USER MOD reduce.3.24.130724 H: found=0, std=0, add=1037, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 1034 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 91 GLN : amide:sc= -0.162 K(o=-0.16,f=-2.6!) USER MOD Set 1.2: A 94 LYS NZ :NH3+ 149:sc=-0.00288 (180deg=-0.597) USER MOD Set 2.1: A 12 GLN : amide:sc= -0.764 K(o=-1.3,f=-2.6) USER MOD Set 2.2: A 32 GLN :FLIP amide:sc= -0.499 F(o=-5.4,f=-1.3) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 3 ASN : amide:sc= -1.87! C(o=-1.9!,f=-8!) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= -6.69! C(o=-6.7!,f=-11!) USER MOD Single : A 24 ASN : amide:sc= -0.0307 X(o=-0.031,f=-0.035) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 TYR OH : rot 35:sc= 0.828 USER MOD Single : A 29 GLN : amide:sc= -0.0184 X(o=-0.018,f=0.27) USER MOD Single : A 30 THR OG1 : rot -161:sc= -1.57! USER MOD Single : A 35 ASN : amide:sc= -0.904 K(o=-0.9,f=-3.2!) USER MOD Single : A 38 GLN : amide:sc= -0.0154 X(o=-0.015,f=-0.14) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 MET CE :methyl 144:sc= -12.6! (180deg=-16.4!) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 MET CE :methyl -177:sc= -3.55! (180deg=-3.99!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= -0.206 K(o=-0.21,f=-2.5!) USER MOD Single : A 81 MET CE :methyl 173:sc= -12.3! (180deg=-12.9!) USER MOD Single : A 82 THR OG1 : rot -161:sc= 0.0742 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 MET CE :methyl -150:sc= -5.12! (180deg=-5.62!) USER MOD Single : A 93 SER OG : rot -28:sc= -1.53 USER MOD Single : A 100 THR OG1 : rot 180:sc= -0.483 USER MOD Single : A 101 HIS :FLIP no HD1:sc= -4.75! C(o=-6!,f=-4.7!) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 LYS NZ :NH3+ -157:sc= -0.0213 (180deg=-0.809) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 TYR OH : rot -112:sc= -2.21! USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 SER OG : rot 23:sc= 0.282! USER MOD Single : A 124 ASN : amide:sc= -0.205 X(o=-0.21,f=-0.11) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -9.233 -14.106 18.082 1.00 0.00 N ATOM 2 CA MET A 1 -9.814 -12.794 18.311 1.00 0.00 C ATOM 3 C MET A 1 -9.254 -11.766 17.326 1.00 0.00 C ATOM 4 O MET A 1 -8.305 -11.051 17.642 1.00 0.00 O ATOM 5 CB MET A 1 -9.512 -12.345 19.743 1.00 0.00 C ATOM 6 CG MET A 1 -10.483 -12.990 20.735 1.00 0.00 C ATOM 7 SD MET A 1 -10.179 -12.365 22.379 1.00 0.00 S ATOM 8 CE MET A 1 -11.036 -13.599 23.343 1.00 0.00 C ATOM 0 H1 MET A 1 -9.629 -14.785 18.763 1.00 0.00 H new ATOM 0 H2 MET A 1 -9.452 -14.418 17.114 1.00 0.00 H new ATOM 0 H3 MET A 1 -8.201 -14.055 18.205 1.00 0.00 H new ATOM 0 HA MET A 1 -10.891 -12.864 18.161 1.00 0.00 H new ATOM 0 HB2 MET A 1 -8.488 -12.613 20.004 1.00 0.00 H new ATOM 0 HB3 MET A 1 -9.585 -11.260 19.811 1.00 0.00 H new ATOM 0 HG2 MET A 1 -11.511 -12.778 20.441 1.00 0.00 H new ATOM 0 HG3 MET A 1 -10.364 -14.073 20.721 1.00 0.00 H new ATOM 0 HE1 MET A 1 -10.946 -13.360 24.403 1.00 0.00 H new ATOM 0 HE2 MET A 1 -12.089 -13.613 23.062 1.00 0.00 H new ATOM 0 HE3 MET A 1 -10.597 -14.578 23.153 1.00 0.00 H new ATOM 18 N MET A 2 -9.866 -11.726 16.151 1.00 0.00 N ATOM 19 CA MET A 2 -9.441 -10.797 15.117 1.00 0.00 C ATOM 20 C MET A 2 -7.947 -10.951 14.823 1.00 0.00 C ATOM 21 O MET A 2 -7.230 -11.622 15.565 1.00 0.00 O ATOM 22 CB MET A 2 -9.728 -9.364 15.569 1.00 0.00 C ATOM 23 CG MET A 2 -11.224 -9.054 15.490 1.00 0.00 C ATOM 24 SD MET A 2 -11.702 -8.777 13.792 1.00 0.00 S ATOM 25 CE MET A 2 -13.457 -8.531 14.001 1.00 0.00 C ATOM 0 H MET A 2 -10.652 -12.322 15.892 1.00 0.00 