USER MOD reduce.3.24.130724 H: found=0, std=0, add=470, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 468 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 Set 1.1: A 48 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 50 GLN : amide:sc= -5.15! C(o=-5.1!,f=-6!) USER MOD Set 2.1: A 5 GLN : amide:sc= -2.32 X(o=-5.7,f=-5.4!) USER MOD Set 2.2: A 7 ASN : amide:sc= -3.4 K(o=-5.7,f=-12!) USER MOD Single : A 1 GLY N :NH3+ -119:sc= 0.0837 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0.00928 USER MOD Single : A 13 HIS : no HD1:sc= -2.83 K(o=-2.8,f=-4.2!) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 43:sc= 1.23 USER MOD Single : A 18 SER OG : rot 65:sc= 0.0858 USER MOD Single : A 19 HIS : no HD1:sc= -1.99 K(o=-2,f=-3.6!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= -1.52 K(o=-1.5,f=-0.15) USER MOD Single : A 36 GLN : amide:sc= -2.03! C(o=-2!,f=-1.7!) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=-0.069) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -0.519 K(o=-0.52,f=-2.1!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= -0.217 K(o=-0.22,f=-1.8) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -13.388 12.309 17.601 1.00 0.00 N ATOM 2 CA GLY A 1 -12.336 11.576 18.361 1.00 0.00 C ATOM 3 C GLY A 1 -11.594 10.626 17.420 1.00 0.00 C ATOM 4 O GLY A 1 -12.093 10.256 16.376 1.00 0.00 O ATOM 0 H1 GLY A 1 -13.195 13.330 17.638 1.00 0.00 H new ATOM 0 H2 GLY A 1 -13.385 11.992 16.610 1.00 0.00 H new ATOM 0 H3 GLY A 1 -14.319 12.117 18.023 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -11.636 12.283 18.807 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -12.788 11.015 19.179 1.00 0.00 H new ATOM 10 N SER A 2 -10.404 10.229 17.780 1.00 0.00 N ATOM 11 CA SER A 2 -9.630 9.303 16.905 1.00 0.00 C ATOM 12 C SER A 2 -9.228 8.050 17.687 1.00 0.00 C ATOM 13 O SER A 2 -8.103 7.927 18.130 1.00 0.00 O ATOM 14 CB SER A 2 -8.391 10.095 16.487 1.00 0.00 C ATOM 15 OG SER A 2 -8.169 11.149 17.412 1.00 0.00 O ATOM 0 H SER A 2 -9.934 10.506 18.642 1.00 0.00 H new ATOM 0 HA SER A 2 -10.208 8.968 16.044 1.00 0.00 H new ATOM 0 HB2 SER A 2 -7.521 9.439 16.452 1.00 0.00 H new ATOM 0 HB3 SER A 2 -8.526 10.499 15.484 1.00 0.00 H new ATOM 0 HG SER A 2 -7.374 11.656 17.146 1.00 0.00 H new ATOM 21 N PRO A 3 -10.169 7.157 17.830 1.00 0.00 N ATOM 22 CA PRO A 3 -9.873 5.906 18.577 1.00 0.00 C ATOM 23 C PRO A 3 -8.719 5.148 17.913 1.00 0.00 C ATOM 24 O PRO A 3 -8.561 5.170 16.709 1.00 0.00 O ATOM 25 CB PRO A 3 -11.167 5.105 18.486 1.00 0.00 C ATOM 26 CG PRO A 3 -11.844 5.611 17.256 1.00 0.00 C ATOM 27 CD PRO A 3 -11.442 7.054 17.099 1.00 0.00 C ATOM 0 HA PRO A 3 -9.568 6.091 19.607 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -10.966 4.036 18.415 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -11.788 5.255 19.369 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -11.545 5.030 16.384 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -12.926 5.519 17.345 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -11.321 7.322 16.049 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -12.195 7.724 17.514 1.00 0.00 H new ATOM 35 N LEU A 4 -7.910 4.481 18.691 1.00 0.00 N ATOM 36 CA LEU A 4 -6.766 3.724 18.105 1.00 0.00 C ATOM 37 C LEU A 4 -7.062 2.222 18.120 1.00 0.00 C ATOM 38 O LEU A 4 -7.340 1.643 19.152 1.00 0.00 O ATOM 39 CB LEU A 4 -5.576 4.044 19.010 1.00 0.00 C ATOM 40 CG LEU A 4 -4.275 3.689 18.287 1.00 0.00 C ATOM 41 CD1 LEU A 4 -3.997 4.728 17.199 1.00 0.00 C ATOM 42 CD2 LEU A 4 -3.121 3.680 19.291 1.00 0.00 C ATOM 0 H LEU A 4 -7.991 4.427 19.706 1.00 0.00 H new ATOM 0 HA LEU A 4 -6.576 4.000 17.068 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -5.581 5.101 19.274 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -5.652 3.482 19.941 1.00 0.00 H new ATOM 0 HG LEU A 4 -4.369 2.703 17.832 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -3.070 4.476 16.683 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -4.820 4.735 16.484 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -3.903 5.714 17.653 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -2.194 3.427 18.777 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -3.027 4.666 19.746 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -3.319 2.940 20.067 1.00 0.00 H new ATOM 54 N GLN A 5 -7.004 1.584 16.982 1.00 0.00 N ATOM 55 CA GLN A 5 -7.280 0.119 16.934 1.00 0.00 C ATOM 56 C GLN A 5 -6.350 -0.625 17.896 1.00 0.00 C ATOM 57 O GLN A 5 -6.664 -1.698 18.373 1.00 0.00 O ATOM 58 CB GLN A 5 -6.997 -0.289 15.488 1.00 0.00 C ATOM 59 CG GLN A 5 -7.680 -1.627 15.193 1.00 0.00 C ATOM 60 CD GLN A 5 -7.489 -1.981 13.717 1.00 0.00 C ATOM 61 OE1 GLN A 5 -7.052 -1.160 12.935 1.00 0.00 O ATOM 62 NE2 GLN A 5 -7.798 -3.178 13.300 1.00 0.00 N ATOM 0 H GLN A 5 -6.778 2.013 16.085 1.00 0.00 H new ATOM 0 HA GLN A 5 -8.301 -0.121 17.232 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -7.363 0.477 14.804 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -5.922 -0.373 15.326 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -7.258 -2.410 15.824 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -8.742 -1.565 15.429 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -8.165 -3.868 13.956 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -7.673 -3.424 12.318 1.00 0.00 H new ATOM 71 N ASP A 6 -5.208 -0.063 18.184 1.00 0.00 N ATOM 72 CA ASP A 6 -4.259 -0.737 19.115 1.00 0.00 C ATOM 73 C ASP A 6 -3.949 -2.154 18.623 1.00 0.00 C ATOM 74 O ASP A 6 -4.154 -3.124 19.327 1.00 0.00 O ATOM 75 CB ASP A 6 -4.988 -0.782 20.458 1.00 0.00 C ATOM 76 CG ASP A 6 -5.395 0.637 20.863 1.00 0.00 C ATOM 77 OD1 ASP A 6 -4.804 1.572 20.348 1.00 0.00 O ATOM 78 OD2 ASP A 6 -6.291 0.764 21.681 1.00 0.00 O ATOM 0 H ASP A 6 -4.891 0.834 17.815 1.00 0.00 H new ATOM 0 HA ASP A 6 -3.306 -0.212 19.185 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -5.870 -1.418 20.384 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -4.343 -1.219 21.220 1.00 0.00 H new ATOM 83 N ASN A 7 -3.459 -2.282 17.420 1.00 0.00 N ATOM 84 CA ASN A 7 -3.137 -3.635 16.885 1.00 0.00 C ATOM 85 C ASN A 7 -1.778 -4.104 17.412 1.00 0.00 C ATOM 86 O ASN A 7 -1.399 -5.247 17.248 1.00 0.00 O ATOM 87 CB ASN A 7 -3.092 -3.460 15.366 1.00 0.00 C ATOM 88 CG ASN A 7 -4.506 -3.215 14.839 1.00 0.00 C ATOM 89 OD1 ASN A 7 -4.739 -2.276 14.105 1.00 0.00 O ATOM 90 ND2 ASN A 7 -5.468 -4.028 15.183 1.00 0.00 N ATOM 0 H ASN A 7 -3.268 -1.507 16.784 1.00 0.00 H new ATOM 0 HA ASN A 7 -3.869 -4.383 17.188 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -2.445 -2.623 15.105 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -2.667 -4.349 14.899 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -6.414 -3.874 14.835 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -5.273 -4.817 15.799 1.00 0.00 H new ATOM 97 N LEU A 8 -1.041 -3.231 18.042 1.00 0.00 N ATOM 98 CA LEU A 8 0.292 -3.628 18.578 1.00 0.00 C ATOM 99 C LEU A 8 0.121 -4.575 19.769 1.00 0.00 C ATOM 100 O LEU A 8 -0.782 -4.427 20.567 1.00 0.00 O ATOM 101 CB LEU A 8 0.946 -2.320 19.023 1.00 0.00 C ATOM 102 CG LEU A 8 2.403 -2.583 19.406 1.00 