USER MOD reduce.3.24.130724 H: found=0, std=0, add=566, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 563 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 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 66 THR OG1 : rot 170:sc= 0 USER MOD Set 2.1: A 23 SER OG : rot 180:sc= -0.0162 USER MOD Set 2.2: A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 176:sc= -0.402 (180deg=-0.447) USER MOD Single : A 7 ASN : amide:sc= -1.71 X(o=-1.7,f=-2) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 CYS SG : rot -91:sc= -0.958 USER MOD Single : A 28 LYS NZ :NH3+ -124:sc= 0.171 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot -8:sc= 0.434 USER MOD Single : A 34 GLN : amide:sc= -0.0856 K(o=-0.086,f=-0.6) USER MOD Single : A 37 THR OG1 : rot -160:sc= -1.81! USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 60 TYR OH : rot 30:sc= 0.369 USER MOD Single : A 63 HIS : no HD1:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 65 GLN :FLIP amide:sc= -0.209 F(o=-0.87,f=-0.21) USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 10.482 5.757 6.354 1.00 0.46 N ATOM 2 CA MET A 1 9.485 4.704 6.003 1.00 0.31 C ATOM 3 C MET A 1 8.129 5.049 6.631 1.00 0.29 C ATOM 4 O MET A 1 8.050 5.424 7.788 1.00 0.42 O ATOM 5 CB MET A 1 9.968 3.347 6.529 1.00 0.41 C ATOM 6 CG MET A 1 9.870 2.300 5.416 1.00 0.63 C ATOM 7 SD MET A 1 10.972 0.914 5.788 1.00 1.14 S ATOM 8 CE MET A 1 11.344 0.453 4.076 1.00 1.38 C ATOM 0 H1 MET A 1 11.416 5.487 5.985 1.00 0.46 H new ATOM 0 H2 MET A 1 10.192 6.663 5.934 1.00 0.46 H new ATOM 0 H3 MET A 1 10.534 5.855 7.388 1.00 0.46 H new ATOM 0 HA MET A 1 9.376 4.654 4.920 1.00 0.31 H new ATOM 0 HB2 MET A 1 10.998 3.426 6.878 1.00 0.41 H new ATOM 0 HB3 MET A 1 9.365 3.041 7.384 1.00 0.41 H new ATOM 0 HG2 MET A 1 8.843 1.947 5.325 1.00 0.63 H new ATOM 0 HG3 MET A 1 10.140 2.746 4.459 1.00 0.63 H new ATOM 0 HE1 MET A 1 12.023 -0.400 4.068 1.00 1.38 H new ATOM 0 HE2 MET A 1 10.420 0.186 3.562 1.00 1.38 H new ATOM 0 HE3 MET A 1 11.813 1.295 3.566 1.00 1.38 H new ATOM 18 N ILE A 2 7.066 4.927 5.872 1.00 0.23 N ATOM 19 CA ILE A 2 5.707 5.250 6.410 1.00 0.22 C ATOM 20 C ILE A 2 4.828 3.996 6.410 1.00 0.22 C ATOM 21 O ILE A 2 5.092 3.037 5.708 1.00 0.26 O ATOM 22 CB ILE A 2 5.044 6.336 5.549 1.00 0.23 C ATOM 23 CG1 ILE A 2 4.939 5.864 4.094 1.00 0.28 C ATOM 24 CG2 ILE A 2 5.877 7.619 5.606 1.00 0.28 C ATOM 25 CD1 ILE A 2 3.846 6.658 3.373 1.00 0.39 C ATOM 0 H ILE A 2 7.082 4.617 4.900 1.00 0.23 H new ATOM 0 HA ILE A 2 5.815 5.614 7.432 1.00 0.22 H new ATOM 0 HB ILE A 2 4.044 6.531 5.936 1.00 0.23 H new ATOM 0 HG12 ILE A 2 5.895 5.999 3.588 1.00 0.28 H new ATOM 0 HG13 ILE A 2 4.709 4.799 4.062 1.00 0.28 H new ATOM 0 HG21 ILE A 2 5.404 8.387 4.994 1.00 0.28 H new ATOM 0 HG22 ILE A 2 5.942 7.965 6.638 1.00 0.28 H new ATOM 0 HG23 ILE A 2 6.879 7.419 5.227 1.00 0.28 H new ATOM 0 HD11 ILE A 2 3.773 6.321 2.339 1.00 0.39 H new ATOM 0 HD12 ILE A 2 2.891 6.500 3.874 1.00 0.39 H new ATOM 0 HD13 ILE A 2 4.095 7.719 3.392 1.00 0.39 H new ATOM 37 N GLU A 3 3.775 4.008 7.191 1.00 0.23 N ATOM 38 CA GLU A 3 2.855 2.833 7.250 1.00 0.24 C ATOM 39 C GLU A 3 1.546 3.195 6.542 1.00 0.24 C ATOM 40 O GLU A 3 0.960 4.227 6.802 1.00 0.36 O ATOM 41 CB GLU A 3 2.579 2.482 8.716 1.00 0.31 C ATOM 42 CG GLU A 3 1.682 1.241 8.799 1.00 0.39 C ATOM 43 CD GLU A 3 2.477 -0.008 8.403 1.00 0.59 C ATOM 44 OE1 GLU A 3 3.295 -0.445 9.197 1.00 0.86 O ATOM 45 OE2 GLU A 3 2.250 -0.509 7.315 1.00 0.80 O ATOM 0 H GLU A 3 3.513 4.788 7.794 1.00 0.23 H new ATOM 0 HA GLU A 3 3.309 1.973 6.757 1.00 0.24 H new ATOM 0 HB2 GLU A 3 3.518 2.297 9.237 1.00 0.31 H new ATOM 0 HB3 GLU A 3 2.097 3.323 9.215 1.00 0.31 H new ATOM 0 HG2 GLU A 3 1.294 1.129 9.812 1.00 0.39 H new ATOM 0 HG3 GLU A 3 0.822 1.359 8.140 1.00 0.39 H new ATOM 52 N VAL A 4 1.090 2.357 5.640 1.00 0.20 N ATOM 53 CA VAL A 4 -0.176 2.662 4.903 1.00 0.20 C ATOM 54 C VAL A 4 -1.070 1.416 4.839 1.00 0.21 C ATOM 55 O VAL A 4 -0.616 0.300 5.031 1.00 0.32 O ATOM 56 CB VAL A 4 0.159 3.133 3.479 1.00 0.24 C ATOM 57 CG1 VAL A 4 0.903 4.469 3.544 1.00 0.32 C ATOM 58 CG2 VAL A 4 1.044 2.095 2.780 1.00 0.34 C ATOM 0 H VAL A 4 1.539 1.478 5.384 1.00 0.20 H new ATOM 0 HA VAL A 4 -0.711 3.450 5.432 1.00 0.20 H new ATOM 0 HB VAL A 4 -0.767 3.254 2.917 1.00 0.24 H new ATOM 0 HG11 VAL A 4 1.140 4.803 2.534 1.00 0.32 H new ATOM 0 HG12 VAL A 4 0.274 5.212 4.033 1.00 0.32 H new ATOM 0 HG13 VAL A 4 1.825 4.345 4.111 1.00 0.32 H new ATOM 0 HG21 VAL A 4 1.277 2.436 1.771 1.00 0.34 H new ATOM 0 HG22 VAL A 4 1.969 1.967 3.343 1.00 0.34 H new ATOM 0 HG23 VAL A 4 0.516 1.143 2.728 1.00 0.34 H new ATOM 68 N VAL A 5 -2.338 1.608 4.566 1.00 0.21 N ATOM 69 CA VAL A 5 -3.285 0.452 4.478 1.00 0.24 C ATOM 70 C VAL A 5 -3.847 0.357 3.056 1.00 0.25 C ATOM 71 O VAL A 5 -4.067 1.358 2.398 1.00 0.37 O ATOM 72 CB VAL A 5 -4.440 0.635 5.474 1.00 0.30 C ATOM 73 CG1 VAL A 5 -3.916 0.472 6.903 1.00 0.40 C ATOM 74 CG2 VAL A 5 -5.060 2.029 5.313 1.00 0.44 C ATOM 0 H VAL A 5 -2.760 2.522 4.399 1.00 0.21 H new ATOM 0 HA VAL A 5 -2.748 -0.464 4.722 1.00 0.24 H new ATOM 0 HB VAL A 5 -5.202 -0.119 5.275 1.00 0.30 H new ATOM 0 HG11 VAL A 5 -4.737 0.602 7.609 1.00 0.40 H new ATOM 0 HG12 VAL A 5 -3.489 -0.524 7.023 1.00 0.40 H new ATOM 0 HG13 VAL A 5 -3.149 1.221 7.097 1.00 0.40 H new ATOM 0 HG21 VAL A 5 -5.878 2.148 6.024 1.00 0.44 H new ATOM 0 HG22 VAL A 5 -4.301 2.789 5.502 1.00 0.44 H new ATOM 0 HG23 VAL A 5 -5.442 2.142 4.298 1.00 0.44 H new ATOM 84 N VAL A 6 -4.081 -0.842 2.580 1.00 0.23 N ATOM 85 CA VAL A 6 -4.630 -1.021 1.201 1.00 0.26 C ATOM 86 C VAL A 6 -5.899 -1.877 1.277 1.00 0.25 C ATOM 87 O VAL A 6 -5.851 -3.043 1.631 1.00 0.29 O ATOM 88 CB VAL A 6 -3.591 -1.712 0.303 1.00 0.30 C ATOM 89 CG1 VAL A 6 -3.844 -1.326 -1.156 1.00 0.36 C ATOM 90 CG2 VAL A 6 -2.176 -1.274 0.701 1.00 0.46 C ATOM 0 H VAL A 6 -3.914 -1.709 3.091 1.00 0.23 H new ATOM 0 HA VAL A 6 -4.866 -0.046 0.775 1.00 0.26 H new ATOM 0 HB VAL A 6 -3.680 -2.792 0.423 1.00 0.30 H new ATOM 0 HG11 VAL A 6 -3.108 -1.815 -1.795 1.00 0.36 H new ATOM 0 HG12 VAL A 6 -4.845 -1.643 -1.448 1.00 0.36 H new ATOM 0 HG13 VAL A 6 -3.759 -0.245 -1.266 1.00 0.36 H new ATOM 0 HG21 VAL A 6 -1.448 -1.769 0.059 1.00 0.46 H new ATOM 0 HG22 VAL A 6 -2.084 -0.194 0.588 1.00 0.46 H new ATOM 0 HG23 VAL A 6 -1.989 -1.547 1.739 1.00 0.46 H new ATOM 100 N ASN A 7 -7.033 -1.305 0.953 1.00 0.26 N ATOM 101 CA ASN A 7 -8.316 -2.070 1.012 1.00 0.29 C ATOM 102 C ASN A 7 -8.679 -2.577 -0.387 1.00 0.30 C ATOM 103 O ASN A 7 -8.699 -1.822 -1.344 1.00 0.34 O ATOM 104 CB ASN A 7 -9.433 -1.157 1.528 1.00 0.34 C ATOM 105 CG ASN A 7 -9.443 -1.166 3.058 1.00 0.46 C ATOM 106 OD1 ASN A 7 -10.318 -1.752 3.667 1.00 0.63 O ATOM 107 ND2 ASN A 7 -8.503 -0.538 3.713 1.00 0.59 N ATOM 0 H ASN A 7 -7.125 -0.336 0.649 1.00 0.26 H new ATOM 0 HA ASN A 7 -8.198 -2.919 1.685 1.00 0.29 H new ATOM 0 HB2 ASN A 7 -9.283 -0.141 1.162 1.00 0.34 H new ATOM 0 HB3 ASN A 7 -10.397 -1.495 1.147 1.00 0.34 H new ATOM 0 HD21 ASN A 7 -8.504 -0.540 4.733 1.00 0.59 H new ATOM 0 HD22 ASN A 7 -7.768 -0.046 3.204 1.00 0.59 H new ATOM 114 N ASP A 8 -8.971 -3.852 -0.508 1.00 0.34 N ATOM 115 CA ASP A 8 -9.338 -4.420 -1.840 1.00 0.38 C ATOM 116 C ASP A 8 -10.714 -3.893 -2.266 1.00 0.40 C ATOM 117 O ASP A 8 -10.914 -3.522 -3.408 1.00 0.55 O ATOM 118 CB ASP A 8 -9.375 -5.952 -1.764 1.00 0.42 C ATOM 119 CG ASP A 8 -8.534 -6.541 -2.902 1.00 0.60 C ATOM 120 OD1 ASP A 8 -9.064 -6.687 -3.992 1.00 0.74 O ATOM 121 OD2 ASP A 8 -7.375 -6.835 -2.664 1.00 0.88 O ATOM 0 H ASP A 8 -8.970 -4.522 0.261 1.00 0.34 H new ATOM 0 HA ASP A 8 -8.591 -4.116 -2.574 1.00 0.38 H new ATOM 0 HB2 ASP A 8 -8.990 -6.288 -0.801 1.00 0.42 H new ATOM 0 HB3 ASP A 8 -10.403 -6.306 -1.837 1.00 0.42 H new ATOM 