USER MOD reduce.3.24.130724 H: found=0, std=0, add=597, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 596 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 34 SER OG : rot -125:sc= 1.22 USER MOD Set 1.2: A 36 GLN : amide:sc= 0.95 K(o=2.2,f=-4.2!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0.0437 USER MOD Single : A 6 GLN : amide:sc= -0.253 K(o=-0.25,f=-1.9!) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -156:sc= -0.0429 (180deg=-0.345) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot -51:sc= 0.847 USER MOD Single : A 17 ASN : amide:sc= -0.237 X(o=-0.24,f=-0.036) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0.0011 USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 CYS SG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 GLN : amide:sc= -0.0909 K(o=-0.091,f=-1.7!) USER MOD Single : A 39 THR OG1 : rot -170:sc= -0.607 USER MOD Single : A 40 HIS : no HD1:sc= 0 X(o=0,f=-0.0015) USER MOD Single : A 43 ASN : amide:sc= -0.0221 X(o=-0.022,f=-0.31) USER MOD Single : A 44 GLN : amide:sc= -0.403 K(o=-0.4,f=-1.4) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 CYS SG : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 GLN : amide:sc= -0.143 K(o=-0.14,f=-0.89) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 85.911 13.769 -6.404 1.00 0.00 N ATOM 2 CA MET A 1 85.100 15.018 -6.472 1.00 0.00 C ATOM 3 C MET A 1 83.977 14.951 -5.435 1.00 0.00 C ATOM 4 O MET A 1 83.964 15.697 -4.474 1.00 0.00 O ATOM 5 CB MET A 1 84.496 15.159 -7.872 1.00 0.00 C ATOM 6 CG MET A 1 84.474 16.635 -8.274 1.00 0.00 C ATOM 7 SD MET A 1 82.955 17.404 -7.661 1.00 0.00 S ATOM 8 CE MET A 1 83.566 19.106 -7.616 1.00 0.00 C ATOM 0 H1 MET A 1 86.675 13.812 -7.108 1.00 0.00 H new ATOM 0 H2 MET A 1 86.321 13.673 -5.453 1.00 0.00 H new ATOM 0 H3 MET A 1 85.303 12.949 -6.603 1.00 0.00 H new ATOM 0 HA MET A 1 85.737 15.878 -6.264 1.00 0.00 H new ATOM 0 HB2 MET A 1 85.080 14.584 -8.591 1.00 0.00 H new ATOM 0 HB3 MET A 1 83.485 14.753 -7.886 1.00 0.00 H new ATOM 0 HG2 MET A 1 85.345 17.147 -7.865 1.00 0.00 H new ATOM 0 HG3 MET A 1 84.530 16.729 -9.359 1.00 0.00 H new ATOM 0 HE1 MET A 1 82.776 19.767 -7.259 1.00 0.00 H new ATOM 0 HE2 MET A 1 84.422 19.168 -6.944 1.00 0.00 H new ATOM 0 HE3 MET A 1 83.869 19.410 -8.618 1.00 0.00 H new ATOM 20 N GLU A 2 83.037 14.060 -5.625 1.00 0.00 N ATOM 21 CA GLU A 2 81.911 13.934 -4.655 1.00 0.00 C ATOM 22 C GLU A 2 82.182 12.752 -3.718 1.00 0.00 C ATOM 23 O GLU A 2 81.448 11.780 -3.692 1.00 0.00 O ATOM 24 CB GLU A 2 80.605 13.702 -5.422 1.00 0.00 C ATOM 25 CG GLU A 2 80.028 15.048 -5.866 1.00 0.00 C ATOM 26 CD GLU A 2 79.149 15.620 -4.752 1.00 0.00 C ATOM 27 OE1 GLU A 2 79.669 15.851 -3.673 1.00 0.00 O ATOM 28 OE2 GLU A 2 77.970 15.817 -4.998 1.00 0.00 O ATOM 0 H GLU A 2 83.002 13.413 -6.413 1.00 0.00 H new ATOM 0 HA GLU A 2 81.824 14.848 -4.067 1.00 0.00 H new ATOM 0 HB2 GLU A 2 80.788 13.069 -6.290 1.00 0.00 H new ATOM 0 HB3 GLU A 2 79.888 13.177 -4.790 1.00 0.00 H new ATOM 0 HG2 GLU A 2 80.835 15.742 -6.099 1.00 0.00 H new ATOM 0 HG3 GLU A 2 79.443 14.922 -6.777 1.00 0.00 H new ATOM 35 N THR A 3 83.240 12.829 -2.950 1.00 0.00 N ATOM 36 CA THR A 3 83.577 11.718 -2.015 1.00 0.00 C ATOM 37 C THR A 3 83.063 12.050 -0.612 1.00 0.00 C ATOM 38 O THR A 3 83.346 13.102 -0.070 1.00 0.00 O ATOM 39 CB THR A 3 85.096 11.535 -1.975 1.00 0.00 C ATOM 40 OG1 THR A 3 85.729 12.792 -2.175 1.00 0.00 O ATOM 41 CG2 THR A 3 85.524 10.565 -3.076 1.00 0.00 C ATOM 0 H THR A 3 83.886 13.618 -2.932 1.00 0.00 H new ATOM 0 HA THR A 3 83.106 10.797 -2.360 1.00 0.00 H new ATOM 0 HB THR A 3 85.388 11.131 -1.005 1.00 0.00 H new ATOM 0 HG1 THR A 3 86.702 12.676 -2.148 1.00 0.00 H new ATOM 0 HG21 THR A 3 86.606 10.436 -3.046 1.00 0.00 H new ATOM 0 HG22 THR A 3 85.039 9.601 -2.921 1.00 0.00 H new ATOM 0 HG23 THR A 3 85.233 10.965 -4.047 1.00 0.00 H new ATOM 49 N LEU A 4 82.311 11.155 -0.022 1.00 0.00 N ATOM 50 CA LEU A 4 81.773 11.402 1.348 1.00 0.00 C ATOM 51 C LEU A 4 82.368 10.375 2.316 1.00 0.00 C ATOM 52 O LEU A 4 83.154 9.531 1.928 1.00 0.00 O ATOM 53 CB LEU A 4 80.245 11.267 1.327 1.00 0.00 C ATOM 54 CG LEU A 4 79.602 12.657 1.309 1.00 0.00 C ATOM 55 CD1 LEU A 4 78.323 12.619 0.471 1.00 0.00 C ATOM 56 CD2 LEU A 4 79.260 13.078 2.740 1.00 0.00 C ATOM 0 H LEU A 4 82.046 10.260 -0.434 1.00 0.00 H new ATOM 0 HA LEU A 4 82.042 12.407 1.674 1.00 0.00 H new ATOM 0 HB2 LEU A 4 79.933 10.700 0.450 1.00 0.00 H new ATOM 0 HB3 LEU A 4 79.908 10.711 2.202 1.00 0.00 H new ATOM 0 HG LEU A 4 80.299 13.373 0.874 1.00 0.00 H new ATOM 0 HD11 LEU A 4 77.866 13.609 0.459 1.00 0.00 H new ATOM 0 HD12 LEU A 4 78.565 12.318 -0.548 1.00 0.00 H new ATOM 0 HD13 LEU A 4 77.625 11.903 0.905 1.00 0.00 H new ATOM 0 HD21 LEU A 4 78.802 14.067 2.729 1.00 0.00 H new ATOM 0 HD22 LEU A 4 78.563 12.361 3.174 1.00 0.00 H new ATOM 0 HD23 LEU A 4 80.171 13.106 3.338 1.00 0.00 H new ATOM 68 N VAL A 5 81.996 10.439 3.570 1.00 0.00 N ATOM 69 CA VAL A 5 82.536 9.467 4.567 1.00 0.00 C ATOM 70 C VAL A 5 81.397 8.942 5.440 1.00 0.00 C ATOM 71 O VAL A 5 81.285 7.755 5.683 1.00 0.00 O ATOM 72 CB VAL A 5 83.578 10.157 5.451 1.00 0.00 C ATOM 73 CG1 VAL A 5 84.266 9.114 6.336 1.00 0.00 C ATOM 74 CG2 VAL A 5 84.625 10.843 4.571 1.00 0.00 C ATOM 0 H VAL A 5 81.340 11.124 3.946 1.00 0.00 H new ATOM 0 HA VAL A 5 83.003 8.636 4.039 1.00 0.00 H new ATOM 0 HB VAL A 5 83.085 10.901 6.077 1.00 0.00 H new ATOM 0 HG11 VAL A 5 85.008 9.604 6.966 1.00 0.00 H new ATOM 0 HG12 VAL A 5 83.523 8.624 6.965 1.00 0.00 H new ATOM 0 HG13 VAL A 5 84.757 8.371 5.708 1.00 0.00 H new ATOM 0 HG21 VAL A 5 85.366 11.334 5.202 1.00 0.00 H new ATOM 0 HG22 VAL A 5 85.117 10.099 3.945 1.00 0.00 H new ATOM 0 HG23 VAL A 5 84.139 11.585 3.938 1.00 0.00 H new ATOM 84 N GLN A 6 80.555 9.821 5.914 1.00 0.00 N ATOM 85 CA GLN A 6 79.418 9.388 6.778 1.00 0.00 C ATOM 86 C GLN A 6 78.100 9.559 6.019 1.00 0.00 C ATOM 87 O GLN A 6 77.593 10.657 5.881 1.00 0.00 O ATOM 88 CB GLN A 6 79.390 10.244 8.047 1.00 0.00 C ATOM 89 CG GLN A 6 78.582 9.527 9.129 1.00 0.00 C ATOM 90 CD GLN A 6 79.427 8.410 9.742 1.00 0.00 C ATOM 91 OE1 GLN A 6 80.639 8.490 9.762 1.00 0.00 O ATOM 92 NE2 GLN A 6 78.834 7.364 10.250 1.00 0.00 N ATOM 0 H GLN A 6 80.606 10.825 5.739 1.00 0.00 H new ATOM 0 HA GLN A 6 79.546 8.339 7.046 1.00 0.00 H new ATOM 0 HB2 GLN A 6 80.406 10.426 8.398 1.00 0.00 H new ATOM 0 HB3 GLN A 6 78.947 11.217 7.832 1.00 0.00 H new ATOM 0 HG2 GLN A 6 78.280 10.235 9.901 1.00 0.00 H new ATOM 0 HG3 GLN A 6 77.669 9.113 8.701 1.00 0.00 H new ATOM 0 HE21 GLN A 6 77.816 7.296 10.233 1.00 0.00 H new ATOM 0 HE22 GLN A 6 79.388 6.614 10.664 1.00 0.00 H new ATOM 101 N ALA A 7 77.542 8.480 5.529 1.00 0.00 N ATOM 102 CA ALA A 7 76.260 8.567 4.781 1.00 0.00 C ATOM 103 C ALA A 7 75.150 9.017 5.731 1.00 0.00 C ATOM 104 O ALA A 7 75.392 9.315 6.886 1.00 0.00 O ATOM 105 CB ALA A 7 75.911 7.194 4.203 1.00 0.00 C ATOM 0 H ALA A 7 77.925 7.539 5.618 1.00 0.00 H new ATOM 0 HA ALA A 7 76.360 9.287 3.969 1.00 0.00 H new ATOM 0 HB1 ALA A 7 74.971 7.258 3.655 1.00 0.00 H new ATOM 0 HB2 ALA A 7 76.704 6.871 3.528 1.00 0.00 H new ATOM 0 HB3 ALA A 7 75.809 6.473 5.014 1.00 0.00 H new ATOM 111 N ARG A 8 73.937 9.064 5.249 1.00 0.00 N ATOM 112 CA ARG A 8 72.798 9.489 6.106 1.00 0.00 C ATOM 113 C ARG A 8 72.141 8.253 6.721 1.00 0.00 C ATOM 114 O ARG A 8 71.875 8.205 7.908 1.00 0.00 O ATOM 115 CB ARG A 8 71.773 10.247 5.259 1.00 0.00 C ATOM 116 CG ARG A 8 70.743 10.911 6.176 1.00 0.00 C ATOM 117 CD ARG A 8 71.313 12.225 6.714 1.00 0.00 C ATOM 118 NE ARG A 8 70.399 12.773 7.755 1.00 0.00 N ATOM 119 CZ ARG A 8 70.877 13.150 8.909 1.00 0.00 C ATOM 120 NH1 ARG A 8 71.761 12.411 9.523 1.00 0.00 N ATOM 121 NH2 ARG A 8 70.472 14.266 9.451 1.00 0.00 N ATOM 0 H ARG A 8 73.687 8.824 4.290 1.00 0.00 H new ATOM 0 HA ARG A 8 73.162 10.142 6.899 1.00 0.00 H new ATOM 0 HB2 ARG A 8 72.274 11.001 4.651 1.00 0.00 H new ATOM 0 HB3 ARG A 8 71.276 9.562 4.572 1.00 0.00 H new ATOM 0 HG2 ARG A 8 69.820 11.100 5.628 1.00 0.00 H new ATOM 0 HG3 ARG A 8 70.493 10.245 7.002 1.00 0.00 H new ATOM 0 HD2 ARG A 8 72.304 12.058 7.136 1.00 0.00 H new ATOM 0 HD3 ARG A 8 71.429 12.943 5.902 1.00 0.00 