USER MOD reduce.3.24.130724 H: found=0, std=0, add=611, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 608 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 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 145:sc= -1.25 (180deg=-1.72) USER MOD Single : A 2 ASN : amide:sc= -1.2 K(o=-1.2,f=-5.7!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 GLN : amide:sc= 0.839 K(o=0.84,f=-0.032) USER MOD Single : A 17 THR OG1 : rot 141:sc= 0.176 USER MOD Single : A 21 THR OG1 : rot -160:sc= -1.81! USER MOD Single : A 29 TYR OH : rot -121:sc= 0.915 USER MOD Single : A 34 SER OG : rot 55:sc= 0.0499 USER MOD Single : A 35 SER OG : rot 104:sc= 0.385 USER MOD Single : A 38 SER OG : rot 69:sc= -0.328 USER MOD Single : A 40 GLN : amide:sc= -0.802 X(o=-0.8,f=-0.67) USER MOD Single : A 42 MET CE :methyl -130:sc= -0.0194 (180deg=-0.944) USER MOD Single : A 56 ASN : amide:sc= -0.138 K(o=-0.14,f=-3.7!) USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 173:sc= 0.728 (180deg=0.65) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 146:sc= -1.73 (180deg=-2.72) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.312 -0.485 11.247 1.00 0.00 N ATOM 2 CA MET A 1 1.855 -0.402 9.869 1.00 0.00 C ATOM 3 C MET A 1 0.942 -1.099 8.861 1.00 0.00 C ATOM 4 O MET A 1 0.349 -0.432 8.022 1.00 0.00 O ATOM 5 CB MET A 1 3.280 -0.976 9.808 1.00 0.00 C ATOM 6 CG MET A 1 4.339 -0.003 10.306 1.00 0.00 C ATOM 7 SD MET A 1 5.920 -0.798 10.669 1.00 0.00 S ATOM 8 CE MET A 1 6.421 -1.327 9.035 1.00 0.00 C ATOM 0 H1 MET A 1 1.957 -0.002 11.904 1.00 0.00 H new ATOM 0 H2 MET A 1 0.378 -0.029 11.280 1.00 0.00 H new ATOM 0 H3 MET A 1 1.219 -1.483 11.524 1.00 0.00 H new ATOM 0 HA MET A 1 1.899 0.652 9.596 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.324 -1.887 10.404 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.508 -1.257 8.780 1.00 0.00 H new ATOM 0 HG2 MET A 1 4.493 0.772 9.555 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.974 0.493 11.205 1.00 0.00 H new ATOM 0 HE1 MET A 1 7.504 -1.250 8.944 1.00 0.00 H new ATOM 0 HE2 MET A 1 6.117 -2.362 8.878 1.00 0.00 H new ATOM 0 HE3 MET A 1 5.948 -0.692 8.286 1.00 0.00 H new ATOM 17 N ASN A 2 0.813 -2.427 8.945 1.00 0.00 N ATOM 18 CA ASN A 2 0.037 -3.192 7.951 1.00 0.00 C ATOM 19 C ASN A 2 -1.365 -2.608 7.768 1.00 0.00 C ATOM 20 O ASN A 2 -1.756 -2.237 6.656 1.00 0.00 O ATOM 21 CB ASN A 2 -0.069 -4.673 8.348 1.00 0.00 C ATOM 22 CG ASN A 2 -0.912 -5.480 7.365 1.00 0.00 C ATOM 23 OD1 ASN A 2 -0.399 -6.032 6.394 1.00 0.00 O ATOM 24 ND2 ASN A 2 -2.212 -5.551 7.615 1.00 0.00 N ATOM 0 H ASN A 2 1.230 -2.995 9.683 1.00 0.00 H new ATOM 0 HA ASN A 2 0.572 -3.118 7.004 1.00 0.00 H new ATOM 0 HB2 ASN A 2 0.931 -5.104 8.404 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -0.505 -4.749 9.344 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -2.823 -6.078 6.991 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -2.601 -5.079 8.431 1.00 0.00 H new ATOM 31 N ALA A 3 -2.109 -2.507 8.867 1.00 0.00 N ATOM 32 CA ALA A 3 -3.464 -1.965 8.830 1.00 0.00 C ATOM 33 C ALA A 3 -3.442 -0.515 8.356 1.00 0.00 C ATOM 34 O ALA A 3 -4.286 -0.094 7.565 1.00 0.00 O ATOM 35 CB ALA A 3 -4.125 -2.078 10.200 1.00 0.00 C ATOM 0 H ALA A 3 -1.796 -2.794 9.794 1.00 0.00 H new ATOM 0 HA ALA A 3 -4.052 -2.549 8.122 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -5.134 -1.669 10.152 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -4.172 -3.126 10.496 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -3.542 -1.520 10.933 1.00 0.00 H new ATOM 41 N THR A 4 -2.451 0.228 8.838 1.00 0.00 N ATOM 42 CA THR A 4 -2.234 1.616 8.442 1.00 0.00 C ATOM 43 C THR A 4 -2.099 1.736 6.917 1.00 0.00 C ATOM 44 O THR A 4 -2.662 2.641 6.295 1.00 0.00 O ATOM 45 CB THR A 4 -0.954 2.155 9.125 1.00 0.00 C ATOM 46 OG1 THR A 4 -1.049 1.973 10.545 1.00 0.00 O ATOM 47 CG2 THR A 4 -0.717 3.628 8.816 1.00 0.00 C ATOM 0 H THR A 4 -1.773 -0.117 9.517 1.00 0.00 H new ATOM 0 HA THR A 4 -3.095 2.205 8.757 1.00 0.00 H new ATOM 0 HB THR A 4 -0.109 1.592 8.729 1.00 0.00 H new ATOM 0 HG1 THR A 4 -0.236 2.314 10.974 1.00 0.00 H new ATOM 0 HG21 THR A 4 0.192 3.963 9.316 1.00 0.00 H new ATOM 0 HG22 THR A 4 -0.609 3.761 7.740 1.00 0.00 H new ATOM 0 HG23 THR A 4 -1.564 4.215 9.171 1.00 0.00 H new ATOM 55 N ILE A 5 -1.371 0.794 6.329 1.00 0.00 N ATOM 56 CA ILE A 5 -1.100 0.792 4.896 1.00 0.00 C ATOM 57 C ILE A 5 -2.378 0.547 4.096 1.00 0.00 C ATOM 58 O ILE A 5 -2.744 1.355 3.248 1.00 0.00 O ATOM 59 CB ILE A 5 -0.027 -0.273 4.538 1.00 0.00 C ATOM 60 CG1 ILE A 5 1.302 0.065 5.244 1.00 0.00 C ATOM 61 CG2 ILE A 5 0.168 -0.367 3.021 1.00 0.00 C ATOM 62 CD1 ILE A 5 2.295 -1.080 5.292 1.00 0.00 C ATOM 0 H ILE A 5 -0.952 0.011 6.831 1.00 0.00 H new ATOM 0 HA ILE A 5 -0.713 1.776 4.630 1.00 0.00 H new ATOM 0 HB ILE A 5 -0.371 -1.247 4.886 1.00 0.00 H new ATOM 0 HG12 ILE A 5 1.765 0.910 4.735 1.00 0.00 H new ATOM 0 HG13 ILE A 5 1.087 0.386 6.263 1.00 0.00 H new ATOM 0 HG21 ILE A 5 0.924 -1.119 2.797 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -0.774 -0.648 2.550 1.00 0.00 H new ATOM 0 HG23 ILE A 5 0.493 0.599 2.635 1.00 0.00 H new ATOM 0 HD11 ILE A 5 3.200 -0.755 5.805 1.00 0.00 H new ATOM 0 HD12 ILE A 5 1.855 -1.921 5.829 1.00 0.00 H new ATOM 0 HD13 ILE A 5 2.544 -1.388 4.277 1.00 0.00 H new ATOM 74 N ARG A 6 -3.075 -0.552 4.380 1.00 0.00 N ATOM 75 CA ARG A 6 -4.311 -0.865 3.659 1.00 0.00 C ATOM 76 C ARG A 6 -5.384 0.188 3.938 1.00 0.00 C ATOM 77 O ARG A 6 -6.306 0.376 3.144 1.00 0.00 O ATOM 78 CB ARG A 6 -4.805 -2.293 3.971 1.00 0.00 C ATOM 79 CG ARG A 6 -5.011 -2.628 5.450 1.00 0.00 C ATOM 80 CD ARG A 6 -6.328 -2.090 6.005 1.00 0.00 C ATOM 81 NE ARG A 6 -6.628 -2.657 7.320 1.00 0.00 N ATOM 82 CZ ARG A 6 -7.219 -1.996 8.316 1.00 0.00 C ATOM 83 NH1 ARG A 6 -7.578 -0.727 8.162 1.00 0.00 N ATOM 84 NH2 ARG A 6 -7.450 -2.608 9.467 1.00 0.00 N ATOM 0 H ARG A 6 -2.812 -1.232 5.093 1.00 0.00 H new ATOM 0 HA ARG A 6 -4.094 -0.837 2.591 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -5.749 -2.451 3.449 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -4.089 -3.002 3.556 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -4.983 -3.710 5.579 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -4.184 -2.217 6.029 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -6.276 -1.004 6.079 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -7.138 -2.324 5.314 1.00 0.00 H new ATOM 0 HE ARG A 6 -6.366 -3.629 7.487 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -7.402 -0.251 7.277 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -8.030 -0.228 8.929 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -7.176 -3.583 9.590 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -7.902 -2.105 10.230 1.00 0.00 H new ATOM 98 N GLU A 7 -5.245 0.879 5.067 1.00 0.00 N ATOM 99 CA GLU A 7 -6.163 1.951 5.440 1.00 0.00 C ATOM 100 C GLU A 7 -5.937 3.191 4.574 1.00 0.00 C ATOM 101 O GLU A 7 -6.897 3.822 4.124 1.00 0.00 O ATOM 102 CB GLU A 7 -5.989 2.304 6.925 1.00 0.00 C ATOM 103 CG GLU A 7 -6.815 3.503 7.388 1.00 0.00 C ATOM 104 CD GLU A 7 -6.652 3.787 8.873 1.00 0.00 C ATOM 105 OE1 GLU A 7 -5.604 4.335 9.268 1.00 0.00 O ATOM 106 OE2 GLU A 7 -7.574 3.461 9.657 1.00 0.00 O ATOM 0 H GLU A 7 -4.500 0.713 5.743 1.00 0.00 H new ATOM 0 HA GLU A 7 -7.182 1.600 5.274 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -6.261 1.437 7.527 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -4.936 2.508 7.117 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -6.520 4.384 6.819 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -7.867 3.321 7.170 1.00 0.00 H new ATOM 113 N ILE A 8 -4.668 3.534 4.324 1.00 0.00 N ATOM 114 CA ILE A 8 -4.350 4.761 3.599 1.00 0.00 C ATOM 115 C ILE A 8 -4.967 4.752 2.197 1.00 0.00 C ATOM 116 O ILE A 8 -5.314 5.802 1.658 1.00 0.00 O ATOM 117 CB ILE A 8 -2.827 5.048 3.507 1.00 0.00 C ATOM 118 CG1 ILE A 8 -2.613 6.541 3.217 1.00 0.00 C ATOM 119 CG2 ILE A 8 -2.164 4.189 2.433 1.00 0.00 C ATOM 120 CD1 ILE A 8 -1.168 6.968 3.199 1.00 0.00 C ATOM 0 H ILE A 8 -3.857 2.985 4.610 1.00 0.00 H new ATOM 0 HA ILE A 8 -4.790 5.569 4.183 1.00 0.00 H new ATOM 0 HB ILE A 8 -2.362 4.791 4.459 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -3.062 6.780 2.253 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -3.143 7.125 3.969 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -1.098 4.414 2.394 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -2.304 3.135 2.673 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -2.616 4.404 1.465 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -1.107 8.035 2.987 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -0.716 6.764 4.170 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -0.634 6.414 2.427 1.00 0.00 H new ATOM 132 N LEU A 9 -5.097 3.563 1.608 1.00 0.00 N ATOM 133 CA LEU