USER MOD reduce.3.24.130724 H: found=0, std=0, add=470, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 470 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 MET CE :methyl -175:sc= -12.9! (180deg=-13.2!) USER MOD Single : A 1 MET N :NH3+ 143:sc= -2.35 (180deg=-4.98!) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 138:sc= -0.0358 (180deg=-0.6) USER MOD Single : A 12 LYS NZ :NH3+ 143:sc= -0.137 (180deg=-1.23) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= -0.775 X(o=-0.78,f=-1.2) USER MOD Single : A 25 TYR OH : rot 54:sc= -1.08! USER MOD Single : A 27 ASN : amide:sc= -1.8! C(o=-1.8!,f=-2.9!) USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=-0.052) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -0.397 K(o=-0.4,f=-1.8!) USER MOD Single : A 40 THR OG1 : rot 121:sc= -2.25! USER MOD Single : A 43 ASN : amide:sc= -0.754 K(o=-0.75,f=-3.5!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= -0.111 K(o=-0.11,f=-2.9!) USER MOD Single : A 51 LYS NZ :NH3+ -174:sc= -0.0581 (180deg=-0.0652) USER MOD Single : A 52 GLN : amide:sc= 0.582 K(o=0.58,f=-0.81) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= 0.612 K(o=0.61,f=-0.3) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -9.348 7.780 -3.312 1.00 0.00 N ATOM 2 CA MET A 1 -8.196 7.205 -2.565 1.00 0.00 C ATOM 3 C MET A 1 -7.329 6.358 -3.501 1.00 0.00 C ATOM 4 O MET A 1 -7.526 5.165 -3.624 1.00 0.00 O ATOM 5 CB MET A 1 -8.816 6.323 -1.473 1.00 0.00 C ATOM 6 CG MET A 1 -7.808 6.166 -0.339 1.00 0.00 C ATOM 7 SD MET A 1 -8.658 6.281 1.252 1.00 0.00 S ATOM 8 CE MET A 1 -7.381 5.461 2.236 1.00 0.00 C ATOM 0 H1 MET A 1 -10.189 7.788 -2.700 1.00 0.00 H new ATOM 0 H2 MET A 1 -9.122 8.752 -3.603 1.00 0.00 H new ATOM 0 H3 MET A 1 -9.539 7.201 -4.155 1.00 0.00 H new ATOM 0 HA MET A 1 -7.556 7.981 -2.145 1.00 0.00 H new ATOM 0 HB2 MET A 1 -9.736 6.774 -1.101 1.00 0.00 H new ATOM 0 HB3 MET A 1 -9.081 5.347 -1.881 1.00 0.00 H new ATOM 0 HG2 MET A 1 -7.300 5.205 -0.422 1.00 0.00 H new ATOM 0 HG3 MET A 1 -7.043 6.939 -0.410 1.00 0.00 H new ATOM 0 HE1 MET A 1 -7.734 5.338 3.260 1.00 0.00 H new ATOM 0 HE2 MET A 1 -7.163 4.483 1.807 1.00 0.00 H new ATOM 0 HE3 MET A 1 -6.475 6.068 2.235 1.00 0.00 H new ATOM 20 N LYS A 2 -6.360 6.949 -4.157 1.00 0.00 N ATOM 21 CA LYS A 2 -5.499 6.136 -5.061 1.00 0.00 C ATOM 22 C LYS A 2 -5.021 4.916 -4.279 1.00 0.00 C ATOM 23 O LYS A 2 -5.017 4.943 -3.067 1.00 0.00 O ATOM 24 CB LYS A 2 -4.330 7.035 -5.449 1.00 0.00 C ATOM 25 CG LYS A 2 -4.716 7.874 -6.667 1.00 0.00 C ATOM 26 CD LYS A 2 -3.577 8.834 -7.005 1.00 0.00 C ATOM 27 CE LYS A 2 -2.699 8.215 -8.095 1.00 0.00 C ATOM 28 NZ LYS A 2 -1.358 8.839 -7.909 1.00 0.00 N ATOM 0 H LYS A 2 -6.133 7.942 -4.106 1.00 0.00 H new ATOM 0 HA LYS A 2 -6.018 5.789 -5.955 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -4.065 7.685 -4.615 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -3.451 6.431 -5.674 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -4.924 7.225 -7.518 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -5.629 8.433 -6.462 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -3.979 9.788 -7.345 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -2.982 9.038 -6.115 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -2.648 7.131 -7.993 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -3.097 8.423 -9.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -0.699 8.464 -8.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -1.437 9.870 -8.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -1.001 8.618 -6.957 1.00 0.00 H new ATOM 42 N VAL A 3 -4.697 3.817 -4.919 1.00 0.00 N ATOM 43 CA VAL A 3 -4.339 2.633 -4.120 1.00 0.00 C ATOM 44 C VAL A 3 -3.125 1.843 -4.623 1.00 0.00 C ATOM 45 O VAL A 3 -3.016 1.485 -5.778 1.00 0.00 O ATOM 46 CB VAL A 3 -5.617 1.841 -4.259 1.00 0.00 C ATOM 47 CG1 VAL A 3 -5.371 0.361 -4.043 1.00 0.00 C ATOM 48 CG2 VAL A 3 -6.589 2.382 -3.240 1.00 0.00 C ATOM 0 H VAL A 3 -4.669 3.702 -5.932 1.00 0.00 H new ATOM 0 HA VAL A 3 -4.025 2.881 -3.106 1.00 0.00 H new ATOM 0 HB VAL A 3 -6.020 1.944 -5.266 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -6.309 -0.183 -4.149 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -4.656 -0.001 -4.782 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -4.970 0.201 -3.042 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -7.529 1.835 -3.308 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -6.171 2.264 -2.240 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -6.770 3.439 -3.435 1.00 0.00 H new ATOM 58 N ILE A 4 -2.249 1.518 -3.702 1.00 0.00 N ATOM 59 CA ILE A 4 -1.062 0.703 -3.997 1.00 0.00 C ATOM 60 C ILE A 4 -1.390 -0.748 -3.599 1.00 0.00 C ATOM 61 O ILE A 4 -1.186 -1.152 -2.471 1.00 0.00 O ATOM 62 CB ILE A 4 0.023 1.283 -3.064 1.00 0.00 C ATOM 63 CG1 ILE A 4 0.881 2.323 -3.813 1.00 0.00 C ATOM 64 CG2 ILE A 4 0.892 0.157 -2.503 1.00 0.00 C ATOM 65 CD1 ILE A 4 2.273 1.756 -4.161 1.00 0.00 C ATOM 0 H ILE A 4 -2.325 1.803 -2.726 1.00 0.00 H new ATOM 0 HA ILE A 4 -0.750 0.715 -5.041 1.00 0.00 H new ATOM 0 HB ILE A 4 -0.464 1.788 -2.230 1.00 0.00 H new ATOM 0 HG12 ILE A 4 0.371 2.628 -4.727 1.00 0.00 H new ATOM 0 HG13 ILE A 4 0.993 3.216 -3.198 1.00 0.00 H new ATOM 0 HG21 ILE A 4 1.654 0.578 -1.847 1.00 0.00 H new ATOM 0 HG22 ILE A 4 0.269 -0.536 -1.938 1.00 0.00 H new ATOM 0 HG23 ILE A 4 1.374 -0.374 -3.324 1.00 0.00 H new ATOM 0 HD11 ILE A 4 2.853 2.513 -4.688 1.00 0.00 H new ATOM 0 HD12 ILE A 4 2.791 1.475 -3.244 1.00 0.00 H new ATOM 0 HD13 ILE A 4 2.160 0.878 -4.797 1.00 0.00 H new ATOM 77 N PHE A 5 -1.888 -1.550 -4.485 1.00 0.00 N ATOM 78 CA PHE A 5 -2.168 -2.954 -4.064 1.00 0.00 C ATOM 79 C PHE A 5 -0.833 -3.646 -3.862 1.00 0.00 C ATOM 80 O PHE A 5 -0.044 -3.691 -4.765 1.00 0.00 O ATOM 81 CB PHE A 5 -2.863 -3.646 -5.218 1.00 0.00 C ATOM 82 CG PHE A 5 -4.365 -3.480 -5.165 1.00 0.00 C ATOM 83 CD1 PHE A 5 -4.974 -2.335 -5.696 1.00 0.00 C ATOM 84 CD2 PHE A 5 -5.155 -4.509 -4.635 1.00 0.00 C ATOM 85 CE1 PHE A 5 -6.369 -2.222 -5.689 1.00 0.00 C ATOM 86 CE2 PHE A 5 -6.544 -4.399 -4.643 1.00 0.00 C ATOM 87 CZ PHE A 5 -7.150 -3.256 -5.169 1.00 0.00 C ATOM 0 H PHE A 5 -2.110 -1.314 -5.452 1.00 0.00 H new ATOM 0 HA PHE A 5 -2.773 -2.982 -3.158 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -2.488 -3.244 -6.159 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -2.616 -4.708 -5.204 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -4.369 -1.542 -6.109 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -4.686 -5.389 -4.220 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -6.841 -1.335 -6.086 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -7.152 -5.197 -4.243 1.00 0.00 H new ATOM 0 HZ PHE A 5 -8.227 -3.172 -5.174 1.00 0.00 H new ATOM 97 N LEU A 6 -0.566 -4.201 -2.725 1.00 0.00 N ATOM 