H new ATOM 0 HE ARG A 8 69.400 12.853 7.566 1.00 0.00 H new ATOM 0 HH11 ARG A 8 72.078 11.538 9.101 1.00 0.00 H new ATOM 0 HH12 ARG A 8 72.134 12.706 10.425 1.00 0.00 H new ATOM 0 HH21 ARG A 8 69.781 14.844 8.972 1.00 0.00 H new ATOM 0 HH22 ARG A 8 70.846 14.560 10.353 1.00 0.00 H new ATOM 135 N LYS A 9 71.884 7.253 5.919 1.00 0.00 N ATOM 136 CA LYS A 9 71.251 6.011 6.437 1.00 0.00 C ATOM 137 C LYS A 9 71.515 4.866 5.453 1.00 0.00 C ATOM 138 O LYS A 9 72.175 3.897 5.780 1.00 0.00 O ATOM 139 CB LYS A 9 69.738 6.229 6.593 1.00 0.00 C ATOM 140 CG LYS A 9 69.370 6.275 8.079 1.00 0.00 C ATOM 141 CD LYS A 9 68.224 7.269 8.294 1.00 0.00 C ATOM 142 CE LYS A 9 67.933 7.416 9.792 1.00 0.00 C ATOM 143 NZ LYS A 9 68.333 8.778 10.245 1.00 0.00 N ATOM 0 H LYS A 9 72.088 7.247 4.920 1.00 0.00 H new ATOM 0 HA LYS A 9 71.674 5.759 7.409 1.00 0.00 H new ATOM 0 HB2 LYS A 9 69.444 7.159 6.107 1.00 0.00 H new ATOM 0 HB3 LYS A 9 69.193 5.425 6.099 1.00 0.00 H new ATOM 0 HG2 LYS A 9 69.074 5.283 8.422 1.00 0.00 H new ATOM 0 HG3 LYS A 9 70.237 6.571 8.670 1.00 0.00 H new ATOM 0 HD2 LYS A 9 68.487 8.238 7.869 1.00 0.00 H new ATOM 0 HD3 LYS A 9 67.330 6.925 7.773 1.00 0.00 H new ATOM 0 HE2 LYS A 9 66.872 7.254 9.985 1.00 0.00 H new ATOM 0 HE3 LYS A 9 68.479 6.659 10.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 68.136 8.878 11.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 69.350 8.916 10.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 67.793 9.492 9.716 1.00 0.00 H new ATOM 157 N ARG A 10 71.007 4.975 4.251 1.00 0.00 N ATOM 158 CA ARG A 10 71.225 3.903 3.239 1.00 0.00 C ATOM 159 C ARG A 10 70.965 4.463 1.835 1.00 0.00 C ATOM 160 O ARG A 10 71.829 4.437 0.979 1.00 0.00 O ATOM 161 CB ARG A 10 70.271 2.732 3.523 1.00 0.00 C ATOM 162 CG ARG A 10 71.076 1.456 3.789 1.00 0.00 C ATOM 163 CD ARG A 10 71.458 0.803 2.457 1.00 0.00 C ATOM 164 NE ARG A 10 71.331 -0.677 2.575 1.00 0.00 N ATOM 165 CZ ARG A 10 72.274 -1.370 3.153 1.00 0.00 C ATOM 166 NH1 ARG A 10 73.509 -1.261 2.744 1.00 0.00 N ATOM 167 NH2 ARG A 10 71.982 -2.175 4.138 1.00 0.00 N ATOM 0 H ARG A 10 70.448 5.765 3.928 1.00 0.00 H new ATOM 0 HA ARG A 10 72.254 3.549 3.296 1.00 0.00 H new ATOM 0 HB2 ARG A 10 69.644 2.963 4.384 1.00 0.00 H new ATOM 0 HB3 ARG A 10 69.604 2.581 2.674 1.00 0.00 H new ATOM 0 HG2 ARG A 10 71.974 1.693 4.360 1.00 0.00 H new ATOM 0 HG3 ARG A 10 70.489 0.762 4.391 1.00 0.00 H new ATOM 0 HD2 ARG A 10 70.812 1.172 1.660 1.00 0.00 H new ATOM 0 HD3 ARG A 10 72.480 1.071 2.188 1.00 0.00 H new ATOM 0 HE ARG A 10 70.506 -1.149 2.204 1.00 0.00 H new ATOM 0 HH11 ARG A 10 73.737 -0.634 1.972 1.00 0.00 H new ATOM 0 HH12 ARG A 10 74.246 -1.803 3.196 1.00 0.00 H new ATOM 0 HH21 ARG A 10 71.017 -2.263 4.456 1.00 0.00 H new ATOM 0 HH22 ARG A 10 72.719 -2.717 4.590 1.00 0.00 H new ATOM 181 N LYS A 11 69.781 4.968 1.598 1.00 0.00 N ATOM 182 CA LYS A 11 69.449 5.531 0.260 1.00 0.00 C ATOM 183 C LYS A 11 68.257 6.481 0.396 1.00 0.00 C ATOM 184 O LYS A 11 67.388 6.277 1.222 1.00 0.00 O ATOM 185 CB LYS A 11 69.089 4.393 -0.699 1.00 0.00 C ATOM 186 CG LYS A 11 69.473 4.779 -2.132 1.00 0.00 C ATOM 187 CD LYS A 11 70.090 3.571 -2.843 1.00 0.00 C ATOM 188 CE LYS A 11 69.745 3.618 -4.332 1.00 0.00 C ATOM 189 NZ LYS A 11 68.303 3.290 -4.518 1.00 0.00 N ATOM 0 H LYS A 11 69.026 5.013 2.282 1.00 0.00 H new ATOM 0 HA LYS A 11 70.308 6.075 -0.132 1.00 0.00 H new ATOM 0 HB2 LYS A 11 69.609 3.481 -0.407 1.00 0.00 H new ATOM 0 HB3 LYS A 11 68.021 4.183 -0.643 1.00 0.00 H new ATOM 0 HG2 LYS A 11 68.592 5.122 -2.675 1.00 0.00 H new ATOM 0 HG3 LYS A 11 70.182 5.607 -2.119 1.00 0.00 H new ATOM 0 HD2 LYS A 11 71.172 3.572 -2.710 1.00 0.00 H new ATOM 0 HD3 LYS A 11 69.716 2.647 -2.402 1.00 0.00 H new ATOM 0 HE2 LYS A 11 69.959 4.608 -4.735 1.00 0.00 H new ATOM 0 HE3 LYS A 11 70.364 2.910 -4.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 68.151 2.926 -5.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 68.019 2.568 -3.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 67.731 4.147 -4.378 1.00 0.00 H new ATOM 203 N ARG A 12 68.210 7.517 -0.406 1.00 0.00 N ATOM 204 CA ARG A 12 67.072 8.478 -0.317 1.00 0.00 C ATOM 205 C ARG A 12 66.965 9.286 -1.615 1.00 0.00 C ATOM 206 O ARG A 12 66.687 10.471 -1.593 1.00 0.00 O ATOM 207 CB ARG A 12 67.300 9.431 0.859 1.00 0.00 C ATOM 208 CG ARG A 12 68.680 10.084 0.730 1.00 0.00 C ATOM 209 CD ARG A 12 68.611 11.540 1.203 1.00 0.00 C ATOM 210 NE ARG A 12 69.354 12.406 0.245 1.00 0.00 N ATOM 211 CZ ARG A 12 68.700 13.171 -0.587 1.00 0.00 C ATOM 212 NH1 ARG A 12 68.113 14.253 -0.154 1.00 0.00 N ATOM 213 NH2 ARG A 12 68.632 12.855 -1.851 1.00 0.00 N ATOM 0 H ARG A 12 68.909 7.736 -1.116 1.00 0.00 H new ATOM 0 HA ARG A 12 66.147 7.922 -0.165 1.00 0.00 H new ATOM 0 HB2 ARG A 12 66.524 10.197 0.876 1.00 0.00 H new ATOM 0 HB3 ARG A 12 67.231 8.886 1.801 1.00 0.00 H new ATOM 0 HG2 ARG A 12 69.410 9.533 1.323 1.00 0.00 H new ATOM 0 HG3 ARG A 12 69.016 10.044 -0.306 1.00 0.00 H new ATOM 0 HD2 ARG A 12 67.572 11.863 1.272 1.00 0.00 H new ATOM 0 HD3 ARG A 12 69.040 11.631 2.201 1.00 0.00 H new ATOM 0 HE ARG A 12 70.374 12.401 0.239 1.00 0.00 H new ATOM 0 HH11 ARG A 12 68.165 14.501 0.834 1.00 0.00 H new ATOM 0 HH12 ARG A 12 67.602 14.851 -0.804 1.00 0.00 H new ATOM 0 HH21 ARG A 12 69.090 12.009 -2.191 1.00 0.00 H new ATOM 0 HH22 ARG A 12 68.121 13.454 -2.500 1.00 0.00 H new ATOM 227 N THR A 13 67.171 8.653 -2.743 1.00 0.00 N ATOM 228 CA THR A 13 67.071 9.384 -4.040 1.00 0.00 C ATOM 229 C THR A 13 65.594 9.561 -4.383 1.00 0.00 C ATOM 230 O THR A 13 65.187 10.571 -4.926 1.00 0.00 O ATOM 231 CB THR A 13 67.762 8.577 -5.143 1.00 0.00 C ATOM 232 OG1 THR A 13 68.957 8.003 -4.631 1.00 0.00 O ATOM 233 CG2 THR A 13 68.096 9.497 -6.320 1.00 0.00 C ATOM 0 H THR A 13 67.404 7.663 -2.820 1.00 0.00 H new ATOM 0 HA THR A 13 67.556 10.357 -3.958 1.00 0.00 H new ATOM 0 HB THR A 13 67.096 7.784 -5.484 1.00 0.00 H new ATOM 0 HG1 THR A 13 69.399 7.485 -5.336 1.00 0.00 H new ATOM 0 HG21 THR A 13 68.588 8.921 -7.104 1.00 0.00 H new ATOM 0 HG22 THR A 13 67.178 9.934 -6.712 1.00 0.00 H new ATOM 0 HG23 THR A 13 68.761 10.292 -5.983 1.00 0.00 H new ATOM 241 N SER A 14 64.789 8.589 -4.044 1.00 0.00 N ATOM 242 CA SER A 14 63.325 8.690 -4.316 1.00 0.00 C ATOM 243 C SER A 14 62.565 7.735 -3.394 1.00 0.00 C ATOM 244 O SER A 14 61.495 7.258 -3.720 1.00 0.00 O ATOM 245 CB SER A 14 63.042 8.335 -5.776 1.00 0.00 C ATOM 246 OG SER A 14 61.662 8.539 -6.047 1.00 0.00 O ATOM 0 H SER A 14 65.084 7.725 -3.588 1.00 0.00 H new ATOM 0 HA SER A 14 62.995 9.712 -4.128 1.00 0.00 H new ATOM 0 HB2 SER A 14 63.650 8.952 -6.437 1.00 0.00 H new ATOM 0 HB3 SER A 14 63.313 7.297 -5.970 1.00 0.00 H new ATOM 0 HG SER A 14 61.124 8.075 -5.372 1.00 0.00 H new ATOM 252 N ILE A 15 63.113 7.473 -2.240 1.00 0.00 N ATOM 253 CA ILE A 15 62.453 6.562 -1.259 1.00 0.00 C ATOM 254 C ILE A 15 62.940 6.933 0.143 1.00 0.00 C ATOM 255 O ILE A 15 63.791 6.268 0.707 1.00 0.00 O ATOM 256 CB ILE A 15 62.814 5.092 -1.568 1.00 0.00 C ATOM 257 CG1 ILE A 15 62.143 4.646 -2.879 1.00 0.00 C ATOM 258 CG2 ILE A 15 62.342 4.171 -0.428 1.00 0.00 C ATOM 259 CD1 ILE A 15 60.612 4.735 -2.756 1.00 0.00 C ATOM 0 H ILE A 15 64.005 7.858 -1.929 1.00 0.00 H new ATOM 0 HA ILE A 15 61.370 6.669 -1.323 1.00 0.00 H new ATOM 0 HB ILE A 15 63.897 5.022 -1.666 1.00 0.00 H new ATOM 0 HG12 ILE A 15 62.485 5.274 -3.702 1.00 0.00 H new ATOM 0 HG13 ILE A 15 62.436 3.623 -3.115 1.00 0.00 H new ATOM 0 HG21 ILE A 15 62.604 3.139 -0.662 1.00 0.00 H new ATOM 0 HG22 ILE A 15 62.826 4.467 0.503 1.00 0.00 H new ATOM 0 HG23 ILE A 15 61.261 4.254 -0.317 1.00 0.00 H new ATOM 0 HD11 ILE A 15 60.153 4.416 -3.692 1.00 0.00 H new ATOM 0 HD12 ILE A 15 60.274 4.088 -1.947 1.00 0.00 H new ATOM 0 HD13 ILE A 15 60.323 5.764 -2.542 1.00 0.00 H new ATOM 271 N GLU A 16 62.393 7.974 0.717 1.00 0.00 N ATOM 272 CA GLU A 16 62.803 8.374 2.087 1.00 0.00 C ATOM 273 C GLU A 16 62.460 7.234 3.038 1.00 0.00 C ATOM 274 O GLU A 16 61.530 6.490 2.807 1.00 0.00 O ATOM 275 CB GLU A 16 62.049 9.639 2.504 1.00 0.00 C ATOM 276 CG GLU A 16 62.828 10.870 2.039 1.00 0.00 C ATOM 277 CD GLU A 16 62.536 12.045 2.974 1.00 