USER MOD reduce.3.24.130724 H: found=0, std=0, add=914, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 915 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 83 CYS SG : rot 126:sc= 0.499 USER MOD Set 1.2: A 104 GLN : amide:sc= 0.543 K(o=1,f=-0.0092) USER MOD Set 2.1: A 87 GLN : amide:sc= 0.146 K(o=0.29,f=-1) USER MOD Set 2.2: A 100 SER OG : rot -75:sc= 0.141 USER MOD Set 3.1: A 12 MET CE :methyl 155:sc= -1.03 (180deg=-0.987) USER MOD Set 3.2: A 67 HIS :FLIP no HE2:sc= -1.88! C(o=-9.1!,f=-2.9!) USER MOD Set 4.1: A 37 GLN : amide:sc= -0.776 K(o=-1.2,f=-2.9!) USER MOD Set 4.2: A 58 LYS NZ :NH3+ 175:sc= -0.455 (180deg=0) USER MOD Set 5.1: A 30 GLN : amide:sc= -3.17! C(o=-4.7!,f=-8.4!) USER MOD Set 5.2: A 32 SER OG : rot -166:sc= -1.55! USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot -1:sc= -10.7! USER MOD Single : A 23 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.349) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0.00498 USER MOD Single : A 27 SER OG : rot 180:sc= 0.0457 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0116) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN : amide:sc= -0.553 K(o=-0.55,f=-4.4!) USER MOD Single : A 68 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00262) USER MOD Single : A 69 TYR OH : rot -94:sc= 0.853 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= -0.0762 K(o=-0.076,f=-1.8!) USER MOD Single : A 77 LYS NZ :NH3+ 139:sc= -0.0485 (180deg=-1.22) USER MOD Single : A 80 MET CE :methyl 169:sc= -0.1 (180deg=-0.38) USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 ASN : amide:sc= -0.171 K(o=-0.17,f=-1.6!) USER MOD Single : A 88 THR OG1 : rot -56:sc= -1.36 USER MOD Single : A 90 ASN : amide:sc= -4.39! C(o=-4.4!,f=-5.9!) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 108 THR OG1 : rot -51:sc= -0.782! USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 112 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 11 1.699 -19.598 -1.561 1.00 2.26 N ATOM 2 CA LYS A 11 1.730 -18.469 -2.191 1.00 2.18 C ATOM 3 C LYS A 11 1.643 -17.527 -1.091 1.00 2.09 C ATOM 4 O LYS A 11 2.299 -16.512 -1.086 1.00 2.01 O ATOM 5 CB LYS A 11 0.646 -18.312 -3.053 1.00 2.27 C ATOM 6 CG LYS A 11 1.088 -18.723 -4.334 1.00 2.74 C ATOM 7 CD LYS A 11 0.011 -19.493 -4.823 1.00 3.08 C ATOM 8 CE LYS A 11 0.107 -19.535 -6.257 1.00 3.72 C ATOM 9 NZ LYS A 11 -1.187 -19.071 -6.743 1.00 4.42 N ATOM 0 HA LYS A 11 2.607 -18.356 -2.829 1.00 2.18 H new ATOM 0 HB2 LYS A 11 -0.202 -18.913 -2.724 1.00 2.27 H new ATOM 0 HB3 LYS A 11 0.313 -17.274 -3.072 1.00 2.27 H new ATOM 0 HG2 LYS A 11 1.297 -17.870 -4.979 1.00 2.74 H new ATOM 0 HG3 LYS A 11 2.005 -19.309 -4.273 1.00 2.74 H new ATOM 0 HD2 LYS A 11 0.045 -20.501 -4.410 1.00 3.08 H new ATOM 0 HD3 LYS A 11 -0.939 -19.055 -4.518 1.00 3.08 H new ATOM 0 HE2 LYS A 11 0.914 -18.896 -6.616 1.00 3.72 H new ATOM 0 HE3 LYS A 11 0.320 -20.545 -6.608 1.00 3.72 H new ATOM 0 HZ1 LYS A 11 -1.189 -19.076 -7.783 1.00 4.42 H new ATOM 0 HZ2 LYS A 11 -1.936 -19.702 -6.392 1.00 4.42 H new ATOM 0 HZ3 LYS A 11 -1.360 -18.104 -6.401 1.00 4.42 H new ATOM 23 N MET A 12 0.867 -17.953 -0.090 1.00 2.15 N ATOM 24 CA MET A 12 0.690 -17.223 1.107 1.00 2.14 C ATOM 25 C MET A 12 1.997 -16.911 1.755 1.00 1.99 C ATOM 26 O MET A 12 2.267 -15.779 2.109 1.00 1.92 O ATOM 27 CB MET A 12 -0.142 -18.094 2.019 1.00 2.30 C ATOM 28 CG MET A 12 -1.543 -17.615 2.076 1.00 2.32 C ATOM 29 SD MET A 12 -1.798 -16.539 3.464 1.00 2.72 S ATOM 30 CE MET A 12 -2.431 -15.204 2.492 1.00 2.32 C ATOM 0 H MET A 12 0.349 -18.831 -0.117 1.00 2.15 H new ATOM 0 HA MET A 12 0.204 -16.269 0.901 1.00 2.14 H new ATOM 0 HB2 MET A 12 -0.120 -19.124 1.664 1.00 2.30 H new ATOM 0 HB3 MET A 12 0.288 -18.093 3.021 1.00 2.30 H new ATOM 0 HG2 MET A 12 -1.787 -17.087 1.154 1.00 2.32 H new ATOM 0 HG3 MET A 12 -2.219 -18.467 2.144 1.00 2.32 H new ATOM 0 HE1 MET A 12 -3.071 -14.575 3.111 1.00 2.32 H new ATOM 0 HE2 MET A 12 -1.602 -14.610 2.106 1.00 2.32 H new ATOM 0 HE3 MET A 12 -3.010 -15.603 1.659 1.00 2.32 H new ATOM 40 N LYS A 13 2.799 -17.916 1.901 1.00 1.98 N ATOM 41 CA LYS A 13 4.071 -17.762 2.522 1.00 1.89 C ATOM 42 C LYS A 13 4.921 -16.758 1.892 1.00 1.75 C ATOM 43 O LYS A 13 5.624 -15.993 2.536 1.00 1.66 O ATOM 44 CB LYS A 13 4.740 -19.030 2.428 1.00 1.95 C ATOM 45 CG LYS A 13 4.573 -19.691 3.665 1.00 2.04 C ATOM 46 CD LYS A 13 5.460 -20.799 3.640 1.00 2.33 C ATOM 47 CE LYS A 13 6.285 -20.589 4.822 1.00 2.99 C ATOM 48 NZ LYS A 13 6.484 -21.851 5.479 1.00 3.48 N ATOM 0 H LYS A 13 2.589 -18.865 1.593 1.00 1.98 H new ATOM 0 HA LYS A 13 3.901 -17.430 3.546 1.00 1.89 H new ATOM 0 HB2 LYS A 13 4.322 -19.625 1.616 1.00 1.95 H new ATOM 0 HB3 LYS A 13 5.798 -18.890 2.208 1.00 1.95 H new ATOM 0 HG2 LYS A 13 4.803 -19.026 4.497 1.00 2.04 H new ATOM 0 HG3 LYS A 13 3.542 -20.020 3.796 1.00 2.04 H new ATOM 0 HD2 LYS A 13 4.923 -21.746 3.687 1.00 2.33 H new ATOM 0 HD3 LYS A 13 6.058 -20.816 2.729 1.00 2.33 H new ATOM 0 HE2 LYS A 13 7.244 -20.155 4.540 1.00 2.99 H new ATOM 0 HE3 LYS A 13 5.802 -19.884 5.498 1.00 2.99 H new ATOM 0 HZ1 LYS A 13 7.072 -21.713 6.325 1.00 3.48 H new ATOM 0 HZ2 LYS A 13 5.563 -22.246 5.758 1.00 3.48 H new ATOM 0 HZ3 LYS A 13 6.961 -22.509 4.830 1.00 3.48 H new ATOM 62 N LYS A 14 4.871 -16.803 0.636 1.00 1.78 N ATOM 63 CA LYS A 14 5.621 -15.948 -0.151 1.00 1.71 C ATOM 64 C LYS A 14 5.231 -14.515 0.005 1.00 1.62 C ATOM 65 O LYS A 14 6.076 -13.621 0.018 1.00 1.54 O ATOM 66 CB LYS A 14 5.347 -16.378 -1.506 1.00 1.82 C ATOM 67 CG LYS A 14 6.479 -17.008 -2.044 1.00 1.81 C ATOM 68 CD LYS A 14 6.517 -16.696 -3.475 1.00 2.56 C ATOM 69 CE LYS A 14 7.867 -16.360 -3.484 1.00 3.04 C ATOM 70 NZ LYS A 14 8.376 -15.903 -4.773 1.00 3.77 N ATOM 0 H LYS A 14 4.289 -17.456 0.112 1.00 1.78 H new ATOM 0 HA LYS A 14 6.674 -15.995 0.127 1.00 1.71 H new ATOM 0 HB2 LYS A 14 4.500 -17.063 -1.515 1.00 1.82 H new ATOM 0 HB3 LYS A 14 5.070 -15.521 -2.120 1.00 1.82 H new ATOM 0 HG2 LYS A 14 7.385 -16.656 -1.550 1.00 1.81 H new ATOM 0 HG3 LYS A 14 6.429 -18.086 -1.888 1.00 1.81 H new ATOM 0 HD2 LYS A 14 6.271 -17.543 -4.116 1.00 2.56 H new ATOM 0 HD3 LYS A 14 5.859 -15.876 -3.763 1.00 2.56 H new ATOM 0 HE2 LYS A 14 8.037 -15.578 -2.744 1.00 3.04 H new ATOM 0 HE3 LYS A 14 8.445 -17.228 -3.168 1.00 3.04 H new ATOM 0 HZ1 LYS A 14 9.387 -15.675 -4.686 1.00 3.77 H new ATOM 0 HZ2 LYS A 14 8.250 -16.653 -5.482 1.00 3.77 H new ATOM 0 HZ3 LYS A 14 7.854 -15.054 -5.071 1.00 3.77 H new ATOM 84 N ILE A 15 3.947 -14.305 0.104 1.00 1.67 N ATOM 85 CA ILE A 15 3.419 -12.977 0.249 1.00 1.63 C ATOM 86 C ILE A 15 3.810 -12.399 1.582 1.00 1.54 C ATOM 87 O ILE A 15 4.298 -11.279 1.659 1.00 1.47 O ATOM 88 CB ILE A 15 1.911 -13.005 0.096 1.00 1.73 C ATOM 89 CG1 ILE A 15 1.626 -13.630 -1.250 1.00 1.84 C ATOM 90 CG2 ILE A 15 1.330 -11.605 0.194 1.00 1.73 C ATOM 91 CD1 ILE A 15 0.258 -14.251 -1.356 1.00 2.43 C ATOM 0 H ILE A 15 3.243 -15.043 0.087 1.00 1.67 H new ATOM 0 HA ILE A 15 3.837 -12.340 -0.530 1.00 1.63 H new ATOM 0 HB ILE A 15 1.445 -13.584 0.893 1.00 1.73 H new ATOM 0 HG12 ILE A 15 1.730 -12.868 -2.023 1.00 1.84 H new ATOM 0 HG13 ILE A 15 2.378 -14.393 -1.452 1.00 1.84 H new ATOM 0 HG21 ILE A 15 0.247 -11.652 0.081 1.00 1.73 H new ATOM 0 HG22 ILE A 15 1.575 -11.176 1.166 1.00 1.73 H new ATOM 0 HG23 ILE A 15 1.750 -10.981 -0.594 1.00 1.73 H new ATOM 0 HD11 ILE A 15 0.128 -14.678 -2.350 1.00 2.43 H new ATOM 0 HD12 ILE A 15 0.156 -15.037 -0.607 1.00 2.43 H new ATOM 0 HD13 ILE A 15 -0.502 -13.488 -1.187 1.00 2.43 H new ATOM 103 N VAL A 16 3.620 -13.193 2.616 1.00 1.58 N ATOM 104 CA VAL A 16 3.973 -12.795 3.977 1.00 1.55 C ATOM 105 C VAL A 16 5.454 -12.541 4.090 1.00 1.44 C ATOM 106 O VAL A 16 5.889 -11.532 4.644 1.00 1.38 O ATOM 107 CB VAL A 16 3.649 -13.892 5.010 1.00 1.68 C ATOM 108 CG1 VAL A 16 2.891 -13.359 6.187 1.00 1.90 C ATOM 109 CG2 VAL A 16 2.799 -14.964 4.439 1.00 2.22 C ATOM 0 H VAL A 16 3.219 -14.128 2.545 1.00 1.58 H new ATOM 0 HA VAL A 16 3.389 -11.898 4.182 1.00 1.55 H new ATOM 0 HB VAL A 16 4.623 -14.278 5.312 1.00 1.68 H new ATOM 0 HG11 VAL A 16 2.687 -14.170 6.886 1.00 1.90 H new ATOM 0 HG12 VAL A 16 3.484 -12.592 6.685 1.00 1.90 H new ATOM 0 HG13 VAL A 16 1.950 -12.927 5.848 1.00 1.90 H new ATOM 0 HG21 VAL A 16 2.597 -15.714 5.204 1.00 2.22 H new ATOM 0 HG22 VAL A 16 1.858 -14.537 4.093 1.00 2.22 H new ATOM 0 HG23 VAL A 16 3.316 -15.431 3.601 1.00 2.22 H new ATOM 119 N ASP A 17 6.221 -13.495 3.583 1.00 1.45 N ATOM 120 CA ASP A 17 7.658 -13.420 3.641 1.00 1.39 C ATOM 121 C ASP A 17 8.148 -12.188 2.934 1.00 1.32 C ATOM 122 O ASP A 17 9.053 -11.528 3.407 1.00 1.29 O ATOM 123 CB ASP A 17 8.287 -14.655 3.014 1.00 1.47 C ATOM 124 CG ASP A 17 9.075 -15.462 4.025 1.00 1.75 C ATOM 125 OD1 ASP A 17 8.451 -16.081 4.913 1.00 2.26 O ATOM 126 OD2 ASP A 17 10.319 -15.465 3.936 1.00 2.13 O ATOM 0 H ASP A 17 5.861 -14.332 3.125 1.00 1.45 H new ATOM 0 HA ASP A 17 7.951 -13.370 4.690 1.00 1.39 H new ATOM 0 HB2 ASP A 17 7.506 -15.280 2.580 1.00 1.47 H new ATOM 0 HB3 ASP A 17 8.944 -14.353 2.198 1.00 1.47 H new ATOM 131 N ALA A 18 7.534 -11.893 1.800 1.00 1.34 N ATOM 132 CA ALA A 18 7.903 -10.738 1.007 1.00 1.33 C ATOM 133 C ALA A 18 7.588 -9.434 1.729 1.00 1.31 C ATOM 134 O ALA A 18 8.375 -8.489 1.692 1.00 1.30 O ATOM 135 CB ALA A 18 7.186 -10.791 -0.331 1.00 1.39 C ATOM 0 H ALA A 18 6.771 -12.445 1.408 1.00 1.34 H new ATOM 0 HA ALA A 18 8.981 -10.766 0.845 1.00 1.33 H new ATOM 0 HB1 ALA A 18 7.464 -9.922 -0.927 1.00 1.39 H new ATOM 0 HB2 ALA A 18 7.470 -11.700 -0.860 1.00 1.39 H new ATOM 0 HB3 ALA A 18 6.108 -10.789 -0.167 1.00 1.39 H new ATOM 141 N VAL A 19 6.427 -9.387 2.376 1.00 1.34 N ATOM 142 CA VAL A 19 5.998 -8.189 3.093 1.00 1.36 C ATOM 143 C VAL A 19 6.817 -7.958 4.353 1.00 1.32 C ATOM 144 O VAL A 19 7.320 -6.861 4.593 1.00 1.33 O ATOM 145 CB VAL A 19 4.519 -8.280 3.484 1.00 1.45 C ATOM 146 CG1 VAL A 19 4.069 -6.970 4.100 1.00 1.51 C ATOM 147 CG2 VAL A 19 3.670 -8.639 2.276 1.00 1.52 C ATOM 0 H VAL A 19 5.767 -10.163 2.419 1.00 1.34 H new ATOM 0 HA VAL A 19 6.151 -7.352 2.411 1.00 1.36 H new ATOM 0 HB VAL A 19 4.393 -9.070 4.224 1.00 1.45 H new ATOM 0 HG11 VAL A 19 3.017 -7.040 4.376 1.00 1.51 H new ATOM 0 HG12 VAL A 19 4.664 -6.763 4.989 1.00 1.51 H new ATOM 0 HG13 VAL A 19 4.202 -6.164 3.378 1.00 1.51 H new ATOM 0 HG21 VAL A 19 2.623 -8.699 2.572 1.00 1.52 H new ATOM 0 HG22 VAL A 19 3.787 -7.873 1.509 1.00 1.52 H new ATOM 0 HG23 VAL A 19 3.991 -9.602 1.879 1.00 1.52 H new ATOM 157 N ILE A 20 6.950 -9.012 5.132 1.00 1.30 N ATOM 158 CA ILE A 20 7.717 -8.999 6.366 1.00 1.29 C ATOM 159 C ILE A 20 9.160 -8.681 6.067 1.00 1.27 C ATOM 160 O ILE A 20 9.865 -8.018 6.814 1.00 1.29 O ATOM 161 CB ILE A 20 7.695 -10.414 6.963 1.00 1.33 C ATOM 162 CG1 ILE A 20 6.399 -10.795 7.660 1.00 1.59 C ATOM 163 CG2 ILE A 20 8.814 -10.639 7.943 1.00 1.75 C ATOM 164 CD1 ILE A 20 6.057 -9.927 8.865 1.00 1.75 C ATOM 0 H ILE A 20 6.524 -9.915 4.925 1.00 1.30 H new ATOM 0 HA ILE A 20 7.290 -8.259 7.044 1.00 1.29 H new ATOM 0 HB ILE A 20 7.810 -11.049 6.084 1.00 1.33 H new ATOM 0 HG12 ILE A 20 5.582 -10.736 6.941 1.00 1.59 H new ATOM 0 HG13 ILE A 20 6.465 -11.834 7.982 1.00 1.59 H new ATOM 0 HG21 ILE A 20 8.754 -11.654 8.337 1.00 1.75 H new ATOM 0 HG22 ILE A 20 9.771 -10.500 7.440 1.00 1.75 H new ATOM 0 HG23 ILE A 20 8.728 -9.926 8.763 1.00 1.75 H new ATOM 0 HD11 ILE A 20 5.118 -10.266 9.303 1.00 1.75 H new ATOM 0 HD12 ILE A 20 6.852 -10.004 9.606 1.00 1.75 H new ATOM 0 HD13 ILE A 20 5.955 -8.889 8.549 1.00 1.75 H new ATOM 176 N LYS A 21 9.623 -9.211 4.993 1.00 1.27 N ATOM 177 CA LYS A 21 10.971 -9.006 4.646 1.00 1.31 C ATOM 178 C LYS A 21 11.319 -7.582 4.430 1.00 1.38 C ATOM 179 O LYS A 21 12.469 -7.161 4.598 1.00 1.47 O ATOM 180 CB LYS A 21 11.277 -9.723 3.418 1.00 1.31 C ATOM 181 CG LYS A 21 12.560 -10.280 3.648 1.00 1.74 C ATOM 182 CD LYS A 21 13.288 -10.511 2.429 1.00 1.67 C ATOM 183 CE LYS A 21 13.782 -11.874 2.653 1.00 2.29 C ATOM 184 NZ LYS A 21 15.187 -11.951 2.337 1.00 2.90 N ATOM 0 H LYS A 21 9.086 -9.787 4.345 1.00 1.27 H new ATOM 0 HA LYS A 21 11.554 -9.372 5.491 1.00 1.31 H new ATOM 0 HB2 LYS A 21 10.538 -10.498 3.215 1.00 1.31 H new ATOM 0 HB3 LYS A 21 11.282 -9.054 2.557 1.00 1.31 H new ATOM 0 HG2 LYS A 21 13.134 -9.610 4.288 1.00 1.74 H new ATOM 0 HG3 LYS A 21 12.452 -11.221 4.187 1.00 1.74 H new ATOM 0 HD2 LYS A 21 12.650 -10.443 1.548 1.00 1.67 H new ATOM 0 HD3 LYS A 21 14.099 -9.796 2.291 1.00 1.67 H new ATOM 0 HE2 LYS A 21 13.619 -12.162 3.691 1.00 2.29 H new ATOM 0 HE3 LYS A 21 13.223 -12.577 2.036 1.00 2.29 H new ATOM 0 HZ1 LYS A 21 15.527 -12.921 2.499 1.00 2.90 H new ATOM 0 HZ2 LYS A 21 15.333 -11.695 