198 N LYS A 13 -8.260 -5.564 4.233 1.00 0.46 N ATOM 199 CA LYS A 13 -7.212 -4.506 4.041 1.00 0.43 C ATOM 200 C LYS A 13 -5.820 -5.071 4.382 1.00 0.36 C ATOM 201 O LYS A 13 -5.693 -6.007 5.153 1.00 0.48 O ATOM 202 CB LYS A 13 -7.514 -3.308 4.950 1.00 0.49 C ATOM 203 CG LYS A 13 -7.642 -3.768 6.407 1.00 0.52 C ATOM 204 CD LYS A 13 -7.124 -2.669 7.338 1.00 0.99 C ATOM 205 CE LYS A 13 -5.674 -2.973 7.730 1.00 1.88 C ATOM 206 NZ LYS A 13 -5.653 -3.854 8.936 1.00 2.36 N ATOM 0 HA LYS A 13 -7.222 -4.185 2.999 1.00 0.43 H new ATOM 0 HB2 LYS A 13 -6.719 -2.567 4.863 1.00 0.49 H new ATOM 0 HB3 LYS A 13 -8.437 -2.824 4.631 1.00 0.49 H new ATOM 0 HG2 LYS A 13 -8.683 -3.994 6.638 1.00 0.52 H new ATOM 0 HG3 LYS A 13 -7.075 -4.686 6.561 1.00 0.52 H new ATOM 0 HD2 LYS A 13 -7.182 -1.700 6.842 1.00 0.99 H new ATOM 0 HD3 LYS A 13 -7.748 -2.609 8.230 1.00 0.99 H new ATOM 0 HE2 LYS A 13 -5.158 -3.460 6.903 1.00 1.88 H new ATOM 0 HE3 LYS A 13 -5.141 -2.045 7.936 1.00 1.88 H new ATOM 0 HZ1 LYS A 13 -4.668 -4.058 9.199 1.00 2.36 H new ATOM 0 HZ2 LYS A 13 -6.130 -3.373 9.725 1.00 2.36 H new ATOM 0 HZ3 LYS A 13 -6.147 -4.745 8.724 1.00 2.36 H new ATOM 220 N VAL A 14 -4.776 -4.506 3.810 1.00 0.33 N ATOM 221 CA VAL A 14 -3.389 -5.003 4.094 1.00 0.31 C ATOM 222 C VAL A 14 -2.505 -3.849 4.588 1.00 0.28 C ATOM 223 O VAL A 14 -2.526 -2.759 4.043 1.00 0.34 O ATOM 224 CB VAL A 14 -2.771 -5.593 2.817 1.00 0.38 C ATOM 225 CG1 VAL A 14 -1.547 -6.436 3.188 1.00 0.82 C ATOM 226 CG2 VAL A 14 -3.795 -6.478 2.102 1.00 0.84 C ATOM 0 H VAL A 14 -4.827 -3.722 3.159 1.00 0.33 H new ATOM 0 HA VAL A 14 -3.448 -5.773 4.863 1.00 0.31 H new ATOM 0 HB VAL A 14 -2.474 -4.780 2.155 1.00 0.38 H new ATOM 0 HG11 VAL A 14 -1.107 -6.856 2.284 1.00 0.82 H new ATOM 0 HG12 VAL A 14 -0.812 -5.808 3.692 1.00 0.82 H new ATOM 0 HG13 VAL A 14 -1.850 -7.245 3.853 1.00 0.82 H new ATOM 0 HG21 VAL A 14 -3.349 -6.892 1.198 1.00 0.84 H new ATOM 0 HG22 VAL A 14 -4.098 -7.290 2.763 1.00 0.84 H new ATOM 0 HG23 VAL A 14 -4.668 -5.882 1.836 1.00 0.84 H new ATOM 236 N ARG A 15 -1.717 -4.094 5.611 1.00 0.25 N ATOM 237 CA ARG A 15 -0.810 -3.035 6.153 1.00 0.26 C ATOM 238 C ARG A 15 0.607 -3.256 5.604 1.00 0.23 C ATOM 239 O ARG A 15 1.194 -4.310 5.786 1.00 0.33 O ATOM 240 CB ARG A 15 -0.788 -3.116 7.686 1.00 0.32 C ATOM 241 CG ARG A 15 -1.788 -2.113 8.274 1.00 0.46 C ATOM 242 CD ARG A 15 -1.032 -0.948 8.916 1.00 0.80 C ATOM 243 NE ARG A 15 -1.832 -0.391 10.045 1.00 0.78 N ATOM 244 CZ ARG A 15 -1.841 0.895 10.268 1.00 0.77 C ATOM 245 NH1 ARG A 15 -0.828 1.458 10.879 1.00 1.59 N ATOM 246 NH2 ARG A 15 -2.863 1.619 9.884 1.00 1.09 N ATOM 0 H ARG A 15 -1.665 -4.990 6.095 1.00 0.25 H new ATOM 0 HA ARG A 15 -1.170 -2.052 5.850 1.00 0.26 H new ATOM 0 HB2 ARG A 15 -1.039 -4.126 8.009 1.00 0.32 H new ATOM 0 HB3 ARG A 15 0.215 -2.903 8.056 1.00 0.32 H new ATOM 0 HG2 ARG A 15 -2.449 -1.743 7.491 1.00 0.46 H new ATOM 0 HG3 ARG A 15 -2.417 -2.604 9.016 1.00 0.46 H new ATOM 0 HD2 ARG A 15 -0.061 -1.287 9.278 1.00 0.80 H new ATOM 0 HD3 ARG A 15 -0.842 -0.172 8.174 1.00 0.80 H new ATOM 0 HE ARG A 15 -2.373 -1.016 10.643 1.00 0.78 H new ATOM 0 HH11 ARG A 15 -0.035 0.892 11.179 1.00 1.59 H new ATOM 0 HH12 ARG A 15 -0.833 2.463 11.054 1.00 1.59 H new ATOM 0 HH21 ARG A 15 -3.652 1.178 9.411 1.00 1.09 H new ATOM 0 HH22 ARG A 15 -2.870 2.624 10.058 1.00 1.09 H new ATOM 260 N VAL A 16 1.157 -2.271 4.931 1.00 0.23 N ATOM 261 CA VAL A 16 2.535 -2.412 4.360 1.00 0.26 C ATOM 262 C VAL A 16 3.303 -1.094 4.546 1.00 0.27 C ATOM 263 O VAL A 16 2.766 -0.018 4.349 1.00 0.34 O ATOM 264 CB VAL A 16 2.436 -2.768 2.866 1.00 0.31 C ATOM 265 CG1 VAL A 16 1.732 -1.644 2.098 1.00 0.38 C ATOM 266 CG2 VAL A 16 3.841 -2.976 2.288 1.00 0.45 C ATOM 0 H VAL A 16 0.708 -1.373 4.753 1.00 0.23 H new ATOM 0 HA VAL A 16 3.070 -3.208 4.878 1.00 0.26 H new ATOM 0 HB VAL A 16 1.858 -3.687 2.763 1.00 0.31 H new ATOM 0 HG11 VAL A 16 1.669 -1.909 1.043 1.00 0.38 H new ATOM 0 HG12 VAL A 16 0.728 -1.504 2.498 1.00 0.38 H new ATOM 0 HG13 VAL A 16 2.298 -0.719 2.207 1.00 0.38 H new ATOM 0 HG21 VAL A 16 3.766 -3.228 1.230 1.00 0.45 H new ATOM 0 HG22 VAL A 16 4.421 -2.060 2.403 1.00 0.45 H new ATOM 0 HG23 VAL A 16 4.337 -3.788 2.820 1.00 0.45 H new ATOM 276 N LYS A 17 4.556 -1.173 4.938 1.00 0.28 N ATOM 277 CA LYS A 17 5.357 0.073 5.151 1.00 0.31 C ATOM 278 C LYS A 17 6.339 0.288 3.985 1.00 0.28 C ATOM 279 O LYS A 17 6.944 -0.645 3.486 1.00 0.38 O ATOM 280 CB LYS A 17 6.119 -0.024 6.484 1.00 0.40 C ATOM 281 CG LYS A 17 7.265 -1.040 6.382 1.00 0.50 C ATOM 282 CD LYS A 17 7.701 -1.459 7.791 1.00 1.05 C ATOM 283 CE LYS A 17 7.349 -2.931 8.023 1.00 1.96 C ATOM 284 NZ LYS A 17 5.940 -3.039 8.499 1.00 2.69 N ATOM 0 H LYS A 17 5.055 -2.044 5.118 1.00 0.28 H new ATOM 0 HA LYS A 17 4.681 0.927 5.189 1.00 0.31 H new ATOM 0 HB2 LYS A 17 6.517 0.954 6.753 1.00 0.40 H new ATOM 0 HB3 LYS A 17 5.434 -0.319 7.279 1.00 0.40 H new ATOM 0 HG2 LYS A 17 6.942 -1.913 5.815 1.00 0.50 H new ATOM 0 HG3 LYS A 17 8.106 -0.603 5.844 1.00 0.50 H new ATOM 0 HD2 LYS A 17 8.774 -1.308 7.910 1.00 1.05 H new ATOM 0 HD3 LYS A 17 7.207 -0.835 8.536 1.00 1.05 H new ATOM 0 HE2 LYS A 17 7.476 -3.496 7.099 1.00 1.96 H new ATOM 0 HE3 LYS A 17 8.026 -3.366 8.758 1.00 1.96 H new ATOM 0 HZ1 LYS A 17 5.702 -4.039 8.656 1.00 2.69 H new ATOM 0 HZ2 LYS A 17 5.833 -2.514 9.390 1.00 2.69 H new ATOM 0 HZ3 LYS A 17 5.300 -2.640 7.783 1.00 2.69 H new ATOM 298 N CYS A 18 6.491 1.521 3.552 1.00 0.25 N ATOM 299 CA CYS A 18 7.424 1.835 2.421 1.00 0.28 C ATOM 300 C CYS A 18 7.832 3.315 2.480 1.00 0.23 C ATOM 301 O CYS A 18 7.090 4.151 2.966 1.00 0.27 O ATOM 302 CB CYS A 18 6.727 1.558 1.083 1.00 0.37 C ATOM 303 SG CYS A 18 7.342 0.004 0.388 1.00 0.73 S ATOM 0 H CYS A 18 6.003 2.329 3.939 1.00 0.25 H new ATOM 0 HA CYS A 18 8.311 1.208 2.508 1.00 0.28 H new ATOM 0 HB2 CYS A 18 5.648 1.501 1.228 1.00 0.37 H new ATOM 0 HB3 CYS A 18 6.912 2.377 0.388 1.00 0.37 H new ATOM 0 HG CYS A 18 8.362 0.246 -0.381 1.00 0.73 H new ATOM 309 N LEU A 19 9.000 3.644 1.974 1.00 0.26 N ATOM 310 CA LEU A 19 9.460 5.070 1.985 1.00 0.25 C ATOM 311 C LEU A 19 8.775 5.831 0.842 1.00 0.26 C ATOM 312 O LEU A 19 8.470 5.266 -0.194 1.00 0.29 O ATOM 313 CB LEU A 19 10.983 5.123 1.797 1.00 0.31 C ATOM 314 CG LEU A 19 11.645 5.740 3.035 1.00 0.44 C ATOM 315 CD1 LEU A 19 12.987 5.050 3.295 1.00 0.79 C ATOM 316 CD2 LEU A 19 11.884 7.235 2.801 1.00 0.90 C ATOM 0 H LEU A 19 9.654 2.984 1.554 1.00 0.26 H new ATOM 0 HA LEU A 19 9.200 5.529 2.939 1.00 0.25 H new ATOM 0 HB2 LEU A 19 11.372 4.119 1.629 1.00 0.31 H new ATOM 0 HB3 LEU A 19 11.228 5.711 0.913 1.00 0.31 H new ATOM 0 HG LEU A 19 10.990 5.606 3.896 1.00 0.44 H new ATOM 0 HD11 LEU A 19 13.457 5.489 4.175 1.00 0.79 H new ATOM 0 HD12 LEU A 19 12.822 3.986 3.464 1.00 0.79 H new ATOM 0 HD13 LEU A 19 13.638 5.183 2.431 1.00 0.79 H new ATOM 0 HD21 LEU A 19 12.354 7.671 3.682 1.00 0.90 H new ATOM 0 HD22 LEU A 19 12.536 7.368 1.938 1.00 0.90 H new ATOM 0 HD23 LEU A 19 10.931 7.731 2.616 1.00 0.90 H new ATOM 328 N ALA A 20 8.531 7.109 1.024 1.00 0.28 N ATOM 329 CA ALA A 20 7.866 7.919 -0.049 1.00 0.34 C ATOM 330 C ALA A 20 8.766 7.994 -1.294 1.00 0.34 C ATOM 331 O ALA A 20 8.294 8.244 -2.390 1.00 0.37 O ATOM 332 CB ALA A 20 7.592 9.334 0.471 1.00 0.42 C ATOM 0 H ALA A 20 8.764 7.627 1.871 1.00 0.28 H new ATOM 0 HA ALA A 20 6.925 7.440 -0.321 1.00 0.34 H new ATOM 0 HB1 ALA A 20 7.109 9.921 -0.310 1.00 0.42 H new ATOM 0 HB2 ALA A 20 6.939 9.281 1.342 1.00 0.42 H new ATOM 0 HB3 ALA A 20 8.533 9.807 0.751 1.00 0.42 H new ATOM 338 N GLU A 21 10.054 7.772 -1.136 1.00 0.33 N ATOM 339 CA GLU A 21 10.985 7.822 -2.305 1.00 0.36 C ATOM 340 C GLU A 21 10.888 6.515 -3.103 1.00 0.33 C ATOM 341 O GLU A 21 11.200 6.482 -4.281 1.00 0.36 