0.00 C ATOM 278 OE1 GLU A 16 62.399 11.810 4.164 1.00 0.00 O ATOM 279 OE2 GLU A 16 62.455 13.160 2.485 1.00 0.00 O ATOM 0 H GLU A 16 61.678 8.563 0.290 1.00 0.00 H new ATOM 0 HA GLU A 16 63.873 8.580 2.115 1.00 0.00 H new ATOM 0 HB2 GLU A 16 61.050 9.641 2.068 1.00 0.00 H new ATOM 0 HB3 GLU A 16 61.924 9.661 3.587 1.00 0.00 H new ATOM 0 HG2 GLU A 16 63.897 10.655 2.031 1.00 0.00 H new ATOM 0 HG3 GLU A 16 62.547 11.126 1.018 1.00 0.00 H new ATOM 286 N ASN A 17 63.205 7.081 4.091 1.00 0.00 N ATOM 287 CA ASN A 17 62.921 5.974 5.052 1.00 0.00 C ATOM 288 C ASN A 17 61.510 6.135 5.621 1.00 0.00 C ATOM 289 O ASN A 17 60.897 5.176 6.054 1.00 0.00 O ATOM 290 CB ASN A 17 63.947 5.998 6.187 1.00 0.00 C ATOM 291 CG ASN A 17 65.228 5.293 5.738 1.00 0.00 C ATOM 292 OD1 ASN A 17 65.228 4.102 5.498 1.00 0.00 O ATOM 293 ND2 ASN A 17 66.328 5.984 5.613 1.00 0.00 N ATOM 0 H ASN A 17 64.000 7.672 4.333 1.00 0.00 H new ATOM 0 HA ASN A 17 62.989 5.019 4.531 1.00 0.00 H new ATOM 0 HB2 ASN A 17 64.167 7.027 6.470 1.00 0.00 H new ATOM 0 HB3 ASN A 17 63.539 5.505 7.070 1.00 0.00 H new ATOM 0 HD21 ASN A 17 67.188 5.524 5.314 1.00 0.00 H new ATOM 0 HD22 ASN A 17 66.328 6.984 5.815 1.00 0.00 H new ATOM 300 N ARG A 18 60.984 7.334 5.605 1.00 0.00 N ATOM 301 CA ARG A 18 59.609 7.551 6.123 1.00 0.00 C ATOM 302 C ARG A 18 58.609 7.240 5.010 1.00 0.00 C ATOM 303 O ARG A 18 57.496 6.828 5.271 1.00 0.00 O ATOM 304 CB ARG A 18 59.449 9.005 6.576 1.00 0.00 C ATOM 305 CG ARG A 18 59.603 9.090 8.099 1.00 0.00 C ATOM 306 CD ARG A 18 61.089 9.129 8.476 1.00 0.00 C ATOM 307 NE ARG A 18 61.345 10.303 9.358 1.00 0.00 N ATOM 308 CZ ARG A 18 61.895 10.132 10.530 1.00 0.00 C ATOM 309 NH1 ARG A 18 61.210 9.590 11.500 1.00 0.00 N ATOM 310 NH2 ARG A 18 63.129 10.506 10.732 1.00 0.00 N ATOM 0 H ARG A 18 61.452 8.170 5.254 1.00 0.00 H new ATOM 0 HA ARG A 18 59.427 6.896 6.975 1.00 0.00 H new ATOM 0 HB2 ARG A 18 60.196 9.632 6.089 1.00 0.00 H new ATOM 0 HB3 ARG A 18 58.471 9.384 6.278 1.00 0.00 H new ATOM 0 HG2 ARG A 18 59.101 9.982 8.474 1.00 0.00 H new ATOM 0 HG3 ARG A 18 59.123 8.232 8.570 1.00 0.00 H new ATOM 0 HD2 ARG A 18 61.370 8.208 8.987 1.00 0.00 H new ATOM 0 HD3 ARG A 18 61.702 9.195 7.577 1.00 0.00 H new ATOM 0 HE ARG A 18 61.091 11.240 9.046 1.00 0.00 H new ATOM 0 HH11 ARG A 18 60.245 9.300 11.343 1.00 0.00 H new ATOM 0 HH12 ARG A 18 61.640 9.457 12.415 1.00 0.00 H new ATOM 0 HH21 ARG A 18 63.663 10.932 9.975 1.00 0.00 H new ATOM 0 HH22 ARG A 18 63.559 10.373 11.647 1.00 0.00 H new ATOM 324 N VAL A 19 58.999 7.431 3.768 1.00 0.00 N ATOM 325 CA VAL A 19 58.062 7.136 2.647 1.00 0.00 C ATOM 326 C VAL A 19 57.786 5.636 2.607 1.00 0.00 C ATOM 327 O VAL A 19 56.659 5.217 2.478 1.00 0.00 O ATOM 328 CB VAL A 19 58.635 7.648 1.295 1.00 0.00 C ATOM 329 CG1 VAL A 19 59.358 6.549 0.491 1.00 0.00 C ATOM 330 CG2 VAL A 19 57.470 8.172 0.456 1.00 0.00 C ATOM 0 H VAL A 19 59.918 7.775 3.490 1.00 0.00 H new ATOM 0 HA VAL A 19 57.121 7.661 2.812 1.00 0.00 H new ATOM 0 HB VAL A 19 59.368 8.423 1.518 1.00 0.00 H new ATOM 0 HG11 VAL A 19 59.735 6.969 -0.442 1.00 0.00 H new ATOM 0 HG12 VAL A 19 60.191 6.158 1.076 1.00 0.00 H new ATOM 0 HG13 VAL A 19 58.660 5.742 0.269 1.00 0.00 H new ATOM 0 HG21 VAL A 19 57.845 8.538 -0.500 1.00 0.00 H new ATOM 0 HG22 VAL A 19 56.756 7.367 0.281 1.00 0.00 H new ATOM 0 HG23 VAL A 19 56.976 8.986 0.987 1.00 0.00 H new ATOM 340 N ARG A 20 58.817 4.833 2.693 1.00 0.00 N ATOM 341 CA ARG A 20 58.619 3.355 2.646 1.00 0.00 C ATOM 342 C ARG A 20 57.742 2.914 3.806 1.00 0.00 C ATOM 343 O ARG A 20 56.754 2.223 3.608 1.00 0.00 O ATOM 344 CB ARG A 20 59.981 2.649 2.710 1.00 0.00 C ATOM 345 CG ARG A 20 60.239 1.895 1.403 1.00 0.00 C ATOM 346 CD ARG A 20 61.569 1.147 1.502 1.00 0.00 C ATOM 347 NE ARG A 20 62.680 2.127 1.655 1.00 0.00 N ATOM 348 CZ ARG A 20 63.912 1.757 1.436 1.00 0.00 C ATOM 349 NH1 ARG A 20 64.323 1.552 0.215 1.00 0.00 N ATOM 350 NH2 ARG A 20 64.732 1.592 2.437 1.00 0.00 N ATOM 0 H ARG A 20 59.785 5.138 2.794 1.00 0.00 H new ATOM 0 HA ARG A 20 58.125 3.086 1.712 1.00 0.00 H new ATOM 0 HB2 ARG A 20 60.772 3.380 2.881 1.00 0.00 H new ATOM 0 HB3 ARG A 20 60.002 1.955 3.550 1.00 0.00 H new ATOM 0 HG2 ARG A 20 59.428 1.193 1.209 1.00 0.00 H new ATOM 0 HG3 ARG A 20 60.263 2.593 0.566 1.00 0.00 H new ATOM 0 HD2 ARG A 20 61.552 0.465 2.352 1.00 0.00 H new ATOM 0 HD3 ARG A 20 61.725 0.541 0.610 1.00 0.00 H new ATOM 0 HE ARG A 20 62.478 3.088 1.931 1.00 0.00 H new ATOM 0 HH11 ARG A 20 63.682 1.681 -0.567 1.00 0.00 H new ATOM 0 HH12 ARG A 20 65.286 1.263 0.043 1.00 0.00 H new ATOM 0 HH21 ARG A 20 64.410 1.752 3.392 1.00 0.00 H new ATOM 0 HH22 ARG A 20 65.695 1.303 2.265 1.00 0.00 H new ATOM 364 N TRP A 21 58.072 3.300 5.010 1.00 0.00 N ATOM 365 CA TRP A 21 57.211 2.872 6.138 1.00 0.00 C ATOM 366 C TRP A 21 55.875 3.621 6.055 1.00 0.00 C ATOM 367 O TRP A 21 54.907 3.228 6.674 1.00 0.00 O ATOM 368 CB TRP A 21 57.932 3.039 7.489 1.00 0.00 C ATOM 369 CG TRP A 21 58.330 1.660 7.947 1.00 0.00 C ATOM 370 CD1 TRP A 21 58.234 1.178 9.208 1.00 0.00 C ATOM 371 CD2 TRP A 21 58.837 0.563 7.127 1.00 0.00 C ATOM 372 NE1 TRP A 21 58.646 -0.149 9.209 1.00 0.00 N ATOM 373 CE2 TRP A 21 59.025 -0.571 7.945 1.00 0.00 C ATOM 374 CE3 TRP A 21 59.147 0.450 5.760 1.00 0.00 C ATOM 375 CZ2 TRP A 21 59.496 -1.779 7.414 1.00 0.00 C ATOM 376 CZ3 TRP A 21 59.617 -0.751 5.227 1.00 0.00 C ATOM 377 CH2 TRP A 21 59.788 -1.868 6.052 1.00 0.00 C ATOM 0 H TRP A 21 58.878 3.877 5.253 1.00 0.00 H new ATOM 0 HA TRP A 21 56.997 1.806 6.063 1.00 0.00 H new ATOM 0 HB2 TRP A 21 58.808 3.678 7.382 1.00 0.00 H new ATOM 0 HB3 TRP A 21 57.278 3.515 8.220 1.00 0.00 H new ATOM 0 HD1 TRP A 21 57.894 1.733 10.070 1.00 0.00 H new ATOM 0 HE1 TRP A 21 58.667 -0.741 10.040 1.00 0.00 H new ATOM 0 HE3 TRP A 21 59.019 1.305 5.113 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 59.632 -2.637 8.055 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 59.849 -0.818 4.174 1.00 0.00 H new ATOM 0 HH2 TRP A 21 60.146 -2.798 5.635 1.00 0.00 H new ATOM 388 N SER A 22 55.787 4.636 5.213 1.00 0.00 N ATOM 389 CA SER A 22 54.491 5.323 5.004 1.00 0.00 C ATOM 390 C SER A 22 53.637 4.341 4.200 1.00 0.00 C ATOM 391 O SER A 22 52.462 4.157 4.459 1.00 0.00 O ATOM 392 CB SER A 22 54.703 6.620 4.217 1.00 0.00 C ATOM 393 OG SER A 22 54.396 7.731 5.050 1.00 0.00 O ATOM 0 H SER A 22 56.566 5.007 4.668 1.00 0.00 H new ATOM 0 HA SER A 22 54.014 5.594 5.946 1.00 0.00 H new ATOM 0 HB2 SER A 22 55.735 6.684 3.871 1.00 0.00 H new ATOM 0 HB3 SER A 22 54.068 6.629 3.331 1.00 0.00 H new ATOM 0 HG SER A 22 54.532 8.563 4.550 1.00 0.00 H new ATOM 399 N LEU A 23 54.257 3.647 3.254 1.00 0.00 N ATOM 400 CA LEU A 23 53.527 2.605 2.463 1.00 0.00 C ATOM 401 C LEU A 23 52.908 1.642 3.465 1.00 0.00 C ATOM 402 O LEU A 23 51.775 1.237 3.351 1.00 0.00 O ATOM 403 CB LEU A 23 54.508 1.784 1.606 1.00 0.00 C ATOM 404 CG LEU A 23 55.229 2.637 0.565 1.00 0.00 C ATOM 405 CD1 LEU A 23 56.573 1.971 0.245 1.00 0.00 C ATOM 406 CD2 LEU A 23 54.392 2.702 -0.718 1.00 0.00 C ATOM 0 H LEU A 23 55.239 3.765 3.003 1.00 0.00 H new ATOM 0 HA LEU A 23 52.792 3.087 1.818 1.00 0.00 H new ATOM 0 HB2 LEU A 23 55.244 1.310 2.255 1.00 0.00 H new ATOM 0 HB3 LEU A 23 53.965 0.984 1.103 1.00 0.00 H new ATOM 0 HG LEU A 23 55.379 3.645 0.951 1.00 0.00 H new ATOM 0 HD11 LEU A 23 57.106 2.565 -0.498 1.00 0.00 H new ATOM 0 HD12 LEU A 23 57.172 1.905 1.153 1.00 0.00 H new ATOM 0 HD13 LEU A 23 56.398 0.970 -0.148 1.00 0.00 H new ATOM 0 HD21 LEU A 23 54.909 3.311 -1.459 1.00 0.00 H new ATOM 0 HD22 LEU A 23 54.250 1.695 -1.111 1.00 0.00 H new ATOM 0 HD23 LEU A 23 53.421 3.146 -0.497 1.00 0.00 H new ATOM 418 N GLU A 24 53.684 1.289 4.457 1.00 0.00 N ATOM 419 CA GLU A 24 53.202 0.352 5.516 1.00 0.00 C ATOM 420 C GLU A 24 51.924 0.888 6.166 1.00 0.00 C ATOM 421 O GLU A 24 50.927 0.202 6.250 1.00 0.00 O ATOM 422 CB GLU A 24 54.280 0.218 6.595 1.00 0.00 C ATOM 423 CG GLU A 24 54.069 -1.084 7.371 1.00 0.00 C ATOM 424 CD GLU A 24 54.809 -1.006 8.707 1.00 0.00 C ATOM 425 OE1 GLU A 24 54.320 -0.326 9.594 1.00 0.00 O ATOM 426 OE2 GLU A 24 55.853 -1.627 8.821 1.00 0.00 O ATOM 0 H GLU A 24 54.643 1.614 4.580 1.00 