H new ATOM 0 HA MET A 2 -9.996 -11.017 14.205 1.00 0.00 H new ATOM 0 HB2 MET A 2 -9.377 -9.224 16.592 1.00 0.00 H new ATOM 0 HB3 MET A 2 -9.174 -8.664 14.944 1.00 0.00 H new ATOM 0 HG2 MET A 2 -11.798 -9.881 15.907 1.00 0.00 H new ATOM 0 HG3 MET A 2 -11.453 -8.173 16.089 1.00 0.00 H new ATOM 0 HE1 MET A 2 -13.916 -8.344 13.030 1.00 0.00 H new ATOM 0 HE2 MET A 2 -13.899 -9.423 14.446 1.00 0.00 H new ATOM 0 HE3 MET A 2 -13.629 -7.676 14.655 1.00 0.00 H new ATOM 35 N ASN A 3 -7.522 -10.318 13.740 1.00 0.00 N ATOM 36 CA ASN A 3 -6.126 -10.376 13.339 1.00 0.00 C ATOM 37 C ASN A 3 -5.977 -9.775 11.939 1.00 0.00 C ATOM 38 O ASN A 3 -6.797 -10.033 11.059 1.00 0.00 O ATOM 39 CB ASN A 3 -5.627 -11.822 13.288 1.00 0.00 C ATOM 40 CG ASN A 3 -6.600 -12.710 12.510 1.00 0.00 C ATOM 41 OD1 ASN A 3 -7.799 -12.491 12.487 1.00 0.00 O ATOM 42 ND2 ASN A 3 -6.017 -13.724 11.876 1.00 0.00 N ATOM 0 H ASN A 3 -8.119 -9.762 13.128 1.00 0.00 H new ATOM 0 HA ASN A 3 -5.541 -9.818 14.071 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -4.644 -11.855 12.818 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -5.509 -12.206 14.301 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -6.580 -14.375 11.329 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -5.007 -13.850 11.937 1.00 0.00 H new ATOM 49 N GLU A 4 -4.925 -8.986 11.778 1.00 0.00 N ATOM 50 CA GLU A 4 -4.658 -8.347 10.501 1.00 0.00 C ATOM 51 C GLU A 4 -3.340 -7.573 10.561 1.00 0.00 C ATOM 52 O GLU A 4 -2.921 -7.133 11.631 1.00 0.00 O ATOM 53 CB GLU A 4 -5.814 -7.431 10.094 1.00 0.00 C ATOM 54 CG GLU A 4 -6.360 -7.816 8.718 1.00 0.00 C ATOM 55 CD GLU A 4 -7.885 -7.696 8.680 1.00 0.00 C ATOM 56 OE1 GLU A 4 -8.371 -6.565 8.898 1.00 0.00 O ATOM 57 OE2 GLU A 4 -8.530 -8.738 8.435 1.00 0.00 O ATOM 0 H GLU A 4 -4.248 -8.775 12.511 1.00 0.00 H new ATOM 0 HA GLU A 4 -4.567 -9.122 9.740 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -6.610 -7.493 10.836 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -5.474 -6.396 10.078 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -5.922 -7.172 7.956 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -6.066 -8.838 8.479 1.00 0.00 H new ATOM 64 N LYS A 5 -2.722 -7.429 9.398 1.00 0.00 N ATOM 65 CA LYS A 5 -1.459 -6.715 9.304 1.00 0.00 C ATOM 66 C LYS A 5 -1.467 -5.837 8.051 1.00 0.00 C ATOM 67 O LYS A 5 -2.080 -6.190 7.045 1.00 0.00 O ATOM 68 CB LYS A 5 -0.285 -7.694 9.362 1.00 0.00 C ATOM 69 CG LYS A 5 -0.079 -8.220 10.784 1.00 0.00 C ATOM 70 CD LYS A 5 0.198 -9.725 10.777 1.00 0.00 C ATOM 71 CE LYS A 5 1.660 -10.015 11.120 1.00 0.00 C ATOM 72 NZ LYS A 5 1.750 -10.871 12.324 1.00 0.00 N ATOM 0 H LYS A 5 -3.072 -7.795 8.512 1.00 0.00 H new ATOM 0 HA LYS A 5 -1.332 -6.050 10.159 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -0.469 -8.528 8.685 1.00 0.00 H new ATOM 0 HB3 LYS A 5 0.623 -7.199 9.018 1.00 0.00 H new ATOM 0 HG2 LYS A 5 0.754 -7.695 11.253 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -0.965 -8.012 11.384 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -0.453 -10.222 11.496 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -0.038 -10.137 9.796 1.00 0.00 H new ATOM 0 HE2 LYS A 5 2.146 -10.509 10.278 1.00 0.00 H new ATOM 0 HE3 LYS A 5 2.192 -9.079 11.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 2.749 -11.058 12.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 1.304 -10.386 13.