USER MOD reduce.3.24.130724 H: found=0, std=0, add=764, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 762 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 24 HIS : no HD1:sc= -1.89! C(o=-2.6!,f=-4.9!) USER MOD Set 1.2: B 46 MET CE :methyl -155:sc= -0.702 (180deg=-0.83) USER MOD Set 2.1: A 46 MET CE :methyl -143:sc= -0.751 (180deg=-1.21) USER MOD Set 2.2: B 24 HIS : no HD1:sc= -2.02! C(o=-2.8!,f=-5.6!) USER MOD Single : A 5 GLN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : A 7 LYS NZ :NH3+ -153:sc= 1.23 (180deg=0.616) USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 13 LYS NZ :NH3+ 175:sc= 2.5 (180deg=2.33) USER MOD Single : A 14 LYS NZ :NH3+ 166:sc= 1.9 (180deg=1.12) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= -0.132 X(o=-0.13,f=0) USER MOD Single : A 28 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 30 LYS NZ :NH3+ 170:sc= 1.14 (180deg=0.729) USER MOD Single : A 35 SER OG : rot -77:sc= 1.06 USER MOD Single : A 40 LYS NZ :NH3+ 174:sc= 1.28 (180deg=1.17) USER MOD Single : A 43 ASN : amide:sc= 0.568 K(o=0.57,f=-0.22) USER MOD Single : A 44 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00455) USER MOD Single : B 7 LYS NZ :NH3+ -163:sc= 1.23 (180deg=0.682) USER MOD Single : B 8 ASN : amide:sc= -0.0192 K(o=-0.019,f=-0.92) USER MOD Single : B 9 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.122) USER MOD Single : B 12 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 13 LYS NZ :NH3+ -174:sc= 2.43 (180deg=2.28) USER MOD Single : B 14 LYS NZ :NH3+ 180:sc= 1.87 (180deg=1.87) USER MOD Single : B 15 LYS NZ :NH3+ 170:sc= -0.0188 (180deg=-0.155) USER MOD Single : B 19 GLN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : B 28 HIS : no HD1:sc= 0 X(o=0,f=-0.0039) USER MOD Single : B 30 LYS NZ :NH3+ 163:sc= 1.17 (180deg=0.923) USER MOD Single : B 35 SER OG : rot -80:sc= 1.2 USER MOD Single : B 40 LYS NZ :NH3+ 173:sc= 1.31 (180deg=1.25) USER MOD Single : B 43 ASN : amide:sc= 0.141 K(o=0.14,f=-0.8) USER MOD Single : B 44 LYS NZ :NH3+ 174:sc= 0.546 (180deg=0.506) USER MOD ----------------------------------------------------------------- ATOM 59 N GLN A 5 16.177 -13.186 3.282 1.00 0.00 N ATOM 60 CA GLN A 5 16.829 -11.875 3.221 1.00 0.00 C ATOM 61 C GLN A 5 15.976 -10.917 2.415 1.00 0.00 C ATOM 62 O GLN A 5 15.743 -9.792 2.817 1.00 0.00 O ATOM 63 CB GLN A 5 18.192 -11.964 2.551 1.00 0.00 C ATOM 64 CG GLN A 5 19.212 -12.825 3.251 1.00 0.00 C ATOM 65 CD GLN A 5 20.524 -12.844 2.497 1.00 0.00 C ATOM 66 OE1 GLN A 5 20.894 -11.872 1.824 1.00 0.00 O ATOM 67 NE2 GLN A 5 21.225 -13.924 2.576 1.00 0.00 N ATOM 0 HA GLN A 5 16.952 -11.522 4.245 1.00 0.00 H new ATOM 0 HB2 GLN A 5 18.054 -12.346 1.540 1.00 0.00 H new ATOM 0 HB3 GLN A 5 18.597 -10.956 2.459 1.00 0.00 H new ATOM 0 HG2 GLN A 5 19.376 -12.450 4.261 1.00 0.00 H new ATOM 0 HG3 GLN A 5 18.830 -13.841 3.346 1.00 0.00 H new ATOM 0 HE21 GLN A 5 20.893 -14.707 3.139 1.00 0.00 H new ATOM 0 HE22 GLN A 5 22.111 -13.995 2.076 1.00 0.00 H new ATOM 76 N LEU A 6 15.502 -11.406 1.289 1.00 0.00 N ATOM 77 CA LEU A 6 14.671 -10.658 0.356 1.00 0.00 C ATOM 78 C LEU A 6 13.412 -10.137 1.050 1.00 0.00 C ATOM 79 O LEU A 6 13.017 -8.999 0.851 1.00 0.00 O ATOM 80 CB LEU A 6 14.364 -11.576 -0.866 1.00 0.00 C ATOM 81 CG LEU A 6 13.495 -11.054 -2.036 1.00 0.00 C ATOM 82 CD1 LEU A 6 12.034 -11.009 -1.682 1.00 0.00 C ATOM 83 CD2 LEU A 6 13.972 -9.705 -2.535 1.00 0.00 C ATOM 0 H LEU A 6 15.687 -12.362 0.984 1.00 0.00 H new ATOM 0 HA LEU A 6 15.194 -9.772 -0.005 1.00 0.00 H new ATOM 0 HB2 LEU A 6 15.321 -11.884 -1.287 1.00 0.00 H new ATOM 0 HB3 LEU A 6 13.881 -12.475 -0.481 1.00 0.00 H new ATOM 0 HG LEU A 6 13.612 -11.770 -2.849 1.00 0.00 H new ATOM 0 HD11 LEU A 6 11.465 -10.636 -2.534 1.00 0.00 H new ATOM 0 HD12 LEU A 6 11.691 -12.011 -1.426 1.00 0.00 H new ATOM 0 HD13 LEU A 6 11.887 -10.346 -0.829 1.00 0.00 H new ATOM 0 HD21 LEU A 6 13.335 -9.375 -3.356 1.00 0.00 H new ATOM 0 HD22 LEU A 6 13.924 -8.979 -1.723 1.00 0.00 H new ATOM 0 HD23 LEU A 6 15.001 -9.790 -2.885 1.00 0.00 H new ATOM 95 N LYS A 7 12.803 -10.968 1.871 1.00 0.00 N ATOM 96 CA LYS A 7 11.612 -10.590 2.623 1.00 0.00 C ATOM 97 C LYS A 7 11.958 -9.489 3.592 1.00 0.00 C ATOM 98 O LYS A 7 11.190 -8.564 3.791 1.00 0.00 O ATOM 99 CB LYS A 7 11.081 -11.787 3.379 1.00 0.00 C ATOM 100 CG LYS A 7 9.573 -11.997 3.241 1.00 0.00 C ATOM 101 CD LYS A 7 8.716 -11.037 4.079 1.00 0.00 C ATOM 102 CE LYS A 7 8.903 -11.248 5.587 1.00 0.00 C ATOM 103 NZ LYS A 7 7.945 -10.446 6.388 1.00 0.00 N ATOM 0 H LYS A 7 13.115 -11.924 2.039 1.00 0.00 H new ATOM 0 HA LYS A 7 10.846 -10.237 1.932 1.00 0.00 H new ATOM 0 HB2 LYS A 7 11.595 -12.682 3.027 1.00 0.00 H new ATOM 0 HB3 LYS A 7 11.326 -11.673 4.435 1.00 0.00 H new ATOM 0 HG2 LYS A 7 9.298 -11.887 2.192 1.00 0.00 H new ATOM 0 HG3 LYS A 7 9.334 -13.021 3.527 1.00 0.00 H new ATOM 0 HD2 LYS A 7 8.973 -10.009 3.824 1.00 0.00 H new ATOM 0 HD3 LYS A 7 7.665 -11.175 3.823 1.00 0.00 H new ATOM 0 HE2 LYS A 7 8.776 -12.305 5.823 1.00 0.00 H new ATOM 0 HE3 LYS A 7 9.922 -10.979 5.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 8.357 -10.244 7.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 7.745 -9.551 5.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 7.061 -10.980 6.508 1.00 0.00 H new ATOM 117 N ASN A 8 13.127 -9.592 4.167 1.00 0.00 N ATOM 118 CA ASN A 8 13.646 -8.577 5.054 1.00 0.00 C ATOM 119 C ASN A 8 13.915 -7.281 4.305 1.00 0.00 C ATOM 120 O ASN A 8 13.770 -6.197 4.867 1.00 0.00 O ATOM 121 CB ASN A 8 14.877 -9.044 5.825 1.00 0.00 C ATOM 122 CG ASN A 8 14.551 -9.862 7.058 1.00 0.00 C ATOM 123 OD1 ASN A 8 14.356 -9.309 8.136 1.00 0.00 O ATOM 124 ND2 ASN A 8 14.524 -11.161 6.933 1.00 0.00 N ATOM 0 H ASN A 8 13.752 -10.387 4.034 1.00 0.00 H new ATOM 0 HA ASN A 8 12.873 -8.383 5.798 1.00 0.00 H new ATOM 0 HB2 ASN A 8 15.506 -9.638 5.162 1.00 0.00 H new ATOM 0 HB3 ASN A 8 15.461 -8.173 6.122 1.00 0.00 H new ATOM 0 HD21 ASN A 8 14.337 -11.748 7.746 1.00 0.00 H new ATOM 0 HD22 ASN A 8 14.690 -11.589 6.022 1.00 0.00 H new ATOM 131 N LYS A 9 14.339 -7.395 3.048 1.00 0.00 N ATOM 132 CA LYS A 9 14.527 -6.227 2.187 1.00 0.00 C ATOM 133 C LYS A 9 13.165 -5.610 1.884 1.00 0.00 C ATOM 134 O LYS A 9 13.029 -4.403 1.831 1.00 0.00 O ATOM 135 CB LYS A 9 15.230 -6.590 0.863 1.00 0.00 C ATOM 136 CG LYS A 9 16.548 -7.334 1.018 1.00 0.00 C ATOM 137 CD LYS A 9 17.552 -6.571 1.866 1.00 0.00 C ATOM 138 CE LYS A 9 18.818 -7.382 2.056 1.00 0.00 C ATOM 139 NZ LYS A 9 19.783 -6.710 2.944 1.00 0.00 N ATOM 0 H LYS A 9 14.559 -8.285 2.602 1.00 0.00 H new ATOM 0 HA LYS A 9 15.164 -5.518 2.715 1.00 0.00 H new ATOM 0 HB2 LYS A 9 14.553 -7.201 0.265 1.00 0.00 H new ATOM 0 HB3 LYS A 9 15.411 -5.673 0.302 1.00 0.00 H new ATOM 0 HG2 LYS A 9 16.361 -8.308 1.471 1.00 0.00 H new ATOM 0 HG3 LYS A 9 16.976 -7.518 0.032 1.00 0.00 H new ATOM 0 HD2 LYS A 9 17.791 -5.621 1.389 1.00 0.00 H new ATOM 0 HD3 LYS A 9 17.114 -6.339 2.837 1.00 0.00 H new ATOM 0 HE2 LYS A 9 18.564 -8.357 2.471 1.00 0.00 H new ATOM 0 HE3 LYS A 9 19.282 -7.560 1.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 20.633 -7.301 3.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 20.047 -5.790 2.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 19.351 -6.563 3.879 1.00 0.00 H new ATOM 153 N ILE A 10 12.168 -6.470 1.684 1.00 0.00 N ATOM 154 CA ILE A 10 10.776 -6.048 1.489 1.00 0.00 C ATOM 155 C ILE A 10 10.304 -5.268 2.708 1.00 0.00 C ATOM 156 O ILE A 10 9.735 -4.180 2.579 1.00 0.00 O ATOM 157 CB ILE A 10 9.839 -7.276 1.238 1.00 0.00 C ATOM 158 CG1 ILE A 10 10.165 -7.913 -0.114 1.00 0.00 C ATOM 159 CG2 ILE A 10 8.357 -6.896 1.322 1.00 0.00 C ATOM 160 CD1 ILE A 10 9.377 -9.164 -0.428 1.00 0.00 C ATOM 0 H ILE A 10 12.299 -7.481 1.652 1.00 0.00 H new ATOM 0 HA ILE A 10 10.731 -5.409 0.607 1.00 0.00 H new ATOM 0 HB ILE A 10 10.023 -8.004 2.028 1.00 0.00 H new ATOM 0 HG12 ILE A 10 9.984 -7.179 -0.899 1.00 0.00 H new ATOM 0 HG13 ILE A 10 11.228 -8.153 -0.141 1.00 0.00 H new ATOM 0 HG21 ILE A 10 7.744 -7.779 1.141 1.00 0.00 H new ATOM 0 HG22 ILE A 10 8.139 -6.500 2.314 1.00 0.00 H new ATOM 0 HG23 ILE A 10 8.132 -6.139 0.571 1.00 0.00 H new ATOM 0 HD11 ILE A 10 9.674 -9.546 -1.405 1.00 0.00 H new ATOM 0 HD12 ILE A 10 9.575 -9.919 0.332 1.00 0.00 H new ATOM 0 HD13 ILE A 10 8.312 -8.930 -0.438 1.00 0.00 H new ATOM 172 N GLU A 11 10.562 -5.832 3.886 1.00 0.00 N ATOM 173 CA GLU A 11 10.257 -5.184 5.150 1.00 0.00 C ATOM 174 C GLU A 11 10.937 -3.839 5.212 1.00 0.00 C ATOM 175 O GLU A 11 10.296 -2.830 5.464 1.00 0.00 O ATOM 176 CB GLU A 11 10.726 -6.041 6.331 1.00 0.00 C ATOM 177 CG GLU A 11 10.007 -7.368 6.480 1.00 0.00 C ATOM 178 CD GLU A 11 8.528 -7.194 6.681 1.00 0.00 C ATOM 179 OE1 GLU A 11 8.134 -6.442 7.589 1.00 0.00 O ATOM 180 OE2 GLU A 11 7.728 -7.785 5.916 1.00 0.00 O ATOM 0 H GLU A 11 10.989 -6.753 3.986 1.00 0.00 H new ATOM 0 HA GLU A 11 9.176 -5.057 5.215 1.00 0.00 H new ATOM 0 HB2 GLU A 11 11.793 -6.233 6.221 1.00 0.00 H new ATOM 0 HB3 GLU A 11 10.598 -5.469 7.250 1.00 0.00 H new ATOM 0 HG2 GLU A 11 10.182 -7.976 5.592 1.00 0.00 H new ATOM 0 HG3 GLU A 11 10.425 -7.913 7.327 1.00 0.00 H new ATOM 187 N ASN A 12 12.221 -3.838 4.925 1.00 0.00 N ATOM 188 CA ASN A 12 13.049 -2.640 4.972 1.00 0.00 C ATOM 189 C ASN A 12 12.544 -1.579 4.003 1.00 0.00 C ATOM 190 O ASN A 12 12.430 -0.429 4.363 1.00 0.00 O ATOM 191 CB ASN A 12 14.506 -2.976 4.639 1.00 0.00 C ATOM 192 CG ASN A 12 15.458 -1.814 4.892 1.00 0.00 C ATOM 193 OD1 ASN A 12 15.256 -1.012 5.810 1.00 0.00 O ATOM 194 ND2 ASN A 12 16.483 -1.711 4.102 1.00 0.00 N ATOM 0 H ASN A 12 12.731 -4.677 4.648 1.00 0.00 H new ATOM 0 HA ASN A 12 12.990 -2.245 5.986 1.00 0.00 H new ATOM 0 HB2 ASN A 12 14.821 -3.833 5.235 1.00 0.00 H new ATOM 0 HB3 ASN A 12 14.574 -3.273 3.593 1.00 0.00 H new ATOM 0 HD21 ASN A 12 17.151 -0.951 4.230 1.00 0.00 H new ATOM 0 HD22 ASN A 12 16.620 -2.390 3.354 1.00 0.00 H new ATOM 201 N LYS A 13 12.208 -1.994 2.791 1.00 0.00 N ATOM 202 CA LYS A 13 11.746 -1.084 1.743 1.00 0.00 C ATOM 203 C LYS A 13 10.406 -0.475 2.127 1.00 0.00 C ATOM 204 O LYS A 13 10.178 0.723 1.950 1.00 0.00 O ATOM 205 CB LYS A 13 11.618 -1.831 0.418 1.00 0.00 C ATOM 206 CG LYS A 13 11.583 -0.931 -0.815 1.00 0.00 C ATOM 207 CD LYS A 13 12.865 -0.122 -0.949 1.00 0.00 C ATOM 208 CE LYS A 13 14.094 -1.008 -0.995 1.00 0.00 C ATOM 209 NZ LYS A 13 15.329 -0.224 -1.100 1.00 0.00 N ATOM 0 H LYS A 13 12.247 -2.971 2.502 1.00 0.00 H new ATOM 0 HA LYS A 13 12.477 -0.283 1.629 1.00 0.00 H new ATOM 0 HB2 LYS A 13 12.455 -2.523 0.323 1.00 0.00 H new ATOM 0 HB3 LYS A 13 10.708 -2.431 0.440 1.00 0.00 H new ATOM 0 HG2 LYS A 13 11.440 -1.540 -1.708 1.00 0.00 H new ATOM 0 HG3 LYS A 13 10.730 -0.256 -0.750 1.00 0.00 H new ATOM 0 HD2 LYS A 13 12.819 0.482 -1.855 1.00 0.00 H new ATOM 0 HD3 LYS A 13 12.947 0.569 -0.110 1.00 0.00 H new ATOM 0 HE2 LYS A 13 14.131 -1.625 -0.097 1.00 0.00 H new ATOM 0 HE3 LYS A 13 14.021 -1.686 -1.