98 CA LEU A 6 0.740 -4.886 -2.558 1.00 0.00 C ATOM 99 C LEU A 6 0.663 -6.236 -3.250 1.00 0.00 C ATOM 100 O LEU A 6 1.646 -6.758 -3.734 1.00 0.00 O ATOM 101 CB LEU A 6 0.924 -5.085 -1.055 1.00 0.00 C ATOM 102 CG LEU A 6 0.627 -3.804 -0.258 1.00 0.00 C ATOM 103 CD1 LEU A 6 0.877 -2.523 -1.070 1.00 0.00 C ATOM 104 CD2 LEU A 6 -0.815 -3.823 0.244 1.00 0.00 C ATOM 0 H LEU A 6 -1.182 -4.213 -1.912 1.00 0.00 H new ATOM 0 HA LEU A 6 1.567 -4.317 -2.983 1.00 0.00 H new ATOM 0 HB2 LEU A 6 0.266 -5.884 -0.713 1.00 0.00 H new ATOM 0 HB3 LEU A 6 1.946 -5.406 -0.855 1.00 0.00 H new ATOM 0 HG LEU A 6 1.318 -3.790 0.585 1.00 0.00 H new ATOM 0 HD11 LEU A 6 0.650 -1.652 -0.455 1.00 0.00 H new ATOM 0 HD12 LEU A 6 1.921 -2.486 -1.380 1.00 0.00 H new ATOM 0 HD13 LEU A 6 0.237 -2.521 -1.952 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -1.016 -2.912 0.807 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -1.495 -3.882 -0.606 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -0.964 -4.689 0.889 1.00 0.00 H new ATOM 116 N LYS A 7 -0.515 -6.786 -3.324 1.00 0.00 N ATOM 117 CA LYS A 7 -0.689 -8.094 -4.004 1.00 0.00 C ATOM 118 C LYS A 7 -1.596 -7.917 -5.213 1.00 0.00 C ATOM 119 O LYS A 7 -1.943 -6.814 -5.589 1.00 0.00 O ATOM 120 CB LYS A 7 -1.363 -9.006 -2.978 1.00 0.00 C ATOM 121 CG LYS A 7 -0.301 -9.743 -2.167 1.00 0.00 C ATOM 122 CD LYS A 7 -0.901 -10.183 -0.827 1.00 0.00 C ATOM 123 CE LYS A 7 0.079 -11.110 -0.103 1.00 0.00 C ATOM 124 NZ LYS A 7 -0.692 -11.655 1.050 1.00 0.00 N ATOM 0 H LYS A 7 -1.369 -6.382 -2.940 1.00 0.00 H new ATOM 0 HA LYS A 7 0.259 -8.507 -4.349 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -1.997 -8.417 -2.315 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -2.010 -9.723 -3.484 1.00 0.00 H new ATOM 0 HG2 LYS A 7 0.058 -10.611 -2.720 1.00 0.00 H new ATOM 0 HG3 LYS A 7 0.559 -9.095 -1.998 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -1.115 -9.311 -0.210 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -1.848 -10.697 -0.993 1.00 0.00 H new ATOM 0 HE2 LYS A 7 0.426 -11.908 -0.759 1.00 0.00 H new ATOM 0 HE3 LYS A 7 0.962 -10.567 0.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -0.088 -12.301 1.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -1.004 -10.873 1.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -1.523 -12.172 0.699 1.00 0.00 H new ATOM 138 N ASP A 8 -2.002 -8.993 -5.812 1.00 0.00 N ATOM 139 CA ASP A 8 -2.907 -8.882 -6.983 1.00 0.00 C ATOM 140 C ASP A 8 -4.314 -9.334 -6.573 1.00 0.00 C ATOM 141 O ASP A 8 -4.475 -10.099 -5.642 1.00 0.00 O ATOM 142 CB ASP A 8 -2.323 -9.822 -8.040 1.00 0.00 C ATOM 143 CG ASP A 8 -2.596 -11.272 -7.641 1.00 0.00 C ATOM 144 OD1 ASP A 8 -3.756 -11.646 -7.603 1.00 0.00 O ATOM 145 OD2 ASP A 8 -1.641 -11.982 -7.375 1.00 0.00 O ATOM 0 H ASP A 8 -1.748 -9.944 -5.544 1.00 0.00 H new ATOM 0 HA ASP A 8 -2.984 -7.863 -7.362 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -2.767 -9.612 -9.013 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -1.250 -9.656 -8.136 1.00 0.00 H new ATOM 150 N VAL A 9 -5.334 -8.875 -7.245 1.00 0.00 N ATOM 151 CA VAL A 9 -6.715 -9.300 -6.861 1.00 0.00 C ATOM 152 C VAL A 9 -7.265 -10.280 -7.901 1.00 0.00 C ATOM 153 O VAL A 9 -6.520 -10.914 -8.621 1.00 0.00 O ATOM 154 CB VAL A 9 -7.559 -8.019 -6.830 1.00 0.00 C ATOM 155 CG1 VAL A 9 -8.729 -8.209 -5.862 1.00 0.00 C ATOM 156 CG2 VAL A 9 -6.708 -6.840 -6.357 1.00 0.00 C ATOM 0 H VAL A 9 -5.276 -8.232 -8.034 1.00 0.00 H new ATOM 0 HA VAL A 9 -6.730 -9.805 -5.895 1.00 0.00 H new ATOM 0 HB VAL A 9 -7.932 -7.814 -7.834 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -9.332 -7.301 -5.837 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -9.345 -9.044 -6.195 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -8.345 -8.417 -4.863 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -7.317 -5.936 -6.339 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -6.330 -7.043 -5.355 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -5.870 -6.699 -7.040 1.00 0.00 H new ATOM 166 N LYS A 10 -8.562 -10.410 -7.986 1.00 0.00 N ATOM 167 CA LYS A 10 -9.150 -11.348 -8.983 1.00 0.00 C ATOM 168 C LYS A 10 -8.766 -10.909 -10.398 1.00 0.00 C ATOM 169 O LYS A 10 -9.559 -10.340 -11.120 1.00 0.00 O ATOM 170 CB LYS A 10 -10.661 -11.245 -8.776 1.00 0.00 C ATOM 171 CG LYS A 10 -11.333 -12.526 -9.274 1.00 0.00 C ATOM 172 CD LYS A 10 -12.373 -12.173 -10.337 1.00 0.00 C ATOM 173 CE LYS A 10 -13.687 -12.891 -10.022 1.00 0.00 C ATOM 174 NZ LYS A 10 -14.205 -12.222 -8.797 1.00 0.00 N ATOM 0 H LYS A 10 -9.237 -9.908 -7.409 1.00 0.00 H new ATOM 0 HA LYS A 10 -8.794 -12.371 -8.858 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -10.884 -11.091 -7.720 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -11.054 -10.383 -9.314 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -10.587 -13.203 -9.690 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -11.808 -13.047 -8.443 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -12.532 -11.095 -10.362 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -12.014 -12.465 -11.324 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -14.393 -12.804 -10.848 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -13.525 -13.955 -9.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -15.231 -12.076 -8.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -14.013 -12.819 -7.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -13.734 -11.303 -8.678 1.00 0.00 H new ATOM 188 N GLY A 11 -7.548 -11.165 -10.792 1.00 0.00 N ATOM 189 CA GLY A 11 -7.101 -10.759 -12.154 1.00 0.00 C ATOM 190 C GLY A 11 -7.382 -9.270 -12.363 1.00 0.00 C ATOM 191 O GLY A 11 -7.812 -8.854 -13.420 1.00 0.00 O ATOM 0 H GLY A 11 -6.842 -11.639 -10.228 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -6.036 -10.959 -12.273 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -7.622 -11.347 -12.909 1.00 0.00 H new ATOM 195 N LYS A 12 -7.139 -8.464 -11.366 1.00 0.00 N ATOM 196 CA LYS A 12 -7.390 -7.001 -11.515 1.00 0.00 C ATOM 197 C LYS A 12 -6.179 -6.205 -11.027 1.00 0.00 C ATOM 198 O LYS A 12 -5.333 -5.809 -11.803 1.00 0.00 O ATOM 199 CB LYS A 12 -8.610 -6.712 -10.641 1.00 0.00 C ATOM 200 CG LYS A 12 -9.815 -6.415 -11.536 1.00 0.00 C ATOM 201 CD LYS A 12 -10.968 -5.888 -10.683 1.00 0.00 C ATOM 202 CE LYS A 12 -11.451 -4.553 -11.255 1.00 0.00 C ATOM 203 NZ LYS A 12 -11.844 -4.858 -12.660 1.00 0.00 N ATOM 0 H LYS A 12 -6.779 -8.753 -10.457 1.00 0.00 H new ATOM 0 HA LYS A 12 -7.560 -6.717 -12.554 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -8.822 -7.567 -9.998 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -8.410 -5.863 -9.987 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -9.545 -5.681 -12.295 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -10.122 -7.319 -12.062 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -11.786 -6.609 -10.671 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -10.642 -5.758 -9.651 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -12.293 -4.161 -10.685 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -10.664 -3.800 -11.