1.340 1.00 2.90 H new ATOM 0 HZ3 LYS A 21 15.716 -11.293 2.944 1.00 2.90 H new ATOM 198 N TYR A 22 10.334 -6.863 3.999 1.00 1.41 N ATOM 199 CA TYR A 22 10.521 -5.503 3.687 1.00 1.53 C ATOM 200 C TYR A 22 9.960 -4.600 4.662 1.00 1.37 C ATOM 201 O TYR A 22 9.169 -3.699 4.339 1.00 1.36 O ATOM 202 CB TYR A 22 9.895 -5.191 2.413 1.00 1.72 C ATOM 203 CG TYR A 22 10.538 -4.044 1.786 1.00 1.98 C ATOM 204 CD1 TYR A 22 11.620 -3.358 2.394 1.00 2.19 C ATOM 205 CD2 TYR A 22 10.061 -3.632 0.565 1.00 2.62 C ATOM 206 CE1 TYR A 22 12.177 -2.317 1.785 1.00 2.43 C ATOM 207 CE2 TYR A 22 10.612 -2.589 -0.059 1.00 2.90 C ATOM 208 CZ TYR A 22 11.677 -1.921 0.554 1.00 2.55 C ATOM 209 OH TYR A 22 12.259 -0.885 -0.031 1.00 2.86 O ATOM 0 H TYR A 22 9.385 -7.209 3.857 1.00 1.41 H new ATOM 0 HA TYR A 22 11.601 -5.361 3.663 1.00 1.53 H new ATOM 0 HB2 TYR A 22 9.957 -6.055 1.751 1.00 1.72 H new ATOM 0 HB3 TYR A 22 8.836 -4.982 2.565 1.00 1.72 H new ATOM 0 HD1 TYR A 22 11.992 -3.683 3.354 1.00 2.19 H new ATOM 0 HD2 TYR A 22 9.235 -4.156 0.107 1.00 2.62 H new ATOM 0 HE1 TYR A 22 13.003 -1.790 2.240 1.00 2.43 H new ATOM 0 HE2 TYR A 22 10.242 -2.266 -1.021 1.00 2.90 H new ATOM 0 HH TYR A 22 12.979 -0.547 0.542 1.00 2.86 H new ATOM 219 N LYS A 23 10.336 -4.769 5.845 1.00 1.31 N ATOM 220 CA LYS A 23 9.827 -3.882 6.758 1.00 1.22 C ATOM 221 C LYS A 23 10.843 -3.037 7.410 1.00 1.28 C ATOM 222 O LYS A 23 11.893 -3.489 7.877 1.00 1.40 O ATOM 223 CB LYS A 23 9.127 -4.515 7.769 1.00 1.20 C ATOM 224 CG LYS A 23 9.583 -5.867 8.128 1.00 1.86 C ATOM 225 CD LYS A 23 9.315 -5.776 9.495 1.00 2.43 C ATOM 226 CE LYS A 23 7.955 -6.014 9.917 1.00 3.36 C ATOM 227 NZ LYS A 23 8.101 -5.218 11.140 1.00 3.83 N ATOM 0 H LYS A 23 10.972 -5.487 6.193 1.00 1.31 H new ATOM 0 HA LYS A 23 9.170 -3.253 6.157 1.00 1.22 H new ATOM 0 HB2 LYS A 23 9.173 -3.890 8.661 1.00 1.20 H new ATOM 0 HB3 LYS A 23 8.079 -4.574 7.475 1.00 1.20 H new ATOM 0 HG2 LYS A 23 9.020 -6.657 7.631 1.00 1.86 H new ATOM 0 HG3 LYS A 23 10.636 -6.039 7.907 1.00 1.86 H new ATOM 0 HD2 LYS A 23 9.959 -6.486 10.014 1.00 2.43 H new ATOM 0 HD3 LYS A 23 9.604 -4.780 9.830 1.00 2.43 H new ATOM 0 HE2 LYS A 23 7.202 -5.633 9.226 1.00 3.36 H new ATOM 0 HE3 LYS A 23 7.722 -7.064 10.095 1.00 3.36 H new ATOM 0 HZ1 LYS A 23 7.340 -5.462 11.806 1.00 3.83 H new ATOM 0 HZ2 LYS A 23 9.022 -5.421 11.578 1.00 3.83 H new ATOM 0 HZ3 LYS A 23 8.045 -4.207 10.905 1.00 3.83 H new ATOM 241 N ASP A 24 10.473 -1.800 7.464 1.00 1.24 N ATOM 242 CA ASP A 24 11.283 -0.794 8.056 1.00 1.33 C ATOM 243 C ASP A 24 11.264 -0.807 9.560 1.00 1.41 C ATOM 244 O ASP A 24 10.222 -0.622 10.195 1.00 1.34 O ATOM 245 CB ASP A 24 10.830 0.549 7.571 1.00 1.23 C ATOM 246 CG ASP A 24 11.848 1.174 6.650 1.00 1.52 C ATOM 247 OD1 ASP A 24 11.841 0.841 5.446 1.00 2.02 O ATOM 248 OD2 ASP A 24 12.665 1.981 7.133 1.00 2.00 O ATOM 0 H ASP A 24 9.587 -1.458 7.092 1.00 1.24 H new ATOM 0 HA ASP A 24 12.310 -1.003 7.755 1.00 1.33 H new ATOM 0 HB2 ASP A 24 9.879 0.447 7.049 1.00 1.23 H new ATOM 0 HB3 ASP A 24 10.657 1.206 8.423 1.00 1.23 H new ATOM 253 N SER A 25 12.451 -0.976 10.116 1.00 1.63 N ATOM 254 CA SER A 25 12.628 -0.964 11.548 1.00 1.80 C ATOM 255 C SER A 25 11.764 -2.011 12.201 1.00 1.79 C ATOM 256 O SER A 25 11.037 -2.740 11.524 1.00 1.65 O ATOM 257 CB SER A 25 12.271 0.412 12.099 1.00 1.78 C ATOM 258 OG SER A 25 13.413 1.020 12.676 1.00 2.36 O ATOM 0 H SER A 25 13.311 -1.124 9.587 1.00 1.63 H new ATOM 0 HA SER A 25 13.672 -1.187 11.770 1.00 1.80 H new ATOM 0 HB2 SER A 25 11.880 1.041 11.300 1.00 1.78 H new ATOM 0 HB3 SER A 25 11.483 0.319 12.846 1.00 1.78 H new ATOM 0 HG SER A 25 13.172 1.904 13.025 1.00 2.36 H new ATOM 264 N SER A 26 11.814 -2.084 13.518 1.00 1.98 N ATOM 265 CA SER A 26 10.981 -3.059 14.192 1.00 2.05 C ATOM 266 C SER A 26 9.594 -2.525 14.417 1.00 1.94 C ATOM 267 O SER A 26 8.671 -3.305 14.631 1.00 1.96 O ATOM 268 CB SER A 26 11.509 -3.519 15.541 1.00 2.34 C ATOM 269 OG SER A 26 12.813 -3.053 15.809 1.00 3.06 O ATOM 0 H SER A 26 12.398 -1.505 14.122 1.00 1.98 H new ATOM 0 HA SER A 26 10.981 -3.915 13.517 1.00 2.05 H new ATOM 0 HB2 SER A 26 10.837 -3.173 16.326 1.00 2.34 H new ATOM 0 HB3 SER A 26 11.504 -4.608 15.575 1.00 2.34 H new ATOM 0 HG SER A 26 13.102 -3.376 16.688 1.00 3.06 H new ATOM 275 N SER A 27 9.426 -1.207 14.388 1.00 1.88 N ATOM 276 CA SER A 27 8.104 -0.653 14.609 1.00 1.83 C ATOM 277 C SER A 27 7.345 -0.573 13.309 1.00 1.59 C ATOM 278 O SER A 27 6.123 -0.444 13.309 1.00 1.61 O ATOM 279 CB SER A 27 8.139 0.734 15.236 1.00 1.93 C ATOM 280 OG SER A 27 9.457 1.258 15.302 1.00 2.35 O ATOM 0 H SER A 27 10.165 -0.525 14.219 1.00 1.88 H new ATOM 0 HA SER A 27 7.605 -1.326 15.306 1.00 1.83 H new ATOM 0 HB2 SER A 27 7.510 1.409 14.656 1.00 1.93 H new ATOM 0 HB3 SER A 27 7.717 0.688 16.240 1.00 1.93 H new ATOM 0 HG SER A 27 9.435 2.149 15.709 1.00 2.35 H new ATOM 286 N GLY A 28 8.071 -0.637 12.202 1.00 1.44 N ATOM 287 CA GLY A 28 7.436 -0.565 10.913 1.00 1.27 C ATOM 288 C GLY A 28 7.211 0.839 10.452 1.00 1.19 C ATOM 289 O GLY A 28 6.203 1.151 9.820 1.00 1.37 O ATOM 0 H GLY A 28 9.086 -0.737 12.179 1.00 1.44 H new ATOM 0 HA2 GLY A 28 8.051 -1.088 10.181 1.00 1.27 H new ATOM 0 HA3 GLY A 28 6.479 -1.086 10.955 1.00 1.27 H new ATOM 293 N ARG A 29 8.139 1.690 10.774 1.00 1.02 N ATOM 294 CA ARG A 29 8.040 3.049 10.402 1.00 1.00 C ATOM 295 C ARG A 29 8.785 3.421 9.199 1.00 0.90 C ATOM 296 O ARG A 29 9.984 3.179 9.105 1.00 1.11 O ATOM 297 CB ARG A 29 8.626 3.798 11.445 1.00 1.14 C ATOM 298 CG ARG A 29 7.705 3.891 12.552 1.00 1.88 C ATOM 299 CD ARG A 29 7.493 5.296 12.487 1.00 2.12 C ATOM 300 NE ARG A 29 7.088 5.957 13.654 1.00 2.84 N ATOM 301 CZ ARG A 29 7.235 5.582 14.921 1.00 3.62 C ATOM 302 NH1 ARG A 29 7.711 4.392 15.373 1.00 3.95 N ATOM 303 NH2 ARG A 29 6.913 6.477 15.800 1.00 4.44 N ATOM 0 H ARG A 29 8.979 1.452 11.301 1.00 1.02 H new ATOM 0 HA ARG A 29 6.984 3.237 10.211 1.00 1.00 H new ATOM 0 HB2 ARG A 29 9.553 3.325 11.769 1.00 1.14 H new ATOM 0 HB3 ARG A 29 8.884 4.795 11.089 1.00 1.14 H new ATOM 0 HG2 ARG A 29 6.794 3.312 12.402 1.00 1.88 H new ATOM 0 HG3 ARG A 29 8.137 3.566 13.498 1.00 1.88 H new ATOM 0 HD2 ARG A 29 8.420 5.758 12.147 1.00 2.12 H new ATOM 0 HD3 ARG A 29 6.743 5.485 11.719 1.00 2.12 H new ATOM 0 HE ARG A 29 6.615 6.849 13.512 1.00 2.84 H new ATOM 0 HH11 ARG A 29 8.001 3.674 14.710 1.00 3.95 H new ATOM 0 HH12 ARG A 29 7.778 4.217 16.376 1.00 3.95 H new ATOM 0 HH21 ARG A 29 6.575 7.391 15.497 1.00 4.44 H new ATOM 0 HH22 ARG A 29 6.997 6.268 16.795 1.00 4.44 H new ATOM 317 N GLN A 30 8.103 4.074 8.307 1.00 0.74 N ATOM 318 CA GLN A 30 8.751 4.516 7.118 1.00 0.70 C ATOM 319 C GLN A 30 7.928 5.578 6.420 1.00 0.68 C ATOM 320 O GLN A 30 6.964 6.037 6.950 1.00 0.68 O ATOM 321 CB GLN A 30 8.999 3.304 6.249 1.00 0.70 C ATOM 322 CG GLN A 30 7.749 2.500 5.973 1.00 1.09 C ATOM 323 CD GLN A 30 8.065 1.269 5.159 1.00 1.17 C ATOM 324 OE1 GLN A 30 8.771 0.381 5.603 1.00 1.94 O ATOM 325 NE2 GLN A 30 7.566 1.224 3.945 1.00 1.04 N ATOM 0 H GLN A 30 7.113 4.308 8.381 1.00 0.74 H new ATOM 0 HA GLN A 30 9.707 4.986 7.348 1.00 0.70 H new ATOM 0 HB2 GLN A 30 9.431 3.627 5.302 1.00 0.70 H new ATOM 0 HB3 GLN A 30 9.735 2.663 6.733 1.00 0.70 H new ATOM 0 HG2 GLN A 30 7.285 2.208 6.915 1.00 1.09 H new ATOM 0 HG3 GLN A 30 7.026 3.117 5.440 1.00 1.09 H new ATOM 0 HE21 GLN A 30 6.979 1.986 3.607 1.00 1.04 H new ATOM 0 HE22 GLN A 30 7.766 0.427 3.341 1.00 1.04 H new ATOM 334 N LEU A 31 8.324 5.989 5.248 1.00 0.80 N ATOM 335 CA LEU A 31 7.577 7.047 4.520 1.00 0.87 C ATOM 336 C LEU A 31 6.179 6.596 4.189 1.00 0.74 C ATOM 337 O LEU A 31 5.259 7.408 4.144 1.00 0.79 O ATOM 338 CB LEU A 31 8.275 7.434 3.233 1.00 1.06 C ATOM 339 CG LEU A 31 9.727 7.031 3.251 1.00 1.41 C ATOM 340 CD1 LEU A 31 9.808 5.847 2.381 1.00 2.23 C ATOM 341 CD2 LEU A 31 10.755 7.988 2.728 1.00 2.07 C ATOM 0 H LEU A 31 9.144 5.631 4.759 1.00 0.80 H new ATOM 0 HA LEU A 31 7.537 7.911 5.183 1.00 0.87 H new ATOM 0 HB2 LEU A 31 7.775 6.959 2.389 1.00 1.06 H new ATOM 0 HB3 LEU A 31 8.197 8.511 3.085 1.00 1.06 H new ATOM 0 HG LEU A 31 9.974 6.919 4.307 1.00 1.41 H new ATOM 0 HD11 LEU A 31 10.838 5.493 2.343 1.00 2.23 H new ATOM 0 HD12 LEU A 31 9.168 5.059 2.778 1.00 2.23 H new ATOM 0 HD13 LEU A 31 9.478 6.110 1.376 1.00 2.23 H new ATOM 0 HD21 LEU A 31 11.745 7.541 2.814 1.00 2.07 H new ATOM 0 HD22 LEU A 31 10.547 8.209 1.681 1.00 2.07 H new ATOM 0 HD23 LEU A 31 10.721 8.911 3.307 1.00 2.07 H new ATOM 353 N SER A 32 6.024 5.299 3.940 1.00 0.67 N ATOM 354 CA SER A 32 4.714 4.760 3.598 1.00 0.65 C ATOM 355 C SER A 32 3.765 4.816 4.757 1.00 0.61 C ATOM 356 O SER A 32 2.588 4.498 4.624 1.00 0.67 O ATOM 357 CB SER A 32 4.782 3.307 3.210 1.00 0.75 C ATOM 358 OG SER A 32 6.027 2.967 2.641 1.00 1.30 O ATOM 0 H SER A 32 6.777 4.612 3.968 1.00 0.67 H new ATOM 0 HA SER A 32 4.370 5.377 2.768 1.00 0.65 H new ATOM 0 HB2 SER A 32 4.605 2.689 4.090 1.00 0.75 H new ATOM 0 HB3 SER A 32 3.986 3.085 2.499 1.00 0.75 H new ATOM 0 HG SER A 32 5.959 2.092 2.205 1.00 1.30 H new ATOM 364 N GLU A 33 4.288 5.166 5.890 1.00 0.61 N ATOM 365 CA GLU A 33 3.526 5.223 7.089 1.00 0.72 C ATOM 366 C GLU A 33 2.305 6.176 6.933 1.00 0.78 C ATOM 367 O GLU A 33 1.320 6.087 7.665 1.00 0.92 O ATOM 368 CB GLU A 33 4.529 5.622 8.141 1.00 0.81 C ATOM 369 CG GLU A 33 4.199 6.867 8.927 1.00 1.35 C ATOM 370 CD GLU A 33 4.144 6.773 10.453 1.00 1.87 C ATOM 371 OE1 GLU A 33 4.316 5.679 11.040 1.00 2.43 O ATOM 372 OE2 GLU A 33 3.917 7.840 11.064 1.00 2.36 O ATOM 0 H GLU A 33 5.268 5.423 6.006 1.00 0.61 H new ATOM 0 HA GLU A 33 3.056 4.279 7.366 1.00 0.72 H new ATOM 0 HB2 GLU A 33 4.642 4.794 8.840 1.00 0.81 H new ATOM 0 HB3 GLU A 33 5.495 5.766 7.658 1.00 0.81 H new ATOM 0 HG2 GLU A 33 4.935 7.628 8.668 1.00 1.35 H new ATOM 0 HG3 GLU A 33 3.231 7.230 8.582 1.00 1.35 H new ATOM 379 N VAL A 34 2.394 7.044 5.921 1.00 0.73 N ATOM 380 CA VAL A 34 1.359 8.005 5.543 1.00 0.82 C ATOM 381 C VAL A 34 0.155 7.304 4.939 1.00 0.81 C ATOM 382 O VAL A 34 -0.974 7.801 4.992 1.00 0.94 O ATOM 383 CB VAL A 34 2.019 8.957 4.515 1.00 0.82 C ATOM 384 CG1 VAL A 34 1.126 9.564 3.452 1.00 1.56 C ATOM 385 CG2 VAL A 34 2.584 10.095 5.233 1.00 1.65 C ATOM 0 H VAL A 34 3.218 7.097 5.323 1.00 0.73 H new ATOM 0 HA VAL A 34 0.990 8.550 6.412 1.00 0.82 H new ATOM 0 HB VAL A 34 2.733 8.315 3.999 1.00 0.82 H new ATOM 0 HG11 VAL A 34 1.719 10.208 2.803 1.00 1.56 H new ATOM 0 HG12 VAL A 34 0.673 8.769 2.860 1.00 1.56 H new ATOM 0 HG13 VAL A 34 0.342 10.153 3.928 1.00 1.56 H new ATOM 0 HG21 VAL A 34 3.053 10.776 4.523 1.00 1.65 H new ATOM 0 HG22 VAL A 34 1.791 10.618 5.768 1.00 1.65 H new ATOM 0 HG23 VAL A 34 3.330 9.742 5.945 1.00 1.65 H new ATOM 395 N PHE A 35 0.418 6.146 4.356 1.00 0.69 N ATOM 396 CA PHE A 35 -0.616 5.360 3.713 1.00 0.74 C ATOM 397 C PHE A 35 -1.000 4.140 4.518 1.00 0.78 C ATOM 398 O PHE A 35 -1.644 3.229 4.004 1.00 0.98 O ATOM 399 CB PHE A 35 -0.142 4.920 2.341 1.00 0.75 C ATOM 400 CG PHE A 35 0.395 6.043 1.518 1.00 0.70 C ATOM 401 CD1 PHE A 35 -0.385 7.178 1.314 1.00 1.09 C ATOM 402 CD2 PHE A 35 1.663 5.962 0.939 1.00 1.46 C ATOM 403 CE1 PHE A 35 0.082 8.221 0.546 1.00 1.17 C ATOM 404 CE2 PHE A 35 2.139 7.002 0.163 1.00 1.42 C ATOM 405 CZ PHE A 35 1.347 8.137 -0.036 1.00 0.75 C ATOM 0 H PHE A 35 1.348 5.729 4.316 1.00 0.69 H new ATOM 0 HA PHE A 35 -1.498 5.995 3.631 1.00 0.74 H new ATOM 0 HB2 PHE A 35 0.631 4.161 2.457 1.00 0.75 H new ATOM 0 HB3 PHE A 35 -0.971 4.452 1.810 1.00 0.75 H new ATOM 0 HD1 PHE A 35 -1.366 7.241 1.762 1.00 1.09 H new ATOM 0 HD2 PHE A 35 2.273 5.085 1.098 1.00 1.46 H new ATOM 0 HE1 PHE A 35 -0.528 9.099 0.395 1.00 1.17 H new ATOM 0 HE2 PHE A 35 3.118 6.938 -0.288 1.00 1.42 H new ATOM 0 HZ PHE A 35 1.716 8.951 -0.642 1.00 0.75 H new ATOM 415 N ILE A 36 -0.613 4.123 5.770 1.00 0.97 N ATOM 416 CA ILE A 36 -0.917 3.026 6.643 1.00 1.02 C ATOM 417 C ILE A 36 -2.294 3.171 7.168 1.00 1.02 C ATOM 418 O ILE A 36 -3.022 2.230 7.232 1.00 1.05 O ATOM 419 CB ILE A 36 0.052 3.052 7.807 1.00 1.15 C ATOM 420 CG1 ILE A 36 1.450 2.894 7.242 1.00 1.49 C ATOM 421 CG2 ILE A 36 -0.276 2.045 8.914 1.00 1.57 C ATOM 422 CD1 ILE A 36 2.137 1.567 7.513 1.00 1.38 C ATOM 0 H ILE A 36 -0.078 4.872 6.209 1.00 0.97 H new ATOM 0 HA ILE A 36 -0.834 2.088 6.094 1.00 1.02 H new ATOM 0 HB ILE A 36 -0.032 4.009 8.322 1.00 1.15 H new ATOM 0 HG12 ILE A 36 1.402 3.041 6.163 1.00 1.49 H new ATOM 0 HG13 ILE A 36 2.074 3.692 7.645 1.00 1.49 H new ATOM 0 HG21 ILE A 36 0.464 2.126 9.710 1.00 1.57 H new ATOM 0 HG22 ILE A 36 -1.267 2.256 9.316 1.00 1.57 H new ATOM 0 HG23 ILE A 36 -0.259 1.035 8.504 1.00 1.57 H new ATOM 0 HD11 ILE A 36 3.129 1.572 7.061 