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 1.260 -11.771 12.147 1.00 0.00 H new ATOM 86 N ILE A 6 -0.778 -4.710 8.153 1.00 0.00 N ATOM 87 CA ILE A 6 -0.697 -3.779 7.041 1.00 0.00 C ATOM 88 C ILE A 6 0.620 -3.005 7.124 1.00 0.00 C ATOM 89 O ILE A 6 1.153 -2.794 8.212 1.00 0.00 O ATOM 90 CB ILE A 6 -1.936 -2.881 7.003 1.00 0.00 C ATOM 91 CG1 ILE A 6 -2.851 -3.260 5.837 1.00 0.00 C ATOM 92 CG2 ILE A 6 -1.542 -1.404 6.966 1.00 0.00 C ATOM 93 CD1 ILE A 6 -4.170 -3.847 6.343 1.00 0.00 C ATOM 0 H ILE A 6 -0.271 -4.421 8.989 1.00 0.00 H new ATOM 0 HA ILE A 6 -0.692 -4.317 6.093 1.00 0.00 H new ATOM 0 HB ILE A 6 -2.502 -3.040 7.921 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -3.051 -2.380 5.226 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -2.348 -3.985 5.196 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -2.441 -0.788 6.939 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -0.961 -1.160 7.855 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -0.943 -1.210 6.077 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -4.802 -4.108 5.494 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -3.968 -4.741 6.933 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -4.682 -3.111 6.963 1.00 0.00 H new ATOM 105 N LEU A 7 1.108 -2.603 5.959 1.00 0.00 N ATOM 106 CA LEU A 7 2.353 -1.858 5.886 1.00 0.00 C ATOM 107 C LEU A 7 2.099 -0.515 5.197 1.00 0.00 C ATOM 108 O LEU A 7 1.285 -0.429 4.279 1.00 0.00 O ATOM 109 CB LEU A 7 3.441 -2.697 5.215 1.00 0.00 C ATOM 110 CG LEU A 7 4.820 -2.661 5.877 1.00 0.00 C ATOM 111 CD1 LEU A 7 4.930 -3.724 6.972 1.00 0.00 C ATOM 112 CD2 LEU A 7 5.933 -2.794 4.835 1.00 0.00 C ATOM 0 H LEU A 7 0.663 -2.779 5.058 1.00 0.00 H new ATOM 0 HA LEU A 7 2.725 -1.638 6.887 1.00 0.00 H new ATOM 0 HB2 LEU A 7 3.104 -3.733 5.180 1.00 0.00 H new ATOM 0 HB3 LEU A 7 3.546 -2.361 4.183 1.00 0.00 H new ATOM 0 HG LEU A 7 4.943 -1.690 6.357 1.00 0.00 H new ATOM 0 HD11 LEU A 7 5.920 -3.677 7.426 1.00 0.00 H new ATOM 0 HD12 LEU A 7 4.172 -3.542 7.734 1.00 0.00 H new ATOM 0 HD13 LEU A 7 4.777 -4.712 6.537 1.00 0.00 H new ATOM 0 HD21 LEU A 7 6.902 -2.765 5.332 1.00 0.00 H new ATOM 0 HD22 LEU A 7 5.825 -3.741 4.306 1.00 0.00 H new ATOM 0 HD23 LEU A 7 5.866 -1.971 4.124 1.00 0.00 H new ATOM 124 N ILE A 8 2.810 0.499 5.667 1.00 0.00 N ATOM 125 CA ILE A 8 2.672 1.833 5.108 1.00 0.00 C ATOM 126 C ILE A 8 4.053 2.363 4.717 1.00 0.00 C ATOM 127 O ILE A 8 4.881 2.644 5.582 1.00 0.00 O ATOM 128 CB ILE A 8 1.914 2.744 6.076 1.00 0.00 C ATOM 129 CG1 ILE A 8 0.459 2.295 6.226 1.00 0.00 C ATOM 130 CG2 ILE A 8 2.021 4.209 5.647 1.00 0.00 C ATOM 131 CD1 ILE A 8 -0.095 2.681 7.599 1.00 0.00 C ATOM 0 H ILE A 8 3.484 0.424 6.429 1.00 0.00 H new ATOM 0 HA ILE A 8 2.072 1.805 4.198 1.00 0.00 H new ATOM 0 HB ILE A 8 2.379 2.661 7.058 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -0.148 2.750 5.444 1.00 0.00 H new ATOM 0 HG13 ILE A 8 0.392 1.215 6.093 1.00 0.00 H new ATOM 0 HG21 ILE A 8 1.474 4.835 6.352 1.00 0.00 H new ATOM 0 HG22 ILE A 8 3.069 4.508 5.633 1.00 0.00 H new ATOM 0 HG23 ILE A 8 1.597 4.328 4.650 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -1.131 2.350 7.680 1.00 0.00 H new ATOM 0 HD12 ILE A 8 0.500 2.205 8.378 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -0.049 3.763 7.719 1.00 0.00 H new ATOM 143 N VAL A 9 4.258 2.484 3.414 1.00 0.00 N ATOM 144 CA VAL A 9 5.524 2.975 2.898 1.00 0.00 C ATOM 145 C VAL A 9 5.296 4.310 2.185 1.00 0.00 C ATOM 146 O VAL A 9 4.356 4.448 1.405 1.00 0.00 O ATOM 147 CB VAL A 9 6.168 1.919 1.998 1.00 0.00 C ATOM 148 CG1 VAL A 9 7.633 2.260 1.714 1.00 0.00 C ATOM 149 CG2 VAL A 9 6.039 0.523 2.611 1.00 0.00 C ATOM 0 H VAL A 9 3.568 2.250 2.700 1.00 0.00 H new ATOM 0 HA VAL A 9 6.224 