USER MOD reduce.3.24.130724 H: found=0, std=0, add=624, rem=0, adj=13 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 25 TYR OH : rot 155:sc= 0.613 USER MOD Set 1.2: A 29 THR OG1 : rot 180:sc= 0 USER MOD Set 1.3: A 57 THR OG1 : rot 180:sc= 0 USER MOD Set 1.4: A 64 SER OG : rot 5:sc= -3.96! USER MOD Single : A 1 MET CE :methyl -122:sc= -0.925 (180deg=-4.81!) USER MOD Single : A 1 MET N :NH3+ -105:sc= 1.08 (180deg=-1.03!) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 ASN : amide:sc= -2.16 K(o=-2.2,f=-3.9!) USER MOD Single : A 15 ASN : amide:sc= -0.806 X(o=-0.81,f=-0.76) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= -0.155 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -1.95 K(o=-2,f=-3.8!) USER MOD Single : A 37 ASN : amide:sc=-0.00233 X(o=-0.0023,f=-0.13) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 MET CE :methyl -109:sc= -1.38 (180deg=-5.65!) USER MOD Single : A 44 ASN : amide:sc= -0.954 K(o=-0.95,f=-0.046) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot 107:sc= 0.723 USER MOD Single : A 69 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00474) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 MET CE :methyl -106:sc= -0.125 (180deg=-2.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.348 -10.519 8.987 1.00 0.00 N ATOM 2 CA MET A 1 -10.928 -10.813 9.072 1.00 0.00 C ATOM 3 C MET A 1 -10.343 -10.315 10.395 1.00 0.00 C ATOM 4 O MET A 1 -11.074 -9.834 11.259 1.00 0.00 O ATOM 5 CB MET A 1 -10.197 -10.143 7.906 1.00 0.00 C ATOM 6 CG MET A 1 -10.579 -8.665 7.796 1.00 0.00 C ATOM 7 SD MET A 1 -12.124 -8.498 6.918 1.00 0.00 S ATOM 8 CE MET A 1 -12.451 -6.765 7.193 1.00 0.00 C ATOM 0 H1 MET A 1 -12.893 -11.392 9.139 1.00 0.00 H new ATOM 0 H2 MET A 1 -12.602 -9.821 9.715 1.00 0.00 H new ATOM 0 H3 MET A 1 -12.567 -10.133 8.046 1.00 0.00 H new ATOM 0 HA MET A 1 -10.796 -11.894 9.022 1.00 0.00 H new ATOM 0 HB2 MET A 1 -9.120 -10.234 8.047 1.00 0.00 H new ATOM 0 HB3 MET A 1 -10.442 -10.656 6.976 1.00 0.00 H new ATOM 0 HG2 MET A 1 -10.668 -8.229 8.791 1.00 0.00 H new ATOM 0 HG3 MET A 1 -9.794 -8.116 7.276 1.00 0.00 H new ATOM 0 HE1 MET A 1 -13.414 -6.651 7.691 1.00 0.00 H new ATOM 0 HE2 MET A 1 -11.666 -6.342 7.820 1.00 0.00 H new ATOM 0 HE3 MET A 1 -12.473 -6.243 6.237 1.00 0.00 H new ATOM 18 N ASP A 2 -9.029 -10.448 10.512 1.00 0.00 N ATOM 19 CA ASP A 2 -8.338 -10.017 11.715 1.00 0.00 C ATOM 20 C ASP A 2 -7.327 -8.927 11.355 1.00 0.00 C ATOM 21 O ASP A 2 -6.464 -9.132 10.503 1.00 0.00 O ATOM 22 CB ASP A 2 -7.573 -11.178 12.356 1.00 0.00 C ATOM 23 CG ASP A 2 -8.306 -11.882 13.500 1.00 0.00 C ATOM 24 OD1 ASP A 2 -9.148 -11.209 14.133 1.00 0.00 O ATOM 25 OD2 ASP A 2 -8.007 -13.076 13.715 1.00 0.00 O ATOM 0 H ASP A 2 -8.426 -10.848 9.793 1.00 0.00 H new ATOM 0 HA ASP A 2 -9.084 -9.644 12.417 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -7.344 -11.913 11.584 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -6.621 -10.803 12.731 1.00 0.00 H new ATOM 30 N ILE A 3 -7.467 -7.791 12.022 1.00 0.00 N ATOM 31 CA ILE A 3 -6.577 -6.668 11.783 1.00 0.00 C ATOM 32 C ILE A 3 -5.640 -6.501 12.981 1.00 0.00 C ATOM 33 O ILE A 3 -6.040 -6.726 14.122 1.00 0.00 O ATOM 34 CB ILE A 3 -7.381 -5.409 11.450 1.00 0.00 C ATOM 35 CG1 ILE A 3 -8.171 -5.589 10.153 1.00 0.00 C ATOM 36 CG2 ILE A 3 -6.475 -4.177 11.403 1.00 0.00 C ATOM 37 CD1 ILE A 3 -8.568 -4.236 9.560 1.00 0.00 C ATOM 0 H ILE A 3 -8.184 -7.624 12.728 1.00 0.00 H new ATOM 0 HA ILE A 3 -5.950 -6.857 10.912 1.00 0.00 H new ATOM 0 HB ILE A 3 -8.106 -5.246 12.248 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -7.571 -6.144 9.432 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -9.065 -6.181 10.347 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -7.071 -3.296 11.164 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -5.997 -4.040 12.373 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -5.711 -4.316 10.638 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -9.129 -4.393 8.638 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -9.188 -3.694 10.274 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -7.671 -3.656 9.344 1.00 0.00 H new ATOM 49 N LYS A 4 -4.411 -6.108 12.680 1.00 0.00 N ATOM 50 CA LYS A 4 -3.414 -5.908 13.718 1.00 0.00 C ATOM 51 C LYS A 4 -2.634 -4.624 13.430 1.00 0.00 C ATOM 52 O LYS A 4 -1.890 -4.551 12.453 1.00 0.00 O ATOM 53 CB LYS A 4 -2.528 -7.148 13.855 1.00 0.00 C ATOM 54 CG LYS A 4 -1.693 -7.368 12.592 1.00 0.00 C ATOM 55 CD LYS A 4 -1.047 -8.755 12.596 1.00 0.00 C ATOM 56 CE LYS A 4 0.445 -8.664 12.922 1.00 0.00 C ATOM 57 NZ LYS A 4 0.767 -9.486 14.110 1.00 0.00 N ATOM 0 H LYS A 4 -4.083 -5.923 11.732 1.00 0.00 H new ATOM 0 HA LYS A 4 -3.894 -5.778 14.688 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -1.869 -7.035 14.716 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -3.149 -8.024 14.042 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -2.325 -7.260 11.711 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -0.920 -6.603 12.525 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -1.545 -9.390 13.329 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -1.182 -9.226 11.622 1.00 0.00 H new ATOM 0 HE2 LYS A 4 1.031 -9.003 12.068 1.00 0.00 H new ATOM 0 HE3 LYS A 4 0.721 -7.625 13.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 1.783 -9.413 14.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 0.221 -9.144 14.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 0.523 -10.479 13.922 1.00 0.00 H new ATOM 71 N ILE A 5 -2.831 -3.642 14.298 1.00 0.00 N ATOM 72 CA ILE A 5 -2.155 -2.365 14.149 1.00 0.00 C ATOM 73 C ILE A 5 -0.650 -2.564 14.337 1.00 0.00 C ATOM 74 O ILE A 5 -0.197 -2.901 15.429 1.00 0.00 O ATOM 75 CB ILE A 5 -2.761 -1.325 15.094 1.00 0.00 C ATOM 76 CG1 ILE A 5 -4.231 -1.069 14.758 1.00 0.00 C ATOM 77 CG2 ILE A 5 -1.939 -0.035 15.088 1.00 0.00 C ATOM 78 CD1 ILE A 5 -5.082 -1.012 16.028 1.00 0.00 C ATOM 0 H ILE A 5 -3.449 -3.706 15.107 1.00 0.00 H new ATOM 0 HA ILE A 5 -2.301 -1.972 13.143 1.00 0.00 H new ATOM 0 HB ILE A 5 -2.728 -1.724 16.108 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -4.325 -0.131 14.211 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -4.601 -1.858 14.103 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -2.391 0.688 15.768 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -0.921 -0.251 15.412 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -1.919 0.379 14.080 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -6.123 -0.829 15.761 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -5.005 -1.960 16.560 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -4.725 -0.206 16.669 1.00 0.00 H new ATOM 90 N ILE A 6 0.083 -2.347 13.255 1.00 0.00 N ATOM 91 CA ILE A 6 1.528 -2.498 13.287 1.00 0.00 C ATOM 92 C ILE A 6 2.148 -1.286 13.985 1.00 0.00 C ATOM 93 O ILE A 6 2.660 -1.401 15.097 1.00 0.00 O ATOM 94 CB ILE A 6 2.072 -2.741 11.878 1.00 0.00 C ATOM 95 CG1 ILE A 6 1.595 -4.088 11.330 1.00 0.00 C ATOM 96 CG2 ILE A 6 3.597 -2.620 11.851 1.00 0.00 C ATOM 97 CD1 ILE A 6 2.534 -5.218 11.759 1.00 0.00 C ATOM 0 H ILE A 6 -0.297 -2.068 12.350 1.00 0.00 H new ATOM 0 HA ILE A 6 1.806 -3.377 13.868 1.00 0.00 H new ATOM 0 HB ILE A 6 1.675 -1.967 11.221 1.00 0.00 H new ATOM 0 HG12 ILE A 6 0.586 -4.293 11.687 1.00 0.00 H new ATOM 0 HG13 ILE A 6 1.545 -4.045 10.242 1.00 0.00 H new ATOM 0 HG21 ILE A 6 3.958 -2.797 10.838 1.00 0.00 H new ATOM 0 HG22 ILE A 6 3.888 -1.619 12.170 1.00 0.00 H new ATOM 0 HG23 ILE A 6 4.032 -3.357 12.526 1.00 0.00 H new ATOM 0 HD11 ILE A 6 2.172 -6.164 11.356 1.00 0.00 H new ATOM 0 HD12 ILE A 6 3.537 -5.022 11.379 1.00 0.00 H new ATOM 0 HD13 ILE A 6 2.563 -5.274 12.847 1.00 0.00 H new ATOM 109 N LYS A 7 2.081 -0.152 13.303 1.00 0.00 N ATOM 110 CA LYS A 7 2.630 1.080 13.844 1.00 0.00 C ATOM 111 C LYS A 7 1.804 2.265 13.339 1.00 0.00 C ATOM 112 O LYS A 7 1.192 2.192 12.275 1.00 0.00 O ATOM 113 CB LYS A 7 4.122 1.189 13.523 1.00 0.00 C ATOM 114 CG LYS A 7 4.971 0.659 14.680 1.00 0.00 C ATOM 115 CD LYS A 7 6.243 1.492 14.853 1.00 0.00 C ATOM 116 CE LYS A 7 6.000 2.673 15.794 1.00 0.00 C ATOM 117 NZ LYS A 7 7.198 2.927 16.625 1.00 0.00 N ATOM 0 H LYS A 7 1.655 -0.060 12.381 1.00 0.00 H new ATOM 0 HA LYS A 7 2.561 1.083 14.932 1.00 0.00 H new ATOM 0 HB2 LYS A 7 4.345 0.627 12.616 1.00 0.00 H new ATOM 0 HB3 LYS A 7 4.380 2.229 13.324 1.00 0.00 H new ATOM 0 HG2 LYS A 7 4.390 0.680 15.602 1.00 0.00 H new ATOM 0 HG3 LYS A 7 5.236 -0.382 14.494 1.00 0.00 H new ATOM 0 HD2 LYS A 7 7.042 0.865 15.249 1.00 0.00 H new ATOM 0 HD3 LYS A 7 6.577 1.858 13.882 1.00 0.00 H new ATOM 0 HE2 LYS A 7 5.756 3.563 15.215 1.00 0.00 H new ATOM 0 HE3 LYS A 7 5.143 2.465 16.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 7.017 3.732 17.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 7.413 2.082 17.