1.00 1.38 H new ATOM 0 HD12 ILE A 36 2.229 1.418 8.589 1.00 1.38 H new ATOM 0 HD13 ILE A 36 1.547 0.757 7.084 1.00 1.38 H new ATOM 434 N GLN A 37 -2.624 4.368 7.568 1.00 1.05 N ATOM 435 CA GLN A 37 -3.905 4.620 8.136 1.00 1.10 C ATOM 436 C GLN A 37 -4.670 5.662 7.402 1.00 1.07 C ATOM 437 O GLN A 37 -4.201 6.788 7.226 1.00 1.19 O ATOM 438 CB GLN A 37 -3.712 5.068 9.533 1.00 1.27 C ATOM 439 CG GLN A 37 -4.250 4.067 10.461 1.00 1.45 C ATOM 440 CD GLN A 37 -4.911 4.695 11.632 1.00 1.76 C ATOM 441 OE1 GLN A 37 -5.177 5.900 11.654 1.00 2.34 O ATOM 442 NE2 GLN A 37 -5.176 3.867 12.610 1.00 2.16 N ATOM 0 H GLN A 37 -2.015 5.184 7.508 1.00 1.05 H new ATOM 0 HA GLN A 37 -4.481 3.696 8.079 1.00 1.10 H new ATOM 0 HB2 GLN A 37 -2.651 5.225 9.730 1.00 1.27 H new ATOM 0 HB3 GLN A 37 -4.210 6.025 9.689 1.00 1.27 H new ATOM 0 HG2 GLN A 37 -4.966 3.434 9.937 1.00 1.45 H new ATOM 0 HG3 GLN A 37 -3.443 3.419 10.804 1.00 1.45 H new ATOM 0 HE21 GLN A 37 -4.928 2.881 12.525 1.00 2.16 H new ATOM 0 HE22 GLN A 37 -5.630 4.207 13.457 1.00 2.16 H new ATOM 451 N LEU A 38 -5.853 5.291 6.987 1.00 1.07 N ATOM 452 CA LEU A 38 -6.682 6.198 6.271 1.00 1.06 C ATOM 453 C LEU A 38 -7.631 6.952 7.154 1.00 1.10 C ATOM 454 O LEU A 38 -8.287 6.367 8.019 1.00 1.29 O ATOM 455 CB LEU A 38 -7.444 5.467 5.212 1.00 1.26 C ATOM 456 CG LEU A 38 -6.871 5.761 3.850 1.00 1.42 C ATOM 457 CD1 LEU A 38 -7.029 4.629 2.889 1.00 1.42 C ATOM 458 CD2 LEU A 38 -7.572 6.936 3.281 1.00 2.11 C ATOM 0 H LEU A 38 -6.255 4.366 7.137 1.00 1.07 H new ATOM 0 HA LEU A 38 -6.020 6.936 5.817 1.00 1.06 H new ATOM 0 HB2 LEU A 38 -7.408 4.395 5.404 1.00 1.26 H new ATOM 0 HB3 LEU A 38 -8.493 5.761 5.243 1.00 1.26 H new ATOM 0 HG LEU A 38 -5.804 5.939 3.987 1.00 1.42 H new ATOM 0 HD11 LEU A 38 -6.596 4.905 1.928 1.00 1.42 H new ATOM 0 HD12 LEU A 38 -6.518 3.748 3.278 1.00 1.42 H new ATOM 0 HD13 LEU A 38 -8.088 4.407 2.759 1.00 1.42 H new ATOM 0 HD21 LEU A 38 -7.166 7.159 2.294 1.00 2.11 H new ATOM 0 HD22 LEU A 38 -8.636 6.718 3.195 1.00 2.11 H new ATOM 0 HD23 LEU A 38 -7.430 7.796 3.935 1.00 2.11 H new ATOM 470 N PRO A 39 -7.743 8.272 6.928 1.00 1.11 N ATOM 471 CA PRO A 39 -8.646 9.075 7.689 1.00 1.32 C ATOM 472 C PRO A 39 -10.071 8.678 7.441 1.00 1.39 C ATOM 473 O PRO A 39 -10.376 7.699 6.744 1.00 1.36 O ATOM 474 CB PRO A 39 -8.444 10.512 7.209 1.00 1.42 C ATOM 475 CG PRO A 39 -7.448 10.474 6.100 1.00 1.36 C ATOM 476 CD PRO A 39 -7.023 9.052 5.904 1.00 1.12 C ATOM 0 HA PRO A 39 -8.451 8.956 8.755 1.00 1.32 H new ATOM 0 HB2 PRO A 39 -9.386 10.938 6.865 1.00 1.42 H new ATOM 0 HB3 PRO A 39 -8.088 11.143 8.024 1.00 1.42 H new ATOM 0 HG2 PRO A 39 -7.884 10.871 5.183 1.00 1.36 H new ATOM 0 HG3 PRO A 39 -6.588 11.099 6.340 1.00 1.36 H new ATOM 0 HD2 PRO A 39 -7.272 8.704 4.901 1.00 1.12 H new ATOM 0 HD3 PRO A 39 -5.944 8.947 6.019 1.00 1.12 H new ATOM 484 N SER A 40 -10.931 9.471 8.005 1.00 1.62 N ATOM 485 CA SER A 40 -12.322 9.276 7.872 1.00 1.80 C ATOM 486 C SER A 40 -12.822 10.019 6.697 1.00 1.70 C ATOM 487 O SER A 40 -12.242 10.993 6.221 1.00 1.63 O ATOM 488 CB SER A 40 -13.048 9.775 9.095 1.00 2.19 C ATOM 489 OG SER A 40 -13.770 8.728 9.713 1.00 2.88 O ATOM 0 H SER A 40 -10.672 10.277 8.574 1.00 1.62 H new ATOM 0 HA SER A 40 -12.504 8.208 7.751 1.00 1.80 H new ATOM 0 HB2 SER A 40 -12.333 10.196 9.802 1.00 2.19 H new ATOM 0 HB3 SER A 40 -13.730 10.578 8.816 1.00 2.19 H new ATOM 0 HG SER A 40 -14.232 9.073 10.505 1.00 2.88 H new ATOM 495 N ARG A 41 -13.918 9.577 6.262 1.00 1.81 N ATOM 496 CA ARG A 41 -14.559 10.185 5.175 1.00 1.80 C ATOM 497 C ARG A 41 -14.904 11.575 5.405 1.00 1.95 C ATOM 498 O ARG A 41 -14.852 12.429 4.536 1.00 1.97 O ATOM 499 CB ARG A 41 -15.756 9.498 5.023 1.00 2.01 C ATOM 500 CG ARG A 41 -15.675 8.850 3.770 1.00 2.09 C ATOM 501 CD ARG A 41 -16.996 8.785 3.382 1.00 2.56 C ATOM 502 NE ARG A 41 -17.780 8.102 4.334 1.00 2.89 N ATOM 503 CZ ARG A 41 -18.948 7.795 3.981 1.00 3.55 C ATOM 504 NH1 ARG A 41 -19.322 8.184 2.751 1.00 4.06 N ATOM 505 NH2 ARG A 41 -19.765 7.201 4.799 1.00 4.06 N ATOM 0 H ARG A 41 -14.408 8.772 6.651 1.00 1.81 H new ATOM 0 HA ARG A 41 -13.890 10.154 4.315 1.00 1.80 H new ATOM 0 HB2 ARG A 41 -15.897 8.776 5.828 1.00 2.01 H new ATOM 0 HB3 ARG A 41 -16.605 10.181 5.055 1.00 2.01 H new ATOM 0 HG2 ARG A 41 -15.071 9.414 3.060 1.00 2.09 H new ATOM 0 HG3 ARG A 41 -15.227 7.860 3.853 1.00 2.09 H new ATOM 0 HD2 ARG A 41 -17.386 9.793 3.244 1.00 2.56 H new ATOM 0 HD3 ARG A 41 -17.069 8.280 2.419 1.00 2.56 H new ATOM 0 HE ARG A 41 -17.420 7.869 5.259 1.00 2.89 H new ATOM 0 HH11 ARG A 41 -18.671 8.699 2.159 1.00 4.06 H new ATOM 0 HH12 ARG A 41 -20.257 7.964 2.409 1.00 4.06 H new ATOM 0 HH21 ARG A 41 -19.463 6.975 5.747 1.00 4.06 H new ATOM 0 HH22 ARG A 41 -20.708 6.961 4.493 1.00 4.06 H new ATOM 519 N LYS A 42 -15.289 11.778 6.572 1.00 2.17 N ATOM 520 CA LYS A 42 -15.660 13.039 6.980 1.00 2.44 C ATOM 521 C LYS A 42 -14.550 13.947 7.061 1.00 2.42 C ATOM 522 O LYS A 42 -14.669 15.152 6.858 1.00 2.64 O ATOM 523 CB LYS A 42 -16.080 12.874 8.285 1.00 2.74 C ATOM 524 CG LYS A 42 -17.409 13.074 8.274 1.00 3.04 C ATOM 525 CD LYS A 42 -17.797 12.799 9.551 1.00 3.91 C ATOM 526 CE LYS A 42 -19.047 13.429 9.543 1.00 4.75 C ATOM 527 NZ LYS A 42 -19.725 13.097 10.729 1.00 5.32 N ATOM 0 H LYS A 42 -15.358 11.057 7.290 1.00 2.17 H new ATOM 0 HA LYS A 42 -16.393 13.440 6.280 1.00 2.44 H new ATOM 0 HB2 LYS A 42 -15.839 11.875 8.649 1.00 2.74 H new ATOM 0 HB3 LYS A 42 -15.584 13.584 8.947 1.00 2.74 H new ATOM 0 HG2 LYS A 42 -17.656 14.098 7.994 1.00 3.04 H new ATOM 0 HG3 LYS A 42 -17.905 12.420 7.557 1.00 3.04 H new ATOM 0 HD2 LYS A 42 -17.866 11.729 9.748 1.00 3.91 H new ATOM 0 HD3 LYS A 42 -17.120 13.217 10.296 1.00 3.91 H new ATOM 0 HE2 LYS A 42 -18.925 14.510 9.467 1.00 4.75 H new ATOM 0 HE3 LYS A 42 -19.625 13.111 8.675 1.00 4.75 H new ATOM 0 HZ1 LYS A 42 -20.657 13.559 10.737 1.00 5.32 H new ATOM 0 HZ2 LYS A 42 -19.849 12.066 10.781 1.00 5.32 H new ATOM 0 HZ3 LYS A 42 -19.171 13.421 11.548 1.00 5.32 H new ATOM 541 N GLU A 43 -13.474 13.360 7.425 1.00 2.22 N ATOM 542 CA GLU A 43 -12.316 14.087 7.586 1.00 2.25 C ATOM 543 C GLU A 43 -11.869 14.583 6.267 1.00 2.16 C ATOM 544 O GLU A 43 -11.360 15.688 6.131 1.00 2.38 O ATOM 545 CB GLU A 43 -11.279 13.205 8.189 1.00 2.09 C ATOM 546 CG GLU A 43 -11.003 13.654 9.573 1.00 2.32 C ATOM 547 CD GLU A 43 -9.595 13.336 9.983 1.00 2.82 C ATOM 548 OE1 GLU A 43 -8.690 14.117 9.629 1.00 3.26 O ATOM 549 OE2 GLU A 43 -9.390 12.292 10.629 1.00 3.28 O ATOM 0 H GLU A 43 -13.391 12.361 7.615 1.00 2.22 H new ATOM 0 HA GLU A 43 -12.487 14.940 8.243 1.00 2.25 H new ATOM 0 HB2 GLU A 43 -11.621 12.170 8.191 1.00 2.09 H new ATOM 0 HB3 GLU A 43 -10.366 13.238 7.594 1.00 2.09 H new ATOM 0 HG2 GLU A 43 -11.171 14.728 9.649 1.00 2.32 H new ATOM 0 HG3 GLU A 43 -11.700 13.173 10.259 1.00 2.32 H new ATOM 556 N LEU A 44 -12.007 13.710 5.311 1.00 1.90 N ATOM 557 CA LEU A 44 -11.541 13.970 3.999 1.00 1.87 C ATOM 558 C LEU A 44 -12.512 13.426 2.958 1.00 1.76 C ATOM 559 O LEU A 44 -12.211 12.468 2.240 1.00 1.59 O ATOM 560 CB LEU A 44 -10.271 13.204 3.973 1.00 1.73 C ATOM 561 CG LEU A 44 -8.943 13.842 3.431 1.00 2.20 C ATOM 562 CD1 LEU A 44 -8.922 13.724 1.967 1.00 2.59 C ATOM 563 CD2 LEU A 44 -8.644 15.324 3.613 1.00 2.71 C ATOM 0 H LEU A 44 -12.448 12.798 5.430 1.00 1.90 H new ATOM 0 HA LEU A 44 -11.431 15.030 3.773 1.00 1.87 H new ATOM 0 HB2 LEU A 44 -10.074 12.881 4.995 1.00 1.73 H new ATOM 0 HB3 LEU A 44 -10.454 12.305 3.385 1.00 1.73 H new ATOM 0 HG LEU A 44 -8.222 13.290 4.034 1.00 2.20 H new ATOM 0 HD11 LEU A 44 -8.003 14.164 1.580 1.00 2.59 H new ATOM 0 HD12 LEU A 44 -8.967 12.672 1.686 1.00 2.59 H new ATOM 0 HD13 LEU A 44 -9.781 14.248 1.547 1.00 2.59 H new ATOM 0 HD21 LEU A 44 -7.678 15.558 3.166 1.00 2.71 H new ATOM 0 HD22 LEU A 44 -9.421 15.914 3.127 1.00 2.71 H new ATOM 0 HD23 LEU A 44 -8.619 15.562 4.676 1.00 2.71 H new ATOM 575 N PRO A 45 -13.691 14.024 2.876 1.00 1.91 N ATOM 576 CA PRO A 45 -14.721 13.602 1.934 1.00 1.87 C ATOM 577 C PRO A 45 -14.251 13.704 0.505 1.00 1.82 C ATOM 578 O PRO A 45 -14.712 12.976 -0.372 1.00 1.75 O ATOM 579 CB PRO A 45 -15.876 14.567 2.158 1.00 2.11 C ATOM 580 CG PRO A 45 -15.520 15.420 3.342 1.00 2.41 C ATOM 581 CD PRO A 45 -14.089 15.155 3.707 1.00 2.17 C ATOM 0 HA PRO A 45 -14.994 12.559 2.097 1.00 1.87 H new ATOM 0 HB2 PRO A 45 -16.038 15.184 1.274 1.00 2.11 H new ATOM 0 HB3 PRO A 45 -16.802 14.022 2.341 1.00 2.11 H new ATOM 0 HG2 PRO A 45 -15.661 16.475 3.105 1.00 2.41 H new ATOM 0 HG3 PRO A 45 -16.174 15.192 4.184 1.00 2.41 H new ATOM 0 HD2 PRO A 45 -13.464 16.027 3.513 1.00 2.17 H new ATOM 0 HD3 PRO A 45 -13.989 14.921 4.767 1.00 2.17 H new ATOM 589 N GLU A 46 -13.331 14.611 0.284 1.00 1.90 N ATOM 590 CA GLU A 46 -12.793 14.819 -1.026 1.00 1.92 C ATOM 591 C GLU A 46 -12.107 13.615 -1.545 1.00 1.76 C ATOM 592 O GLU A 46 -12.181 13.295 -2.732 1.00 1.78 O ATOM 593 CB GLU A 46 -11.797 15.905 -0.983 1.00 2.09 C ATOM 594 CG GLU A 46 -12.301 17.042 -1.789 1.00 2.38 C ATOM 595 CD GLU A 46 -11.732 18.359 -1.344 1.00 2.93 C ATOM 596 OE1 GLU A 46 -11.547 18.541 -0.123 1.00 3.42 O ATOM 597 OE2 GLU A 46 -11.473 19.211 -2.211 1.00 3.41 O ATOM 0 H GLU A 46 -12.941 15.218 1.005 1.00 1.90 H new ATOM 0 HA GLU A 46 -13.632 15.063 -1.678 1.00 1.92 H new ATOM 0 HB2 GLU A 46 -11.624 16.219 0.046 1.00 2.09 H new ATOM 0 HB3 GLU A 46 -10.841 15.557 -1.375 1.00 2.09 H new ATOM 0 HG2 GLU A 46 -12.053 16.878 -2.838 1.00 2.38 H new ATOM 0 HG3 GLU A 46 -13.388 17.078 -1.721 1.00 2.38 H new ATOM 604 N TYR A 47 -11.415 12.971 -0.641 1.00 1.63 N ATOM 605 CA TYR A 47 -10.677 11.805 -0.967 1.00 1.51 C ATOM 606 C TYR A 47 -11.600 10.743 -1.508 1.00 1.44 C ATOM 607 O TYR A 47 -11.293 10.072 -2.490 1.00 1.47 O ATOM 608 CB TYR A 47 -9.931 11.299 0.256 1.00 1.44 C ATOM 609 CG TYR A 47 -8.589 10.740 -0.098 1.00 1.42 C ATOM 610 CD1 TYR A 47 -8.179 10.748 -1.433 1.00 1.36 C ATOM 611 CD2 TYR A 47 -7.761 10.148 0.858 1.00 2.25 C ATOM 612 CE1 TYR A 47 -6.991 10.195 -1.812 1.00 1.59 C ATOM 613 CE2 TYR A 47 -6.564 9.571 0.481 1.00 2.24 C ATOM 614 CZ TYR A 47 -6.183 9.599 -0.861 1.00 1.63 C ATOM 615 OH TYR A 47 -5.005 9.008 -1.250 1.00 1.82 O ATOM 0 H TYR A 47 -11.355 13.250 0.338 1.00 1.63 H new ATOM 0 HA TYR A 47 -9.946 12.050 -1.737 1.00 1.51 H new ATOM 0 HB2 TYR A 47 -9.808 12.115 0.969 1.00 1.44 H new ATOM 0 HB3 TYR A 47 -10.525 10.531 0.751 1.00 1.44 H new ATOM 0 HD1 TYR A 47 -8.815 11.201 -2.180 1.00 1.36 H new ATOM 0 HD2 TYR A 47 -8.058 10.141 1.896 1.00 2.25 H new ATOM 0 HE1 TYR A 47 -6.684 10.222 -2.847 1.00 1.59 H new ATOM 0 HE2 TYR A 47 -5.929 9.102 1.218 1.00 2.24 H new ATOM 0 HH TYR A 47 -4.551 8.635 -0.465 1.00 1.82 H new ATOM 625 N TYR A 48 -12.736 10.615 -0.859 1.00 1.43 N ATOM 626 CA TYR A 48 -13.726 9.654 -1.253 1.00 1.46 C ATOM 627 C TYR A 48 -14.272 9.925 -2.625 1.00 1.58 C ATOM 628 O TYR A 48 -14.495 9.003 -3.406 1.00 1.64 O ATOM 629 CB TYR A 48 -14.860 9.669 -0.270 1.00 1.52 C ATOM 630 CG TYR A 48 -15.162 8.305 0.187 1.00 1.64 C ATOM 631 CD1 TYR A 48 -14.304 7.690 1.093 1.00 2.33 C ATOM 632 CD2 TYR A 48 -16.280 7.631 -0.295 1.00 1.86 C ATOM 633 CE1 TYR A 48 -14.551 6.425 1.523 1.00 2.61 C ATOM 634 CE2 TYR A 48 -16.540 6.365 0.122 1.00 2.08 C ATOM 635 CZ TYR A 48 -15.673 5.753 1.039 1.00 2.22 C ATOM 636 OH TYR A 48 -15.961 4.480 1.465 1.00 2.61 O ATOM 0 H TYR A 48 -12.993 11.175 -0.046 1.00 1.43 H new ATOM 0 HA TYR A 48 -13.239 8.679 -1.271 1.00 1.46 H new ATOM 0 HB2 TYR A 48 -14.601 10.296 0.583 1.00 1.52 H new ATOM 0 HB3 TYR A 48 -15.744 10.108 -0.732 1.00 1.52 H new ATOM 0 HD1 TYR A 48 -13.437 8.221 1.457 1.00 2.33 H new ATOM 0 HD2 TYR A 48 -16.940 8.114 -1.000 1.00 1.86 H new ATOM 0 HE1 TYR A 48 -13.888 5.947 2.229 1.00 2.61 H new ATOM 0 HE2 TYR A 48 -17.405 5.835 -0.249 1.00 2.08 H new ATOM 0 HH TYR A 48 -16.779 4.165 1.026 1.00 2.61 H new ATOM 646 N GLU A 49 -14.504 11.180 -2.920 1.00 1.66 N ATOM 647 CA GLU A 49 -15.042 11.519 -4.217 1.00 1.80 C ATOM 648 C GLU A 49 -14.014 11.431 -5.280 1.00 1.75 C ATOM 649 O GLU A 49 -14.307 11.063 -6.415 1.00 1.85 O ATOM 650 CB GLU A 49 -15.526 12.917 -4.311 1.00 1.93 C ATOM 651 CG GLU A 49 -15.734 13.641 -3.021 1.00 2.30 C ATOM 652 CD GLU A 49 -16.834 14.651 -3.228 1.00 2.90 C ATOM 653 OE1 GLU A 49 -17.002 15.100 -4.388 1.00 3.31 O ATOM 654 OE2 GLU A 49 -17.548 14.972 -2.266 1.00 3.42 O ATOM 0 H GLU A 49 -14.334 11.969 -2.297 1.00 1.66 H new ATOM 0 HA GLU A 49 -15.856 10.805 -4.346 1.00 1.80 H new ATOM 0 HB2 GLU A 49 -14.813 13.485 -4.909 1.00 1.93 H new ATOM 0 HB3 GLU A 49 -16.470 12.915 -4.856 1.00 1.93 H new ATOM 0 HG2 GLU A 49 -16.003 12.941 -2.230 1.00 2.30 H new ATOM 