3.157 3.714 1.00 0.00 H new ATOM 0 HB VAL A 9 5.634 1.918 1.048 1.00 0.00 H new ATOM 0 HG11 VAL A 9 8.067 1.493 1.072 1.00 0.00 H new ATOM 0 HG12 VAL A 9 7.691 3.227 1.215 1.00 0.00 H new ATOM 0 HG13 VAL A 9 8.185 2.303 2.653 1.00 0.00 H new ATOM 0 HG21 VAL A 9 6.505 -0.209 1.951 1.00 0.00 H new ATOM 0 HG22 VAL A 9 6.535 0.504 3.581 1.00 0.00 H new ATOM 0 HG23 VAL A 9 4.985 0.277 2.738 1.00 0.00 H new ATOM 159 N ASP A 10 6.173 5.259 2.479 1.00 0.00 N ATOM 160 CA ASP A 10 6.080 6.577 1.876 1.00 0.00 C ATOM 161 C ASP A 10 4.628 7.058 1.935 1.00 0.00 C ATOM 162 O ASP A 10 3.784 6.418 2.560 1.00 0.00 O ATOM 163 CB ASP A 10 6.507 6.543 0.407 1.00 0.00 C ATOM 164 CG ASP A 10 7.889 5.941 0.150 1.00 0.00 C ATOM 165 OD1 ASP A 10 8.864 6.504 0.695 1.00 0.00 O ATOM 166 OD2 ASP A 10 7.941 4.932 -0.586 1.00 0.00 O ATOM 0 H ASP A 10 6.952 5.141 3.127 1.00 0.00 H new ATOM 0 HA ASP A 10 6.739 7.247 2.427 1.00 0.00 H new ATOM 0 HB2 ASP A 10 5.768 5.974 -0.157 1.00 0.00 H new ATOM 0 HB3 ASP A 10 6.492 7.560 0.016 1.00 0.00 H new ATOM 171 N ASP A 11 4.383 8.182 1.277 1.00 0.00 N ATOM 172 CA ASP A 11 3.049 8.756 1.247 1.00 0.00 C ATOM 173 C ASP A 11 2.680 9.251 2.647 1.00 0.00 C ATOM 174 O ASP A 11 1.535 9.626 2.895 1.00 0.00 O ATOM 175 CB ASP A 11 2.011 7.714 0.825 1.00 0.00 C ATOM 176 CG ASP A 11 0.678 8.290 0.340 1.00 0.00 C ATOM 177 OD1 ASP A 11 0.670 8.832 -0.786 1.00 0.00 O ATOM 178 OD2 ASP A 11 -0.302 8.174 1.107 1.00 0.00 O ATOM 0 H ASP A 11 5.086 8.710 0.761 1.00 0.00 H new ATOM 0 HA ASP A 11 3.050 9.576 0.528 1.00 0.00 H new ATOM 0 HB2 ASP A 11 2.436 7.101 0.030 1.00 0.00 H new ATOM 0 HB3 ASP A 11 1.818 7.052 1.669 1.00 0.00 H new ATOM 183 N GLN A 12 3.671 9.235 3.526 1.00 0.00 N ATOM 184 CA GLN A 12 3.465 9.677 4.895 1.00 0.00 C ATOM 185 C GLN A 12 3.538 11.203 4.976 1.00 0.00 C ATOM 186 O GLN A 12 4.593 11.791 4.744 1.00 0.00 O ATOM 187 CB GLN A 12 4.479 9.029 5.839 1.00 0.00 C ATOM 188 CG GLN A 12 5.872 8.995 5.208 1.00 0.00 C ATOM 189 CD GLN A 12 6.961 9.107 6.278 1.00 0.00 C ATOM 190 OE1 GLN A 12 7.804 8.239 6.435 1.00 0.00 O ATOM 191 NE2 GLN A 12 6.896 10.221 7.001 1.00 0.00 N ATOM 0 H GLN A 12 4.619 8.923 3.317 1.00 0.00 H new ATOM 0 HA GLN A 12 2.471 9.362 5.212 1.00 0.00 H new ATOM 0 HB2 GLN A 12 4.514 9.584 6.777 1.00 0.00 H new ATOM 0 HB3 GLN A 12 4.160 8.015 6.080 1.00 0.00 H new ATOM 0 HG2 GLN A 12 6.000 8.068 4.650 1.00 0.00 H new ATOM 0 HG3 GLN A 12 5.972 9.813 4.495 1.00 0.00 H new ATOM 0 HE21 GLN A 12 6.164 10.907 6.817 1.00 0.00 H new ATOM 0 HE22 GLN A 12 7.578 10.390 7.740 1.00 0.00 H new ATOM 200 N TYR A 13 2.402 11.801 5.306 1.00 0.00 N ATOM 201 CA TYR A 13 2.324 13.248 5.421 1.00 0.00 C ATOM 202 C TYR A 13 1.056 13.671 6.165 1.00 0.00 C ATOM 203 O TYR A 13 0.538 14.764 5.943 1.00 0.00 O ATOM 204 CB TYR A 13 2.263 13.782 3.989 1.00 0.00 C ATOM 205 CG TYR A 13 3.303 14.861 3.682 1.00 0.00 C ATOM 206 CD1 TYR A 13 4.569 14.502 3.267 1.00 0.00 C ATOM 207 CD2 TYR A 13 2.975 16.194 3.820 1.00 0.00 C ATOM 208 CE1 TYR A 13 5.548 15.518 2.978 1.00 0.00 C ATOM 209 CE2 TYR A 13 3.953 17.211 3.531 1.00 0.00 C ATOM 210 CZ TYR A 13 5.192 16.822 3.125 1.00 0.00 C ATOM 211 OH TYR A 13 6.116 17.782 2.852 1.00 0.00 O ATOM 0 H TYR A 13 1.529 11.310 5.497 1.00 0.00 H new ATOM 0 HA TYR A 13 3.179 13.636 5.976 1.00 0.00 H new ATOM 0 HB2 TYR A 13 2.401 12.952 3.296 1.00 0.00 H new ATOM 0 HB3 TYR A 13 1.268 14.188 3.806 1.00 0.00 H new ATOM 0 HD1 TYR A 13 4.826 13.459 3.159 1.00 0.00 H new ATOM 0 HD2 TYR A 13 1.984 16.475 4.145 1.00 0.00 H new ATOM 0 HE1 TYR A 13 6.542 15.250 2.652 1.00 