0.00 H new ATOM 0 HA GLU A 24 52.993 -0.615 5.059 1.00 0.00 H new ATOM 0 HB2 GLU A 24 55.269 0.225 6.138 1.00 0.00 H new ATOM 0 HB3 GLU A 24 54.237 1.069 7.274 1.00 0.00 H new ATOM 0 HG2 GLU A 24 53.005 -1.250 7.541 1.00 0.00 H new ATOM 0 HG3 GLU A 24 54.435 -1.930 6.789 1.00 0.00 H new ATOM 433 N THR A 25 51.960 2.105 6.639 1.00 0.00 N ATOM 434 CA THR A 25 50.765 2.704 7.308 1.00 0.00 C ATOM 435 C THR A 25 49.540 2.640 6.391 1.00 0.00 C ATOM 436 O THR A 25 48.415 2.614 6.856 1.00 0.00 O ATOM 437 CB THR A 25 51.066 4.165 7.649 1.00 0.00 C ATOM 438 OG1 THR A 25 52.313 4.243 8.326 1.00 0.00 O ATOM 439 CG2 THR A 25 49.960 4.725 8.545 1.00 0.00 C ATOM 0 H THR A 25 52.774 2.717 6.591 1.00 0.00 H new ATOM 0 HA THR A 25 50.549 2.140 8.215 1.00 0.00 H new ATOM 0 HB THR A 25 51.112 4.749 6.730 1.00 0.00 H new ATOM 0 HG1 THR A 25 52.509 5.178 8.544 1.00 0.00 H new ATOM 0 HG21 THR A 25 50.178 5.765 8.785 1.00 0.00 H new ATOM 0 HG22 THR A 25 49.005 4.666 8.024 1.00 0.00 H new ATOM 0 HG23 THR A 25 49.908 4.143 9.465 1.00 0.00 H new ATOM 447 N MET A 26 49.744 2.634 5.097 1.00 0.00 N ATOM 448 CA MET A 26 48.577 2.596 4.160 1.00 0.00 C ATOM 449 C MET A 26 48.155 1.150 3.850 1.00 0.00 C ATOM 450 O MET A 26 47.016 0.901 3.502 1.00 0.00 O ATOM 451 CB MET A 26 48.959 3.295 2.854 1.00 0.00 C ATOM 452 CG MET A 26 48.889 4.811 3.045 1.00 0.00 C ATOM 453 SD MET A 26 49.978 5.616 1.844 1.00 0.00 S ATOM 454 CE MET A 26 49.765 7.310 2.442 1.00 0.00 C ATOM 0 H MET A 26 50.661 2.654 4.651 1.00 0.00 H new ATOM 0 HA MET A 26 47.739 3.104 4.637 1.00 0.00 H new ATOM 0 HB2 MET A 26 49.965 3.002 2.554 1.00 0.00 H new ATOM 0 HB3 MET A 26 48.285 2.987 2.054 1.00 0.00 H new ATOM 0 HG2 MET A 26 47.864 5.159 2.914 1.00 0.00 H new ATOM 0 HG3 MET A 26 49.188 5.076 4.059 1.00 0.00 H new ATOM 0 HE1 MET A 26 50.361 7.989 1.832 1.00 0.00 H new ATOM 0 HE2 MET A 26 48.714 7.590 2.375 1.00 0.00 H new ATOM 0 HE3 MET A 26 50.092 7.373 3.480 1.00 0.00 H new ATOM 464 N PHE A 27 49.056 0.203 3.947 1.00 0.00 N ATOM 465 CA PHE A 27 48.694 -1.215 3.627 1.00 0.00 C ATOM 466 C PHE A 27 48.227 -1.977 4.873 1.00 0.00 C ATOM 467 O PHE A 27 47.698 -3.069 4.766 1.00 0.00 O ATOM 468 CB PHE A 27 49.899 -1.935 3.017 1.00 0.00 C ATOM 469 CG PHE A 27 50.024 -1.538 1.565 1.00 0.00 C ATOM 470 CD1 PHE A 27 49.065 -1.969 0.640 1.00 0.00 C ATOM 471 CD2 PHE A 27 51.090 -0.736 1.143 1.00 0.00 C ATOM 472 CE1 PHE A 27 49.175 -1.599 -0.704 1.00 0.00 C ATOM 473 CE2 PHE A 27 51.200 -0.367 -0.201 1.00 0.00 C ATOM 474 CZ PHE A 27 50.243 -0.798 -1.124 1.00 0.00 C ATOM 0 H PHE A 27 50.024 0.349 4.233 1.00 0.00 H new ATOM 0 HA PHE A 27 47.870 -1.191 2.913 1.00 0.00 H new ATOM 0 HB2 PHE A 27 50.808 -1.673 3.559 1.00 0.00 H new ATOM 0 HB3 PHE A 27 49.776 -3.015 3.103 1.00 0.00 H new ATOM 0 HD1 PHE A 27 48.241 -2.587 0.965 1.00 0.00 H new ATOM 0 HD2 PHE A 27 51.829 -0.402 1.856 1.00 0.00 H new ATOM 0 HE1 PHE A 27 48.436 -1.931 -1.418 1.00 0.00 H new ATOM 0 HE2 PHE A 27 52.024 0.251 -0.526 1.00 0.00 H new ATOM 0 HZ PHE A 27 50.328 -0.513 -2.162 1.00 0.00 H new ATOM 484 N LEU A 28 48.418 -1.429 6.045 1.00 0.00 N ATOM 485 CA LEU A 28 47.984 -2.143 7.281 1.00 0.00 C ATOM 486 C LEU A 28 46.466 -2.014 7.455 1.00 0.00 C ATOM 487 O LEU A 28 45.844 -2.818 8.123 1.00 0.00 O ATOM 488 CB LEU A 28 48.719 -1.556 8.482 1.00 0.00 C ATOM 489 CG LEU A 28 50.210 -1.878 8.340 1.00 0.00 C ATOM 490 CD1 LEU A 28 51.027 -0.984 9.272 1.00 0.00 C ATOM 491 CD2 LEU A 28 50.452 -3.349 8.692 1.00 0.00 C ATOM 0 H LEU A 28 48.855 -0.520 6.199 1.00 0.00 H new ATOM 0 HA LEU A 28 48.227 -3.202 7.200 1.00 0.00 H new ATOM 0 HB2 LEU A 28 48.567 -0.478 8.530 1.00 0.00 H new ATOM 0 HB3 LEU A 28 48.327 -1.975 9.409 1.00 0.00 H new ATOM 0 HG LEU A 28 50.520 -1.696 7.311 1.00 0.00 H new ATOM 0 HD11 LEU A 28 52.086 -1.219 9.165 1.00 0.00 H new ATOM 0 HD12 LEU A 28 50.859 0.061 9.013 1.00 0.00 H new ATOM 0 HD13 LEU A 28 50.719 -1.156 10.303 1.00 0.00 H new ATOM 0 HD21 LEU A 28 51.513 -3.578 8.591 1.00 0.00 H new ATOM 0 HD22 LEU A 28 50.137 -3.534 9.719 1.00 0.00 H new ATOM 0 HD23 LEU A 28 49.878 -3.984 8.017 1.00 0.00 H new ATOM 503 N LYS A 29 45.861 -1.027 6.837 1.00 0.00 N ATOM 504 CA LYS A 29 44.381 -0.867 6.939 1.00 0.00 C ATOM 505 C LYS A 29 43.745 -1.451 5.675 1.00 0.00 C ATOM 506 O LYS A 29 42.606 -1.880 5.692 1.00 0.00 O ATOM 507 CB LYS A 29 44.025 0.635 7.063 1.00 0.00 C ATOM 508 CG LYS A 29 42.584 0.908 6.572 1.00 0.00 C ATOM 509 CD LYS A 29 42.072 2.223 7.162 1.00 0.00 C ATOM 510 CE LYS A 29 40.541 2.186 7.246 1.00 0.00 C ATOM 511 NZ LYS A 29 39.973 3.519 6.877 1.00 0.00 N ATOM 0 H LYS A 29 46.332 -0.326 6.266 1.00 0.00 H new ATOM 0 HA LYS A 29 44.006 -1.388 7.820 1.00 0.00 H new ATOM 0 HB2 LYS A 29 44.125 0.951 8.101 1.00 0.00 H new ATOM 0 HB3 LYS A 29 44.730 1.228 6.480 1.00 0.00 H new ATOM 0 HG2 LYS A 29 42.565 0.956 5.483 1.00 0.00 H new ATOM 0 HG3 LYS A 29 41.929 0.088 6.866 1.00 0.00 H new ATOM 0 HD2 LYS A 29 42.497 2.379 8.153 1.00 0.00 H new ATOM 0 HD3 LYS A 29 42.392 3.061 6.543 1.00 0.00 H new ATOM 0 HE2 LYS A 29 40.151 1.418 6.578 1.00 0.00 H new ATOM 0 HE3 LYS A 29 40.231 1.917 8.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 38.935 3.483 6.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 40.333 4.243 7.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 40.255 3.760 5.905 1.00 0.00 H new ATOM 525 N CYS A 30 44.453 -1.423 4.577 1.00 0.00 N ATOM 526 CA CYS A 30 43.870 -1.931 3.313 1.00 0.00 C ATOM 527 C CYS A 30 44.589 -3.205 2.846 1.00 0.00 C ATOM 528 O CYS A 30 45.495 -3.128 2.039 1.00 0.00 O ATOM 529 CB CYS A 30 43.993 -0.851 2.234 1.00 0.00 C ATOM 530 SG CYS A 30 42.641 0.339 2.416 1.00 0.00 S ATOM 0 H CYS A 30 45.407 -1.070 4.506 1.00 0.00 H new ATOM 0 HA CYS A 30 42.822 -2.174 3.486 1.00 0.00 H new ATOM 0 HB2 CYS A 30 44.953 -0.343 2.321 1.00 0.00 H new ATOM 0 HB3 CYS A 30 43.961 -1.306 1.244 1.00 0.00 H new ATOM 0 HG CYS A 30 42.746 1.258 1.502 1.00 0.00 H new ATOM 536 N PRO A 31 44.130 -4.358 3.310 1.00 0.00 N ATOM 537 CA PRO A 31 44.687 -5.645 2.872 1.00 0.00 C ATOM 538 C PRO A 31 44.007 -6.035 1.546 1.00 0.00 C ATOM 539 O PRO A 31 44.255 -7.090 0.996 1.00 0.00 O ATOM 540 CB PRO A 31 44.270 -6.621 3.970 1.00 0.00 C ATOM 541 CG PRO A 31 43.026 -6.000 4.644 1.00 0.00 C ATOM 542 CD PRO A 31 43.035 -4.500 4.298 1.00 0.00 C ATOM 0 HA PRO A 31 45.766 -5.629 2.718 1.00 0.00 H new ATOM 0 HB2 PRO A 31 44.039 -7.601 3.553 1.00 0.00 H new ATOM 0 HB3 PRO A 31 45.074 -6.763 4.692 1.00 0.00 H new ATOM 0 HG2 PRO A 31 42.113 -6.474 4.283 1.00 0.00 H new ATOM 0 HG3 PRO A 31 43.057 -6.148 5.723 1.00 0.00 H new ATOM 0 HD2 PRO A 31 42.079 -4.182 3.881 1.00 0.00 H new ATOM 0 HD3 PRO A 31 43.216 -3.889 5.182 1.00 0.00 H new ATOM 550 N LYS A 32 43.130 -5.182 1.042 1.00 0.00 N ATOM 551 CA LYS A 32 42.411 -5.474 -0.215 1.00 0.00 C ATOM 552 C LYS A 32 42.707 -4.388 -1.286 1.00 0.00 C ATOM 553 O LYS A 32 41.783 -3.883 -1.896 1.00 0.00 O ATOM 554 CB LYS A 32 40.900 -5.488 0.091 1.00 0.00 C ATOM 555 CG LYS A 32 40.513 -4.252 0.935 1.00 0.00 C ATOM 556 CD LYS A 32 39.018 -3.967 0.770 1.00 0.00 C ATOM 557 CE LYS A 32 38.556 -3.017 1.877 1.00 0.00 C ATOM 558 NZ LYS A 32 37.230 -2.439 1.515 1.00 0.00 N ATOM 0 H LYS A 32 42.891 -4.287 1.469 1.00 0.00 H new ATOM 0 HA LYS A 32 42.740 -6.437 -0.606 1.00 0.00 H new ATOM 0 HB2 LYS A 32 40.333 -5.493 -0.840 1.00 0.00 H new ATOM 0 HB3 LYS A 32 40.639 -6.400 0.628 1.00 0.00 H new ATOM 0 HG2 LYS A 32 40.746 -4.428 1.985 1.00 0.00 H new ATOM 0 HG3 LYS A 32 41.096 -3.386 0.620 1.00 0.00 H new ATOM 0 HD2 LYS A 32 38.827 -3.524 -0.207 1.00 0.00 H new ATOM 0 HD3 LYS A 32 38.452 -4.898 0.815 1.00 0.00 H new ATOM 0 HE2 LYS A 32 38.485 -3.552 2.824 1.00 0.00 H new ATOM 0 HE3 LYS A 32 39.287 -2.220 2.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 36.916 -1.793 2.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 37.312 -1.915 0.