0 HG3 GLU A 49 -14.815 14.137 -2.709 1.00 2.30 H new ATOM 661 N LEU A 50 -12.819 11.839 -4.929 1.00 1.67 N ATOM 662 CA LEU A 50 -11.769 11.849 -5.883 1.00 1.70 C ATOM 663 C LEU A 50 -11.343 10.436 -6.174 1.00 1.71 C ATOM 664 O LEU A 50 -11.184 10.042 -7.329 1.00 1.88 O ATOM 665 CB LEU A 50 -10.601 12.653 -5.389 1.00 1.69 C ATOM 666 CG LEU A 50 -9.506 12.771 -6.432 1.00 1.81 C ATOM 667 CD1 LEU A 50 -9.788 13.905 -7.382 1.00 1.64 C ATOM 668 CD2 LEU A 50 -8.247 13.024 -5.754 1.00 2.07 C ATOM 0 H LEU A 50 -12.563 12.163 -3.996 1.00 1.67 H new ATOM 0 HA LEU A 50 -12.133 12.315 -6.799 1.00 1.70 H new ATOM 0 HB2 LEU A 50 -10.941 13.649 -5.107 1.00 1.69 H new ATOM 0 HB3 LEU A 50 -10.196 12.188 -4.490 1.00 1.69 H new ATOM 0 HG LEU A 50 -9.460 11.844 -7.004 1.00 1.81 H new ATOM 0 HD11 LEU A 50 -8.988 13.969 -8.120 1.00 1.64 H new ATOM 0 HD12 LEU A 50 -10.737 13.728 -7.889 1.00 1.64 H new ATOM 0 HD13 LEU A 50 -9.843 14.841 -6.826 1.00 1.64 H new ATOM 0 HD21 LEU A 50 -7.448 13.112 -6.491 1.00 2.07 H new ATOM 0 HD22 LEU A 50 -8.320 13.951 -5.186 1.00 2.07 H new ATOM 0 HD23 LEU A 50 -8.027 12.199 -5.076 1.00 2.07 H new ATOM 680 N ILE A 51 -11.169 9.681 -5.105 1.00 1.63 N ATOM 681 CA ILE A 51 -10.764 8.305 -5.204 1.00 1.67 C ATOM 682 C ILE A 51 -11.780 7.420 -4.687 1.00 1.68 C ATOM 683 O ILE A 51 -12.162 7.475 -3.516 1.00 1.99 O ATOM 684 CB ILE A 51 -9.502 8.031 -4.432 1.00 1.59 C ATOM 685 CG1 ILE A 51 -8.657 9.242 -4.748 1.00 1.69 C ATOM 686 CG2 ILE A 51 -8.914 6.653 -4.817 1.00 1.69 C ATOM 687 CD1 ILE A 51 -7.177 9.045 -4.890 1.00 1.58 C ATOM 0 H ILE A 51 -11.306 10.010 -4.149 1.00 1.63 H new ATOM 0 HA ILE A 51 -10.598 8.122 -6.266 1.00 1.67 H new ATOM 0 HB ILE A 51 -9.614 7.927 -3.353 1.00 1.59 H new ATOM 0 HG12 ILE A 51 -9.028 9.676 -5.677 1.00 1.69 H new ATOM 0 HG13 ILE A 51 -8.823 9.980 -3.963 1.00 1.69 H new ATOM 0 HG21 ILE A 51 -8.002 6.475 -4.247 1.00 1.69 H new ATOM 0 HG22 ILE A 51 -9.640 5.872 -4.593 1.00 1.69 H new ATOM 0 HG23 ILE A 51 -8.685 6.640 -5.883 1.00 1.69 H new ATOM 0 HD11 ILE A 51 -6.703 10.000 -5.116 1.00 1.58 H new ATOM 0 HD12 ILE A 51 -6.771 8.650 -3.958 1.00 1.58 H new ATOM 0 HD13 ILE A 51 -6.980 8.341 -5.699 1.00 1.58 H new ATOM 699 N ARG A 52 -12.174 6.565 -5.537 1.00 1.61 N ATOM 700 CA ARG A 52 -13.090 5.618 -5.150 1.00 1.69 C ATOM 701 C ARG A 52 -12.482 4.559 -4.489 1.00 1.53 C ATOM 702 O ARG A 52 -12.493 3.438 -5.029 1.00 1.74 O ATOM 703 CB ARG A 52 -13.616 4.959 -6.208 1.00 2.11 C ATOM 704 CG ARG A 52 -14.533 5.700 -6.727 1.00 2.49 C ATOM 705 CD ARG A 52 -15.000 4.867 -7.704 1.00 2.92 C ATOM 706 NE ARG A 52 -15.925 5.647 -8.218 1.00 3.59 N ATOM 707 CZ ARG A 52 -15.843 6.065 -9.381 1.00 4.09 C ATOM 708 NH1 ARG A 52 -14.941 5.548 -10.237 1.00 4.09 N ATOM 709 NH2 ARG A 52 -16.570 7.091 -9.637 1.00 4.95 N ATOM 0 H ARG A 52 -11.866 6.513 -6.508 1.00 1.61 H new ATOM 0 HA ARG A 52 -13.811 6.182 -4.558 1.00 1.69 H new ATOM 0 HB2 ARG A 52 -12.842 4.741 -6.943 1.00 2.11 H new ATOM 0 HB3 ARG A 52 -14.033 4.003 -5.891 1.00 2.11 H new ATOM 0 HG2 ARG A 52 -15.306 5.969 -6.007 1.00 2.49 H new ATOM 0 HG3 ARG A 52 -14.135 6.631 -7.131 1.00 2.49 H new ATOM 0 HD2 ARG A 52 -14.231 4.594 -8.427 1.00 2.92 H new ATOM 0 HD3 ARG A 52 -15.407 3.938 -7.305 1.00 2.92 H new ATOM 0 HE ARG A 52 -16.727 5.914 -7.647 1.00 3.59 H new ATOM 0 HH11 ARG A 52 -14.315 4.803 -9.930 1.00 4.09 H new ATOM 0 HH12 ARG A 52 -14.884 5.901 -11.192 1.00 4.09 H new ATOM 0 HH21 ARG A 52 -17.155 7.497 -8.906 1.00 4.95 H new ATOM 0 HH22 ARG A 52 -16.563 7.501 -10.571 1.00 4.95 H new ATOM 723 N LYS A 53 -12.054 4.834 -3.335 1.00 1.74 N ATOM 724 CA LYS A 53 -11.551 3.802 -2.525 1.00 1.88 C ATOM 725 C LYS A 53 -10.234 3.784 -2.233 1.00 1.50 C ATOM 726 O LYS A 53 -9.412 3.012 -2.736 1.00 1.63 O ATOM 727 CB LYS A 53 -11.939 2.583 -2.960 1.00 2.48 C ATOM 728 CG LYS A 53 -13.376 2.774 -2.739 1.00 3.13 C ATOM 729 CD LYS A 53 -14.034 1.821 -3.431 1.00 3.72 C ATOM 730 CE LYS A 53 -13.528 0.539 -2.982 1.00 4.61 C ATOM 731 NZ LYS A 53 -14.169 -0.308 -3.910 1.00 5.30 N ATOM 0 H LYS A 53 -12.038 5.766 -2.921 1.00 1.74 H new ATOM 0 HA LYS A 53 -12.014 4.055 -1.571 1.00 1.88 H new ATOM 0 HB2 LYS A 53 -11.684 2.396 -4.003 1.00 2.48 H new ATOM 0 HB3 LYS A 53 -11.518 1.763 -2.378 1.00 2.48 H new ATOM 0 HG2 LYS A 53 -13.611 2.704 -1.677 1.00 3.13 H new ATOM 0 HG3 LYS A 53 -13.684 3.766 -3.069 1.00 3.13 H new ATOM 0 HD2 LYS A 53 -15.108 1.893 -3.259 1.00 3.72 H new ATOM 0 HD3 LYS A 53 -13.874 1.944 -4.502 1.00 3.72 H new ATOM 0 HE2 LYS A 53 -12.441 0.475 -3.039 1.00 4.61 H new ATOM 0 HE3 LYS A 53 -13.807 0.317 -1.952 1.00 4.61 H new ATOM 0 HZ1 LYS A 53 -13.944 -1.299 -3.689 1.00 5.30 H new ATOM 0 HZ2 LYS A 53 -15.198 -0.166 -3.856 1.00 5.30 H new ATOM 0 HZ3 LYS A 53 -13.838 -0.084 -4.870 1.00 5.30 H new ATOM 745 N PRO A 54 -10.048 4.562 -1.302 1.00 1.22 N ATOM 746 CA PRO A 54 -8.834 4.630 -0.744 1.00 1.04 C ATOM 747 C PRO A 54 -8.620 3.405 0.094 1.00 0.99 C ATOM 748 O PRO A 54 -9.440 3.048 0.951 1.00 1.09 O ATOM 749 CB PRO A 54 -8.884 5.863 0.079 1.00 1.22 C ATOM 750 CG PRO A 54 -10.328 6.236 0.249 1.00 1.30 C ATOM 751 CD PRO A 54 -11.096 5.392 -0.659 1.00 1.42 C ATOM 0 HA PRO A 54 -8.013 4.667 -1.460 1.00 1.04 H new ATOM 0 HB2 PRO A 54 -8.415 5.696 1.049 1.00 1.22 H new ATOM 0 HB3 PRO A 54 -8.334 6.670 -0.406 1.00 1.22 H new ATOM 0 HG2 PRO A 54 -10.647 6.083 1.280 1.00 1.30 H new ATOM 0 HG3 PRO A 54 -10.484 7.290 0.020 1.00 1.30 H new ATOM 0 HD2 PRO A 54 -11.824 4.782 -0.125 1.00 1.42 H new ATOM 0 HD3 PRO A 54 -11.649 5.982 -1.389 1.00 1.42 H new ATOM 759 N VAL A 55 -7.492 2.806 -0.154 1.00 0.91 N ATOM 760 CA VAL A 55 -7.056 1.649 0.588 1.00 0.91 C ATOM 761 C VAL A 55 -5.793 2.062 1.319 1.00 0.81 C ATOM 762 O VAL A 55 -4.989 2.836 0.789 1.00 0.76 O ATOM 763 CB VAL A 55 -6.463 0.413 -0.219 1.00 0.98 C ATOM 764 CG1 VAL A 55 -7.234 -0.874 -0.361 1.00 1.58 C ATOM 765 CG2 VAL A 55 -6.045 0.706 -1.619 1.00 1.77 C ATOM 0 H VAL A 55 -6.841 3.105 -0.880 1.00 0.91 H new ATOM 0 HA VAL A 55 -7.956 1.352 1.126 1.00 0.91 H new ATOM 0 HB VAL A 55 -5.650 0.252 0.489 1.00 0.98 H new ATOM 0 HG11 VAL A 55 -6.651 -1.585 -0.947 1.00 1.58 H new ATOM 0 HG12 VAL A 55 -7.430 -1.292 0.627 1.00 1.58 H new ATOM 0 HG13 VAL A 55 -8.180 -0.678 -0.866 1.00 1.58 H new ATOM 0 HG21 VAL A 55 -5.656 -0.202 -2.080 1.00 1.77 H new ATOM 0 HG22 VAL A 55 -6.904 1.062 -2.188 1.00 1.77 H new ATOM 0 HG23 VAL A 55 -5.269 1.472 -1.614 1.00 1.77 H new ATOM 775 N ASP A 56 -5.571 1.470 2.466 1.00 0.82 N ATOM 776 CA ASP A 56 -4.349 1.695 3.218 1.00 0.77 C ATOM 777 C ASP A 56 -3.639 0.370 3.534 1.00 0.83 C ATOM 778 O ASP A 56 -4.146 -0.721 3.251 1.00 0.91 O ATOM 779 CB ASP A 56 -4.684 2.435 4.488 1.00 0.81 C ATOM 780 CG ASP A 56 -5.923 1.862 5.157 1.00 0.92 C ATOM 781 OD1 ASP A 56 -7.001 1.827 4.532 1.00 1.19 O ATOM 782 OD2 ASP A 56 -5.818 1.434 6.290 1.00 1.69 O ATOM 0 H ASP A 56 -6.223 0.822 2.907 1.00 0.82 H new ATOM 0 HA ASP A 56 -3.666 2.293 2.615 1.00 0.77 H new ATOM 0 HB2 ASP A 56 -3.840 2.380 5.176 1.00 0.81 H new ATOM 0 HB3 ASP A 56 -4.845 3.490 4.264 1.00 0.81 H new ATOM 787 N PHE A 57 -2.454 0.484 4.117 1.00 0.85 N ATOM 788 CA PHE A 57 -1.651 -0.674 4.474 1.00 0.94 C ATOM 789 C PHE A 57 -2.356 -1.574 5.486 1.00 1.02 C ATOM 790 O PHE A 57 -2.233 -2.793 5.435 1.00 1.10 O ATOM 791 CB PHE A 57 -0.323 -0.205 5.032 1.00 0.98 C ATOM 792 CG PHE A 57 0.780 -1.144 4.738 1.00 1.11 C ATOM 793 CD1 PHE A 57 1.342 -1.239 3.459 1.00 1.50 C ATOM 794 CD2 PHE A 57 1.258 -1.939 5.762 1.00 1.84 C ATOM 795 CE1 PHE A 57 2.373 -2.126 3.224 1.00 1.59 C ATOM 796 CE2 PHE A 57 2.278 -2.823 5.543 1.00 2.07 C ATOM 797 CZ PHE A 57 2.845 -2.925 4.273 1.00 1.55 C ATOM 0 H PHE A 57 -2.025 1.378 4.354 1.00 0.85 H new ATOM 0 HA PHE A 57 -1.493 -1.267 3.573 1.00 0.94 H new ATOM 0 HB2 PHE A 57 -0.083 0.773 4.616 1.00 0.98 H new ATOM 0 HB3 PHE A 57 -0.410 -0.079 6.111 1.00 0.98 H new ATOM 0 HD1 PHE A 57 0.969 -0.619 2.657 1.00 1.50 H new ATOM 0 HD2 PHE A 57 0.821 -1.861 6.747 1.00 1.84 H new ATOM 0 HE1 PHE A 57 2.812 -2.203 2.240 1.00 1.59 H new ATOM 0 HE2 PHE A 57 2.643 -3.440 6.351 1.00 2.07 H new ATOM 0 HZ PHE A 57 3.651 -3.622 4.098 1.00 1.55 H new ATOM 807 N LYS A 58 -3.098 -0.975 6.388 1.00 1.02 N ATOM 808 CA LYS A 58 -3.837 -1.766 7.404 1.00 1.12 C ATOM 809 C LYS A 58 -4.893 -2.569 6.772 1.00 1.18 C ATOM 810 O LYS A 58 -5.171 -3.680 7.191 1.00 1.27 O ATOM 811 CB LYS A 58 -4.580 -0.969 8.429 1.00 1.17 C ATOM 812 CG LYS A 58 -4.478 0.476 8.255 1.00 1.75 C ATOM 813 CD LYS A 58 -3.928 0.980 9.472 1.00 2.25 C ATOM 814 CE LYS A 58 -5.038 1.023 10.433 1.00 2.53 C ATOM 815 NZ LYS A 58 -4.455 0.759 11.729 1.00 3.40 N ATOM 0 H LYS A 58 -3.219 0.035 6.458 1.00 1.02 H new ATOM 0 HA LYS A 58 -3.042 -2.341 7.879 1.00 1.12 H new ATOM 0 HB2 LYS A 58 -5.632 -1.253 8.401 1.00 1.17 H new ATOM 0 HB3 LYS A 58 -4.205 -1.232 9.418 1.00 1.17 H new ATOM 0 HG2 LYS A 58 -3.840 0.723 7.407 1.00 1.75 H new ATOM 0 HG3 LYS A 58 -5.456 0.915 8.057 1.00 1.75 H new ATOM 0 HD2 LYS A 58 -3.125 0.337 9.833 1.00 2.25 H new ATOM 0 HD3 LYS A 58 -3.501 1.972 9.325 1.00 2.25 H new ATOM 0 HE2 LYS A 58 -5.530 1.996 10.417 1.00 2.53 H new ATOM 0 HE3 LYS A 58 -5.796 0.279 10.187 1.00 2.53 H new ATOM 0 HZ1 LYS A 58 -5.183 0.860 12.464 1.00 3.40 H new ATOM 0 HZ2 LYS A 58 -4.076 -0.209 11.748 1.00 3.40 H new ATOM 0 HZ3 LYS A 58 -3.686 1.436 11.908 1.00 3.40 H new ATOM 829 N LYS A 59 -5.525 -1.973 5.801 1.00 1.17 N ATOM 830 CA LYS A 59 -6.598 -2.620 5.136 1.00 1.26 C ATOM 831 C LYS A 59 -6.148 -3.897 4.487 1.00 1.30 C ATOM 832 O LYS A 59 -6.804 -4.935 4.594 1.00 1.41 O ATOM 833 CB LYS A 59 -7.130 -1.682 4.111 1.00 1.23 C ATOM 834 CG LYS A 59 -8.396 -1.156 4.573 1.00 1.23 C ATOM 835 CD LYS A 59 -9.487 -1.706 3.758 1.00 1.58 C ATOM 836 CE LYS A 59 -10.698 -1.496 4.577 1.00 2.05 C ATOM 837 NZ LYS A 59 -11.536 -0.410 4.021 1.00 2.53 N ATOM 0 H LYS A 59 -5.308 -1.037 5.458 1.00 1.17 H new ATOM 0 HA LYS A 59 -7.371 -2.881 5.858 1.00 1.26 H new ATOM 0 HB2 LYS A 59 -6.424 -0.870 3.940 1.00 1.23 H new ATOM 0 HB3 LYS A 59 -7.260 -2.197 3.159 1.00 1.23 H new ATOM 0 HG2 LYS A 59 -8.547 -1.413 5.621 1.00 1.23 H new ATOM 0 HG3 LYS A 59 -8.394 -0.068 4.509 1.00 1.23 H new ATOM 0 HD2 LYS A 59 -9.563 -1.195 2.798 1.00 1.58 H new ATOM 0 HD3 LYS A 59 -9.330 -2.763 3.545 1.00 1.58 H new ATOM 0 HE2 LYS A 59 -11.276 -2.419 4.621 1.00 2.05 H new ATOM 0 HE3 LYS A 59 -10.411 -1.251 5.600 1.00 2.05 H new ATOM 0 HZ1 LYS A 59 -12.380 -0.284 4.616 1.00 2.53 H new ATOM 0 HZ2 LYS A 59 -10.990 0.475 4.002 1.00 2.53 H new ATOM 0 HZ3 LYS A 59 -11.828 -0.657 3.054 1.00 2.53 H new ATOM 851 N ILE A 60 -5.011 -3.808 3.839 1.00 1.23 N ATOM 852 CA ILE A 60 -4.423 -4.941 3.175 1.00 1.28 C ATOM 853 C ILE A 60 -3.961 -5.927 4.189 1.00 1.33 C ATOM 854 O ILE A 60 -4.180 -7.131 4.059 1.00 1.44 O ATOM 855 CB ILE A 60 -3.224 -4.518 2.325 1.00 1.22 C ATOM 856 CG1 ILE A 60 -3.585 -3.312 1.492 1.00 1.19 C ATOM 857 CG2 ILE A 60 -2.807 -5.639 1.407 1.00 1.53 C ATOM 858 CD1 ILE A 60 -2.380 -2.532 1.051 1.00 1.15 C ATOM 0 H ILE A 60 -4.470 -2.947 3.759 1.00 1.23 H new ATOM 0 HA ILE A 60 -5.180 -5.384 2.527 1.00 1.28 H new ATOM 0 HB ILE A 60 -2.399 -4.274 2.994 1.00 1.22 H new ATOM 0 HG12 ILE A 60 -4.145 -3.636 0.614 1.00 1.19 H new ATOM 0 HG13 ILE A 60 -4.243 -2.661 2.068 1.00 1.19 H new ATOM 0 HG21 ILE A 60 -1.953 -5.321 0.809 1.00 1.53 H new ATOM 0 HG22 ILE A 60 -2.531 -6.511 2.000 1.00 1.53 H new ATOM 0 HG23 ILE A 60 -3.636 -5.896 0.747 1.00 1.53 H new ATOM 0 HD11 ILE A 60 -2.698 -1.676 0.456 1.00 1.15 H new ATOM 0 HD12 ILE A 60 -1.833 -2.182 1.926 1.00 1.15 H new ATOM 0 HD13 ILE A 60 -1.733 -3.171 0.450 1.00 1.15 H new ATOM 870 N LYS A 61 -3.305 -5.409 5.195 1.00 1.28 N ATOM 871 CA LYS A 61 -2.795 -6.245 6.204 1.00 1.34 C ATOM 872 C LYS A 61 -3.834 -7.028 6.932 1.00 1.46 C ATOM 873 O LYS A 61 -3.647 -8.201 7.271 1.00 1.57 O ATOM 874 CB LYS A 61 -1.965 -5.517 7.182 1.00 1.30 C ATOM 875 CG LYS A 61 -0.988 -6.528 7.449 1.00 1.45 C ATOM 876 CD LYS A 61 0.294 -6.072 7.863 1.00 1.81 C ATOM 877 CE LYS A 61 1.115 -7.255 7.607 1.00 1.96 C ATOM 878 NZ LYS A 61 2.393 -7.075 8.230 1.00 2.37 N ATOM 0 H LYS A 61 -3.121 -4.414 5.321 1.00 1.28 H new ATOM 0 HA LYS A 61 -2.170 -6.953 5.659 1.00 1.34 H new ATOM 0 HB2 LYS A 61 -1.527 -4.608 6.768 1.00 1.30 H new ATOM 0 HB3 LYS A 61 -2.522 -5.226 8.072 1.00 1.30 H new ATOM 0 HG2 LYS A 61 -1.382 -7.189 8.221 1.00 1.45 H new ATOM 0 HG3 LYS A 61 -0.863 -7.129 6.548 1.00 1.45 H new ATOM 0 HD2 LYS A 61 0.628 -5.208 7.289 1.00 1.81 H new ATOM 0 HD3 LYS A 61 0.308 -5.782 8.914 1.00 1.81 H new ATOM 0 HE2 LYS A 61 0.626 -8.146 8.000 1.00 1.96 H new ATOM 0 HE3 LYS A 61 1.236 -7.405 6.534 