O ATOM 342 CB GLU A 21 12.428 8.020 -1.814 1.00 0.42 C ATOM 343 CG GLU A 21 12.834 6.871 -0.877 1.00 0.41 C ATOM 344 CD GLU A 21 13.814 5.934 -1.595 1.00 0.58 C ATOM 345 OE1 GLU A 21 14.977 6.291 -1.703 1.00 0.88 O ATOM 346 OE2 GLU A 21 13.386 4.872 -2.021 1.00 0.64 O ATOM 0 H GLU A 21 10.498 7.558 -0.243 1.00 0.33 H new ATOM 0 HA GLU A 21 10.706 8.657 -2.947 1.00 0.36 H new ATOM 0 HB2 GLU A 21 13.107 8.061 -2.666 1.00 0.42 H new ATOM 0 HB3 GLU A 21 12.514 8.973 -1.291 1.00 0.42 H new ATOM 0 HG2 GLU A 21 13.295 7.272 0.026 1.00 0.41 H new ATOM 0 HG3 GLU A 21 11.950 6.316 -0.564 1.00 0.41 H new ATOM 353 N ASP A 22 10.459 5.442 -2.473 1.00 0.32 N ATOM 354 CA ASP A 22 10.343 4.137 -3.193 1.00 0.32 C ATOM 355 C ASP A 22 9.297 4.253 -4.310 1.00 0.30 C ATOM 356 O ASP A 22 8.412 5.090 -4.259 1.00 0.37 O ATOM 357 CB ASP A 22 9.928 3.036 -2.209 1.00 0.33 C ATOM 358 CG ASP A 22 11.171 2.484 -1.504 1.00 0.37 C ATOM 359 OD1 ASP A 22 11.876 1.696 -2.115 1.00 0.48 O ATOM 360 OD2 ASP A 22 11.398 2.858 -0.365 1.00 0.59 O ATOM 0 H ASP A 22 10.185 5.418 -1.491 1.00 0.32 H new ATOM 0 HA ASP A 22 11.309 3.882 -3.630 1.00 0.32 H new ATOM 0 HB2 ASP A 22 9.228 3.435 -1.475 1.00 0.33 H new ATOM 0 HB3 ASP A 22 9.412 2.235 -2.739 1.00 0.33 H new ATOM 365 N SER A 23 9.402 3.426 -5.322 1.00 0.31 N ATOM 366 CA SER A 23 8.424 3.490 -6.452 1.00 0.30 C ATOM 367 C SER A 23 7.252 2.534 -6.203 1.00 0.27 C ATOM 368 O SER A 23 7.291 1.705 -5.310 1.00 0.30 O ATOM 369 CB SER A 23 9.129 3.106 -7.757 1.00 0.33 C ATOM 370 OG SER A 23 9.368 4.278 -8.526 1.00 0.81 O ATOM 0 H SER A 23 10.123 2.710 -5.414 1.00 0.31 H new ATOM 0 HA SER A 23 8.037 4.506 -6.525 1.00 0.30 H new ATOM 0 HB2 SER A 23 10.071 2.602 -7.540 1.00 0.33 H new ATOM 0 HB3 SER A 23 8.515 2.405 -8.323 1.00 0.33 H new ATOM 0 HG SER A 23 9.820 4.035 -9.361 1.00 0.81 H new ATOM 376 N VAL A 24 6.211 2.647 -7.001 1.00 0.28 N ATOM 377 CA VAL A 24 5.022 1.748 -6.841 1.00 0.29 C ATOM 378 C VAL A 24 5.478 0.291 -6.989 1.00 0.28 C ATOM 379 O VAL A 24 4.983 -0.588 -6.309 1.00 0.30 O ATOM 380 CB VAL A 24 3.974 2.073 -7.915 1.00 0.34 C ATOM 381 CG1 VAL A 24 2.768 1.144 -7.757 1.00 0.44 C ATOM 382 CG2 VAL A 24 3.518 3.529 -7.769 1.00 0.34 C ATOM 0 H VAL A 24 6.136 3.326 -7.758 1.00 0.28 H new ATOM 0 HA VAL A 24 4.578 1.899 -5.857 1.00 0.29 H new ATOM 0 HB VAL A 24 4.416 1.929 -8.901 1.00 0.34 H new ATOM 0 HG11 VAL A 24 2.026 1.378 -8.521 1.00 0.44 H new ATOM 0 HG12 VAL A 24 3.089 0.108 -7.868 1.00 0.44 H new ATOM 0 HG13 VAL A 24 2.328 1.284 -6.770 1.00 0.44 H new ATOM 0 HG21 VAL A 24 2.774 3.756 -8.533 1.00 0.34 H new ATOM 0 HG22 VAL A 24 3.080 3.676 -6.782 1.00 0.34 H new ATOM 0 HG23 VAL A 24 4.375 4.192 -7.888 1.00 0.34 H new ATOM 392 N GLY A 25 6.433 0.039 -7.861 1.00 0.30 N ATOM 393 CA GLY A 25 6.948 -1.353 -8.046 1.00 0.32 C ATOM 394 C GLY A 25 7.474 -1.872 -6.706 1.00 0.29 C ATOM 395 O GLY A 25 7.112 -2.947 -6.268 1.00 0.32 O ATOM 0 H GLY A 25 6.876 0.743 -8.452 1.00 0.30 H new ATOM 0 HA2 GLY A 25 6.154 -2.002 -8.416 1.00 0.32 H new ATOM 0 HA3 GLY A 25 7.742 -1.364 -8.792 1.00 0.32 H new ATOM 399 N ASP A 26 8.309 -1.099 -6.044 1.00 0.30 N ATOM 400 CA ASP A 26 8.851 -1.523 -4.714 1.00 0.30 C ATOM 401 C ASP A 26 7.688 -1.657 -3.721 1.00 0.27 C ATOM 402 O ASP A 26 7.672 -2.551 -2.892 1.00 0.30 O ATOM 403 CB ASP A 26 9.847 -0.474 -4.204 1.00 0.37 C ATOM 404 CG ASP A 26 10.570 -1.007 -2.961 1.00 0.49 C ATOM 405 OD1 ASP A 26 11.602 -1.638 -3.124 1.00 0.72 O ATOM 406 OD2 ASP A 26 10.081 -0.774 -1.867 1.00 0.65 O ATOM 0 H ASP A 26 8.637 -0.191 -6.371 1.00 0.30 H new ATOM 0 HA ASP A 26 9.363 -2.480 -4.813 1.00 0.30 H new ATOM 0 HB2 ASP A 26 10.571 -0.237 -4.984 1.00 0.37 H new ATOM 0 HB3 ASP A 26 9.324 0.451 -3.963 1.00 0.37 H new ATOM 411 N PHE A 27 6.713 -0.780 -3.812 1.00 0.26 N ATOM 412 CA PHE A 27 5.531 -0.844 -2.897 1.00 0.26 C ATOM 413 C PHE A 27 4.821 -2.193 -3.083 1.00 0.25 C ATOM 414 O PHE A 27 4.495 -2.870 -2.123 1.00 0.28 O ATOM 415 CB PHE A 27 4.566 0.298 -3.242 1.00 0.30 C ATOM 416 CG PHE A 27 3.504 0.413 -2.173 1.00 0.28 C ATOM 417 CD1 PHE A 27 3.805 1.010 -0.942 1.00 0.39 C ATOM 418 CD2 PHE A 27 2.216 -0.080 -2.414 1.00 0.42 C ATOM 419 CE1 PHE A 27 2.818 1.113 0.044 1.00 0.42 C ATOM 420 CE2 PHE A 27 1.231 0.024 -1.427 1.00 0.45 C ATOM 421 CZ PHE A 27 1.531 0.619 -0.200 1.00 0.36 C ATOM 0 H PHE A 27 6.688 -0.017 -4.488 1.00 0.26 H new ATOM 0 HA PHE A 27 5.857 -0.745 -1.862 1.00 0.26 H new ATOM 0 HB2 PHE A 27 5.114 1.237 -3.325 1.00 0.30 H new ATOM 0 HB3 PHE A 27 4.101 0.113 -4.211 1.00 0.30 H new ATOM 0 HD1 PHE A 27 4.798 1.390 -0.754 1.00 0.39 H new ATOM 0 HD2 PHE A 27 1.983 -0.541 -3.363 1.00 0.42 H new ATOM 0 HE1 PHE A 27 3.049 1.574 0.993 1.00 0.42 H new ATOM 0 HE2 PHE A 27 0.238 -0.356 -1.614 1.00 0.45 H new ATOM 0 HZ PHE A 27 0.769 0.698 0.562 1.00 0.36 H new ATOM 431 N LYS A 28 4.592 -2.587 -4.318 1.00 0.26 N ATOM 432 CA LYS A 28 3.915 -3.894 -4.589 1.00 0.29 C ATOM 433 C LYS A 28 4.853 -5.051 -4.217 1.00 0.27 C ATOM 434 O LYS A 28 4.407 -6.101 -3.798 1.00 0.33 O ATOM 435 CB LYS A 28 3.555 -3.991 -6.076 1.00 0.34 C ATOM 436 CG LYS A 28 2.339 -3.110 -6.366 1.00 0.41 C ATOM 437 CD LYS A 28 2.001 -3.170 -7.857 1.00 0.60 C ATOM 438 CE LYS A 28 0.725 -2.366 -8.125 1.00 0.60 C ATOM 439 NZ LYS A 28 0.731 -1.878 -9.534 1.00 0.92 N ATOM 0 H LYS A 28 4.847 -2.055 -5.150 1.00 0.26 H new ATOM 0 HA LYS A 28 3.007 -3.956 -3.990 1.00 0.29 H new ATOM 0 HB2 LYS A 28 4.400 -3.675 -6.687 1.00 0.34 H new ATOM 0 HB3 LYS A 28 3.339 -5.026 -6.342 1.00 0.34 H new ATOM 0 HG2 LYS A 28 1.486 -3.446 -5.776 1.00 0.41 H new ATOM 0 HG3 LYS A 28 2.545 -2.081 -6.071 1.00 0.41 H new ATOM 0 HD2 LYS A 28 2.827 -2.768 -8.444 1.00 0.60 H new ATOM 0 HD3 LYS A 28 1.863 -4.206 -8.168 1.00 0.60 H new ATOM 0 HE2 LYS A 28 -0.153 -2.987 -7.948 1.00 0.60 H new ATOM 0 HE3 LYS A 28 0.663 -1.523 -7.437 1.00 0.60 H new ATOM 0 HZ1 LYS A 28 0.626 -0.843 -9.544 1.00 0.92 H new ATOM 0 HZ2 LYS A 28 1.630 -2.139 -9.988 1.00 0.92 H new ATOM 0 HZ3 LYS A 28 -0.058 -2.311 -10.055 1.00 0.92 H new ATOM 453 N LYS A 29 6.147 -4.860 -4.364 1.00 0.26 N ATOM 454 CA LYS A 29 7.121 -5.942 -4.015 1.00 0.29 C ATOM 455 C LYS A 29 7.036 -6.244 -2.513 1.00 0.28 C ATOM 456 O LYS A 29 7.061 -7.392 -2.104 1.00 0.37 O ATOM 457 CB LYS A 29 8.545 -5.491 -4.359 1.00 0.34 C ATOM 458 CG LYS A 29 8.752 -5.533 -5.877 1.00 0.47 C ATOM 459 CD LYS A 29 10.116 -6.157 -6.188 1.00 1.26 C ATOM 460 CE LYS A 29 9.925 -7.581 -6.716 1.00 1.93 C ATOM 461 NZ LYS A 29 10.977 -8.471 -6.144 1.00 2.68 N ATOM 0 H LYS A 29 6.568 -3.998 -4.712 1.00 0.26 H new ATOM 0 HA LYS A 29 6.877 -6.839 -4.585 1.00 0.29 H new ATOM 0 HB2 LYS A 29 8.716 -4.481 -3.988 1.00 0.34 H new ATOM 0 HB3 LYS A 29 9.270 -6.139 -3.866 1.00 0.34 H new ATOM 0 HG2 LYS A 29 7.958 -6.114 -6.347 1.00 0.47 H new ATOM 0 HG3 LYS A 29 8.698 -4.526 -6.290 1.00 0.47 H new ATOM 0 HD2 LYS A 29 10.643 -5.553 -6.927 1.00 1.26 H new ATOM 0 HD3 LYS A 29 10.733 -6.172 -5.290 1.00 1.26 H new ATOM 0 HE2 LYS A 29 8.936 -7.950 -6.446 1.00 1.93 H new ATOM 0 HE3 LYS A 29 9.982 -7.587 -7.805 1.00 1.93 H new ATOM 0 HZ1 LYS A 29 10.846 -9.438 -6.503 1.00 2.68 H new ATOM 0 HZ2 LYS A 29 11.916 -8.122 -6.423 1.00 2.68 H new ATOM 0 HZ3 LYS A 29 10.903 -8.474 -5.107 1.00 2.68 H new ATOM 475 N VAL A 30 6.929 -5.222 -1.689 1.00 0.25 N ATOM 476 CA VAL A 30 6.834 -5.446 -0.210 1.00 0.27 C ATOM 477 C VAL A 30 5.483 -6.097 0.118 1.00 0.26 C ATOM 478 O VAL A 30 5.391 -6.936 0.996 1.00 0.34 O ATOM 479 CB VAL A 30 6.960 -4.105 0.533 1.00 0.31 C ATOM 480 CG1 VAL A 30 6.920 -4.345 2.047 1.00 0.37 C ATOM 481 CG2 VAL A 30 8.291 -3.436 0.171 1.00 0.35 C ATOM 0 H VAL A 30 6.904 -4.245 -1.979 1.00 0.25 H new ATOM 0 HA VAL A 30 7.643 -6.103 0.109 1.00 0.27 H new ATOM 0 HB VAL A 30 