A 9 -5.718 3.410 0.288 1.00 0.00 C ATOM 134 C LEU A 9 -7.088 4.097 0.230 1.00 0.00 C ATOM 135 O LEU A 9 -7.507 4.576 -0.822 1.00 0.00 O ATOM 136 CB LEU A 9 -5.865 1.920 -0.080 1.00 0.00 C ATOM 137 CG LEU A 9 -4.615 1.251 -0.684 1.00 0.00 C ATOM 138 CD1 LEU A 9 -4.245 1.906 -2.012 1.00 0.00 C ATOM 139 CD2 LEU A 9 -3.439 1.298 0.287 1.00 0.00 C ATOM 0 H LEU A 9 -4.780 2.688 2.024 1.00 0.00 H new ATOM 0 HA LEU A 9 -5.061 3.891 -0.437 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -6.150 1.370 0.817 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -6.686 1.820 -0.790 1.00 0.00 H new ATOM 0 HG LEU A 9 -4.852 0.203 -0.869 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -3.360 1.420 -2.423 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -5.074 1.803 -2.712 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -4.036 2.964 -1.850 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -2.572 0.818 -0.168 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -3.200 2.336 0.518 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -3.704 0.773 1.205 1.00 0.00 H new ATOM 151 N ALA A 10 -7.771 4.148 1.368 1.00 0.00 N ATOM 152 CA ALA A 10 -9.107 4.733 1.445 1.00 0.00 C ATOM 153 C ALA A 10 -9.065 6.265 1.456 1.00 0.00 C ATOM 154 O ALA A 10 -9.983 6.925 0.965 1.00 0.00 O ATOM 155 CB ALA A 10 -9.825 4.211 2.686 1.00 0.00 C ATOM 0 H ALA A 10 -7.420 3.789 2.256 1.00 0.00 H new ATOM 0 HA ALA A 10 -9.656 4.434 0.552 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -10.822 4.649 2.741 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -9.908 3.126 2.629 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -9.259 4.485 3.576 1.00 0.00 H new ATOM 161 N LYS A 11 -7.993 6.825 2.008 1.00 0.00 N ATOM 162 CA LYS A 11 -7.920 8.267 2.272 1.00 0.00 C ATOM 163 C LYS A 11 -6.907 8.982 1.364 1.00 0.00 C ATOM 164 O LYS A 11 -6.924 10.210 1.253 1.00 0.00 O ATOM 165 CB LYS A 11 -7.582 8.486 3.754 1.00 0.00 C ATOM 166 CG LYS A 11 -6.342 7.723 4.220 1.00 0.00 C ATOM 167 CD LYS A 11 -6.245 7.649 5.742 1.00 0.00 C ATOM 168 CE LYS A 11 -6.113 9.025 6.380 1.00 0.00 C ATOM 169 NZ LYS A 11 -6.053 8.937 7.861 1.00 0.00 N ATOM 0 H LYS A 11 -7.159 6.305 2.283 1.00 0.00 H new ATOM 0 HA LYS A 11 -8.892 8.706 2.044 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -7.430 9.551 3.929 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -8.435 8.182 4.361 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -6.364 6.713 3.810 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -5.450 8.208 3.824 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -7.131 7.151 6.137 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -5.386 7.038 6.020 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -5.213 9.515 6.007 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -6.959 9.646 6.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -5.963 9.892 8.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -6.923 8.492 8.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -5.231 8.365 8.142 1.00 0.00 H new ATOM 183 N PHE A 12 -6.024 8.219 0.731 1.00 0.00 N ATOM 184 CA PHE A 12 -5.050 8.771 -0.218 1.00 0.00 C ATOM 185 C PHE A 12 -5.093 8.016 -1.542 1.00 0.00 C ATOM 186 O PHE A 12 -4.902 8.604 -2.607 1.00 0.00 O ATOM 187 CB PHE A 12 -3.624 8.736 0.357 1.00 0.00 C ATOM 188 CG PHE A 12 -3.301 9.900 1.265 1.00 0.00 C ATOM 189 CD1 PHE A 12 -3.599 9.853 2.618 1.00 0.00 C ATOM 190 CD2 PHE A 12 -2.697 11.044 0.758 1.00 0.00 C ATOM 191 CE1 PHE A 12 -3.304 10.920 3.446 1.00 0.00 C ATOM 192 CE2 PHE A 12 -2.401 12.113 1.581 1.00 0.00 C ATOM 193 CZ PHE A 12 -2.704 12.051 2.927 1.00 0.00 C ATOM 0 H PHE A 12 -5.958 7.209 0.855 1.00 0.00 H new ATOM 0 HA PHE A 12 -5.324 9.811 -0.395 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -3.489 7.807 0.911 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -2.911 8.722 -0.467 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -4.068 8.972 3.030 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -2.456 11.098 -0.293 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -3.542 10.869 4.498 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -1.933 12.996 1.172 1.00 0.00 H new ATOM 0 HZ PHE A 12 -2.472 12.885 3.573 1.00 0.00 H new ATOM 203 N GLY A 13 -5.336 6.710 -1.468 1.00 0.00 N ATOM 204 CA GLY A 13 -5.373 5.886 -2.665 1.00 0.00 C ATOM 205 C GLY A 13 -6.388 6.384 -3.677 1.00 0.00 C ATOM 206 O GLY A 13 -7.562 6.567 -3.350 1.00 0.00 O ATOM 0 H GLY A 13 -5.508 6.206 -0.598 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -4.384 5.871 -3.123 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -5.612 4.859 -2.389 1.00 0.00 H new ATOM 210 N GLN A 14 -5.935 6.603 -4.909 1.00 0.00 N ATOM 211 CA GLN A 14 -6.801 7.087 -5.988 1.00 0.00 C ATOM 212 C GLN A 14 -7.543 5.917 -6.646 1.00 0.00 C ATOM 213 O GLN A 14 -7.800 5.925 -7.852 1.00 0.00 O ATOM 214 CB GLN A 14 -5.959 7.837 -7.035 1.00 0.00 C ATOM 215 CG GLN A 14 -5.161 9.009 -6.472 1.00 0.00 C ATOM 216 CD GLN A 14 -6.045 10.095 -5.880 1.00 0.00 C ATOM 217 OE1 GLN A 14 -6.469 11.012 -6.582 1.00 0.00 O ATOM 218 NE2 GLN A 14 -6.319 10.003 -4.590 1.00 0.00 N ATOM 0 H GLN A 14 -4.966 6.452 -5.189 1.00 0.00 H new ATOM 0 HA GLN A 14 -7.539 7.770 -5.567 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -5.270 7.134 -7.502 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -6.619 8.205 -7.820 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -4.480 8.643 -5.704 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -4.547 9.438 -7.264 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -5.947 9.226 -4.044 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -6.902 10.709 -4.141 1.00 0.00 H new ATOM 227 N LEU A 15 -7.895 4.924 -5.836 1.00 0.00 N ATOM 228 CA LEU A 15 -8.554 3.716 -6.321 1.00 0.00 C ATOM 229 C LEU A 15 -10.014 4.018 -6.686 1.00 0.00 C ATOM 230 O LEU A 15 -10.781 4.483 -5.840 1.00 0.00 O ATOM 231 CB LEU A 15 -8.478 2.622 -5.238 1.00 0.00 C ATOM 232 CG LEU A 15 -8.922 1.212 -5.666 1.00 0.00 C ATOM 233 CD1 LEU A 15 -8.031 0.673 -6.779 1.00 0.00 C ATOM 234 CD2 LEU A 15 -8.912 0.262 -4.470 1.00 0.00 C ATOM 0 H LEU A 15 -7.733 4.933 -4.829 1.00 0.00 H new ATOM 0 HA LEU A 15 -8.047 3.362 -7.219 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -7.450 2.564 -4.881 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -9.092 2.933 -4.393 1.00 0.00 H new ATOM 0 HG LEU A 15 -9.940 1.281 -6.049 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -8.366 -0.325 -7.063 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -8.088 1.335 -7.643 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -7.000 0.623 -6.428 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -9.229 -0.730 -4.791 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -7.904 0.206 -4.058 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -9.596 0.632 -3.706 1.00 0.00 H new ATOM 246 N PRO A 16 -10.424 3.752 -7.950 1.00 0.00 N ATOM 247 CA PRO A 16 -11.796 4.016 -8.415 1.00 0.00 C ATOM 248 C PRO A 16 -12.783 2.989 -7.864 1.00 0.00 C ATOM 249 O PRO A 16 -13.998 3.087 -8.063 1.00 0.00 O ATOM 250 CB PRO A 16 -11.684 3.891 -9.940 1.00 0.00 C ATOM 251 CG PRO A 16 -10.546 2.953 -10.167 1.00 0.00 C ATOM 252 CD PRO A 16 -9.589 3.154 -9.017 1.00 0.00 C ATOM 0 HA PRO A 16 -12.169 4.986 -8.085 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -12.607 3.505 -10.373 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -11.496 4.860 -10.403 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -10.895 1.921 -10.205 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -10.057 3.159 -11.119 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -9.148 2.210 -8.696 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -8.766 3.812 -9.294 1.00 0.00 H new ATOM 260 N THR A 17 -12.232 2.010 -7.173 1.00 0.00 N ATOM 261 CA THR A 17 -12.976 0.916 -6.594 1.00 0.00 C ATOM 262 C THR A 17 -12.838 0.963 -5.066 1.00 0.00 C ATOM 263 O THR A 17 -11.780 1.326 -4.557 1.00 0.00 O ATOM 264 CB THR A 17 -12.425 -0.407 -7.175 1.00 0.00 C ATOM 265 OG1 THR A 17 -12.925 -0.595 -8.507 1.00 0.00 O ATOM 266 CG2 THR A 17 -12.762 -1.612 -6.316 1.00 0.00 C ATOM 0 H THR A 17 -11.229 1.955 -6.996 1.00 0.00 H new ATOM 0 HA THR A 17 -14.036 0.990 -6.835 1.00 0.00 H new ATOM 0 HB THR A 17 -11.338 -0.326 -7.191 1.00 0.00 H new ATOM 0 HG1 THR A 17 -12.219 -0.974 -9.071 1.00 0.00 H new ATOM 0 HG21 THR A 17 -12.350 -2.512 -6.773 1.00 0.00 H new ATOM 0 HG22 THR A 17 -12.334 -1.481 -5.322 1.00 0.00 H new ATOM 0 HG23 THR A 17 -13.845 -1.710 -6.235 1.00 0.00 H new ATOM 274 N PRO A 18 -13.906 0.635 -4.315 1.00 0.00 N ATOM 275 CA PRO A 18 -13.876 0.703 -2.848 1.00 0.00 C ATOM 276 C PRO A 18 -12.852 -0.263 -2.245 1.00 0.00 C ATOM 277 O PRO A 18 -12.701 -1.396 -2.705 1.00 0.00 O ATOM 278 CB PRO A 18 -15.309 0.322 -2.430 1.00 0.00 C ATOM 279 CG PRO