USER MOD reduce.3.24.130724 H: found=0, std=0, add=308, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 308 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: B 1 ARG N :NH3+ -178:sc= 1.76 (180deg=-0.136) USER MOD Set 1.2: B 15 CYS SG : rot -114:sc= -1.38! USER MOD Set 1.3: B 19 THR OG1 : rot 99:sc= 1.78 USER MOD Single : B 3 LYS NZ :NH3+ -137:sc= 1.16 (180deg=-1.01) USER MOD Single : B 7 TYR OH : rot 180:sc= 0.972 USER MOD Single : B 8 THR OG1 : rot 48:sc= 0.825 USER MOD Single : B 10 ASN : amide:sc= 0.395 K(o=0.4,f=-3.4!) USER MOD Single : B 20 SER OG : rot 180:sc= 0 USER MOD Single : B 27 TYR OH : rot 180:sc= 0.926 USER MOD Single : B 30 SER OG : rot 7:sc= 0.971 USER MOD Single : B 32 CYS SG : rot -132:sc= 1.25 USER MOD Single : B 35 LYS NZ :NH3+ -171:sc= 0.288 (180deg=0.0998) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG B 1 -10.149 5.014 -1.247 1.00 0.38 N ATOM 2 CA ARG B 1 -11.473 4.960 -0.556 1.00 0.32 C ATOM 3 C ARG B 1 -12.195 3.636 -0.828 1.00 0.33 C ATOM 4 O ARG B 1 -12.187 3.144 -1.953 1.00 0.36 O ATOM 5 CB ARG B 1 -12.333 6.131 -1.048 1.00 0.27 C ATOM 6 CG ARG B 1 -11.805 7.499 -0.641 1.00 0.29 C ATOM 7 CD ARG B 1 -12.639 8.630 -1.232 1.00 0.28 C ATOM 8 NE ARG B 1 -14.037 8.584 -0.798 1.00 0.30 N ATOM 9 CZ ARG B 1 -14.924 9.518 -1.075 1.00 0.32 C ATOM 10 NH1 ARG B 1 -14.576 10.587 -1.739 1.00 0.33 N ATOM 11 NH2 ARG B 1 -16.164 9.390 -0.671 1.00 0.41 N ATOM 0 H1 ARG B 1 -9.672 5.909 -1.015 1.00 0.38 H new ATOM 0 H2 ARG B 1 -9.561 4.216 -0.933 1.00 0.38 H new ATOM 0 H3 ARG B 1 -10.292 4.955 -2.275 1.00 0.38 H new ATOM 0 HA ARG B 1 -11.310 5.032 0.519 1.00 0.32 H new ATOM 0 HB2 ARG B 1 -12.401 6.087 -2.135 1.00 0.27 H new ATOM 0 HB3 ARG B 1 -13.345 6.013 -0.661 1.00 0.27 H new ATOM 0 HG2 ARG B 1 -11.804 7.579 0.446 1.00 0.29 H new ATOM 0 HG3 ARG B 1 -10.771 7.601 -0.969 1.00 0.29 H new ATOM 0 HD2 ARG B 1 -12.204 9.587 -0.943 1.00 0.28 H new ATOM 0 HD3 ARG B 1 -12.598 8.577 -2.320 1.00 0.28 H new ATOM 0 HE ARG B 1 -14.342 7.781 -0.248 1.00 0.30 H new ATOM 0 HH11 ARG B 1 -13.611 10.704 -2.048 1.00 0.33 H new ATOM 0 HH12 ARG B 1 -15.269 11.305 -1.949 1.00 0.33 H new ATOM 0 HH21 ARG B 1 -16.445 8.565 -0.140 1.00 0.41 H new ATOM 0 HH22 ARG B 1 -16.848 10.115 -0.887 1.00 0.41 H new ATOM 27 N ARG B 2 -12.822 3.064 0.203 1.00 0.35 N ATOM 28 CA ARG B 2 -13.554 1.795 0.057 1.00 0.39 C ATOM 29 C ARG B 2 -14.965 2.016 -0.511 1.00 0.38 C ATOM 30 O ARG B 2 -15.946 1.479 0.012 1.00 0.42 O ATOM 31 CB ARG B 2 -13.647 1.069 1.404 1.00 0.43 C ATOM 32 CG ARG B 2 -12.304 0.627 1.964 1.00 0.46 C ATOM 33 CD ARG B 2 -12.464 -0.111 3.289 1.00 0.50 C ATOM 34 NE ARG B 2 -13.160 -1.395 3.146 1.00 0.52 N ATOM 35 CZ ARG B 2 -12.632 -2.470 2.591 1.00 0.52 C ATOM 36 NH1 ARG B 2 -11.403 -2.456 2.152 1.00 0.52 N ATOM 37 NH2 ARG B 2 -13.332 -3.570 2.493 1.00 0.58 N ATOM 0 H ARG B 2 -12.840 3.454 1.145 1.00 0.35 H new ATOM 0 HA ARG B 2 -12.996 1.178 -0.648 1.00 0.39 H new ATOM 0 HB2 ARG B 2 -14.131 1.726 2.126 1.00 0.43 H new ATOM 0 HB3 ARG B 2 -14.287 0.194 1.290 1.00 0.43 H new ATOM 0 HG2 ARG B 2 -11.804 -0.021 1.244 1.00 0.46 H new ATOM 0 HG3 ARG B 2 -11.664 1.498 2.107 1.00 0.46 H new ATOM 0 HD2 ARG B 2 -11.480 -0.283 3.724 1.00 0.50 H new ATOM 0 HD3 ARG B 2 -13.015 0.520 3.986 1.00 0.50 H new ATOM 0 HE ARG B 2 -14.115 -1.461 3.499 1.00 0.52 H new ATOM 0 HH11 ARG B 2 -10.841 -1.609 2.236 1.00 0.52 H new ATOM 0 HH12 ARG B 2 -11.005 -3.292 1.725 1.00 0.52 H new ATOM 0 HH21 ARG B 2 -14.289 -3.599 2.846 1.00 0.58 H new ATOM 0 HH22 ARG B 2 -12.921 -4.399 2.064 1.00 0.58 H new ATOM 51 N LYS B 3 -15.054 2.802 -1.584 1.00 0.35 N ATOM 52 CA LYS B 3 -16.332 3.105 -2.240 1.00 0.37 C ATOM 53 C LYS B 3 -16.115 3.474 -3.708 1.00 0.39 C ATOM 54 O LYS B 3 -15.233 4.271 -4.026 1.00 0.37 O ATOM 55 CB LYS B 3 -17.052 4.266 -1.536 1.00 0.35 C ATOM 56 CG LYS B 3 -17.774 3.864 -0.262 1.00 0.42 C ATOM 57 CD LYS B 3 -18.908 2.894 -0.551 1.00 0.52 C ATOM 58 CE LYS B 3 -19.400 2.222 0.718 1.00 0.60 C ATOM 59 NZ LYS B 3 -18.330 1.406 1.358 1.00 0.62 N ATOM 0 H LYS B 3 -14.248 3.246 -2.024 1.00 0.35 H new ATOM 0 HA LYS B 3 -16.949 2.209 -2.177 1.00 0.37 H new ATOM 0 HB2 LYS B 3 -16.324 5.041 -1.299 1.00 0.35 H