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= -0.0602 K(o=-1.6,f=-2.2) USER MOD Set 1.2: B 46 MET CE :methyl 160:sc= -1.58 (180deg=-3.43!) USER MOD Set 2.1: A 46 MET CE :methyl 161:sc= -0.426 (180deg=-1.25) USER MOD Set 2.2: B 24 HIS : no HD1:sc= 0 K(o=-0.43,f=-0.98) USER MOD Set 3.1: A 13 LYS NZ :NH3+ 160:sc= 2.33 (180deg=2.28) USER MOD Set 3.2: B 13 LYS NZ :NH3+ -153:sc= 2.15 (180deg=1.64) USER MOD Single : A 5 GLN : amide:sc= 0 K(o=0,f=-0.86) USER MOD Single : A 7 LYS NZ :NH3+ 150:sc= -1.66! (180deg=-3.45!) USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 9 LYS NZ :NH3+ -163:sc= -0.0523 (180deg=-0.369) USER MOD Single : A 12 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 LYS NZ :NH3+ -175:sc= 1.95 (180deg=1.86) USER MOD Single : A 15 LYS NZ :NH3+ -144:sc= -0.308 (180deg=-1.89!) USER MOD Single : A 19 GLN : amide:sc= -0.102 X(o=-0.1,f=-0.0097) USER MOD Single : A 28 HIS : no HD1:sc= -0.0534 X(o=-0.053,f=0) USER MOD Single : A 30 LYS NZ :NH3+ 159:sc= 1.15 (180deg=0.672) USER MOD Single : A 35 SER OG : rot -82:sc= 1.17 USER MOD Single : A 40 LYS NZ :NH3+ -159:sc= 0.837 (180deg=0.423) USER MOD Single : A 43 ASN : amide:sc= 1.12 K(o=1.1,f=-0.012) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 7 LYS NZ :NH3+ -164:sc= -0.0127 (180deg=-0.218) USER MOD Single : B 8 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 12 ASN : amide:sc= -0.0022 X(o=-0.0022,f=0) USER MOD Single : B 14 LYS NZ :NH3+ -175:sc= 0.745 (180deg=0.55) USER MOD Single : B 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 19 GLN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : B 28 HIS : no HD1:sc= -0.0277 X(o=-0.028,f=0) USER MOD Single : B 30 LYS NZ :NH3+ -169:sc= 1.27 (180deg=0.951) USER MOD Single : B 35 SER OG : rot -90:sc= 1.23 USER MOD Single : B 40 LYS NZ :NH3+ 179:sc= 1.27 (180deg=1.25) USER MOD Single : B 43 ASN : amide:sc= 1.23 K(o=1.2,f=-0.079) USER MOD Single : B 44 LYS NZ :NH3+ -167:sc= -0.0133 (180deg=-0.18) USER MOD ----------------------------------------------------------------- ATOM 59 N GLN A 5 16.743 -12.966 3.212 1.00 0.00 N ATOM 60 CA GLN A 5 17.234 -11.727 2.633 1.00 0.00 C ATOM 61 C GLN A 5 16.123 -11.006 1.898 1.00 0.00 C ATOM 62 O GLN A 5 15.971 -9.794 2.038 1.00 0.00 O ATOM 63 CB GLN A 5 18.369 -11.989 1.660 1.00 0.00 C ATOM 64 CG GLN A 5 19.619 -12.588 2.268 1.00 0.00 C ATOM 65 CD GLN A 5 20.676 -12.836 1.216 1.00 0.00 C ATOM 66 OE1 GLN A 5 20.744 -12.126 0.207 1.00 0.00 O ATOM 67 NE2 GLN A 5 21.501 -13.815 1.430 1.00 0.00 N ATOM 0 HA GLN A 5 17.599 -11.108 3.453 1.00 0.00 H new ATOM 0 HB2 GLN A 5 18.008 -12.658 0.879 1.00 0.00 H new ATOM 0 HB3 GLN A 5 18.635 -11.049 1.176 1.00 0.00 H new ATOM 0 HG2 GLN A 5 20.013 -11.917 3.031 1.00 0.00 H new ATOM 0 HG3 GLN A 5 19.371 -13.526 2.766 1.00 0.00 H new ATOM 0 HE21 GLN A 5 21.414 -14.380 2.275 1.00 0.00 H new ATOM 0 HE22 GLN A 5 22.236 -14.019 0.753 1.00 0.00 H new ATOM 76 N LEU A 6 15.357 -11.768 1.126 1.00 0.00 N ATOM 77 CA LEU A 6 14.238 -11.263 0.349 1.00 0.00 C ATOM 78 C LEU A 6 13.217 -10.585 1.257 1.00 0.00 C ATOM 79 O LEU A 6 12.833 -9.433 1.019 1.00 0.00 O ATOM 80 CB LEU A 6 13.623 -12.429 -0.493 1.00 0.00 C ATOM 81 CG LEU A 6 12.405 -12.154 -1.421 1.00 0.00 C ATOM 82 CD1 LEU A 6 11.094 -12.143 -0.655 1.00 0.00 C ATOM 83 CD2 LEU A 6 12.582 -10.848 -2.175 1.00 0.00 C ATOM 0 H LEU A 6 15.501 -12.772 1.023 1.00 0.00 H new ATOM 0 HA LEU A 6 14.582 -10.499 -0.348 1.00 0.00 H new ATOM 0 HB2 LEU A 6 14.420 -12.836 -1.115 1.00 0.00 H new ATOM 0 HB3 LEU A 6 13.330 -13.214 0.204 1.00 0.00 H new ATOM 0 HG LEU A 6 12.362 -12.974 -2.138 1.00 0.00 H new ATOM 0 HD11 LEU A 6 10.272 -11.947 -1.344 1.00 0.00 H new ATOM 0 HD12 LEU A 6 10.944 -13.111 -0.177 1.00 0.00 H new ATOM 0 HD13 LEU A 6 11.124 -11.363 0.106 1.00 0.00 H new ATOM 0 HD21 LEU A 6 11.717 -10.678 -2.817 1.00 0.00 H new ATOM 0 HD22 LEU A 6 12.673 -10.027 -1.464 1.00 0.00 H new ATOM 0 HD23 LEU A 6 13.483 -10.900 -2.786 1.00 0.00 H new ATOM 95 N LYS A 7 12.810 -11.269 2.311 1.00 0.00 N ATOM 96 CA LYS A 7 11.850 -10.719 3.222 1.00 0.00 C ATOM 97 C LYS A 7 12.393 -9.570 4.008 1.00 0.00 C ATOM 98 O LYS A 7 11.660 -8.648 4.333 1.00 0.00 O ATOM 99 CB LYS A 7 11.263 -11.769 4.141 1.00 0.00 C ATOM 100 CG LYS A 7 9.960 -12.321 3.640 1.00 0.00 C ATOM 101 CD LYS A 7 8.867 -11.247 3.703 1.00 0.00 C ATOM 102 CE LYS A 7 8.253 -11.072 5.101 1.00 0.00 C ATOM 103 NZ LYS A 7 9.181 -10.546 6.120 1.00 0.00 N ATOM 0 H LYS A 7 13.135 -12.206 2.549 1.00 0.00 H new ATOM 0 HA LYS A 7 11.043 -10.333 2.600 1.00 0.00 H new ATOM 0 HB2 LYS A 7 11.977 -12.584 4.256 1.00 0.00 H new ATOM 0 HB3 LYS A 7 11.112 -11.336 5.130 1.00 0.00 H new ATOM 0 HG2 LYS A 7 10.076 -12.671 2.614 1.00 0.00 H new ATOM 0 HG3 LYS A 7 9.668 -13.183 4.240 1.00 0.00 H new ATOM 0 HD2 LYS A 7 9.286 -10.295 3.378 1.00 0.00 H new ATOM 0 HD3 LYS A 7 8.076 -11.504 2.998 1.00 0.00 H new ATOM 0 HE2 LYS A 7 7.398 -10.400 5.026 1.00 0.00 H new ATOM 0 HE3 LYS A 7 7.872 -12.036 5.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 8.648 -9.997 6.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 9.665 -11.337 6.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 9.886 -9.932 5.664 1.00 0.00 H new ATOM 117 N ASN A 8 13.656 -9.628 4.315 1.00 0.00 N ATOM 118 CA ASN A 8 14.311 -8.563 5.044 1.00 0.00 C ATOM 119 C ASN A 8 14.345 -7.293 4.187 1.00 0.00 C ATOM 120 O ASN A 8 14.089 -6.197 4.682 1.00 0.00 O ATOM 121 CB ASN A 8 15.719 -8.995 5.461 1.00 0.00 C ATOM 122 CG ASN A 8 16.525 -7.926 6.199 1.00 0.00 C ATOM 123 OD1 ASN A 8 15.982 -7.100 6.946 1.00 0.00 O ATOM 124 ND2 ASN A 8 17.821 -7.922 5.987 1.00 0.00 N ATOM 0 H ASN A 8 14.266 -10.409 4.072 1.00 0.00 H new ATOM 0 HA ASN A 8 13.749 -8.345 5.952 1.00 0.00 H new ATOM 0 HB2 ASN A 8 15.640 -9.875 6.099 1.00 0.00 H new ATOM 0 HB3 ASN A 8 16.271 -9.295 4.570 1.00 0.00 H new ATOM 0 HD21 ASN A 8 18.410 -7.225 6.443 1.00 0.00 H new ATOM 0 HD22 ASN A 8 18.238 -8.615 5.366 1.00 0.00 H new ATOM 131 N LYS A 9 14.625 -7.468 2.888 1.00 0.00 N ATOM 132 CA LYS A 9 14.607 -6.363 1.931 1.00 0.00 C ATOM 133 C LYS A 9 13.240 -5.725 1.903 1.00 0.00 C ATOM 134 O LYS A 9 13.121 -4.513 2.017 1.00 0.00 O ATOM 135 CB LYS A 9 14.963 -6.830 0.521 1.00 0.00 C ATOM 136 CG LYS A 9 16.409 -7.180 0.300 1.00 0.00 C ATOM 137 CD LYS A 9 16.626 -7.646 -1.125 1.00 0.00 C ATOM 138 CE LYS A 9 18.094 -7.858 -1.423 1.00 0.00 C ATOM 139 NZ LYS A 9 18.859 -6.595 -1.335 1.00 0.00 N ATOM 0 H LYS A 9 14.867 -8.370 2.479 1.00 0.00 H new ATOM 0 HA LYS A 9 15.355 -5.640 2.256 1.00 0.00 H new ATOM 0 HB2 LYS A 9 14.355 -7.703 0.282 1.00 0.00 H new ATOM 0 HB3 LYS A 9 14.685 -6.046 -0.183 1.00 0.00 H new ATOM 0 HG2 LYS A 9 17.036 -6.312 0.505 1.00 0.00 H new ATOM 0 HG3 LYS A 9 16.711 -7.963 0.996 1.00 0.00 H new ATOM 0 HD2 LYS A 9 16.082 -8.576 -1.291 1.00 0.00 H new ATOM 0 HD3 LYS A 9 16.216 -6.909 -1.816 1.00 0.00 H new ATOM 0 HE2 LYS A 9 18.507 -8.583 -0.721 1.00 0.00 H new ATOM 0 HE3 LYS A 9 18.205 -8.282 -2.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 19.775 -6.710 -1.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 18.322 -5.831 -1.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 19.018 -6.354 -0.336 1.00 0.00 H new ATOM 153 N ILE A 10 12.220 -6.557 1.758 1.00 0.00 N ATOM 154 CA ILE A 10 10.823 -6.118 1.763 1.00 0.00 C ATOM 155 C ILE A 10 10.497 -5.335 3.029 1.00 0.00 C ATOM 156 O ILE A 10 9.950 -4.238 2.940 1.00 0.00 O ATOM 157 CB ILE A 10 9.856 -7.339 1.628 1.00 0.00 C ATOM 158 CG1 ILE A 10 9.995 -7.955 0.238 1.00 0.00 C ATOM 159 CG2 ILE A 10 8.399 -6.954 1.912 1.00 0.00 C ATOM 160 CD1 ILE A 10 9.167 -9.190 0.013 1.00 0.00 C ATOM 0 H ILE A 10 12.333 -7.563 1.632 1.00 0.00 H new ATOM 0 HA ILE A 10 10.682 -5.461 0.905 1.00 0.00 H new ATOM 0 HB ILE A 10 10.139 -8.077 2.378 1.00 0.00 H new ATOM 0 HG12 ILE A 10 9.718 -7.208 -0.505 1.00 0.00 H new ATOM 0 HG13 ILE A 10 11.043 -8.201 0.067 1.00 0.00 H new ATOM 0 HG21 ILE A 10 7.763 -7.833 1.807 1.00 0.00 H new ATOM 0 HG22 ILE A 10 8.316 -6.566 2.927 1.00 0.00 H new ATOM 0 HG23 ILE A 10 8.080 -6.189 1.204 1.00 0.00 H new ATOM 0 HD11 ILE A 10 9.329 -9.557 -1.000 1.00 0.00 H new ATOM 0 HD12 ILE A 10 9.458 -9.959 0.729 1.00 0.00 H new ATOM 0 HD13 ILE A 10 8.112 -8.950 0.147 1.00 0.00 H new ATOM 172 N GLU A 11 10.877 -5.869 4.183 1.00 0.00 N ATOM 173 CA GLU A 11 10.637 -5.195 5.450 1.00 0.00 C ATOM 174 C GLU A 11 11.344 -3.854 5.487 1.00 0.00 C ATOM 175 O GLU A 11 10.730 -2.834 5.776 1.00 0.00 O ATOM 176 CB GLU A 11 11.076 -6.057 6.637 1.00 0.00 C ATOM 177 CG GLU A 11 10.297 -7.348 6.774 1.00 0.00 C ATOM 178 CD GLU A 11 8.822 -7.114 6.944 1.00 0.00 C ATOM 179 OE1 GLU A 11 8.103 -7.026 5.954 1.00 0.00 O ATOM 180 OE2 GLU A 11 8.355 -7.035 8.084 1.00 0.00 O ATOM 0 H GLU A 11 11.353 -6.767 4.266 1.00 0.00 H new ATOM 0 HA GLU A 11 9.563 -5.029 5.533 1.00 0.00 H new ATOM 0 HB2 GLU A 11 12.135 -6.292 6.532 1.00 0.00 H new ATOM 0 HB3 GLU A 11 10.967 -5.479 7.554 1.00 0.00 H new ATOM 0 HG2 GLU A 11 10.464 -7.965 5.891 1.00 0.00 H new ATOM 0 HG3 GLU A 11 10.674 -7.907 7.630 1.00 0.00 H new ATOM 187 N ASN A 12 12.615 -3.862 5.146 1.00 0.00 N ATOM 188 CA ASN A 12 13.433 -2.657 5.127 1.00 0.00 C ATOM 189 C ASN A 12 12.866 -1.614 4.178 1.00 0.00 C ATOM 190 O ASN A 12 12.724 -0.463 4.546 1.00 0.00 O ATOM 191 CB ASN A 12 14.889 -2.991 4.751 1.00 0.00 C ATOM 192 CG ASN A 12 15.774 -1.757 4.577 1.00 0.00 C ATOM 193 OD1 ASN A 12 16.342 -1.243 5.537 1.00 0.00 O ATOM 194 ND2 ASN A 12 15.956 -1.318 3.352 1.00 0.00 N ATOM 0 H ASN A 12 13.117 -4.706 4.872 1.00 0.00 H new ATOM 0 HA ASN A 12 13.421 -2.236 6.132 1.00 0.00 H new ATOM 0 HB2 ASN A 12 15.318 -3.629 5.524 1.00 0.00 H new ATOM 0 HB3 ASN A 12 14.894 -3.565 3.824 1.00 0.00 H new ATOM 0 HD21 ASN A 12 16.582 -0.531 3.180 1.00 0.00 H new ATOM 0 HD22 ASN A 12 15.471 -1.764 2.573 1.00 0.00 H new ATOM 201 N LYS A 13 12.498 -2.043 2.987 1.00 0.00 N ATOM 202 CA LYS A 13 12.007 -1.153 1.942 1.00 0.00 C ATOM 203 C LYS A 13 10.677 -0.535 2.348 1.00 0.00 C ATOM 204 O LYS A 13 10.463 0.670 2.188 1.00 0.00 O ATOM 205 CB LYS A 13 11.851 -1.929 0.644 1.00 0.00 C ATOM 206 CG LYS A 13 11.775 -1.070 -0.605 1.00 0.00 C ATOM 207 CD LYS A 13 13.023 -0.224 -0.771 1.00 0.00 C ATOM 208 CE LYS A 13 14.293 -1.045 -0.746 1.00 0.00 C ATOM 209 NZ LYS A 13 15.476 -0.196 -0.915 1.00 0.00 N ATOM 0 H LYS A 13 12.530 -3.024 2.711 1.00 0.00 H new ATOM 0 HA LYS A 13 12.727 -0.348 1.796 1.00 0.00 H new ATOM 0 HB2 LYS A 13 12.691 -2.616 0.545 1.00 0.00 H new ATOM 0 HB3 LYS A 13 10.948 -2.536 0.706 1.00 0.00 H new ATOM 0 HG2 LYS A 13 11.647 -1.708 -1.480 1.00 0.00 H new ATOM 0 HG3 LYS A 13 10.899 -0.423 -0.551 1.00 0.00 H new ATOM 0 HD2 LYS A 13 12.965 0.320 -1.714 1.00 0.00 H new ATOM 0 HD3 LYS A 13 13.061 0.520 0.024 1.00 0.00 H new ATOM 0 HE2 LYS A 13 14.362 -1.585 0.198 1.00 0.00 H new ATOM 0 HE3 LYS A 13 14.262 -1.792 -1.