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 8.007 3.146 16.010 1.00 0.00 H new ATOM 131 N ASP A 8 1.814 3.331 14.127 1.00 0.00 N ATOM 132 CA ASP A 8 1.074 4.530 13.773 1.00 0.00 C ATOM 133 C ASP A 8 2.031 5.723 13.739 1.00 0.00 C ATOM 134 O ASP A 8 2.576 6.117 14.769 1.00 0.00 O ATOM 135 CB ASP A 8 -0.016 4.828 14.804 1.00 0.00 C ATOM 136 CG ASP A 8 -0.453 6.293 14.878 1.00 0.00 C ATOM 137 OD1 ASP A 8 -0.383 6.960 13.823 1.00 0.00 O ATOM 138 OD2 ASP A 8 -0.848 6.712 15.987 1.00 0.00 O ATOM 0 H ASP A 8 2.323 3.389 15.009 1.00 0.00 H new ATOM 0 HA ASP A 8 0.614 4.367 12.798 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -0.888 4.215 14.576 1.00 0.00 H new ATOM 0 HB3 ASP A 8 0.341 4.521 15.787 1.00 0.00 H new ATOM 143 N LYS A 9 2.208 6.265 12.542 1.00 0.00 N ATOM 144 CA LYS A 9 3.090 7.405 12.360 1.00 0.00 C ATOM 145 C LYS A 9 2.250 8.674 12.199 1.00 0.00 C ATOM 146 O LYS A 9 1.160 8.633 11.631 1.00 0.00 O ATOM 147 CB LYS A 9 4.055 7.155 11.200 1.00 0.00 C ATOM 148 CG LYS A 9 4.686 8.464 10.720 1.00 0.00 C ATOM 149 CD LYS A 9 6.132 8.243 10.271 1.00 0.00 C ATOM 150 CE LYS A 9 6.550 9.290 9.236 1.00 0.00 C ATOM 151 NZ LYS A 9 7.841 9.907 9.615 1.00 0.00 N ATOM 0 H LYS A 9 1.755 5.935 11.689 1.00 0.00 H new ATOM 0 HA LYS A 9 3.716 7.547 13.241 1.00 0.00 H new ATOM 0 HB2 LYS A 9 4.837 6.464 11.515 1.00 0.00 H new ATOM 0 HB3 LYS A 9 3.523 6.680 10.376 1.00 0.00 H new ATOM 0 HG2 LYS A 9 4.103 8.871 9.894 1.00 0.00 H new ATOM 0 HG3 LYS A 9 4.659 9.201 11.523 1.00 0.00 H new ATOM 0 HD2 LYS A 9 6.796 8.294 11.134 1.00 0.00 H new ATOM 0 HD3 LYS A 9 6.236 7.245 9.846 1.00 0.00 H new ATOM 0 HE2 LYS A 9 6.637 8.825 8.254 1.00 0.00 H new ATOM 0 HE3 LYS A 9 5.782 10.059 9.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 8.110 10.615 8.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 7.746 10.368 10.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 8.575 9.172 9.667 1.00 0.00 H new ATOM 165 N LYS A 10 2.789 9.771 12.711 1.00 0.00 N ATOM 166 CA LYS A 10 2.103 11.049 12.631 1.00 0.00 C ATOM 167 C LYS A 10 2.843 11.960 11.649 1.00 0.00 C ATOM 168 O LYS A 10 4.062 11.870 11.512 1.00 0.00 O ATOM 169 CB LYS A 10 1.935 11.655 14.025 1.00 0.00 C ATOM 170 CG LYS A 10 0.467 11.978 14.310 1.00 0.00 C ATOM 171 CD LYS A 10 0.340 13.002 15.440 1.00 0.00 C ATOM 172 CE LYS A 10 -0.117 12.333 16.738 1.00 0.00 C ATOM 173 NZ LYS A 10 0.923 12.465 17.783 1.00 0.00 N ATOM 0 H LYS A 10 3.693 9.801 13.183 1.00 0.00 H new ATOM 0 HA LYS A 10 1.093 10.916 12.243 1.00 0.00 H new ATOM 0 HB2 LYS A 10 2.310 10.959 14.775 1.00 0.00 H new ATOM 0 HB3 LYS A 10 2.533 12.563 14.105 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -0.005 12.366 13.408 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -0.064 11.065 14.580 1.00 0.00 H new ATOM 0 HD2 LYS A 10 1.299 13.494 15.599 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -0.372 13.776 15.155 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -1.046 12.788 17.081 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -0.327 11.279 16.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 0.597 12.006 18.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 1.800 12.010 17.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 1.104 13.472 17.968 1.00 0.00 H new ATOM 187 N ASN A 11 2.074 12.816 10.991 1.00 0.00 N ATOM 188 CA ASN A 11 2.642 13.742 10.026 1.00 0.00 C ATOM 189 C ASN A 11 1.771 14.998 9.958 1.00 0.00 C ATOM 190 O ASN A 11 0.772 15.027 9.241 1.00 0.00 O ATOM 191 CB ASN A 11 2.688 13.122 8.629 1.00 0.00 C ATOM 192 CG ASN A 11 3.602 13.926 7.702 1.00 0.00 C ATOM 193 OD1 ASN A 11 4.263 14.868 8.105 1.00 0.00 O ATOM 194 ND2 ASN A 11 3.601 13.503 6.441 1.00 0.00 N ATOM 0 H ASN A 11 1.063 12.887 11.107 1.00 0.00 H new ATOM 0 HA ASN A 11 3.655 13.984 10.346 1.00 0.00 H new ATOM 0 HB2 ASN A 11 3.045 12.094 8.695 1.00 0.00 H new ATOM 0 HB3 ASN A 11 1.682 13.084 8.211 1.00 0.00 H new ATOM 0 HD21 ASN A 11 4.178 13.975 5.744 1.00 0.00 H new ATOM 0 HD22 ASN A 11 3.023 12.707 6.171 1.00 0.00 H new ATOM 201 N PRO A 12 2.192 16.032 10.734 1.00 0.00 N ATOM 202 CA PRO A 12 1.461 17.288 10.769 1.00 0.00 C ATOM 203 C PRO A 12 1.705 18.099 9.495 1.00 0.00 C ATOM 204 O PRO A 12 0.967 19.039 9.202 1.00 0.00 O ATOM 205 CB PRO A 12 1.949 17.993 12.024 1.00 0.00 C ATOM 206 CG PRO A 12 3.263 17.324 12.394 1.00 0.00 C ATOM 207 CD PRO A 12 3.370 16.034 11.596 1.00 0.00 C ATOM 0 HA PRO A 12 0.381 17.145 10.803 1.00 0.00 H new ATOM 0 HB2 PRO A 12 2.091 19.059 11.843 1.00 0.00 H new ATOM 0 HB3 PRO A 12 1.223 17.900 12.831 1.00 0.00 H new ATOM 0 HG2 PRO A 12 4.103 17.982 12.170 1.00 0.00 H new ATOM 0 HG3 PRO A 12 3.297 17.115 13.463 1.00 0.00 H new ATOM 0 HD2 PRO A 12 4.289 16.006 11.011 1.00 0.00 H new ATOM 0 HD3 PRO A 12 3.383 15.163 12.251 1.00 0.00 H new ATOM 215 N LEU A 13 2.743 17.707 8.771 1.00 0.00 N ATOM 216 CA LEU A 13 3.093 18.386 7.535 1.00 0.00 C ATOM 217 C LEU A 13 1.977 18.177 6.510 1.00 0.00 C ATOM 218 O LEU A 13 1.329 19.135 6.089 1.00 0.00 O ATOM 219 CB LEU A 13 4.470 17.932 7.046 1.00 0.00 C ATOM 220 CG LEU A 13 5.613 18.050 8.056 1.00 0.00 C ATOM 221 CD1 LEU A 13 6.878 17.367 7.534 1.00 0.00 C ATOM 222 CD2 LEU A 13 5.864 19.511 8.432 1.00 0.00 C ATOM 0 H LEU A 13 3.353 16.927 9.017 1.00 0.00 H new ATOM 0 HA LEU A 13 3.177 19.460 7.701 1.00 0.00 H new ATOM 0 HB2 LEU A 13 4.397 16.891 6.730 1.00 0.00 H new ATOM 0 HB3 LEU A 13 4.730 18.515 6.163 1.00 0.00 H new ATOM 0 HG LEU A 13 5.319 17.529 8.967 1.00 0.00 H new ATOM 0 HD11 LEU A 13 7.675 17.465 8.271 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.675 16.311 7.358 1.00 0.00 H new ATOM 0 HD13 LEU A 13 7.187 17.838 6.601 1.00 0.00 H new ATOM 0 HD21 LEU A 13 6.681 19.566 9.151 1.00 0.00 H new ATOM 0 HD22 LEU A 13 6.128 20.076 7.538 1.00 0.00 H new ATOM 0 HD23 LEU A 13 4.962 19.933 8.875 1.00 0.00 H new ATOM 234 N LEU A 14 1.785 16.920 6.138 1.00 0.00 N ATOM 235 CA LEU A 14 0.759 16.574 5.170 1.00 0.00 C ATOM 236 C LEU A 14 -0.605 16.560 5.863 1.00 0.00 C ATOM 237 O LEU A 14 -1.635 16.396 5.211 1.00 0.00 O ATOM 238 CB LEU A 14 1.105 15.260 4.468 1.00 0.00 C ATOM 239 CG LEU A 14 2.520 15.159 3.895 1.00 0.00 C ATOM 240 CD1 LEU A 14 2.839 13.723 3.472 1.00 0.00 C ATOM 241 CD2 LEU A 14 2.720 16.152 2.748 1.00 0.00 C ATOM 0 H LEU A 14 2.323 16.128 6.490 1.00 0.00 H new ATOM 0 HA LEU A 14 0.710 17.326 4.382 1.00 0.00 H new ATOM 0 HB2 LEU A 14 0.962 14.444 5.176 1.00 0.00 H new ATOM 0 HB3 LEU A 14 0.394 15.106 3.656 1.00 0.00 H new ATOM 0 HG LEU A 14 3.226 15.428 4.680 1.00 0.00 H new ATOM 0 HD11 LEU A 14 3.850 13.679 3.068 1.00 0.00 H new ATOM 0 HD12 LEU A 14 2.764 13.064 4.337 1.00 0.00 H new ATOM 0 HD13 LEU A 14 2.130 13.402 2.709 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.734 16.059 2.359 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.005 15.938 1.953 1.00 0.00 H new ATOM 0 HD23 LEU A 14 2.563 17.167 3.114 1.00 0.00 H new ATOM 253 N ASN A 15 -0.568 16.734 7.176 1.00 0.00 N ATOM 254 CA ASN A 15 -1.789 16.743 7.964 1.00 0.00 C ATOM 255 C ASN A 15 -2.470 15.377 7.858 1.00 0.00 C ATOM 256 O ASN A 15 -3.696 15.286 7.895 1.00 0.00 O ATOM 257 CB ASN A 15 -2.768 17.800 7.451 1.00 0.00 C ATOM 258 CG ASN A 15 -2.625 19.106 8.235 1.00 0.00 C ATOM 259 OD1 ASN A 15 -2.147 20.112 7.735 1.00 0.00 O ATOM 260 ND2 ASN A 15 -3.063 19.036 9.489 1.00 0.00 N ATOM 0 H ASN A 15 0.288 16.870 7.714 1.00 0.00 H new ATOM 0 HA ASN A 15 -1.522 16.970 8.996 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -2.587 17.985 6.392 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -3.789 17.429 7.539 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -3.010 19.855 10.094 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -3.452 18.163 9.845 1.00 0.00 H new ATOM 267 N ARG A 16 -1.644 14.348 7.729 1.00 0.00 N ATOM 268 CA ARG A 16 -2.151 12.991 7.618 1.00 0.00 C ATOM 269 C ARG A 16 -1.529 12.102 8.695 1.00 0.00 C ATOM 270 O ARG A 16 -0.798 12.585 9.559 1.00 0.00 O ATOM 271 CB ARG A 16 -1.846 12.401 6.240 1.00 0.00 C ATOM 272 CG ARG A 16 -0.344 12.168 6.063 1.00 0.00 C ATOM 273 CD ARG A 16 0.010 11.963 4.589 1.00 0.00 C ATOM 274 NE ARG A 16 1.258 11.177 4.473 1.00 0.00 N ATOM 275 CZ ARG A 16 1.831 10.844 3.308 1.00 0.00 C ATOM 276 NH1 ARG A 16 1.271 11.227 2.152 1.00 0.00 N ATOM 277 NH2 ARG A 16 2.964 10.128 3.298 1.00 0.00 N ATOM 0 H ARG A 16 -0.628 14.427 7.699 1.00 0.00 H new ATOM 0 HA ARG A 16 -3.232 13.029 7.754 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -2.381 11.459 6.117 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -2.207 13.076 5.464 1.00 0.00 H new ATOM 0 HG2 ARG A 16 0.209 13.020 6.458 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -0.038 11.295 6.639 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -0.803 11.446 4.080 1.00 0.00 H new ATOM 0 HD3 ARG A 16 0.132 12.929 4.098 1.00 0.00 H new ATOM 0 HE ARG A 16 1.711 10.869 5.334 1.00 0.00 H new ATOM 0 HH11 ARG A 16 0.409 11.772 2.159 1.00 0.00 H new ATOM 0 HH12 ARG A 16 1.707 10.974 1.265 1.00 0.00 H new ATOM 0 HH21 ARG A 16 3.391 9.836 4.177 1.00 0.00 H new ATOM 0 HH22 ARG A 16 3.400 9.875 2.411 1.00 0.00 H new ATOM 291 N ARG A 17 -1.841 10.817 8.610 1.00 0.00 N ATOM 292 CA ARG A 17 -1.321 9.855 9.568 1.00 0.00 C ATOM 293 C ARG A 17 -1.078 8.507 8.887 1.00 0.00 C ATOM 294 O ARG A 17 -2.006 7.899 8.356 1.00 0.00 O ATOM 295 CB ARG A 17 -2.291 9.661 10.735 1.00 0.00 C ATOM 296 CG ARG A 17 -1.558 9.745 12.076 1.00 0.00 C ATOM 297 CD ARG A 17 -2.548 