USER MOD reduce.3.24.130724 H: found=0, std=0, add=623, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 623 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 53 SER OG : rot -52:sc= 1.25 USER MOD Set 1.2: A 55 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 37 ASN : amide:sc= 0.914 K(o=2.3,f=1.6) USER MOD Set 2.2: A 42 THR OG1 : rot -78:sc= 1.43 USER MOD Set 3.1: A 17 CYS SG : rot -150:sc= -0.546 USER MOD Set 3.2: A 66 TYR OH : rot -63:sc= 0.0638 USER MOD Single : A 1 VAL N :NH3+ 180:sc=-0.000842 (180deg=-0.000842) USER MOD Single : A 2 THR OG1 : rot 108:sc= 1.24 USER MOD Single : A 4 LYS NZ :NH3+ -122:sc= 1.13 (180deg=-0.789) USER MOD Single : A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot -149:sc= 1.26 USER MOD Single : A 14 CYS SG : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= -1.2! K(o=-1.2!,f=-0.24) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= -0.0145 X(o=-0.014,f=-0.014) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= -0.352 X(o=-0.35,f=-0.16) USER MOD Single : A 44 THR OG1 : rot -106:sc= 1.28 USER MOD Single : A 47 TYR OH : rot 180:sc= -0.29 USER MOD Single : A 48 ASN : amide:sc= -0.423 K(o=-0.42,f=-8.7!) USER MOD Single : A 50 LYS NZ :NH3+ -150:sc= 0.438 (180deg=-2.98!) USER MOD Single : A 58 LYS NZ :NH3+ 165:sc= 0.802 (180deg=0.163) USER MOD Single : A 63 LYS NZ :NH3+ -123:sc= 1.16 (180deg=-0.079) USER MOD Single : A 67 LYS NZ :NH3+ 170:sc= -0.34 (180deg=-0.462) USER MOD Single : A 69 LYS NZ :NH3+ -162:sc=-0.00971 (180deg=-0.135) USER MOD Single : A 71 LYS NZ :NH3+ 168:sc= 1.21 (180deg=0.637) USER MOD Single : A 74 GLN : amide:sc= -0.514 X(o=-0.51,f=-0.79) USER MOD Single : A 76 SER OG : rot -92:sc= 0.697 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -9.430 12.780 9.480 1.00 10.00 N ATOM 2 CA VAL A 1 -9.059 11.552 10.202 1.00 10.00 C ATOM 3 C VAL A 1 -7.955 10.816 9.440 1.00 10.00 C ATOM 4 O VAL A 1 -6.825 10.761 9.917 1.00 10.00 O ATOM 5 CB VAL A 1 -10.294 10.693 10.552 1.00 10.00 C ATOM 6 CG1 VAL A 1 -11.244 10.377 9.384 1.00 10.00 C ATOM 7 CG2 VAL A 1 -9.874 9.384 11.226 1.00 10.00 C ATOM 0 H1 VAL A 1 -10.180 13.276 10.002 1.00 10.00 H new ATOM 0 H2 VAL A 1 -8.598 13.399 9.397 1.00 10.00 H new ATOM 0 H3 VAL A 1 -9.774 12.534 8.530 1.00 10.00 H new ATOM 0 HA VAL A 1 -8.638 11.811 11.174 1.00 10.00 H new ATOM 0 HB VAL A 1 -10.865 11.323 11.234 1.00 10.00 H new ATOM 0 HG11 VAL A 1 -12.074 9.770 9.744 1.00 10.00 H new ATOM 0 HG12 VAL A 1 -11.629 11.307 8.967 1.00 10.00 H new ATOM 0 HG13 VAL A 1 -10.702 9.830 8.612 1.00 10.00 H new ATOM 0 HG21 VAL A 1 -10.761 8.796 11.463 1.00 10.00 H new ATOM 0 HG22 VAL A 1 -9.232 8.817 10.552 1.00 10.00 H new ATOM 0 HG23 VAL A 1 -9.330 9.606 12.144 1.00 10.00 H new ATOM 19 N THR A 2 -8.260 10.326 8.239 1.00 10.00 N ATOM 20 CA THR A 2 -7.338 9.632 7.359 1.00 10.00 C ATOM 21 C THR A 2 -7.662 10.055 5.925 1.00 10.00 C ATOM 22 O THR A 2 -8.745 10.586 5.657 1.00 10.00 O ATOM 23 CB THR A 2 -7.476 8.115 7.559 1.00 10.00 C ATOM 24 OG1 THR A 2 -8.834 7.784 7.770 1.00 10.00 O ATOM 25 CG2 THR A 2 -6.667 7.644 8.771 1.00 10.00 C ATOM 0 H THR A 2 -9.196 10.408 7.842 1.00 10.00 H new ATOM 0 HA THR A 2 -6.302 9.889 7.581 1.00 10.00 H new ATOM 0 HB THR A 2 -7.097 7.622 6.663 1.00 10.00 H new ATOM 0 HG1 THR A 2 -9.186 7.326 6.978 1.00 10.00 H new ATOM 0 HG21 THR A 2 -6.783 6.567 8.889 1.00 10.00 H new ATOM 0 HG22 THR A 2 -5.614 7.882 8.620 1.00 10.00 H new ATOM 0 HG23 THR A 2 -7.028 8.148 9.668 1.00 10.00 H new ATOM 33 N GLU A 3 -6.686 9.880 5.035 1.00 10.00 N ATOM 34 CA GLU A 3 -6.633 10.427 3.698 1.00 10.00 C ATOM 35 C GLU A 3 -6.516 9.264 2.712 1.00 10.00 C ATOM 36 O GLU A 3 -5.943 8.223 3.040 1.00 10.00 O ATOM 37 CB GLU A 3 -5.411 11.348 3.649 1.00 10.00 C ATOM 38 CG GLU A 3 -5.469 12.392 2.535 1.00 10.00 C ATOM 39 CD GLU A 3 -4.335 13.390 2.726 1.00 10.00 C ATOM 40 OE1 GLU A 3 -4.468 14.210 3.659 1.00 10.00 O ATOM 41 OE2 GLU A 3 -3.340 13.280 1.980 1.00 10.00 O ATOM 0 H GLU A 3 -5.864 9.316 5.251 1.00 10.00 H new ATOM 0 HA GLU A 3 -7.523 10.998 3.434 1.00 10.00 H new ATOM 0 HB2 GLU A 3 -5.314 11.858 4.607 1.00 10.00 H new ATOM 0 HB3 GLU A 3 -4.515 10.741 3.519 1.00 10.00 H new ATOM 0 HG2 GLU A 3 -5.384 11.908 1.562 1.00 10.00 H new ATOM 0 HG3 GLU A 3 -6.430 12.907 2.552 1.00 10.00 H new ATOM 48 N LYS A 4 -7.095 9.439 1.523 1.00 10.00 N ATOM 49 CA LYS A 4 -7.120 8.436 0.467 1.00 10.00 C ATOM 50 C LYS A 4 -5.869 8.616 -0.382 1.00 10.00 C ATOM 51 O LYS A 4 -5.581 9.736 -0.798 1.00 10.00 O ATOM 52 CB LYS A 4 -8.379 8.627 -0.401 1.00 10.00 C ATOM 53 CG LYS A 4 -9.545 7.726 0.025 1.00 10.00 C ATOM 54 CD LYS A 4 -10.042 7.965 1.451 1.00 10.00 C ATOM 55 CE LYS A 4 -10.964 9.173 1.621 1.00 10.00 C ATOM 56 NZ LYS A 4 -11.220 9.405 3.058 1.00 10.00 N ATOM 0 H LYS A 4 -7.570 10.304 1.265 1.00 10.00 H new ATOM 0 HA LYS A 4 -7.144 7.433 0.894 1.00 10.00 H new ATOM 0 HB2 LYS A 4 -8.695 9.669 -0.349 1.00 10.00 H new ATOM 0 HB3 LYS A 4 -8.130 8.421 -1.442 1.00 10.00 H new ATOM 0 HG2 LYS A 4 -10.375 7.876 -0.666 1.00 10.00 H new ATOM 0 HG3 LYS A 4 -9.236 6.685 -0.069 1.00 10.00 H new ATOM 0 HD2 LYS A 4 -10.570 7.074 1.790 1.00 10.00 H new ATOM 0 HD3 LYS A 4 -9.179 8.091 2.104 1.00 10.00 H new ATOM 0 HE2 LYS A 4 -10.507 10.057 1.176 1.00 10.00 H new ATOM 0 HE3 LYS A 4 -11.904 9.002 1.097 1.00 10.00 H new ATOM 0 HZ1 LYS A 4 -12.243 9.366 3.239 1.00 10.00 H new ATOM 0 HZ2 LYS A 4 -10.741 8.672 3.619 1.00 10.00 H new ATOM 0 HZ3 LYS A 4 -10.856 10.341 3.329 1.00 10.00 H new ATOM 70 N ALA A 5 -5.136 7.531 -0.650 1.00 10.00 N ATOM 71 CA ALA A 5 -3.922 7.592 -1.446 1.00 10.00 C ATOM 72 C ALA A 5 -3.797 6.312 -2.274 1.00 10.00 C ATOM 73 O ALA A 5 -4.044 5.230 -1.737 1.00 10.00 O ATOM 74 CB ALA A 5 -2.742 7.790 -0.495 1.00 10.00 C ATOM 0 H ALA A 5 -5.371 6.595 -0.320 1.00 10.00 H new ATOM 0 HA ALA A 5 -3.942 8.427 -2.147 1.00 10.00 H new ATOM 0 HB1 ALA A 5 -1.817 7.839 -1.069 1.00 10.00 H new ATOM 0 HB2 ALA A 5 -2.874 8.718 0.061 1.00 10.00 H new ATOM 0 HB3 ALA A 5 -2.693 6.954 0.202 1.00 10.00 H new ATOM 80 N GLU A 6 -3.438 6.416 -3.561 1.00 10.00 N ATOM 81 CA GLU A 6 -3.281 5.272 -4.444 1.00 10.00 C ATOM 82 C GLU A 6 -1.887 5.209 -5.033 1.00 10.00 C ATOM 83 O GLU A 6 -1.257 6.243 -5.267 1.00 10.00 O ATOM 84 CB GLU A 6 -4.284 5.305 -5.593 1.00 10.00 C ATOM 85 CG GLU A 6 -5.632 4.756 -5.137 1.00 10.00 C ATOM 86 CD GLU A 6 -6.382 4.037 -6.246 1.00 10.00 C ATOM 87 OE1 GLU A 6 -6.309 4.507 -7.400 1.00 10.00 O ATOM 88 OE2 GLU A 6 -6.996 3.001 -5.907 1.00 10.00 O ATOM 0 H GLU A 6 -3.249 7.310 -4.015 1.00 10.00 H new ATOM 0 HA GLU A 6 -3.459 4.390 -3.829 1.00 10.00 H new ATOM 0 HB2 GLU A 6 -4.403 6.328 -5.951 1.00 10.00 H new ATOM 0 HB3 GLU A 6 -3.908 4.716 -6.429 1.00 10.00 H new ATOM 0 HG2 GLU A 6 -5.476 4.069 -4.305 1.00 10.00 H new ATOM 0 HG3 GLU A 6 -6.245 5.576 -4.763 1.00 10.00 H new ATOM 95 N PHE A 7 -1.456 3.972 -5.290 1.00 10.00 N ATOM 96 CA PHE A 7 -0.100 3.622 -5.669 1.00 10.00 C ATOM 97 C PHE A 7 -0.121 2.610 -6.818 1.00 10.00 C ATOM 98 O PHE A 7 -0.925 1.674 -6.790 1.00 10.00 O ATOM 99 CB PHE A 7 0.656 3.062 -4.448 1.00 10.00 C ATOM 100 CG PHE A 7 0.579 3.870 -3.174 1.00 10.00 C ATOM 101 CD1 PHE A 7 -0.595 3.842 -2.407 1.00 10.00 C ATOM 102 CD2 PHE A 7 1.711 4.550 -2.692 1.00 10.00 C ATOM 103 CE1 PHE A 7 -0.718 4.672 -1.284 1.00 10.00 C ATOM 104 CE2 PHE A 7 1.613 5.321 -1.524 1.00 10.00 C ATOM 105 CZ PHE A 7 0.385 5.422 -0.847 1.00 10.00 C ATOM 0 H PHE A 7 -2.072 3.161 -5.236 1.00 10.00 H new ATOM 0 HA PHE A 7 0.422 4.514 -6.014 1.00 10.00 H new ATOM 0 HB2 PHE A 7 0.274 2.062 -4.241 1.00 10.00 H new ATOM 0 HB3 PHE A 7 1.706 2.953 -4.719 1.00 10.00 H new ATOM 0 HD1 PHE A 7 -1.404 3.181 -2.682 1.00 10.00 H new ATOM 0 HD2 PHE A 7 2.651 4.479 -3.218 1.00 10.00 H new ATOM 0 HE1 PHE A 7 -1.658 4.734 -0.757 1.00 10.00 H new ATOM 0 HE2 PHE A 7 2.482 5.838 -1.144 1.00 10.00 H new ATOM 0 HZ PHE A 7 0.291 6.075 0.008 1.00 10.00 H new ATOM 115 N ASP A 8 0.765 2.796 -7.805 1.00 10.00 N ATOM 116 CA ASP A 8 0.919 1.936 -8.972 1.00 10.00 C ATOM 117 C ASP A 8 2.021 0.919 -8.636 1.00 10.00 C ATOM 118 O ASP A 8 3.005 1.280 -7.981 1.00 10.00 O ATOM 119 CB ASP A 8 1.322 2.801 -10.183 1.00 10.00 C ATOM 120 CG ASP A 8 0.211 3.201 -11.158 1.00 10.00 C ATOM 121 OD1 ASP A 8 -0.983 2.882 -10.956 1.00 10.00 O ATOM 122 OD2 ASP A 8 0.529 3.920 -12.131 1.00 10.00 O ATOM 0 H ASP A 8 1.416 3.581 -7.807 1.00 10.00 H new ATOM 0 HA ASP A 8 -0.007 1.417 -9.220 1.00 10.00 H new ATOM 0 HB2 ASP A 8 1.786 3.713 -9.807 1.00 10.00 H new ATOM 0 HB3 ASP A 8 2.086 2.262 -10.744 1.00 10.00 H new ATOM 127 N ILE A 9 1.822 -0.353 -9.007 1.00 10.00 N ATOM 128 CA ILE A 9 2.597 -1.496 -8.531 1.00 10.00 C ATOM 129 C ILE A 9 3.484 -2.069 -9.634 1.00 10.00 C ATOM 130 O ILE A 9 3.000 -2.329 -10.733 1.00 10.00 O ATOM 131 CB ILE A 9 1.628 -2.587 -8.026 1.00 10.00 C ATOM 132 CG1 ILE