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 16.150 -0.860 -1.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 15.344 0.280 -2.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 15.370 0.464 -0.322 1.00 0.00 H new ATOM 223 N LYS A 14 9.534 -1.319 2.644 1.00 0.00 N ATOM 224 CA LYS A 14 8.253 -0.930 3.173 1.00 0.00 C ATOM 225 C LYS A 14 8.480 0.118 4.260 1.00 0.00 C ATOM 226 O LYS A 14 7.888 1.175 4.234 1.00 0.00 O ATOM 227 CB LYS A 14 7.587 -2.184 3.765 1.00 0.00 C ATOM 228 CG LYS A 14 6.194 -2.007 4.356 1.00 0.00 C ATOM 229 CD LYS A 14 5.672 -3.332 4.933 1.00 0.00 C ATOM 230 CE LYS A 14 6.469 -3.774 6.148 1.00 0.00 C ATOM 231 NZ LYS A 14 6.089 -5.136 6.619 1.00 0.00 N ATOM 0 H LYS A 14 9.708 -2.322 2.707 1.00 0.00 H new ATOM 0 HA LYS A 14 7.611 -0.507 2.400 1.00 0.00 H new ATOM 0 HB2 LYS A 14 7.530 -2.940 2.982 1.00 0.00 H new ATOM 0 HB3 LYS A 14 8.239 -2.579 4.544 1.00 0.00 H new ATOM 0 HG2 LYS A 14 6.220 -1.250 5.139 1.00 0.00 H new ATOM 0 HG3 LYS A 14 5.511 -1.646 3.587 1.00 0.00 H new ATOM 0 HD2 LYS A 14 4.623 -3.220 5.208 1.00 0.00 H new ATOM 0 HD3 LYS A 14 5.720 -4.106 4.167 1.00 0.00 H new ATOM 0 HE2 LYS A 14 7.532 -3.761 5.905 1.00 0.00 H new ATOM 0 HE3 LYS A 14 6.318 -3.059 6.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 6.807 -5.486 7.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 5.166 -5.093 7.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 6.029 -5.781 5.805 1.00 0.00 H new ATOM 245 N LYS A 15 9.395 -0.182 5.174 1.00 0.00 N ATOM 246 CA LYS A 15 9.740 0.709 6.270 1.00 0.00 C ATOM 247 C LYS A 15 10.362 2.018 5.760 1.00 0.00 C ATOM 248 O LYS A 15 10.090 3.081 6.309 1.00 0.00 O ATOM 249 CB LYS A 15 10.647 -0.005 7.286 1.00 0.00 C ATOM 250 CG LYS A 15 9.942 -1.174 7.980 1.00 0.00 C ATOM 251 CD LYS A 15 10.881 -2.044 8.816 1.00 0.00 C ATOM 252 CE LYS A 15 11.462 -1.305 10.017 1.00 0.00 C ATOM 253 NZ LYS A 15 12.298 -2.195 10.857 1.00 0.00 N ATOM 0 H LYS A 15 9.920 -1.056 5.174 1.00 0.00 H new ATOM 0 HA LYS A 15 8.820 0.982 6.786 1.00 0.00 H new ATOM 0 HB2 LYS A 15 11.538 -0.372 6.777 1.00 0.00 H new ATOM 0 HB3 LYS A 15 10.981 0.711 8.037 1.00 0.00 H new ATOM 0 HG2 LYS A 15 9.154 -0.782 8.623 1.00 0.00 H new ATOM 0 HG3 LYS A 15 9.459 -1.796 7.226 1.00 0.00 H new ATOM 0 HD2 LYS A 15 10.340 -2.924 9.164 1.00 0.00 H new ATOM 0 HD3 LYS A 15 11.696 -2.400 8.186 1.00 0.00 H new ATOM 0 HE2 LYS A 15 12.061 -0.463 9.671 1.00 0.00 H new ATOM 0 HE3 LYS A 15 10.651 -0.893 10.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 12.675 -1.657 11.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 11.720 -2.985 11.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 13.086 -2.568 10.290 1.00 0.00 H new ATOM 267 N GLU A 16 11.190 1.933 4.708 1.00 0.00 N ATOM 268 CA GLU A 16 11.755 3.118 4.044 1.00 0.00 C ATOM 269 C GLU A 16 10.629 4.010 3.555 1.00 0.00 C ATOM 270 O GLU A 16 10.627 5.220 3.776 1.00 0.00 O ATOM 271 CB GLU A 16 12.638 2.746 2.824 1.00 0.00 C ATOM 272 CG GLU A 16 13.971 2.090 3.114 1.00 0.00 C ATOM 273 CD GLU A 16 14.794 1.946 1.846 1.00 0.00 C ATOM 274 OE1 GLU A 16 15.219 2.971 1.295 1.00 0.00 O ATOM 275 OE2 GLU A 16 15.012 0.832 1.356 1.00 0.00 O ATOM 0 H GLU A 16 11.485 1.048 4.296 1.00 0.00 H new ATOM 0 HA GLU A 16 12.377 3.629 4.779 1.00 0.00 H new ATOM 0 HB2 GLU A 16 12.064 2.078 2.182 1.00 0.00 H new ATOM 0 HB3 GLU A 16 12.825 3.655 2.252 1.00 0.00 H new ATOM 0 HG2 GLU A 16 14.522 2.684 3.844 1.00 0.00 H new ATOM 0 HG3 GLU A 16 13.808 1.109 3.560 1.00 0.00 H new ATOM 282 N LEU A 17 9.666 3.386 2.926 1.00 0.00 N ATOM 283 CA LEU A 17 8.520 4.062 2.384 1.00 0.00 C ATOM 284 C LEU A 17 7.660 4.653 3.483 1.00 0.00 C ATOM 285 O LEU A 17 7.209 5.792 3.372 1.00 0.00 O ATOM 286 CB LEU A 17 7.737 3.090 1.464 1.00 0.00 C ATOM 287 CG LEU A 17 6.332 3.485 0.989 1.00 0.00 C ATOM 288 CD1 LEU A 17 5.290 3.260 2.038 1.00 0.00 C ATOM 289 CD2 LEU A 17 6.298 4.892 0.427 1.00 0.00 C ATOM 0 H LEU A 17 9.658 2.377 2.775 1.00 0.00 H new ATOM 0 HA LEU A 17 8.848 4.906 1.777 1.00 0.00 H new ATOM 0 HB2 LEU A 17 8.346 2.913 0.578 1.00 0.00 H new ATOM 0 HB3 LEU A 17 7.652 2.138 1.988 1.00 0.00 H new ATOM 0 HG LEU A 17 6.080 2.816 0.166 1.00 0.00 H new ATOM 0 HD11 LEU A 17 4.315 3.555 1.651 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.268 2.204 2.309 1.00 0.00 H new ATOM 0 HD13 LEU A 17 5.526 3.856 2.919 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.285 5.130 0.103 1.00 0.00 H new ATOM 0 HD22 LEU A 17 6.608 5.599 1.197 1.00 0.00 H new ATOM 0 HD23 LEU A 17 6.976 4.961 -0.423 1.00 0.00 H new ATOM 301 N ILE A 18 7.422 3.879 4.520 1.00 0.00 N ATOM 302 CA ILE A 18 6.595 4.317 5.622 1.00 0.00 C ATOM 303 C ILE A 18 7.168 5.591 6.238 1.00 0.00 C ATOM 304 O ILE A 18 6.441 6.516 6.544 1.00 0.00 O ATOM 305 CB ILE A 18 6.427 3.216 6.696 1.00 0.00 C ATOM 306 CG1 ILE A 18 5.694 2.006 6.108 1.00 0.00 C ATOM 307 CG2 ILE A 18 5.649 3.755 7.892 1.00 0.00 C ATOM 308 CD1 ILE A 18 5.808 0.768 6.952 1.00 0.00 C ATOM 0 H ILE A 18 7.794 2.935 4.622 1.00 0.00 H new ATOM 0 HA ILE A 18 5.602 4.530 5.225 1.00 0.00 H new ATOM 0 HB ILE A 18 7.418 2.906 7.027 1.00 0.00 H new ATOM 0 HG12 ILE A 18 4.640 2.255 5.983 1.00 0.00 H new ATOM 0 HG13 ILE A 18 6.092 1.797 5.115 1.00 0.00 H new ATOM 0 HG21 ILE A 18 5.539 2.969 8.639 1.00 0.00 H new ATOM 0 HG22 ILE A 18 6.188 4.596 8.328 1.00 0.00 H new ATOM 0 HG23 ILE A 18 4.663 4.086 7.566 1.00 0.00 H new ATOM 0 HD11 ILE A 18 5.266 -0.049 6.475 1.00 0.00 H new ATOM 0 HD12 ILE A 18 6.858 0.494 7.056 1.00 0.00 H new ATOM 0 HD13 ILE A 18 5.383 0.959 7.937 1.00 0.00 H new ATOM 320 N GLN A 19 8.477 5.632 6.368 1.00 0.00 N ATOM 321 CA GLN A 19 9.162 6.817 6.861 1.00 0.00 C ATOM 322 C GLN A 19 8.935 8.000 5.931 1.00 0.00 C ATOM 323 O GLN A 19 8.712 9.120 6.387 1.00 0.00 O ATOM 324 CB GLN A 19 10.642 6.548 7.006 1.00 0.00 C ATOM 325 CG GLN A 19 10.965 5.523 8.058 1.00 0.00 C ATOM 326 CD GLN A 19 12.416 5.161 8.065 1.00 0.00 C ATOM 327 OE1 GLN A 19 13.222 5.775 8.759 1.00 0.00 O ATOM 328 NE2 GLN A 19 12.760 4.161 7.310 1.00 0.00 N ATOM 0 H GLN A 19 9.096 4.854 6.138 1.00 0.00 H new ATOM 0 HA GLN A 19 8.750 7.064 7.840 1.00 0.00 H new ATOM 0 HB2 GLN A 19 11.038 6.211 6.048 1.00 0.00 H new ATOM 0 HB3 GLN A 19 11.151 7.481 7.250 1.00 0.00 H new ATOM 0 HG2 GLN A 19 10.684 5.909 9.038 1.00 0.00 H new ATOM 0 HG3 GLN A 19 10.369 4.627 7.885 1.00 0.00 H new ATOM 0 HE21 GLN A 19 12.057 3.679 6.750 1.00 0.00 H new ATOM 0 HE22 GLN A 19 13.733 3.858 7.278 1.00 0.00 H new ATOM 337 N LEU A 20 8.954 7.736 4.632 1.00 0.00 N ATOM 338 CA LEU A 20 8.742 8.763 3.634 1.00 0.00 C ATOM 339 C LEU A 20 7.334 9.341 3.710 1.00 0.00 C ATOM 340 O LEU A 20 7.179 10.566 3.782 1.00 0.00 O ATOM 341 CB LEU A 20 9.056 8.263 2.222 1.00 0.00 C ATOM 342 CG LEU A 20 10.516 7.905 1.935 1.00 0.00 C ATOM 343 CD1 LEU A 20 10.662 7.393 0.518 1.00 0.00 C ATOM 344 CD2 LEU A 20 11.418 9.111 2.149 1.00 0.00 C ATOM 0 H LEU A 20 9.117 6.806 4.246 1.00 0.00 H new ATOM 0 HA LEU A 20 9.443 9.567 3.858 1.00 0.00 H new ATOM 0 HB2 LEU A 20 8.444 7.382 2.028 1.00 0.00 H new ATOM 0 HB3 LEU A 20 8.746 9.029 1.512 1.00 0.00 H new ATOM 0 HG LEU A 20 10.818 7.120 2.628 1.00 0.00 H new ATOM 0 HD11 LEU A 20 11.705 7.142 0.327 1.00 0.00 H new ATOM 0 HD12 LEU A 20 10.045 6.504 0.387 1.00 0.00 H new ATOM 0 HD13 LEU A 20 10.340 8.164 -0.182 1.00 0.00 H new ATOM 0 HD21 LEU A 20 12.451 8.834 1.940 1.00 0.00 H new ATOM 0 HD22 LEU A 20 11.115 9.916 1.479 1.00 0.00 H new ATOM 0 HD23 LEU A 20 11.335 9.449 3.182 1.00 0.00 H new ATOM 356 N VAL A 21 6.298 8.485 3.691 1.00 0.00 N ATOM 357 CA VAL A 21 4.945 8.978 3.828 1.00 0.00 C ATOM 358 C VAL A 21 4.733 9.692 5.190 1.00 0.00 C ATOM 359 O VAL A 21 4.022 10.696 5.279 1.00 0.00 O ATOM 360 CB VAL A 21 3.904 7.853 3.643 1.00 0.00 C ATOM 361 CG1 VAL A 21 4.134 7.084 2.380 1.00 0.00 C ATOM 362 CG2 VAL A 21 3.833 6.923 4.806 1.00 0.00 C ATOM 0 H VAL A 21 6.382 7.474 3.584 1.00 0.00 H new ATOM 0 HA VAL A 21 4.796 9.709 3.033 1.00 0.00 H new ATOM 0 HB VAL A 21 2.941 8.358 3.574 1.00 0.00 H new ATOM 0 HG11 VAL A 21 3.380 6.302 2.288 1.00 0.00 H new ATOM 0 HG12 VAL A 21 4.064 7.758 1.526 1.00 0.00 H new ATOM 0 HG13 VAL A 21 5.125 6.631 2.405 1.00 0.00 H new ATOM 0 HG21 VAL A 21 3.083 6.156 4.613 1.00 0.00 H new ATOM 0 HG22 VAL A 21 4.804 6.452 4.955 1.00 0.00 H new ATOM 0 HG23 VAL A 21 3.559 7.481 5.702 1.00 0.00 H new ATOM 372 N ALA A 22 5.401 9.190 6.223 1.00 0.00 N ATOM 373 CA ALA A 22 5.300 9.719 7.564 1.00 0.00 C ATOM 374 C ALA A 22 5.814 11.142 7.633 1.00 0.00 C ATOM 375 O ALA A 22 5.107 12.055 8.075 1.00 0.00 O ATOM 376 CB ALA A 22 6.076 8.835 8.511 1.00 0.00 C ATOM 0 H ALA A 22 6.034 8.394 6.144 1.00 0.00 H new ATOM 0 HA ALA A 22 4.250 9.733 7.855 1.00 0.00 H new ATOM 0 HB1 ALA A 22 6.001 9.232 9.523 1.00 0.00 H new ATOM 0 HB2 ALA A 22 5.665 7.826 8.486 1.00 0.00 H new ATOM 0 HB3 ALA A 22 7.123 8.808 8.208 1.00 0.00 H new ATOM 382 N ARG A 23 7.019 11.335 7.129 1.00 0.00 N ATOM 383 CA ARG A 23 7.677 12.632 7.150 1.00 0.00 C ATOM 384 C ARG A 23 6.989 13.635 6.234 1.00 0.00 C ATOM 385 O ARG A 23 7.198 14.841 6.359 1.00 0.00 O ATOM 386 CB ARG A 23 9.181 12.515 6.860 1.00 0.00 C ATOM 387 CG ARG A 23 9.541 11.961 5.496 1.00 0.00 C ATOM 388 CD ARG A 23 11.040 11.708 5.384 1.00 0.00 C ATOM 389 NE ARG A 23 11.818 12.937 5.565 1.00 0.00 N ATOM 390 CZ ARG A 23 13.073 13.012 6.030 1.00 0.00 C ATOM 391 NH1 ARG A 23 13.779 11.901 6.278 1.00 0.00 N ATOM 392 NH2 ARG A 23 13.626 14.208 6.207 1.00 0.00 N ATOM 0 H ARG A 23 7.571 10.597 6.693 1.00 0.00 H new ATOM 0 HA ARG A 23 7.583 13.021 8.164 1.00 0.00 H new ATOM 0 HB2 ARG A 23 9.631 13.503 6.962 1.00 0.00 H new ATOM 0 HB3 ARG A 23 9.632 11.879 7.622 1.00 0.00 H new ATOM 0 HG2 ARG A 23 8.998 11.032 5.323 1.00 0.00 H new ATOM 0 HG3 ARG A 23 9.229 12.662 4.722 1.00 0.00 H new ATOM 0 HD2 ARG A 23 11.341 10.975 6.132 1.00 0.00 H new ATOM 0 HD3 ARG A 23 11.263 11.278 4.408 1.00 0.00 H new ATOM 0 HE ARG A 23 11.363 13.815 5.314 1.00 0.00 H new ATOM 0 HH11 ARG A 23 13.362 10.985 6.113 1.00 0.00 H new ATOM 0 HH12 ARG A 23 14.733 11.971 6.632 1.00 0.00 H new ATOM 0 HH21 ARG A 