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -12.685 -4.301 -12.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -11.061 -4.614 -13.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -12.060 -5.871 -12.748 1.00 0.00 H new ATOM 217 N GLY A 13 -6.086 -5.966 -9.748 1.00 0.00 N ATOM 218 CA GLY A 13 -4.924 -5.196 -9.225 1.00 0.00 C ATOM 219 C GLY A 13 -3.670 -6.068 -9.302 1.00 0.00 C ATOM 220 O GLY A 13 -3.746 -7.276 -9.409 1.00 0.00 O ATOM 0 H GLY A 13 -6.761 -6.269 -9.046 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -4.784 -4.285 -9.806 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -5.108 -4.892 -8.195 1.00 0.00 H new ATOM 224 N LYS A 14 -2.520 -5.464 -9.248 1.00 0.00 N ATOM 225 CA LYS A 14 -1.261 -6.251 -9.319 1.00 0.00 C ATOM 226 C LYS A 14 -0.324 -5.831 -8.187 1.00 0.00 C ATOM 227 O LYS A 14 -0.595 -4.903 -7.450 1.00 0.00 O ATOM 228 CB LYS A 14 -0.650 -5.912 -10.681 1.00 0.00 C ATOM 229 CG LYS A 14 -1.693 -6.142 -11.779 1.00 0.00 C ATOM 230 CD LYS A 14 -1.009 -6.705 -13.029 1.00 0.00 C ATOM 231 CE LYS A 14 -1.731 -7.981 -13.473 1.00 0.00 C ATOM 232 NZ LYS A 14 -0.667 -9.016 -13.582 1.00 0.00 N ATOM 0 H LYS A 14 -2.396 -4.456 -9.157 1.00 0.00 H new ATOM 0 HA LYS A 14 -1.434 -7.322 -9.213 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -0.316 -4.875 -10.694 1.00 0.00 H new ATOM 0 HB3 LYS A 14 0.228 -6.532 -10.862 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -2.458 -6.834 -11.428 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -2.196 -5.205 -12.018 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -1.027 -5.966 -13.830 1.00 0.00 H new ATOM 0 HD3 LYS A 14 0.038 -6.921 -12.818 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -2.492 -8.274 -12.750 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -2.237 -7.835 -14.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -1.089 -9.918 -13.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 0.040 -8.714 -14.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -0.207 -9.140 -12.657 1.00 0.00 H new ATOM 246 N LYS A 15 0.770 -6.517 -8.038 1.00 0.00 N ATOM 247 CA LYS A 15 1.726 -6.179 -6.948 1.00 0.00 C ATOM 248 C LYS A 15 1.917 -4.658 -6.832 1.00 0.00 C ATOM 249 O LYS A 15 1.950 -3.957 -7.823 1.00 0.00 O ATOM 250 CB LYS A 15 3.034 -6.852 -7.362 1.00 0.00 C ATOM 251 CG LYS A 15 3.626 -6.115 -8.566 1.00 0.00 C ATOM 252 CD LYS A 15 2.766 -6.378 -9.807 1.00 0.00 C ATOM 253 CE LYS A 15 3.595 -6.105 -11.067 1.00 0.00 C ATOM 254 NZ LYS A 15 2.736 -5.239 -11.920 1.00 0.00 N ATOM 0 H LYS A 15 1.047 -7.303 -8.627 1.00 0.00 H new ATOM 0 HA LYS A 15 1.371 -6.517 -5.974 1.00 0.00 H new ATOM 0 HB2 LYS A 15 3.740 -6.841 -6.532 1.00 0.00 H new ATOM 0 HB3 LYS A 15 2.854 -7.897 -7.614 1.00 0.00 H new ATOM 0 HG2 LYS A 15 3.671 -5.045 -8.363 1.00 0.00 H new ATOM 0 HG3 LYS A 15 4.648 -6.449 -8.743 1.00 0.00 H new ATOM 0 HD2 LYS A 15 2.413 -7.409 -9.807 1.00 0.00 H new ATOM 0 HD3 LYS A 15 1.883 -5.739 -9.793 1.00 0.00 H new ATOM 0 HE2 LYS A 15 4.533 -5.608 -10.821 1.00 0.00 H new ATOM 0 HE3 LYS A 15 3.850 -7.033 -11.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 3.239 -5.011 -12.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 1.853 -5.740 -12.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 2.515 -4.360 -11.410 1.00 0.00 H new ATOM 268 N GLY A 16 2.030 -4.163 -5.617 1.00 0.00 N ATOM 269 CA GLY A 16 2.205 -2.683 -5.362 1.00 0.00 C ATOM 270 C GLY A 16 1.707 -1.839 -6.542 1.00 0.00 C ATOM 271 O GLY A 16 2.362 -0.900 -6.952 1.00 0.00 O ATOM 0 H GLY A 16 2.008 -4.732 -4.771 1.00 0.00 H new ATOM 0 HA2 GLY A 16 1.661 -2.403 -4.460 1.00 0.00 H new ATOM 0 HA3 GLY A 16 3.258 -2.468 -5.180 1.00 0.00 H new ATOM 275 N GLU A 17 0.554 -2.138 -7.086 1.00 0.00 N ATOM 276 CA GLU A 17 0.047 -1.309 -8.221 1.00 0.00 C ATOM 277 C GLU A 17 -0.588 -0.036 -7.660 1.00 0.00 C ATOM 278 O GLU A 17 -1.438 -0.091 -6.795 1.00 0.00 O ATOM 279 CB GLU A 17 -0.984 -2.184 -8.966 1.00 0.00 C ATOM 280 CG GLU A 17 -2.427 -1.790 -8.596 1.00 0.00 C ATOM 281 CD GLU A 17 -3.409 -2.425 -9.582 1.00 0.00 C ATOM 282 OE1 GLU A 17 -2.953 -3.074 -10.509 1.00 0.00 O ATOM 283 OE2 GLU A 17 -4.602 -2.251 -9.392 1.00 0.00 O ATOM 0 H GLU A 17 -0.050 -2.908 -6.799 1.00 0.00 H new ATOM 0 HA GLU A 17 0.838 -1.002 -8.906 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -0.841 -2.081 -10.042 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -0.818 -3.233 -8.722 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -2.654 -2.118 -7.581 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -2.533 -0.705 -8.612 1.00 0.00 H new ATOM 290 N ILE A 18 -0.188 1.104 -8.137 1.00 0.00 N ATOM 291 CA ILE A 18 -0.780 2.367 -7.611 1.00 0.00 C ATOM 292 C ILE A 18 -1.729 2.995 -8.624 1.00 0.00 C ATOM 293 O ILE A 18 -1.354 3.360 -9.721 1.00 0.00 O ATOM 294 CB ILE A 18 0.384 3.324 -7.412 1.00 0.00 C ATOM 295 CG1 ILE A 18 1.531 2.632 -6.694 1.00 0.00 C ATOM 296 CG2 ILE A 18 -0.088 4.525 -6.595 1.00 0.00 C ATOM 297 CD1 ILE A 18 2.712 2.478 -7.652 1.00 0.00 C ATOM 0 H ILE A 18 0.518 1.220 -8.864 1.00 0.00 H new ATOM 0 HA ILE A 18 -1.337 2.166 -6.696 1.00 0.00 H new ATOM 0 HB ILE A 18 0.740 3.656 -8.387 1.00 0.00 H new ATOM 0 HG12 ILE A 18 1.830 3.212 -5.821 1.00 0.00 H new ATOM 0 HG13 ILE A 18 1.212 1.654 -6.333 1.00 0.00 H new ATOM 0 HG21 ILE A 18 0.743 5.215 -6.449 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -0.893 5.033 -7.127 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -0.452 4.185 -5.625 1.00 0.00 H new ATOM 0 HD11 ILE A 18 3.535 1.982 -7.138 1.00 0.00 H new ATOM 0 HD12 ILE A 18 2.408 1.880 -8.511 1.00 0.00 H new ATOM 0 HD13 ILE A 18 3.036 3.462 -7.991 1.00 0.00 H new ATOM 309 N LYS A 19 -2.936 3.157 -8.225 1.00 0.00 N ATOM 310 CA LYS A 19 -3.957 3.804 -9.078 1.00 0.00 C ATOM 311 C LYS A 19 -5.064 4.223 -8.130 1.00 0.00 C ATOM 312 O LYS A 19 -4.803 4.844 -7.131 1.00 0.00 O ATOM 313 CB LYS A 19 -4.423 2.728 -10.060 1.00 0.00 C ATOM 314 CG LYS A 19 -5.179 3.390 -11.215 1.00 0.00 C ATOM 315 CD LYS A 19 -4.848 2.674 -12.527 1.00 0.00 C ATOM 316 CE LYS A 19 -5.196 3.587 -13.706 1.00 0.00 C ATOM 317 NZ LYS A 19 -4.738 2.851 -14.917 1.00 0.00 N ATOM 0 H LYS A 19 -3.278 2.860 -7.311 1.00 0.00 H new ATOM 0 HA LYS A 19 -3.611 4.672 -9.640 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -3.566 2.172 -10.442 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -5.068 2.011 -9.552 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -6.252 3.351 -11.029 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -4.906 4.443 -11.285 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -3.790 2.413 -12.555 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -5.408 1.742 -12.597 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -6.267 3.786 -13.747 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -4.696 4.551 -13.