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 36.536 -3.205 1.404 1.00 0.00 H new ATOM 572 N PRO A 33 43.971 -4.043 -1.512 1.00 0.00 N ATOM 573 CA PRO A 33 44.317 -3.021 -2.519 1.00 0.00 C ATOM 574 C PRO A 33 44.191 -3.594 -3.929 1.00 0.00 C ATOM 575 O PRO A 33 44.405 -4.771 -4.154 1.00 0.00 O ATOM 576 CB PRO A 33 45.778 -2.682 -2.220 1.00 0.00 C ATOM 577 CG PRO A 33 46.355 -3.900 -1.470 1.00 0.00 C ATOM 578 CD PRO A 33 45.156 -4.610 -0.819 1.00 0.00 C ATOM 0 HA PRO A 33 43.661 -2.152 -2.472 1.00 0.00 H new ATOM 0 HB2 PRO A 33 46.331 -2.494 -3.140 1.00 0.00 H new ATOM 0 HB3 PRO A 33 45.852 -1.780 -1.613 1.00 0.00 H new ATOM 0 HG2 PRO A 33 46.878 -4.567 -2.155 1.00 0.00 H new ATOM 0 HG3 PRO A 33 47.078 -3.587 -0.717 1.00 0.00 H new ATOM 0 HD2 PRO A 33 45.214 -5.690 -0.951 1.00 0.00 H new ATOM 0 HD3 PRO A 33 45.117 -4.421 0.254 1.00 0.00 H new ATOM 586 N SER A 34 43.864 -2.762 -4.879 1.00 0.00 N ATOM 587 CA SER A 34 43.741 -3.228 -6.283 1.00 0.00 C ATOM 588 C SER A 34 45.084 -3.062 -6.968 1.00 0.00 C ATOM 589 O SER A 34 45.869 -2.222 -6.587 1.00 0.00 O ATOM 590 CB SER A 34 42.685 -2.393 -7.009 1.00 0.00 C ATOM 591 OG SER A 34 41.985 -3.221 -7.929 1.00 0.00 O ATOM 0 H SER A 34 43.675 -1.770 -4.738 1.00 0.00 H new ATOM 0 HA SER A 34 43.441 -4.276 -6.304 1.00 0.00 H new ATOM 0 HB2 SER A 34 41.990 -1.959 -6.290 1.00 0.00 H new ATOM 0 HB3 SER A 34 43.158 -1.564 -7.535 1.00 0.00 H new ATOM 0 HG SER A 34 42.032 -2.827 -8.825 1.00 0.00 H new ATOM 597 N LEU A 35 45.347 -3.827 -7.999 1.00 0.00 N ATOM 598 CA LEU A 35 46.637 -3.659 -8.735 1.00 0.00 C ATOM 599 C LEU A 35 46.693 -2.231 -9.282 1.00 0.00 C ATOM 600 O LEU A 35 47.753 -1.684 -9.529 1.00 0.00 O ATOM 601 CB LEU A 35 46.708 -4.664 -9.884 1.00 0.00 C ATOM 602 CG LEU A 35 47.170 -6.008 -9.327 1.00 0.00 C ATOM 603 CD1 LEU A 35 46.419 -7.144 -10.023 1.00 0.00 C ATOM 604 CD2 LEU A 35 48.675 -6.172 -9.558 1.00 0.00 C ATOM 0 H LEU A 35 44.730 -4.554 -8.360 1.00 0.00 H new ATOM 0 HA LEU A 35 47.481 -3.835 -8.068 1.00 0.00 H new ATOM 0 HB2 LEU A 35 45.732 -4.766 -10.358 1.00 0.00 H new ATOM 0 HB3 LEU A 35 47.400 -4.314 -10.651 1.00 0.00 H new ATOM 0 HG LEU A 35 46.962 -6.042 -8.258 1.00 0.00 H new ATOM 0 HD11 LEU A 35 46.753 -8.101 -9.621 1.00 0.00 H new ATOM 0 HD12 LEU A 35 45.349 -7.032 -9.851 1.00 0.00 H new ATOM 0 HD13 LEU A 35 46.619 -7.110 -11.094 1.00 0.00 H new ATOM 0 HD21 LEU A 35 49.002 -7.132 -9.159 1.00 0.00 H new ATOM 0 HD22 LEU A 35 48.886 -6.132 -10.627 1.00 0.00 H new ATOM 0 HD23 LEU A 35 49.210 -5.368 -9.053 1.00 0.00 H new ATOM 616 N GLN A 36 45.544 -1.614 -9.430 1.00 0.00 N ATOM 617 CA GLN A 36 45.504 -0.208 -9.913 1.00 0.00 C ATOM 618 C GLN A 36 45.997 0.682 -8.777 1.00 0.00 C ATOM 619 O GLN A 36 46.750 1.614 -8.982 1.00 0.00 O ATOM 620 CB GLN A 36 44.069 0.173 -10.285 1.00 0.00 C ATOM 621 CG GLN A 36 43.521 -0.821 -11.317 1.00 0.00 C ATOM 622 CD GLN A 36 42.064 -1.154 -10.986 1.00 0.00 C ATOM 623 OE1 GLN A 36 41.740 -1.460 -9.857 1.00 0.00 O ATOM 624 NE2 GLN A 36 41.165 -1.106 -11.932 1.00 0.00 N ATOM 0 H GLN A 36 44.633 -2.030 -9.235 1.00 0.00 H new ATOM 0 HA GLN A 36 46.131 -0.087 -10.796 1.00 0.00 H new ATOM 0 HB2 GLN A 36 43.440 0.172 -9.395 1.00 0.00 H new ATOM 0 HB3 GLN A 36 44.045 1.184 -10.691 1.00 0.00 H new ATOM 0 HG2 GLN A 36 43.589 -0.396 -12.318 1.00 0.00 H new ATOM 0 HG3 GLN A 36 44.122 -1.730 -11.316 1.00 0.00 H new ATOM 0 HE21 GLN A 36 41.437 -0.849 -12.881 1.00 0.00 H new ATOM 0 HE22 GLN A 36 40.191 -1.326 -11.722 1.00 0.00 H new ATOM 633 N GLN A 37 45.586 0.378 -7.570 1.00 0.00 N ATOM 634 CA GLN A 37 46.035 1.175 -6.395 1.00 0.00 C ATOM 635 C GLN A 37 47.547 1.014 -6.240 1.00 0.00 C ATOM 636 O GLN A 37 48.230 1.930 -5.830 1.00 0.00 O ATOM 637 CB GLN A 37 45.336 0.679 -5.127 1.00 0.00 C ATOM 638 CG GLN A 37 45.684 1.610 -3.963 1.00 0.00 C ATOM 639 CD GLN A 37 45.436 0.889 -2.636 1.00 0.00 C ATOM 640 OE1 GLN A 37 46.328 0.773 -1.820 1.00 0.00 O ATOM 641 NE2 GLN A 37 44.254 0.399 -2.385 1.00 0.00 N ATOM 0 H GLN A 37 44.955 -0.393 -7.351 1.00 0.00 H new ATOM 0 HA GLN A 37 45.784 2.225 -6.548 1.00 0.00 H new ATOM 0 HB2 GLN A 37 44.257 0.654 -5.278 1.00 0.00 H new ATOM 0 HB3 GLN A 37 45.649 -0.340 -4.900 1.00 0.00 H new ATOM 0 HG2 GLN A 37 46.727 1.919 -4.031 1.00 0.00 H new ATOM 0 HG3 GLN A 37 45.079 2.515 -4.015 1.00 0.00 H new ATOM 0 HE21 GLN A 37 43.505 0.497 -3.071 1.00 0.00 H new ATOM 0 HE22 GLN A 37 44.078 -0.082 -1.503 1.00 0.00 H new ATOM 650 N ILE A 38 48.078 -0.138 -6.588 1.00 0.00 N ATOM 651 CA ILE A 38 49.551 -0.341 -6.485 1.00 0.00 C ATOM 652 C ILE A 38 50.212 0.535 -7.548 1.00 0.00 C ATOM 653 O ILE A 38 51.296 1.046 -7.354 1.00 0.00 O ATOM 654 CB ILE A 38 49.905 -1.836 -6.678 1.00 0.00 C ATOM 655 CG1 ILE A 38 49.485 -2.623 -5.424 1.00 0.00 C ATOM 656 CG2 ILE A 38 51.422 -2.014 -6.888 1.00 0.00 C ATOM 657 CD1 ILE A 38 50.183 -2.053 -4.177 1.00 0.00 C ATOM 0 H ILE A 38 47.552 -0.940 -6.937 1.00 0.00 H new ATOM 0 HA ILE A 38 49.914 -0.057 -5.497 1.00 0.00 H new ATOM 0 HB ILE A 38 49.377 -2.206 -7.557 1.00 0.00 H new ATOM 0 HG12 ILE A 38 48.403 -2.571 -5.299 1.00 0.00 H new ATOM 0 HG13 ILE A 38 49.742 -3.675 -5.544 1.00 0.00 H new ATOM 0 HG21 ILE A 38 51.649 -3.072 -7.022 1.00 0.00 H new ATOM 0 HG22 ILE A 38 51.734 -1.461 -7.774 1.00 0.00 H new ATOM 0 HG23 ILE A 38 51.957 -1.635 -6.017 1.00 0.00 H new ATOM 0 HD11 ILE A 38 49.876 -2.619 -3.298 1.00 0.00 H new ATOM 0 HD12 ILE A 38 51.264 -2.128 -4.299 1.00 0.00 H new ATOM 0 HD13 ILE A 38 49.904 -1.007 -4.050 1.00 0.00 H new ATOM 669 N THR A 39 49.545 0.735 -8.656 1.00 0.00 N ATOM 670 CA THR A 39 50.107 1.614 -9.723 1.00 0.00 C ATOM 671 C THR A 39 50.183 3.035 -9.159 1.00 0.00 C ATOM 672 O THR A 39 51.125 3.767 -9.398 1.00 0.00 O ATOM 673 CB THR A 39 49.200 1.589 -10.958 1.00 0.00 C ATOM 674 OG1 THR A 39 48.460 0.375 -10.983 1.00 0.00 O ATOM 675 CG2 THR A 39 50.057 1.688 -12.221 1.00 0.00 C ATOM 0 H THR A 39 48.634 0.327 -8.867 1.00 0.00 H new ATOM 0 HA THR A 39 51.096 1.266 -10.022 1.00 0.00 H new ATOM 0 HB THR A 39 48.511 2.432 -10.917 1.00 0.00 H new ATOM 0 HG1 THR A 39 48.003 0.288 -11.846 1.00 0.00 H new ATOM 0 HG21 THR A 39 49.413 1.670 -13.100 1.00 0.00 H new ATOM 0 HG22 THR A 39 50.623 2.619 -12.205 1.00 0.00 H new ATOM 0 HG23 THR A 39 50.747 0.845 -12.260 1.00 0.00 H new ATOM 683 N HIS A 40 49.202 3.405 -8.372 1.00 0.00 N ATOM 684 CA HIS A 40 49.206 4.755 -7.734 1.00 0.00 C ATOM 685 C HIS A 40 50.211 4.754 -6.580 1.00 0.00 C ATOM 686 O HIS A 40 50.686 5.794 -6.168 1.00 0.00 O ATOM 687 CB HIS A 40 47.807 5.082 -7.204 1.00 0.00 C ATOM 688 CG HIS A 40 47.038 5.837 -8.254 1.00 0.00 C ATOM 689 ND1 HIS A 40 46.930 5.385 -9.560 1.00 0.00 N ATOM 690 CD2 HIS A 40 46.332 7.014 -8.206 1.00 0.00 C ATOM 691 CE1 HIS A 40 46.186 6.278 -10.238 1.00 0.00 C ATOM 692 NE2 HIS A 40 45.796 7.290 -9.460 1.00 0.00 N ATOM 0 H HIS A 40 48.395 2.825 -8.144 1.00 0.00 H new ATOM 0 HA HIS A 40 49.489 5.509 -8.468 1.00 0.00 H new ATOM 0 HB2 HIS A 40 47.281 4.164 -6.943 1.00 0.00 H new ATOM 0 HB3 HIS A 40 47.881 5.677 -6.294 1.00 0.00 H new ATOM 0 HD2 HIS A 40 46.211 7.632 -7.328 1.00 0.00 H new ATOM 0 HE1 HIS A 40 45.935 6.187 -11.284 1.00 0.00 H new ATOM 0 HE2 HIS A 40 45.227 8.093 -9.727 1.00 0.00 H new ATOM 700 N ILE A 41 50.560 3.591 -6.073 1.00 0.00 N ATOM 701 CA ILE A 41 51.558 3.522 -4.977 1.00 0.00 C ATOM 702 C ILE A 41 52.911 3.921 -5.586 1.00 0.00 C ATOM 703 O ILE A 41 53.652 4.677 -5.010 1.00 0.00 O ATOM 704 CB ILE A 41 51.568 2.076 -4.391 1.00 0.00 C ATOM 705 CG1 ILE A 41 50.804 2.056 -3.061 1.00 0.00 C ATOM 706 CG2 ILE A 41 52.988 1.551 -4.128 1.00 0.00 C ATOM 707 CD1 ILE A 41 49.308 1.862 -3.321 1.00 0.00 C ATOM 0 H ILE A 41 50.190 2.691 -6.378 1.00 0.00 H new ATOM 0 HA ILE A 41 51.325 4.196 -4.152 1.00 0.00 H new ATOM 0 HB ILE A 41 51.097 1.434 -5.135 1.00 0.00 H new ATOM 0 HG12 ILE A 41 51.179 1.251 -2.428 1.00 0.00 H new ATOM 0 HG13 ILE A 41 50.970 2.989 -2.522 1.00 0.00 H new ATOM 0 HG21 ILE A 41 52.933 0.541 -3.721 1.00 0.00 H new ATOM 0 HG22 ILE A 41 53.549 1.536 -5.062 1.00 0.00 H new ATOM 0 HG23 ILE A 41 53.491 2.203 -3.414 1.00 0.00 H new ATOM 0 HD11 ILE A 41 48.772 1.849 -2.372 1.00 0.00 H new ATOM 0 HD12 ILE A 41 48.936 2.682 -3.936 1.00 0.00 H new ATOM 0 HD13 ILE A 41 49.149 0.917 -3.841 1.00 0.00 H new ATOM 719 N ALA A 42 53.217 3.423 -6.760 1.00 0.00 N ATOM 720 CA ALA A 42 54.512 3.770 -7.418 1.00 0.00 C ATOM 721 C ALA A 42 54.542 5.261 -7.698 1.00 0.00 C ATOM 722 O ALA A 42 55.457 