USER MOD reduce.3.24.130724 H: found=0, std=0, add=854, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 855 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 75 LYS NZ :NH3+ 157:sc= 0 (180deg=0) USER MOD Set 1.2: A 103 ASN : amide:sc= -0.224 K(o=-0.22,f=-2.4!) USER MOD Single : A 29 SER OG : rot -103:sc= 1.29 USER MOD Single : A 30 ASN : amide:sc= -7.28! C(o=-7.3!,f=-11!) USER MOD Single : A 32 LYS NZ :NH3+ 158:sc= 1.15 (180deg=0.796) USER MOD Single : A 33 LYS NZ :NH3+ -167:sc= -0.0414 (180deg=-0.309) USER MOD Single : A 40 LYS NZ :NH3+ -142:sc= 0.244 (180deg=-1.28!) USER MOD Single : A 41 MET CE :methyl -151:sc= -0.0796 (180deg=-0.728) USER MOD Single : A 44 LYS NZ :NH3+ -165:sc= -0.0971 (180deg=-0.357) USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 THR OG1 : rot -170:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 64 GLN :FLIP amide:sc=-0.00269 F(o=-1,f=-0.0027) USER MOD Single : A 69 LYS NZ :NH3+ -172:sc= 1.22 (180deg=1.08) USER MOD Single : A 81 THR OG1 : rot -127:sc= 0.0586 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0434) USER MOD Single : A 90 THR OG1 : rot 90:sc= 1.24 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ -175:sc= 1.17 (180deg=1.16) USER MOD Single : A 94 LYS NZ :NH3+ 172:sc= 0.121 (180deg=-0.268!) USER MOD Single : A 101 LYS NZ :NH3+ -170:sc=-0.00604 (180deg=-0.0996) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 THR OG1 : rot -60:sc= 0.428 USER MOD Single : A 111 SER OG : rot -35:sc=-0.00688 USER MOD Single : A 116 LYS NZ :NH3+ 160:sc= 1.21 (180deg=0.542) USER MOD Single : A 120 LYS NZ :NH3+ -146:sc= -1.1 (180deg=-2.79!) USER MOD Single : A 123 SER OG : rot -160:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 17 N ARG A 22 5.000 -13.364 -0.109 1.00 0.88 N ATOM 18 CA ARG A 22 4.665 -12.386 -1.124 1.00 0.73 C ATOM 19 C ARG A 22 3.959 -11.197 -0.490 1.00 0.55 C ATOM 20 O ARG A 22 2.815 -11.303 -0.038 1.00 0.56 O ATOM 21 CB ARG A 22 3.784 -12.999 -2.213 1.00 0.86 C ATOM 22 CG ARG A 22 3.410 -12.004 -3.300 1.00 1.33 C ATOM 23 CD ARG A 22 2.505 -12.623 -4.351 1.00 1.33 C ATOM 24 NE ARG A 22 2.009 -11.617 -5.289 1.00 1.91 N ATOM 25 CZ ARG A 22 0.843 -11.706 -5.926 1.00 2.43 C ATOM 26 NH1 ARG A 22 0.104 -12.803 -5.819 1.00 2.62 N ATOM 27 NH2 ARG A 22 0.431 -10.708 -6.694 1.00 3.31 N ATOM 0 HA ARG A 22 5.592 -12.049 -1.588 1.00 0.73 H new ATOM 0 HB2 ARG A 22 4.306 -13.843 -2.664 1.00 0.86 H new ATOM 0 HB3 ARG A 22 2.875 -13.393 -1.759 1.00 0.86 H new ATOM 0 HG2 ARG A 22 2.909 -11.147 -2.850 1.00 1.33 H new ATOM 0 HG3 ARG A 22 4.316 -11.630 -3.777 1.00 1.33 H new ATOM 0 HD2 ARG A 22 3.052 -13.392 -4.896 1.00 1.33 H new ATOM 0 HD3 ARG A 22 1.663 -13.115 -3.864 1.00 1.33 H new ATOM 0 HE ARG A 22 2.591 -10.798 -5.466 1.00 1.91 H new ATOM 0 HH11 ARG A 22 0.428 -13.583 -5.247 1.00 2.62 H new ATOM 0 HH12 ARG A 22 -0.788 -12.866 -6.309 1.00 2.62 H new ATOM 0 HH21 ARG A 22 1.007 -9.872 -6.797 1.00 3.31 H new ATOM 0 HH22 ARG A 22 -0.462 -10.775 -7.182 1.00 3.31 H new ATOM 41 N LEU A 23 4.655 -10.076 -0.432 1.00 0.51 N ATOM 42 CA LEU A 23 4.077 -8.852 0.085 1.00 0.43 C ATOM 43 C LEU A 23 3.766 -7.926 -1.079 1.00 0.37 C ATOM 44 O LEU A 23 4.622 -7.663 -1.928 1.00 0.40 O ATOM 45 CB LEU A 23 5.035 -8.181 1.073 1.00 0.58 C ATOM 46 CG LEU A 23 4.393 -7.235 2.098 1.00 1.05 C ATOM 47 CD1 LEU A 23 5.376 -6.937 3.215 1.00 1.76 C ATOM 48 CD2 LEU A 23 3.949 -5.935 1.445 1.00 1.55 C ATOM 0 H LEU A 23 5.624 -9.989 -0.738 1.00 0.51 H new ATOM 0 HA LEU A 23 3.156 -9.080 0.621 1.00 0.43 H new ATOM 0 HB2 LEU A 23 5.572 -8.960 1.614 1.00 0.58 H new ATOM 0 HB3 LEU A 23 5.776 -7.619 0.505 1.00 0.58 H new ATOM 0 HG LEU A 23 3.513 -7.730 2.508 1.00 1.05 H new ATOM 0 HD11 LEU A 23 4.913 -6.265 3.938 1.00 1.76 H new ATOM 0 HD12 LEU A 23 5.656 -7.866 3.711 1.00 1.76 H new ATOM 0 HD13 LEU A 23 6.266 -6.465 2.800 1.00 1.76 H new ATOM 0 HD21 LEU A 23 3.498 -5.286 2.196 1.00 1.55 H new ATOM 0 HD22 LEU A 23 4.812 -5.436 1.005 1.00 1.55 H new ATOM 0 HD23 LEU A 23 3.218 -6.150 0.666 1.00 1.55 H new ATOM 60 N VAL A 24 2.537 -7.450 -1.120 1.00 0.35 N ATOM 61 CA VAL A 24 2.083 -6.590 -2.193 1.00 0.37 C ATOM 62 C VAL A 24 1.954 -5.157 -1.698 1.00 0.38 C ATOM 63 O VAL A 24 1.306 -4.902 -0.686 1.00 0.42 O ATOM 64 CB VAL A 24 0.726 -7.064 -2.742 1.00 0.42 C ATOM 65 CG1 VAL A 24 0.294 -6.202 -3.918 1.00 0.46 C ATOM 66 CG2 VAL A 24 0.798 -8.531 -3.142 1.00 0.45 C ATOM 0 H VAL A 24 1.828 -7.648 -0.413 1.00 0.35 H new ATOM 0 HA VAL A 24 2.821 -6.635 -2.994 1.00 0.37 H new ATOM 0 HB VAL A 24 -0.021 -6.961 -1.955 1.00 0.42 H new ATOM 0 HG11 VAL A 24 -0.668 -6.553 -4.292 1.00 0.46 H new ATOM 0 HG12 VAL A 24 0.201 -5.165 -3.594 1.00 0.46 H new ATOM 0 HG13 VAL A 24 1.039 -6.269 -4.711 1.00 0.46 H new ATOM 0 HG21 VAL A 24 -0.170 -8.851 -3.528 1.00 0.45 H new ATOM 0 HG22 VAL A 24 1.557 -8.661 -3.913 1.00 0.45 H new ATOM 0 HG23 VAL A 24 1.058 -9.133 -2.271 1.00 0.45 H new ATOM 76 N VAL A 25 2.578 -4.229 -2.398 1.00 0.39 N ATOM 77 CA VAL A 25 2.545 -2.836 -2.003 1.00 0.41 C ATOM 78 C VAL A 25 1.810 -1.994 -3.041 1.00 0.39 C ATOM 79 O VAL A 25 2.216 -1.927 -4.201 1.00 0.42 O ATOM 80 CB VAL A 25 3.970 -2.274 -1.809 1.00 0.46 C ATOM 81 CG1 VAL A 25 3.917 -0.859 -1.260 1.00 0.51 C ATOM 82 CG2 VAL A 25 4.791 -3.172 -0.895 1.00 0.52 C ATOM 0 H VAL A 25 3.115 -4.416 -3.245 1.00 0.39 H new ATOM 0 HA VAL A 25 2.013 -2.783 -1.053 1.00 0.41 H new ATOM 0 HB VAL A 25 4.457 -2.248 -2.784 1.00 0.46 H new ATOM 0 HG11 VAL A 25 4.931 -0.481 -1.130 1.00 0.51 H new ATOM 0 HG12 VAL A 25 3.377 -0.218 -1.957 1.00 0.51 H new ATOM 0 HG13 VAL A 25 3.405 -0.861 -0.298 1.00 0.51 H new ATOM 0 HG21 VAL A 25 5.790 -2.753 -0.775 1.00 0.52 H new ATOM 0 HG22 VAL A 25 4.307 -3.240 0.079 1.00 0.52 H new ATOM 0 HG23 VAL A 25 4.865 -4.167 -1.333 1.00 0.52 H new ATOM 92 N LEU A 26 0.727 -1.361 -2.619 1.00 0.40 N ATOM 93 CA LEU A 26 0.009 -0.424 -3.468 1.00 0.38 C ATOM 94 C LEU A 26 0.294 0.993 -3.000 1.00 0.37 C ATOM 95 O LEU A 26 -0.149 1.405 -1.928 1.00 0.48 O ATOM 96 CB LEU A 26 -1.507 -0.679 -3.453 1.00 0.46 C ATOM 97 CG LEU A 26 -2.025 -1.788 -4.381 1.00 0.56 C ATOM 98 CD1 LEU A 26 -1.418 -1.663 -5.767 1.00 1.15 C ATOM 99 CD2 LEU A 26 -1.754 -3.167 -3.813 1.00 1.33 C ATOM 0 H LEU A 26 0.325 -1.480 -1.689 1.00 0.40 H new ATOM 0 HA LEU A 26 0.355 -0.563 -4.492 1.00 0.38 H new ATOM 0 HB2 LEU A 26 -1.802 -0.923 -2.432 1.00 0.46 H new ATOM 0 HB3 LEU A 26 -2.012 0.250 -3.717 1.00 0.46 H new ATOM 0 HG LEU A 26 -3.105 -1.664 -4.459 1.00 0.56 H new ATOM 0 HD11 LEU A 26 -1.801 -2.460 -6.405 1.00 1.15 H new ATOM 0 HD12 LEU A 26 -1.684 -0.696 -6.195 1.00 1.15 H new ATOM 0 HD13 LEU A 26 -0.333 -1.743 -5.698 1.00 1.15 H new ATOM 0 HD21 LEU A 26 -2.135 -3.924 -4.498 1.00 1.33 H new ATOM 0 HD22 LEU A 26 -0.680 -3.303 -3.683 1.00 1.33 H new ATOM 0 HD23 LEU A 26 -2.251 -3.267 -2.848 1.00 1.33 H new ATOM 111 N ILE A 27 1.042 1.728 -3.795 1.00 0.33 N ATOM 112 CA ILE A 27 1.440 3.073 -3.422 1.00 0.36 C ATOM 113 C ILE A 27 0.713 4.088 -4.303 1.00 0.39 C ATOM 114 O ILE A 27 0.555 3.881 -5.507 1.00 0.40 O ATOM 115 CB ILE A 27 2.985 3.230 -3.507 1.00 0.44 C ATOM 116 CG1 ILE A 27 3.455 4.593 -2.961 1.00 0.93 C ATOM 117 CG2 ILE A 27 3.475 3.019 -4.933 1.00 1.32 C ATOM 118 CD1 ILE A 27 3.582 5.685 -4.004 1.00 1.36 C ATOM 0 H ILE A 27 1.388 1.419 -4.704 1.00 0.33 H new ATOM 0 HA ILE A 27 1.156 3.261 -2.387 1.00 0.36 H new ATOM 0 HB ILE A 27 3.424 2.458 -2.875 1.00 0.44 H new ATOM 0 HG12 ILE A 27 2.754 4.922 -2.194 1.00 0.93 H new ATOM 0 HG13 ILE A 27 4.421 4.460 -2.475 1.00 0.93 H new ATOM 0 HG21 ILE A 27 4.558 3.134 -4.966 1.00 1.32 H new ATOM 0 HG22 ILE A 27 3.206 2.016 -5.265 1.00 1.32 H new ATOM 0 HG23 ILE A 27 3.012 3.755 -5.590 1.00 1.32 H new ATOM 0 HD11 ILE A 27 3.918 6.606 -3.527 1.00 1.36 H new ATOM 0 HD12 ILE A 27 4.306 5.383 -4.761 1.00 1.36 H new ATOM 0 HD13 ILE A 27 2.613 5.852 -4.475 1.00 1.36 H new ATOM 130 N VAL A 28 0.251 5.168 -3.692 1.00 0.48 N ATOM 131 CA VAL A 28 -0.503 6.184 -4.407 1.00 0.56 C ATOM 132 C VAL A 28 0.447 7.207 -5.009 1.00 0.86 C ATOM 133 O VAL A 28 1.321 7.738 -4.325 1.00 1.37 O ATOM 134 CB VAL A 28 -1.513 6.890 -3.473 1.00 0.77 C ATOM 135 CG1 VAL A 28 -2.271 7.981 -4.210 1.00 1.12 C ATOM 136 CG2 VAL A 28 -2.483 5.880 -2.876 1.00 1.17 C ATOM 0 H VAL A 28 0.386 5.363 -2.700 1.00 0.48 H new ATOM 0 HA VAL A 28 -1.062 5.694 -5.204 1.00 0.56 H new ATOM 0 HB VAL A 28 -0.952 7.357 -2.663 1.00 0.77 H new ATOM 0 HG11 VAL A 28 -2.974 8.460 -3.528 1.00 1.12 H new ATOM 0 HG12 VAL A 28 -1.567 8.723 -4.585 1.00 1.12 H new ATOM 0 HG13 VAL A 28 -2.817 7.544 -5.046 1.00 1.12 H new ATOM 0 HG21 VAL A 28 -3.187 6.394 -2.221 1.00 1.17 H new ATOM 0 HG22 VAL A 28 -3.030 5.383 -3.677 1.00 1.17 H new ATOM 0 HG23 VAL A 28 -1.928 5.138 -2.301 1.00 1.17 H new ATOM 146 N SER A 29 0.269 7.475 -6.292 1.00 0.85 N ATOM 147 CA SER A 29 1.184 8.324 -7.037 1.00 1.25 C ATOM 148 C SER A 29 1.294 9.722 -6.437 1.00 0.83 C ATOM 149 O SER A 29 0.350 10.237 -5.832 1.00 1.53 O ATOM 150 CB SER A 29 0.741 8.401 -8.489 1.00 2.38 C ATOM 151 OG SER A 29 -0.671 8.328 -8.591 1.00 3.23 O ATOM 0 H SER A 29 -0.509 7.113 -6.844 1.00 0.85 H new ATOM 0 HA SER A 29 2.176 7.876 -6.979 1.00 1.25 H new ATOM 0 HB2 SER A 29 1.094 9.332 -8.932 1.00 2.38 H new ATOM 0 HB3 SER A 29 1.193 7.587 -9.055 1.00 2.38 H new ATOM 0 HG SER A 29 -0.932 7.429 -8.880 1.00 3.23 H new ATOM 157 N ASN A 30 2.460 10.325 -6.630 1.00 1.19 N ATOM 158 CA ASN A 30 2.830 11.580 -5.992 1.00 1.67 C ATOM 159 C ASN A 30 4.225 11.959 -6.474 1.00 1.19 C ATOM 160 O ASN A 30 4.723 11.345 -7.422 1.00 1.38 O ATOM 161 CB ASN A 30 2.807 11.444 -4.463 1.00 2.93 C ATOM 162 CG ASN A 30 3.998 10.677 -3.923 1.00 3.86 C ATOM 163 OD1 ASN A 30 4.969 11.268 -3.465 1.00 4.32 O ATOM 164 ND2 ASN A 30 3.937 9.354 -3.988 1.00 4.58 N ATOM 0 H ASN A 30 3.184 9.950 -7.243 1.00 1.19 H new ATOM 0 HA ASN A 30 2.114 12.357 -6.259 1.00 1.67 H new ATOM 0 HB2 ASN A 30 2.787 12.437 -4.015 1.00 2.93 H new ATOM 0 HB3 ASN A 30 1.889 10.940 -4.162 1.00 2.93 H new ATOM 0 HD21 ASN A 30 4.717 8.790 -3.649 1.00 4.58 H new ATOM 0 HD22 ASN A 30 3.110 8.900 -4.377 1.00 4.58 H new ATOM 171 N ASP A 31 4.828 12.977 -5.866 1.00 1.45 N ATOM 172 CA ASP A 31 6.202 13.374 -6.189 1.00 1.18 C ATOM 173 C ASP A 31 7.117 12.151 -6.314 1.00 0.94 C ATOM 174 O ASP A 31 7.098 11.244 -5.477 1.00 1.28 O ATOM 175 CB ASP A 31 6.755 14.319 -5.120 1.00 1.61 C ATOM 176 CG ASP A 31 8.185 14.743 -5.404 1.00 1.74 C ATOM 177 OD1 ASP A 31 9.115 14.117 -4.859 1.00 2.03 O ATOM 178 OD2 ASP A 31 8.390 15.703 -6.178 1.00 2.29 O ATOM 0 H ASP A 31 4.387 13.546 -5.143 1.00 1.45 H new ATOM 0 HA ASP A 31 6.178 13.891 -7.148 1.00 1.18 H new ATOM 0 HB2 ASP A 31 6.122 15.204 -5.059 1.00 1.61 H new ATOM 0 HB3 ASP A 31 6.711 13.828 -4.148 1.00 1.61 H new ATOM 183 N LYS A 32 7.906 12.152 -7.382 1.00 0.79 N ATOM 184 CA LYS A 32 8.741 11.014 -7.770 1.00 0.82 C ATOM 185 C LYS A 32 9.653 10.511 -6.646 1.00 0.66 C ATOM 186 O LYS A 32 10.000 9.330 -6.625 1.00 0.68 O ATOM 187 CB LYS A 32 9.587 11.364 -9.010 1.00 1.24 C ATOM 188 CG LYS A 32 10.662 12.429 -8.786 1.00 1.77 C ATOM 189 CD LYS A 32 10.069 13.813 -8.560 1.00 2.22 C ATOM 190 CE LYS A 32 11.150 14.856 -8.343 1.00 3.17 C ATOM 191 NZ LYS A 32 10.579 16.167 -7.935 1.00 3.77 N ATOM 0 H LYS A 32 7.987 12.950 -8.012 1.00 0.79 H new ATOM 0 HA LYS A 32 8.052 10.202 -8.003 1.00 0.82 H new ATOM 0 HB2 LYS A 32 10.069 10.455 -9.370 1.00 1.24 H new ATOM 0 HB3 LYS A 32 8.919 11.705 -9.801 1.00 1.24 H new ATOM 0 HG2 LYS A 32 11.270 12.152 -7.925 1.00 1.77 H new ATOM 0 HG3 LYS A 32 11.327 12.458 -9.649 1.00 1.77 H new ATOM 0 HD2 LYS A 32 9.460 14.093 -9.419 1.00 2.22 H new ATOM 0 HD3 LYS A 32 9.407 13.789 -7.694 1.00 2.22 H new ATOM 0 HE2 LYS A 