1.00 1.96 H new ATOM 0 HZ1 LYS A 61 2.986 -7.911 8.054 1.00 2.37 H new ATOM 0 HZ2 LYS A 61 2.857 -6.232 7.834 1.00 2.37 H new ATOM 0 HZ3 LYS A 61 2.265 -6.950 9.255 1.00 2.37 H new ATOM 892 N GLU A 62 -4.902 -6.368 7.179 1.00 1.45 N ATOM 893 CA GLU A 62 -5.997 -6.945 7.870 1.00 1.58 C ATOM 894 C GLU A 62 -6.691 -7.982 7.059 1.00 1.66 C ATOM 895 O GLU A 62 -7.089 -9.034 7.555 1.00 1.80 O ATOM 896 CB GLU A 62 -6.932 -5.853 8.209 1.00 1.55 C ATOM 897 CG GLU A 62 -7.033 -5.783 9.686 1.00 1.85 C ATOM 898 CD GLU A 62 -8.350 -5.231 10.141 1.00 2.41 C ATOM 899 OE1 GLU A 62 -8.599 -4.030 9.916 1.00 3.19 O ATOM 900 OE2 GLU A 62 -9.147 -6.006 10.704 1.00 2.71 O ATOM 0 H GLU A 62 -5.045 -5.396 6.904 1.00 1.45 H new ATOM 0 HA GLU A 62 -5.632 -7.447 8.766 1.00 1.58 H new ATOM 0 HB2 GLU A 62 -6.575 -4.906 7.806 1.00 1.55 H new ATOM 0 HB3 GLU A 62 -7.911 -6.038 7.768 1.00 1.55 H new ATOM 0 HG2 GLU A 62 -6.895 -6.780 10.105 1.00 1.85 H new ATOM 0 HG3 GLU A 62 -6.227 -5.160 10.074 1.00 1.85 H new ATOM 907 N ARG A 63 -6.852 -7.670 5.821 1.00 1.60 N ATOM 908 CA ARG A 63 -7.513 -8.548 4.928 1.00 1.71 C ATOM 909 C ARG A 63 -6.793 -9.804 4.688 1.00 1.78 C ATOM 910 O ARG A 63 -7.374 -10.887 4.724 1.00 1.92 O ATOM 911 CB ARG A 63 -7.656 -7.860 3.666 1.00 1.66 C ATOM 912 CG ARG A 63 -8.965 -7.315 3.650 1.00 1.84 C ATOM 913 CD ARG A 63 -9.137 -6.623 2.432 1.00 2.01 C ATOM 914 NE ARG A 63 -10.485 -6.348 2.332 1.00 2.28 N ATOM 915 CZ ARG A 63 -10.975 -5.880 1.274 1.00 2.76 C ATOM 916 NH1 ARG A 63 -10.140 -5.460 0.325 1.00 3.20 N ATOM 917 NH2 ARG A 63 -12.269 -5.781 1.180 1.00 3.34 N ATOM 0 H ARG A 63 -6.528 -6.799 5.401 1.00 1.60 H new ATOM 0 HA ARG A 63 -8.468 -8.815 5.380 1.00 1.71 H new ATOM 0 HB2 ARG A 63 -6.907 -7.074 3.566 1.00 1.66 H new ATOM 0 HB3 ARG A 63 -7.511 -8.546 2.832 1.00 1.66 H new ATOM 0 HG2 ARG A 63 -9.708 -8.107 3.746 1.00 1.84 H new ATOM 0 HG3 ARG A 63 -9.107 -6.640 4.494 1.00 1.84 H new ATOM 0 HD2 ARG A 63 -8.551 -5.704 2.420 1.00 2.01 H new ATOM 0 HD3 ARG A 63 -8.800 -7.227 1.590 1.00 2.01 H new ATOM 0 HE ARG A 63 -11.094 -6.528 3.130 1.00 2.28 H new ATOM 0 HH11 ARG A 63 -9.132 -5.523 0.468 1.00 3.20 H new ATOM 0 HH12 ARG A 63 -10.509 -5.075 -0.545 1.00 3.20 H new ATOM 0 HH21 ARG A 63 -12.861 -6.080 1.955 1.00 3.34 H new ATOM 0 HH22 ARG A 63 -12.691 -5.404 0.331 1.00 3.34 H new ATOM 931 N ILE A 64 -5.533 -9.656 4.419 1.00 1.70 N ATOM 932 CA ILE A 64 -4.719 -10.785 4.146 1.00 1.77 C ATOM 933 C ILE A 64 -4.680 -11.707 5.329 1.00 1.88 C ATOM 934 O ILE A 64 -4.469 -12.911 5.202 1.00 2.00 O ATOM 935 CB ILE A 64 -3.317 -10.374 3.766 1.00 1.65 C ATOM 936 CG1 ILE A 64 -2.429 -11.558 3.839 1.00 2.03 C ATOM 937 CG2 ILE A 64 -2.737 -9.310 4.697 1.00 1.91 C ATOM 938 CD1 ILE A 64 -1.094 -11.228 3.270 1.00 2.31 C ATOM 0 H ILE A 64 -5.050 -8.758 4.384 1.00 1.70 H new ATOM 0 HA ILE A 64 -5.161 -11.311 3.300 1.00 1.77 H new ATOM 0 HB ILE A 64 -3.372 -9.959 2.759 1.00 1.65 H new ATOM 0 HG12 ILE A 64 -2.323 -11.880 4.875 1.00 2.03 H new ATOM 0 HG13 ILE A 64 -2.872 -12.390 3.291 1.00 2.03 H new ATOM 0 HG21 ILE A 64 -1.728 -9.055 4.374 1.00 1.91 H new ATOM 0 HG22 ILE A 64 -3.364 -8.419 4.666 1.00 1.91 H new ATOM 0 HG23 ILE A 64 -2.705 -9.696 5.716 1.00 1.91 H new ATOM 0 HD11 ILE A 64 -0.447 -12.104 3.328 1.00 2.31 H new ATOM 0 HD12 ILE A 64 -1.207 -10.928 2.228 1.00 2.31 H new ATOM 0 HD13 ILE A 64 -0.649 -10.410 3.837 1.00 2.31 H new ATOM 950 N ARG A 65 -4.898 -11.146 6.471 1.00 1.86 N ATOM 951 CA ARG A 65 -4.912 -11.910 7.648 1.00 2.00 C ATOM 952 C ARG A 65 -5.870 -13.035 7.617 1.00 2.17 C ATOM 953 O ARG A 65 -5.669 -14.077 8.249 1.00 2.29 O ATOM 954 CB ARG A 65 -5.236 -11.037 8.723 1.00 1.99 C ATOM 955 CG ARG A 65 -4.136 -11.195 9.558 1.00 2.12 C ATOM 956 CD ARG A 65 -4.308 -10.348 10.637 1.00 2.15 C ATOM 957 NE ARG A 65 -4.151 -11.154 11.733 1.00 2.55 N ATOM 958 CZ ARG A 65 -3.636 -10.729 12.781 1.00 3.02 C ATOM 959 NH1 ARG A 65 -3.122 -9.494 12.797 1.00 3.19 N ATOM 960 NH2 ARG A 65 -3.602 -11.535 13.793 1.00 3.89 N ATOM 0 H ARG A 65 -5.069 -10.149 6.603 1.00 1.86 H new ATOM 0 HA ARG A 65 -3.927 -12.362 7.766 1.00 2.00 H new ATOM 0 HB2 ARG A 65 -5.353 -10.005 8.391 1.00 1.99 H new ATOM 0 HB3 ARG A 65 -6.167 -11.321 9.214 1.00 1.99 H new ATOM 0 HG2 ARG A 65 -4.054 -12.229 9.892 1.00 2.12 H new ATOM 0 HG3 ARG A 65 -3.214 -10.957 9.027 1.00 2.12 H new ATOM 0 HD2 ARG A 65 -3.575 -9.541 10.629 1.00 2.15 H new ATOM 0 HD3 ARG A 65 -5.294 -9.883 10.624 1.00 2.15 H new ATOM 0 HE ARG A 65 -4.463 -12.124 11.688 1.00 2.55 H new ATOM 0 HH11 ARG A 65 -3.156 -8.916 11.957 1.00 3.19 H new ATOM 0 HH12 ARG A 65 -2.696 -9.130 13.649 1.00 3.19 H new ATOM 0 HH21 ARG A 65 -3.988 -12.475 13.709 1.00 3.89 H new ATOM 0 HH22 ARG A 65 -3.189 -11.230 14.674 1.00 3.89 H new ATOM 974 N ASN A 66 -6.906 -12.811 6.880 1.00 2.18 N ATOM 975 CA ASN A 66 -7.918 -13.785 6.723 1.00 2.36 C ATOM 976 C ASN A 66 -7.799 -14.508 5.426 1.00 2.40 C ATOM 977 O ASN A 66 -8.732 -15.190 5.009 1.00 2.55 O ATOM 978 CB ASN A 66 -9.239 -13.128 6.818 1.00 2.40 C ATOM 979 CG ASN A 66 -9.819 -13.420 8.161 1.00 2.94 C ATOM 980 OD1 ASN A 66 -9.233 -14.168 8.950 1.00 3.67 O ATOM 981 ND2 ASN A 66 -10.954 -12.838 8.434 1.00 3.05 N ATOM 0 H ASN A 66 -7.070 -11.943 6.371 1.00 2.18 H new ATOM 0 HA ASN A 66 -7.807 -14.524 7.516 1.00 2.36 H new ATOM 0 HB2 ASN A 66 -9.138 -12.052 6.675 1.00 2.40 H new ATOM 0 HB3 ASN A 66 -9.901 -13.493 6.032 1.00 2.40 H new ATOM 0 HD21 ASN A 66 -11.402 -12.992 9.338 1.00 3.05 H new ATOM 0 HD22 ASN A 66 -11.394 -12.229 7.744 1.00 3.05 H new ATOM 988 N HIS A 67 -6.657 -14.354 4.786 1.00 2.29 N ATOM 989 CA HIS A 67 -6.413 -14.998 3.517 1.00 2.34 C ATOM 990 C HIS A 67 -7.254 -14.423 2.446 1.00 2.35 C ATOM 991 O HIS A 67 -7.930 -15.144 1.708 1.00 2.49 O ATOM 992 CB HIS A 67 -6.756 -16.434 3.571 1.00 2.53 C ATOM 993 CG HIS A 67 -5.792 -17.180 4.309 1.00 2.69 C ATOM 994 ND1 HIS A 67 -4.466 -17.206 4.206 1.00 3.15 N flip ATOM 995 CD2 HIS A 67 -6.156 -18.033 5.287 1.00 2.91 C flip ATOM 996 CE1 HIS A 67 -4.022 -18.099 5.136 1.00 3.46 C flip ATOM 997 NE2 HIS A 67 -5.081 -18.592 5.782 1.00 3.32 N flip ATOM 0 H HIS A 67 -5.882 -13.785 5.128 1.00 2.29 H new ATOM 0 HA HIS A 67 -5.354 -14.848 3.309 1.00 2.34 H new ATOM 0 HB2 HIS A 67 -7.738 -16.556 4.028 1.00 2.53 H new ATOM 0 HB3 HIS A 67 -6.824 -16.830 2.558 1.00 2.53 H new ATOM 0 HD1 HIS A 67 -3.894 -16.664 3.558 1.00 3.15 H new ATOM 0 HD2 HIS A 67 -7.169 -18.224 5.609 1.00 2.91 H new ATOM 0 HE1 HIS A 67 -2.991 -18.362 5.319 1.00 3.46 H new ATOM 1006 N LYS A 68 -7.229 -13.149 2.365 1.00 2.21 N ATOM 1007 CA LYS A 68 -7.992 -12.471 1.389 1.00 2.22 C ATOM 1008 C LYS A 68 -7.339 -12.563 0.039 1.00 2.21 C ATOM 1009 O LYS A 68 -7.981 -12.863 -0.974 1.00 2.32 O ATOM 1010 CB LYS A 68 -8.089 -11.048 1.831 1.00 2.09 C ATOM 1011 CG LYS A 68 -9.382 -10.795 2.480 1.00 2.32 C ATOM 1012 CD LYS A 68 -10.388 -10.951 1.451 1.00 2.53 C ATOM 1013 CE LYS A 68 -11.104 -9.700 1.365 1.00 3.05 C ATOM 1014 NZ LYS A 68 -12.403 -10.068 0.849 1.00 3.55 N ATOM 0 H LYS A 68 -6.678 -12.544 2.974 1.00 2.21 H new ATOM 0 HA LYS A 68 -8.981 -12.919 1.293 1.00 2.22 H new ATOM 0 HB2 LYS A 68 -7.278 -10.820 2.523 1.00 2.09 H new ATOM 0 HB3 LYS A 68 -7.971 -10.386 0.973 1.00 2.09 H new ATOM 0 HG2 LYS A 68 -9.550 -11.495 3.298 1.00 2.32 H new ATOM 0 HG3 LYS A 68 -9.414 -9.792 2.907 1.00 2.32 H new ATOM 0 HD2 LYS A 68 -9.926 -11.197 0.495 1.00 2.53 H new ATOM 0 HD3 LYS A 68 -11.067 -11.768 1.697 1.00 2.53 H new ATOM 0 HE2 LYS A 68 -11.185 -9.220 2.340 1.00 3.05 H new ATOM 0 HE3 LYS A 68 -10.598 -8.996 0.704 1.00 3.05 H new ATOM 0 HZ1 LYS A 68 -12.987 -9.215 0.738 1.00 3.55 H new ATOM 0 HZ2 LYS A 68 -12.291 -10.533 -0.074 1.00 3.55 H new ATOM 0 HZ3 LYS A 68 -12.867 -10.721 1.512 1.00 3.55 H new ATOM 1028 N TYR A 69 -6.048 -12.309 0.049 1.00 2.09 N ATOM 1029 CA TYR A 69 -5.253 -12.357 -1.150 1.00 2.09 C ATOM 1030 C TYR A 69 -4.644 -13.715 -1.324 1.00 2.17 C ATOM 1031 O TYR A 69 -4.418 -14.442 -0.354 1.00 2.42 O ATOM 1032 CB TYR A 69 -4.119 -11.343 -1.090 1.00 1.93 C ATOM 1033 CG TYR A 69 -4.584 -9.927 -1.180 1.00 1.88 C ATOM 1034 CD1 TYR A 69 -5.793 -9.618 -1.808 1.00 2.04 C ATOM 1035 CD2 TYR A 69 -3.842 -8.895 -0.595 1.00 2.39 C ATOM 1036 CE1 TYR A 69 -6.251 -8.334 -1.855 1.00 2.10 C ATOM 1037 CE2 TYR A 69 -4.305 -7.609 -0.623 1.00 2.38 C ATOM 1038 CZ TYR A 69 -5.508 -7.331 -1.252 1.00 1.93 C ATOM 1039 OH TYR A 69 -5.994 -6.064 -1.234 1.00 2.03 O ATOM 0 H TYR A 69 -5.525 -12.064 0.889 1.00 2.09 H new ATOM 0 HA TYR A 69 -5.915 -12.128 -1.985 1.00 2.09 H new ATOM 0 HB2 TYR A 69 -3.569 -11.479 -0.159 1.00 1.93 H new ATOM 0 HB3 TYR A 69 -3.421 -11.541 -1.904 1.00 1.93 H new ATOM 0 HD1 TYR A 69 -6.373 -10.407 -2.263 1.00 2.04 H new ATOM 0 HD2 TYR A 69 -2.898 -9.116 -0.119 1.00 2.39 H new ATOM 0 HE1 TYR A 69 -7.180 -8.102 -2.355 1.00 2.10 H new ATOM 0 HE2 TYR A 69 -3.738 -6.816 -0.159 1.00 2.38 H new ATOM 0 HH TYR A 69 -5.642 -5.568 -2.002 1.00 2.03 H new ATOM 1049 N ARG A 70 -4.382 -14.050 -2.564 1.00 2.22 N ATOM 1050 CA ARG A 70 -3.786 -15.332 -2.889 1.00 2.31 C ATOM 1051 C ARG A 70 -2.849 -15.327 -4.006 1.00 2.21 C ATOM 1052 O ARG A 70 -2.340 -16.379 -4.411 1.00 2.23 O ATOM 1053 CB ARG A 70 -4.800 -16.180 -3.372 1.00 2.60 C ATOM 1054 CG ARG A 70 -5.709 -16.465 -2.356 1.00 2.75 C ATOM 1055 CD ARG A 70 -6.263 -17.659 -2.829 1.00 3.04 C ATOM 1056 NE ARG A 70 -7.028 -18.152 -1.867 1.00 3.62 N ATOM 1057 CZ ARG A 70 -7.663 -19.170 -1.977 1.00 4.05 C ATOM 1058 NH1 ARG A 70 -7.581 -19.816 -3.223 1.00 4.05 N ATOM 1059 NH2 ARG A 70 -8.582 -19.311 -1.058 1.00 4.83 N ATOM 0 H ARG A 70 -4.571 -13.454 -3.370 1.00 2.22 H new ATOM 0 HA ARG A 70 -3.279 -15.627 -1.970 1.00 2.31 H new ATOM 0 HB2 ARG A 70 -5.314 -15.706 -4.208 1.00 2.60 H new ATOM 0 HB3 ARG A 70 -4.363 -17.104 -3.749 1.00 2.60 H new ATOM 0 HG2 ARG A 70 -5.222 -16.590 -1.389 1.00 2.75 H new ATOM 0 HG3 ARG A 70 -6.457 -15.681 -2.238 1.00 2.75 H new ATOM 0 HD2 ARG A 70 -6.849 -17.479 -3.730 1.00 3.04 H new ATOM 0 HD3 ARG A 70 -5.478 -18.367 -3.095 1.00 3.04 H new ATOM 0 HE ARG A 70 -7.083 -17.642 -0.985 1.00 3.62 H new ATOM 0 HH11 ARG A 70 -7.008 -19.418 -3.967 1.00 4.05 H new ATOM 0 HH12 ARG A 70 -8.094 -20.683 -3.383 1.00 4.05 H new ATOM 0 HH21 ARG A 70 -8.702 -18.594 -0.343 1.00 4.83 H new ATOM 0 HH22 ARG A 70 -9.179 -20.138 -1.056 1.00 4.83 H new ATOM 1073 N SER A 71 -2.673 -14.204 -4.558 1.00 2.32 N ATOM 1074 CA SER A 71 -1.849 -14.112 -5.669 1.00 2.24 C ATOM 1075 C SER A 71 -1.022 -12.950 -5.485 1.00 2.04 C ATOM 1076 O SER A 71 -1.495 -11.909 -5.010 1.00 1.98 O ATOM 1077 CB SER A 71 -2.657 -13.955 -6.925 1.00 2.39 C ATOM 1078 OG SER A 71 -3.195 -15.198 -7.335 1.00 2.89 O ATOM 0 H SER A 71 -3.096 -13.328 -4.252 1.00 2.32 H new ATOM 0 HA SER A 71 -1.252 -15.018 -5.769 1.00 2.24 H new ATOM 0 HB2 SER A 71 -3.464 -13.242 -6.757 1.00 2.39 H new ATOM 0 HB3 SER A 71 -2.030 -13.546 -7.717 1.00 2.39 H new ATOM 0 HG SER A 71 -3.719 -15.074 -8.154 1.00 2.89 H new ATOM 1084 N LEU A 72 0.205 -13.073 -5.827 1.00 1.97 N ATOM 1085 CA LEU A 72 0.988 -11.932 -5.626 1.00 1.81 C ATOM 1086 C LEU A 72 0.647 -10.822 -6.568 1.00 1.85 C ATOM 1087 O LEU A 72 0.869 -9.666 -6.237 1.00 1.75 O ATOM 1088 CB LEU A 72 2.438 -12.084 -5.704 1.00 1.77 C ATOM 1089 CG LEU A 72 3.129 -13.130 -6.519 1.00 2.32 C ATOM 1090 CD1 LEU A 72 4.416 -12.410 -6.637 1.00 2.96 C ATOM 1091 CD2 LEU A 72 3.410 -14.448 -5.786 1.00 2.85 C ATOM 0 H LEU A 72 0.660 -13.896 -6.221 1.00 1.97 H new ATOM 0 HA LEU A 72 0.731 -11.709 -4.590 1.00 1.81 H new ATOM 0 HB2 LEU A 72 2.826 -11.125 -6.048 1.00 1.77 H new ATOM 0 HB3 LEU A 72 2.785 -12.219 -4.679 1.00 1.77 H new ATOM 0 HG LEU A 72 2.574 -13.437 -7.405 1.00 2.32 H new ATOM 0 HD11 LEU A 72 5.116 -13.009 -7.220 1.00 2.96 H new ATOM 0 HD12 LEU A 72 4.254 -11.454 -7.134 1.00 2.96 H new ATOM 0 HD13 LEU A 72 4.828 -12.236 -5.643 1.00 2.96 H new ATOM 0 HD21 LEU A 72 3.913 -15.140 -6.462 1.00 2.85 H new ATOM 0 HD22 LEU A 72 4.048 -14.256 -4.923 1.00 2.85 H new ATOM 0 HD23 LEU A 72 2.470 -14.886 -5.452 1.00 2.85 H new ATOM 1103 N ASN A 73 0.145 -11.138 -7.737 1.00 2.01 N ATOM 1104 CA ASN A 73 -0.173 -10.096 -8.683 1.00 2.09 C ATOM 1105 C ASN A 73 -1.160 -9.154 -8.134 1.00 2.04 C ATOM 1106 O ASN A 73 -1.105 -7.947 -8.369 1.00 2.00 O ATOM 1107 CB ASN A 73 -0.821 -10.681 -9.864 1.00 2.33 C ATOM 1108 CG ASN A 73 0.160 -11.401 -10.701 1.00 2.96 C ATOM 1109 OD1 ASN A 73 1.372 -11.188 -10.592 1.00 3.67 O ATOM 1110 ND2 ASN A 73 -0.367 -12.277 -11.512 1.00 3.29 N ATOM 0 H ASN A 73 -0.049 -12.088 -8.052 1.00 2.01 H new ATOM 0 HA ASN A 73 0.764 -9.592 -8.919 1.00 2.09 H new ATOM 0 HB2 ASN A 73 -1.609 -11.366 -9.550 1.00 2.33 H