0.00 C ATOM 103 CD1 LEU A 8 3.249 -2.707 18.136 1.00 0.00 C ATOM 104 CD2 LEU A 8 2.924 -1.422 20.255 1.00 0.00 C ATOM 0 H LEU A 8 -1.304 -2.260 18.209 1.00 0.00 H new ATOM 0 HA LEU A 8 0.895 -4.153 17.838 1.00 0.00 H new ATOM 0 HB2 LEU A 8 0.897 -1.585 18.220 1.00 0.00 H new ATOM 0 HB3 LEU A 8 0.406 -1.901 19.872 1.00 0.00 H new ATOM 0 HG LEU A 8 2.468 -3.509 19.978 1.00 0.00 H new ATOM 0 HD11 LEU A 8 4.288 -2.894 18.408 1.00 0.00 H new ATOM 0 HD12 LEU A 8 2.877 -3.534 17.531 1.00 0.00 H new ATOM 0 HD13 LEU A 8 3.185 -1.781 17.564 1.00 0.00 H new ATOM 0 HD21 LEU A 8 3.962 -1.609 20.528 1.00 0.00 H new ATOM 0 HD22 LEU A 8 2.860 -0.496 19.684 1.00 0.00 H new ATOM 0 HD23 LEU A 8 2.321 -1.333 21.159 1.00 0.00 H new ATOM 116 N VAL A 9 0.982 -5.548 19.893 1.00 0.00 N ATOM 117 CA VAL A 9 0.866 -6.504 21.032 1.00 0.00 C ATOM 118 C VAL A 9 2.249 -7.021 21.433 1.00 0.00 C ATOM 119 O VAL A 9 3.225 -6.822 20.736 1.00 0.00 O ATOM 120 CB VAL A 9 -0.001 -7.646 20.504 1.00 0.00 C ATOM 121 CG1 VAL A 9 -1.418 -7.132 20.238 1.00 0.00 C ATOM 122 CG2 VAL A 9 0.599 -8.184 19.203 1.00 0.00 C ATOM 0 H VAL A 9 1.760 -5.723 19.256 1.00 0.00 H new ATOM 0 HA VAL A 9 0.433 -6.039 21.918 1.00 0.00 H new ATOM 0 HB VAL A 9 -0.038 -8.445 21.245 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -2.036 -7.947 19.861 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -1.846 -6.750 21.165 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.382 -6.332 19.498 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -0.020 -8.999 18.827 1.00 0.00 H new ATOM 0 HG22 VAL A 9 0.637 -7.385 18.462 1.00 0.00 H new ATOM 0 HG23 VAL A 9 1.607 -8.552 19.392 1.00 0.00 H new ATOM 132 N ILE A 10 2.341 -7.688 22.551 1.00 0.00 N ATOM 133 CA ILE A 10 3.659 -8.224 22.996 1.00 0.00 C ATOM 134 C ILE A 10 3.654 -9.753 22.914 1.00 0.00 C ATOM 135 O ILE A 10 2.667 -10.395 23.214 1.00 0.00 O ATOM 136 CB ILE A 10 3.805 -7.767 24.447 1.00 0.00 C ATOM 137 CG1 ILE A 10 3.634 -6.248 24.526 1.00 0.00 C ATOM 138 CG2 ILE A 10 5.194 -8.150 24.964 1.00 0.00 C ATOM 139 CD1 ILE A 10 3.604 -5.815 25.993 1.00 0.00 C ATOM 0 H ILE A 10 1.560 -7.885 23.176 1.00 0.00 H new ATOM 0 HA ILE A 10 4.482 -7.871 22.375 1.00 0.00 H new ATOM 0 HB ILE A 10 3.042 -8.250 25.057 1.00 0.00 H new ATOM 0 HG12 ILE A 10 4.453 -5.751 24.006 1.00 0.00 H new ATOM 0 HG13 ILE A 10 2.712 -5.949 24.028 1.00 0.00 H new ATOM 0 HG21 ILE A 10 5.300 -7.825 25.999 1.00 0.00 H new ATOM 0 HG22 ILE A 10 5.317 -9.232 24.909 1.00 0.00 H new ATOM 0 HG23 ILE A 10 5.956 -7.667 24.352 1.00 0.00 H new ATOM 0 HD11 ILE A 10 3.482 -4.733 26.051 1.00 0.00 H new ATOM 0 HD12 ILE A 10 2.770 -6.302 26.499 1.00 0.00 H new ATOM 0 HD13 ILE A 10 4.538 -6.101 26.476 1.00 0.00 H new ATOM 151 N ALA A 11 4.745 -10.342 22.509 1.00 0.00 N ATOM 152 CA ALA A 11 4.791 -11.827 22.410 1.00 0.00 C ATOM 153 C ALA A 11 5.030 -12.444 23.789 1.00 0.00 C ATOM 154 O ALA A 11 6.106 -12.345 24.344 1.00 0.00 O ATOM 155 CB ALA A 11 5.967 -12.126 21.480 1.00 0.00 C ATOM 0 H ALA A 11 5.604 -9.861 22.243 1.00 0.00 H new ATOM 0 HA ALA A 11 3.856 -12.243 22.034 1.00 0.00 H new ATOM 0 HB1 ALA A 11 6.068 -13.204 21.356 1.00 0.00 H new ATOM 0 HB2 ALA A 11 5.790 -11.664 20.509 1.00 0.00 H new ATOM 0 HB3 ALA A 11 6.883 -11.723 21.911 1.00 0.00 H new ATOM 161 N LEU A 12 4.044 -13.092 24.345 1.00 0.00 N ATOM 162 CA LEU A 12 4.234 -13.722 25.682 1.00 0.00 C ATOM 163 C LEU A 12 5.180 -14.915 25.547 1.00 0.00 C ATOM 164 O LEU A 12 5.835 -15.317 26.487 1.00 0.00 O ATOM 165 CB LEU A 12 2.841 -14.182 26.112 1.00 0.00 C ATOM 166 CG LEU A 12 1.885 -12.985 26.115 1.00 0.00 C ATOM 167 CD1 LEU A 12 0.509 -13.434 26.614 1.00 0.00 C ATOM 168 CD2 LEU A 12 2.432 -11.896 27.040 1.00 0.00 C ATOM 0 H LEU A 12 3.118 -13.212 23.934 1.00 0.00 H new ATOM 0 HA LEU A 12 4.669 -13.039 26.412 1.00 0.00 H new ATOM 0 HB2 LEU A 12 2.475 -14.952 25.432 1.00 0.00 H new ATOM 0 HB3 LEU A 12 2.885 -14.629 27.105 1.00 0.00 H new ATOM 0 HG LEU A 12 1.795 -12.590 25.103 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.172 -12.583 26.617 1.00 0.00 H new ATOM 0 HD12 LEU A 12 0.118 -14.210 25.955 1.00 0.00 H new ATOM 0 HD13 LEU A 12 0.600 -13.829 27.626 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.751 -11.045 27.042 1.00 0.00 H new ATOM 0 HD22 LEU A 12 2.523 -12.290 28.052 1.00 0.00 H new ATOM 0 HD23 LEU A 12 3.412 -11.576 26.686 1.00 0.00 H new ATOM 180 N HIS A 13 5.253 -15.479 24.373 1.00 0.00 N ATOM 181 CA HIS A 13 6.152 -16.645 24.149 1.00 0.00 C ATOM 182 C HIS A 13 6.578 -16.691 22.680 1.00 0.00 C ATOM 183 O HIS A 13 5.840 -16.296 21.800 1.00 0.00 O ATOM 184 CB HIS A 13 5.305 -17.866 24.501 1.00 0.00 C ATOM 185 CG HIS A 13 5.031 -17.877 25.980 1.00 0.00 C ATOM 186 ND1 HIS A 13 3.878 -17.333 26.522 1.00 0.00 N ATOM 187 CD2 HIS A 13 5.752 -18.364 27.043 1.00 0.00 C ATOM 188 CE1 HIS A 13 3.937 -17.503 27.856 1.00 0.00 C ATOM 189 NE2 HIS A 13 5.059 -18.127 28.226 1.00 0.00 N ATOM 0 H HIS A 13 4.724 -15.180 23.554 1.00 0.00 H new ATOM 0 HA HIS A 13 7.062 -16.597 24.748 1.00 0.00 H new ATOM 0 HB2 HIS A 13 4.367 -17.843 23.947 1.00 0.00 H new ATOM 0 HB3 HIS A 13 5.825 -18.779 24.210 1.00 0.00 H new ATOM 0 HD2 HIS A 13 6.711 -18.856 26.971 1.00 0.00 H new ATOM 0 HE1 HIS A 13 3.171 -17.175 28.543 1.00 0.00 H new ATOM 0 HE2 HIS A 13 5.346 -18.376 29.173 1.00 0.00 H new ATOM 197 N SER A 14 7.760 -17.167 22.403 1.00 0.00 N ATOM 198 CA SER A 14 8.218 -17.231 20.985 1.00 0.00 C ATOM 199 C SER A 14 7.324 -18.185 20.189 1.00 0.00 C ATOM 200 O SER A 14 6.863 -19.187 20.699 1.00 0.00 O ATOM 201 CB SER A 14 9.650 -17.762 21.052 1.00 0.00 C ATOM 202 OG SER A 14 9.626 -19.156 21.318 1.00 0.00 O ATOM 0 H SER A 14 8.427 -17.513 23.093 1.00 0.00 H new ATOM 0 HA SER A 14 8.170 -16.262 20.489 1.00 0.00 H new ATOM 0 HB2 SER A 14 10.165 -17.569 20.111 1.00 0.00 H new ATOM 0 HB3 SER A 14 10.206 -17.242 21.832 1.00 0.00 H new ATOM 0 HG SER A 14 10.544 -19.497 21.359 1.00 0.00 H new ATOM 208 N TYR A 15 7.072 -17.887 18.942 1.00 0.00 N ATOM 209 CA TYR A 15 6.204 -18.787 18.129 1.00 0.00 C ATOM 210 C TYR A 15 7.062 -19.730 17.279 1.00 0.00 C ATOM 211 O TYR A 15 8.209 -19.451 16.992 1.00 0.00 O ATOM 212 CB TYR A 15 5.386 -17.854 17.237 1.00 0.00 C ATOM 213 CG TYR A 15 4.498 -18.675 16.331 1.00 0.00 C ATOM 214 CD1 TYR A 15 3.591 -19.589 16.881 1.00 0.00 C ATOM 215 CD2 TYR A 15 4.584 -18.523 14.944 1.00 0.00 C ATOM 216 CE1 TYR A 15 2.769 -20.350 16.041 1.00 0.00 C ATOM 217 CE2 TYR A 15 3.762 -19.283 14.102 1.00 0.00 C ATOM 218 CZ TYR A 15 2.855 -20.197 14.651 1.00 0.00 C ATOM 219 OH TYR A 15 2.045 -20.946 13.823 1.00 0.00 O ATOM 0 H TYR A 15 7.427 -17.065 18.454 1.00 0.00 H new ATOM 0 HA TYR A 15 5.567 -19.415 18.752 1.00 0.00 H new ATOM 0 HB2 TYR A 15 4.781 -17.186 17.850 1.00 0.00 H new ATOM 0 HB3 TYR A 15 6.050 -17.227 16.642 1.00 0.00 H new ATOM 0 HD1 TYR A 15 3.525 -19.707 17.953 1.00 0.00 H new ATOM 0 HD2 TYR A 15 5.285 -17.819 14.521 1.00 0.00 H new ATOM 0 HE1 TYR A 15 2.069 -21.055 16.464 1.00 0.00 H new ATOM 0 HE2 TYR A 15 3.828 -19.164 13.031 1.00 0.00 H new ATOM 0 HH TYR A 15 1.138 -20.976 14.193 1.00 0.00 H new ATOM 229 N GLU A 16 6.512 -20.842 16.875 1.00 0.00 N ATOM 230 CA GLU A 16 7.293 -21.803 16.044 1.00 0.00 C ATOM 231 C GLU A 16 6.743 -21.827 14.615 1.00 0.00 C ATOM 232 O GLU A 16 5.747 -22.467 14.343 1.00 0.00 O ATOM 233 CB GLU A 16 7.097 -23.161 16.719 1.00 0.00 C ATOM 234 CG GLU A 16 7.995 -23.249 17.955 1.00 0.00 C ATOM 235 CD GLU A 16 7.361 -24.193 18.979 1.00 0.00 C ATOM 236 OE1 GLU A 16 6.452 -24.915 18.606 1.00 0.00 O ATOM 237 OE2 GLU A 16 7.796 -24.176 20.120 1.00 0.00 O ATOM 0 H GLU A 16 5.555 -21.127 17.084 1.00 0.00 H new ATOM 0 HA GLU A 16 8.347 -21.533 15.976 1.00 0.00 H new ATOM 0 HB2 GLU A 16 6.053 -23.290 17.005 1.00 0.00 H new ATOM 0 HB3 GLU A 16 7.339 -23.964 16.022 1.00 0.00 H new ATOM 0 HG2 GLU A 16 8.984 -23.611 17.674 1.00 0.00 H new ATOM 0 HG3 GLU A 16 8.130 -22.259 18.391 1.00 0.00 H new ATOM 244 N PRO A 17 7.416 -21.120 13.750 1.00 0.00 N ATOM 245 CA PRO A 17 6.957 -21.075 12.336 1.00 0.00 C ATOM 246 C PRO A 17 6.948 -22.482 11.731 1.00 0.00 C ATOM 247 O PRO A 17 7.933 -22.939 11.186 1.00 0.00 O ATOM 248 CB PRO A 17 7.991 -20.195 11.640 1.00 0.00 C ATOM 249 CG PRO A 17 9.221 -20.318 12.475 1.00 0.00 C ATOM 250 CD PRO A 17 8.765 -20.551 13.891 1.00 0.00 C ATOM 0 HA PRO A 17 5.943 -20.690 12.233 1.00 0.00 H new ATOM 0 HB2 PRO A 17 8.171 -20.529 10.618 1.00 0.00 H new ATOM 0 HB3 PRO A 17 7.654 -19.160 11.582 1.00 0.00 H new ATOM 0 HG2 PRO A 17 9.842 -21.144 12.128 1.00 0.00 H new ATOM 0 HG3 PRO A 17 9.826 -19.414 12.408 1.00 0.00 H new ATOM 0 HD2 PRO A 17 9.432 -21.235 14.416 1.00 0.00 H new ATOM 0 HD3 PRO A 17 8.747 -19.622 14.461 1.00 0.00 H new ATOM 258 N SER A 18 5.842 -23.168 11.816 1.00 0.00 N ATOM 259 CA SER A 18 5.773 -24.541 11.240 1.00 0.00 C ATOM 260 C SER A 18 5.475 -24.468 9.740 1.00 0.00 C ATOM 261 O SER A 18 5.351 -25.475 9.071 1.00 0.00 O ATOM 262 CB SER A 18 4.625 -25.226 11.983 1.00 0.00 C ATOM 263 OG SER A 18 4.980 -25.397 13.348 1.00 0.00 O ATOM 0 H SER A 18 4.984 -22.838 12.259 1.00 0.00 H new ATOM 0 HA SER A 18 6.711 -25.085 11.352 1.00 0.00 H new ATOM 0 HB2 SER A 18 3.718 -24.627 11.904 1.00 0.00 H new ATOM 0 HB3 SER A 18 4.409 -26.193 11.528 1.00 0.00 H new ATOM 0 HG SER A 18 5.078 -24.519 13.773 1.00 0.00 H new ATOM 269 N HIS A 19 5.359 -23.281 9.207 1.00 0.00 N ATOM 270 CA HIS A 19 5.070 -23.141 7.751 1.00 0.00 C ATOM 271 C HIS A 19 5.754 -21.889 7.196 1.00 0.00 C ATOM 272 O HIS A 19 5.984 -20.929 7.905 1.00 0.00 O ATOM 273 CB HIS A 19 3.550 -23.007 7.660 1.00 0.00 C ATOM 274 CG HIS A 19 2.904 -24.257 8.191 1.00 0.00 C ATOM 275 ND1 HIS A 19 2.554 -24.400 9.524 1.00 0.00 N ATOM 276 CD2 HIS A 19 2.537 -25.431 7.580 1.00 0.00 C ATOM 277 CE1 HIS A 19 2.004 -25.620 9.670 1.00 0.00 C ATOM 278 NE2 HIS A 19 1.970 -26.289 8.516 1.00 0.00 N ATOM 0 H HIS A 19 5.452 -22.403 9.717 1.00 0.00 H new ATOM 0 HA HIS A 19 5.439 -23.988 7.172 1.00 0.00 H new ATOM 0 HB2 HIS A 19 3.216 -22.141 8.231 1.00 0.00 H new ATOM 0 HB3 HIS A 19 3.250 -22.841 6.625 1.00 0.00 H new ATOM 0 HD2 HIS A 19 2.669 -25.654 6.532 1.00 0.00 H new ATOM 0 HE1 HIS A 19 1.635 -26.010 10.607 1.00 0.00 H new ATOM 0 HE2 HIS A 19 1.606 -27.228 8.355 1.00 0.00 H new ATOM 286 N ASP A 20 6.081 -21.891 5.933 1.00 0.00 N ATOM 287 CA ASP A 20 6.750 -20.700 5.334 1.00 0.00 C ATOM 288 C ASP A 20 5.805 -19.496 5.357 1.00 0.00 C ATOM 289 O ASP A 20 4.667 -19.581 4.939 1.00 0.00 O ATOM 290 CB ASP A 20 7.065 -21.105 3.894 1.00 0.00 C ATOM 291 CG ASP A 20 7.975 -22.335 3.897 1.00 0.00 C ATOM 292 OD1 ASP A 20 8.576 -22.600 4.926 1.00 0.00 O ATOM 293 OD2 ASP A 20 8.055 -22.991 2.872 1.00 0.00 O ATOM 0 H ASP A 20 5.914 -22.665 5.290 1.00 0.00 H new ATOM 0 HA ASP A 20 7.647 -20.411 5.882 1.00 0.00 H new ATOM 0 HB2 ASP A 20 6.142 -21.323 3.356 1.00 0.00 H new ATOM 0 HB3 ASP A 20 7.551 -20.281 3.371 1.00 0.00 H new ATOM 298 N GLY A 21 6.266 -18.376 5.842 1.00 0.00 N ATOM 299 CA GLY A 21 5.393 -17.171 5.891 1.00 0.00 C ATOM 300 C GLY A 21 4.936 -16.932 7.332 1.00 0.00 C ATOM 301 O GLY A 21 4.029 -16.164 7.586 1.00 0.00 O ATOM 0 H GLY A 21 7.210 -18.244 6.206 1.00 0.00 H new ATOM 0 HA2 GLY A 21 5.935 -16.301 5.521 1.00 0.00 H new ATOM 0 HA3 GLY A 21 4.528 -17.308 5.242 1.00 0.00 H new ATOM 305 N ASP A 22 5.555 -17.585 8.276 1.00 0.00 N ATOM 306 CA ASP A 22 5.154 -17.395 9.701 1.00 0.00 C ATOM 307 C ASP A 22 6.223 -16.602 10.456 1.00 0.00 C ATOM 308 O ASP A 22 7.370 -16.549 10.059 1.00 0.00 O ATOM 309 CB ASP A 22 5.034 -18.808 10.272 1.00 0.00 C ATOM 310 CG ASP A 22 4.071 -19.627 9.411 1.00 0.00 C ATOM 311 OD1 ASP A 22 3.514 -19.066 8.482 1.00 0.00 O ATOM 312 OD2 ASP A 22 3.906 -20.802 9.697 1.00 0.00 O ATOM 0 H ASP A 22 6.321 -18.242 8.124 1.00 0.00 H new ATOM 0 HA ASP A 22 4.223 -16.836 9.793 1.00 0.00 H new ATOM 0 HB2 ASP A 22 6.013 -19.286 10.296 1.00 0.00 H new ATOM 0 HB3 ASP A 22 4.674 -18.767 11.300 1.00 0.00 H new ATOM 317 N LEU A 23 5.853 -15.987 11.546 1.00 0.00 N ATOM 318 CA LEU A 23 6.844 -15.199 12.334 1.00 0.00 C ATOM 319 C LEU A 23 7.152 -15.919 13.650 1.00 0.00 C ATOM 320 O LEU A 23 6.313 -16.021 14.521 1.00 0.00 O ATOM 321 CB LEU A 23 6.157 -13.858 12.596 1.00 0.00 C ATOM 322 CG LEU A 23 7.201 -12.815 13.002 1.00 0.00 C ATOM 323 CD1 LEU A 23 8.334 -12.798 11.974 1.00 0.00 C ATOM 324 CD2 LEU A 23 6.545 -11.434 13.057 1.00 0.00 C ATOM 0 H LEU A 23 4.906 -15.996 11.926 1.00 0.00 H new ATOM 0 HA LEU A 23 7.792 -15.072 11.812 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.628 -13.528 11.702 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.412 -13.968 13.384 1.00 0.00 H new ATOM 0 HG LEU A 23 7.604 -13.068 13.983 1.00 0.00 H new ATOM 0 HD11 LEU A 23 9.077 -12.055 12.264 1.00 0.00 H new ATOM 0 HD12 LEU A 23 8.802 -13.782 11.932 1.00 0.00 H new ATOM 0 HD13 LEU A 23 7.932 -12.545 10.993 1.00 0.00 H new ATOM 0 HD21 LEU A 23 7.287 -10.690 13.346 1.00 0.00 H new ATOM 0 HD22 LEU A 23 6.143 -11.183 12.076 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.737 -11.444 13.789 1.00 0.00 H new ATOM 336 N GLY A 24 8.348 -16.417 13.798 1.00 0.00 N ATOM 337 CA GLY A 24 8.706 -17.133 15.056 1.00 0.00 C ATOM 338 C GLY A 24 9.349 -16.157 16.042 1.00 0.00 C ATOM 339 O GLY A 24 10.402 -16.415 16.590 1.00 0.00 O ATOM 0 H GLY A 24 9.093 -16.360 13.104 1.00 0.00 H new ATOM 0 HA2 GLY A 24 7.815 -17.577 15.499 1.00 0.00 H new ATOM 0 HA3 GLY A 24 9.394 -17.950 14.837 1.00 0.00 H new ATOM 343 N PHE A 25 8.726 -15.034 16.267 1.00 0.00 N ATOM 344 CA PHE A 25 9.296 -14.031 17.212 1.00 0.00 C ATOM 345 C PHE A 25 9.597 -14.670 18.570 1.00 0.00 C ATOM 346 O PHE A 25 9.283 -15.817 18.813 1.00 0.00 O ATOM 347 CB PHE A 25 8.199 -12.973 17.360 1.00 0.00 C ATOM 348 CG PHE A 25 6.894 -13.650 17.721 1.00 0.00 C ATOM 349 CD1 PHE A 25 6.618 -13.972 19.056 1.00 0.00 C ATOM 350 CD2 PHE A 25 5.964 -13.960 16.720 1.00 0.00 C ATOM 351 CE1 PHE A 25 5.413 -14.603 19.389 1.00 0.00 C ATOM 352 CE2 PHE A 25 4.761 -14.593 17.053 1.00 0.00 C ATOM 353 CZ PHE A 25 4.484 -14.913 18.387 1.00 0.00 C ATOM 0 H PHE A 25 7.842 -14.766 15.835 1.00 0.00 H new ATOM 0 HA PHE A 25 10.235 -13.615 16.847 1.00 0.00 H new ATOM 0 HB2 PHE A 25 8.474 -12.254 18.131 1.00 0.00 H new ATOM 0 HB3 PHE A 25 8.087 -12.416 16.430 1.00 0.00 