6.131 -3.460 0.241 1.00 0.31 H new ATOM 0 HG11 VAL A 30 7.010 -3.392 2.569 1.00 0.37 H new ATOM 0 HG12 VAL A 30 5.976 -4.818 2.316 1.00 0.37 H new ATOM 0 HG13 VAL A 30 7.746 -4.995 2.334 1.00 0.37 H new ATOM 0 HG21 VAL A 30 8.376 -2.486 0.699 1.00 0.35 H new ATOM 0 HG22 VAL A 30 9.116 -4.087 0.460 1.00 0.35 H new ATOM 0 HG23 VAL A 30 8.328 -3.258 -0.904 1.00 0.35 H new ATOM 491 N LEU A 31 4.435 -5.720 -0.585 1.00 0.24 N ATOM 492 CA LEU A 31 3.089 -6.320 -0.323 1.00 0.27 C ATOM 493 C LEU A 31 3.079 -7.785 -0.775 1.00 0.29 C ATOM 494 O LEU A 31 2.696 -8.662 -0.029 1.00 0.30 O ATOM 495 CB LEU A 31 2.016 -5.545 -1.098 1.00 0.32 C ATOM 496 CG LEU A 31 1.498 -4.384 -0.246 1.00 0.36 C ATOM 497 CD1 LEU A 31 1.040 -3.245 -1.159 1.00 0.54 C ATOM 498 CD2 LEU A 31 0.316 -4.859 0.605 1.00 0.59 C ATOM 0 H LEU A 31 4.458 -5.022 -1.328 1.00 0.24 H new ATOM 0 HA LEU A 31 2.877 -6.266 0.745 1.00 0.27 H new ATOM 0 HB2 LEU A 31 2.431 -5.166 -2.032 1.00 0.32 H new ATOM 0 HB3 LEU A 31 1.193 -6.210 -1.362 1.00 0.32 H new ATOM 0 HG LEU A 31 2.297 -4.030 0.406 1.00 0.36 H new ATOM 0 HD11 LEU A 31 0.671 -2.418 -0.552 1.00 0.54 H new ATOM 0 HD12 LEU A 31 1.880 -2.904 -1.765 1.00 0.54 H new ATOM 0 HD13 LEU A 31 0.242 -3.600 -1.812 1.00 0.54 H new ATOM 0 HD21 LEU A 31 -0.052 -4.031 1.211 1.00 0.59 H new ATOM 0 HD22 LEU A 31 -0.482 -5.214 -0.047 1.00 0.59 H new ATOM 0 HD23 LEU A 31 0.640 -5.670 1.257 1.00 0.59 H new ATOM 510 N SER A 32 3.495 -8.046 -1.996 1.00 0.33 N ATOM 511 CA SER A 32 3.513 -9.452 -2.529 1.00 0.37 C ATOM 512 C SER A 32 4.242 -10.408 -1.565 1.00 0.37 C ATOM 513 O SER A 32 4.031 -11.605 -1.612 1.00 0.44 O ATOM 514 CB SER A 32 4.210 -9.472 -3.894 1.00 0.44 C ATOM 515 OG SER A 32 5.515 -8.917 -3.778 1.00 0.53 O ATOM 0 H SER A 32 3.826 -7.339 -2.652 1.00 0.33 H new ATOM 0 HA SER A 32 2.482 -9.791 -2.630 1.00 0.37 H new ATOM 0 HB2 SER A 32 4.272 -10.495 -4.266 1.00 0.44 H new ATOM 0 HB3 SER A 32 3.627 -8.904 -4.619 1.00 0.44 H new ATOM 0 HG SER A 32 5.626 -8.526 -2.886 1.00 0.53 H new ATOM 521 N LEU A 33 5.093 -9.902 -0.700 1.00 0.36 N ATOM 522 CA LEU A 33 5.820 -10.796 0.254 1.00 0.40 C ATOM 523 C LEU A 33 4.871 -11.261 1.372 1.00 0.38 C ATOM 524 O LEU A 33 4.885 -12.416 1.759 1.00 0.42 O ATOM 525 CB LEU A 33 6.999 -10.037 0.873 1.00 0.47 C ATOM 526 CG LEU A 33 8.169 -10.011 -0.114 1.00 0.53 C ATOM 527 CD1 LEU A 33 9.051 -8.792 0.170 1.00 0.67 C ATOM 528 CD2 LEU A 33 8.999 -11.289 0.041 1.00 0.75 C ATOM 0 H LEU A 33 5.313 -8.910 -0.616 1.00 0.36 H new ATOM 0 HA LEU A 33 6.188 -11.667 -0.289 1.00 0.40 H new ATOM 0 HB2 LEU A 33 6.698 -9.020 1.123 1.00 0.47 H new ATOM 0 HB3 LEU A 33 7.305 -10.516 1.803 1.00 0.47 H new ATOM 0 HG LEU A 33 7.783 -9.951 -1.131 1.00 0.53 H new ATOM 0 HD11 LEU A 33 9.884 -8.774 -0.533 1.00 0.67 H new ATOM 0 HD12 LEU A 33 8.461 -7.882 0.058 1.00 0.67 H new ATOM 0 HD13 LEU A 33 9.436 -8.851 1.188 1.00 0.67 H new ATOM 0 HD21 LEU A 33 9.832 -11.270 -0.662 1.00 0.75 H new ATOM 0 HD22 LEU A 33 9.385 -11.351 1.059 1.00 0.75 H new ATOM 0 HD23 LEU A 33 8.372 -12.157 -0.163 1.00 0.75 H new ATOM 540 N GLN A 34 4.060 -10.370 1.902 1.00 0.35 N ATOM 541 CA GLN A 34 3.122 -10.754 3.009 1.00 0.39 C ATOM 542 C GLN A 34 1.835 -11.400 2.458 1.00 0.38 C ATOM 543 O GLN A 34 1.285 -12.295 3.076 1.00 0.48 O ATOM 544 CB GLN A 34 2.770 -9.514 3.849 1.00 0.43 C ATOM 545 CG GLN A 34 2.037 -8.473 2.994 1.00 0.40 C ATOM 546 CD GLN A 34 1.782 -7.216 3.830 1.00 0.45 C ATOM 547 OE1 GLN A 34 0.966 -7.226 4.731 1.00 0.67 O ATOM 548 NE2 GLN A 34 2.450 -6.124 3.570 1.00 0.51 N ATOM 0 H GLN A 34 4.008 -9.393 1.614 1.00 0.35 H new ATOM 0 HA GLN A 34 3.624 -11.490 3.637 1.00 0.39 H new ATOM 0 HB2 GLN A 34 2.144 -9.805 4.693 1.00 0.43 H new ATOM 0 HB3 GLN A 34 3.679 -9.078 4.262 1.00 0.43 H new ATOM 0 HG2 GLN A 34 2.632 -8.224 2.115 1.00 0.40 H new ATOM 0 HG3 GLN A 34 1.093 -8.882 2.634 1.00 0.40 H new ATOM 0 HE21 GLN A 34 3.135 -6.113 2.815 1.00 0.51 H new ATOM 0 HE22 GLN A 34 2.286 -5.282 4.122 1.00 0.51 H new ATOM 557 N ILE A 35 1.347 -10.964 1.315 1.00 0.35 N ATOM 558 CA ILE A 35 0.087 -11.571 0.752 1.00 0.39 C ATOM 559 C ILE A 35 0.425 -12.726 -0.202 1.00 0.41 C ATOM 560 O ILE A 35 -0.372 -13.630 -0.384 1.00 0.58 O ATOM 561 CB ILE A 35 -0.756 -10.521 -0.005 1.00 0.36 C ATOM 562 CG1 ILE A 35 0.146 -9.473 -0.666 1.00 0.33 C ATOM 563 CG2 ILE A 35 -1.708 -9.826 0.969 1.00 0.42 C ATOM 564 CD1 ILE A 35 -0.675 -8.607 -1.625 1.00 0.39 C ATOM 0 H ILE A 35 1.761 -10.221 0.751 1.00 0.35 H new ATOM 0 HA ILE A 35 -0.495 -11.948 1.593 1.00 0.39 H new ATOM 0 HB ILE A 35 -1.326 -11.032 -0.781 1.00 0.36 H new ATOM 0 HG12 ILE A 35 0.609 -8.847 0.096 1.00 0.33 H new ATOM 0 HG13 ILE A 35 0.953 -9.966 -1.208 1.00 0.33 H new ATOM 0 HG21 ILE A 35 -2.301 -9.086 0.432 1.00 0.42 H new ATOM 0 HG22 ILE A 35 -2.371 -10.565 1.420 1.00 0.42 H new ATOM 0 HG23 ILE A 35 -1.131 -9.331 1.751 1.00 0.42 H new ATOM 0 HD11 ILE A 35 -0.027 -7.865 -2.091 1.00 0.39 H new ATOM 0 HD12 ILE A 35 -1.117 -9.237 -2.396 1.00 0.39 H new ATOM 0 HD13 ILE A 35 -1.466 -8.101 -1.072 1.00 0.39 H new ATOM 576 N GLY A 36 1.586 -12.702 -0.817 1.00 0.36 N ATOM 577 CA GLY A 36 1.960 -13.796 -1.768 1.00 0.41 C ATOM 578 C GLY A 36 1.129 -13.654 -3.046 1.00 0.39 C ATOM 579 O GLY A 36 0.636 -14.626 -3.589 1.00 0.48 O ATOM 0 H GLY A 36 2.289 -11.972 -0.700 1.00 0.36 H new ATOM 0 HA2 GLY A 36 3.023 -13.743 -2.003 1.00 0.41 H new ATOM 0 HA3 GLY A 36 1.783 -14.769 -1.310 1.00 0.41 H new ATOM 583 N THR A 37 0.969 -12.441 -3.519 1.00 0.36 N ATOM 584 CA THR A 37 0.165 -12.196 -4.758 1.00 0.37 C ATOM 585 C THR A 37 1.087 -11.745 -5.905 1.00 0.39 C ATOM 586 O THR A 37 0.648 -11.624 -7.035 1.00 0.46 O ATOM 587 CB THR A 37 -0.873 -11.096 -4.473 1.00 0.34 C ATOM 588 OG1 THR A 37 -1.379 -11.240 -3.150 1.00 0.40 O ATOM 589 CG2 THR A 37 -2.032 -11.198 -5.465 1.00 0.43 C ATOM 0 H THR A 37 1.365 -11.602 -3.095 1.00 0.36 H new ATOM 0 HA THR A 37 -0.339 -13.117 -5.050 1.00 0.37 H new ATOM 0 HB THR A 37 -0.390 -10.125 -4.578 1.00 0.34 H new ATOM 0 HG1 THR A 37 -2.235 -10.769 -3.074 1.00 0.40 H new ATOM 0 HG21 THR A 37 -2.761 -10.415 -5.255 1.00 0.43 H new ATOM 0 HG22 THR A 37 -1.654 -11.078 -6.480 1.00 0.43 H new ATOM 0 HG23 THR A 37 -2.509 -12.173 -5.368 1.00 0.43 H new ATOM 597 N GLN A 38 2.353 -11.491 -5.622 1.00 0.40 N ATOM 598 CA GLN A 38 3.313 -11.037 -6.682 1.00 0.46 C ATOM 599 C GLN A 38 2.906 -9.643 -7.195 1.00 0.48 C ATOM 600 O GLN A 38 1.757 -9.257 -7.096 1.00 0.47 O ATOM 601 CB GLN A 38 3.325 -12.035 -7.851 1.00 0.51 C ATOM 602 CG GLN A 38 4.418 -13.082 -7.624 1.00 0.61 C ATOM 603 CD GLN A 38 3.819 -14.315 -6.942 1.00 1.31 C ATOM 604 OE1 GLN A 38 3.202 -15.139 -7.587 1.00 1.92 O ATOM 605 NE2 GLN A 38 3.977 -14.477 -5.656 1.00 2.09 N ATOM 0 H GLN A 38 2.761 -11.581 -4.691 1.00 0.40 H new ATOM 0 HA GLN A 38 4.312 -10.985 -6.250 1.00 0.46 H new ATOM 0 HB2 GLN A 38 2.354 -12.522 -7.936 1.00 0.51 H new ATOM 0 HB3 GLN A 38 3.501 -11.509 -8.789 1.00 0.51 H new ATOM 0 HG2 GLN A 38 4.868 -13.364 -8.576 1.00 0.61 H new ATOM 0 HG3 GLN A 38 5.213 -12.664 -7.007 1.00 0.61 H new ATOM 0 HE21 GLN A 38 4.495 -13.785 -5.115 1.00 2.09 H new ATOM 0 HE22 GLN A 38 3.582 -15.296 -5.193 1.00 2.09 H new ATOM 614 N PRO A 39 3.865 -8.931 -7.738 1.00 0.58 N ATOM 615 CA PRO A 39 3.634 -7.578 -8.285 1.00 0.67 C ATOM 616 C PRO A 39 2.877 -7.654 -9.620 1.00 0.71 C ATOM 617 O PRO A 39 2.314 -6.675 -10.076 1.00 0.86 O ATOM 618 CB PRO A 39 5.048 -7.019 -8.474 1.00 0.80 C ATOM 619 CG PRO A 39 5.992 -8.240 -8.558 1.00 0.79 C ATOM 620 CD PRO A 39 5.260 -9.405 -7.867 1.00 0.65 C ATOM 0 HA PRO A 39 3.022 -6.952 -7.636 1.00 0.67 H new ATOM 0 HB2 PRO A 39 5.110 -6.417 -9.381 1.00 0.80 H new ATOM 0 HB3 PRO A 39 5.324 -6.371 -7.642 1.00 0.80 H new ATOM 0 HG2 PRO A 39 