A 18 -15.881 -0.402 -3.604 1.00 0.00 C ATOM 280 CD PRO A 18 -15.212 0.175 -4.823 1.00 0.00 C ATOM 0 HA PRO A 18 -13.575 1.689 -2.492 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -15.305 -0.310 -1.542 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -15.897 1.207 -2.189 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -15.695 -1.473 -3.529 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -16.962 -0.269 -3.654 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -15.096 -0.572 -5.609 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -15.790 0.997 -5.247 1.00 0.00 H new ATOM 288 N VAL A 19 -12.164 0.187 -1.201 1.00 0.00 N ATOM 289 CA VAL A 19 -11.159 -0.629 -0.518 1.00 0.00 C ATOM 290 C VAL A 19 -11.838 -1.765 0.252 1.00 0.00 C ATOM 291 O VAL A 19 -11.193 -2.704 0.714 1.00 0.00 O ATOM 292 CB VAL A 19 -10.302 0.238 0.446 1.00 0.00 C ATOM 293 CG1 VAL A 19 -9.177 -0.578 1.086 1.00 0.00 C ATOM 294 CG2 VAL A 19 -9.737 1.453 -0.292 1.00 0.00 C ATOM 0 H VAL A 19 -12.283 1.119 -0.805 1.00 0.00 H new ATOM 0 HA VAL A 19 -10.496 -1.057 -1.270 1.00 0.00 H new ATOM 0 HB VAL A 19 -10.951 0.586 1.249 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -8.599 0.061 1.754 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -9.605 -1.404 1.654 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -8.525 -0.973 0.307 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -9.139 2.051 0.396 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -9.112 1.118 -1.119 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -10.557 2.057 -0.679 1.00 0.00 H new ATOM 304 N ASP A 20 -13.161 -1.685 0.336 1.00 0.00 N ATOM 305 CA ASP A 20 -13.971 -2.692 1.018 1.00 0.00 C ATOM 306 C ASP A 20 -14.147 -3.891 0.099 1.00 0.00 C ATOM 307 O ASP A 20 -14.490 -4.994 0.523 1.00 0.00 O ATOM 308 CB ASP A 20 -15.334 -2.086 1.393 1.00 0.00 C ATOM 309 CG ASP A 20 -16.331 -3.115 1.905 1.00 0.00 C ATOM 310 OD1 ASP A 20 -16.150 -3.620 3.032 1.00 0.00 O ATOM 311 OD2 ASP A 20 -17.309 -3.412 1.183 1.00 0.00 O ATOM 0 H ASP A 20 -13.704 -0.921 -0.066 1.00 0.00 H new ATOM 0 HA ASP A 20 -13.476 -3.018 1.933 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -15.186 -1.322 2.157 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -15.754 -1.587 0.520 1.00 0.00 H new ATOM 316 N THR A 21 -13.888 -3.639 -1.172 1.00 0.00 N ATOM 317 CA THR A 21 -13.977 -4.631 -2.219 1.00 0.00 C ATOM 318 C THR A 21 -12.707 -5.497 -2.269 1.00 0.00 C ATOM 319 O THR A 21 -12.732 -6.640 -2.740 1.00 0.00 O ATOM 320 CB THR A 21 -14.221 -3.898 -3.560 1.00 0.00 C ATOM 321 OG1 THR A 21 -15.610 -3.572 -3.694 1.00 0.00 O ATOM 322 CG2 THR A 21 -13.756 -4.692 -4.757 1.00 0.00 C ATOM 0 H THR A 21 -13.604 -2.719 -1.508 1.00 0.00 H new ATOM 0 HA THR A 21 -14.807 -5.310 -2.021 1.00 0.00 H new ATOM 0 HB THR A 21 -13.626 -2.985 -3.537 1.00 0.00 H new ATOM 0 HG1 THR A 21 -15.818 -3.408 -4.637 1.00 0.00 H new ATOM 0 HG21 THR A 21 -13.954 -4.127 -5.668 1.00 0.00 H new ATOM 0 HG22 THR A 21 -12.686 -4.883 -4.673 1.00 0.00 H new ATOM 0 HG23 THR A 21 -14.292 -5.640 -4.795 1.00 0.00 H new ATOM 330 N ILE A 22 -11.605 -4.955 -1.754 1.00 0.00 N ATOM 331 CA ILE A 22 -10.326 -5.667 -1.722 1.00 0.00 C ATOM 332 C ILE A 22 -9.978 -6.085 -0.291 1.00 0.00 C ATOM 333 O ILE A 22 -10.826 -6.020 0.604 1.00 0.00 O ATOM 334 CB ILE A 22 -9.181 -4.802 -2.319 1.00 0.00 C ATOM 335 CG1 ILE A 22 -9.105 -3.435 -1.614 1.00 0.00 C ATOM 336 CG2 ILE A 22 -9.376 -4.629 -3.824 1.00 0.00 C ATOM 337 CD1 ILE A 22 -8.040 -2.511 -2.173 1.00 0.00 C ATOM 0 H ILE A 22 -11.571 -4.019 -1.350 1.00 0.00 H new ATOM 0 HA ILE A 22 -10.431 -6.561 -2.336 1.00 0.00 H new ATOM 0 HB ILE A 22 -8.235 -5.318 -2.153 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -10.075 -2.943 -1.691 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -8.912 -3.595 -0.553 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -8.567 -4.021 -4.228 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -9.371 -5.607 -4.306 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -10.329 -4.136 -4.013 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -8.050 -1.570 -1.624 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -7.061 -2.980 -2.071 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -8.242 -2.318 -3.227 1.00 0.00 H new ATOM 349 N ALA A 23 -8.737 -6.525 -0.087 1.00 0.00 N ATOM 350 CA ALA A 23 -8.281 -6.998 1.216 1.00 0.00 C ATOM 351 C ALA A 23 -6.757 -7.025 1.266 1.00 0.00 C ATOM 352 O ALA A 23 -6.095 -6.846 0.242 1.00 0.00 O ATOM 353 CB ALA A 23 -8.852 -8.384 1.507 1.00 0.00 C ATOM 0 H ALA A 23 -8.025 -6.563 -0.816 1.00 0.00 H new ATOM 0 HA ALA A 23 -8.639 -6.310 1.982 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -8.503 -8.724 2.482 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -9.941 -8.336 1.508 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -8.520 -9.083 0.739 1.00 0.00 H new ATOM 359 N ASP A 24 -6.215 -7.271 2.456 1.00 0.00 N ATOM 360 CA ASP A 24 -4.763 -7.313 2.677 1.00 0.00 C ATOM 361 C ASP A 24 -4.097 -8.358 1.783 1.00 0.00 C ATOM 362 O ASP A 24 -2.920 -8.242 1.429 1.00 0.00 O ATOM 363 CB ASP A 24 -4.454 -7.646 4.148 1.00 0.00 C ATOM 364 CG ASP A 24 -5.177 -6.740 5.135 1.00 0.00 C ATOM 365 OD1 ASP A 24 -6.419 -6.854 5.247 1.00 0.00 O ATOM 366 OD2 ASP A 24 -4.510 -5.939 5.824 1.00 0.00 O ATOM 0 H ASP A 24 -6.765 -7.447 3.297 1.00 0.00 H new ATOM 0 HA ASP A 24 -4.366 -6.329 2.429 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -4.732 -8.681 4.345 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -3.379 -7.567 4.313 1.00 0.00 H new ATOM 371 N GLU A 25 -4.863 -9.391 1.439 1.00 0.00 N ATOM 372 CA GLU A 25 -4.358 -10.520 0.663 1.00 0.00 C ATOM 373 C GLU A 25 -4.829 -10.459 -0.791 1.00 0.00 C ATOM 374 O GLU A 25 -4.608 -11.396 -1.564 1.00 0.00 O ATOM 375 CB GLU A 25 -4.831 -11.830 1.309 1.00 0.00 C ATOM 376 CG GLU A 25 -4.572 -11.896 2.810 1.00 0.00 C ATOM 377 CD GLU A 25 -4.847 -13.266 3.394 1.00 0.00 C ATOM 378 OE1 GLU A 25 -3.955 -14.135 3.305 1.00 0.00 O ATOM 379 OE2 GLU A 25 -5.951 -13.479 3.936 1.00 0.00 O ATOM 0 H GLU A 25 -5.849 -9.468 1.690 1.00 0.00 H new ATOM 0 HA GLU A 25 -3.269 -10.475 0.661 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -5.899 -11.951 1.127 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -4.328 -12.667 0.824 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -3.535 -11.624 3.007 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -5.197 -11.159 3.315 1.00 0.00 H new ATOM 386 N ALA A 26 -5.467 -9.357 -1.166 1.00 0.00 N ATOM 387 CA ALA A 26 -6.034 -9.220 -2.506 1.00 0.00 C ATOM 388 C ALA A 26 -5.094 -8.447 -3.425 1.00 0.00 C ATOM 389 O ALA A 26 -4.454 -7.484 -3.000 1.00 0.00 O ATOM 390 CB ALA A 26 -7.393 -8.533 -2.439 1.00 0.00 C ATOM 0 H ALA A 26 -5.606 -8.545 -0.564 1.00 0.00 H new ATOM 0 HA ALA A 26 -6.164 -10.220 -2.921 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -7.803 -8.438 -3.445 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -8.071 -9.127 -1.826 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -7.279 -7.542 -1.999 1.00 0.00 H new ATOM 396 N ASP A 27 -5.014 -8.876 -4.682 1.00 0.00 N ATOM 397 CA ASP A 27 -4.216 -8.176 -5.685 1.00 0.00 C ATOM 398 C ASP A 27 -4.796 -6.783 -5.919 1.00 0.00 C ATOM 399 O ASP A 27 -5.727 -6.610 -6.706 1.00 0.00 O ATOM 400 CB ASP A 27 -4.166 -8.966 -7.005 1.00 0.00 C ATOM 401 CG ASP A 27 -3.477 -10.317 -6.861 1.00 0.00 C ATOM 402 OD1 ASP A 27 -2.239 -10.385 -7.028 1.00 0.00 O ATOM 403 OD2 ASP A 27 -4.172 -11.320 -6.587 1.00 0.00 O ATOM 0 H ASP A 27 -5.493 -9.706 -5.031 1.00 0.00 H new ATOM 0 HA ASP A 27 -3.195 -8.084 -5.315 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -5.182 -9.119 -7.370 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -3.643 -8.375 -7.757 1.00 0.00 H new ATOM 408 N LEU A 28 -4.248 -5.802 -5.208 1.00 0.00 N ATOM 409 CA LEU A 28 -4.766 -4.432 -5.216 1.00 0.00 C ATOM 410 C LEU A 28 -4.934 -3.892 -6.641 1.00 0.00 C ATOM 411 O LEU A 28 -5.939 -3.251 -6.960 1.00 0.00 O ATOM 412 CB LEU A 28 -3.832 -3.513 -4.417 1.00 0.00 C ATOM 413 CG LEU A 28 -3.475 -3.995 -2.998 1.00 0.00 C ATOM 414 CD1 LEU A 28 -2.534 -3.006 -2.313 1.00 0.00 C ATOM 415 CD2 LEU A 28 -4.734 -4.211 -2.159 1.00 0.00 C ATOM 0 H LEU A 28 -3.432 -5.931 -4.609 1.00 0.00 H new ATOM 0 HA LEU A 28 -5.751 -4.450 -4.750 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -2.908 -3.386 -4.981 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -4.297 -2.530 -4.341 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.961 -4.952 -3.087 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -2.294 -3.365 -1.312 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.617 -2.914 -2.895 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -3.018 -2.032 -2.243 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -4.453 -4.551 -1.162 