23 13.096 15.052 5.990 1.00 0.00 H new ATOM 0 HH22 ARG A 23 14.580 14.282 6.560 1.00 0.00 H new ATOM 406 N HIS A 24 6.190 13.134 5.300 1.00 0.00 N ATOM 407 CA HIS A 24 5.444 13.989 4.398 1.00 0.00 C ATOM 408 C HIS A 24 4.435 14.846 5.178 1.00 0.00 C ATOM 409 O HIS A 24 4.262 16.033 4.882 1.00 0.00 O ATOM 410 CB HIS A 24 4.721 13.158 3.310 1.00 0.00 C ATOM 411 CG HIS A 24 4.001 13.992 2.255 1.00 0.00 C ATOM 412 ND1 HIS A 24 4.493 14.255 0.986 1.00 0.00 N ATOM 413 CD2 HIS A 24 2.796 14.588 2.299 1.00 0.00 C ATOM 414 CE1 HIS A 24 3.591 14.981 0.330 1.00 0.00 C ATOM 415 NE2 HIS A 24 2.537 15.211 1.079 1.00 0.00 N ATOM 0 H HIS A 24 6.045 12.135 5.151 1.00 0.00 H new ATOM 0 HA HIS A 24 6.153 14.651 3.901 1.00 0.00 H new ATOM 0 HB2 HIS A 24 5.451 12.518 2.814 1.00 0.00 H new ATOM 0 HB3 HIS A 24 3.997 12.501 3.793 1.00 0.00 H new ATOM 0 HD2 HIS A 24 2.131 14.584 3.150 1.00 0.00 H new ATOM 0 HE1 HIS A 24 3.710 15.334 -0.684 1.00 0.00 H new ATOM 0 HE2 HIS A 24 1.702 15.737 0.821 1.00 0.00 H new ATOM 423 N GLY A 25 3.804 14.268 6.186 1.00 0.00 N ATOM 424 CA GLY A 25 2.810 15.024 6.913 1.00 0.00 C ATOM 425 C GLY A 25 1.978 14.200 7.872 1.00 0.00 C ATOM 426 O GLY A 25 1.284 14.759 8.722 1.00 0.00 O ATOM 0 H GLY A 25 3.957 13.312 6.508 1.00 0.00 H new ATOM 0 HA2 GLY A 25 3.310 15.815 7.472 1.00 0.00 H new ATOM 0 HA3 GLY A 25 2.145 15.509 6.198 1.00 0.00 H new ATOM 430 N LEU A 26 2.002 12.894 7.709 1.00 0.00 N ATOM 431 CA LEU A 26 1.280 11.969 8.543 1.00 0.00 C ATOM 432 C LEU A 26 1.566 12.084 10.035 1.00 0.00 C ATOM 433 O LEU A 26 2.690 12.371 10.470 1.00 0.00 O ATOM 434 CB LEU A 26 1.562 10.563 8.085 1.00 0.00 C ATOM 435 CG LEU A 26 0.707 10.026 6.949 1.00 0.00 C ATOM 436 CD1 LEU A 26 0.784 10.850 5.690 1.00 0.00 C ATOM 437 CD2 LEU A 26 1.044 8.598 6.672 1.00 0.00 C ATOM 0 H LEU A 26 2.540 12.439 6.972 1.00 0.00 H new ATOM 0 HA LEU A 26 0.228 12.228 8.428 1.00 0.00 H new ATOM 0 HB2 LEU A 26 2.607 10.509 7.778 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.446 9.898 8.941 1.00 0.00 H new ATOM 0 HG LEU A 26 -0.327 10.095 7.286 1.00 0.00 H new ATOM 0 HD11 LEU A 26 0.148 10.405 4.925 1.00 0.00 H new ATOM 0 HD12 LEU A 26 0.446 11.865 5.898 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.814 10.877 5.335 1.00 0.00 H new ATOM 0 HD21 LEU A 26 0.423 8.229 5.856 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.095 8.520 6.392 1.00 0.00 H new ATOM 0 HD23 LEU A 26 0.861 8.001 7.566 1.00 0.00 H new ATOM 449 N ASP A 27 0.516 11.858 10.795 1.00 0.00 N ATOM 450 CA ASP A 27 0.553 11.822 12.257 1.00 0.00 C ATOM 451 C ASP A 27 1.189 10.509 12.665 1.00 0.00 C ATOM 452 O ASP A 27 1.292 9.599 11.841 1.00 0.00 O ATOM 453 CB ASP A 27 -0.872 11.814 12.843 1.00 0.00 C ATOM 454 CG ASP A 27 -1.775 12.917 12.368 1.00 0.00 C ATOM 455 OD1 ASP A 27 -2.407 12.762 11.292 1.00 0.00 O ATOM 456 OD2 ASP A 27 -1.921 13.928 13.069 1.00 0.00 O ATOM 0 H ASP A 27 -0.414 11.689 10.412 1.00 0.00 H new ATOM 0 HA ASP A 27 1.099 12.694 12.617 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -1.339 10.858 12.604 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -0.799 11.870 13.929 1.00 0.00 H new ATOM 461 N HIS A 28 1.526 10.365 13.931 1.00 0.00 N ATOM 462 CA HIS A 28 2.132 9.120 14.425 1.00 0.00 C ATOM 463 C HIS A 28 1.138 7.978 14.293 1.00 0.00 C ATOM 464 O HIS A 28 1.479 6.885 13.847 1.00 0.00 O ATOM 465 CB HIS A 28 2.573 9.243 15.890 1.00 0.00 C ATOM 466 CG HIS A 28 3.619 10.280 16.146 1.00 0.00 C ATOM 467 ND1 HIS A 28 3.386 11.447 16.835 1.00 0.00 N ATOM 468 CD2 HIS A 28 4.935 10.289 15.836 1.00 0.00 C ATOM 469 CE1 HIS A 28 4.533 12.111 16.928 1.00 0.00 C ATOM 470 NE2 HIS A 28 5.513 11.451 16.336 1.00 0.00 N ATOM 0 H HIS A 28 1.396 11.084 14.643 1.00 0.00 H new ATOM 0 HA HIS A 28 3.017 8.921 13.821 1.00 0.00 H new ATOM 0 HB2 HIS A 28 1.699 9.471 16.500 1.00 0.00 H new ATOM 0 HB3 HIS A 28 2.951 8.276 16.223 1.00 0.00 H new ATOM 0 HD2 HIS A 28 5.454 9.517 15.288 1.00 0.00 H new ATOM 0 HE1 HIS A 28 4.649 13.064 17.422 1.00 0.00 H new ATOM 0 HE2 HIS A 28 6.490 11.735 16.261 1.00 0.00 H new ATOM 478 N ASP A 29 -0.114 8.268 14.632 1.00 0.00 N ATOM 479 CA ASP A 29 -1.198 7.295 14.545 1.00 0.00 C ATOM 480 C ASP A 29 -1.410 6.870 13.111 1.00 0.00 C ATOM 481 O ASP A 29 -1.699 5.712 12.837 1.00 0.00 O ATOM 482 CB ASP A 29 -2.504 7.846 15.137 1.00 0.00 C ATOM 483 CG ASP A 29 -2.416 8.082 16.624 1.00 0.00 C ATOM 484 OD1 ASP A 29 -2.626 7.128 17.404 1.00 0.00 O ATOM 485 OD2 ASP A 29 -2.103 9.222 17.048 1.00 0.00 O ATOM 0 H ASP A 29 -0.406 9.183 14.975 1.00 0.00 H new ATOM 0 HA ASP A 29 -0.908 6.425 15.135 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -2.757 8.782 14.639 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -3.314 7.147 14.932 1.00 0.00 H new ATOM 490 N LYS A 30 -1.211 7.810 12.194 1.00 0.00 N ATOM 491 CA LYS A 30 -1.325 7.540 10.771 1.00 0.00 C ATOM 492 C LYS A 30 -0.269 6.539 10.358 1.00 0.00 C ATOM 493 O LYS A 30 -0.564 5.594 9.664 1.00 0.00 O ATOM 494 CB LYS A 30 -1.140 8.817 9.964 1.00 0.00 C ATOM 495 CG LYS A 30 -2.223 9.851 10.150 1.00 0.00 C ATOM 496 CD LYS A 30 -3.501 9.513 9.414 1.00 0.00 C ATOM 497 CE LYS A 30 -4.558 10.586 9.652 1.00 0.00 C ATOM 498 NZ LYS A 30 -4.070 11.954 9.328 1.00 0.00 N ATOM 0 H LYS A 30 -0.967 8.775 12.417 1.00 0.00 H new ATOM 0 HA LYS A 30 -2.319 7.138 10.576 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -0.182 9.263 10.233 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -1.085 8.556 8.907 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -2.440 9.954 11.213 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -1.857 10.818 9.804 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -3.299 9.424 8.346 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -3.875 8.546 9.749 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -5.437 10.365 9.046 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -4.873 10.555 10.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -4.869 12.620 9.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -3.362 12.246 10.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -3.638 11.953 8.382 1.00 0.00 H new ATOM 512 N VAL A 31 0.954 6.748 10.841 1.00 0.00 N ATOM 513 CA VAL A 31 2.088 5.881 10.528 1.00 0.00 C ATOM 514 C VAL A 31 1.807 4.464 11.026 1.00 0.00 C ATOM 515 O VAL A 31 2.039 3.475 10.313 1.00 0.00 O ATOM 516 CB VAL A 31 3.395 6.415 11.180 1.00 0.00 C ATOM 517 CG1 VAL A 31 4.591 5.551 10.823 1.00 0.00 C ATOM 518 CG2 VAL A 31 3.645 7.852 10.777 1.00 0.00 C ATOM 0 H VAL A 31 1.187 7.524 11.461 1.00 0.00 H new ATOM 0 HA VAL A 31 2.223 5.871 9.446 1.00 0.00 H new ATOM 0 HB VAL A 31 3.263 6.371 12.261 1.00 0.00 H new ATOM 0 HG11 VAL A 31 5.486 5.955 11.296 1.00 0.00 H new ATOM 0 HG12 VAL A 31 4.422 4.533 11.175 1.00 0.00 H new ATOM 0 HG13 VAL A 31 4.725 5.544 9.741 1.00 0.00 H new ATOM 0 HG21 VAL A 31 4.564 8.206 11.244 1.00 0.00 H new ATOM 0 HG22 VAL A 31 3.741 7.914 9.693 1.00 0.00 H new ATOM 0 HG23 VAL A 31 2.810 8.472 11.103 1.00 0.00 H new ATOM 528 N LEU A 32 1.276 4.378 12.231 1.00 0.00 N ATOM 529 CA LEU A 32 0.915 3.108 12.840 1.00 0.00 C ATOM 530 C LEU A 32 -0.144 2.400 12.023 1.00 0.00 C ATOM 531 O LEU A 32 0.055 1.273 11.605 1.00 0.00 O ATOM 532 CB LEU A 32 0.433 3.322 14.272 1.00 0.00 C ATOM 533 CG LEU A 32 1.419 4.029 15.208 1.00 0.00 C ATOM 534 CD1 LEU A 32 0.836 4.155 16.588 1.00 0.00 C ATOM 535 CD2 LEU A 32 2.757 3.303 15.251 1.00 0.00 C ATOM 0 H LEU A 32 1.081 5.189 12.819 1.00 0.00 H new ATOM 0 HA LEU A 32 1.803 2.476 12.864 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -0.490 3.901 14.242 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.186 2.351 14.701 1.00 0.00 H new ATOM 0 HG LEU A 32 1.598 5.030 14.815 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.549 4.659 17.240 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.086 4.735 16.542 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.621 3.163 16.984 1.00 0.00 H new ATOM 0 HD21 LEU A 32 3.435 3.829 15.923 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.607 2.285 15.610 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.188 3.275 14.250 1.00 0.00 H new ATOM 547 N LEU A 33 -1.234 3.082 11.746 1.00 0.00 N ATOM 548 CA LEU A 33 -2.340 2.497 10.992 1.00 0.00 C ATOM 549 C LEU A 33 -1.900 2.119 9.571 1.00 0.00 C ATOM 550 O LEU A 33 -2.227 1.034 9.079 1.00 0.00 O ATOM 551 CB LEU A 33 -3.521 3.469 10.953 1.00 0.00 C ATOM 552 CG LEU A 33 -4.111 3.873 12.313 1.00 0.00 C ATOM 553 CD1 LEU A 33 -5.160 4.958 12.143 1.00 0.00 C ATOM 554 CD2 LEU A 33 -4.703 2.666 13.032 1.00 0.00 C ATOM 0 H LEU A 33 -1.386 4.050 12.031 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.655 1.583 11.496 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.203 4.374 10.435 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -4.314 3.021 10.355 1.00 0.00 H new ATOM 0 HG LEU A 33 -3.301 4.269 12.925 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.565 5.229 13.118 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.705 5.835 11.682 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -5.964 4.590 11.506 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.114 2.980 13.992 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -5.496 2.232 12.422 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -3.923 1.922 13.197 1.00 0.00 H new ATOM 566 N PHE A 34 -1.125 2.999 8.953 1.00 0.00 N ATOM 567 CA PHE A 34 -0.610 2.802 7.604 1.00 0.00 C ATOM 568 C PHE A 34 0.275 1.580 7.526 1.00 0.00 C ATOM 569 O PHE A 34 0.059 0.718 6.689 1.00 0.00 O ATOM 570 CB PHE A 34 0.162 4.049 7.139 1.00 0.00 C ATOM 571 CG PHE A 34 0.838 3.924 5.799 1.00 0.00 C ATOM 572 CD1 PHE A 34 0.103 3.879 4.635 1.00 0.00 C ATOM 573 CD2 PHE A 34 2.216 3.857 5.707 1.00 0.00 C ATOM 574 CE1 PHE A 34 0.723 3.774 3.417 1.00 0.00 C ATOM 575 CE2 PHE A 34 2.830 3.753 4.480 1.00 0.00 C ATOM 576 CZ PHE A 34 2.077 3.717 3.342 1.00 0.00 C ATOM 0 H PHE A 34 -0.833 3.879 9.378 1.00 0.00 H new ATOM 0 HA PHE A 34 -1.461 2.643 6.941 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -0.529 4.891 7.102 1.00 0.00 H new ATOM 0 HB3 PHE A 34 0.917 4.289 7.888 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -0.975 3.927 4.683 1.00 0.00 H new ATOM 0 HD2 PHE A 34 2.815 3.887 6.605 1.00 0.00 H new ATOM 0 HE1 PHE A 34 0.132 3.736 2.514 1.00 0.00 H new ATOM 0 HE2 PHE A 34 3.907 3.700 4.417 1.00 0.00 H new ATOM 0 HZ PHE A 34 2.560 3.643 2.379 1.00 0.00 H new ATOM 586 N SER A 35 1.247 1.496 8.425 1.00 0.00 N ATOM 587 CA SER A 35 2.200 0.407 8.410 