0.00 H new ATOM 0 HE2 TYR A 13 3.709 18.258 3.634 1.00 0.00 H new ATOM 0 HH TYR A 13 5.722 18.667 3.000 1.00 0.00 H new ATOM 221 N GLY A 14 0.593 12.783 7.032 1.00 0.00 N ATOM 222 CA GLY A 14 -0.605 13.051 7.810 1.00 0.00 C ATOM 223 C GLY A 14 -1.775 12.192 7.327 1.00 0.00 C ATOM 224 O GLY A 14 -2.838 12.180 7.947 1.00 0.00 O ATOM 0 H GLY A 14 1.026 11.877 7.213 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -0.412 12.849 8.864 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -0.866 14.106 7.730 1.00 0.00 H new ATOM 228 N ILE A 15 -1.542 11.495 6.225 1.00 0.00 N ATOM 229 CA ILE A 15 -2.564 10.636 5.652 1.00 0.00 C ATOM 230 C ILE A 15 -2.403 9.219 6.207 1.00 0.00 C ATOM 231 O ILE A 15 -3.391 8.536 6.470 1.00 0.00 O ATOM 232 CB ILE A 15 -2.527 10.705 4.124 1.00 0.00 C ATOM 233 CG1 ILE A 15 -3.156 12.006 3.619 1.00 0.00 C ATOM 234 CG2 ILE A 15 -3.185 9.471 3.503 1.00 0.00 C ATOM 235 CD1 ILE A 15 -2.113 12.890 2.934 1.00 0.00 C ATOM 0 H ILE A 15 -0.660 11.508 5.713 1.00 0.00 H new ATOM 0 HA ILE A 15 -3.557 10.981 5.940 1.00 0.00 H new ATOM 0 HB ILE A 15 -1.484 10.707 3.807 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -3.960 11.778 2.919 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -3.603 12.546 4.454 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -3.145 9.545 2.416 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -2.654 8.575 3.825 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -4.225 9.412 3.825 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -2.587 13.808 2.585 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -1.323 13.137 3.643 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -1.685 12.357 2.085 1.00 0.00 H new ATOM 247 N ARG A 16 -1.150 8.820 6.369 1.00 0.00 N ATOM 248 CA ARG A 16 -0.847 7.497 6.888 1.00 0.00 C ATOM 249 C ARG A 16 -1.587 7.262 8.206 1.00 0.00 C ATOM 250 O ARG A 16 -2.053 6.155 8.472 1.00 0.00 O ATOM 251 CB ARG A 16 0.656 7.326 7.117 1.00 0.00 C ATOM 252 CG ARG A 16 1.269 8.599 7.704 1.00 0.00 C ATOM 253 CD ARG A 16 2.525 8.278 8.518 1.00 0.00 C ATOM 254 NE ARG A 16 2.231 8.386 9.965 1.00 0.00 N ATOM 255 CZ ARG A 16 2.367 9.514 10.676 1.00 0.00 C ATOM 256 NH1 ARG A 16 2.793 10.635 10.080 1.00 0.00 N ATOM 257 NH2 ARG A 16 2.078 9.519 11.985 1.00 0.00 N ATOM 0 H ARG A 16 -0.333 9.390 6.150 1.00 0.00 H new ATOM 0 HA ARG A 16 -1.175 6.767 6.148 1.00 0.00 H new ATOM 0 HB2 ARG A 16 0.832 6.489 7.792 1.00 0.00 H new ATOM 0 HB3 ARG A 16 1.146 7.083 6.174 1.00 0.00 H new ATOM 0 HG2 ARG A 16 1.520 9.291 6.900 1.00 0.00 H new ATOM 0 HG3 ARG A 16 0.538 9.100 8.339 1.00 0.00 H new ATOM 0 HD2 ARG A 16 2.873 7.272 8.283 1.00 0.00 H new ATOM 0 HD3 ARG A 16 3.328 8.964 8.249 1.00 0.00 H new ATOM 0 HE ARG A 16 1.905 7.550 10.451 1.00 0.00 H new ATOM 0 HH11 ARG A 16 3.014 10.631 9.084 1.00 0.00 H new ATOM 0 HH12 ARG A 16 2.896 11.493 10.622 1.00 0.00 H new ATOM 0 HH21 ARG A 16 1.755 8.665 12.439 1.00 0.00 H new ATOM 0 HH22 ARG A 16 2.181 10.377 12.527 1.00 0.00 H new ATOM 271 N ILE A 17 -1.672 8.322 8.997 1.00 0.00 N ATOM 272 CA ILE A 17 -2.347 8.244 10.281 1.00 0.00 C ATOM 273 C ILE A 17 -3.836 7.973 10.055 1.00 0.00 C ATOM 274 O ILE A 17 -4.418 7.105 10.703 1.00 0.00 O ATOM 275 CB ILE A 17 -2.070 9.501 11.109 1.00 0.00 C ATOM 276 CG1 ILE A 17 -0.572 9.663 11.375 1.00 0.00 C ATOM 277 CG2 ILE A 17 -2.885 9.496 12.404 1.00 0.00 C ATOM 278 CD1 ILE A 17 -0.182 11.142 11.429 1.00 0.00 C ATOM 0 H ILE A 17 -1.285 9.239 8.773 1.00 0.00 H new ATOM 0 HA ILE A 17 -1.956 7.411 10.866 1.00 0.00 H new ATOM 0 HB ILE A 17 -2.390 10.368 