A 9 0.424 -2.012 -7.269 1.00 10.00 C ATOM 133 CG2 ILE A 9 2.359 -3.569 -7.111 1.00 10.00 C ATOM 134 CD1 ILE A 9 0.861 -1.095 -6.141 1.00 10.00 C ATOM 0 H ILE A 9 1.092 -0.618 -9.668 1.00 10.00 H new ATOM 0 HA ILE A 9 3.245 -1.160 -7.721 1.00 10.00 H new ATOM 0 HB ILE A 9 1.255 -3.097 -8.914 1.00 10.00 H new ATOM 0 HG12 ILE A 9 -0.213 -1.461 -7.961 1.00 10.00 H new ATOM 0 HG13 ILE A 9 -0.176 -2.827 -6.865 1.00 10.00 H new ATOM 0 HG21 ILE A 9 1.661 -4.331 -6.764 1.00 10.00 H new ATOM 0 HG22 ILE A 9 3.171 -4.044 -7.662 1.00 10.00 H new ATOM 0 HG23 ILE A 9 2.767 -3.033 -6.254 1.00 10.00 H new ATOM 0 HD11 ILE A 9 -0.018 -0.706 -5.627 1.00 10.00 H new ATOM 0 HD12 ILE A 9 1.476 -1.654 -5.436 1.00 10.00 H new ATOM 0 HD13 ILE A 9 1.439 -0.266 -6.549 1.00 10.00 H new ATOM 146 N GLU A 10 4.762 -2.313 -9.323 1.00 10.00 N ATOM 147 CA GLU A 10 5.716 -2.916 -10.228 1.00 10.00 C ATOM 148 C GLU A 10 6.326 -4.163 -9.578 1.00 10.00 C ATOM 149 O GLU A 10 7.325 -4.067 -8.857 1.00 10.00 O ATOM 150 CB GLU A 10 6.793 -1.876 -10.548 1.00 10.00 C ATOM 151 CG GLU A 10 6.257 -0.729 -11.414 1.00 10.00 C ATOM 152 CD GLU A 10 7.369 0.258 -11.742 1.00 10.00 C ATOM 153 OE1 GLU A 10 8.052 0.680 -10.781 1.00 10.00 O ATOM 154 OE2 GLU A 10 7.542 0.547 -12.945 1.00 10.00 O ATOM 0 H GLU A 10 5.160 -2.087 -8.411 1.00 10.00 H new ATOM 0 HA GLU A 10 5.230 -3.227 -11.153 1.00 10.00 H new ATOM 0 HB2 GLU A 10 7.191 -1.470 -9.618 1.00 10.00 H new ATOM 0 HB3 GLU A 10 7.621 -2.361 -11.064 1.00 10.00 H new ATOM 0 HG2 GLU A 10 5.834 -1.129 -12.336 1.00 10.00 H new ATOM 0 HG3 GLU A 10 5.451 -0.216 -10.890 1.00 10.00 H new ATOM 161 N GLY A 11 5.746 -5.336 -9.863 1.00 10.00 N ATOM 162 CA GLY A 11 6.386 -6.617 -9.596 1.00 10.00 C ATOM 163 C GLY A 11 5.404 -7.790 -9.597 1.00 10.00 C ATOM 164 O GLY A 11 5.472 -8.631 -10.490 1.00 10.00 O ATOM 0 H GLY A 11 4.821 -5.417 -10.285 1.00 10.00 H new ATOM 0 HA2 GLY A 11 7.156 -6.795 -10.346 1.00 10.00 H new ATOM 0 HA3 GLY A 11 6.887 -6.571 -8.629 1.00 10.00 H new ATOM 168 N MET A 12 4.527 -7.881 -8.590 1.00 10.00 N ATOM 169 CA MET A 12 3.634 -9.024 -8.407 1.00 10.00 C ATOM 170 C MET A 12 2.339 -8.565 -7.727 1.00 10.00 C ATOM 171 O MET A 12 2.379 -7.728 -6.824 1.00 10.00 O ATOM 172 CB MET A 12 4.356 -10.143 -7.635 1.00 10.00 C ATOM 173 CG MET A 12 4.864 -9.682 -6.264 1.00 10.00 C ATOM 174 SD MET A 12 5.738 -10.910 -5.262 1.00 10.00 S ATOM 175 CE MET A 12 7.341 -10.929 -6.092 1.00 10.00 C ATOM 0 H MET A 12 4.419 -7.159 -7.878 1.00 10.00 H new ATOM 0 HA MET A 12 3.357 -9.442 -9.375 1.00 10.00 H new ATOM 0 HB2 MET A 12 3.676 -10.984 -7.502 1.00 10.00 H new ATOM 0 HB3 MET A 12 5.197 -10.503 -8.227 1.00 10.00 H new ATOM 0 HG2 MET A 12 5.529 -8.832 -6.417 1.00 10.00 H new ATOM 0 HG3 MET A 12 4.011 -9.320 -5.690 1.00 10.00 H new ATOM 0 HE1 MET A 12 8.000 -11.640 -5.594 1.00 10.00 H new ATOM 0 HE2 MET A 12 7.208 -11.225 -7.133 1.00 10.00 H new ATOM 0 HE3 MET A 12 7.784 -9.934 -6.051 1.00 10.00 H new ATOM 185 N THR A 13 1.197 -9.059 -8.211 1.00 10.00 N ATOM 186 CA THR A 13 -0.105 -8.412 -8.066 1.00 10.00 C ATOM 187 C THR A 13 -1.237 -9.454 -8.004 1.00 10.00 C ATOM 188 O THR A 13 -2.357 -9.196 -8.438 1.00 10.00 O ATOM 189 CB THR A 13 -0.264 -7.499 -9.296 1.00 10.00 C ATOM 190 OG1 THR A 13 0.133 -8.229 -10.444 1.00 10.00 O ATOM 191 CG2 THR A 13 0.613 -6.245 -9.194 1.00 10.00 C ATOM 0 H THR A 13 1.153 -9.939 -8.725 1.00 10.00 H new ATOM 0 HA THR A 13 -0.162 -7.842 -7.138 1.00 10.00 H new ATOM 0 HB THR A 13 -1.305 -7.183 -9.356 1.00 10.00 H new ATOM 0 HG1 THR A 13 0.516 -7.616 -11.105 1.00 10.00 H new ATOM 0 HG21 THR A 13 0.471 -5.628 -10.082 1.00 10.00 H new ATOM 0 HG22 THR A 13 0.332 -5.676 -8.308 1.00 10.00 H new ATOM 0 HG23 THR A 13 1.660 -6.538 -9.120 1.00 10.00 H new ATOM 199 N CYS A 14 -0.944 -10.648 -7.481 1.00 10.00 N ATOM 200 CA CYS A 14 -1.707 -11.858 -7.780 1.00 10.00 C ATOM 201 C CYS A 14 -2.844 -12.043 -6.787 1.00 10.00 C ATOM 202 O CYS A 14 -4.010 -12.019 -7.160 1.00 10.00 O ATOM 203 CB CYS A 14 -0.789 -13.090 -7.762 1.00 10.00 C ATOM 204 SG CYS A 14 0.337 -13.058 -9.176 1.00 10.00 S ATOM 0 H CYS A 14 -0.168 -10.801 -6.837 1.00 10.00 H new ATOM 0 HA CYS A 14 -2.134 -11.748 -8.777 1.00 10.00 H new ATOM 0 HB2 CYS A 14 -0.217 -13.112 -6.834 1.00 10.00 H new ATOM 0 HB3 CYS A 14 -1.390 -13.999 -7.788 1.00 10.00 H new ATOM 0 HG CYS A 14 1.106 -14.106 -9.142 1.00 10.00 H new ATOM 210 N ALA A 15 -2.494 -12.272 -5.518 1.00 10.00 N ATOM 211 CA ALA A 15 -3.445 -12.531 -4.446 1.00 10.00 C ATOM 212 C ALA A 15 -2.715 -12.554 -3.112 1.00 10.00 C ATOM 213 O ALA A 15 -2.897 -11.656 -2.304 1.00 10.00 O ATOM 214 CB ALA A 15 -4.223 -13.833 -4.677 1.00 10.00 C ATOM 0 H ALA A 15 -1.523 -12.282 -5.207 1.00 10.00 H new ATOM 0 HA ALA A 15 -4.180 -11.726 -4.435 1.00 10.00 H new ATOM 0 HB1 ALA A 15 -4.922 -13.990 -3.855 1.00 10.00 H new ATOM 0 HB2 ALA A 15 -4.775 -13.766 -5.615 1.00 10.00 H new ATOM 0 HB3 ALA A 15 -3.526 -14.670 -4.725 1.00 10.00 H new ATOM 220 N ALA A 16 -1.862 -13.553 -2.874 1.00 10.00 N ATOM 221 CA ALA A 16 -1.227 -13.749 -1.578 1.00 10.00 C ATOM 222 C ALA A 16 -0.160 -12.680 -1.367 1.00 10.00 C ATOM 223 O ALA A 16 -0.008 -12.138 -0.273 1.00 10.00 O ATOM 224 CB ALA A 16 -0.620 -15.153 -1.526 1.00 10.00 C ATOM 0 H ALA A 16 -1.596 -14.244 -3.575 1.00 10.00 H new ATOM 0 HA ALA A 16 -1.963 -13.658 -0.779 1.00 10.00 H new ATOM 0 HB1 ALA A 16 -0.143 -15.307 -0.558 1.00 10.00 H new ATOM 0 HB2 ALA A 16 -1.406 -15.895 -1.665 1.00 10.00 H new ATOM 0 HB3 ALA A 16 0.122 -15.258 -2.318 1.00 10.00 H new ATOM 230 N CYS A 17 0.576 -12.356 -2.434 1.00 10.00 N ATOM 231 CA CYS A 17 1.577 -11.310 -2.361 1.00 10.00 C ATOM 232 C CYS A 17 0.912 -9.981 -1.984 1.00 10.00 C ATOM 233 O CYS A 17 1.317 -9.333 -1.020 1.00 10.00 O ATOM 234 CB CYS A 17 2.431 -11.247 -3.635 1.00 10.00 C ATOM 235 SG CYS A 17 1.563 -10.472 -5.019 1.00 10.00 S ATOM 0 H CYS A 17 0.492 -12.803 -3.347 1.00 10.00 H new ATOM 0 HA CYS A 17 2.287 -11.543 -1.568 1.00 10.00 H new ATOM 0 HB2 CYS A 17 3.345 -10.691 -3.428 1.00 10.00 H new ATOM 0 HB3 CYS A 17 2.729 -12.257 -3.918 1.00 10.00 H new ATOM 0 HG CYS A 17 1.994 -10.975 -6.138 1.00 10.00 H new ATOM 241 N ALA A 18 -0.173 -9.639 -2.688 1.00 10.00 N ATOM 242 CA ALA A 18 -1.007 -8.486 -2.394 1.00 10.00 C ATOM 243 C ALA A 18 -1.526 -8.586 -0.961 1.00 10.00 C ATOM 244 O ALA A 18 -1.491 -7.621 -0.209 1.00 10.00 O ATOM 245 CB ALA A 18 -2.146 -8.408 -3.411 1.00 10.00 C ATOM 0 H ALA A 18 -0.496 -10.173 -3.495 1.00 10.00 H new ATOM 0 HA ALA A 18 -0.426 -7.567 -2.474 1.00 10.00 H new ATOM 0 HB1 ALA A 18 -2.772 -7.543 -3.191 1.00 10.00 H new ATOM 0 HB2 ALA A 18 -1.732 -8.310 -4.414 1.00 10.00 H new ATOM 0 HB3 ALA A 18 -2.748 -9.315 -3.354 1.00 10.00 H new ATOM 251 N ASN A 19 -1.969 -9.776 -0.564 1.00 10.00 N ATOM 252 CA ASN A 19 -2.504 -10.001 0.773 1.00 10.00 C ATOM 253 C ASN A 19 -1.493 -9.588 1.844 1.00 10.00 C ATOM 254 O ASN A 19 -1.858 -8.964 2.836 1.00 10.00 O ATOM 255 CB ASN A 19 -2.923 -11.466 0.974 1.00 10.00 C ATOM 256 CG ASN A 19 -3.872 -11.677 2.151 1.00 10.00 C ATOM 257 OD1 ASN A 19 -4.520 -12.715 2.234 1.00 10.00 O ATOM 258 ND2 ASN A 19 -3.991 -10.712 3.055 1.00 10.00 N ATOM 0 H ASN A 19 -1.967 -10.606 -1.157 1.00 10.00 H new ATOM 0 HA ASN A 19 -3.393 -9.379 0.875 1.00 10.00 H new ATOM 0 HB2 ASN A 19 -3.402 -11.826 0.063 1.00 10.00 H new ATOM 0 HB3 ASN A 19 -2.030 -12.073 1.125 1.00 10.00 H new ATOM 0 HD21 ASN A 19 -4.632 -10.825 3.840 1.00 10.00 H new ATOM 0 HD22 ASN A 19 -3.441 -9.858 2.964 1.00 10.00 H new ATOM 265 N ARG A 20 -0.219 -9.933 1.661 1.00 10.00 N ATOM 266 CA ARG A 20 0.836 -9.649 2.613 1.00 10.00 C ATOM 267 C ARG A 20 0.922 -8.139 2.836 1.00 10.00 C ATOM 268 O ARG A 20 1.156 -7.700 3.964 1.00 10.00 O ATOM 269 CB ARG A 20 2.136 -10.283 2.098 1.00 10.00 C ATOM 270 CG ARG A 20 3.147 -10.621 3.206 1.00 10.00 C ATOM 271 CD ARG A 20 3.971 -11.838 2.761 1.00 10.00 C ATOM 272 NE ARG A 20 5.086 -12.127 3.674 1.00 10.00 N ATOM 273 CZ ARG A 20 5.935 -13.159 3.519 1.00 10.00 C ATOM 274 NH1 ARG A 20 5.780 -13.995 2.486 1.00 10.00 N ATOM 275 NH2 ARG A 20 6.928 -13.351 4.394 1.00 10.00 N ATOM 0 H ARG A 20 0.107 -10.426 0.830 1.00 10.00 H new ATOM 0 HA ARG A 20 0.634 -10.086 3.591 1.00 10.00 H new ATOM 0 HB2 ARG A 20 1.893 -11.194 1.552 1.00 10.00 H new ATOM 0 HB3 ARG A 20 2.605 -9.601 1.388 1.00 10.00 H new ATOM 0 HG2 ARG A 20 3.801 -9.770 3.394 1.00 10.00 H new ATOM 0 HG3 ARG A 20 2.627 -10.837 4.140 1.00 10.00 H new ATOM 0 HD2 ARG A 20 3.320 -12.710 2.700 1.00 10.00 H new ATOM 0 HD3 ARG A 20 4.362 -11.661 1.759 1.00 10.00 H new ATOM 0 HE ARG A 20 5.224 -11.508 4.473 1.00 10.00 H new ATOM 0 HH11 ARG A 20 5.021 -13.848 1.821 1.00 10.00 H new ATOM 0 HH12 ARG A 20 6.421 -14.779 2.364 1.00 10.00 H new ATOM 0 HH21 ARG A 20 7.044 -12.714 5.182 1.00 10.00 H new ATOM 0 HH22 ARG A 20 7.570 -14.135 4.273 1.00 10.00 H new