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -5.284 -3.273 -2.081 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -5.364 -4.963 -2.635 1.00 0.00 H new ATOM 427 N TYR A 29 -3.948 -4.157 -7.495 1.00 0.00 N ATOM 428 CA TYR A 29 -3.964 -3.661 -8.873 1.00 0.00 C ATOM 429 C TYR A 29 -5.156 -4.218 -9.657 1.00 0.00 C ATOM 430 O TYR A 29 -5.645 -3.580 -10.590 1.00 0.00 O ATOM 431 CB TYR A 29 -2.642 -3.992 -9.589 1.00 0.00 C ATOM 432 CG TYR A 29 -2.276 -5.468 -9.584 1.00 0.00 C ATOM 433 CD1 TYR A 29 -2.741 -6.330 -10.574 1.00 0.00 C ATOM 434 CD2 TYR A 29 -1.463 -5.999 -8.586 1.00 0.00 C ATOM 435 CE1 TYR A 29 -2.407 -7.670 -10.568 1.00 0.00 C ATOM 436 CE2 TYR A 29 -1.126 -7.337 -8.577 1.00 0.00 C ATOM 437 CZ TYR A 29 -1.601 -8.169 -9.567 1.00 0.00 C ATOM 438 OH TYR A 29 -1.273 -9.509 -9.552 1.00 0.00 O ATOM 0 H TYR A 29 -3.126 -4.713 -7.259 1.00 0.00 H new ATOM 0 HA TYR A 29 -4.072 -2.577 -8.830 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -2.707 -3.650 -10.622 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -1.837 -3.429 -9.117 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -3.374 -5.944 -11.360 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -1.090 -5.352 -7.806 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -2.776 -8.324 -11.344 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -0.492 -7.731 -7.796 1.00 0.00 H new ATOM 0 HH TYR A 29 -1.583 -9.912 -8.714 1.00 0.00 H new ATOM 448 N ALA A 30 -5.636 -5.396 -9.255 1.00 0.00 N ATOM 449 CA ALA A 30 -6.754 -6.052 -9.935 1.00 0.00 C ATOM 450 C ALA A 30 -8.049 -5.259 -9.748 1.00 0.00 C ATOM 451 O ALA A 30 -8.965 -5.340 -10.567 1.00 0.00 O ATOM 452 CB ALA A 30 -6.923 -7.480 -9.426 1.00 0.00 C ATOM 0 H ALA A 30 -5.267 -5.917 -8.459 1.00 0.00 H new ATOM 0 HA ALA A 30 -6.530 -6.087 -11.001 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -7.758 -7.954 -9.942 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -6.011 -8.045 -9.618 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -7.121 -7.463 -8.354 1.00 0.00 H new ATOM 458 N ALA A 31 -8.113 -4.492 -8.659 1.00 0.00 N ATOM 459 CA ALA A 31 -9.262 -3.633 -8.388 1.00 0.00 C ATOM 460 C ALA A 31 -9.214 -2.390 -9.270 1.00 0.00 C ATOM 461 O ALA A 31 -10.234 -1.746 -9.516 1.00 0.00 O ATOM 462 CB ALA A 31 -9.293 -3.234 -6.919 1.00 0.00 C ATOM 0 H ALA A 31 -7.381 -4.449 -7.950 1.00 0.00 H new ATOM 0 HA ALA A 31 -10.171 -4.190 -8.617 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -10.156 -2.594 -6.734 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -9.366 -4.129 -6.300 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -8.380 -2.694 -6.669 1.00 0.00 H new ATOM 468 N GLY A 32 -8.017 -2.065 -9.746 1.00 0.00 N ATOM 469 CA GLY A 32 -7.832 -0.901 -10.597 1.00 0.00 C ATOM 470 C GLY A 32 -6.798 0.057 -10.045 1.00 0.00 C ATOM 471 O GLY A 32 -6.724 1.214 -10.468 1.00 0.00 O ATOM 0 H GLY A 32 -7.164 -2.591 -9.556 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -7.528 -1.226 -11.592 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -8.783 -0.380 -10.708 1.00 0.00 H new ATOM 475 N LEU A 33 -6.002 -0.421 -9.088 1.00 0.00 N ATOM 476 CA LEU A 33 -4.950 0.393 -8.489 1.00 0.00 C ATOM 477 C LEU A 33 -3.901 0.740 -9.545 1.00 0.00 C ATOM 478 O LEU A 33 -3.117 -0.115 -9.964 1.00 0.00 O ATOM 479 CB LEU A 33 -4.302 -0.338 -7.303 1.00 0.00 C ATOM 480 CG LEU A 33 -3.328 0.509 -6.464 1.00 0.00 C ATOM 481 CD1 LEU A 33 -4.061 1.665 -5.783 1.00 0.00 C ATOM 482 CD2 LEU A 33 -2.603 -0.356 -5.434 1.00 0.00 C ATOM 0 H LEU A 33 -6.068 -1.367 -8.713 1.00 0.00 H new ATOM 0 HA LEU A 33 -5.392 1.315 -8.112 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -5.092 -0.708 -6.650 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -3.767 -1.209 -7.682 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.581 0.931 -7.137 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -3.353 2.249 -5.196 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.518 2.302 -6.540 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -4.836 1.268 -5.127 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.920 0.265 -4.853 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -3.332 -0.815 -4.767 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -2.038 -1.135 -5.946 1.00 0.00 H new ATOM 494 N SER A 34 -3.902 1.996 -9.968 1.00 0.00 N ATOM 495 CA SER A 34 -3.027 2.456 -11.037 1.00 0.00 C ATOM 496 C SER A 34 -1.737 3.042 -10.464 1.00 0.00 C ATOM 497 O SER A 34 -1.597 3.171 -9.245 1.00 0.00 O ATOM 498 CB SER A 34 -3.764 3.498 -11.883 1.00 0.00 C ATOM 499 OG SER A 34 -4.941 2.945 -12.457 1.00 0.00 O ATOM 0 H SER A 34 -4.506 2.722 -9.582 1.00 0.00 H new ATOM 0 HA SER A 34 -2.757 1.609 -11.667 1.00 0.00 H new ATOM 0 HB2 SER A 34 -4.025 4.356 -11.264 1.00 0.00 H new ATOM 0 HB3 SER A 34 -3.106 3.863 -12.672 1.00 0.00 H new ATOM 0 HG SER A 34 -5.504 2.567 -11.749 1.00 0.00 H new ATOM 505 N SER A 35 -0.809 3.395 -11.351 1.00 0.00 N ATOM 506 CA SER A 35 0.508 3.902 -10.965 1.00 0.00 C ATOM 507 C SER A 35 0.399 5.014 -9.916 1.00 0.00 C ATOM 508 O SER A 35 0.779 4.828 -8.756 1.00 0.00 O ATOM 509 CB SER A 35 1.231 4.414 -12.214 1.00 0.00 C ATOM 510 OG SER A 35 0.409 5.328 -12.924 1.00 0.00 O ATOM 0 H SER A 35 -0.948 3.338 -12.360 1.00 0.00 H new ATOM 0 HA SER A 35 1.077 3.089 -10.515 1.00 0.00 H new ATOM 0 HB2 SER A 35 2.163 4.901 -11.928 1.00 0.00 H new ATOM 0 HB3 SER A 35 1.494 3.575 -12.859 1.00 0.00 H new ATOM 0 HG SER A 35 0.724 6.242 -12.766 1.00 0.00 H new ATOM 516 N PHE A 36 -0.145 6.156 -10.327 1.00 0.00 N ATOM 517 CA PHE A 36 -0.279 7.318 -9.450 1.00 0.00 C ATOM 518 C PHE A 36 -1.096 6.978 -8.203 1.00 0.00 C ATOM 519 O PHE A 36 -0.824 7.485 -7.111 1.00 0.00 O ATOM 520 CB PHE A 36 -0.927 8.487 -10.206 1.00 0.00 C ATOM 521 CG PHE A 36 -0.120 8.957 -11.392 1.00 0.00 C ATOM 522 CD1 PHE A 36 0.880 9.906 -11.233 1.00 0.00 C ATOM 523 CD2 PHE A 36 -0.355 8.446 -12.662 1.00 0.00 C ATOM 524 CE1 PHE A 36 1.627 10.335 -12.313 1.00 0.00 C ATOM 525 CE2 PHE A 36 0.390 8.873 -13.745 1.00 0.00 C ATOM 526 CZ PHE A 36 1.382 9.818 -13.570 1.00 0.00 C ATOM 0 H PHE A 36 -0.504 6.303 -11.271 1.00 0.00 H new ATOM 0 HA PHE A 36 0.720 7.614 -9.130 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -1.917 8.185 -10.547 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -1.067 9.321 -9.518 1.00 0.00 H new ATOM 0 HD1 PHE A 36 1.077 10.314 -10.253 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -1.129 7.706 -12.805 1.00 0.00 H new ATOM 0 HE1 PHE A 36 2.402 11.074 -12.174 1.00 0.00 H new ATOM 0 HE2 PHE A 36 0.197 8.468 -14.727 1.00 0.00 H new ATOM 0 HZ PHE A 36 1.965 10.152 -14.415 1.00 0.00 H new ATOM 536 N ALA A 37 -2.090 6.107 -8.370 1.00 0.00 N ATOM 537 CA ALA A 37 -2.932 5.672 -7.259 1.00 0.00 C ATOM 538 C ALA A 37 -2.101 4.943 -6.205 1.00 0.00 C ATOM 539 O ALA A 37 -2.320 5.106 -5.003 1.00 0.00 O ATOM 540 CB ALA A 37 -4.060 4.776 -7.762 1.00 0.00 C ATOM 0 H ALA A 37 -2.332 5.688 -9.268 1.00 0.00 H new ATOM 0 HA ALA A 37 -3.372 6.556 -6.797 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -4.677 4.461 -6.921 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -4.672 5.328 -8.475 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -3.637 3.898 -8.250 1.00 0.00 H new ATOM 546 N SER A 38 -1.142 4.150 -6.672 1.00 0.00 N ATOM 547 CA SER A 38 -0.256 3.401 -5.791 1.00 0.00 C ATOM 548 C SER A 38 0.758 4.339 -5.139 1.00 0.00 C ATOM 549 O SER A 38 0.926 4.341 -3.921 1.00 0.00 O ATOM 550 CB SER A 38 0.468 2.306 -6.584 1.00 0.00 C ATOM 551 OG SER A 38 -0.459 1.475 -7.261 1.00 0.00 O ATOM 0 H SER A 38 -0.959 4.010 -7.665 1.00 0.00 H new ATOM 0 HA SER A 38 -0.851 2.934 -5.007 1.00 0.00 H new ATOM 0 HB2 SER A 38 1.147 2.762 -7.304 1.00 0.00 H new ATOM 0 HB3 SER A 38 1.076 1.704 -5.909 1.00 0.00 H new ATOM 0 HG SER A 38 -0.891 1.984 -7.979 1.00 0.00 H new ATOM 557 N VAL A 39 1.415 5.153 -5.961 1.00 0.00 N ATOM 558 CA VAL A 39 2.422 6.095 -5.478 1.00 0.00 C ATOM 559 C VAL A 39 1.830 7.017 -4.411 1.00 0.00 C ATOM 560 O VAL A 39 2.489 7.352 -3.424 1.00 0.00 O ATOM 561 CB VAL A 39 3.000 6.950 -6.637 1.00 0.00 C ATOM 562 CG1 VAL A 39 4.034 7.951 -6.119 1.00 0.00 C ATOM 563 CG2 VAL A 39 3.607 6.054 -7.717 1.00 0.00 C ATOM 0 H VAL A 39 1.267 5.179 -6.970 1.00 0.00 H new ATOM 0 HA VAL A 39 3.231 5.510 -5.041 1.00 0.00 H new ATOM 0 HB VAL A 39 2.180 7.515 -7.081 1.00 0.00 H new ATOM 0 HG11 VAL A 39 4.423 8.537 -6.952 1.00 0.00 H new ATOM 0 HG12 VAL A 39 3.565 8.617 -5.395 1.00 0.00 H new ATOM 0 HG13 VAL A 39 4.853 7.414 -5.640 1.00 0.00 H new ATOM 0 HG21 VAL A 39 4.007 6.673 -8.521 1.00 0.00 H new ATOM 0 HG22 VAL A 39 4.410 5.457 -7.285 1.00 0.00 H new ATOM 0 HG23 VAL A 39 2.838 5.393 -8.116 1.00 0.00 H new ATOM 573 N GLN A 40 0.567 7.385 -4.598 1.00 0.00 N ATOM 574 CA GLN A 40 -0.098 8.326 -3.705 1.00 0.00 C ATOM 575 C GLN A 40 -0.198 7.768 -2.287 1.00 