32 11.843 14.507 -7.577 1.00 3.17 H new ATOM 0 HE3 LYS A 32 11.725 14.980 -9.261 1.00 3.17 H new ATOM 0 HZ1 LYS A 32 11.307 16.726 -7.447 1.00 3.77 H new ATOM 0 HZ2 LYS A 32 10.255 16.682 -8.778 1.00 3.77 H new ATOM 0 HZ3 LYS A 32 9.775 16.011 -7.294 1.00 3.77 H new ATOM 205 N LYS A 33 10.030 11.384 -5.714 1.00 0.71 N ATOM 206 CA LYS A 33 10.951 11.001 -4.644 1.00 0.75 C ATOM 207 C LYS A 33 10.360 9.891 -3.781 1.00 0.68 C ATOM 208 O LYS A 33 11.028 8.900 -3.477 1.00 0.78 O ATOM 209 CB LYS A 33 11.289 12.205 -3.758 1.00 0.95 C ATOM 210 CG LYS A 33 12.243 11.871 -2.619 1.00 1.45 C ATOM 211 CD LYS A 33 12.479 13.060 -1.697 1.00 1.86 C ATOM 212 CE LYS A 33 13.215 14.193 -2.399 1.00 2.71 C ATOM 213 NZ LYS A 33 14.526 13.756 -2.950 1.00 3.23 N ATOM 0 H LYS A 33 9.716 12.354 -5.677 1.00 0.71 H new ATOM 0 HA LYS A 33 11.863 10.635 -5.116 1.00 0.75 H new ATOM 0 HB2 LYS A 33 11.732 12.987 -4.375 1.00 0.95 H new ATOM 0 HB3 LYS A 33 10.367 12.611 -3.342 1.00 0.95 H new ATOM 0 HG2 LYS A 33 11.839 11.040 -2.041 1.00 1.45 H new ATOM 0 HG3 LYS A 33 13.196 11.539 -3.031 1.00 1.45 H new ATOM 0 HD2 LYS A 33 11.522 13.426 -1.326 1.00 1.86 H new ATOM 0 HD3 LYS A 33 13.055 12.737 -0.830 1.00 1.86 H new ATOM 0 HE2 LYS A 33 12.595 14.581 -3.207 1.00 2.71 H new ATOM 0 HE3 LYS A 33 13.373 15.011 -1.697 1.00 2.71 H new ATOM 0 HZ1 LYS A 33 15.085 14.591 -3.220 1.00 3.23 H new ATOM 0 HZ2 LYS A 33 15.042 13.212 -2.229 1.00 3.23 H new ATOM 0 HZ3 LYS A 33 14.369 13.159 -3.787 1.00 3.23 H new ATOM 227 N LEU A 34 9.101 10.061 -3.409 1.00 0.61 N ATOM 228 CA LEU A 34 8.432 9.131 -2.512 1.00 0.64 C ATOM 229 C LEU A 34 8.224 7.787 -3.202 1.00 0.53 C ATOM 230 O LEU A 34 8.445 6.731 -2.606 1.00 0.62 O ATOM 231 CB LEU A 34 7.096 9.741 -2.055 1.00 0.70 C ATOM 232 CG LEU A 34 6.355 9.026 -0.913 1.00 0.82 C ATOM 233 CD1 LEU A 34 5.589 7.815 -1.418 1.00 1.39 C ATOM 234 CD2 LEU A 34 7.326 8.618 0.175 1.00 1.38 C ATOM 0 H LEU A 34 8.518 10.840 -3.717 1.00 0.61 H new ATOM 0 HA LEU A 34 9.053 8.955 -1.633 1.00 0.64 H new ATOM 0 HB2 LEU A 34 7.282 10.770 -1.746 1.00 0.70 H new ATOM 0 HB3 LEU A 34 6.430 9.782 -2.917 1.00 0.70 H new ATOM 0 HG LEU A 34 5.633 9.728 -0.497 1.00 0.82 H new ATOM 0 HD11 LEU A 34 5.078 7.334 -0.584 1.00 1.39 H new ATOM 0 HD12 LEU A 34 4.856 8.132 -2.160 1.00 1.39 H new ATOM 0 HD13 LEU A 34 6.284 7.109 -1.873 1.00 1.39 H new ATOM 0 HD21 LEU A 34 6.785 8.113 0.975 1.00 1.38 H new ATOM 0 HD22 LEU A 34 8.074 7.942 -0.240 1.00 1.38 H new ATOM 0 HD23 LEU A 34 7.819 9.504 0.574 1.00 1.38 H new ATOM 246 N ILE A 35 7.821 7.836 -4.466 1.00 0.43 N ATOM 247 CA ILE A 35 7.550 6.622 -5.227 1.00 0.43 C ATOM 248 C ILE A 35 8.808 5.774 -5.363 1.00 0.46 C ATOM 249 O ILE A 35 8.788 4.574 -5.090 1.00 0.52 O ATOM 250 CB ILE A 35 7.000 6.936 -6.634 1.00 0.47 C ATOM 251 CG1 ILE A 35 5.759 7.824 -6.543 1.00 0.57 C ATOM 252 CG2 ILE A 35 6.672 5.642 -7.369 1.00 0.61 C ATOM 253 CD1 ILE A 35 5.173 8.183 -7.892 1.00 0.97 C ATOM 0 H ILE A 35 7.675 8.702 -4.985 1.00 0.43 H new ATOM 0 HA ILE A 35 6.792 6.068 -4.673 1.00 0.43 H new ATOM 0 HB ILE A 35 7.766 7.475 -7.192 1.00 0.47 H new ATOM 0 HG12 ILE A 35 5.000 7.314 -5.950 1.00 0.57 H new ATOM 0 HG13 ILE A 35 6.016 8.740 -6.012 1.00 0.57 H new ATOM 0 HG21 ILE A 35 6.285 5.875 -8.361 1.00 0.61 H new ATOM 0 HG22 ILE A 35 7.575 5.039 -7.465 1.00 0.61 H new ATOM 0 HG23 ILE A 35 5.921 5.085 -6.808 1.00 0.61 H new ATOM 0 HD11 ILE A 35 4.296 8.814 -7.751 1.00 0.97 H new ATOM 0 HD12 ILE A 35 5.916 8.721 -8.480 1.00 0.97 H new ATOM 0 HD13 ILE A 35 4.885 7.273 -8.417 1.00 0.97 H new ATOM 265 N GLU A 36 9.903 6.409 -5.766 1.00 0.51 N ATOM 266 CA GLU A 36 11.167 5.710 -5.958 1.00 0.62 C ATOM 267 C GLU A 36 11.668 5.103 -4.660 1.00 0.63 C ATOM 268 O GLU A 36 12.116 3.963 -4.642 1.00 0.64 O ATOM 269 CB GLU A 36 12.221 6.655 -6.525 1.00 0.79 C ATOM 270 CG GLU A 36 11.924 7.102 -7.947 1.00 0.87 C ATOM 271 CD GLU A 36 12.106 5.985 -8.958 1.00 1.64 C ATOM 272 OE1 GLU A 36 11.372 4.974 -8.895 1.00 2.22 O ATOM 273 OE2 GLU A 36 12.991 6.108 -9.825 1.00 2.42 O ATOM 0 H GLU A 36 9.940 7.408 -5.966 1.00 0.51 H new ATOM 0 HA GLU A 36 10.989 4.902 -6.668 1.00 0.62 H new ATOM 0 HB2 GLU A 36 12.295 7.533 -5.883 1.00 0.79 H new ATOM 0 HB3 GLU A 36 13.192 6.161 -6.502 1.00 0.79 H new ATOM 0 HG2 GLU A 36 10.901 7.473 -8.001 1.00 0.87 H new ATOM 0 HG3 GLU A 36 12.579 7.933 -8.207 1.00 0.87 H new ATOM 280 N GLU A 37 11.579 5.859 -3.571 1.00 0.68 N ATOM 281 CA GLU A 37 12.073 5.388 -2.284 1.00 0.77 C ATOM 282 C GLU A 37 11.295 4.150 -1.838 1.00 0.71 C ATOM 283 O GLU A 37 11.878 3.170 -1.368 1.00 0.79 O ATOM 284 CB GLU A 37 11.967 6.490 -1.228 1.00 0.91 C ATOM 285 CG GLU A 37 12.695 6.168 0.071 1.00 1.41 C ATOM 286 CD GLU A 37 14.199 6.041 -0.109 1.00 1.84 C ATOM 287 OE1 GLU A 37 14.701 4.903 -0.230 1.00 2.30 O ATOM 288 OE2 GLU A 37 14.893 7.078 -0.108 1.00 2.53 O ATOM 0 H GLU A 37 11.172 6.794 -3.554 1.00 0.68 H new ATOM 0 HA GLU A 37 13.124 5.120 -2.397 1.00 0.77 H new ATOM 0 HB2 GLU A 37 12.370 7.415 -1.640 1.00 0.91 H new ATOM 0 HB3 GLU A 37 10.915 6.671 -1.009 1.00 0.91 H new ATOM 0 HG2 GLU A 37 12.486 6.949 0.802 1.00 1.41 H new ATOM 0 HG3 GLU A 37 12.303 5.237 0.480 1.00 1.41 H new ATOM 295 N ALA A 38 9.977 4.194 -2.008 1.00 0.61 N ATOM 296 CA ALA A 38 9.122 3.061 -1.676 1.00 0.60 C ATOM 297 C ALA A 38 9.411 1.887 -2.607 1.00 0.54 C ATOM 298 O ALA A 38 9.472 0.735 -2.176 1.00 0.59 O ATOM 299 CB ALA A 38 7.656 3.461 -1.762 1.00 0.60 C ATOM 0 H ALA A 38 9.478 5.004 -2.375 1.00 0.61 H new ATOM 0 HA ALA A 38 9.336 2.751 -0.653 1.00 0.60 H new ATOM 0 HB1 ALA A 38 7.030 2.605 -1.511 1.00 0.60 H new ATOM 0 HB2 ALA A 38 7.459 4.272 -1.061 1.00 0.60 H new ATOM 0 HB3 ALA A 38 7.428 3.793 -2.775 1.00 0.60 H new ATOM 305 N ARG A 39 9.597 2.200 -3.883 1.00 0.49 N ATOM 306 CA ARG A 39 9.933 1.204 -4.893 1.00 0.53 C ATOM 307 C ARG A 39 11.259 0.522 -4.561 1.00 0.56 C ATOM 308 O ARG A 39 11.394 -0.696 -4.700 1.00 0.59 O ATOM 309 CB ARG A 39 9.993 1.877 -6.267 1.00 0.60 C ATOM 310 CG ARG A 39 10.493 0.986 -7.390 1.00 0.88 C ATOM 311 CD ARG A 39 10.319 1.667 -8.736 1.00 0.95 C ATOM 312 NE ARG A 39 8.911 1.754 -9.121 1.00 1.37 N ATOM 313 CZ ARG A 39 8.307 2.867 -9.546 1.00 1.97 C ATOM 314 NH1 ARG A 39 8.958 4.025 -9.601 1.00 2.23 N ATOM 315 NH2 ARG A 39 7.033 2.823 -9.903 1.00 2.73 N ATOM 0 H ARG A 39 9.519 3.150 -4.247 1.00 0.49 H new ATOM 0 HA ARG A 39 9.162 0.434 -4.908 1.00 0.53 H new ATOM 0 HB2 ARG A 39 8.997 2.237 -6.524 1.00 0.60 H new ATOM 0 HB3 ARG A 39 10.640 2.751 -6.200 1.00 0.60 H new ATOM 0 HG2 ARG A 39 11.545 0.748 -7.231 1.00 0.88 H new ATOM 0 HG3 ARG A 39 9.948 0.042 -7.382 1.00 0.88 H new ATOM 0 HD2 ARG A 39 10.747 2.668 -8.695 1.00 0.95 H new ATOM 0 HD3 ARG A 39 10.871 1.115 -9.497 1.00 0.95 H new ATOM 0 HE ARG A 39 8.350 0.904 -9.061 1.00 1.37 H new ATOM 0 HH11 ARG A 39 9.936 4.074 -9.316 1.00 2.23 H new ATOM 0 HH12 ARG A 39 8.479 4.864 -9.928 1.00 2.23 H new ATOM 0 HH21 ARG A 39 6.519 1.943 -9.852 1.00 2.73 H new ATOM 0 HH22 ARG A 39 6.565 3.669 -10.229 1.00 2.73 H new ATOM 329 N LYS A 40 12.224 1.318 -4.112 1.00 0.59 N ATOM 330 CA LYS A 40 13.523 0.807 -3.690 1.00 0.67 C ATOM 331 C LYS A 40 13.372 -0.175 -2.539 1.00 0.65 C ATOM 332 O LYS A 40 13.951 -1.258 -2.557 1.00 0.71 O ATOM 333 CB LYS A 40 14.433 1.959 -3.261 1.00 0.78 C ATOM 334 CG LYS A 40 14.911 2.827 -4.413 1.00 0.83 C ATOM 335 CD LYS A 40 15.565 4.122 -3.938 1.00 1.29 C ATOM 336 CE LYS A 40 16.823 3.878 -3.112 1.00 1.82 C ATOM 337 NZ LYS A 40 16.525 3.525 -1.697 1.00 2.52 N ATOM 0 H LYS A 40 12.129 2.330 -4.031 1.00 0.59 H new ATOM 0 HA LYS A 40 13.971 0.288 -4.538 1.00 0.67 H new ATOM 0 HB2 LYS A 40 13.899 2.584 -2.545 1.00 0.78 H new ATOM 0 HB3 LYS A 40 15.300 1.550 -2.742 1.00 0.78 H new ATOM 0 HG2 LYS A 40 15.623 2.264 -5.016 1.00 0.83 H new ATOM 0 HG3 LYS A 40 14.066 3.066 -5.058 1.00 0.83 H new ATOM 0 HD2 LYS A 40 15.817 4.735 -4.803 1.00 1.29 H new ATOM 0 HD3 LYS A 40 14.849 4.689 -3.343 1.00 1.29 H new ATOM 0 HE2 LYS A 40 17.401 3.074 -3.568 1.00 1.82 H new ATOM 0 HE3 LYS A 40 17.446 4.772 -3.135 1.00 1.82 H new ATOM 0 HZ1 LYS A 40 17.228 3.970 -1.073 1.00 2.52 H new ATOM 0 HZ2 LYS A 40 15.575 3.865 -1.447 1.00 2.52 H new ATOM 0 HZ3 LYS A 40 16.564 2.492 -1.581 1.00 2.52 H new ATOM 351 N MET A 41 12.584 0.206 -1.541 1.00 0.64 N ATOM 352 CA MET A 41 12.357 -0.646 -0.379 1.00 0.68 C ATOM 353 C MET A 41 11.654 -1.934 -0.776 1.00 0.63 C ATOM 354 O MET A 41 11.948 -3.005 -0.242 1.00 0.67 O ATOM 355 CB MET A 41 11.538 0.089 0.682 1.00 0.82 C ATOM 356 CG MET A 41 12.314 1.181 1.392 1.00 0.99 C ATOM 357 SD MET A 41 13.760 0.548 2.271 1.00 1.64 S ATOM 358 CE MET A 41 12.990 -0.535 3.475 1.00 2.61 C ATOM 0 H MET A 41 12.091 1.099 -1.512 1.00 0.64 H new ATOM 0 HA MET A 41 13.331 -0.897 0.041 1.00 0.68 H new ATOM 0 HB2 MET A 41 10.657 0.526 0.212 1.00 0.82 H new ATOM 0 HB3 MET A 41 11.182 -0.631 1.419 1.00 0.82 H new ATOM 0 HG2 MET A 41 12.634 1.926 0.664 1.00 0.99 H new ATOM 0 HG3 MET A 41 11.657 1.688 2.099 1.00 0.99 H new ATOM 0 HE1 MET A 41 13.614 -0.589 4.367 1.00 2.61 H new ATOM 0 HE2 MET A 41 12.008 -0.143 3.742 1.00 2.61 H new ATOM 0 HE3 MET A 41 12.879 -1.532 3.049 1.00 2.61 H new ATOM 368 N ALA A 42 10.733 -1.825 -1.722 1.00 0.60 N ATOM 369 CA ALA A 42 10.004 -2.982 -2.210 1.00 0.64 C ATOM 370 C ALA A 42 10.953 -3.995 -2.841 1.00 0.61 C ATOM 371 O ALA A 42 10.970 -5.157 -2.453 1.00 0.66 O ATOM 372 CB ALA A 42 8.933 -2.559 -3.200 1.00 0.75 C ATOM 0 H ALA A 42 10.474 -0.944 -2.167 1.00 0.60 H new ATOM 0 HA ALA A 42 9.516 -3.460 -1.361 1.00 0.64 H new ATOM 0 HB1 ALA A 42 8.397 -3.439 -3.555 1.00 0.75 H new ATOM 0 HB2 ALA A 42 8.233 -1.881 -2.711 1.00 0.75 H new ATOM 0 HB3 ALA A 42 9.399 -2.053 -4.045 1.00 0.75 H new ATOM 378 N GLU A 43 11.765 -3.550 -3.792 1.00 0.62 N ATOM 379 CA GLU A 43 12.685 -4.452 -4.480 1.00 0.75 C ATOM 380 C GLU A 43 13.841 -4.865 -3.569 1.00 0.71 C ATOM 381 O GLU A 43 14.516 -5.863 -3.821 1.00 0.79 O ATOM 382 CB GLU A 43 13.220 -3.813 -5.763 1.00 0.93 C ATOM 383 CG GLU A 43 13.946 -2.497 -5.545 1.00 1.33 C ATOM 384 CD GLU A 43 14.422 -1.880 -6.840 1.00 1.88 C ATOM 385 OE1 GLU A 43 15.586 -2.120 -7.224 1.00 2.39 O ATOM 386 OE2 GLU A 43 13.637 -1.152 -7.482 1.00 2.57 O ATOM 0 H GLU A 43 11.807 -2.580 -4.103 1.00 0.62 H new ATOM 0 HA GLU A 43 12.127 -5.349 -4.748 1.00 0.75 H new ATOM 0 HB2 GLU A 43 13.899 -4.514 -6.249 1.00 0.93 H new ATOM 0 HB3 GLU A 43 12.388 -3.648 -6.448 1.00 0.93 H new ATOM 0 HG2 GLU A 43 13.282 -1.799 -5.036 1.00 1.33 H new ATOM 0 HG3 GLU A 43 14.800 -2.661 -4.888 1.00 1.33 H new ATOM 393 N LYS A 44 14.062 -4.091 -2.513 1.00 0.68 N ATOM 394 CA LYS A 44 15.078 -4.414 -1.518 1.00 0.77 C ATOM 395 C LYS A 44 14.696 -5.681 -0.762 1.00 0.69 C ATOM 396 O LYS A 44 15.537 -6.537 -0.490 1.00 0.80 O ATOM 397 CB LYS A 44 15.241 -3.253 -0.534 1.00 0.92 C ATOM 398 CG LYS A 44 16.295 -3.496 0.532 1.00 1.42 C ATOM 399 CD LYS A 44 16.286 -2.403 1.586 1.00 1.99 C ATOM 400 CE LYS A 44 17.313 -2.672 2.674 1.00 2.49 C ATOM 401 NZ LYS A 44 17.095 -3.990 3.333 1.00 2.98 N ATOM 0 H LYS A 44 13.548 -3.231 -2.323 1.00 0.68 H new ATOM 0 HA LYS A 44 16.025 -4.581 -2.032 1.00 0.77 H new ATOM 0 HB2 LYS A 44 15.501 -2.352 -1.090 1.00 0.92 H new ATOM 0 HB3 LYS A 44 14.284 -3.063 -0.049 1.00 0.92 H new ATOM 0 HG2 LYS A 44 16.118 -4.461 1.006 1.00 1.42 H new ATOM 0 HG3 LYS A 44 17.279 -3.545 0.067 1.00 1.42 H new ATOM 0 HD2 LYS A 44 16.494 -1.441 1.117 1.00 1.99 H new ATOM 0 HD3 LYS A 44 15.293 -2.332 2.030 1.00 1.99 H new ATOM 0 HE2 LYS A 44 18.314 -2.643 2.243 1.00 2.49 H new ATOM 0 HE3 LYS A 44 17.265 -1.880 3.422 1.00 2.49 H new ATOM 0 HZ1 LYS A 44 17.638 -4.029 4.219 1.00 2.98 H new ATOM 0 HZ2 LYS A 44 16.083 -4.111 3.541 1.00 