9.895 13.233 1.00 0.00 C ATOM 298 NE ARG A 17 -2.652 8.621 13.978 1.00 0.00 N ATOM 299 CZ ARG A 17 -3.215 8.502 15.189 1.00 0.00 C ATOM 300 NH1 ARG A 17 -3.727 9.580 15.798 1.00 0.00 N ATOM 301 NH2 ARG A 17 -3.265 7.306 15.790 1.00 0.00 N ATOM 0 H ARG A 17 -2.447 10.419 7.893 1.00 0.00 H new ATOM 0 HA ARG A 17 -0.380 10.246 9.954 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -3.071 10.421 10.695 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -2.784 8.693 10.646 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -0.955 8.848 12.222 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -0.872 10.592 12.067 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -2.221 10.691 13.902 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -3.527 10.183 12.850 1.00 0.00 H new ATOM 0 HE ARG A 17 -2.272 7.780 13.543 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -3.688 10.491 15.340 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -4.155 9.490 16.719 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -2.875 6.486 15.326 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -3.693 7.216 16.711 1.00 0.00 H new ATOM 315 N GLU A 18 0.176 8.079 8.924 1.00 0.00 N ATOM 316 CA GLU A 18 0.553 6.814 8.317 1.00 0.00 C ATOM 317 C GLU A 18 0.419 5.677 9.332 1.00 0.00 C ATOM 318 O GLU A 18 1.199 5.592 10.280 1.00 0.00 O ATOM 319 CB GLU A 18 1.973 6.879 7.750 1.00 0.00 C ATOM 320 CG GLU A 18 2.161 8.127 6.885 1.00 0.00 C ATOM 321 CD GLU A 18 1.955 7.803 5.404 1.00 0.00 C ATOM 322 OE1 GLU A 18 2.474 6.749 4.976 1.00 0.00 O ATOM 323 OE2 GLU A 18 1.283 8.615 4.733 1.00 0.00 O ATOM 0 H GLU A 18 0.943 8.586 9.365 1.00 0.00 H new ATOM 0 HA GLU A 18 -0.125 6.615 7.487 1.00 0.00 H new ATOM 0 HB2 GLU A 18 2.695 6.886 8.567 1.00 0.00 H new ATOM 0 HB3 GLU A 18 2.173 5.987 7.156 1.00 0.00 H new ATOM 0 HG2 GLU A 18 1.455 8.898 7.194 1.00 0.00 H new ATOM 0 HG3 GLU A 18 3.162 8.532 7.037 1.00 0.00 H new ATOM 330 N LEU A 19 -0.575 4.833 9.100 1.00 0.00 N ATOM 331 CA LEU A 19 -0.820 3.705 9.983 1.00 0.00 C ATOM 332 C LEU A 19 -0.570 2.402 9.221 1.00 0.00 C ATOM 333 O LEU A 19 -1.031 2.242 8.092 1.00 0.00 O ATOM 334 CB LEU A 19 -2.218 3.800 10.597 1.00 0.00 C ATOM 335 CG LEU A 19 -2.643 5.185 11.089 1.00 0.00 C ATOM 336 CD1 LEU A 19 -3.874 5.683 10.330 1.00 0.00 C ATOM 337 CD2 LEU A 19 -2.863 5.187 12.603 1.00 0.00 C ATOM 0 H LEU A 19 -1.220 4.907 8.314 1.00 0.00 H new ATOM 0 HA LEU A 19 -0.126 3.721 10.823 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -2.942 3.462 9.856 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -2.272 3.106 11.436 1.00 0.00 H new ATOM 0 HG LEU A 19 -1.833 5.884 10.881 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -4.155 6.669 10.699 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -3.645 5.746 9.266 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -4.701 4.989 10.483 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -3.164 6.184 12.926 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -3.645 4.471 12.858 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -1.937 4.907 13.106 1.00 0.00 H new ATOM 349 N ASP A 20 0.158 1.505 9.869 1.00 0.00 N ATOM 350 CA ASP A 20 0.474 0.221 9.266 1.00 0.00 C ATOM 351 C ASP A 20 -0.234 -0.890 10.043 1.00 0.00 C ATOM 352 O ASP A 20 -0.272 -0.866 11.273 1.00 0.00 O ATOM 353 CB ASP A 20 1.979 -0.053 9.313 1.00 0.00 C ATOM 354 CG ASP A 20 2.752 0.369 8.063 1.00 0.00 C ATOM 355 OD1 ASP A 20 2.103 0.462 6.998 1.00 0.00 O ATOM 356 OD2 ASP A 20 3.975 0.588 8.199 1.00 0.00 O ATOM 0 H ASP A 20 0.538 1.642 10.806 1.00 0.00 H new ATOM 0 HA ASP A 20 0.144 0.245 8.227 1.00 0.00 H new ATOM 0 HB2 ASP A 20 2.401 0.465 10.175 1.00 0.00 H new ATOM 0 HB3 ASP A 20 2.134 -1.120 9.475 1.00 0.00 H new ATOM 361 N PHE A 21 -0.777 -1.838 9.294 1.00 0.00 N ATOM 362 CA PHE A 21 -1.482 -2.957 9.897 1.00 0.00 C ATOM 363 C PHE A 21 -1.435 -4.188 8.990 1.00 0.00 C ATOM 364 O PHE A 21 -0.975 -4.108 7.852 1.00 0.00 O ATOM 365 CB PHE A 21 -2.939 -2.525 10.075 1.00 0.00 C ATOM 366 CG PHE A 21 -3.638 -2.142 8.768 1.00 0.00 C ATOM 367 CD1 PHE A 21 -4.229 -3.101 8.007 1.00 0.00 C ATOM 368 CD2 PHE A 21 -3.667 -0.842 8.368 1.00 0.00 C ATOM 369 CE1 PHE A 21 -4.878 -2.746 6.795 1.00 0.00 C ATOM 370 CE2 PHE A 21 -4.316 -0.487 7.156 1.00 0.00 C ATOM 371 CZ PHE A 21 -4.908 -1.447 6.395 1.00 0.00 C ATOM 0 H PHE A 21 -0.743 -1.855 8.275 1.00 0.00 H new ATOM 0 HA PHE A 21 -1.017 -3.221 10.847 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -3.493 -3.336 10.547 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -2.975 -1.675 10.757 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -4.205 -4.133 8.324 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -3.197 -0.080 8.972 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -5.348 -3.508 6.191 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -4.340 0.545 6.838 1.00 0.00 H new ATOM 0 HZ PHE A 21 -5.402 -1.177 5.473 1.00 0.00 H new ATOM 381 N ILE A 22 -1.915 -5.299 9.529 1.00 0.00 N ATOM 382 CA ILE A 22 -1.934 -6.546 8.782 1.00 0.00 C ATOM 383 C ILE A 22 -3.332 -7.162 8.861 1.00 0.00 C ATOM 384 O ILE A 22 -3.882 -7.324 9.949 1.00 0.00 O ATOM 385 CB ILE A 22 -0.822 -7.478 9.268 1.00 0.00 C ATOM 386 CG1 ILE A 22 0.536 -6.775 9.235 1.00 0.00 C ATOM 387 CG2 ILE A 22 -0.812 -8.782 8.469 1.00 0.00 C ATOM 388 CD1 ILE A 22 1.063 -6.666 7.803 1.00 0.00 C ATOM 0 H ILE A 22 -2.294 -5.362 10.474 1.00 0.00 H new ATOM 0 HA ILE A 22 -1.726 -6.362 7.728 1.00 0.00 H new ATOM 0 HB ILE A 22 -1.024 -7.739 10.307 1.00 0.00 H new ATOM 0 HG12 ILE A 22 0.445 -5.779 9.669 1.00 0.00 H new ATOM 0 HG13 ILE A 22 1.250 -7.326 9.848 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -0.012 -9.426 8.834 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -1.770 -9.289 8.588 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -0.647 -8.561 7.414 1.00 0.00 H new ATOM 0 HD11 ILE A 22 2.030 -6.162 7.808 1.00 0.00 H new ATOM 0 HD12 ILE A 22 1.176 -7.664 7.380 1.00 0.00 H new ATOM 0 HD13 ILE A 22 0.359 -6.094 7.199 1.00 0.00 H new ATOM 400 N VAL A 23 -3.867 -7.489 7.694 1.00 0.00 N ATOM 401 CA VAL A 23 -5.190 -8.084 7.618 1.00 0.00 C ATOM 402 C VAL A 23 -5.055 -9.589 7.380 1.00 0.00 C ATOM 403 O VAL A 23 -4.567 -10.015 6.334 1.00 0.00 O ATOM 404 CB VAL A 23 -6.019 -7.380 6.540 1.00 0.00 C ATOM 405 CG1 VAL A 23 -7.480 -7.831 6.592 1.00 0.00 C ATOM 406 CG2 VAL A 23 -5.908 -5.860 6.669 1.00 0.00 C ATOM 0 H VAL A 23 -3.408 -7.353 6.793 1.00 0.00 H new ATOM 0 HA VAL A 23 -5.724 -7.950 8.559 1.00 0.00 H new ATOM 0 HB VAL A 23 -5.616 -7.663 5.568 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -8.047 -7.316 5.817 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -7.535 -8.907 6.428 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -7.900 -7.591 7.569 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -6.506 -5.384 5.892 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -6.273 -5.550 7.648 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -4.866 -5.561 6.559 1.00 0.00 H new ATOM 416 N LYS A 24 -5.496 -10.354 8.368 1.00 0.00 N ATOM 417 CA LYS A 24 -5.430 -11.802 8.279 1.00 0.00 C ATOM 418 C LYS A 24 -6.850 -12.370 8.216 1.00 0.00 C ATOM 419 O LYS A 24 -7.773 -11.810 8.806 1.00 0.00 O ATOM 420 CB LYS A 24 -4.591 -12.372 9.425 1.00 0.00 C ATOM 421 CG LYS A 24 -3.154 -12.638 8.972 1.00 0.00 C ATOM 422 CD LYS A 24 -2.181 -12.545 10.149 1.00 0.00 C ATOM 423 CE LYS A 24 -0.831 -13.172 9.796 1.00 0.00 C ATOM 424 NZ LYS A 24 -0.801 -14.596 10.197 1.00 0.00 N ATOM 0 H LYS A 24 -5.900 -9.998 9.234 1.00 0.00 H new ATOM 0 HA LYS A 24 -4.923 -12.104 7.362 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -4.589 -11.673 10.262 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -5.040 -13.298 9.784 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -3.089 -13.627 8.519 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -2.872 -11.917 8.205 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -2.039 -11.500 10.426 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -2.605 -13.051 11.017 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -0.652 -13.086 8.724 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -0.029 -12.630 10.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 0.122 -15.007 9.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -0.950 -14.671 11.