0.00 C ATOM 576 O GLN A 40 -0.022 8.502 -1.309 1.00 0.00 O ATOM 577 CB GLN A 40 -1.497 8.669 -4.241 1.00 0.00 C ATOM 578 CG GLN A 40 -2.171 9.824 -3.510 1.00 0.00 C ATOM 579 CD GLN A 40 -1.391 11.123 -3.619 1.00 0.00 C ATOM 580 OE1 GLN A 40 -0.697 11.365 -4.609 1.00 0.00 O ATOM 581 NE2 GLN A 40 -1.491 11.964 -2.604 1.00 0.00 N ATOM 0 H GLN A 40 -0.017 7.045 -5.362 1.00 0.00 H new ATOM 0 HA GLN A 40 0.502 9.235 -3.667 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -1.419 8.917 -5.299 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -2.131 7.785 -4.167 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -3.172 9.971 -3.916 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -2.289 9.563 -2.458 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -2.076 11.728 -1.802 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -0.984 12.849 -2.623 1.00 0.00 H new ATOM 590 N LEU A 41 -0.464 6.469 -2.175 1.00 0.00 N ATOM 591 CA LEU A 41 -0.593 5.829 -0.868 1.00 0.00 C ATOM 592 C LEU A 41 0.764 5.830 -0.166 1.00 0.00 C ATOM 593 O LEU A 41 0.845 5.887 1.059 1.00 0.00 O ATOM 594 CB LEU A 41 -1.151 4.391 -1.013 1.00 0.00 C ATOM 595 CG LEU A 41 -0.124 3.273 -1.329 1.00 0.00 C ATOM 596 CD1 LEU A 41 0.438 2.656 -0.046 1.00 0.00 C ATOM 597 CD2 LEU A 41 -0.745 2.194 -2.214 1.00 0.00 C ATOM 0 H LEU A 41 -0.594 5.842 -2.969 1.00 0.00 H new ATOM 0 HA LEU A 41 -1.302 6.392 -0.260 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -1.664 4.130 -0.087 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.902 4.396 -1.803 1.00 0.00 H new ATOM 0 HG LEU A 41 0.702 3.730 -1.874 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.155 1.876 -0.301 1.00 0.00 H new ATOM 0 HD12 LEU A 41 0.935 3.428 0.541 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -0.376 2.225 0.537 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -0.004 1.422 -2.421 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -1.598 1.750 -1.702 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -1.077 2.639 -3.152 1.00 0.00 H new ATOM 609 N MET A 42 1.826 5.801 -0.965 1.00 0.00 N ATOM 610 CA MET A 42 3.188 5.743 -0.445 1.00 0.00 C ATOM 611 C MET A 42 3.573 7.083 0.171 1.00 0.00 C ATOM 612 O MET A 42 4.102 7.141 1.282 1.00 0.00 O ATOM 613 CB MET A 42 4.172 5.384 -1.567 1.00 0.00 C ATOM 614 CG MET A 42 3.706 4.230 -2.442 1.00 0.00 C ATOM 615 SD MET A 42 4.892 3.797 -3.729 1.00 0.00 S ATOM 616 CE MET A 42 4.003 2.504 -4.595 1.00 0.00 C ATOM 0 H MET A 42 1.768 5.817 -1.983 1.00 0.00 H new ATOM 0 HA MET A 42 3.233 4.972 0.324 1.00 0.00 H new ATOM 0 HB2 MET A 42 4.332 6.262 -2.193 1.00 0.00 H new ATOM 0 HB3 MET A 42 5.135 5.128 -1.126 1.00 0.00 H new ATOM 0 HG2 MET A 42 3.524 3.357 -1.815 1.00 0.00 H new ATOM 0 HG3 MET A 42 2.755 4.494 -2.906 1.00 0.00 H new ATOM 0 HE1 MET A 42 4.649 1.634 -4.713 1.00 0.00 H new ATOM 0 HE2 MET A 42 3.119 2.224 -4.023 1.00 0.00 H new ATOM 0 HE3 MET A 42 3.700 2.866 -5.577 1.00 0.00 H new ATOM 626 N LEU A 43 3.279 8.157 -0.562 1.00 0.00 N ATOM 627 CA LEU A 43 3.629 9.514 -0.143 1.00 0.00 C ATOM 628 C LEU A 43 3.091 9.807 1.257 1.00 0.00 C ATOM 629 O LEU A 43 3.802 10.340 2.113 1.00 0.00 O ATOM 630 CB LEU A 43 3.074 10.537 -1.146 1.00 0.00 C ATOM 631 CG LEU A 43 3.466 10.298 -2.616 1.00 0.00 C ATOM 632 CD1 LEU A 43 2.888 11.386 -3.517 1.00 0.00 C ATOM 633 CD2 LEU A 43 4.983 10.215 -2.770 1.00 0.00 C ATOM 0 H LEU A 43 2.794 8.112 -1.458 1.00 0.00 H new ATOM 0 HA LEU A 43 4.716 9.594 -0.117 1.00 0.00 H new ATOM 0 HB2 LEU A 43 1.986 10.539 -1.073 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.415 11.530 -0.853 1.00 0.00 H new ATOM 0 HG LEU A 43 3.043 9.342 -2.925 1.00 0.00 H new ATOM 0 HD11 LEU A 43 3.179 11.195 -4.550 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.801 11.383 -3.439 1.00 0.00 H new ATOM 0 HD13 LEU A 43 3.271 12.358 -3.206 1.00 0.00 H new ATOM 0 HD21 LEU A 43 5.234 10.046 -3.817 1.00 0.00 H new ATOM 0 HD22 LEU A 43 5.434 11.149 -2.435 1.00 0.00 H new ATOM 0 HD23 LEU A 43 5.365 9.391 -2.168 1.00 0.00 H new ATOM 645 N GLY A 44 1.832 9.444 1.484 1.00 0.00 N ATOM 646 CA GLY A 44 1.216 9.653 2.782 1.00 0.00 C ATOM 647 C GLY A 44 1.727 8.673 3.823 1.00 0.00 C ATOM 648 O GLY A 44 1.968 9.043 4.971 1.00 0.00 O ATOM 0 H GLY A 44 1.226 9.007 0.790 1.00 0.00 H new ATOM 0 HA2 GLY A 44 1.413 10.672 3.116 1.00 0.00 H new ATOM 0 HA3 GLY A 44 0.135 9.552 2.690 1.00 0.00 H new ATOM 652 N ILE A 45 1.901 7.419 3.414 1.00 0.00 N ATOM 653 CA ILE A 45 2.357 6.367 4.318 1.00 0.00 C ATOM 654 C ILE A 45 3.750 6.681 4.875 1.00 0.00 C ATOM 655 O ILE A 45 4.089 6.263 5.988 1.00 0.00 O ATOM 656 CB ILE A 45 2.316 4.969 3.619 1.00 0.00 C ATOM 657 CG1 ILE A 45 1.012 4.227 3.984 1.00 0.00 C ATOM 658 CG2 ILE A 45 3.542 4.114 3.946 1.00 0.00 C ATOM 659 CD1 ILE A 45 0.871 3.914 5.461 1.00 0.00 C ATOM 0 H ILE A 45 1.732 7.106 2.458 1.00 0.00 H new ATOM 0 HA ILE A 45 1.671 6.329 5.164 1.00 0.00 H new ATOM 0 HB ILE A 45 2.336 5.143 2.543 1.00 0.00 H new ATOM 0 HG12 ILE A 45 0.162 4.832 3.669 1.00 0.00 H new ATOM 0 HG13 ILE A 45 0.967 3.295 3.420 1.00 0.00 H new ATOM 0 HG21 ILE A 45 3.463 3.154 3.435 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.444 4.629 3.614 1.00 0.00 H new ATOM 0 HG23 ILE A 45 3.594 3.949 5.022 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -0.071 3.393 5.634 1.00 0.00 H new ATOM 0 HD12 ILE A 45 1.700 3.282 5.780 1.00 0.00 H new ATOM 0 HD13 ILE A 45 0.882 4.842 6.032 1.00 0.00 H new ATOM 671 N GLU A 46 4.538 7.442 4.113 1.00 0.00 N ATOM 672 CA GLU A 46 5.870 7.850 4.559 1.00 0.00 C ATOM 673 C GLU A 46 5.784 8.584 5.895 1.00 0.00 C ATOM 674 O GLU A 46 6.412 8.187 6.876 1.00 0.00 O ATOM 675 CB GLU A 46 6.549 8.755 3.518 1.00 0.00 C ATOM 676 CG GLU A 46 7.977 9.140 3.901 1.00 0.00 C ATOM 677 CD GLU A 46 8.617 10.150 2.957 1.00 0.00 C ATOM 678 OE1 GLU A 46 8.419 11.364 3.164 1.00 0.00 O ATOM 679 OE2 GLU A 46 9.347 9.737 2.026 1.00 0.00 O ATOM 0 H GLU A 46 4.278 7.786 3.189 1.00 0.00 H new ATOM 0 HA GLU A 46 6.470 6.948 4.681 1.00 0.00 H new ATOM 0 HB2 GLU A 46 6.562 8.245 2.555 1.00 0.00 H new ATOM 0 HB3 GLU A 46 5.956 9.661 3.391 1.00 0.00 H new ATOM 0 HG2 GLU A 46 7.974 9.552 4.910 1.00 0.00 H new ATOM 0 HG3 GLU A 46 8.592 8.240 3.926 1.00 0.00 H new ATOM 686 N GLU A 47 4.975 9.639 5.932 1.00 0.00 N ATOM 687 CA GLU A 47 4.830 10.447 7.138 1.00 0.00 C ATOM 688 C GLU A 47 4.071 9.675 8.213 1.00 0.00 C ATOM 689 O GLU A 47 4.281 9.890 9.408 1.00 0.00 O ATOM 690 CB GLU A 47 4.120 11.781 6.842 1.00 0.00 C ATOM 691 CG GLU A 47 2.706 11.634 6.288 1.00 0.00 C ATOM 692 CD GLU A 47 1.947 12.951 6.255 1.00 0.00 C ATOM 693 OE1 GLU A 47 2.038 13.677 5.245 1.00 0.00 O ATOM 694 OE2 GLU A 47 1.262 13.273 7.254 1.00 0.00 O ATOM 0 H GLU A 47 4.411 9.954 5.142 1.00 0.00 H new ATOM 0 HA GLU A 47 5.831 10.673 7.504 1.00 0.00 H new ATOM 0 HB2 GLU A 47 4.078 12.368 7.760 1.00 0.00 H new ATOM 0 HB3 GLU A 47 4.719 12.347 6.129 1.00 0.00 H new ATOM 0 HG2 GLU A 47 2.757 11.224 5.280 1.00 0.00 H new ATOM 0 HG3 GLU A 47 2.155 10.917 6.897 1.00 0.00 H new ATOM 701 N ALA A 48 3.185 8.781 7.769 1.00 0.00 N ATOM 702 CA ALA A 48 2.309 8.041 8.670 1.00 0.00 C ATOM 703 C ALA A 48 3.084 7.350 9.795 1.00 0.00 C ATOM 704 O ALA A 48 2.737 7.510 10.968 1.00 0.00 O ATOM 705 CB ALA A 48 1.488 7.022 7.888 1.00 0.00 C ATOM 0 H ALA A 48 3.057 8.553 6.783 1.00 0.00 H new ATOM 0 HA ALA A 48 1.639 8.763 9.137 1.00 0.00 H new ATOM 0 HB1 ALA A 48 0.838 6.476 8.572 1.00 0.00 H new ATOM 0 HB2 ALA A 48 0.881 7.538 7.144 1.00 0.00 H new ATOM 0 HB3 ALA A 48 2.157 6.322 7.388 1.00 0.00 H new ATOM 711 N PHE A 49 4.136 6.594 9.460 1.00 0.00 N ATOM 712 CA PHE A 49 4.897 5.891 10.502 1.00 0.00 C ATOM 713 C PHE A 49 6.408 6.140 10.432 1.00 0.00 C ATOM 714 O PHE A 49 7.057 6.215 11.479 1.00 0.00 O ATOM 715 CB PHE A 49 4.592 4.380 10.483 1.00 0.00 C ATOM 716 CG PHE A 49 4.938 3.665 9.198 1.00 0.00 C ATOM 717 CD1 PHE A 49 6.214 3.154 8.988 1.00 0.00 C ATOM 718 CD2 PHE A 49 3.982 3.483 8.209 1.00 0.00 C ATOM 719 CE1 PHE A 49 6.525 2.482 7.822 1.00 0.00 C ATOM 720 CE2 PHE A 49 4.289 2.814 7.042 1.00 0.00 C ATOM 721 CZ PHE A 49 5.562 2.312 6.847 1.00 0.00 C ATOM 0 H PHE A 49 4.473 6.455 8.507 1.00 0.00 H new ATOM 0 HA PHE A 49 4.563 6.311 11.451 1.00 0.00 H new ATOM 0 HB2 PHE A 49 5.136 3.906 11.300 1.00 0.00 H new ATOM 0 HB3 PHE A 49 3.530 4.238 10.683 1.00 0.00 H new ATOM 0 HD1 PHE A 49 6.972 3.284 9.746 1.00 0.00 H new ATOM 0 HD2 PHE A 49 2.984 3.870 8.355 1.00 0.00 H new ATOM 0 HE1 PHE A 49 7.520 2.090 7.673 1.00 0.00 H new ATOM 0 HE2 PHE A 49 3.534 2.683 6.281 1.00 0.00 H new ATOM 0 HZ PHE A 49 5.803 1.788 5.934 1.00 0.00 H new ATOM 731 N ASP A 50 6.973 6.304 9.230 1.00 0.00 N ATOM 732 CA ASP A 50 8.435 6.427 9.099 1.00 0.00 C ATOM 733 C ASP A 50 8.868 6.666 7.649 1.00 0.00 C ATOM 734 O ASP A 50 9.355 7.750 7.309 1.00 0.00 O ATOM 735 CB ASP A 50 9.129 