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 16.317 -0.698 -0.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 15.601 0.028 -1.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 15.351 0.685 -0.377 1.00 0.00 H new ATOM 223 N LYS A 14 9.807 -1.376 2.872 1.00 0.00 N ATOM 224 CA LYS A 14 8.526 -0.995 3.407 1.00 0.00 C ATOM 225 C LYS A 14 8.751 0.082 4.466 1.00 0.00 C ATOM 226 O LYS A 14 8.176 1.155 4.403 1.00 0.00 O ATOM 227 CB LYS A 14 7.907 -2.242 4.052 1.00 0.00 C ATOM 228 CG LYS A 14 6.498 -2.103 4.591 1.00 0.00 C ATOM 229 CD LYS A 14 6.026 -3.423 5.219 1.00 0.00 C ATOM 230 CE LYS A 14 6.783 -3.741 6.501 1.00 0.00 C ATOM 231 NZ LYS A 14 6.486 -5.102 7.032 1.00 0.00 N ATOM 0 H LYS A 14 9.985 -2.378 2.937 1.00 0.00 H new ATOM 0 HA LYS A 14 7.865 -0.607 2.632 1.00 0.00 H new ATOM 0 HB2 LYS A 14 7.911 -3.044 3.314 1.00 0.00 H new ATOM 0 HB3 LYS A 14 8.554 -2.558 4.870 1.00 0.00 H new ATOM 0 HG2 LYS A 14 6.465 -1.308 5.335 1.00 0.00 H new ATOM 0 HG3 LYS A 14 5.822 -1.815 3.786 1.00 0.00 H new ATOM 0 HD2 LYS A 14 4.959 -3.363 5.432 1.00 0.00 H new ATOM 0 HD3 LYS A 14 6.163 -4.235 4.505 1.00 0.00 H new ATOM 0 HE2 LYS A 14 7.854 -3.656 6.315 1.00 0.00 H new ATOM 0 HE3 LYS A 14 6.531 -2.999 7.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 6.963 -5.229 7.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 5.459 -5.209 7.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 6.828 -5.819 6.361 1.00 0.00 H new ATOM 245 N LYS A 15 9.661 -0.202 5.395 1.00 0.00 N ATOM 246 CA LYS A 15 9.988 0.709 6.481 1.00 0.00 C ATOM 247 C LYS A 15 10.636 2.011 5.980 1.00 0.00 C ATOM 248 O LYS A 15 10.407 3.075 6.561 1.00 0.00 O ATOM 249 CB LYS A 15 10.846 0.004 7.546 1.00 0.00 C ATOM 250 CG LYS A 15 10.110 -1.154 8.238 1.00 0.00 C ATOM 251 CD LYS A 15 10.999 -2.014 9.166 1.00 0.00 C ATOM 252 CE LYS A 15 11.331 -1.366 10.518 1.00 0.00 C ATOM 253 NZ LYS A 15 12.214 -0.191 10.423 1.00 0.00 N ATOM 0 H LYS A 15 10.192 -1.073 5.413 1.00 0.00 H new ATOM 0 HA LYS A 15 9.051 1.005 6.953 1.00 0.00 H new ATOM 0 HB2 LYS A 15 11.754 -0.377 7.079 1.00 0.00 H new ATOM 0 HB3 LYS A 15 11.154 0.732 8.297 1.00 0.00 H new ATOM 0 HG2 LYS A 15 9.285 -0.746 8.822 1.00 0.00 H new ATOM 0 HG3 LYS A 15 9.673 -1.798 7.475 1.00 0.00 H new ATOM 0 HD2 LYS A 15 10.498 -2.965 9.348 1.00 0.00 H new ATOM 0 HD3 LYS A 15 11.931 -2.239 8.648 1.00 0.00 H new ATOM 0 HE2 LYS A 15 10.402 -1.070 11.004 1.00 0.00 H new ATOM 0 HE3 LYS A 15 11.803 -2.111 11.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 12.858 -0.173 11.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 12.770 -0.244 9.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 11.639 0.676 10.417 1.00 0.00 H new ATOM 267 N GLU A 16 11.432 1.933 4.905 1.00 0.00 N ATOM 268 CA GLU A 16 12.009 3.134 4.279 1.00 0.00 C ATOM 269 C GLU A 16 10.880 4.029 3.772 1.00 0.00 C ATOM 270 O GLU A 16 10.893 5.253 3.967 1.00 0.00 O ATOM 271 CB GLU A 16 12.954 2.798 3.096 1.00 0.00 C ATOM 272 CG GLU A 16 14.220 2.028 3.433 1.00 0.00 C ATOM 273 CD GLU A 16 15.217 2.008 2.273 1.00 0.00 C ATOM 274 OE1 GLU A 16 14.907 1.486 1.173 1.00 0.00 O ATOM 275 OE2 GLU A 16 16.320 2.549 2.427 1.00 0.00 O ATOM 0 H GLU A 16 11.691 1.057 4.452 1.00 0.00 H new ATOM 0 HA GLU A 16 12.602 3.641 5.040 1.00 0.00 H new ATOM 0 HB2 GLU A 16 12.390 2.222 2.363 1.00 0.00 H new ATOM 0 HB3 GLU A 16 13.242 3.732 2.614 1.00 0.00 H new ATOM 0 HG2 GLU A 16 14.693 2.476 4.307 1.00 0.00 H new ATOM 0 HG3 GLU A 16 13.959 1.004 3.702 1.00 0.00 H new ATOM 282 N LEU A 17 9.896 3.393 3.165 1.00 0.00 N ATOM 283 CA LEU A 17 8.732 4.054 2.613 1.00 0.00 C ATOM 284 C LEU A 17 7.857 4.646 3.699 1.00 0.00 C ATOM 285 O LEU A 17 7.375 5.772 3.562 1.00 0.00 O ATOM 286 CB LEU A 17 7.953 3.061 1.697 1.00 0.00 C ATOM 287 CG LEU A 17 6.519 3.413 1.234 1.00 0.00 C ATOM 288 CD1 LEU A 17 5.492 3.154 2.301 1.00 0.00 C ATOM 289 CD2 LEU A 17 6.427 4.819 0.675 1.00 0.00 C ATOM 0 H LEU A 17 9.885 2.381 3.040 1.00 0.00 H new ATOM 0 HA LEU A 17 9.059 4.895 2.002 1.00 0.00 H new ATOM 0 HB2 LEU A 17 8.555 2.902 0.802 1.00 0.00 H new ATOM 0 HB3 LEU A 17 7.902 2.106 2.220 1.00 0.00 H new ATOM 0 HG LEU A 17 6.284 2.736 0.413 1.00 0.00 H new ATOM 0 HD11 LEU A 17 4.503 3.417 1.926 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.508 2.099 2.573 1.00 0.00 H new ATOM 0 HD13 LEU A 17 5.719 3.758 3.179 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.402 5.020 0.363 1.00 0.00 H new ATOM 0 HD22 LEU A 17 6.720 5.536 1.442 1.00 0.00 H new ATOM 0 HD23 LEU A 17 7.092 4.914 -0.183 1.00 0.00 H new ATOM 301 N ILE A 18 7.631 3.889 4.753 1.00 0.00 N ATOM 302 CA ILE A 18 6.773 4.335 5.840 1.00 0.00 C ATOM 303 C ILE A 18 7.300 5.646 6.417 1.00 0.00 C ATOM 304 O ILE A 18 6.542 6.570 6.672 1.00 0.00 O ATOM 305 CB ILE A 18 6.643 3.267 6.952 1.00 0.00 C ATOM 306 CG1 ILE A 18 6.062 1.972 6.377 1.00 0.00 C ATOM 307 CG2 ILE A 18 5.731 3.789 8.056 1.00 0.00 C ATOM 308 CD1 ILE A 18 6.203 0.779 7.293 1.00 0.00 C ATOM 0 H ILE A 18 8.029 2.959 4.883 1.00 0.00 H new ATOM 0 HA ILE A 18 5.776 4.496 5.430 1.00 0.00 H new ATOM 0 HB ILE A 18 7.632 3.060 7.361 1.00 0.00 H new ATOM 0 HG12 ILE A 18 5.006 2.126 6.156 1.00 0.00 H new ATOM 0 HG13 ILE A 18 6.557 1.752 5.431 1.00 0.00 H new ATOM 0 HG21 ILE A 18 5.640 3.036 8.839 1.00 0.00 H new ATOM 0 HG22 ILE A 18 6.154 4.701 8.477 1.00 0.00 H new ATOM 0 HG23 ILE A 18 4.746 4.004 7.643 1.00 0.00 H new ATOM 0 HD11 ILE A 18 5.768 -0.099 6.816 1.00 0.00 H new ATOM 0 HD12 ILE A 18 7.259 0.597 7.494 1.00 0.00 H new ATOM 0 HD13 ILE A 18 5.684 0.977 8.231 1.00 0.00 H new ATOM 320 N GLN A 19 8.612 5.723 6.550 1.00 0.00 N ATOM 321 CA GLN A 19 9.286 6.929 7.014 1.00 0.00 C ATOM 322 C GLN A 19 9.038 8.099 6.057 1.00 0.00 C ATOM 323 O GLN A 19 8.925 9.255 6.479 1.00 0.00 O ATOM 324 CB GLN A 19 10.778 6.673 7.124 1.00 0.00 C ATOM 325 CG GLN A 19 11.169 5.694 8.208 1.00 0.00 C ATOM 326 CD GLN A 19 12.640 5.354 8.161 1.00 0.00 C ATOM 327 OE1 GLN A 19 13.476 6.030 8.778 1.00 0.00 O ATOM 328 NE2 GLN A 19 12.972 4.306 7.460 1.00 0.00 N ATOM 0 H GLN A 19 9.244 4.951 6.340 1.00 0.00 H new ATOM 0 HA GLN A 19 8.883 7.190 7.993 1.00 0.00 H new ATOM 0 HB2 GLN A 19 11.141 6.299 6.167 1.00 0.00 H new ATOM 0 HB3 GLN A 19 11.284 7.621 7.309 1.00 0.00 H new ATOM 0 HG2 GLN A 19 10.926 6.117 9.183 1.00 0.00 H new ATOM 0 HG3 GLN A 19 10.583 4.781 8.101 1.00 0.00 H new ATOM 0 HE21 GLN A 19 12.255 3.775 6.966 1.00 0.00 H new ATOM 0 HE22 GLN A 19 13.949 4.017 7.406 1.00 0.00 H new ATOM 337 N LEU A 20 8.925 7.790 4.783 1.00 0.00 N ATOM 338 CA LEU A 20 8.707 8.791 3.770 1.00 0.00 C ATOM 339 C LEU A 20 7.273 9.329 3.804 1.00 0.00 C ATOM 340 O LEU A 20 7.075 10.545 3.807 1.00 0.00 O ATOM 341 CB LEU A 20 9.089 8.279 2.380 1.00 0.00 C ATOM 342 CG LEU A 20 10.568 7.949 2.163 1.00 0.00 C ATOM 343 CD1 LEU A 20 10.787 7.394 0.771 1.00 0.00 C ATOM 344 CD2 LEU A 20 11.431 9.186 2.375 1.00 0.00 C ATOM 0 H LEU A 20 8.982 6.837 4.424 1.00 0.00 H new ATOM 0 HA LEU A 20 9.367 9.628 3.996 1.00 0.00 H new ATOM 0 HB2 LEU A 20 8.504 7.383 2.173 1.00 0.00 H new ATOM 0 HB3 LEU A 20 8.794 9.029 1.646 1.00 0.00 H new ATOM 0 HG LEU A 20 10.859 7.193 2.892 1.00 0.00 H new ATOM 0 HD11 LEU A 20 11.844 7.165 0.633 1.00 0.00 H new ATOM 0 HD12 LEU A 20 10.199 6.485 0.645 1.00 0.00 H new ATOM 0 HD13 LEU A 20 10.476 8.132 0.032 1.00 0.00 H new ATOM 0 HD21 LEU A 20 12.479 8.930 2.216 1.00 0.00 H new ATOM 0 HD22 LEU A 20 11.135 9.961 1.668 1.00 0.00 H new ATOM 0 HD23 LEU A 20 11.297 9.553 3.393 1.00 0.00 H new ATOM 356 N VAL A 21 6.256 8.446 3.827 1.00 0.00 N ATOM 357 CA VAL A 21 4.894 8.926 3.966 1.00 0.00 C ATOM 358 C VAL A 21 4.687 9.642 5.314 1.00 0.00 C ATOM 359 O VAL A 21 3.876 10.559 5.428 1.00 0.00 O ATOM 360 CB VAL A 21 3.847 7.820 3.800 1.00 0.00 C ATOM 361 CG1 VAL A 21 4.049 7.051 2.544 1.00 0.00 C ATOM 362 CG2 VAL A 21 3.743 6.919 4.989 1.00 0.00 C ATOM 0 H VAL A 21 6.358 7.434 3.753 1.00 0.00 H new ATOM 0 HA VAL A 21 4.748 9.638 3.154 1.00 0.00 H new ATOM 0 HB VAL A 21 2.886 8.330 3.725 1.00 0.00 H new ATOM 0 HG11 VAL A 21 3.286 6.277 2.465 1.00 0.00 H new ATOM 0 HG12 VAL A 21 3.974 7.724 1.690 1.00 0.00 H new ATOM 0 HG13 VAL A 21 5.036 6.588 2.556 1.00 0.00 H new ATOM 0 HG21 VAL A 21 2.984 6.159 4.804 1.00 0.00 H new ATOM 0 HG22 VAL A 21 4.704 6.436 5.165 1.00 0.00 H new ATOM 0 HG23 VAL A 21 3.465 7.504 5.866 1.00 0.00 H new ATOM 372 N ALA A 22 5.415 9.202 6.321 1.00 0.00 N ATOM 373 CA ALA A 22 5.343 9.786 7.633 1.00 0.00 C ATOM 374 C ALA A 22 5.802 11.235 7.604 1.00 0.00 C ATOM 375 O ALA A 22 5.088 12.129 8.076 1.00 0.00 O ATOM 376 CB ALA A 22 6.167 8.971 8.595 1.00 0.00 C ATOM 0 H ALA A 22 6.073 8.427 6.246 1.00 0.00 H new ATOM 0 HA ALA A 22 4.307 9.779 7.971 1.00 0.00 H new ATOM 0 HB1 ALA A 22 6.111 9.415 9.589 1.00 0.00 H new ATOM 0 HB2 ALA A 22 5.782 7.952 8.631 1.00 0.00 H new ATOM 0 HB3 ALA A 22 7.205 8.955 8.262 1.00 0.00 H new ATOM 382 N ARG A 23 6.961 11.477 6.983 1.00 0.00 N ATOM 383 CA ARG A 23 7.514 12.822 6.877 1.00 0.00 C ATOM 384 C ARG A 23 6.684 13.703 5.939 1.00 0.00 C ATOM 385 O ARG A 23 6.802 14.936 5.967 1.00 0.00 O ATOM 386 CB ARG A 23 8.997 12.817 6.495 1.00 0.00 C ATOM 387 CG ARG A 23 9.300 12.243 5.134 1.00 0.00 C ATOM 388 CD ARG A 23 10.790 12.196 4.872 1.00 0.00 C ATOM 389 NE ARG A 23 11.503 11.329 5.829 1.00 0.00 N ATOM 390 CZ ARG A 23 12.832 11.123 5.816 1.00 0.00 C ATOM 391 NH1 ARG A 23 13.585 11.710 4.882 1.00 0.00 N ATOM 392 NH2 ARG A 23 13.400 10.333 6.729 1.00 0.00 N ATOM 0 H ARG A 23 7.532 10.754 6.546 1.00 0.00 H new ATOM 0 HA ARG A 23 7.455 13.264 7.872 1.00 0.00 H new ATOM 0 HB2 ARG A 23 9.370 13.840 6.533 1.00 0.00 H new ATOM 0 HB3 ARG A 23 9.548 12.248 7.244 1.00 0.00 H new ATOM 0 HG2 ARG A 23 8.885 11.238 5.061 1.00 0.00 H new ATOM 0 HG3 ARG A 23 8.813 12.846 4.367 1.00 0.00 H new ATOM 0 HD2 ARG A 23 10.967 11.836 3.859 1.00 0.00 H new ATOM 0 HD3 ARG A 23 11.198 13.205 4.927 1.00 0.00 H new ATOM 0 HE ARG A 23 10.953 10.856 6.546 1.00 0.00 H new ATOM 0 HH11 ARG A 23 13.152 12.312 4.182 1.00 0.00 H new ATOM 0 HH12 ARG A 23 14.593 11.556 4.869 1.00 0.00 H new ATOM 0 HH21 ARG A 23 12.826 9.882 7.441 1.00 0.00 H new ATOM 0 HH22 ARG A 23 