2.98 H new ATOM 0 HZ3 LYS A 44 17.411 -4.752 2.699 1.00 2.98 H new ATOM 415 N ALA A 45 13.419 -5.792 -0.428 1.00 0.61 N ATOM 416 CA ALA A 45 12.922 -6.945 0.309 1.00 0.64 C ATOM 417 C ALA A 45 12.233 -7.938 -0.625 1.00 0.60 C ATOM 418 O ALA A 45 11.613 -8.902 -0.175 1.00 0.71 O ATOM 419 CB ALA A 45 11.973 -6.496 1.411 1.00 0.76 C ATOM 0 H ALA A 45 12.707 -5.098 -0.656 1.00 0.61 H new ATOM 0 HA ALA A 45 13.772 -7.452 0.766 1.00 0.64 H new ATOM 0 HB1 ALA A 45 11.608 -7.368 1.955 1.00 0.76 H new ATOM 0 HB2 ALA A 45 12.500 -5.834 2.098 1.00 0.76 H new ATOM 0 HB3 ALA A 45 11.130 -5.964 0.971 1.00 0.76 H new ATOM 425 N ASN A 46 12.364 -7.685 -1.928 1.00 0.56 N ATOM 426 CA ASN A 46 11.784 -8.537 -2.970 1.00 0.65 C ATOM 427 C ASN A 46 10.262 -8.589 -2.866 1.00 0.62 C ATOM 428 O ASN A 46 9.656 -9.662 -2.883 1.00 0.80 O ATOM 429 CB ASN A 46 12.375 -9.952 -2.917 1.00 0.83 C ATOM 430 CG ASN A 46 13.841 -9.980 -3.303 1.00 1.46 C ATOM 431 OD1 ASN A 46 14.182 -10.116 -4.477 1.00 2.11 O ATOM 432 ND2 ASN A 46 14.719 -9.856 -2.320 1.00 2.22 N ATOM 0 H ASN A 46 12.876 -6.882 -2.292 1.00 0.56 H new ATOM 0 HA ASN A 46 12.040 -8.094 -3.932 1.00 0.65 H new ATOM 0 HB2 ASN A 46 12.259 -10.354 -1.910 1.00 0.83 H new ATOM 0 HB3 ASN A 46 11.813 -10.603 -3.587 1.00 0.83 H new ATOM 0 HD21 ASN A 46 15.718 -9.871 -2.524 1.00 2.22 H new ATOM 0 HD22 ASN A 46 14.396 -9.745 -1.359 1.00 2.22 H new ATOM 439 N LEU A 47 9.653 -7.416 -2.759 1.00 0.48 N ATOM 440 CA LEU A 47 8.206 -7.294 -2.654 1.00 0.48 C ATOM 441 C LEU A 47 7.631 -6.790 -3.974 1.00 0.45 C ATOM 442 O LEU A 47 8.346 -6.189 -4.779 1.00 0.53 O ATOM 443 CB LEU A 47 7.833 -6.321 -1.528 1.00 0.51 C ATOM 444 CG LEU A 47 8.620 -6.480 -0.222 1.00 0.58 C ATOM 445 CD1 LEU A 47 8.120 -5.494 0.820 1.00 1.10 C ATOM 446 CD2 LEU A 47 8.532 -7.907 0.303 1.00 1.11 C ATOM 0 H LEU A 47 10.147 -6.524 -2.743 1.00 0.48 H new ATOM 0 HA LEU A 47 7.789 -8.275 -2.427 1.00 0.48 H new ATOM 0 HB2 LEU A 47 7.972 -5.303 -1.892 1.00 0.51 H new ATOM 0 HB3 LEU A 47 6.772 -6.439 -1.308 1.00 0.51 H new ATOM 0 HG LEU A 47 9.668 -6.266 -0.430 1.00 0.58 H new ATOM 0 HD11 LEU A 47 8.688 -5.619 1.742 1.00 1.10 H new ATOM 0 HD12 LEU A 47 8.248 -4.477 0.450 1.00 1.10 H new ATOM 0 HD13 LEU A 47 7.064 -5.678 1.017 1.00 1.10 H new ATOM 0 HD21 LEU A 47 9.100 -7.989 1.230 1.00 1.11 H new ATOM 0 HD22 LEU A 47 7.489 -8.161 0.492 1.00 1.11 H new ATOM 0 HD23 LEU A 47 8.944 -8.593 -0.437 1.00 1.11 H new ATOM 458 N GLU A 48 6.347 -7.025 -4.193 1.00 0.43 N ATOM 459 CA GLU A 48 5.690 -6.608 -5.426 1.00 0.47 C ATOM 460 C GLU A 48 4.954 -5.289 -5.214 1.00 0.45 C ATOM 461 O GLU A 48 3.981 -5.229 -4.466 1.00 0.49 O ATOM 462 CB GLU A 48 4.718 -7.695 -5.899 1.00 0.58 C ATOM 463 CG GLU A 48 4.000 -7.357 -7.196 1.00 0.80 C ATOM 464 CD GLU A 48 3.121 -8.490 -7.686 1.00 1.27 C ATOM 465 OE1 GLU A 48 1.975 -8.617 -7.209 1.00 2.13 O ATOM 466 OE2 GLU A 48 3.573 -9.265 -8.556 1.00 1.74 O ATOM 0 H GLU A 48 5.736 -7.504 -3.532 1.00 0.43 H new ATOM 0 HA GLU A 48 6.448 -6.460 -6.195 1.00 0.47 H new ATOM 0 HB2 GLU A 48 5.267 -8.627 -6.031 1.00 0.58 H new ATOM 0 HB3 GLU A 48 3.976 -7.870 -5.119 1.00 0.58 H new ATOM 0 HG2 GLU A 48 3.390 -6.466 -7.048 1.00 0.80 H new ATOM 0 HG3 GLU A 48 4.736 -7.115 -7.963 1.00 0.80 H new ATOM 473 N LEU A 49 5.424 -4.237 -5.866 1.00 0.46 N ATOM 474 CA LEU A 49 4.861 -2.910 -5.678 1.00 0.50 C ATOM 475 C LEU A 49 4.222 -2.398 -6.964 1.00 0.45 C ATOM 476 O LEU A 49 4.738 -2.619 -8.063 1.00 0.54 O ATOM 477 CB LEU A 49 5.954 -1.946 -5.194 1.00 0.67 C ATOM 478 CG LEU A 49 5.494 -0.523 -4.850 1.00 0.75 C ATOM 479 CD1 LEU A 49 6.317 0.030 -3.700 1.00 1.49 C ATOM 480 CD2 LEU A 49 5.618 0.396 -6.056 1.00 0.99 C ATOM 0 H LEU A 49 6.196 -4.277 -6.532 1.00 0.46 H new ATOM 0 HA LEU A 49 4.079 -2.968 -4.921 1.00 0.50 H new ATOM 0 HB2 LEU A 49 6.425 -2.377 -4.311 1.00 0.67 H new ATOM 0 HB3 LEU A 49 6.721 -1.882 -5.966 1.00 0.67 H new ATOM 0 HG LEU A 49 4.446 -0.570 -4.555 1.00 0.75 H new ATOM 0 HD11 LEU A 49 5.981 1.040 -3.465 1.00 1.49 H new ATOM 0 HD12 LEU A 49 6.192 -0.607 -2.824 1.00 1.49 H new ATOM 0 HD13 LEU A 49 7.369 0.054 -3.984 1.00 1.49 H new ATOM 0 HD21 LEU A 49 5.286 1.398 -5.785 1.00 0.99 H new ATOM 0 HD22 LEU A 49 6.658 0.434 -6.379 1.00 0.99 H new ATOM 0 HD23 LEU A 49 4.999 0.016 -6.869 1.00 0.99 H new ATOM 492 N ILE A 50 3.088 -1.729 -6.812 1.00 0.39 N ATOM 493 CA ILE A 50 2.384 -1.113 -7.926 1.00 0.43 C ATOM 494 C ILE A 50 2.033 0.332 -7.581 1.00 0.40 C ATOM 495 O ILE A 50 1.515 0.610 -6.497 1.00 0.37 O ATOM 496 CB ILE A 50 1.083 -1.877 -8.268 1.00 0.50 C ATOM 497 CG1 ILE A 50 1.393 -3.321 -8.666 1.00 0.60 C ATOM 498 CG2 ILE A 50 0.320 -1.167 -9.379 1.00 0.62 C ATOM 499 CD1 ILE A 50 0.157 -4.168 -8.881 1.00 1.31 C ATOM 0 H ILE A 50 2.630 -1.598 -5.910 1.00 0.39 H new ATOM 0 HA ILE A 50 3.044 -1.146 -8.793 1.00 0.43 H new ATOM 0 HB ILE A 50 0.454 -1.895 -7.378 1.00 0.50 H new ATOM 0 HG12 ILE A 50 1.985 -3.318 -9.581 1.00 0.60 H new ATOM 0 HG13 ILE A 50 2.007 -3.779 -7.891 1.00 0.60 H new ATOM 0 HG21 ILE A 50 -0.592 -1.720 -9.605 1.00 0.62 H new ATOM 0 HG22 ILE A 50 0.062 -0.158 -9.056 1.00 0.62 H new ATOM 0 HG23 ILE A 50 0.943 -1.114 -10.272 1.00 0.62 H new ATOM 0 HD11 ILE A 50 0.453 -5.179 -9.161 1.00 1.31 H new ATOM 0 HD12 ILE A 50 -0.425 -4.202 -7.960 1.00 1.31 H new ATOM 0 HD13 ILE A 50 -0.448 -3.734 -9.677 1.00 1.31 H new ATOM 511 N THR A 51 2.328 1.245 -8.491 1.00 0.48 N ATOM 512 CA THR A 51 1.989 2.644 -8.301 1.00 0.52 C ATOM 513 C THR A 51 0.631 2.943 -8.932 1.00 0.56 C ATOM 514 O THR A 51 0.487 2.947 -10.156 1.00 0.66 O ATOM 515 CB THR A 51 3.064 3.565 -8.907 1.00 0.63 C ATOM 516 OG1 THR A 51 4.357 3.186 -8.417 1.00 1.19 O ATOM 517 CG2 THR A 51 2.798 5.021 -8.552 1.00 1.20 C ATOM 0 H THR A 51 2.803 1.041 -9.371 1.00 0.48 H new ATOM 0 HA THR A 51 1.941 2.838 -7.229 1.00 0.52 H new ATOM 0 HB THR A 51 3.032 3.460 -9.991 1.00 0.63 H new ATOM 0 HG1 THR A 51 5.016 3.864 -8.675 1.00 1.19 H new ATOM 0 HG21 THR A 51 3.572 5.650 -8.992 1.00 1.20 H new ATOM 0 HG22 THR A 51 1.824 5.318 -8.941 1.00 1.20 H new ATOM 0 HG23 THR A 51 2.808 5.139 -7.468 1.00 1.20 H new ATOM 525 N VAL A 52 -0.361 3.186 -8.089 1.00 0.68 N ATOM 526 CA VAL A 52 -1.736 3.360 -8.540 1.00 0.78 C ATOM 527 C VAL A 52 -2.029 4.822 -8.876 1.00 0.85 C ATOM 528 O VAL A 52 -1.218 5.706 -8.581 1.00 1.66 O ATOM 529 CB VAL A 52 -2.735 2.901 -7.453 1.00 1.35 C ATOM 530 CG1 VAL A 52 -2.382 1.513 -6.948 1.00 1.77 C ATOM 531 CG2 VAL A 52 -2.781 3.908 -6.313 1.00 1.95 C ATOM 0 H VAL A 52 -0.239 3.268 -7.080 1.00 0.68 H new ATOM 0 HA VAL A 52 -1.855 2.750 -9.435 1.00 0.78 H new ATOM 0 HB VAL A 52 -3.729 2.849 -7.897 1.00 1.35 H new ATOM 0 HG11 VAL A 52 -3.098 1.211 -6.184 1.00 1.77 H new ATOM 0 HG12 VAL A 52 -2.415 0.805 -7.776 1.00 1.77 H new ATOM 0 HG13 VAL A 52 -1.379 1.525 -6.521 1.00 1.77 H new ATOM 0 HG21 VAL A 52 -3.489 3.569 -5.557 1.00 1.95 H new ATOM 0 HG22 VAL A 52 -1.790 3.999 -5.868 1.00 1.95 H new ATOM 0 HG23 VAL A 52 -3.097 4.878 -6.697 1.00 1.95 H new ATOM 541 N PRO A 53 -3.181 5.096 -9.517 1.00 0.73 N ATOM 542 CA PRO A 53 -3.699 6.457 -9.661 1.00 0.90 C ATOM 543 C PRO A 53 -3.831 7.156 -8.307 1.00 0.88 C ATOM 544 O PRO A 53 -3.911 6.515 -7.264 1.00 1.64 O ATOM 545 CB PRO A 53 -5.084 6.264 -10.299 1.00 1.83 C ATOM 546 CG PRO A 53 -5.381 4.807 -10.169 1.00 2.29 C ATOM 547 CD PRO A 53 -4.050 4.120 -10.191 1.00 1.49 C ATOM 0 HA PRO A 53 -3.036 7.084 -10.257 1.00 0.90 H new ATOM 0 HB2 PRO A 53 -5.838 6.865 -9.791 1.00 1.83 H new ATOM 0 HB3 PRO A 53 -5.081 6.573 -11.344 1.00 1.83 H new ATOM 0 HG2 PRO A 53 -5.915 4.597 -9.242 1.00 2.29 H new ATOM 0 HG3 PRO A 53 -6.014 4.462 -10.987 1.00 2.29 H new ATOM 0 HD2 PRO A 53 -4.076 3.167 -9.663 1.00 1.49 H new ATOM 0 HD3 PRO A 53 -3.716 3.913 -11.208 1.00 1.49 H new ATOM 555 N GLY A 54 -3.877 8.473 -8.343 1.00 1.49 N ATOM 556 CA GLY A 54 -3.859 9.277 -7.132 1.00 2.14 C ATOM 557 C GLY A 54 -5.144 9.215 -6.321 1.00 1.80 C ATOM 558 O GLY A 54 -5.321 9.995 -5.382 1.00 2.08 O ATOM 0 H GLY A 54 -3.928 9.015 -9.205 1.00 1.49 H new ATOM 0 HA2 GLY A 54 -3.031 8.949 -6.504 1.00 2.14 H new ATOM 0 HA3 GLY A 54 -3.663 10.315 -7.402 1.00 2.14 H new ATOM 562 N SER A 55 -6.039 8.305 -6.667 1.00 1.36 N ATOM 563 CA SER A 55 -7.272 8.140 -5.919 1.00 0.97 C ATOM 564 C SER A 55 -7.168 6.959 -4.962 1.00 0.64 C ATOM 565 O SER A 55 -6.664 5.893 -5.318 1.00 0.50 O ATOM 566 CB SER A 55 -8.454 7.924 -6.854 1.00 1.19 C ATOM 567 OG SER A 55 -8.558 8.969 -7.807 1.00 1.75 O ATOM 0 H SER A 55 -5.935 7.671 -7.459 1.00 1.36 H new ATOM 0 HA SER A 55 -7.433 9.055 -5.348 1.00 0.97 H new ATOM 0 HB2 SER A 55 -8.343 6.970 -7.369 1.00 1.19 H new ATOM 0 HB3 SER A 55 -9.374 7.867 -6.272 1.00 1.19 H new ATOM 0 HG SER A 55 -9.325 8.801 -8.394 1.00 1.75 H new ATOM 573 N PRO A 56 -7.666 7.145 -3.733 1.00 0.66 N ATOM 574 CA PRO A 56 -7.600 6.130 -2.677 1.00 0.58 C ATOM 575 C PRO A 56 -8.522 4.950 -2.949 1.00 0.53 C ATOM 576 O PRO A 56 -8.268 3.832 -2.505 1.00 0.62 O ATOM 577 CB PRO A 56 -8.057 6.898 -1.439 1.00 0.70 C ATOM 578 CG PRO A 56 -8.959 7.952 -1.969 1.00 1.09 C ATOM 579 CD PRO A 56 -8.353 8.370 -3.277 1.00 0.87 C ATOM 0 HA PRO A 56 -6.607 5.691 -2.585 1.00 0.58 H new ATOM 0 HB2 PRO A 56 -8.577 6.246 -0.737 1.00 0.70 H new ATOM 0 HB3 PRO A 56 -7.211 7.331 -0.905 1.00 0.70 H new ATOM 0 HG2 PRO A 56 -9.971 7.571 -2.108 1.00 1.09 H new ATOM 0 HG3 PRO A 56 -9.028 8.794 -1.280 1.00 1.09 H new ATOM 0 HD2 PRO A 56 -9.113 8.695 -3.988 1.00 0.87 H new ATOM 0 HD3 PRO A 56 -7.657 9.200 -3.152 1.00 0.87 H new ATOM 587 N GLU A 57 -9.593 5.218 -3.688 1.00 0.62 N ATOM 588 CA GLU A 57 -10.559 4.195 -4.057 1.00 0.80 C ATOM 589 C GLU A 57 -9.875 3.091 -4.858 1.00 0.67 C ATOM 590 O GLU A 57 -9.884 1.922 -4.471 1.00 0.67 O ATOM 591 CB GLU A 57 -11.677 4.831 -4.889 1.00 1.14 C ATOM 592 CG GLU A 57 -12.815 3.886 -5.234 1.00 1.80 C ATOM 593 CD GLU A 57 -13.604 3.453 -4.017 1.00 1.95 C ATOM 594 OE1 GLU A 57 -13.443 2.300 -3.573 1.00 2.06 O ATOM 595 OE2 GLU A 57 -14.393 4.269 -3.498 1.00 2.70 O ATOM 0 H GLU A 57 -9.814 6.147 -4.046 1.00 0.62 H new ATOM 0 HA GLU A 57 -10.983 3.757 -3.154 1.00 0.80 H new ATOM 0 HB2 GLU A 57 -12.081 5.683 -4.342 1.00 1.14 H new ATOM 0 HB3 GLU A 57 -11.250 5.219 -5.814 1.00 1.14 H new ATOM 0 HG2 GLU A 57 -13.485 4.374 -5.942 1.00 1.80 H new ATOM 0 HG3 GLU A 57 -12.412 3.005 -5.733 1.00 1.80 H new ATOM 602 N GLU A 58 -9.243 3.490 -5.953 1.00 0.61 N ATOM 603 CA GLU A 58 -8.591 2.556 -6.861 1.00 0.56 C ATOM 604 C GLU A 58 -7.430 1.837 -6.184 1.00 0.50 C ATOM 605 O GLU A 58 -7.110 0.699 -6.529 1.00 0.54 O ATOM 606 CB GLU A 58 -8.092 3.302 -8.095 1.00 0.62 C ATOM 607 CG GLU A 58 -9.187 4.059 -8.828 1.00 1.18 C ATOM 608 CD GLU A 58 -10.297 3.153 -9.319 1.00 1.57 C ATOM 609 OE1 GLU A 58 -11.237 2.879 -8.548 1.00 2.30 O ATOM 610 OE2 GLU A 58 -10.242 2.721 -10.492 1.00 2.01 O ATOM 0 H GLU A 58 -9.168 4.467 -6.237 1.00 0.61 H new ATOM 0 HA GLU A 58 -9.323 1.804 -7.156 1.00 0.56 H new ATOM 0 HB2 GLU A 58 -7.314 4.004 -7.796 1.00 0.62 H new ATOM 0 HB3 GLU A 58 -7.633 2.589 -8.780 1.00 0.62 H new ATOM 0 HG2 GLU A 58 -9.607 4.815 -8.164 1.00 1.18 H new ATOM 0 HG3 GLU A 58 -8.752 4.587 -9.677 1.00 1.18 H new ATOM 617 N ALA A 59 -6.811 2.506 -5.221 1.00 0.52 N ATOM 618 CA ALA A 59 -5.691 1.938 -4.488 1.00 0.59 C ATOM 619 C ALA A 59 -6.119 0.700 -3.710 1.00 0.50 C ATOM 620 O ALA A 59 -5.477 -0.348 -3.785 1.00 0.50 O ATOM 621 CB ALA A 59 -5.097 2.974 -3.545 1.00 0.78 C ATOM 0 H ALA A 59 -7.069 3.449 -4.929 1.00 0.52 H new ATOM 0 HA ALA A 59 -4.930 1.640 -5.209 1.00 0.59 H new ATOM 0 HB1 ALA A 59 -4.260 2.535 -3.003 1.00 0.78 H new ATOM 0 HB2 ALA A 59 -4.747 3.831 -4.120 1.00 0.78 H new ATOM 0 HB3 ALA A 59 -5.858 3.299 -2.836 1.00 0.78 H new