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -1.554 -15.113 9.699 1.00 0.00 H new ATOM 438 N TYR A 25 -6.979 -13.475 7.496 1.00 0.00 N ATOM 439 CA TYR A 25 -8.271 -14.124 7.348 1.00 0.00 C ATOM 440 C TYR A 25 -8.104 -15.593 6.954 1.00 0.00 C ATOM 441 O TYR A 25 -7.049 -15.992 6.462 1.00 0.00 O ATOM 442 CB TYR A 25 -8.988 -13.384 6.218 1.00 0.00 C ATOM 443 CG TYR A 25 -8.081 -13.014 5.042 1.00 0.00 C ATOM 444 CD1 TYR A 25 -7.742 -13.969 4.105 1.00 0.00 C ATOM 445 CD2 TYR A 25 -7.603 -11.726 4.919 1.00 0.00 C ATOM 446 CE1 TYR A 25 -6.889 -13.621 2.999 1.00 0.00 C ATOM 447 CE2 TYR A 25 -6.749 -11.377 3.813 1.00 0.00 C ATOM 448 CZ TYR A 25 -6.434 -12.342 2.907 1.00 0.00 C ATOM 449 OH TYR A 25 -5.628 -12.013 1.862 1.00 0.00 O ATOM 0 H TYR A 25 -6.211 -13.937 7.009 1.00 0.00 H new ATOM 0 HA TYR A 25 -8.826 -14.093 8.286 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -9.805 -14.005 5.852 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -9.435 -12.474 6.619 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -8.117 -14.977 4.202 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -7.869 -10.979 5.652 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -6.616 -14.359 2.259 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -6.367 -10.372 3.705 1.00 0.00 H new ATOM 0 HH TYR A 25 -5.699 -11.052 1.684 1.00 0.00 H new ATOM 459 N GLU A 26 -9.160 -16.359 7.186 1.00 0.00 N ATOM 460 CA GLU A 26 -9.144 -17.775 6.861 1.00 0.00 C ATOM 461 C GLU A 26 -9.928 -18.033 5.573 1.00 0.00 C ATOM 462 O GLU A 26 -10.991 -18.651 5.603 1.00 0.00 O ATOM 463 CB GLU A 26 -9.698 -18.609 8.018 1.00 0.00 C ATOM 464 CG GLU A 26 -8.581 -19.035 8.972 1.00 0.00 C ATOM 465 CD GLU A 26 -9.147 -19.421 10.340 1.00 0.00 C ATOM 466 OE1 GLU A 26 -9.477 -18.488 11.103 1.00 0.00 O ATOM 467 OE2 GLU A 26 -9.236 -20.642 10.593 1.00 0.00 O ATOM 0 H GLU A 26 -10.033 -16.025 7.595 1.00 0.00 H new ATOM 0 HA GLU A 26 -8.110 -18.080 6.700 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -10.445 -18.031 8.562 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -10.202 -19.492 7.625 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -8.038 -19.879 8.548 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -7.866 -18.221 9.087 1.00 0.00 H new ATOM 474 N GLY A 27 -9.372 -17.548 4.472 1.00 0.00 N ATOM 475 CA GLY A 27 -10.006 -17.719 3.176 1.00 0.00 C ATOM 476 C GLY A 27 -10.590 -16.397 2.673 1.00 0.00 C ATOM 477 O GLY A 27 -10.733 -15.446 3.439 1.00 0.00 O ATOM 0 H GLY A 27 -8.490 -17.037 4.451 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -9.278 -18.096 2.458 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -10.797 -18.466 3.250 1.00 0.00 H new ATOM 481 N SER A 28 -10.910 -16.380 1.387 1.00 0.00 N ATOM 482 CA SER A 28 -11.475 -15.191 0.773 1.00 0.00 C ATOM 483 C SER A 28 -10.523 -14.007 0.952 1.00 0.00 C ATOM 484 O SER A 28 -9.657 -14.029 1.826 1.00 0.00 O ATOM 485 CB SER A 28 -12.847 -14.863 1.365 1.00 0.00 C ATOM 486 OG SER A 28 -13.307 -13.575 0.965 1.00 0.00 O ATOM 0 H SER A 28 -10.789 -17.171 0.754 1.00 0.00 H new ATOM 0 HA SER A 28 -11.606 -15.386 -0.291 1.00 0.00 H new ATOM 0 HB2 SER A 28 -13.567 -15.619 1.051 1.00 0.00 H new ATOM 0 HB3 SER A 28 -12.792 -14.907 2.453 1.00 0.00 H new ATOM 0 HG SER A 28 -14.186 -13.404 1.362 1.00 0.00 H new ATOM 492 N THR A 29 -10.715 -13.001 0.111 1.00 0.00 N ATOM 493 CA THR A 29 -9.884 -11.810 0.166 1.00 0.00 C ATOM 494 C THR A 29 -10.742 -10.573 0.435 1.00 0.00 C ATOM 495 O THR A 29 -11.633 -10.249 -0.349 1.00 0.00 O ATOM 496 CB THR A 29 -9.090 -11.728 -1.139 1.00 0.00 C ATOM 497 OG1 THR A 29 -7.994 -12.616 -0.936 1.00 0.00 O ATOM 498 CG2 THR A 29 -8.430 -10.361 -1.337 1.00 0.00 C ATOM 0 H THR A 29 -11.434 -12.986 -0.612 1.00 0.00 H new ATOM 0 HA THR A 29 -9.175 -11.860 0.992 1.00 0.00 H new ATOM 0 HB THR A 29 -9.751 -11.938 -1.980 1.00 0.00 H new ATOM 0 HG1 THR A 29 -7.428 -12.625 -1.736 1.00 0.00 H new ATOM 0 HG21 THR A 29 -7.879 -10.356 -2.278 1.00 0.00 H new ATOM 0 HG22 THR A 29 -9.197 -9.587 -1.361 1.00 0.00 H new ATOM 0 HG23 THR A 29 -7.743 -10.166 -0.513 1.00 0.00 H new ATOM 506 N PRO A 30 -10.437 -9.898 1.575 1.00 0.00 N ATOM 507 CA PRO A 30 -11.170 -8.704 1.957 1.00 0.00 C ATOM 508 C PRO A 30 -10.756 -7.508 1.098 1.00 0.00 C ATOM 509 O PRO A 30 -9.587 -7.370 0.741 1.00 0.00 O ATOM 510 CB PRO A 30 -10.863 -8.509 3.433 1.00 0.00 C ATOM 511 CG PRO A 30 -9.610 -9.323 3.709 1.00 0.00 C ATOM 512 CD PRO A 30 -9.389 -10.253 2.528 1.00 0.00 C ATOM 0 HA PRO A 30 -12.244 -8.801 1.796 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -10.703 -7.456 3.663 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -11.693 -8.848 4.053 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -8.750 -8.667 3.844 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -9.722 -9.895 4.630 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -8.398 -10.116 2.096 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -9.464 -11.298 2.828 1.00 0.00 H new ATOM 520 N SER A 31 -11.738 -6.673 0.789 1.00 0.00 N ATOM 521 CA SER A 31 -11.490 -5.493 -0.022 1.00 0.00 C ATOM 522 C SER A 31 -10.979 -4.351 0.858 1.00 0.00 C ATOM 523 O SER A 31 -10.924 -4.481 2.080 1.00 0.00 O ATOM 524 CB SER A 31 -12.754 -5.063 -0.769 1.00 0.00 C ATOM 525 OG SER A 31 -13.179 -6.045 -1.710 1.00 0.00 O ATOM 0 H SER A 31 -12.707 -6.791 1.086 1.00 0.00 H new ATOM 0 HA SER A 31 -10.729 -5.740 -0.762 1.00 0.00 H new ATOM 0 HB2 SER A 31 -13.554 -4.878 -0.052 1.00 0.00 H new ATOM 0 HB3 SER A 31 -12.567 -4.122 -1.287 1.00 0.00 H new ATOM 0 HG SER A 31 -13.989 -5.733 -2.164 1.00 0.00 H new ATOM 531 N ARG A 32 -10.618 -3.257 0.203 1.00 0.00 N ATOM 532 CA ARG A 32 -10.114 -2.093 0.911 1.00 0.00 C ATOM 533 C ARG A 32 -11.230 -1.446 1.732 1.00 0.00 C ATOM 534 O ARG A 32 -11.008 -1.029 2.868 1.00 0.00 O ATOM 535 CB ARG A 32 -9.543 -1.060 -0.064 1.00 0.00 C ATOM 536 CG ARG A 32 -8.158 -1.481 -0.559 1.00 0.00 C ATOM 537 CD ARG A 32 -8.264 -2.589 -1.610 1.00 0.00 C ATOM 538 NE ARG A 32 -6.968 -2.754 -2.304 1.00 0.00 N ATOM 539 CZ ARG A 32 -6.822 -3.363 -3.488 1.00 0.00 C ATOM 540 NH1 ARG A 32 -7.892 -3.869 -4.118 1.00 0.00 N ATOM 541 NH2 ARG A 32 -5.607 -3.468 -4.043 1.00 0.00 N ATOM 0 H ARG A 32 -10.665 -3.153 -0.811 1.00 0.00 H new ATOM 0 HA ARG A 32 -9.318 -2.429 1.575 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -10.217 -0.944 -0.913 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -9.478 -0.089 0.426 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -7.643 -0.620 -0.984 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -7.558 -1.829 0.282 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -8.553 -3.526 -1.134 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -9.044 -2.344 -2.331 1.00 0.00 H new ATOM 0 HE ARG A 32 -6.133 -2.381 -1.852 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -8.817 -3.790 -3.696 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -7.781 -4.333 -5.020 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -4.793 -3.084 -3.564 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -5.497 -3.932 -4.945 1.00 0.00 H new ATOM 555 N ASN A 33 -12.407 -1.382 1.126 1.00 0.00 N ATOM 556 CA ASN A 33 -13.559 -0.793 1.788 1.00 0.00 C ATOM 557 C ASN A 33 -13.876 -1.589 3.055 1.00 0.00 C ATOM 558 O ASN A 33 -14.205 -1.011 4.090 1.00 0.00 O ATOM 559 CB ASN A 33 -14.792 -0.832 0.884 1.00 0.00 C ATOM 560 CG ASN A 33 -14.953 -2.208 0.234 1.00 0.00 C ATOM 561 OD1 ASN A 33 -15.443 -3.152 0.832 1.00 0.00 O ATOM 562 ND2 ASN A 33 -14.515 -2.269 -1.020 1.00 0.00 N ATOM 0 H ASN A 33 -12.588 -1.728 0.184 1.00 0.00 H new ATOM 0 HA ASN A 33 -13.318 0.243 2.026 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -15.682 -0.595 1.467 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -14.705 -0.069 0.111 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -14.579 -3.144 -1.540 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -14.115 -1.441 -1.461 1.00 0.00 H new ATOM 569 N ASP A 34 -13.766 -2.904 2.933 1.00 0.00 N ATOM 570 CA ASP A 34 -14.037 -3.785 4.056 1.00 0.00 C ATOM 571 C ASP A 34 -12.987 -3.556 5.144 1.00 0.00 C ATOM 572 O ASP A 34 -13.328 -3.356 6.309 1.00 0.00 O ATOM 573 CB ASP A 34 -13.967 -5.254 3.633 1.00 0.00 C ATOM 574 CG ASP A 34 -15.286 -5.847 3.132 1.00 0.00 C ATOM 575 OD1 ASP A 34 -15.856 -5.249 2.194 1.00 0.00 O ATOM 576 OD2 ASP A 34 -15.693 -6.884 3.699 1.00 0.00 O ATOM 0 H ASP A 34 -13.493 -3.380 2.073 1.00 0.00 H new ATOM 0 HA ASP A 34 -15.039 -3.563 4.424 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -13.219 -5.355 2.847 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -13.620 -5.844 4.481 1.00 0.00 H new ATOM 581 N VAL A 35 -11.730 -3.591 4.725 1.00 0.00 N ATOM 582 CA VAL A 35 -10.627 -3.390 5.650 1.00 0.00 C ATOM 583 C VAL A 35 -10.722 -1.986 6.251 1.00 0.00 C ATOM 584 O VAL A 35 -10.444 -1.793 7.433 1.00 0.00 O ATOM 585 CB VAL A 35 -9.296 -3.649 4.941 1.00 0.00 C ATOM 586 CG1 VAL A 35 -8.120 -3.156 5.787 1.00 0.00 C ATOM 587 CG2 VAL A 35 -9.139 -5.130 4.594 1.00 0.00 C ATOM 0 H VAL A 35 -11.451 -3.755 3.758 1.00 0.00 H new ATOM 0 HA VAL A 35 -10.684 -4.101 6.474 1.00 0.00 H new ATOM 0 HB VAL A 35 -9.298 -3.085 4.008 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -7.186 -3.352 5.261 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -8.221 -2.085 5.961 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -8.115 -3.680 6.743 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -8.185 -5.287 4.091 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -9.169 -5.723 5.508 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -9.951 -5.437 3.935 1.00 0.00 H new ATOM 597 N ARG A 36 -11.114 -1.041 5.408 1.00 0.00 N ATOM 598 CA ARG A 36 -11.249 0.339 5.842 1.00 0.00 C ATOM 599 C ARG A 36 -12.263 0.441 6.982 1.00 0.00 C ATOM 600 O ARG A 36 -11.980 1.041 8.018 1.00 0.00 O ATOM 601 CB ARG A 36 -11.697 1.237 4.687 1.00 0.00 C ATOM 602 CG ARG A 36 -10.553 2.139 