14.408 10.180 6.715 1.00 0.00 H new ATOM 406 N HIS A 24 5.866 13.064 5.085 1.00 0.00 N ATOM 407 CA HIS A 24 4.915 13.780 4.225 1.00 0.00 C ATOM 408 C HIS A 24 4.005 14.634 5.103 1.00 0.00 C ATOM 409 O HIS A 24 3.695 15.777 4.772 1.00 0.00 O ATOM 410 CB HIS A 24 4.054 12.786 3.401 1.00 0.00 C ATOM 411 CG HIS A 24 3.057 13.435 2.462 1.00 0.00 C ATOM 412 ND1 HIS A 24 1.738 13.690 2.778 1.00 0.00 N ATOM 413 CD2 HIS A 24 3.218 13.874 1.196 1.00 0.00 C ATOM 414 CE1 HIS A 24 1.161 14.260 1.718 1.00 0.00 C ATOM 415 NE2 HIS A 24 2.020 14.400 0.728 1.00 0.00 N ATOM 0 H HIS A 24 5.846 12.050 4.974 1.00 0.00 H new ATOM 0 HA HIS A 24 5.471 14.408 3.529 1.00 0.00 H new ATOM 0 HB2 HIS A 24 4.719 12.148 2.818 1.00 0.00 H new ATOM 0 HB3 HIS A 24 3.513 12.137 4.090 1.00 0.00 H new ATOM 0 HD2 HIS A 24 4.138 13.824 0.632 1.00 0.00 H new ATOM 0 HE1 HIS A 24 0.126 14.566 1.677 1.00 0.00 H new ATOM 0 HE2 HIS A 24 1.842 14.809 -0.189 1.00 0.00 H new ATOM 423 N GLY A 25 3.596 14.073 6.216 1.00 0.00 N ATOM 424 CA GLY A 25 2.779 14.801 7.135 1.00 0.00 C ATOM 425 C GLY A 25 1.768 13.933 7.823 1.00 0.00 C ATOM 426 O GLY A 25 0.590 14.294 7.899 1.00 0.00 O ATOM 0 H GLY A 25 3.818 13.119 6.499 1.00 0.00 H new ATOM 0 HA2 GLY A 25 3.414 15.275 7.883 1.00 0.00 H new ATOM 0 HA3 GLY A 25 2.263 15.600 6.602 1.00 0.00 H new ATOM 430 N LEU A 26 2.193 12.787 8.313 1.00 0.00 N ATOM 431 CA LEU A 26 1.280 11.929 9.030 1.00 0.00 C ATOM 432 C LEU A 26 1.328 12.155 10.506 1.00 0.00 C ATOM 433 O LEU A 26 2.341 12.597 11.059 1.00 0.00 O ATOM 434 CB LEU A 26 1.511 10.440 8.749 1.00 0.00 C ATOM 435 CG LEU A 26 1.056 9.923 7.403 1.00 0.00 C ATOM 436 CD1 LEU A 26 1.174 8.419 7.288 1.00 0.00 C ATOM 437 CD2 LEU A 26 -0.328 10.400 7.055 1.00 0.00 C ATOM 0 H LEU A 26 3.147 12.435 8.230 1.00 0.00 H new ATOM 0 HA LEU A 26 0.293 12.202 8.657 1.00 0.00 H new ATOM 0 HB2 LEU A 26 2.577 10.237 8.849 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.003 9.865 9.523 1.00 0.00 H new ATOM 0 HG LEU A 26 1.739 10.346 6.667 1.00 0.00 H new ATOM 0 HD11 LEU A 26 0.834 8.102 6.302 1.00 0.00 H new ATOM 0 HD12 LEU A 26 2.214 8.124 7.425 1.00 0.00 H new ATOM 0 HD13 LEU A 26 0.559 7.946 8.053 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -0.615 10.005 6.080 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.033 10.052 7.809 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.340 11.489 7.023 1.00 0.00 H new ATOM 449 N ASP A 27 0.217 11.865 11.137 1.00 0.00 N ATOM 450 CA ASP A 27 0.123 11.841 12.582 1.00 0.00 C ATOM 451 C ASP A 27 0.863 10.585 12.998 1.00 0.00 C ATOM 452 O ASP A 27 0.984 9.661 12.177 1.00 0.00 O ATOM 453 CB ASP A 27 -1.347 11.690 13.043 1.00 0.00 C ATOM 454 CG ASP A 27 -2.327 12.651 12.400 1.00 0.00 C ATOM 455 OD1 ASP A 27 -2.729 12.424 11.236 1.00 0.00 O ATOM 456 OD2 ASP A 27 -2.739 13.624 13.034 1.00 0.00 O ATOM 0 H ASP A 27 -0.656 11.637 10.662 1.00 0.00 H new ATOM 0 HA ASP A 27 0.523 12.759 13.012 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -1.673 10.671 12.836 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -1.388 11.824 14.124 1.00 0.00 H new ATOM 461 N HIS A 28 1.325 10.507 14.223 1.00 0.00 N ATOM 462 CA HIS A 28 2.052 9.319 14.684 1.00 0.00 C ATOM 463 C HIS A 28 1.163 8.072 14.549 1.00 0.00 C ATOM 464 O HIS A 28 1.622 7.009 14.130 1.00 0.00 O ATOM 465 CB HIS A 28 2.536 9.493 16.136 1.00 0.00 C ATOM 466 CG HIS A 28 3.427 8.379 16.623 1.00 0.00 C ATOM 467 ND1 HIS A 28 3.016 7.378 17.469 1.00 0.00 N ATOM 468 CD2 HIS A 28 4.733 8.128 16.365 1.00 0.00 C ATOM 469 CE1 HIS A 28 4.044 6.568 17.696 1.00 0.00 C ATOM 470 NE2 HIS A 28 5.118 6.978 17.050 1.00 0.00 N ATOM 0 H HIS A 28 1.218 11.240 14.924 1.00 0.00 H new ATOM 0 HA HIS A 28 2.934 9.189 14.056 1.00 0.00 H new ATOM 0 HB2 HIS A 28 3.074 10.437 16.218 1.00 0.00 H new ATOM 0 HB3 HIS A 28 1.668 9.563 16.792 1.00 0.00 H new ATOM 0 HD2 HIS A 28 5.373 8.724 15.730 1.00 0.00 H new ATOM 0 HE1 HIS A 28 4.005 5.691 18.325 1.00 0.00 H new ATOM 0 HE2 HIS A 28 6.040 6.543 17.052 1.00 0.00 H new ATOM 478 N ASP A 29 -0.122 8.245 14.847 1.00 0.00 N ATOM 479 CA ASP A 29 -1.114 7.172 14.729 1.00 0.00 C ATOM 480 C ASP A 29 -1.271 6.724 13.283 1.00 0.00 C ATOM 481 O ASP A 29 -1.453 5.543 13.011 1.00 0.00 O ATOM 482 CB ASP A 29 -2.487 7.599 15.282 1.00 0.00 C ATOM 483 CG ASP A 29 -2.541 7.706 16.791 1.00 0.00 C ATOM 484 OD1 ASP A 29 -2.284 8.793 17.347 1.00 0.00 O ATOM 485 OD2 ASP A 29 -2.884 6.710 17.454 1.00 0.00 O ATOM 0 H ASP A 29 -0.508 9.130 15.177 1.00 0.00 H new ATOM 0 HA ASP A 29 -0.743 6.338 15.325 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -2.756 8.563 14.851 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -3.238 6.881 14.953 1.00 0.00 H new ATOM 490 N LYS A 30 -1.158 7.672 12.356 1.00 0.00 N ATOM 491 CA LYS A 30 -1.292 7.391 10.925 1.00 0.00 C ATOM 492 C LYS A 30 -0.200 6.473 10.466 1.00 0.00 C ATOM 493 O LYS A 30 -0.466 5.505 9.788 1.00 0.00 O ATOM 494 CB LYS A 30 -1.255 8.683 10.114 1.00 0.00 C ATOM 495 CG LYS A 30 -2.449 9.574 10.319 1.00 0.00 C ATOM 496 CD LYS A 30 -3.731 9.004 9.753 1.00 0.00 C ATOM 497 CE LYS A 30 -4.906 9.922 10.071 1.00 0.00 C ATOM 498 NZ LYS A 30 -4.651 11.322 9.652 1.00 0.00 N ATOM 0 H LYS A 30 -0.972 8.652 12.571 1.00 0.00 H new ATOM 0 HA LYS A 30 -2.255 6.905 10.766 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -0.353 9.237 10.375 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -1.180 8.433 9.056 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -2.580 9.753 11.386 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -2.255 10.541 9.855 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -3.637 8.883 8.674 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -3.912 8.013 10.170 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -5.800 9.552 9.570 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -5.106 9.896 11.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -5.556 11.824 9.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -4.069 11.799 10.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -4.149 11.326 8.741 1.00 0.00 H new ATOM 512 N VAL A 31 1.020 6.772 10.884 1.00 0.00 N ATOM 513 CA VAL A 31 2.194 5.979 10.538 1.00 0.00 C ATOM 514 C VAL A 31 1.995 4.522 10.997 1.00 0.00 C ATOM 515 O VAL A 31 2.277 3.565 10.256 1.00 0.00 O ATOM 516 CB VAL A 31 3.468 6.569 11.213 1.00 0.00 C ATOM 517 CG1 VAL A 31 4.719 5.833 10.781 1.00 0.00 C ATOM 518 CG2 VAL A 31 3.598 8.055 10.927 1.00 0.00 C ATOM 0 H VAL A 31 1.227 7.576 11.476 1.00 0.00 H new ATOM 0 HA VAL A 31 2.324 6.005 9.456 1.00 0.00 H new ATOM 0 HB VAL A 31 3.357 6.434 12.289 1.00 0.00 H new ATOM 0 HG11 VAL A 31 5.587 6.272 11.272 1.00 0.00 H new ATOM 0 HG12 VAL A 31 4.637 4.782 11.060 1.00 0.00 H new ATOM 0 HG13 VAL A 31 4.834 5.914 9.700 1.00 0.00 H new ATOM 0 HG21 VAL A 31 4.496 8.441 11.410 1.00 0.00 H new ATOM 0 HG22 VAL A 31 3.668 8.214 9.851 1.00 0.00 H new ATOM 0 HG23 VAL A 31 2.724 8.578 11.315 1.00 0.00 H new ATOM 528 N LEU A 32 1.464 4.376 12.193 1.00 0.00 N ATOM 529 CA LEU A 32 1.196 3.079 12.784 1.00 0.00 C ATOM 530 C LEU A 32 0.102 2.351 12.021 1.00 0.00 C ATOM 531 O LEU A 32 0.298 1.231 11.577 1.00 0.00 O ATOM 532 CB LEU A 32 0.813 3.250 14.251 1.00 0.00 C ATOM 533 CG LEU A 32 1.830 4.008 15.112 1.00 0.00 C ATOM 534 CD1 LEU A 32 1.344 4.117 16.530 1.00 0.00 C ATOM 535 CD2 LEU A 32 3.200 3.346 15.066 1.00 0.00 C ATOM 0 H LEU A 32 1.203 5.162 12.789 1.00 0.00 H new ATOM 0 HA LEU A 32 2.100 2.473 12.724 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -0.142 3.773 14.301 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.658 2.263 14.686 1.00 0.00 H new ATOM 0 HG LEU A 32 1.932 5.012 14.700 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.079 4.658 17.126 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.395 4.653 16.549 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.205 3.119 16.945 1.00 0.00 H new ATOM 0 HD21 LEU A 32 3.897 3.909 15.687 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.123 2.325 15.440 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.562 3.330 14.038 1.00 0.00 H new ATOM 547 N LEU A 33 -1.022 3.004 11.823 1.00 0.00 N ATOM 548 CA LEU A 33 -2.148 2.396 11.119 1.00 0.00 C ATOM 549 C LEU A 33 -1.778 2.036 9.687 1.00 0.00 C ATOM 550 O LEU A 33 -2.143 0.958 9.193 1.00 0.00 O ATOM 551 CB LEU A 33 -3.353 3.323 11.127 1.00 0.00 C ATOM 552 CG LEU A 33 -3.923 3.674 12.500 1.00 0.00 C ATOM 553 CD1 LEU A 33 -5.023 4.699 12.365 1.00 0.00 C ATOM 554 CD2 LEU A 33 -4.445 2.432 13.203 1.00 0.00 C ATOM 0 H LEU A 33 -1.188 3.960 12.138 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.406 1.478 11.646 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.076 4.249 10.624 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -4.144 2.862 10.535 1.00 0.00 H new ATOM 0 HG LEU A 33 -3.120 4.097 13.104 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.420 4.939 13.351 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.624 5.603 11.904 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -5.821 4.296 11.741 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -4.846 2.707 14.179 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -5.233 1.978 12.602 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -3.631 1.719 13.333 1.00 0.00 H new ATOM 566 N PHE A 34 -1.047 2.923 9.047 1.00 0.00 N ATOM 567 CA PHE A 34 -0.588 2.739 7.689 1.00 0.00 C ATOM 568 C PHE A 34 0.319 1.518 7.569 1.00 0.00 C ATOM 569 O PHE A 34 0.081 0.647 6.736 1.00 0.00 O ATOM 570 CB PHE A 34 0.138 4.009 7.204 1.00 0.00 C ATOM 571 CG PHE A 34 0.804 3.863 5.879 1.00 0.00 C ATOM 572 CD1 PHE A 34 0.060 3.836 4.716 1.00 0.00 C ATOM 573 CD2 PHE A 34 2.180 3.721 5.801 1.00 0.00 C ATOM 574 CE1 PHE A 34 0.676 3.671 3.504 1.00 0.00 C ATOM 575 CE2 PHE A 34 2.794 3.547 4.592 1.00 0.00 C ATOM 576 CZ PHE A 34 2.046 3.527 3.448 1.00 0.00 C ATOM 0 H PHE A 34 -0.751 3.806 9.463 1.00 0.00 H new ATOM 0 HA PHE A 34 -1.457 2.563 7.054 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -0.581 4.826 7.149 1.00 0.00 H new ATOM 0 HB3 PHE A 34 0.886 4.292 7.945 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -1.013 3.946 4.762 1.00 0.00 H new ATOM 0 HD2 PHE A 34 2.773 3.748 6.703 1.00 0.00 H new ATOM 0 HE1 PHE A 34 0.091 3.654 2.596 1.00 0.00 H new ATOM 0 HE2 PHE A 34 3.866 3.426 4.541 1.00 0.00 H new ATOM 0 HZ PHE A 34 2.532 3.397 2.492 1.00 0.00 H new ATOM 586 N SER A 35 1.327 1.445 8.420 1.00 0.00 N ATOM 587 CA SER A 35 2.292 0.367 8.360 1.00 0.00 C ATOM 588 C SER A 35 1.649 -1.006 8.582 1.00 0.00 C ATOM 589 O SER A 35 1.958 -1.961 7.872 1.00 0.00 O ATOM 590 CB SER A 35 3.447 0.634 9.331 1.00 0.00 C ATOM 591 OG SER A 35 2.982 0.949 10.629 1.00 0.00 O ATOM 0 H SER A 35 1.497 2.123 9.163 1.00 0.00 H new ATOM 0 HA SER A 35 2.701 0.339 7.350 1.00 0.00 H new ATOM 0 HB2 SER A 35 4.091 -0.244 9.379 1.00 0.00 H new ATOM 0 HB3 SER A 35 4.056 1.456 8.954 1.00 0.00 H new ATOM 0 HG SER A 35 2.732 1.896 10.666 1.00 0.00 H new ATOM 597 N ARG A 36 0.731 -1.073 9.529 1.00 0.00 N ATOM 598 CA ARG A 36 0.024 -2.310 9.850 1.00 0.00 C ATOM 599 C ARG A 36 -0.821 -2.784 8.666 1.00 0.00 C ATOM 600 O ARG A 36 -0.848 -3.982 8.337 1.00 0.00 O ATOM 601 CB ARG A 36 -0.886 -2.089 11.053 1.00 0.00 C ATOM 602 CG ARG A 36 -0.165 -1.655 12.305 1.00 0.00 C ATOM 603 CD ARG A 36 -1.143 -1.385 13.434 1.00 0.00 C ATOM 604 NE ARG A 36 -1.868 -2.601 13.839 1.00 0.00 N ATOM 605 CZ ARG A 36 -3.207 -2.741 13.837 1.00 0.00 C ATOM 606 NH1 ARG A 36 -3.977 -1.809 13.273 1.00 0.00 N ATOM 607 NH2 ARG A 36 -3.763 -3.834 14.339 1.00 0.00 N ATOM 0 H ARG A 36 0.451 -0.275 10.100 1.00 0.00 H new ATOM 0 HA ARG A 36 0.768 -3.073 10.079 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -1.631 -1.335 10.797 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -1.426 -3.013 11.260 1.00 0.00 H new ATOM 0 HG2 ARG A 36 0.541 -2.428 12.608 1.00 0.00 H new ATOM 0 HG3 ARG A 36 0.416 -0.756 12.100 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -0.604 -0.982 14.291 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -1.858 -0.624 13.120 1.00 0.00 H new ATOM 0 HE ARG A 36 -1.312 -3.400 14.145 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -3.551 -0.988 12.842 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -4.991 -1.917 13.273 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -3.176 -4.572 14.728 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -4.778 -3.937 14.336 1.00 0.00 H new ATOM 621 N ASP A 37 -1.486 -1.847 8.028 1.00 0.00 N ATOM 622 CA ASP A 37 -2.393 -2.149 6.920 1.00 0.00 C ATOM 623 C ASP A 37 -1.591 -2.514 5.674 1.00 0.00 C ATOM 624 O ASP A 37 -1.883 -3.503 5.006 1.00 0.00 O ATOM 625 CB ASP A 37 -3.279 -0.926 6.639 1.00 0.00 C ATOM 626 CG ASP A 37 -4.478 -1.213 5.747 1.00 0.00 C ATOM 627 OD1 ASP A 37 -4.366 -1.939 4.743 1.00 0.00 O ATOM 628 OD2 ASP A 37 -5.594 -0.757 6.078 1.00 0.00 O ATOM 0 H ASP A 37 -1.421 -0.855 8.254 1.00 0.00 H new ATOM 0 HA ASP A 37 -3.024 -2.996 7.189 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -3.635 -0.524 7.588 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -2.671 -0.151 6.172 1.00 0.00 H new ATOM 633 N LEU A 38 -0.556 -1.744 5.396 1.00 0.00 N ATOM 634 CA LEU A 38 0.288 -1.977 4.228 1.00 0.00 C ATOM 635 C LEU A 38 0.952 -3.348 4.344 1.00 0.00 C ATOM 636 O LEU A 38 1.053 -4.092 3.368 1.00 0.00 O ATOM 637 CB LEU A 38 1.319 -0.821 4.092 1.00 0.00 C ATOM 638 CG LEU A 38 2.187 -0.757 2.810 1.00 0.00 C ATOM 639 CD1 LEU A 38 2.836 0.565 2.704 1.00 0.00 C ATOM 640 CD2 LEU A 38 3.284 -1.726 2.852 1.00 0.00 C ATOM 0 H LEU A 38 -0.274 -0.945 5.964 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.312 -1.984 3.318 1.00 0.00 H new ATOM 0 HB2 LEU A 38 0.775 0.120 4.173 1.00 0.00 H new ATOM 0 HB3 LEU A 38 1.993 -0.874 4.947 1.00 0.00 H new ATOM 0 HG LEU A 38 1.517 -0.962 1.975 1.00 0.00 H new ATOM 0 HD11 LEU A 38 3.444 0.600 1.800 1.00 0.00 H new ATOM 0 HD12 LEU A 38 2.073 1.342 2.659 1.00 0.00 H new ATOM 0 HD13 LEU A 38 3.471 0.730 3.575 1.00 0.00 H new ATOM 0 HD21 LEU A 38 3.871 -1.652 1.936 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.923 -1.516 3.710 1.00 0.00 H new ATOM 0 HD23 LEU A 38 2.877 -2.733 2.941 1.00 0.00 H new ATOM 652 N ASP A 39 1.340 -3.689 5.556 1.00 0.00 N ATOM 653 CA ASP A 39 1.960 -4.970 5.859 1.00 0.00 C ATOM 654 C ASP A 39 1.029 -6.133 5.507 1.00 0.00 C ATOM 655 O ASP A 39 1.472 -7.163 4.974 1.00 0.00 O ATOM 656 CB ASP A 39 2.340 -5.023 7.337 1.00 0.00 C ATOM 657 CG ASP A 39 3.006 -6.309 7.747 1.00 0.00 C ATOM 658 OD1 ASP A 39 4.225 -6.436 7.559 1.00 0.00 O ATOM 659 OD2 ASP A 39 2.328 -7.194 8.320 1.00 0.00 O ATOM 0 H ASP A 39 1.234 -3.081 6.368 1.00 0.00 H new ATOM 0 HA ASP A 39 2.860 -5.068 5.252 1.00 0.00 H new ATOM 0 HB2 ASP A 39 3.008 -4.191 7.561 1.00 0.00 H new ATOM 0 HB3 ASP A 39 1.442 -4.882 7.939 1.00 0.00 H new ATOM 664 N LYS A 40 -0.276 -5.956 5.735 1.00 0.00 N ATOM 665 CA LYS A 40 -1.212 -7.032 5.449 1.00 0.00 C ATOM 666 C LYS A 40 -1.417 -7.177 3.950 1.00 0.00 C ATOM 667 O LYS A 40 -1.578 -8.283 3.437 1.00 0.00 O ATOM 668 CB LYS A 40 -2.569 -6.865 6.154 1.00 0.00 C ATOM 669 CG LYS A 40 -3.593 -5.940 5.487 1.00 0.00 C ATOM 670 CD LYS A 40 -4.969 -6.142 6.103 1.00 0.00 C ATOM 671 CE LYS A 40 -6.069 -5.334 5.411 1.00 0.00 C ATOM 672 NZ LYS A 40 -5.968 -3.884 5.651 1.00 0.00 N ATOM 0 H LYS A 40 -0.693 -5.102 6.106 1.00 0.00 H new ATOM 0 HA LYS A 40 -0.761 -7.940 5.849 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -3.021 -7.852 6.256 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -2.383 -6.493 7.162 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -3.284 -4.901 5.603 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -3.633 -6.143 4.417 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -5.226 -7.201 6.062 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -4.932 -5.864 7.156 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -6.027 -5.521 4.338 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -7.041 -5.685 5.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -6.891 -3.438 5.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -5.682 -3.714 6.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -5.259 -3.474 5.009 1.00 0.00 H new ATOM 686 N LEU A 41 -1.376 -6.050 3.256 1.00 0.00 N ATOM 687 CA LEU A 41 -1.550 -6.008 1.822 1.00 0.00 C ATOM 688 C LEU A 41 -0.419 -6.746 1.134 1.00 0.00 C ATOM 689 O LEU A 41 -0.629 -7.444 0.137 1.00 0.00 O ATOM 690 CB LEU A 41 -1.631 -4.554 1.349 1.00 0.00 C ATOM 691 CG LEU A 41 -1.660 -4.314 -0.166 1.00 0.00 C ATOM 692 CD1 LEU A 41 -2.815 -5.033 -0.829 1.00 0.00 C ATOM 693 CD2 LEU A 41 -1.739 -2.839 -0.446 1.00 0.00 C ATOM 0 H LEU A 41 -1.220 -5.135 3.680 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.483 -6.505 1.559 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -2.527 -4.107 1.780 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -0.777 -4.016 1.761 1.00 0.00 H new ATOM 0 HG LEU A 41 -0.739 -4.718 -0.586 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -2.799 -4.837 -1.901 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.724 -6.105 -0.655 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -3.755 -4.676 -0.409 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -1.759 -2.674 -1.523 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -2.646 -2.432 0.001 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -0.869 -2.340 -0.019 1.00 0.00 H new ATOM 705 N ILE A 42 0.751 -6.647 1.712 1.00 0.00 N ATOM 706 CA ILE A 42 1.923 -7.303 1.154 1.00 0.00 C ATOM 707 C ILE A 42 1.769 -8.798 1.288 1.00 0.00 C ATOM 708 O ILE A 42 1.745 -9.513 0.291 1.00 0.00 O ATOM 709 CB ILE A 42 3.246 -6.834 1.825 1.00 0.00 C ATOM 710 CG1 ILE A 42 3.447 -5.340 1.595 1.00 0.00 C ATOM 711 CG2 ILE A 42 4.441 -7.620 1.291 1.00 0.00 C ATOM 712 CD1 ILE A 42 4.729 -4.791 2.171 1.00 0.00 C ATOM 0 H ILE A 42 0.925 -6.121 2.568 1.00 0.00 H new ATOM 0 HA ILE A 42 1.990 -7.026 0.102 1.00 0.00 H new ATOM 0 HB ILE A 42 3.172 -7.022 2.896 1.00 0.00 H new ATOM 0 HG12 ILE A 42 3.430 -5.144 0.523 1.00 0.00 H new ATOM 0 HG13 ILE A 42 2.606 -4.801 2.031 1.00 0.00 H new ATOM 0 HG21 ILE A 42 5.352 -7.272 1.777 1.00 0.00 H new ATOM 0 HG22 ILE A 42 4.301 -8.681 1.499 1.00 0.00 H new ATOM 0 HG23 ILE A 42 4.524 -7.470 0.215 1.00 0.00 H new ATOM 0 HD11 ILE A 42 4.793 -3.723 1.963 1.00 0.00 H new ATOM 0 HD12 ILE A 42 4.742 -4.952 3.249 1.00 0.00 H new ATOM 0 HD13 ILE A 42 5.579 -5.301 1.718 1.00 0.00 H new ATOM 724 N ASN A 43 1.581 -9.245 2.514 1.00 0.00 N ATOM 725 CA ASN A 43 1.409 -10.665 2.831 1.00 0.00 C ATOM 726 C ASN A 43 0.264 -11.295 2.044 1.00 0.00 C ATOM 727 O ASN A 43 0.348 -12.470 1.652 1.00 0.00 O ATOM 728 CB ASN A 43 1.204 -10.889 4.330 1.00 0.00 C ATOM 729 CG ASN A 43 2.481 -10.715 5.157 1.00 0.00 C ATOM 730 OD1 ASN A 43 3.220 -11.674 5.370 1.00 0.00 O ATOM 731 ND2 ASN A 43 2.744 -9.525 5.639 1.00 0.00 N ATOM 0 H ASN A 43 1.542 -8.635 3.331 1.00 0.00 H new ATOM 0 HA ASN A 43 2.334 -11.159 2.532 1.00 0.00 H new ATOM 0 HB2 ASN A 43 0.449 -10.192 4.693 1.00 0.00 H new ATOM 0 HB3 ASN A 43 0.813 -11.894 4.488 1.00 0.00 H new ATOM 0 HD21 ASN A 43 3.579 -9.378 6.206 1.00 0.00 H new ATOM 0 HD22 ASN A 43 2.114 -8.746 5.447 1.00 0.00 H new ATOM 738 N LYS A 44 -0.784 -10.511 1.796 1.00 0.00 N ATOM 739 CA LYS A 44 -1.935 -10.952 1.011 1.00 0.00 C ATOM 740 C LYS A 44 -1.477 -11.393 -0.376 1.00 0.00 C ATOM 741 O LYS A 44 -1.770 -12.500 -0.825 1.00 0.00 O ATOM 742 CB LYS A 44 -2.930 -9.790 0.839 1.00 0.00 C ATOM 743 CG LYS A 44 -4.200 -10.162 0.070 1.00 0.00 C ATOM 744 CD LYS A 44 -4.958 -8.935 -0.452 1.00 0.00 C ATOM 745 CE LYS A 44 -5.402 -7.979 0.648 1.00 0.00 C ATOM 746 NZ LYS A 44 -6.185 -6.854 0.097 1.00 0.00 N ATOM 0 H LYS A 44 -0.859 -9.552 2.134 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.412 -11.781 1.533 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -3.211 -9.418 1.824 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -2.430 -8.972 0.320 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -3.936 -10.805 -0.770 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -4.857 -10.740 0.720 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -4.322 -8.397 -1.154 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -5.834 -9.269 -1.007 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -6.002 -8.518 1.381 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -4.528 -7.594 1.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -6.473 -6.220 0.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -5.603 -6.327 -0.