5.169 9.655 1.00 0.00 C ATOM 736 CG ASP A 50 10.646 5.219 9.548 1.00 0.00 C ATOM 737 OD1 ASP A 50 11.252 6.216 9.993 1.00 0.00 O ATOM 738 OD2 ASP A 50 11.242 4.261 9.020 1.00 0.00 O ATOM 0 H ASP A 50 6.457 6.354 8.351 1.00 0.00 H new ATOM 0 HA ASP A 50 8.739 7.298 9.680 1.00 0.00 H new ATOM 0 HB2 ASP A 50 8.850 5.041 10.701 1.00 0.00 H new ATOM 0 HB3 ASP A 50 8.763 4.294 9.118 1.00 0.00 H new ATOM 743 N ILE A 51 8.705 5.651 6.797 1.00 0.00 N ATOM 744 CA ILE A 51 9.121 5.746 5.390 1.00 0.00 C ATOM 745 C ILE A 51 8.083 5.113 4.468 1.00 0.00 C ATOM 746 O ILE A 51 7.116 4.502 4.929 1.00 0.00 O ATOM 747 CB ILE A 51 10.501 5.065 5.108 1.00 0.00 C ATOM 748 CG1 ILE A 51 10.400 3.521 5.130 1.00 0.00 C ATOM 749 CG2 ILE A 51 11.571 5.555 6.080 1.00 0.00 C ATOM 750 CD1 ILE A 51 9.970 2.919 6.455 1.00 0.00 C ATOM 0 H ILE A 51 8.290 4.755 7.053 1.00 0.00 H new ATOM 0 HA ILE A 51 9.216 6.813 5.189 1.00 0.00 H new ATOM 0 HB ILE A 51 10.799 5.357 4.101 1.00 0.00 H new ATOM 0 HG12 ILE A 51 9.693 3.208 4.361 1.00 0.00 H new ATOM 0 HG13 ILE A 51 11.371 3.106 4.859 1.00 0.00 H new ATOM 0 HG21 ILE A 51 12.518 5.063 5.857 1.00 0.00 H new ATOM 0 HG22 ILE A 51 11.690 6.634 5.977 1.00 0.00 H new ATOM 0 HG23 ILE A 51 11.271 5.319 7.101 1.00 0.00 H new ATOM 0 HD11 ILE A 51 9.930 1.833 6.366 1.00 0.00 H new ATOM 0 HD12 ILE A 51 10.687 3.193 7.229 1.00 0.00 H new ATOM 0 HD13 ILE A 51 8.984 3.297 6.724 1.00 0.00 H new ATOM 762 N GLU A 52 8.300 5.266 3.165 1.00 0.00 N ATOM 763 CA GLU A 52 7.478 4.615 2.154 1.00 0.00 C ATOM 764 C GLU A 52 8.262 3.489 1.480 1.00 0.00 C ATOM 765 O GLU A 52 9.471 3.357 1.684 1.00 0.00 O ATOM 766 CB GLU A 52 6.939 5.636 1.129 1.00 0.00 C ATOM 767 CG GLU A 52 7.874 6.803 0.811 1.00 0.00 C ATOM 768 CD GLU A 52 9.104 6.409 0.014 1.00 0.00 C ATOM 769 OE1 GLU A 52 9.000 6.293 -1.225 1.00 0.00 O ATOM 770 OE2 GLU A 52 10.188 6.252 0.618 1.00 0.00 O ATOM 0 H GLU A 52 9.049 5.843 2.783 1.00 0.00 H new ATOM 0 HA GLU A 52 6.611 4.172 2.643 1.00 0.00 H new ATOM 0 HB2 GLU A 52 6.714 5.110 0.201 1.00 0.00 H new ATOM 0 HB3 GLU A 52 5.998 6.038 1.503 1.00 0.00 H new ATOM 0 HG2 GLU A 52 7.319 7.558 0.254 1.00 0.00 H new ATOM 0 HG3 GLU A 52 8.192 7.266 1.745 1.00 0.00 H new ATOM 777 N PHE A 53 7.557 2.665 0.713 1.00 0.00 N ATOM 778 CA PHE A 53 8.148 1.484 0.088 1.00 0.00 C ATOM 779 C PHE A 53 9.306 1.872 -0.843 1.00 0.00 C ATOM 780 O PHE A 53 9.108 2.611 -1.808 1.00 0.00 O ATOM 781 CB PHE A 53 7.071 0.711 -0.680 1.00 0.00 C ATOM 782 CG PHE A 53 5.887 0.336 0.183 1.00 0.00 C ATOM 783 CD1 PHE A 53 6.000 -0.663 1.141 1.00 0.00 C ATOM 784 CD2 PHE A 53 4.667 0.984 0.041 1.00 0.00 C ATOM 785 CE1 PHE A 53 4.921 -1.006 1.936 1.00 0.00 C ATOM 786 CE2 PHE A 53 3.587 0.644 0.834 1.00 0.00 C ATOM 787 CZ PHE A 53 3.715 -0.352 1.782 1.00 0.00 C ATOM 0 H PHE A 53 6.566 2.794 0.507 1.00 0.00 H new ATOM 0 HA PHE A 53 8.555 0.843 0.870 1.00 0.00 H new ATOM 0 HB2 PHE A 53 6.726 1.315 -1.519 1.00 0.00 H new ATOM 0 HB3 PHE A 53 7.510 -0.194 -1.099 1.00 0.00 H new ATOM 0 HD1 PHE A 53 6.941 -1.178 1.267 1.00 0.00 H new ATOM 0 HD2 PHE A 53 4.561 1.764 -0.699 1.00 0.00 H new ATOM 0 HE1 PHE A 53 5.022 -1.785 2.677 1.00 0.00 H new ATOM 0 HE2 PHE A 53 2.644 1.157 0.712 1.00 0.00 H new ATOM 0 HZ PHE A 53 2.872 -0.619 2.402 1.00 0.00 H new ATOM 797 N PRO A 54 10.529 1.375 -0.555 1.00 0.00 N ATOM 798 CA PRO A 54 11.740 1.744 -1.306 1.00 0.00 C ATOM 799 C PRO A 54 11.660 1.387 -2.792 1.00 0.00 C ATOM 800 O PRO A 54 11.044 0.384 -3.180 1.00 0.00 O ATOM 801 CB PRO A 54 12.860 0.943 -0.615 1.00 0.00 C ATOM 802 CG PRO A 54 12.157 -0.156 0.106 1.00 0.00 C ATOM 803 CD PRO A 54 10.836 0.423 0.530 1.00 0.00 C ATOM 0 HA PRO A 54 11.899 2.822 -1.293 1.00 0.00 H new ATOM 0 HB2 PRO A 54 13.569 0.548 -1.342 1.00 0.00 H new ATOM 0 HB3 PRO A 54 13.426 1.569 0.075 1.00 0.00 H new ATOM 0 HG2 PRO A 54 12.016 -1.022 -0.540 1.00 0.00 H new ATOM 0 HG3 PRO A 54 12.733 -0.491 0.968 1.00 0.00 H new ATOM 0 HD2 PRO A 54 10.069 -0.346 0.622 1.00 0.00 H new ATOM 0 HD3 PRO A 54 10.905 0.921 1.497 1.00 0.00 H new ATOM 811 N ASP A 55 12.320 2.206 -3.606 1.00 0.00 N ATOM 812 CA ASP A 55 12.336 2.057 -5.061 1.00 0.00 C ATOM 813 C ASP A 55 12.811 0.661 -5.472 1.00 0.00 C ATOM 814 O ASP A 55 12.412 0.142 -6.517 1.00 0.00 O ATOM 815 CB ASP A 55 13.246 3.127 -5.680 1.00 0.00 C ATOM 816 CG ASP A 55 13.319 3.042 -7.198 1.00 0.00 C ATOM 817 OD1 ASP A 55 12.436 3.607 -7.873 1.00 0.00 O ATOM 818 OD2 ASP A 55 14.265 2.412 -7.722 1.00 0.00 O ATOM 0 H ASP A 55 12.865 3.001 -3.272 1.00 0.00 H new ATOM 0 HA ASP A 55 11.318 2.186 -5.429 1.00 0.00 H new ATOM 0 HB2 ASP A 55 12.883 4.114 -5.394 1.00 0.00 H new ATOM 0 HB3 ASP A 55 14.250 3.025 -5.267 1.00 0.00 H new ATOM 823 N ASN A 56 13.653 0.061 -4.631 1.00 0.00 N ATOM 824 CA ASN A 56 14.206 -1.274 -4.889 1.00 0.00 C ATOM 825 C ASN A 56 13.100 -2.286 -5.196 1.00 0.00 C ATOM 826 O ASN A 56 13.250 -3.135 -6.077 1.00 0.00 O ATOM 827 CB ASN A 56 15.027 -1.770 -3.684 1.00 0.00 C ATOM 828 CG ASN A 56 16.230 -0.892 -3.362 1.00 0.00 C ATOM 829 OD1 ASN A 56 16.203 0.325 -3.556 1.00 0.00 O ATOM 830 ND2 ASN A 56 17.297 -1.506 -2.868 1.00 0.00 N ATOM 0 H ASN A 56 13.971 0.480 -3.757 1.00 0.00 H new ATOM 0 HA ASN A 56 14.857 -1.189 -5.759 1.00 0.00 H new ATOM 0 HB2 ASN A 56 14.379 -1.819 -2.809 1.00 0.00 H new ATOM 0 HB3 ASN A 56 15.371 -2.785 -3.883 1.00 0.00 H new ATOM 0 HD21 ASN A 56 18.132 -0.969 -2.635 1.00 0.00 H new ATOM 0 HD22 ASN A 56 17.282 -2.515 -2.721 1.00 0.00 H new ATOM 837 N LEU A 57 11.986 -2.188 -4.472 1.00 0.00 N ATOM 838 CA LEU A 57 10.883 -3.140 -4.621 1.00 0.00 C ATOM 839 C LEU A 57 9.646 -2.472 -5.218 1.00 0.00 C ATOM 840 O LEU A 57 8.632 -3.132 -5.467 1.00 0.00 O ATOM 841 CB LEU A 57 10.559 -3.798 -3.261 1.00 0.00 C ATOM 842 CG LEU A 57 10.299 -2.835 -2.077 1.00 0.00 C ATOM 843 CD1 LEU A 57 8.924 -2.171 -2.173 1.00 0.00 C ATOM 844 CD2 LEU A 57 10.446 -3.570 -0.747 1.00 0.00 C ATOM 0 H LEU A 57 11.822 -1.460 -3.777 1.00 0.00 H new ATOM 0 HA LEU A 57 11.197 -3.918 -5.317 1.00 0.00 H new ATOM 0 HB2 LEU A 57 9.680 -4.430 -3.388 1.00 0.00 H new ATOM 0 HB3 LEU A 57 11.387 -4.454 -2.993 1.00 0.00 H new ATOM 0 HG LEU A 57 11.048 -2.045 -2.129 1.00 0.00 H new ATOM 0 HD11 LEU A 57 8.782 -1.504 -1.323 1.00 0.00 H new ATOM 0 HD12 LEU A 57 8.860 -1.599 -3.098 1.00 0.00 H new ATOM 0 HD13 LEU A 57 8.149 -2.937 -2.166 1.00 0.00 H new ATOM 0 HD21 LEU A 57 10.260 -2.878 0.074 1.00 0.00 H new ATOM 0 HD22 LEU A 57 9.727 -4.388 -0.702 1.00 0.00 H new ATOM 0 HD23 LEU A 57 11.456 -3.970 -0.662 1.00 0.00 H new ATOM 856 N LEU A 58 9.734 -1.164 -5.448 1.00 0.00 N ATOM 857 CA LEU A 58 8.603 -0.390 -5.952 1.00 0.00 C ATOM 858 C LEU A 58 8.326 -0.748 -7.414 1.00 0.00 C ATOM 859 O LEU A 58 8.766 -0.045 -8.330 1.00 0.00 O ATOM 860 CB LEU A 58 8.875 1.120 -5.781 1.00 0.00 C ATOM 861 CG LEU A 58 7.639 2.044 -5.740 1.00 0.00 C ATOM 862 CD1 LEU A 58 8.038 3.444 -5.285 1.00 0.00 C ATOM 863 CD2 LEU A 58 6.937 2.114 -7.099 1.00 0.00 C ATOM 0 H LEU A 58 10.580 -0.616 -5.293 1.00 0.00 H new ATOM 0 HA LEU A 58 7.712 -0.638 -5.374 1.00 0.00 H new ATOM 0 HB2 LEU A 58 9.438 1.263 -4.859 1.00 0.00 H new ATOM 0 HB3 LEU A 58 9.517 1.446 -6.600 1.00 0.00 H new ATOM 0 HG LEU A 58 6.936 1.619 -5.023 1.00 0.00 H new ATOM 0 HD11 LEU A 58 7.156 4.084 -5.261 1.00 0.00 H new ATOM 0 HD12 LEU A 58 8.475 3.392 -4.288 1.00 0.00 H new ATOM 0 HD13 LEU A 58 8.768 3.858 -5.980 1.00 0.00 H new ATOM 0 HD21 LEU A 58 6.072 2.774 -7.028 1.00 0.00 H new ATOM 0 HD22 LEU A 58 7.629 2.501 -7.847 1.00 0.00 H new ATOM 0 HD23 LEU A 58 6.609 1.116 -7.391 1.00 0.00 H new ATOM 875 N ASN A 59 7.633 -1.875 -7.604 1.00 0.00 N ATOM 876 CA ASN A 59 7.232 -2.380 -8.923 1.00 0.00 C ATOM 877 C ASN A 59 6.806 -3.841 -8.806 1.00 0.00 C ATOM 878 O ASN A 59 5.876 -4.290 -9.480 1.00 0.00 O ATOM 879 CB ASN A 59 8.374 -2.266 -9.952 1.00 0.00 C ATOM 880 CG ASN A 59 8.014 -2.877 -11.298 1.00 0.00 C ATOM 881 OD1 ASN A 59 8.318 -4.038 -11.567 1.00 0.00 O ATOM 882 ND2 ASN A 59 7.355 -2.105 -12.147 1.00 0.00 N ATOM 0 H ASN A 59 7.330 -2.472 -6.835 1.00 0.00 H new ATOM 0 HA ASN A 59 6.399 -1.769 -9.271 1.00 0.00 H new ATOM 0 HB2 ASN A 59 8.629 -1.215 -10.091 1.00 0.00 H new ATOM 0 HB3 ASN A 59 9.262 -2.760 -9.559 1.00 0.00 H new ATOM 0 HD21 ASN A 59 7.082 -2.468 -13.060 1.00 0.00 H new ATOM 0 HD22 ASN A 59 7.120 -1.147 -11.888 1.00 0.00 H new ATOM 889 N ARG A 60 7.484 -4.566 -7.919 1.00 0.00 N ATOM 890 CA ARG A 60 7.300 -6.010 -7.779 1.00 0.00 C ATOM 891 C ARG A 60 5.961 -6.360 -7.124 1.00 0.00 C ATOM 892 O ARG A 60 5.336 -5.525 -6.466 1.00 0.00 O ATOM 893 CB ARG A 60 8.473 -6.600 -6.984 1.00 0.00 C ATOM 894 CG ARG A 60 9.811 -6.430 -7.698 1.00 0.00 C ATOM 895 CD ARG A 60 10.988 -6.927 -6.869 1.00 0.00 C ATOM 896 NE ARG A 60 12.250 -6.784 -7.599 1.00 0.00 N ATOM 897 CZ ARG A 60 13.460 -6.830 -7.045 1.00 0.00 C ATOM 898 NH1 ARG A 