4.217 1.00 0.00 C ATOM 603 CD ARG A 36 -11.088 3.466 3.677 1.00 0.00 C ATOM 604 NE ARG A 36 -10.393 3.816 2.418 1.00 0.00 N ATOM 605 CZ ARG A 36 -10.682 4.894 1.675 1.00 0.00 C ATOM 606 NH1 ARG A 36 -11.653 5.733 2.061 1.00 0.00 N ATOM 607 NH2 ARG A 36 -10.000 5.133 0.547 1.00 0.00 N ATOM 0 H ARG A 36 -11.342 -1.204 4.427 1.00 0.00 H new ATOM 0 HA ARG A 36 -10.272 0.674 6.191 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -12.044 0.622 3.857 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -12.541 1.850 5.004 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -9.870 2.328 5.045 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -9.980 1.631 3.441 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -12.161 3.391 3.501 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -10.941 4.255 4.415 1.00 0.00 H new ATOM 0 HE ARG A 36 -9.648 3.199 2.096 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -12.172 5.552 2.920 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -11.873 6.553 1.496 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -9.261 4.495 0.253 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -10.220 5.953 -0.018 1.00 0.00 H new ATOM 621 N ASN A 37 -13.425 -0.153 6.753 1.00 0.00 N ATOM 622 CA ASN A 37 -14.483 -0.137 7.748 1.00 0.00 C ATOM 623 C ASN A 37 -13.943 -0.684 9.071 1.00 0.00 C ATOM 624 O ASN A 37 -14.242 -0.149 10.137 1.00 0.00 O ATOM 625 CB ASN A 37 -15.658 -1.017 7.318 1.00 0.00 C ATOM 626 CG ASN A 37 -16.825 -0.166 6.812 1.00 0.00 C ATOM 627 OD1 ASN A 37 -17.323 0.717 7.491 1.00 0.00 O ATOM 628 ND2 ASN A 37 -17.230 -0.479 5.585 1.00 0.00 N ATOM 0 H ASN A 37 -13.657 -0.649 5.892 1.00 0.00 H new ATOM 0 HA ASN A 37 -14.825 0.892 7.859 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -15.336 -1.702 6.534 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -15.986 -1.628 8.159 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -18.002 0.032 5.157 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -16.769 -1.230 5.072 1.00 0.00 H new ATOM 635 N LYS A 38 -13.155 -1.744 8.958 1.00 0.00 N ATOM 636 CA LYS A 38 -12.570 -2.369 10.132 1.00 0.00 C ATOM 637 C LYS A 38 -11.672 -1.359 10.848 1.00 0.00 C ATOM 638 O LYS A 38 -11.826 -1.127 12.046 1.00 0.00 O ATOM 639 CB LYS A 38 -11.853 -3.665 9.747 1.00 0.00 C ATOM 640 CG LYS A 38 -11.790 -4.630 10.933 1.00 0.00 C ATOM 641 CD LYS A 38 -12.136 -6.055 10.500 1.00 0.00 C ATOM 642 CE LYS A 38 -12.593 -6.896 11.694 1.00 0.00 C ATOM 643 NZ LYS A 38 -14.060 -7.088 11.661 1.00 0.00 N ATOM 0 H LYS A 38 -12.908 -2.185 8.072 1.00 0.00 H new ATOM 0 HA LYS A 38 -13.349 -2.660 10.837 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -12.373 -4.139 8.915 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -10.844 -3.438 9.404 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -10.791 -4.611 11.369 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -12.483 -4.304 11.709 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -12.923 -6.029 9.747 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -11.266 -6.519 10.036 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -12.093 -7.864 11.677 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -12.305 -6.405 12.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -14.354 -7.661 12.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -14.532 -6.162 11.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -14.327 -7.576 10.782 1.00 0.00 H new ATOM 657 N LEU A 39 -10.754 -0.786 10.084 1.00 0.00 N ATOM 658 CA LEU A 39 -9.831 0.194 10.631 1.00 0.00 C ATOM 659 C LEU A 39 -10.622 1.385 11.176 1.00 0.00 C ATOM 660 O LEU A 39 -10.459 1.765 12.335 1.00 0.00 O ATOM 661 CB LEU A 39 -8.779 0.580 9.589 1.00 0.00 C ATOM 662 CG LEU A 39 -7.321 0.490 10.043 1.00 0.00 C ATOM 663 CD1 LEU A 39 -6.835 -0.961 10.044 1.00 0.00 C ATOM 664 CD2 LEU A 39 -6.425 1.394 9.193 1.00 0.00 C ATOM 0 H LEU A 39 -10.629 -0.981 9.091 1.00 0.00 H new ATOM 0 HA LEU A 39 -9.277 -0.231 11.468 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -8.908 -0.061 8.717 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -8.975 1.602 9.265 1.00 0.00 H new ATOM 0 HG LEU A 39 -7.261 0.850 11.070 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -5.796 -0.996 10.371 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -7.450 -1.550 10.725 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -6.913 -1.372 9.037 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -5.394 1.311 9.537 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -6.485 1.088 8.149 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -6.757 2.428 9.287 1.00 0.00 H new ATOM 676 N ALA A 40 -11.461 1.941 10.315 1.00 0.00 N ATOM 677 CA ALA A 40 -12.278 3.080 10.696 1.00 0.00 C ATOM 678 C ALA A 40 -12.980 2.780 12.022 1.00 0.00 C ATOM 679 O ALA A 40 -13.130 3.664 12.863 1.00 0.00 O ATOM 680 CB ALA A 40 -13.267 3.398 9.572 1.00 0.00 C ATOM 0 H ALA A 40 -11.593 1.624 9.355 1.00 0.00 H new ATOM 0 HA ALA A 40 -11.657 3.964 10.845 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -13.880 4.253 9.858 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -12.718 3.634 8.660 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -13.908 2.534 9.396 1.00 0.00 H new ATOM 686 N ALA A 41 -13.391 1.528 12.166 1.00 0.00 N ATOM 687 CA ALA A 41 -14.073 1.100 13.376 1.00 0.00 C ATOM 688 C ALA A 41 -13.053 0.956 14.508 1.00 0.00 C ATOM 689 O ALA A 41 -13.346 1.282 15.657 1.00 0.00 O ATOM 690 CB ALA A 41 -14.828 -0.202 13.102 1.00 0.00 C ATOM 0 H ALA A 41 -13.265 0.797 11.466 1.00 0.00 H new ATOM 0 HA ALA A 41 -14.807 1.844 13.687 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -15.340 -0.524 14.009 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -15.560 -0.039 12.311 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -14.123 -0.973 12.790 1.00 0.00 H new ATOM 696 N MET A 42 -11.877 0.468 14.143 1.00 0.00 N ATOM 697 CA MET A 42 -10.812 0.277 15.113 1.00 0.00 C ATOM 698 C MET A 42 -10.292 1.620 15.627 1.00 0.00 C ATOM 699 O MET A 42 -10.136 1.810 16.833 1.00 0.00 O ATOM 700 CB MET A 42 -9.665 -0.502 14.466 1.00 0.00 C ATOM 701 CG MET A 42 -9.940 -2.007 14.493 1.00 0.00 C ATOM 702 SD MET A 42 -8.834 -2.850 13.375 1.00 0.00 S ATOM 703 CE MET A 42 -7.342 -2.849 14.356 1.00 0.00 C ATOM 0 H MET A 42 -11.638 0.199 13.189 1.00 0.00 H new ATOM 0 HA MET A 42 -11.212 -0.284 15.958 1.00 0.00 H new ATOM 0 HB2 MET A 42 -9.532 -0.172 13.436 1.00 0.00 H new ATOM 0 HB3 MET A 42 -8.734 -0.289 14.992 1.00 0.00 H new ATOM 0 HG2 MET A 42 -9.809 -2.391 15.505 1.00 0.00 H new ATOM 0 HG3 MET A 42 -10.974 -2.201 14.209 1.00 0.00 H new ATOM 0 HE1 MET A 42 -6.621 -2.157 13.921 1.00 0.00 H new ATOM 0 HE2 MET A 42 -7.576 -2.537 15.374 1.00 0.00 H new ATOM 0 HE3 MET A 42 -6.917 -3.853 14.373 1.00 0.00 H new ATOM 713 N LEU A 43 -10.036 2.519 14.687 1.00 0.00 N ATOM 714 CA LEU A 43 -9.536 3.839 15.030 1.00 0.00 C ATOM 715 C LEU A 43 -10.717 4.787 15.246 1.00 0.00 C ATOM 716 O LEU A 43 -10.527 5.985 15.449 1.00 0.00 O ATOM 717 CB LEU A 43 -8.542 4.326 13.974 1.00 0.00 C ATOM 718 CG LEU A 43 -7.868 3.239 13.134 1.00 0.00 C ATOM 719 CD1 LEU A 43 -6.663 3.799 12.376 1.00 0.00 C ATOM 720 CD2 LEU A 43 -7.493 2.033 13.998 1.00 0.00 C ATOM 0 H LEU A 43 -10.166 2.358 13.688 1.00 0.00 H new ATOM 0 HA LEU A 43 -8.980 3.804 15.967 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -9.063 5.007 13.301 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -7.765 4.904 14.474 1.00 0.00 H new ATOM 0 HG LEU A 43 -8.583 2.891 12.388 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -6.203 3.006 11.787 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -6.990 4.600 11.713 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -5.936 4.191 13.087 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -7.016 1.275 13.377 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -6.803 2.347 14.782 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -8.392 1.617 14.452 1.00 0.00 H new ATOM 732 N ASN A 44 -11.911 4.215 15.194 1.00 0.00 N ATOM 733 CA ASN A 44 -13.123 4.994 15.382 1.00 0.00 C ATOM 734 C ASN A 44 -13.013 6.299 14.591 1.00 0.00 C ATOM 735 O ASN A 44 -13.461 7.348 15.052 1.00 0.00 O ATOM 736 CB ASN A 44 -13.327 5.350 16.856 1.00 0.00 C ATOM 737 CG ASN A 44 -13.081 4.134 17.752 1.00 0.00 C ATOM 738 OD1 ASN A 44 -13.995 3.433 18.155 1.00 0.00 O ATOM 739 ND2 ASN A 44 -11.800 3.925 18.041 1.00 0.00 N ATOM 0 H ASN A 44 -12.065 3.221 15.024 1.00 0.00 H new ATOM 0 HA ASN A 44 -13.965 4.395 15.036 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -12.649 6.156 17.136 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -14.341 5.719 17.008 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -11.533 3.139 18.633 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -11.085 4.551 17.670 1.00 0.00 H new ATOM 746 N ALA A 45 -12.415 6.191 13.414 1.00 0.00 N ATOM 747 CA ALA A 45 -12.240 7.350 12.554 1.00 0.00 C ATOM 748 C ALA A 45 -13.164 7.224 11.341 1.00 0.00 C ATOM 749 O ALA A 45 -13.666 6.139 11.049 1.00 0.00 O ATOM 750 CB ALA A 45 -10.768 7.473 12.156 1.00 0.00 C ATOM 0 H ALA A 45 -12.045 5.319 13.035 1.00 0.00 