ATOM 627 N ILE A 60 -7.219 0.819 -2.980 1.00 0.51 N ATOM 628 CA ILE A 60 -7.696 -0.285 -2.162 1.00 0.52 C ATOM 629 C ILE A 60 -8.336 -1.362 -3.030 1.00 0.50 C ATOM 630 O ILE A 60 -8.221 -2.548 -2.736 1.00 0.52 O ATOM 631 CB ILE A 60 -8.710 0.171 -1.095 1.00 0.63 C ATOM 632 CG1 ILE A 60 -8.198 1.404 -0.346 1.00 0.79 C ATOM 633 CG2 ILE A 60 -8.975 -0.965 -0.116 1.00 0.74 C ATOM 634 CD1 ILE A 60 -6.909 1.167 0.408 1.00 1.03 C ATOM 0 H ILE A 60 -7.793 1.661 -2.938 1.00 0.51 H new ATOM 0 HA ILE A 60 -6.823 -0.690 -1.650 1.00 0.52 H new ATOM 0 HB ILE A 60 -9.641 0.440 -1.595 1.00 0.63 H new ATOM 0 HG12 ILE A 60 -8.047 2.214 -1.059 1.00 0.79 H new ATOM 0 HG13 ILE A 60 -8.963 1.735 0.356 1.00 0.79 H new ATOM 0 HG21 ILE A 60 -9.693 -0.637 0.636 1.00 0.74 H new ATOM 0 HG22 ILE A 60 -9.380 -1.822 -0.654 1.00 0.74 H new ATOM 0 HG23 ILE A 60 -8.043 -1.250 0.372 1.00 0.74 H new ATOM 0 HD11 ILE A 60 -6.609 2.085 0.913 1.00 1.03 H new ATOM 0 HD12 ILE A 60 -7.059 0.379 1.146 1.00 1.03 H new ATOM 0 HD13 ILE A 60 -6.129 0.866 -0.291 1.00 1.03 H new ATOM 646 N ARG A 61 -9.005 -0.946 -4.100 1.00 0.51 N ATOM 647 CA ARG A 61 -9.625 -1.891 -5.026 1.00 0.57 C ATOM 648 C ARG A 61 -8.566 -2.778 -5.673 1.00 0.55 C ATOM 649 O ARG A 61 -8.776 -3.977 -5.860 1.00 0.67 O ATOM 650 CB ARG A 61 -10.425 -1.153 -6.102 1.00 0.63 C ATOM 651 CG ARG A 61 -11.595 -0.362 -5.546 1.00 0.68 C ATOM 652 CD ARG A 61 -12.329 0.399 -6.637 1.00 0.85 C ATOM 653 NE ARG A 61 -13.048 -0.490 -7.551 1.00 1.75 N ATOM 654 CZ ARG A 61 -13.407 -0.150 -8.789 1.00 2.33 C ATOM 655 NH1 ARG A 61 -13.021 1.012 -9.306 1.00 2.28 N ATOM 656 NH2 ARG A 61 -14.133 -0.981 -9.522 1.00 3.35 N ATOM 0 H ARG A 61 -9.132 0.035 -4.348 1.00 0.51 H new ATOM 0 HA ARG A 61 -10.310 -2.521 -4.459 1.00 0.57 H new ATOM 0 HB2 ARG A 61 -9.760 -0.476 -6.638 1.00 0.63 H new ATOM 0 HB3 ARG A 61 -10.797 -1.876 -6.828 1.00 0.63 H new ATOM 0 HG2 ARG A 61 -12.287 -1.039 -5.046 1.00 0.68 H new ATOM 0 HG3 ARG A 61 -11.235 0.339 -4.793 1.00 0.68 H new ATOM 0 HD2 ARG A 61 -13.034 1.093 -6.180 1.00 0.85 H new ATOM 0 HD3 ARG A 61 -11.614 0.997 -7.203 1.00 0.85 H new ATOM 0 HE ARG A 61 -13.289 -1.425 -7.221 1.00 1.75 H new ATOM 0 HH11 ARG A 61 -12.447 1.650 -8.755 1.00 2.28 H new ATOM 0 HH12 ARG A 61 -13.299 1.266 -10.254 1.00 2.28 H new ATOM 0 HH21 ARG A 61 -14.418 -1.882 -9.139 1.00 3.35 H new ATOM 0 HH22 ARG A 61 -14.407 -0.719 -10.469 1.00 3.35 H new ATOM 670 N LEU A 62 -7.425 -2.177 -5.998 1.00 0.47 N ATOM 671 CA LEU A 62 -6.288 -2.914 -6.540 1.00 0.50 C ATOM 672 C LEU A 62 -5.834 -3.959 -5.522 1.00 0.43 C ATOM 673 O LEU A 62 -5.718 -5.147 -5.831 1.00 0.45 O ATOM 674 CB LEU A 62 -5.133 -1.944 -6.838 1.00 0.59 C ATOM 675 CG LEU A 62 -4.258 -2.266 -8.062 1.00 0.69 C ATOM 676 CD1 LEU A 62 -3.911 -3.742 -8.137 1.00 1.22 C ATOM 677 CD2 LEU A 62 -4.940 -1.810 -9.343 1.00 1.03 C ATOM 0 H LEU A 62 -7.263 -1.175 -5.894 1.00 0.47 H new ATOM 0 HA LEU A 62 -6.583 -3.409 -7.465 1.00 0.50 H new ATOM 0 HB2 LEU A 62 -5.552 -0.947 -6.972 1.00 0.59 H new ATOM 0 HB3 LEU A 62 -4.488 -1.903 -5.960 1.00 0.59 H new ATOM 0 HG LEU A 62 -3.323 -1.717 -7.948 1.00 0.69 H new ATOM 0 HD11 LEU A 62 -3.293 -3.926 -9.015 1.00 1.22 H new ATOM 0 HD12 LEU A 62 -3.364 -4.033 -7.240 1.00 1.22 H new ATOM 0 HD13 LEU A 62 -4.827 -4.328 -8.209 1.00 1.22 H new ATOM 0 HD21 LEU A 62 -4.305 -2.047 -10.197 1.00 1.03 H new ATOM 0 HD22 LEU A 62 -5.896 -2.322 -9.448 1.00 1.03 H new ATOM 0 HD23 LEU A 62 -5.108 -0.734 -9.303 1.00 1.03 H new ATOM 689 N ALA A 63 -5.602 -3.495 -4.299 1.00 0.41 N ATOM 690 CA ALA A 63 -5.153 -4.350 -3.209 1.00 0.42 C ATOM 691 C ALA A 63 -6.153 -5.465 -2.923 1.00 0.46 C ATOM 692 O ALA A 63 -5.774 -6.620 -2.733 1.00 0.49 O ATOM 693 CB ALA A 63 -4.939 -3.514 -1.960 1.00 0.49 C ATOM 0 H ALA A 63 -5.720 -2.516 -4.037 1.00 0.41 H new ATOM 0 HA ALA A 63 -4.213 -4.814 -3.508 1.00 0.42 H new ATOM 0 HB1 ALA A 63 -4.603 -4.156 -1.146 1.00 0.49 H new ATOM 0 HB2 ALA A 63 -4.184 -2.752 -2.157 1.00 0.49 H new ATOM 0 HB3 ALA A 63 -5.876 -3.032 -1.680 1.00 0.49 H new ATOM 699 N GLN A 64 -7.427 -5.099 -2.903 1.00 0.52 N ATOM 700 CA GLN A 64 -8.508 -6.033 -2.614 1.00 0.64 C ATOM 701 C GLN A 64 -8.548 -7.151 -3.655 1.00 0.62 C ATOM 702 O GLN A 64 -8.820 -8.311 -3.332 1.00 0.69 O ATOM 703 CB GLN A 64 -9.839 -5.274 -2.593 1.00 0.77 C ATOM 704 CG GLN A 64 -10.996 -6.067 -2.014 1.00 1.11 C ATOM 705 CD GLN A 64 -12.295 -5.281 -1.998 1.00 1.39 C ATOM 706 OE1 GLN A 64 -12.199 -3.968 -1.851 1.00 1.95 O flip ATOM 707 NE2 GLN A 64 -13.377 -5.853 -2.111 1.00 2.12 N flip ATOM 0 H GLN A 64 -7.741 -4.146 -3.087 1.00 0.52 H new ATOM 0 HA GLN A 64 -8.336 -6.489 -1.639 1.00 0.64 H new ATOM 0 HB2 GLN A 64 -9.714 -4.359 -2.014 1.00 0.77 H new ATOM 0 HB3 GLN A 64 -10.091 -4.975 -3.611 1.00 0.77 H new ATOM 0 HG2 GLN A 64 -11.134 -6.978 -2.596 1.00 1.11 H new ATOM 0 HG3 GLN A 64 -10.749 -6.373 -0.998 1.00 1.11 H new ATOM 0 HE21 GLN A 64 -13.409 -6.866 -2.222 1.00 2.12 H new ATOM 0 HE22 GLN A 64 -14.243 -5.314 -2.093 1.00 2.12 H new ATOM 716 N GLU A 65 -8.267 -6.790 -4.901 1.00 0.58 N ATOM 717 CA GLU A 65 -8.218 -7.752 -5.992 1.00 0.63 C ATOM 718 C GLU A 65 -7.021 -8.681 -5.834 1.00 0.55 C ATOM 719 O GLU A 65 -7.170 -9.903 -5.856 1.00 0.62 O ATOM 720 CB GLU A 65 -8.147 -7.022 -7.333 1.00 0.69 C ATOM 721 CG GLU A 65 -8.179 -7.947 -8.536 1.00 1.24 C ATOM 722 CD GLU A 65 -8.171 -7.189 -9.845 1.00 1.50 C ATOM 723 OE1 GLU A 65 -7.103 -7.108 -10.486 1.00 2.21 O ATOM 724 OE2 GLU A 65 -9.234 -6.664 -10.239 1.00 1.95 O ATOM 0 H GLU A 65 -8.068 -5.830 -5.181 1.00 0.58 H new ATOM 0 HA GLU A 65 -9.127 -8.354 -5.965 1.00 0.63 H new ATOM 0 HB2 GLU A 65 -8.981 -6.324 -7.401 1.00 0.69 H new ATOM 0 HB3 GLU A 65 -7.232 -6.430 -7.366 1.00 0.69 H new ATOM 0 HG2 GLU A 65 -7.318 -8.615 -8.501 1.00 1.24 H new ATOM 0 HG3 GLU A 65 -9.070 -8.573 -8.487 1.00 1.24 H new ATOM 731 N ILE A 66 -5.839 -8.099 -5.649 1.00 0.46 N ATOM 732 CA ILE A 66 -4.615 -8.882 -5.538 1.00 0.46 C ATOM 733 C ILE A 66 -4.663 -9.825 -4.339 1.00 0.43 C ATOM 734 O ILE A 66 -4.262 -10.985 -4.442 1.00 0.48 O ATOM 735 CB ILE A 66 -3.366 -7.980 -5.429 1.00 0.54 C ATOM 736 CG1 ILE A 66 -3.221 -7.122 -6.688 1.00 0.66 C ATOM 737 CG2 ILE A 66 -2.114 -8.819 -5.215 1.00 0.64 C ATOM 738 CD1 ILE A 66 -2.015 -6.208 -6.662 1.00 0.53 C ATOM 0 H ILE A 66 -5.705 -7.091 -5.573 1.00 0.46 H new ATOM 0 HA ILE A 66 -4.542 -9.472 -6.452 1.00 0.46 H new ATOM 0 HB ILE A 66 -3.490 -7.323 -4.568 1.00 0.54 H new ATOM 0 HG12 ILE A 66 -3.152 -7.776 -7.557 1.00 0.66 H new ATOM 0 HG13 ILE A 66 -4.121 -6.519 -6.813 1.00 0.66 H new ATOM 0 HG21 ILE A 66 -1.246 -8.164 -5.141 1.00 0.64 H new ATOM 0 HG22 ILE A 66 -2.214 -9.394 -4.295 1.00 0.64 H new ATOM 0 HG23 ILE A 66 -1.984 -9.500 -6.056 1.00 0.64 H new ATOM 0 HD11 ILE A 66 -1.976 -5.631 -7.586 1.00 0.53 H new ATOM 0 HD12 ILE A 66 -2.091 -5.529 -5.813 1.00 0.53 H new ATOM 0 HD13 ILE A 66 -1.108 -6.805 -6.569 1.00 0.53 H new ATOM 750 N ALA A 67 -5.166 -9.326 -3.215 1.00 0.44 N ATOM 751 CA ALA A 67 -5.253 -10.115 -1.991 1.00 0.51 C ATOM 752 C ALA A 67 -6.125 -11.350 -2.192 1.00 0.55 C ATOM 753 O ALA A 67 -5.761 -12.456 -1.788 1.00 0.63 O ATOM 754 CB ALA A 67 -5.795 -9.266 -0.853 1.00 0.60 C ATOM 0 H ALA A 67 -5.521 -8.374 -3.126 1.00 0.44 H new ATOM 0 HA ALA A 67 -4.248 -10.450 -1.734 1.00 0.51 H new ATOM 0 HB1 ALA A 67 -5.854 -9.868 0.054 1.00 0.60 H new ATOM 0 HB2 ALA A 67 -5.131 -8.419 -0.683 1.00 0.60 H new ATOM 0 HB3 ALA A 67 -6.789 -8.902 -1.112 1.00 0.60 H new ATOM 760 N GLU A 68 -7.271 -11.154 -2.832 1.00 0.60 N ATOM 761 CA GLU A 68 -8.195 -12.246 -3.101 1.00 0.73 C ATOM 762 C GLU A 68 -7.594 -13.223 -4.106 1.00 0.73 C ATOM 763 O GLU A 68 -7.640 -14.441 -3.920 1.00 0.87 O ATOM 764 CB GLU A 68 -9.509 -11.699 -3.654 1.00 0.83 C ATOM 765 CG GLU A 68 -10.561 -12.771 -3.882 1.00 1.10 C ATOM 766 CD GLU A 68 -11.740 -12.272 -4.686 1.00 1.71 C ATOM 767 OE1 GLU A 68 -12.478 -11.398 -4.191 1.00 2.46 O ATOM 768 OE2 GLU A 68 -11.941 -12.766 -5.815 1.00 2.22 O ATOM 0 H GLU A 68 -7.583 -10.245 -3.175 1.00 0.60 H new ATOM 0 HA GLU A 68 -8.384 -12.770 -2.164 1.00 0.73 H new ATOM 0 HB2 GLU A 68 -9.904 -10.955 -2.963 1.00 0.83 H new ATOM 0 HB3 GLU A 68 -9.313 -11.187 -4.596 1.00 0.83 H new ATOM 0 HG2 GLU A 68 -10.106 -13.616 -4.399 1.00 1.10 H new ATOM 0 HG3 GLU A 68 -10.914 -13.139 -2.918 1.00 1.10 H new ATOM 775 N LYS A 69 -7.015 -12.675 -5.164 1.00 0.65 N ATOM 776 CA LYS A 69 -6.502 -13.476 -6.267 1.00 0.71 C ATOM 777 C LYS A 69 -5.078 -13.956 -5.997 1.00 0.73 C ATOM 778 O LYS A 69 -4.357 -14.335 -6.919 1.00 0.92 O ATOM 779 CB LYS A 69 -6.550 -12.662 -7.563 1.00 0.73 C ATOM 780 CG LYS A 69 -7.954 -12.213 -7.948 1.00 0.77 C ATOM 781 CD LYS A 69 -8.866 -13.402 -8.206 1.00 1.29 C ATOM 782 CE LYS A 69 -10.162 -12.987 -8.883 1.00 1.73 C ATOM 783 NZ LYS A 69 -10.885 -11.933 -8.125 1.00 2.41 N ATOM 0 H LYS A 69 -6.888 -11.670 -5.283 1.00 0.65 H new ATOM 0 HA LYS A 69 -7.134 -14.359 -6.368 1.00 0.71 H new ATOM 0 HB2 LYS A 69 -5.913 -11.784 -7.455 1.00 0.73 H new ATOM 0 HB3 LYS A 69 -6.133 -13.260 -8.374 1.00 0.73 H new ATOM 0 HG2 LYS A 69 -8.372 -11.598 -7.151 1.00 0.77 H new ATOM 0 HG3 LYS A 69 -7.906 -11.589 -8.840 1.00 0.77 H new ATOM 0 HD2 LYS A 69 -8.347 -14.129 -8.831 1.00 1.29 H new ATOM 0 HD3 LYS A 69 -9.092 -13.897 -7.262 1.00 1.29 H new ATOM 0 HE2 LYS A 69 -9.944 -12.624 -9.887 1.00 1.73 H new ATOM 0 HE3 LYS A 69 -10.807 -13.859 -8.993 1.00 1.73 H new ATOM 0 HZ1 LYS A 69 -11.822 -11.780 -8.550 1.00 2.41 H new ATOM 0 HZ2 LYS A 69 -10.999 -12.233 -7.136 1.00 2.41 H new ATOM 0 HZ3 LYS A 69 -10.341 -11.047 -8.158 1.00 2.41 H new ATOM 797 N ALA A 70 -4.674 -13.937 -4.735 1.00 0.67 N ATOM 798 CA ALA A 70 -3.359 -14.421 -4.348 1.00 0.71 C ATOM 799 C ALA A 70 -3.437 -15.865 -3.883 1.00 0.69 C ATOM 800 O ALA A 70 -4.110 -16.162 -2.894 1.00 0.68 O ATOM 801 CB ALA A 70 -2.774 -13.563 -3.244 1.00 0.78 C ATOM 0 H ALA A 70 -5.240 -13.590 -3.961 1.00 0.67 H new ATOM 0 HA ALA A 70 -2.711 -14.362 -5.222 1.00 0.71 H new ATOM 0 HB1 ALA A 70 -1.790 -13.943 -2.970 1.00 0.78 H new ATOM 0 HB2 ALA A 70 -2.681 -12.535 -3.593 1.00 0.78 H new ATOM 0 HB3 ALA A 70 -3.430 -13.593 -2.374 1.00 0.78 H new ATOM 807 N PRO A 71 -2.774 -16.784 -4.592 1.00 0.84 N ATOM 808 CA PRO A 71 -2.715 -18.186 -4.187 1.00 0.90 C ATOM 809 C PRO A 71 -1.897 -18.372 -2.915 1.00 0.81 C ATOM 810 O PRO A 71 -0.670 -18.249 -2.925 1.00 0.93 O ATOM 811 CB PRO A 71 -2.028 -18.883 -5.370 1.00 1.19 C ATOM 812 CG PRO A 71 -2.085 -17.902 -6.489 1.00 1.34 C ATOM 813 CD PRO A 71 -2.055 -16.549 -5.847 1.00 1.08 C ATOM 0 HA PRO A 71 -3.703 -18.588 -3.964 1.00 0.90 H new ATOM 0 HB2 PRO A 71 -0.998 -19.145 -5.128 1.00 1.19 H new ATOM 0 HB3 PRO A 71 -2.539 -19.809 -5.632 1.00 1.19 H new ATOM 0 HG2 PRO A 71 -1.241 -18.032 -7.167 1.00 1.34 H new ATOM 0 HG3 PRO A 71 -2.991 -18.035 -7.080 1.00 1.34 H new ATOM 0 HD2 PRO A 71 -1.036 -16.204 -5.673 1.00 1.08 H new ATOM 0 HD3 PRO A 71 -2.546 -15.796 -6.463 1.00 1.08 H new ATOM 821 N GLY A 72 -2.584 -18.657 -1.825 1.00 0.75 N ATOM 822 CA GLY A 72 -1.913 -18.939 -0.572 1.00 0.77 C ATOM 823 C GLY A 72 -1.910 -17.746 0.362 1.00 0.63 C ATOM 824 O GLY A 72 -2.846 -16.944 0.349 1.00 0.62 O ATOM 0 H GLY A 72 -3.602 -18.699 -1.782 1.00 0.75 H new ATOM 0 HA2 GLY A 72 -2.403 -19.780 -0.082 1.00 0.77 H new ATOM 0 HA3 GLY A 72 -0.886 -19.242 -0.773 1.00 0.77 H new ATOM 828 N PRO A 73 -0.874 -17.611 1.204 1.00 0.61 N ATOM 829 CA PRO A 73 -0.742 -16.476 2.117 1.00 0.58 C ATOM 830 C PRO A 73 -0.263 -15.218 1.398 1.00 0.48 C ATOM 831 O PRO A 73 0.567 -15.288 0.488 1.00 0.54 O ATOM 832 CB PRO A 73 0.303 -16.955 3.125 1.00 0.71 C ATOM 833 CG PRO A 73 1.139 -17.936 2.376 1.00 0.90 C ATOM 834 CD PRO A 73 0.247 -18.560 1.333 1.00 0.73 