H new ATOM 0 HD1 PHE A 25 7.334 -13.734 19.828 1.00 0.00 H new ATOM 0 HD2 PHE A 25 6.176 -13.710 15.691 1.00 0.00 H new ATOM 0 HE1 PHE A 25 5.200 -14.851 20.418 1.00 0.00 H new ATOM 0 HE2 PHE A 25 4.046 -14.835 16.280 1.00 0.00 H new ATOM 0 HZ PHE A 25 3.554 -15.399 18.644 1.00 0.00 H new ATOM 363 N GLU A 26 10.205 -13.927 19.456 1.00 0.00 N ATOM 364 CA GLU A 26 10.530 -14.473 20.803 1.00 0.00 C ATOM 365 C GLU A 26 9.636 -13.816 21.863 1.00 0.00 C ATOM 366 O GLU A 26 8.829 -12.955 21.562 1.00 0.00 O ATOM 367 CB GLU A 26 11.996 -14.110 21.036 1.00 0.00 C ATOM 368 CG GLU A 26 12.849 -14.681 19.902 1.00 0.00 C ATOM 369 CD GLU A 26 14.317 -14.317 20.135 1.00 0.00 C ATOM 370 OE1 GLU A 26 14.570 -13.473 20.978 1.00 0.00 O ATOM 371 OE2 GLU A 26 15.161 -14.888 19.466 1.00 0.00 O ATOM 0 H GLU A 26 10.491 -12.960 19.302 1.00 0.00 H new ATOM 0 HA GLU A 26 10.365 -15.549 20.867 1.00 0.00 H new ATOM 0 HB2 GLU A 26 12.111 -13.027 21.082 1.00 0.00 H new ATOM 0 HB3 GLU A 26 12.332 -14.507 21.994 1.00 0.00 H new ATOM 0 HG2 GLU A 26 12.735 -15.764 19.856 1.00 0.00 H new ATOM 0 HG3 GLU A 26 12.512 -14.284 18.944 1.00 0.00 H new ATOM 378 N LYS A 27 9.777 -14.204 23.101 1.00 0.00 N ATOM 379 CA LYS A 27 8.936 -13.597 24.172 1.00 0.00 C ATOM 380 C LYS A 27 9.321 -12.131 24.382 1.00 0.00 C ATOM 381 O LYS A 27 10.482 -11.772 24.348 1.00 0.00 O ATOM 382 CB LYS A 27 9.238 -14.418 25.425 1.00 0.00 C ATOM 383 CG LYS A 27 8.412 -13.883 26.597 1.00 0.00 C ATOM 384 CD LYS A 27 8.324 -14.952 27.686 1.00 0.00 C ATOM 385 CE LYS A 27 7.379 -14.477 28.792 1.00 0.00 C ATOM 386 NZ LYS A 27 8.276 -14.062 29.908 1.00 0.00 N ATOM 0 H LYS A 27 10.437 -14.914 23.417 1.00 0.00 H new ATOM 0 HA LYS A 27 7.875 -13.611 23.922 1.00 0.00 H new ATOM 0 HB2 LYS A 27 9.003 -15.468 25.250 1.00 0.00 H new ATOM 0 HB3 LYS A 27 10.301 -14.364 25.661 1.00 0.00 H new ATOM 0 HG2 LYS A 27 8.870 -12.978 26.996 1.00 0.00 H new ATOM 0 HG3 LYS A 27 7.413 -13.611 26.258 1.00 0.00 H new ATOM 0 HD2 LYS A 27 7.963 -15.889 27.262 1.00 0.00 H new ATOM 0 HD3 LYS A 27 9.314 -15.149 28.098 1.00 0.00 H new ATOM 0 HE2 LYS A 27 6.759 -13.647 28.453 1.00 0.00 H new ATOM 0 HE3 LYS A 27 6.703 -15.273 29.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 7.703 -13.723 30.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 8.849 -14.875 30.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 8.903 -13.299 29.584 1.00 0.00 H new ATOM 400 N GLY A 28 8.355 -11.282 24.600 1.00 0.00 N ATOM 401 CA GLY A 28 8.662 -9.841 24.813 1.00 0.00 C ATOM 402 C GLY A 28 8.774 -9.138 23.459 1.00 0.00 C ATOM 403 O GLY A 28 8.766 -7.925 23.380 1.00 0.00 O ATOM 0 H GLY A 28 7.365 -11.525 24.640 1.00 0.00 H new ATOM 0 HA2 GLY A 28 7.879 -9.376 25.412 1.00 0.00 H new ATOM 0 HA3 GLY A 28 9.594 -9.735 25.368 1.00 0.00 H new ATOM 407 N GLU A 29 8.882 -9.884 22.393 1.00 0.00 N ATOM 408 CA GLU A 29 9.000 -9.244 21.052 1.00 0.00 C ATOM 409 C GLU A 29 7.710 -8.499 20.702 1.00 0.00 C ATOM 410 O GLU A 29 6.630 -9.055 20.742 1.00 0.00 O ATOM 411 CB GLU A 29 9.237 -10.399 20.080 1.00 0.00 C ATOM 412 CG GLU A 29 10.708 -10.814 20.135 1.00 0.00 C ATOM 413 CD GLU A 29 11.271 -10.884 18.714 1.00 0.00 C ATOM 414 OE1 GLU A 29 10.485 -10.822 17.784 1.00 0.00 O ATOM 415 OE2 GLU A 29 12.478 -11.001 18.581 1.00 0.00 O ATOM 0 H GLU A 29 8.894 -10.904 22.392 1.00 0.00 H new ATOM 0 HA GLU A 29 9.806 -8.511 21.015 1.00 0.00 H new ATOM 0 HB2 GLU A 29 8.599 -11.244 20.339 1.00 0.00 H new ATOM 0 HB3 GLU A 29 8.970 -10.097 19.067 1.00 0.00 H new ATOM 0 HG2 GLU A 29 11.277 -10.098 20.728 1.00 0.00 H new ATOM 0 HG3 GLU A 29 10.806 -11.783 20.625 1.00 0.00 H new ATOM 422 N GLN A 30 7.814 -7.245 20.358 1.00 0.00 N ATOM 423 CA GLN A 30 6.594 -6.465 20.003 1.00 0.00 C ATOM 424 C GLN A 30 6.171 -6.782 18.568 1.00 0.00 C ATOM 425 O GLN A 30 6.989 -6.858 17.672 1.00 0.00 O ATOM 426 CB GLN A 30 7.010 -4.998 20.131 1.00 0.00 C ATOM 427 CG GLN A 30 7.944 -4.629 18.976 1.00 0.00 C ATOM 428 CD GLN A 30 8.322 -3.151 19.078 1.00 0.00 C ATOM 429 OE1 GLN A 30 9.297 -2.804 19.714 1.00 0.00 O ATOM 430 NE2 GLN A 30 7.586 -2.257 18.474 1.00 0.00 N ATOM 0 H GLN A 30 8.691 -6.726 20.307 1.00 0.00 H new ATOM 0 HA GLN A 30 5.746 -6.703 20.646 1.00 0.00 H new ATOM 0 HB2 GLN A 30 6.129 -4.357 20.119 1.00 0.00 H new ATOM 0 HB3 GLN A 30 7.511 -4.833 21.085 1.00 0.00 H new ATOM 0 HG2 GLN A 30 8.841 -5.248 19.008 1.00 0.00 H new ATOM 0 HG3 GLN A 30 7.455 -4.825 18.022 1.00 0.00 H new ATOM 0 HE21 GLN A 30 6.767 -2.547 17.940 1.00 0.00 H new ATOM 0 HE22 GLN A 30 7.830 -1.269 18.537 1.00 0.00 H new ATOM 439 N LEU A 31 4.902 -6.975 18.341 1.00 0.00 N ATOM 440 CA LEU A 31 4.433 -7.293 16.963 1.00 0.00 C ATOM 441 C LEU A 31 3.151 -6.522 16.641 1.00 0.00 C ATOM 442 O LEU A 31 2.433 -6.093 17.522 1.00 0.00 O ATOM 443 CB LEU A 31 4.159 -8.798 16.979 1.00 0.00 C ATOM 444 CG LEU A 31 5.468 -9.560 16.755 1.00 0.00 C ATOM 445 CD1 LEU A 31 6.295 -9.540 18.041 1.00 0.00 C ATOM 446 CD2 LEU A 31 5.155 -11.009 16.374 1.00 0.00 C ATOM 0 H LEU A 31 4.169 -6.926 19.049 1.00 0.00 H new ATOM 0 HA LEU A 31 5.166 -7.015 16.206 1.00 0.00 H new ATOM 0 HB2 LEU A 31 3.716 -9.087 17.932 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.439 -9.055 16.202 1.00 0.00 H new ATOM 0 HG LEU A 31 6.032 -9.086 15.952 1.00 0.00 H new ATOM 0 HD11 LEU A 31 7.227 -10.082 17.883 1.00 0.00 H new ATOM 0 HD12 LEU A 31 6.517 -8.509 18.315 1.00 0.00 H new ATOM 0 HD13 LEU A 31 5.731 -10.015 18.844 1.00 0.00 H new ATOM 0 HD21 LEU A 31 6.086 -11.552 16.214 1.00 0.00 H new ATOM 0 HD22 LEU A 31 4.592 -11.483 17.178 1.00 0.00 H new ATOM 0 HD23 LEU A 31 4.564 -11.025 15.458 1.00 0.00 H new ATOM 458 N ARG A 32 2.855 -6.356 15.382 1.00 0.00 N ATOM 459 CA ARG A 32 1.616 -5.626 14.992 1.00 0.00 C ATOM 460 C ARG A 32 0.579 -6.627 14.477 1.00 0.00 C ATOM 461 O ARG A 32 0.883 -7.477 13.669 1.00 0.00 O ATOM 462 CB ARG A 32 2.054 -4.671 13.877 1.00 0.00 C ATOM 463 CG ARG A 32 0.839 -4.256 13.045 1.00 0.00 C ATOM 464 CD ARG A 32 -0.197 -3.590 13.953 1.00 0.00 C ATOM 465 NE ARG A 32 -1.047 -2.781 13.035 1.00 0.00 N ATOM 466 CZ ARG A 32 -0.892 -1.487 12.975 1.00 0.00 C ATOM 467 NH1 ARG A 32 0.308 -0.972 12.991 1.00 0.00 N ATOM 468 NH2 ARG A 32 -1.936 -0.707 12.901 1.00 0.00 N ATOM 0 H ARG A 32 3.420 -6.696 14.604 1.00 0.00 H new ATOM 0 HA ARG A 32 1.161 -5.087 15.823 1.00 0.00 H new ATOM 0 HB2 ARG A 32 2.531 -3.790 14.306 1.00 0.00 H new ATOM 0 HB3 ARG A 32 2.794 -5.155 13.240 1.00 0.00 H new ATOM 0 HG2 ARG A 32 1.143 -3.568 12.256 1.00 0.00 H new ATOM 0 HG3 ARG A 32 0.404 -5.128 12.557 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -0.789 -4.333 14.488 1.00 0.00 H new ATOM 0 HD3 ARG A 32 0.282 -2.962 14.705 1.00 0.00 H new ATOM 0 HE ARG A 32 -1.750 -3.238 12.454 1.00 0.00 H new ATOM 0 HH11 ARG A 32 1.124 -1.581 13.050 1.00 0.00 H new ATOM 0 HH12 ARG A 32 0.429 0.040 12.944 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -2.873 -1.109 12.890 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -1.814 0.305 12.854 1.00 0.00 H new ATOM 482 N ILE A 33 -0.638 -6.540 14.937 1.00 0.00 N ATOM 483 CA ILE A 33 -1.678 -7.501 14.466 1.00 0.00 C ATOM 484 C