60 13.602 -7.030 -5.740 1.00 0.00 N ATOM 899 NH2 ARG A 60 14.532 -6.693 -7.808 1.00 0.00 N ATOM 0 H ARG A 60 8.174 -4.172 -7.279 1.00 0.00 H new ATOM 0 HA ARG A 60 7.282 -6.449 -8.776 1.00 0.00 H new ATOM 0 HB2 ARG A 60 8.523 -6.119 -6.007 1.00 0.00 H new ATOM 0 HB3 ARG A 60 8.291 -7.660 -6.809 1.00 0.00 H new ATOM 0 HG2 ARG A 60 9.784 -6.971 -8.644 1.00 0.00 H new ATOM 0 HG3 ARG A 60 9.959 -5.377 -7.937 1.00 0.00 H new ATOM 0 HD2 ARG A 60 11.040 -6.367 -5.935 1.00 0.00 H new ATOM 0 HD3 ARG A 60 10.834 -7.973 -6.606 1.00 0.00 H new ATOM 0 HE ARG A 60 12.198 -6.638 -8.607 1.00 0.00 H new ATOM 0 HH11 ARG A 60 12.779 -7.150 -5.150 1.00 0.00 H new ATOM 0 HH12 ARG A 60 14.534 -7.063 -5.328 1.00 0.00 H new ATOM 0 HH21 ARG A 60 14.428 -6.553 -8.813 1.00 0.00 H new ATOM 0 HH22 ARG A 60 15.462 -6.727 -7.391 1.00 0.00 H new ATOM 913 N LYS A 61 5.552 -7.619 -7.294 1.00 0.00 N ATOM 914 CA LYS A 61 4.235 -8.108 -6.865 1.00 0.00 C ATOM 915 C LYS A 61 4.013 -7.989 -5.351 1.00 0.00 C ATOM 916 O LYS A 61 2.907 -8.229 -4.873 1.00 0.00 O ATOM 917 CB LYS A 61 4.049 -9.575 -7.287 1.00 0.00 C ATOM 918 CG LYS A 61 5.100 -10.518 -6.704 1.00 0.00 C ATOM 919 CD LYS A 61 4.737 -11.987 -6.913 1.00 0.00 C ATOM 920 CE LYS A 61 3.474 -12.374 -6.149 1.00 0.00 C ATOM 921 NZ LYS A 61 3.172 -13.824 -6.267 1.00 0.00 N ATOM 0 H LYS A 61 6.128 -8.335 -7.736 1.00 0.00 H new ATOM 0 HA LYS A 61 3.498 -7.473 -7.356 1.00 0.00 H new ATOM 0 HB2 LYS A 61 3.060 -9.911 -6.976 1.00 0.00 H new ATOM 0 HB3 LYS A 61 4.080 -9.638 -8.375 1.00 0.00 H new ATOM 0 HG2 LYS A 61 6.065 -10.315 -7.168 1.00 0.00 H new ATOM 0 HG3 LYS A 61 5.211 -10.321 -5.638 1.00 0.00 H new ATOM 0 HD2 LYS A 61 4.591 -12.177 -7.976 1.00 0.00 H new ATOM 0 HD3 LYS A 61 5.566 -12.616 -6.587 1.00 0.00 H new ATOM 0 HE2 LYS A 61 3.593 -12.113 -5.097 1.00 0.00 H new ATOM 0 HE3 LYS A 61 2.631 -11.796 -6.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 2.307 -14.043 -5.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 3.033 -14.069 -7.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 3.965 -14.376 -5.882 1.00 0.00 H new ATOM 935 N SER A 62 5.060 -7.646 -4.603 1.00 0.00 N ATOM 936 CA SER A 62 4.977 -7.550 -3.144 1.00 0.00 C ATOM 937 C SER A 62 3.763 -6.724 -2.687 1.00 0.00 C ATOM 938 O SER A 62 3.147 -7.032 -1.666 1.00 0.00 O ATOM 939 CB SER A 62 6.272 -6.945 -2.595 1.00 0.00 C ATOM 940 OG SER A 62 7.398 -7.699 -3.014 1.00 0.00 O ATOM 0 H SER A 62 5.981 -7.429 -4.984 1.00 0.00 H new ATOM 0 HA SER A 62 4.846 -8.557 -2.748 1.00 0.00 H new ATOM 0 HB2 SER A 62 6.371 -5.915 -2.937 1.00 0.00 H new ATOM 0 HB3 SER A 62 6.232 -6.917 -1.506 1.00 0.00 H new ATOM 0 HG SER A 62 8.215 -7.295 -2.654 1.00 0.00 H new ATOM 946 N PHE A 63 3.415 -5.696 -3.463 1.00 0.00 N ATOM 947 CA PHE A 63 2.294 -4.809 -3.127 1.00 0.00 C ATOM 948 C PHE A 63 0.960 -5.559 -3.140 1.00 0.00 C ATOM 949 O PHE A 63 0.017 -5.173 -2.452 1.00 0.00 O ATOM 950 CB PHE A 63 2.237 -3.625 -4.104 1.00 0.00 C ATOM 951 CG PHE A 63 3.427 -2.703 -4.009 1.00 0.00 C ATOM 952 CD1 PHE A 63 4.577 -2.954 -4.741 1.00 0.00 C ATOM 953 CD2 PHE A 63 3.396 -1.590 -3.180 1.00 0.00 C ATOM 954 CE1 PHE A 63 5.670 -2.115 -4.651 1.00 0.00 C ATOM 955 CE2 PHE A 63 4.487 -0.748 -3.088 1.00 0.00 C ATOM 956 CZ PHE A 63 5.625 -1.010 -3.824 1.00 0.00 C ATOM 0 H PHE A 63 3.893 -5.455 -4.331 1.00 0.00 H new ATOM 0 HA PHE A 63 2.462 -4.435 -2.117 1.00 0.00 H new ATOM 0 HB2 PHE A 63 2.166 -4.008 -5.122 1.00 0.00 H new ATOM 0 HB3 PHE A 63 1.329 -3.053 -3.915 1.00 0.00 H new ATOM 0 HD1 PHE A 63 4.619 -3.816 -5.390 1.00 0.00 H new ATOM 0 HD2 PHE A 63 2.509 -1.380 -2.601 1.00 0.00 H new ATOM 0 HE1 PHE A 63 6.560 -2.323 -5.227 1.00 0.00 H new ATOM 0 HE2 PHE A 63 4.450 0.115 -2.440 1.00 0.00 H new ATOM 0 HZ PHE A 63 6.479 -0.352 -3.753 1.00 0.00 H new ATOM 966 N ALA A 64 0.891 -6.628 -3.929 1.00 0.00 N ATOM 967 CA ALA A 64 -0.325 -7.431 -4.041 1.00 0.00 C ATOM 968 C ALA A 64 -0.620 -8.164 -2.735 1.00 0.00 C ATOM 969 O ALA A 64 -1.768 -8.492 -2.437 1.00 0.00 O ATOM 970 CB ALA A 64 -0.199 -8.427 -5.188 1.00 0.00 C ATOM 0 H ALA A 64 1.666 -6.960 -4.503 1.00 0.00 H new ATOM 0 HA ALA A 64 -1.157 -6.758 -4.248 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -1.112 -9.018 -5.259 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -0.042 -7.888 -6.122 1.00 0.00 H new ATOM 0 HB3 ALA A 64 0.648 -9.088 -5.004 1.00 0.00 H new ATOM 976 N SER A 65 0.429 -8.430 -1.966 1.00 0.00 N ATOM 977 CA SER A 65 0.298 -9.102 -0.681 1.00 0.00 C ATOM 978 C SER A 65 0.766 -8.176 0.439 1.00 0.00 C ATOM 979 O SER A 65 1.938 -8.192 0.825 1.00 0.00 O ATOM 980 CB SER A 65 1.105 -10.407 -0.684 1.00 0.00 C ATOM 981 OG SER A 65 0.660 -11.277 -1.714 1.00 0.00 O ATOM 0 H SER A 65 1.388 -8.187 -2.214 1.00 0.00 H new ATOM 0 HA SER A 65 -0.750 -9.349 -0.510 1.00 0.00 H new ATOM 0 HB2 SER A 65 2.163 -10.184 -0.823 1.00 0.00 H new ATOM 0 HB3 SER A 65 1.007 -10.902 0.282 1.00 0.00 H new ATOM 0 HG SER A 65 1.190 -12.101 -1.698 1.00 0.00 H new ATOM 987 N ILE A 66 -0.157 -7.362 0.946 1.00 0.00 N ATOM 988 CA ILE A 66 0.162 -6.359 1.960 1.00 0.00 C ATOM 989 C ILE A 66 0.803 -7.008 3.188 1.00 0.00 C ATOM 990 O ILE A 66 1.819 -6.528 3.691 1.00 0.00 O ATOM 991 CB ILE A 66 -1.099 -5.559 2.380 1.00 0.00 C ATOM 992 CG1 ILE A 66 -1.727 -4.885 1.146 1.00 0.00 C ATOM 993 CG2 ILE A 66 -0.754 -4.521 3.452 1.00 0.00 C ATOM 994 CD1 ILE A 66 -2.982 -4.093 1.446 1.00 0.00 C ATOM 0 H ILE A 66 -1.139 -7.378 0.669 1.00 0.00 H new ATOM 0 HA ILE A 66 0.876 -5.665 1.517 1.00 0.00 H new ATOM 0 HB ILE A 66 -1.825 -6.250 2.809 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -0.990 -4.221 0.694 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -1.962 -5.651 0.407 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -1.654 -3.973 3.730 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -0.350 -5.025 4.330 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -0.012 -3.825 3.060 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -3.362 -3.650 0.525 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -3.738 -4.755 1.869 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -2.751 -3.303 2.160 1.00 0.00 H new ATOM 1006 N LYS A 67 0.219 -8.119 3.636 1.00 0.00 N ATOM 1007 CA LYS A 67 0.736 -8.854 4.796 1.00 0.00 C ATOM 1008 C LYS A 67 2.193 -9.278 4.586 1.00 0.00 C ATOM 1009 O LYS A 67 2.946 -9.444 5.546 1.00 0.00 O ATOM 1010 CB LYS A 67 -0.125 -10.094 5.105 1.00 0.00 C ATOM 1011 CG LYS A 67 -0.100 -11.189 4.032 1.00 0.00 C ATOM 1012 CD LYS A 67 -1.073 -10.912 2.888 1.00 0.00 C ATOM 1013 CE LYS A 67 -1.069 -12.036 1.851 1.00 0.00 C ATOM 1014 NZ LYS A 67 -1.408 -13.367 2.440 1.00 0.00 N ATOM 0 H LYS A 67 -0.613 -8.532 3.215 1.00 0.00 H new ATOM 0 HA LYS A 67 0.689 -8.174 5.647 1.00 0.00 H new ATOM 0 HB2 LYS A 67 0.211 -10.524 6.048 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -1.157 -9.773 5.250 1.00 0.00 H new ATOM 0 HG2 LYS A 67 0.910 -11.277 3.632 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -0.346 -12.147 4.490 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -2.079 -10.791 3.289 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -0.807 -9.972 2.405 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -1.784 -11.800 1.063 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -0.086 -12.090 1.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -1.507 -14.068 1.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -0.650 -13.663 3.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -2.303 -13.297 2.965 1.00 0.00 H new ATOM 1028 N ALA A 68 2.579 -9.478 3.330 1.00 0.00 N ATOM 1029 CA ALA A 68 3.945 -9.878 3.003 1.00 0.00 C ATOM 1030 C ALA A 68 4.873 -8.665 2.964 1.00 0.00 C ATOM 1031 O ALA A 68 5.921 -8.647 3.614 1.00 0.00 O ATOM 1032 CB ALA A 68 3.977 -10.619 1.670 1.00 0.00 C ATOM 0 H ALA A 68 1.966 -9.370 2.522 1.00 0.00 H new ATOM 0 HA ALA A 68 4.300 -10.551 3.784 1.00 0.00 H new ATOM 0 HB1 ALA A 68 5.002 -10.910 1.440 1.00 0.00 H new ATOM 0 HB2 ALA A 68 3.352 -11.510 1.734 1.00 0.00 H new ATOM 0 HB3 ALA A 68 3.600 -9.967 0.882 1.00 0.00 H new ATOM 1038 N ILE A 69 4.470 -7.644 2.211 1.00 0.00 N ATOM 1039 CA ILE A 69 5.309 -6.469 1.992 1.00 0.00 C ATOM 1040 C ILE A 69 5.510 -5.676 3.288 1.00 0.00 C ATOM 1041 O ILE A 69 6.557 -5.055 3.488 1.00 0.00 O ATOM 1042 CB ILE A 69 4.731 -5.550 0.880 1.00 0.00 C ATOM 1043 CG1 ILE A 69 5.755 -4.472 0.482 1.00 0.00 C ATOM 1044 CG2 ILE A 69 3.419 -4.909 1.326 1.00 0.00 C ATOM 1045 CD1 ILE A 69 5.321 -3.616 -0.690 1.00 0.00 C ATOM 0 H ILE A 69 3.565 -7.607 1.741 1.00 0.00 H new ATOM 0 HA ILE A 69 6.281 -6.832 1.658 1.00 0.00 H new ATOM 0 HB ILE A 69 4.523 -6.167 0.006 1.00 0.00 H new ATOM 0 HG12 ILE A 69 5.941 -3.827 1.341 1.00 0.00 H new ATOM 0 HG13 ILE A 69 6.700 -4.956 0.236 1.00 0.00 H new ATOM 0 HG21 ILE A 69 3.036 -4.271 0.529 1.00 0.00 H new ATOM 0 HG22 ILE