new ATOM 0 HB3 LYS B 3 -17.772 4.705 -2.226 1.00 0.35 H new ATOM 0 HG2 LYS B 3 -17.067 3.405 0.429 1.00 0.42 H new ATOM 0 HG3 LYS B 3 -18.169 4.753 0.230 1.00 0.42 H new ATOM 0 HD2 LYS B 3 -19.732 3.427 -1.025 1.00 0.52 H new ATOM 0 HD3 LYS B 3 -18.569 2.136 -1.258 1.00 0.52 H new ATOM 0 HE2 LYS B 3 -19.749 2.980 1.420 1.00 0.60 H new ATOM 0 HE3 LYS B 3 -20.254 1.585 0.486 1.00 0.60 H new ATOM 0 HZ1 LYS B 3 -18.728 0.498 1.673 1.00 0.62 H new ATOM 0 HZ2 LYS B 3 -17.569 1.231 0.671 1.00 0.62 H new ATOM 0 HZ3 LYS B 3 -17.945 1.919 2.177 1.00 0.62 H new ATOM 73 N PRO B 4 -16.925 2.907 -4.624 1.00 0.47 N ATOM 74 CA PRO B 4 -16.823 3.189 -6.068 1.00 0.54 C ATOM 75 C PRO B 4 -17.323 4.594 -6.439 1.00 0.51 C ATOM 76 O PRO B 4 -18.118 4.759 -7.362 1.00 0.60 O ATOM 77 CB PRO B 4 -17.715 2.117 -6.695 1.00 0.66 C ATOM 78 CG PRO B 4 -18.720 1.799 -5.643 1.00 0.66 C ATOM 79 CD PRO B 4 -18.010 1.951 -4.326 1.00 0.55 C ATOM 0 HA PRO B 4 -15.790 3.166 -6.414 1.00 0.54 H new ATOM 0 HB2 PRO B 4 -18.194 2.482 -7.603 1.00 0.66 H new ATOM 0 HB3 PRO B 4 -17.139 1.234 -6.972 1.00 0.66 H new ATOM 0 HG2 PRO B 4 -19.575 2.473 -5.705 1.00 0.66 H new ATOM 0 HG3 PRO B 4 -19.103 0.786 -5.764 1.00 0.66 H new ATOM 0 HD2 PRO B 4 -18.677 2.331 -3.552 1.00 0.55 H new ATOM 0 HD3 PRO B 4 -17.618 0.998 -3.970 1.00 0.55 H new ATOM 87 N LEU B 5 -16.851 5.596 -5.703 1.00 0.42 N ATOM 88 CA LEU B 5 -17.237 6.988 -5.926 1.00 0.42 C ATOM 89 C LEU B 5 -16.069 7.938 -5.646 1.00 0.35 C ATOM 90 O LEU B 5 -16.138 8.775 -4.747 1.00 0.35 O ATOM 91 CB LEU B 5 -18.426 7.359 -5.041 1.00 0.46 C ATOM 92 CG LEU B 5 -19.774 6.820 -5.511 1.00 0.58 C ATOM 93 CD1 LEU B 5 -20.856 7.192 -4.521 1.00 0.64 C ATOM 94 CD2 LEU B 5 -20.113 7.357 -6.894 1.00 0.68 C ATOM 0 H LEU B 5 -16.191 5.467 -4.936 1.00 0.42 H new ATOM 0 HA LEU B 5 -17.522 7.090 -6.973 1.00 0.42 H new ATOM 0 HB2 LEU B 5 -18.237 6.992 -4.032 1.00 0.46 H new ATOM 0 HB3 LEU B 5 -18.488 8.445 -4.979 1.00 0.46 H new ATOM 0 HG LEU B 5 -19.712 5.733 -5.572 1.00 0.58 H new ATOM 0 HD11 LEU B 5 -21.814 6.803 -4.866 1.00 0.64 H new ATOM 0 HD12 LEU B 5 -20.620 6.765 -3.546 1.00 0.64 H new ATOM 0 HD13 LEU B 5 -20.915 8.277 -4.437 1.00 0.64 H new ATOM 0 HD21 LEU B 5 -21.078 6.961 -7.212 1.00 0.68 H new ATOM 0 HD22 LEU B 5 -20.161 8.445 -6.860 1.00 0.68 H new ATOM 0 HD23 LEU B 5 -19.344 7.049 -7.602 1.00 0.68 H new ATOM 106 N PHE B 6 -14.993 7.799 -6.414 1.00 0.35 N ATOM 107 CA PHE B 6 -13.804 8.646 -6.242 1.00 0.30 C ATOM 108 C PHE B 6 -14.002 10.058 -6.819 1.00 0.34 C ATOM 109 O PHE B 6 -13.166 10.548 -7.576 1.00 0.38 O ATOM 110 CB PHE B 6 -12.575 7.992 -6.887 1.00 0.34 C ATOM 111 CG PHE B 6 -12.035 6.805 -6.135 1.00 0.35 C ATOM 112 CD1 PHE B 6 -12.798 5.660 -5.964 1.00 0.47 C ATOM 113 CD2 PHE B 6 -10.754 6.834 -5.608 1.00 0.43 C ATOM 114 CE1 PHE B 6 -12.293 4.569 -5.280 1.00 0.55 C ATOM 115 CE2 PHE B 6 -10.244 5.747 -4.924 1.00 0.49 C ATOM 116 CZ PHE B 6 -11.015 4.614 -4.759 1.00 0.51 C ATOM 0 H PHE B 6 -14.914 7.110 -7.162 1.00 0.35 H new ATOM 0 HA PHE B 6 -13.643 8.745 -5.169 1.00 0.30 H new ATOM 0 HB2 PHE B 6 -12.834 7.679 -7.898 1.00 0.34 H new ATOM 0 HB3 PHE B 6 -11.786 8.739 -6.977 1.00 0.34 H new ATOM 0 HD1 PHE B 6 -13.798 5.620 -6.370 1.00 0.47 H new ATOM 0 HD2 PHE B 6 -10.146 7.718 -5.733 1.00 0.43 H new ATOM 0 HE1 PHE B 6 -12.898 3.683 -5.154 1.00 0.55 H new ATOM 0 HE2 PHE B 6 -9.243 5.784 -4.519 1.00 0.49 H new ATOM 0 HZ PHE B 6 -10.619 3.764 -4.223 1.00 0.51 H new ATOM 126 N TYR B 7 -15.106 10.706 -6.448 1.00 0.36 N ATOM 127 CA TYR B 7 -15.412 12.060 -6.919 1.00 0.42 C ATOM 128 C TYR B 7 -14.425 13.100 -6.363 1.00 0.42 C ATOM 129 O TYR B 7 -14.216 14.153 -6.965 1.00 0.50 O ATOM 130 CB TYR B 7 -16.859 12.430 -6.552 1.00 0.48 C ATOM 131 CG TYR B 7 -17.240 12.107 -5.122 1.00 0.45 C ATOM 132 CD1 TYR B 7 -16.686 12.802 -4.056 1.00 0.45 C ATOM 133 CD2 TYR B 7 -18.151 11.096 -4.839 1.00 0.47 C ATOM 134 CE1 TYR B 7 -17.023 12.501 -2.754 1.00 0.46 C ATOM 135 CE2 TYR B 7 -18.490 10.786 -3.536 1.00 0.48 C ATOM 136 CZ TYR B 7 -17.921 11.491 -2.498 1.00 0.46 C ATOM 137 OH TYR B 7 -18.239 11.176 -1.197 1.00 0.50 O ATOM 0 H TYR B 7 -15.807 10.314 -5.820 1.00 0.36 H new ATOM 0 HA TYR B 7 -15.306 