C ATOM 0 HA PRO A 73 -1.692 -16.198 2.574 1.00 0.58 H new ATOM 0 HB2 PRO A 73 0.905 -16.125 3.495 1.00 0.71 H new ATOM 0 HB3 PRO A 73 -0.168 -17.418 3.992 1.00 0.71 H new ATOM 0 HG2 PRO A 73 1.991 -17.442 1.910 1.00 0.90 H new ATOM 0 HG3 PRO A 73 1.539 -18.696 3.048 1.00 0.90 H new ATOM 0 HD2 PRO A 73 0.771 -18.689 0.386 1.00 0.73 H new ATOM 0 HD3 PRO A 73 -0.099 -19.546 1.643 1.00 0.73 H new ATOM 842 N VAL A 74 -0.786 -14.072 1.806 1.00 0.48 N ATOM 843 CA VAL A 74 -0.438 -12.811 1.173 1.00 0.46 C ATOM 844 C VAL A 74 -0.613 -11.653 2.153 1.00 0.44 C ATOM 845 O VAL A 74 -1.508 -11.673 3.001 1.00 0.56 O ATOM 846 CB VAL A 74 -1.296 -12.564 -0.092 1.00 0.62 C ATOM 847 CG1 VAL A 74 -2.772 -12.431 0.261 1.00 1.50 C ATOM 848 CG2 VAL A 74 -0.806 -11.339 -0.855 1.00 1.31 C ATOM 0 H VAL A 74 -1.453 -13.990 2.573 1.00 0.48 H new ATOM 0 HA VAL A 74 0.608 -12.869 0.873 1.00 0.46 H new ATOM 0 HB VAL A 74 -1.185 -13.432 -0.742 1.00 0.62 H new ATOM 0 HG11 VAL A 74 -3.349 -12.258 -0.647 1.00 1.50 H new ATOM 0 HG12 VAL A 74 -3.116 -13.348 0.740 1.00 1.50 H new ATOM 0 HG13 VAL A 74 -2.909 -11.592 0.943 1.00 1.50 H new ATOM 0 HG21 VAL A 74 -1.426 -11.189 -1.739 1.00 1.31 H new ATOM 0 HG22 VAL A 74 -0.870 -10.461 -0.213 1.00 1.31 H new ATOM 0 HG23 VAL A 74 0.229 -11.490 -1.160 1.00 1.31 H new ATOM 858 N LYS A 75 0.265 -10.667 2.052 1.00 0.44 N ATOM 859 CA LYS A 75 0.168 -9.461 2.858 1.00 0.52 C ATOM 860 C LYS A 75 0.241 -8.241 1.956 1.00 0.42 C ATOM 861 O LYS A 75 1.187 -8.096 1.182 1.00 0.45 O ATOM 862 CB LYS A 75 1.289 -9.412 3.901 1.00 0.76 C ATOM 863 CG LYS A 75 1.213 -10.517 4.943 1.00 1.20 C ATOM 864 CD LYS A 75 -0.059 -10.420 5.770 1.00 1.52 C ATOM 865 CE LYS A 75 -0.133 -11.528 6.805 1.00 1.90 C ATOM 866 NZ LYS A 75 -1.368 -11.440 7.628 1.00 2.58 N ATOM 0 H LYS A 75 1.060 -10.680 1.413 1.00 0.44 H new ATOM 0 HA LYS A 75 -0.786 -9.467 3.385 1.00 0.52 H new ATOM 0 HB2 LYS A 75 2.250 -9.474 3.390 1.00 0.76 H new ATOM 0 HB3 LYS A 75 1.259 -8.447 4.407 1.00 0.76 H new ATOM 0 HG2 LYS A 75 1.253 -11.488 4.448 1.00 1.20 H new ATOM 0 HG3 LYS A 75 2.080 -10.458 5.600 1.00 1.20 H new ATOM 0 HD2 LYS A 75 -0.098 -9.451 6.268 1.00 1.52 H new ATOM 0 HD3 LYS A 75 -0.927 -10.475 5.113 1.00 1.52 H new ATOM 0 HE2 LYS A 75 -0.100 -12.495 6.304 1.00 1.90 H new ATOM 0 HE3 LYS A 75 0.740 -11.476 7.455 1.00 1.90 H new ATOM 0 HZ1 LYS A 75 -1.584 -12.374 8.030 1.00 2.58 H new ATOM 0 HZ2 LYS A 75 -1.224 -10.756 8.398 1.00 2.58 H new ATOM 0 HZ3 LYS A 75 -2.161 -11.128 7.032 1.00 2.58 H new ATOM 880 N VAL A 76 -0.763 -7.383 2.032 1.00 0.42 N ATOM 881 CA VAL A 76 -0.815 -6.208 1.179 1.00 0.39 C ATOM 882 C VAL A 76 -0.728 -4.928 2.006 1.00 0.38 C ATOM 883 O VAL A 76 -1.402 -4.789 3.027 1.00 0.50 O ATOM 884 CB VAL A 76 -2.105 -6.181 0.333 1.00 0.53 C ATOM 885 CG1 VAL A 76 -2.038 -5.076 -0.709 1.00 0.88 C ATOM 886 CG2 VAL A 76 -2.352 -7.531 -0.330 1.00 1.16 C ATOM 0 H VAL A 76 -1.550 -7.478 2.673 1.00 0.42 H new ATOM 0 HA VAL A 76 0.043 -6.263 0.509 1.00 0.39 H new ATOM 0 HB VAL A 76 -2.942 -5.975 1.000 1.00 0.53 H new ATOM 0 HG11 VAL A 76 -2.957 -5.073 -1.296 1.00 0.88 H new ATOM 0 HG12 VAL A 76 -1.922 -4.113 -0.211 1.00 0.88 H new ATOM 0 HG13 VAL A 76 -1.187 -5.249 -1.368 1.00 0.88 H new ATOM 0 HG21 VAL A 76 -3.267 -7.485 -0.920 1.00 1.16 H new ATOM 0 HG22 VAL A 76 -1.513 -7.776 -0.981 1.00 1.16 H new ATOM 0 HG23 VAL A 76 -2.453 -8.300 0.436 1.00 1.16 H new ATOM 896 N LEU A 77 0.110 -4.007 1.559 1.00 0.35 N ATOM 897 CA LEU A 77 0.268 -2.715 2.207 1.00 0.41 C ATOM 898 C LEU A 77 -0.100 -1.602 1.232 1.00 0.39 C ATOM 899 O LEU A 77 0.364 -1.594 0.091 1.00 0.43 O ATOM 900 CB LEU A 77 1.714 -2.536 2.686 1.00 0.54 C ATOM 901 CG LEU A 77 2.012 -1.221 3.411 1.00 0.62 C ATOM 902 CD1 LEU A 77 1.297 -1.167 4.749 1.00 0.90 C ATOM 903 CD2 LEU A 77 3.507 -1.045 3.604 1.00 1.35 C ATOM 0 H LEU A 77 0.700 -4.134 0.737 1.00 0.35 H new ATOM 0 HA LEU A 77 -0.395 -2.668 3.071 1.00 0.41 H new ATOM 0 HB2 LEU A 77 1.962 -3.362 3.353 1.00 0.54 H new ATOM 0 HB3 LEU A 77 2.376 -2.613 1.823 1.00 0.54 H new ATOM 0 HG LEU A 77 1.643 -0.403 2.792 1.00 0.62 H new ATOM 0 HD11 LEU A 77 1.524 -0.223 5.245 1.00 0.90 H new ATOM 0 HD12 LEU A 77 0.221 -1.244 4.590 1.00 0.90 H new ATOM 0 HD13 LEU A 77 1.631 -1.995 5.374 1.00 0.90 H new ATOM 0 HD21 LEU A 77 3.699 -0.105 4.121 1.00 1.35 H new ATOM 0 HD22 LEU A 77 3.897 -1.872 4.198 1.00 1.35 H new ATOM 0 HD23 LEU A 77 4.000 -1.032 2.632 1.00 1.35 H new ATOM 915 N VAL A 78 -0.945 -0.680 1.669 1.00 0.37 N ATOM 916 CA VAL A 78 -1.357 0.435 0.824 1.00 0.36 C ATOM 917 C VAL A 78 -0.879 1.755 1.417 1.00 0.36 C ATOM 918 O VAL A 78 -1.128 2.045 2.590 1.00 0.38 O ATOM 919 CB VAL A 78 -2.889 0.487 0.638 1.00 0.40 C ATOM 920 CG1 VAL A 78 -3.274 1.592 -0.335 1.00 1.00 C ATOM 921 CG2 VAL A 78 -3.422 -0.858 0.166 1.00 1.01 C ATOM 0 H VAL A 78 -1.359 -0.680 2.601 1.00 0.37 H new ATOM 0 HA VAL A 78 -0.901 0.279 -0.153 1.00 0.36 H new ATOM 0 HB VAL A 78 -3.342 0.710 1.604 1.00 0.40 H new ATOM 0 HG11 VAL A 78 -4.357 1.612 -0.452 1.00 1.00 H new ATOM 0 HG12 VAL A 78 -2.933 2.552 0.052 1.00 1.00 H new ATOM 0 HG13 VAL A 78 -2.808 1.404 -1.302 1.00 1.00 H new ATOM 0 HG21 VAL A 78 -4.503 -0.798 0.042 1.00 1.01 H new ATOM 0 HG22 VAL A 78 -2.961 -1.118 -0.787 1.00 1.01 H new ATOM 0 HG23 VAL A 78 -3.184 -1.623 0.905 1.00 1.01 H new ATOM 931 N LEU A 79 -0.194 2.547 0.604 1.00 0.38 N ATOM 932 CA LEU A 79 0.378 3.808 1.055 1.00 0.40 C ATOM 933 C LEU A 79 -0.321 4.990 0.394 1.00 0.37 C ATOM 934 O LEU A 79 -0.035 5.328 -0.757 1.00 0.41 O ATOM 935 CB LEU A 79 1.886 3.870 0.750 1.00 0.46 C ATOM 936 CG LEU A 79 2.777 2.849 1.477 1.00 0.58 C ATOM 937 CD1 LEU A 79 2.466 2.810 2.965 1.00 1.23 C ATOM 938 CD2 LEU A 79 2.639 1.466 0.865 1.00 1.37 C ATOM 0 H LEU A 79 -0.020 2.336 -0.379 1.00 0.38 H new ATOM 0 HA LEU A 79 0.231 3.865 2.134 1.00 0.40 H new ATOM 0 HB2 LEU A 79 2.022 3.738 -0.323 1.00 0.46 H new ATOM 0 HB3 LEU A 79 2.243 4.870 0.996 1.00 0.46 H new ATOM 0 HG LEU A 79 3.811 3.171 1.355 1.00 0.58 H new ATOM 0 HD11 LEU A 79 3.111 2.079 3.453 1.00 1.23 H new ATOM 0 HD12 LEU A 79 2.640 3.795 3.399 1.00 1.23 H new ATOM 0 HD13 LEU A 79 1.423 2.528 3.112 1.00 1.23 H new ATOM 0 HD21 LEU A 79 3.281 0.766 1.400 1.00 1.37 H new ATOM 0 HD22 LEU A 79 1.602 1.137 0.939 1.00 1.37 H new ATOM 0 HD23 LEU A 79 2.935 1.501 -0.184 1.00 1.37 H new ATOM 950 N ILE A 80 -1.240 5.612 1.123 1.00 0.41 N ATOM 951 CA ILE A 80 -1.912 6.814 0.643 1.00 0.43 C ATOM 952 C ILE A 80 -1.013 8.019 0.873 1.00 0.41 C ATOM 953 O ILE A 80 -0.583 8.261 1.993 1.00 0.42 O ATOM 954 CB ILE A 80 -3.263 7.043 1.358 1.00 0.54 C ATOM 955 CG1 ILE A 80 -4.179 5.831 1.169 1.00 1.23 C ATOM 956 CG2 ILE A 80 -3.939 8.307 0.838 1.00 1.39 C ATOM 957 CD1 ILE A 80 -5.503 5.953 1.893 1.00 1.40 C ATOM 0 H ILE A 80 -1.537 5.304 2.049 1.00 0.41 H new ATOM 0 HA ILE A 80 -2.112 6.683 -0.420 1.00 0.43 H new ATOM 0 HB ILE A 80 -3.070 7.170 2.423 1.00 0.54 H new ATOM 0 HG12 ILE A 80 -4.368 5.691 0.105 1.00 1.23 H new ATOM 0 HG13 ILE A 80 -3.663 4.938 1.521 1.00 1.23 H new ATOM 0 HG21 ILE A 80 -4.888 8.450 1.354 1.00 1.39 H new ATOM 0 HG22 ILE A 80 -3.294 9.166 1.020 1.00 1.39 H new ATOM 0 HG23 ILE A 80 -4.119 8.209 -0.233 1.00 1.39 H new ATOM 0 HD11 ILE A 80 -6.099 5.058 1.714 1.00 1.40 H new ATOM 0 HD12 ILE A 80 -5.324 6.062 2.963 1.00 1.40 H new ATOM 0 HD13 ILE A 80 -6.040 6.827 1.524 1.00 1.40 H new ATOM 969 N THR A 81 -0.726 8.766 -0.175 1.00 0.60 N ATOM 970 CA THR A 81 0.236 9.850 -0.084 1.00 0.69 C ATOM 971 C THR A 81 -0.405 11.160 0.362 1.00 0.79 C ATOM 972 O THR A 81 -1.550 11.464 0.013 1.00 1.20 O ATOM 973 CB THR A 81 0.950 10.046 -1.429 1.00 1.13 C ATOM 974 OG1 THR A 81 -0.006 10.069 -2.500 1.00 2.07 O ATOM 975 CG2 THR A 81 1.947 8.927 -1.660 1.00 1.92 C ATOM 0 H THR A 81 -1.143 8.644 -1.098 1.00 0.60 H new ATOM 0 HA THR A 81 0.963 9.567 0.677 1.00 0.69 H new ATOM 0 HB THR A 81 1.480 10.998 -1.404 1.00 1.13 H new ATOM 0 HG1 THR A 81 0.251 9.414 -3.182 1.00 2.07 H new ATOM 0 HG21 THR A 81 2.447 9.077 -2.617 1.00 1.92 H new ATOM 0 HG22 THR A 81 2.687 8.928 -0.860 1.00 1.92 H new ATOM 0 HG23 THR A 81 1.425 7.970 -1.670 1.00 1.92 H new ATOM 983 N GLY A 82 0.339 11.921 1.155 1.00 0.73 N ATOM 984 CA GLY A 82 -0.125 13.213 1.609 1.00 1.09 C ATOM 985 C GLY A 82 -1.018 13.099 2.822 1.00 0.92 C ATOM 986 O GLY A 82 -0.708 12.365 3.760 1.00 1.03 O ATOM 0 H GLY A 82 1.265 11.660 1.494 1.00 0.73 H new ATOM 0 HA2 GLY A 82 0.732 13.843 1.848 1.00 1.09 H new ATOM 0 HA3 GLY A 82 -0.669 13.707 0.804 1.00 1.09 H new ATOM 990 N SER A 83 -2.105 13.849 2.817 1.00 1.03 N ATOM 991 CA SER A 83 -3.114 13.742 3.854 1.00 1.19 C ATOM 992 C SER A 83 -4.392 13.159 3.264 1.00 1.10 C ATOM 993 O SER A 83 -4.751 13.473 2.128 1.00 1.22 O ATOM 994 CB SER A 83 -3.385 15.113 4.478 1.00 1.61 C ATOM 995 OG SER A 83 -3.818 16.047 3.500 1.00 2.22 O ATOM 0 H SER A 83 -2.312 14.544 2.100 1.00 1.03 H new ATOM 0 HA SER A 83 -2.752 13.078 4.639 1.00 1.19 H new ATOM 0 HB2 SER A 83 -4.144 15.018 5.255 1.00 1.61 H new ATOM 0 HB3 SER A 83 -2.479 15.481 4.960 1.00 1.61 H new ATOM 0 HG SER A 83 -3.985 16.913 3.926 1.00 2.22 H new ATOM 1001 N ALA A 84 -5.068 12.306 4.014 1.00 1.02 N ATOM 1002 CA ALA A 84 -6.319 11.729 3.552 1.00 0.95 C ATOM 1003 C ALA A 84 -7.500 12.566 4.025 1.00 0.97 C ATOM 1004 O ALA A 84 -7.814 12.602 5.217 1.00 1.13 O ATOM 1005 CB ALA A 84 -6.454 10.291 4.024 1.00 0.97 C ATOM 0 H ALA A 84 -4.774 11.999 4.941 1.00 1.02 H new ATOM 0 HA ALA A 84 -6.315 11.729 2.462 1.00 0.95 H new ATOM 0 HB1 ALA A 84 -7.398 9.878 3.667 1.00 0.97 H new ATOM 0 HB2 ALA A 84 -5.627 9.700 3.630 1.00 0.97 H new ATOM 0 HB3 ALA A 84 -6.434 10.262 5.113 1.00 0.97 H new ATOM 1011 N ASP A 85 -8.140 13.246 3.082 1.00 0.89 N ATOM 1012 CA ASP A 85 -9.293 14.089 3.379 1.00 0.93 C ATOM 1013 C ASP A 85 -10.508 13.226 3.707 1.00 0.81 C ATOM 1014 O ASP A 85 -10.514 12.042 3.386 1.00 0.71 O ATOM 1015 CB ASP A 85 -9.590 15.008 2.191 1.00 1.02 C ATOM 1016 CG ASP A 85 -8.521 16.060 1.987 1.00 1.39 C ATOM 1017 OD1 ASP A 85 -8.453 17.007 2.798 1.00 2.07 O ATOM 1018 OD2 ASP A 85 -7.750 15.951 1.010 1.00 1.92 O ATOM 0 H ASP A 85 -7.878 13.230 2.096 1.00 0.89 H new ATOM 0 HA ASP A 85 -9.066 14.706 4.248 1.00 0.93 H new ATOM 0 HB2 ASP A 85 -9.681 14.408 1.286 1.00 1.02 H new ATOM 0 HB3 ASP A 85 -10.551 15.498 2.347 1.00 1.02 H new ATOM 1023 N PRO A 86 -11.540 13.800 4.362 1.00 0.92 N ATOM 1024 CA PRO A 86 -12.733 13.060 4.806 1.00 0.95 C ATOM 1025 C PRO A 86 -13.271 12.057 3.782 1.00 0.85 C ATOM 1026 O PRO A 86 -13.479 10.891 4.111 1.00 0.88 O ATOM 1027 CB PRO A 86 -13.747 14.172 5.046 1.00 1.11 C ATOM 1028 CG PRO A 86 -12.924 15.323 5.500 1.00 1.30 C ATOM 1029 CD PRO A 86 -11.621 15.227 4.751 1.00 1.11 C ATOM 0 HA PRO A 86 -12.512 12.442 5.676 1.00 0.95 H new ATOM 0 HB2 PRO A 86 -14.299 14.411 4.137 1.00 1.11 H new ATOM 0 HB3 PRO A 86 -14.481 13.886 5.799 1.00 1.11 H new ATOM 0 HG2 PRO A 86 -13.426 16.268 5.290 1.00 1.30 H new ATOM 0 HG3 PRO A 86 -12.758 15.283 6.577 1.00 1.30 H new ATOM 0 HD2 PRO A 86 -11.612 15.880 3.879 1.00 1.11 H new ATOM 0 HD3 PRO A 86 -10.778 15.519 5.377 1.00 1.11 H new ATOM 1037 N ASP A 87 -13.476 12.495 2.543 1.00 0.82 N ATOM 1038 CA ASP A 87 -14.027 11.610 1.515 1.00 0.86 C ATOM 1039 C ASP A 87 -13.019 10.546 1.122 1.00 0.74 C ATOM 1040 O ASP A 87 -13.343 9.362 1.062 1.00 0.79 O ATOM 1041 CB ASP A 87 -14.454 12.389 0.270 1.00 1.02 C ATOM 1042 CG ASP A 87 -15.611 13.324 0.533 1.00 1.66 C ATOM 1043 OD1 ASP A 87 -16.771 12.857 0.539 1.00 2.43 O ATOM 1044 OD2 ASP A 87 -15.369 14.531 0.727 1.00 2.21 O ATOM 0 H ASP A 87 -13.273 13.443 2.227 1.00 0.82 H new ATOM 0 HA ASP A 87 -14.908 11.133 1.944 1.00 0.86 H new ATOM 0 HB2 ASP A 87 -13.606 12.964 -0.102 