6.219 -8.485 -9.596 1.00 0.79 H new ATOM 0 HG3 PRO A 39 6.942 -8.031 -8.065 1.00 0.79 H new ATOM 0 HD2 PRO A 39 5.317 -10.318 -8.459 1.00 0.65 H new ATOM 0 HD3 PRO A 39 5.696 -9.628 -6.893 1.00 0.65 H new ATOM 628 N ASN A 40 2.856 -8.813 -10.244 1.00 0.67 N ATOM 629 CA ASN A 40 2.136 -8.966 -11.543 1.00 0.75 C ATOM 630 C ASN A 40 0.637 -9.214 -11.297 1.00 0.69 C ATOM 631 O ASN A 40 -0.182 -8.956 -12.161 1.00 0.80 O ATOM 632 CB ASN A 40 2.738 -10.145 -12.316 1.00 0.86 C ATOM 633 CG ASN A 40 4.137 -9.766 -12.814 1.00 1.08 C ATOM 634 OD1 ASN A 40 4.286 -9.237 -13.897 1.00 1.37 O ATOM 635 ND2 ASN A 40 5.177 -10.012 -12.060 1.00 1.23 N ATOM 0 H ASN A 40 3.310 -9.660 -9.903 1.00 0.67 H new ATOM 0 HA ASN A 40 2.245 -8.050 -12.124 1.00 0.75 H new ATOM 0 HB2 ASN A 40 2.794 -11.024 -11.674 1.00 0.86 H new ATOM 0 HB3 ASN A 40 2.098 -10.406 -13.159 1.00 0.86 H new ATOM 0 HD21 ASN A 40 6.111 -9.760 -12.382 1.00 1.23 H new ATOM 0 HD22 ASN A 40 5.054 -10.456 -11.150 1.00 1.23 H new ATOM 642 N LYS A 41 0.268 -9.705 -10.129 1.00 0.56 N ATOM 643 CA LYS A 41 -1.180 -9.959 -9.841 1.00 0.54 C ATOM 644 C LYS A 41 -1.722 -8.911 -8.851 1.00 0.45 C ATOM 645 O LYS A 41 -2.865 -8.985 -8.435 1.00 0.50 O ATOM 646 CB LYS A 41 -1.345 -11.361 -9.247 1.00 0.58 C ATOM 647 CG LYS A 41 -2.331 -12.168 -10.100 1.00 0.61 C ATOM 648 CD LYS A 41 -3.747 -12.025 -9.532 1.00 0.95 C ATOM 649 CE LYS A 41 -4.465 -13.376 -9.603 1.00 1.20 C ATOM 650 NZ LYS A 41 -5.901 -13.165 -9.948 1.00 1.94 N ATOM 0 H LYS A 41 0.907 -9.938 -9.369 1.00 0.56 H new ATOM 0 HA LYS A 41 -1.743 -9.886 -10.772 1.00 0.54 H new ATOM 0 HB2 LYS A 41 -0.380 -11.867 -9.211 1.00 0.58 H new ATOM 0 HB3 LYS A 41 -1.707 -11.292 -8.221 1.00 0.58 H new ATOM 0 HG2 LYS A 41 -2.306 -11.817 -11.131 1.00 0.61 H new ATOM 0 HG3 LYS A 41 -2.039 -13.218 -10.114 1.00 0.61 H new ATOM 0 HD2 LYS A 41 -3.703 -11.679 -8.499 1.00 0.95 H new ATOM 0 HD3 LYS A 41 -4.303 -11.276 -10.096 1.00 0.95 H new ATOM 0 HE2 LYS A 41 -3.991 -14.012 -10.351 1.00 1.20 H new ATOM 0 HE3 LYS A 41 -4.383 -13.893 -8.647 1.00 1.20 H new ATOM 0 HZ1 LYS A 41 -6.385 -14.084 -9.995 1.00 1.94 H new ATOM 0 HZ2 LYS A 41 -6.350 -12.574 -9.219 1.00 1.94 H new ATOM 0 HZ3 LYS A 41 -5.970 -12.689 -10.870 1.00 1.94 H new ATOM 664 N ILE A 42 -0.920 -7.936 -8.470 1.00 0.41 N ATOM 665 CA ILE A 42 -1.401 -6.894 -7.510 1.00 0.33 C ATOM 666 C ILE A 42 -1.672 -5.582 -8.260 1.00 0.32 C ATOM 667 O ILE A 42 -0.853 -5.114 -9.032 1.00 0.45 O ATOM 668 CB ILE A 42 -0.343 -6.664 -6.421 1.00 0.34 C ATOM 669 CG1 ILE A 42 -0.288 -7.887 -5.499 1.00 0.36 C ATOM 670 CG2 ILE A 42 -0.713 -5.427 -5.595 1.00 0.39 C ATOM 671 CD1 ILE A 42 0.987 -7.843 -4.653 1.00 0.44 C ATOM 0 H ILE A 42 0.044 -7.822 -8.784 1.00 0.41 H new ATOM 0 HA ILE A 42 -2.325 -7.235 -7.044 1.00 0.33 H new ATOM 0 HB ILE A 42 0.629 -6.511 -6.890 1.00 0.34 H new ATOM 0 HG12 ILE A 42 -1.164 -7.905 -4.851 1.00 0.36 H new ATOM 0 HG13 ILE A 42 -0.311 -8.802 -6.091 1.00 0.36 H new ATOM 0 HG21 ILE A 42 0.040 -5.266 -4.823 1.00 0.39 H new ATOM 0 HG22 ILE A 42 -0.757 -4.554 -6.246 1.00 0.39 H new ATOM 0 HG23 ILE A 42 -1.686 -5.579 -5.127 1.00 0.39 H new ATOM 0 HD11 ILE A 42 1.020 -8.715 -4.000 1.00 0.44 H new ATOM 0 HD12 ILE A 42 1.858 -7.847 -5.308 1.00 0.44 H new ATOM 0 HD13 ILE A 42 0.991 -6.936 -4.048 1.00 0.44 H new ATOM 683 N VAL A 43 -2.819 -4.991 -8.020 1.00 0.28 N ATOM 684 CA VAL A 43 -3.181 -3.705 -8.689 1.00 0.29 C ATOM 685 C VAL A 43 -3.504 -2.663 -7.607 1.00 0.27 C ATOM 686 O VAL A 43 -4.506 -2.762 -6.920 1.00 0.36 O ATOM 687 CB VAL A 43 -4.409 -3.919 -9.588 1.00 0.36 C ATOM 688 CG1 VAL A 43 -4.781 -2.604 -10.280 1.00 0.44 C ATOM 689 CG2 VAL A 43 -4.094 -4.980 -10.650 1.00 0.45 C ATOM 0 H VAL A 43 -3.527 -5.352 -7.380 1.00 0.28 H new ATOM 0 HA VAL A 43 -2.351 -3.357 -9.303 1.00 0.29 H new ATOM 0 HB VAL A 43 -5.245 -4.255 -8.974 1.00 0.36 H new ATOM 0 HG11 VAL A 43 -5.652 -2.761 -10.916 1.00 0.44 H new ATOM 0 HG12 VAL A 43 -5.012 -1.850 -9.528 1.00 0.44 H new ATOM 0 HG13 VAL A 43 -3.944 -2.264 -10.889 1.00 0.44 H new ATOM 0 HG21 VAL A 43 -4.967 -5.129 -11.285 1.00 0.45 H new ATOM 0 HG22 VAL A 43 -3.254 -4.647 -11.260 1.00 0.45 H new ATOM 0 HG23 VAL A 43 -3.837 -5.919 -10.161 1.00 0.45 H new ATOM 699 N LEU A 44 -2.657 -1.673 -7.444 1.00 0.26 N ATOM 700 CA LEU A 44 -2.905 -0.629 -6.399 1.00 0.26 C ATOM 701 C LEU A 44 -3.531 0.619 -7.033 1.00 0.26 C ATOM 702 O LEU A 44 -3.292 0.928 -8.187 1.00 0.30 O ATOM 703 CB LEU A 44 -1.581 -0.249 -5.730 1.00 0.30 C ATOM 704 CG LEU A 44 -1.585 -0.729 -4.276 1.00 0.40 C ATOM 705 CD1 LEU A 44 -0.477 -1.765 -4.076 1.00 0.50 C ATOM 706 CD2 LEU A 44 -1.346 0.464 -3.346 1.00 0.51 C ATOM 0 H LEU A 44 -1.805 -1.543 -7.990 1.00 0.26 H new ATOM 0 HA LEU A 44 -3.592 -1.032 -5.655 1.00 0.26 H new ATOM 0 HB2 LEU A 44 -0.747 -0.698 -6.270 1.00 0.30 H new ATOM 0 HB3 LEU A 44 -1.440 0.831 -5.767 1.00 0.30 H new ATOM 0 HG LEU A 44 -2.549 -1.183 -4.045 1.00 0.40 H new ATOM 0 HD11 LEU A 44 -0.480 -2.106 -3.041 1.00 0.50 H new ATOM 0 HD12 LEU A 44 -0.648 -2.614 -4.738 1.00 0.50 H new ATOM 0 HD13 LEU A 44 0.488 -1.314 -4.306 1.00 0.50 H new ATOM 0 HD21 LEU A 44 -1.349 0.124 -2.310 1.00 0.51 H new ATOM 0 HD22 LEU A 44 -0.382 0.918 -3.577 1.00 0.51 H new ATOM 0 HD23 LEU A 44 -2.137 1.200 -3.488 1.00 0.51 H new ATOM 718 N GLN A 45 -4.331 1.336 -6.276 1.00 0.29 N ATOM 719 CA GLN A 45 -4.984 2.573 -6.807 1.00 0.32 C ATOM 720 C GLN A 45 -4.926 3.679 -5.742 1.00 0.34 C ATOM 721 O GLN A 45 -5.025 3.415 -4.556 1.00 0.43 O ATOM 722 CB GLN A 45 -6.452 2.282 -7.156 1.00 0.38 C ATOM 723 CG GLN A 45 -6.558 0.970 -7.942 1.00 0.44 C ATOM 724 CD GLN A 45 -7.817 0.994 -8.814 1.00 0.58 C ATOM 725 OE1 GLN A 45 -8.885 0.622 -8.368 1.00 0.90 O ATOM 726 NE2 GLN A 45 -7.735 1.418 -10.047 1.00 0.89 N ATOM 0 H GLN A 45 -4.559 1.114 -5.307 1.00 0.29 H new ATOM 0 HA GLN A 45 -4.458 2.897 -7.705 1.00 0.32 H new ATOM 0 HB2 GLN A 45 -7.045 2.217 -6.243 1.00 0.38 H new ATOM 0 HB3 GLN A 45 -6.863 3.102 -7.745 1.00 0.38 H new ATOM 0 HG2 GLN A 45 -5.674 0.835 -8.565 1.00 0.44 H new ATOM 0 HG3 GLN A 45 -6.595 0.125 -7.255 1.00 0.44 H new ATOM 0 HE21 GLN A 45 -6.839 1.730 -10.420 1.00 0.89 H new ATOM 0 HE22 GLN A 45 -8.567 1.437 -10.636 1.00 0.89 H new ATOM 735 N LYS A 46 -4.770 4.916 -6.159 1.00 0.38 N ATOM 736 CA LYS A 46 -4.709 6.046 -5.179 1.00 0.44 C ATOM 737 C LYS A 46 -6.129 6.575 -4.922 1.00 0.50 C ATOM 738 O LYS A 46 -6.627 6.519 -3.811 1.00 0.68 O ATOM 739 CB LYS A 46 -3.833 7.170 -5.746 1.00 0.43 C ATOM 740 CG LYS A 46 -2.493 7.210 -5.002 1.00 0.56 C ATOM 741 CD LYS A 46 -2.599 8.175 -3.817 1.00 0.58 C ATOM 742 CE LYS A 46 -1.804 7.630 -2.626 1.00 0.91 C ATOM 743 NZ LYS A 46 -2.447 8.065 -1.353 1.00 0.92 N ATOM 0 H LYS A 46 -4.682 5.190 -7.138 1.00 0.38 H new ATOM 0 HA LYS A 46 -4.279 5.694 -4.242 1.00 0.44 H new ATOM 0 HB2 LYS A 46 -3.664 7.009 -6.811 1.00 0.43 H new ATOM 0 HB3 LYS A 46 -4.344 8.128 -5.645 1.00 0.43 H new ATOM 0 HG2 LYS A 46 -2.229 6.212 -4.651 1.00 0.56 H new ATOM 0 HG3 LYS A 46 -1.699 7.530 -5.677 1.00 0.56 H new ATOM 0 HD2 LYS A 46 -2.218 9.156 -4.101 1.00 0.58 H new ATOM 0 HD3 LYS A 46 -3.644 8.307 -3.537 1.00 0.58 H new ATOM 0 HE2 LYS A 46 -1.763 6.542 -2.671 1.00 0.91 H new ATOM 0 HE3 LYS A 46 -0.776 7.990 -2.667 1.00 0.91 H new ATOM 0 HZ1 LYS A 46 -1.906 7.694 -0.546 1.00 0.92 H new ATOM 0 HZ2 LYS A 46 -2.464 9.104 -1.310 1.00 0.92 H new ATOM 0 HZ3 LYS A 46 -3.420 7.701 -1.314 1.00 0.92 H new ATOM 757 N GLY A 47 -6.780 7.082 -5.945 1.00 0.55 N ATOM 758 CA GLY A 47 -8.169 7.615 -5.784 1.00 0.72 C ATOM 759 C GLY A 47 -8.903 7.516 -7.123 1.00 0.70 C ATOM 760 O GLY A 47 -9.219 8.516 -7.743 1.00 0.90 O ATOM 0 H GLY A 47 -6.404 7.149 -6.891 1.00 0.55 H new ATOM 0 HA2 GLY A 47 -8.702 7.049 -5.020 1.00 0.72 H new