ATOM 289 N ILE A 21 0.668 -7.347 1.784 1.00 10.00 N ATOM 290 CA ILE A 21 0.542 -5.904 1.912 1.00 10.00 C ATOM 291 C ILE A 21 -0.456 -5.529 2.999 1.00 10.00 C ATOM 292 O ILE A 21 -0.150 -4.619 3.752 1.00 10.00 O ATOM 293 CB ILE A 21 0.183 -5.204 0.589 1.00 10.00 C ATOM 294 CG1 ILE A 21 1.060 -5.646 -0.584 1.00 10.00 C ATOM 295 CG2 ILE A 21 0.257 -3.683 0.749 1.00 10.00 C ATOM 296 CD1 ILE A 21 2.553 -5.637 -0.241 1.00 10.00 C ATOM 0 H ILE A 21 0.547 -7.693 0.832 1.00 10.00 H new ATOM 0 HA ILE A 21 1.530 -5.545 2.200 1.00 10.00 H new ATOM 0 HB ILE A 21 -0.839 -5.502 0.353 1.00 10.00 H new ATOM 0 HG12 ILE A 21 0.768 -6.650 -0.893 1.00 10.00 H new ATOM 0 HG13 ILE A 21 0.882 -4.987 -1.434 1.00 10.00 H new ATOM 0 HG21 ILE A 21 0.000 -3.205 -0.196 1.00 10.00 H new ATOM 0 HG22 ILE A 21 -0.445 -3.364 1.520 1.00 10.00 H new ATOM 0 HG23 ILE A 21 1.268 -3.396 1.038 1.00 10.00 H new ATOM 0 HD11 ILE A 21 3.128 -5.959 -1.109 1.00 10.00 H new ATOM 0 HD12 ILE A 21 2.856 -4.628 0.041 1.00 10.00 H new ATOM 0 HD13 ILE A 21 2.739 -6.317 0.590 1.00 10.00 H new ATOM 308 N GLU A 22 -1.611 -6.193 3.127 1.00 10.00 N ATOM 309 CA GLU A 22 -2.593 -5.818 4.141 1.00 10.00 C ATOM 310 C GLU A 22 -1.941 -5.728 5.519 1.00 10.00 C ATOM 311 O GLU A 22 -2.081 -4.725 6.210 1.00 10.00 O ATOM 312 CB GLU A 22 -3.761 -6.808 4.194 1.00 10.00 C ATOM 313 CG GLU A 22 -4.580 -6.851 2.899 1.00 10.00 C ATOM 314 CD GLU A 22 -5.813 -7.733 3.071 1.00 10.00 C ATOM 315 OE1 GLU A 22 -5.688 -8.760 3.778 1.00 10.00 O ATOM 316 OE2 GLU A 22 -6.860 -7.359 2.504 1.00 10.00 O ATOM 0 H GLU A 22 -1.883 -6.985 2.545 1.00 10.00 H new ATOM 0 HA GLU A 22 -2.983 -4.840 3.860 1.00 10.00 H new ATOM 0 HB2 GLU A 22 -3.374 -7.805 4.404 1.00 10.00 H new ATOM 0 HB3 GLU A 22 -4.417 -6.540 5.022 1.00 10.00 H new ATOM 0 HG2 GLU A 22 -4.884 -5.842 2.621 1.00 10.00 H new ATOM 0 HG3 GLU A 22 -3.964 -7.233 2.085 1.00 10.00 H new ATOM 323 N LYS A 23 -1.195 -6.765 5.910 1.00 10.00 N ATOM 324 CA LYS A 23 -0.495 -6.803 7.179 1.00 10.00 C ATOM 325 C LYS A 23 0.658 -5.804 7.163 1.00 10.00 C ATOM 326 O LYS A 23 0.848 -5.052 8.120 1.00 10.00 O ATOM 327 CB LYS A 23 -0.038 -8.238 7.483 1.00 10.00 C ATOM 328 CG LYS A 23 -1.044 -8.889 8.443 1.00 10.00 C ATOM 329 CD LYS A 23 -0.757 -10.371 8.722 1.00 10.00 C ATOM 330 CE LYS A 23 -1.224 -11.259 7.559 1.00 10.00 C ATOM 331 NZ LYS A 23 -1.149 -12.697 7.893 1.00 10.00 N ATOM 0 H LYS A 23 -1.064 -7.604 5.344 1.00 10.00 H new ATOM 0 HA LYS A 23 -1.164 -6.506 7.986 1.00 10.00 H new ATOM 0 HB2 LYS A 23 0.030 -8.815 6.561 1.00 10.00 H new ATOM 0 HB3 LYS A 23 0.957 -8.230 7.928 1.00 10.00 H new ATOM 0 HG2 LYS A 23 -1.039 -8.343 9.386 1.00 10.00 H new ATOM 0 HG3 LYS A 23 -2.046 -8.794 8.025 1.00 10.00 H new ATOM 0 HD2 LYS A 23 0.312 -10.512 8.884 1.00 10.00 H new ATOM 0 HD3 LYS A 23 -1.261 -10.675 9.639 1.00 10.00 H new ATOM 0 HE2 LYS A 23 -2.250 -11.001 7.296 1.00 10.00 H new ATOM 0 HE3 LYS A 23 -0.610 -11.059 6.681 1.00 10.00 H new ATOM 0 HZ1 LYS A 23 -1.473 -13.259 7.081 1.00 10.00 H new ATOM 0 HZ2 LYS A 23 -0.166 -12.950 8.119 1.00 10.00 H new ATOM 0 HZ3 LYS A 23 -1.755 -12.895 8.715 1.00 10.00 H new ATOM 345 N ARG A 24 1.439 -5.786 6.078 1.00 10.00 N ATOM 346 CA ARG A 24 2.599 -4.908 6.022 1.00 10.00 C ATOM 347 C ARG A 24 2.208 -3.421 6.111 1.00 10.00 C ATOM 348 O ARG A 24 2.964 -2.633 6.677 1.00 10.00 O ATOM 349 CB ARG A 24 3.483 -5.284 4.818 1.00 10.00 C ATOM 350 CG ARG A 24 4.766 -5.990 5.293 1.00 10.00 C ATOM 351 CD ARG A 24 5.791 -4.949 5.760 1.00 10.00 C ATOM 352 NE ARG A 24 6.915 -5.525 6.518 1.00 10.00 N ATOM 353 CZ ARG A 24 8.069 -4.869 6.752 1.00 10.00 C ATOM 354 NH1 ARG A 24 8.209 -3.614 6.313 1.00 10.00 N ATOM 355 NH2 ARG A 24 9.052 -5.454 7.443 1.00 10.00 N ATOM 0 H ARG A 24 1.290 -6.358 5.247 1.00 10.00 H new ATOM 0 HA ARG A 24 3.215 -5.061 6.908 1.00 10.00 H new ATOM 0 HB2 ARG A 24 2.930 -5.937 4.143 1.00 10.00 H new ATOM 0 HB3 ARG A 24 3.741 -4.387 4.254 1.00 10.00 H new ATOM 0 HG2 ARG A 24 4.534 -6.676 6.108 1.00 10.00 H new ATOM 0 HG3 ARG A 24 5.184 -6.587 4.483 1.00 10.00 H new ATOM 0 HD2 ARG A 24 6.183 -4.422 4.890 1.00 10.00 H new ATOM 0 HD3 ARG A 24 5.287 -4.208 6.381 1.00 10.00 H new ATOM 0 HE ARG A 24 6.815 -6.471 6.886 1.00 10.00 H new ATOM 0 HH11 ARG A 24 7.447 -3.163 5.807 1.00 10.00 H new ATOM 0 HH12 ARG A 24 9.078 -3.108 6.484 1.00 10.00 H new ATOM 0 HH21 ARG A 24 8.932 -6.403 7.797 1.00 10.00 H new ATOM 0 HH22 ARG A 24 9.923 -4.952 7.616 1.00 10.00 H new ATOM 369 N LEU A 25 1.025 -3.051 5.609 1.00 10.00 N ATOM 370 CA LEU A 25 0.432 -1.727 5.743 1.00 10.00 C ATOM 371 C LEU A 25 -0.198 -1.565 7.121 1.00 10.00 C ATOM 372 O LEU A 25 0.084 -0.588 7.805 1.00 10.00 O ATOM 373 CB LEU A 25 -0.608 -1.458 4.643 1.00 10.00 C ATOM 374 CG LEU A 25 -0.088 -0.422 3.638 1.00 10.00 C ATOM 375 CD1 LEU A 25 -0.940 -0.448 2.367 1.00 10.00 C ATOM 376 CD2 LEU A 25 -0.249 0.988 4.223 1.00 10.00 C ATOM 0 H LEU A 25 0.436 -3.694 5.079 1.00 10.00 H new ATOM 0 HA LEU A 25 1.230 -0.993 5.630 1.00 10.00 H new ATOM 0 HB2 LEU A 25 -0.843 -2.387 4.124 1.00 10.00 H new ATOM 0 HB3 LEU A 25 -1.534 -1.101 5.093 1.00 10.00 H new ATOM 0 HG LEU A 25 0.954 -0.658 3.424 1.00 10.00 H new ATOM 0 HD11 LEU A 25 -0.562 0.291 1.661 1.00 10.00 H new ATOM 0 HD12 LEU A 25 -0.891 -1.439 1.916 1.00 10.00 H new ATOM 0 HD13 LEU A 25 -1.975 -0.214 2.618 1.00 10.00 H new ATOM 0 HD21 LEU A 25 0.121 1.723 3.508 1.00 10.00 H new ATOM 0 HD22 LEU A 25 -1.302 1.179 4.428 1.00 10.00 H new ATOM 0 HD23 LEU A 25 0.320 1.065 5.149 1.00 10.00 H new ATOM 388 N ASN A 26 -1.032 -2.524 7.537 1.00 10.00 N ATOM 389 CA ASN A 26 -1.684 -2.538 8.845 1.00 10.00 C ATOM 390 C ASN A 26 -0.696 -2.261 9.976 1.00 10.00 C ATOM 391 O ASN A 26 -1.096 -1.754 11.018 1.00 10.00 O ATOM 392 CB ASN A 26 -2.384 -3.879 9.085 1.00 10.00 C ATOM 393 CG ASN A 26 -2.978 -3.999 10.486 1.00 10.00 C ATOM 394 OD1 ASN A 26 -2.478 -4.757 11.310 1.00 10.00 O ATOM 395 ND2 ASN A 26 -4.068 -3.288 10.757 1.00 10.00 N ATOM 0 H ASN A 26 -1.276 -3.328 6.959 1.00 10.00 H new ATOM 0 HA ASN A 26 -2.426 -1.739 8.842 1.00 10.00 H new ATOM 0 HB2 ASN A 26 -3.177 -4.006 8.348 1.00 10.00 H new ATOM 0 HB3 ASN A 26 -1.671 -4.688 8.928 1.00 10.00 H new ATOM 0 HD21 ASN A 26 -4.512 -3.364 11.672 1.00 10.00 H new ATOM 0 HD22 ASN A 26 -4.460 -2.666 10.050 1.00 10.00 H new ATOM 402 N LYS A 27 0.586 -2.593 9.779 1.00 10.00 N ATOM 403 CA LYS A 27 1.608 -2.259 10.750 1.00 10.00 C ATOM 404 C LYS A 27 1.605 -0.764 11.111 1.00 10.00 C ATOM 405 O LYS A 27 1.709 -0.423 12.285 1.00 10.00 O ATOM 406 CB LYS A 27 2.976 -2.663 10.192 1.00 10.00 C ATOM 407 CG LYS A 27 3.830 -3.412 11.221 1.00 10.00 C ATOM 408 CD LYS A 27 5.278 -2.912 11.182 1.00 10.00 C ATOM 409 CE LYS A 27 5.897 -3.039 9.780 1.00 10.00 C ATOM 410 NZ LYS A 27 7.156 -2.264 9.681 1.00 10.00 N ATOM 0 H LYS A 27 0.928 -3.090 8.957 1.00 10.00 H new ATOM 0 HA LYS A 27 1.395 -2.807 11.668 1.00 10.00 H new ATOM 0 HB2 LYS A 27 2.835 -3.293 9.314 1.00 10.00 H new ATOM 0 HB3 LYS A 27 3.509 -1.771 9.863 1.00 10.00 H new ATOM 0 HG2 LYS A 27 3.416 -3.269 12.219 1.00 10.00 H new ATOM 0 HG3 LYS A 27 3.803 -4.482 11.015 1.00 10.00 H new ATOM 0 HD2 LYS A 27 5.310 -1.869 11.499 1.00 10.00 H new ATOM 0 HD3 LYS A 27 5.876 -3.480 11.895 1.00 10.00 H new ATOM 0 HE2 LYS A 27 6.094 -4.088 9.560 1.00 10.00 H new ATOM 0 HE3 LYS A 27 5.188 -2.684 9.032 1.00 10.00 H new ATOM 0 HZ1 LYS A 27 7.553 -2.367 8.725 1.00 10.00 H new ATOM 0 HZ2 LYS A 27 6.961 -1.260 9.869 1.00 10.00 H new ATOM 0 HZ3 LYS A 27 7.839 -2.621 10.380 1.00 10.00 H new ATOM 424 N ILE A 28 1.557 0.112 10.100 1.00 10.00 N ATOM 425 CA ILE A 28 1.567 1.552 10.252 1.00 10.00 C ATOM 426 C ILE A 28 0.478 2.002 11.220 1.00 10.00 C ATOM 427 O ILE A 28 -0.679 1.609 11.096 1.00 10.00 O ATOM 428 CB ILE A 28 1.409 2.186 8.856 1.00 10.00 C ATOM 429 CG1 ILE A 28 2.720 2.024 8.053 1.00 10.00 C ATOM 430 CG2 ILE A 28 1.010 3.659 8.978 1.00 10.00 C ATOM 431 CD1 ILE A 28 2.793 0.788 7.168 1.00 10.00 C ATOM 0 H ILE A 28 1.509 -0.183 9.125 1.00 10.00 H new ATOM 0 HA ILE A 28 2.512 1.882 10.683 1.00 10.00 H new ATOM 0 HB ILE A 28 0.613 1.671 8.318 1.00 10.00 H new ATOM 0 HG12 ILE A 28 2.855 2.907 7.428 1.00 10.00 H new ATOM 0 HG13 ILE A 28 3.555 1.999 8.753 1.00 10.00 H new ATOM 0 HG21 ILE A 28 0.903 4.091 7.983 1.00 10.00 H new ATOM 0 HG22 ILE A 28 0.062 3.736 9.511 1.00 10.00 H new ATOM 0 HG23 ILE A 28 1.780 4.200 9.527 1.00 10.00 H new ATOM 0 HD11 ILE A 28 3.751 0.768 6.649 1.00 10.00 H new ATOM 0 HD12 ILE A 28 2.695 -0.106 7.783 1.00 10.00 H new ATOM 0 HD13 ILE A 28 1.985 0.816 6.437 1.00 10.00 H new ATOM 443 N GLU A 29 0.849 2.859 12.168 1.00 10.00 N ATOM 444 CA GLU A 29 -0.026 3.230 13.257 1.00 10.00 C ATOM 445 C GLU A 29 -1.178 4.097 12.743 1.00 10.00 C ATOM 446 O GLU A 29 -2.339 3.824 13.039 1.00 10.00 O ATOM 447 CB GLU A 29 0.798 3.917 14.358 1.00 10.00 C ATOM 448 