H new ATOM 0 HA ALA A 45 -12.512 8.264 13.082 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -10.637 8.342 11.511 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -10.158 7.590 13.051 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -10.459 6.575 11.621 1.00 0.00 H new ATOM 756 N PRO A 46 -13.365 8.377 10.650 1.00 0.00 N ATOM 757 CA PRO A 46 -14.220 8.406 9.475 1.00 0.00 C ATOM 758 C PRO A 46 -13.522 7.767 8.273 1.00 0.00 C ATOM 759 O PRO A 46 -12.382 8.107 7.960 1.00 0.00 O ATOM 760 CB PRO A 46 -14.545 9.875 9.261 1.00 0.00 C ATOM 761 CG PRO A 46 -13.493 10.652 10.036 1.00 0.00 C ATOM 762 CD PRO A 46 -12.787 9.680 10.967 1.00 0.00 C ATOM 0 HA PRO A 46 -15.133 7.825 9.605 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -14.518 10.131 8.202 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -15.547 10.110 9.620 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -12.779 11.113 9.353 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -13.956 11.458 10.605 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -11.710 9.686 10.802 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -12.951 9.942 12.012 1.00 0.00 H new ATOM 770 N LEU A 47 -14.235 6.852 7.633 1.00 0.00 N ATOM 771 CA LEU A 47 -13.698 6.162 6.472 1.00 0.00 C ATOM 772 C LEU A 47 -13.212 7.193 5.451 1.00 0.00 C ATOM 773 O LEU A 47 -12.074 7.126 4.989 1.00 0.00 O ATOM 774 CB LEU A 47 -14.726 5.178 5.911 1.00 0.00 C ATOM 775 CG LEU A 47 -14.165 3.866 5.356 1.00 0.00 C ATOM 776 CD1 LEU A 47 -14.283 2.741 6.385 1.00 0.00 C ATOM 777 CD2 LEU A 47 -14.834 3.502 4.029 1.00 0.00 C ATOM 0 H LEU A 47 -15.180 6.572 7.896 1.00 0.00 H new ATOM 0 HA LEU A 47 -12.834 5.559 6.753 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -15.440 4.940 6.699 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -15.282 5.677 5.117 1.00 0.00 H new ATOM 0 HG LEU A 47 -13.103 4.007 5.153 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -13.877 1.820 5.966 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -13.724 3.008 7.282 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -15.332 2.591 6.642 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -14.418 2.566 3.656 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -15.907 3.386 4.182 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -14.655 4.294 3.302 1.00 0.00 H new ATOM 789 N GLU A 48 -14.100 8.122 5.128 1.00 0.00 N ATOM 790 CA GLU A 48 -13.776 9.166 4.170 1.00 0.00 C ATOM 791 C GLU A 48 -12.375 9.719 4.441 1.00 0.00 C ATOM 792 O GLU A 48 -11.537 9.763 3.542 1.00 0.00 O ATOM 793 CB GLU A 48 -14.821 10.282 4.201 1.00 0.00 C ATOM 794 CG GLU A 48 -15.050 10.780 5.630 1.00 0.00 C ATOM 795 CD GLU A 48 -16.349 11.582 5.730 1.00 0.00 C ATOM 796 OE1 GLU A 48 -16.644 12.309 4.757 1.00 0.00 O ATOM 797 OE2 GLU A 48 -17.018 11.449 6.778 1.00 0.00 O ATOM 0 H GLU A 48 -15.043 8.174 5.512 1.00 0.00 H new ATOM 0 HA GLU A 48 -13.787 8.731 3.171 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -14.493 11.110 3.572 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -15.760 9.917 3.784 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -15.089 9.931 6.313 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -14.210 11.401 5.941 1.00 0.00 H new ATOM 804 N LEU A 49 -12.164 10.126 5.684 1.00 0.00 N ATOM 805 CA LEU A 49 -10.880 10.674 6.084 1.00 0.00 C ATOM 806 C LEU A 49 -9.808 9.589 5.966 1.00 0.00 C ATOM 807 O LEU A 49 -8.636 9.890 5.743 1.00 0.00 O ATOM 808 CB LEU A 49 -10.973 11.297 7.479 1.00 0.00 C ATOM 809 CG LEU A 49 -11.911 12.498 7.616 1.00 0.00 C ATOM 810 CD1 LEU A 49 -11.677 13.228 8.940 1.00 0.00 C ATOM 811 CD2 LEU A 49 -11.781 13.435 6.413 1.00 0.00 C ATOM 0 H LEU A 49 -12.861 10.087 6.427 1.00 0.00 H new ATOM 0 HA LEU A 49 -10.589 11.485 5.417 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -11.297 10.526 8.178 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -9.973 11.605 7.785 1.00 0.00 H new ATOM 0 HG LEU A 49 -12.937 12.131 7.628 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -12.356 14.077 9.012 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -11.861 12.545 9.769 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -10.647 13.582 8.983 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -12.458 14.280 6.535 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -10.756 13.799 6.344 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -12.036 12.894 5.502 1.00 0.00 H new ATOM 823 N LEU A 50 -10.247 8.349 6.120 1.00 0.00 N ATOM 824 CA LEU A 50 -9.340 7.217 6.033 1.00 0.00 C ATOM 825 C LEU A 50 -9.123 6.855 4.562 1.00 0.00 C ATOM 826 O LEU A 50 -10.067 6.855 3.773 1.00 0.00 O ATOM 827 CB LEU A 50 -9.853 6.053 6.883 1.00 0.00 C ATOM 828 CG LEU A 50 -8.808 5.341 7.745 1.00 0.00 C ATOM 829 CD1 LEU A 50 -9.052 5.605 9.232 1.00 0.00 C ATOM 830 CD2 LEU A 50 -8.764 3.845 7.428 1.00 0.00 C ATOM 0 H LEU A 50 -11.219 8.103 6.305 1.00 0.00 H new ATOM 0 HA LEU A 50 -8.365 7.477 6.445 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -10.641 6.426 7.537 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -10.310 5.318 6.220 1.00 0.00 H new ATOM 0 HG LEU A 50 -7.828 5.751 7.502 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -8.296 5.088 9.822 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -8.994 6.676 9.426 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -10.041 5.240 9.509 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -8.013 3.362 8.054 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -9.740 3.402 7.625 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -8.507 3.703 6.378 1.00 0.00 H new ATOM 842 N VAL A 51 -7.874 6.556 4.238 1.00 0.00 N ATOM 843 CA VAL A 51 -7.520 6.193 2.876 1.00 0.00 C ATOM 844 C VAL A 51 -6.516 5.038 2.905 1.00 0.00 C ATOM 845 O VAL A 51 -5.818 4.843 3.899 1.00 0.00 O ATOM 846 CB VAL A 51 -6.999 7.420 2.126 1.00 0.00 C ATOM 847 CG1 VAL A 51 -7.194 7.263 0.616 1.00 0.00 C ATOM 848 CG2 VAL A 51 -7.667 8.699 2.635 1.00 0.00 C ATOM 0 H VAL A 51 -7.094 6.558 4.895 1.00 0.00 H new ATOM 0 HA VAL A 51 -8.399 5.846 2.332 1.00 0.00 H new ATOM 0 HB VAL A 51 -5.929 7.501 2.319 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -6.815 8.149 0.106 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -6.651 6.384 0.268 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -8.255 7.144 0.397 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -7.278 9.556 2.085 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -8.745 8.631 2.486 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -7.454 8.823 3.697 1.00 0.00 H new ATOM 858 N ILE A 52 -6.475 4.304 1.803 1.00 0.00 N ATOM 859 CA ILE A 52 -5.569 3.175 1.689 1.00 0.00 C ATOM 860 C ILE A 52 -4.573 3.438 0.558 1.00 0.00 C ATOM 861 O ILE A 52 -4.970 3.653 -0.586 1.00 0.00 O ATOM 862 CB ILE A 52 -6.354 1.872 1.527 1.00 0.00 C ATOM 863 CG1 ILE A 52 -7.495 1.789 2.542 1.00 0.00 C ATOM 864 CG2 ILE A 52 -5.425 0.658 1.609 1.00 0.00 C ATOM 865 CD1 ILE A 52 -7.025 1.140 3.845 1.00 0.00 C ATOM 0 H ILE A 52 -7.055 4.470 0.981 1.00 0.00 H new ATOM 0 HA ILE A 52 -4.989 3.058 2.604 1.00 0.00 H new ATOM 0 HB ILE A 52 -6.805 1.867 0.535 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -7.877 2.789 2.747 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -8.319 1.213 2.121 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -6.008 -0.255 1.491 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -4.679 0.717 0.817 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -4.926 0.647 2.578 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -7.856 1.094 4.549 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -6.666 0.131 3.640 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -6.217 1.732 4.276 1.00 0.00 H new ATOM 877 N GLN A 53 -3.297 3.411 0.917 1.00 0.00 N ATOM 878 CA GLN A 53 -2.242 3.644 -0.054 1.00 0.00 C ATOM 879 C GLN A 53 -2.220 2.522 -1.094 1.00 0.00 C ATOM 880 O GLN A 53 -2.267 2.783 -2.295 1.00 0.00 O ATOM 881 CB GLN A 53 -0.883 3.779 0.636 1.00 0.00 C ATOM 882 CG GLN A 53 0.258 3.697 -0.380 1.00 0.00 C ATOM 883 CD GLN A 53 1.598 4.050 0.270 1.00 0.00 C ATOM 884 OE1 GLN A 53 2.038 5.188 0.266 1.00 0.00 O ATOM 885 NE2 GLN A 53 2.219 3.015 0.827 1.00 0.00 N ATOM 0 H GLN A 53 -2.971 3.231 1.867 1.00 0.00 H new ATOM 0 HA GLN A 53 -2.448 4.584 -0.567 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -0.834 4.729 1.168 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -0.769 2.991 1.380 1.00 0.00 H new ATOM 0 HG2 GLN A 53 0.306 2.691 -0.798 1.00 0.00 H new ATOM 0 HG3 GLN A 53 0.061 4.377 -1.209 1.00 0.00 H new ATOM 0 HE21 GLN A 53 1.795 2.088 0.795 1.00 0.00 H new ATOM 0 HE22 GLN A 53 3.120 3.148 1.287 1.00 0.00 H new ATOM 894 N ARG A 54 -2.148 1.297 -0.594 1.00 0.00 N ATOM 895 CA ARG A 54 -2.120 0.134 -1.465 1.00 0.00 C ATOM 896 C ARG A 54 -1.923 -1.141 -0.642 1.00 0.00 C ATOM 897 O ARG A 54 -0.997 -1.228 0.163 1.00 0.00 O ATOM 898 CB ARG A 54 -0.994 0.245 -2.496 1.00 0.00 C ATOM 899 CG ARG A 54 -1.493 -0.126 -3.894 1.00 0.00 C ATOM 900 CD ARG A 54 -1.121 0.953 -4.913 1.00 0.00 C ATOM 901 NE ARG A 54 -0.811 0.329 -6.219 1.00 0.00 N ATOM 902 CZ ARG A 54 -0.734 1.004 -7.374 