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -4.944 3.416 -15.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -3.714 2.682 -14.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -5.236 1.940 -14.979 1.00 0.00 H new ATOM 331 N ASN A 20 -6.267 3.825 -8.384 1.00 0.00 N ATOM 332 CA ASN A 20 -7.364 4.114 -7.432 1.00 0.00 C ATOM 333 C ASN A 20 -8.410 3.044 -7.577 1.00 0.00 C ATOM 334 O ASN A 20 -8.998 2.852 -8.624 1.00 0.00 O ATOM 335 CB ASN A 20 -7.943 5.492 -7.753 1.00 0.00 C ATOM 336 CG ASN A 20 -8.647 5.445 -9.108 1.00 0.00 C ATOM 337 OD1 ASN A 20 -9.843 5.242 -9.178 1.00 0.00 O ATOM 338 ND2 ASN A 20 -7.951 5.625 -10.196 1.00 0.00 N ATOM 0 H ASN A 20 -6.543 3.306 -9.218 1.00 0.00 H new ATOM 0 HA ASN A 20 -7.002 4.120 -6.404 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -8.646 5.793 -6.976 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -7.148 6.238 -7.770 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -8.411 5.595 -11.106 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -6.947 5.795 -10.137 1.00 0.00 H new ATOM 345 N VAL A 21 -8.667 2.376 -6.520 1.00 0.00 N ATOM 346 CA VAL A 21 -9.700 1.341 -6.543 1.00 0.00 C ATOM 347 C VAL A 21 -10.968 2.094 -6.231 1.00 0.00 C ATOM 348 O VAL A 21 -11.097 3.249 -6.587 1.00 0.00 O ATOM 349 CB VAL A 21 -9.284 0.423 -5.391 1.00 0.00 C ATOM 350 CG1 VAL A 21 -9.677 1.032 -4.047 1.00 0.00 C ATOM 351 CG2 VAL A 21 -9.907 -0.947 -5.542 1.00 0.00 C ATOM 0 H VAL A 21 -8.199 2.503 -5.623 1.00 0.00 H new ATOM 0 HA VAL A 21 -9.829 0.769 -7.462 1.00 0.00 H new ATOM 0 HB VAL A 21 -8.200 0.316 -5.423 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -9.372 0.364 -3.242 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -9.182 1.996 -3.926 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -10.757 1.172 -4.013 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -9.597 -1.581 -4.712 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -10.993 -0.855 -5.542 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -9.581 -1.394 -6.481 1.00 0.00 H new ATOM 361 N ALA A 22 -11.853 1.543 -5.497 1.00 0.00 N ATOM 362 CA ALA A 22 -13.004 2.387 -5.124 1.00 0.00 C ATOM 363 C ALA A 22 -12.436 3.302 -4.056 1.00 0.00 C ATOM 364 O ALA A 22 -12.048 2.840 -3.003 1.00 0.00 O ATOM 365 CB ALA A 22 -14.077 1.469 -4.570 1.00 0.00 C ATOM 0 H ALA A 22 -11.846 0.586 -5.145 1.00 0.00 H new ATOM 0 HA ALA A 22 -13.450 2.959 -5.938 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -14.947 2.059 -4.282 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -14.365 0.745 -5.332 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -13.690 0.943 -3.697 1.00 0.00 H new ATOM 371 N ASP A 23 -12.303 4.569 -4.343 1.00 0.00 N ATOM 372 CA ASP A 23 -11.685 5.503 -3.378 1.00 0.00 C ATOM 373 C ASP A 23 -11.967 5.078 -1.928 1.00 0.00 C ATOM 374 O ASP A 23 -11.156 5.284 -1.049 1.00 0.00 O ATOM 375 CB ASP A 23 -12.346 6.834 -3.696 1.00 0.00 C ATOM 376 CG ASP A 23 -11.735 7.427 -4.966 1.00 0.00 C ATOM 377 OD1 ASP A 23 -11.274 6.658 -5.793 1.00 0.00 O ATOM 378 OD2 ASP A 23 -11.731 8.641 -5.087 1.00 0.00 O ATOM 0 H ASP A 23 -12.603 4.996 -5.220 1.00 0.00 H new ATOM 0 HA ASP A 23 -10.599 5.537 -3.463 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -13.419 6.695 -3.829 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -12.215 7.524 -2.862 1.00 0.00 H new ATOM 383 N GLY A 24 -13.093 4.466 -1.670 1.00 0.00 N ATOM 384 CA GLY A 24 -13.379 4.020 -0.276 1.00 0.00 C ATOM 385 C GLY A 24 -12.988 2.546 -0.141 1.00 0.00 C ATOM 386 O GLY A 24 -12.429 2.128 0.853 1.00 0.00 O ATOM 0 H GLY A 24 -13.819 4.258 -2.356 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -12.819 4.626 0.437 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -14.436 4.153 -0.046 1.00 0.00 H new ATOM 390 N TYR A 25 -13.230 1.772 -1.163 1.00 0.00 N ATOM 391 CA TYR A 25 -12.825 0.331 -1.146 1.00 0.00 C ATOM 392 C TYR A 25 -11.392 0.316 -0.690 1.00 0.00 C ATOM 393 O TYR A 25 -11.033 -0.309 0.287 1.00 0.00 O ATOM 394 CB TYR A 25 -12.936 -0.051 -2.621 1.00 0.00 C ATOM 395 CG TYR A 25 -12.219 -1.333 -3.021 1.00 0.00 C ATOM 396 CD1 TYR A 25 -11.484 -2.103 -2.117 1.00 0.00 C ATOM 397 CD2 TYR A 25 -12.309 -1.748 -4.359 1.00 0.00 C ATOM 398 CE1 TYR A 25 -10.856 -3.266 -2.557 1.00 0.00 C ATOM 399 CE2 TYR A 25 -11.681 -2.920 -4.786 1.00 0.00 C ATOM 400 CZ TYR A 25 -10.956 -3.680 -3.883 1.00 0.00 C ATOM 401 OH TYR A 25 -10.335 -4.840 -4.300 1.00 0.00 O ATOM 0 H TYR A 25 -13.695 2.076 -2.018 1.00 0.00 H new ATOM 0 HA TYR A 25 -13.404 -0.336 -0.507 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -13.991 -0.151 -2.874 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -12.541 0.768 -3.221 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -11.403 -1.799 -1.084 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -12.870 -1.155 -5.066 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -10.282 -3.856 -1.858 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -11.760 -3.233 -5.817 1.00 0.00 H new ATOM 0 HH TYR A 25 -10.611 -5.584 -3.725 1.00 0.00 H new ATOM 411 N ALA A 26 -10.595 1.052 -1.394 1.00 0.00 N ATOM 412 CA ALA A 26 -9.153 1.175 -1.034 1.00 0.00 C ATOM 413 C ALA A 26 -8.967 1.058 0.488 1.00 0.00 C ATOM 414 O ALA A 26 -8.368 0.119 0.973 1.00 0.00 O ATOM 415 CB ALA A 26 -8.780 2.585 -1.507 1.00 0.00 C ATOM 0 H ALA A 26 -10.878 1.584 -2.217 1.00 0.00 H new ATOM 0 HA ALA A 26 -8.537 0.397 -1.484 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -7.730 2.777 -1.287 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -8.946 2.664 -2.581 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -9.399 3.318 -0.990 1.00 0.00 H new ATOM 421 N ASN A 27 -9.468 2.008 1.239 1.00 0.00 N ATOM 422 CA ASN A 27 -9.299 1.966 2.727 1.00 0.00 C ATOM 423 C ASN A 27 -10.381 1.114 3.425 1.00 0.00 C ATOM 424 O ASN A 27 -10.499 1.135 4.634 1.00 0.00 O ATOM 425 CB ASN A 27 -9.362 3.445 3.162 1.00 0.00 C ATOM 426 CG ASN A 27 -10.317 3.641 4.331 1.00 0.00 C ATOM 427 OD1 ASN A 27 -10.024 3.269 5.449 1.00 0.00 O ATOM 428 ND2 ASN A 27 -11.459 4.215 4.106 1.00 0.00 N ATOM 0 H ASN A 27 -9.987 2.812 0.886 1.00 0.00 H new ATOM 0 HA ASN A 27 -8.361 1.489 3.011 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -8.366 3.786 3.443 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -9.683 4.060 2.321 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -12.118 4.357 4.871 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -11.697 4.525 3.164 1.00 0.00 H new ATOM 435 N