new ATOM 0 HB3 ASN A 73 -1.297 -9.895 -10.450 1.00 2.33 H new ATOM 0 HD21 ASN A 73 0.234 -12.842 -12.112 1.00 3.29 H new ATOM 0 HD22 ASN A 73 -1.379 -12.396 -11.546 1.00 3.29 H new ATOM 1117 N ASP A 74 -2.109 -9.744 -7.454 1.00 2.06 N ATOM 1118 CA ASP A 74 -3.188 -9.004 -6.906 1.00 2.05 C ATOM 1119 C ASP A 74 -2.692 -7.977 -5.955 1.00 1.88 C ATOM 1120 O ASP A 74 -3.079 -6.815 -5.996 1.00 1.88 O ATOM 1121 CB ASP A 74 -4.158 -9.934 -6.206 1.00 2.12 C ATOM 1122 CG ASP A 74 -5.578 -9.600 -6.582 1.00 2.23 C ATOM 1123 OD1 ASP A 74 -5.844 -9.426 -7.792 1.00 2.72 O ATOM 1124 OD2 ASP A 74 -6.420 -9.486 -5.674 1.00 2.38 O ATOM 0 H ASP A 74 -2.145 -10.747 -7.272 1.00 2.06 H new ATOM 0 HA ASP A 74 -3.706 -8.499 -7.721 1.00 2.05 H new ATOM 0 HB2 ASP A 74 -3.938 -10.967 -6.475 1.00 2.12 H new ATOM 0 HB3 ASP A 74 -4.033 -9.853 -5.126 1.00 2.12 H new ATOM 1129 N LEU A 75 -1.833 -8.412 -5.107 1.00 1.75 N ATOM 1130 CA LEU A 75 -1.268 -7.555 -4.123 1.00 1.60 C ATOM 1131 C LEU A 75 -0.456 -6.473 -4.741 1.00 1.56 C ATOM 1132 O LEU A 75 -0.553 -5.329 -4.354 1.00 1.49 O ATOM 1133 CB LEU A 75 -0.362 -8.379 -3.354 1.00 1.53 C ATOM 1134 CG LEU A 75 0.119 -7.933 -1.968 1.00 1.91 C ATOM 1135 CD1 LEU A 75 -0.781 -7.233 -0.926 1.00 2.15 C ATOM 1136 CD2 LEU A 75 0.493 -9.148 -1.287 1.00 2.49 C ATOM 0 H LEU A 75 -1.499 -9.375 -5.073 1.00 1.75 H new ATOM 0 HA LEU A 75 -2.063 -7.099 -3.533 1.00 1.60 H new ATOM 0 HB2 LEU A 75 -0.840 -9.351 -3.230 1.00 1.53 H new ATOM 0 HB3 LEU A 75 0.526 -8.536 -3.966 1.00 1.53 H new ATOM 0 HG LEU A 75 0.840 -7.163 -2.243 1.00 1.91 H new ATOM 0 HD11 LEU A 75 -0.201 -7.022 -0.028 1.00 2.15 H new ATOM 0 HD12 LEU A 75 -1.160 -6.299 -1.341 1.00 2.15 H new ATOM 0 HD13 LEU A 75 -1.618 -7.884 -0.673 1.00 2.15 H new ATOM 0 HD21 LEU A 75 0.849 -8.909 -0.285 1.00 2.49 H new ATOM 0 HD22 LEU A 75 -0.372 -9.807 -1.217 1.00 2.49 H new ATOM 0 HD23 LEU A 75 1.286 -9.648 -1.844 1.00 2.49 H new ATOM 1148 N GLU A 76 0.368 -6.850 -5.681 1.00 1.65 N ATOM 1149 CA GLU A 76 1.215 -5.905 -6.319 1.00 1.67 C ATOM 1150 C GLU A 76 0.452 -4.817 -6.951 1.00 1.72 C ATOM 1151 O GLU A 76 0.825 -3.648 -6.921 1.00 1.68 O ATOM 1152 CB GLU A 76 1.952 -6.590 -7.348 1.00 1.83 C ATOM 1153 CG GLU A 76 3.347 -6.207 -7.259 1.00 1.99 C ATOM 1154 CD GLU A 76 4.133 -7.291 -7.874 1.00 2.50 C ATOM 1155 OE1 GLU A 76 3.568 -7.968 -8.766 1.00 3.02 O ATOM 1156 OE2 GLU A 76 5.241 -7.555 -7.398 1.00 3.02 O ATOM 0 H GLU A 76 0.464 -7.809 -6.016 1.00 1.65 H new ATOM 0 HA GLU A 76 1.869 -5.469 -5.564 1.00 1.67 H new ATOM 0 HB2 GLU A 76 1.849 -7.669 -7.231 1.00 1.83 H new ATOM 0 HB3 GLU A 76 1.553 -6.336 -8.330 1.00 1.83 H new ATOM 0 HG2 GLU A 76 3.521 -5.263 -7.776 1.00 1.99 H new ATOM 0 HG3 GLU A 76 3.641 -6.060 -6.220 1.00 1.99 H new ATOM 1163 N LYS A 77 -0.611 -5.229 -7.538 1.00 1.86 N ATOM 1164 CA LYS A 77 -1.475 -4.352 -8.204 1.00 1.95 C ATOM 1165 C LYS A 77 -2.053 -3.326 -7.304 1.00 1.79 C ATOM 1166 O LYS A 77 -2.228 -2.168 -7.676 1.00 1.79 O ATOM 1167 CB LYS A 77 -2.543 -5.172 -8.751 1.00 2.15 C ATOM 1168 CG LYS A 77 -2.320 -5.259 -10.150 1.00 2.66 C ATOM 1169 CD LYS A 77 -3.447 -4.573 -10.776 1.00 2.96 C ATOM 1170 CE LYS A 77 -3.001 -4.288 -12.124 1.00 3.30 C ATOM 1171 NZ LYS A 77 -2.894 -5.598 -12.791 1.00 4.11 N ATOM 0 H LYS A 77 -0.903 -6.206 -7.564 1.00 1.86 H new ATOM 0 HA LYS A 77 -0.923 -3.810 -8.972 1.00 1.95 H new ATOM 0 HB2 LYS A 77 -2.540 -6.163 -8.297 1.00 2.15 H new ATOM 0 HB3 LYS A 77 -3.516 -4.728 -8.542 1.00 2.15 H new ATOM 0 HG2 LYS A 77 -1.375 -4.790 -10.425 1.00 2.66 H new ATOM 0 HG3 LYS A 77 -2.266 -6.298 -10.474 1.00 2.66 H new ATOM 0 HD2 LYS A 77 -4.340 -5.198 -10.778 1.00 2.96 H new ATOM 0 HD3 LYS A 77 -3.700 -3.658 -10.241 1.00 2.96 H new ATOM 0 HE2 LYS A 77 -3.708 -3.641 -12.642 1.00 3.30 H new ATOM 0 HE3 LYS A 77 -2.041 -3.771 -12.118 1.00 3.30 H new ATOM 0 HZ1 LYS A 77 -3.259 -5.524 -13.762 1.00 4.11 H new ATOM 0 HZ2 LYS A 77 -1.897 -5.894 -12.817 1.00 4.11 H new ATOM 0 HZ3 LYS A 77 -3.450 -6.302 -12.265 1.00 4.11 H new ATOM 1185 N ASP A 78 -2.354 -3.773 -6.124 1.00 1.70 N ATOM 1186 CA ASP A 78 -2.926 -2.931 -5.127 1.00 1.60 C ATOM 1187 C ASP A 78 -1.962 -1.860 -4.716 1.00 1.42 C ATOM 1188 O ASP A 78 -2.316 -0.688 -4.587 1.00 1.36 O ATOM 1189 CB ASP A 78 -3.270 -3.768 -3.930 1.00 1.62 C ATOM 1190 CG ASP A 78 -4.752 -3.773 -3.686 1.00 1.76 C ATOM 1191 OD1 ASP A 78 -5.458 -2.869 -4.182 1.00 2.21 O ATOM 1192 OD2 ASP A 78 -5.213 -4.680 -3.023 1.00 2.01 O ATOM 0 H ASP A 78 -2.208 -4.738 -5.827 1.00 1.70 H new ATOM 0 HA ASP A 78 -3.819 -2.456 -5.534 1.00 1.60 H new ATOM 0 HB2 ASP A 78 -2.919 -4.789 -4.082 1.00 1.62 H new ATOM 0 HB3 ASP A 78 -2.754 -3.382 -3.051 1.00 1.62 H new ATOM 1197 N VAL A 79 -0.745 -2.292 -4.504 1.00 1.36 N ATOM 1198 CA VAL A 79 0.315 -1.409 -4.087 1.00 1.23 C ATOM 1199 C VAL A 79 0.559 -0.331 -5.119 1.00 1.23 C ATOM 1200 O VAL A 79 0.669 0.850 -4.789 1.00 1.14 O ATOM 1201 CB VAL A 79 1.653 -2.134 -3.884 1.00 1.24 C ATOM 1202 CG1 VAL A 79 2.429 -1.450 -2.799 1.00 1.71 C ATOM 1203 CG2 VAL A 79 1.510 -3.582 -3.479 1.00 1.68 C ATOM 0 H VAL A 79 -0.461 -3.265 -4.615 1.00 1.36 H new ATOM 0 HA VAL A 79 -0.021 -0.989 -3.139 1.00 1.23 H new ATOM 0 HB VAL A 79 2.157 -2.100 -4.850 1.00 1.24 H new ATOM 0 HG11 VAL A 79 3.380 -1.963 -2.653 1.00 1.71 H new ATOM 0 HG12 VAL A 79 2.615 -0.414 -3.083 1.00 1.71 H new ATOM 0 HG13 VAL A 79 1.857 -1.475 -1.871 1.00 1.71 H new ATOM 0 HG21 VAL A 79 2.498 -4.024 -3.355 1.00 1.68 H new ATOM 0 HG22 VAL A 79 0.964 -3.644 -2.538 1.00 1.68 H new ATOM 0 HG23 VAL A 79 0.964 -4.124 -4.252 1.00 1.68 H new ATOM 1213 N MET A 80 0.660 -0.762 -6.370 1.00 1.37 N ATOM 1214 CA MET A 80 0.914 0.148 -7.472 1.00 1.42 C ATOM 1215 C MET A 80 -0.199 1.125 -7.615 1.00 1.39 C ATOM 1216 O MET A 80 0.015 2.312 -7.878 1.00 1.35 O ATOM 1217 CB MET A 80 1.121 -0.636 -8.756 1.00 1.61 C ATOM 1218 CG MET A 80 2.510 -1.201 -8.739 1.00 1.68 C ATOM 1219 SD MET A 80 2.857 -2.515 -9.900 1.00 2.14 S ATOM 1220 CE MET A 80 4.413 -2.979 -9.154 1.00 2.00 C ATOM 0 H MET A 80 0.569 -1.740 -6.644 1.00 1.37 H new ATOM 0 HA MET A 80 1.824 0.710 -7.261 1.00 1.42 H new ATOM 0 HB2 MET A 80 0.386 -1.437 -8.836 1.00 1.61 H new ATOM 0 HB3 MET A 80 0.984 0.010 -9.623 1.00 1.61 H new ATOM 0 HG2 MET A 80 3.211 -0.387 -8.927 1.00 1.68 H new ATOM 0 HG3 MET A 80 2.714 -1.572 -7.735 1.00 1.68 H new ATOM 0 HE1 MET A 80 4.755 -3.922 -9.581 1.00 2.00 H new ATOM 0 HE2 MET A 80 5.154 -2.204 -9.347 1.00 2.00 H new ATOM 0 HE3 MET A 80 4.281 -3.095 -8.078 1.00 2.00 H new ATOM 1230 N LEU A 81 -1.387 0.611 -7.430 1.00 1.44 N ATOM 1231 CA LEU A 81 -2.561 1.409 -7.530 1.00 1.45 C ATOM 1232 C LEU A 81 -2.616 2.484 -6.479 1.00 1.29 C ATOM 1233 O LEU A 81 -3.003 3.624 -6.749 1.00 1.28 O ATOM 1234 CB LEU A 81 -3.786 0.550 -7.458 1.00 1.56 C ATOM 1235 CG LEU A 81 -4.790 1.073 -8.471 1.00 1.97 C ATOM 1236 CD1 LEU A 81 -5.230 0.053 -9.464 1.00 2.28 C ATOM 1237 CD2 LEU A 81 -6.024 1.601 -7.834 1.00 2.51 C ATOM 0 H LEU A 81 -1.558 -0.370 -7.207 1.00 1.44 H new ATOM 0 HA LEU A 81 -2.526 1.907 -8.499 1.00 1.45 H new ATOM 0 HB2 LEU A 81 -3.535 -0.489 -7.672 1.00 1.56 H new ATOM 0 HB3 LEU A 81 -4.210 0.575 -6.454 1.00 1.56 H new ATOM 0 HG LEU A 81 -4.242 1.867 -8.977 1.00 1.97 H new ATOM 0 HD11 LEU A 81 -5.946 0.501 -10.153 1.00 2.28 H new ATOM 0 HD12 LEU A 81 -4.366 -0.308 -10.022 1.00 2.28 H new ATOM 0 HD13 LEU A 81 -5.700 -0.782 -8.944 1.00 2.28 H new ATOM 0 HD21 LEU A 81 -6.706 1.961 -8.605 1.00 2.51 H new ATOM 0 HD22 LEU A 81 -6.507 0.808 -7.264 1.00 2.51 H new ATOM 0 HD23 LEU A 81 -5.766 2.422 -7.166 1.00 2.51 H new ATOM 1249 N LEU A 82 -2.228 2.108 -5.288 1.00 1.20 N ATOM 1250 CA LEU A 82 -2.219 3.009 -4.175 1.00 1.09 C ATOM 1251 C LEU A 82 -1.297 4.198 -4.418 1.00 1.03 C ATOM 1252 O LEU A 82 -1.643 5.341 -4.104 1.00 1.00 O ATOM 1253 CB LEU A 82 -1.805 2.250 -2.940 1.00 1.04 C ATOM 1254 CG LEU A 82 -2.451 2.806 -1.690 1.00 1.00 C ATOM 1255 CD1 LEU A 82 -2.026 2.052 -0.454 1.00 1.60 C ATOM 1256 CD2 LEU A 82 -2.084 4.266 -1.505 1.00 1.36 C ATOM 0 H LEU A 82 -1.909 1.165 -5.067 1.00 1.20 H new ATOM 0 HA LEU A 82 -3.222 3.414 -4.040 1.00 1.09 H new ATOM 0 HB2 LEU A 82 -2.076 1.200 -3.052 1.00 1.04 H new ATOM 0 HB3 LEU A 82 -0.721 2.290 -2.836 1.00 1.04 H new ATOM 0 HG LEU A 82 -3.528 2.698 -1.820 1.00 1.00 H new ATOM 0 HD11 LEU A 82 -2.513 2.483 0.421 1.00 1.60 H new ATOM 0 HD12 LEU A 82 -2.314 1.005 -0.550 1.00 1.60 H new ATOM 0 HD13 LEU A 82 -0.944 2.122 -0.339 1.00 1.60 H new ATOM 0 HD21 LEU A 82 -2.558 4.649 -0.601 1.00 1.36 H new ATOM 0 HD22 LEU A 82 -1.002 4.361 -1.415 1.00 1.36 H new ATOM 0 HD23 LEU A 82 -2.428 4.840 -2.366 1.00 1.36 H new ATOM 1268 N CYS A 83 -0.136 3.919 -5.002 1.00 1.06 N ATOM 1269 CA CYS A 83 0.845 4.952 -5.317 1.00 1.06 C ATOM 1270 C CYS A 83 0.236 5.988 -6.249 1.00 1.11 C ATOM 1271 O CYS A 83 0.379 7.192 -6.046 1.00 1.11 O ATOM 1272 CB CYS A 83 2.064 4.317 -5.990 1.00 1.12 C ATOM 1273 SG CYS A 83 3.590 4.432 -5.021 1.00 1.51 S ATOM 0 H CYS A 83 0.150 2.977 -5.269 1.00 1.06 H new ATOM 0 HA CYS A 83 1.151 5.440 -4.392 1.00 1.06 H new ATOM 0 HB2 CYS A 83 1.850 3.267 -6.187 1.00 1.12 H new ATOM 0 HB3 CYS A 83 2.223 4.797 -6.956 1.00 1.12 H new ATOM 0 HG CYS A 83 4.100 3.246 -4.872 1.00 1.51 H new ATOM 1279 N GLN A 84 -0.446 5.499 -7.267 1.00 1.20 N ATOM 1280 CA GLN A 84 -1.087 6.352 -8.249 1.00 1.29 C ATOM 1281 C GLN A 84 -2.135 7.215 -7.682 1.00 1.22 C ATOM 1282 O GLN A 84 -2.254 8.385 -8.039 1.00 1.26 O ATOM 1283 CB GLN A 84 -1.729 5.503 -9.264 1.00 1.43 C ATOM 1284 CG GLN A 84 -0.673 5.033 -10.178 1.00 1.74 C ATOM 1285 CD GLN A 84 -1.042 5.265 -11.602 1.00 2.26 C ATOM 1286 OE1 GLN A 84 -0.819 6.349 -12.156 1.00 2.90 O ATOM 1287 NE2 GLN A 84 -1.672 4.252 -12.167 1.00 2.73 N ATOM 0 H GLN A 84 -0.571 4.501 -7.436 1.00 1.20 H new ATOM 0 HA GLN A 84 -0.306 6.992 -8.660 1.00 1.29 H new ATOM 0 HB2 GLN A 84 -2.234 4.659 -8.795 1.00 1.43 H new ATOM 0 HB3 GLN A 84 -2.487 6.064 -9.810 1.00 1.43 H new ATOM 0 HG2 GLN A 84 0.260 5.550 -9.954 1.00 1.74 H new ATOM 0 HG3 GLN A 84 -0.496 3.970 -10.015 1.00 1.74 H new ATOM 0 HE21 GLN A 84 -1.819 3.388 -11.645 1.00 2.73 H new ATOM 0 HE22 GLN A 84 -2.012 4.333 -13.125 1.00 2.73 H new ATOM 1296 N ASN A 85 -2.915 6.608 -6.832 1.00 1.14 N ATOM 1297 CA ASN A 85 -4.005 7.286 -6.217 1.00 1.10 C ATOM 1298 C ASN A 85 -3.502 8.463 -5.413 1.00 1.04 C ATOM 1299 O ASN A 85 -4.137 9.514 -5.368 1.00 1.09 O ATOM 1300 CB ASN A 85 -4.764 6.328 -5.326 1.00 1.05 C ATOM 1301 CG ASN A 85 -5.775 5.505 -6.096 1.00 1.24 C ATOM 1302 OD1 ASN A 85 -5.910 5.634 -7.316 1.00 1.47 O ATOM 1303 ND2 ASN A 85 -6.488 4.652 -5.383 1.00 1.24 N ATOM 0 H ASN A 85 -2.808 5.633 -6.551 1.00 1.14 H new ATOM 0 HA ASN A 85 -4.676 7.658 -6.991 1.00 1.10 H new ATOM 0 HB2 ASN A 85 -4.059 5.661 -4.829 1.00 1.05 H new ATOM 0 HB3 ASN A 85 -5.276 6.890 -4.545 1.00 1.05 H new ATOM 0 HD21 ASN A 85 -7.186 4.064 -5.839 1.00 1.24 H new ATOM 0 HD22 ASN A 85 -6.341 4.581 -4.376 1.00 1.24 H new ATOM 1310 N ALA A 86 -2.346 8.279 -4.786 1.00 0.98 N ATOM 1311 CA ALA A 86 -1.749 9.327 -3.988 1.00 0.97 C ATOM 1312 C ALA A 86 -1.293 10.480 -4.864 1.00 1.08 C ATOM 1313 O ALA A 86 -1.481 11.643 -4.518 1.00 1.15 O ATOM 1314 CB ALA A 86 -0.587 8.777 -3.183 1.00 0.94 C ATOM 0 H ALA A 86 -1.809 7.413 -4.819 1.00 0.98 H new ATOM 0 HA ALA A 86 -2.503 9.705 -3.298 1.00 0.97 H new ATOM 0 HB1 ALA A 86 -0.147 9.576 -2.587 1.00 0.94 H new ATOM 0 HB2 ALA A 86 -0.944 7.986 -2.523 1.00 0.94 H new ATOM 0 HB3 ALA A 86 0.166 8.373 -3.860 1.00 0.94 H new ATOM 1320 N GLN A 87 -0.704 10.150 -6.002 1.00 1.12 N ATOM 1321 CA GLN A 87 -0.229 11.161 -6.929 1.00 1.25 C ATOM 1322 C GLN A 87 -1.362 11.939 -7.545 1.00 1.31 C ATOM 1323 O GLN A 87 -1.225 13.116 -7.849 1.00 1.44 O ATOM 1324 CB GLN A 87 0.546 10.514 -8.023 1.00 1.33 C ATOM 1325 CG GLN A 87 2.008 10.718 -7.862 1.00 1.51 C ATOM 1326 CD GLN A 87 2.753 9.998 -8.937 1.00 1.63 C ATOM 1327 OE1 GLN A 87 2.241 9.818 -10.044 1.00 2.21 O ATOM 1328 NE2 GLN A 87 3.947 9.553 -8.610 1.00 1.77 N ATOM 0 H GLN A 87 -0.544 9.189 -6.305 1.00 1.12 H new ATOM 0 HA GLN A 87 0.398 11.850 -6.363 1.00 1.25 H new ATOM 0 HB2 GLN A 87 0.328 9.446 -8.040 1.00 1.33 H new ATOM 0 HB3 GLN A 87 0.226 10.919 -8.983 1.00 1.33 H new ATOM 0 HG2 GLN A 87 2.240 11.782 -7.900 1.00 1.51 H new ATOM 0 HG3 GLN A 87 2.327 10.357 -6.884 1.00 1.51 H new ATOM 0 HE21 GLN A 87 4.320 9.732 -7.678 1.00 1.77 H new ATOM 0 HE22 GLN A 87 4.499 9.029 -9.289 1.00 1.77 H new ATOM 1337 N THR A 88 -2.477 11.267 -7.734 1.00 1.25 N ATOM 1338 CA THR A 88 -3.658 11.885 -8.312 1.00 1.33 C ATOM 1339 C THR A 88 -4.133 13.029 -7.457 1.00 1.33 C ATOM 1340 O THR A 88 -4.660 14.028 -7.957 1.00 