1.00 0.00 C ATOM 903 NH1 ARG A 54 -0.944 2.327 -7.393 1.00 0.00 N ATOM 904 NH2 ARG A 54 -0.446 0.356 -8.511 1.00 0.00 N ATOM 0 H ARG A 54 -2.108 1.085 0.403 1.00 0.00 H new ATOM 0 HA ARG A 54 -3.075 0.089 -1.989 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -0.602 1.262 -2.504 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -0.171 -0.412 -2.213 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -1.062 -1.081 -4.196 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -2.575 -0.256 -3.875 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -1.944 1.659 -5.024 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -0.260 1.520 -4.558 1.00 0.00 H new ATOM 0 HE ARG A 54 -0.646 -0.677 -6.241 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -1.163 2.821 -6.528 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -0.885 2.840 -8.273 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -0.285 -0.651 -8.497 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -0.387 0.870 -9.390 1.00 0.00 H new ATOM 918 N ILE A 55 -2.811 -2.098 -0.872 1.00 0.00 N ATOM 919 CA ILE A 55 -2.747 -3.364 -0.162 1.00 0.00 C ATOM 920 C ILE A 55 -1.878 -4.344 -0.953 1.00 0.00 C ATOM 921 O ILE A 55 -1.894 -4.340 -2.183 1.00 0.00 O ATOM 922 CB ILE A 55 -4.155 -3.886 0.130 1.00 0.00 C ATOM 923 CG1 ILE A 55 -4.735 -3.229 1.384 1.00 0.00 C ATOM 924 CG2 ILE A 55 -4.164 -5.413 0.226 1.00 0.00 C ATOM 925 CD1 ILE A 55 -6.246 -3.451 1.470 1.00 0.00 C ATOM 0 H ILE A 55 -3.578 -2.022 -1.540 1.00 0.00 H new ATOM 0 HA ILE A 55 -2.274 -3.232 0.811 1.00 0.00 H new ATOM 0 HB ILE A 55 -4.801 -3.612 -0.704 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -4.252 -3.640 2.271 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -4.521 -2.160 1.371 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -5.177 -5.759 0.434 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -3.822 -5.839 -0.717 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -3.500 -5.731 1.030 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -6.633 -2.974 2.370 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -6.728 -3.017 0.594 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -6.455 -4.520 1.507 1.00 0.00 H new ATOM 937 N LYS A 56 -1.141 -5.161 -0.215 1.00 0.00 N ATOM 938 CA LYS A 56 -0.268 -6.145 -0.832 1.00 0.00 C ATOM 939 C LYS A 56 -0.606 -7.534 -0.287 1.00 0.00 C ATOM 940 O LYS A 56 -0.398 -7.808 0.895 1.00 0.00 O ATOM 941 CB LYS A 56 1.199 -5.751 -0.646 1.00 0.00 C ATOM 942 CG LYS A 56 1.692 -4.902 -1.820 1.00 0.00 C ATOM 943 CD LYS A 56 2.545 -3.731 -1.330 1.00 0.00 C ATOM 944 CE LYS A 56 1.705 -2.459 -1.196 1.00 0.00 C ATOM 945 NZ LYS A 56 2.579 -1.273 -1.057 1.00 0.00 N ATOM 0 H LYS A 56 -1.130 -5.162 0.805 1.00 0.00 H new ATOM 0 HA LYS A 56 -0.431 -6.177 -1.909 1.00 0.00 H new ATOM 0 HB2 LYS A 56 1.315 -5.194 0.284 1.00 0.00 H new ATOM 0 HB3 LYS A 56 1.812 -6.648 -0.559 1.00 0.00 H new ATOM 0 HG2 LYS A 56 2.275 -5.521 -2.501 1.00 0.00 H new ATOM 0 HG3 LYS A 56 0.839 -4.524 -2.384 1.00 0.00 H new ATOM 0 HD2 LYS A 56 2.991 -3.979 -0.367 1.00 0.00 H new ATOM 0 HD3 LYS A 56 3.365 -3.558 -2.026 1.00 0.00 H new ATOM 0 HE2 LYS A 56 1.064 -2.345 -2.070 1.00 0.00 H new ATOM 0 HE3 LYS A 56 1.049 -2.539 -0.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 1.993 -0.419 -0.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 3.172 -1.377 -0.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 3.187 -1.189 -1.897 1.00 0.00 H new ATOM 959 N THR A 57 -1.120 -8.373 -1.173 1.00 0.00 N ATOM 960 CA THR A 57 -1.489 -9.727 -0.795 1.00 0.00 C ATOM 961 C THR A 57 -0.277 -10.656 -0.890 1.00 0.00 C ATOM 962 O THR A 57 0.429 -10.660 -1.897 1.00 0.00 O ATOM 963 CB THR A 57 -2.659 -10.163 -1.679 1.00 0.00 C ATOM 964 OG1 THR A 57 -3.462 -8.991 -1.795 1.00 0.00 O ATOM 965 CG2 THR A 57 -3.573 -11.174 -0.984 1.00 0.00 C ATOM 0 H THR A 57 -1.290 -8.142 -2.152 1.00 0.00 H new ATOM 0 HA THR A 57 -1.814 -9.773 0.244 1.00 0.00 H new ATOM 0 HB THR A 57 -2.274 -10.596 -2.602 1.00 0.00 H new ATOM 0 HG1 THR A 57 -4.243 -9.184 -2.355 1.00 0.00 H new ATOM 0 HG21 THR A 57 -4.387 -11.450 -1.655 1.00 0.00 H new ATOM 0 HG22 THR A 57 -3.000 -12.064 -0.723 1.00 0.00 H new ATOM 0 HG23 THR A 57 -3.985 -10.729 -0.078 1.00 0.00 H new ATOM 1050 N GLU A 63 -3.850 -13.870 4.021 1.00 0.00 N ATOM 1051 CA GLU A 63 -3.887 -12.550 4.625 1.00 0.00 C ATOM 1052 C GLU A 63 -3.440 -11.491 3.615 1.00 0.00 C ATOM 1053 O GLU A 63 -2.976 -11.824 2.525 1.00 0.00 O ATOM 1054 CB GLU A 63 -3.025 -12.500 5.888 1.00 0.00 C ATOM 1055 CG GLU A 63 -1.585 -12.921 5.586 1.00 0.00 C ATOM 1056 CD GLU A 63 -0.871 -11.864 4.741 1.00 0.00 C ATOM 1057 OE1 GLU A 63 -0.419 -10.866 5.343 1.00 0.00 O ATOM 1058 OE2 GLU A 63 -0.793 -12.078 3.512 1.00 0.00 O ATOM 0 HA GLU A 63 -4.915 -12.335 4.917 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -3.034 -11.490 6.299 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -3.448 -13.157 6.648 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -1.043 -13.072 6.520 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -1.584 -13.875 5.059 1.00 0.00 H new ATOM 1065 N SER A 64 -3.596 -10.237 4.012 1.00 0.00 N ATOM 1066 CA SER A 64 -3.214 -9.127 3.155 1.00 0.00 C ATOM 1067 C SER A 64 -2.857 -7.907 4.006 1.00 0.00 C ATOM 1068 O SER A 64 -3.441 -7.694 5.067 1.00 0.00 O ATOM 1069 CB SER A 64 -4.334 -8.780 2.172 1.00 0.00 C ATOM 1070 OG SER A 64 -4.649 -9.872 1.314 1.00 0.00 O ATOM 0 H SER A 64 -3.982 -9.965 4.916 1.00 0.00 H new ATOM 0 HA SER A 64 -2.340 -9.426 2.577 1.00 0.00 H new ATOM 0 HB2 SER A 64 -5.225 -8.486 2.727 1.00 0.00 H new ATOM 0 HB3 SER A 64 -4.035 -7.921 1.571 1.00 0.00 H new ATOM 0 HG SER A 64 -4.130 -10.659 1.582 1.00 0.00 H new ATOM 1076 N LYS A 65 -1.899 -7.138 3.508 1.00 0.00 N ATOM 1077 CA LYS A 65 -1.458 -5.945 4.210 1.00 0.00 C ATOM 1078 C LYS A 65 -1.697 -4.720 3.325 1.00 0.00 C ATOM 1079 O LYS A 65 -1.904 -4.852 2.120 1.00 0.00 O ATOM 1080 CB LYS A 65 -0.006 -6.099 4.667 1.00 0.00 C ATOM 1081 CG LYS A 65 0.959 -5.940 3.490 1.00 0.00 C ATOM 1082 CD LYS A 65 2.294 -5.350 3.951 1.00 0.00 C ATOM 1083 CE LYS A 65 2.240 -3.821 3.968 1.00 0.00 C ATOM 1084 NZ LYS A 65 2.456 -3.279 2.608 1.00 0.00 N ATOM 0 H LYS A 65 -1.417 -7.318 2.628 1.00 0.00 H new ATOM 0 HA LYS A 65 -2.041 -5.801 5.119 1.00 0.00 H new ATOM 0 HB2 LYS A 65 0.220 -5.354 5.430 1.00 0.00 H new ATOM 0 HB3 LYS A 65 0.133 -7.078 5.126 1.00 0.00 H new ATOM 0 HG2 LYS A 65 1.128 -6.909 3.021 1.00 0.00 H new ATOM 0 HG3 LYS A 65 0.513 -5.293 2.734 1.00 0.00 H new ATOM 0 HD2 LYS A 65 2.535 -5.720 4.948 1.00 0.00 H new ATOM 0 HD3 LYS A 65 3.092 -5.682 3.286 1.00 0.00 H new ATOM 0 HE2 LYS A 65 1.274 -3.490 4.349 1.00 0.00 H new ATOM 0 HE3 LYS A 65 3.000 -3.432 4.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 2.416 -2.240 2.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 3.388 -3.580 2.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 1.716 -3.636 1.971 1.00 0.00 H new ATOM 1098 N GLY A 66 -1.661 -3.556 3.958 1.00 0.00 N ATOM 1099 CA GLY A 66 -1.872 -2.309 3.243 1.00 0.00 C ATOM 1100 C GLY A 66 -1.749 -1.110 4.185 1.00 0.00 C ATOM 1101 O GLY A 66 -2.217 -1.158 5.321 1.00 0.00 O ATOM 0 H GLY A 66 -1.489 -3.451 4.958 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -1.143 -2.220 2.438 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -2.859 -2.313 2.781 1.00 0.00 H new ATOM 1105 N TYR A 67 -1.118 -0.062 3.677 1.00 0.00 N ATOM 1106 CA TYR A 67 -0.928 1.148 4.459 1.00 0.00 C ATOM 1107 C TYR A 67 -2.105 2.108 4.278 1.00 0.00 C ATOM 1108 O TYR A 67 -2.506 2.400 3.153 1.00 0.00 O ATOM 1109 CB TYR A 67 0.341 1.808 3.914 1.00 0.00 C ATOM 1110 CG TYR A 67 1.353 2.197 4.994 1.00 0.00 C ATOM 1111 CD1 TYR A 67 0.928 2.843 6.137 1.00 0.00 C ATOM 1112 CD2 TYR A 67 2.690 1.901 4.824 1.00 0.00 C ATOM 1113 CE1 TYR A 67 1.881 3.209 7.153 1.00 0.00 C ATOM 1114 CE2 TYR A 67 3.643 2.267 5.840 1.00 0.00 C ATOM 1115 CZ TYR A 67 3.191 2.903 6.954 1.00 0.00 C ATOM 1116 OH TYR A 67 4.091 3.249 7.914 1.00 0.00 O ATOM 0 H TYR A 67 -0.732 -0.025 2.734 1.00 0.00 H new ATOM 0 HA TYR A 67 -0.853 0.911 5.520 1.00 0.00 H new ATOM 0 HB2 TYR A 67 0.819 1.126 3.211 1.00 0.00 H new ATOM 0 HB3 TYR A 67 0.062 2.700 3.353 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -0.119 3.074 6.270 1.00 0.00 H new ATOM 0 HD2 TYR A 67 3.022 1.395 3.929 1.00 0.00 H new ATOM 0 HE1 TYR A 67 1.562 3.715 8.052 1.00 0.00 H new ATOM 0 HE2 TYR A 67 4.692 2.042 5.720 1.00 0.00 H new ATOM 0 HH TYR A 67 4.382 2.446 8.394 1.00 0.00 H new ATOM 1126 N ALA A 68 -2.627 2.573 5.404 1.00 0.00 N ATOM 1127 CA ALA A 68 -3.750 3.494 5.384 1.00 0.00 C ATOM 1128 C ALA A 68 -3.273 4.883 5.814 1.00 0.00 C ATOM 1129 O ALA A 68 -2.283 5.008 6.533 1.00 0.00 O ATOM 1130 CB ALA A 68 -4.867 2.958 6.282 1.00 0.00 C ATOM 0 H ALA A 68 -2.292 2.329 6.336 1.00 0.00 H new ATOM 0 HA ALA A 68 -4.156 3.582 4.376 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -5.709 3.649 6.267 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -5.191 1.983 5.917 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -4.497 2.859 7.303 1.00 0.00 H new ATOM 1136 N LYS A 69 -4.000 5.892 5.355 1.00 0.00 N ATOM 1137 CA LYS A 69 -3.663 7.267 5.684 1.00 0.00 C ATOM 1138 C LYS A 69 -4.842 7.916 6.412 1.00 0.00 C ATOM 1139 O LYS A 69 -5.901 8.126 5.823 1.00 0.00 O ATOM 1140 CB LYS A 69 -3.223 8.024 4.429 1.00 0.00 C ATOM 1141 CG LYS A 69 -1.839 7.563 3.968 1.00 0.00 C ATOM 1142 CD LYS A 69 -1.573 7.989 2.523 1.00 0.00 C ATOM 1143 CE LYS A 69 -2.396 7.149 1.544 1.00 0.00 C ATOM 1144 NZ LYS A 69 -1.882 7.309 0.165 1.00 0.00 N ATOM 0 H LYS A 69 -4.820 5.785 4.758 1.00 0.00 H new ATOM 0 HA LYS A 69 -2.812 7.299 6.364 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -3.948 7.864 3.631 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -3.204 9.094 4.633 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -1.075 7.984 4.622 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -1.767 6.479 4.050 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -1.820 9.044 2.400 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -0.512 7.881 2.298 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -2.356 6.099 1.834 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -3.442 7.452 1.