10.531 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -0.312 9.180 12.317 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -0.003 9.162 10.592 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -2.669 10.400 12.973 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -3.948 9.463 12.165 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -2.619 8.621 12.998 1.00 0.00 H new ATOM 0 HD11 ILE A 17 0.888 11.229 11.619 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -0.421 11.616 10.477 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -0.734 11.635 12.229 1.00 0.00 H new ATOM 290 N LEU A 18 -4.409 8.731 9.131 1.00 0.00 N ATOM 291 CA LEU A 18 -5.818 8.584 8.811 1.00 0.00 C ATOM 292 C LEU A 18 -6.148 7.098 8.653 1.00 0.00 C ATOM 293 O LEU A 18 -7.044 6.583 9.321 1.00 0.00 O ATOM 294 CB LEU A 18 -6.181 9.427 7.587 1.00 0.00 C ATOM 295 CG LEU A 18 -7.647 9.849 7.474 1.00 0.00 C ATOM 296 CD1 LEU A 18 -7.769 11.254 6.880 1.00 0.00 C ATOM 297 CD2 LEU A 18 -8.454 8.820 6.680 1.00 0.00 C ATOM 0 H LEU A 18 -3.922 9.449 8.594 1.00 0.00 H new ATOM 0 HA LEU A 18 -6.435 8.964 9.625 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -5.564 10.326 7.594 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -5.915 8.865 6.692 1.00 0.00 H new ATOM 0 HG LEU A 18 -8.070 9.886 8.478 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -8.821 11.530 6.811 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -7.249 11.966 7.521 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -7.324 11.268 5.885 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -9.493 9.144 6.615 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -8.039 8.728 5.676 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -8.406 7.854 7.183 1.00 0.00 H new ATOM 309 N LEU A 19 -5.406 6.451 7.767 1.00 0.00 N ATOM 310 CA LEU A 19 -5.608 5.034 7.513 1.00 0.00 C ATOM 311 C LEU A 19 -5.045 4.225 8.683 1.00 0.00 C ATOM 312 O LEU A 19 -5.393 3.059 8.861 1.00 0.00 O ATOM 313 CB LEU A 19 -5.020 4.644 6.156 1.00 0.00 C ATOM 314 CG LEU A 19 -3.495 4.553 6.087 1.00 0.00 C ATOM 315 CD1 LEU A 19 -3.041 3.110 5.856 1.00 0.00 C ATOM 316 CD2 LEU A 19 -2.936 5.506 5.029 1.00 0.00 C ATOM 0 H LEU A 19 -4.664 6.881 7.216 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.672 4.806 7.451 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -5.435 3.679 5.866 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.355 5.370 5.415 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.091 4.867 7.049 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -1.953 3.074 5.811 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -3.391 2.483 6.676 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.455 2.744 4.917 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -1.850 5.421 5.001 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -3.346 5.247 4.053 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.214 6.530 5.279 1.00 0.00 H new ATOM 328 N ASN A 20 -4.183 4.877 9.451 1.00 0.00 N ATOM 329 CA ASN A 20 -3.568 4.233 10.599 1.00 0.00 C ATOM 330 C ASN A 20 -4.635 3.971 11.664 1.00 0.00 C ATOM 331 O ASN A 20 -4.887 2.823 12.027 1.00 0.00 O ATOM 332 CB ASN A 20 -2.490 5.124 11.218 1.00 0.00 C ATOM 333 CG ASN A 20 -1.687 4.360 12.273 1.00 0.00 C ATOM 334 OD1 ASN A 20 -1.967 3.218 12.598 1.00 0.00 O ATOM 335 ND2 ASN A 20 -0.674 5.052 12.788 1.00 0.00 N ATOM 0 H ASN A 20 -3.896 5.844 9.300 1.00 0.00 H new ATOM 0 HA ASN A 20 -3.115 3.301 10.260 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -1.820 5.486 10.438 