1.00 0.00 C ATOM 588 C SER A 35 1.513 -0.939 8.598 1.00 0.00 C ATOM 589 O SER A 35 1.902 -1.922 7.991 1.00 0.00 O ATOM 590 CB SER A 35 3.316 0.636 9.447 1.00 0.00 C ATOM 591 OG SER A 35 2.795 0.851 10.754 1.00 0.00 O ATOM 0 H SER A 35 1.392 2.174 9.174 1.00 0.00 H new ATOM 0 HA SER A 35 2.669 0.386 7.427 1.00 0.00 H new ATOM 0 HB2 SER A 35 3.981 -0.227 9.460 1.00 0.00 H new ATOM 0 HB3 SER A 35 3.916 1.496 9.150 1.00 0.00 H new ATOM 0 HG SER A 35 2.456 1.768 10.824 1.00 0.00 H new ATOM 597 N ARG A 36 0.466 -0.948 9.403 1.00 0.00 N ATOM 598 CA ARG A 36 -0.300 -2.147 9.671 1.00 0.00 C ATOM 599 C ARG A 36 -1.059 -2.602 8.445 1.00 0.00 C ATOM 600 O ARG A 36 -0.942 -3.751 8.025 1.00 0.00 O ATOM 601 CB ARG A 36 -1.273 -1.893 10.801 1.00 0.00 C ATOM 602 CG ARG A 36 -0.607 -1.586 12.106 1.00 0.00 C ATOM 603 CD ARG A 36 -1.616 -1.241 13.173 1.00 0.00 C ATOM 604 NE ARG A 36 -2.598 -2.324 13.357 1.00 0.00 N ATOM 605 CZ ARG A 36 -3.525 -2.374 14.318 1.00 0.00 C ATOM 606 NH1 ARG A 36 -3.526 -1.477 15.298 1.00 0.00 N ATOM 607 NH2 ARG A 36 -4.444 -3.336 14.298 1.00 0.00 N ATOM 0 H ARG A 36 0.124 -0.120 9.890 1.00 0.00 H new ATOM 0 HA ARG A 36 0.398 -2.935 9.953 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -1.923 -1.061 10.530 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -1.910 -2.769 10.925 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -0.017 -2.445 12.426 1.00 0.00 H new ATOM 0 HG3 ARG A 36 0.085 -0.754 11.976 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -1.101 -1.051 14.115 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -2.134 -0.321 12.902 1.00 0.00 H new ATOM 0 HE ARG A 36 -2.568 -3.100 12.696 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -2.816 -0.745 15.320 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -4.236 -1.521 16.029 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -4.439 -4.031 13.551 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -5.154 -3.379 15.029 1.00 0.00 H new ATOM 621 N ASP A 37 -1.802 -1.687 7.862 1.00 0.00 N ATOM 622 CA ASP A 37 -2.654 -1.990 6.707 1.00 0.00 C ATOM 623 C ASP A 37 -1.789 -2.383 5.525 1.00 0.00 C ATOM 624 O ASP A 37 -2.097 -3.315 4.792 1.00 0.00 O ATOM 625 CB ASP A 37 -3.517 -0.765 6.371 1.00 0.00 C ATOM 626 CG ASP A 37 -4.623 -1.033 5.350 1.00 0.00 C ATOM 627 OD1 ASP A 37 -5.465 -1.931 5.590 1.00 0.00 O ATOM 628 OD2 ASP A 37 -4.747 -0.288 4.354 1.00 0.00 O ATOM 0 H ASP A 37 -1.841 -0.714 8.165 1.00 0.00 H new ATOM 0 HA ASP A 37 -3.314 -2.825 6.943 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -3.970 -0.392 7.290 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -2.871 0.026 5.990 1.00 0.00 H new ATOM 633 N LEU A 38 -0.678 -1.691 5.395 1.00 0.00 N ATOM 634 CA LEU A 38 0.305 -1.944 4.362 1.00 0.00 C ATOM 635 C LEU A 38 0.969 -3.292 4.553 1.00 0.00 C ATOM 636 O LEU A 38 1.141 -4.045 3.591 1.00 0.00 O ATOM 637 CB LEU A 38 1.308 -0.795 4.339 1.00 0.00 C ATOM 638 CG LEU A 38 2.561 -0.921 3.480 1.00 0.00 C ATOM 639 CD1 LEU A 38 2.246 -1.350 2.073 1.00 0.00 C ATOM 640 CD2 LEU A 38 3.229 0.410 3.437 1.00 0.00 C ATOM 0 H LEU A 38 -0.427 -0.922 6.016 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.187 -1.989 3.390 1.00 0.00 H new ATOM 0 HB2 LEU A 38 0.776 0.099 4.014 1.00 0.00 H new ATOM 0 HB3 LEU A 38 1.630 -0.619 5.365 1.00 0.00 H new ATOM 0 HG LEU A 38 3.204 -1.683 3.922 1.00 0.00 H new ATOM 0 HD11 LEU A 38 3.170 -1.426 1.500 1.00 0.00 H new ATOM 0 HD12 LEU A 38 1.750 -2.320 2.091 1.00 0.00 H new ATOM 0 HD13 LEU A 38 1.589 -0.615 1.607 1.00 0.00 H new ATOM 0 HD21 LEU A 38 4.130 0.345 2.827 1.00 0.00 H new ATOM 0 HD22 LEU A 38 2.550 1.144 3.004 1.00 0.00 H new ATOM 0 HD23 LEU A 38 3.497 0.716 4.448 1.00 0.00 H new ATOM 652 N ASP A 39 1.321 -3.602 5.786 1.00 0.00 N ATOM 653 CA ASP A 39 1.923 -4.888 6.115 1.00 0.00 C ATOM 654 C ASP A 39 0.977 -6.001 5.714 1.00 0.00 C ATOM 655 O ASP A 39 1.355 -6.929 5.012 1.00 0.00 O ATOM 656 CB ASP A 39 2.223 -4.966 7.614 1.00 0.00 C ATOM 657 CG ASP A 39 2.869 -6.260 8.032 1.00 0.00 C ATOM 658 OD1 ASP A 39 4.103 -6.389 7.878 1.00 0.00 O ATOM 659 OD2 ASP A 39 2.173 -7.145 8.560 1.00 0.00 O ATOM 0 H ASP A 39 1.201 -2.979 6.584 1.00 0.00 H new ATOM 0 HA ASP A 39 2.861 -4.996 5.570 1.00 0.00 H new ATOM 0 HB2 ASP A 39 2.876 -4.138 7.889 1.00 0.00 H new ATOM 0 HB3 ASP A 39 1.294 -4.837 8.169 1.00 0.00 H new ATOM 664 N LYS A 40 -0.273 -5.845 6.094 1.00 0.00 N ATOM 665 CA LYS A 40 -1.306 -6.821 5.798 1.00 0.00 C ATOM 666 C LYS A 40 -1.624 -6.918 4.314 1.00 0.00 C ATOM 667 O LYS A 40 -1.887 -8.009 3.815 1.00 0.00 O ATOM 668 CB LYS A 40 -2.562 -6.612 6.668 1.00 0.00 C ATOM 669 CG LYS A 40 -2.447 -7.234 8.068 1.00 0.00 C ATOM 670 CD LYS A 40 -1.242 -6.718 8.835 1.00 0.00 C ATOM 671 CE LYS A 40 -0.845 -7.641 9.975 1.00 0.00 C ATOM 672 NZ LYS A 40 0.439 -7.220 10.583 1.00 0.00 N ATOM 0 H LYS A 40 -0.605 -5.036 6.619 1.00 0.00 H new ATOM 0 HA LYS A 40 -0.898 -7.794 6.070 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -2.751 -5.543 6.768 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -3.424 -7.042 6.158 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -3.353 -7.019 8.634 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -2.379 -8.318 7.976 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -0.400 -6.606 8.152 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -1.464 -5.728 9.233 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -1.627 -7.642 10.734 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -0.758 -8.663 9.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 0.634 -7.804 11.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 1.206 -7.339 9.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 0.379 -6.221 10.864 1.00 0.00 H new ATOM 686 N LEU A 41 -1.585 -5.795 3.608 1.00 0.00 N ATOM 687 CA LEU A 41 -1.761 -5.808 2.158 1.00 0.00 C ATOM 688 C LEU A 41 -0.640 -6.605 1.509 1.00 0.00 C ATOM 689 O LEU A 41 -0.872 -7.411 0.597 1.00 0.00 O ATOM 690 CB LEU A 41 -1.794 -4.391 1.569 1.00 0.00 C ATOM 691 CG LEU A 41 -1.879 -4.321 0.034 1.00 0.00 C ATOM 692 CD1 LEU A 41 -3.141 -4.987 -0.475 1.00 0.00 C ATOM 693 CD2 LEU A 41 -1.801 -2.893 -0.455 1.00 0.00 C ATOM 0 H LEU A 41 -1.434 -4.870 4.010 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.722 -6.277 1.949 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -2.648 -3.860 1.989 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -0.899 -3.860 1.892 1.00 0.00 H new ATOM 0 HG LEU A 41 -1.022 -4.864 -0.365 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -3.174 -4.922 -1.563 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -3.146 -6.035 -0.174 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -4.012 -4.484 -0.055 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -1.864 -2.877 -1.543 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -2.627 -2.319 -0.035 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -0.856 -2.452 -0.140 1.00 0.00 H new ATOM 705 N ILE A 42 0.561 -6.393 1.992 1.00 0.00 N ATOM 706 CA ILE A 42 1.705 -7.107 1.499 1.00 0.00 C ATOM 707 C ILE A 42 1.585 -8.586 1.823 1.00 0.00 C ATOM 708 O ILE A 42 1.649 -9.404 0.925 1.00 0.00 O ATOM 709 CB ILE A 42 3.046 -6.488 2.004 1.00 0.00 C ATOM 710 CG1 ILE A 42 3.222 -5.107 1.365 1.00 0.00 C ATOM 711 CG2 ILE A 42 4.243 -7.386 1.689 1.00 0.00 C ATOM 712 CD1 ILE A 42 4.473 -4.373 1.768 1.00 0.00 C ATOM 0 H ILE A 42 0.768 -5.724 2.733 1.00 0.00 H new ATOM 0 HA ILE A 42 1.726 -7.008 0.414 1.00 0.00 H new ATOM 0 HB ILE A 42 3.002 -6.394 3.089 1.00 0.00 H new ATOM 0 HG12 ILE A 42 3.220 -5.222 0.281 1.00 0.00 H new ATOM 0 HG13 ILE A 42 2.359 -4.492 1.622 1.00 0.00 H new ATOM 0 HG21 ILE A 42 5.156 -6.918 2.057 1.00 0.00 H new ATOM 0 HG22 ILE A 42 4.110 -8.353 2.174 1.00 0.00 H new ATOM 0 HG23 ILE A 42 4.318 -7.528 0.611 1.00 0.00 H new ATOM 0 HD11 ILE A 42 4.507 -3.407 1.264 1.00 0.00 H new ATOM 0 HD12 ILE A 42 4.473 -4.219 2.847 1.00 0.00 H new ATOM 0 HD13 ILE A 42 5.347 -4.960 1.485 1.00 0.00 H new ATOM 724 N ASN A 43 1.310 -8.918 3.083 1.00 0.00 N ATOM 725 CA ASN A 43 1.157 -10.330 3.519 1.00 0.00 C ATOM 726 C ASN A 43 0.064 -11.036 2.711 1.00 0.00 C ATOM 727 O ASN A 43 0.148 -12.242 2.447 1.00 0.00 O ATOM 728 CB ASN A 43 0.804 -10.439 5.013 1.00 0.00 C ATOM 729 CG ASN A 43 1.816 -9.806 5.961 1.00 0.00 C ATOM 730 OD1 ASN A 43 3.024 -9.736 5.683 1.00 0.00 O ATOM 731 ND2 ASN A 43 1.334 -9.358 7.095 1.00 0.00 N ATOM 0 H ASN A 43 1.186 -8.236 3.831 1.00 0.00 H new ATOM 0 HA ASN A 43 2.120 -10.810 3.347 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -0.167 -9.971 5.177 1.00 0.00 H new ATOM 0 HB3 ASN A 43 0.698 -11.493 5.270 1.00 0.00 H new ATOM 0 HD21 ASN A 43 1.958 -8.935 7.783 1.00 0.00 H new ATOM 0 HD22 ASN A 43 0.335 -9.432 7.290 1.00 0.00 H new ATOM 738 N LYS A 44 -0.948 -10.268 2.318 1.00 0.00 N ATOM 739 CA LYS A 44 -2.068 -10.744 1.512 1.00 0.00 C ATOM 740 C LYS A 44 -1.573 -11.265 0.159 1.00 0.00 C ATOM 741 O LYS A 44 -1.891 -12.374 -0.236 1.00 0.00 O ATOM 742 CB LYS A 44 -3.047 -9.588 1.284 1.00 0.00 C ATOM 743 CG LYS A 44 -4.316 -9.937 0.510 1.00 0.00 C ATOM 744 CD LYS A 44 -5.063 -8.682 0.085 1.00 0.00 C ATOM 745 CE LYS A 44 -5.493 -7.826 1.274 1.00 0.00 C ATOM 746 NZ LYS A 44 -6.494 -8.491 2.137 1.00 0.00 N ATOM 0 H LYS A 44 -1.014 -9.278 2.555 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.564 -11.558 2.040 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -3.335 -9.184 2.254 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -2.525 -8.794 0.750 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -4.058 -10.526 -0.370 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -4.964 -10.557 1.129 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -4.427 -8.090 -0.573 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -5.943 -8.965 -0.492 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -4.616 -7.577 1.871 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -5.906 -6.886 0.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -6.758 -7.855 2.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -7.339 -8.721 1.