ILE A 33 -2.406 -6.946 13.239 1.00 0.00 C ATOM 485 O ILE A 33 -3.361 -6.204 13.353 1.00 0.00 O ATOM 486 CB ILE A 33 -2.644 -7.647 15.642 1.00 0.00 C ATOM 487 CG1 ILE A 33 -1.880 -8.142 16.872 1.00 0.00 C ATOM 488 CG2 ILE A 33 -3.737 -8.654 15.279 1.00 0.00 C ATOM 489 CD1 ILE A 33 -2.870 -8.468 17.992 1.00 0.00 C ATOM 0 H ILE A 33 -0.958 -5.849 15.616 1.00 0.00 H new ATOM 0 HA ILE A 33 -1.247 -8.457 14.169 1.00 0.00 H new ATOM 0 HB ILE A 33 -3.098 -6.681 15.863 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -1.297 -9.027 16.619 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -1.175 -7.381 17.206 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -4.427 -8.760 16.116 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -4.281 -8.301 14.403 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -3.283 -9.620 15.059 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -2.325 -8.821 18.868 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -3.434 -7.572 18.252 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -3.557 -9.244 17.656 1.00 0.00 H new ATOM 501 N LEU A 34 -1.954 -7.296 12.066 1.00 0.00 N ATOM 502 CA LEU A 34 -2.611 -6.784 10.830 1.00 0.00 C ATOM 503 C LEU A 34 -3.887 -7.578 10.521 1.00 0.00 C ATOM 504 O LEU A 34 -4.823 -7.057 9.947 1.00 0.00 O ATOM 505 CB LEU A 34 -1.576 -6.982 9.723 1.00 0.00 C ATOM 506 CG LEU A 34 -0.270 -6.288 10.116 1.00 0.00 C ATOM 507 CD1 LEU A 34 0.755 -6.455 8.993 1.00 0.00 C ATOM 508 CD2 LEU A 34 -0.534 -4.799 10.348 1.00 0.00 C ATOM 0 H LEU A 34 -1.158 -7.914 11.910 1.00 0.00 H new ATOM 0 HA LEU A 34 -2.912 -5.741 10.931 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.401 -8.045 9.560 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.949 -6.573 8.784 1.00 0.00 H new ATOM 0 HG LEU A 34 0.118 -6.736 11.031 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.685 -5.961 9.273 1.00 0.00 H new ATOM 0 HD12 LEU A 34 0.943 -7.516 8.827 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.368 -6.008 8.077 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.396 -4.304 10.628 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.922 -4.351 9.433 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -1.264 -4.679 11.148 1.00 0.00 H new ATOM 520 N GLU A 35 -3.938 -8.830 10.890 1.00 0.00 N ATOM 521 CA GLU A 35 -5.161 -9.634 10.602 1.00 0.00 C ATOM 522 C GLU A 35 -5.624 -10.372 11.862 1.00 0.00 C ATOM 523 O GLU A 35 -4.828 -10.879 12.625 1.00 0.00 O ATOM 524 CB GLU A 35 -4.738 -10.629 9.522 1.00 0.00 C ATOM 525 CG GLU A 35 -5.968 -11.387 9.017 1.00 0.00 C ATOM 526 CD GLU A 35 -5.537 -12.428 7.983 1.00 0.00 C ATOM 527 OE1 GLU A 35 -4.344 -12.553 7.758 1.00 0.00 O ATOM 528 OE2 GLU A 35 -6.406 -13.084 7.433 1.00 0.00 O ATOM 0 H GLU A 35 -3.191 -9.328 11.375 1.00 0.00 H new ATOM 0 HA GLU A 35 -5.995 -9.011 10.278 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -4.257 -10.104 8.697 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -4.006 -11.329 9.924 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -6.475 -11.874 9.850 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -6.680 -10.691 8.573 1.00 0.00 H new ATOM 535 N GLN A 36 -6.910 -10.438 12.080 1.00 0.00 N ATOM 536 CA GLN A 36 -7.427 -11.145 13.287 1.00 0.00 C ATOM 537 C GLN A 36 -8.599 -12.052 12.904 1.00 0.00 C ATOM 538 O GLN A 36 -9.677 -11.959 13.458 1.00 0.00 O ATOM 539 CB GLN A 36 -7.892 -10.035 14.230 1.00 0.00 C ATOM 540 CG GLN A 36 -6.740 -9.059 14.475 1.00 0.00 C ATOM 541 CD GLN A 36 -7.277 -7.794 15.148 1.00 0.00 C ATOM 542 OE1 GLN A 36 -8.412 -7.416 14.939 1.00 0.00 O ATOM 543 NE2 GLN A 36 -6.503 -7.120 15.953 1.00 0.00 N ATOM 0 H GLN A 36 -7.624 -10.033 11.475 1.00 0.00 H new ATOM 0 HA GLN A 36 -6.671 -11.780 13.750 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -8.743 -9.509 13.798 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -8.228 -10.463 15.175 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -5.982 -9.525 15.105 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -6.258 -8.805 13.531 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -5.550 -7.437 16.129 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -6.851 -6.275 16.407 1.00 0.00 H new ATOM 552 N SER A 37 -8.396 -12.928 11.960 1.00 0.00 N ATOM 553 CA SER A 37 -9.497 -13.841 11.538 1.00 0.00 C ATOM 554 C SER A 37 -9.089 -15.300 11.764 1.00 0.00 C ATOM 555 O SER A 37 -7.930 -15.653 11.666 1.00 0.00 O ATOM 556 CB SER A 37 -9.692 -13.564 10.048 1.00 0.00 C ATOM 557 OG SER A 37 -10.038 -12.200 9.862 1.00 0.00 O ATOM 0 H SER A 37 -7.515 -13.052 11.461 1.00 0.00 H new ATOM 0 HA SER A 37 -10.412 -13.675 12.106 1.00 0.00 H new ATOM 0 HB2 SER A 37 -8.778 -13.796 9.501 1.00 0.00 H new ATOM 0 HB3 SER A 37 -10.475 -14.207 9.647 1.00 0.00 H new ATOM 0 HG SER A 37 -10.162 -12.021 8.906 1.00 0.00 H new ATOM 563 N GLY A 38 -10.031 -16.149 12.066 1.00 0.00 N ATOM 564 CA GLY A 38 -9.696 -17.582 12.298 1.00 0.00 C ATOM 565 C GLY A 38 -8.897 -17.714 13.595 1.00 0.00 C ATOM 566 O GLY A 38 -8.657 -16.745 14.289 1.00 0.00 O ATOM 0 H GLY A 38 -11.019 -15.913 12.162 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -10.609 -18.175 12.358 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -9.117 -17.972 11.460 1.00 0.00 H new ATOM 570 N GLU A 39 -8.482 -18.904 13.931 1.00 0.00 N ATOM 571 CA GLU A 39 -7.698 -19.094 15.185 1.00 0.00 C ATOM 572 C GLU A 39 -6.313 -18.457 15.048 1.00 0.00 C ATOM 573 O GLU A 39 -5.724 -18.014 16.014 1.00 0.00 O ATOM 574 CB GLU A 39 -7.575 -20.609 15.350 1.00 0.00 C ATOM 575 CG GLU A 39 -8.971 -21.237 15.363 1.00 0.00 C ATOM 576 CD GLU A 39 -8.849 -22.744 15.596 1.00 0.00 C ATOM 577 OE1 GLU A 39 -7.756 -23.261 15.435 1.00 0.00 O ATOM 578 OE2 GLU A 39 -9.851 -23.354 15.931 1.00 0.00 O ATOM 0 H GLU A 39 -8.651 -19.753 13.392 1.00 0.00 H new ATOM 0 HA GLU A 39 -8.178 -18.627 16.045 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -6.984 -21.027 14.535 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -7.051 -20.843 16.277 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -9.578 -20.785 16.147 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -9.477 -21.044 14.417 1.00 0.00 H new ATOM 585 N TRP A 40 -5.785 -18.411 13.855 1.00 0.00 N ATOM 586 CA TRP A 40 -4.437 -17.806 13.659 1.00 0.00 C ATOM 587 C TRP A 40 -4.567 -16.365 13.162 1.00 0.00 C ATOM 588 O TRP A 40 -5.451 -16.039 12.396 1.00 0.00 O ATOM 589 CB TRP A 40 -3.762 -18.677 12.600 1.00 0.00 C ATOM 590 CG TRP A 40 -3.528 -20.046 13.153 1.00 0.00 C ATOM 591 CD1 TRP A 40 -4.290 -21.131 12.888 1.00 0.00 C ATOM 592 CD2 TRP A 40 -2.476 -20.494 14.057 1.00 0.00 C ATOM 593 NE1 TRP A 40 -3.773 -22.218 13.570 1.00 0.00 N ATOM 594 CE2 TRP A 40 -2.655 -21.876 14.305 1.00 0.00 C ATOM 595 CE3 TRP A 40 -1.396 -19.844 14.678 1.00 0.00 C ATOM 596 CZ2 TRP A 40 -1.792 -22.586 15.141 1.00 0.00 C ATOM 597 CZ3 TRP A 40 -0.525 -20.555 15.520 1.00 0.00 C ATOM 598 CH2 TRP A 40 -0.723 -21.924 15.750 1.00 0.00 C ATOM 0 H TRP A 40 -6.229 -18.766 13.008 1.00 0.00 H new ATOM 0 HA TRP A 40 -3.864 -17.771 14.586 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -4.388 -18.735 11.709 