5.956 -7.300 1.00 0.00 O ATOM 723 CB ALA A 42 54.660 2.984 -8.724 1.00 0.00 C ATOM 0 H ALA A 42 52.621 2.788 -7.292 1.00 0.00 H new ATOM 0 HA ALA A 42 55.340 3.508 -6.760 1.00 0.00 H new ATOM 0 HB1 ALA A 42 55.607 3.242 -9.199 1.00 0.00 H new ATOM 0 HB2 ALA A 42 54.641 1.915 -8.510 1.00 0.00 H new ATOM 0 HB3 ALA A 42 53.838 3.234 -9.394 1.00 0.00 H new ATOM 729 N ASN A 43 53.524 5.767 -8.339 1.00 0.00 N ATOM 730 CA ASN A 43 53.463 7.231 -8.595 1.00 0.00 C ATOM 731 C ASN A 43 53.403 7.962 -7.242 1.00 0.00 C ATOM 732 O ASN A 43 53.667 9.145 -7.152 1.00 0.00 O ATOM 733 CB ASN A 43 52.209 7.555 -9.409 1.00 0.00 C ATOM 734 CG ASN A 43 52.452 8.810 -10.248 1.00 0.00 C ATOM 735 OD1 ASN A 43 53.267 9.640 -9.898 1.00 0.00 O ATOM 736 ND2 ASN A 43 51.775 8.985 -11.350 1.00 0.00 N ATOM 0 H ASN A 43 52.734 5.230 -8.695 1.00 0.00 H new ATOM 0 HA ASN A 43 54.343 7.551 -9.153 1.00 0.00 H new ATOM 0 HB2 ASN A 43 51.957 6.715 -10.057 1.00 0.00 H new ATOM 0 HB3 ASN A 43 51.360 7.710 -8.743 1.00 0.00 H new ATOM 0 HD21 ASN A 43 51.930 9.818 -11.917 1.00 0.00 H new ATOM 0 HD22 ASN A 43 51.091 8.288 -11.644 1.00 0.00 H new ATOM 743 N GLN A 44 53.050 7.253 -6.188 1.00 0.00 N ATOM 744 CA GLN A 44 52.960 7.876 -4.844 1.00 0.00 C ATOM 745 C GLN A 44 54.363 8.062 -4.241 1.00 0.00 C ATOM 746 O GLN A 44 54.594 9.003 -3.504 1.00 0.00 O ATOM 747 CB GLN A 44 52.095 6.984 -3.945 1.00 0.00 C ATOM 748 CG GLN A 44 50.664 7.534 -3.866 1.00 0.00 C ATOM 749 CD GLN A 44 50.676 8.928 -3.233 1.00 0.00 C ATOM 750 OE1 GLN A 44 51.521 9.230 -2.415 1.00 0.00 O ATOM 751 NE2 GLN A 44 49.765 9.795 -3.582 1.00 0.00 N ATOM 0 H GLN A 44 52.820 6.260 -6.214 1.00 0.00 H new ATOM 0 HA GLN A 44 52.502 8.862 -4.925 1.00 0.00 H new ATOM 0 HB2 GLN A 44 52.080 5.967 -4.337 1.00 0.00 H new ATOM 0 HB3 GLN A 44 52.528 6.934 -2.946 1.00 0.00 H new ATOM 0 HG2 GLN A 44 50.228 7.582 -4.864 1.00 0.00 H new ATOM 0 HG3 GLN A 44 50.039 6.863 -3.277 1.00 0.00 H new ATOM 0 HE21 GLN A 44 49.056 9.541 -4.269 1.00 0.00 H new ATOM 0 HE22 GLN A 44 49.763 10.727 -3.168 1.00 0.00 H new ATOM 760 N LEU A 45 55.306 7.197 -4.551 1.00 0.00 N ATOM 761 CA LEU A 45 56.688 7.374 -3.986 1.00 0.00 C ATOM 762 C LEU A 45 57.759 7.269 -5.094 1.00 0.00 C ATOM 763 O LEU A 45 58.914 6.994 -4.833 1.00 0.00 O ATOM 764 CB LEU A 45 56.933 6.370 -2.838 1.00 0.00 C ATOM 765 CG LEU A 45 57.260 4.969 -3.345 1.00 0.00 C ATOM 766 CD1 LEU A 45 57.754 4.121 -2.174 1.00 0.00 C ATOM 767 CD2 LEU A 45 55.999 4.344 -3.911 1.00 0.00 C ATOM 0 H LEU A 45 55.182 6.389 -5.161 1.00 0.00 H new ATOM 0 HA LEU A 45 56.769 8.377 -3.566 1.00 0.00 H new ATOM 0 HB2 LEU A 45 57.753 6.728 -2.216 1.00 0.00 H new ATOM 0 HB3 LEU A 45 56.048 6.326 -2.204 1.00 0.00 H new ATOM 0 HG LEU A 45 58.028 5.021 -4.117 1.00 0.00 H new ATOM 0 HD11 LEU A 45 57.991 3.117 -2.526 1.00 0.00 H new ATOM 0 HD12 LEU A 45 58.648 4.576 -1.747 1.00 0.00 H new ATOM 0 HD13 LEU A 45 56.976 4.064 -1.412 1.00 0.00 H new ATOM 0 HD21 LEU A 45 56.222 3.342 -4.276 1.00 0.00 H new ATOM 0 HD22 LEU A 45 55.240 4.285 -3.131 1.00 0.00 H new ATOM 0 HD23 LEU A 45 55.627 4.955 -4.733 1.00 0.00 H new ATOM 779 N GLY A 46 57.381 7.539 -6.318 1.00 0.00 N ATOM 780 CA GLY A 46 58.351 7.523 -7.464 1.00 0.00 C ATOM 781 C GLY A 46 59.280 6.296 -7.463 1.00 0.00 C ATOM 782 O GLY A 46 60.391 6.372 -7.956 1.00 0.00 O ATOM 0 H GLY A 46 56.424 7.775 -6.579 1.00 0.00 H new ATOM 0 HA2 GLY A 46 57.795 7.547 -8.401 1.00 0.00 H new ATOM 0 HA3 GLY A 46 58.957 8.428 -7.430 1.00 0.00 H new ATOM 786 N LEU A 47 58.848 5.171 -6.949 1.00 0.00 N ATOM 787 CA LEU A 47 59.739 3.958 -6.970 1.00 0.00 C ATOM 788 C LEU A 47 59.311 3.022 -8.113 1.00 0.00 C ATOM 789 O LEU A 47 58.321 3.251 -8.782 1.00 0.00 O ATOM 790 CB LEU A 47 59.715 3.218 -5.597 1.00 0.00 C ATOM 791 CG LEU A 47 58.722 2.037 -5.567 1.00 0.00 C ATOM 792 CD1 LEU A 47 58.684 1.421 -4.163 1.00 0.00 C ATOM 793 CD2 LEU A 47 57.326 2.507 -5.958 1.00 0.00 C ATOM 0 H LEU A 47 57.932 5.035 -6.521 1.00 0.00 H new ATOM 0 HA LEU A 47 60.766 4.279 -7.145 1.00 0.00 H new ATOM 0 HB2 LEU A 47 60.716 2.850 -5.371 1.00 0.00 H new ATOM 0 HB3 LEU A 47 59.451 3.927 -4.812 1.00 0.00 H new ATOM 0 HG LEU A 47 59.055 1.285 -6.283 1.00 0.00 H new ATOM 0 HD11 LEU A 47 57.981 0.588 -4.150 1.00 0.00 H new ATOM 0 HD12 LEU A 47 59.678 1.061 -3.897 1.00 0.00 H new ATOM 0 HD13 LEU A 47 58.366 2.175 -3.443 1.00 0.00 H new ATOM 0 HD21 LEU A 47 56.637 1.663 -5.932 1.00 0.00 H new ATOM 0 HD22 LEU A 47 56.990 3.271 -5.257 1.00 0.00 H new ATOM 0 HD23 LEU A 47 57.351 2.924 -6.965 1.00 0.00 H new ATOM 805 N GLU A 48 60.042 1.957 -8.307 1.00 0.00 N ATOM 806 CA GLU A 48 59.687 0.976 -9.365 1.00 0.00 C ATOM 807 C GLU A 48 58.780 -0.088 -8.748 1.00 0.00 C ATOM 808 O GLU A 48 58.899 -0.417 -7.586 1.00 0.00 O ATOM 809 CB GLU A 48 60.959 0.319 -9.908 1.00 0.00 C ATOM 810 CG GLU A 48 60.664 -0.319 -11.268 1.00 0.00 C ATOM 811 CD GLU A 48 61.951 -0.911 -11.843 1.00 0.00 C ATOM 812 OE1 GLU A 48 62.820 -0.140 -12.216 1.00 0.00 O ATOM 813 OE2 GLU A 48 62.046 -2.126 -11.903 1.00 0.00 O ATOM 0 H GLU A 48 60.878 1.725 -7.770 1.00 0.00 H new ATOM 0 HA GLU A 48 59.174 1.477 -10.186 1.00 0.00 H new ATOM 0 HB2 GLU A 48 61.751 1.062 -10.007 1.00 0.00 H new ATOM 0 HB3 GLU A 48 61.317 -0.437 -9.210 1.00 0.00 H new ATOM 0 HG2 GLU A 48 59.909 -1.098 -11.160 1.00 0.00 H new ATOM 0 HG3 GLU A 48 60.257 0.427 -11.951 1.00 0.00 H new ATOM 820 N LYS A 49 57.876 -0.630 -9.512 1.00 0.00 N ATOM 821 CA LYS A 49 56.952 -1.674 -8.968 1.00 0.00 C ATOM 822 C LYS A 49 57.750 -2.862 -8.408 1.00 0.00 C ATOM 823 O LYS A 49 57.231 -3.651 -7.641 1.00 0.00 O ATOM 824 CB LYS A 49 56.029 -2.167 -10.082 1.00 0.00 C ATOM 825 CG LYS A 49 54.712 -2.674 -9.479 1.00 0.00 C ATOM 826 CD LYS A 49 54.286 -3.968 -10.178 1.00 0.00 C ATOM 827 CE LYS A 49 52.846 -4.308 -9.790 1.00 0.00 C ATOM 828 NZ LYS A 49 52.846 -5.113 -8.536 1.00 0.00 N ATOM 0 H LYS A 49 57.733 -0.397 -10.495 1.00 0.00 H new ATOM 0 HA LYS A 49 56.363 -1.234 -8.163 1.00 0.00 H new ATOM 0 HB2 LYS A 49 55.830 -1.359 -10.786 1.00 0.00 H new ATOM 0 HB3 LYS A 49 56.515 -2.966 -10.642 1.00 0.00 H new ATOM 0 HG2 LYS A 49 54.835 -2.850 -8.410 1.00 0.00 H new ATOM 0 HG3 LYS A 49 53.935 -1.917 -9.590 1.00 0.00 H new ATOM 0 HD2 LYS A 49 54.365 -3.853 -11.259 1.00 0.00 H new ATOM 0 HD3 LYS A 49 54.952 -4.783 -9.895 1.00 0.00 H new ATOM 0 HE2 LYS A 49 52.271 -3.393 -9.647 1.00 0.00 H new ATOM 0 HE3 LYS A 49 52.364 -4.866 -10.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 51.867 -5.344 -8.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 53.381 -5.992 -8.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 53.290 -4.565 -7.772 1.00 0.00 H new ATOM 842 N ASP A 50 58.996 -3.006 -8.792 1.00 0.00 N ATOM 843 CA ASP A 50 59.812 -4.151 -8.292 1.00 0.00 C ATOM 844 C ASP A 50 60.228 -3.928 -6.834 1.00 0.00 C ATOM 845 O ASP A 50 60.296 -4.870 -6.063 1.00 0.00 O ATOM 846 CB ASP A 50 61.063 -4.294 -9.162 1.00 0.00 C ATOM 847 CG ASP A 50 61.694 -5.669 -8.935 1.00 0.00 C ATOM 848 OD1 ASP A 50 61.999 -5.978 -7.795 1.00 0.00 O ATOM 849 OD2 ASP A 50 61.862 -6.389 -9.905 1.00 0.00 O ATOM 0 H ASP A 50 59.482 -2.377 -9.432 1.00 0.00 H new ATOM 0 HA ASP A 50 59.211 -5.059 -8.345 1.00 0.00 H new ATOM 0 HB2 ASP A 50 60.803 -4.172 -10.213 1.00 0.00 H new ATOM 0 HB3 ASP A 50 61.779 -3.510 -8.918 1.00 0.00 H new ATOM 854 N VAL A 51 60.499 -2.705 -6.437 1.00 0.00 N ATOM 855 CA VAL A 51 60.902 -2.466 -5.018 1.00 0.00 C ATOM 856 C VAL A 51 59.637 -2.343 -4.161 1.00 0.00 C ATOM 857 O VAL A 51 59.653 -2.625 -2.976 1.00 0.00 O ATOM 858 CB VAL A 51 61.750 -1.185 -4.924 1.00 0.00 C ATOM 859 CG1 VAL A 51 60.965 -0.001 -5.489 1.00 0.00 C ATOM 860 CG2 VAL A 51 62.119 -0.905 -3.459 1.00 0.00 C ATOM 0 H VAL A 51 60.459 -1.874 -7.027 1.00 0.00 H new ATOM 0 HA VAL A 51 61.504 -3.299 -4.654 1.00 0.00 H new ATOM 0 HB VAL A 51 62.663 -1.323 -5.503 1.00 0.00 H new ATOM 0 HG11 VAL A 51 61.570 0.903 -5.420 1.00 0.00 H new ATOM 0 HG12 VAL A 51 60.718 -0.193 -6.533 1.00 0.00 H new ATOM 0 HG13 VAL A 51 60.047 0.133 -4.917 1.00 0.00 H new ATOM 0 HG21 VAL A 51 62.719 0.003 -3.402 1.00 0.00 H new ATOM 0 HG22 VAL A 51 61.209 -0.776 -2.873 1.00 0.00 H new ATOM 