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -7.031 -7.222 -0.383 1.00 0.00 H new ATOM 760 N PHE A 45 -0.703 -10.547 -1.008 1.00 0.00 N ATOM 761 CA PHE A 45 -0.237 -10.787 -2.347 1.00 0.00 C ATOM 762 C PHE A 45 0.868 -11.784 -2.419 1.00 0.00 C ATOM 763 O PHE A 45 0.915 -12.584 -3.355 1.00 0.00 O ATOM 764 CB PHE A 45 0.104 -9.484 -3.053 1.00 0.00 C ATOM 765 CG PHE A 45 -1.125 -8.860 -3.608 1.00 0.00 C ATOM 766 CD1 PHE A 45 -1.529 -9.176 -4.880 1.00 0.00 C ATOM 767 CD2 PHE A 45 -1.905 -8.013 -2.849 1.00 0.00 C ATOM 768 CE1 PHE A 45 -2.689 -8.666 -5.395 1.00 0.00 C ATOM 769 CE2 PHE A 45 -3.069 -7.484 -3.362 1.00 0.00 C ATOM 770 CZ PHE A 45 -3.462 -7.813 -4.637 1.00 0.00 C ATOM 0 H PHE A 45 -0.378 -9.668 -0.604 1.00 0.00 H new ATOM 0 HA PHE A 45 -1.066 -11.245 -2.887 1.00 0.00 H new ATOM 0 HB2 PHE A 45 0.584 -8.799 -2.354 1.00 0.00 H new ATOM 0 HB3 PHE A 45 0.818 -9.673 -3.855 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -0.923 -9.836 -5.483 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -1.601 -7.762 -1.844 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -2.999 -8.932 -6.395 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -3.670 -6.814 -2.765 1.00 0.00 H new ATOM 0 HZ PHE A 45 -4.375 -7.404 -5.044 1.00 0.00 H new ATOM 780 N MET A 46 1.716 -11.798 -1.404 1.00 0.00 N ATOM 781 CA MET A 46 2.855 -12.713 -1.386 1.00 0.00 C ATOM 782 C MET A 46 2.365 -14.154 -1.379 1.00 0.00 C ATOM 783 O MET A 46 3.020 -15.042 -1.917 1.00 0.00 O ATOM 784 CB MET A 46 3.762 -12.495 -0.172 1.00 0.00 C ATOM 785 CG MET A 46 4.264 -11.079 0.014 1.00 0.00 C ATOM 786 SD MET A 46 5.586 -10.961 1.228 1.00 0.00 S ATOM 787 CE MET A 46 6.885 -11.786 0.335 1.00 0.00 C ATOM 0 H MET A 46 1.642 -11.193 -0.586 1.00 0.00 H new ATOM 0 HA MET A 46 3.437 -12.509 -2.284 1.00 0.00 H new ATOM 0 HB2 MET A 46 3.218 -12.791 0.725 1.00 0.00 H new ATOM 0 HB3 MET A 46 4.622 -13.160 -0.257 1.00 0.00 H new ATOM 0 HG2 MET A 46 4.620 -10.696 -0.942 1.00 0.00 H new ATOM 0 HG3 MET A 46 3.435 -10.442 0.323 1.00 0.00 H new ATOM 0 HE1 MET A 46 7.849 -11.521 0.768 1.00 0.00 H new ATOM 0 HE2 MET A 46 6.742 -12.865 0.399 1.00 0.00 H new ATOM 0 HE3 MET A 46 6.860 -11.478 -0.710 1.00 0.00 H new ATOM 1151 N LEU B 6 9.583 14.784 -2.633 1.00 0.00 N ATOM 1152 CA LEU B 6 9.325 13.872 -1.541 1.00 0.00 C ATOM 1153 C LEU B 6 8.362 12.770 -1.997 1.00 0.00 C ATOM 1154 O LEU B 6 8.612 11.584 -1.777 1.00 0.00 O ATOM 1155 CB LEU B 6 8.802 14.691 -0.316 1.00 0.00 C ATOM 1156 CG LEU B 6 8.342 13.959 0.976 1.00 0.00 C ATOM 1157 CD1 LEU B 6 6.921 13.453 0.852 1.00 0.00 C ATOM 1158 CD2 LEU B 6 9.289 12.816 1.341 1.00 0.00 C ATOM 0 HA LEU B 6 10.238 13.365 -1.228 1.00 0.00 H new ATOM 0 HB2 LEU B 6 9.592 15.385 -0.030 1.00 0.00 H new ATOM 0 HB3 LEU B 6 7.961 15.291 -0.664 1.00 0.00 H new ATOM 0 HG LEU B 6 8.370 14.691 1.783 1.00 0.00 H new ATOM 0 HD11 LEU B 6 6.633 12.947 1.773 1.00 0.00 H new ATOM 0 HD12 LEU B 6 6.250 14.293 0.675 1.00 0.00 H new ATOM 0 HD13 LEU B 6 6.855 12.754 0.018 1.00 0.00 H new ATOM 0 HD21 LEU B 6 8.936 12.327 2.249 1.00 0.00 H new ATOM 0 HD22 LEU B 6 9.317 12.092 0.526 1.00 0.00 H new ATOM 0 HD23 LEU B 6 10.290 13.213 1.508 1.00 0.00 H new ATOM 1170 N LYS B 7 7.304 13.167 -2.677 1.00 0.00 N ATOM 1171 CA LYS B 7 6.314 12.233 -3.174 1.00 0.00 C ATOM 1172 C LYS B 7 6.952 11.316 -4.233 1.00 0.00 C ATOM 1173 O LYS B 7 6.648 10.135 -4.304 1.00 0.00 O ATOM 1174 CB LYS B 7 5.105 13.007 -3.736 1.00 0.00 C ATOM 1175 CG LYS B 7 3.751 12.355 -3.444 1.00 0.00 C ATOM 1176 CD LYS B 7 3.528 11.049 -4.195 1.00 0.00 C ATOM 1177 CE LYS B 7 3.258 11.290 -5.673 1.00 0.00 C ATOM 1178 NZ LYS B 7 1.946 11.935 -5.892 1.00 0.00 N ATOM 0 H LYS B 7 7.107 14.143 -2.900 1.00 0.00 H new ATOM 0 HA LYS B 7 5.955 11.602 -2.361 1.00 0.00 H new ATOM 0 HB2 LYS B 7 5.108 14.014 -3.320 1.00 0.00 H new ATOM 0 HB3 LYS B 7 5.222 13.107 -4.815 1.00 0.00 H new ATOM 0 HG2 LYS B 7 3.671 12.167 -2.373 1.00 0.00 H new ATOM 0 HG3 LYS B 7 2.957 13.054 -3.705 1.00 0.00 H new ATOM 0 HD2 LYS B 7 4.405 10.411 -4.084 1.00 0.00 H new ATOM 0 HD3 LYS B 7 2.687 10.514 -3.754 1.00 0.00 H new ATOM 0 HE2 LYS B 7 4.046 11.918 -6.089 1.00 0.00 H new ATOM 0 HE3 LYS B 7 3.291 10.341 -6.208 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 1.675 11.840 -6.892 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 1.229 11.476 -5.294 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 2.009 12.943 -5.645 1.00 0.00 H new ATOM 1192 N ASN B 8 7.866 11.871 -5.015 1.00 0.00 N ATOM 1193 CA ASN B 8 8.615 11.109 -6.016 1.00 0.00 C ATOM 1194 C ASN B 8 9.481 10.047 -5.345 1.00 0.00 C ATOM 1195 O ASN B 8 9.633 8.934 -5.867 1.00 0.00 O ATOM 1196 CB ASN B 8 9.472 12.047 -6.886 1.00 0.00 C ATOM 1197 CG ASN B 8 10.320 11.318 -7.921 1.00 0.00 C ATOM 1198 OD1 ASN B 8 9.850 11.007 -9.017 1.00 0.00 O ATOM 1199 ND2 ASN B 8 11.582 11.103 -7.612 1.00 0.00 N ATOM 0 H ASN B 8 8.113 12.860 -4.978 1.00 0.00 H new ATOM 0 HA ASN B 8 7.901 10.604 -6.667 1.00 0.00 H new ATOM 0 HB2 ASN B 8 8.817 12.753 -7.398 1.00 0.00 H new ATOM 0 HB3 ASN B 8 10.127 12.631 -6.239 1.00 0.00 H new ATOM 0 HD21 ASN B 8 12.206 10.665 -8.290 1.00 0.00 H new ATOM 0 HD22 ASN B 8 11.936 11.374 -6.694 1.00 0.00 H new ATOM 1206 N LYS B 9 10.048 10.392 -4.188 1.00 0.00 N ATOM 1207 CA LYS B 9 10.828 9.441 -3.394 1.00 0.00 C ATOM 1208 C LYS B 9 9.923 8.342 -2.884 1.00 0.00 C ATOM 1209 O LYS B 9 10.281 7.173 -2.915 1.00 0.00 O ATOM 1210 CB LYS B 9 11.517 10.108 -2.199 1.00 0.00 C ATOM 1211 CG LYS B 9 12.537 11.172 -2.554 1.00 0.00 C ATOM 1212 CD LYS B 9 13.218 11.733 -1.305 1.00 0.00 C ATOM 1213 CE LYS B 9 14.033 10.663 -0.573 1.00 0.00 C ATOM 1214 NZ LYS B 9 14.710 11.198 0.619 1.00 0.00 N ATOM 0 H LYS B 9 9.982 11.324 -3.779 1.00 0.00 H new ATOM 0 HA LYS B 9 11.601 9.035 -4.046 1.00 0.00 H new ATOM 0 HB2 LYS B 9 10.753 10.557 -1.564 1.00 0.00 H new ATOM 0 HB3 LYS B 9 12.011 9.337 -1.608 1.00 0.00 H new ATOM 0 HG2 LYS B 9 13.288 10.749 -3.221 1.00 0.00 H new ATOM 0 HG3 LYS B 9 12.047 11.980 -3.097 1.00 0.00 H new ATOM 0 HD2 LYS B 9 13.872 12.558 -1.587 1.00 0.00 H new ATOM 0 HD3 LYS B 9 12.464 12.140 -0.631 1.00 0.00 H new ATOM 0 HE2 LYS B 9 13.375 9.846 -0.279 1.00 0.00 H new ATOM 0 HE3 LYS B 9 14.775 10.245 -1.253 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 15.249 10.439 1.082 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 15.358 11.961 0.337 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 14.002 11.573 1.282 1.00 0.00 H new ATOM 1228 N ILE B 10 8.752 8.741 -2.419 1.00 0.00 N ATOM 1229 CA ILE B 10 7.731 7.822 -1.932 1.00 0.00 C ATOM 1230 C ILE B 10 7.325 6.850 -3.022 1.00 0.00 C ATOM 1231 O ILE B 10 7.315 5.636 -2.804 1.00 0.00 O ATOM 1232 CB ILE B 10 6.507 8.602 -1.380 1.00 0.00 C ATOM 1233 CG1 ILE B 10 6.930 9.322 -0.104 1.00 0.00 C ATOM 1234 CG2 ILE B 10 5.301 7.690 -1.136 1.00 0.00 C ATOM 1235 CD1 ILE B 10 5.867 10.149 0.539 1.00 0.00 C ATOM 0 H ILE B 10 8.478 9.722 -2.367 1.00 0.00 H new ATOM 0 HA ILE B 10 8.150 7.242 -1.109 1.00 0.00 H new ATOM 0 HB ILE B 10 6.184 9.329 -2.125 1.00 0.00 H new ATOM 0 HG12 ILE B 10 7.276 8.580 0.616 1.00 0.00 H new ATOM 0 HG13 ILE B 10 7.780 9.965 -0.333 1.00 0.00 H new ATOM 0 HG21 ILE B 10 4.470 8.281 -0.750 1.00 0.00 H new ATOM 0 HG22 ILE B 10 5.006 7.218 -2.073 1.00 0.00 H new ATOM 0 HG23 ILE B 10 5.567 6.921 -0.411 1.00 0.00 H new ATOM 0 HD11 ILE B 10 6.266 10.619 1.438 1.00 0.00 H new ATOM 0 HD12 ILE B 10 5.535 10.919 -0.157 1.00 0.00 H new ATOM 0 HD13 ILE B 10 5.023 9.513 0.806 1.00 0.00 H new ATOM 1247 N GLU B 11 7.034 7.384 -4.193 1.00 0.00 N ATOM 1248 CA GLU B 11 6.708 6.585 -5.349 1.00 0.00 C ATOM 1249 C GLU B 11 7.832 5.616 -5.663 1.00 0.00 C ATOM 1250 O GLU B 11 7.598 4.428 -5.790 1.00 0.00 O ATOM 1251 CB GLU B 11 6.425 7.471 -6.550 1.00 0.00 C ATOM 1252 CG GLU B 11 5.133 8.248 -6.459 1.00 0.00 C ATOM 1253 CD GLU B 11 3.932 7.344 -6.490 1.00 0.00 C ATOM 1254 OE1 GLU B 11 3.634 6.771 -7.558 1.00 0.00 O ATOM 1255 OE2 GLU B 11 3.282 7.147 -5.459 1.00 0.00 O ATOM 0 H GLU B 11 7.018 8.389 -4.365 1.00 0.00 H new ATOM 0 HA GLU B 11 5.809 6.011 -5.123 1.00 0.00 H new ATOM 0 HB2 GLU B 11 7.250 8.173 -6.671 1.00 0.00 H new ATOM 0 HB3 GLU B 11 6.400 6.851 -7.446 1.00 0.00 H new ATOM 0 HG2 GLU B 11 5.124 8.832 -5.538 1.00 0.00 H new ATOM 0 HG3 GLU B 11 5.076 8.956 -7.286 1.00 0.00 H new ATOM 1262 N ASN B 12 9.047 6.133 -5.733 1.00 0.00 N ATOM 1263 CA ASN B 12 10.240 5.330 -6.022 1.00 0.00 C ATOM 1264 C ASN B 12 10.435 4.221 -5.010 1.00 0.00 C ATOM 1265 O ASN B 12 10.688 3.085 -5.380 1.00 0.00 O ATOM 1266 CB ASN B 12 11.507 6.216 -6.096 1.00 0.00 C ATOM 1267 CG ASN B 12 12.810 5.410 -6.129 1.00 0.00 C ATOM 1268 OD1 ASN B 12 13.289 4.994 -7.195 1.00 0.00 O ATOM 1269 ND2 ASN B 12 13.421 5.237 -4.979 1.00 0.00 N ATOM 0 H ASN B 12 9.242 7.124 -5.592 1.00 0.00 H new ATOM 0 HA ASN B 12 10.080 4.868 -6.996 1.00 0.00 H new ATOM 0 HB2 ASN B 12 11.453 6.842 -6.987 1.00 0.00 H new ATOM 0 HB3 ASN B 12 11.524 6.886 -5.236 1.00 0.00 H new ATOM 0 HD21 ASN B 12 14.316 4.748 -4.945 1.00 0.00 H new ATOM 0 HD22 ASN B 12 13.001 5.591 -4.120 1.00 0.00 H new ATOM 1276 N LYS B 13 10.284 4.551 -3.747 1.00 0.00 N ATOM 1277 CA LYS B 13 10.497 3.606 -2.669 1.00 0.00 C ATOM 1278 C LYS B 13 9.437 2.505 -2.706 1.00 0.00 C ATOM 1279 O LYS B 13 9.746 1.321 -2.543 1.00 0.00 O ATOM 1280 CB LYS B 13 10.486 4.338 -1.329 1.00 0.00 C ATOM 1281 CG LYS B 13 10.969 3.504 -0.160 1.00 0.00 C ATOM 1282 CD LYS B 13 12.391 3.021 -0.367 1.00 0.00 C ATOM 1283 CE LYS B 13 13.385 4.149 -0.510 1.00 0.00 C ATOM 1284 NZ LYS B 13 14.740 3.629 -0.729 1.00 0.00 N ATOM 0 H LYS B 13 10.010 5.483 -3.436 1.00 0.00 H new ATOM 0 HA LYS B 13 11.471 3.133 -2.795 1.00 0.00 H new ATOM 0 HB2 LYS B 13 11.111 5.227 -1.409 1.00 0.00 H new ATOM 0 HB3 LYS B 13 9.471 4.679 -1.123 1.00 0.00 H new ATOM 0 HG2 LYS B 13 10.914 4.094 0.755 1.00 0.00 H new ATOM 0 HG3 LYS B 13 10.309 2.647 -0.027 1.00 0.00 H new ATOM 0 HD2 LYS B 13 12.681 2.393 0.476 1.00 0.00 H new ATOM 0 HD3 LYS B 13 12.430 2.395 -1.259 1.00 0.00 H new ATOM 0 HE2 LYS B 13 13.097 4.789 -1.344 1.00 0.00 H new ATOM 0 HE3 LYS B 13 13.369 4.769 0.387 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 15.437 4.318 -0.380 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 14.854 2.731 -0.217 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 14.891 3.469 -1.746 1.00 0.00 H new ATOM 1298 N LYS B 14 8.203 2.917 -2.924 1.00 0.00 N ATOM 1299 CA LYS B 14 7.078 2.041 -3.117 1.00 0.00 C ATOM 1300 C LYS B 14 7.382 1.101 -4.285 1.00 0.00 C ATOM 1301 O LYS B 14 7.247 -0.099 -4.173 1.00 0.00 O ATOM 1302 CB LYS B 14 5.863 2.905 -3.457 1.00 0.00 C ATOM 1303 CG LYS B 14 4.573 2.158 -3.721 1.00 0.00 C ATOM 1304 CD LYS B 14 3.471 3.102 -4.196 1.00 0.00 C ATOM 1305 CE LYS B 14 3.802 3.681 -5.550 1.00 0.00 C ATOM 1306 NZ LYS B 14 2.754 4.587 -6.063 1.00 0.00 N ATOM 0 H LYS B 14 7.954 3.905 -2.972 1.00 0.00 H new ATOM 0 HA LYS B 14 6.882 1.452 -2.221 1.00 0.00 H new ATOM 0 HB2 LYS B 14 5.695 3.601 -2.635 1.00 0.00 H new ATOM 0 HB3 LYS B 14 6.101 3.502 -4.337 1.00 0.00 H new ATOM 0 HG2 LYS B 14 4.744 1.388 -4.473 1.00 0.00 H new ATOM 0 HG3 LYS B 14 4.252 1.650 -2.812 1.00 0.00 H new ATOM 0 HD2 LYS B 14 2.524 2.565 -4.248 1.00 0.00 H new ATOM 0 HD3 LYS B 14 3.341 3.908 -3.474 1.00 0.00 H new ATOM 0 HE2 LYS B 14 4.745 4.225 -5.486 1.00 0.00 H new ATOM 0 HE3 LYS B 14 3.951 2.868 -6.260 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 2.996 4.886 -7.029 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 1.840 4.090 -6.073 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 2.687 5.423 -5.448 1.00 0.00 H new ATOM 1320 N LYS B 15 7.834 1.682 -5.385 1.00 0.00 N ATOM 1321 CA LYS B 15 8.186 0.952 -6.593 1.00 0.00 C ATOM 1322 C LYS B 15 9.339 -0.026 -6.360 1.00 0.00 C ATOM 1323 O LYS B 15 9.313 -1.144 -6.895 1.00 0.00 O ATOM 1324 CB LYS B 15 8.453 1.933 -7.737 1.00 0.00 C ATOM 1325 CG LYS B 15 7.181 2.628 -8.224 1.00 0.00 C ATOM 1326 CD LYS B 15 7.494 3.883 -9.013 1.00 0.00 C ATOM 1327 CE LYS B 15 6.238 4.546 -9.556 1.00 0.00 C ATOM 1328 NZ LYS B 15 6.538 5.777 -10.335 1.00 0.00 N ATOM 0 H LYS B 15 7.969 2.690 -5.465 1.00 0.00 H new ATOM 0 HA LYS B 15 7.339 0.330 -6.883 1.00 0.00 H new ATOM 0 HB2 LYS B 15 9.170 2.685 -7.406 1.00 0.00 H new ATOM 0 HB3 LYS B 15 8.912 1.399 -8.569 1.00 0.00 H new ATOM 0 HG2 LYS B 15 6.607 1.941 -8.846 1.00 0.00 H new ATOM 0 HG3 LYS B 15 6.555 2.883 -7.369 1.00 0.00 H new ATOM 0 HD2 LYS B 15 8.028 4.587 -8.376 1.00 0.00 H new ATOM 0 HD3 LYS B 15 8.159 3.634 -9.840 1.00 0.00 H new ATOM 0 HE2 LYS B 15 5.703 3.839 -10.190 1.00 0.00 H new ATOM 0 HE3 LYS B 15 5.575 4.796 -8.728 1.00 0.00 H new ATOM 0 HZ1 LYS B 15 5.650 6.192 -10.684 1.00 0.00 H new ATOM 0 HZ2 LYS B 15 7.025 6.464 -9.725 1.00 0.00 H new ATOM 0 HZ3 LYS B 15 7.148 5.537 -11.142 1.00 0.00 H new ATOM 1342 N GLU B 16 10.328 0.382 -5.559 1.00 0.00 N ATOM 1343 CA GLU B 16 11.414 -0.518 -5.135 1.00 0.00 C ATOM 1344 C GLU B 16 10.828 -1.718 -4.400 1.00 0.00 C ATOM 1345 O GLU B 16 11.200 -2.863 -4.645 1.00 0.00 O ATOM 1346 CB GLU B 16 12.407 0.174 -4.186 1.00 0.00 C ATOM 1347 CG GLU B 16 13.326 1.218 -4.782 1.00 0.00 C ATOM 1348 CD GLU B 16 14.310 1.716 -3.737 1.00 0.00 C ATOM 1349 OE1 GLU B 16 15.201 0.929 -3.313 1.00 0.00 O ATOM 1350 OE2 GLU B 16 14.194 2.861 -3.274 1.00 0.00 O ATOM 0 H GLU B 16 10.402 1.330 -5.189 1.00 0.00 H new ATOM 0 HA GLU B 16 11.944 -0.823 -6.038 1.00 0.00 H new ATOM 0 HB2 GLU B 16 11.836 0.645 -3.386 1.00 0.00 H new ATOM 0 HB3 GLU B 16 13.026 -0.596 -3.725 1.00 0.00 H new ATOM 0 HG2 GLU B 16 13.867 0.795 -5.628 1.00 0.00 H new ATOM 0 HG3 GLU B 16 12.739 2.053 -5.165 1.00 0.00 H new ATOM 1357 N LEU B 17 9.893 -1.439 -3.519 1.00 0.00 N ATOM 1358 CA LEU B 17 9.239 -2.455 -2.727 1.00 0.00 C ATOM 1359 C LEU B 17 8.429 -3.386 -3.598 1.00 0.00 C ATOM 1360 O LEU B 17 8.418 -4.599 -3.375 1.00 0.00 O ATOM 1361 CB LEU B 17 8.396 -1.791 -1.604 1.00 0.00 C ATOM 1362 CG LEU B 17 7.385 -2.650 -0.816 1.00 0.00 C ATOM 1363 CD1 LEU B 17 6.109 -2.864 -1.567 1.00 0.00 C ATOM 1364 CD2 LEU B 17 7.997 -3.946 -0.309 1.00 0.00 C ATOM 0 H LEU B 17 9.563 -0.492 -3.331 1.00 0.00 H new ATOM 0 HA LEU B 17 9.994 -3.075 -2.243 1.00 0.00 H new ATOM 0 HB2 LEU B 17 9.091 -1.358 -0.884 1.00 0.00 H new ATOM 0 HB3 LEU B 17 7.845 -0.964 -2.052 1.00 0.00 H new ATOM 0 HG LEU B 17 7.117 -2.077 0.072 1.00 0.00 H new ATOM 0 HD11 LEU B 17 5.433 -3.474 -0.969 1.00 0.00 H new ATOM 0 HD12 LEU B 17 5.642 -1.901 -1.773 1.00 0.00 H new ATOM 0 HD13 LEU B 17 6.321 -3.373 -2.507 1.00 0.00 H new ATOM 0 HD21 LEU B 17 7.245 -4.514 0.239 1.00 0.00 H new ATOM 0 HD22 LEU B 17 8.353 -4.536 -1.154 1.00 0.00 H new ATOM 0 HD23 LEU B 17 8.833 -3.719 0.352 1.00 0.00 H new ATOM 1376 N ILE B 18 7.752 -2.829 -4.569 1.00 0.00 N ATOM 1377 CA ILE B 18 6.945 -3.622 -5.456 1.00 0.00 C ATOM 1378 C ILE B 18 7.836 -4.633 -6.185 1.00 0.00 C ATOM 1379 O ILE B 18 7.476 -5.788 -6.324 1.00 0.00 O ATOM 1380 CB ILE B 18 6.167 -2.755 -6.470 1.00 0.00 C ATOM 1381 CG1 ILE B 18 5.275 -1.768 -5.723 1.00 0.00 C ATOM 1382 CG2 ILE B 18 5.320 -3.646 -7.374 1.00 0.00 C ATOM 1383 CD1 ILE B 18 4.690 -0.686 -6.586 1.00 0.00 C ATOM 0 H ILE B 18 7.744 -1.828 -4.765 1.00 0.00 H new ATOM 0 HA ILE B 18 6.202 -4.149 -4.857 1.00 0.00 H new ATOM 0 HB ILE B 18 6.875 -2.200 -7.086 1.00 0.00 H new ATOM 0 HG12 ILE B 18 4.462 -2.318 -5.249 1.00 0.00 H new ATOM 0 HG13 ILE B 18 5.855 -1.306 -4.924 1.00 0.00 H new ATOM 0 HG21 ILE B 18 4.774 -3.027 -8.086 1.00 0.00 H new ATOM 0 HG22 ILE B 18 5.968 -4.336 -7.914 1.00 0.00 H new ATOM 0 HG23 ILE B 18 4.612 -4.211 -6.768 1.00 0.00 H new ATOM 0 HD11 ILE B 18 4.070 -0.029 -5.976 1.00 0.00 H new ATOM 0 HD12 ILE B 18 5.495 -0.107 -7.039 1.00 0.00 H new ATOM 0 HD13 ILE B 18 4.080 -1.136 -7.370 1.00 0.00 H new ATOM 1395 N GLN B 19 9.027 -4.182 -6.595 1.00 0.00 N ATOM 1396 CA GLN B 19 10.027 -5.056 -7.213 1.00 0.00 C ATOM 1397 C GLN B 19 10.391 -6.188 -6.258 1.00 0.00 C ATOM 1398 O GLN B 19 10.524 -7.337 -6.656 1.00 0.00 O ATOM 1399 CB GLN B 19 11.294 -4.276 -7.541 1.00 0.00 C ATOM 1400 CG GLN B 19 11.115 -3.176 -8.556 1.00 0.00 C ATOM 1401 CD GLN B 19 12.390 -2.385 -8.782 1.00 0.00 C ATOM 1402 OE1 GLN B 19 13.225 -2.241 -7.888 1.00 0.00 O ATOM 1403 NE2 GLN B 19 12.564 -1.886 -9.968 1.00 0.00 N ATOM 0 H GLN B 19 9.322 -3.209 -6.508 1.00 0.00 H new ATOM 0 HA GLN B 19 9.600 -5.460 -8.131 1.00 0.00 H new ATOM 0 HB2 GLN B 19 11.685 -3.842 -6.621 1.00 0.00 H new ATOM 0 HB3 GLN B 19 12.047 -4.972 -7.910 1.00 0.00 H new ATOM 0 HG2 GLN B 19 10.786 -3.608 -9.501 1.00 0.00 H new ATOM 0 HG3 GLN B 19 10.327 -2.502 -8.222 1.00 0.00 H new ATOM 0 HE21 GLN B 19 11.854 -2.022 -10.688 1.00 0.00 H new ATOM 0 HE22 GLN B 19 13.411 -1.358 -10.180 1.00 0.00 H new ATOM 1412 N LEU B 20 10.527 -5.846 -5.002 1.00 0.00 N ATOM 1413 CA LEU B 20 10.856 -6.795 -3.957 1.00 0.00 C ATOM 1414 C LEU B 20 9.772 -7.851 -3.770 1.00 0.00 C ATOM 1415 O LEU B 20 10.069 -9.049 -3.804 1.00 0.00 O ATOM 1416 CB LEU B 20 11.172 -6.079 -2.649 1.00 0.00 C ATOM 1417 CG LEU B 20 12.643 -5.700 -2.382 1.00 0.00 C ATOM 1418 CD1 LEU B 20 13.329 -5.123 -3.586 1.00 0.00 C ATOM 1419 CD2 LEU B 20 12.707 -4.700 -1.276 1.00 0.00 C ATOM 0 H LEU B 20 10.412 -4.889 -4.667 1.00 0.00 H new ATOM 0 HA LEU B 20 11.753 -7.325 -4.276 1.00 0.00 H new ATOM 0 HB2 LEU B 20 10.578 -5.166 -2.613 1.00 0.00 H new ATOM 0 HB3 LEU B 20 10.834 -6.712 -1.829 1.00 0.00 H new ATOM 0 HG LEU B 20 13.160 -6.622 -2.115 1.00 0.00 H new ATOM 0 HD11 LEU B 20 14.360 -4.877 -3.334 1.00 0.00 H new ATOM 0 HD12 LEU B 20 13.318 -5.853 -4.396 1.00 0.00 H new ATOM 0 HD13 LEU B 20 12.808 -4.220 -3.904 1.00 0.00 H new ATOM 0 HD21 LEU B 20 13.747 -4.432 -1.087 1.00 0.00 H new ATOM 0 HD22 LEU B 20 12.148 -3.808 -1.559 1.00 0.00 H new ATOM 0 HD23 LEU B 20 12.273 -5.128 -0.373 1.00 0.00 H new ATOM 1431 N VAL B 21 8.517 -7.445 -3.583 1.00 0.00 N ATOM 1432 CA VAL B 21 7.468 -8.424 -3.456 1.00 0.00 C ATOM 1433 C VAL B 21 7.260 -9.203 -4.781 1.00 0.00 C ATOM 1434 O VAL B 21 6.848 -10.360 -4.778 1.00 0.00 O ATOM 1435 CB VAL B 21 6.140 -7.790 -3.001 1.00 0.00 C ATOM 1436 CG1 VAL B 21 6.335 -6.853 -1.847 1.00 0.00 C ATOM 1437 CG2 VAL B 21 5.380 -7.138 -4.121 1.00 0.00 C ATOM 0 H VAL B 21 8.219 -6.472 -3.519 1.00 0.00 H new ATOM 0 HA VAL B 21 7.787 -9.126 -2.685 1.00 0.00 H new ATOM 0 HB VAL B 21 5.519 -8.616 -2.655 1.00 0.00 H new ATOM 0 HG11 VAL B 21 5.374 -6.428 -1.557 1.00 0.00 H new ATOM 0 HG12 VAL B 21 6.760 -7.398 -1.004 1.00 0.00 H new ATOM 0 HG13 VAL B 21 7.013 -6.051 -2.140 1.00 0.00 H new ATOM 0 HG21 VAL B 21 4.455 -6.711 -3.733 1.00 0.00 H new ATOM 0 HG22 VAL B 21 5.988 -6.347 -4.561 1.00 0.00 H new ATOM 0 HG23 VAL B 21 5.145 -7.882 -4.883 1.00 0.00 H new ATOM 1447 N ALA B 22 7.576 -8.570 -5.901 1.00 0.00 N ATOM 1448 CA ALA B 22 7.412 -9.182 -7.200 1.00 0.00 C ATOM 1449 C ALA B 22 8.482 -10.232 -7.463 1.00 0.00 C ATOM 1450 O ALA B 22 8.185 -11.307 -8.015 1.00 0.00 O ATOM 1451 CB ALA B 22 7.402 -8.132 -8.288 1.00 0.00 C ATOM 0 H ALA B 22 7.951 -7.622 -5.929 1.00 0.00 H new ATOM 0 HA ALA B 22 6.448 -9.691 -7.208 1.00 0.00 H new ATOM 0 HB1 ALA B 22 7.278 -8.614 -9.258 1.00 0.00 H new ATOM 0 HB2 ALA B 22 6.577 -7.440 -8.118 1.00 0.00 H new ATOM 0 HB3 ALA B 22 8.344 -7.584 -8.273 1.00 0.00 H new ATOM 1457 N ARG B 23 9.718 -9.955 -7.024 1.00 0.00 N ATOM 1458 CA ARG B 23 10.830 -10.885 -7.216 1.00 0.00 C ATOM 1459 C ARG B 23 10.672 -12.080 -6.292 1.00 0.00 C ATOM 1460 O ARG B 23 11.366 -13.087 -6.431 1.00 0.00 O ATOM 1461 CB ARG B 23 12.204 -10.232 -6.993 1.00 0.00 C ATOM 1462 CG ARG B 23 12.469 -9.805 -5.567 1.00 0.00 C ATOM 1463 CD ARG B 23 13.896 -9.328 -5.348 1.00 0.00 C ATOM 1464 NE ARG B 23 14.233 -8.107 -6.092 1.00 0.00 N ATOM 1465 CZ ARG B 23 15.386 -7.427 -5.929 1.00 0.00 C ATOM 1466 NH1 ARG B 23 16.297 -7.860 -5.043 1.00 0.00 N ATOM 1467 NH2 ARG B 23 15.628 -6.322 -6.642 1.00 0.00 N ATOM 0 H ARG B 23 9.968 -9.095 -6.535 1.00 0.00 H new ATOM 0 HA ARG B 23 10.796 -11.207 -8.257 1.00 0.00 H new ATOM 0 HB2 ARG B 23 12.980 -10.933 -7.299 1.00 0.00 H new ATOM 0 HB3 ARG B 23 12.288 -9.360 -7.642 1.00 0.00 H new ATOM 0 HG2 ARG B 23 11.779 -9.005 -5.298 1.00 0.00 H new ATOM 0 HG3 ARG B 23 12.264 -10.641 -4.899 1.00 0.00 H new ATOM 0 HD2 ARG B 23 14.050 -9.148 -4.284 1.00 0.00 H new ATOM 0 HD3 ARG B 23 14.584 -10.122 -5.640 1.00 0.00 H new ATOM 0 HE ARG B 23 13.557 -7.754 -6.770 1.00 0.00 H new ATOM 0 HH11 ARG B 23 16.116 -8.701 -4.495 1.00 0.00 H new ATOM 0 HH12 ARG B 23 17.170 -7.348 -4.918 1.00 0.00 H new ATOM 0 HH21 ARG B 23 14.938 -5.988 -7.315 1.00 0.00 H new ATOM 0 HH22 ARG B 23 16.503 -5.813 -6.513 1.00 0.00 H new ATOM 1481 N HIS B 24 9.786 -11.942 -5.318 1.00 0.00 N ATOM 1482 CA HIS B 24 9.423 -13.040 -4.462 1.00 0.00 C ATOM 1483 C HIS B 24 8.765 -14.128 -5.303 1.00 0.00 C ATOM 1484 O HIS B 24 9.005 -15.318 -5.101 1.00 0.00 O ATOM 1485 CB HIS B 24 8.498 -12.556 -3.337 1.00 0.00 C ATOM 1486 CG HIS B 24 7.923 -13.658 -2.495 1.00 0.00 C ATOM 1487 ND1 HIS B 24 8.630 -14.421 -1.589 1.00 0.00 N ATOM 1488 CD2 HIS B 24 6.676 -14.125 -2.476 1.00 0.00 C ATOM 1489 CE1 HIS B 24 7.788 -15.311 -1.063 1.00 0.00 C ATOM 1490 NE2 HIS B 24 6.578 -15.173 -1.575 1.00 0.00 N ATOM 0 H HIS B 24 9.306 -11.067 -5.106 1.00 0.00 H new ATOM 0 HA HIS B 24 10.314 -13.456 -3.991 1.00 0.00 H new ATOM 0 HB2 HIS B 24 9.054 -11.874 -2.693 1.00 0.00 H new ATOM 0 HB3 HIS B 24 7.680 -11.984 -3.775 1.00 0.00 H new ATOM 0 HD2 HIS B 24 5.862 -13.743 -3.074 1.00 0.00 H new ATOM 0 HE1 HIS B 24 8.059 -16.045 -0.319 1.00 0.00 H new ATOM 0 HE2 HIS B 24 5.747 -15.722 -1.354 1.00 0.00 H new ATOM 1498 N GLY B 25 7.977 -13.704 -6.262 1.00 0.00 N ATOM 1499 CA GLY B 25 7.341 -14.630 -7.143 1.00 0.00 C ATOM 1500 C GLY B 25 5.892 -14.307 -7.365 1.00 0.00 C ATOM 1501 O GLY B 25 5.031 -15.184 -7.229 1.00 0.00 O ATOM 0 H GLY B 25 7.766 -12.723 -6.445 1.00 0.00 H new ATOM 0 HA2 GLY B 25 7.861 -14.631 -8.101 1.00 0.00 H new ATOM 0 HA3 GLY B 25 7.427 -15.636 -6.732 1.00 0.00 H new ATOM 1505 N LEU B 26 5.598 -13.062 -7.692 1.00 0.00 N ATOM 1506 CA LEU B 26 4.229 -12.687 -7.978 1.00 0.00 C ATOM 1507 C LEU B 26 3.910 -12.878 -9.417 1.00 0.00 C ATOM 1508 O LEU B 26 4.793 -12.805 -10.278 1.00 0.00 O ATOM 1509 CB LEU B 26 3.896 -11.243 -7.584 1.00 0.00 C ATOM 1510 CG LEU B 26 3.821 -10.948 -6.113 1.00 0.00 C ATOM 1511 CD1 LEU B 26 3.282 -9.557 -5.829 1.00 0.00 C ATOM 1512 CD2 LEU B 26 3.071 -12.008 -5.360 1.00 0.00 C ATOM 0 H LEU B 26 6.278 -12.305 -7.765 1.00 0.00 H new ATOM 0 HA LEU B 26 3.616 -13.348 -7.365 1.00 0.00 H new ATOM 0 HB2 LEU B 26 4.647 -10.588 -8.025 1.00 0.00 H new ATOM 0 HB3 LEU B 26 2.939 -10.979 -8.034 1.00 0.00 H new ATOM 0 HG LEU B 26 4.846 -10.965 -5.743 1.00 0.00 H new ATOM 0 HD11 LEU B 26 3.248 -9.393 -4.752 1.00 0.00 H new ATOM 0 HD12 LEU B 26 3.933 -8.814 -6.289 1.00 0.00 H new ATOM 0 HD13 LEU B 26 2.278 -9.465 -6.242 1.00 0.00 H new ATOM 0 HD21 LEU B 26 3.043 -11.751 -4.301 1.00 0.00 H new ATOM 0 HD22 LEU B 26 2.053 -12.076 -5.744 1.00 0.00 H new ATOM 0 HD23 LEU B 26 3.571 -12.968 -5.488 1.00 0.00 H new ATOM 1524 N ASP B 27 2.653 -13.119 -9.668 1.00 0.00 N ATOM 1525 CA ASP B 27 2.134 -13.226 -11.017 1.00 0.00 C ATOM 1526 C ASP B 27 2.146 -11.832 -11.596 1.00 0.00 C ATOM 1527 O ASP B 27 2.268 -10.851 -10.834 1.00 0.00 O ATOM 1528 CB ASP B 27 0.674 -13.721 -11.013 1.00 0.00 C ATOM 1529 CG ASP B 27 0.451 -14.995 -10.245 1.00 0.00 C ATOM 1530 OD1 ASP B 27 0.630 -16.085 -10.806 1.00 0.00 O ATOM 1531 OD2 ASP B 27 0.076 -14.929 -9.049 1.00 0.00 O ATOM 0 H ASP B 27 1.949 -13.249 -8.941 1.00 0.00 H new ATOM 0 HA ASP B 27 2.739 -13.930 -11.589 1.00 0.00 H new ATOM 0 HB2 ASP B 27 0.040 -12.941 -10.591 1.00 0.00 H new ATOM 0 HB3 ASP B 27 0.351 -13.871 -12.043 1.00 0.00 H new ATOM 1536 N HIS B 28 1.977 -11.712 -12.888 1.00 0.00 N ATOM 1537 CA HIS B 28 1.986 -10.400 -13.528 1.00 0.00 C ATOM 1538 C HIS B 28 0.841 -9.555 -12.958 1.00 0.00 C ATOM 1539 O HIS B 28 1.018 -8.378 -12.632 1.00 0.00 O ATOM 1540 CB HIS B 28 1.854 -10.531 -15.056 1.00 0.00 C ATOM 1541 CG HIS B 28 1.978 -9.223 -15.798 1.00 0.00 C ATOM 1542 ND1 HIS B 28 0.919 -8.557 -16.382 1.00 0.00 N ATOM 1543 CD2 HIS B 28 3.074 -8.474 -16.059 1.00 0.00 C ATOM 1544 CE1 HIS B 28 1.391 -7.458 -16.966 1.00 0.00 C ATOM 1545 NE2 HIS B 28 2.700 -7.356 -16.801 1.00 0.00 N ATOM 0 H HIS B 28 1.831 -12.496 -13.524 1.00 0.00 H new ATOM 0 HA HIS B 28 2.937 -9.909 -13.321 1.00 0.00 H new ATOM 0 HB2 HIS B 28 2.620 -11.217 -15.419 1.00 0.00 H new ATOM 0 HB3 HIS B 28 0.888 -10.979 -15.290 1.00 0.00 H new ATOM 0 HD2 HIS B 28 4.080 -8.706 -15.742 1.00 0.00 H new ATOM 0 HE1 HIS B 28 0.785 -6.744 -17.504 1.00 0.00 H new ATOM 0 HE2 HIS B 28 3.308 -6.613 -17.145 1.00 0.00 H new ATOM 1553 N ASP B 29 -0.301 -10.201 -12.773 1.00 0.00 N ATOM 1554 CA ASP B 29 -1.486 -9.551 -12.238 1.00 0.00 C ATOM 1555 C ASP B 29 -1.300 -9.186 -10.782 1.00 0.00 C ATOM 1556 O ASP B 29 -1.751 -8.138 -10.355 1.00 0.00 O ATOM 1557 CB ASP B 29 -2.750 -10.407 -12.409 1.00 0.00 C ATOM 1558 CG ASP B 29 -3.190 -10.581 -13.847 1.00 0.00 C ATOM 1559 OD1 ASP B 29 -3.900 -9.705 -14.379 1.00 0.00 O ATOM 1560 OD2 ASP B 29 -2.858 -11.614 -14.462 1.00 0.00 O ATOM 0 H ASP B 29 -0.431 -11.189 -12.990 1.00 0.00 H new ATOM 0 HA ASP B 29 -1.624 -8.638 -12.816 1.00 0.00 H new ATOM 0 HB2 ASP B 29 -2.571 -11.390 -11.974 1.00 0.00 H new ATOM 0 HB3 ASP B 29 -3.563 -9.951 -11.844 1.00 0.00 H new ATOM 1565 N LYS B 30 -0.602 -10.044 -10.026 1.00 0.00 N ATOM 1566 CA LYS B 30 -0.334 -9.785 -8.599 1.00 0.00 C ATOM 1567 C LYS B 30 0.385 -8.468 -8.425 1.00 0.00 C ATOM 1568 O LYS B 30 -0.022 -7.650 -7.621 1.00 0.00 O ATOM 1569 CB LYS B 30 0.492 -10.908 -7.954 1.00 0.00 C ATOM 1570 CG LYS B 30 -0.223 -12.225 -7.773 1.00 0.00 C ATOM 1571 CD LYS B 30 -1.430 -12.141 -6.866 1.00 0.00 C ATOM 1572 CE LYS B 30 -1.993 -13.526 -6.591 1.00 0.00 C ATOM 1573 NZ LYS B 30 -2.314 -14.270 -7.832 1.00 0.00 N ATOM 0 H LYS B 30 -0.213 -10.920 -10.374 1.00 0.00 H new ATOM 0 HA LYS B 30 -1.300 -9.745 -8.097 1.00 0.00 H new ATOM 0 HB2 LYS B 30 1.379 -11.078 -8.564 1.00 0.00 H new ATOM 0 HB3 LYS B 30 0.837 -10.566 -6.978 1.00 0.00 H new ATOM 0 HG2 LYS B 30 -0.538 -12.595 -8.749 1.00 0.00 H new ATOM 0 HG3 LYS B 30 0.476 -12.955 -7.366 1.00 0.00 H new ATOM 0 HD2 LYS B 30 -1.153 -11.663 -5.927 1.00 0.00 H new ATOM 0 HD3 LYS B 30 -2.195 -11.517 -7.328 1.00 0.00 H new ATOM 0 HE2 LYS B 30 -1.272 -14.097 -6.006 1.00 0.00 H new ATOM 0 HE3 LYS B 30 -2.894 -13.434 -5.984 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 -2.862 -15.122 -7.594 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 -2.874 -13.664 -8.465 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 -1.432 -14.547 -8.309 1.00 0.00 H new ATOM 1587 N VAL B 31 1.422 -8.256 -9.226 1.00 0.00 N ATOM 1588 CA VAL B 31 2.207 -7.025 -9.178 1.00 0.00 C ATOM 1589 C VAL B 31 1.309 -5.806 -9.488 1.00 0.00 C ATOM 1590 O VAL B 31 1.388 -4.773 -8.820 1.00 0.00 O ATOM 1591 CB VAL B 31 3.400 -7.077 -10.182 1.00 0.00 C ATOM 1592 CG1 VAL B 31 4.311 -5.866 -10.049 1.00 0.00 C ATOM 1593 CG2 VAL B 31 4.189 -8.363 -10.016 1.00 0.00 C ATOM 0 H VAL B 31 1.743 -8.927 -9.924 1.00 0.00 H new ATOM 0 HA VAL B 31 2.613 -6.925 -8.171 1.00 0.00 H new ATOM 0 HB VAL B 31 2.977 -7.056 -11.186 1.00 0.00 H new ATOM 0 HG11 VAL B 31 5.127 -5.944 -10.767 1.00 0.00 H new ATOM 0 HG12 VAL B 31 3.741 -4.958 -10.246 1.00 0.00 H new ATOM 0 HG13 VAL B 31 4.719 -5.827 -9.039 1.00 0.00 H new ATOM 0 HG21 VAL B 31 5.016 -8.377 -10.726 1.00 0.00 H new ATOM 0 HG22 VAL B 31 4.582 -8.420 -9.001 1.00 0.00 H new ATOM 0 HG23 VAL B 31 3.537 -9.216 -10.201 1.00 0.00 H new ATOM 1603 N LEU B 32 0.425 -5.964 -10.461 1.00 0.00 N ATOM 1604 CA LEU B 32 -0.499 -4.902 -10.875 1.00 0.00 C ATOM 1605 C LEU B 32 -1.496 -4.584 -9.776 1.00 0.00 C ATOM 1606 O LEU B 32 -1.624 -3.433 -9.355 1.00 0.00 O ATOM 1607 CB LEU B 32 -1.250 -5.315 -12.139 1.00 0.00 C ATOM 1608 CG LEU B 32 -0.387 -5.703 -13.337 1.00 0.00 C ATOM 1609 CD1 LEU B 32 -1.261 -6.069 -14.508 1.00 0.00 C ATOM 1610 CD2 LEU B 32 0.575 -4.588 -13.710 1.00 0.00 C ATOM 0 H LEU B 32 0.322 -6.830 -10.990 1.00 0.00 H new ATOM 0 HA LEU B 32 0.092 -4.009 -11.078 1.00 0.00 H new ATOM 0 HB2 LEU B 32 -1.896 -6.158 -11.894 1.00 0.00 H new ATOM 0 HB3 LEU B 32 -1.900 -4.492 -12.436 1.00 0.00 H new ATOM 0 HG LEU B 32 0.210 -6.572 -13.059 1.00 0.00 H new ATOM 0 HD11 LEU B 32 -0.635 -6.344 -15.357 1.00 0.00 H new ATOM 0 HD12 LEU B 32 -1.897 -6.912 -14.238 1.00 0.00 H new ATOM 0 HD13 LEU B 32 -1.884 -5.216 -14.778 1.00 0.00 H new ATOM 0 HD21 LEU B 32 1.175 -4.896 -14.566 1.00 0.00 H new ATOM 0 HD22 LEU B 32 0.011 -3.691 -13.966 1.00 0.00 H new ATOM 0 HD23 LEU B 32 1.231 -4.376 -12.866 1.00 0.00 H new ATOM 1622 N LEU B 33 -2.169 -5.608 -9.297 1.00 0.00 N ATOM 1623 CA LEU B 33 -3.197 -5.465 -8.278 1.00 0.00 C ATOM 1624 C LEU B 33 -2.602 -4.923 -6.988 1.00 0.00 C ATOM 1625 O LEU B 33 -3.176 -4.027 -6.355 1.00 0.00 O ATOM 1626 CB LEU B 33 -3.864 -6.805 -8.014 1.00 0.00 C ATOM 1627 CG LEU B 33 -4.509 -7.503 -9.212 1.00 0.00 C ATOM 1628 CD1 LEU B 33 -5.072 -8.849 -8.803 1.00 0.00 C ATOM 1629 CD2 LEU B 33 -5.588 -6.639 -9.821 1.00 0.00 C ATOM 0 H LEU B 33 -2.021 -6.570 -9.602 1.00 0.00 H new ATOM 0 HA LEU B 33 -3.943 -4.759 -8.642 1.00 0.00 H new ATOM 0 HB2 LEU B 33 -3.118 -7.478 -7.590 1.00 0.00 H new ATOM 0 HB3 LEU B 33 -4.631 -6.659 -7.253 1.00 0.00 H new ATOM 0 HG LEU B 33 -3.739 -7.666 -9.966 1.00 0.00 H new ATOM 0 HD11 LEU B 33 -5.527 -9.331 -9.668 1.00 0.00 H new ATOM 0 HD12 LEU B 33 -4.269 -9.477 -8.418 1.00 0.00 H new ATOM 0 HD13 LEU B 33 -5.826 -8.708 -8.028 1.00 0.00 H new ATOM 0 HD21 LEU B 33 -6.032 -7.157 -10.671 1.00 0.00 H new ATOM 0 HD22 LEU B 33 -6.358 -6.439 -9.076 1.00 0.00 H new ATOM 0 HD23 LEU B 33 -5.154 -5.697 -10.156 1.00 0.00 H new ATOM 1641 N PHE B 34 -1.444 -5.450 -6.621 1.00 0.00 N ATOM 1642 CA PHE B 34 -0.749 -5.015 -5.435 1.00 0.00 C ATOM 1643 C PHE B 34 -0.354 -3.565 -5.545 1.00 0.00 C ATOM 1644 O PHE B 34 -0.724 -2.774 -4.701 1.00 0.00 O ATOM 1645 CB PHE B 34 0.482 -5.889 -5.155 1.00 0.00 C ATOM 1646 CG PHE B 34 1.343 -5.405 -4.022 1.00 0.00 C ATOM 1647 CD1 PHE B 34 0.930 -5.539 -2.709 1.00 0.00 C ATOM 1648 CD2 PHE B 34 2.568 -4.803 -4.276 1.00 0.00 C ATOM 1649 CE1 PHE B 34 1.717 -5.080 -1.678 1.00 0.00 C ATOM 1650 CE2 PHE B 34 3.353 -4.344 -3.244 1.00 0.00 C ATOM 1651 CZ PHE B 34 2.929 -4.486 -1.950 1.00 0.00 C ATOM 0 H PHE B 34 -0.967 -6.188 -7.139 1.00 0.00 H new ATOM 0 HA PHE B 34 -1.435 -5.123 -4.595 1.00 0.00 H new ATOM 0 HB2 PHE B 34 0.150 -6.903 -4.935 1.00 0.00 H new ATOM 0 HB3 PHE B 34 1.088 -5.941 -6.059 1.00 0.00 H new ATOM 0 HD1 PHE B 34 -0.018 -6.008 -2.491 1.00 0.00 H new ATOM 0 HD2 PHE B 34 2.908 -4.694 -5.295 1.00 0.00 H new ATOM 0 HE1 PHE B 34 1.384 -5.186 -0.656 1.00 0.00 H new ATOM 0 HE2 PHE B 34 4.302 -3.873 -3.454 1.00 0.00 H new ATOM 0 HZ PHE B 34 3.548 -4.131 -1.139 1.00 0.00 H new ATOM 1661 N SER B 35 0.344 -3.212 -6.625 1.00 0.00 N ATOM 1662 CA SER B 35 0.862 -1.865 -6.791 1.00 0.00 C ATOM 1663 C SER B 35 -0.237 -0.815 -6.747 1.00 0.00 C ATOM 1664 O SER B 35 -0.069 0.227 -6.130 1.00 0.00 O ATOM 1665 CB SER B 35 1.699 -1.739 -8.075 1.00 0.00 C ATOM 1666 OG SER B 35 0.970 -2.142 -9.223 1.00 0.00 O ATOM 0 H SER B 35 0.561 -3.845 -7.395 1.00 0.00 H new ATOM 0 HA SER B 35 1.519 -1.675 -5.942 1.00 0.00 H new ATOM 0 HB2 SER B 35 2.025 -0.706 -8.196 1.00 0.00 H new ATOM 0 HB3 SER B 35 2.598 -2.348 -7.984 1.00 0.00 H new ATOM 0 HG SER B 35 1.101 -3.101 -9.374 1.00 0.00 H new ATOM 1672 N ARG B 36 -1.376 -1.119 -7.343 1.00 0.00 N ATOM 1673 CA ARG B 36 -2.459 -0.166 -7.393 1.00 0.00 C ATOM 1674 C ARG B 36 -3.190 -0.031 -6.051 1.00 0.00 C ATOM 1675 O ARG B 36 -3.539 1.081 -5.653 1.00 0.00 O ATOM 1676 CB ARG B 36 -3.418 -0.452 -8.552 1.00 0.00 C ATOM 1677 CG ARG B 36 -4.188 -1.753 -8.471 1.00 0.00 C ATOM 1678 CD ARG B 36 -4.980 -1.985 -9.739 1.00 0.00 C ATOM 1679 NE ARG B 36 -5.863 -0.838 -10.048 1.00 0.00 N ATOM 1680 CZ ARG B 36 -6.844 -0.829 -10.956 1.00 0.00 C ATOM 1681 NH1 ARG B 36 -7.162 -1.940 -11.610 1.00 0.00 N ATOM 1682 NH2 ARG B 36 -7.510 0.295 -11.195 1.00 0.00 N ATOM 0 H ARG B 36 -1.570 -2.013 -7.795 1.00 0.00 H new ATOM 0 HA ARG B 36 -2.007 0.807 -7.588 1.00 0.00 H new ATOM 0 HB2 ARG B 36 -4.134 0.367 -8.616 1.00 0.00 H new ATOM 0 HB3 ARG B 36 -2.846 -0.448 -9.480 1.00 0.00 H new ATOM 0 HG2 ARG B 36 -3.497 -2.581 -8.311 1.00 0.00 H new ATOM 0 HG3 ARG B 36 -4.862 -1.730 -7.614 1.00 0.00 H new ATOM 0 HD2 ARG B 36 -4.295 -2.152 -10.571 1.00 0.00 H new ATOM 0 HD3 ARG B 36 -5.580 -2.889 -9.633 1.00 0.00 H new ATOM 0 HE ARG B 36 -5.709 0.022 -9.521 1.00 0.00 H new ATOM 0 HH11 ARG B 36 -6.657 -2.806 -11.420 1.00 0.00 H new ATOM 0 HH12 ARG B 36 -7.911 -1.928 -12.302 1.00 0.00 H new ATOM 0 HH21 ARG B 36 -7.272 1.147 -10.687 1.00 0.00 H new ATOM 0 HH22 ARG B 36 -8.259 0.307 -11.887 1.00 0.00 H new ATOM 1696 N ASP B 37 -3.388 -1.146 -5.328 1.00 0.00 N ATOM 1697 CA ASP B 37 -4.080 -1.080 -4.024 1.00 0.00 C ATOM 1698 C ASP B 37 -3.133 -0.481 -2.991 1.00 0.00 C ATOM 1699 O ASP B 37 -3.544 0.229 -2.082 1.00 0.00 O ATOM 1700 CB ASP B 37 -4.593 -2.461 -3.570 1.00 0.00 C ATOM 1701 CG ASP B 37 -5.592 -2.380 -2.401 1.00 0.00 C ATOM 1702 OD1 ASP B 37 -6.777 -2.000 -2.622 1.00 0.00 O ATOM 1703 OD2 ASP B 37 -5.249 -2.738 -1.268 1.00 0.00 O ATOM 0 H ASP B 37 -3.090 -2.080 -5.611 1.00 0.00 H new ATOM 0 HA ASP B 37 -4.959 -0.444 -4.128 1.00 0.00 H new ATOM 0 HB2 ASP B 37 -5.070 -2.960 -4.414 1.00 0.00 H new ATOM 0 HB3 ASP B 37 -3.745 -3.077 -3.273 1.00 0.00 H new ATOM 1708 N LEU B 38 -1.852 -0.758 -3.181 1.00 0.00 N ATOM 1709 CA LEU B 38 -0.770 -0.182 -2.391 1.00 0.00 C ATOM 1710 C LEU B 38 -0.752 1.318 -2.578 1.00 0.00 C ATOM 1711 O LEU B 38 -0.771 2.070 -1.614 1.00 0.00 O ATOM 1712 CB LEU B 38 0.567 -0.800 -2.841 1.00 0.00 C ATOM 1713 CG LEU B 38 1.866 -0.161 -2.352 1.00 0.00 C ATOM 1714 CD1 LEU B 38 1.975 -0.181 -0.853 1.00 0.00 C ATOM 1715 CD2 LEU B 38 3.047 -0.867 -2.968 1.00 0.00 C ATOM 0 H LEU B 38 -1.527 -1.402 -3.902 1.00 0.00 H new ATOM 0 HA LEU B 38 -0.922 -0.398 -1.334 1.00 0.00 H new ATOM 0 HB2 LEU B 38 0.572 -1.844 -2.527 1.00 0.00 H new ATOM 0 HB3 LEU B 38 0.585 -0.795 -3.931 1.00 0.00 H new ATOM 0 HG LEU B 38 1.859 0.883 -2.664 1.00 0.00 H new ATOM 0 HD11 LEU B 38 2.914 0.283 -0.550 1.00 0.00 H new ATOM 0 HD12 LEU B 38 1.141 0.371 -0.420 1.00 0.00 H new ATOM 0 HD13 LEU B 38 1.950 -1.212 -0.500 1.00 0.00 H new ATOM 0 HD21 LEU B 38 3.970 -0.407 -2.616 1.00 0.00 H new ATOM 0 HD22 LEU B 38 3.033 -1.918 -2.681 1.00 0.00 H new ATOM 0 HD23 LEU B 38 2.993 -0.787 -4.054 1.00 0.00 H new ATOM 1727 N ASP B 39 -0.740 1.729 -3.828 1.00 0.00 N ATOM 1728 CA ASP B 39 -0.753 3.133 -4.216 1.00 0.00 C ATOM 1729 C ASP B 39 -1.953 3.843 -3.598 1.00 0.00 C ATOM 1730 O ASP B 39 -1.832 4.915 -3.022 1.00 0.00 O ATOM 1731 CB ASP B 39 -0.807 3.220 -5.738 1.00 0.00 C ATOM 1732 CG ASP B 39 -0.890 4.617 -6.246 1.00 0.00 C ATOM 1733 OD1 ASP B 39 0.149 5.285 -6.322 1.00 0.00 O ATOM 1734 OD2 ASP B 39 -1.993 5.057 -6.599 1.00 0.00 O ATOM 0 H ASP B 39 -0.721 1.089 -4.622 1.00 0.00 H new ATOM 0 HA ASP B 39 0.151 3.623 -3.854 1.00 0.00 H new ATOM 0 HB2 ASP B 39 0.080 2.742 -6.154 1.00 0.00 H new ATOM 0 HB3 ASP B 39 -1.670 2.659 -6.097 1.00 0.00 H new ATOM 1739 N LYS B 40 -3.083 3.197 -3.692 1.00 0.00 N ATOM 1740 CA LYS B 40 -4.340 3.621 -3.157 1.00 0.00 C ATOM 1741 C LYS B 40 -4.255 3.826 -1.641 1.00 0.00 C ATOM 1742 O LYS B 40 -4.622 4.884 -1.128 1.00 0.00 O ATOM 1743 CB LYS B 40 -5.271 2.501 -3.495 1.00 0.00 C ATOM 1744 CG LYS B 40 -6.596 2.487 -2.846 1.00 0.00 C ATOM 1745 CD LYS B 40 -7.265 1.184 -3.211 1.00 0.00 C ATOM 1746 CE LYS B 40 -8.508 0.903 -2.417 1.00 0.00 C ATOM 1747 NZ LYS B 40 -8.986 -0.456 -2.716 1.00 0.00 N ATOM 0 H LYS B 40 -3.150 2.302 -4.177 1.00 0.00 H new ATOM 0 HA LYS B 40 -4.667 4.577 -3.565 1.00 0.00 H new ATOM 0 HB2 LYS B 40 -5.427 2.509 -4.574 1.00 0.00 H new ATOM 0 HB3 LYS B 40 -4.770 1.564 -3.252 1.00 0.00 H new ATOM 0 HG2 LYS B 40 -6.494 2.576 -1.764 1.00 0.00 H new ATOM 0 HG3 LYS B 40 -7.196 3.333 -3.181 1.00 0.00 H new ATOM 0 HD2 LYS B 40 -7.517 1.199 -4.271 1.00 0.00 H new ATOM 0 HD3 LYS B 40 -6.557 0.368 -3.063 1.00 0.00 H new ATOM 0 HE2 LYS B 40 -8.301 1.001 -1.351 1.00 0.00 H new ATOM 0 HE3 LYS B 40 -9.280 1.633 -2.660 1.00 0.00 H new ATOM 0 HZ1 LYS B 40 -9.837 -0.656 -2.153 1.00 0.00 H new ATOM 0 HZ2 LYS B 40 -9.215 -0.529 -3.728 1.00 0.00 H new ATOM 0 HZ3 LYS B 40 -8.244 -1.145 -2.479 1.00 0.00 H new ATOM 1761 N LEU B 41 -3.757 2.812 -0.949 1.00 0.00 N ATOM 1762 CA LEU B 41 -3.568 2.845 0.494 1.00 0.00 C ATOM 1763 C LEU B 41 -2.659 3.996 0.885 1.00 0.00 C ATOM 1764 O LEU B 41 -2.910 4.702 1.866 1.00 0.00 O ATOM 1765 CB LEU B 41 -2.983 1.502 0.964 1.00 0.00 C ATOM 1766 CG LEU B 41 -2.560 1.388 2.433 1.00 0.00 C ATOM 1767 CD1 LEU B 41 -3.708 1.732 3.374 1.00 0.00 C ATOM 1768 CD2 LEU B 41 -2.070 -0.013 2.704 1.00 0.00 C ATOM 0 H LEU B 41 -3.469 1.933 -1.379 1.00 0.00 H new ATOM 0 HA LEU B 41 -4.531 3.001 0.980 1.00 0.00 H new ATOM 0 HB2 LEU B 41 -3.722 0.726 0.766 1.00 0.00 H new ATOM 0 HB3 LEU B 41 -2.113 1.279 0.346 1.00 0.00 H new ATOM 0 HG LEU B 41 -1.758 2.103 2.616 1.00 0.00 H new ATOM 0 HD11 LEU B 41 -3.372 1.640 4.407 1.00 0.00 H new ATOM 0 HD12 LEU B 41 -4.036 2.755 3.189 1.00 0.00 H new ATOM 0 HD13 LEU B 41 -4.538 1.047 3.201 1.00 0.00 H new ATOM 0 HD21 LEU B 41 -1.768 -0.097 3.748 1.00 0.00 H new ATOM 0 HD22 LEU B 41 -2.870 -0.724 2.499 1.00 0.00 H new ATOM 0 HD23 LEU B 41 -1.217 -0.231 2.061 1.00 0.00 H new ATOM 1780 N ILE B 42 -1.643 4.204 0.093 1.00 0.00 N ATOM 1781 CA ILE B 42 -0.707 5.265 0.345 1.00 0.00 C ATOM 1782 C ILE B 42 -1.377 6.621 0.128 1.00 0.00 C ATOM 1783 O ILE B 42 -1.426 7.426 1.044 1.00 0.00 O ATOM 1784 CB ILE B 42 0.602 5.104 -0.487 1.00 0.00 C ATOM 1785 CG1 ILE B 42 1.293 3.796 -0.087 1.00 0.00 C ATOM 1786 CG2 ILE B 42 1.542 6.276 -0.262 1.00 0.00 C ATOM 1787 CD1 ILE B 42 2.603 3.534 -0.785 1.00 0.00 C ATOM 0 H ILE B 42 -1.441 3.648 -0.738 1.00 0.00 H new ATOM 0 HA ILE B 42 -0.400 5.209 1.389 1.00 0.00 H new ATOM 0 HB ILE B 42 0.343 5.080 -1.546 1.00 0.00 H new ATOM 0 HG12 ILE B 42 1.467 3.808 0.989 1.00 0.00 H new ATOM 0 HG13 ILE B 42 0.616 2.967 -0.292 1.00 0.00 H new ATOM 0 HG21 ILE B 42 2.446 6.136 -0.855 1.00 0.00 H new ATOM 0 HG22 ILE B 42 1.050 7.200 -0.564 1.00 0.00 H new ATOM 0 HG23 ILE B 42 1.806 6.333 0.794 1.00 0.00 H new ATOM 0 HD11 ILE B 42 3.017 2.587 -0.438 1.00 0.00 H new ATOM 0 HD12 ILE B 42 2.438 3.486 -1.861 1.00 0.00 H new ATOM 0 HD13 ILE B 42 3.302 4.340 -0.561 1.00 0.00 H new ATOM 1799 N ASN B 43 -1.967 6.823 -1.050 1.00 0.00 N ATOM 1800 CA ASN B 43 -2.694 8.076 -1.401 1.00 0.00 C ATOM 1801 C ASN B 43 -3.767 8.423 -0.387 1.00 0.00 C ATOM 1802 O ASN B 43 -4.065 9.595 -0.170 1.00 0.00 O ATOM 1803 CB ASN B 43 -3.331 8.014 -2.801 1.00 0.00 C ATOM 1804 CG ASN B 43 -2.355 8.254 -3.945 1.00 0.00 C ATOM 1805 OD1 ASN B 43 -2.164 9.382 -4.378 1.00 0.00 O ATOM 1806 ND2 ASN B 43 -1.758 7.223 -4.447 1.00 0.00 N ATOM 0 H ASN B 43 -1.963 6.131 -1.799 1.00 0.00 H new ATOM 0 HA ASN B 43 -1.934 8.858 -1.395 1.00 0.00 H new ATOM 0 HB2 ASN B 43 -3.794 7.036 -2.933 1.00 0.00 H new ATOM 0 HB3 ASN B 43 -4.128 8.755 -2.858 1.00 0.00 H new ATOM 0 HD21 ASN B 43 -1.108 7.338 -5.225 1.00 0.00 H new ATOM 0 HD22 ASN B 43 -1.937 6.294 -4.065 1.00 0.00 H new ATOM 1813 N LYS B 44 -4.346 7.411 0.224 1.00 0.00 N ATOM 1814 CA LYS B 44 -5.338 7.590 1.271 1.00 0.00 C ATOM 1815 C LYS B 44 -4.716 8.314 2.466 1.00 0.00 C ATOM 1816 O LYS B 44 -5.234 9.305 2.952 1.00 0.00 O ATOM 1817 CB LYS B 44 -5.877 6.224 1.694 1.00 0.00 C ATOM 1818 CG LYS B 44 -6.905 6.258 2.819 1.00 0.00 C ATOM 1819 CD LYS B 44 -7.341 4.858 3.215 1.00 0.00 C ATOM 1820 CE LYS B 44 -8.081 4.159 2.083 1.00 0.00 C ATOM 1821 NZ LYS B 44 -9.340 4.848 1.722 1.00 0.00 N ATOM 0 H LYS B 44 -4.143 6.435 0.009 1.00 0.00 H new ATOM 0 HA LYS B 44 -6.161 8.197 0.894 1.00 0.00 H new ATOM 0 HB2 LYS B 44 -6.327 5.743 0.826 1.00 0.00 H new ATOM 0 HB3 LYS B 44 -5.039 5.600 2.006 1.00 0.00 H new ATOM 0 HG2 LYS B 44 -6.482 6.767 3.685 1.00 0.00 H new ATOM 0 HG3 LYS B 44 -7.774 6.835 2.503 1.00 0.00 H new ATOM 0 HD2 LYS B 44 -6.467 4.270 3.496 1.00 0.00 H new ATOM 0 HD3 LYS B 44 -7.985 4.912 4.093 1.00 0.00 H new ATOM 0 HE2 LYS B 44 -7.434 4.107 1.207 1.00 0.00 H new ATOM 0 HE3 LYS B 44 -8.303 3.133 2.377 1.00 0.00 H new ATOM 0 HZ1 LYS B 44 -9.912 4.229 1.112 1.00 0.00 H new ATOM 0 HZ2 LYS B 44 -9.874 5.072 2.586 1.00 0.00 H new ATOM 0 HZ3 LYS B 44 -9.121 5.728 1.213 1.00 0.00 H new ATOM 1835 N PHE B 45 -3.582 7.838 2.895 1.00 0.00 N ATOM 1836 CA PHE B 45 -2.909 8.425 4.022 1.00 0.00 C ATOM 1837 C PHE B 45 -2.215 9.740 3.673 1.00 0.00 C ATOM 1838 O PHE B 45 -2.093 10.617 4.514 1.00 0.00 O ATOM 1839 CB PHE B 45 -1.963 7.421 4.694 1.00 0.00 C ATOM 1840 CG PHE B 45 -2.680 6.409 5.566 1.00 0.00 C ATOM 1841 CD1 PHE B 45 -3.339 5.315 5.016 1.00 0.00 C ATOM 1842 CD2 PHE B 45 -2.692 6.562 6.946 1.00 0.00 C ATOM 1843 CE1 PHE B 45 -3.991 4.402 5.826 1.00 0.00 C ATOM 1844 CE2 PHE B 45 -3.342 5.649 7.758 1.00 0.00 C ATOM 1845 CZ PHE B 45 -3.991 4.570 7.195 1.00 0.00 C ATOM 0 H PHE B 45 -3.101 7.040 2.480 1.00 0.00 H new ATOM 0 HA PHE B 45 -3.676 8.681 4.753 1.00 0.00 H new ATOM 0 HB2 PHE B 45 -1.400 6.893 3.925 1.00 0.00 H new ATOM 0 HB3 PHE B 45 -1.240 7.965 5.301 1.00 0.00 H new ATOM 0 HD1 PHE B 45 -3.342 5.176 3.945 1.00 0.00 H new ATOM 0 HD2 PHE B 45 -2.187 7.406 7.392 1.00 0.00 H new ATOM 0 HE1 PHE B 45 -4.500 3.557 5.386 1.00 0.00 H new ATOM 0 HE2 PHE B 45 -3.341 5.781 8.830 1.00 0.00 H new ATOM 0 HZ PHE B 45 -4.499 3.856 7.826 1.00 0.00 H new ATOM 1855 N MET B 46 -1.826 9.895 2.430 1.00 0.00 N ATOM 1856 CA MET B 46 -1.112 11.087 2.006 1.00 0.00 C ATOM 1857 C MET B 46 -2.085 12.227 1.751 1.00 0.00 C ATOM 1858 O MET B 46 -1.839 13.391 2.121 1.00 0.00 O ATOM 1859 CB MET B 46 -0.385 10.850 0.681 1.00 0.00 C ATOM 1860 CG MET B 46 0.458 9.611 0.625 1.00 0.00 C ATOM 1861 SD MET B 46 1.524 9.571 -0.804 1.00 0.00 S ATOM 1862 CE MET B 46 2.699 10.779 -0.285 1.00 0.00 C ATOM 0 H MET B 46 -1.990 9.213 1.690 1.00 0.00 H new ATOM 0 HA MET B 46 -0.408 11.329 2.802 1.00 0.00 H new ATOM 0 HB2 MET B 46 -1.126 10.802 -0.117 1.00 0.00 H new ATOM 0 HB3 MET B 46 0.250 11.711 0.475 1.00 0.00 H new ATOM 0 HG2 MET B 46 1.065 9.548 1.528 1.00 0.00 H new ATOM 0 HG3 MET B 46 -0.190 8.735 0.615 1.00 0.00 H new ATOM 0 HE1 MET B 46 3.622 10.656 -0.852 1.00 0.00 H new ATOM 0 HE2 MET B 46 2.296 11.777 -0.460 1.00 0.00 H new ATOM 0 HE3 MET B 46 2.906 10.652 0.778 1.00 0.00 H new