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -2.816 -18.230 12.296 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -5.160 -21.147 12.248 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -4.169 -23.157 13.534 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -1.234 -18.790 14.507 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -1.949 -23.640 15.316 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 0.301 -20.045 15.993 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -0.050 -22.466 16.397 1.00 0.00 H new ATOM 609 N TRP A 41 -3.687 -15.501 13.591 1.00 0.00 N ATOM 610 CA TRP A 41 -3.755 -14.080 13.143 1.00 0.00 C ATOM 611 C TRP A 41 -2.455 -13.686 12.438 1.00 0.00 C ATOM 612 O TRP A 41 -1.411 -14.264 12.669 1.00 0.00 O ATOM 613 CB TRP A 41 -3.930 -13.269 14.426 1.00 0.00 C ATOM 614 CG TRP A 41 -5.315 -13.459 14.957 1.00 0.00 C ATOM 615 CD1 TRP A 41 -6.352 -13.982 14.263 1.00 0.00 C ATOM 616 CD2 TRP A 41 -5.831 -13.136 16.281 1.00 0.00 C ATOM 617 NE1 TRP A 41 -7.470 -14.002 15.076 1.00 0.00 N ATOM 618 CE2 TRP A 41 -7.200 -13.490 16.330 1.00 0.00 C ATOM 619 CE3 TRP A 41 -5.250 -12.575 17.432 1.00 0.00 C ATOM 620 CZ2 TRP A 41 -7.965 -13.296 17.480 1.00 0.00 C ATOM 621 CZ3 TRP A 41 -6.016 -12.377 18.592 1.00 0.00 C ATOM 622 CH2 TRP A 41 -7.372 -12.737 18.616 1.00 0.00 C ATOM 0 H TRP A 41 -2.924 -15.718 14.232 1.00 0.00 H new ATOM 0 HA TRP A 41 -4.567 -13.909 12.436 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -3.198 -13.585 15.170 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -3.748 -12.213 14.228 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -6.313 -14.328 13.241 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -8.383 -14.352 14.785 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -4.207 -12.294 17.424 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -9.008 -13.576 17.493 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -5.559 -11.945 19.470 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -7.957 -12.582 19.511 1.00 0.00 H new ATOM 633 N LYS A 42 -2.508 -12.698 11.588 1.00 0.00 N ATOM 634 CA LYS A 42 -1.273 -12.259 10.879 1.00 0.00 C ATOM 635 C LYS A 42 -0.724 -11.000 11.551 1.00 0.00 C ATOM 636 O LYS A 42 -1.471 -10.157 12.007 1.00 0.00 O ATOM 637 CB LYS A 42 -1.721 -11.956 9.449 1.00 0.00 C ATOM 638 CG LYS A 42 -0.499 -11.926 8.529 1.00 0.00 C ATOM 639 CD LYS A 42 -0.934 -11.532 7.116 1.00 0.00 C ATOM 640 CE LYS A 42 0.291 -11.481 6.201 1.00 0.00 C ATOM 641 NZ LYS A 42 -0.225 -10.968 4.901 1.00 0.00 N ATOM 0 H LYS A 42 -3.352 -12.176 11.354 1.00 0.00 H new ATOM 0 HA LYS A 42 -0.484 -13.011 10.900 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -2.427 -12.714 9.109 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -2.240 -10.998 9.414 1.00 0.00 H new ATOM 0 HG2 LYS A 42 0.236 -11.215 8.906 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -0.018 -12.904 8.514 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -1.658 -12.251 6.733 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -1.429 -10.561 7.134 1.00 0.00 H new ATOM 0 HE2 LYS A 42 1.061 -10.825 6.607 1.00 0.00 H new ATOM 0 HE3 LYS A 42 0.740 -12.467 6.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 0.557 -10.904 4.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -0.952 -11.616 4.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -0.641 -10.025 5.040 1.00 0.00 H new ATOM 655 N ALA A 43 0.571 -10.863 11.628 1.00 0.00 N ATOM 656 CA ALA A 43 1.138 -9.653 12.288 1.00 0.00 C ATOM 657 C ALA A 43 2.535 -9.341 11.746 1.00 0.00 C ATOM 658 O ALA A 43 3.056 -10.032 10.894 1.00 0.00 O ATOM 659 CB ALA A 43 1.213 -10.016 13.770 1.00 0.00 C ATOM 0 H ALA A 43 1.255 -11.528 11.267 1.00 0.00 H new ATOM 0 HA ALA A 43 0.529 -8.767 12.107 1.00 0.00 H new ATOM 0 HB1 ALA A 43 1.622 -9.175 14.330 1.00 0.00 H new ATOM 0 HB2 ALA A 43 0.214 -10.246 14.139 1.00 0.00 H new ATOM 0 HB3 ALA A 43 1.857 -10.886 13.899 1.00 0.00 H new ATOM 665 N GLN A 44 3.147 -8.300 12.246 1.00 0.00 N ATOM 666 CA GLN A 44 4.514 -7.931 11.779 1.00 0.00 C ATOM 667 C GLN A 44 5.352 -7.449 12.966 1.00 0.00 C ATOM 668 O GLN A 44 4.834 -6.900 13.919 1.00 0.00 O ATOM 669 CB GLN A 44 4.299 -6.799 10.776 1.00 0.00 C ATOM 670 CG GLN A 44 5.655 -6.293 10.279 1.00 0.00 C ATOM 671 CD GLN A 44 5.453 -5.021 9.452 1.00 0.00 C ATOM 672 OE1 GLN A 44 4.880 -4.059 9.925 1.00 0.00 O ATOM 673 NE2 GLN A 44 5.904 -4.974 8.228 1.00 0.00 N ATOM 0 H GLN A 44 2.756 -7.687 12.961 1.00 0.00 H new ATOM 0 HA GLN A 44 5.044 -8.771 11.330 1.00 0.00 H new ATOM 0 HB2 GLN A 44 3.700 -7.152 9.936 1.00 0.00 H new ATOM 0 HB3 GLN A 44 3.744 -5.985 11.243 1.00 0.00 H new ATOM 0 HG2 GLN A 44 6.311 -6.089 11.125 1.00 0.00 H new ATOM 0 HG3 GLN A 44 6.142 -7.059 9.675 1.00 0.00 H new ATOM 0 HE21 GLN A 44 6.385 -5.781 7.830 1.00 0.00 H new ATOM 0 HE22 GLN A 44 5.776 -4.130 7.669 1.00 0.00 H new ATOM 682 N SER A 45 6.642 -7.649 12.923 1.00 0.00 N ATOM 683 CA SER A 45 7.499 -7.199 14.058 1.00 0.00 C ATOM 684 C SER A 45 8.189 -5.877 13.711 1.00 0.00 C ATOM 685 O SER A 45 8.882 -5.769 12.720 1.00 0.00 O ATOM 686 CB SER A 45 8.531 -8.312 14.240 1.00 0.00 C ATOM 687 OG SER A 45 9.267 -8.085 15.432 1.00 0.00 O ATOM 0 H SER A 45 7.138 -8.102 12.155 1.00 0.00 H new ATOM 0 HA SER A 45 6.922 -7.025 14.966 1.00 0.00 H new ATOM 0 HB2 SER A 45 8.033 -9.280 14.287 1.00 0.00 H new ATOM 0 HB3 SER A 45 9.205 -8.341 13.384 1.00 0.00 H new ATOM 0 HG SER A 45 9.927 -8.799 15.550 1.00 0.00 H new ATOM 693 N LEU A 46 8.005 -4.872 14.523 1.00 0.00 N ATOM 694 CA LEU A 46 8.651 -3.559 14.241 1.00 0.00 C ATOM 695 C LEU A 46 10.110 -3.582 14.703 1.00 0.00 C ATOM 696 O LEU A 46 10.798 -2.580 14.671 1.00 0.00 O ATOM 697 CB LEU A 46 7.848 -2.538 15.048 1.00 0.00 C ATOM 698 CG LEU A 46 6.361 -2.690 14.725 1.00 0.00 C ATOM 699 CD1 LEU A 46 5.557 -1.669 15.534 1.00 0.00 C ATOM 700 CD2 LEU A 46 6.136 -2.449 13.231 1.00 0.00 C ATOM 0 H LEU A 46 7.436 -4.903 15.369 1.00 0.00 H new ATOM 0 HA LEU A 46 8.657 -3.321 13.177 1.00 0.00 H new ATOM 0 HB2 LEU A 46 8.017 -2.687 16.114 1.00 0.00 H new ATOM 0 HB3 LEU A 46 8.181 -1.528 14.811 1.00 0.00 H new ATOM 0 HG LEU A 46 6.034 -3.697 14.983 1.00 0.00 H new ATOM 0 HD11 LEU A 46 4.497 -1.776 15.304 1.00 0.00 H new ATOM 0 HD12 LEU A 46 5.717 -1.841 16.598 1.00 0.00 H new ATOM 0 HD13 LEU A 46 5.884 -0.662 15.276 1.00 0.00 H new ATOM 0 HD21 LEU A 46 5.076 -2.557 13.001 1.00 0.00 H new ATOM 0 HD22 LEU A 46 6.463 -1.442 12.972 1.00 0.00 H new ATOM 0 HD23 LEU A 46 6.709 -3.176 12.655 1.00 0.00 H new ATOM 712 N THR A 47 10.587 -4.718 15.130 1.00 0.00 N ATOM 713 CA THR A 47 12.001 -4.806 15.592 1.00 0.00 C ATOM 714 C THR A 47 12.913 -5.191 14.423 1.00 0.00 C ATOM 715 O THR A 47 14.035 -4.739 14.324 1.00 0.00 O ATOM 716 CB THR A 47 12.006 -5.903 16.658 1.00 0.00 C ATOM 717 OG1 THR A 47 11.099 -5.554 17.695 1.00 0.00 O ATOM 718 CG2 THR A 47 13.414 -6.049 17.236 1.00 0.00 C ATOM 0 H THR A 47 10.059 -5.589 15.179 1.00 0.00 H new ATOM 0 HA THR A 47 12.366 -3.857 15.985 1.00 0.00 H new ATOM 0 HB THR A 47 11.701 -6.849 16.210 1.00 0.00 H new ATOM 0 HG1 THR A 47 11.098 -6.256 18.379 1.00 0.00 H