ATOM 0 HA3 GLY A 47 -8.137 8.652 -5.449 1.00 0.72 H new ATOM 764 N GLY A 48 -9.163 6.313 -7.575 1.00 0.64 N ATOM 765 CA GLY A 48 -9.863 6.123 -8.881 1.00 0.68 C ATOM 766 C GLY A 48 -8.833 5.989 -10.017 1.00 0.65 C ATOM 767 O GLY A 48 -9.193 5.959 -11.180 1.00 1.01 O ATOM 0 H GLY A 48 -8.918 5.450 -7.090 1.00 0.64 H new ATOM 0 HA2 GLY A 48 -10.490 5.232 -8.841 1.00 0.68 H new ATOM 0 HA3 GLY A 48 -10.523 6.968 -9.075 1.00 0.68 H new ATOM 771 N SER A 49 -7.559 5.905 -9.689 1.00 0.45 N ATOM 772 CA SER A 49 -6.507 5.767 -10.742 1.00 0.41 C ATOM 773 C SER A 49 -5.538 4.646 -10.345 1.00 0.36 C ATOM 774 O SER A 49 -5.207 4.483 -9.183 1.00 0.37 O ATOM 775 CB SER A 49 -5.745 7.090 -10.889 1.00 0.43 C ATOM 776 OG SER A 49 -5.184 7.467 -9.635 1.00 0.51 O ATOM 0 H SER A 49 -7.207 5.927 -8.732 1.00 0.45 H new ATOM 0 HA SER A 49 -6.974 5.521 -11.696 1.00 0.41 H new ATOM 0 HB2 SER A 49 -4.956 6.985 -11.634 1.00 0.43 H new ATOM 0 HB3 SER A 49 -6.418 7.870 -11.246 1.00 0.43 H new ATOM 0 HG SER A 49 -4.697 8.312 -9.735 1.00 0.51 H new ATOM 782 N VAL A 50 -5.088 3.870 -11.302 1.00 0.36 N ATOM 783 CA VAL A 50 -4.147 2.748 -10.991 1.00 0.35 C ATOM 784 C VAL A 50 -2.721 3.294 -10.814 1.00 0.31 C ATOM 785 O VAL A 50 -2.303 4.209 -11.503 1.00 0.36 O ATOM 786 CB VAL A 50 -4.181 1.719 -12.134 1.00 0.42 C ATOM 787 CG1 VAL A 50 -3.600 2.329 -13.415 1.00 0.47 C ATOM 788 CG2 VAL A 50 -3.362 0.485 -11.736 1.00 0.48 C ATOM 0 H VAL A 50 -5.333 3.966 -12.288 1.00 0.36 H new ATOM 0 HA VAL A 50 -4.454 2.264 -10.064 1.00 0.35 H new ATOM 0 HB VAL A 50 -5.215 1.429 -12.319 1.00 0.42 H new ATOM 0 HG11 VAL A 50 -3.630 1.590 -14.216 1.00 0.47 H new ATOM 0 HG12 VAL A 50 -4.189 3.200 -13.703 1.00 0.47 H new ATOM 0 HG13 VAL A 50 -2.568 2.631 -13.238 1.00 0.47 H new ATOM 0 HG21 VAL A 50 -3.386 -0.244 -12.546 1.00 0.48 H new ATOM 0 HG22 VAL A 50 -2.330 0.780 -11.543 1.00 0.48 H new ATOM 0 HG23 VAL A 50 -3.787 0.041 -10.836 1.00 0.48 H new ATOM 798 N LEU A 51 -1.977 2.734 -9.889 1.00 0.30 N ATOM 799 CA LEU A 51 -0.579 3.207 -9.651 1.00 0.30 C ATOM 800 C LEU A 51 0.391 2.367 -10.489 1.00 0.32 C ATOM 801 O LEU A 51 0.440 1.155 -10.371 1.00 0.46 O ATOM 802 CB LEU A 51 -0.229 3.075 -8.161 1.00 0.34 C ATOM 803 CG LEU A 51 -1.338 3.701 -7.301 1.00 0.33 C ATOM 804 CD1 LEU A 51 -0.985 3.548 -5.820 1.00 0.40 C ATOM 805 CD2 LEU A 51 -1.483 5.190 -7.634 1.00 0.33 C ATOM 0 H LEU A 51 -2.280 1.968 -9.288 1.00 0.30 H new ATOM 0 HA LEU A 51 -0.497 4.254 -9.942 1.00 0.30 H new ATOM 0 HB2 LEU A 51 -0.105 2.024 -7.900 1.00 0.34 H new ATOM 0 HB3 LEU A 51 0.722 3.568 -7.958 1.00 0.34 H new ATOM 0 HG LEU A 51 -2.279 3.192 -7.510 1.00 0.33 H new ATOM 0 HD11 LEU A 51 -1.772 3.992 -5.211 1.00 0.40 H new ATOM 0 HD12 LEU A 51 -0.891 2.490 -5.576 1.00 0.40 H new ATOM 0 HD13 LEU A 51 -0.040 4.053 -5.617 1.00 0.40 H new ATOM 0 HD21 LEU A 51 -2.271 5.625 -7.020 1.00 0.33 H new ATOM 0 HD22 LEU A 51 -0.542 5.701 -7.432 1.00 0.33 H new ATOM 0 HD23 LEU A 51 -1.739 5.304 -8.687 1.00 0.33 H new ATOM 817 N LYS A 52 1.154 3.010 -11.342 1.00 0.32 N ATOM 818 CA LYS A 52 2.124 2.273 -12.210 1.00 0.36 C ATOM 819 C LYS A 52 3.456 2.091 -11.475 1.00 0.35 C ATOM 820 O LYS A 52 3.919 2.979 -10.785 1.00 0.34 O ATOM 821 CB LYS A 52 2.358 3.068 -13.498 1.00 0.42 C ATOM 822 CG LYS A 52 1.971 2.211 -14.705 1.00 0.94 C ATOM 823 CD LYS A 52 2.322 2.955 -15.994 1.00 1.22 C ATOM 824 CE LYS A 52 1.194 3.932 -16.344 1.00 2.16 C ATOM 825 NZ LYS A 52 1.655 5.337 -16.136 1.00 2.70 N ATOM 0 H LYS A 52 1.145 4.021 -11.474 1.00 0.32 H new ATOM 0 HA LYS A 52 1.714 1.292 -12.451 1.00 0.36 H new ATOM 0 HB2 LYS A 52 1.767 3.984 -13.485 1.00 0.42 H new ATOM 0 HB3 LYS A 52 3.404 3.364 -13.570 1.00 0.42 H new ATOM 0 HG2 LYS A 52 2.496 1.256 -14.669 1.00 0.94 H new ATOM 0 HG3 LYS A 52 0.904 1.989 -14.680 1.00 0.94 H new ATOM 0 HD2 LYS A 52 3.260 3.496 -15.870 1.00 1.22 H new ATOM 0 HD3 LYS A 52 2.468 2.245 -16.808 1.00 1.22 H new ATOM 0 HE2 LYS A 52 0.887 3.790 -17.380 1.00 2.16 H new ATOM 0 HE3 LYS A 52 0.321 3.731 -15.723 1.00 2.16 H new ATOM 0 HZ1 LYS A 52 0.885 5.994 -16.375 1.00 2.70 H new ATOM 0 HZ2 LYS A 52 1.927 5.470 -15.141 1.00 2.70 H new ATOM 0 HZ3 LYS A 52 2.475 5.527 -16.747 1.00 2.70 H new ATOM 839 N ASP A 53 4.072 0.940 -11.632 1.00 0.39 N ATOM 840 CA ASP A 53 5.384 0.669 -10.954 1.00 0.40 C ATOM 841 C ASP A 53 6.442 1.684 -11.416 1.00 0.40 C ATOM 842 O ASP A 53 7.364 1.997 -10.686 1.00 0.44 O ATOM 843 CB ASP A 53 5.863 -0.750 -11.300 1.00 0.46 C ATOM 844 CG ASP A 53 4.726 -1.756 -11.072 1.00 0.50 C ATOM 845 OD1 ASP A 53 4.424 -2.032 -9.923 1.00 0.55 O ATOM 846 OD2 ASP A 53 4.177 -2.231 -12.053 1.00 0.65 O ATOM 0 H ASP A 53 3.720 0.172 -12.204 1.00 0.39 H new ATOM 0 HA ASP A 53 5.245 0.760 -9.877 1.00 0.40 H new ATOM 0 HB2 ASP A 53 6.192 -0.789 -12.338 1.00 0.46 H new ATOM 0 HB3 ASP A 53 6.722 -1.013 -10.683 1.00 0.46 H new ATOM 851 N HIS A 54 6.309 2.199 -12.619 1.00 0.40 N ATOM 852 CA HIS A 54 7.299 3.195 -13.142 1.00 0.43 C ATOM 853 C HIS A 54 7.172 4.528 -12.385 1.00 0.39 C ATOM 854 O HIS A 54 8.102 5.314 -12.356 1.00 0.45 O ATOM 855 CB HIS A 54 7.033 3.438 -14.632 1.00 0.48 C ATOM 856 CG HIS A 54 8.021 2.664 -15.459 1.00 0.98 C ATOM 857 ND1 HIS A 54 9.193 3.230 -15.930 1.00 1.57 N ATOM 858 CD2 HIS A 54 8.020 1.369 -15.911 1.00 1.58 C ATOM 859 CE1 HIS A 54 9.844 2.285 -16.633 1.00 2.05 C ATOM 860 NE2 HIS A 54 9.171 1.131 -16.654 1.00 2.07 N ATOM 0 H HIS A 54 5.552 1.969 -13.263 1.00 0.40 H new ATOM 0 HA HIS A 54 8.305 2.800 -12.998 1.00 0.43 H new ATOM 0 HB2 HIS A 54 6.017 3.134 -14.884 1.00 0.48 H new ATOM 0 HB3 HIS A 54 7.112 4.502 -14.856 1.00 0.48 H new ATOM 0 HD2 HIS A 54 7.243 0.644 -15.719 1.00 1.58 H new ATOM 0 HE1 HIS A 54 10.795 2.441 -17.121 1.00 2.05 H new ATOM 0 HE2 HIS A 54 9.443 0.263 -17.115 1.00 2.07 H new ATOM 868 N ILE A 55 6.035 4.791 -11.781 1.00 0.35 N ATOM 869 CA ILE A 55 5.848 6.076 -11.036 1.00 0.33 C ATOM 870 C ILE A 55 6.352 5.923 -9.596 1.00 0.32 C ATOM 871 O ILE A 55 6.255 4.862 -9.002 1.00 0.38 O ATOM 872 CB ILE A 55 4.361 6.453 -11.018 1.00 0.32 C ATOM 873 CG1 ILE A 55 3.789 6.422 -12.443 1.00 0.37 C ATOM 874 CG2 ILE A 55 4.194 7.861 -10.435 1.00 0.35 C ATOM 875 CD1 ILE A 55 4.633 7.306 -13.366 1.00 0.51 C ATOM 0 H ILE A 55 5.227 4.168 -11.773 1.00 0.35 H new ATOM 0 HA ILE A 55 6.416 6.861 -11.535 1.00 0.33 H new ATOM 0 HB ILE A 55 3.823 5.733 -10.401 1.00 0.32 H new ATOM 0 HG12 ILE A 55 3.778 5.398 -12.817 1.00 0.37 H new ATOM 0 HG13 ILE A 55 2.756 6.770 -12.437 1.00 0.37 H new ATOM 0 HG21 ILE A 55 3.137 8.127 -10.423 1.00 0.35 H new ATOM 0 HG22 ILE A 55 4.585 7.882 -9.418 1.00 0.35 H new ATOM 0 HG23 ILE A 55 4.741 8.576 -11.049 1.00 0.35 H new ATOM 0 HD11 ILE A 55 4.220 7.278 -14.374 1.00 0.51 H new ATOM 0 HD12 ILE A 55 4.622 8.332 -12.998 1.00 0.51 H new ATOM 0 HD13 ILE A 55 5.659 6.938 -13.384 1.00 0.51 H new ATOM 887 N SER A 56 6.880 6.984 -9.032 1.00 0.33 N ATOM 888 CA SER A 56 7.388 6.926 -7.628 1.00 0.34 C ATOM 889 C SER A 56 6.238 7.209 -6.652 1.00 0.32 C ATOM 890 O SER A 56 5.297 7.914 -6.976 1.00 0.35 O ATOM 891 CB SER A 56 8.488 7.972 -7.433 1.00 0.38 C ATOM 892 OG SER A 56 9.452 7.473 -6.514 1.00 0.52 O ATOM 0 H SER A 56 6.980 7.891 -9.488 1.00 0.33 H new ATOM 0 HA SER A 56 7.794 5.933 -7.435 1.00 0.34 H new ATOM 0 HB2 SER A 56 8.962 8.200 -8.387 1.00 0.38 H new ATOM 0 HB3 SER A 56 8.060 8.902 -7.059 1.00 0.38 H new ATOM 0 HG SER A 56 10.159 8.140 -6.388 1.00 0.52 H new ATOM 898 N LEU A 57 6.315 6.672 -5.454 1.00 0.32 N ATOM 899 CA LEU A 57 5.236 6.910 -4.442 1.00 0.32 C ATOM 900 C LEU A 57 5.127 8.415 -4.159 1.00 0.33 C ATOM 901 O LEU A 57 4.045 8.936 -3.954 1.00 0.37 O ATOM 902 CB LEU A 57 5.567 6.164 -3.143 1.00 0.34 C ATOM 903 CG LEU A 57 5.442 4.652 -3.364 1.00 0.35 C ATOM 904 CD1 