1.00 1.02 H new ATOM 0 HB3 ASP A 87 -14.732 11.686 -0.515 1.00 1.02 H new ATOM 1049 N GLU A 88 -11.795 10.980 0.862 1.00 0.68 N ATOM 1050 CA GLU A 88 -10.710 10.078 0.494 1.00 0.67 C ATOM 1051 C GLU A 88 -10.508 9.013 1.567 1.00 0.55 C ATOM 1052 O GLU A 88 -10.343 7.830 1.267 1.00 0.54 O ATOM 1053 CB GLU A 88 -9.412 10.871 0.292 1.00 0.80 C ATOM 1054 CG GLU A 88 -9.356 11.673 -1.007 1.00 1.02 C ATOM 1055 CD GLU A 88 -10.538 12.607 -1.197 1.00 1.68 C ATOM 1056 OE1 GLU A 88 -10.741 13.503 -0.353 1.00 2.37 O ATOM 1057 OE2 GLU A 88 -11.266 12.448 -2.197 1.00 2.32 O ATOM 0 H GLU A 88 -11.525 11.963 0.899 1.00 0.68 H new ATOM 0 HA GLU A 88 -10.975 9.583 -0.440 1.00 0.67 H new ATOM 0 HB2 GLU A 88 -9.284 11.554 1.132 1.00 0.80 H new ATOM 0 HB3 GLU A 88 -8.571 10.178 0.313 1.00 0.80 H new ATOM 0 HG2 GLU A 88 -8.436 12.257 -1.024 1.00 1.02 H new ATOM 0 HG3 GLU A 88 -9.311 10.982 -1.849 1.00 1.02 H new ATOM 1064 N LYS A 89 -10.543 9.449 2.818 1.00 0.57 N ATOM 1065 CA LYS A 89 -10.380 8.563 3.961 1.00 0.62 C ATOM 1066 C LYS A 89 -11.548 7.585 4.055 1.00 0.59 C ATOM 1067 O LYS A 89 -11.357 6.409 4.345 1.00 0.64 O ATOM 1068 CB LYS A 89 -10.278 9.394 5.243 1.00 0.77 C ATOM 1069 CG LYS A 89 -10.060 8.574 6.506 1.00 1.34 C ATOM 1070 CD LYS A 89 -10.105 9.452 7.750 1.00 1.77 C ATOM 1071 CE LYS A 89 -8.930 10.414 7.814 1.00 2.39 C ATOM 1072 NZ LYS A 89 -7.652 9.713 8.103 1.00 2.81 N ATOM 0 H LYS A 89 -10.685 10.427 3.069 1.00 0.57 H new ATOM 0 HA LYS A 89 -9.464 7.986 3.833 1.00 0.62 H new ATOM 0 HB2 LYS A 89 -9.457 10.103 5.138 1.00 0.77 H new ATOM 0 HB3 LYS A 89 -11.191 9.979 5.357 1.00 0.77 H new ATOM 0 HG2 LYS A 89 -10.825 7.800 6.576 1.00 1.34 H new ATOM 0 HG3 LYS A 89 -9.097 8.066 6.451 1.00 1.34 H new ATOM 0 HD2 LYS A 89 -11.037 10.017 7.761 1.00 1.77 H new ATOM 0 HD3 LYS A 89 -10.105 8.821 8.639 1.00 1.77 H new ATOM 0 HE2 LYS A 89 -8.845 10.946 6.867 1.00 2.39 H new ATOM 0 HE3 LYS A 89 -9.115 11.162 8.585 1.00 2.39 H new ATOM 0 HZ1 LYS A 89 -6.899 10.414 8.256 1.00 2.81 H new ATOM 0 HZ2 LYS A 89 -7.761 9.130 8.958 1.00 2.81 H new ATOM 0 HZ3 LYS A 89 -7.401 9.104 7.298 1.00 2.81 H new ATOM 1086 N THR A 90 -12.752 8.078 3.794 1.00 0.62 N ATOM 1087 CA THR A 90 -13.947 7.249 3.863 1.00 0.69 C ATOM 1088 C THR A 90 -13.969 6.225 2.728 1.00 0.62 C ATOM 1089 O THR A 90 -14.295 5.055 2.945 1.00 0.69 O ATOM 1090 CB THR A 90 -15.220 8.116 3.821 1.00 0.86 C ATOM 1091 OG1 THR A 90 -15.196 9.051 4.909 1.00 1.33 O ATOM 1092 CG2 THR A 90 -16.474 7.261 3.919 1.00 1.17 C ATOM 0 H THR A 90 -12.926 9.048 3.533 1.00 0.62 H new ATOM 0 HA THR A 90 -13.924 6.712 4.811 1.00 0.69 H new ATOM 0 HB THR A 90 -15.241 8.646 2.869 1.00 0.86 H new ATOM 0 HG1 THR A 90 -14.760 9.879 4.619 1.00 1.33 H new ATOM 0 HG21 THR A 90 -17.355 7.902 3.887 1.00 1.17 H new ATOM 0 HG22 THR A 90 -16.503 6.561 3.084 1.00 1.17 H new ATOM 0 HG23 THR A 90 -16.464 6.706 4.857 1.00 1.17 H new ATOM 1100 N LYS A 91 -13.602 6.663 1.526 1.00 0.57 N ATOM 1101 CA LYS A 91 -13.538 5.769 0.375 1.00 0.64 C ATOM 1102 C LYS A 91 -12.510 4.673 0.602 1.00 0.63 C ATOM 1103 O LYS A 91 -12.743 3.509 0.268 1.00 0.73 O ATOM 1104 CB LYS A 91 -13.201 6.537 -0.902 1.00 0.73 C ATOM 1105 CG LYS A 91 -14.343 7.393 -1.420 1.00 1.06 C ATOM 1106 CD LYS A 91 -13.966 8.089 -2.716 1.00 1.51 C ATOM 1107 CE LYS A 91 -15.143 8.847 -3.302 1.00 1.83 C ATOM 1108 NZ LYS A 91 -14.777 9.548 -4.558 1.00 2.41 N ATOM 0 H LYS A 91 -13.345 7.629 1.325 1.00 0.57 H new ATOM 0 HA LYS A 91 -14.522 5.314 0.257 1.00 0.64 H new ATOM 0 HB2 LYS A 91 -12.337 7.175 -0.714 1.00 0.73 H new ATOM 0 HB3 LYS A 91 -12.911 5.827 -1.676 1.00 0.73 H new ATOM 0 HG2 LYS A 91 -15.223 6.770 -1.582 1.00 1.06 H new ATOM 0 HG3 LYS A 91 -14.612 8.137 -0.670 1.00 1.06 H new ATOM 0 HD2 LYS A 91 -13.142 8.779 -2.534 1.00 1.51 H new ATOM 0 HD3 LYS A 91 -13.611 7.352 -3.436 1.00 1.51 H new ATOM 0 HE2 LYS A 91 -15.961 8.153 -3.498 1.00 1.83 H new ATOM 0 HE3 LYS A 91 -15.507 9.572 -2.574 1.00 1.83 H new ATOM 0 HZ1 LYS A 91 -15.607 10.054 -4.928 1.00 2.41 H new ATOM 0 HZ2 LYS A 91 -14.014 10.228 -4.366 1.00 2.41 H new ATOM 0 HZ3 LYS A 91 -14.453 8.854 -5.261 1.00 2.41 H new ATOM 1122 N ALA A 92 -11.382 5.049 1.185 1.00 0.58 N ATOM 1123 CA ALA A 92 -10.338 4.096 1.495 1.00 0.67 C ATOM 1124 C ALA A 92 -10.795 3.172 2.607 1.00 0.68 C ATOM 1125 O ALA A 92 -10.585 1.966 2.544 1.00 0.78 O ATOM 1126 CB ALA A 92 -9.058 4.814 1.894 1.00 0.74 C ATOM 0 H ALA A 92 -11.170 6.010 1.452 1.00 0.58 H new ATOM 0 HA ALA A 92 -10.132 3.502 0.605 1.00 0.67 H new ATOM 0 HB1 ALA A 92 -8.285 4.080 2.123 1.00 0.74 H new ATOM 0 HB2 ALA A 92 -8.725 5.447 1.072 1.00 0.74 H new ATOM 0 HB3 ALA A 92 -9.245 5.430 2.773 1.00 0.74 H new ATOM 1132 N LYS A 93 -11.452 3.746 3.609 1.00 0.64 N ATOM 1133 CA LYS A 93 -11.901 2.990 4.768 1.00 0.71 C ATOM 1134 C LYS A 93 -12.888 1.900 4.371 1.00 0.70 C ATOM 1135 O LYS A 93 -12.677 0.733 4.681 1.00 0.79 O ATOM 1136 CB LYS A 93 -12.546 3.913 5.806 1.00 0.80 C ATOM 1137 CG LYS A 93 -12.864 3.217 7.122 1.00 1.09 C ATOM 1138 CD LYS A 93 -13.554 4.151 8.106 1.00 1.56 C ATOM 1139 CE LYS A 93 -14.990 4.449 7.698 1.00 2.00 C ATOM 1140 NZ LYS A 93 -15.882 3.269 7.872 1.00 2.44 N ATOM 0 H LYS A 93 -11.686 4.738 3.640 1.00 0.64 H new ATOM 0 HA LYS A 93 -11.021 2.520 5.207 1.00 0.71 H new ATOM 0 HB2 LYS A 93 -11.878 4.752 6.000 1.00 0.80 H new ATOM 0 HB3 LYS A 93 -13.465 4.327 5.391 1.00 0.80 H new ATOM 0 HG2 LYS A 93 -13.503 2.354 6.931 1.00 1.09 H new ATOM 0 HG3 LYS A 93 -11.942 2.840 7.565 1.00 1.09 H new ATOM 0 HD2 LYS A 93 -13.545 3.702 9.099 1.00 1.56 H new ATOM 0 HD3 LYS A 93 -12.995 5.084 8.173 1.00 1.56 H new ATOM 0 HE2 LYS A 93 -15.370 5.280 8.293 1.00 2.00 H new ATOM 0 HE3 LYS A 93 -15.011 4.767 6.656 1.00 2.00 H new ATOM 0 HZ1 LYS A 93 -16.829 3.492 7.503 1.00 2.44 H new ATOM 0 HZ2 LYS A 93 -15.490 2.458 7.352 1.00 2.44 H new ATOM 0 HZ3 LYS A 93 -15.951 3.032 8.882 1.00 2.44 H new ATOM 1154 N LYS A 94 -13.950 2.280 3.661 1.00 0.66 N ATOM 1155 CA LYS A 94 -15.014 1.339 3.311 1.00 0.71 C ATOM 1156 C LYS A 94 -14.465 0.152 2.522 1.00 0.67 C ATOM 1157 O LYS A 94 -14.910 -0.984 2.696 1.00 0.74 O ATOM 1158 CB LYS A 94 -16.126 2.032 2.512 1.00 0.78 C ATOM 1159 CG LYS A 94 -15.679 2.598 1.173 1.00 1.36 C ATOM 1160 CD LYS A 94 -16.862 3.101 0.360 1.00 1.79 C ATOM 1161 CE LYS A 94 -16.422 3.669 -0.981 1.00 2.57 C ATOM 1162 NZ LYS A 94 -15.656 2.683 -1.788 1.00 2.85 N ATOM 0 H LYS A 94 -14.096 3.229 3.318 1.00 0.66 H new ATOM 0 HA LYS A 94 -15.438 0.968 4.244 1.00 0.71 H new ATOM 0 HB2 LYS A 94 -16.932 1.318 2.340 1.00 0.78 H new ATOM 0 HB3 LYS A 94 -16.540 2.841 3.115 1.00 0.78 H new ATOM 0 HG2 LYS A 94 -14.976 3.414 1.338 1.00 1.36 H new ATOM 0 HG3 LYS A 94 -15.149 1.830 0.610 1.00 1.36 H new ATOM 0 HD2 LYS A 94 -17.565 2.284 0.196 1.00 1.79 H new ATOM 0 HD3 LYS A 94 -17.391 3.869 0.924 1.00 1.79 H new ATOM 0 HE2 LYS A 94 -17.299 3.991 -1.542 1.00 2.57 H new ATOM 0 HE3 LYS A 94 -15.808 4.554 -0.814 1.00 2.57 H new ATOM 0 HZ1 LYS A 94 -15.495 3.065 -2.742 1.00 2.85 H new ATOM 0 HZ2 LYS A 94 -14.741 2.496 -1.331 1.00 2.85 H new ATOM 0 HZ3 LYS A 94 -16.196 1.797 -1.857 1.00 2.85 H new ATOM 1176 N ALA A 95 -13.485 0.417 1.673 1.00 0.60 N ATOM 1177 CA ALA A 95 -12.885 -0.623 0.860 1.00 0.60 C ATOM 1178 C ALA A 95 -11.850 -1.408 1.663 1.00 0.57 C ATOM 1179 O ALA A 95 -11.694 -2.615 1.484 1.00 0.57 O ATOM 1180 CB ALA A 95 -12.259 -0.015 -0.386 1.00 0.63 C ATOM 0 H ALA A 95 -13.089 1.346 1.530 1.00 0.60 H new ATOM 0 HA ALA A 95 -13.665 -1.319 0.551 1.00 0.60 H new ATOM 0 HB1 ALA A 95 -11.811 -0.804 -0.990 1.00 0.63 H new ATOM 0 HB2 ALA A 95 -13.027 0.495 -0.967 1.00 0.63 H new ATOM 0 HB3 ALA A 95 -11.490 0.700 -0.095 1.00 0.63 H new ATOM 1186 N ALA A 96 -11.153 -0.716 2.558 1.00 0.57 N ATOM 1187 CA ALA A 96 -10.142 -1.342 3.400 1.00 0.58 C ATOM 1188 C ALA A 96 -10.779 -2.297 4.395 1.00 0.56 C ATOM 1189 O ALA A 96 -10.227 -3.347 4.696 1.00 0.59 O ATOM 1190 CB ALA A 96 -9.329 -0.291 4.135 1.00 0.64 C ATOM 0 H ALA A 96 -11.271 0.284 2.719 1.00 0.57 H new ATOM 0 HA ALA A 96 -9.475 -1.911 2.752 1.00 0.58 H new ATOM 0 HB1 ALA A 96 -8.580 -0.780 4.758 1.00 0.64 H new ATOM 0 HB2 ALA A 96 -8.833 0.357 3.412 1.00 0.64 H new ATOM 0 HB3 ALA A 96 -9.990 0.306 4.764 1.00 0.64 H new ATOM 1196 N GLU A 97 -11.945 -1.924 4.900 1.00 0.57 N ATOM 1197 CA GLU A 97 -12.677 -2.767 5.834 1.00 0.63 C ATOM 1198 C GLU A 97 -13.145 -4.044 5.143 1.00 0.55 C ATOM 1199 O GLU A 97 -13.264 -5.097 5.769 1.00 0.58 O ATOM 1200 CB GLU A 97 -13.862 -2.000 6.419 1.00 0.80 C ATOM 1201 CG GLU A 97 -13.446 -0.757 7.190 1.00 1.46 C ATOM 1202 CD GLU A 97 -14.617 -0.011 7.787 1.00 1.94 C ATOM 1203 OE1 GLU A 97 -15.197 0.854 7.099 1.00 2.62 O ATOM 1204 OE2 GLU A 97 -14.958 -0.281 8.956 1.00 2.39 O ATOM 0 H GLU A 97 -12.406 -1.041 4.678 1.00 0.57 H new ATOM 0 HA GLU A 97 -12.012 -3.047 6.651 1.00 0.63 H new ATOM 0 HB2 GLU A 97 -14.535 -1.711 5.611 1.00 0.80 H new ATOM 0 HB3 GLU A 97 -14.423 -2.660 7.081 1.00 0.80 H new ATOM 0 HG2 GLU A 97 -12.761 -1.044 7.988 1.00 1.46 H new ATOM 0 HG3 GLU A 97 -12.899 -0.090 6.524 1.00 1.46 H new ATOM 1211 N GLU A 98 -13.393 -3.943 3.844 1.00 0.55 N ATOM 1212 CA GLU A 98 -13.749 -5.099 3.036 1.00 0.57 C ATOM 1213 C GLU A 98 -12.499 -5.930 2.743 1.00 0.52 C ATOM 1214 O GLU A 98 -12.520 -7.162 2.792 1.00 0.60 O ATOM 1215 CB GLU A 98 -14.404 -4.637 1.729 1.00 0.66 C ATOM 1216 CG GLU A 98 -14.863 -5.770 0.826 1.00 1.40 C ATOM 1217 CD GLU A 98 -15.978 -6.593 1.435 1.00 1.82 C ATOM 1218 OE1 GLU A 98 -17.156 -6.213 1.276 1.00 2.06 O ATOM 1219 OE2 GLU A 98 -15.687 -7.629 2.065 1.00 2.66 O ATOM 0 H GLU A 98 -13.353 -3.065 3.326 1.00 0.55 H new ATOM 0 HA GLU A 98 -14.460 -5.718 3.583 1.00 0.57 H new ATOM 0 HB2 GLU A 98 -15.262 -4.008 1.968 1.00 0.66 H new ATOM 0 HB3 GLU A 98 -13.696 -4.015 1.181 1.00 0.66 H new ATOM 0 HG2 GLU A 98 -15.201 -5.357 -0.124 1.00 1.40 H new ATOM 0 HG3 GLU A 98 -14.016 -6.420 0.608 1.00 1.40 H new ATOM 1226 N ALA A 99 -11.401 -5.240 2.466 1.00 0.46 N ATOM 1227 CA ALA A 99 -10.135 -5.890 2.153 1.00 0.49 C ATOM 1228 C ALA A 99 -9.457 -6.431 3.410 1.00 0.46 C ATOM 1229 O ALA A 99 -8.530 -7.237 3.328 1.00 0.50 O ATOM 1230 CB ALA A 99 -9.217 -4.916 1.431 1.00 0.58 C ATOM 0 H ALA A 99 -11.362 -4.221 2.452 1.00 0.46 H new ATOM 0 HA ALA A 99 -10.342 -6.738 1.501 1.00 0.49 H new ATOM 0 HB1 ALA A 99 -8.273 -5.409 1.200 1.00 0.58 H new ATOM 0 HB2 ALA A 99 -9.690 -4.588 0.506 1.00 0.58 H new ATOM 0 HB3 ALA A 99 -9.029 -4.052 2.069 1.00 0.58 H new ATOM 1236 N ARG A 100 -9.934 -5.992 4.571 1.00 0.47 N ATOM 1237 CA ARG A 100 -9.398 -6.436 5.857 1.00 0.53 C ATOM 1238 C ARG A 100 -9.526 -7.948 6.002 1.00 0.51 C ATOM 1239 O ARG A 100 -8.771 -8.581 6.740 1.00 0.56 O ATOM 1240 CB ARG A 100 -10.129 -5.740 7.010 1.00 0.64 C ATOM 1241 CG ARG A 100 -9.633 -6.161 8.386 1.00 1.22 C ATOM 1242 CD ARG A 100 -10.417 -5.493 9.501 1.00 1.52 C ATOM 1243 NE ARG A 100 -9.946 -5.910 10.823 1.00 2.17 N ATOM 1244 CZ ARG A 100 -10.372 -5.383 11.971 1.00 2.86 C ATOM 1245 NH1 ARG A 100 -11.284 -4.420 11.965 1.00 2.99 N ATOM 1246 NH2 ARG A 100 -9.884 -5.818 13.126 1.00 3.77 N ATOM 0 H ARG A 100 -10.699 -5.322 4.649 1.00 0.47 H new ATOM 0 HA ARG A 100 -8.342 -6.169 5.893 1.00 0.53 H new ATOM 0 HB2 ARG A 100 -10.013 -4.661 6.905 1.00 0.64 H new ATOM 0 HB3 ARG A 100 -11.195 -5.954 6.936 1.00 0.64 H new ATOM 0 HG2 ARG A 100 -9.713 -7.244 8.485 1.00 1.22 H new ATOM 0 HG3 ARG A 100 -8.577 -5.909 8.484 1.00 1.22 H new ATOM 0 HD2 ARG A 100 -10.329 -4.410 9.409 1.00 1.52 H new ATOM 0 HD3 ARG A 100 -11.474 -5.737 9.398 1.00 1.52 H new ATOM 0 HE ARG A 100 -9.247 -6.651 10.869 1.00 2.17 H new ATOM 0 HH11 ARG A 100 -11.661 -4.081 11.080 1.00 2.99 H new ATOM 0 HH12 ARG A 100 -11.608 -4.019 12.845 1.00 2.99 H new ATOM 0 HH21 ARG A 100 -9.181 -6.557 13.137 1.00 3.77 H new ATOM 0 HH22 ARG A 100 -10.212 -5.413 14.003 1.00 3.77 H new ATOM 1260 N LYS A 101 -10.471 -8.523 5.268 1.00 0.51 N ATOM 1261 CA LYS A 101 -10.705 -9.959 5.302 1.00 0.58 C ATOM 1262 C LYS A 101 -9.494 -10.731 4.775 1.00 0.63 C ATOM 1263 O LYS A 101 -9.375 -11.932 5.002 1.00 0.81 O ATOM 1264 CB LYS A 101 -11.955 -10.308 4.493 1.00 0.74 C ATOM 1265 CG LYS A 101 -13.233 -9.721 5.074 1.00 1.37 C ATOM 1266 CD LYS A 101 -14.438 -10.036 4.202 1.00 1.81 C ATOM 1267 CE LYS A 101 -15.720 -9.451 4.773 1.00 2.63 C ATOM 1268 NZ LYS A 101 -16.080 -10.054 6.084 1.00 3.24 N ATOM 0 H LYS A 101 -11.090 -8.012 4.639 1.00 0.51 H new ATOM 0 HA LYS A 101 -10.861 -10.253 6.340 1.00 0.58 H new ATOM 0 HB2 LYS A 101 -11.830 -9.948 3.472 1.00 0.74 H new ATOM 0 HB3 LYS A 101 -12.053 -11.392 4.439 1.00 0.74 H new ATOM 0 HG2 LYS A 101 -13.394 -10.118 6.076 1.00 1.37 H new ATOM 0 HG3 LYS A 101 -13.126 -8.641 5.173 1.00 1.37 H new ATOM 0 HD2 LYS A 101 -14.274 -9.641 3.199 1.00 1.81 H new ATOM 0 HD3 LYS A 101 -14.544 -11.117 4.105 1.00 1.81 H new ATOM 0 HE2 LYS A 101 -15.604 -8.374 4.891 1.00 2.63 H new ATOM 0 HE3 LYS A 101 -16.535 -9.609 4.067 1.00 2.63 H new ATOM 0 HZ1 LYS A 101 -17.038 -9.753 6.353 1.00 3.24 H new ATOM 0 HZ2 LYS A 101 -16.051 -11.091 6.009 1.00 3.24 H new ATOM 0 HZ3 LYS A 101 -15.403 -9.740 6.808 1.00 3.24 H new ATOM 1282 N TRP A 102 -8.597 -10.039 4.075 1.00 0.57 N ATOM 1283 CA TRP A 102 -7.365 -10.653 3.590 1.00 0.71 C ATOM 1284 C TRP A 102 -6.144 -9.953 4.178 1.00 0.64 C ATOM 1285 O TRP A 102 -5.015 -10.171 3.741 1.00 0.73 O ATOM 1286 CB TRP A 102 -7.299 -10.617 2.064 1.00 0.84 C ATOM 1287 CG TRP A 102 -8.424 -11.345 1.401 1.00 1.11 C ATOM 1288 CD1 TRP A 102 -8.656 -12.689 1.426 1.00 2.13 C ATOM 1289 CD2 TRP A 102 -9.465 -10.770 0.604 1.00 1.10 C ATOM 1290 NE1 TRP A 102 -9.783 -12.985 0.701 1.00 2.16 N ATOM 1291 CE2 TRP A 102 -10.298 -11.824 0.187 1.00 1.38 C ATOM 1292 CE3 TRP A 102 -9.777 -9.468 0.209 1.00 2.00 C ATOM 1293 CZ2 TRP A 102 -11.418 -11.616 -0.609 1.00 1.59 C ATOM 1294 CZ3 TRP A 102 -10.890 -9.265 -0.582 1.00 2.65 C ATOM 1295 CH2 TRP A 102 -11.700 -10.333 -0.982 1.00 2.21 C ATOM 0 H TRP A 102 -8.701 -9.054 3.832 1.00 0.57 H new ATOM 0 HA TRP A 102 -7.364 -11.694 3.914 1.00 0.71 H new ATOM 0 HB2 TRP A 102 -7.303 -9.579 1.732 1.00 0.84 H new ATOM 0 HB3 TRP A 102 -6.354 -11.052 1.739 1.00 0.84 H new ATOM 0 HD1 TRP A 102 -8.043 -13.414 1.941 1.00 2.13 H new ATOM 0 HE1 TRP A 102 -10.174 -13.918 0.567 1.00 2.16 H new ATOM 0 HE3 TRP A 102 -9.160 -8.636 0.516 1.00 2.00 H new ATOM 0 HZ2 TRP A 102 -12.043 -12.440 -0.921 1.00 1.59 H new ATOM 0 HZ3 TRP A 102 -11.140 -8.263 -0.898 1.00 2.65 H new ATOM 0 HH2 TRP A 102 -12.566 -10.139 -1.598 1.00 2.21 H new ATOM 1306 N ASN A 103 -6.405 -9.119 5.183 1.00 0.56 N ATOM 1307 CA ASN A 103 -5.374 -8.342 5.875 1.00 0.64 C ATOM 1308 C ASN A 103 -4.645 -7.406 4.912 1.00 0.56 C ATOM 1309 O ASN A 103 -3.490 -7.631 4.538 1.00 0.70 O ATOM 1310 CB ASN A 103 -4.384 -9.264 6.599 1.00 0.89 C ATOM 1311 CG ASN A 103 -3.530 -8.534 7.627 1.00 1.17 C ATOM 1312 OD1 ASN A 103 -3.164 -7.373 7.452 1.00 1.58 O ATOM 1313 ND2 ASN A 103 -3.229 -9.209 8.726 1.00 2.00 N ATOM 0 H ASN A 103 -7.346 -8.961 5.544 1.00 0.56 H new ATOM 0 HA ASN A 103 -5.871 -7.726 6.624 1.00 0.64 H new ATOM 0 HB2 ASN A 103 -4.936 -10.062 7.095 1.00 0.89 H new ATOM 0 HB3 ASN A 103 -3.732 -9.736 5.864 1.00 0.89 H new ATOM 0 HD21 ASN A 103 -2.677 -8.767 9.461 1.00 2.00 H new ATOM 0 HD22 ASN A 103 -3.549 -10.171 8.838 1.00 2.00 H new ATOM 1320 N VAL A 104 -5.341 -6.356 4.504 1.00 0.46 N ATOM 1321 CA VAL A 104 -4.754 -5.328 3.662 1.00 0.45 C ATOM 1322 C VAL A 104 -4.528 -4.063 4.481 1.00 0.48 C ATOM 1323 O VAL A 104 -5.470 -3.336 4.800 1.00 0.63 O ATOM 1324 CB VAL A 104 -5.644 -5.010 2.442 1.00 0.45 C ATOM 1325 CG1 VAL A 104 -5.058 -3.868 1.625 1.00 0.73 C ATOM 1326 CG2 VAL A 104 -5.823 -6.249 1.577 1.00 0.99 C ATOM 0 H VAL A 104 -6.319 -6.194 4.745 1.00 0.46 H new ATOM 0 HA VAL A 104 -3.802 -5.704 3.288 1.00 0.45 H new ATOM 0 HB VAL A 104 -6.622 -4.697 2.807 1.00 0.45 H new ATOM 0 HG11 VAL A 104 -5.703 -3.663 0.771 1.00 0.73 H new ATOM 0 HG12 VAL A 104 -4.985 -2.976 2.247 1.00 0.73 H new ATOM 0 HG13 VAL A 104 -4.065 -4.146 1.271 1.00 0.73 H new ATOM 0 HG21 VAL A 104 -6.453 -6.007 0.721 1.00 0.99 H new ATOM 0 HG22 VAL A 104 -4.850 -6.591 1.226 1.00 0.99 H new ATOM 0 HG23 VAL A 104 -6.295 -7.037 2.164 1.00 0.99 H new ATOM 1336 N ARG A 105 -3.275 -3.805 4.810 1.00 0.45 N ATOM 1337 CA ARG A 105 -2.925 -2.713 5.702 1.00 0.48 C ATOM 1338 C ARG A 105 -2.755 -1.413 4.927 1.00 0.44 C ATOM 1339 O ARG A 105 -1.727 -1.174 4.302 1.00 0.51 O ATOM 1340 CB ARG A 105 -1.638 -3.055 6.463 1.00 0.59 C ATOM 1341 CG ARG A 105 -1.189 -2.000 7.474 1.00 1.28 C ATOM 1342 CD ARG A 105 -2.231 -1.755 8.559 1.00 1.72 C ATOM 1343 NE ARG A 105 -3.268 -0.811 8.134 1.00 2.38 N ATOM 1344 CZ ARG A 105 -4.563 -0.939 8.421 1.00 3.11 C ATOM 1345 NH1 ARG A 105 -4.999 -1.994 9.097 1.00 3.33 N ATOM 1346 NH2 ARG A 105 -5.423 -0.009 8.025 1.00 4.06 N ATOM 0 H ARG A 105 -2.477 -4.341 4.470 1.00 0.45 H new ATOM 0 HA ARG A 105 -3.736 -2.575 6.418 1.00 0.48 H new ATOM 0 HB2 ARG A 105 -1.783 -4.000 6.986 1.00 0.59 H new ATOM 0 HB3 ARG A 105 -0.836 -3.210 5.741 1.00 0.59 H new ATOM 0 HG2 ARG A 105 -0.255 -2.318 7.936 1.00 1.28 H new ATOM 0 HG3 ARG A 105 -0.984 -1.065 6.953 1.00 1.28 H new ATOM 0 HD2 ARG A 105 -2.696 -2.702 8.833 1.00 1.72 H new ATOM 0 HD3 ARG A 105 -1.738 -1.371 9.452 1.00 1.72 H new ATOM 0 HE ARG A 105 -2.980 -0.003 7.582 1.00 2.38 H new ATOM 0 HH11 ARG A 105 -4.342 -2.713 9.400 1.00 3.33 H new ATOM 0 HH12 ARG A 105 -5.991 -2.086 9.314 1.00 3.33 H new ATOM 0 HH21 ARG A 105 -5.092 0.802 7.502 1.00 4.06 H new ATOM 0 HH22 ARG A 105 -6.415 -0.105 8.244 1.00 4.06 H new ATOM 1360 N VAL A 106 -3.780 -0.583 4.960 1.00 0.47 N ATOM 1361 CA VAL A 106 -3.710 0.734 4.352 1.00 0.48 C ATOM 1362 C VAL A 106 -3.316 1.774 5.394 1.00 0.50 C ATOM 1363 O VAL A 106 -3.804 1.747 6.527 1.00 0.64 O ATOM 1364 CB VAL A 106 -5.055 1.134 3.698 1.00 0.63 C ATOM 1365 CG1 VAL A 106 -6.195 1.065 4.703 1.00 1.26 C ATOM 1366 CG2 VAL A 106 -4.966 2.527 3.089 1.00 1.58 C ATOM 0 H VAL A 106 -4.674 -0.797 5.402 1.00 0.47 H new ATOM 0 HA VAL A 106 -2.952 0.695 3.569 1.00 0.48 H new ATOM 0 HB VAL A 106 -5.263 0.421 2.900 1.00 0.63 H new ATOM 0 HG11 VAL A 106 -7.127 1.351 4.216 1.00 1.26 H new ATOM 0 HG12 VAL A 106 -6.282 0.048 5.085 1.00 1.26 H new ATOM 0 HG13 VAL A 106 -5.993 1.747 5.529 1.00 1.26 H new ATOM 0 HG21 VAL A 106 -5.922 2.787 2.635 1.00 1.58 H new ATOM 0 HG22 VAL A 106 -4.725 3.250 3.868 1.00 1.58 H new ATOM 0 HG23 VAL A 106 -4.187 2.542 2.327 1.00 1.58 H new ATOM 1376 N ARG A 107 -2.403 2.657 5.028 1.00 0.46 N ATOM 1377 CA ARG A 107 -2.011 3.747 5.904 1.00 0.58 C ATOM 1378 C ARG A 107 -1.581 4.955 5.084 1.00 0.49 C ATOM 1379 O ARG A 107 -1.327 4.844 3.884 1.00 0.48 O ATOM 1380 CB ARG A 107 -0.897 3.292 6.847 1.00 0.74 C ATOM 1381 CG ARG A 107 0.392 2.892 6.152 1.00 1.02 C ATOM 1382 CD ARG A 107 1.313 2.164 7.114 1.00 0.90 C ATOM 1383 NE ARG A 107 1.396 2.845 8.403 1.00 1.58 N ATOM 1384 CZ ARG A 107 1.623 2.225 9.560 1.00 2.15 C ATOM 1385 NH1 ARG A 107 1.854 0.920 9.586 1.00 2.26 N ATOM 1386 NH2 ARG A 107 1.635 2.919 10.690 1.00 3.00 N ATOM 0 H ARG A 107 -1.919 2.640 4.130 1.00 0.46 H new ATOM 0 HA ARG A 107 -2.867 4.041 6.511 1.00 0.58 H new ATOM 0 HB2 ARG A 107 -0.681 4.097 7.549 1.00 0.74 H new ATOM 0 HB3 ARG A 107 -1.257 2.446 7.433 1.00 0.74 H new ATOM 0 HG2 ARG A 107 0.168 2.251 5.299 1.00 1.02 H new ATOM 0 HG3 ARG A 107 0.892 3.779 5.762 1.00 1.02 H new ATOM 0 HD2 ARG A 107 0.952 1.146 7.263 1.00 0.90 H new ATOM 0 HD3 ARG A 107 2.309 2.089 6.678 1.00 0.90 H new ATOM 0 HE ARG A 107 1.273 3.857 8.418 1.00 1.58 H new ATOM 0 HH11 ARG A 107 1.859 0.385 8.717 1.00 2.26 H new ATOM 0 HH12 ARG A 107 2.027 0.450 10.475 1.00 2.26 H new ATOM 0 HH21 ARG A 107 1.471 3.926 10.672 1.00 3.00 H new ATOM 0 HH22 ARG A 107 1.809 2.446 11.577 1.00 3.00 H new ATOM 1400 N THR A 108 -1.519 6.107 5.730 1.00 0.56 N ATOM 1401 CA THR A 108 -1.215 7.348 5.043 1.00 0.51 C ATOM 1402 C THR A 108 0.237 7.764 5.267 1.00 0.52 C ATOM 1403 O THR A 108 0.734 7.754 6.394 1.00 0.66 O ATOM 1404 CB THR A 108 -2.165 8.466 5.510 1.00 0.59 C ATOM 1405 OG1 THR A 108 -3.517 7.999 5.428 1.00 0.86 O ATOM 1406 CG2 THR A 108 -2.011 9.714 4.655 1.00 0.68 C ATOM 0 H THR A 108 -1.676 6.207 6.733 1.00 0.56 H new ATOM 0 HA THR A 108 -1.359 7.183 3.975 1.00 0.51 H new ATOM 0 HB THR A 108 -1.914 8.724 6.539 1.00 0.59 H new ATOM 0 HG1 THR A 108 -4.126 8.707 5.726 1.00 0.86 H new ATOM 0 HG21 THR A 108 -2.695 10.485 5.010 1.00 0.68 H new ATOM 0 HG22 THR A 108 -0.986 10.078 4.724 1.00 0.68 H new ATOM 0 HG23 THR A 108 -2.241 9.475 3.617 1.00 0.68 H new ATOM 1414 N VAL A 109 0.905 8.112 4.178 1.00 0.47 N ATOM 1415 CA VAL A 109 2.292 8.540 4.209 1.00 0.55 C ATOM 1416 C VAL A 109 2.402 10.005 3.805 1.00 0.57 C ATOM 1417 O VAL A 109 2.131 10.364 2.658 1.00 0.62 O ATOM 1418 CB VAL A 109 3.158 7.692 3.252 1.00 0.67 C ATOM 1419 CG1 VAL A 109 4.577 8.236 3.178 1.00 1.51 C ATOM 1420 CG2 VAL A 109 3.166 6.238 3.688 1.00 1.05 C ATOM 0 H VAL A 109 0.496 8.105 3.243 1.00 0.47 H new ATOM 0 HA VAL A 109 2.655 8.408 5.228 1.00 0.55 H new ATOM 0 HB VAL A 109 2.720 7.751 2.256 1.00 0.67 H new ATOM 0 HG11 VAL A 109 5.167 7.622 2.498 1.00 1.51 H new ATOM 0 HG12 VAL A 109 4.554 9.263 2.813 1.00 1.51 H new ATOM 0 HG13 VAL A 109 5.027 8.214 4.170 1.00 1.51 H new ATOM 0 HG21 VAL A 109 3.781 5.656 3.002 1.00 1.05 H new ATOM 0 HG22 VAL A 109 3.575 6.162 4.695 1.00 1.05 H new ATOM 0 HG23 VAL A 109 2.147 5.850 3.680 1.00 1.05 H new ATOM 1430 N THR A 110 2.793 10.844 4.743 1.00 0.70 N ATOM 1431 CA THR A 110 2.955 12.257 4.465 1.00 0.84 C ATOM 1432 C THR A 110 4.435 12.582 4.280 1.00 0.84 C ATOM 1433 O THR A 110 4.802 13.529 3.582 1.00 0.97 O ATOM 1434 CB THR A 110 2.370 13.105 5.608 1.00 1.02 C ATOM 1435 OG1 THR A 110 1.177 12.481 6.109 1.00 1.55 O ATOM 1436 CG2 THR A 110 2.038 14.508 5.129 1.00 1.45 C ATOM 0 H THR A 110 3.004 10.573 5.703 1.00 0.70 H new ATOM 0 HA THR A 110 2.416 12.495 3.548 1.00 0.84 H new ATOM 0 HB THR A 110 3.116 13.174 6.399 1.00 1.02 H new ATOM 0 HG1 THR A 110 0.516 12.413 5.389 1.00 1.55 H new ATOM 0 HG21 THR A 110 1.626 15.087 5.956 1.00 1.45 H new ATOM 0 HG22 THR A 110 2.944 14.991 4.763 1.00 1.45 H new ATOM 0 HG23 THR A 110 1.305 14.454 4.324 1.00 1.45 H new ATOM 1444 N SER A 111 5.280 11.770 4.896 1.00 0.79 N ATOM 1445 CA SER A 111 6.722 11.932 4.806 1.00 0.85 C ATOM 1446 C SER A 111 7.373 10.613 4.393 1.00 0.76 C ATOM 1447 O SER A 111 6.989 9.547 4.871 1.00 0.69 O ATOM 1448 CB SER A 111 7.267 12.400 6.156 1.00 0.96 C ATOM 1449 OG SER A 111 6.754 11.608 7.215 1.00 1.52 O ATOM 0 H SER A 111 4.986 10.981 5.472 1.00 0.79 H new ATOM 0 HA SER A 111 6.957 12.682 4.050 1.00 0.85 H new ATOM 0 HB2 SER A 111 8.356 12.345 6.151 1.00 0.96 H new ATOM 0 HB3 SER A 111 7.001 13.445 6.317 1.00 0.96 H new ATOM 0 HG SER A 111 5.830 11.351 7.013 1.00 1.52 H new ATOM 1455 N PRO A 112 8.363 10.682 3.476 1.00 0.82 N ATOM 1456 CA PRO A 112 9.057 9.500 2.933 1.00 0.80 C ATOM 1457 C PRO A 112 9.618 8.571 4.005 1.00 0.70 C ATOM 1458 O PRO A 112 9.753 7.368 3.776 1.00 0.74 O ATOM 1459 CB PRO A 112 10.196 10.099 2.107 1.00 0.95 C ATOM 1460 CG PRO A 112 9.719 11.457 1.729 1.00 1.05 C ATOM 1461 CD PRO A 112 8.872 11.934 2.875 1.00 0.97 C ATOM 0 HA PRO A 112 8.369 8.874 2.364 1.00 0.80 H new ATOM 0 HB2 PRO A 112 11.119 10.151 2.685 1.00 0.95 H new ATOM 0 HB3 PRO A 112 10.406 9.494 1.225 1.00 0.95 H new ATOM 0 HG2 PRO A 112 10.558 12.131 1.557 1.00 1.05 H new