0 HG23 VAL A 51 62.691 -1.743 -3.061 1.00 0.00 H new ATOM 870 N VAL A 52 58.541 -1.937 -4.755 1.00 0.00 N ATOM 871 CA VAL A 52 57.277 -1.807 -3.985 1.00 0.00 C ATOM 872 C VAL A 52 56.707 -3.213 -3.735 1.00 0.00 C ATOM 873 O VAL A 52 56.053 -3.460 -2.739 1.00 0.00 O ATOM 874 CB VAL A 52 56.292 -0.894 -4.775 1.00 0.00 C ATOM 875 CG1 VAL A 52 55.252 -1.696 -5.577 1.00 0.00 C ATOM 876 CG2 VAL A 52 55.573 0.027 -3.784 1.00 0.00 C ATOM 0 H VAL A 52 58.473 -1.691 -5.743 1.00 0.00 H new ATOM 0 HA VAL A 52 57.448 -1.339 -3.015 1.00 0.00 H new ATOM 0 HB VAL A 52 56.875 -0.319 -5.494 1.00 0.00 H new ATOM 0 HG11 VAL A 52 54.593 -1.009 -6.107 1.00 0.00 H new ATOM 0 HG12 VAL A 52 55.762 -2.337 -6.296 1.00 0.00 H new ATOM 0 HG13 VAL A 52 54.663 -2.311 -4.897 1.00 0.00 H new ATOM 0 HG21 VAL A 52 54.880 0.672 -4.324 1.00 0.00 H new ATOM 0 HG22 VAL A 52 55.021 -0.575 -3.062 1.00 0.00 H new ATOM 0 HG23 VAL A 52 56.306 0.640 -3.260 1.00 0.00 H new ATOM 886 N ARG A 53 56.954 -4.128 -4.642 1.00 0.00 N ATOM 887 CA ARG A 53 56.434 -5.513 -4.475 1.00 0.00 C ATOM 888 C ARG A 53 57.313 -6.273 -3.480 1.00 0.00 C ATOM 889 O ARG A 53 56.822 -7.029 -2.663 1.00 0.00 O ATOM 890 CB ARG A 53 56.452 -6.225 -5.829 1.00 0.00 C ATOM 891 CG ARG A 53 55.359 -7.295 -5.859 1.00 0.00 C ATOM 892 CD ARG A 53 55.955 -8.645 -5.460 1.00 0.00 C ATOM 893 NE ARG A 53 56.588 -9.275 -6.652 1.00 0.00 N ATOM 894 CZ ARG A 53 55.880 -10.037 -7.438 1.00 0.00 C ATOM 895 NH1 ARG A 53 55.183 -11.020 -6.936 1.00 0.00 N ATOM 896 NH2 ARG A 53 55.867 -9.816 -8.725 1.00 0.00 N ATOM 0 H ARG A 53 57.496 -3.970 -5.492 1.00 0.00 H new ATOM 0 HA ARG A 53 55.412 -5.478 -4.096 1.00 0.00 H new ATOM 0 HB2 ARG A 53 56.293 -5.505 -6.632 1.00 0.00 H new ATOM 0 HB3 ARG A 53 57.427 -6.682 -5.999 1.00 0.00 H new ATOM 0 HG2 ARG A 53 54.553 -7.026 -5.177 1.00 0.00 H new ATOM 0 HG3 ARG A 53 54.924 -7.358 -6.857 1.00 0.00 H new ATOM 0 HD2 ARG A 53 56.694 -8.510 -4.670 1.00 0.00 H new ATOM 0 HD3 ARG A 53 55.177 -9.295 -5.061 1.00 0.00 H new ATOM 0 HE ARG A 53 57.574 -9.110 -6.853 1.00 0.00 H new ATOM 0 HH11 ARG A 53 55.193 -11.191 -5.930 1.00 0.00 H new ATOM 0 HH12 ARG A 53 54.628 -11.617 -7.549 1.00 0.00 H new ATOM 0 HH21 ARG A 53 56.411 -9.047 -9.116 1.00 0.00 H new ATOM 0 HH22 ARG A 53 55.313 -10.413 -9.339 1.00 0.00 H new ATOM 910 N VAL A 54 58.609 -6.077 -3.541 1.00 0.00 N ATOM 911 CA VAL A 54 59.523 -6.787 -2.594 1.00 0.00 C ATOM 912 C VAL A 54 59.188 -6.380 -1.159 1.00 0.00 C ATOM 913 O VAL A 54 59.062 -7.224 -0.290 1.00 0.00 O ATOM 914 CB VAL A 54 60.978 -6.429 -2.917 1.00 0.00 C ATOM 915 CG1 VAL A 54 61.920 -7.211 -1.997 1.00 0.00 C ATOM 916 CG2 VAL A 54 61.279 -6.789 -4.375 1.00 0.00 C ATOM 0 H VAL A 54 59.072 -5.456 -4.205 1.00 0.00 H new ATOM 0 HA VAL A 54 59.392 -7.864 -2.699 1.00 0.00 H new ATOM 0 HB VAL A 54 61.128 -5.360 -2.764 1.00 0.00 H new ATOM 0 HG11 VAL A 54 62.953 -6.953 -2.230 1.00 0.00 H new ATOM 0 HG12 VAL A 54 61.708 -6.957 -0.958 1.00 0.00 H new ATOM 0 HG13 VAL A 54 61.770 -8.280 -2.147 1.00 0.00 H new ATOM 0 HG21 VAL A 54 62.313 -6.535 -4.606 1.00 0.00 H new ATOM 0 HG22 VAL A 54 61.125 -7.858 -4.525 1.00 0.00 H new ATOM 0 HG23 VAL A 54 60.613 -6.231 -5.033 1.00 0.00 H new ATOM 926 N TRP A 55 59.027 -5.102 -0.898 1.00 0.00 N ATOM 927 CA TRP A 55 58.685 -4.675 0.492 1.00 0.00 C ATOM 928 C TRP A 55 57.314 -5.256 0.852 1.00 0.00 C ATOM 929 O TRP A 55 57.144 -5.794 1.925 1.00 0.00 O ATOM 930 CB TRP A 55 58.668 -3.131 0.604 1.00 0.00 C ATOM 931 CG TRP A 55 57.935 -2.689 1.852 1.00 0.00 C ATOM 932 CD1 TRP A 55 58.468 -2.577 3.099 1.00 0.00 C ATOM 933 CD2 TRP A 55 56.529 -2.325 1.987 1.00 0.00 C ATOM 934 NE1 TRP A 55 57.476 -2.154 3.968 1.00 0.00 N ATOM 935 CE2 TRP A 55 56.275 -1.983 3.330 1.00 0.00 C ATOM 936 CE3 TRP A 55 55.460 -2.253 1.081 1.00 0.00 C ATOM 937 CZ2 TRP A 55 55.016 -1.583 3.760 1.00 0.00 C ATOM 938 CZ3 TRP A 55 54.187 -1.855 1.514 1.00 0.00 C ATOM 939 CH2 TRP A 55 53.967 -1.521 2.852 1.00 0.00 C ATOM 0 H TRP A 55 59.117 -4.348 -1.579 1.00 0.00 H new ATOM 0 HA TRP A 55 59.439 -5.045 1.186 1.00 0.00 H new ATOM 0 HB2 TRP A 55 59.690 -2.752 0.624 1.00 0.00 H new ATOM 0 HB3 TRP A 55 58.187 -2.704 -0.276 1.00 0.00 H new ATOM 0 HD1 TRP A 55 59.494 -2.784 3.367 1.00 0.00 H new ATOM 0 HE1 TRP A 55 57.622 -1.989 4.964 1.00 0.00 H new ATOM 0 HE3 TRP A 55 55.619 -2.506 0.043 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 54.854 -1.322 4.795 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 53.371 -1.806 0.808 1.00 0.00 H new ATOM 0 HH2 TRP A 55 52.984 -1.215 3.180 1.00 0.00 H new ATOM 950 N PHE A 56 56.333 -5.138 -0.017 1.00 0.00 N ATOM 951 CA PHE A 56 54.994 -5.680 0.342 1.00 0.00 C ATOM 952 C PHE A 56 54.925 -7.190 0.142 1.00 0.00 C ATOM 953 O PHE A 56 53.901 -7.791 0.403 1.00 0.00 O ATOM 954 CB PHE A 56 53.863 -4.996 -0.437 1.00 0.00 C ATOM 955 CG PHE A 56 52.615 -5.037 0.427 1.00 0.00 C ATOM 956 CD1 PHE A 56 52.661 -4.525 1.728 1.00 0.00 C ATOM 957 CD2 PHE A 56 51.430 -5.613 -0.047 1.00 0.00 C ATOM 958 CE1 PHE A 56 51.546 -4.581 2.551 1.00 0.00 C ATOM 959 CE2 PHE A 56 50.303 -5.672 0.787 1.00 0.00 C ATOM 960 CZ PHE A 56 50.369 -5.152 2.088 1.00 0.00 C ATOM 0 H PHE A 56 56.404 -4.700 -0.935 1.00 0.00 H new ATOM 0 HA PHE A 56 54.853 -5.463 1.401 1.00 0.00 H new ATOM 0 HB2 PHE A 56 54.130 -3.966 -0.674 1.00 0.00 H new ATOM 0 HB3 PHE A 56 53.689 -5.506 -1.385 1.00 0.00 H new ATOM 0 HD1 PHE A 56 53.575 -4.081 2.096 1.00 0.00 H new ATOM 0 HD2 PHE A 56 51.384 -6.010 -1.050 1.00 0.00 H new ATOM 0 HE1 PHE A 56 51.594 -4.180 3.553 1.00 0.00 H new ATOM 0 HE2 PHE A 56 49.387 -6.117 0.428 1.00 0.00 H new ATOM 0 HZ PHE A 56 49.502 -5.196 2.731 1.00 0.00 H new ATOM 970 N CYS A 57 55.997 -7.822 -0.268 1.00 0.00 N ATOM 971 CA CYS A 57 55.961 -9.304 -0.411 1.00 0.00 C ATOM 972 C CYS A 57 56.141 -9.885 0.986 1.00 0.00 C ATOM 973 O CYS A 57 55.515 -10.860 1.356 1.00 0.00 O ATOM 974 CB CYS A 57 57.087 -9.781 -1.330 1.00 0.00 C ATOM 975 SG CYS A 57 56.874 -11.545 -1.678 1.00 0.00 S ATOM 0 H CYS A 57 56.884 -7.379 -0.507 1.00 0.00 H new ATOM 0 HA CYS A 57 55.019 -9.628 -0.853 1.00 0.00 H new ATOM 0 HB2 CYS A 57 57.078 -9.212 -2.260 1.00 0.00 H new ATOM 0 HB3 CYS A 57 58.054 -9.606 -0.859 1.00 0.00 H new ATOM 0 HG CYS A 57 57.829 -11.951 -2.461 1.00 0.00 H new ATOM 981 N ASN A 58 56.971 -9.255 1.776 1.00 0.00 N ATOM 982 CA ASN A 58 57.178 -9.716 3.174 1.00 0.00 C ATOM 983 C ASN A 58 56.133 -9.031 4.065 1.00 0.00 C ATOM 984 O ASN A 58 55.718 -9.570 5.074 1.00 0.00 O ATOM 985 CB ASN A 58 58.585 -9.341 3.641 1.00 0.00 C ATOM 986 CG ASN A 58 59.590 -10.357 3.095 1.00 0.00 C ATOM 987 OD1 ASN A 58 60.026 -10.250 1.966 1.00 0.00 O ATOM 988 ND2 ASN A 58 59.978 -11.346 3.853 1.00 0.00 N ATOM 0 H ASN A 58 57.516 -8.436 1.508 1.00 0.00 H new ATOM 0 HA ASN A 58 57.070 -10.799 3.233 1.00 0.00 H new ATOM 0 HB2 ASN A 58 58.840 -8.339 3.295 1.00 0.00 H new ATOM 0 HB3 ASN A 58 58.626 -9.322 4.730 1.00 0.00 H new ATOM 0 HD21 ASN A 58 60.647 -12.029 3.498 1.00 0.00 H new ATOM 0 HD22 ASN A 58 59.612 -11.436 4.801 1.00 0.00 H new ATOM 995 N ARG A 59 55.691 -7.849 3.686 1.00 0.00 N ATOM 996 CA ARG A 59 54.657 -7.136 4.494 1.00 0.00 C ATOM 997 C ARG A 59 53.309 -7.838 4.283 1.00 0.00 C ATOM 998 O ARG A 59 52.440 -7.782 5.133 1.00 0.00 O ATOM 999 CB ARG A 59 54.563 -5.646 4.064 1.00 0.00 C ATOM 1000 CG ARG A 59 54.898 -4.694 5.227 1.00 0.00 C ATOM 1001 CD ARG A 59 56.155 -5.127 6.008 1.00 0.00 C ATOM 1002 NE ARG A 59 57.223 -5.543 5.058 1.00 0.00 N ATOM 1003 CZ ARG A 59 58.372 -5.968 5.508 1.00 0.00 C ATOM 1004 NH1 ARG A 59 58.415 -6.777 6.532 1.00 0.00 N ATOM 1005 NH2 ARG A 59 59.479 -5.584 4.934 1.00 0.00 N ATOM 0 H ARG A 59 56.005 -7.353 2.852 1.00 0.00 H new ATOM 0 HA ARG A 59 54.929 -7.163 5.549 1.00 0.00 H new ATOM 0 HB2 ARG A 59 55.247 -5.463 3.235 1.00 0.00 H new ATOM 0 HB3 ARG A 59 53.558 -5.435 3.700 1.00 0.00 H new ATOM 0 HG2 ARG A 59 55.047 -3.688 4.836 1.00 0.00 H new ATOM 0 HG3 ARG A 59 54.049 -4.648 5.909 1.00 0.00 H new ATOM 0 HD2 ARG A 59 56.509 -4.304 6.629 1.00 0.00 H new ATOM 0 HD3 ARG A 59 55.911 -5.951 6.679 1.00 0.00 H new ATOM 0 HE ARG A 59 57.056 -5.496 4.053 1.00 0.00 H new ATOM 0 HH11 ARG A 59 