LEU A 57 6.062 3.909 -2.179 1.00 0.40 C ATOM 905 CD2 LEU A 57 3.963 4.267 -3.486 1.00 0.43 C ATOM 0 H LEU A 57 7.081 6.078 -5.135 1.00 0.32 H new ATOM 0 HA LEU A 57 4.287 6.542 -4.832 1.00 0.32 H new ATOM 0 HB2 LEU A 57 6.578 6.411 -2.819 1.00 0.34 H new ATOM 0 HB3 LEU A 57 4.891 6.481 -2.349 1.00 0.34 H new ATOM 0 HG LEU A 57 5.964 4.379 -4.281 1.00 0.35 H new ATOM 0 HD11 LEU A 57 5.973 2.834 -2.337 1.00 0.40 H new ATOM 0 HD12 LEU A 57 7.115 4.177 -2.092 1.00 0.40 H new ATOM 0 HD13 LEU A 57 5.540 4.186 -1.263 1.00 0.40 H new ATOM 0 HD21 LEU A 57 3.879 3.192 -3.643 1.00 0.43 H new ATOM 0 HD22 LEU A 57 3.439 4.542 -2.571 1.00 0.43 H new ATOM 0 HD23 LEU A 57 3.519 4.793 -4.331 1.00 0.43 H new ATOM 917 N GLU A 58 6.243 9.115 -4.161 1.00 0.33 N ATOM 918 CA GLU A 58 6.221 10.591 -3.908 1.00 0.36 C ATOM 919 C GLU A 58 5.440 11.294 -5.029 1.00 0.38 C ATOM 920 O GLU A 58 4.750 12.268 -4.790 1.00 0.43 O ATOM 921 CB GLU A 58 7.657 11.128 -3.873 1.00 0.40 C ATOM 922 CG GLU A 58 7.940 11.750 -2.502 1.00 0.47 C ATOM 923 CD GLU A 58 9.453 11.811 -2.266 1.00 0.49 C ATOM 924 OE1 GLU A 58 10.057 12.797 -2.659 1.00 0.70 O ATOM 925 OE2 GLU A 58 9.984 10.873 -1.693 1.00 0.54 O ATOM 0 H GLU A 58 7.170 8.723 -4.328 1.00 0.33 H new ATOM 0 HA GLU A 58 5.737 10.785 -2.951 1.00 0.36 H new ATOM 0 HB2 GLU A 58 8.363 10.321 -4.070 1.00 0.40 H new ATOM 0 HB3 GLU A 58 7.797 11.872 -4.657 1.00 0.40 H new ATOM 0 HG2 GLU A 58 7.513 12.752 -2.451 1.00 0.47 H new ATOM 0 HG3 GLU A 58 7.463 11.160 -1.719 1.00 0.47 H new ATOM 932 N ASP A 59 5.540 10.800 -6.246 1.00 0.37 N ATOM 933 CA ASP A 59 4.798 11.429 -7.386 1.00 0.40 C ATOM 934 C ASP A 59 3.290 11.262 -7.164 1.00 0.37 C ATOM 935 O ASP A 59 2.527 12.198 -7.325 1.00 0.41 O ATOM 936 CB ASP A 59 5.199 10.747 -8.700 1.00 0.45 C ATOM 937 CG ASP A 59 6.583 11.237 -9.137 1.00 0.54 C ATOM 938 OD1 ASP A 59 6.645 12.251 -9.815 1.00 0.69 O ATOM 939 OD2 ASP A 59 7.557 10.590 -8.789 1.00 0.71 O ATOM 0 H ASP A 59 6.104 9.988 -6.496 1.00 0.37 H new ATOM 0 HA ASP A 59 5.045 12.489 -7.439 1.00 0.40 H new ATOM 0 HB2 ASP A 59 5.210 9.665 -8.570 1.00 0.45 H new ATOM 0 HB3 ASP A 59 4.464 10.967 -9.474 1.00 0.45 H new ATOM 944 N TYR A 60 2.864 10.079 -6.782 1.00 0.35 N ATOM 945 CA TYR A 60 1.408 9.835 -6.530 1.00 0.36 C ATOM 946 C TYR A 60 0.965 10.555 -5.244 1.00 0.36 C ATOM 947 O TYR A 60 -0.217 10.734 -5.011 1.00 0.42 O ATOM 948 CB TYR A 60 1.157 8.328 -6.386 1.00 0.37 C ATOM 949 CG TYR A 60 1.006 7.701 -7.755 1.00 0.32 C ATOM 950 CD1 TYR A 60 0.145 8.276 -8.701 1.00 0.36 C ATOM 951 CD2 TYR A 60 1.728 6.546 -8.078 1.00 0.31 C ATOM 952 CE1 TYR A 60 0.007 7.694 -9.966 1.00 0.35 C ATOM 953 CE2 TYR A 60 1.587 5.964 -9.344 1.00 0.30 C ATOM 954 CZ TYR A 60 0.729 6.539 -10.288 1.00 0.28 C ATOM 955 OH TYR A 60 0.592 5.964 -11.536 1.00 0.32 O ATOM 0 H TYR A 60 3.466 9.269 -6.634 1.00 0.35 H new ATOM 0 HA TYR A 60 0.833 10.223 -7.371 1.00 0.36 H new ATOM 0 HB2 TYR A 60 1.985 7.862 -5.851 1.00 0.37 H new ATOM 0 HB3 TYR A 60 0.258 8.155 -5.795 1.00 0.37 H new ATOM 0 HD1 TYR A 60 -0.411 9.168 -8.453 1.00 0.36 H new ATOM 0 HD2 TYR A 60 2.393 6.104 -7.351 1.00 0.31 H new ATOM 0 HE1 TYR A 60 -0.657 8.136 -10.694 1.00 0.35 H new ATOM 0 HE2 TYR A 60 2.141 5.071 -9.592 1.00 0.30 H new ATOM 0 HH TYR A 60 0.383 6.659 -12.195 1.00 0.32 H new ATOM 965 N GLU A 61 1.907 10.963 -4.413 1.00 0.36 N ATOM 966 CA GLU A 61 1.575 11.675 -3.138 1.00 0.42 C ATOM 967 C GLU A 61 1.055 10.668 -2.101 1.00 0.38 C ATOM 968 O GLU A 61 -0.113 10.652 -1.753 1.00 0.47 O ATOM 969 CB GLU A 61 0.527 12.772 -3.398 1.00 0.51 C ATOM 970 CG GLU A 61 1.047 14.114 -2.870 1.00 0.66 C ATOM 971 CD GLU A 61 2.037 14.715 -3.874 1.00 0.94 C ATOM 972 OE1 GLU A 61 1.587 15.351 -4.815 1.00 1.19 O ATOM 973 OE2 GLU A 61 3.228 14.531 -3.685 1.00 1.16 O ATOM 0 H GLU A 61 2.905 10.828 -4.573 1.00 0.36 H new ATOM 0 HA GLU A 61 2.476 12.148 -2.748 1.00 0.42 H new ATOM 0 HB2 GLU A 61 0.319 12.845 -4.466 1.00 0.51 H new ATOM 0 HB3 GLU A 61 -0.412 12.516 -2.908 1.00 0.51 H new ATOM 0 HG2 GLU A 61 0.215 14.800 -2.710 1.00 0.66 H new ATOM 0 HG3 GLU A 61 1.534 13.972 -1.905 1.00 0.66 H new ATOM 980 N VAL A 62 1.933 9.828 -1.603 1.00 0.35 N ATOM 981 CA VAL A 62 1.528 8.817 -0.579 1.00 0.33 C ATOM 982 C VAL A 62 1.899 9.352 0.810 1.00 0.33 C ATOM 983 O VAL A 62 3.063 9.503 1.137 1.00 0.52 O ATOM 984 CB VAL A 62 2.258 7.494 -0.849 1.00 0.35 C ATOM 985 CG1 VAL A 62 1.884 6.466 0.223 1.00 0.40 C ATOM 986 CG2 VAL A 62 1.852 6.959 -2.226 1.00 0.42 C ATOM 0 H VAL A 62 2.918 9.801 -1.865 1.00 0.35 H new ATOM 0 HA VAL A 62 0.454 8.640 -0.627 1.00 0.33 H new ATOM 0 HB VAL A 62 3.334 7.667 -0.824 1.00 0.35 H new ATOM 0 HG11 VAL A 62 2.405 5.529 0.026 1.00 0.40 H new ATOM 0 HG12 VAL A 62 2.172 6.842 1.204 1.00 0.40 H new ATOM 0 HG13 VAL A 62 0.808 6.294 0.202 1.00 0.40 H new ATOM 0 HG21 VAL A 62 2.370 6.019 -2.419 1.00 0.42 H new ATOM 0 HG22 VAL A 62 0.775 6.791 -2.248 1.00 0.42 H new ATOM 0 HG23 VAL A 62 2.121 7.686 -2.993 1.00 0.42 H new ATOM 996 N HIS A 63 0.911 9.656 1.620 1.00 0.29 N ATOM 997 CA HIS A 63 1.189 10.200 2.988 1.00 0.37 C ATOM 998 C HIS A 63 1.201 9.067 4.023 1.00 0.31 C ATOM 999 O HIS A 63 0.800 7.949 3.745 1.00 0.33 O ATOM 1000 CB HIS A 63 0.104 11.218 3.356 1.00 0.49 C ATOM 1001 CG HIS A 63 0.195 12.406 2.436 1.00 0.59 C ATOM 1002 ND1 HIS A 63 -0.465 12.448 1.218 1.00 0.70 N ATOM 1003 CD2 HIS A 63 0.865 13.599 2.540 1.00 0.93 C ATOM 1004 CE1 HIS A 63 -0.180 13.631 0.643 1.00 0.85 C ATOM 1005 NE2 HIS A 63 0.628 14.371 1.407 1.00 0.99 N ATOM 0 H HIS A 63 -0.077 9.550 1.392 1.00 0.29 H new ATOM 0 HA HIS A 63 2.166 10.682 2.986 1.00 0.37 H new ATOM 0 HB2 HIS A 63 -0.882 10.759 3.278 1.00 0.49 H new ATOM 0 HB3 HIS A 63 0.226 11.537 4.391 1.00 0.49 H new ATOM 0 HD2 HIS A 63 1.483 13.894 3.375 1.00 0.93 H new ATOM 0 HE1 HIS A 63 -0.558 13.944 -0.319 1.00 0.85 H new ATOM 0 HE2 HIS A 63 0.993 15.302 1.204 1.00 0.99 H new ATOM 1013 N ASP A 64 1.661 9.358 5.219 1.00 0.33 N ATOM 1014 CA ASP A 64 1.708 8.317 6.293 1.00 0.29 C ATOM 1015 C ASP A 64 0.282 7.983 6.749 1.00 0.25 C ATOM 1016 O ASP A 64 -0.548 8.860 6.913 1.00 0.31 O ATOM 1017 CB ASP A 64 2.519 8.846 7.484 1.00 0.35 C ATOM 1018 CG ASP A 64 2.759 7.716 8.493 1.00 0.45 C ATOM 1019 OD1 ASP A 64 3.759 7.030 8.361 1.00 0.70 O ATOM 1020 OD2 ASP A 64 1.939 7.559 9.384 1.00 0.82 O ATOM 0 H ASP A 64 2.007 10.277 5.496 1.00 0.33 H new ATOM 0 HA ASP A 64 2.182 7.416 5.904 1.00 0.29 H new ATOM 0 HB2 ASP A 64 3.472 9.245 7.138 1.00 0.35 H new ATOM 0 HB3 ASP A 64 1.985 9.667 7.963 1.00 0.35 H new ATOM 1025 N GLN A 65 0.001 6.715 6.947 1.00 0.26 N ATOM 1026 CA GLN A 65 -1.364 6.283 7.389 1.00 0.30 C ATOM 1027 C GLN A 65 -2.403 6.660 6.317 1.00 0.30 C ATOM 1028 O GLN A 65 -3.537 6.988 6.623 1.00 0.45 O ATOM 1029 CB GLN A 65 -1.710 6.952 8.728 1.00 0.36 C ATOM 1030 CG GLN A 65 -1.844 5.882 9.816 1.00 0.51 C ATOM 1031 CD GLN A 65 -0.489 5.670 10.498 1.00 0.58 C ATOM 1032 OE1 GLN A 65 0.363 4.823 9.988 1.00 0.83 O flip ATOM 1033 NE2 GLN A 65 -0.203 6.282 11.508 1.00 0.66 N flip ATOM 0 H GLN A 65 0.667 5.953 6.819 1.00 0.26 H new ATOM 0 HA GLN A 65 -1.376 5.201 7.523 1.00 0.30 H new ATOM 0 HB2 GLN A 65 -0.934 7.667 9.000 1.00 0.36 H new ATOM 0 HB3 GLN A 65 -2.641 7.511 8.637 1.00 0.36 H new ATOM 0 HG2 GLN A 65 -2.589 6.188 10.551 1.00 0.51 H new ATOM 0 HG3 GLN A 65 -2.193 4.946 9.379 1.00 0.51 H new ATOM 0 HE21 GLN A 65 -0.867 6.944 11.908 1.00 0.66 H new ATOM 0 HE22 GLN A 65 0.701 6.133 11.956 1.00 0.66 H new ATOM 1042 N THR A 66 -2.020 6.607 5.060 1.00 0.26 N ATOM 1043 CA THR A 66 -2.971 6.952 3.957 1.00 0.28 C ATOM 1044 C THR A 66 -3.756 5.698 3.542 1.00 0.27 C ATOM 1045 O THR A 66 -3.311 4.579 3.743 1.00 0.29 O ATOM 1046 CB THR A 66 -2.183 7.504 2.757 1.00 0.32 C ATOM 