new ATOM 0 HG21 THR A 47 13.416 -6.831 17.995 1.00 0.00 H new ATOM 0 HG22 THR A 47 14.109 -6.315 16.439 1.00 0.00 H new ATOM 0 HG23 THR A 47 13.722 -5.105 17.686 1.00 0.00 H new ATOM 726 N THR A 48 12.436 -6.022 13.537 1.00 0.00 N ATOM 727 CA THR A 48 13.275 -6.433 12.376 1.00 0.00 C ATOM 728 C THR A 48 12.514 -6.199 11.068 1.00 0.00 C ATOM 729 O THR A 48 13.035 -6.407 9.990 1.00 0.00 O ATOM 730 CB THR A 48 13.540 -7.925 12.585 1.00 0.00 C ATOM 731 OG1 THR A 48 12.304 -8.627 12.590 1.00 0.00 O ATOM 732 CG2 THR A 48 14.254 -8.136 13.921 1.00 0.00 C ATOM 0 H THR A 48 11.503 -6.433 13.567 1.00 0.00 H new ATOM 0 HA THR A 48 14.201 -5.862 12.312 1.00 0.00 H new ATOM 0 HB THR A 48 14.168 -8.300 11.777 1.00 0.00 H new ATOM 0 HG1 THR A 48 12.472 -9.583 12.722 1.00 0.00 H new ATOM 0 HG21 THR A 48 14.442 -9.199 14.069 1.00 0.00 H new ATOM 0 HG22 THR A 48 15.201 -7.597 13.916 1.00 0.00 H new ATOM 0 HG23 THR A 48 13.628 -7.762 14.731 1.00 0.00 H new ATOM 740 N GLY A 49 11.284 -5.769 11.155 1.00 0.00 N ATOM 741 CA GLY A 49 10.492 -5.525 9.917 1.00 0.00 C ATOM 742 C GLY A 49 10.095 -6.866 9.298 1.00 0.00 C ATOM 743 O GLY A 49 10.036 -7.012 8.093 1.00 0.00 O ATOM 0 H GLY A 49 10.795 -5.577 12.029 1.00 0.00 H new ATOM 0 HA2 GLY A 49 9.601 -4.941 10.150 1.00 0.00 H new ATOM 0 HA3 GLY A 49 11.078 -4.942 9.206 1.00 0.00 H new ATOM 747 N GLN A 50 9.823 -7.847 10.113 1.00 0.00 N ATOM 748 CA GLN A 50 9.432 -9.180 9.574 1.00 0.00 C ATOM 749 C GLN A 50 7.926 -9.400 9.743 1.00 0.00 C ATOM 750 O GLN A 50 7.345 -9.035 10.746 1.00 0.00 O ATOM 751 CB GLN A 50 10.219 -10.189 10.412 1.00 0.00 C ATOM 752 CG GLN A 50 10.012 -11.596 9.847 1.00 0.00 C ATOM 753 CD GLN A 50 10.830 -12.596 10.665 1.00 0.00 C ATOM 754 OE1 GLN A 50 11.629 -12.211 11.495 1.00 0.00 O ATOM 755 NE2 GLN A 50 10.663 -13.875 10.465 1.00 0.00 N ATOM 0 H GLN A 50 9.855 -7.783 11.131 1.00 0.00 H new ATOM 0 HA GLN A 50 9.648 -9.275 8.510 1.00 0.00 H new ATOM 0 HB2 GLN A 50 11.279 -9.935 10.405 1.00 0.00 H new ATOM 0 HB3 GLN A 50 9.889 -10.151 11.450 1.00 0.00 H new ATOM 0 HG2 GLN A 50 8.955 -11.861 9.879 1.00 0.00 H new ATOM 0 HG3 GLN A 50 10.317 -11.629 8.801 1.00 0.00 H new ATOM 0 HE21 GLN A 50 9.992 -14.199 9.768 1.00 0.00 H new ATOM 0 HE22 GLN A 50 11.203 -14.551 11.006 1.00 0.00 H new ATOM 764 N GLU A 51 7.291 -9.993 8.771 1.00 0.00 N ATOM 765 CA GLU A 51 5.823 -10.236 8.877 1.00 0.00 C ATOM 766 C GLU A 51 5.530 -11.736 8.808 1.00 0.00 C ATOM 767 O GLU A 51 6.124 -12.459 8.032 1.00 0.00 O ATOM 768 CB GLU A 51 5.214 -9.514 7.673 1.00 0.00 C ATOM 769 CG GLU A 51 3.690 -9.507 7.801 1.00 0.00 C ATOM 770 CD GLU A 51 3.082 -8.767 6.608 1.00 0.00 C ATOM 771 OE1 GLU A 51 3.842 -8.279 5.788 1.00 0.00 O ATOM 772 OE2 GLU A 51 1.865 -8.700 6.535 1.00 0.00 O ATOM 0 H GLU A 51 7.724 -10.320 7.907 1.00 0.00 H new ATOM 0 HA GLU A 51 5.411 -9.875 9.819 1.00 0.00 H new ATOM 0 HB2 GLU A 51 5.590 -8.492 7.620 1.00 0.00 H new ATOM 0 HB3 GLU A 51 5.510 -10.011 6.749 1.00 0.00 H new ATOM 0 HG2 GLU A 51 3.313 -10.529 7.839 1.00 0.00 H new ATOM 0 HG3 GLU A 51 3.395 -9.023 8.732 1.00 0.00 H new ATOM 779 N GLY A 52 4.622 -12.213 9.614 1.00 0.00 N ATOM 780 CA GLY A 52 4.297 -13.667 9.590 1.00 0.00 C ATOM 781 C GLY A 52 3.059 -13.931 10.450 1.00 0.00 C ATOM 782 O GLY A 52 2.671 -13.118 11.265 1.00 0.00 O ATOM 0 H GLY A 52 4.092 -11.660 10.287 1.00 0.00 H new ATOM 0 HA2 GLY A 52 4.117 -13.993 8.566 1.00 0.00 H new ATOM 0 HA3 GLY A 52 5.142 -14.245 9.964 1.00 0.00 H new ATOM 786 N PHE A 53 2.440 -15.068 10.278 1.00 0.00 N ATOM 787 CA PHE A 53 1.230 -15.390 11.089 1.00 0.00 C ATOM 788 C PHE A 53 1.625 -15.623 12.548 1.00 0.00 C ATOM 789 O PHE A 53 2.655 -16.202 12.837 1.00 0.00 O ATOM 790 CB PHE A 53 0.670 -16.671 10.472 1.00 0.00 C ATOM 791 CG PHE A 53 0.179 -16.384 9.073 1.00 0.00 C ATOM 792 CD1 PHE A 53 -1.076 -15.794 8.880 1.00 0.00 C ATOM 793 CD2 PHE A 53 0.979 -16.706 7.971 1.00 0.00 C ATOM 794 CE1 PHE A 53 -1.531 -15.527 7.583 1.00 0.00 C ATOM 795 CE2 PHE A 53 0.524 -16.439 6.675 1.00 0.00 C ATOM 796 CZ PHE A 53 -0.730 -15.850 6.480 1.00 0.00 C ATOM 0 H PHE A 53 2.720 -15.788 9.611 1.00 0.00 H new ATOM 0 HA PHE A 53 0.498 -14.583 11.082 1.00 0.00 H new ATOM 0 HB2 PHE A 53 1.440 -17.442 10.447 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -0.146 -17.055 11.084 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -1.693 -15.545 9.731 1.00 0.00 H new ATOM 0 HD2 PHE A 53 1.947 -17.160 8.121 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -2.499 -15.072 7.433 1.00 0.00 H new ATOM 0 HE2 PHE A 53 1.141 -16.688 5.824 1.00 0.00 H new ATOM 0 HZ PHE A 53 -1.080 -15.644 5.479 1.00 0.00 H new ATOM 806 N ILE A 54 0.818 -15.179 13.471 1.00 0.00 N ATOM 807 CA ILE A 54 1.153 -15.377 14.910 1.00 0.00 C ATOM 808 C ILE A 54 -0.054 -15.938 15.666 1.00 0.00 C ATOM 809 O ILE A 54 -1.179 -15.565 15.405 1.00 0.00 O ATOM 810 CB ILE A 54 1.507 -13.982 15.427 1.00 0.00 C ATOM 811 CG1 ILE A 54 0.328 -13.035 15.190 1.00 0.00 C ATOM 812 CG2 ILE A 54 2.738 -13.460 14.685 1.00 0.00 C ATOM 813 CD1 ILE A 54 0.072 -12.211 16.453 1.00 0.00 C ATOM 0 H ILE A 54 -0.058 -14.688 13.292 1.00 0.00 H new ATOM 0 HA ILE A 54 1.969 -16.086 15.049 1.00 0.00 H new ATOM 0 HB ILE A 54 1.722 -14.034 16.494 1.00 0.00 H new ATOM 0 HG12 ILE A 54 0.542 -12.375 14.350 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -0.563 -13.605 14.929 1.00 0.00 H new ATOM 0 HG21 ILE A 54 2.990 -12.466 15.053 1.00 0.00 H new ATOM 0 HG22 ILE A 54 3.578 -14.134 14.855 1.00 0.00 H new ATOM 0 HG23 ILE A 54 2.524 -13.408 13.617 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -0.768 -11.537 16.284 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -0.161 -12.879 17.282 1.00 0.00 H new ATOM 0 HD13 ILE A 54 0.962 -11.629 16.694 1.00 0.00 H new ATOM 825 N PRO A 55 0.229 -16.817 16.587 1.00 0.00 N ATOM 826 CA PRO A 55 -0.878 -17.412 17.379 1.00 0.00 C ATOM 827 C PRO A 55 -1.501 -16.352 18.290 1.00 0.00 C ATOM 828 O PRO A 55 -0.817 -15.517 18.847 1.00 0.00 O ATOM 829 CB PRO A 55 -0.204 -18.508 18.196 1.00 0.00 C ATOM 830 CG PRO A 55 1.224 -18.086 18.297 1.00 0.00 C ATOM 831 CD PRO A 55 1.538 -17.303 17.050 1.00 0.00 C ATOM 0 HA PRO A 55 -1.686 -17.800 16.759 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -0.659 -18.603 19.182 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -0.296 -19.478 17.708 1.00 0.00 H new ATOM 0 HG2 PRO A 55 1.385 -17.477 19.186 1.00 0.00 H new ATOM 0 HG3 PRO A 55 1.878 -18.954 18.383 1.00 0.00 H new ATOM 0 HD2 PRO A 55 2.218 -16.477 17.259 1.00 0.00 H new ATOM 0 HD3 PRO A 55 2.019 -17.929 16.298 1.00 0.00 H new ATOM 839 N PHE A 56 -2.797 -16.370 18.434 1.00 0.00 N ATOM 840 CA PHE A 56 -3.467 -15.353 19.295 1.00 0.00 C ATOM 841 C PHE A 56 -3.265 -15.668 20.783 1.00 0.00 C ATOM 842 O PHE A 56 -3.634 -14.890 21.640 1.00 0.00 O ATOM 843 CB PHE A 56 -4.950 -15.440 18.922 1.00 0.00 C ATOM 844 CG PHE A 56 -5.563 -16.672 19.549 1.00 0.00 C ATOM 845 CD1 PHE A 56 -5.458 -17.913 18.908 1.00 0.00 C ATOM 846 CD2 PHE A 56 -6.239 -16.570 20.770 1.00 0.00 C ATOM 847 CE1 PHE A 56 -6.027 -19.052 19.490 1.00 0.00 C ATOM 848 CE2 PHE A 56 -6.808 -17.710 21.353 1.00 