CG GLU A 29 1.701 2.943 15.138 1.00 10.00 C ATOM 449 CD GLU A 29 2.929 2.443 14.378 1.00 10.00 C ATOM 450 OE1 GLU A 29 3.219 3.004 13.294 1.00 10.00 O ATOM 451 OE2 GLU A 29 3.573 1.515 14.909 1.00 10.00 O ATOM 0 H GLU A 29 1.763 3.310 12.196 1.00 10.00 H new ATOM 0 HA GLU A 29 -0.482 2.342 13.695 1.00 10.00 H new ATOM 0 HB2 GLU A 29 1.416 4.694 13.909 1.00 10.00 H new ATOM 0 HB3 GLU A 29 0.121 4.411 15.055 1.00 10.00 H new ATOM 0 HG2 GLU A 29 2.035 3.435 16.052 1.00 10.00 H new ATOM 0 HG3 GLU A 29 1.104 2.082 15.439 1.00 10.00 H new ATOM 458 N GLY A 30 -0.895 5.127 11.939 1.00 10.00 N ATOM 459 CA GLY A 30 -1.916 6.060 11.491 1.00 10.00 C ATOM 460 C GLY A 30 -2.650 5.551 10.255 1.00 10.00 C ATOM 461 O GLY A 30 -2.937 6.330 9.347 1.00 10.00 O ATOM 0 H GLY A 30 0.041 5.330 11.587 1.00 10.00 H new ATOM 0 HA2 GLY A 30 -2.632 6.227 12.295 1.00 10.00 H new ATOM 0 HA3 GLY A 30 -1.456 7.023 11.269 1.00 10.00 H new ATOM 465 N VAL A 31 -2.942 4.253 10.204 1.00 10.00 N ATOM 466 CA VAL A 31 -3.623 3.611 9.101 1.00 10.00 C ATOM 467 C VAL A 31 -5.092 3.437 9.480 1.00 10.00 C ATOM 468 O VAL A 31 -5.409 3.274 10.657 1.00 10.00 O ATOM 469 CB VAL A 31 -2.905 2.284 8.808 1.00 10.00 C ATOM 470 CG1 VAL A 31 -3.378 1.139 9.709 1.00 10.00 C ATOM 471 CG2 VAL A 31 -3.031 1.909 7.336 1.00 10.00 C ATOM 0 H VAL A 31 -2.701 3.607 10.955 1.00 10.00 H new ATOM 0 HA VAL A 31 -3.596 4.205 8.188 1.00 10.00 H new ATOM 0 HB VAL A 31 -1.851 2.444 9.037 1.00 10.00 H new ATOM 0 HG11 VAL A 31 -2.835 0.228 9.455 1.00 10.00 H new ATOM 0 HG12 VAL A 31 -3.190 1.395 10.752 1.00 10.00 H new ATOM 0 HG13 VAL A 31 -4.446 0.978 9.562 1.00 10.00 H new ATOM 0 HG21 VAL A 31 -2.514 0.966 7.155 1.00 10.00 H new ATOM 0 HG22 VAL A 31 -4.084 1.801 7.077 1.00 10.00 H new ATOM 0 HG23 VAL A 31 -2.584 2.691 6.722 1.00 10.00 H new ATOM 481 N ALA A 32 -5.984 3.466 8.491 1.00 10.00 N ATOM 482 CA ALA A 32 -7.389 3.139 8.682 1.00 10.00 C ATOM 483 C ALA A 32 -7.763 1.941 7.817 1.00 10.00 C ATOM 484 O ALA A 32 -8.295 0.962 8.336 1.00 10.00 O ATOM 485 CB ALA A 32 -8.267 4.352 8.382 1.00 10.00 C ATOM 0 H ALA A 32 -5.747 3.719 7.532 1.00 10.00 H new ATOM 0 HA ALA A 32 -7.558 2.868 9.724 1.00 10.00 H new ATOM 0 HB1 ALA A 32 -9.314 4.089 8.530 1.00 10.00 H new ATOM 0 HB2 ALA A 32 -8.000 5.169 9.052 1.00 10.00 H new ATOM 0 HB3 ALA A 32 -8.114 4.665 7.349 1.00 10.00 H new ATOM 491 N ASN A 33 -7.497 1.997 6.506 1.00 10.00 N ATOM 492 CA ASN A 33 -7.861 0.919 5.596 1.00 10.00 C ATOM 493 C ASN A 33 -6.769 0.744 4.542 1.00 10.00 C ATOM 494 O ASN A 33 -6.045 1.688 4.233 1.00 10.00 O ATOM 495 CB ASN A 33 -9.216 1.194 4.922 1.00 10.00 C ATOM 496 CG ASN A 33 -10.345 1.580 5.877 1.00 10.00 C ATOM 497 OD1 ASN A 33 -11.080 0.719 6.348 1.00 10.00 O ATOM 498 ND2 ASN A 33 -10.530 2.873 6.143 1.00 10.00 N ATOM 0 H ASN A 33 -7.029 2.784 6.056 1.00 10.00 H new ATOM 0 HA ASN A 33 -7.957 -0.001 6.172 1.00 10.00 H new ATOM 0 HB2 ASN A 33 -9.087 1.994 4.194 1.00 10.00 H new ATOM 0 HB3 ASN A 33 -9.517 0.305 4.368 1.00 10.00 H new ATOM 0 HD21 ASN A 33 -11.296 3.164 6.750 1.00 10.00 H new ATOM 0 HD22 ASN A 33 -9.905 3.571 5.739 1.00 10.00 H new ATOM 505 N ALA A 34 -6.661 -0.461 3.977 1.00 10.00 N ATOM 506 CA ALA A 34 -5.749 -0.772 2.879 1.00 10.00 C ATOM 507 C ALA A 34 -6.331 -1.833 1.931 1.00 10.00 C ATOM 508 O ALA A 34 -5.763 -2.918 1.807 1.00 10.00 O ATOM 509 CB ALA A 34 -4.401 -1.215 3.460 1.00 10.00 C ATOM 0 H ALA A 34 -7.217 -1.262 4.277 1.00 10.00 H new ATOM 0 HA ALA A 34 -5.604 0.125 2.277 1.00 10.00 H new ATOM 0 HB1 ALA A 34 -3.714 -1.449 2.647 1.00 10.00 H new ATOM 0 HB2 ALA A 34 -3.985 -0.411 4.067 1.00 10.00 H new ATOM 0 HB3 ALA A 34 -4.545 -2.100 4.080 1.00 10.00 H new ATOM 515 N PRO A 35 -7.456 -1.556 1.255 1.00 10.00 N ATOM 516 CA PRO A 35 -8.091 -2.514 0.359 1.00 10.00 C ATOM 517 C PRO A 35 -7.327 -2.578 -0.969 1.00 10.00 C ATOM 518 O PRO A 35 -7.792 -2.053 -1.978 1.00 10.00 O ATOM 519 CB PRO A 35 -9.522 -1.986 0.195 1.00 10.00 C ATOM 520 CG PRO A 35 -9.341 -0.470 0.285 1.00 10.00 C ATOM 521 CD PRO A 35 -8.231 -0.326 1.327 1.00 10.00 C ATOM 0 HA PRO A 35 -8.092 -3.535 0.740 1.00 10.00 H new ATOM 0 HB2 PRO A 35 -9.956 -2.285 -0.759 1.00 10.00 H new ATOM 0 HB3 PRO A 35 -10.183 -2.361 0.977 1.00 10.00 H new ATOM 0 HG2 PRO A 35 -9.055 -0.039 -0.674 1.00 10.00 H new ATOM 0 HG3 PRO A 35 -10.258 0.030 0.598 1.00 10.00 H new ATOM 0 HD2 PRO A 35 -7.607 0.542 1.116 1.00 10.00 H new ATOM 0 HD3 PRO A 35 -8.647 -0.184 2.324 1.00 10.00 H new ATOM 529 N VAL A 36 -6.142 -3.196 -0.986 1.00 10.00 N ATOM 530 CA VAL A 36 -5.326 -3.257 -2.188 1.00 10.00 C ATOM 531 C VAL A 36 -5.960 -4.144 -3.263 1.00 10.00 C ATOM 532 O VAL A 36 -6.724 -5.057 -2.947 1.00 10.00 O ATOM 533 CB VAL A 36 -3.906 -3.716 -1.835 1.00 10.00 C ATOM 534 CG1 VAL A 36 -3.358 -2.902 -0.655 1.00 10.00 C ATOM 535 CG2 VAL A 36 -3.834 -5.210 -1.505 1.00 10.00 C ATOM 0 H VAL A 36 -5.732 -3.660 -0.176 1.00 10.00 H new ATOM 0 HA VAL A 36 -5.267 -2.255 -2.613 1.00 10.00 H new ATOM 0 HB VAL A 36 -3.293 -3.545 -2.720 1.00 10.00 H new ATOM 0 HG11 VAL A 36 -2.349 -3.240 -0.417 1.00 10.00 H new ATOM 0 HG12 VAL A 36 -3.333 -1.846 -0.922 1.00 10.00 H new ATOM 0 HG13 VAL A 36 -4.002 -3.041 0.213 1.00 10.00 H new ATOM 0 HG21 VAL A 36 -2.806 -5.480 -1.263 1.00 10.00 H new ATOM 0 HG22 VAL A 36 -4.477 -5.425 -0.651 1.00 10.00 H new ATOM 0 HG23 VAL A 36 -4.168 -5.789 -2.366 1.00 10.00 H new ATOM 545 N ASN A 37 -5.613 -3.907 -4.532 1.00 10.00 N ATOM 546 CA ASN A 37 -6.207 -4.634 -5.647 1.00 10.00 C ATOM 547 C ASN A 37 -5.279 -5.756 -6.098 1.00 10.00 C ATOM 548 O ASN A 37 -4.091 -5.534 -6.321 1.00 10.00 O ATOM 549 CB ASN A 37 -6.499 -3.694 -6.815 1.00 10.00 C ATOM 550 CG ASN A 37 -7.435 -2.549 -6.443 1.00 10.00 C ATOM 551 OD1 ASN A 37 -8.403 -2.744 -5.716 1.00 10.00 O ATOM 552 ND2 ASN A 37 -7.174 -1.352 -6.957 1.00 10.00 N ATOM 0 H ASN A 37 -4.919 -3.212 -4.809 1.00 10.00 H new ATOM 0 HA ASN A 37 -7.149 -5.066 -5.309 1.00 10.00 H new ATOM 0 HB2 ASN A 37 -5.560 -3.282 -7.185 1.00 10.00 H new ATOM 0 HB3 ASN A 37 -6.940 -4.265 -7.632 1.00 10.00 H new ATOM 0 HD21 ASN A 37 -7.787 -0.563 -6.750 1.00 10.00 H new ATOM 0 HD22 ASN A 37 -6.361 -1.222 -7.559 1.00 10.00 H new ATOM 559 N PHE A 38 -5.830 -6.961 -6.259 1.00 10.00 N ATOM 560 CA PHE A 38 -5.093 -8.182 -6.556 1.00 10.00 C ATOM 561 C PHE A 38 -5.481 -8.718 -7.938 1.00 10.00 C ATOM 562 O PHE A 38 -5.996 -9.823 -8.066 1.00 10.00 O ATOM 563 CB PHE A 38 -5.322 -9.195 -5.427 1.00 10.00 C ATOM 564 CG PHE A 38 -6.752 -9.332 -4.934 1.00 10.00 C ATOM 565 CD1 PHE A 38 -7.242 -8.463 -3.939 1.00 10.00 C ATOM 566 CD2 PHE A 38 -7.580 -10.355 -5.436 1.00 10.00 C ATOM 567 CE1 PHE A 38 -8.559 -8.597 -3.471 1.00 10.00 C ATOM 568 CE2 PHE A 38 -8.895 -10.493 -4.960 1.00 10.00 C ATOM 569 CZ PHE A 38 -9.385 -9.614 -3.979 1.00 10.00 C ATOM 0 H PHE A 38 -6.836 -7.114 -6.183 1.00 10.00 H new ATOM 0 HA PHE A 38 -4.023 -7.979 -6.601 1.00 10.00 H new ATOM 0 HB2 PHE A 38 -4.981 -10.172 -5.768 1.00 10.00 H new ATOM 0 HB3 PHE A 38 -4.693 -8.915 -4.582 1.00 10.00 H new ATOM 0 HD1 PHE A 38 -6.603 -7.692 -3.535 1.00 10.00 H new ATOM 0 HD2 PHE A 38 -7.204 -11.034 -6.187 1.00 10.00 H new ATOM 0 HE1 PHE A 38 -8.937 -7.918 -2.721 1.00 10.00 H new ATOM 0 HE2 PHE A 38 -9.530 -11.276 -5.349 1.00 10.00 H new ATOM 0 HZ PHE A 38 -10.396 -9.720 -3.616 1.00 10.00 H new ATOM 579 N ALA A 39 -5.229 -7.899 -8.962 1.00 10.00 N ATOM 580 CA ALA A 39 -5.330 -8.211 -10.387 1.00 10.00 C ATOM 581 C ALA A 39 -5.221 -6.908 -11.184 1.00 10.00 C ATOM 582 O ALA A 39 -4.715 -6.891 -12.299 1.00 10.00 O ATOM 583 CB ALA A 39 -6.650 -8.909 -10.745 1.00 10.00 C ATOM 0 H ALA A 39 -4.929 -6.937 -8.806 1.00 10.00 H new ATOM 0 HA ALA A 39 -4.520 -8.897 -10.636 1.00 10.00 H new ATOM 0 HB1 ALA A 39 -6.673 -9.118 -11.815 1.00 10.00 H new ATOM 0 HB2 ALA A 39 -6.729 -9.844 -10.191 1.00 10.00 H new ATOM 0 HB3 ALA A 39 -7.487 -8.261 -10.484 1.00 10.00 H new ATOM 589 N LEU A 40 -5.725 -5.817 -10.595 1.00 10.00 N ATOM 590 CA LEU A 40 -5.799 -4.493 -11.205 1.00 10.00 C ATOM 591 C LEU A 40 -4.515 -3.687 -10.990 1.00 10.00 C ATOM 592 O LEU A 40 -4.419 -2.535 -11.408 1.00 10.00 O ATOM 593 CB LEU A 40 -6.965 -3.716 -10.594 1.00 10.00 C ATOM 594 CG LEU A 40 -8.210 -4.552 -10.265 1.00 10.00 C ATOM 595 CD1 LEU A 40 -9.240 -3.571 -9.726 1.00 10.00 C ATOM 596 CD2 LEU A 40 -8.729 -5.337 -11.471 1.00 10.00 C ATOM 0 H LEU A 40 -6.104 -5.837 -9.648 1.00 10.00 H new ATOM 0 HA LEU A 40 -5.940 -4.636 -12.276 1.00 10.00 H new ATOM 0 HB2 LEU A 40 -6.619 -3.234 -9.680 1.00 10.00 H new ATOM 0 HB3 LEU A 40 -7.252 -2.922 -11.284 1.00 10.00 H new ATOM 0 HG LEU A 40 -7.976 -5.321 -9.528 1.00 10.00 H new ATOM 0 HD11 LEU A 40 -10.155 -4.107 -9.472 1.00 10.00 H new ATOM 0 HD12 LEU A 40 -8.846 -3.083 -8.835 1.00 10.00 H new ATOM 0 HD13 LEU A 40 -9.459 -2.820 -10.485 1.00 10.00 H new ATOM 0 HD21 LEU A 40 -9.610 -5.910 -11.181 1.00 10.00 H new ATOM 0 HD22 LEU A 40 -8.994 -4.644 -12.270 1.00 10.00 H new ATOM 0 HD23 LEU A 40 -7.954 -6.017 -11.823 1.00 10.00 H new ATOM 608 N GLU A 41 -3.573 -4.270 -10.253 1.00 10.00 N ATOM 609 CA GLU A 41 -2.192 -3.823 -10.146 1.00 10.00 C ATOM 610 C GLU A 41 -2.114 -2.413 -9.567 1.00 10.00 C ATOM 611 O GLU A 41 -1.357 -1.567 -10.041 1.00 10.00 O ATOM 612 CB GLU A 41 -1.483 -3.952 -11.502 1.00 10.00 C ATOM 613 CG GLU A 41 -1.735 -5.333 -12.125 1.00 10.00 C ATOM 614 CD GLU A 41 -0.588 -5.771 -13.019 1.00 10.00 C ATOM 615 OE1 GLU A 41 -0.532 -5.281 -14.166 1.00 10.00 O ATOM 616 OE2 GLU A 41 0.218 -6.586 -12.519 1.00 10.00 O ATOM 0 H GLU A 41 -3.762 -5.101 -9.692 1.00 10.00 H new ATOM 0 HA GLU A 41 -1.663 -4.469 -9.446 1.00 10.00 H new ATOM 0 HB2 GLU A 41 -1.838 -3.174 -12.178 1.00 10.00 H new ATOM 0 HB3 GLU A 41 -0.412 -3.797 -11.373 1.00 10.00 H new ATOM 0 HG2 GLU A 41 -1.878 -6.068 -11.333 1.00 10.00 H new ATOM 0 HG3 GLU A 41 -2.657 -5.306 -12.705 1.00 10.00 H new ATOM 623 N THR A 42 -2.912 -2.185 -8.524 1.00 10.00 N ATOM 624 CA THR A 42 -3.067 -0.911 -7.851 1.00 10.00 C ATOM 625 C THR A 42 -3.217 -1.184 -6.349 1.00 10.00 C ATOM 626 O THR A 42 -4.002 -2.040 -5.944 1.00 10.00 O ATOM 627 CB THR A 42 -4.278 -0.178 -8.456 1.00 10.00 C ATOM 628 OG1 THR A 42 -5.221 -1.105 -8.972 1.00 10.00 O ATOM 629 CG2 THR A 42 -3.847 0.732 -9.610 1.00 10.00 C ATOM 0 H THR A 42 -3.489 -2.919 -8.113 1.00 10.00 H new ATOM 0 HA THR A 42 -2.201 -0.264 -7.987 1.00 10.00 H new ATOM 0 HB THR A 42 -4.724 0.413 -7.656 1.00 10.00 H new ATOM 0 HG1 THR A 42 -4.909 -1.441 -9.838 1.00 10.00 H new ATOM 0 HG21 THR A 42 -4.721 1.238 -10.020 1.00 10.00 H new ATOM 0 HG22 THR A 42 -3.137 1.473 -9.243 1.00 10.00 H new ATOM 0 HG23 THR A 42 -3.376 0.133 -10.389 1.00 10.00 H new ATOM 637 N VAL A 43 -2.438 -0.495 -5.514 1.00 10.00 N ATOM 638 CA VAL A 43 -2.588 -0.527 -4.063 1.00 10.00 C ATOM 639 C VAL A 43 -3.313 0.753 -3.675 1.00 10.00 C ATOM 640 O VAL A 43 -2.945 1.838 -4.128 1.00 10.00 O ATOM 641 CB VAL A 43 -1.221 -0.666 -3.372 1.00 10.00 C ATOM 642 CG1 VAL A 43 -1.172 -0.157 -1.926 1.00 10.00 C ATOM 643 CG2 VAL A 43 -0.718 -2.113 -3.420 1.00 10.00 C ATOM 0 H VAL A 43 -1.678 0.106 -5.832 1.00 10.00 H new ATOM 0 HA VAL A 43 -3.165 -1.393 -3.738 1.00 10.00 H new ATOM 0 HB VAL A 43 -0.562 -0.016 -3.948 1.00 10.00 H new ATOM 0 HG11 VAL A 43 -0.168 -0.297 -1.525 1.00 10.00 H new ATOM 0 HG12 VAL A 43 -1.426 0.903 -1.904 1.00 10.00 H new ATOM 0 HG13 VAL A 43 -1.886 -0.714 -1.320 1.00 10.00 H new ATOM 0 HG21 VAL A 43 0.250 -2.178 -2.923 1.00 10.00 H new ATOM 0 HG22 VAL A 43 -1.431 -2.763 -2.912 1.00 10.00 H new ATOM 0 HG23 VAL A 43 -0.615 -2.428 -4.458 1.00 10.00 H new ATOM 653 N THR A 44 -4.337 0.600 -2.841 1.00 10.00 N ATOM 654 CA THR A 44 -5.242 1.644 -2.421 1.00 10.00 C ATOM 655 C THR A 44 -5.156 1.717 -0.901 1.00 10.00 C ATOM 656 O THR A 44 -5.382 0.703 -0.240 1.00 10.00 O ATOM 657 CB THR A 44 -6.648 1.245 -2.893 1.00 10.00 C ATOM 658 OG1 THR A 44 -6.640 0.947 -4.277 1.00 10.00 O ATOM 659 CG2 THR A 44 -7.661 2.338 -2.580 1.00 10.00 C ATOM 0 H THR A 44 -4.562 -0.303 -2.424 1.00 10.00 H new ATOM 0 HA THR A 44 -4.999 2.621 -2.838 1.00 10.00 H new ATOM 0 HB THR A 44 -6.947 0.349 -2.350 1.00 10.00 H new ATOM 0 HG1 THR A 44 -7.070 1.676 -4.771 1.00 10.00 H new ATOM 0 HG21 THR A 44 -8.648 2.029 -2.925 1.00 10.00 H new ATOM 0 HG22 THR A 44 -7.690 2.510 -1.504 1.00 10.00 H new ATOM 0 HG23 THR A 44 -7.371 3.259 -3.087 1.00 10.00 H new ATOM 667 N VAL A 45 -4.795 2.880 -0.350 1.00 10.00 N ATOM 668 CA VAL A 45 -4.608 3.061 1.081 1.00 10.00 C ATOM 669 C VAL A 45 -5.473 4.214 1.586 1.00 10.00 C ATOM 670 O VAL A 45 -5.725 5.186 0.872 1.00 10.00 O ATOM 671 CB VAL A 45 -3.123 3.273 1.413 1.00 10.00 C ATOM 672 CG1 VAL A 45 -2.896 3.130 2.922 1.00 10.00 C ATOM 673 CG2 VAL A 45 -2.249 2.252 0.673 1.00 10.00 C ATOM 0 H VAL A 45 -4.625 3.725 -0.895 1.00 10.00 H new ATOM 0 HA VAL A 45 -4.928 2.155 1.596 1.00 10.00 H new ATOM 0 HB VAL A 45 -2.844 4.277 1.093 1.00 10.00 H new ATOM 0 HG11 VAL A 45 -1.840 3.282 3.147 1.00 10.00 H new ATOM 0 HG12 VAL A 45 -3.491 3.874 3.452 1.00 10.00 H new ATOM 0 HG13 VAL A 45 -3.195 2.132 3.242 1.00 10.00 H new ATOM 0 HG21 VAL A 45 -1.202 2.421 0.923 1.00 10.00 H new ATOM 0 HG22 VAL A 45 -2.535 1.244 0.972 1.00 10.00 H new ATOM 0 HG23 VAL A 45 -2.388 2.365 -0.402 1.00 10.00 H new ATOM 683 N GLU A 46 -5.917 4.067 2.833 1.00 10.00 N ATOM 684 CA GLU A 46 -6.666 5.018 3.623 1.00 10.00 C ATOM 685 C GLU A 46 -5.849 5.183 4.911 1.00 10.00 C ATOM 686 O GLU A 46 -5.912 4.329 5.802 1.00 10.00 O ATOM 687 CB GLU A 46 -8.071 4.431 3.840 1.00 10.00 C ATOM 688 CG GLU A 46 -9.219 5.389 3.503 1.00 10.00 C ATOM 689 CD GLU A 46 -9.556 6.382 4.608 1.00 10.00 C ATOM 690 OE1 GLU A 46 -9.122 6.138 5.751 1.00 10.00 O ATOM 691 OE2 GLU A 46 -10.280 7.357 4.306 1.00 10.00 O ATOM 0 H GLU A 46 -5.743 3.206 3.351 1.00 10.00 H new ATOM 0 HA GLU A 46 -6.810 5.997 3.167 1.00 10.00 H new ATOM 0 HB2 GLU A 46 -8.174 3.533 3.231 1.00 10.00 H new ATOM 0 HB3 GLU A 46 -8.165 4.123 4.881 1.00 10.00 H new ATOM 0 HG2 GLU A 46 -8.961 5.943 2.600 1.00 10.00 H new ATOM 0 HG3 GLU A 46 -10.109 4.803 3.274 1.00 10.00 H new ATOM 698 N TYR A 47 -4.999 6.215 4.967 1.00 10.00 N ATOM 699 CA TYR A 47 -4.077 6.439 6.077 1.00 10.00 C ATOM 700 C TYR A 47 -3.866 7.931 6.270 1.00 10.00 C ATOM 701 O TYR A 47 -4.183 8.724 5.388 1.00 10.00 O ATOM 702 CB TYR A 47 -2.723 5.741 5.861 1.00 10.00 C ATOM 703 CG TYR A 47 -1.720 6.491 4.995 1.00 10.00 C ATOM 704 CD1 TYR A 47 -1.945 6.679 3.617 1.00 10.00 C ATOM 705 CD2 TYR A 47 -0.628 7.134 5.609 1.00 10.00 C ATOM 706 CE1 TYR A 47 -1.124 7.553 2.883 1.00 10.00 C ATOM 707 CE2 TYR A 47 0.168 8.030 4.881 1.00 10.00 C ATOM 708 CZ TYR A 47 -0.096 8.261 3.525 1.00 10.00 C ATOM 709 OH TYR A 47 0.631 9.190 2.845 1.00 10.00 O ATOM 0 H TYR A 47 -4.934 6.922 4.235 1.00 10.00 H new ATOM 0 HA TYR A 47 -4.525 6.005 6.971 1.00 10.00 H new ATOM 0 HB2 TYR A 47 -2.269 5.561 6.836 1.00 10.00 H new ATOM 0 HB3 TYR A 47 -2.906 4.766 5.409 1.00 10.00 H new ATOM 0 HD1 TYR A 47 -2.748 6.152 3.124 1.00 10.00 H new ATOM 0 HD2 TYR A 47 -0.402 6.936 6.646 1.00 10.00 H new ATOM 0 HE1 TYR A 47 -1.285 7.680 1.823 1.00 10.00 H new ATOM 0 HE2 TYR A 47 0.985 8.542 5.366 1.00 10.00 H new ATOM 0 HH TYR A 47 1.300 9.584 3.443 1.00 10.00 H new ATOM 719 N ASN A 48 -3.336 8.313 7.427 1.00 10.00 N ATOM 720 CA ASN A 48 -3.075 9.708 7.749 1.00 10.00 C ATOM 721 C ASN A 48 -1.625 10.073 7.421 1.00 10.00 C ATOM 722 O ASN A 48 -0.706 9.362 7.821 1.00 10.00 O ATOM 723 CB ASN A 48 -3.493 10.045 9.190 1.00 10.00 C ATOM 724 CG ASN A 48 -2.674 9.436 10.331 1.00 10.00 C ATOM 725 OD1 ASN A 48 -1.451 9.352 10.303 1.00 10.00 O ATOM 726 ND2 ASN A 48 -3.351 9.077 11.418 1.00 10.00 N ATOM 0 H ASN A 48 -3.076 7.662 8.168 1.00 10.00 H new ATOM 0 HA ASN A 48 -3.700 10.339 7.117 1.00 10.00 H new ATOM 0 HB2 ASN A 48 -3.468 11.129 9.301 1.00 10.00 H new ATOM 0 HB3 ASN A 48 -4.530 9.735 9.319 1.00 10.00 H new ATOM 0 HD21 ASN A 48 -2.853 8.729 12.237 1.00 10.00 H new ATOM 0 HD22 ASN A 48 -4.368 9.150 11.433 1.00 10.00 H new ATOM 733 N PRO A 49 -1.375 11.186 6.719 1.00 10.00 N ATOM 734 CA PRO A 49 -0.031 11.709 6.581 1.00 10.00 C ATOM 735 C PRO A 49 0.339 12.443 7.877 1.00 10.00 C ATOM 736 O PRO A 49 0.581 13.649 7.854 1.00 10.00 O ATOM 737 CB PRO A 49 -0.100 12.628 5.356 1.00 10.00 C ATOM 738 CG PRO A 49 -1.525 13.177 5.415 1.00 10.00 C ATOM 739 CD PRO A 49 -2.329 12.009 5.988 1.00 10.00 C ATOM 0 HA PRO A 49 0.740 10.953 6.433 1.00 10.00 H new ATOM 0 HB2 PRO A 49 0.642 13.425 5.408 1.00 10.00 H new ATOM 0 HB3 PRO A 49 0.084 12.081 4.431 1.00 10.00 H new ATOM 0 HG2 PRO A 49 -1.590 14.060 6.051 1.00 10.00 H new ATOM 0 HG3 PRO A 49 -1.885 13.468 4.428 1.00 10.00 H new ATOM 0 HD2 PRO A 49 -3.121 12.366 6.646 1.00 10.00 H new ATOM 0 HD3 PRO A 49 -2.808 11.438 5.193 1.00 10.00 H new ATOM 747 N LYS A 50 0.355 11.738 9.021 1.00 10.00 N ATOM 748 CA LYS A 50 0.773 12.331 10.290 1.00 10.00 C ATOM 749 C LYS A 50 1.627 11.347 11.086 1.00 10.00 C ATOM 750 O LYS A 50 2.670 11.730 11.610 1.00 10.00 O ATOM 751 CB LYS A 50 -0.422 12.958 11.046 1.00 10.00 C ATOM 752 CG LYS A 50 -1.120 12.150 12.150 1.00 10.00 C ATOM 753 CD LYS A 50 -0.427 12.189 13.521 1.00 10.00 C ATOM 754 CE LYS A 50 -1.201 11.278 14.487 1.00 10.00 C ATOM 755 NZ LYS A 50 -0.446 10.996 15.721 1.00 10.00 N ATOM 0 H LYS A 50 0.082 10.757 9.087 1.00 10.00 H new ATOM 0 HA LYS A 50 1.430 13.180 10.103 1.00 10.00 H new ATOM 0 HB2 LYS A 50 -0.075 13.890 11.492 1.00 10.00 H new ATOM 0 HB3 LYS A 50 -1.177 13.221 10.305 1.00 10.00 H new ATOM 0 HG2 LYS A 50 -2.138 12.523 12.264 1.00 10.00 H new ATOM 0 HG3 LYS A 50 -1.195 11.112 11.827 1.00 10.00 H new ATOM 0 HD2 LYS A 50 0.607 11.855 13.432 1.00 10.00 H new ATOM 0 HD3 LYS A 50 -0.400 13.210 13.903 1.00 