12.068 -8.004 1.00 0.42 H new ATOM 0 HB2 TYR B 7 -17.003 13.497 -6.722 1.00 0.48 H new ATOM 0 HB3 TYR B 7 -17.538 11.905 -7.224 1.00 0.48 H new ATOM 0 HD1 TYR B 7 -15.977 13.594 -4.250 1.00 0.45 H new ATOM 0 HD2 TYR B 7 -18.601 10.544 -5.651 1.00 0.47 H new ATOM 0 HE1 TYR B 7 -16.584 13.056 -1.938 1.00 0.46 H new ATOM 0 HE2 TYR B 7 -19.197 9.995 -3.332 1.00 0.48 H new ATOM 0 HH TYR B 7 -18.888 10.442 -1.187 1.00 0.50 H new ATOM 147 N THR B 8 -13.821 12.797 -5.213 1.00 0.36 N ATOM 148 CA THR B 8 -12.858 13.705 -4.588 1.00 0.38 C ATOM 149 C THR B 8 -11.507 13.674 -5.301 1.00 0.35 C ATOM 150 O THR B 8 -10.741 12.721 -5.159 1.00 0.37 O ATOM 151 CB THR B 8 -12.627 13.365 -3.102 1.00 0.39 C ATOM 152 OG1 THR B 8 -12.403 11.955 -2.947 1.00 0.34 O ATOM 153 CG2 THR B 8 -13.809 13.802 -2.250 1.00 0.47 C ATOM 0 H THR B 8 -13.981 11.932 -4.697 1.00 0.36 H new ATOM 0 HA THR B 8 -13.293 14.701 -4.669 1.00 0.38 H new ATOM 0 HB THR B 8 -11.744 13.908 -2.763 1.00 0.39 H new ATOM 0 HG1 THR B 8 -11.738 11.655 -3.602 1.00 0.34 H new ATOM 0 HG21 THR B 8 -13.619 13.550 -1.207 1.00 0.47 H new ATOM 0 HG22 THR B 8 -13.946 14.879 -2.344 1.00 0.47 H new ATOM 0 HG23 THR B 8 -14.710 13.291 -2.588 1.00 0.47 H new ATOM 161 N ILE B 9 -11.221 14.728 -6.058 1.00 0.39 N ATOM 162 CA ILE B 9 -9.959 14.834 -6.791 1.00 0.39 C ATOM 163 C ILE B 9 -8.787 15.151 -5.846 1.00 0.38 C ATOM 164 O ILE B 9 -7.644 14.761 -6.103 1.00 0.37 O ATOM 165 CB ILE B 9 -10.049 15.903 -7.908 1.00 0.48 C ATOM 166 CG1 ILE B 9 -8.739 15.971 -8.702 1.00 0.53 C ATOM 167 CG2 ILE B 9 -10.399 17.269 -7.324 1.00 0.54 C ATOM 168 CD1 ILE B 9 -8.784 16.925 -9.877 1.00 0.67 C ATOM 0 H ILE B 9 -11.846 15.524 -6.182 1.00 0.39 H new ATOM 0 HA ILE B 9 -9.772 13.865 -7.254 1.00 0.39 H new ATOM 0 HB ILE B 9 -10.846 15.612 -8.592 1.00 0.48 H new ATOM 0 HG12 ILE B 9 -7.934 16.273 -8.032 1.00 0.53 H new ATOM 0 HG13 ILE B 9 -8.493 14.973 -9.066 1.00 0.53 H new ATOM 0 HG21 ILE B 9 -10.457 18.004 -8.127 1.00 0.54 H new ATOM 0 HG22 ILE B 9 -11.361 17.211 -6.815 1.00 0.54 H new ATOM 0 HG23 ILE B 9 -9.629 17.569 -6.613 1.00 0.54 H new ATOM 0 HD11 ILE B 9 -7.822 16.918 -10.389 1.00 0.67 H new ATOM 0 HD12 ILE B 9 -9.565 16.612 -10.570 1.00 0.67 H new ATOM 0 HD13 ILE B 9 -8.998 17.932 -9.520 1.00 0.67 H new ATOM 180 N ASN B 10 -9.081 15.861 -4.755 1.00 0.41 N ATOM 181 CA ASN B 10 -8.064 16.238 -3.773 1.00 0.43 C ATOM 182 C ASN B 10 -7.350 15.006 -3.205 1.00 0.38 C ATOM 183 O ASN B 10 -7.954 14.194 -2.502 1.00 0.39 O ATOM 184 CB ASN B 10 -8.704 17.031 -2.630 1.00 0.51 C ATOM 185 CG ASN B 10 -9.598 18.152 -3.127 1.00 0.57 C ATOM 186 OD1 ASN B 10 -10.632 17.911 -3.745 1.00 0.58 O ATOM 187 ND2 ASN B 10 -9.207 19.385 -2.862 1.00 0.66 N ATOM 0 H ASN B 10 -10.021 16.188 -4.529 1.00 0.41 H new ATOM 0 HA ASN B 10 -7.326 16.858 -4.281 1.00 0.43 H new ATOM 0 HB2 ASN B 10 -9.288 16.355 -2.006 1.00 0.51 H new ATOM 0 HB3 ASN B 10 -7.920 17.449 -1.999 1.00 0.51 H new ATOM 0 HD21 ASN B 10 -9.770 20.177 -3.173 1.00 0.66 H new ATOM 0 HD22 ASN B 10 -8.342 19.546 -2.346 1.00 0.66 H new ATOM 194 N LEU B 11 -6.059 14.885 -3.523 1.00 0.37 N ATOM 195 CA LEU B 11 -5.229 13.765 -3.064 1.00 0.35 C ATOM 196 C LEU B 11 -5.803 12.405 -3.492 1.00 0.29 C ATOM 197 O LEU B 11 -5.697 11.418 -2.761 1.00 0.30 O ATOM 198 CB LEU B 11 -5.063 13.809 -1.540 1.00 0.41 C ATOM 199 CG LEU B 11 -4.363 15.057 -0.995 1.00 0.51 C ATOM 200 CD1 LEU B 11 -4.319 15.021 0.524 1.00 0.60 C ATOM 201 CD2 LEU B 11 -2.958 15.175 -1.566 1.00 0.57 C ATOM 0 H LEU B 11 -5.559 15.558 -4.104 1.00 0.37 H new ATOM 0 HA LEU B 11 -4.253 13.874 -3.537 1.00 0.35 H new ATOM 0 HB2 LEU B 11 -6.049 13.736 -1.081 1.00 0.41 H new ATOM 0 HB3 LEU B 11 -4.500 12.930 -1.227 1.00 0.41 H new ATOM 0 HG LEU B 11 -4.933 15.933 -1.304 1.00 0.51 H new ATOM 0 HD11 LEU B 11 -3.818 15.915 0.895 1.00 0.60 H new ATOM 0 HD12 LEU B 11 -5.335 14.985 0.917 1.00 0.60 H new ATOM 0 HD13 LEU B 11 -3.772 14.137 0.851 1.00 0.60 H new ATOM 0 HD21 LEU B 11 -2.477 16.068 -1.167 1.00 0.57 H new ATOM 0 HD22 LEU B 11 -2.377 14.295 -1.289 1.00 0.57 H new ATOM 0 HD23 LEU B 11 -3.012 15.247 -2.652 1.00 0.57 H new ATOM 213 N ILE B 12 -6.407 12.359 -4.678 1.00 0.26 N ATOM 214 CA