1047 OG1 THR A 66 -3.084 8.084 1.824 1.00 0.42 O ATOM 1048 CG2 THR A 66 -1.397 6.378 2.075 1.00 0.31 C ATOM 0 H THR A 66 -1.085 6.338 4.752 1.00 0.26 H new ATOM 0 HA THR A 66 -3.673 7.711 4.303 1.00 0.28 H new ATOM 0 HB THR A 66 -1.483 8.261 3.112 1.00 0.32 H new ATOM 0 HG1 THR A 66 -2.579 8.575 1.143 1.00 0.42 H new ATOM 0 HG21 THR A 66 -0.844 6.782 1.227 1.00 0.31 H new ATOM 0 HG22 THR A 66 -0.699 5.938 2.787 1.00 0.31 H new ATOM 0 HG23 THR A 66 -2.089 5.612 1.725 1.00 0.31 H new ATOM 1056 N ASN A 67 -4.919 5.880 2.964 1.00 0.28 N ATOM 1057 CA ASN A 67 -5.742 4.709 2.533 1.00 0.29 C ATOM 1058 C ASN A 67 -5.539 4.463 1.033 1.00 0.29 C ATOM 1059 O ASN A 67 -5.738 5.347 0.217 1.00 0.41 O ATOM 1060 CB ASN A 67 -7.221 4.989 2.819 1.00 0.37 C ATOM 1061 CG ASN A 67 -7.830 3.803 3.570 1.00 0.98 C ATOM 1062 OD1 ASN A 67 -7.832 3.776 4.784 1.00 1.50 O ATOM 1063 ND2 ASN A 67 -8.347 2.812 2.895 1.00 1.42 N ATOM 0 H ASN A 67 -5.334 6.792 2.772 1.00 0.28 H new ATOM 0 HA ASN A 67 -5.431 3.823 3.086 1.00 0.29 H new ATOM 0 HB2 ASN A 67 -7.322 5.898 3.411 1.00 0.37 H new ATOM 0 HB3 ASN A 67 -7.758 5.156 1.885 1.00 0.37 H new ATOM 0 HD21 ASN A 67 -8.752 2.016 3.387 1.00 1.42 H new ATOM 0 HD22 ASN A 67 -8.346 2.834 1.875 1.00 1.42 H new ATOM 1070 N LEU A 68 -5.141 3.266 0.673 1.00 0.26 N ATOM 1071 CA LEU A 68 -4.915 2.933 -0.769 1.00 0.27 C ATOM 1072 C LEU A 68 -5.910 1.849 -1.213 1.00 0.26 C ATOM 1073 O LEU A 68 -6.547 1.206 -0.396 1.00 0.30 O ATOM 1074 CB LEU A 68 -3.485 2.416 -0.953 1.00 0.30 C ATOM 1075 CG LEU A 68 -2.495 3.583 -0.868 1.00 0.38 C ATOM 1076 CD1 LEU A 68 -1.244 3.139 -0.106 1.00 0.56 C ATOM 1077 CD2 LEU A 68 -2.101 4.023 -2.281 1.00 0.63 C ATOM 0 H LEU A 68 -4.962 2.500 1.322 1.00 0.26 H new ATOM 0 HA LEU A 68 -5.063 3.828 -1.374 1.00 0.27 H new ATOM 0 HB2 LEU A 68 -3.255 1.676 -0.187 1.00 0.30 H new ATOM 0 HB3 LEU A 68 -3.390 1.917 -1.917 1.00 0.30 H new ATOM 0 HG LEU A 68 -2.963 4.417 -0.344 1.00 0.38 H new ATOM 0 HD11 LEU A 68 -0.541 3.969 -0.046 1.00 0.56 H new ATOM 0 HD12 LEU A 68 -1.523 2.826 0.900 1.00 0.56 H new ATOM 0 HD13 LEU A 68 -0.777 2.305 -0.629 1.00 0.56 H new ATOM 0 HD21 LEU A 68 -1.397 4.853 -2.221 1.00 0.63 H new ATOM 0 HD22 LEU A 68 -1.634 3.189 -2.805 1.00 0.63 H new ATOM 0 HD23 LEU A 68 -2.991 4.341 -2.824 1.00 0.63 H new ATOM 1089 N GLU A 69 -6.042 1.644 -2.502 1.00 0.28 N ATOM 1090 CA GLU A 69 -6.989 0.605 -3.014 1.00 0.29 C ATOM 1091 C GLU A 69 -6.198 -0.596 -3.549 1.00 0.25 C ATOM 1092 O GLU A 69 -5.129 -0.445 -4.114 1.00 0.29 O ATOM 1093 CB GLU A 69 -7.845 1.201 -4.137 1.00 0.35 C ATOM 1094 CG GLU A 69 -9.328 1.031 -3.794 1.00 0.51 C ATOM 1095 CD GLU A 69 -9.958 -0.017 -4.721 1.00 0.73 C ATOM 1096 OE1 GLU A 69 -9.654 -1.188 -4.556 1.00 1.15 O ATOM 1097 OE2 GLU A 69 -10.737 0.370 -5.575 1.00 0.89 O ATOM 0 H GLU A 69 -5.532 2.154 -3.223 1.00 0.28 H new ATOM 0 HA GLU A 69 -7.637 0.275 -2.202 1.00 0.29 H new ATOM 0 HB2 GLU A 69 -7.610 2.257 -4.267 1.00 0.35 H new ATOM 0 HB3 GLU A 69 -7.620 0.706 -5.082 1.00 0.35 H new ATOM 0 HG2 GLU A 69 -9.437 0.723 -2.754 1.00 0.51 H new ATOM 0 HG3 GLU A 69 -9.847 1.984 -3.901 1.00 0.51 H new ATOM 1104 N LEU A 70 -6.718 -1.789 -3.367 1.00 0.26 N ATOM 1105 CA LEU A 70 -6.010 -3.016 -3.850 1.00 0.26 C ATOM 1106 C LEU A 70 -6.935 -3.821 -4.774 1.00 0.28 C ATOM 1107 O LEU A 70 -8.143 -3.813 -4.625 1.00 0.37 O ATOM 1108 CB LEU A 70 -5.611 -3.875 -2.641 1.00 0.30 C ATOM 1109 CG LEU A 70 -4.748 -5.066 -3.087 1.00 0.36 C ATOM 1110 CD1 LEU A 70 -3.485 -4.569 -3.799 1.00 0.42 C ATOM 1111 CD2 LEU A 70 -4.344 -5.883 -1.855 1.00 0.45 C ATOM 0 H LEU A 70 -7.608 -1.964 -2.901 1.00 0.26 H new ATOM 0 HA LEU A 70 -5.118 -2.727 -4.406 1.00 0.26 H new ATOM 0 HB2 LEU A 70 -5.060 -3.268 -1.923 1.00 0.30 H new ATOM 0 HB3 LEU A 70 -6.505 -4.236 -2.133 1.00 0.30 H new ATOM 0 HG LEU A 70 -5.323 -5.685 -3.775 1.00 0.36 H new ATOM 0 HD11 LEU A 70 -2.883 -5.423 -4.110 1.00 0.42 H new ATOM 0 HD12 LEU A 70 -3.767 -3.986 -4.676 1.00 0.42 H new ATOM 0 HD13 LEU A 70 -2.906 -3.945 -3.119 1.00 0.42 H new ATOM 0 HD21 LEU A 70 -3.731 -6.730 -2.165 1.00 0.45 H new ATOM 0 HD22 LEU A 70 -3.774 -5.253 -1.172 1.00 0.45 H new ATOM 0 HD23 LEU A 70 -5.239 -6.248 -1.351 1.00 0.45 H new ATOM 1123 N TYR A 71 -6.364 -4.518 -5.726 1.00 0.29 N ATOM 1124 CA TYR A 71 -7.181 -5.339 -6.672 1.00 0.34 C ATOM 1125 C TYR A 71 -6.338 -6.516 -7.172 1.00 0.35 C ATOM 1126 O TYR A 71 -5.143 -6.391 -7.375 1.00 0.45 O ATOM 1127 CB TYR A 71 -7.618 -4.475 -7.861 1.00 0.38 C ATOM 1128 CG TYR A 71 -9.054 -4.042 -7.675 1.00 0.47 C ATOM 1129 CD1 TYR A 71 -10.071 -5.001 -7.576 1.00 0.82 C ATOM 1130 CD2 TYR A 71 -9.367 -2.679 -7.599 1.00 0.60 C ATOM 1131 CE1 TYR A 71 -11.400 -4.597 -7.403 1.00 0.99 C ATOM 1132 CE2 TYR A 71 -10.697 -2.275 -7.426 1.00 0.78 C ATOM 1133 CZ TYR A 71 -11.713 -3.234 -7.327 1.00 0.89 C ATOM 1134 OH TYR A 71 -13.022 -2.836 -7.155 1.00 1.13 O ATOM 0 H TYR A 71 -5.358 -4.553 -5.889 1.00 0.29 H new ATOM 0 HA TYR A 71 -8.067 -5.714 -6.160 1.00 0.34 H new ATOM 0 HB2 TYR A 71 -6.972 -3.601 -7.945 1.00 0.38 H new ATOM 0 HB3 TYR A 71 -7.515 -5.037 -8.789 1.00 0.38 H new ATOM 0 HD1 TYR A 71 -9.829 -6.052 -7.633 1.00 0.82 H new ATOM 0 HD2 TYR A 71 -8.583 -1.940 -7.674 1.00 0.60 H new ATOM 0 HE1 TYR A 71 -12.184 -5.336 -7.328 1.00 0.99 H new ATOM 0 HE2 TYR A 71 -10.939 -1.224 -7.369 1.00 0.78 H new ATOM 0 HH TYR A 71 -13.065 -1.857 -7.122 1.00 1.13 H new ATOM 1144 N TYR A 72 -6.949 -7.661 -7.362 1.00 0.41 N ATOM 1145 CA TYR A 72 -6.180 -8.853 -7.839 1.00 0.46 C ATOM 1146 C TYR A 72 -6.417 -9.059 -9.339 1.00 0.54 C ATOM 1147 O TYR A 72 -7.466 -9.520 -9.758 1.00 0.67 O ATOM 1148 CB TYR A 72 -6.625 -10.098 -7.061 1.00 0.56 C ATOM 1149 CG TYR A 72 -6.306 -9.918 -5.595 1.00 0.51 C ATOM 1150 CD1 TYR A 72 -5.015 -9.543 -5.199 1.00 0.57 C ATOM 1151 CD2 TYR A 72 -7.301 -10.122 -4.631 1.00 0.67 C ATOM 1152 CE1 TYR A 72 -4.720 -9.372 -3.842 1.00 0.68 C ATOM 1153 CE2 TYR A 72 -7.007 -9.950 -3.274 1.00 0.76 C ATOM 1154 CZ TYR A 72 -5.716 -9.576 -2.878 1.00 0.72 C ATOM 1155 OH TYR A 72 -5.427 -9.405 -1.541 1.00 0.91 O ATOM 0 H TYR A 72 -7.944 -7.821 -7.208 1.00 0.41 H new ATOM 0 HA TYR A 72 -5.116 -8.687 -7.669 1.00 0.46 H new ATOM 0 HB2 TYR A 72 -7.695 -10.260 -7.194 1.00 0.56 H new ATOM 0 HB3 TYR A 72 -6.118 -10.982 -7.448 1.00 0.56 H new ATOM 0 HD1 TYR A 72 -4.247 -9.386 -5.942 1.00 0.57 H new ATOM 0 HD2 TYR A 72 -8.296 -10.412 -4.935 1.00 0.67 H new ATOM 0 HE1 TYR A 72 -3.725 -9.083 -3.538 1.00 0.68 H new ATOM 0 HE2 TYR A 72 -7.776 -10.106 -2.531 1.00 0.76 H new ATOM 0 HH TYR A 72 -6.229 -9.585 -1.007 1.00 0.91 H new ATOM 1165 N LEU A 73 -5.441 -8.720 -10.147 1.00 0.56 N ATOM 1166 CA LEU A 73 -5.581 -8.889 -11.626 1.00 0.70 C ATOM 1167 C LEU A 73 -4.237 -9.341 -12.218 1.00 0.93 C ATOM 1168 O LEU A 73 -3.261 -8.619 -12.062 1.00 1.02 O ATOM 1169 CB LEU A 73 -6.013 -7.553 -12.259 1.00 0.67 C ATOM 1170 CG LEU A 73 -7.173 -7.777 -13.238 1.00 0.93 C ATOM 1171 CD1 LEU A 73 -6.732 -8.720 -14.361 1.00 1.27 C ATOM 1172 CD2 LEU A 73 -8.366 -8.387 -12.495 1.00 1.33 C ATOM 1173 OXT LEU A 73 -4.204 -10.406 -12.812 1.00 1.19 O ATOM 0 H LEU A 73 -4.549 -8.331 -9.842 1.00 0.56 H new ATOM 0 HA LEU A 73 -6.338 -9.644 -11.838 1.00 0.70 H new ATOM 0 HB2 LEU A 73 -6.316 -6.855 -11.479 1.00 0.67 H new ATOM 0 HB3 LEU A 73 -5.170 -7.101 -12.781 1.00 0.67 H new ATOM 0 HG LEU A 73 -7.466 -6.819 -13.668 1.00 0.93 H new ATOM 0 HD11 LEU A 73 -7.560 -8.875 -15.052 1.00 1.27 H new ATOM 0 HD12 LEU A 73 -5.890 -8.280 -14.896 1.00 1.27 H new ATOM 0 HD13 LEU A 73 -6.431 -9.677 -13.935 1.00 1.27 H new ATOM 0 HD21 LEU A 73 -9.188 -8.545 -13.194 1.00 1.33 H new ATOM 0 HD22 LEU A 73 -8.073 -9.342 -12.058 1.00 1.33 H new ATOM 0 HD23 LEU A 73 -8.687 -7.709 -11.704 1.00 1.33 H new