 NE2 HIS B 31 8.351 14.639 1.469 1.00 3.18 N ATOM 0 H HIS B 31 12.197 13.799 -0.682 1.00 0.92 H new ATOM 0 HA HIS B 31 13.514 16.277 0.210 1.00 1.01 H new ATOM 0 HB2 HIS B 31 11.461 17.178 1.084 1.00 1.26 H new ATOM 0 HB3 HIS B 31 11.243 16.870 -0.627 1.00 1.26 H new ATOM 0 HD1 HIS B 31 10.164 14.262 -1.047 1.00 1.98 H new ATOM 0 HD2 HIS B 31 9.330 16.295 2.517 1.00 2.73 H new ATOM 0 HE1 HIS B 31 8.064 13.204 -0.088 1.00 2.71 H new ATOM 1018 N PRO B 32 13.997 14.132 1.801 1.00 1.38 N ATOM 1019 CA PRO B 32 14.285 13.363 3.014 1.00 1.79 C ATOM 1020 C PRO B 32 14.686 14.254 4.184 1.00 1.86 C ATOM 1021 O PRO B 32 14.430 13.927 5.343 1.00 2.31 O ATOM 1022 CB PRO B 32 15.454 12.476 2.592 1.00 2.24 C ATOM 1023 CG PRO B 32 16.159 13.261 1.540 1.00 2.17 C ATOM 1024 CD PRO B 32 15.097 14.050 0.820 1.00 1.64 C ATOM 0 HA PRO B 32 13.414 12.810 3.367 1.00 1.79 H new ATOM 0 HB2 PRO B 32 16.112 12.260 3.434 1.00 2.24 H new ATOM 0 HB3 PRO B 32 15.106 11.518 2.206 1.00 2.24 H new ATOM 0 HG2 PRO B 32 16.903 13.923 1.982 1.00 2.17 H new ATOM 0 HG3 PRO B 32 16.688 12.602 0.852 1.00 2.17 H new ATOM 0 HD2 PRO B 32 15.456 15.040 0.537 1.00 1.64 H new ATOM 0 HD3 PRO B 32 14.780 13.552 -0.096 1.00 1.64 H new ATOM 1032 N ARG B 33 15.318 15.380 3.872 1.00 2.06 N ATOM 1033 CA ARG B 33 15.757 16.321 4.897 1.00 2.26 C ATOM 1034 C ARG B 33 14.932 17.602 4.848 1.00 3.01 C ATOM 1035 O ARG B 33 15.014 18.395 5.810 1.00 3.62 O ATOM 1036 CB ARG B 33 17.240 16.649 4.716 1.00 2.19 C ATOM 1037 CG ARG B 33 18.106 15.427 4.453 1.00 2.87 C ATOM 1038 CD ARG B 33 18.679 15.441 3.044 1.00 3.48 C ATOM 1039 NE ARG B 33 19.329 14.177 2.705 1.00 4.18 N ATOM 1040 CZ ARG B 33 20.551 13.840 3.109 1.00 4.96 C ATOM 1041 NH1 ARG B 33 21.261 14.669 3.865 1.00 5.21 N ATOM 1042 NH2 ARG B 33 21.067 12.671 2.755 1.00 5.81 N ATOM 0 H ARG B 33 15.538 15.664 2.917 1.00 2.06 H new ATOM 0 HA ARG B 33 15.611 15.853 5.871 1.00 2.26 H new ATOM 0 HB2 ARG B 33 17.350 17.348 3.887 1.00 2.19 H new ATOM 0 HB3 ARG B 33 17.603 17.156 5.610 1.00 2.19 H new ATOM 0 HG2 ARG B 33 18.920 15.394 5.177 1.00 2.87 H new ATOM 0 HG3 ARG B 33 17.514 14.523 4.597 1.00 2.87 H new ATOM 0 HD2 ARG B 33 17.880 15.641 2.330 1.00 3.48 H new ATOM 0 HD3 ARG B 33 19.399 16.255 2.953 1.00 3.48 H new ATOM 0 HE ARG B 33 18.816 13.514 2.124 1.00 4.18 H new ATOM 0 HH11 ARG B 33 20.870 15.570 4.139 1.00 5.21 H new ATOM 0 HH12 ARG B 33 22.197 14.405 4.171 1.00 5.21 H new ATOM 0 HH21 ARG B 33 20.527 12.030 2.173 1.00 5.81 H new ATOM 0 HH22 ARG B 33 22.004 12.412 3.065 1.00 5.81 H new TER 1056 ARG B 33