57.550 -7.078 6.981 1.00 0.00 H new ATOM 0 HH12 ARG A 59 59.314 -7.108 6.883 1.00 0.00 H new ATOM 0 HH21 ARG A 59 59.446 -4.952 4.134 1.00 0.00 H new ATOM 0 HH22 ARG A 59 60.377 -5.916 5.285 1.00 0.00 H new ATOM 1019 N ARG A 60 53.133 -8.521 3.168 1.00 0.00 N ATOM 1020 CA ARG A 60 51.848 -9.242 2.933 1.00 0.00 C ATOM 1021 C ARG A 60 51.963 -10.654 3.525 1.00 0.00 C ATOM 1022 O ARG A 60 51.006 -11.213 4.025 1.00 0.00 O ATOM 1023 CB ARG A 60 51.550 -9.308 1.421 1.00 0.00 C ATOM 1024 CG ARG A 60 52.543 -10.237 0.706 1.00 0.00 C ATOM 1025 CD ARG A 60 52.273 -10.209 -0.799 1.00 0.00 C ATOM 1026 NE ARG A 60 51.324 -11.303 -1.151 1.00 0.00 N ATOM 1027 CZ ARG A 60 51.230 -11.716 -2.385 1.00 0.00 C ATOM 1028 NH1 ARG A 60 50.971 -10.865 -3.340 1.00 0.00 N ATOM 1029 NH2 ARG A 60 51.396 -12.980 -2.664 1.00 0.00 N ATOM 0 H ARG A 60 53.822 -8.605 2.421 1.00 0.00 H new ATOM 0 HA ARG A 60 51.027 -8.712 3.416 1.00 0.00 H new ATOM 0 HB2 ARG A 60 50.533 -9.665 1.262 1.00 0.00 H new ATOM 0 HB3 ARG A 60 51.607 -8.308 0.991 1.00 0.00 H new ATOM 0 HG2 ARG A 60 53.566 -9.919 0.909 1.00 0.00 H new ATOM 0 HG3 ARG A 60 52.444 -11.254 1.085 1.00 0.00 H new ATOM 0 HD2 ARG A 60 51.856 -9.244 -1.087 1.00 0.00 H new ATOM 0 HD3 ARG A 60 53.206 -10.330 -1.350 1.00 0.00 H new ATOM 0 HE ARG A 60 50.747 -11.730 -0.426 1.00 0.00 H new ATOM 0 HH11 ARG A 60 50.842 -9.877 -3.122 1.00 0.00 H new ATOM 0 HH12 ARG A 60 50.898 -11.188 -4.305 1.00 0.00 H new ATOM 0 HH21 ARG A 60 51.599 -13.645 -1.917 1.00 0.00 H new ATOM 0 HH22 ARG A 60 51.323 -13.303 -3.629 1.00 0.00 H new ATOM 1043 N GLN A 61 53.142 -11.222 3.469 1.00 0.00 N ATOM 1044 CA GLN A 61 53.354 -12.589 4.025 1.00 0.00 C ATOM 1045 C GLN A 61 54.363 -12.513 5.172 1.00 0.00 C ATOM 1046 O GLN A 61 55.394 -13.160 5.160 1.00 0.00 O ATOM 1047 CB GLN A 61 53.885 -13.513 2.923 1.00 0.00 C ATOM 1048 CG GLN A 61 52.752 -13.862 1.958 1.00 0.00 C ATOM 1049 CD GLN A 61 52.012 -15.100 2.469 1.00 0.00 C ATOM 1050 OE1 GLN A 61 52.627 -16.054 2.901 1.00 0.00 O ATOM 1051 NE2 GLN A 61 50.708 -15.124 2.438 1.00 0.00 N ATOM 0 H GLN A 61 53.971 -10.792 3.059 1.00 0.00 H new ATOM 0 HA GLN A 61 52.410 -12.986 4.398 1.00 0.00 H new ATOM 0 HB2 GLN A 61 54.697 -13.025 2.385 1.00 0.00 H new ATOM 0 HB3 GLN A 61 54.295 -14.422 3.363 1.00 0.00 H new ATOM 0 HG2 GLN A 61 52.062 -13.023 1.871 1.00 0.00 H new ATOM 0 HG3 GLN A 61 53.153 -14.050 0.962 1.00 0.00 H new ATOM 0 HE21 GLN A 61 50.192 -14.323 2.075 1.00 0.00 H new ATOM 0 HE22 GLN A 61 50.205 -15.944 2.777 1.00 0.00 H new ATOM 1060 N LYS A 62 54.063 -11.718 6.163 1.00 0.00 N ATOM 1061 CA LYS A 62 54.984 -11.574 7.325 1.00 0.00 C ATOM 1062 C LYS A 62 54.774 -12.737 8.303 1.00 0.00 C ATOM 1063 O LYS A 62 55.671 -13.108 9.036 1.00 0.00 O ATOM 1064 CB LYS A 62 54.698 -10.244 8.026 1.00 0.00 C ATOM 1065 CG LYS A 62 53.232 -10.189 8.469 1.00 0.00 C ATOM 1066 CD LYS A 62 53.030 -9.009 9.420 1.00 0.00 C ATOM 1067 CE LYS A 62 52.909 -7.717 8.610 1.00 0.00 C ATOM 1068 NZ LYS A 62 52.238 -6.674 9.437 1.00 0.00 N ATOM 0 H LYS A 62 53.212 -11.158 6.217 1.00 0.00 H new ATOM 0 HA LYS A 62 56.017 -11.590 6.979 1.00 0.00 H new ATOM 0 HB2 LYS A 62 55.352 -10.131 8.891 1.00 0.00 H new ATOM 0 HB3 LYS A 62 54.914 -9.415 7.352 1.00 0.00 H new ATOM 0 HG2 LYS A 62 52.582 -10.085 7.600 1.00 0.00 H new ATOM 0 HG3 LYS A 62 52.955 -11.120 8.964 1.00 0.00 H new ATOM 0 HD2 LYS A 62 52.132 -9.161 10.019 1.00 0.00 H new ATOM 0 HD3 LYS A 62 53.868 -8.939 10.113 1.00 0.00 H new ATOM 0 HE2 LYS A 62 53.897 -7.373 8.303 1.00 0.00 H new ATOM 0 HE3 LYS A 62 52.338 -7.898 7.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 52.155 -5.795 8.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 51.290 -7.003 9.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 52.800 -6.495 10.293 1.00 0.00 H new ATOM 1082 N GLY A 63 53.596 -13.311 8.319 1.00 0.00 N ATOM 1083 CA GLY A 63 53.324 -14.448 9.247 1.00 0.00 C ATOM 1084 C GLY A 63 51.945 -14.271 9.883 1.00 0.00 C ATOM 1085 O GLY A 63 51.827 -13.995 11.062 1.00 0.00 O ATOM 0 H GLY A 63 52.811 -13.039 7.727 1.00 0.00 H new ATOM 0 HA2 GLY A 63 53.367 -15.392 8.704 1.00 0.00 H new ATOM 0 HA3 GLY A 63 54.090 -14.490 10.021 1.00 0.00 H new ATOM 1089 N LYS A 64 50.901 -14.427 9.108 1.00 0.00 N ATOM 1090 CA LYS A 64 49.523 -14.269 9.658 1.00 0.00 C ATOM 1091 C LYS A 64 48.923 -15.646 9.947 1.00 0.00 C ATOM 1092 O LYS A 64 47.720 -15.829 9.897 1.00 0.00 O ATOM 1093 CB LYS A 64 48.651 -13.539 8.634 1.00 0.00 C ATOM 1094 CG LYS A 64 47.520 -12.803 9.356 1.00 0.00 C ATOM 1095 CD LYS A 64 47.964 -11.373 9.696 1.00 0.00 C ATOM 1096 CE LYS A 64 46.867 -10.382 9.301 1.00 0.00 C ATOM 1097 NZ LYS A 64 47.490 -9.104 8.855 1.00 0.00 N ATOM 0 H LYS A 64 50.946 -14.658 8.115 1.00 0.00 H new ATOM 0 HA LYS A 64 49.565 -13.693 10.582 1.00 0.00 H new ATOM 0 HB2 LYS A 64 49.255 -12.831 8.066 1.00 0.00 H new ATOM 0 HB3 LYS A 64 48.238 -14.251 7.920 1.00 0.00 H new ATOM 0 HG2 LYS A 64 46.630 -12.777 8.727 1.00 0.00 H new ATOM 0 HG3 LYS A 64 47.250 -13.336 10.268 1.00 0.00 H new ATOM 0 HD2 LYS A 64 48.174 -11.291 10.763 1.00 0.00 H new ATOM 0 HD3 LYS A 64 48.889 -11.135 9.170 1.00 0.00 H new ATOM 0 HE2 LYS A 64 46.256 -10.800 8.501 1.00 0.00 H new ATOM 0 HE3 LYS A 64 46.204 -10.200 10.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 46.745 -8.430 8.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 48.055 -8.704 9.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 48.105 -9.285 8.036 1.00 0.00 H new ATOM 1111 N ARG A 65 49.750 -16.616 10.249 1.00 0.00 N ATOM 1112 CA ARG A 65 49.230 -17.985 10.541 1.00 0.00 C ATOM 1113 C ARG A 65 49.532 -18.358 11.996 1.00 0.00 C ATOM 1114 O ARG A 65 48.805 -19.117 12.610 1.00 0.00 O ATOM 1115 CB ARG A 65 49.892 -19.001 9.604 1.00 0.00 C ATOM 1116 CG ARG A 65 51.412 -18.822 9.633 1.00 0.00 C ATOM 1117 CD ARG A 65 52.087 -20.121 9.191 1.00 0.00 C ATOM 1118 NE ARG A 65 52.070 -20.207 7.704 1.00 0.00 N ATOM 1119 CZ ARG A 65 51.667 -21.302 7.119 1.00 0.00 C ATOM 1120 NH1 ARG A 65 50.476 -21.774 7.370 1.00 0.00 N ATOM 1121 NH2 ARG A 65 52.454 -21.925 6.286 1.00 0.00 N ATOM 0 H ARG A 65 50.764 -16.518 10.306 1.00 0.00 H new ATOM 0 HA ARG A 65 48.151 -17.996 10.384 1.00 0.00 H new ATOM 0 HB2 ARG A 65 49.630 -20.014 9.909 1.00 0.00 H new ATOM 0 HB3 ARG A 65 49.521 -18.868 8.588 1.00 0.00 H new ATOM 0 HG2 ARG A 65 51.705 -18.005 8.974 1.00 0.00 H new ATOM 0 HG3 ARG A 65 51.738 -18.554 10.638 1.00 0.00 H new ATOM 0 HD2 ARG A 65 53.113 -20.153 9.556 1.00 0.00 H new ATOM 0 HD3 ARG A 65 51.569 -20.978 9.622 1.00 0.00 H new ATOM 0 HE ARG A 65 52.373 -19.411 7.143 1.00 0.00 H new ATOM 0 HH11 ARG A 65 49.862 -21.287 8.023 1.00 0.00 H new ATOM 0 HH12 ARG A 65 50.160 -22.630 6.913 1.00 0.00 H new ATOM 0 HH21 ARG A 65 53.385 -21.557 6.091 1.00 0.00 H new ATOM 0 HH22 ARG A 65 52.138 -22.781 5.829 1.00 0.00 H new ATOM 1135 N SER A 66 50.595 -17.833 12.550 1.00 0.00 N ATOM 1136 CA SER A 66 50.945 -18.157 13.965 1.00 0.00 C ATOM 1137 C SER A 66 51.675 -16.970 14.596 1.00 0.00 C ATOM 1138 O SER A 66 52.138 -16.078 13.910 1.00 0.00 O ATOM 1139 CB SER A 66 51.851 -19.389 13.998 1.00 0.00 C ATOM 1140 OG SER A 66 51.723 -20.031 15.260 1.00 0.00 O ATOM 0 H SER A 66 51.237 -17.193 12.082 1.00 0.00 H new ATOM 0 HA SER A 66 50.033 -18.362 14.526 1.00 0.00 H new ATOM 0 HB2 SER A 66 51.579 -20.077 13.198 1.00 0.00 H new ATOM 0 HB3 SER A 66 52.888 -19.097 13.829 1.00 0.00 H new ATOM 0 HG SER A 66 52.301 -20.822 15.285 1.00 0.00 H new ATOM 1146 N SER A 67 51.781 -16.956 15.901 1.00 0.00 N ATOM 1147 CA SER A 67 52.481 -15.833 16.590 1.00 0.00 C ATOM 1148 C SER A 67 53.953 -16.200 16.787 1.00 0.00 C ATOM 1149 O SER A 67 54.747 -15.294 16.980 1.00 0.00 O ATOM 1150 CB SER A 67 51.827 -15.586 17.953 1.00 0.00 C ATOM 1151 OG SER A 67 50.885 -14.528 17.837 1.00 0.00 O ATOM 1152 OXT SER A 67 54.260 -17.380 16.742 1.00 0.00 O ATOM 0 H SER A 67 51.411 -17.678 16.520 1.00 0.00 H new ATOM 0 HA SER A 67 52.409 -14.929 15.985 1.00 0.00 H new ATOM 0 HB2 SER A 67 51.332 -16.492 18.301 1.00 0.00 H new ATOM 0 HB3 SER A 67 52.586 -15.333 18.693 1.00 0.00 H new ATOM 0 HG SER A 67 50.463 -14.369 18.707 1.00 0.00 H new TER 1158 SER A 67