1.44 O ATOM 1341 CB THR A 88 -4.809 10.909 -8.363 1.00 1.29 C ATOM 1342 OG1 THR A 88 -4.427 9.625 -7.909 1.00 1.66 O ATOM 1343 CG2 THR A 88 -5.408 10.775 -9.735 1.00 1.99 C ATOM 0 H THR A 88 -2.594 10.283 -7.494 1.00 1.25 H new ATOM 0 HA THR A 88 -3.374 12.219 -9.310 1.00 1.33 H new ATOM 0 HB THR A 88 -5.565 11.327 -7.698 1.00 1.29 H new ATOM 0 HG1 THR A 88 -3.665 9.305 -8.436 1.00 1.66 H new ATOM 0 HG21 THR A 88 -6.230 10.060 -9.705 1.00 1.99 H new ATOM 0 HG22 THR A 88 -5.782 11.744 -10.065 1.00 1.99 H new ATOM 0 HG23 THR A 88 -4.647 10.424 -10.432 1.00 1.99 H new ATOM 1351 N PHE A 89 -4.006 12.836 -6.159 1.00 1.23 N ATOM 1352 CA PHE A 89 -4.473 13.798 -5.203 1.00 1.28 C ATOM 1353 C PHE A 89 -3.391 14.808 -4.863 1.00 1.34 C ATOM 1354 O PHE A 89 -3.665 16.007 -4.737 1.00 1.47 O ATOM 1355 CB PHE A 89 -4.933 13.077 -3.926 1.00 1.22 C ATOM 1356 CG PHE A 89 -5.732 13.966 -3.068 1.00 1.27 C ATOM 1357 CD1 PHE A 89 -7.036 14.020 -3.337 1.00 1.93 C ATOM 1358 CD2 PHE A 89 -5.250 14.736 -2.034 1.00 1.59 C ATOM 1359 CE1 PHE A 89 -7.900 14.789 -2.651 1.00 2.09 C ATOM 1360 CE2 PHE A 89 -6.076 15.525 -1.323 1.00 1.66 C ATOM 1361 CZ PHE A 89 -7.466 15.568 -1.615 1.00 1.57 C ATOM 0 H PHE A 89 -3.576 12.008 -5.747 1.00 1.23 H new ATOM 0 HA PHE A 89 -5.312 14.337 -5.644 1.00 1.28 H new ATOM 0 HB2 PHE A 89 -5.522 12.200 -4.193 1.00 1.22 H new ATOM 0 HB3 PHE A 89 -4.063 12.720 -3.374 1.00 1.22 H new ATOM 0 HD1 PHE A 89 -7.418 13.416 -4.147 1.00 1.93 H new ATOM 0 HD2 PHE A 89 -4.198 14.707 -1.791 1.00 1.59 H new ATOM 0 HE1 PHE A 89 -8.946 14.791 -2.921 1.00 2.09 H new ATOM 0 HE2 PHE A 89 -5.679 16.132 -0.523 1.00 1.66 H new ATOM 0 HZ PHE A 89 -8.146 16.185 -1.047 1.00 1.57 H new ATOM 1371 N ASN A 90 -2.191 14.303 -4.714 1.00 1.27 N ATOM 1372 CA ASN A 90 -1.031 15.107 -4.389 1.00 1.35 C ATOM 1373 C ASN A 90 -0.382 15.659 -5.640 1.00 1.48 C ATOM 1374 O ASN A 90 -0.517 15.098 -6.717 1.00 1.58 O ATOM 1375 CB ASN A 90 0.021 14.239 -3.759 1.00 1.27 C ATOM 1376 CG ASN A 90 -0.172 14.016 -2.279 1.00 1.68 C ATOM 1377 OD1 ASN A 90 -0.539 12.916 -1.869 1.00 2.41 O ATOM 1378 ND2 ASN A 90 0.068 15.061 -1.470 1.00 2.02 N ATOM 0 H ASN A 90 -1.986 13.309 -4.816 1.00 1.27 H new ATOM 0 HA ASN A 90 -1.373 15.907 -3.732 1.00 1.35 H new ATOM 0 HB2 ASN A 90 0.030 13.273 -4.263 1.00 1.27 H new ATOM 0 HB3 ASN A 90 0.998 14.693 -3.923 1.00 1.27 H new ATOM 0 HD21 ASN A 90 -0.053 14.964 -0.462 1.00 2.02 H new ATOM 0 HD22 ASN A 90 0.371 15.952 -1.864 1.00 2.02 H new ATOM 1385 N LEU A 91 0.371 16.720 -5.492 1.00 1.66 N ATOM 1386 CA LEU A 91 1.078 17.278 -6.630 1.00 1.82 C ATOM 1387 C LEU A 91 2.532 17.166 -6.495 1.00 1.70 C ATOM 1388 O LEU A 91 3.063 16.646 -5.514 1.00 1.60 O ATOM 1389 CB LEU A 91 0.847 18.721 -6.746 1.00 2.14 C ATOM 1390 CG LEU A 91 -0.386 19.145 -6.077 1.00 2.81 C ATOM 1391 CD1 LEU A 91 -0.190 20.347 -5.186 1.00 3.21 C ATOM 1392 CD2 LEU A 91 -1.251 19.465 -7.213 1.00 3.53 C ATOM 0 H LEU A 91 0.513 17.213 -4.610 1.00 1.66 H new ATOM 0 HA LEU A 91 0.704 16.716 -7.486 1.00 1.82 H new ATOM 0 HB2 LEU A 91 1.693 19.257 -6.316 1.00 2.14 H new ATOM 0 HB3 LEU A 91 0.798 18.995 -7.800 1.00 2.14 H new ATOM 0 HG LEU A 91 -0.784 18.385 -5.404 1.00 2.81 H new ATOM 0 HD11 LEU A 91 -1.139 20.612 -4.719 1.00 3.21 H new ATOM 0 HD12 LEU A 91 0.542 20.112 -4.413 1.00 3.21 H new ATOM 0 HD13 LEU A 91 0.169 21.187 -5.781 1.00 3.21 H new ATOM 0 HD21 LEU A 91 -2.222 19.801 -6.848 1.00 3.53 H new ATOM 0 HD22 LEU A 91 -0.793 20.256 -7.807 1.00 3.53 H new ATOM 0 HD23 LEU A 91 -1.383 18.577 -7.831 1.00 3.53 H new ATOM 1404 N GLU A 92 3.183 17.754 -7.466 1.00 1.77 N ATOM 1405 CA GLU A 92 4.591 17.800 -7.429 1.00 1.71 C ATOM 1406 C GLU A 92 5.059 18.957 -6.599 1.00 1.74 C ATOM 1407 O GLU A 92 4.598 20.096 -6.743 1.00 1.91 O ATOM 1408 CB GLU A 92 5.229 17.916 -8.780 1.00 1.85 C ATOM 1409 CG GLU A 92 4.345 18.438 -9.893 1.00 1.71 C ATOM 1410 CD GLU A 92 5.182 18.732 -11.126 1.00 1.63 C ATOM 1411 OE1 GLU A 92 6.313 18.200 -11.207 1.00 2.16 O ATOM 1412 OE2 GLU A 92 4.730 19.499 -11.996 1.00 1.92 O ATOM 0 H GLU A 92 2.751 18.198 -8.276 1.00 1.77 H new ATOM 0 HA GLU A 92 4.895 16.848 -6.993 1.00 1.71 H new ATOM 0 HB2 GLU A 92 6.096 18.571 -8.695 1.00 1.85 H new ATOM 0 HB3 GLU A 92 5.600 16.933 -9.069 1.00 1.85 H new ATOM 0 HG2 GLU A 92 3.576 17.704 -10.132 1.00 1.71 H new ATOM 0 HG3 GLU A 92 3.832 19.343 -9.567 1.00 1.71 H new ATOM 1419 N GLY A 93 6.008 18.641 -5.759 1.00 1.65 N ATOM 1420 CA GLY A 93 6.612 19.626 -4.908 1.00 1.77 C ATOM 1421 C GLY A 93 6.109 19.524 -3.504 1.00 1.76 C ATOM 1422 O GLY A 93 5.606 20.497 -2.940 1.00 1.92 O ATOM 0 H GLY A 93 6.381 17.698 -5.647 1.00 1.65 H new ATOM 0 HA2 GLY A 93 7.695 19.501 -4.917 1.00 1.77 H new ATOM 0 HA3 GLY A 93 6.403 20.622 -5.298 1.00 1.77 H new ATOM 1426 N SER A 94 6.191 18.332 -2.955 1.00 1.62 N ATOM 1427 CA SER A 94 5.678 18.094 -1.642 1.00 1.66 C ATOM 1428 C SER A 94 6.276 16.831 -1.067 1.00 1.58 C ATOM 1429 O SER A 94 6.841 16.002 -1.783 1.00 1.50 O ATOM 1430 CB SER A 94 4.164 17.986 -1.791 1.00 1.67 C ATOM 1431 OG SER A 94 3.498 17.730 -0.565 1.00 2.18 O ATOM 0 H SER A 94 6.610 17.518 -3.405 1.00 1.62 H new ATOM 0 HA SER A 94 5.936 18.897 -0.952 1.00 1.66 H new ATOM 0 HB2 SER A 94 3.781 18.912 -2.219 1.00 1.67 H new ATOM 0 HB3 SER A 94 3.931 17.189 -2.497 1.00 1.67 H new ATOM 0 HG SER A 94 2.532 17.673 -0.723 1.00 2.18 H new ATOM 1437 N LEU A 95 6.158 16.699 0.224 1.00 1.66 N ATOM 1438 CA LEU A 95 6.689 15.550 0.912 1.00 1.65 C ATOM 1439 C LEU A 95 6.107 14.258 0.438 1.00 1.42 C ATOM 1440 O LEU A 95 6.788 13.244 0.330 1.00 1.37 O ATOM 1441 CB LEU A 95 6.413 15.694 2.366 1.00 1.83 C ATOM 1442 CG LEU A 95 7.693 15.916 3.115 1.00 2.27 C ATOM 1443 CD1 LEU A 95 7.662 17.221 3.813 1.00 2.67 C ATOM 1444 CD2 LEU A 95 7.927 14.875 4.147 1.00 2.68 C ATOM 0 H LEU A 95 5.695 17.378 0.828 1.00 1.66 H new ATOM 0 HA LEU A 95 7.759 15.516 0.705 1.00 1.65 H new ATOM 0 HB2 LEU A 95 5.735 16.531 2.534 1.00 1.83 H new ATOM 0 HB3 LEU A 95 5.915 14.800 2.740 1.00 1.83 H new ATOM 0 HG LEU A 95 8.490 15.880 2.373 1.00 2.27 H new ATOM 0 HD11 LEU A 95 8.598 17.368 4.352 1.00 2.67 H new ATOM 0 HD12 LEU A 95 7.534 18.021 3.084 1.00 2.67 H new ATOM 0 HD13 LEU A 95 6.831 17.237 4.518 1.00 2.67 H new ATOM 0 HD21 LEU A 95 8.866 15.078 4.663 1.00 2.68 H new ATOM 0 HD22 LEU A 95 7.108 14.885 4.866 1.00 2.68 H new ATOM 0 HD23 LEU A 95 7.979 13.896 3.671 1.00 2.68 H new ATOM 1456 N ILE A 96 4.844 14.309 0.190 1.00 1.32 N ATOM 1457 CA ILE A 96 4.096 13.149 -0.241 1.00 1.14 C ATOM 1458 C ILE A 96 4.538 12.690 -1.576 1.00 1.07 C ATOM 1459 O ILE A 96 4.690 11.494 -1.817 1.00 1.00 O ATOM 1460 CB ILE A 96 2.637 13.500 -0.311 1.00 1.12 C ATOM 1461 CG1 ILE A 96 2.394 14.382 0.927 1.00 1.25 C ATOM 1462 CG2 ILE A 96 1.789 12.232 -0.457 1.00 1.00 C ATOM 1463 CD1 ILE A 96 1.294 14.002 1.877 1.00 1.66 C ATOM 0 H ILE A 96 4.285 15.157 0.277 1.00 1.32 H new ATOM 0 HA ILE A 96 4.267 12.348 0.478 1.00 1.14 H new ATOM 0 HB ILE A 96 2.334 14.068 -1.191 1.00 1.12 H new ATOM 0 HG12 ILE A 96 3.324 14.418 1.495 1.00 1.25 H new ATOM 0 HG13 ILE A 96 2.194 15.395 0.577 1.00 1.25 H new ATOM 0 HG21 ILE A 96 0.734 12.503 -0.506 1.00 1.00 H new ATOM 0 HG22 ILE A 96 2.072 11.708 -1.370 1.00 1.00 H new ATOM 0 HG23 ILE A 96 1.957 11.581 0.401 1.00 1.00 H new ATOM 0 HD11 ILE A 96 1.254 14.723 2.694 1.00 1.66 H new ATOM 0 HD12 ILE A 96 0.341 13.999 1.348 1.00 1.66 H new ATOM 0 HD13 ILE A 96 1.488 13.008 2.280 1.00 1.66 H new ATOM 1475 N TYR A 97 4.749 13.653 -2.440 1.00 1.15 N ATOM 1476 CA TYR A 97 5.185 13.362 -3.762 1.00 1.17 C ATOM 1477 C TYR A 97 6.493 12.627 -3.692 1.00 1.22 C ATOM 1478 O TYR A 97 6.697 11.620 -4.365 1.00 1.21 O ATOM 1479 CB TYR A 97 5.334 14.646 -4.536 1.00 1.31 C ATOM 1480 CG TYR A 97 5.471 14.417 -5.994 1.00 1.33 C ATOM 1481 CD1 TYR A 97 4.392 13.978 -6.772 1.00 1.57 C ATOM 1482 CD2 TYR A 97 6.695 14.653 -6.593 1.00 1.92 C ATOM 1483 CE1 TYR A 97 4.551 13.785 -8.129 1.00 1.67 C ATOM 1484 CE2 TYR A 97 6.868 14.474 -7.935 1.00 2.04 C ATOM 1485 CZ TYR A 97 5.801 14.040 -8.709 1.00 1.59 C ATOM 1486 OH TYR A 97 5.988 13.877 -10.061 1.00 1.80 O ATOM 0 H TYR A 97 4.622 14.645 -2.240 1.00 1.15 H new ATOM 0 HA TYR A 97 4.453 12.736 -4.272 1.00 1.17 H new ATOM 0 HB2 TYR A 97 4.467 15.281 -4.351 1.00 1.31 H new ATOM 0 HB3 TYR A 97 6.208 15.186 -4.173 1.00 1.31 H new ATOM 0 HD1 TYR A 97 3.434 13.790 -6.309 1.00 1.57 H new ATOM 0 HD2 TYR A 97 7.527 14.984 -5.989 1.00 1.92 H new ATOM 0 HE1 TYR A 97 3.725 13.443 -8.735 1.00 1.67 H new ATOM 0 HE2 TYR A 97 7.828 14.669 -8.391 1.00 2.04 H new ATOM 0 HH TYR A 97 6.914 14.099 -10.292 1.00 1.80 H new ATOM 1496 N GLU A 98 7.363 13.139 -2.849 1.00 1.33 N ATOM 1497 CA GLU A 98 8.649 12.556 -2.659 1.00 1.44 C ATOM 1498 C GLU A 98 8.590 11.147 -2.167 1.00 1.34 C ATOM 1499 O GLU A 98 9.324 10.289 -2.643 1.00 1.39 O ATOM 1500 CB GLU A 98 9.478 13.385 -1.736 1.00 1.62 C ATOM 1501 CG GLU A 98 10.772 13.512 -2.461 1.00 1.92 C ATOM 1502 CD GLU A 98 11.991 13.868 -1.654 1.00 2.30 C ATOM 1503 OE1 GLU A 98 11.895 14.717 -0.751 1.00 2.90 O ATOM 1504 OE2 GLU A 98 13.064 13.300 -1.954 1.00 2.68 O ATOM 0 H GLU A 98 7.188 13.969 -2.283 1.00 1.33 H new ATOM 0 HA GLU A 98 9.116 12.530 -3.643 1.00 1.44 H new ATOM 0 HB2 GLU A 98 9.023 14.358 -1.551 1.00 1.62 H new ATOM 0 HB3 GLU A 98 9.605 12.903 -0.767 1.00 1.62 H new ATOM 0 HG2 GLU A 98 10.968 12.566 -2.966 1.00 1.92 H new ATOM 0 HG3 GLU A 98 10.650 14.268 -3.236 1.00 1.92 H new ATOM 1511 N ASP A 99 7.716 10.925 -1.224 1.00 1.22 N ATOM 1512 CA ASP A 99 7.532 9.624 -0.635 1.00 1.16 C ATOM 1513 C ASP A 99 7.048 8.612 -1.645 1.00 1.05 C ATOM 1514 O ASP A 99 7.407 7.436 -1.590 1.00 1.07 O ATOM 1515 CB ASP A 99 6.534 9.743 0.500 1.00 1.13 C ATOM 1516 CG ASP A 99 7.188 10.255 1.769 1.00 1.36 C ATOM 1517 OD1 ASP A 99 8.438 10.235 1.848 1.00 1.96 O ATOM 1518 OD2 ASP A 99 6.456 10.686 2.678 1.00 1.72 O ATOM 0 H ASP A 99 7.106 11.646 -0.839 1.00 1.22 H new ATOM 0 HA ASP A 99 8.494 9.272 -0.263 1.00 1.16 H new ATOM 0 HB2 ASP A 99 5.729 10.417 0.208 1.00 1.13 H new ATOM 0 HB3 ASP A 99 6.082 8.770 0.691 1.00 1.13 H new ATOM 1523 N SER A 100 6.219 9.069 -2.555 1.00 0.98 N ATOM 1524 CA SER A 100 5.662 8.209 -3.562 1.00 0.96 C ATOM 1525 C SER A 100 6.739 7.735 -4.544 1.00 1.08 C ATOM 1526 O SER A 100 6.716 6.598 -5.008 1.00 1.12 O ATOM 1527 CB SER A 100 4.494 8.953 -4.218 1.00 0.94 C ATOM 1528 OG SER A 100 4.736 9.275 -5.575 1.00 1.72 O ATOM 0 H SER A 100 5.916 10.041 -2.615 1.00 0.98 H new ATOM 0 HA SER A 100 5.272 7.289 -3.125 1.00 0.96 H new ATOM 0 HB2 SER A 100 3.596 8.339 -4.151 1.00 0.94 H new ATOM 0 HB3 SER A 100 4.296 9.870 -3.662 1.00 0.94 H new ATOM 0 HG SER A 100 5.358 10.031 -5.626 1.00 1.72 H new ATOM 1534 N ILE A 101 7.701 8.593 -4.816 1.00 1.19 N ATOM 1535 CA ILE A 101 8.807 8.256 -5.714 1.00 1.35 C ATOM 1536 C ILE A 101 9.734 7.258 -5.103 1.00 1.40 C ATOM 1537 O ILE A 101 10.121 6.281 -5.741 1.00 1.47 O ATOM 1538 CB ILE A 101 9.564 9.513 -6.072 1.00 1.48 C ATOM 1539 CG1 ILE A 101 8.445 10.449 -6.458 1.00 1.44 C ATOM 1540 CG2 ILE A 101 10.580 9.228 -7.181 1.00 1.66 C ATOM 1541 CD1 ILE A 101 8.779 11.595 -7.366 1.00 2.05 C ATOM 0 H ILE A 101 7.747 9.536 -4.430 1.00 1.19 H new ATOM 0 HA ILE A 101 8.387 7.805 -6.613 1.00 1.35 H new ATOM 0 HB ILE A 101 10.181 9.937 -5.280 1.00 1.48 H new ATOM 0 HG12 ILE A 101 7.663 9.859 -6.936 1.00 1.44 H new ATOM 0 HG13 ILE A 101 8.019 10.859 -5.542 1.00 1.44 H new ATOM 0 HG21 ILE A 101 11.117 10.144 -7.427 1.00 1.66 H new ATOM 0 HG22 ILE A 101 11.288 8.473 -6.840 1.00 1.66 H new ATOM 0 HG23 ILE A 101 10.059 8.864 -8.067 1.00 1.66 H new ATOM 0 HD11 ILE A 101 7.880 12.181 -7.557 1.00 2.05 H new ATOM 0 HD12 ILE A 101 9.531 12.227 -6.893 1.00 2.05 H new ATOM 0 HD13 ILE A 101 9.169 11.211 -8.309 1.00 2.05 H new ATOM 1553 N VAL A 102 10.075 7.513 -3.862 1.00 1.39 N ATOM 1554 CA VAL A 102 10.970 6.636 -3.126 1.00 1.47 C ATOM 1555 C VAL A 102 10.418 5.240 -3.039 1.00 1.37 C ATOM 1556 O VAL A 102 11.114 4.258 -3.280 1.00 1.45 O ATOM 1557 CB VAL A 102 11.207 7.086 -1.676 1.00 1.51 C ATOM 1558 CG1 VAL A 102 12.673 7.282 -1.425 1.00 2.12 C ATOM 1559 CG2 VAL A 102 10.525 8.377 -1.337 1.00 1.73 C ATOM 0 H VAL A 102 9.748 8.322 -3.335 1.00 1.39 H new ATOM 0 HA VAL A 102 11.905 6.672 -3.685 1.00 1.47 H new ATOM 0 HB VAL A 102 10.790 6.294 -1.053 1.00 1.51 H new ATOM 0 HG11 VAL A 102 12.826 7.601 -0.394 1.00 2.12 H new ATOM 0 HG12 VAL A 102 13.200 6.344 -1.597 1.00 2.12 H new ATOM 0 HG13 VAL A 102 13.059 8.044 -2.102 1.00 2.12 H new ATOM 0 HG21 VAL A 102 10.733 8.637 -0.299 1.00 1.73 H new ATOM 0 HG22 VAL A 102 10.896 9.167 -1.990 1.00 1.73 H new ATOM 0 HG23 VAL