ILE B 12 -6.992 11.120 -5.191 1.00 0.23 C ATOM 215 C ILE B 12 -5.899 10.090 -5.535 1.00 0.22 C ATOM 216 O ILE B 12 -6.069 8.895 -5.284 1.00 0.22 O ATOM 217 CB ILE B 12 -7.920 11.408 -6.411 1.00 0.28 C ATOM 218 CG1 ILE B 12 -8.887 10.238 -6.678 1.00 0.32 C ATOM 219 CG2 ILE B 12 -7.117 11.739 -7.664 1.00 0.34 C ATOM 220 CD1 ILE B 12 -8.276 9.049 -7.394 1.00 0.37 C ATOM 0 H ILE B 12 -6.504 13.161 -5.300 1.00 0.26 H new ATOM 0 HA ILE B 12 -7.609 10.684 -4.405 1.00 0.23 H new ATOM 0 HB ILE B 12 -8.516 12.284 -6.154 1.00 0.28 H new ATOM 0 HG12 ILE B 12 -9.294 9.899 -5.725 1.00 0.32 H new ATOM 0 HG13 ILE B 12 -9.725 10.607 -7.269 1.00 0.32 H new ATOM 0 HG21 ILE B 12 -7.799 11.933 -8.492 1.00 0.34 H new ATOM 0 HG22 ILE B 12 -6.506 12.623 -7.482 1.00 0.34 H new ATOM 0 HG23 ILE B 12 -6.471 10.897 -7.915 1.00 0.34 H new ATOM 0 HD11 ILE B 12 -9.035 8.280 -7.535 1.00 0.37 H new ATOM 0 HD12 ILE B 12 -7.895 9.365 -8.365 1.00 0.37 H new ATOM 0 HD13 ILE B 12 -7.458 8.646 -6.797 1.00 0.37 H new ATOM 232 N ILE B 13 -4.775 10.558 -6.089 1.00 0.25 N ATOM 233 CA ILE B 13 -3.663 9.672 -6.452 1.00 0.27 C ATOM 234 C ILE B 13 -3.149 8.884 -5.232 1.00 0.23 C ATOM 235 O ILE B 13 -3.235 7.656 -5.210 1.00 0.23 O ATOM 236 CB ILE B 13 -2.489 10.444 -7.114 1.00 0.34 C ATOM 237 CG1 ILE B 13 -2.932 11.121 -8.418 1.00 0.39 C ATOM 238 CG2 ILE B 13 -1.317 9.513 -7.381 1.00 0.40 C ATOM 239 CD1 ILE B 13 -3.590 12.471 -8.220 1.00 0.44 C ATOM 0 H ILE B 13 -4.611 11.543 -6.296 1.00 0.25 H new ATOM 0 HA ILE B 13 -4.059 8.968 -7.184 1.00 0.27 H new ATOM 0 HB ILE B 13 -2.171 11.220 -6.418 1.00 0.34 H new ATOM 0 HG12 ILE B 13 -2.063 11.243 -9.065 1.00 0.39 H new ATOM 0 HG13 ILE B 13 -3.627 10.463 -8.939 1.00 0.39 H new ATOM 0 HG21 ILE B 13 -0.505 10.074 -7.845 1.00 0.40 H new ATOM 0 HG22 ILE B 13 -0.971 9.085 -6.440 1.00 0.40 H new ATOM 0 HG23 ILE B 13 -1.633 8.712 -8.050 1.00 0.40 H new ATOM 0 HD11 ILE B 13 -3.874 12.883 -9.188 1.00 0.44 H new ATOM 0 HD12 ILE B 13 -4.479 12.355 -7.600 1.00 0.44 H new ATOM 0 HD13 ILE B 13 -2.891 13.148 -7.728 1.00 0.44 H new ATOM 251 N PRO B 14 -2.625 9.560 -4.180 1.00 0.24 N ATOM 252 CA PRO B 14 -2.140 8.870 -2.979 1.00 0.25 C ATOM 253 C PRO B 14 -3.215 7.967 -2.367 1.00 0.21 C ATOM 254 O PRO B 14 -2.928 6.855 -1.928 1.00 0.22 O ATOM 255 CB PRO B 14 -1.773 10.007 -2.013 1.00 0.31 C ATOM 256 CG PRO B 14 -2.411 11.231 -2.578 1.00 0.31 C ATOM 257 CD PRO B 14 -2.475 11.019 -4.062 1.00 0.29 C ATOM 0 HA PRO B 14 -1.299 8.213 -3.201 1.00 0.25 H new ATOM 0 HB2 PRO B 14 -2.140 9.802 -1.007 1.00 0.31 H new ATOM 0 HB3 PRO B 14 -0.692 10.126 -1.940 1.00 0.31 H new ATOM 0 HG2 PRO B 14 -3.408 11.379 -2.162 1.00 0.31 H new ATOM 0 HG3 PRO B 14 -1.830 12.121 -2.336 1.00 0.31 H new ATOM 0 HD2 PRO B 14 -3.316 11.549 -4.510 1.00 0.29 H new ATOM 0 HD3 PRO B 14 -1.573 11.374 -4.560 1.00 0.29 H new ATOM 265 N CYS B 15 -4.459 8.450 -2.365 1.00 0.20 N ATOM 266 CA CYS B 15 -5.583 7.685 -1.826 1.00 0.20 C ATOM 267 C CYS B 15 -5.772 6.362 -2.574 1.00 0.18 C ATOM 268 O CYS B 15 -5.874 5.303 -1.950 1.00 0.20 O ATOM 269 CB CYS B 15 -6.873 8.505 -1.899 1.00 0.24 C ATOM 270 SG CYS B 15 -8.330 7.658 -1.236 1.00 0.35 S ATOM 0 H CYS B 15 -4.713 9.368 -2.731 1.00 0.20 H new ATOM 0 HA CYS B 15 -5.355 7.460 -0.784 1.00 0.20 H new ATOM 0 HB2 CYS B 15 -6.729 9.437 -1.353 1.00 0.24 H new ATOM 0 HB3 CYS B 15 -7.063 8.771 -2.939 1.00 0.24 H new ATOM 0 HG CYS B 15 -9.174 7.429 -2.198 1.00 0.35 H new ATOM 276 N VAL B 16 -5.812 6.414 -3.909 1.00 0.19 N ATOM 277 CA VAL B 16 -5.985 5.198 -4.699 1.00 0.20 C ATOM 278 C VAL B 16 -4.773 4.268 -4.553 1.00 0.21 C ATOM 279 O VAL B 16 -4.939 3.057 -4.408 1.00 0.24 O ATOM 280 CB VAL B 16 -6.290 5.488 -6.193 1.00 0.25 C ATOM 281 CG1 VAL B 16 -5.092 6.071 -6.917 1.00 0.30 C ATOM 282 CG2 VAL B 16 -6.779 4.228 -6.893 1.00 0.32 C ATOM 0 H VAL B 16 -5.728 7.271 -4.455 1.00 0.19 H new ATOM 0 HA VAL B 16 -6.861 4.689 -4.297 1.00 0.20 H new ATOM 0 HB VAL B 16 -7.081 6.237 -6.223 1.00 0.25 H new ATOM 0 HG11 VAL B 16 -5.352 6.258 -7.959 1.00 0.30 H new ATOM 0 HG12 VAL B 16 -4.801 7.008 -6.442 1.00 0.30 H new ATOM 0 HG13 VAL B 16 -4.261 5.367 -6.871 1.00 0.30 H new ATOM 0 HG21 VAL B 16 -6.988 4.451 -7.939 1.00 