A 69 2.690 -5.689 1.548 1.00 0.00 H new ATOM 0 HG23 ILE A 69 3.592 -4.309 2.219 1.00 0.00 H new ATOM 0 HD11 ILE A 69 6.095 -2.881 -0.910 1.00 0.00 H new ATOM 0 HD12 ILE A 69 5.163 -4.248 -1.564 1.00 0.00 H new ATOM 0 HD13 ILE A 69 4.392 -3.102 -0.441 1.00 0.00 H new ATOM 1057 N GLU A 70 4.508 -5.702 4.172 1.00 0.00 N ATOM 1058 CA GLU A 70 4.598 -4.996 5.451 1.00 0.00 C ATOM 1059 C GLU A 70 5.769 -5.536 6.275 1.00 0.00 C ATOM 1060 O GLU A 70 6.368 -4.817 7.078 1.00 0.00 O ATOM 1061 CB GLU A 70 3.269 -5.070 6.233 1.00 0.00 C ATOM 1062 CG GLU A 70 2.862 -6.465 6.717 1.00 0.00 C ATOM 1063 CD GLU A 70 3.583 -6.903 7.983 1.00 0.00 C ATOM 1064 OE1 GLU A 70 3.666 -6.098 8.936 1.00 0.00 O ATOM 1065 OE2 GLU A 70 4.083 -8.048 8.032 1.00 0.00 O ATOM 0 H GLU A 70 3.631 -6.201 4.026 1.00 0.00 H new ATOM 0 HA GLU A 70 4.786 -3.942 5.247 1.00 0.00 H new ATOM 0 HB2 GLU A 70 3.340 -4.411 7.099 1.00 0.00 H new ATOM 0 HB3 GLU A 70 2.473 -4.678 5.599 1.00 0.00 H new ATOM 0 HG2 GLU A 70 1.787 -6.479 6.897 1.00 0.00 H new ATOM 0 HG3 GLU A 70 3.062 -7.188 5.926 1.00 0.00 H new ATOM 1072 N ASP A 71 6.089 -6.810 6.071 1.00 0.00 N ATOM 1073 CA ASP A 71 7.241 -7.425 6.723 1.00 0.00 C ATOM 1074 C ASP A 71 8.530 -6.881 6.119 1.00 0.00 C ATOM 1075 O ASP A 71 9.491 -6.584 6.831 1.00 0.00 O ATOM 1076 CB ASP A 71 7.192 -8.952 6.577 1.00 0.00 C ATOM 1077 CG ASP A 71 8.328 -9.647 7.310 1.00 0.00 C ATOM 1078 OD1 ASP A 71 8.230 -9.810 8.545 1.00 0.00 O ATOM 1079 OD2 ASP A 71 9.315 -10.046 6.659 1.00 0.00 O ATOM 0 H ASP A 71 5.567 -7.437 5.459 1.00 0.00 H new ATOM 0 HA ASP A 71 7.213 -7.180 7.785 1.00 0.00 H new ATOM 0 HB2 ASP A 71 6.240 -9.319 6.959 1.00 0.00 H new ATOM 0 HB3 ASP A 71 7.233 -9.214 5.520 1.00 0.00 H new ATOM 1084 N THR A 72 8.524 -6.728 4.799 1.00 0.00 N ATOM 1085 CA THR A 72 9.682 -6.228 4.072 1.00 0.00 C ATOM 1086 C THR A 72 9.997 -4.782 4.469 1.00 0.00 C ATOM 1087 O THR A 72 11.163 -4.401 4.587 1.00 0.00 O ATOM 1088 CB THR A 72 9.452 -6.316 2.545 1.00 0.00 C ATOM 1089 OG1 THR A 72 8.924 -7.606 2.206 1.00 0.00 O ATOM 1090 CG2 THR A 72 10.751 -6.085 1.777 1.00 0.00 C ATOM 0 H THR A 72 7.722 -6.946 4.208 1.00 0.00 H new ATOM 0 HA THR A 72 10.534 -6.855 4.336 1.00 0.00 H new ATOM 0 HB THR A 72 8.741 -5.538 2.266 1.00 0.00 H new ATOM 0 HG1 THR A 72 8.779 -7.656 1.238 1.00 0.00 H new ATOM 0 HG21 THR A 72 10.558 -6.153 0.706 1.00 0.00 H new ATOM 0 HG22 THR A 72 11.142 -5.095 2.013 1.00 0.00 H new ATOM 0 HG23 THR A 72 11.482 -6.842 2.062 1.00 0.00 H new ATOM 1098 N VAL A 73 8.954 -3.978 4.689 1.00 0.00 N ATOM 1099 CA VAL A 73 9.141 -2.585 5.095 1.00 0.00 C ATOM 1100 C VAL A 73 9.578 -2.507 6.565 1.00 0.00 C ATOM 1101 O VAL A 73 10.288 -1.583 6.958 1.00 0.00 O ATOM 1102 CB VAL A 73 7.872 -1.719 4.847 1.00 0.00 C ATOM 1103 CG1 VAL A 73 6.693 -2.211 5.670 1.00 0.00 C ATOM 1104 CG2 VAL A 73 8.147 -0.241 5.125 1.00 0.00 C ATOM 0 H VAL A 73 7.980 -4.265 4.594 1.00 0.00 H new ATOM 0 HA VAL A 73 9.932 -2.171 4.470 1.00 0.00 H new ATOM 0 HB VAL A 73 7.610 -1.822 3.794 1.00 0.00 H new ATOM 0 HG11 VAL A 73 5.824 -1.583 5.472 1.00 0.00 H new ATOM 0 HG12 VAL A 73 6.465 -3.242 5.399 1.00 0.00 H new ATOM 0 HG13 VAL A 73 6.943 -2.161 6.730 1.00 0.00 H new ATOM 0 HG21 VAL A 73 7.242 0.338 4.943 1.00 0.00 H new ATOM 0 HG22 VAL A 73 8.454 -0.117 6.163 1.00 0.00 H new ATOM 0 HG23 VAL A 73 8.942 0.111 4.467 1.00 0.00 H new ATOM 1114 N LYS A 74 9.165 -3.491 7.374 1.00 0.00 N ATOM 1115 CA LYS A 74 9.641 -3.591 8.759 1.00 0.00 C ATOM 1116 C LYS A 74 11.163 -3.672 8.794 1.00 0.00 C ATOM 1117 O LYS A 74 11.814 -3.088 9.661 1.00 0.00 O ATOM 1118 CB LYS A 74 9.068 -4.825 9.472 1.00 0.00 C ATOM 1119 CG LYS A 74 7.665 -4.641 10.038 1.00 0.00 C ATOM 1120 CD LYS A 74 7.374 -5.686 11.112 1.00 0.00 C ATOM 1121 CE LYS A 74 7.182 -7.083 10.536 1.00 0.00 C ATOM 1122 NZ LYS A 74 5.869 -7.225 9.858 1.00 0.00 N ATOM 0 H LYS A 74 8.509 -4.222 7.097 1.00 0.00 H new ATOM 0 HA LYS A 74 9.299 -2.695 9.278 1.00 0.00 H new ATOM 0 HB2 LYS A 74 9.055 -5.659 8.771 1.00 0.00 H new ATOM 0 HB3 LYS A 74 9.739 -5.102 10.285 1.00 0.00 H new ATOM 0 HG2 LYS A 74 7.566 -3.641 10.461 1.00 0.00 H new ATOM 0 HG3 LYS A 74 6.931 -4.722 9.236 1.00 0.00 H new ATOM 0 HD2 LYS A 74 8.195 -5.703 11.829 1.00 0.00 H new ATOM 0 HD3 LYS A 74 6.478 -5.397 11.661 1.00 0.00 H new ATOM 0 HE2 LYS A 74 7.982 -7.297 9.827 1.00 0.00 H new ATOM 0 HE3 LYS A 74 7.259 -7.820 11.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 5.966 -7.867 9.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 5.174 -7.615 10.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 5.547 -6.293 9.527 1.00 0.00 H new ATOM 1136 N LEU A 75 11.714 -4.424 7.850 1.00 0.00 N ATOM 1137 CA LEU A 75 13.164 -4.577 7.716 1.00 0.00 C ATOM 1138 C LEU A 75 13.865 -3.215 7.660 1.00 0.00 C ATOM 1139 O LEU A 75 15.009 -3.081 8.099 1.00 0.00 O ATOM 1140 CB LEU A 75 13.507 -5.395 6.462 1.00 0.00 C ATOM 1141 CG LEU A 75 12.944 -6.826 6.430 1.00 0.00 C ATOM 1142 CD1 LEU A 75 13.295 -7.521 5.115 1.00 0.00 C ATOM 1143 CD2 LEU A 75 13.454 -7.636 7.622 1.00 0.00 C ATOM 0 H LEU A 75 11.175 -4.944 7.157 1.00 0.00 H new ATOM 0 HA LEU A 75 13.522 -5.110 8.597 1.00 0.00 H new ATOM 0 HB2 LEU A 75 13.138 -4.859 5.588 1.00 0.00 H new ATOM 0 HB3 LEU A 75 14.592 -5.448 6.370 1.00 0.00 H new ATOM 0 HG LEU A 75 11.858 -6.763 6.500 1.00 0.00 H new ATOM 0 HD11 LEU A 75 12.886 -8.531 5.117 1.00 0.00 H new ATOM 0 HD12 LEU A 75 12.871 -6.959 4.282 1.00 0.00 H new ATOM 0 HD13 LEU A 75 14.379 -7.569 5.007 1.00 0.00 H new ATOM 0 HD21 LEU A 75 13.043 -8.645 7.579 1.00 0.00 H new ATOM 0 HD22 LEU A 75 14.542 -7.686 7.589 1.00 0.00 H new ATOM 0 HD23 LEU A 75 13.141 -7.156 8.549 1.00 0.00 H new ATOM 1155 N ILE A 76 13.173 -2.209 7.124 1.00 0.00 N ATOM 1156 CA ILE A 76 13.710 -0.848 7.065 1.00 0.00 C ATOM 1157 C ILE A 76 13.808 -0.259 8.475 1.00 0.00 C ATOM 1158 O ILE A 76 14.811 0.354 8.836 1.00 0.00 O ATOM 1159 CB ILE A 76 12.832 0.073 6.182 1.00 0.00 C ATOM 1160 CG1 ILE A 76 12.614 -0.557 4.794 1.00 0.00 C ATOM 1161 CG2 ILE A 76 13.469 1.461 6.054 1.00 0.00 C ATOM 1162 CD1 ILE A 76 11.678 0.231 3.906 1.00 0.00 C ATOM 0 H ILE A 76 12.240 -2.310 6.725 1.00 0.00 H new ATOM 0 HA ILE A 76 14.703 -0.905 6.619 1.00 0.00 H new ATOM 0 HB ILE A 76 11.860 0.186 6.662 1.00 0.00 H new ATOM 0 HG12 ILE A 76 13.578 -0.654 4.294 1.00 0.00 H new ATOM 0 HG13 ILE A 76 12.217 -1.564 4.921 1.00 0.00 H new ATOM 0 HG21 ILE A 76 12.838 2.095 5.430 1.00 0.00 H new ATOM 0 HG22 ILE A 76 13.568 1.909 7.043 1.00 0.00 H new ATOM 0 HG23 ILE A 76 14.455 1.368 5.598 1.00 0.00 H new ATOM 0 HD11 ILE A 76 11.575 -0.275 2.946 1.00 0.00 H new ATOM 0 HD12 ILE A 76 10.701 0.307 4.383 1.00 0.00 H new ATOM 0 HD13 ILE A 76 12.083 1.231 3.747 1.00 0.00 H new ATOM 1174 N LEU A 77 12.758 -0.470 9.268 1.00 0.00 N ATOM 1175 CA LEU A 77 12.744 -0.051 10.671 1.00 0.00 C ATOM 1176 C LEU A 77 13.826 -0.795 11.448 1.00 0.00 C ATOM 1177 O LEU A 77 14.394 -0.276 12.411 1.00 0.00 O ATOM 1178 CB LEU A 77 11.366 -0.316 11.314 1.00 0.00 C ATOM 1179 CG LEU A 77 10.234 0.661 10.933 1.00 0.00 C ATOM 1180 CD1 LEU A 77 10.582 2.081 11.371 1.00 0.00 C ATOM 1181 CD2 LEU A 77 9.934 0.609 9.433 1.00 0.00 C ATOM 0 H LEU A 77 11.901 -0.931 8.961 1.00 0.00 H new ATOM 0 HA LEU A 77 12.941 1.020 10.708 1.00 0.00 H new ATOM 0 HB2 LEU A 77 11.052 -1.325 11.046 1.00 0.00 H new ATOM 0 HB3 LEU A 77 11.485 -0.296 12.397 1.00 0.00 H new ATOM 0 HG LEU A 77 9.331 0.351 11.459 1.00 0.00 H new ATOM 0 HD11 LEU A 77 9.772 2.756 11.094 1.00 0.00 H new ATOM 0 HD12 LEU A 77 10.720 2.105 12.452 1.00 0.00 H new ATOM 0 HD13 LEU A 77 11.502 2.398 10.880 1.00 0.00 H new ATOM 0 HD21 LEU A 77 9.132 1.309 9.198 1.00 0.00 H new ATOM 0 HD22 LEU A 77 10.829 0.881 8.873 1.00 0.00 H new ATOM 0 HD23 LEU A 77 9.627 -0.400 9.158 1.00 0.00 H new ATOM 1193 N ASP A 78 14.096 -2.022 11.019 1.00 0.00 N ATOM 1194 CA ASP A 78 15.138 -2.848 11.623 1.00 0.00 C ATOM 1195 C ASP A 78 16.523 -2.324 11.245 1.00 0.00 C ATOM 1196 O ASP A 78 17.450 -2.322 12.064 1.00 0.00 O ATOM 1197 CB ASP A 78 14.972 -4.303 11.158 1.00 0.00 C ATOM 1198 CG ASP A 78 16.073 -5.223 11.665 1.00 0.00 C ATOM 1199 OD1 ASP A 78 15.927 -5.782 12.773 1.00 0.00 O ATOM 1200 OD2 ASP A 78 17.074 -5.417 10.945 1.00 0.00 O ATOM 0 H ASP A 78 13.603 -2.472 10.247 1.00 0.00 H new ATOM 0 HA ASP A 78 15.043 -2.805 12.708 1.00 0.00 H new ATOM 0 HB2 ASP A 78 14.007 -4.679 11.499 1.00 0.00 H new ATOM 0 HB3 ASP A 78 14.958 -4.330 10.068 1.00 0.00 H new ATOM 1205 N GLY A 79 16.645 -1.855 10.005 1.00 0.00 N ATOM 1206 CA GLY A 79 17.920 -1.384 9.489 1.00 0.00 C ATOM 1207 C GLY A 79 17.918 0.105 9.201 1.00 0.00 C ATOM 1208 O GLY A 79 18.390 0.541 8.149 1.00 0.00 O ATOM 0 H GLY A 79 15.873 -1.793 9.341 1.00 0.00 H new ATOM 0 HA2 GLY A 79 18.705 -1.610 10.210 1.00 0.00 H new ATOM 0 HA3 GLY A 79 18.161 -1.927 8.575 1.00 0.00 H new