A 102 9.449 8.267 -1.475 1.00 1.73 H new ATOM 1569 N LEU A 103 9.166 5.177 -2.661 1.00 1.23 N ATOM 1570 CA LEU A 103 8.467 3.925 -2.490 1.00 1.16 C ATOM 1571 C LEU A 103 8.486 3.077 -3.713 1.00 1.20 C ATOM 1572 O LEU A 103 8.738 1.879 -3.679 1.00 1.23 O ATOM 1573 CB LEU A 103 7.038 4.230 -2.334 1.00 1.07 C ATOM 1574 CG LEU A 103 6.497 4.285 -0.948 1.00 1.22 C ATOM 1575 CD1 LEU A 103 5.168 4.925 -1.069 1.00 1.49 C ATOM 1576 CD2 LEU A 103 6.284 2.904 -0.400 1.00 1.97 C ATOM 0 H LEU A 103 8.597 6.000 -2.461 1.00 1.23 H new ATOM 0 HA LEU A 103 8.945 3.418 -1.652 1.00 1.16 H new ATOM 0 HB2 LEU A 103 6.845 5.192 -2.809 1.00 1.07 H new ATOM 0 HB3 LEU A 103 6.471 3.481 -2.887 1.00 1.07 H new ATOM 0 HG LEU A 103 7.184 4.818 -0.290 1.00 1.22 H new ATOM 0 HD11 LEU A 103 4.709 4.999 -0.083 1.00 1.49 H new ATOM 0 HD12 LEU A 103 5.282 5.923 -1.492 1.00 1.49 H new ATOM 0 HD13 LEU A 103 4.533 4.325 -1.721 1.00 1.49 H new ATOM 0 HD21 LEU A 103 5.888 2.972 0.613 1.00 1.97 H new ATOM 0 HD22 LEU A 103 5.575 2.367 -1.031 1.00 1.97 H new ATOM 0 HD23 LEU A 103 7.233 2.369 -0.384 1.00 1.97 H new ATOM 1588 N GLN A 104 8.151 3.744 -4.782 1.00 1.24 N ATOM 1589 CA GLN A 104 8.052 3.150 -6.078 1.00 1.34 C ATOM 1590 C GLN A 104 9.385 2.538 -6.409 1.00 1.47 C ATOM 1591 O GLN A 104 9.430 1.445 -6.905 1.00 1.56 O ATOM 1592 CB GLN A 104 7.888 4.287 -7.059 1.00 1.39 C ATOM 1593 CG GLN A 104 6.699 4.543 -8.037 1.00 1.61 C ATOM 1594 CD GLN A 104 5.656 3.500 -8.541 1.00 1.68 C ATOM 1595 OE1 GLN A 104 5.616 3.263 -9.755 1.00 2.36 O ATOM 1596 NE2 GLN A 104 4.729 2.979 -7.715 1.00 1.75 N ATOM 0 H GLN A 104 7.935 4.741 -4.772 1.00 1.24 H new ATOM 0 HA GLN A 104 7.242 2.422 -6.114 1.00 1.34 H new ATOM 0 HB2 GLN A 104 7.964 5.194 -6.460 1.00 1.39 H new ATOM 0 HB3 GLN A 104 8.774 4.248 -7.692 1.00 1.39 H new ATOM 0 HG2 GLN A 104 6.113 5.339 -7.577 1.00 1.61 H new ATOM 0 HG3 GLN A 104 7.150 4.959 -8.938 1.00 1.61 H new ATOM 0 HE21 GLN A 104 4.767 3.178 -6.715 1.00 1.75 H new ATOM 0 HE22 GLN A 104 3.989 2.385 -8.089 1.00 1.75 H new ATOM 1605 N SER A 105 10.465 3.312 -6.160 1.00 1.52 N ATOM 1606 CA SER A 105 11.825 2.894 -6.494 1.00 1.66 C ATOM 1607 C SER A 105 12.201 1.624 -5.775 1.00 1.62 C ATOM 1608 O SER A 105 12.747 0.683 -6.349 1.00 1.72 O ATOM 1609 CB SER A 105 12.816 4.015 -6.157 1.00 1.74 C ATOM 1610 OG SER A 105 13.543 4.409 -7.309 1.00 1.97 O ATOM 0 H SER A 105 10.409 4.233 -5.726 1.00 1.52 H new ATOM 0 HA SER A 105 11.865 2.692 -7.564 1.00 1.66 H new ATOM 0 HB2 SER A 105 12.278 4.872 -5.751 1.00 1.74 H new ATOM 0 HB3 SER A 105 13.506 3.676 -5.384 1.00 1.74 H new ATOM 0 HG SER A 105 14.168 5.126 -7.072 1.00 1.97 H new ATOM 1616 N VAL A 106 11.880 1.625 -4.520 1.00 1.49 N ATOM 1617 CA VAL A 106 12.124 0.529 -3.641 1.00 1.45 C ATOM 1618 C VAL A 106 11.277 -0.688 -4.018 1.00 1.40 C ATOM 1619 O VAL A 106 11.760 -1.821 -4.044 1.00 1.45 O ATOM 1620 CB VAL A 106 11.779 1.035 -2.246 1.00 1.35 C ATOM 1621 CG1 VAL A 106 10.730 0.193 -1.577 1.00 1.90 C ATOM 1622 CG2 VAL A 106 13.002 1.081 -1.388 1.00 1.78 C ATOM 0 H VAL A 106 11.425 2.417 -4.065 1.00 1.49 H new ATOM 0 HA VAL A 106 13.160 0.196 -3.699 1.00 1.45 H new ATOM 0 HB VAL A 106 11.375 2.040 -2.367 1.00 1.35 H new ATOM 0 HG11 VAL A 106 10.519 0.594 -0.586 1.00 1.90 H new ATOM 0 HG12 VAL A 106 9.819 0.204 -2.175 1.00 1.90 H new ATOM 0 HG13 VAL A 106 11.090 -0.832 -1.484 1.00 1.90 H new ATOM 0 HG21 VAL A 106 12.737 1.445 -0.395 1.00 1.78 H new ATOM 0 HG22 VAL A 106 13.427 0.081 -1.306 1.00 1.78 H new ATOM 0 HG23 VAL A 106 13.736 1.751 -1.836 1.00 1.78 H new ATOM 1632 N PHE A 107 10.012 -0.431 -4.311 1.00 1.33 N ATOM 1633 CA PHE A 107 9.080 -1.474 -4.685 1.00 1.33 C ATOM 1634 C PHE A 107 9.524 -2.168 -5.955 1.00 1.49 C ATOM 1635 O PHE A 107 9.425 -3.379 -6.072 1.00 1.52 O ATOM 1636 CB PHE A 107 7.692 -0.881 -4.878 1.00 1.28 C ATOM 1637 CG PHE A 107 6.626 -1.844 -4.517 1.00 1.21 C ATOM 1638 CD1 PHE A 107 6.601 -2.391 -3.236 1.00 1.57 C ATOM 1639 CD2 PHE A 107 5.671 -2.230 -5.455 1.00 1.79 C ATOM 1640 CE1 PHE A 107 5.647 -3.303 -2.887 1.00 1.60 C ATOM 1641 CE2 PHE A 107 4.712 -3.153 -5.117 1.00 1.80 C ATOM 1642 CZ PHE A 107 4.700 -3.692 -3.823 1.00 1.25 C ATOM 0 H PHE A 107 9.607 0.505 -4.295 1.00 1.33 H new ATOM 0 HA PHE A 107 9.052 -2.212 -3.884 1.00 1.33 H new ATOM 0 HB2 PHE A 107 7.592 0.017 -4.268 1.00 1.28 H new ATOM 0 HB3 PHE A 107 7.569 -0.575 -5.917 1.00 1.28 H new ATOM 0 HD1 PHE A 107 7.344 -2.091 -2.512 1.00 1.57 H new ATOM 0 HD2 PHE A 107 5.685 -1.804 -6.447 1.00 1.79 H new ATOM 0 HE1 PHE A 107 5.630 -3.718 -1.890 1.00 1.60 H new ATOM 0 HE2 PHE A 107 3.973 -3.461 -5.842 1.00 1.80 H new ATOM 0 HZ PHE A 107 3.946 -4.417 -3.552 1.00 1.25 H new ATOM 1652 N THR A 108 10.026 -1.379 -6.884 1.00 1.63 N ATOM 1653 CA THR A 108 10.512 -1.868 -8.169 1.00 1.82 C ATOM 1654 C THR A 108 11.651 -2.843 -7.992 1.00 1.87 C ATOM 1655 O THR A 108 11.741 -3.870 -8.661 1.00 1.97 O ATOM 1656 CB THR A 108 11.077 -0.701 -8.963 1.00 1.97 C ATOM 1657 OG1 THR A 108 10.853 0.506 -8.299 1.00 1.86 O ATOM 1658 CG2 THR A 108 10.527 -0.570 -10.348 1.00 2.29 C ATOM 0 H THR A 108 10.111 -0.369 -6.772 1.00 1.63 H new ATOM 0 HA THR A 108 9.674 -2.351 -8.672 1.00 1.82 H new ATOM 0 HB THR A 108 12.141 -0.920 -9.048 1.00 1.97 H new ATOM 0 HG1 THR A 108 9.907 0.574 -8.054 1.00 1.86 H new ATOM 0 HG21 THR A 108 10.985 0.287 -10.842 1.00 2.29 H new ATOM 0 HG22 THR A 108 10.748 -1.475 -10.914 1.00 2.29 H new ATOM 0 HG23 THR A 108 9.448 -0.427 -10.299 1.00 2.29 H new ATOM 1666 N SER A 109 12.540 -2.460 -7.113 1.00 1.82 N ATOM 1667 CA SER A 109 13.724 -3.214 -6.825 1.00 1.89 C ATOM 1668 C SER A 109 13.390 -4.580 -6.240 1.00 1.83 C ATOM 1669 O SER A 109 13.992 -5.589 -6.601 1.00 1.92 O ATOM 1670 CB SER A 109 14.545 -2.383 -5.850 1.00 1.86 C ATOM 1671 OG SER A 109 15.587 -3.134 -5.258 1.00 2.22 O ATOM 0 H SER A 109 12.457 -1.601 -6.570 1.00 1.82 H new ATOM 0 HA SER A 109 14.285 -3.409 -7.739 1.00 1.89 H new ATOM 0 HB2 SER A 109 14.968 -1.525 -6.372 1.00 1.86 H new ATOM 0 HB3 SER A 109 13.893 -1.991 -5.070 1.00 1.86 H new ATOM 0 HG SER A 109 16.091 -2.564 -4.640 1.00 2.22 H new ATOM 1677 N VAL A 110 12.420 -4.598 -5.341 1.00 1.70 N ATOM 1678 CA VAL A 110 11.987 -5.837 -4.679 1.00 1.66 C ATOM 1679 C VAL A 110 11.360 -6.762 -5.662 1.00 1.76 C ATOM 1680 O VAL A 110 11.613 -7.955 -5.764 1.00 1.86 O ATOM 1681 CB VAL A 110 10.950 -5.513 -3.601 1.00 1.49 C ATOM 1682 CG1 VAL A 110 10.568 -6.779 -2.874 1.00 1.49 C ATOM 1683 CG2 VAL A 110 11.518 -4.468 -2.665 1.00 1.45 C ATOM 0 H VAL A 110 11.909 -3.767 -5.045 1.00 1.70 H new ATOM 0 HA VAL A 110 12.864 -6.309 -4.236 1.00 1.66 H new ATOM 0 HB VAL A 110 10.044 -5.105 -4.049 1.00 1.49 H new ATOM 0 HG11 VAL A 110 9.829 -6.549 -2.106 1.00 1.49 H new ATOM 0 HG12 VAL A 110 10.145 -7.492 -3.582 1.00 1.49 H new ATOM 0 HG13 VAL A 110 11.453 -7.212 -2.408 1.00 1.49 H new ATOM 0 HG21 VAL A 110 10.784 -4.232 -1.894 1.00 1.45 H new ATOM 0 HG22 VAL A 110 12.424 -4.852 -2.197 1.00 1.45 H new ATOM 0 HG23 VAL A 110 11.755 -3.565 -3.228 1.00 1.45 H new ATOM 1693 N ARG A 111 10.554 -6.122 -6.350 1.00 1.78 N ATOM 1694 CA ARG A 111 9.779 -6.606 -7.375 1.00 1.92 C ATOM 1695 C ARG A 111 10.577 -7.297 -8.490 1.00 2.11 C ATOM 1696 O ARG A 111 10.293 -8.430 -8.913 1.00 2.22 O ATOM 1697 CB ARG A 111 9.203 -5.266 -7.789 1.00 1.99 C ATOM 1698 CG ARG A 111 8.388 -5.332 -8.913 1.00 1.94 C ATOM 1699 CD ARG A 111 7.734 -6.527 -8.648 1.00 2.41 C ATOM 1700 NE ARG A 111 6.556 -6.469 -9.187 1.00 3.18 N ATOM 1701 CZ ARG A 111 6.185 -7.396 -9.917 1.00 3.82 C ATOM 1702 NH1 ARG A 111 6.957 -8.501 -10.097 1.00 3.85 N ATOM 1703 NH2 ARG A 111 5.048 -7.259 -10.447 1.00 4.82 N ATOM 0 H ARG A 111 10.399 -5.126 -6.194 1.00 1.78 H new ATOM 0 HA ARG A 111 9.072 -7.396 -7.121 1.00 1.92 H new ATOM 0 HB2 ARG A 111 8.629 -4.855 -6.959 1.00 1.99 H new ATOM 0 HB3 ARG A 111 10.022 -4.573 -7.985 1.00 1.99 H new ATOM 0 HG2 ARG A 111 7.704 -4.487 -8.985 1.00 1.94 H new ATOM 0 HG3 ARG A 111 8.957 -5.362 -9.842 1.00 1.94 H new ATOM 0 HD2 ARG A 111 8.297 -7.367 -9.054 1.00 2.41 H new ATOM 0 HD3 ARG A 111 7.653 -6.687 -7.573 1.00 2.41 H new ATOM 0 HE ARG A 111 5.945 -5.671 -9.012 1.00 3.18 H new ATOM 0 HH11 ARG A 111 7.859 -8.575 -9.626 1.00 3.85 H new ATOM 0 HH12 ARG A 111 6.634 -9.255 -10.703 1.00 3.85 H new ATOM 0 HH21 ARG A 111 4.497 -6.421 -10.262 1.00 4.82 H new ATOM 0 HH22 ARG A 111 4.680 -7.986 -11.061 1.00 4.82 H new ATOM 1717 N GLN A 112 11.575 -6.589 -8.926 1.00 2.16 N ATOM 1718 CA GLN A 112 12.473 -7.037 -9.961 1.00 2.37 C ATOM 1719 C GLN A 112 13.223 -8.207 -9.506 1.00 2.36 C ATOM 1720 O GLN A 112 13.418 -9.195 -10.222 1.00 2.53 O ATOM 1721 CB GLN A 112 13.458 -5.953 -10.239 1.00 2.46 C ATOM 1722 CG GLN A 112 13.321 -5.442 -11.627 1.00 2.59 C ATOM 1723 CD GLN A 112 13.827 -4.030 -11.741 1.00 2.76 C ATOM 1724 OE1 GLN A 112 15.021 -3.779 -11.587 1.00 3.19 O ATOM 1725 NE2 GLN A 112 12.909 -3.093 -11.975 1.00 2.85 N ATOM 0 H GLN A 112 11.797 -5.661 -8.567 1.00 2.16 H new ATOM 0 HA GLN A 112 11.893 -7.288 -10.849 1.00 2.37 H new ATOM 0 HB2 GLN A 112 13.312 -5.136 -9.532 1.00 2.46 H new ATOM 0 HB3 GLN A 112 14.469 -6.330 -10.086 1.00 2.46 H new ATOM 0 HG2 GLN A 112 13.875 -6.086 -12.310 1.00 2.59 H new ATOM 0 HG3 GLN A 112 12.275 -5.481 -11.930 1.00 2.59 H new ATOM 0 HE21 GLN A 112 11.931 -3.356 -12.095 1.00 2.85 H new ATOM 0 HE22 GLN A 112 13.184 -2.113 -12.034 1.00 2.85 H new ATOM 1734 N LYS A 113 13.637 -8.091 -8.297 1.00 2.22 N ATOM 1735 CA LYS A 113 14.336 -9.115 -7.737 1.00 2.26 C ATOM 1736 C LYS A 113 13.480 -10.288 -7.689 1.00 2.15 C ATOM 1737 O LYS A 113 13.729 -11.209 -8.362 1.00 2.31 O ATOM 1738 CB LYS A 113 14.665 -8.738 -6.370 1.00 2.20 C ATOM 1739 CG LYS A 113 16.029 -9.080 -6.082 1.00 2.63 C ATOM 1740 CD LYS A 113 16.143 -9.046 -4.647 1.00 2.73 C ATOM 1741 CE LYS A 113 17.240 -8.128 -4.336 1.00 3.16 C ATOM 1742 NZ LYS A 113 17.999 -8.719 -3.250 1.00 3.23 N ATOM 0 H LYS A 113 13.487 -7.279 -7.698 1.00 2.22 H new ATOM 0 HA LYS A 113 15.237 -9.325 -8.313 1.00 2.26 H new ATOM 0 HB2 LYS A 113 14.513 -7.667 -6.232 1.00 2.20 H new ATOM 0 HB3 LYS A 113 13.999 -9.247 -5.673 1.00 2.20 H new ATOM 0 HG2 LYS A 113 16.276 -10.068 -6.471 1.00 2.63 H new ATOM 0 HG3 LYS A 113 16.717 -8.373 -6.547 1.00 2.63 H new ATOM 0 HD2 LYS A 113 15.213 -8.706 -4.192 1.00 2.73 H new ATOM 0 HD3 LYS A 113 16.346 -10.041 -4.251 1.00 2.73 H new ATOM 0 HE2 LYS A 113 17.874 -7.976 -5.210 1.00 3.16 H new ATOM 0 HE3 LYS A 113 16.854 -7.150 -4.048 1.00 3.16 H new ATOM 0 HZ1 LYS A 113 18.791 -8.093 -2.999 1.00 3.23 H new ATOM 0 HZ2 LYS A 113 17.381 -8.844 -2.423 1.00 3.23 H new ATOM 0 HZ3 LYS A 113 18.370 -9.644 -3.548 1.00 3.23 H new ATOM 1756 N ILE A 114 12.403 -10.169 -6.972 1.00 1.91 N ATOM 1757 CA ILE A 114 11.457 -11.245 -6.801 1.00 1.87 C ATOM 1758 C ILE A 114 11.112 -11.927 -8.087 1.00 2.09 C ATOM 1759 O ILE A 114 10.889 -13.113 -8.123 1.00 2.17 O ATOM 1760 CB ILE A 114 10.211 -10.686 -6.131 1.00 1.73 C ATOM 1761 CG1 ILE A 114 9.592 -11.554 -5.081 1.00 1.97 C ATOM 1762 CG2 ILE A 114 9.076 -10.650 -7.086 1.00 2.06 C ATOM 1763 CD1 ILE A 114 10.054 -11.503 -3.656 1.00 1.90 C ATOM 0 H ILE A 114 12.148 -9.313 -6.480 1.00 1.91 H new ATOM 0 HA ILE A 114 11.916 -12.010 -6.175 1.00 1.87 H new ATOM 0 HB ILE A 114 10.580 -9.738 -5.739 1.00 1.73 H new ATOM 0 HG12 ILE A 114 8.524 -11.335 -5.077 1.00 1.97 H new ATOM 0 HG13 ILE A 114 9.705 -12.586 -5.415 1.00 1.97 H new ATOM 0 HG21 ILE A 114 8.194 -10.247 -6.588 1.00 2.06 H new ATOM 0 HG22 ILE A 114 9.335 -10.017 -7.935 1.00 2.06 H new ATOM 0 HG23 ILE A 114 8.864 -11.660 -7.438 1.00 2.06 H new ATOM 0 HD11 ILE A 114 9.476 -12.210 -3.061 1.00 1.90 H new ATOM 0 HD12 ILE A 114 11.111 -11.766 -3.606 1.00 1.90 H new ATOM 0 HD13 ILE A 114 9.912 -10.496 -3.263 1.00 1.90 H new ATOM 1775 N GLU A 115 11.050 -11.189 -9.123 1.00 2.24 N ATOM 1776 CA GLU A 115 10.740 -11.743 -10.395 1.00 2.54 C ATOM 1777 C GLU A 115 11.797 -12.502 -10.945 1.00 2.72 C ATOM 1778 O GLU A 115 11.597 -13.596 -11.496 1.00 2.93 O ATOM 1779 CB GLU A 115 10.467 -10.716 -11.302 1.00 2.75 C ATOM 1780 CG GLU A 115 9.063 -10.907 -11.599 1.00 3.06 C ATOM 1781 CD GLU A 115 8.674 -10.466 -12.957 1.00 3.40 C ATOM 1782 OE1 GLU A 115 9.419 -10.761 -13.918 1.00 3.78 O ATOM 1783 OE2 GLU A 115 7.613 -9.841 -13.072 1.00 3.75 O ATOM 0 H GLU A 115 11.211 -10.182 -9.123 1.00 2.24 H new ATOM 0 HA GLU A 115 9.882 -12.397 -10.235 1.00 2.54 H new ATOM 0 HB2 GLU A 115 10.658 -9.734 -10.869 1.00 2.75 H new ATOM 0 HB3 GLU A 115 11.083 -10.794 -12.198 1.00 2.75 H new ATOM 0 HG2 GLU A 115 8.818 -11.963 -11.486 1.00 3.06 H new ATOM 0 HG3 GLU A 115 8.469 -10.362 -10.866 1.00 3.06 H new