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -2.472 6.759 -0.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -1.911 8.314 -0.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -0.901 6.966 0.118 1.00 0.00 H new ATOM 1158 N LEU A 70 -4.618 8.215 7.683 1.00 0.00 N ATOM 1159 CA LEU A 70 -5.649 8.836 8.498 1.00 0.00 C ATOM 1160 C LEU A 70 -5.403 10.345 8.561 1.00 0.00 C ATOM 1161 O LEU A 70 -4.313 10.785 8.923 1.00 0.00 O ATOM 1162 CB LEU A 70 -5.721 8.167 9.872 1.00 0.00 C ATOM 1163 CG LEU A 70 -6.540 8.903 10.934 1.00 0.00 C ATOM 1164 CD1 LEU A 70 -7.878 9.376 10.364 1.00 0.00 C ATOM 1165 CD2 LEU A 70 -6.722 8.038 12.183 1.00 0.00 C ATOM 0 H LEU A 70 -3.738 8.039 8.169 1.00 0.00 H new ATOM 0 HA LEU A 70 -6.630 8.691 8.047 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -6.139 7.168 9.746 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -4.705 8.042 10.247 1.00 0.00 H new ATOM 0 HG LEU A 70 -5.987 9.792 11.236 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -8.440 9.896 11.139 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -7.699 10.054 9.529 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -8.450 8.516 10.016 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -7.308 8.585 12.922 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -7.242 7.118 11.916 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -5.746 7.794 12.602 1.00 0.00 H new ATOM 1177 N TYR A 71 -6.434 11.096 8.203 1.00 0.00 N ATOM 1178 CA TYR A 71 -6.343 12.546 8.214 1.00 0.00 C ATOM 1179 C TYR A 71 -7.253 13.144 9.290 1.00 0.00 C ATOM 1180 O TYR A 71 -8.247 12.531 9.678 1.00 0.00 O ATOM 1181 CB TYR A 71 -6.827 13.009 6.839 1.00 0.00 C ATOM 1182 CG TYR A 71 -5.884 12.642 5.691 1.00 0.00 C ATOM 1183 CD1 TYR A 71 -5.826 11.340 5.236 1.00 0.00 C ATOM 1184 CD2 TYR A 71 -5.092 13.612 5.112 1.00 0.00 C ATOM 1185 CE1 TYR A 71 -4.939 10.994 4.156 1.00 0.00 C ATOM 1186 CE2 TYR A 71 -4.204 13.265 4.032 1.00 0.00 C ATOM 1187 CZ TYR A 71 -4.172 11.974 3.607 1.00 0.00 C ATOM 1188 OH TYR A 71 -3.334 11.647 2.587 1.00 0.00 O ATOM 0 H TYR A 71 -7.337 10.728 7.903 1.00 0.00 H new ATOM 0 HA TYR A 71 -5.323 12.865 8.427 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -7.807 12.573 6.644 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -6.958 14.091 6.857 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -6.446 10.581 5.690 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -5.138 14.631 5.468 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -4.884 9.979 3.790 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -3.578 14.014 3.570 1.00 0.00 H new ATOM 0 HH TYR A 71 -2.849 12.446 2.293 1.00 0.00 H new ATOM 1198 N GLU A 72 -6.881 14.333 9.741 1.00 0.00 N ATOM 1199 CA GLU A 72 -7.650 15.020 10.764 1.00 0.00 C ATOM 1200 C GLU A 72 -8.910 15.639 10.154 1.00 0.00 C ATOM 1201 O GLU A 72 -9.955 15.692 10.800 1.00 0.00 O ATOM 1202 CB GLU A 72 -6.803 16.082 11.467 1.00 0.00 C ATOM 1203 CG GLU A 72 -5.800 15.437 12.426 1.00 0.00 C ATOM 1204 CD GLU A 72 -5.024 16.500 13.205 1.00 0.00 C ATOM 1205 OE1 GLU A 72 -5.628 17.073 14.138 1.00 0.00 O ATOM 1206 OE2 GLU A 72 -3.846 16.717 12.851 1.00 0.00 O ATOM 0 H GLU A 72 -6.057 14.838 9.416 1.00 0.00 H new ATOM 0 HA GLU A 72 -7.953 14.290 11.514 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -6.271 16.678 10.725 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -7.451 16.764 12.018 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -6.326 14.783 13.122 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -5.105 14.813 11.865 1.00 0.00 H new ATOM 1213 N ASP A 73 -8.769 16.091 8.916 1.00 0.00 N ATOM 1214 CA ASP A 73 -9.882 16.704 8.212 1.00 0.00 C ATOM 1215 C ASP A 73 -9.873 16.244 6.753 1.00 0.00 C ATOM 1216 O ASP A 73 -8.875 15.707 6.274 1.00 0.00 O ATOM 1217 CB ASP A 73 -9.770 18.230 8.227 1.00 0.00 C ATOM 1218 CG ASP A 73 -10.837 18.948 9.055 1.00 0.00 C ATOM 1219 OD1 ASP A 73 -11.513 18.248 9.840 1.00 0.00 O ATOM 1220 OD2 ASP A 73 -10.953 20.181 8.884 1.00 0.00 O ATOM 0 H ASP A 73 -7.901 16.045 8.383 1.00 0.00 H new ATOM 0 HA ASP A 73 -10.803 16.405 8.712 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -8.788 18.503 8.612 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -9.822 18.593 7.201 1.00 0.00 H new ATOM 1225 N ALA A 74 -10.995 16.470 6.087 1.00 0.00 N ATOM 1226 CA ALA A 74 -11.129 16.086 4.692 1.00 0.00 C ATOM 1227 C ALA A 74 -10.488 17.157 3.808 1.00 0.00 C ATOM 1228 O ALA A 74 -9.904 16.844 2.772 1.00 0.00 O ATOM 1229 CB ALA A 74 -12.607 15.865 4.362 1.00 0.00 C ATOM 0 H ALA A 74 -11.821 16.915 6.488 1.00 0.00 H new ATOM 0 HA ALA A 74 -10.609 15.147 4.501 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -12.707 15.577 3.316 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -13.007 15.074 4.996 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -13.161 16.787 4.539 1.00 0.00 H new ATOM 1235 N ASP A 75 -10.618 18.399 4.250 1.00 0.00 N ATOM 1236 CA ASP A 75 -10.059 19.519 3.512 1.00 0.00 C ATOM 1237 C ASP A 75 -8.553 19.309 3.339 1.00 0.00 C ATOM 1238 O ASP A 75 -8.037 19.384 2.225 1.00 0.00 O ATOM 1239 CB ASP A 75 -10.269 20.835 4.265 1.00 0.00 C ATOM 1240 CG ASP A 75 -10.777 21.996 3.408 1.00 0.00 C ATOM 1241 OD1 ASP A 75 -11.144 21.724 2.244 1.00 0.00 O ATOM 1242 OD2 ASP A 75 -10.787 23.129 3.935 1.00 0.00 O ATOM 0 H ASP A 75 -11.103 18.655 5.110 1.00 0.00 H new ATOM 0 HA ASP A 75 -10.562 19.572 2.547 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -10.978 20.664 5.075 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -9.325 21.128 4.724 1.00 0.00 H new ATOM 1247 N ARG A 76 -7.892 19.050 4.457 1.00 0.00 N ATOM 1248 CA ARG A 76 -6.456 18.828 4.443 1.00 0.00 C ATOM 1249 C ARG A 76 -6.104 17.691 3.482 1.00 0.00 C ATOM 1250 O ARG A 76 -5.191 17.822 2.668 1.00 0.00 O ATOM 1251 CB ARG A 76 -5.938 18.484 5.841 1.00 0.00 C ATOM 1252 CG ARG A 76 -5.294 19.704 6.503 1.00 0.00 C ATOM 1253 CD ARG A 76 -6.168 20.948 6.328 1.00 0.00 C ATOM 1254 NE ARG A 76 -5.807 21.966 7.339 1.00 0.00 N ATOM 1255 CZ ARG A 76 -6.132 21.884 8.637 1.00 0.00 C ATOM 1256 NH1 ARG A 76 -6.827 20.832 9.088 1.00 0.00 N ATOM 1257 NH2 ARG A 76 -5.762 22.856 9.483 1.00 0.00 N ATOM 0 H ARG A 76 -8.324 18.989 5.379 1.00 0.00 H new ATOM 0 HA ARG A 76 -5.981 19.751 4.109 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -6.760 18.122 6.459 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -5.210 17.675 5.774 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -5.142 19.508 7.564 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -4.311 19.882 6.068 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -6.037 21.356 5.326 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -7.220 20.681 6.429 1.00 0.00 H new ATOM 0 HE ARG A 76 -5.278 22.781 7.029 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -7.109 20.093 8.444 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -7.074 20.770 10.076 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -5.233 23.658 9.139 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -6.009 22.794 10.471 1.00 0.00 H new ATOM 1271 N MET A 77 -6.846 16.601 3.609 1.00 0.00 N ATOM 1272 CA MET A 77 -6.624 15.441 2.762 1.00 0.00 C ATOM 1273 C MET A 77 -6.579 15.841 1.286 1.00 0.00 C ATOM 1274 O MET A 77 -5.776 15.310 0.519 1.00 0.00 O ATOM 1275 CB MET A 77 -7.746 14.425 2.981 1.00 0.00 C ATOM 1276 CG MET A 77 -7.746 13.361 1.882 1.00 0.00 C ATOM 1277 SD MET A 77 -8.523 11.868 2.477 1.00 0.00 S ATOM 1278 CE MET A 77 -10.235 12.373 2.435 1.00 0.00 C ATOM 0 H MET A 77 -7.602 16.496 4.286 1.00 0.00 H new ATOM 0 HA MET A 77 -5.664 14.998 3.029 1.00 0.00 H new ATOM 0 HB2 MET A 77 -7.624 13.948 3.954 1.00 0.00 H new ATOM 0 HB3 MET A 77 -8.708 14.938 2.995 1.00 0.00 H new ATOM 0 HG2 MET A 77 -8.277 13.732 1.005 1.00 0.00 H new ATOM 0 HG3 MET A 77 -6.723 13.149 1.570 1.00 0.00 H new ATOM 0 HE1 MET A 77 -10.587 12.552 3.451 1.00 0.00 H new ATOM 0 HE2 MET A 77 -10.330 13.289 1.851 1.00 0.00 H new ATOM 0 HE3 MET A 77 -10.835 11.587 1.977 1.00 0.00 H new