ASN A 28 -11.164 0.362 2.706 1.00 0.00 N ATOM 436 CA ASN A 28 -12.206 -0.459 3.398 1.00 0.00 C ATOM 437 C ASN A 28 -12.059 -1.939 3.045 1.00 0.00 C ATOM 438 O ASN A 28 -12.917 -2.747 3.345 1.00 0.00 O ATOM 439 CB ASN A 28 -13.540 0.092 2.900 1.00 0.00 C ATOM 440 CG ASN A 28 -14.163 0.956 3.998 1.00 0.00 C ATOM 441 OD1 ASN A 28 -14.490 0.463 5.059 1.00 0.00 O ATOM 442 ND2 ASN A 28 -14.339 2.231 3.791 1.00 0.00 N ATOM 0 H ASN A 28 -11.134 0.277 1.690 1.00 0.00 H new ATOM 0 HA ASN A 28 -12.120 -0.397 4.483 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -13.390 0.682 1.996 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -14.211 -0.726 2.638 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -14.751 2.814 4.520 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -14.065 2.646 2.900 1.00 0.00 H new ATOM 449 N PHE A 29 -10.984 -2.302 2.406 1.00 0.00 N ATOM 450 CA PHE A 29 -10.790 -3.730 2.030 1.00 0.00 C ATOM 451 C PHE A 29 -9.308 -4.002 1.723 1.00 0.00 C ATOM 452 O PHE A 29 -8.716 -4.932 2.223 1.00 0.00 O ATOM 453 CB PHE A 29 -11.664 -3.896 0.767 1.00 0.00 C ATOM 454 CG PHE A 29 -11.344 -5.174 0.005 1.00 0.00 C ATOM 455 CD1 PHE A 29 -10.497 -6.155 0.532 1.00 0.00 C ATOM 456 CD2 PHE A 29 -11.866 -5.340 -1.278 1.00 0.00 C ATOM 457 CE1 PHE A 29 -10.174 -7.283 -0.221 1.00 0.00 C ATOM 458 CE2 PHE A 29 -11.539 -6.462 -2.038 1.00 0.00 C ATOM 459 CZ PHE A 29 -10.689 -7.437 -1.512 1.00 0.00 C ATOM 0 H PHE A 29 -10.231 -1.673 2.127 1.00 0.00 H new ATOM 0 HA PHE A 29 -11.067 -4.427 2.821 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -12.716 -3.901 1.054 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -11.517 -3.038 0.111 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -10.092 -6.038 1.526 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -12.530 -4.592 -1.686 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -9.525 -8.040 0.194 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -11.943 -6.577 -3.033 1.00 0.00 H new ATOM 0 HZ PHE A 29 -10.431 -8.306 -2.099 1.00 0.00 H new ATOM 469 N LEU A 30 -8.715 -3.210 0.892 1.00 0.00 N ATOM 470 CA LEU A 30 -7.286 -3.454 0.509 1.00 0.00 C ATOM 471 C LEU A 30 -6.380 -2.948 1.586 1.00 0.00 C ATOM 472 O LEU A 30 -5.346 -3.511 1.888 1.00 0.00 O ATOM 473 CB LEU A 30 -7.071 -2.676 -0.798 1.00 0.00 C ATOM 474 CG LEU A 30 -8.265 -2.922 -1.691 1.00 0.00 C ATOM 475 CD1 LEU A 30 -8.338 -1.908 -2.831 1.00 0.00 C ATOM 476 CD2 LEU A 30 -8.210 -4.337 -2.292 1.00 0.00 C ATOM 0 H LEU A 30 -9.149 -2.398 0.453 1.00 0.00 H new ATOM 0 HA LEU A 30 -7.068 -4.514 0.378 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -6.961 -1.611 -0.594 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -6.154 -3.002 -1.289 1.00 0.00 H new ATOM 0 HG LEU A 30 -9.153 -2.816 -1.068 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -9.210 -2.119 -3.450 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -8.420 -0.902 -2.419 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -7.436 -1.978 -3.439 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -9.078 -4.495 -2.932 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -7.300 -4.447 -2.882 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -8.213 -5.074 -1.489 1.00 0.00 H new ATOM 488 N PHE A 31 -6.769 -1.884 2.155 1.00 0.00 N ATOM 489 CA PHE A 31 -5.967 -1.284 3.219 1.00 0.00 C ATOM 490 C PHE A 31 -6.301 -1.929 4.570 1.00 0.00 C ATOM 491 O PHE A 31 -5.455 -2.496 5.234 1.00 0.00 O ATOM 492 CB PHE A 31 -6.460 0.130 3.193 1.00 0.00 C ATOM 493 CG PHE A 31 -6.146 0.793 1.857 1.00 0.00 C ATOM 494 CD1 PHE A 31 -5.523 0.094 0.797 1.00 0.00 C ATOM 495 CD2 PHE A 31 -6.462 2.141 1.696 1.00 0.00 C ATOM 496 CE1 PHE A 31 -5.224 0.777 -0.393 1.00 0.00 C ATOM 497 CE2 PHE A 31 -6.173 2.803 0.507 1.00 0.00 C ATOM 498 CZ PHE A 31 -5.549 2.124 -0.530 1.00 0.00 C ATOM 0 H PHE A 31 -7.629 -1.385 1.928 1.00 0.00 H new ATOM 0 HA PHE A 31 -4.891 -1.395 3.086 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -7.536 0.147 3.368 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -5.997 0.695 4.002 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -5.280 -0.953 0.902 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -6.937 2.678 2.504 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -4.740 0.255 -1.205 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -6.434 3.845 0.391 1.00 0.00 H new ATOM 0 HZ PHE A 31 -5.314 2.643 -1.448 1.00 0.00 H new ATOM 508 N LYS A 32 -7.537 -1.823 4.977 1.00 0.00 N ATOM 509 CA LYS A 32 -7.963 -2.395 6.287 1.00 0.00 C ATOM 510 C LYS A 32 -7.514 -3.851 6.445 1.00 0.00 C ATOM 511 O LYS A 32 -7.432 -4.355 7.548 1.00 0.00 O ATOM 512 CB LYS A 32 -9.492 -2.313 6.268 1.00 0.00 C ATOM 513 CG LYS A 32 -9.928 -0.856 6.429 1.00 0.00 C ATOM 514 CD LYS A 32 -10.391 -0.615 7.867 1.00 0.00 C ATOM 515 CE LYS A 32 -11.622 0.296 7.863 1.00 0.00 C ATOM 516 NZ LYS A 32 -12.739 -0.565 8.342 1.00 0.00 N ATOM 0 H LYS A 32 -8.278 -1.359 4.452 1.00 0.00 H new ATOM 0 HA LYS A 32 -7.519 -1.851 7.121 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -9.877 -2.717 5.332 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -9.909 -2.919 7.072 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -9.101 -0.189 6.186 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -10.736 -0.628 5.733 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -10.630 -1.564 8.347 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -9.589 -0.158 8.446 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -11.479 1.156 8.517 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -11.823 0.684 6.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -13.619 -0.011 8.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -12.856 -1.372 7.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -12.523 -0.914 9.297 1.00 0.00 H new ATOM 530 N GLN A 33 -7.239 -4.546 5.374 1.00 0.00 N ATOM 531 CA GLN A 33 -6.824 -5.956 5.518 1.00 0.00 C ATOM 532 C GLN A 33 -5.368 -6.137 5.058 1.00 0.00 C ATOM 533 O GLN A 33 -4.453 -6.048 5.851 1.00 0.00 O ATOM 534 CB GLN A 33 -7.817 -6.718 4.638 1.00 0.00 C ATOM 535 CG GLN A 33 -7.211 -8.031 4.179 1.00 0.00 C ATOM 536 CD GLN A 33 -8.124 -9.190 4.588 1.00 0.00 C ATOM 537 OE1 GLN A 33 -8.821 -9.105 5.580 1.00 0.00 O ATOM 538 NE2 GLN A 33 -8.150 -10.277 3.866 1.00 0.00 N ATOM 0 H GLN A 33 -7.285 -4.196 4.417 1.00 0.00 H new ATOM 0 HA GLN A 33 -6.842 -6.315 6.547 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -8.735 -6.908 5.194 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -8.087 -6.112 3.773 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -7.079 -8.023 3.097 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -6.223 -8.161 4.620 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -7.566 -10.350 3.033 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -8.755 -11.053 4.135 1.00 0.00 H new ATOM 547 N GLY A 34 -5.133 -6.400 3.796 1.00 0.00 N ATOM 548 CA GLY A 34 -3.722 -6.589 3.352 1.00 0.00 C ATOM 549 C GLY A 34 -3.631 -6.755 1.832 1.00 0.00 C ATOM 550 O GLY A 34 -2.823 -7.516 1.335 1.00 0.00 O ATOM 0 H GLY A 34 -5.843 -6.490 3.069 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -3.124 -5.732 3.662 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -3.300 -7.467 3.841 1.00 0.00 H new ATOM 554 N LEU A 35 -4.415 -6.032 1.081 1.00 0.00 N ATOM 555 CA LEU A 35 -4.313 -6.144 -0.405 1.00 0.00 C ATOM 556 C LEU A 35 -3.590 -4.910 -0.936 1.00 0.00 C ATOM 557 O LEU A 35 -2.722 -4.998 -1.784 1.00 0.00 O ATOM 558 CB LEU A 35 -5.737 -6.160 -0.966 1.00 0.00 C ATOM 559 CG LEU A 35 -6.595 -7.226 -0.284 1.00 0.00 C ATOM 560 CD1 LEU A 35 -7.385 -6.612 0.872 1.00 0.00 C ATOM 561 CD2 LEU A 35 -7.576 -7.781 -1.316 1.00 0.00 C ATOM 0 H LEU A 35 -5.115 -5.375 1.425 1.00 0.00 H new ATOM 0 HA LEU A 35 -3.772 -7.045 -0.694 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -6.195 -5.180 -0.829 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -5.705 -6.349 -2.039 1.00 0.00 H new ATOM 0 HG LEU A 35 -5.954 -8.015 0.108 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -7.991 -7.383 1.348 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -6.694 -6.191 1.602 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -8.034 -5.824 0.491 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -8.200 -8.545 -0.851 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -8.207 -6.974 -1.689 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -7.022 -8.221 -2.145 1.00 0.00 H new ATOM 573 N ALA A 36 -3.972 -3.758 -0.450 1.00 0.00 N ATOM 574 CA ALA A 36 -3.334 -2.490 -0.928 1.00 0.00 C ATOM 575 C ALA A 36 -3.122 -1.485 0.205 1.00 0.00 C ATOM 576 O ALA A 36 -3.424 -1.735 1.356 1.00 0.00 O ATOM 577 CB ALA A 36 -4.338 -1.889 -1.903 1.00 0.00 C ATOM 0 H ALA A 36 -4.697 -3.638 0.257 1.00 0.00 H new ATOM 0 HA ALA A 36 -2.357 -2.702 -1.362 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -3.944 -0.953 -2.300 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -4.512 -2.586 -2.723 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -5.278 -1.697 -1.385 1.00 0.00 H new ATOM 583 N ILE A 37 -2.626 -0.328 -0.148 1.00 0.00 N ATOM 584 CA ILE A 37 -2.408 0.758 0.847 1.00 0.00 C ATOM 585 C ILE A 37 -2.722 2.100 0.177 1.00 0.00 C ATOM 586 O ILE A 37 -2.322 2.341 -0.944 1.00 0.00 O ATOM 587 CB ILE A 37 -0.926 0.667 1.233 1.00 0.00 C ATOM 588 CG1 ILE A 37 -0.779 -0.282 2.416 1.00 0.00 C ATOM 589 CG2 ILE A 37 -0.393 2.046 1.632 1.00 0.00 C ATOM 590 CD1 ILE A 37 0.685 -0.713 2.546 1.00 0.00 C ATOM 0 H ILE A 37 -2.359 -0.088 -1.103 1.00 0.00 H new ATOM 0 HA ILE A 37 -3.043 0.668 1.729 1.00 0.00 H new ATOM 0 HB ILE A 37 -0.358 0.300 0.378 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -1.108 0.208 3.332 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -1.415 -1.156 2.276 1.00 0.00 H new ATOM 0 HG21 ILE A 37 0.660 1.965 1.903 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -0.500 2.734 0.793 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -0.959 2.422 2.484 1.00 0.00 H new ATOM 0 HD11 ILE A 37 0.791 -1.392 3.392 1.00 0.00 H new ATOM 0 HD12 ILE A 37 0.998 -1.220 1.633 1.00 0.00 H new ATOM 0 HD13 ILE A 37 1.310 0.166 2.705 1.00 0.00 H new ATOM 602 N GLU A 38 -3.429 2.971 0.850 1.00 0.00 N ATOM 603 CA GLU A 38 -3.756 4.296 0.235 1.00 0.00 C ATOM 604 C GLU A 38 -2.554 4.815 -0.542 1.00 0.00 C ATOM 605 O GLU A 38 -1.514 5.087 0.022 1.00 0.00 O ATOM 606 CB GLU A 38 -4.064 5.224 1.409 1.00 0.00 C ATOM 607 CG GLU A 38 -4.329 6.635 0.876 1.00 0.00 C ATOM 608 CD GLU A 38 -3.713 7.659 1.828 1.00 0.00 C ATOM 609 OE1 GLU A 38 -4.114 7.682 2.979 1.00 0.00 O ATOM 610 OE2 GLU A 38 -2.848 8.401 1.390 1.00 0.00 O ATOM 0 H GLU A 38 -3.792 2.826 1.792 1.00 0.00 H new ATOM 0 HA GLU A 38 -4.593 4.230 -0.460 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -4.932 4.860 1.958 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -3.227 5.237 2.108 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -3.902 6.746 -0.121 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -5.402 6.806 0.784 1.00 0.00 H new ATOM 617 N ALA A 39 -2.668 4.939 -1.835 1.00 0.00 N ATOM 618 CA ALA A 39 -1.485 5.430 -2.609 1.00 0.00 C ATOM 619 C ALA A 39 -0.909 6.678 -1.941 1.00 0.00 C ATOM 620 O ALA A 39 -1.427 7.769 -2.078 1.00 0.00 O ATOM 621 CB ALA A 39 -1.997 5.775 -4.007 1.00 0.00 C ATOM 0 H ALA A 39 -3.504 4.729 -2.381 1.00 0.00 H new ATOM 0 HA ALA A 39 -0.697 4.678 -2.651 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -1.171 6.140 -4.617 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -2.423 4.884 -4.469 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -2.763 6.547 -3.934 1.00 0.00 H new ATOM 627 N THR A 40 0.171 6.520 -1.226 1.00 0.00 N ATOM 628 CA THR A 40 0.808 7.689 -0.549 1.00 0.00 C ATOM 629 C THR A 40 2.165 7.972 -1.179 1.00 0.00 C ATOM 630 O THR A 40 2.832 7.074 -1.642 1.00 0.00 O ATOM 631 CB THR A 40 0.981 7.307 0.934 1.00 0.00 C ATOM 632 OG1 THR A 40 2.128 7.957 1.459 1.00 0.00 O ATOM 633 CG2 THR A 40 1.158 5.793 1.099 1.00 0.00 C ATOM 0 H THR A 40 0.643 5.628 -1.080 1.00 0.00 H new ATOM 0 HA THR A 40 0.196 8.585 -0.650 1.00 0.00 H new ATOM 0 HB THR A 40 0.084 7.618 1.470 1.00 0.00 H new ATOM 0 HG1 THR A 40 1.866 8.524 2.214 1.00 0.00 H new ATOM 0 HG21 THR A 40 1.278 5.554 2.156 1.00 0.00 H new ATOM 0 HG22 THR A 40 0.280 5.279 0.708 1.00 0.00 H new ATOM 0 HG23 THR A 40 2.042 5.468 0.551 1.00 0.00 H new ATOM 641 N PRO A 41 2.531 9.216 -1.170 1.00 0.00 N ATOM 642 CA PRO A 41 3.844 9.573 -1.761 1.00 0.00 C ATOM 643 C PRO A 41 4.932 8.646 -1.210 1.00 0.00 C ATOM 644 O PRO A 41 5.587 7.938 -1.948 1.00 0.00 O ATOM 645 CB PRO A 41 4.065 11.017 -1.315 1.00 0.00 C ATOM 646 CG PRO A 41 3.239 11.167 -0.080 1.00 0.00 C ATOM 647 CD PRO A 41 2.054 10.253 -0.243 1.00 0.00 C ATOM 0 HA PRO A 41 3.875 9.470 -2.846 1.00 0.00 H new ATOM 0 HB2 PRO A 41 5.118 11.211 -1.112 1.00 0.00 H new ATOM 0 HB3 PRO A 41 3.754 11.721 -2.087 1.00 0.00 H new ATOM 0 HG2 PRO A 41 3.815 10.901 0.806 1.00 0.00 H new ATOM 0 HG3 PRO A 41 2.917 12.200 0.048 1.00 0.00 H new ATOM 0 HD2 PRO A 41 1.746 9.825 0.711 1.00 0.00 H new ATOM 0 HD3 PRO A 41 1.192 10.784 -0.647 1.00 0.00 H new ATOM 655 N ALA A 42 5.118 8.645 0.079 1.00 0.00 N ATOM 656 CA ALA A 42 6.148 7.764 0.698 1.00 0.00 C ATOM 657 C ALA A 42 6.226 6.406 -0.017 1.00 0.00 C ATOM 658 O ALA A 42 7.289 5.972 -0.416 1.00 0.00 O ATOM 659 CB ALA A 42 5.689 7.584 2.142 1.00 0.00 C ATOM 0 H ALA A 42 4.596 9.223 0.738 1.00 0.00 H new ATOM 0 HA ALA A 42 7.145 8.199 0.628 1.00 0.00 H new ATOM 0 HB1 ALA A 42 6.396 6.945 2.671 1.00 0.00 H new ATOM 0 HB2 ALA A 42 5.641 8.556 2.633 1.00 0.00 H new ATOM 0 HB3 