0.32 H new ATOM 0 HG22 VAL B 16 -6.011 3.457 -6.832 1.00 0.32 H new ATOM 0 HG23 VAL B 16 -7.689 3.873 -6.409 1.00 0.32 H new ATOM 292 N LEU B 17 -3.557 4.833 -4.555 1.00 0.21 N ATOM 293 CA LEU B 17 -2.346 4.028 -4.390 1.00 0.24 C ATOM 294 C LEU B 17 -2.373 3.284 -3.054 1.00 0.23 C ATOM 295 O LEU B 17 -2.222 2.063 -3.017 1.00 0.26 O ATOM 296 CB LEU B 17 -1.106 4.915 -4.464 1.00 0.27 C ATOM 297 CG LEU B 17 -1.016 5.793 -5.709 1.00 0.29 C ATOM 298 CD1 LEU B 17 0.262 6.610 -5.688 1.00 0.37 C ATOM 299 CD2 LEU B 17 -1.102 4.945 -6.969 1.00 0.36 C ATOM 0 H LEU B 17 -3.390 5.833 -4.668 1.00 0.21 H new ATOM 0 HA LEU B 17 -2.309 3.297 -5.198 1.00 0.24 H new ATOM 0 HB2 LEU B 17 -1.083 5.556 -3.583 1.00 0.27 H new ATOM 0 HB3 LEU B 17 -0.221 4.281 -4.420 1.00 0.27 H new ATOM 0 HG LEU B 17 -1.860 6.483 -5.711 1.00 0.29 H new ATOM 0 HD11 LEU B 17 0.312 7.231 -6.582 1.00 0.37 H new ATOM 0 HD12 LEU B 17 0.272 7.247 -4.803 1.00 0.37 H new ATOM 0 HD13 LEU B 17 1.122 5.940 -5.663 1.00 0.37 H new ATOM 0 HD21 LEU B 17 -1.036 5.589 -7.846 1.00 0.36 H new ATOM 0 HD22 LEU B 17 -0.281 4.229 -6.982 1.00 0.36 H new ATOM 0 HD23 LEU B 17 -2.051 4.409 -6.983 1.00 0.36 H new ATOM 311 N ILE B 18 -2.593 4.022 -1.962 1.00 0.22 N ATOM 312 CA ILE B 18 -2.665 3.421 -0.631 1.00 0.25 C ATOM 313 C ILE B 18 -3.791 2.388 -0.568 1.00 0.25 C ATOM 314 O ILE B 18 -3.609 1.294 -0.032 1.00 0.27 O ATOM 315 CB ILE B 18 -2.879 4.495 0.459 1.00 0.29 C ATOM 316 CG1 ILE B 18 -1.702 5.474 0.473 1.00 0.32 C ATOM 317 CG2 ILE B 18 -3.063 3.854 1.829 1.00 0.37 C ATOM 318 CD1 ILE B 18 -0.374 4.837 0.831 1.00 0.41 C ATOM 0 H ILE B 18 -2.724 5.034 -1.975 1.00 0.22 H new ATOM 0 HA ILE B 18 -1.713 2.924 -0.442 1.00 0.25 H new ATOM 0 HB ILE B 18 -3.789 5.046 0.224 1.00 0.29 H new ATOM 0 HG12 ILE B 18 -1.617 5.938 -0.510 1.00 0.32 H new ATOM 0 HG13 ILE B 18 -1.914 6.271 1.185 1.00 0.32 H new ATOM 0 HG21 ILE B 18 -3.212 4.632 2.578 1.00 0.37 H new ATOM 0 HG22 ILE B 18 -3.933 3.198 1.810 1.00 0.37 H new ATOM 0 HG23 ILE B 18 -2.176 3.273 2.081 1.00 0.37 H new ATOM 0 HD11 ILE B 18 0.408 5.596 0.819 1.00 0.41 H new ATOM 0 HD12 ILE B 18 -0.438 4.397 1.826 1.00 0.41 H new ATOM 0 HD13 ILE B 18 -0.136 4.059 0.105 1.00 0.41 H new ATOM 330 N THR B 19 -4.945 2.726 -1.148 1.00 0.24 N ATOM 331 CA THR B 19 -6.082 1.803 -1.177 1.00 0.26 C ATOM 332 C THR B 19 -5.702 0.521 -1.924 1.00 0.26 C ATOM 333 O THR B 19 -5.956 -0.584 -1.443 1.00 0.29 O ATOM 334 CB THR B 19 -7.323 2.437 -1.850 1.00 0.27 C ATOM 335 OG1 THR B 19 -7.686 3.652 -1.176 1.00 0.28 O ATOM 336 CG2 THR B 19 -8.506 1.480 -1.832 1.00 0.32 C ATOM 0 H THR B 19 -5.116 3.624 -1.600 1.00 0.24 H new ATOM 0 HA THR B 19 -6.337 1.571 -0.143 1.00 0.26 H new ATOM 0 HB THR B 19 -7.065 2.655 -2.886 1.00 0.27 H new ATOM 0 HG1 THR B 19 -7.336 4.420 -1.674 1.00 0.28 H new ATOM 0 HG21 THR B 19 -9.363 1.952 -2.311 1.00 0.32 H new ATOM 0 HG22 THR B 19 -8.245 0.569 -2.371 1.00 0.32 H new ATOM 0 HG23 THR B 19 -8.758 1.232 -0.801 1.00 0.32 H new ATOM 344 N SER B 20 -5.067 0.680 -3.088 1.00 0.25 N ATOM 345 CA SER B 20 -4.620 -0.460 -3.898 1.00 0.26 C ATOM 346 C SER B 20 -3.647 -1.340 -3.111 1.00 0.27 C ATOM 347 O SER B 20 -3.838 -2.553 -3.009 1.00 0.29 O ATOM 348 CB SER B 20 -3.952 0.029 -5.189 1.00 0.30 C ATOM 349 OG SER B 20 -3.503 -1.057 -5.983 1.00 0.34 O ATOM 0 H SER B 20 -4.849 1.590 -3.493 1.00 0.25 H new ATOM 0 HA SER B 20 -5.497 -1.055 -4.154 1.00 0.26 H new ATOM 0 HB2 SER B 20 -4.658 0.632 -5.760 1.00 0.30 H new ATOM 0 HB3 SER B 20 -3.109 0.674 -4.942 1.00 0.30 H new ATOM 0 HG SER B 20 -3.083 -0.714 -6.799 1.00 0.34 H new ATOM 355 N LEU B 21 -2.610 -0.721 -2.538 1.00 0.26 N ATOM 356 CA LEU B 21 -1.624 -1.449 -1.744 1.00 0.30 C ATOM 357 C LEU B 21 -2.292 -2.166 -0.568 1.00 0.29 C ATOM 358 O LEU B 21 -2.013 -3.342 -0.304 1.00 0.32 O ATOM 359 CB LEU B 21 -0.556 -0.487 -1.226 1.00 0.34 C ATOM 360 CG LEU B 21 0.103 0.377 -2.300 1.00 0.37 C ATOM 361 CD1 LEU B 21 1.119 1.318 -1.677 1.00 0.47 C ATOM 362 CD2 LEU B 21 0.749 -0.496 -3.365 1.00 0.43 C ATOM 0 H LEU B 21 -2.435 0.281 -2.611 1.00 0.26 H new ATOM 0 HA LEU B 21 -1.156 -2.197 -2.383 1.00 0.30 H new ATOM 0 HB2 LEU B 21 -1.007 0.167 -0.480 1.00 0.34 H new ATOM 0 HB3 