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -6.089 -9.366 2.527 1.00 0.00 H new ATOM 760 N PHE A 45 -0.769 -10.471 -0.519 1.00 0.00 N ATOM 761 CA PHE A 45 -0.241 -10.842 -1.832 1.00 0.00 C ATOM 762 C PHE A 45 0.917 -11.784 -1.727 1.00 0.00 C ATOM 763 O PHE A 45 1.090 -12.673 -2.558 1.00 0.00 O ATOM 764 CB PHE A 45 0.134 -9.609 -2.646 1.00 0.00 C ATOM 765 CG PHE A 45 -1.049 -8.980 -3.295 1.00 0.00 C ATOM 766 CD1 PHE A 45 -1.805 -8.026 -2.637 1.00 0.00 C ATOM 767 CD2 PHE A 45 -1.420 -9.369 -4.566 1.00 0.00 C ATOM 768 CE1 PHE A 45 -2.909 -7.468 -3.244 1.00 0.00 C ATOM 769 CE2 PHE A 45 -2.520 -8.822 -5.172 1.00 0.00 C ATOM 770 CZ PHE A 45 -3.268 -7.868 -4.512 1.00 0.00 C ATOM 0 H PHE A 45 -0.461 -9.557 -0.186 1.00 0.00 H new ATOM 0 HA PHE A 45 -1.039 -11.366 -2.357 1.00 0.00 H new ATOM 0 HB2 PHE A 45 0.619 -8.881 -1.996 1.00 0.00 H new ATOM 0 HB3 PHE A 45 0.860 -9.888 -3.410 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -1.528 -7.716 -1.640 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -0.837 -10.113 -5.089 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -3.491 -6.719 -2.727 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -2.802 -9.137 -6.166 1.00 0.00 H new ATOM 0 HZ PHE A 45 -4.135 -7.435 -4.990 1.00 0.00 H new ATOM 780 N MET A 46 1.670 -11.628 -0.683 1.00 0.00 N ATOM 781 CA MET A 46 2.851 -12.425 -0.449 1.00 0.00 C ATOM 782 C MET A 46 2.501 -13.831 0.018 1.00 0.00 C ATOM 783 O MET A 46 3.389 -14.693 0.116 1.00 0.00 O ATOM 784 CB MET A 46 3.743 -11.739 0.572 1.00 0.00 C ATOM 785 CG MET A 46 4.324 -10.436 0.073 1.00 0.00 C ATOM 786 SD MET A 46 5.446 -10.662 -1.288 1.00 0.00 S ATOM 787 CE MET A 46 6.735 -11.515 -0.436 1.00 0.00 C ATOM 0 H MET A 46 1.486 -10.937 0.044 1.00 0.00 H new ATOM 0 HA MET A 46 3.385 -12.518 -1.395 1.00 0.00 H new ATOM 0 HB2 MET A 46 3.168 -11.550 1.479 1.00 0.00 H new ATOM 0 HB3 MET A 46 4.556 -12.411 0.845 1.00 0.00 H new ATOM 0 HG2 MET A 46 3.513 -9.776 -0.235 1.00 0.00 H new ATOM 0 HG3 MET A 46 4.846 -9.939 0.891 1.00 0.00 H new ATOM 0 HE1 MET A 46 7.702 -11.195 -0.824 1.00 0.00 H new ATOM 0 HE2 MET A 46 6.679 -11.289 0.629 1.00 0.00 H new ATOM 0 HE3 MET A 46 6.622 -12.589 -0.586 1.00 0.00 H new ATOM 1151 N LEU B 6 9.714 14.749 -2.339 1.00 0.00 N ATOM 1152 CA LEU B 6 9.505 13.826 -1.255 1.00 0.00 C ATOM 1153 C LEU B 6 8.463 12.806 -1.686 1.00 0.00 C ATOM 1154 O LEU B 6 8.673 11.609 -1.565 1.00 0.00 O ATOM 1155 CB LEU B 6 9.096 14.604 0.035 1.00 0.00 C ATOM 1156 CG LEU B 6 8.869 13.817 1.351 1.00 0.00 C ATOM 1157 CD1 LEU B 6 7.541 13.111 1.371 1.00 0.00 C ATOM 1158 CD2 LEU B 6 9.994 12.831 1.611 1.00 0.00 C ATOM 0 HA LEU B 6 10.423 13.289 -1.014 1.00 0.00 H new ATOM 0 HB2 LEU B 6 9.867 15.350 0.227 1.00 0.00 H new ATOM 0 HB3 LEU B 6 8.177 15.146 -0.186 1.00 0.00 H new ATOM 0 HG LEU B 6 8.864 14.555 2.153 1.00 0.00 H new ATOM 0 HD11 LEU B 6 7.429 12.574 2.313 1.00 0.00 H new ATOM 0 HD12 LEU B 6 6.739 13.842 1.272 1.00 0.00 H new ATOM 0 HD13 LEU B 6 7.492 12.404 0.542 1.00 0.00 H new ATOM 0 HD21 LEU B 6 9.802 12.297 2.542 1.00 0.00 H new ATOM 0 HD22 LEU B 6 10.050 12.118 0.788 1.00 0.00 H new ATOM 0 HD23 LEU B 6 10.939 13.369 1.690 1.00 0.00 H new ATOM 1170 N LYS B 7 7.370 13.298 -2.249 1.00 0.00 N ATOM 1171 CA LYS B 7 6.281 12.451 -2.709 1.00 0.00 C ATOM 1172 C LYS B 7 6.743 11.612 -3.882 1.00 0.00 C ATOM 1173 O LYS B 7 6.341 10.467 -4.034 1.00 0.00 O ATOM 1174 CB LYS B 7 5.093 13.308 -3.118 1.00 0.00 C ATOM 1175 CG LYS B 7 3.732 12.789 -2.623 1.00 0.00 C ATOM 1176 CD LYS B 7 3.206 11.536 -3.349 1.00 0.00 C ATOM 1177 CE LYS B 7 2.850 11.811 -4.807 1.00 0.00 C ATOM 1178 NZ LYS B 7 2.140 10.666 -5.429 1.00 0.00 N ATOM 0 H LYS B 7 7.213 14.295 -2.400 1.00 0.00 H new ATOM 0 HA LYS B 7 5.977 11.790 -1.897 1.00 0.00 H new ATOM 0 HB2 LYS B 7 5.242 14.319 -2.738 1.00 0.00 H new ATOM 0 HB3 LYS B 7 5.068 13.377 -4.206 1.00 0.00 H new ATOM 0 HG2 LYS B 7 3.811 12.567 -1.559 1.00 0.00 H new ATOM 0 HG3 LYS B 7 2.996 13.586 -2.729 1.00 0.00 H new ATOM 0 HD2 LYS B 7 3.961 10.751 -3.305 1.00 0.00 H new ATOM 0 HD3 LYS B 7 2.325 11.161 -2.828 1.00 0.00 H new ATOM 0 HE2 LYS B 7 2.224 12.702 -4.866 1.00 0.00 H new ATOM 0 HE3 LYS B 7 3.760 12.023 -5.369 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 2.170 10.760 -6.464 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 2.602 9.777 -5.149 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 1.150 10.657 -5.111 1.00 0.00 H new ATOM 1192 N ASN B 8 7.595 12.180 -4.694 1.00 0.00 N ATOM 1193 CA ASN B 8 8.144 11.466 -5.824 1.00 0.00 C ATOM 1194 C ASN B 8 9.100 10.371 -5.370 1.00 0.00 C ATOM 1195 O ASN B 8 9.196 9.319 -6.012 1.00 0.00 O ATOM 1196 CB ASN B 8 8.788 12.405 -6.835 1.00 0.00 C ATOM 1197 CG ASN B 8 7.777 13.316 -7.522 1.00 0.00 C ATOM 1198 OD1 ASN B 8 6.604 12.958 -7.701 1.00 0.00 O ATOM 1199 ND2 ASN B 8 8.211 14.478 -7.936 1.00 0.00 N ATOM 0 H ASN B 8 7.927 13.139 -4.596 1.00 0.00 H new ATOM 0 HA ASN B 8 7.314 10.981 -6.339 1.00 0.00 H new ATOM 0 HB2 ASN B 8 9.537 13.016 -6.331 1.00 0.00 H new ATOM 0 HB3 ASN B 8 9.311 11.817 -7.589 1.00 0.00 H new ATOM 0 HD21 ASN B 8 7.579 15.116 -8.420 1.00 0.00 H new ATOM 0 HD22 ASN B 8 9.182 14.747 -7.775 1.00 0.00 H new ATOM 1206 N LYS B 9 9.790 10.599 -4.251 1.00 0.00 N ATOM 1207 CA LYS B 9 10.606 9.550 -3.656 1.00 0.00 C ATOM 1208 C LYS B 9 9.720 8.475 -3.062 1.00 0.00 C ATOM 1209 O LYS B 9 10.074 7.307 -3.073 1.00 0.00 O ATOM 1210 CB LYS B 9 11.601 10.071 -2.612 1.00 0.00 C ATOM 1211 CG LYS B 9 12.829 10.741 -3.206 1.00 0.00 C ATOM 1212 CD LYS B 9 13.854 11.095 -2.131 1.00 0.00 C ATOM 1213 CE LYS B 9 13.419 12.275 -1.262 1.00 0.00 C ATOM 1214 NZ LYS B 9 13.409 13.539 -2.026 1.00 0.00 N ATOM 0 H LYS B 9 9.798 11.487 -3.749 1.00 0.00 H new ATOM 0 HA LYS B 9 11.207 9.126 -4.460 1.00 0.00 H new ATOM 0 HB2 LYS B 9 11.091 10.782 -1.962 1.00 0.00 H new ATOM 0 HB3 LYS B 9 11.922 9.239 -1.985 1.00 0.00 H new ATOM 0 HG2 LYS B 9 13.286 10.078 -3.940 1.00 0.00 H new ATOM 0 HG3 LYS B 9 12.530 11.645 -3.736 1.00 0.00 H new ATOM 0 HD2 LYS B 9 14.023 10.225 -1.496 1.00 0.00 H new ATOM 0 HD3 LYS B 9 14.806 11.332 -2.607 1.00 0.00 H new ATOM 0 HE2 LYS B 9 12.424 12.084 -0.860 1.00 0.00 H new ATOM 0 HE3 LYS B 9 14.094 12.369 -0.411 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 13.310 14.340 -1.370 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 14.300 13.632 -2.555 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 12.610 13.536 -2.692 1.00 0.00 H new ATOM 1228 N ILE B 10 8.571 8.886 -2.544 1.00 0.00 N ATOM 1229 CA ILE B 10 7.547 7.966 -2.051 1.00 0.00 C ATOM 1230 C ILE B 10 7.114 7.041 -3.183 1.00 0.00 C ATOM 1231 O ILE B 10 7.086 5.823 -3.016 1.00 0.00 O ATOM 1232 CB ILE B 10 6.326 8.747 -1.475 1.00 0.00 C ATOM 1233 CG1 ILE B 10 6.743 9.455 -0.184 1.00 0.00 C ATOM 1234 CG2 ILE B 10 5.111 7.843 -1.256 1.00 0.00 C ATOM 1235 CD1 ILE B 10 5.673 10.300 0.456 1.00 0.00 C ATOM 0 H ILE B 10 8.319 9.870 -2.452 1.00 0.00 H new ATOM 0 HA ILE B 10 7.965 7.369 -1.241 1.00 0.00 H new ATOM 0 HB ILE B 10 6.016 9.493 -2.207 1.00 0.00 H new ATOM 0 HG12 ILE B 10 7.069 8.704 0.535 1.00 0.00 H new ATOM 0 HG13 ILE B 10 7.605 10.088 -0.397 1.00 0.00 H new ATOM 0 HG21 ILE B 10 4.287 8.432 -0.854 1.00 0.00 H new ATOM 0 HG22 ILE B 10 4.811 7.400 -2.206 1.00 0.00 H new ATOM 0 HG23 ILE B 10 5.368 7.052 -0.552 1.00 0.00 H new ATOM 0 HD11 ILE B 10 6.066 10.759 1.363 1.00 0.00 H new ATOM 0 HD12 ILE B 10 5.361 11.079 -0.239 1.00 0.00 H new ATOM 0 HD13 ILE B 10 4.817 9.674 0.708 1.00 0.00 H new ATOM 1247 N GLU B 11 6.821 7.640 -4.338 1.00 0.00 N ATOM 1248 CA GLU B 11 6.485 6.906 -5.556 1.00 0.00 C ATOM 1249 C GLU B 11 7.571 5.909 -5.875 1.00 0.00 C ATOM 1250 O GLU B 11 7.314 4.722 -6.021 1.00 0.00 O ATOM 1251 CB GLU B 11 6.343 7.869 -6.733 1.00 0.00 C ATOM 1252 CG GLU B 11 5.200 8.847 -6.610 1.00 0.00 C ATOM 1253 CD GLU B 11 3.882 8.152 -6.562 1.00 0.00 C ATOM 1254 OE1 GLU B 11 3.475 7.534 -7.577 1.00 0.00 O ATOM 1255 OE2 GLU B 11 3.209 8.222 -5.539 1.00 0.00 O ATOM 0 H GLU B 11 6.810 8.653 -4.454 1.00 0.00 H new ATOM 0 HA GLU B 11 5.541 6.386 -5.392 1.00 0.00 H new ATOM 0 HB2 GLU B 11 7.272 8.428 -6.842 1.00 0.00 H new ATOM 0 HB3 GLU B 11 6.211 7.289 -7.646 1.00 0.00 H new ATOM 0 HG2 GLU B 11 5.329 9.446 -5.708 1.00 0.00 H new ATOM 0 HG3 GLU B 11 5.218 9.536 -7.455 1.00 0.00 H new ATOM 1262 N ASN B 12 8.780 6.402 -5.928 1.00 0.00 N ATOM 1263 CA ASN B 12 9.947 5.608 -6.254 1.00 0.00 C ATOM 1264 C ASN B 12 10.166 4.459 -5.265 1.00 0.00 C ATOM 1265 O ASN B 12 10.446 3.343 -5.670 1.00 0.00 O ATOM 1266 CB ASN B 12 11.181 6.517 -6.350 1.00 0.00 C ATOM 1267 CG ASN B 12 12.468 5.762 -6.584 1.00 0.00 C ATOM 1268 OD1 ASN B 12 12.825 5.451 -7.715 1.00 0.00 O ATOM 1269 ND2 ASN B 12 13.191 5.520 -5.542 1.00 0.00 N ATOM 0 H ASN B 12 8.991 7.383 -5.744 1.00 0.00 H new ATOM 0 HA ASN B 12 9.778 5.140 -7.224 1.00 0.00 H new ATOM 0 HB2 ASN B 12 11.035 7.230 -7.161 1.00 0.00 H new ATOM 0 HB3 ASN B 12 11.270 7.094 -5.430 1.00 0.00 H new ATOM 0 HD21 ASN B 12 14.093 5.055 -5.644 1.00 0.00 H new ATOM 0 HD22 ASN B 12 12.860 5.794 -4.617 1.00 0.00 H new ATOM 1276 N LYS B 13 9.985 4.732 -3.985 1.00 0.00 N ATOM 1277 CA LYS B 13 10.205 3.738 -2.936 1.00 0.00 C ATOM 1278 C LYS B 13 9.128 2.653 -2.998 1.00 0.00 C ATOM 1279 O LYS B 13 9.415 1.464 -2.850 1.00 0.00 O ATOM 1280 CB LYS B 13 10.200 4.417 -1.570 1.00 0.00 C ATOM 1281 CG LYS B 13 10.766 3.570 -0.441 1.00 0.00 C ATOM 1282 CD LYS B 13 12.232 3.225 -0.669 1.00 0.00 C ATOM 1283 CE LYS B 13 13.106 4.461 -0.814 1.00 0.00 C ATOM 1284 NZ LYS B 13 14.516 4.105 -1.020 1.00 0.00 N ATOM 0 H LYS B 13 9.683 5.643 -3.639 1.00 0.00 H new ATOM 0 HA LYS B 13 11.176 3.267 -3.091 1.00 0.00 H new ATOM 0 HB2 LYS B 13 10.774 5.341 -1.636 1.00 0.00 H new ATOM 0 HB3 LYS B 13 9.176 4.695 -1.320 1.00 0.00 H new ATOM 0 HG2 LYS B 13 10.662 4.106 0.502 1.00 0.00 H new ATOM 0 HG3 LYS B 13 10.187 2.651 -0.351 1.00 0.00 H new ATOM 0 HD2 LYS B 13 12.594 2.624 0.165 1.00 0.00 H new ATOM 0 HD3 LYS B 13 12.322 2.613 -1.566 1.00 0.00 H new ATOM 0 HE2 LYS B 13 12.755 5.059 -1.655 1.00 0.00 H new ATOM 0 HE3 LYS B 13 13.013 5.080 0.078 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 15.096 4.968 -1.013 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 14.829 3.471 -0.257 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 14.622 3.624 -1.936 1.00 0.00 H new ATOM 1298 N LYS B 14 7.896 3.096 -3.211 1.00 0.00 N ATOM 1299 CA LYS B 14 6.743 2.250 -3.435 1.00 0.00 C ATOM 1300 C LYS B 14 7.051 1.298 -4.584 1.00 0.00 C ATOM 1301 O LYS B 14 6.896 0.093 -4.464 1.00 0.00 O ATOM 1302 CB LYS B 14 5.558 3.170 -3.801 1.00 0.00 C ATOM 1303 CG LYS B 14 4.237 2.493 -4.140 1.00 0.00 C ATOM 1304 CD LYS B 14 3.148 3.529 -4.476 1.00 0.00 C ATOM 1305 CE LYS B 14 3.458 4.280 -5.757 1.00 0.00 C ATOM 1306 NZ LYS B 14 2.486 5.381 -6.034 1.00 0.00 N ATOM 0 H LYS B 14 7.670 4.090 -3.232 1.00 0.00 H new ATOM 0 HA LYS B 14 6.498 1.662 -2.550 1.00 0.00 H new ATOM 0 HB2 LYS