10.00 H new ATOM 0 HE2 LYS A 50 -2.150 11.749 14.745 1.00 10.00 H new ATOM 0 HE3 LYS A 50 -1.437 10.339 13.986 1.00 10.00 H new ATOM 0 HZ1 LYS A 50 -0.711 10.058 16.083 1.00 10.00 H new ATOM 0 HZ2 LYS A 50 0.573 11.013 15.516 1.00 10.00 H new ATOM 0 HZ3 LYS A 50 -0.667 11.718 16.436 1.00 10.00 H new ATOM 769 N GLU A 51 1.196 10.085 11.172 1.00 10.00 N ATOM 770 CA GLU A 51 1.920 9.050 11.895 1.00 10.00 C ATOM 771 C GLU A 51 2.954 8.378 10.978 1.00 10.00 C ATOM 772 O GLU A 51 4.040 8.017 11.420 1.00 10.00 O ATOM 773 CB GLU A 51 0.898 8.040 12.440 1.00 10.00 C ATOM 774 CG GLU A 51 1.207 7.543 13.857 1.00 10.00 C ATOM 775 CD GLU A 51 0.855 8.573 14.916 1.00 10.00 C ATOM 776 OE1 GLU A 51 1.589 9.575 15.061 1.00 10.00 O ATOM 777 OE2 GLU A 51 -0.237 8.459 15.517 1.00 10.00 O ATOM 0 H GLU A 51 0.332 9.758 10.739 1.00 10.00 H new ATOM 0 HA GLU A 51 2.473 9.483 12.729 1.00 10.00 H new ATOM 0 HB2 GLU A 51 -0.090 8.500 12.435 1.00 10.00 H new ATOM 0 HB3 GLU A 51 0.855 7.184 11.767 1.00 10.00 H new ATOM 0 HG2 GLU A 51 0.652 6.625 14.047 1.00 10.00 H new ATOM 0 HG3 GLU A 51 2.266 7.296 13.931 1.00 10.00 H new ATOM 784 N ALA A 52 2.601 8.203 9.701 1.00 10.00 N ATOM 785 CA ALA A 52 3.418 7.581 8.665 1.00 10.00 C ATOM 786 C ALA A 52 3.290 8.413 7.390 1.00 10.00 C ATOM 787 O ALA A 52 2.487 9.346 7.348 1.00 10.00 O ATOM 788 CB ALA A 52 2.920 6.166 8.427 1.00 10.00 C ATOM 0 H ALA A 52 1.693 8.507 9.349 1.00 10.00 H new ATOM 0 HA ALA A 52 4.464 7.539 8.968 1.00 10.00 H new ATOM 0 HB1 ALA A 52 3.525 5.693 7.654 1.00 10.00 H new ATOM 0 HB2 ALA A 52 2.998 5.593 9.351 1.00 10.00 H new ATOM 0 HB3 ALA A 52 1.879 6.196 8.106 1.00 10.00 H new ATOM 794 N SER A 53 4.048 8.067 6.349 1.00 10.00 N ATOM 795 CA SER A 53 3.971 8.680 5.037 1.00 10.00 C ATOM 796 C SER A 53 3.901 7.602 3.954 1.00 10.00 C ATOM 797 O SER A 53 4.045 6.403 4.209 1.00 10.00 O ATOM 798 CB SER A 53 5.202 9.572 4.841 1.00 10.00 C ATOM 799 OG SER A 53 6.359 8.779 4.670 1.00 10.00 O ATOM 0 H SER A 53 4.751 7.330 6.405 1.00 10.00 H new ATOM 0 HA SER A 53 3.069 9.287 4.960 1.00 10.00 H new ATOM 0 HB2 SER A 53 5.060 10.213 3.971 1.00 10.00 H new ATOM 0 HB3 SER A 53 5.326 10.227 5.703 1.00 10.00 H new ATOM 0 HG SER A 53 6.424 8.133 5.404 1.00 10.00 H new ATOM 805 N VAL A 54 3.746 8.057 2.709 1.00 10.00 N ATOM 806 CA VAL A 54 3.891 7.231 1.523 1.00 10.00 C ATOM 807 C VAL A 54 5.185 6.413 1.556 1.00 10.00 C ATOM 808 O VAL A 54 5.193 5.253 1.148 1.00 10.00 O ATOM 809 CB VAL A 54 3.790 8.104 0.262 1.00 10.00 C ATOM 810 CG1 VAL A 54 2.395 8.737 0.189 1.00 10.00 C ATOM 811 CG2 VAL A 54 4.850 9.212 0.177 1.00 10.00 C ATOM 0 H VAL A 54 3.512 9.028 2.500 1.00 10.00 H new ATOM 0 HA VAL A 54 3.076 6.508 1.502 1.00 10.00 H new ATOM 0 HB VAL A 54 3.971 7.438 -0.582 1.00 10.00 H new ATOM 0 HG11 VAL A 54 2.323 9.356 -0.705 1.00 10.00 H new ATOM 0 HG12 VAL A 54 1.641 7.951 0.148 1.00 10.00 H new ATOM 0 HG13 VAL A 54 2.229 9.354 1.072 1.00 10.00 H new ATOM 0 HG21 VAL A 54 4.708 9.781 -0.742 1.00 10.00 H new ATOM 0 HG22 VAL A 54 4.751 9.877 1.035 1.00 10.00 H new ATOM 0 HG23 VAL A 54 5.844 8.765 0.177 1.00 10.00 H new ATOM 821 N SER A 55 6.280 7.006 2.040 1.00 10.00 N ATOM 822 CA SER A 55 7.582 6.365 2.105 1.00 10.00 C ATOM 823 C SER A 55 7.538 5.080 2.936 1.00 10.00 C ATOM 824 O SER A 55 8.169 4.087 2.558 1.00 10.00 O ATOM 825 CB SER A 55 8.595 7.367 2.664 1.00 10.00 C ATOM 826 OG SER A 55 8.529 8.559 1.901 1.00 10.00 O ATOM 0 H SER A 55 6.279 7.960 2.402 1.00 10.00 H new ATOM 0 HA SER A 55 7.888 6.067 1.102 1.00 10.00 H new ATOM 0 HB2 SER A 55 8.379 7.577 3.711 1.00 10.00 H new ATOM 0 HB3 SER A 55 9.601 6.949 2.624 1.00 10.00 H new ATOM 0 HG SER A 55 9.173 9.208 2.252 1.00 10.00 H new ATOM 832 N ASP A 56 6.809 5.100 4.054 1.00 10.00 N ATOM 833 CA ASP A 56 6.737 3.999 4.997 1.00 10.00 C ATOM 834 C ASP A 56 5.941 2.852 4.387 1.00 10.00 C ATOM 835 O ASP A 56 6.394 1.714 4.320 1.00 10.00 O ATOM 836 CB ASP A 56 6.075 4.488 6.289 1.00 10.00 C ATOM 837 CG ASP A 56 6.786 5.706 6.850 1.00 10.00 C ATOM 838 OD1 ASP A 56 6.392 6.813 6.419 1.00 10.00 O ATOM 839 OD2 ASP A 56 7.717 5.515 7.656 1.00 10.00 O ATOM 0 H ASP A 56 6.243 5.903 4.328 1.00 10.00 H new ATOM 0 HA ASP A 56 7.740 3.639 5.226 1.00 10.00 H new ATOM 0 HB2 ASP A 56 5.031 4.732 6.094 1.00 10.00 H new ATOM 0 HB3 ASP A 56 6.083 3.688 7.029 1.00 10.00 H new ATOM 844 N LEU A 57 4.740 3.130 3.894 1.00 10.00 N ATOM 845 CA LEU A 57 3.961 2.056 3.284 1.00 10.00 C ATOM 846 C LEU A 57 4.664 1.528 2.023 1.00 10.00 C ATOM 847 O LEU A 57 4.780 0.317 1.828 1.00 10.00 O ATOM 848 CB LEU A 57 2.499 2.461 3.116 1.00 10.00 C ATOM 849 CG LEU A 57 2.294 3.622 2.142 1.00 10.00 C ATOM 850 CD1 LEU A 57 2.151 3.080 0.715 1.00 10.00 C ATOM 851 CD2 LEU A 57 1.080 4.464 2.550 1.00 10.00 C ATOM 0 H LEU A 57 4.297 4.049 3.901 1.00 10.00 H new ATOM 0 HA LEU A 57 3.918 1.197 3.954 1.00 10.00 H new ATOM 0 HB2 LEU A 57 1.930 1.600 2.767 1.00 10.00 H new ATOM 0 HB3 LEU A 57 2.093 2.738 4.089 1.00 10.00 H new ATOM 0 HG LEU A 57 3.166 4.276 2.174 1.00 10.00 H new ATOM 0 HD11 LEU A 57 2.005 3.910 0.024 1.00 10.00 H new ATOM 0 HD12 LEU A 57 3.054 2.534 0.441 1.00 10.00 H new ATOM 0 HD13 LEU A 57 1.292 2.410 0.664 1.00 10.00 H new ATOM 0 HD21 LEU A 57 0.952 5.284 1.844 1.00 10.00 H new ATOM 0 HD22 LEU A 57 0.186 3.840 2.546 1.00 10.00 H new ATOM 0 HD23 LEU A 57 1.237 4.867 3.550 1.00 10.00 H new ATOM 863 N LYS A 58 5.214 2.423 1.196 1.00 10.00 N ATOM 864 CA LYS A 58 6.193 2.055 0.185 1.00 10.00 C ATOM 865 C LYS A 58 7.283 1.122 0.718 1.00 10.00 C ATOM 866 O LYS A 58 7.559 0.130 0.057 1.00 10.00 O ATOM 867 CB LYS A 58 6.781 3.308 -0.472 1.00 10.00 C ATOM 868 CG LYS A 58 7.728 2.974 -1.627 1.00 10.00 C ATOM 869 CD LYS A 58 9.165 3.486 -1.429 1.00 10.00 C ATOM 870 CE LYS A 58 10.039 2.663 -0.465 1.00 10.00 C ATOM 871 NZ LYS A 58 10.084 3.213 0.908 1.00 10.00 N ATOM 0 H LYS A 58 4.990 3.418 1.213 1.00 10.00 H new ATOM 0 HA LYS A 58 5.667 1.482 -0.579 1.00 10.00 H new ATOM 0 HB2 LYS A 58 5.970 3.935 -0.841 1.00 10.00 H new ATOM 0 HB3 LYS A 58 7.318 3.889 0.277 1.00 10.00 H new ATOM 0 HG2 LYS A 58 7.754 1.892 -1.760 1.00 10.00 H new ATOM 0 HG3 LYS A 58 7.326 3.399 -2.547 1.00 10.00 H new ATOM 0 HD2 LYS A 58 9.658 3.516 -2.401 1.00 10.00 H new ATOM 0 HD3 LYS A 58 9.119 4.512 -1.063 1.00 10.00 H new ATOM 0 HE2 LYS A 58 9.660 1.642 -0.426 1.00 10.00 H new ATOM 0 HE3 LYS A 58 11.053 2.612 -0.861 1.00 10.00 H new ATOM 0 HZ1 LYS A 58 10.467 2.496 1.557 1.00 10.00 H new ATOM 0 HZ2 LYS A 58 10.693 4.056 0.925 1.00 10.00 H new ATOM 0 HZ3 LYS A 58 9.123 3.475 1.209 1.00 10.00 H new ATOM 885 N GLU A 59 7.939 1.412 1.852 1.00 10.00 N ATOM 886 CA GLU A 59 8.923 0.512 2.437 1.00 10.00 C ATOM 887 C GLU A 59 8.305 -0.862 2.601 1.00 10.00 C ATOM 888 O GLU A 59 8.887 -1.874 2.224 1.00 10.00 O ATOM 889 CB GLU A 59 9.350 1.063 3.800 1.00 10.00 C ATOM 890 CG GLU A 59 10.454 0.231 4.452 1.00 10.00 C ATOM 891 CD GLU A 59 9.954 -0.788 5.495 1.00 10.00 C ATOM 892 OE1 GLU A 59 9.585 -0.360 6.606 1.00 10.00 O ATOM 893 OE2 GLU A 59 9.922 -2.005 5.196 1.00 10.00 O ATOM 0 H GLU A 59 7.798 2.273 2.380 1.00 10.00 H new ATOM 0 HA GLU A 59 9.796 0.435 1.789 1.00 10.00 H new ATOM 0 HB2 GLU A 59 9.697 2.089 3.680 1.00 10.00 H new ATOM 0 HB3 GLU A 59 8.485 1.094 4.462 1.00 10.00 H new ATOM 0 HG2 GLU A 59 10.998 -0.303 3.673 1.00 10.00 H new ATOM 0 HG3 GLU A 59 11.164 0.905 4.932 1.00 10.00 H new ATOM 900 N ALA A 60 7.090 -0.866 3.142 1.00 10.00 N ATOM 901 CA ALA A 60 6.377 -2.088 3.430 1.00 10.00 C ATOM 902 C ALA A 60 6.280 -2.971 2.181 1.00 10.00 C ATOM 903 O ALA A 60 6.634 -4.150 2.220 1.00 10.00 O ATOM 904 CB ALA A 60 5.025 -1.761 4.073 1.00 10.00 C ATOM 0 H ALA A 60 6.580 -0.018 3.390 1.00 10.00 H new ATOM 0 HA ALA A 60 6.930 -2.680 4.159 1.00 10.00 H new ATOM 0 HB1 ALA A 60 4.491 -2.687 4.288 1.00 10.00 H new ATOM 0 HB2 ALA A 60 5.187 -1.211 5.000 1.00 10.00 H new ATOM 0 HB3 ALA A 60 4.434 -1.152 3.388 1.00 10.00 H new ATOM 910 N VAL A 61 5.841 -2.382 1.067 1.00 10.00 N ATOM 911 CA VAL A 61 5.821 -3.064 -0.224 1.00 10.00 C ATOM 912 C VAL A 61 7.236 -3.397 -0.731 1.00 10.00 C ATOM 913 O VAL A 61 7.480 -4.505 -1.203 1.00 10.00 O ATOM 914 CB VAL A 61 5.033 -2.229 -1.243 1.00 10.00 C ATOM 915 CG1 VAL A 61 5.074 -2.897 -2.625 1.00 10.00 C ATOM 916 CG2 VAL A 61 3.568 -2.089 -0.817 1.00 10.00 C ATOM 0 H VAL A 61 5.492 -1.424 1.036 1.00 10.00 H new ATOM 0 HA VAL A 61 5.316 -4.021 -0.093 1.00 10.00 H new ATOM 0 HB VAL A 61 5.495 -1.243 -1.289 1.00 10.00 H new ATOM 0 HG11 VAL A 61 4.511 -2.294 -3.337 1.00 10.00 H new ATOM 0 HG12 VAL A 61 6.108 -2.981 -2.958 1.00 10.00 H new ATOM 0 HG13 VAL A 61 4.631 -3.891 -2.562 1.00 10.00 H new ATOM 0 HG21 VAL A 61 3.030 -1.493 -1.554 1.00 10.00 H new ATOM 0 HG22 VAL A 61 3.113 -3.077 -0.747 1.00 10.00 H new ATOM 0 HG23 VAL A 61 3.517 -1.597 0.154 1.00 10.00 H new ATOM 926 N