ATOM 0 HG3 PRO A 112 9.142 11.424 0.805 1.00 1.05 H new ATOM 0 HD2 PRO A 112 9.455 12.514 3.590 1.00 0.97 H new ATOM 0 HD3 PRO A 112 8.059 12.574 2.533 1.00 0.97 H new ATOM 1469 N ASP A 113 9.944 9.129 5.166 1.00 0.67 N ATOM 1470 CA ASP A 113 10.463 8.342 6.277 1.00 0.66 C ATOM 1471 C ASP A 113 9.445 7.296 6.723 1.00 0.59 C ATOM 1472 O ASP A 113 9.809 6.179 7.102 1.00 0.63 O ATOM 1473 CB ASP A 113 10.823 9.247 7.457 1.00 0.74 C ATOM 1474 CG ASP A 113 11.395 8.469 8.624 1.00 1.73 C ATOM 1475 OD1 ASP A 113 12.594 8.118 8.577 1.00 2.48 O ATOM 1476 OD2 ASP A 113 10.652 8.203 9.590 1.00 2.44 O ATOM 0 H ASP A 113 9.857 10.126 5.362 1.00 0.67 H new ATOM 0 HA ASP A 113 11.363 7.832 5.933 1.00 0.66 H new ATOM 0 HB2 ASP A 113 11.547 9.994 7.131 1.00 0.74 H new ATOM 0 HB3 ASP A 113 9.934 9.786 7.783 1.00 0.74 H new ATOM 1481 N GLU A 114 8.170 7.664 6.657 1.00 0.57 N ATOM 1482 CA GLU A 114 7.091 6.770 7.046 1.00 0.60 C ATOM 1483 C GLU A 114 7.039 5.562 6.124 1.00 0.52 C ATOM 1484 O GLU A 114 7.143 4.427 6.575 1.00 0.52 O ATOM 1485 CB GLU A 114 5.750 7.503 7.021 1.00 0.73 C ATOM 1486 CG GLU A 114 5.674 8.658 7.998 1.00 1.18 C ATOM 1487 CD GLU A 114 4.392 9.447 7.864 1.00 1.99 C ATOM 1488 OE1 GLU A 114 3.459 9.217 8.659 1.00 2.63 O ATOM 1489 OE2 GLU A 114 4.317 10.314 6.971 1.00 2.70 O ATOM 0 H GLU A 114 7.860 8.581 6.336 1.00 0.57 H new ATOM 0 HA GLU A 114 7.285 6.428 8.063 1.00 0.60 H new ATOM 0 HB2 GLU A 114 5.568 7.877 6.014 1.00 0.73 H new ATOM 0 HB3 GLU A 114 4.953 6.794 7.246 1.00 0.73 H new ATOM 0 HG2 GLU A 114 5.756 8.275 9.015 1.00 1.18 H new ATOM 0 HG3 GLU A 114 6.524 9.322 7.838 1.00 1.18 H new ATOM 1496 N ALA A 115 6.899 5.813 4.827 1.00 0.55 N ATOM 1497 CA ALA A 115 6.804 4.738 3.845 1.00 0.58 C ATOM 1498 C ALA A 115 7.971 3.772 3.980 1.00 0.51 C ATOM 1499 O ALA A 115 7.783 2.557 4.003 1.00 0.51 O ATOM 1500 CB ALA A 115 6.755 5.306 2.434 1.00 0.70 C ATOM 0 H ALA A 115 6.849 6.752 4.431 1.00 0.55 H new ATOM 0 HA ALA A 115 5.881 4.190 4.036 1.00 0.58 H new ATOM 0 HB1 ALA A 115 6.684 4.490 1.715 1.00 0.70 H new ATOM 0 HB2 ALA A 115 5.885 5.955 2.333 1.00 0.70 H new ATOM 0 HB3 ALA A 115 7.661 5.881 2.242 1.00 0.70 H new ATOM 1506 N LYS A 116 9.169 4.325 4.107 1.00 0.51 N ATOM 1507 CA LYS A 116 10.379 3.522 4.166 1.00 0.51 C ATOM 1508 C LYS A 116 10.399 2.631 5.410 1.00 0.44 C ATOM 1509 O LYS A 116 10.844 1.483 5.353 1.00 0.49 O ATOM 1510 CB LYS A 116 11.610 4.433 4.123 1.00 0.64 C ATOM 1511 CG LYS A 116 12.924 3.686 3.962 1.00 1.38 C ATOM 1512 CD LYS A 116 13.987 4.573 3.336 1.00 1.43 C ATOM 1513 CE LYS A 116 15.246 3.789 3.002 1.00 1.80 C ATOM 1514 NZ LYS A 116 16.142 4.547 2.089 1.00 2.33 N ATOM 0 H LYS A 116 9.328 5.331 4.171 1.00 0.51 H new ATOM 0 HA LYS A 116 10.398 2.863 3.298 1.00 0.51 H new ATOM 0 HB2 LYS A 116 11.500 5.137 3.298 1.00 0.64 H new ATOM 0 HB3 LYS A 116 11.647 5.020 5.040 1.00 0.64 H new ATOM 0 HG2 LYS A 116 13.267 3.334 4.935 1.00 1.38 H new ATOM 0 HG3 LYS A 116 12.770 2.804 3.340 1.00 1.38 H new ATOM 0 HD2 LYS A 116 13.592 5.031 2.429 1.00 1.43 H new ATOM 0 HD3 LYS A 116 14.234 5.384 4.021 1.00 1.43 H new ATOM 0 HE2 LYS A 116 15.781 3.551 3.921 1.00 1.80 H new ATOM 0 HE3 LYS A 116 14.972 2.841 2.538 1.00 1.80 H new ATOM 0 HZ1 LYS A 116 17.106 4.161 2.149 1.00 2.33 H new ATOM 0 HZ2 LYS A 116 15.795 4.462 1.112 1.00 2.33 H new ATOM 0 HZ3 LYS A 116 16.153 5.549 2.367 1.00 2.33 H new ATOM 1528 N ARG A 117 9.891 3.142 6.528 1.00 0.42 N ATOM 1529 CA ARG A 117 9.885 2.366 7.761 1.00 0.44 C ATOM 1530 C ARG A 117 8.718 1.378 7.785 1.00 0.43 C ATOM 1531 O ARG A 117 8.876 0.241 8.226 1.00 0.50 O ATOM 1532 CB ARG A 117 9.836 3.270 9.005 1.00 0.57 C ATOM 1533 CG ARG A 117 8.527 4.019 9.182 1.00 0.90 C ATOM 1534 CD ARG A 117 8.418 4.652 10.557 1.00 1.39 C ATOM 1535 NE ARG A 117 9.377 5.736 10.755 1.00 1.99 N ATOM 1536 CZ ARG A 117 9.810 6.130 11.950 1.00 2.83 C ATOM 1537 NH1 ARG A 117 9.432 5.488 13.049 1.00 3.30 N ATOM 1538 NH2 ARG A 117 10.633 7.164 12.041 1.00 3.61 N ATOM 0 H ARG A 117 9.485 4.074 6.605 1.00 0.42 H new ATOM 0 HA ARG A 117 10.820 1.806 7.787 1.00 0.44 H new ATOM 0 HB2 ARG A 117 10.015 2.660 9.890 1.00 0.57 H new ATOM 0 HB3 ARG A 117 10.650 3.993 8.947 1.00 0.57 H new ATOM 0 HG2 ARG A 117 8.446 4.793 8.419 1.00 0.90 H new ATOM 0 HG3 ARG A 117 7.693 3.333 9.031 1.00 0.90 H new ATOM 0 HD2 ARG A 117 7.408 5.036 10.697 1.00 1.39 H new ATOM 0 HD3 ARG A 117 8.577 3.888 11.318 1.00 1.39 H new ATOM 0 HE ARG A 117 9.735 6.218 9.931 1.00 1.99 H new ATOM 0 HH11 ARG A 117 8.805 4.686 12.981 1.00 3.30 H new ATOM 0 HH12 ARG A 117 9.769 5.797 13.961 1.00 3.30 H new ATOM 0 HH21 ARG A 117 10.932 7.654 11.198 1.00 3.61 H new ATOM 0 HH22 ARG A 117 10.968 7.470 12.954 1.00 3.61 H new ATOM 1552 N TRP A 118 7.554 1.801 7.289 1.00 0.43 N ATOM 1553 CA TRP A 118 6.351 0.977 7.361 1.00 0.51 C ATOM 1554 C TRP A 118 6.434 -0.219 6.423 1.00 0.51 C ATOM 1555 O TRP A 118 5.971 -1.308 6.764 1.00 0.60 O ATOM 1556 CB TRP A 118 5.095 1.798 7.056 1.00 0.59 C ATOM 1557 CG TRP A 118 4.841 2.918 8.026 1.00 0.89 C ATOM 1558 CD1 TRP A 118 4.417 4.177 7.718 1.00 0.98 C ATOM 1559 CD2 TRP A 118 4.992 2.887 9.457 1.00 1.69 C ATOM 1560 NE1 TRP A 118 4.302 4.932 8.859 1.00 1.51 N ATOM 1561 CE2 TRP A 118 4.645 4.165 9.936 1.00 2.00 C ATOM 1562 CE3 TRP A 118 5.385 1.909 10.379 1.00 2.34 C ATOM 1563 CZ2 TRP A 118 4.680 4.488 11.290 1.00 2.83 C ATOM 1564 CZ3 TRP A 118 5.417 2.233 11.721 1.00 3.18 C ATOM 1565 CH2 TRP A 118 5.068 3.512 12.165 1.00 3.39 C ATOM 0 H TRP A 118 7.421 2.705 6.836 1.00 0.43 H new ATOM 0 HA TRP A 118 6.282 0.605 8.383 1.00 0.51 H new ATOM 0 HB2 TRP A 118 5.181 2.214 6.052 1.00 0.59 H new ATOM 0 HB3 TRP A 118 4.232 1.133 7.052 1.00 0.59 H new ATOM 0 HD1 TRP A 118 4.202 4.530 6.720 1.00 0.98 H new ATOM 0 HE1 TRP A 118 4.008 5.908 8.896 1.00 1.51 H new ATOM 0 HE3 TRP A 118 5.658 0.919 10.046 1.00 2.34 H new ATOM 0 HZ2 TRP A 118 4.410 5.475 11.637 1.00 2.83 H new ATOM 0 HZ3 TRP A 118 5.717 1.485 12.440 1.00 3.18 H new ATOM 0 HH2 TRP A 118 5.106 3.734 13.221 1.00 3.39 H new ATOM 1576 N ILE A 119 7.019 -0.021 5.245 1.00 0.48 N ATOM 1577 CA ILE A 119 7.234 -1.126 4.318 1.00 0.54 C ATOM 1578 C ILE A 119 8.156 -2.159 4.952 1.00 0.53 C ATOM 1579 O ILE A 119 7.936 -3.364 4.835 1.00 0.58 O ATOM 1580 CB ILE A 119 7.833 -0.645 2.973 1.00 0.60 C ATOM 1581 CG1 ILE A 119 6.832 0.250 2.238 1.00 0.67 C ATOM 1582 CG2 ILE A 119 8.223 -1.831 2.096 1.00 0.69 C ATOM 1583 CD1 ILE A 119 7.363 0.831 0.944 1.00 0.81 C ATOM 0 H ILE A 119 7.349 0.885 4.913 1.00 0.48 H new ATOM 0 HA ILE A 119 6.263 -1.574 4.107 1.00 0.54 H new ATOM 0 HB ILE A 119 8.733 -0.068 3.187 1.00 0.60 H new ATOM 0 HG12 ILE A 119 5.933 -0.327 2.024 1.00 0.67 H new ATOM 0 HG13 ILE A 119 6.537 1.066 2.897 1.00 0.67 H new ATOM 0 HG21 ILE A 119 8.641 -1.467 1.157 1.00 0.69 H new ATOM 0 HG22 ILE A 119 8.966 -2.437 2.614 1.00 0.69 H new ATOM 0 HG23 ILE A 119 7.341 -2.437 1.890 1.00 0.69 H new ATOM 0 HD11 ILE A 119 6.596 1.453 0.483 1.00 0.81 H new ATOM 0 HD12 ILE A 119 8.245 1.437 1.152 1.00 0.81 H new ATOM 0 HD13 ILE A 119 7.631 0.022 0.265 1.00 0.81 H new ATOM 1595 N LYS A 120 9.166 -1.672 5.661 1.00 0.52 N ATOM 1596 CA LYS A 120 10.122 -2.542 6.326 1.00 0.57 C ATOM 1597 C LYS A 120 9.468 -3.273 7.499 1.00 0.56 C ATOM 1598 O LYS A 120 9.693 -4.462 7.698 1.00 0.61 O ATOM 1599 CB LYS A 120 11.328 -1.730 6.808 1.00 0.66 C ATOM 1600 CG LYS A 120 12.458 -2.585 7.366 1.00 1.08 C ATOM 1601 CD LYS A 120 13.699 -1.761 7.704 1.00 1.68 C ATOM 1602 CE LYS A 120 13.592 -1.052 9.053 1.00 2.25 C ATOM 1603 NZ LYS A 120 12.542 0.000 9.074 1.00 2.76 N ATOM 0 H LYS A 120 9.343 -0.676 5.789 1.00 0.52 H new ATOM 0 HA LYS A 120 10.464 -3.289 5.609 1.00 0.57 H new ATOM 0 HB2 LYS A 120 11.710 -1.136 5.978 1.00 0.66 H new ATOM 0 HB3 LYS A 120 11.000 -1.030 7.577 1.00 0.66 H new ATOM 0 HG2 LYS A 120 12.112 -3.100 8.262 1.00 1.08 H new ATOM 0 HG3 LYS A 120 12.722 -3.353 6.639 1.00 1.08 H new ATOM 0 HD2 LYS A 120 14.572 -2.414 7.710 1.00 1.68 H new ATOM 0 HD3 LYS A 120 13.861 -1.020 6.921 1.00 1.68 H new ATOM 0 HE2 LYS A 120 13.377 -1.788 9.828 1.00 2.25 H new ATOM 0 HE3 LYS A 120 14.554 -0.602 9.298 1.00 2.25 H new ATOM 0 HZ1 LYS A 120 12.847 0.782 9.688 1.00 2.76 H new ATOM 0 HZ2 LYS A 120 12.388 0.357 8.109 1.00 2.76 H new ATOM 0 HZ3 LYS A 120 11.655 -0.402 9.440 1.00 2.76 H new ATOM 1617 N GLU A 121 8.638 -2.561 8.257 1.00 0.56 N ATOM 1618 CA GLU A 121 7.977 -3.141 9.424 1.00 0.63 C ATOM 1619 C GLU A 121 6.958 -4.199 9.011 1.00 0.67 C ATOM 1620 O GLU A 121 6.860 -5.255 9.635 1.00 0.79 O ATOM 1621 CB GLU A 121 7.291 -2.054 10.258 1.00 0.71 C ATOM 1622 CG GLU A 121 6.646 -2.586 11.532 1.00 1.18 C ATOM 1623 CD GLU A 121 6.059 -1.496 12.403 1.00 1.87 C ATOM 1624 OE1 GLU A 121 6.803 -0.922 13.224 1.00 2.50 O ATOM 1625 OE2 GLU A 121 4.843 -1.223 12.287 1.00 2.57 O ATOM 0 H GLU A 121 8.407 -1.583 8.085 1.00 0.56 H new ATOM 0 HA GLU A 121 8.745 -3.619 10.032 1.00 0.63 H new ATOM 0 HB2 GLU A 121 8.024 -1.292 10.522 1.00 0.71 H new ATOM 0 HB3 GLU A 121 6.529 -1.566 9.650 1.00 0.71 H new ATOM 0 HG2 GLU A 121 5.860 -3.292 11.266 1.00 1.18 H new ATOM 0 HG3 GLU A 121 7.390 -3.139 12.105 1.00 1.18 H new ATOM 1632 N PHE A 122 6.213 -3.920 7.951 1.00 0.65 N ATOM 1633 CA PHE A 122 5.183 -4.839 7.483 1.00 0.76 C ATOM 1634 C PHE A 122 5.821 -6.049 6.802 1.00 0.78 C ATOM 1635 O PHE A 122 5.211 -7.113 6.691 1.00 0.89 O ATOM 1636 CB PHE A 122 4.231 -4.118 6.525 1.00 0.86 C ATOM 1637 CG PHE A 122 2.946 -4.853 6.270 1.00 1.36 C ATOM 1638 CD1 PHE A 122 2.060 -5.107 7.306 1.00 2.24 C ATOM 1639 CD2 PHE A 122 2.618 -5.283 4.996 1.00 1.98 C ATOM 1640 CE1 PHE A 122 0.874 -5.778 7.074 1.00 2.95 C ATOM 1641 CE2 PHE A 122 1.434 -5.953 4.758 1.00 2.74 C ATOM 1642 CZ PHE A 122 0.562 -6.201 5.798 1.00 3.02 C ATOM 0 H PHE A 122 6.301 -3.067 7.399 1.00 0.65 H new ATOM 0 HA PHE A 122 4.609 -5.193 8.340 1.00 0.76 H new ATOM 0 HB2 PHE A 122 4.000 -3.134 6.932 1.00 0.86 H new ATOM 0 HB3 PHE A 122 4.741 -3.958 5.575 1.00 0.86 H new ATOM 0 HD1 PHE A 122 2.299 -4.777 8.306 1.00 2.24 H new ATOM 0 HD2 PHE A 122 3.296 -5.092 4.178 1.00 1.98 H new ATOM 0 HE1 PHE A 122 0.193 -5.971 7.890 1.00 2.95 H new ATOM 0 HE2 PHE A 122 1.191 -6.283 3.759 1.00 2.74 H new ATOM 0 HZ PHE A 122 -0.364 -6.726 5.614 1.00 3.02 H new ATOM 1652 N SER A 123 7.057 -5.878 6.353 1.00 0.72 N ATOM 1653 CA SER A 123 7.799 -6.955 5.716 1.00 0.79 C ATOM 1654 C SER A 123 8.540 -7.796 6.751 1.00 0.81 C ATOM 1655 O SER A 123 8.459 -9.027 6.734 1.00 1.02 O ATOM 1656 CB SER A 123 8.789 -6.382 4.694 1.00 0.82 C ATOM 1657 OG SER A 123 9.659 -7.381 4.188 1.00 1.40 O ATOM 0 H SER A 123 7.568 -4.998 6.419 1.00 0.72 H new ATOM 0 HA SER A 123 7.087 -7.600 5.200 1.00 0.79 H new ATOM 0 HB2 SER A 123 8.239 -5.927 3.870 1.00 0.82 H new ATOM 0 HB3 SER A 123 9.376 -5.591 5.160 1.00 0.82 H new ATOM 0 HG SER A 123 10.455 -6.958 3.803 1.00 1.40 H new ATOM 1663 N GLU A 124 9.234 -7.106 7.660 1.00 0.80 N ATOM 1664 CA GLU A 124 10.111 -7.731 8.649 1.00 1.00 C ATOM 1665 C GLU A 124 11.324 -8.341 7.958 1.00 1.48 C ATOM 1666 O GLU A 124 12.419 -7.778 8.008 1.00 2.09 O ATOM 1667 CB GLU A 124 9.370 -8.783 9.483 1.00 1.88 C ATOM 1668 CG GLU A 124 8.174 -8.227 10.237 1.00 2.61 C ATOM 1669 CD GLU A 124 7.473 -9.274 11.073 1.00 3.54 C ATOM 1670 OE1 GLU A 124 6.869 -10.198 10.492 1.00 4.12 O ATOM 1671 OE2 GLU A 124 7.518 -9.172 12.317 1.00 4.14 O ATOM 0 H GLU A 124 9.201 -6.089 7.729 1.00 0.80 H new ATOM 0 HA GLU A 124 10.448 -6.956 9.338 1.00 1.00 H new ATOM 0 HB2 GLU A 124 9.034 -9.585 8.826 1.00 1.88 H new ATOM 0 HB3 GLU A 124 10.065 -9.225 10.196 1.00 1.88 H new ATOM 0 HG2 GLU A 124 8.503 -7.413 10.883 1.00 2.61 H new ATOM 0 HG3 GLU A 124 7.466 -7.803 9.525 1.00 2.61 H new