LEU B 21 0.217 -1.064 -0.719 1.00 0.34 H new ATOM 0 HG LEU B 21 -0.667 0.981 -2.780 1.00 0.37 H new ATOM 0 HD11 LEU B 21 1.578 1.926 -2.457 1.00 0.47 H new ATOM 0 HD12 LEU B 21 0.620 1.967 -0.958 1.00 0.47 H new ATOM 0 HD13 LEU B 21 1.889 0.737 -1.169 1.00 0.47 H new ATOM 0 HD21 LEU B 21 1.213 0.137 -4.122 1.00 0.43 H new ATOM 0 HD22 LEU B 21 1.508 -1.129 -2.905 1.00 0.43 H new ATOM 0 HD23 LEU B 21 -0.011 -1.122 -3.832 1.00 0.43 H new ATOM 374 N ALA B 22 -3.192 -1.460 0.127 1.00 0.29 N ATOM 375 CA ALA B 22 -3.902 -2.051 1.256 1.00 0.31 C ATOM 376 C ALA B 22 -4.680 -3.279 0.819 1.00 0.30 C ATOM 377 O ALA B 22 -4.472 -4.347 1.355 1.00 0.32 O ATOM 378 CB ALA B 22 -4.836 -1.052 1.919 1.00 0.35 C ATOM 0 H ALA B 22 -3.440 -0.491 -0.073 1.00 0.29 H new ATOM 0 HA ALA B 22 -3.152 -2.348 1.989 1.00 0.31 H new ATOM 0 HB1 ALA B 22 -5.346 -1.530 2.755 1.00 0.35 H new ATOM 0 HB2 ALA B 22 -4.260 -0.202 2.284 1.00 0.35 H new ATOM 0 HB3 ALA B 22 -5.573 -0.706 1.194 1.00 0.35 H new ATOM 384 N ILE B 23 -5.552 -3.130 -0.174 1.00 0.29 N ATOM 385 CA ILE B 23 -6.336 -4.268 -0.679 1.00 0.30 C ATOM 386 C ILE B 23 -5.411 -5.397 -1.153 1.00 0.29 C ATOM 387 O ILE B 23 -5.705 -6.565 -0.942 1.00 0.31 O ATOM 388 CB ILE B 23 -7.283 -3.852 -1.830 1.00 0.33 C ATOM 389 CG1 ILE B 23 -8.164 -2.670 -1.405 1.00 0.37 C ATOM 390 CG2 ILE B 23 -8.154 -5.023 -2.265 1.00 0.38 C ATOM 391 CD1 ILE B 23 -9.027 -2.952 -0.194 1.00 0.44 C ATOM 0 H ILE B 23 -5.737 -2.245 -0.645 1.00 0.29 H new ATOM 0 HA ILE B 23 -6.947 -4.626 0.149 1.00 0.30 H new ATOM 0 HB ILE B 23 -6.668 -3.544 -2.676 1.00 0.33 H new ATOM 0 HG12 ILE B 23 -7.526 -1.812 -1.192 1.00 0.37 H new ATOM 0 HG13 ILE B 23 -8.807 -2.390 -2.240 1.00 0.37 H new ATOM 0 HG21 ILE B 23 -8.811 -4.706 -3.075 1.00 0.38 H new ATOM 0 HG22 ILE B 23 -7.520 -5.840 -2.610 1.00 0.38 H new ATOM 0 HG23 ILE B 23 -8.755 -5.362 -1.421 1.00 0.38 H new ATOM 0 HD11 ILE B 23 -9.620 -2.069 0.044 1.00 0.44 H new ATOM 0 HD12 ILE B 23 -9.692 -3.789 -0.408 1.00 0.44 H new ATOM 0 HD13 ILE B 23 -8.391 -3.202 0.656 1.00 0.44 H new ATOM 403 N LEU B 24 -4.282 -5.045 -1.766 1.00 0.29 N ATOM 404 CA LEU B 24 -3.321 -6.051 -2.223 1.00 0.32 C ATOM 405 C LEU B 24 -2.821 -6.889 -1.036 1.00 0.33 C ATOM 406 O LEU B 24 -2.774 -8.117 -1.103 1.00 0.36 O ATOM 407 CB LEU B 24 -2.140 -5.376 -2.926 1.00 0.34 C ATOM 408 CG LEU B 24 -1.101 -6.327 -3.524 1.00 0.40 C ATOM 409 CD1 LEU B 24 -1.718 -7.167 -4.633 1.00 0.49 C ATOM 410 CD2 LEU B 24 0.095 -5.546 -4.046 1.00 0.47 C ATOM 0 H LEU B 24 -4.011 -4.081 -1.957 1.00 0.29 H new ATOM 0 HA LEU B 24 -3.820 -6.711 -2.932 1.00 0.32 H new ATOM 0 HB2 LEU B 24 -2.528 -4.741 -3.723 1.00 0.34 H new ATOM 0 HB3 LEU B 24 -1.640 -4.721 -2.212 1.00 0.34 H new ATOM 0 HG LEU B 24 -0.757 -7.000 -2.738 1.00 0.40 H new ATOM 0 HD11 LEU B 24 -0.963 -7.837 -5.045 1.00 0.49 H new ATOM 0 HD12 LEU B 24 -2.542 -7.755 -4.229 1.00 0.49 H new ATOM 0 HD13 LEU B 24 -2.091 -6.512 -5.421 1.00 0.49 H new ATOM 0 HD21 LEU B 24 0.825 -6.237 -4.468 1.00 0.47 H new ATOM 0 HD22 LEU B 24 -0.234 -4.850 -4.817 1.00 0.47 H new ATOM 0 HD23 LEU B 24 0.552 -4.991 -3.227 1.00 0.47 H new ATOM 422 N VAL B 25 -2.468 -6.210 0.055 1.00 0.32 N ATOM 423 CA VAL B 25 -1.994 -6.880 1.273 1.00 0.36 C ATOM 424 C VAL B 25 -3.161 -7.496 2.064 1.00 0.35 C ATOM 425 O VAL B 25 -3.096 -8.636 2.517 1.00 0.37 O ATOM 426 CB VAL B 25 -1.242 -5.881 2.183 1.00 0.40 C ATOM 427 CG1 VAL B 25 -0.881 -6.512 3.520 1.00 0.44 C ATOM 428 CG2 VAL B 25 0.004 -5.360 1.483 1.00 0.43 C ATOM 0 H VAL B 25 -2.500 -5.193 0.124 1.00 0.32 H new ATOM 0 HA VAL B 25 -1.318 -7.677 0.963 1.00 0.36 H new ATOM 0 HB VAL B 25 -1.908 -5.042 2.382 1.00 0.40 H new ATOM 0 HG11 VAL B 25 -0.354 -5.783 4.136 1.00 0.44 H new ATOM 0 HG12 VAL B 25 -1.791 -6.828 4.031 1.00 0.44 H new ATOM 0 HG13 VAL B 25 -0.240 -7.377 3.353 1.00 0.44 H new ATOM 0 HG21 VAL B 25 0.522 -4.658 2.137 1.00 0.43 H new ATOM 0 HG22 VAL B 25 0.666 -6.194 1.249 1.00 0.43 H new ATOM 0 HG23 VAL B 25 -0.282 -4.854 0.561 1.00 0.43 H new ATOM 438 N PHE B 26 -4.211 -6.703 2.225 1.00 0.34 N ATOM 439 CA PHE B 26 -5.423 -7.080 2.959 1.00 0.37 C ATOM 440 C PHE B 26 -6.156 -8.257 2.306 1.00 0.36 C ATOM 441 O PHE B 26 -6.459 -9.256 2.955 1.00 0.38 O ATOM 442 CB PHE B 26 -6.354 -5.859 3.022 1.00 0.38 C ATOM 443 CG PHE B 26 -5.938 -4.810 4.027 1.00 0.42 C ATOM 444 CD1 PHE B 26 -4.609 -4.675 4.409 1.00 0.49 C ATOM 445 CD2 PHE B 26 -6.875 -3.954 4.583 1.00 0.58 C ATOM 446 CE1 PHE B 26 -4.227 -3.715 5.323 1.00 0.54 C ATOM 447 CE2 PHE B 26 -6.497 -2.991 5.498 1.00 0.66 C ATOM 448 CZ PHE B 26 -5.172 -2.871 5.870 1.00 0.57 C ATOM 0 H PHE B 26 -4.250 -5.758 1.843 1.00 0.34 H new ATOM 0 HA PHE B 26 -5.132 -7.400 3.959 1.00 0.37 H new ATOM 0 HB2 PHE B 26 -6.400 -5.401 2.034 1.00 0.38 H new ATOM 0 HB3 PHE B 26 -7.362 -6.197 3.264 1.00 0.38 H new ATOM 0 HD1 PHE B 26 -3.864 -5.331 3.984 1.00 0.49 H new ATOM 0 HD2 PHE B 26 -7.913 -4.041 4.298 1.00 0.58 H new ATOM 0 HE1 PHE B 26 -3.190 -3.624 5.610 1.00 0.54 H new ATOM 0 HE2 PHE B 26 -7.238 -2.331 5.923 1.00 0.66 H new ATOM 0 HZ PHE B 26 -4.877 -2.119 6.587 1.00 0.57 H new ATOM 458 N TYR B 27 -6.429 -8.128 1.017 1.00 0.34 N ATOM 459 CA TYR B 27 -7.118 -9.165 0.255 1.00 0.34 C ATOM 460 C TYR B 27 -6.105 -10.091 -0.420 1.00 0.32 C ATOM 461 O TYR B 27 -6.287 -10.500 -1.569 1.00 0.35 O ATOM 462 CB TYR B 27 -8.023 -8.527 -0.809 1.00 0.37 C ATOM 463 CG TYR B 27 -9.228 -7.779 -0.270 1.00 0.41 C ATOM 464 CD1 TYR B 27 -9.113 -6.868 0.773 1.00 0.43 C ATOM 465 CD2 TYR B 27 -10.484 -7.978 -0.827 1.00 0.49 C ATOM 466 CE1 TYR B 27 -10.214 -6.180 1.247 1.00 0.48 C ATOM 467 CE2 TYR B 27 -11.589 -7.297 -0.358 1.00 0.54 C ATOM 468 CZ TYR B 27 -11.451 -6.398 0.678 1.00 0.51 C ATOM 469 OH TYR B 27 -12.554 -5.716 1.146 1.00 0.57 O ATOM 0 H TYR B 27 -6.181 -7.305 0.468 1.00 0.34 H new ATOM 0 HA TYR B 27 -7.730 -9.749 0.942 1.00 0.34 H new ATOM 0 HB2 TYR B 27 -7.425 -7.838 -1.405 1.00 0.37 H new ATOM 0 HB3 TYR B 27 -8.373 -9.310 -1.482 1.00 0.37 H new ATOM 0 HD1 TYR B 27 -8.146 -6.694 1.221 1.00 0.43 H new ATOM 0 HD2 TYR B 27 -10.598 -8.678 -1.642 1.00 0.49 H new ATOM 0 HE1 TYR B 27 -10.106 -5.476 2.059 1.00 0.48 H new ATOM 0 HE2 TYR B 27 -12.559 -7.468 -0.801 1.00 0.54 H new ATOM 0 HH TYR B 27 -13.346 -5.985 0.636 1.00 0.57 H new ATOM 479 N LEU B 28 -5.029 -10.404 0.296 1.00 0.32 N ATOM 480 CA LEU B 28 -3.976 -11.264 -0.227 1.00 0.33 C ATOM 481 C LEU B 28 -4.478 -12.689 -0.474 1.00 0.32 C ATOM 482 O LEU B 28 -5.290 -13.215 0.287 1.00 0.30 O ATOM 483 CB LEU B 28 -2.774 -11.291 0.731 1.00 0.37 C ATOM 484 CG LEU B 28 -2.931 -12.141 2.002 1.00 0.39 C ATOM 485 CD1 LEU B 28 -1.610 -12.215 2.744 1.00 0.46 C ATOM 486 CD2 LEU B 28 -4.009 -11.583 2.922 1.00 0.39 C ATOM 0 H LEU B 28 -4.864 -10.072 1.246 1.00 0.32 H new ATOM 0 HA LEU B 28 -3.663 -10.847 -1.184 1.00 0.33 H new ATOM 0 HB2 LEU B 28 -1.907 -11.656 0.181 1.00 0.37 H new ATOM 0 HB3 LEU B 28 -2.553 -10.267 1.030 1.00 0.37 H new ATOM 0 HG LEU B 28 -3.236 -13.142 1.696 1.00 0.39 H new ATOM 0 HD11 LEU B 28 -1.731 -12.819 3.643 1.00 0.46 H new ATOM 0 HD12 LEU B 28 -0.856 -12.669 2.101 1.00 0.46 H new ATOM 0 HD13 LEU B 28 -1.292 -11.210 3.022 1.00 0.46 H new ATOM 0 HD21 LEU B 28 -4.091 -12.211 3.809 1.00 0.39 H new ATOM 0 HD22 LEU B 28 -3.745 -10.568 3.218 1.00 0.39 H new ATOM 0 HD23 LEU B 28 -4.964 -11.571 2.397 1.00 0.39 H new ATOM 498 N PRO B 29 -3.995 -13.334 -1.545 1.00 0.38 N ATOM 499 CA PRO B 29 -4.390 -14.704 -1.883 1.00 0.43 C ATOM 500 C PRO B 29 -3.737 -15.743 -0.964 1.00 0.40 C ATOM 501 O PRO B 29 -3.664 -15.560 0.252 1.00 0.34 O ATOM 502 CB PRO B 29 -3.889 -14.858 -3.321 1.00 0.56 C ATOM 503 CG PRO B 29 -2.721 -13.938 -3.417 1.00 0.57 C ATOM 504 CD PRO B 29 -3.025 -12.778 -2.507 1.00 0.46 C ATOM 0 HA PRO B 29 -5.461 -14.868 -1.768 1.00 0.43 H new ATOM 0 HB2 PRO B 29 -3.600 -15.888 -3.531 1.00 0.56 H new ATOM 0 HB3 PRO B 29 -4.663 -14.591 -4.040 1.00 0.56 H new ATOM 0 HG2 PRO B 29 -1.803 -14.441 -3.113 1.00 0.57 H new ATOM 0 HG3 PRO B 29 -2.575 -13.600 -4.443 1.00 0.57 H new ATOM 0 HD2 PRO B 29 -2.127 -12.416 -2.006 1.00 0.46 H new ATOM 0 HD3 PRO B 29 -3.445 -11.936 -3.058 1.00 0.46 H new ATOM 512 N SER B 30 -3.265 -16.831 -1.566 1.00 0.49 N ATOM 513 CA SER B 30 -2.600 -17.936 -0.848 1.00 0.52 C ATOM 514 C SER B 30 -3.460 -18.509 0.286 1.00 0.48 C ATOM 515 O SER B 30 -2.934 -18.950 1.307 1.00 0.50 O ATOM 516 CB SER B 30 -1.221 -17.507 -0.307 1.00 0.54 C ATOM 517 OG SER B 30 -1.320 -16.477 0.667 1.00 0.47 O ATOM 0 H SER B 30 -3.329 -16.980 -2.573 1.00 0.49 H new ATOM 0 HA SER B 30 -2.458 -18.730 -1.581 1.00 0.52 H new ATOM 0 HB2 SER B 30 -0.720 -18.371 0.130 1.00 0.54 H new ATOM 0 HB3 SER B 30 -0.600 -17.163 -1.134 1.00 0.54 H new ATOM 0 HG SER B 30 -2.263 -16.320 0.882 1.00 0.47 H new ATOM 523 N ASP B 31 -4.780 -18.526 0.073 1.00 0.47 N ATOM 524 CA ASP B 31 -5.736 -19.069 1.044 1.00 0.47 C ATOM 525 C ASP B 31 -5.539 -18.489 2.454 1.00 0.41 C ATOM 526 O ASP B 31 -5.282 -19.223 3.411 1.00 0.47 O ATOM 527 CB ASP B 31 -5.647 -20.597 1.073 1.00 0.57 C ATOM 528 CG ASP B 31 -6.064 -21.221 -0.245 1.00 0.66 C ATOM 529 OD1 ASP B 31 -5.404 -20.949 -1.271 1.00 0.72 O ATOM 530 OD2 ASP B 31 -7.058 -21.975 -0.255 1.00 0.74 O ATOM 0 H ASP B 31 -5.215 -18.164 -0.776 1.00 0.47 H new ATOM 0 HA ASP B 31 -6.732 -18.771 0.718 1.00 0.47 H new ATOM 0 HB2 ASP B 31 -4.625 -20.895 1.307 1.00 0.57 H new ATOM 0 HB3 ASP B 31 -6.282 -20.981 1.872 1.00 0.57 H new ATOM 535 N CYS B 32 -5.664 -17.166 2.571 1.00 0.37 N ATOM 536 CA CYS B 32 -5.502 -16.469 3.854 1.00 0.38 C ATOM 537 C CYS B 32 -6.677 -16.718 4.816 1.00 0.39 C ATOM 538 O CYS B 32 -7.263 -15.777 5.354 1.00 0.48 O ATOM 539 CB CYS B 32 -5.345 -14.967 3.607 1.00 0.44 C ATOM 540 SG CYS B 32 -6.654 -14.248 2.585 1.00 0.48 S ATOM 0 H CYS B 32 -5.879 -16.549 1.788 1.00 0.37 H new ATOM 0 HA CYS B 32 -4.607 -16.870 4.329 1.00 0.38 H new ATOM 0 HB2 CYS B 32 -5.324 -14.452 4.567 1.00 0.44 H new ATOM 0 HB3 CYS B 32 -4.383 -14.787 3.127 1.00 0.44 H new ATOM 0 HG CYS B 32 -6.123 -13.511 1.655 1.00 0.48 H new ATOM 546 N GLY B 33 -7.012 -17.983 5.034 1.00 0.39 N ATOM 547 CA GLY B 33 -8.104 -18.324 5.931 1.00 0.45 C ATOM 548 C GLY B 33 -7.727 -18.194 7.400 1.00 0.52 C ATOM 549 O GLY B 33 -6.701 -18.716 7.835 1.00 0.66 O ATOM 0 H GLY B 33 -6.547 -18.783 4.605 1.00 0.39 H new ATOM 0 HA2 GLY B 33 -8.955 -17.677 5.721 1.00 0.45 H new ATOM 0 HA3 GLY B 33 -8.425 -19.347 5.733 1.00 0.45 H new ATOM 553 N GLU B 34 -8.563 -17.499 8.165 1.00 0.61 N ATOM 554 CA GLU B 34 -8.317 -17.305 9.594 1.00 0.74 C ATOM 555 C GLU B 34 -8.952 -18.434 10.422 1.00 0.80 C ATOM 556 O GLU B 34 -9.255 -19.508 9.899 1.00 0.98 O ATOM 557 CB GLU B 34 -8.871 -15.941 10.031 1.00 1.18 C ATOM 558 CG GLU B 34 -7.812 -14.978 10.559 1.00 1.55 C ATOM 559 CD GLU B 34 -7.494 -15.194 12.029 1.00 1.46 C ATOM 560 OE1 GLU B 34 -8.186 -16.006 12.679 1.00 1.17 O ATOM 561 OE2 GLU B 34 -6.565 -14.543 12.547 1.00 1.86 O ATOM 0 H GLU B 34 -9.417 -17.060 7.821 1.00 0.61 H new ATOM 0 HA GLU B 34 -7.241 -17.329 9.769 1.00 0.74 H new ATOM 0 HB2 GLU B 34 -9.377 -15.478 9.184 1.00 1.18 H new ATOM 0 HB3 GLU B 34 -9.623 -16.097 10.805 1.00 1.18 H new ATOM 0 HG2 GLU B 34 -6.899 -15.094 9.975 1.00 1.55 H new ATOM 0 HG3 GLU B 34 -8.155 -13.954 10.414 1.00 1.55 H new ATOM 568 N LYS B 35 -9.153 -18.181 11.711 1.00 0.98 N ATOM 569 CA LYS B 35 -9.755 -19.166 12.613 1.00 1.37 C ATOM 570 C LYS B 35 -11.279 -19.215 12.454 1.00 1.74 C ATOM 571 O LYS B 35 -11.918 -18.142 12.522 1.00 1.84 O ATOM 572 CB LYS B 35 -9.393 -18.841 14.065 1.00 1.44 C ATOM 573 CG LYS B 35 -7.897 -18.874 14.343 1.00 1.46 C ATOM 574 CD LYS B 35 -7.572 -18.391 15.751 1.00 1.61 C ATOM 575 CE LYS B 35 -7.918 -16.920 15.938 1.00 1.48 C ATOM 576 NZ LYS B 35 -7.141 -16.043 15.019 1.00 1.50 N ATOM 577 OXT LYS B 35 -11.821 -20.327 12.270 1.00 2.13 O ATOM 0 H LYS B 35 -8.908 -17.298 12.160 1.00 0.98 H new ATOM 0 HA LYS B 35 -9.356 -20.146 12.350 1.00 1.37 H new ATOM 0 HB2 LYS B 35 -9.778 -17.852 14.314 1.00 1.44 H new ATOM 0 HB3 LYS B 35 -9.892 -19.553 14.723 1.00 1.44 H new ATOM 0 HG2 LYS B 35 -7.525 -19.890 14.213 1.00 1.46 H new ATOM 0 HG3 LYS B 35 -7.378 -18.249 13.616 1.00 1.46 H new ATOM 0 HD2 LYS B 35 -8.123 -18.989 16.477 1.00 1.61 H new ATOM 0 HD3 LYS B 35 -6.512 -18.543 15.952 1.00 1.61 H new ATOM 0 HE2 LYS B 35 -8.984 -16.773 15.764 1.00 1.48 H new ATOM 0 HE3 LYS B 35 -7.720 -16.629 16.970 1.00 1.48 H new ATOM 0 HZ1 LYS B 35 -7.291 -15.047 15.280 1.00 1.50 H new ATOM 0 HZ2 LYS B 35 -6.129 -16.272 15.093 1.00 1.50 H new ATOM 0 HZ3 LYS B 35 -7.460 -16.196 14.041 1.00 1.50 H new TER 591 LYS B 35