ALA A 42 4.702 7.122 2.155 1.00 0.00 H new ATOM 665 N ASN A 43 5.120 5.719 -0.163 1.00 0.00 N ATOM 666 CA ASN A 43 5.161 4.380 -0.830 1.00 0.00 C ATOM 667 C ASN A 43 5.263 4.510 -2.354 1.00 0.00 C ATOM 668 O ASN A 43 6.017 3.804 -2.991 1.00 0.00 O ATOM 669 CB ASN A 43 3.846 3.702 -0.449 1.00 0.00 C ATOM 670 CG ASN A 43 4.128 2.576 0.544 1.00 0.00 C ATOM 671 OD1 ASN A 43 5.265 2.334 0.896 1.00 0.00 O ATOM 672 ND2 ASN A 43 3.136 1.872 1.014 1.00 0.00 N ATOM 0 H ASN A 43 4.198 6.024 0.148 1.00 0.00 H new ATOM 0 HA ASN A 43 6.034 3.810 -0.512 1.00 0.00 H new ATOM 0 HB2 ASN A 43 3.163 4.429 -0.008 1.00 0.00 H new ATOM 0 HB3 ASN A 43 3.358 3.304 -1.339 1.00 0.00 H new ATOM 0 HD21 ASN A 43 3.315 1.118 1.677 1.00 0.00 H new ATOM 0 HD22 ASN A 43 2.181 2.075 0.718 1.00 0.00 H new ATOM 679 N LEU A 44 4.502 5.383 -2.947 1.00 0.00 N ATOM 680 CA LEU A 44 4.558 5.521 -4.431 1.00 0.00 C ATOM 681 C LEU A 44 5.996 5.745 -4.898 1.00 0.00 C ATOM 682 O LEU A 44 6.421 5.202 -5.899 1.00 0.00 O ATOM 683 CB LEU A 44 3.669 6.728 -4.755 1.00 0.00 C ATOM 684 CG LEU A 44 2.219 6.264 -4.946 1.00 0.00 C ATOM 685 CD1 LEU A 44 1.858 5.230 -3.879 1.00 0.00 C ATOM 686 CD2 LEU A 44 1.271 7.459 -4.826 1.00 0.00 C ATOM 0 H LEU A 44 3.846 6.005 -2.474 1.00 0.00 H new ATOM 0 HA LEU A 44 4.212 4.622 -4.942 1.00 0.00 H new ATOM 0 HB2 LEU A 44 3.724 7.460 -3.949 1.00 0.00 H new ATOM 0 HB3 LEU A 44 4.025 7.222 -5.659 1.00 0.00 H new ATOM 0 HG LEU A 44 2.121 5.817 -5.935 1.00 0.00 H new ATOM 0 HD11 LEU A 44 0.827 4.905 -4.021 1.00 0.00 H new ATOM 0 HD12 LEU A 44 2.524 4.371 -3.964 1.00 0.00 H new ATOM 0 HD13 LEU A 44 1.965 5.675 -2.890 1.00 0.00 H new ATOM 0 HD21 LEU A 44 0.243 7.123 -4.963 1.00 0.00 H new ATOM 0 HD22 LEU A 44 1.377 7.910 -3.839 1.00 0.00 H new ATOM 0 HD23 LEU A 44 1.516 8.196 -5.590 1.00 0.00 H new ATOM 698 N LYS A 45 6.757 6.523 -4.183 1.00 0.00 N ATOM 699 CA LYS A 45 8.168 6.746 -4.602 1.00 0.00 C ATOM 700 C LYS A 45 9.014 5.541 -4.184 1.00 0.00 C ATOM 701 O LYS A 45 9.874 5.091 -4.913 1.00 0.00 O ATOM 702 CB LYS A 45 8.616 8.014 -3.874 1.00 0.00 C ATOM 703 CG LYS A 45 9.588 8.800 -4.763 1.00 0.00 C ATOM 704 CD LYS A 45 8.849 9.330 -5.997 1.00 0.00 C ATOM 705 CE LYS A 45 9.848 10.013 -6.937 1.00 0.00 C ATOM 706 NZ LYS A 45 9.066 10.363 -8.160 1.00 0.00 N ATOM 0 H LYS A 45 6.468 7.010 -3.335 1.00 0.00 H new ATOM 0 HA LYS A 45 8.275 6.859 -5.681 1.00 0.00 H new ATOM 0 HB2 LYS A 45 7.751 8.630 -3.630 1.00 0.00 H new ATOM 0 HB3 LYS A 45 9.098 7.754 -2.932 1.00 0.00 H new ATOM 0 HG2 LYS A 45 10.019 9.629 -4.202 1.00 0.00 H new ATOM 0 HG3 LYS A 45 10.414 8.159 -5.070 1.00 0.00 H new ATOM 0 HD2 LYS A 45 8.349 8.511 -6.514 1.00 0.00 H new ATOM 0 HD3 LYS A 45 8.076 10.037 -5.695 1.00 0.00 H new ATOM 0 HE2 LYS A 45 10.276 10.903 -6.476 1.00 0.00 H new ATOM 0 HE3 LYS A 45 10.678 9.349 -7.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 9.688 10.834 -8.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 8.677 9.496 -8.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 8.287 11.003 -7.903 1.00 0.00 H new ATOM 720 N ALA A 46 8.759 5.006 -3.021 1.00 0.00 N ATOM 721 CA ALA A 46 9.532 3.817 -2.564 1.00 0.00 C ATOM 722 C ALA A 46 9.334 2.670 -3.552 1.00 0.00 C ATOM 723 O ALA A 46 10.242 1.911 -3.832 1.00 0.00 O ATOM 724 CB ALA A 46 8.939 3.458 -1.205 1.00 0.00 C ATOM 0 H ALA A 46 8.050 5.341 -2.369 1.00 0.00 H new ATOM 0 HA ALA A 46 10.603 4.012 -2.499 1.00 0.00 H new ATOM 0 HB1 ALA A 46 9.457 2.588 -0.800 1.00 0.00 H new ATOM 0 HB2 ALA A 46 9.056 4.300 -0.523 1.00 0.00 H new ATOM 0 HB3 ALA A 46 7.880 3.229 -1.319 1.00 0.00 H new ATOM 730 N LEU A 47 8.152 2.545 -4.090 1.00 0.00 N ATOM 731 CA LEU A 47 7.893 1.456 -5.070 1.00 0.00 C ATOM 732 C LEU A 47 8.852 1.600 -6.254 1.00 0.00 C ATOM 733 O LEU A 47 9.231 0.632 -6.885 1.00 0.00 O ATOM 734 CB LEU A 47 6.443 1.678 -5.520 1.00 0.00 C ATOM 735 CG LEU A 47 5.463 0.792 -4.726 1.00 0.00 C ATOM 736 CD1 LEU A 47 5.177 -0.487 -5.513 1.00 0.00 C ATOM 737 CD2 LEU A 47 6.040 0.422 -3.350 1.00 0.00 C ATOM 0 H LEU A 47 7.355 3.150 -3.893 1.00 0.00 H new ATOM 0 HA LEU A 47 8.041 0.461 -4.651 1.00 0.00 H new ATOM 0 HB2 LEU A 47 6.176 2.727 -5.387 1.00 0.00 H new ATOM 0 HB3 LEU A 47 6.353 1.458 -6.584 1.00 0.00 H new ATOM 0 HG LEU A 47 4.541 1.354 -4.575 1.00 0.00 H new ATOM 0 HD11 LEU A 47 4.484 -1.113 -4.951 1.00 0.00 H new ATOM 0 HD12 LEU A 47 4.735 -0.231 -6.476 1.00 0.00 H new ATOM 0 HD13 LEU A 47 6.108 -1.031 -5.674 1.00 0.00 H new ATOM 0 HD21 LEU A 47 5.327 -0.203 -2.813 1.00 0.00 H new ATOM 0 HD22 LEU A 47 6.974 -0.124 -3.482 1.00 0.00 H new ATOM 0 HD23 LEU A 47 6.229 1.331 -2.778 1.00 0.00 H new ATOM 749 N GLU A 48 9.252 2.806 -6.559 1.00 0.00 N ATOM 750 CA GLU A 48 10.189 3.018 -7.700 1.00 0.00 C ATOM 751 C GLU A 48 11.630 2.750 -7.255 1.00 0.00 C ATOM 752 O GLU A 48 12.372 2.048 -7.912 1.00 0.00 O ATOM 753 CB GLU A 48 10.007 4.486 -8.095 1.00 0.00 C ATOM 754 CG GLU A 48 11.186 4.939 -8.958 1.00 0.00 C ATOM 755 CD GLU A 48 11.380 3.957 -10.114 1.00 0.00 C ATOM 756 OE1 GLU A 48 10.422 3.291 -10.467 1.00 0.00 O ATOM 757 OE2 GLU A 48 12.485 3.889 -10.627 1.00 0.00 O ATOM 0 H GLU A 48 8.970 3.654 -6.067 1.00 0.00 H new ATOM 0 HA GLU A 48 9.986 2.347 -8.534 1.00 0.00 H new ATOM 0 HB2 GLU A 48 9.073 4.612 -8.643 1.00 0.00 H new ATOM 0 HB3 GLU A 48 9.938 5.107 -7.202 1.00 0.00 H new ATOM 0 HG2 GLU A 48 11.003 5.941 -9.345 1.00 0.00 H new ATOM 0 HG3 GLU A 48 12.093 4.991 -8.355 1.00 0.00 H new ATOM 764 N ALA A 49 12.033 3.303 -6.142 1.00 0.00 N ATOM 765 CA ALA A 49 13.425 3.074 -5.658 1.00 0.00 C ATOM 766 C ALA A 49 13.731 1.574 -5.623 1.00 0.00 C ATOM 767 O ALA A 49 14.802 1.138 -5.995 1.00 0.00 O ATOM 768 CB ALA A 49 13.455 3.658 -4.246 1.00 0.00 C ATOM 0 H ALA A 49 11.460 3.902 -5.548 1.00 0.00 H new ATOM 0 HA ALA A 49 14.169 3.537 -6.306 1.00 0.00 H new ATOM 0 HB1 ALA A 49 14.450 3.528 -3.820 1.00 0.00 H new ATOM 0 HB2 ALA A 49 13.213 4.720 -4.286 1.00 0.00 H new ATOM 0 HB3 ALA A 49 12.723 3.143 -3.624 1.00 0.00 H new ATOM 774 N GLN A 50 12.794 0.784 -5.175 1.00 0.00 N ATOM 775 CA GLN A 50 13.023 -0.689 -5.111 1.00 0.00 C ATOM 776 C GLN A 50 13.373 -1.233 -6.501 1.00 0.00 C ATOM 777 O GLN A 50 14.063 -2.223 -6.636 1.00 0.00 O ATOM 778 CB GLN A 50 11.692 -1.272 -4.631 1.00 0.00 C ATOM 779 CG GLN A 50 11.864 -1.893 -3.240 1.00 0.00 C ATOM 780 CD GLN A 50 12.508 -3.274 -3.371 1.00 0.00 C ATOM 781 OE1 GLN A 50 13.231 -3.534 -4.313 1.00 0.00 O ATOM 782 NE2 GLN A 50 12.271 -4.178 -2.459 1.00 0.00 N ATOM 0 H GLN A 50 11.878 1.095 -4.850 1.00 0.00 H new ATOM 0 HA GLN A 50 13.849 -0.950 -4.450 1.00 0.00 H new ATOM 0 HB2 GLN A 50 10.934 -0.490 -4.598 1.00 0.00 H new ATOM 0 HB3 GLN A 50 11.341 -2.027 -5.335 1.00 0.00 H new ATOM 0 HG2 GLN A 50 12.485 -1.249 -2.617 1.00 0.00 H new ATOM 0 HG3 GLN A 50 10.896 -1.977 -2.746 1.00 0.00 