ASP A 62 8.182 -2.462 -0.644 1.00 10.00 N ATOM 927 CA ASP A 62 9.522 -2.647 -1.190 1.00 10.00 C ATOM 928 C ASP A 62 10.183 -3.870 -0.549 1.00 10.00 C ATOM 929 O ASP A 62 10.669 -4.769 -1.233 1.00 10.00 O ATOM 930 CB ASP A 62 10.337 -1.365 -1.000 1.00 10.00 C ATOM 931 CG ASP A 62 11.591 -1.385 -1.859 1.00 10.00 C ATOM 932 OD1 ASP A 62 11.461 -1.033 -3.054 1.00 10.00 O ATOM 933 OD2 ASP A 62 12.654 -1.721 -1.298 1.00 10.00 O ATOM 0 H ASP A 62 8.039 -1.558 -0.194 1.00 10.00 H new ATOM 0 HA ASP A 62 9.469 -2.840 -2.261 1.00 10.00 H new ATOM 0 HB2 ASP A 62 9.727 -0.500 -1.261 1.00 10.00 H new ATOM 0 HB3 ASP A 62 10.612 -1.257 0.049 1.00 10.00 H new ATOM 938 N LYS A 63 10.096 -3.948 0.782 1.00 10.00 N ATOM 939 CA LYS A 63 10.575 -5.061 1.582 1.00 10.00 C ATOM 940 C LYS A 63 9.940 -6.379 1.134 1.00 10.00 C ATOM 941 O LYS A 63 10.587 -7.427 1.213 1.00 10.00 O ATOM 942 CB LYS A 63 10.320 -4.758 3.071 1.00 10.00 C ATOM 943 CG LYS A 63 11.040 -5.725 4.025 1.00 10.00 C ATOM 944 CD LYS A 63 10.236 -7.009 4.309 1.00 10.00 C ATOM 945 CE LYS A 63 11.110 -8.265 4.453 1.00 10.00 C ATOM 946 NZ LYS A 63 11.852 -8.585 3.213 1.00 10.00 N ATOM 0 H LYS A 63 9.674 -3.209 1.344 1.00 10.00 H new ATOM 0 HA LYS A 63 11.649 -5.181 1.437 1.00 10.00 H new ATOM 0 HB2 LYS A 63 10.643 -3.739 3.287 1.00 10.00 H new ATOM 0 HB3 LYS A 63 9.248 -4.800 3.264 1.00 10.00 H new ATOM 0 HG2 LYS A 63 12.005 -5.996 3.597 1.00 10.00 H new ATOM 0 HG3 LYS A 63 11.241 -5.214 4.967 1.00 10.00 H new ATOM 0 HD2 LYS A 63 9.659 -6.871 5.224 1.00 10.00 H new ATOM 0 HD3 LYS A 63 9.521 -7.165 3.502 1.00 10.00 H new ATOM 0 HE2 LYS A 63 11.818 -8.119 5.269 1.00 10.00 H new ATOM 0 HE3 LYS A 63 10.481 -9.112 4.725 1.00 10.00 H new ATOM 0 HZ1 LYS A 63 11.616 -9.550 2.907 1.00 10.00 H new ATOM 0 HZ2 LYS A 63 11.588 -7.911 2.467 1.00 10.00 H new ATOM 0 HZ3 LYS A 63 12.874 -8.519 3.393 1.00 10.00 H new ATOM 960 N LEU A 64 8.670 -6.359 0.717 1.00 10.00 N ATOM 961 CA LEU A 64 7.998 -7.504 0.139 1.00 10.00 C ATOM 962 C LEU A 64 8.792 -8.054 -1.054 1.00 10.00 C ATOM 963 O LEU A 64 8.874 -9.269 -1.217 1.00 10.00 O ATOM 964 CB LEU A 64 6.567 -7.105 -0.278 1.00 10.00 C ATOM 965 CG LEU A 64 5.434 -7.919 0.340 1.00 10.00 C ATOM 966 CD1 LEU A 64 5.764 -9.404 0.318 1.00 10.00 C ATOM 967 CD2 LEU A 64 5.136 -7.427 1.761 1.00 10.00 C ATOM 0 H LEU A 64 8.080 -5.529 0.777 1.00 10.00 H new ATOM 0 HA LEU A 64 7.936 -8.298 0.884 1.00 10.00 H new ATOM 0 HB2 LEU A 64 6.415 -6.057 -0.022 1.00 10.00 H new ATOM 0 HB3 LEU A 64 6.492 -7.182 -1.363 1.00 10.00 H new ATOM 0 HG LEU A 64 4.534 -7.776 -0.257 1.00 10.00 H new ATOM 0 HD11 LEU A 64 4.943 -9.966 0.763 1.00 10.00 H new ATOM 0 HD12 LEU A 64 5.910 -9.729 -0.712 1.00 10.00 H new ATOM 0 HD13 LEU A 64 6.676 -9.582 0.887 1.00 10.00 H new ATOM 0 HD21 LEU A 64 4.326 -8.018 2.188 1.00 10.00 H new ATOM 0 HD22 LEU A 64 6.028 -7.535 2.378 1.00 10.00 H new ATOM 0 HD23 LEU A 64 4.842 -6.378 1.729 1.00 10.00 H new ATOM 979 N GLY A 65 9.378 -7.170 -1.871 1.00 10.00 N ATOM 980 CA GLY A 65 10.242 -7.537 -2.988 1.00 10.00 C ATOM 981 C GLY A 65 9.911 -6.737 -4.247 1.00 10.00 C ATOM 982 O GLY A 65 10.792 -6.452 -5.055 1.00 10.00 O ATOM 0 H GLY A 65 9.260 -6.162 -1.768 1.00 10.00 H new ATOM 0 HA2 GLY A 65 11.283 -7.368 -2.713 1.00 10.00 H new ATOM 0 HA3 GLY A 65 10.136 -8.602 -3.195 1.00 10.00 H new ATOM 986 N TYR A 66 8.633 -6.399 -4.429 1.00 10.00 N ATOM 987 CA TYR A 66 8.149 -5.633 -5.568 1.00 10.00 C ATOM 988 C TYR A 66 8.101 -4.155 -5.207 1.00 10.00 C ATOM 989 O TYR A 66 8.065 -3.818 -4.029 1.00 10.00 O ATOM 990 CB TYR A 66 6.778 -6.151 -6.001 1.00 10.00 C ATOM 991 CG TYR A 66 5.699 -6.240 -4.939 1.00 10.00 C ATOM 992 CD1 TYR A 66 5.626 -7.370 -4.100 1.00 10.00 C ATOM 993 CD2 TYR A 66 4.611 -5.350 -4.992 1.00 10.00 C ATOM 994 CE1 TYR A 66 4.419 -7.692 -3.459 1.00 10.00 C ATOM 995 CE2 TYR A 66 3.400 -5.679 -4.358 1.00 10.00 C ATOM 996 CZ TYR A 66 3.285 -6.896 -3.670 1.00 10.00 C ATOM 997 OH TYR A 66 2.068 -7.333 -3.246 1.00 10.00 O ATOM 0 H TYR A 66 7.895 -6.657 -3.774 1.00 10.00 H new ATOM 0 HA TYR A 66 8.831 -5.754 -6.410 1.00 10.00 H new ATOM 0 HB2 TYR A 66 6.412 -5.507 -6.800 1.00 10.00 H new ATOM 0 HB3 TYR A 66 6.913 -7.145 -6.429 1.00 10.00 H new ATOM 0 HD1 TYR A 66 6.499 -7.988 -3.950 1.00 10.00 H new ATOM 0 HD2 TYR A 66 4.706 -4.413 -5.520 1.00 10.00 H new ATOM 0 HE1 TYR A 66 4.365 -8.550 -2.806 1.00 10.00 H new ATOM 0 HE2 TYR A 66 2.563 -4.998 -4.400 1.00 10.00 H new ATOM 0 HH TYR A 66 1.827 -8.150 -3.730 1.00 10.00 H new ATOM 1007 N LYS A 67 8.126 -3.269 -6.206 1.00 10.00 N ATOM 1008 CA LYS A 67 8.188 -1.842 -5.969 1.00 10.00 C ATOM 1009 C LYS A 67 6.802 -1.212 -6.062 1.00 10.00 C ATOM 1010 O LYS A 67 5.900 -1.726 -6.729 1.00 10.00 O ATOM 1011 CB LYS A 67 9.186 -1.213 -6.944 1.00 10.00 C ATOM 1012 CG LYS A 67 10.568 -1.125 -6.271 1.00 10.00 C ATOM 1013 CD LYS A 67 11.667 -0.623 -7.219 1.00 10.00 C ATOM 1014 CE LYS A 67 12.404 -1.767 -7.929 1.00 10.00 C ATOM 1015 NZ LYS A 67 11.488 -2.648 -8.681 1.00 10.00 N ATOM 0 H LYS A 67 8.104 -3.528 -7.192 1.00 10.00 H new ATOM 0 HA LYS A 67 8.540 -1.652 -4.955 1.00 10.00 H new ATOM 0 HB2 LYS A 67 9.249 -1.810 -7.854 1.00 10.00 H new ATOM 0 HB3 LYS A 67 8.848 -0.219 -7.238 1.00 10.00 H new ATOM 0 HG2 LYS A 67 10.505 -0.458 -5.411 1.00 10.00 H new ATOM 0 HG3 LYS A 67 10.845 -2.109 -5.892 1.00 10.00 H new ATOM 0 HD2 LYS A 67 11.224 0.037 -7.965 1.00 10.00 H new ATOM 0 HD3 LYS A 67 12.385 -0.029 -6.654 1.00 10.00 H new ATOM 0 HE2 LYS A 67 13.144 -1.350 -8.612 1.00 10.00 H new ATOM 0 HE3 LYS A 67 12.948 -2.358 -7.192 1.00 10.00 H new ATOM 0 HZ1 LYS A 67 12.041 -3.298 -9.276 1.00 10.00 H new ATOM 0 HZ2 LYS A 67 10.909 -3.197 -8.014 1.00 10.00 H new ATOM 0 HZ3 LYS A 67 10.868 -2.070 -9.284 1.00 10.00 H new ATOM 1029 N LEU A 68 6.670 -0.086 -5.360 1.00 10.00 N ATOM 1030 CA LEU A 68 5.464 0.699 -5.209 1.00 10.00 C ATOM 1031 C LEU A 68 5.820 2.140 -5.542 1.00 10.00 C ATOM 1032 O LEU A 68 6.927 2.575 -5.212 1.00 10.00 O ATOM 1033 CB LEU A 68 5.051 0.646 -3.731 1.00 10.00 C ATOM 1034 CG LEU A 68 3.641 1.197 -3.510 1.00 10.00 C ATOM 1035 CD1 LEU A 68 2.600 0.160 -3.919 1.00 10.00 C ATOM 1036 CD2 LEU A 68 3.399 1.644 -2.070 1.00 10.00 C ATOM 0 H LEU A 68 7.457 0.320 -4.854 1.00 10.00 H new ATOM 0 HA LEU A 68 4.664 0.328 -5.850 1.00 10.00 H new ATOM 0 HB2 LEU A 68 5.097 -0.384 -3.378 1.00 10.00 H new ATOM 0 HB3 LEU A 68 5.762 1.219 -3.135 1.00 10.00 H new ATOM 0 HG LEU A 68 3.545 2.082 -4.138 1.00 10.00 H new ATOM 0 HD11 LEU A 68 1.601 0.564 -3.757 1.00 10.00 H new ATOM 0 HD12 LEU A 68 2.726 -0.085 -4.974 1.00 10.00 H new ATOM 0 HD13 LEU A 68 2.729 -0.741 -3.319 1.00 10.00 H new ATOM 0 HD21 LEU A 68 2.383 2.025 -1.973 1.00 10.00 H new ATOM 0 HD22 LEU A 68 3.534 0.796 -1.398 1.00 10.00 H new ATOM 0 HD23 LEU A 68 4.108 2.430 -1.809 1.00 10.00 H new ATOM 1048 N LYS A 69 4.878 2.908 -6.089 1.00 10.00 N ATOM 1049 CA LYS A 69 4.966 4.350 -6.045 1.00 10.00 C ATOM 1050 C LYS A 69 3.587 4.982 -6.068 1.00 10.00 C ATOM 1051 O LYS A 69 2.674 4.407 -6.649 1.00 10.00 O ATOM 1052 CB LYS A 69 5.831 4.849 -7.208 1.00 10.00 C ATOM 1053 CG LYS A 69 6.467 6.191 -6.861 1.00 10.00 C ATOM 1054 CD LYS A 69 7.294 6.032 -5.571 1.00 10.00 C ATOM 1055 CE LYS A 69 8.656 6.731 -5.656 1.00 10.00 C ATOM 1056 NZ LYS A 69 9.544 6.077 -6.643 1.00 10.00 N ATOM 0 H LYS A 69 4.051 2.548 -6.565 1.00 10.00 H new ATOM 0 HA LYS A 69 5.438 4.648 -5.109 1.00 10.00 H new ATOM 0 HB2 LYS A 69 6.608 4.118 -7.431 1.00 10.00 H new ATOM 0 HB3 LYS A 69 5.221 4.950 -8.106 1.00 10.00 H new ATOM 0 HG2 LYS A 69 7.104 6.529 -7.678 1.00 10.00 H new ATOM 0 HG3 LYS A 69 5.696 6.949 -6.724 1.00 10.00 H new ATOM 0 HD2 LYS A 69 6.732 6.440 -4.731 1.00 10.00 H new ATOM 0 HD3 LYS A 69 7.446 4.972 -5.369 1.00 10.00 H new ATOM 0 HE2 LYS A 69 8.513 7.776 -5.931 1.00 10.00 H new ATOM 0 HE3 LYS A 69 9.132 6.722 -4.675 1.00 10.00 H new ATOM 0 HZ1 LYS A 69 10.529 6.362 -6.467 1.00 10.00 H new ATOM 0 HZ2 LYS A 69 9.461 5.044 -6.554 1.00 10.00 H new ATOM 0 HZ3 LYS A 69 9.267 6.365 -7.603 1.00 10.00 H new ATOM 1070 N LEU A 70 3.434 6.143 -5.420 1.00 10.00 N ATOM 1071 CA LEU A 70 2.166 6.849 -5.416 1.00 10.00 C ATOM 1072 C LEU A 70 1.813 7.281 -6.837 1.00 10.00 C ATOM 1073 O LEU A 70 2.679 7.487 -7.685 1.00 10.00 O ATOM 1074 CB LEU A 70 2.205 8.088 -4.512 1.00 10.00 C ATOM 1075 CG LEU A 70 0.835 8.623 -4.068 1.00 10.00 C ATOM 1076 CD1 LEU A 70 0.213 7.734 -2.997 1.00 10.00 C ATOM 1077 CD2 LEU A 70 0.966 10.045 -3.518 1.00 10.00 C ATOM 0 H LEU A 70 4.176 6.605 -4.895 1.00 10.00 H new ATOM 0 HA LEU A 70 1.411 6.166 -5.027 1.00 10.00 H new ATOM 0 HB2 LEU A 70 2.789 7.850 -3.623 1.00 10.00 H new ATOM 0 HB3 LEU A 70 2.734 8.883 -5.037 1.00 10.00 H new ATOM 0 HG LEU A 70 0.189 8.625 -4.946 1.00 10.00 H new ATOM 0 HD11 LEU A 70 -0.755 8.140 -2.704 1.00 10.00 H new ATOM 0 HD12 LEU A 70 0.080 