B 14 5.386 3.849 -2.966 1.00 0.00 H new ATOM 0 HB3 LYS B 14 5.854 3.781 -4.654 1.00 0.00 H new ATOM 0 HG2 LYS B 14 4.377 1.821 -4.987 1.00 0.00 H new ATOM 0 HG3 LYS B 14 3.913 1.881 -3.298 1.00 0.00 H new ATOM 0 HD2 LYS B 14 2.186 3.026 -4.574 1.00 0.00 H new ATOM 0 HD3 LYS B 14 3.055 4.238 -3.653 1.00 0.00 H new ATOM 0 HE2 LYS B 14 4.463 4.697 -5.694 1.00 0.00 H new ATOM 0 HE3 LYS B 14 3.455 3.580 -6.593 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 2.746 5.859 -6.920 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 1.529 4.985 -6.123 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 2.506 6.066 -5.252 1.00 0.00 H new ATOM 1320 N LYS B 15 7.542 1.864 -5.671 1.00 0.00 N ATOM 1321 CA LYS B 15 7.900 1.109 -6.858 1.00 0.00 C ATOM 1322 C LYS B 15 9.054 0.127 -6.582 1.00 0.00 C ATOM 1323 O LYS B 15 9.012 -1.026 -7.039 1.00 0.00 O ATOM 1324 CB LYS B 15 8.204 2.061 -8.016 1.00 0.00 C ATOM 1325 CG LYS B 15 6.981 2.883 -8.432 1.00 0.00 C ATOM 1326 CD LYS B 15 7.304 3.978 -9.441 1.00 0.00 C ATOM 1327 CE LYS B 15 7.774 3.425 -10.786 1.00 0.00 C ATOM 1328 NZ LYS B 15 6.758 2.562 -11.438 1.00 0.00 N ATOM 0 H LYS B 15 7.705 2.867 -5.756 1.00 0.00 H new ATOM 0 HA LYS B 15 7.048 0.495 -7.149 1.00 0.00 H new ATOM 0 HB2 LYS B 15 9.010 2.735 -7.727 1.00 0.00 H new ATOM 0 HB3 LYS B 15 8.560 1.487 -8.871 1.00 0.00 H new ATOM 0 HG2 LYS B 15 6.232 2.216 -8.858 1.00 0.00 H new ATOM 0 HG3 LYS B 15 6.538 3.336 -7.545 1.00 0.00 H new ATOM 0 HD2 LYS B 15 6.419 4.595 -9.596 1.00 0.00 H new ATOM 0 HD3 LYS B 15 8.077 4.627 -9.030 1.00 0.00 H new ATOM 0 HE2 LYS B 15 8.020 4.254 -11.449 1.00 0.00 H new ATOM 0 HE3 LYS B 15 8.690 2.853 -10.639 1.00 0.00 H new ATOM 0 HZ1 LYS B 15 7.054 2.353 -12.413 1.00 0.00 H new ATOM 0 HZ2 LYS B 15 6.665 1.673 -10.906 1.00 0.00 H new ATOM 0 HZ3 LYS B 15 5.842 3.054 -11.453 1.00 0.00 H new ATOM 1342 N GLU B 16 10.061 0.578 -5.803 1.00 0.00 N ATOM 1343 CA GLU B 16 11.177 -0.290 -5.367 1.00 0.00 C ATOM 1344 C GLU B 16 10.644 -1.516 -4.649 1.00 0.00 C ATOM 1345 O GLU B 16 11.124 -2.641 -4.849 1.00 0.00 O ATOM 1346 CB GLU B 16 12.140 0.421 -4.396 1.00 0.00 C ATOM 1347 CG GLU B 16 13.042 1.496 -4.962 1.00 0.00 C ATOM 1348 CD GLU B 16 14.070 1.919 -3.928 1.00 0.00 C ATOM 1349 OE1 GLU B 16 14.888 1.065 -3.510 1.00 0.00 O ATOM 1350 OE2 GLU B 16 14.073 3.079 -3.473 1.00 0.00 O ATOM 0 H GLU B 16 10.124 1.538 -5.463 1.00 0.00 H new ATOM 0 HA GLU B 16 11.717 -0.560 -6.275 1.00 0.00 H new ATOM 0 HB2 GLU B 16 11.544 0.868 -3.600 1.00 0.00 H new ATOM 0 HB3 GLU B 16 12.772 -0.338 -3.934 1.00 0.00 H new ATOM 0 HG2 GLU B 16 13.545 1.125 -5.855 1.00 0.00 H new ATOM 0 HG3 GLU B 16 12.447 2.357 -5.266 1.00 0.00 H new ATOM 1357 N LEU B 17 9.652 -1.286 -3.826 1.00 0.00 N ATOM 1358 CA LEU B 17 9.045 -2.315 -3.035 1.00 0.00 C ATOM 1359 C LEU B 17 8.233 -3.260 -3.888 1.00 0.00 C ATOM 1360 O LEU B 17 8.284 -4.479 -3.678 1.00 0.00 O ATOM 1361 CB LEU B 17 8.231 -1.677 -1.877 1.00 0.00 C ATOM 1362 CG LEU B 17 7.245 -2.549 -1.081 1.00 0.00 C ATOM 1363 CD1 LEU B 17 5.949 -2.733 -1.806 1.00 0.00 C ATOM 1364 CD2 LEU B 17 7.859 -3.869 -0.647 1.00 0.00 C ATOM 0 H LEU B 17 9.241 -0.363 -3.688 1.00 0.00 H new ATOM 0 HA LEU B 17 9.824 -2.929 -2.582 1.00 0.00 H new ATOM 0 HB2 LEU B 17 8.944 -1.258 -1.167 1.00 0.00 H new ATOM 0 HB3 LEU B 17 7.668 -0.842 -2.294 1.00 0.00 H new ATOM 0 HG LEU B 17 7.016 -2.005 -0.165 1.00 0.00 H new ATOM 0 HD11 LEU B 17 5.283 -3.355 -1.208 1.00 0.00 H new ATOM 0 HD12 LEU B 17 5.485 -1.761 -1.974 1.00 0.00 H new ATOM 0 HD13 LEU B 17 6.134 -3.217 -2.765 1.00 0.00 H new ATOM 0 HD21 LEU B 17 7.122 -4.447 -0.089 1.00 0.00 H new ATOM 0 HD22 LEU B 17 8.171 -4.432 -1.527 1.00 0.00 H new ATOM 0 HD23 LEU B 17 8.725 -3.677 -0.013 1.00 0.00 H new ATOM 1376 N ILE B 18 7.489 -2.722 -4.834 1.00 0.00 N ATOM 1377 CA ILE B 18 6.657 -3.550 -5.683 1.00 0.00 C ATOM 1378 C ILE B 18 7.530 -4.562 -6.404 1.00 0.00 C ATOM 1379 O ILE B 18 7.215 -5.737 -6.458 1.00 0.00 O ATOM 1380 CB ILE B 18 5.863 -2.726 -6.725 1.00 0.00 C ATOM 1381 CG1 ILE B 18 4.985 -1.705 -6.014 1.00 0.00 C ATOM 1382 CG2 ILE B 18 4.999 -3.665 -7.580 1.00 0.00 C ATOM 1383 CD1 ILE B 18 4.373 -0.661 -6.918 1.00 0.00 C ATOM 0 H ILE B 18 7.443 -1.723 -5.033 1.00 0.00 H new ATOM 0 HA ILE B 18 5.931 -4.049 -5.042 1.00 0.00 H new ATOM 0 HB ILE B 18 6.561 -2.199 -7.375 1.00 0.00 H new ATOM 0 HG12 ILE B 18 4.184 -2.233 -5.496 1.00 0.00 H new ATOM 0 HG13 ILE B 18 5.580 -1.202 -5.252 1.00 0.00 H new ATOM 0 HG21 ILE B 18 4.442 -3.081 -8.312 1.00 0.00 H new ATOM 0 HG22 ILE B 18 5.640 -4.379 -8.097 1.00 0.00 H new ATOM 0 HG23 ILE B 18 4.301 -4.203 -6.938 1.00 0.00 H new ATOM 0 HD11 ILE B 18 3.765 0.022 -6.325 1.00 0.00 H new ATOM 0 HD12 ILE B 18 5.165 -0.102 -7.417 1.00 0.00 H new ATOM 0 HD13 ILE B 18 3.747 -1.149 -7.665 1.00 0.00 H new ATOM 1395 N GLN B 19 8.667 -4.093 -6.891 1.00 0.00 N ATOM 1396 CA GLN B 19 9.623 -4.939 -7.575 1.00 0.00 C ATOM 1397 C GLN B 19 10.212 -6.001 -6.631 1.00 0.00 C ATOM 1398 O GLN B 19 10.654 -7.051 -7.076 1.00 0.00 O ATOM 1399 CB GLN B 19 10.734 -4.098 -8.184 1.00 0.00 C ATOM 1400 CG GLN B 19 10.280 -3.141 -9.266 1.00 0.00 C ATOM 1401 CD GLN B 19 11.410 -2.277 -9.786 1.00 0.00 C ATOM 1402 OE1 GLN B 19 12.362 -1.953 -9.061 1.00 0.00 O ATOM 1403 NE2 GLN B 19 11.328 -1.891 -11.034 1.00 0.00 N ATOM 0 H GLN B 19 8.950 -3.116 -6.822 1.00 0.00 H new ATOM 0 HA GLN B 19 9.095 -5.460 -8.374 1.00 0.00 H new ATOM 0 HB2 GLN B 19 11.216 -3.526 -7.391 1.00 0.00 H new ATOM 0 HB3 GLN B 19 11.489 -4.764 -8.600 1.00 0.00 H new ATOM 0 HG2 GLN B 19 9.851 -3.708 -10.092 1.00 0.00 H new ATOM 0 HG3 GLN B 19 9.489 -2.502 -8.873 1.00 0.00 H new ATOM 0 HE21 GLN B 19 10.531 -2.175 -11.604 1.00 0.00 H new ATOM 0 HE22 GLN B 19 12.061 -1.306 -11.436 1.00 0.00 H new ATOM 1412 N LEU B 20 10.206 -5.732 -5.333 1.00 0.00 N ATOM 1413 CA LEU B 20 10.707 -6.684 -4.355 1.00 0.00 C ATOM 1414 C LEU B 20 9.707 -7.802 -4.107 1.00 0.00 C ATOM 1415 O LEU B 20 10.062 -8.975 -4.229 1.00 0.00 O ATOM 1416 CB LEU B 20 11.127 -6.018 -3.042 1.00 0.00 C ATOM 1417 CG LEU B 20 12.358 -5.111 -3.100 1.00 0.00 C ATOM 1418 CD1 LEU B 20 12.612 -4.496 -1.744 1.00 0.00 C ATOM 1419 CD2 LEU B 20 13.588 -5.891 -3.552 1.00 0.00 C ATOM 0 H LEU B 20 9.859 -4.860 -4.933 1.00 0.00 H new ATOM 0 HA LEU B 20 11.607 -7.122 -4.785 1.00 0.00 H new ATOM 0 HB2 LEU B 20 10.287 -5.429 -2.674 1.00 0.00 H new ATOM 0 HB3 LEU B 20 11.314 -6.801 -2.307 1.00 0.00 H new ATOM 0 HG LEU B 20 12.165 -4.320 -3.825 1.00 0.00 H new ATOM 0 HD11 LEU B 20 13.490 -3.852 -1.795 1.00 0.00 H new ATOM 0 HD12 LEU B 20 11.746 -3.906 -1.444 1.00 0.00 H new ATOM 0 HD13 LEU B 20 12.783 -5.286 -1.013 1.00 0.00 H new ATOM 0 HD21 LEU B 20 14.450 -5.224 -3.585 1.00 0.00 H new ATOM 0 HD22 LEU B 20 13.783 -6.702 -2.850 1.00 0.00 H new ATOM 0 HD23 LEU B 20 13.412 -6.305 -4.545 1.00 0.00 H new ATOM 1431 N VAL B 21 8.453 -7.461 -3.763 1.00 0.00 N ATOM 1432 CA VAL B 21 7.430 -8.478 -3.595 1.00 0.00 C ATOM 1433 C VAL B 21 7.223 -9.276 -4.899 1.00 0.00 C ATOM 1434 O VAL B 21 6.991 -10.495 -4.882 1.00 0.00 O ATOM 1435 CB VAL B 21 6.087 -7.871 -3.131 1.00 0.00 C ATOM 1436 CG1 VAL B 21 6.235 -7.112 -1.855 1.00 0.00 C ATOM 1437 CG2 VAL B 21 5.430 -7.018 -4.177 1.00 0.00 C ATOM 0 H VAL B 21 8.138 -6.504 -3.601 1.00 0.00 H new ATOM 0 HA VAL B 21 7.782 -9.156 -2.817 1.00 0.00 H new ATOM 0 HB VAL B 21 5.428 -8.721 -2.955 1.00 0.00 H new ATOM 0 HG11 VAL B 21 5.269 -6.701 -1.562 1.00 0.00 H new ATOM 0 HG12 VAL B 21 6.597 -7.781 -1.074 1.00 0.00 H new ATOM 0 HG13 VAL B 21 6.948 -6.299 -1.996 1.00 0.00 H new ATOM 0 HG21 VAL B 21 4.492 -6.623 -3.787 1.00 0.00 H new ATOM 0 HG22 VAL B 21 6.091 -6.192 -4.440 1.00 0.00 H new ATOM 0 HG23 VAL B 21 5.230 -7.619 -5.064 1.00 0.00 H new ATOM 1447 N ALA B 22 7.371 -8.587 -6.016 1.00 0.00 N ATOM 1448 CA ALA B 22 7.207 -9.168 -7.315 1.00 0.00 C ATOM 1449 C ALA B 22 8.269 -10.207 -7.593 1.00 0.00 C ATOM 1450 O ALA B 22 7.958 -11.308 -8.066 1.00 0.00 O ATOM 1451 CB ALA B 22 7.235 -8.086 -8.357 1.00 0.00 C ATOM 0 H ALA B 22 7.612 -7.596 -6.035 1.00 0.00 H new ATOM 0 HA ALA B 22 6.242 -9.674 -7.349 1.00 0.00 H new ATOM 0 HB1 ALA B 22 7.110 -8.529 -9.345 1.00 0.00 H new ATOM 0 HB2 ALA B 22 6.425 -7.380 -8.171 1.00 0.00 H new ATOM 0 HB3 ALA B 22 8.190 -7.562 -8.312 1.00 0.00 H new ATOM 1457 N ARG B 23 9.512 -9.889 -7.253 1.00 0.00 N ATOM 1458 CA ARG B 23 10.614 -10.796 -7.516 1.00 0.00 C ATOM 1459 C ARG B 23 10.658 -11.916 -6.490 1.00 0.00 C ATOM 1460 O ARG B 23 11.408 -12.877 -6.646 1.00 0.00 O ATOM 1461 CB ARG B 23 11.961 -10.059 -7.571 1.00 0.00 C ATOM 1462 CG ARG B 23 12.460 -9.525 -6.234 1.00 0.00 C ATOM 1463 CD ARG B 23 13.768 -8.763 -6.402 1.00 0.00 C ATOM 1464 NE ARG B 23 13.589 -7.488 -7.114 1.00 0.00 N ATOM 1465 CZ ARG B 23 14.436 -6.966 -8.020 1.00 0.00 C ATOM 1466 NH1 ARG B 23 15.429 -7.701 -8.531 1.00 0.00 N ATOM 1467 NH2 ARG B 23 14.266 -5.715 -8.426 1.00 0.00 N ATOM 0 H ARG B 23 9.778 -9.016 -6.798 1.00 0.00 H new ATOM 0 HA ARG B 23 10.439 -11.236 -8.498 1.00 0.00 H new ATOM 0 HB2 ARG B 23 12.712 -10.737 -7.977 1.00 0.00 H new ATOM 0 HB3 ARG B 23 11.873 -9.225 -8.268 1.00 0.00 H new ATOM 0 HG2 ARG B 23 11.707 -8.869 -5.797 1.00 0.00 H new ATOM 0 HG3 ARG B 23 12.604 -10.352 -5.539 1.00 0.00 H new ATOM 0 HD2 ARG B 23 14.201 -8.570 -5.421 1.00 0.00 H new ATOM 0 HD3 ARG B 23 14.479 -9.384 -6.948 1.00 0.00 H new ATOM 0 HE ARG B 23 12.748 -6.952 -6.902 1.00 0.00 H new ATOM 0 HH11 ARG B 23 15.551 -8.669 -8.235 1.00 0.00 H new ATOM 0 HH12 ARG B 23 16.064 -7.293 -9.217 1.00 0.00 H new ATOM 0 HH21 ARG B 23 13.498 -5.157 -8.052 1.00 0.00 H new ATOM 0 HH22 ARG B 23 14.903 -5.311 -9.112 1.00 0.00 H new ATOM 1481 N HIS B 24 9.871 -11.780 -5.434 1.00 0.00 N ATOM 1482 CA HIS B 24 9.798 -12.804 -4.424 1.00 0.00 C ATOM 1483 C HIS B 24 9.114 -14.026 -5.023 1.00 0.00 C ATOM 1484 O HIS B 24 9.601 -15.160 -4.904 1.00 0.00 O ATOM 1485 CB HIS B 24 9.031 -12.308 -3.177 1.00 0.00 C ATOM 1486 CG HIS B 24 9.079 -13.277 -1.999 1.00 0.00 C ATOM 1487 ND1 HIS B 24 9.736 -13.019 -0.809 1.00 0.00 N ATOM 1488 CD2 HIS B 24 8.523 -14.498 -1.843 1.00 0.00 C ATOM 1489 CE1 HIS B 24 9.566 -14.060 0.000 1.00 0.00 C ATOM 1490 NE2 HIS B 24 8.835 -14.991 -0.576 1.00 0.00 N ATOM 0 H HIS B 24 9.278 -10.969 -5.261 1.00 0.00 H new ATOM 0 HA HIS B 24 10.806 -13.063 -4.100 1.00 0.00 H new ATOM 0 HB2 HIS B 24 9.446 -11.350 -2.864 1.00 0.00 H new ATOM 0 HB3 HIS B 24 7.990 -12.132 -3.448 1.00 0.00 H new ATOM 0 HD2 HIS B 24 7.929 -15.013 -2.584 1.00 0.00 H new ATOM 0 HE1 HIS B 24 9.974 -14.132 0.998 1.00 0.00 H new ATOM 0 HE2 HIS B 24 8.555 -15.887 -0.178 1.00 0.00 H new ATOM 1498 N GLY B 25 7.995 -13.789 -5.672 1.00 0.00 N ATOM 1499 CA GLY B 25 7.295 -14.867 -6.307 1.00 0.00 C ATOM 1500 C GLY B 25 5.894 -14.504 -6.730 1.00 0.00 C ATOM 1501 O GLY B 25 4.989 -15.355 -6.690 1.00 0.00 O ATOM 0 H GLY B 25 7.561 -12.871 -5.770 1.00 0.00 H new ATOM 0 HA2 GLY B 25 7.858 -15.191 -7.182 1.00 0.00 H new ATOM 0 HA3 GLY B 25 7.252 -15.715 -5.624 1.00 0.00 H new ATOM 1505 N LEU B 26 5.676 -13.266 -7.135 1.00 0.00 N ATOM 1506 CA LEU B 26 4.351 -12.892 -7.562 1.00 0.00 C ATOM 1507 C LEU B 26 4.164 -13.101 -9.009 1.00 0.00 C ATOM 1508 O LEU B 26 5.086 -12.926 -9.812 1.00 0.00 O ATOM 1509 CB LEU B 26 3.948 -11.465 -7.184 1.00 0.00 C ATOM 1510 CG LEU B 26 3.796 -11.201 -5.718 1.00 0.00 C ATOM 1511 CD1 LEU B 26 3.297 -9.814 -5.403 1.00 0.00 C ATOM 1512 CD2 LEU B 26 3.018 -12.272 -5.000 1.00 0.00 C ATOM 0 H LEU B 26 6.378 -12.527 -7.175 1.00 0.00 H new ATOM 0 HA LEU B 26 3.687 -13.559 -7.012 1.00 0.00 H new ATOM 0 HB2 LEU B 26 4.695 -10.778 -7.583 1.00 0.00 H new ATOM 0 HB3 LEU B 26 3.004 -11.231 -7.677 1.00 0.00 H new ATOM 0 HG LEU B 26 4.810 -11.245 -5.320 1.00 0.00 H new ATOM 0 HD11 LEU B 26 3.211 -9.695 -4.323 1.00 0.00 H new ATOM 0 HD12 LEU B 26 3.998 -9.077 -5.795 1.00 0.00 H new ATOM 0 HD13 LEU B 26 2.320 -9.666 -5.863 1.00 0.00 H new ATOM 0 HD21 LEU B 26 2.944 -12.021 -3.942 1.00 0.00 H new ATOM 0 HD22 LEU B 26 2.018 -12.343 -5.427 1.00 0.00 H new ATOM 0 HD23 LEU B 26 3.529 -13.229 -5.111 1.00 0.00 H new ATOM 1524 N ASP B 27 2.973 -13.493 -9.328 1.00 0.00 N ATOM 1525 CA ASP B 27 2.538 -13.656 -10.682 1.00 0.00 C ATOM 1526 C ASP B 27 2.433 -12.250 -11.251 1.00 0.00 C ATOM 1527 O ASP B 27 2.296 -11.288 -10.479 1.00 0.00 O ATOM 1528 CB ASP B 27 1.137 -14.306 -10.703 1.00 0.00 C ATOM 1529 CG ASP B 27 1.000 -15.523 -9.793 1.00 0.00 C ATOM 1530 OD1 ASP B 27 0.851 -15.354 -8.553 1.00 0.00 O ATOM 1531 OD2 ASP B 27 1.028 -16.658 -10.281 1.00 0.00 O ATOM 0 H ASP B 27 2.255 -13.715 -8.638 1.00 0.00 H new ATOM 0 HA ASP B 27 3.223 -14.285 -11.250 1.00 0.00 H new ATOM 0 HB2 ASP B 27 0.398 -13.561 -10.408 1.00 0.00 H new ATOM 0 HB3 ASP B 27 0.901 -14.602 -11.725 1.00 0.00 H new ATOM 1536 N HIS B 28 2.470 -12.101 -12.551 1.00 0.00 N ATOM 1537 CA HIS B 28 2.389 -10.769 -13.166 1.00 0.00 C ATOM 1538 C HIS B 28 1.094 -10.064 -12.784 1.00 0.00 C ATOM 1539 O HIS B 28 1.079 -8.860 -12.537 1.00 0.00 O ATOM 1540 CB HIS B 28 2.564 -10.827 -14.692 1.00 0.00 C ATOM 1541 CG HIS B 28 3.944 -11.222 -15.116 1.00 0.00 C ATOM 1542 ND1 HIS B 28 4.260 -12.420 -15.717 1.00 0.00 N ATOM 1543 CD2 HIS B 28 5.111 -10.547 -14.997 1.00 0.00 C ATOM 1544 CE1 HIS B 28 5.576 -12.443 -15.931 1.00 0.00 C ATOM 1545 NE2 HIS B 28 6.145 -11.323 -15.511 1.00 0.00 N ATOM 0 H HIS B 28 2.555 -12.871 -13.214 1.00 0.00 H new ATOM 0 HA HIS B 28 3.219 -10.183 -12.772 1.00 0.00 H new ATOM 0 HB2 HIS B 28 1.847 -11.536 -15.106 1.00 0.00 H new ATOM 0 HB3 HIS B 28 2.327 -9.851 -15.115 1.00 0.00 H new ATOM 0 HD2 HIS B 28 5.222 -9.561 -14.570 1.00 0.00 H new ATOM 0 HE1 HIS B 28 6.107 -13.266 -16.386 1.00 0.00 H new ATOM 0 HE2 HIS B 28 7.135 -11.080 -15.555 1.00 0.00 H new ATOM 1553 N ASP B 29 0.031 -10.841 -12.666 1.00 0.00 N ATOM 1554 CA ASP B 29 -1.272 -10.330 -12.259 1.00 0.00 C ATOM 1555 C ASP B 29 -1.225 -9.839 -10.812 1.00 0.00 C ATOM 1556 O ASP B 29 -1.854 -8.844 -10.466 1.00 0.00 O ATOM 1557 CB ASP B 29 -2.359 -11.402 -12.414 1.00 0.00 C ATOM 1558 CG ASP B 29 -2.630 -11.800 -13.857 1.00 0.00 C ATOM 1559 OD1 ASP B 29 -1.898 -12.653 -14.411 1.00 0.00 O ATOM 1560 OD2 ASP B 29 -3.600 -11.299 -14.455 1.00 0.00 O ATOM 0 H ASP B 29 0.044 -11.844 -12.849 1.00 0.00 H new ATOM 0 HA ASP B 29 -1.521 -9.492 -12.911 1.00 0.00 H new ATOM 0 HB2 ASP B 29 -2.064 -12.288 -11.852 1.00 0.00 H new ATOM 0 HB3 ASP B 29 -3.284 -11.035 -11.969 1.00 0.00 H new ATOM 1565 N LYS B 30 -0.427 -10.521 -9.988 1.00 0.00 N ATOM 1566 CA LYS B 30 -0.260 -10.177 -8.568 1.00 0.00 C ATOM 1567 C LYS B 30 0.406 -8.842 -8.442 1.00 0.00 C ATOM 1568 O LYS B 30 -0.047 -8.004 -7.699 1.00 0.00 O ATOM 1569 CB LYS B 30 0.561 -11.256 -7.836 1.00 0.00 C ATOM 1570 CG LYS B 30 -0.134 -12.595 -7.773 1.00 0.00 C ATOM 1571 CD LYS B 30 -1.404 -12.590 -6.945 1.00 0.00 C ATOM 1572 CE LYS B 30 -2.172 -13.902 -7.133 1.00 0.00 C ATOM 1573 NZ LYS B 30 -1.342 -15.106 -6.860 1.00 0.00 N ATOM 0 H LYS B 30 0.123 -11.328 -10.283 1.00 0.00 H new ATOM 0 HA LYS B 30 -1.245 -10.128 -8.105 1.00 0.00 H new ATOM 0 HB2 LYS B 30 1.521 -11.376 -8.339 1.00 0.00 H new ATOM 0 HB3 LYS B 30 0.773 -10.916 -6.822 1.00 0.00 H new ATOM 0 HG2 LYS B 30 -0.374 -12.917 -8.786 1.00 0.00 H new ATOM 0 HG3 LYS B 30 0.555 -13.332 -7.359 1.00 0.00 H new ATOM 0 HD2 LYS B 30 -1.158 -12.453 -5.892 1.00 0.00 H new ATOM 0 HD3 LYS B 30 -2.032 -11.749 -7.237 1.00 0.00 H new ATOM 0 HE2 LYS B 30 -3.038 -13.907 -6.472 1.00 0.00 H new ATOM 0 HE3 LYS B 30 -2.550 -13.952 -8.154 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 -1.961 -15.930 -6.719 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 -0.710 -15.282 -7.667 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 -0.774 -14.949 -6.003 1.00 0.00 H new ATOM 1587 N VAL B 31 1.469 -8.652 -9.205 1.00 0.00 N ATOM 1588 CA VAL B 31 2.200 -7.392 -9.241 1.00 0.00 C ATOM 1589 C VAL B 31 1.253 -6.239 -9.623 1.00 0.00 C ATOM 1590 O VAL B 31 1.279 -5.177 -9.011 1.00 0.00 O ATOM 1591 CB VAL B 31 3.364 -7.453 -10.264 1.00 0.00 C ATOM 1592 CG1 VAL B 31 4.237 -6.210 -10.180 1.00 0.00 C ATOM 1593 CG2 VAL B 31 4.187 -8.714 -10.074 1.00 0.00 C ATOM 0 H VAL B 31 1.853 -9.369 -9.820 1.00 0.00 H new ATOM 0 HA VAL B 31 2.612 -7.217 -8.247 1.00 0.00 H new ATOM 0 HB VAL B 31 2.929 -7.483 -11.263 1.00 0.00 H new ATOM 0 HG11 VAL B 31 5.044 -6.282 -10.909 1.00 0.00 H new ATOM 0 HG12 VAL B 31 3.634 -5.327 -10.392 1.00 0.00 H new ATOM 0 HG13 VAL B 31 4.659 -6.129 -9.178 1.00 0.00 H new ATOM 0 HG21 VAL B 31 4.997 -8.733 -10.803 1.00 0.00 H new ATOM 0 HG22 VAL B 31 4.605 -8.728 -9.067 1.00 0.00 H new ATOM 0 HG23 VAL B 31 3.551 -9.588 -10.215 1.00 0.00 H new ATOM 1603 N LEU B 32 0.404 -6.478 -10.615 1.00 0.00 N ATOM 1604 CA LEU B 32 -0.562 -5.474 -11.084 1.00 0.00 C ATOM 1605 C LEU B 32 -1.572 -5.150 -10.007 1.00 0.00 C ATOM 1606 O LEU B 32 -1.753 -3.990 -9.652 1.00 0.00 O ATOM 1607 CB LEU B 32 -1.271 -5.958 -12.348 1.00 0.00 C ATOM 1608 CG LEU B 32 -0.356 -6.354 -13.509 1.00 0.00 C ATOM 1609 CD1 LEU B 32 -1.165 -6.726 -14.723 1.00 0.00 C ATOM 1610 CD2 LEU B 32 0.648 -5.255 -13.830 1.00 0.00 C ATOM 0 H LEU B 32 0.360 -7.364 -11.118 1.00 0.00 H new ATOM 0 HA LEU B 32 -0.011 -4.564 -11.321 1.00 0.00 H new ATOM 0 HB2 LEU B 32 -1.891 -6.816 -12.089 1.00 0.00 H new ATOM 0 HB3 LEU B 32 -1.943 -5.171 -12.690 1.00 0.00 H new ATOM 0 HG LEU B 32 0.213 -7.231 -13.200 1.00 0.00 H new ATOM 0 HD11 LEU B 32 -0.494 -7.004 -15.536 1.00 0.00 H new ATOM 0 HD12 LEU B 32 -1.814 -7.569 -14.484 1.00 0.00 H new ATOM 0 HD13 LEU B 32 -1.773 -5.875 -15.029 1.00 0.00 H new ATOM 0 HD21 LEU B 32 1.281 -5.571 -14.659 1.00 0.00 H new ATOM 0 HD22 LEU B 32 0.115 -4.345 -14.106 1.00 0.00 H new ATOM 0 HD23 LEU B 32 1.267 -5.061 -12.954 1.00 0.00 H new ATOM 1622 N LEU B 33 -2.185 -6.172 -9.461 1.00 0.00 N ATOM 1623 CA LEU B 33 -3.182 -6.003 -8.421 1.00 0.00 C ATOM 1624 C LEU B 33 -2.579 -5.382 -7.167 1.00 0.00 C ATOM 1625 O LEU B 33 -3.204 -4.542 -6.520 1.00 0.00 O ATOM 1626 CB LEU B 33 -3.843 -7.335 -8.099 1.00 0.00 C ATOM 1627 CG LEU B 33 -4.671 -7.963 -9.219 1.00 0.00 C ATOM 1628 CD1 LEU B 33 -5.075 -9.380 -8.849 1.00 0.00 C ATOM 1629 CD2 LEU B 33 -5.905 -7.122 -9.505 1.00 0.00 C ATOM 0 H LEU B 33 -2.011 -7.143 -9.721 1.00 0.00 H new ATOM 0 HA LEU B 33 -3.943 -5.317 -8.794 1.00 0.00 H new ATOM 0 HB2 LEU B 33 -3.066 -8.042 -7.809 1.00 0.00 H new ATOM 0 HB3 LEU B 33 -4.488 -7.197 -7.231 1.00 0.00 H new ATOM 0 HG LEU B 33 -4.059 -7.999 -10.120 1.00 0.00 H new ATOM 0 HD11 LEU B 33 -5.664 -9.813 -9.657 1.00 0.00 H new ATOM 0 HD12 LEU B 33 -4.181 -9.983 -8.688 1.00 0.00 H new ATOM 0 HD13 LEU B 33 -5.670 -9.362 -7.936 1.00 0.00 H new ATOM 0 HD21 LEU B 33 -6.483 -7.584 -10.305 1.00 0.00 H new ATOM 0 HD22 LEU B 33 -6.518 -7.057 -8.606 1.00 0.00 H new ATOM 0 HD23 LEU B 33 -5.600 -6.121 -9.809 1.00 0.00 H new ATOM 1641 N PHE B 34 -1.365 -5.775 -6.846 1.00 0.00 N ATOM 1642 CA PHE B 34 -0.678 -5.246 -5.698 1.00 0.00 C ATOM 1643 C PHE B 34 -0.320 -3.783 -5.897 1.00 0.00 C ATOM 1644 O PHE B 34 -0.670 -2.962 -5.077 1.00 0.00 O ATOM 1645 CB PHE B 34 0.572 -6.071 -5.356 1.00 0.00 C ATOM 1646 CG PHE B 34 1.359 -5.512 -4.210 1.00 0.00 C ATOM 1647 CD1 PHE B 34 0.913 -5.658 -2.911 1.00 0.00 C ATOM 1648 CD2 PHE B 34 2.538 -4.825 -4.437 1.00 0.00 C ATOM 1649 CE1 PHE B 34 1.628 -5.129 -1.864 1.00 0.00 C ATOM 1650 CE2 PHE B 34 3.255 -4.301 -3.395 1.00 0.00 C ATOM 1651 CZ PHE B 34 2.800 -4.450 -2.111 1.00 0.00 C ATOM 0 H PHE B 34 -0.833 -6.467 -7.373 1.00 0.00 H new ATOM 0 HA PHE B 34 -1.362 -5.316 -4.853 1.00 0.00 H new ATOM 0 HB2 PHE B 34 0.271 -7.091 -5.117 1.00 0.00 H new ATOM 0 HB3 PHE B 34 1.214 -6.126 -6.235 1.00 0.00 H new ATOM 0 HD1 PHE B 34 -0.005 -6.192 -2.717 1.00 0.00 H new ATOM 0 HD2 PHE B 34 2.897 -4.701 -5.448 1.00 0.00 H new ATOM 0 HE1 PHE B 34 1.272 -5.245 -0.851 1.00 0.00 H new ATOM 0 HE2 PHE B 34 4.177 -3.771 -3.585 1.00 0.00 H new ATOM 0 HZ PHE B 34 3.363 -4.033 -1.289 1.00 0.00 H new ATOM 1661 N SER B 35 0.333 -3.465 -7.011 1.00 0.00 N ATOM 1662 CA SER B 35 0.803 -2.107 -7.277 1.00 0.00 C ATOM 1663 C SER B 35 -0.333 -1.087 -7.259 1.00 0.00 C ATOM 1664 O SER B 35 -0.168 0.043 -6.775 1.00 0.00 O ATOM 1665 CB SER B 35 1.578 -2.054 -8.603 1.00 0.00 C ATOM 1666 OG SER B 35 0.810 -2.582 -9.670 1.00 0.00 O ATOM 0 H SER B 35 0.550 -4.134 -7.750 1.00 0.00 H new ATOM 0 HA SER B 35 1.481 -1.833 -6.469 1.00 0.00 H new ATOM 0 HB2 SER B 35 1.852 -1.023 -8.825 1.00 0.00 H new ATOM 0 HB3 SER B 35 2.506 -2.617 -8.507 1.00 0.00 H new ATOM 0 HG SER B 35 0.847 -3.561 -9.646 1.00 0.00 H new ATOM 1672 N ARG B 36 -1.485 -1.488 -7.755 1.00 0.00 N ATOM 1673 CA ARG B 36 -2.623 -0.608 -7.792 1.00 0.00 C ATOM 1674 C ARG B 36 -3.306 -0.500 -6.423 1.00 0.00 C ATOM 1675 O ARG B 36 -3.764 0.576 -6.039 1.00 0.00 O ATOM 1676 CB ARG B 36 -3.608 -1.022 -8.884 1.00 0.00 C ATOM 1677 CG ARG B 36 -4.207 -2.402 -8.717 1.00 0.00 C ATOM 1678 CD ARG B 36 -5.134 -2.740 -9.858 1.00 0.00 C ATOM 1679 NE ARG B 36 -6.249 -1.772 -9.929 1.00 0.00 N ATOM 1680 CZ ARG B 36 -7.505 -2.036 -10.313 1.00 0.00 C ATOM 1681 NH1 ARG B 36 -7.842 -3.250 -10.772 1.00 0.00 N ATOM 1682 NH2 ARG B 36 -8.420 -1.069 -10.251 1.00 0.00 N ATOM 0 H ARG B 36 -1.653 -2.419 -8.137 1.00 0.00 H new ATOM 0 HA ARG B 36 -2.256 0.388 -8.042 1.00 0.00 H new ATOM 0 HB2 ARG B 36 -4.418 -0.293 -8.917 1.00 0.00 H new ATOM 0 HB3 ARG B 36 -3.099 -0.978 -9.847 1.00 0.00 H new ATOM 0 HG2 ARG B 36 -3.409 -3.143 -8.662 1.00 0.00 H new ATOM 0 HG3 ARG B 36 -4.753 -2.452 -7.775 1.00 0.00 H new ATOM 0 HD2 ARG B 36 -4.580 -2.734 -10.797 1.00 0.00 H new ATOM 0 HD3 ARG B 36 -5.528 -3.748 -9.727 1.00 0.00 H new ATOM 0 HE ARG B 36 -6.042 -0.810 -9.660 1.00 0.00 H new ATOM 0 HH11 ARG B 36 -7.138 -3.986 -10.832 1.00 0.00 H new ATOM 0 HH12 ARG B 36 -8.802 -3.438 -11.061 1.00 0.00 H new ATOM 0 HH21 ARG B 36 -8.160 -0.142 -9.914 1.00 0.00 H new ATOM 0 HH22 ARG B 36 -9.380 -1.256 -10.540 1.00 0.00 H new ATOM 1696 N ASP B 37 -3.343 -1.596 -5.663 1.00 0.00 N ATOM 1697 CA ASP B 37 -4.011 -1.559 -4.358 1.00 0.00 C ATOM 1698 C ASP B 37 -3.097 -0.889 -3.336 1.00 0.00 C ATOM 1699 O ASP B 37 -3.552 -0.266 -2.370 1.00 0.00 O ATOM 1700 CB ASP B 37 -4.436 -2.957 -3.900 1.00 0.00 C ATOM 1701 CG ASP B 37 -5.620 -2.927 -2.944 1.00 0.00 C ATOM 1702 OD1 ASP B 37 -6.764 -2.651 -3.397 1.00 0.00 O ATOM 1703 OD2 ASP B 37 -5.456 -3.192 -1.743 1.00 0.00 O ATOM 0 H ASP B 37 -2.933 -2.495 -5.916 1.00 0.00 H new ATOM 0 HA ASP B 37 -4.925 -0.972 -4.451 1.00 0.00 H new ATOM 0 HB2 ASP B 37 -4.694 -3.558 -4.772 1.00 0.00 H new ATOM 0 HB3 ASP B 37 -3.593 -3.447 -3.413 1.00 0.00 H new ATOM 1708 N LEU B 38 -1.805 -1.008 -3.581 1.00 0.00 N ATOM 1709 CA LEU B 38 -0.775 -0.336 -2.807 1.00 0.00 C ATOM 1710 C LEU B 38 -0.861 1.160 -3.026 1.00 0.00 C ATOM 1711 O LEU B 38 -0.775 1.941 -2.075 1.00 0.00 O ATOM 1712 CB LEU B 38 0.612 -0.864 -3.217 1.00 0.00 C ATOM 1713 CG LEU B 38 1.842 -0.084 -2.734 1.00 0.00 C ATOM 1714 CD1 LEU B 38 1.891 0.025 -1.236 1.00 0.00 C ATOM 1715 CD2 LEU B 38 3.097 -0.734 -3.242 1.00 0.00 C ATOM 0 H LEU B 38 -1.435 -1.584 -4.337 1.00 0.00 H new ATOM 0 HA LEU B 38 -0.927 -0.541 -1.747 1.00 0.00 H new ATOM 0 HB2 LEU B 38 0.701 -1.889 -2.856 1.00 0.00 H new ATOM 0 HB3 LEU B 38 0.647 -0.905 -4.306 1.00 0.00 H new ATOM 0 HG LEU B 38 1.764 0.927 -3.134 1.00 0.00 H new ATOM 0 HD11 LEU B 38 2.778 0.585 -0.941 1.00 0.00 H new ATOM 0 HD12 LEU B 38 1.000 0.542 -0.880 1.00 0.00 H new ATOM 0 HD13 LEU B 38 1.930 -0.973 -0.800 1.00 0.00 H new ATOM 0 HD21 LEU B 38 3.964 -0.173 -2.894 1.00 0.00 H new ATOM 0 HD22 LEU B 38 3.153 -1.757 -2.870 1.00 0.00 H new ATOM 0 HD23 LEU B 38 3.086 -0.745 -4.332 1.00 0.00 H new ATOM 1727 N ASP B 39 -1.050 1.551 -4.279 1.00 0.00 N ATOM 1728 CA ASP B 39 -1.171 2.959 -4.632 1.00 0.00 C ATOM 1729 C ASP B 39 -2.378 3.550 -3.918 1.00 0.00 C ATOM 1730 O ASP B 39 -2.290 4.616 -3.329 1.00 0.00 O ATOM 1731 CB ASP B 39 -1.284 3.129 -6.151 1.00 0.00 C ATOM 1732 CG ASP B 39 -1.239 4.577 -6.595 1.00 0.00 C ATOM 1733 OD1 ASP B 39 -0.141 5.187 -6.559 1.00 0.00 O ATOM 1734 OD2 ASP B 39 -2.272 5.114 -7.042 1.00 0.00 O ATOM 0 H ASP B 39 -1.123 0.911 -5.070 1.00 0.00 H new ATOM 0 HA ASP B 39 -0.276 3.493 -4.313 1.00 0.00 H new ATOM 0 HB2 ASP B 39 -0.473 2.583 -6.632 1.00 0.00 H new ATOM 0 HB3 ASP B 39 -2.217 2.680 -6.492 1.00 0.00 H new ATOM 1739 N LYS B 40 -3.484 2.796 -3.924 1.00 0.00 N ATOM 1740 CA LYS B 40 -4.705 3.161 -3.191 1.00 0.00 C ATOM 1741 C LYS B 40 -4.414 3.383 -1.702 1.00 0.00 C ATOM 1742 O LYS B 40 -4.807 4.398 -1.136 1.00 0.00 O ATOM 1743 CB LYS B 40 -5.761 2.054 -3.316 1.00 0.00 C ATOM 1744 CG LYS B 40 -6.450 1.935 -4.673 1.00 0.00 C ATOM 1745 CD LYS B 40 -7.249 0.625 -4.779 1.00 0.00 C ATOM 1746 CE LYS B 40 -8.245 0.438 -3.633 1.00 0.00 C ATOM 1747 NZ LYS B 40 -8.809 -0.926 -3.628 1.00 0.00 N ATOM 0 H LYS B 40 -3.559 1.917 -4.436 1.00 0.00 H new ATOM 0 HA LYS B 40 -5.078 4.086 -3.630 1.00 0.00 H new ATOM 0 HB2 LYS B 40 -5.287 1.100 -3.087 1.00 0.00 H new ATOM 0 HB3 LYS B 40 -6.525 2.221 -2.557 1.00 0.00 H new ATOM 0 HG2 LYS B 40 -7.118 2.784 -4.820 1.00 0.00 H new ATOM 0 HG3 LYS B 40 -5.704 1.974 -5.467 1.00 0.00 H new ATOM 0 HD2 LYS B 40 -7.787 0.610 -5.727 1.00 0.00 H new ATOM 0 HD3 LYS B 40 -6.556 -0.217 -4.792 1.00 0.00 H new ATOM 0 HE2 LYS B 40 -7.749 0.632 -2.682 1.00 0.00 H new ATOM 0 HE3 LYS B 40 -9.051 1.166 -3.726 1.00 0.00 H new ATOM 0 HZ1 LYS B 40 -9.388 -1.059 -2.774 1.00 0.00 H new ATOM 0 HZ2 LYS B 40 -9.401 -1.060 -4.472 1.00 0.00 H new ATOM 0 HZ3 LYS B 40 -8.036 -1.621 -3.634 1.00 0.00 H new ATOM 1761 N LEU B 41 -3.704 2.434 -1.094 1.00 0.00 N ATOM 1762 CA LEU B 41 -3.400 2.467 0.340 1.00 0.00 C ATOM 1763 C LEU B 41 -2.561 3.698 0.662 1.00 0.00 C ATOM 1764 O LEU B 41 -2.827 4.418 1.637 1.00 0.00 O ATOM 1765 CB LEU B 41 -2.653 1.172 0.744 1.00 0.00 C ATOM 1766 CG LEU B 41 -2.608 0.791 2.245 1.00 0.00 C ATOM 1767 CD1 LEU B 41 -2.042 -0.560 2.423 1.00 0.00 C ATOM 1768 CD2 LEU B 41 -1.804 1.734 3.068 1.00 0.00 C ATOM 0 H LEU B 41 -3.323 1.621 -1.578 1.00 0.00 H new ATOM 0 HA LEU B 41 -4.328 2.524 0.909 1.00 0.00 H new ATOM 0 HB2 LEU B 41 -3.109 0.342 0.203 1.00 0.00 H new ATOM 0 HB3 LEU B 41 -1.625 1.256 0.391 1.00 0.00 H new ATOM 0 HG LEU B 41 -3.642 0.832 2.586 1.00 0.00 H new ATOM 0 HD11 LEU B 41 -2.019 -0.808 3.484 1.00 0.00 H new ATOM 0 HD12 LEU B 41 -2.659 -1.286 1.894 1.00 0.00 H new ATOM 0 HD13 LEU B 41 -1.028 -0.586 2.023 1.00 0.00 H new ATOM 0 HD21 LEU B 41 -1.814 1.409 4.108 1.00 0.00 H new ATOM 0 HD22 LEU B 41 -0.777 1.751 2.703 1.00 0.00 H new ATOM 0 HD23 LEU B 41 -2.231 2.734 2.996 1.00 0.00 H new ATOM 1780 N ILE B 42 -1.566 3.937 -0.148 1.00 0.00 N ATOM 1781 CA ILE B 42 -0.714 5.073 0.051 1.00 0.00 C ATOM 1782 C ILE B 42 -1.483 6.367 -0.154 1.00 0.00 C ATOM 1783 O ILE B 42 -1.476 7.221 0.722 1.00 0.00 O ATOM 1784 CB ILE B 42 0.589 4.990 -0.793 1.00 0.00 C ATOM 1785 CG1 ILE B 42 1.402 3.787 -0.300 1.00 0.00 C ATOM 1786 CG2 ILE B 42 1.412 6.277 -0.680 1.00 0.00 C ATOM 1787 CD1 ILE B 42 2.734 3.592 -0.974 1.00 0.00 C ATOM 0 H ILE B 42 -1.327 3.358 -0.953 1.00 0.00 H new ATOM 0 HA ILE B 42 -0.381 5.065 1.089 1.00 0.00 H new ATOM 0 HB ILE B 42 0.332 4.868 -1.845 1.00 0.00 H new ATOM 0 HG12 ILE B 42 1.568 3.896 0.772 1.00 0.00 H new ATOM 0 HG13 ILE B 42 0.807 2.885 -0.440 1.00 0.00 H new ATOM 0 HG21 ILE B 42 2.316 6.185 -1.282 1.00 0.00 H new ATOM 0 HG22 ILE B 42 0.821 7.120 -1.039 1.00 0.00 H new ATOM 0 HG23 ILE B 42 1.686 6.444 0.362 1.00 0.00 H new ATOM 0 HD11 ILE B 42 3.229 2.716 -0.555 1.00 0.00 H new ATOM 0 HD12 ILE B 42 2.583 3.446 -2.043 1.00 0.00 H new ATOM 0 HD13 ILE B 42 3.356 4.473 -0.813 1.00 0.00 H new ATOM 1799 N ASN B 43 -2.227 6.470 -1.251 1.00 0.00 N ATOM 1800 CA ASN B 43 -3.045 7.668 -1.529 1.00 0.00 C ATOM 1801 C ASN B 43 -4.030 7.935 -0.400 1.00 0.00 C ATOM 1802 O ASN B 43 -4.308 9.093 -0.074 1.00 0.00 O ATOM 1803 CB ASN B 43 -3.804 7.565 -2.860 1.00 0.00 C ATOM 1804 CG ASN B 43 -2.897 7.569 -4.078 1.00 0.00 C ATOM 1805 OD1 ASN B 43 -1.817 8.172 -4.072 1.00 0.00 O ATOM 1806 ND2 ASN B 43 -3.318 6.916 -5.127 1.00 0.00 N ATOM 0 H ASN B 43 -2.287 5.746 -1.966 1.00 0.00 H new ATOM 0 HA ASN B 43 -2.347 8.502 -1.604 1.00 0.00 H new ATOM 0 HB2 ASN B 43 -4.396 6.650 -2.861 1.00 0.00 H new ATOM 0 HB3 ASN B 43 -4.504 8.398 -2.935 1.00 0.00 H new ATOM 0 HD21 ASN B 43 -2.751 6.893 -5.975 1.00 0.00 H new ATOM 0 HD22 ASN B 43 -4.214 6.429 -5.099 1.00 0.00 H new ATOM 1813 N LYS B 44 -4.525 6.860 0.201 1.00 0.00 N ATOM 1814 CA LYS B 44 -5.427 6.902 1.347 1.00 0.00 C ATOM 1815 C LYS B 44 -4.810 7.712 2.482 1.00 0.00 C ATOM 1816 O LYS B 44 -5.387 8.701 2.942 1.00 0.00 O ATOM 1817 CB LYS B 44 -5.690 5.467 1.838 1.00 0.00 C ATOM 1818 CG LYS B 44 -6.569 5.340 3.085 1.00 0.00 C ATOM 1819 CD LYS B 44 -6.448 3.946 3.731 1.00 0.00 C ATOM 1820 CE LYS B 44 -6.828 2.823 2.778 1.00 0.00 C ATOM 1821 NZ LYS B 44 -6.688 1.464 3.383 1.00 0.00 N ATOM 0 H LYS B 44 -4.305 5.911 -0.102 1.00 0.00 H new ATOM 0 HA LYS B 44 -6.361 7.373 1.042 1.00 0.00 H new ATOM 0 HB2 LYS B 44 -6.157 4.906 1.029 1.00 0.00 H new ATOM 0 HB3 LYS B 44 -4.731 4.992 2.043 1.00 0.00 H new ATOM 0 HG2 LYS B 44 -6.284 6.102 3.810 1.00 0.00 H new ATOM 0 HG3 LYS B 44 -7.609 5.528 2.817 1.00 0.00 H new ATOM 0 HD2 LYS B 44 -5.424 3.796 4.073 1.00 0.00 H new ATOM 0 HD3 LYS B 44 -7.088 3.902 4.612 1.00 0.00 H new ATOM 0 HE2 LYS B 44 -7.859 2.964 2.453 1.00 0.00 H new ATOM 0 HE3 LYS B 44 -6.202 2.883 1.888 1.00 0.00 H new ATOM 0 HZ1 LYS B 44 -7.057 0.750 2.722 1.00 0.00 H new ATOM 0 HZ2 LYS B 44 -5.684 1.272 3.576 1.00 0.00 H new ATOM 0 HZ3 LYS B 44 -7.226 1.423 4.272 1.00 0.00 H new ATOM 1835 N PHE B 45 -3.634 7.300 2.900 1.00 0.00 N ATOM 1836 CA PHE B 45 -2.956 7.930 4.011 1.00 0.00 C ATOM 1837 C PHE B 45 -2.305 9.224 3.660 1.00 0.00 C ATOM 1838 O PHE B 45 -2.207 10.119 4.501 1.00 0.00 O ATOM 1839 CB PHE B 45 -1.987 6.986 4.674 1.00 0.00 C ATOM 1840 CG PHE B 45 -2.650 6.157 5.696 1.00 0.00 C ATOM 1841 CD1 PHE B 45 -2.724 6.619 6.986 1.00 0.00 C ATOM 1842 CD2 PHE B 45 -3.226 4.942 5.377 1.00 0.00 C ATOM 1843 CE1 PHE B 45 -3.365 5.884 7.960 1.00 0.00 C ATOM 1844 CE2 PHE B 45 -3.865 4.195 6.344 1.00 0.00 C ATOM 1845 CZ PHE B 45 -3.937 4.668 7.636 1.00 0.00 C ATOM 0 H PHE B 45 -3.123 6.523 2.482 1.00 0.00 H new ATOM 0 HA PHE B 45 -3.736 8.178 4.731 1.00 0.00 H new ATOM 0 HB2 PHE B 45 -1.533 6.342 3.921 1.00 0.00 H new ATOM 0 HB3 PHE B 45 -1.180 7.556 5.135 1.00 0.00 H new ATOM 0 HD1 PHE B 45 -2.276 7.568 7.241 1.00 0.00 H new ATOM 0 HD2 PHE B 45 -3.175 4.575 4.363 1.00 0.00 H new ATOM 0 HE1 PHE B 45 -3.420 6.257 8.972 1.00 0.00 H new ATOM 0 HE2 PHE B 45 -4.307 3.243 6.090 1.00 0.00 H new ATOM 0 HZ PHE B 45 -4.440 4.089 8.396 1.00 0.00 H new ATOM 1855 N MET B 46 -1.886 9.346 2.428 1.00 0.00 N ATOM 1856 CA MET B 46 -1.264 10.575 1.967 1.00 0.00 C ATOM 1857 C MET B 46 -2.307 11.655 1.906 1.00 0.00 C ATOM 1858 O MET B 46 -2.012 12.843 2.046 1.00 0.00 O ATOM 1859 CB MET B 46 -0.609 10.379 0.603 1.00 0.00 C ATOM 1860 CG MET B 46 0.539 9.389 0.625 1.00 0.00 C ATOM 1861 SD MET B 46 1.850 9.861 1.739 1.00 0.00 S ATOM 1862 CE MET B 46 2.374 11.356 0.962 1.00 0.00 C ATOM 0 H MET B 46 -1.961 8.615 1.721 1.00 0.00 H new ATOM 0 HA MET B 46 -0.479 10.865 2.666 1.00 0.00 H new ATOM 0 HB2 MET B 46 -1.361 10.036 -0.108 1.00 0.00 H new ATOM 0 HB3 MET B 46 -0.244 11.340 0.242 1.00 0.00 H new ATOM 0 HG2 MET B 46 0.160 8.409 0.914 1.00 0.00 H new ATOM 0 HG3 MET B 46 0.944 9.290 -0.382 1.00 0.00 H new ATOM 0 HE1 MET B 46 3.414 11.556 1.222 1.00 0.00 H new ATOM 0 HE2 MET B 46 2.283 11.255 -0.120 1.00 0.00 H new ATOM 0 HE3 MET B 46 1.750 12.182 1.303 1.00 0.00 H new