H new ATOM 0 HE21 GLN A 50 11.664 -3.959 -1.669 1.00 0.00 H new ATOM 0 HE22 GLN A 50 12.693 -5.103 -2.537 1.00 0.00 H new ATOM 791 N LYS A 51 12.891 -0.596 -7.535 1.00 0.00 N ATOM 792 CA LYS A 51 13.184 -1.076 -8.918 1.00 0.00 C ATOM 793 C LYS A 51 14.462 -0.428 -9.466 1.00 0.00 C ATOM 794 O LYS A 51 15.304 -1.088 -10.043 1.00 0.00 O ATOM 795 CB LYS A 51 11.977 -0.637 -9.746 1.00 0.00 C ATOM 796 CG LYS A 51 11.143 -1.859 -10.126 1.00 0.00 C ATOM 797 CD LYS A 51 11.987 -2.813 -10.974 1.00 0.00 C ATOM 798 CE LYS A 51 11.619 -4.258 -10.635 1.00 0.00 C ATOM 799 NZ LYS A 51 12.408 -4.579 -9.414 1.00 0.00 N ATOM 0 H LYS A 51 12.306 0.238 -7.482 1.00 0.00 H new ATOM 0 HA LYS A 51 13.344 -2.154 -8.947 1.00 0.00 H new ATOM 0 HB2 LYS A 51 11.370 0.067 -9.177 1.00 0.00 H new ATOM 0 HB3 LYS A 51 12.310 -0.118 -10.645 1.00 0.00 H new ATOM 0 HG2 LYS A 51 10.794 -2.367 -9.227 1.00 0.00 H new ATOM 0 HG3 LYS A 51 10.258 -1.549 -10.681 1.00 0.00 H new ATOM 0 HD2 LYS A 51 11.817 -2.622 -12.034 1.00 0.00 H new ATOM 0 HD3 LYS A 51 13.047 -2.643 -10.786 1.00 0.00 H new ATOM 0 HE2 LYS A 51 10.549 -4.361 -10.452 1.00 0.00 H new ATOM 0 HE3 LYS A 51 11.868 -4.932 -11.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 12.288 -5.585 -9.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 13.414 -4.382 -9.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 12.074 -3.995 -8.621 1.00 0.00 H new ATOM 813 N GLN A 52 14.604 0.861 -9.312 1.00 0.00 N ATOM 814 CA GLN A 52 15.816 1.549 -9.847 1.00 0.00 C ATOM 815 C GLN A 52 17.014 1.385 -8.903 1.00 0.00 C ATOM 816 O GLN A 52 17.241 2.193 -8.025 1.00 0.00 O ATOM 817 CB GLN A 52 15.415 3.021 -9.952 1.00 0.00 C ATOM 818 CG GLN A 52 15.760 3.549 -11.346 1.00 0.00 C ATOM 819 CD GLN A 52 15.476 5.050 -11.406 1.00 0.00 C ATOM 820 OE1 GLN A 52 16.254 5.807 -11.954 1.00 0.00 O ATOM 821 NE2 GLN A 52 14.386 5.519 -10.863 1.00 0.00 N ATOM 0 H GLN A 52 13.934 1.468 -8.839 1.00 0.00 H new ATOM 0 HA GLN A 52 16.126 1.131 -10.805 1.00 0.00 H new ATOM 0 HB2 GLN A 52 14.347 3.132 -9.764 1.00 0.00 H new ATOM 0 HB3 GLN A 52 15.934 3.605 -9.192 1.00 0.00 H new ATOM 0 HG2 GLN A 52 16.809 3.357 -11.570 1.00 0.00 H new ATOM 0 HG3 GLN A 52 15.172 3.026 -12.101 1.00 0.00 H new ATOM 0 HE21 GLN A 52 13.732 4.886 -10.403 1.00 0.00 H new ATOM 0 HE22 GLN A 52 14.188 6.519 -10.899 1.00 0.00 H new ATOM 830 N LYS A 53 17.794 0.356 -9.095 1.00 0.00 N ATOM 831 CA LYS A 53 18.992 0.146 -8.233 1.00 0.00 C ATOM 832 C LYS A 53 20.235 0.641 -8.982 1.00 0.00 C ATOM 833 O LYS A 53 20.238 1.724 -9.531 1.00 0.00 O ATOM 834 CB LYS A 53 19.056 -1.366 -8.004 1.00 0.00 C ATOM 835 CG LYS A 53 19.911 -1.664 -6.771 1.00 0.00 C ATOM 836 CD LYS A 53 19.044 -1.574 -5.512 1.00 0.00 C ATOM 837 CE LYS A 53 19.742 -2.295 -4.356 1.00 0.00 C ATOM 838 NZ LYS A 53 18.648 -2.669 -3.416 1.00 0.00 N ATOM 0 H LYS A 53 17.652 -0.352 -9.816 1.00 0.00 H new ATOM 0 HA LYS A 53 18.942 0.686 -7.288 1.00 0.00 H new ATOM 0 HB2 LYS A 53 18.051 -1.766 -7.867 1.00 0.00 H new ATOM 0 HB3 LYS A 53 19.479 -1.859 -8.880 1.00 0.00 H new ATOM 0 HG2 LYS A 53 20.350 -2.658 -6.852 1.00 0.00 H new ATOM 0 HG3 LYS A 53 20.736 -0.955 -6.708 1.00 0.00 H new ATOM 0 HD2 LYS A 53 18.871 -0.530 -5.251 1.00 0.00 H new ATOM 0 HD3 LYS A 53 18.068 -2.022 -5.697 1.00 0.00 H new ATOM 0 HE2 LYS A 53 20.279 -3.176 -4.707 1.00 0.00 H new ATOM 0 HE3 LYS A 53 20.474 -1.648 -3.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 19.050 -3.168 -2.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 18.159 -1.810 -3.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 17.970 -3.291 -3.902 1.00 0.00 H new ATOM 852 N GLU A 54 21.283 -0.140 -9.037 1.00 0.00 N ATOM 853 CA GLU A 54 22.492 0.316 -9.786 1.00 0.00 C ATOM 854 C GLU A 54 22.260 0.109 -11.285 1.00 0.00 C ATOM 855 O GLU A 54 21.643 -0.853 -11.698 1.00 0.00 O ATOM 856 CB GLU A 54 23.641 -0.562 -9.285 1.00 0.00 C ATOM 857 CG GLU A 54 24.690 0.319 -8.602 1.00 0.00 C ATOM 858 CD GLU A 54 26.055 0.096 -9.252 1.00 0.00 C ATOM 859 OE1 GLU A 54 26.324 0.739 -10.254 1.00 0.00 O ATOM 860 OE2 GLU A 54 26.810 -0.714 -8.739 1.00 0.00 O ATOM 0 H GLU A 54 21.355 -1.060 -8.603 1.00 0.00 H new ATOM 0 HA GLU A 54 22.711 1.372 -9.629 1.00 0.00 H new ATOM 0 HB2 GLU A 54 23.265 -1.309 -8.585 1.00 0.00 H new ATOM 0 HB3 GLU A 54 24.090 -1.103 -10.118 1.00 0.00 H new ATOM 0 HG2 GLU A 54 24.406 1.368 -8.683 1.00 0.00 H new ATOM 0 HG3 GLU A 54 24.740 0.083 -7.539 1.00 0.00 H new ATOM 867 N GLN A 55 22.738 1.004 -12.106 1.00 0.00 N ATOM 868 CA GLN A 55 22.527 0.851 -13.574 1.00 0.00 C ATOM 869 C GLN A 55 23.587 1.645 -14.336 1.00 0.00 C ATOM 870 O GLN A 55 23.313 2.685 -14.900 1.00 0.00 O ATOM 871 CB GLN A 55 21.134 1.427 -13.837 1.00 0.00 C ATOM 872 CG GLN A 55 20.583 0.855 -15.146 1.00 0.00 C ATOM 873 CD GLN A 55 20.200 1.998 -16.087 1.00 0.00 C ATOM 874 OE1 GLN A 55 19.176 1.949 -16.739 1.00 0.00 O ATOM 875 NE2 GLN A 55 20.988 3.032 -16.187 1.00 0.00 N ATOM 0 H GLN A 55 23.264 1.832 -11.825 1.00 0.00 H new ATOM 0 HA GLN A 55 22.605 -0.186 -13.900 1.00 0.00 H new ATOM 0 HB2 GLN A 55 20.466 1.182 -13.011 1.00 0.00 H new ATOM 0 HB3 GLN A 55 21.184 2.514 -13.895 1.00 0.00 H new ATOM 0 HG2 GLN A 55 21.330 0.217 -15.618 1.00 0.00 H new ATOM 0 HG3 GLN A 55 19.713 0.231 -14.944 1.00 0.00 H new ATOM 0 HE21 GLN A 55 21.848 3.073 -15.640 1.00 0.00 H new ATOM 0 HE22 GLN A 55 20.745 3.800 -16.813 1.00 0.00 H new ATOM 884 N ARG A 56 24.799 1.167 -14.346 1.00 0.00 N ATOM 885 CA ARG A 56 25.881 1.900 -15.058 1.00 0.00 C ATOM 886 C ARG A 56 27.040 0.952 -15.377 1.00 0.00 C ATOM 887 O ARG A 56 28.175 1.390 -15.296 1.00 0.00 O ATOM 888 CB ARG A 56 26.318 2.979 -14.070 1.00 0.00 C ATOM 889 CG ARG A 56 26.796 4.217 -14.833 1.00 0.00 C ATOM 890 CD ARG A 56 28.042 4.789 -14.150 1.00 0.00 C ATOM 891 NE ARG A 56 27.708 6.210 -13.860 1.00 0.00 N ATOM 892 CZ ARG A 56 26.670 6.498 -13.124 1.00 0.00 C ATOM 893 NH1 ARG A 56 26.321 5.708 -12.146 1.00 0.00 N ATOM 894 NH2 ARG A 56 25.980 7.579 -13.365 1.00 0.00 N ATOM 895 OXT ARG A 56 26.771 -0.196 -15.694 1.00 0.00 O ATOM 0 H ARG A 56 25.087 0.300 -13.892 1.00 0.00 H new ATOM 0 HA ARG A 56 25.553 2.320 -16.009 1.00 0.00 H new ATOM 0 HB2 ARG A 56 25.488 3.242 -13.414 1.00 0.00 H new ATOM 0 HB3 ARG A 56 27.119 2.601 -13.434 1.00 0.00 H new ATOM 0 HG2 ARG A 56 27.023 3.955 -15.867 1.00 0.00 H new ATOM 0 HG3 ARG A 56 26.006 4.968 -14.860 1.00 0.00 H new ATOM 0 HD2 ARG A 56 28.275 4.244 -13.235 1.00 0.00 H new ATOM 0 HD3 ARG A 56 28.916 4.714 -14.797 1.00 0.00 H new ATOM 0 HE ARG A 56 28.290 6.958 -14.236 1.00 0.00 H new ATOM 0 HH11 ARG A 56 26.860 4.863 -11.956 1.00 0.00 H new ATOM 0 HH12 ARG A 56 25.509 5.935 -11.572 1.00 0.00 H new ATOM 0 HH21 ARG A 56 26.252 8.198 -14.128 1.00 0.00 H new ATOM 0 HH22 ARG A 56 25.168 7.805 -12.790 1.00 0.00 H new TER 909 ARG A 56