0.00 C ATOM 849 CZ PHE A 56 -6.702 -18.950 20.712 1.00 0.00 C ATOM 0 H PHE A 56 -3.422 -17.045 17.993 1.00 0.00 H new ATOM 0 HA PHE A 56 -3.058 -14.355 19.138 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -5.474 -14.547 19.264 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -5.060 -15.479 17.838 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -4.938 -17.991 17.965 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -6.322 -15.613 21.263 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -5.945 -20.009 18.996 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -7.328 -17.632 22.296 1.00 0.00 H new ATOM 0 HZ PHE A 56 -7.141 -19.829 21.161 1.00 0.00 H new ATOM 859 N ASN A 57 -2.693 -16.798 21.104 1.00 0.00 N ATOM 860 CA ASN A 57 -2.489 -17.140 22.542 1.00 0.00 C ATOM 861 C ASN A 57 -1.129 -16.631 23.033 1.00 0.00 C ATOM 862 O ASN A 57 -0.944 -16.367 24.204 1.00 0.00 O ATOM 863 CB ASN A 57 -2.539 -18.667 22.598 1.00 0.00 C ATOM 864 CG ASN A 57 -2.530 -19.124 24.058 1.00 0.00 C ATOM 865 OD1 ASN A 57 -2.496 -18.311 24.961 1.00 0.00 O ATOM 866 ND2 ASN A 57 -2.559 -20.400 24.330 1.00 0.00 N ATOM 0 H ASN A 57 -2.360 -17.495 20.438 1.00 0.00 H new ATOM 0 HA ASN A 57 -3.244 -16.680 23.180 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -3.436 -19.031 22.097 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -1.685 -19.089 22.068 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -2.553 -20.715 25.300 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -2.588 -21.082 23.572 1.00 0.00 H new ATOM 873 N PHE A 58 -0.176 -16.492 22.152 1.00 0.00 N ATOM 874 CA PHE A 58 1.166 -16.001 22.583 1.00 0.00 C ATOM 875 C PHE A 58 1.246 -14.480 22.433 1.00 0.00 C ATOM 876 O PHE A 58 2.278 -13.879 22.657 1.00 0.00 O ATOM 877 CB PHE A 58 2.164 -16.688 21.648 1.00 0.00 C ATOM 878 CG PHE A 58 2.026 -18.190 21.767 1.00 0.00 C ATOM 879 CD1 PHE A 58 1.457 -18.760 22.914 1.00 0.00 C ATOM 880 CD2 PHE A 58 2.473 -19.015 20.727 1.00 0.00 C ATOM 881 CE1 PHE A 58 1.335 -20.150 23.019 1.00 0.00 C ATOM 882 CE2 PHE A 58 2.351 -20.405 20.833 1.00 0.00 C ATOM 883 CZ PHE A 58 1.783 -20.973 21.979 1.00 0.00 C ATOM 0 H PHE A 58 -0.267 -16.696 21.157 1.00 0.00 H new ATOM 0 HA PHE A 58 1.370 -16.228 23.629 1.00 0.00 H new ATOM 0 HB2 PHE A 58 1.985 -16.377 20.619 1.00 0.00 H new ATOM 0 HB3 PHE A 58 3.180 -16.386 21.900 1.00 0.00 H new ATOM 0 HD1 PHE A 58 1.112 -18.126 23.717 1.00 0.00 H new ATOM 0 HD2 PHE A 58 2.912 -18.578 19.842 1.00 0.00 H new ATOM 0 HE1 PHE A 58 0.895 -20.588 23.903 1.00 0.00 H new ATOM 0 HE2 PHE A 58 2.695 -21.040 20.030 1.00 0.00 H new ATOM 0 HZ PHE A 58 1.690 -22.046 22.061 1.00 0.00 H new ATOM 893 N VAL A 59 0.167 -13.854 22.056 1.00 0.00 N ATOM 894 CA VAL A 59 0.181 -12.373 21.895 1.00 0.00 C ATOM 895 C VAL A 59 -1.081 -11.765 22.511 1.00 0.00 C ATOM 896 O VAL A 59 -2.152 -12.334 22.443 1.00 0.00 O ATOM 897 CB VAL A 59 0.209 -12.140 20.384 1.00 0.00 C ATOM 898 CG1 VAL A 59 1.491 -12.739 19.802 1.00 0.00 C ATOM 899 CG2 VAL A 59 -1.007 -12.811 19.743 1.00 0.00 C ATOM 0 H VAL A 59 -0.725 -14.304 21.852 1.00 0.00 H new ATOM 0 HA VAL A 59 1.032 -11.909 22.393 1.00 0.00 H new ATOM 0 HB VAL A 59 0.182 -11.070 20.178 1.00 0.00 H new ATOM 0 HG11 VAL A 59 1.513 -12.574 18.725 1.00 0.00 H new ATOM 0 HG12 VAL A 59 2.357 -12.261 20.260 1.00 0.00 H new ATOM 0 HG13 VAL A 59 1.518 -13.809 20.006 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -0.988 -12.646 18.666 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -0.981 -13.882 19.946 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -1.920 -12.385 20.160 1.00 0.00 H new ATOM 909 N ALA A 60 -0.965 -10.613 23.114 1.00 0.00 N ATOM 910 CA ALA A 60 -2.160 -9.974 23.733 1.00 0.00 C ATOM 911 C ALA A 60 -2.187 -8.477 23.416 1.00 0.00 C ATOM 912 O ALA A 60 -1.183 -7.887 23.069 1.00 0.00 O ATOM 913 CB ALA A 60 -1.997 -10.201 25.237 1.00 0.00 C ATOM 0 H ALA A 60 -0.095 -10.088 23.204 1.00 0.00 H new ATOM 0 HA ALA A 60 -3.093 -10.394 23.356 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -2.841 -9.758 25.765 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -1.962 -11.271 25.442 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -1.072 -9.736 25.577 1.00 0.00 H new ATOM 919 N LYS A 61 -3.330 -7.859 23.532 1.00 0.00 N ATOM 920 CA LYS A 61 -3.424 -6.399 23.238 1.00 0.00 C ATOM 921 C LYS A 61 -2.677 -5.595 24.305 1.00 0.00 C ATOM 922 O LYS A 61 -2.729 -5.903 25.479 1.00 0.00 O ATOM 923 CB LYS A 61 -4.920 -6.086 23.279 1.00 0.00 C ATOM 924 CG LYS A 61 -5.636 -6.870 22.177 1.00 0.00 C ATOM 925 CD LYS A 61 -7.077 -6.372 22.050 1.00 0.00 C ATOM 926 CE LYS A 61 -7.818 -6.608 23.368 1.00 0.00 C ATOM 927 NZ LYS A 61 -9.047 -7.358 22.987 1.00 0.00 N ATOM 0 H LYS A 61 -4.204 -8.301 23.818 1.00 0.00 H new ATOM 0 HA LYS A 61 -2.978 -6.140 22.278 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -5.331 -6.350 24.253 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -5.082 -5.017 23.144 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -5.112 -6.746 21.229 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -5.627 -7.935 22.409 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -7.085 -5.311 21.801 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -7.583 -6.894 21.238 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -7.208 -7.179 24.068 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -8.066 -5.666 23.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -9.610 -7.558 23.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -9.611 -6.787 22.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -8.780 -8.253 22.530 1.00 0.00 H new ATOM 941 N ALA A 62 -1.980 -4.566 23.905 1.00 0.00 N ATOM 942 CA ALA A 62 -1.230 -3.743 24.897 1.00 0.00 C ATOM 943 C ALA A 62 -2.202 -3.070 25.871 1.00 0.00 C ATOM 944 O ALA A 62 -3.318 -2.740 25.520 1.00 0.00 O ATOM 945 CB ALA A 62 -0.494 -2.692 24.065 1.00 0.00 C ATOM 0 H ALA A 62 -1.897 -4.260 22.936 1.00 0.00 H new ATOM 0 HA ALA A 62 -0.545 -4.343 25.496 1.00 0.00 H new ATOM 0 HB1 ALA A 62 0.083 -2.044 24.725 1.00 0.00 H new ATOM 0 HB2 ALA A 62 0.178 -3.188 23.364 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -1.218 -2.094 23.512 1.00 0.00 H new ATOM 951 N ASN A 63 -1.787 -2.864 27.091 1.00 0.00 N ATOM 952 CA ASN A 63 -2.688 -2.211 28.084 1.00 0.00 C ATOM 953 C ASN A 63 -2.008 -0.979 28.688 1.00 0.00 C ATOM 954 O ASN A 63 -1.707 -0.067 27.937 1.00 0.00 O ATOM 955 CB ASN A 63 -2.926 -3.273 29.159 1.00 0.00 C ATOM 956 CG ASN A 63 -3.663 -4.465 28.544 1.00 0.00 C ATOM 957 OD1 ASN A 63 -4.316 -4.332 27.529 1.00 0.00 O ATOM 958 ND2 ASN A 63 -3.584 -5.633 29.122 1.00 0.00 N ATOM 959 OXT ASN A 63 -1.800 -0.971 29.890 1.00 0.00 O ATOM 0 H ASN A 63 -0.864 -3.119 27.443 1.00 0.00 H new ATOM 0 HA ASN A 63 -3.620 -1.869 27.634 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -1.975 -3.598 29.581 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -3.511 -2.853 29.977 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -4.071 -6.434 28.721 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -3.035 -5.744 29.975 1.00 0.00 H new TER 966 ASN A 63