6.727 -3.392 1.00 10.00 H new ATOM 0 HD13 LEU A 70 0.869 7.699 -2.127 1.00 10.00 H new ATOM 0 HD21 LEU A 70 -0.014 10.407 -3.209 1.00 10.00 H new ATOM 0 HD22 LEU A 70 1.639 10.043 -2.661 1.00 10.00 H new ATOM 0 HD23 LEU A 70 1.367 10.699 -4.292 1.00 10.00 H new ATOM 1089 N LYS A 71 0.517 7.447 -7.032 1.00 10.00 N ATOM 1090 CA LYS A 71 -0.174 7.883 -8.207 1.00 10.00 C ATOM 1091 C LYS A 71 -0.925 9.161 -7.854 1.00 10.00 C ATOM 1092 O LYS A 71 -0.756 10.197 -8.491 1.00 10.00 O ATOM 1093 CB LYS A 71 -1.163 6.762 -8.516 1.00 10.00 C ATOM 1094 CG LYS A 71 -1.924 7.057 -9.797 1.00 10.00 C ATOM 1095 CD LYS A 71 -1.701 5.830 -10.674 1.00 10.00 C ATOM 1096 CE LYS A 71 -2.308 5.835 -12.073 1.00 10.00 C ATOM 1097 NZ LYS A 71 -1.877 4.595 -12.751 1.00 10.00 N ATOM 0 H LYS A 71 -0.141 7.254 -6.277 1.00 10.00 H new ATOM 0 HA LYS A 71 0.482 8.083 -9.054 1.00 10.00 H new ATOM 0 HB2 LYS A 71 -0.630 5.816 -8.613 1.00 10.00 H new ATOM 0 HB3 LYS A 71 -1.863 6.650 -7.688 1.00 10.00 H new ATOM 0 HG2 LYS A 71 -2.984 7.215 -9.600 1.00 10.00 H new ATOM 0 HG3 LYS A 71 -1.552 7.961 -10.279 1.00 10.00 H new ATOM 0 HD2 LYS A 71 -0.626 5.682 -10.776 1.00 10.00 H new ATOM 0 HD3 LYS A 71 -2.093 4.963 -10.142 1.00 10.00 H new ATOM 0 HE2 LYS A 71 -3.396 5.883 -12.018 1.00 10.00 H new ATOM 0 HE3 LYS A 71 -1.977 6.711 -12.631 1.00 10.00 H new ATOM 0 HZ1 LYS A 71 -2.430 4.466 -13.622 1.00 10.00 H new ATOM 0 HZ2 LYS A 71 -0.867 4.662 -12.989 1.00 10.00 H new ATOM 0 HZ3 LYS A 71 -2.031 3.783 -12.120 1.00 10.00 H new ATOM 1111 N GLY A 72 -1.772 9.054 -6.830 1.00 10.00 N ATOM 1112 CA GLY A 72 -2.633 10.114 -6.367 1.00 10.00 C ATOM 1113 C GLY A 72 -3.558 9.515 -5.319 1.00 10.00 C ATOM 1114 O GLY A 72 -3.131 9.280 -4.191 1.00 10.00 O ATOM 0 H GLY A 72 -1.872 8.194 -6.290 1.00 10.00 H new ATOM 0 HA2 GLY A 72 -2.046 10.929 -5.942 1.00 10.00 H new ATOM 0 HA3 GLY A 72 -3.207 10.532 -7.194 1.00 10.00 H new ATOM 1118 N GLU A 73 -4.790 9.197 -5.709 1.00 10.00 N ATOM 1119 CA GLU A 73 -5.895 8.898 -4.815 1.00 10.00 C ATOM 1120 C GLU A 73 -6.908 8.058 -5.585 1.00 10.00 C ATOM 1121 O GLU A 73 -6.811 7.953 -6.808 1.00 10.00 O ATOM 1122 CB GLU A 73 -6.514 10.206 -4.295 1.00 10.00 C ATOM 1123 CG GLU A 73 -6.995 11.127 -5.429 1.00 10.00 C ATOM 1124 CD GLU A 73 -7.607 12.414 -4.889 1.00 10.00 C ATOM 1125 OE1 GLU A 73 -8.424 12.305 -3.950 1.00 10.00 O ATOM 1126 OE2 GLU A 73 -7.246 13.482 -5.428 1.00 10.00 O ATOM 0 H GLU A 73 -5.051 9.140 -6.693 1.00 10.00 H new ATOM 0 HA GLU A 73 -5.555 8.336 -3.945 1.00 10.00 H new ATOM 0 HB2 GLU A 73 -7.355 9.971 -3.642 1.00 10.00 H new ATOM 0 HB3 GLU A 73 -5.779 10.736 -3.690 1.00 10.00 H new ATOM 0 HG2 GLU A 73 -6.156 11.369 -6.082 1.00 10.00 H new ATOM 0 HG3 GLU A 73 -7.731 10.601 -6.037 1.00 10.00 H new ATOM 1133 N GLN A 74 -7.851 7.452 -4.861 1.00 10.00 N ATOM 1134 CA GLN A 74 -8.832 6.543 -5.429 1.00 10.00 C ATOM 1135 C GLN A 74 -10.076 7.311 -5.860 1.00 10.00 C ATOM 1136 O GLN A 74 -10.382 8.368 -5.314 1.00 10.00 O ATOM 1137 CB GLN A 74 -9.198 5.430 -4.432 1.00 10.00 C ATOM 1138 CG GLN A 74 -9.521 5.954 -3.027 1.00 10.00 C ATOM 1139 CD GLN A 74 -10.200 4.890 -2.172 1.00 10.00 C ATOM 1140 OE1 GLN A 74 -11.348 4.534 -2.415 1.00 10.00 O ATOM 1141 NE2 GLN A 74 -9.520 4.383 -1.148 1.00 10.00 N ATOM 0 H GLN A 74 -7.951 7.584 -3.855 1.00 10.00 H new ATOM 0 HA GLN A 74 -8.392 6.071 -6.308 1.00 10.00 H new ATOM 0 HB2 GLN A 74 -10.058 4.879 -4.813 1.00 10.00 H new ATOM 0 HB3 GLN A 74 -8.370 4.724 -4.367 1.00 10.00 H new ATOM 0 HG2 GLN A 74 -8.602 6.281 -2.540 1.00 10.00 H new ATOM 0 HG3 GLN A 74 -10.169 6.827 -3.104 1.00 10.00 H new ATOM 0 HE21 GLN A 74 -8.566 4.694 -0.965 1.00 10.00 H new ATOM 0 HE22 GLN A 74 -9.952 3.683 -0.545 1.00 10.00 H new ATOM 1150 N ASP A 75 -10.821 6.720 -6.796 1.00 10.00 N ATOM 1151 CA ASP A 75 -12.099 7.237 -7.273 1.00 10.00 C ATOM 1152 C ASP A 75 -13.075 7.483 -6.112 1.00 10.00 C ATOM 1153 O ASP A 75 -13.846 8.439 -6.130 1.00 10.00 O ATOM 1154 CB ASP A 75 -12.668 6.252 -8.300 1.00 10.00 C ATOM 1155 CG ASP A 75 -13.861 6.837 -9.045 1.00 10.00 C ATOM 1156 OD1 ASP A 75 -13.656 7.877 -9.706 1.00 10.00 O ATOM 1157 OD2 ASP A 75 -14.936 6.207 -8.983 1.00 10.00 O ATOM 0 H ASP A 75 -10.544 5.850 -7.251 1.00 10.00 H new ATOM 0 HA ASP A 75 -11.948 8.205 -7.750 1.00 10.00 H new ATOM 0 HB2 ASP A 75 -11.890 5.982 -9.014 1.00 10.00 H new ATOM 0 HB3 ASP A 75 -12.969 5.334 -7.795 1.00 10.00 H new ATOM 1162 N SER A 76 -12.989 6.639 -5.075 1.00 10.00 N ATOM 1163 CA SER A 76 -13.780 6.710 -3.850 1.00 10.00 C ATOM 1164 C SER A 76 -15.224 6.279 -4.107 1.00 10.00 C ATOM 1165 O SER A 76 -15.586 5.846 -5.199 1.00 10.00 O ATOM 1166 CB SER A 76 -13.688 8.104 -3.192 1.00 10.00 C ATOM 1167 OG SER A 76 -14.252 8.115 -1.886 1.00 10.00 O ATOM 0 H SER A 76 -12.336 5.855 -5.072 1.00 10.00 H new ATOM 0 HA SER A 76 -13.357 6.005 -3.134 1.00 10.00 H new ATOM 0 HB2 SER A 76 -12.644 8.411 -3.138 1.00 10.00 H new ATOM 0 HB3 SER A 76 -14.204 8.834 -3.816 1.00 10.00 H new ATOM 0 HG SER A 76 -15.195 8.378 -1.939 1.00 10.00 H new ATOM 1173 N ILE A 77 -16.051 6.398 -3.072 1.00 10.00 N ATOM 1174 CA ILE A 77 -17.481 6.420 -3.141 1.00 10.00 C ATOM 1175 C ILE A 77 -17.906 7.688 -2.390 1.00 10.00 C ATOM 1176 O ILE A 77 -17.057 8.454 -1.922 1.00 10.00 O ATOM 1177 CB ILE A 77 -18.038 5.129 -2.520 1.00 10.00 C ATOM 1178 CG1 ILE A 77 -17.649 4.943 -1.041 1.00 10.00 C ATOM 1179 CG2 ILE A 77 -17.605 3.909 -3.347 1.00 10.00 C ATOM 1180 CD1 ILE A 77 -18.647 4.031 -0.319 1.00 10.00 C ATOM 0 H ILE A 77 -15.706 6.486 -2.116 1.00 10.00 H new ATOM 0 HA ILE A 77 -17.869 6.451 -4.159 1.00 10.00 H new ATOM 0 HB ILE A 77 -19.124 5.220 -2.541 1.00 10.00 H new ATOM 0 HG12 ILE A 77 -16.648 4.516 -0.976 1.00 10.00 H new ATOM 0 HG13 ILE A 77 -17.614 5.913 -0.546 1.00 10.00 H new ATOM 0 HG21 ILE A 77 -18.007 3.002 -2.895 1.00 10.00 H new ATOM 0 HG22 ILE A 77 -17.984 4.006 -4.364 1.00 10.00 H new ATOM 0 HG23 ILE A 77 -16.517 3.852 -3.369 1.00 10.00 H new ATOM 0 HD11 ILE A 77 -18.348 3.917 0.723 1.00 10.00 H new ATOM 0 HD12 ILE A 77 -19.642 4.473 -0.365 1.00 10.00 H new ATOM 0 HD13 ILE A 77 -18.661 3.054 -0.801 1.00 10.00 H new ATOM 1192 N GLU A 78 -19.217 7.865 -2.277 1.00 10.00 N ATOM 1193 CA GLU A 78 -19.891 8.931 -1.544 1.00 10.00 C ATOM 1194 C GLU A 78 -19.892 8.637 -0.036 1.00 10.00 C ATOM 1195 O GLU A 78 -19.474 7.559 0.389 1.00 10.00 O ATOM 1196 CB GLU A 78 -21.322 9.084 -2.098 1.00 10.00 C ATOM 1197 CG GLU A 78 -21.476 10.369 -2.923 1.00 10.00 C ATOM 1198 CD GLU A 78 -21.632 11.607 -2.045 1.00 10.00 C ATOM 1199 OE1 GLU A 78 -21.175 11.543 -0.881 1.00 10.00 O ATOM 1200 OE2 GLU A 78 -22.219 12.584 -2.551 1.00 10.00 O ATOM 0 H GLU A 78 -19.879 7.229 -2.722 1.00 10.00 H new ATOM 0 HA GLU A 78 -19.358 9.872 -1.681 1.00 10.00 H new ATOM 0 HB2 GLU A 78 -21.566 8.222 -2.718 1.00 10.00 H new ATOM 0 HB3 GLU A 78 -22.033 9.094 -1.272 1.00 10.00 H new ATOM 0 HG2 GLU A 78 -20.605 10.491 -3.567 1.00 10.00 H new ATOM 0 HG3 GLU A 78 -22.345 10.277 -3.575 1.00 10.00 H new ATOM 1207 N GLY A 79 -20.365 9.594 0.769 1.00 10.00 N ATOM 1208 CA GLY A 79 -20.366 9.500 2.222 1.00 10.00 C ATOM 1209 C GLY A 79 -21.555 10.214 2.864 1.00 10.00 C ATOM 1210 O GLY A 79 -22.538 9.564 3.221 1.00 10.00 O ATOM 0 H GLY A 79 -20.762 10.466 0.419 1.00 10.00 H new ATOM 0 HA2 GLY A 79 -20.379 8.450 2.513 1.00 10.00 H new ATOM 0 HA3 GLY A 79 -19.441 9.926 2.609 1.00 10.00 H new ATOM 1214 N ARG A 80 -21.445 11.526 3.096 1.00 10.00 N ATOM 1215 CA ARG A 80 -22.382 12.310 3.884 1.00 10.00 C ATOM 1216 C ARG A 80 -22.055 13.777 3.620 1.00 10.00 C ATOM 1217 O ARG A 80 -20.911 14.009 3.166 1.00 10.00 O ATOM 1218 CB ARG A 80 -22.190 11.994 5.376 1.00 10.00 C ATOM 1219 CG ARG A 80 -23.307 12.576 6.257 1.00 10.00 C ATOM 1220 CD ARG A 80 -22.789 13.672 7.199 1.00 10.00 C ATOM 1221 NE ARG A 80 -23.796 14.032 8.212 1.00 10.00 N ATOM 1222 CZ ARG A 80 -24.071 13.312 9.312 1.00 10.00 C ATOM 1223 NH1 ARG A 80 -23.404 12.176 9.547 1.00 10.00 N ATOM 1224 NH2 ARG A 80 -25.013 13.723 10.170 1.00 10.00 N ATOM 1225 OXT ARG A 80 -22.922 14.627 3.919 1.00 10.00 O ATOM 0 H ARG A 80 -20.675 12.083 2.726 1.00 10.00 H new ATOM 0 HA ARG A 80 -23.414 12.083 3.616 1.00 10.00 H new ATOM 0 HB2 ARG A 80 -22.152 10.913 5.512 1.00 10.00 H new ATOM 0 HB3 ARG A 80 -21.230 12.390 5.706 1.00 10.00 H new ATOM 0 HG2 ARG A 80 -24.092 12.986 5.622 1.00 10.00 H new ATOM 0 HG3 ARG A 80 -23.758 11.777 6.845 1.00 10.00 H new ATOM 0 HD2 ARG A 80 -21.880 13.329 7.693 1.00 10.00 H new ATOM 0 HD3 ARG A 80 -22.522 14.556 6.619 1.00 10.00 H new ATOM 0 HE ARG A 80 -24.324 14.893 8.067 1.00 10.00 H new ATOM 0 HH11 ARG A 80 -22.689 11.859 8.892 1.00 10.00 H new ATOM 0 HH12 ARG A 80 -23.610 11.627 10.381 1.00 10.00 H new ATOM 0 HH21 ARG A 80 -25.525 14.586 9.990 1.00 10.00 H new ATOM 0 HH22 ARG A 80 -25.218 13.173 11.004 1.00 10.00 H new TER 1239 ARG A 80