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -2.954 6.000 11.672 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -0.077 4.630 13.499 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -0.494 6.005 12.471 1.00 0.00 H new ATOM 342 N GLU A 21 -5.233 5.056 12.135 1.00 0.00 N ATOM 343 CA GLU A 21 -6.267 4.958 13.151 1.00 0.00 C ATOM 344 C GLU A 21 -7.336 3.950 12.726 1.00 0.00 C ATOM 345 O GLU A 21 -8.080 3.438 13.561 1.00 0.00 O ATOM 346 CB GLU A 21 -6.888 6.327 13.436 1.00 0.00 C ATOM 347 CG GLU A 21 -8.040 6.211 14.436 1.00 0.00 C ATOM 348 CD GLU A 21 -8.408 7.580 15.010 1.00 0.00 C ATOM 349 OE1 GLU A 21 -8.530 8.522 14.197 1.00 0.00 O ATOM 350 OE2 GLU A 21 -8.561 7.654 16.248 1.00 0.00 O ATOM 0 H GLU A 21 -5.021 6.007 11.832 1.00 0.00 H new ATOM 0 HA GLU A 21 -5.808 4.604 14.074 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -6.127 7.000 13.830 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -7.252 6.766 12.507 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -8.909 5.773 13.945 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -7.757 5.538 15.245 1.00 0.00 H new ATOM 357 N VAL A 22 -7.380 3.695 11.426 1.00 0.00 N ATOM 358 CA VAL A 22 -8.346 2.757 10.880 1.00 0.00 C ATOM 359 C VAL A 22 -7.937 1.332 11.257 1.00 0.00 C ATOM 360 O VAL A 22 -8.664 0.641 11.969 1.00 0.00 O ATOM 361 CB VAL A 22 -8.476 2.961 9.369 1.00 0.00 C ATOM 362 CG1 VAL A 22 -9.301 1.839 8.733 1.00 0.00 C ATOM 363 CG2 VAL A 22 -9.077 4.331 9.050 1.00 0.00 C ATOM 0 H VAL A 22 -6.762 4.122 10.735 1.00 0.00 H new ATOM 0 HA VAL A 22 -9.334 2.935 11.306 1.00 0.00 H new ATOM 0 HB VAL A 22 -7.475 2.926 8.939 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -9.378 2.008 7.659 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -8.814 0.881 8.916 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -10.299 1.828 9.171 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -9.158 4.450 7.970 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -10.067 4.407 9.499 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -8.434 5.113 9.454 1.00 0.00 H new ATOM 373 N PHE A 23 -6.773 0.934 10.764 1.00 0.00 N ATOM 374 CA PHE A 23 -6.258 -0.396 11.041 1.00 0.00 C ATOM 375 C PHE A 23 -5.790 -0.512 12.493 1.00 0.00 C ATOM 376 O PHE A 23 -5.973 -1.550 13.128 1.00 0.00 O ATOM 377 CB PHE A 23 -5.062 -0.615 10.113 1.00 0.00 C ATOM 378 CG PHE A 23 -3.745 -0.053 10.652 1.00 0.00 C ATOM 379 CD1 PHE A 23 -3.191 -0.579 11.777 1.00 0.00 C ATOM 380 CD2 PHE A 23 -3.129 0.974 10.007 1.00 0.00 C ATOM 381 CE1 PHE A 23 -1.969 -0.056 12.278 1.00 0.00 C ATOM 382 CE2 PHE A 23 -1.907 1.496 10.507 1.00 0.00 C ATOM 383 CZ PHE A 23 -1.353 0.970 11.632 1.00 0.00 C ATOM 0 H PHE A 23 -6.172 1.510 10.174 1.00 0.00 H new ATOM 0 HA PHE A 23 -7.040 -1.138 10.879 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -4.944 -1.684 9.936 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -5.274 -0.154 9.148 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -3.680 -1.394 12.289 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -3.570 1.393 9.114 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -1.529 -0.473 13.172 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -1.418 2.311 9.994 1.00 0.00 H new ATOM 0 HZ PHE A 23 -0.424 1.367 12.013 1.00 0.00 H new ATOM 393 N ASN A 24 -5.195 0.568 12.977 1.00 0.00 N ATOM 394 CA ASN A 24 -4.700 0.601 14.343 1.00 0.00 C ATOM 395 C ASN A 24 -5.871 0.423 15.310 1.00 0.00 C ATOM 396 O ASN A 24 -5.711 -0.153 16.385 1.00 0.00 O ATOM 397 CB ASN A 24 -4.030 1.941 14.653 1.00 0.00 C ATOM 398 CG ASN A 24 -2.896 1.766 15.666 1.00 0.00 C ATOM 399 OD1 ASN A 24 -2.017 0.934 15.514 1.00 0.00 O ATOM 400 ND2 ASN A 24 -2.965 2.595 16.704 1.00 0.00 N ATOM 0 H ASN A 24 -5.044 1.427 12.448 1.00 0.00 H new ATOM 0 HA ASN A 24 -3.972 -0.202 14.457 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -3.638 2.377 13.734 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -4.769 2.639 15.046 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -2.254 2.558 17.435 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -3.729 3.268 16.769 1.00 0.00 H new ATOM 407 N LYS A 25 -7.023 0.928 14.894 1.00 0.00 N ATOM 408 CA LYS A 25 -8.221 0.831 15.710 1.00 0.00 C ATOM 409 C LYS A 25 -8.434 -0.626 16.126 1.00 0.00 C ATOM 410 O LYS A 25 -9.055 -0.898 17.152 1.00 0.00 O ATOM 411 CB LYS A 25 -9.418 1.444 14.980 1.00 0.00 C ATOM 412 CG LYS A 25 -9.752 2.828 15.540 1.00 0.00 C ATOM 413 CD LYS A 25 -10.804 3.529 14.678 1.00 0.00 C ATOM 414 CE LYS A 25 -12.037 3.894 15.507 1.00 0.00 C ATOM 415 NZ LYS A 25 -13.066 4.528 14.653 1.00 0.00 N ATOM 0 H LYS A 25 -7.152 1.406 14.002 1.00 0.00 H new ATOM 0 HA LYS A 25 -8.105 1.410 16.626 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -9.198 1.522 13.915 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -10.284 0.789 15.080 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -10.119 2.732 16.562 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -8.848 3.435 15.582 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -10.377 4.430 14.238 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -11.095 2.879 13.853 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -12.446 2.999 15.975 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -11.754 4.573 16.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -13.896 4.770 15.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -12.678 5.393 14.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -13.348 3.867 13.901 1.00 0.00 H new ATOM 429 N GLU A 26 -7.908 -1.524 15.307 1.00 0.00 N ATOM 430 CA GLU A 26 -8.032 -2.947 15.576 1.00 0.00 C ATOM 431 C GLU A 26 -6.817 -3.447 16.359 1.00 0.00 C ATOM 432 O GLU A 26 -6.887 -4.476 17.030 1.00 0.00 O ATOM 433 CB GLU A 26 -8.212 -3.737 14.278 1.00 0.00 C ATOM 434 CG GLU A 26 -9.660 -3.667 13.790 1.00 0.00 C ATOM 435 CD GLU A 26 -10.510 -4.762 14.438 1.00 0.00 C ATOM 436 OE1 GLU A 26 -10.073 -5.931 14.377 1.00 0.00 O ATOM 437 OE2 GLU A 26 -11.578 -4.404 14.980 1.00 0.00 O ATOM 0 H GLU A 26 -7.395 -1.294 14.456 1.00 0.00 H new ATOM 0 HA GLU A 26 -8.922 -3.106 16.185 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -7.547 -3.340 13.511 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -7.929 -4.777 14.439 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -10.080 -2.689 14.025 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -9.688 -3.774 12.706 1.00 0.00 H new ATOM 444 N GLY A 27 -5.731 -2.696 16.247 1.00 0.00 N ATOM 445 CA GLY A 27 -4.502 -3.051 16.937 1.00 0.00 C ATOM 446 C GLY A 27 -3.638 -3.976 16.077 1.00 0.00 C ATOM 447 O GLY A 27 -2.800 -4.710 16.598 1.00 0.00 O ATOM 0 H GLY A 27 -5.676 -1.844 15.689 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -3.943 -2.147 17.180 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -4.739 -3.542 17.881 1.00 0.00 H new ATOM 451 N TYR A 28 -3.873 -3.911 14.775 1.00 0.00 N ATOM 452 CA TYR A 28 -3.127 -4.734 13.837 1.00 0.00 C ATOM 453 C TYR A 28 -1.647 -4.347 13.826 1.00 0.00 C ATOM 454 O TYR A 28 -1.302 -3.191 14.067 1.00 0.00 O ATOM 455 CB TYR A 28 -3.727 -4.451 12.458 1.00 0.00 C ATOM 456 CG TYR A 28 -5.195 -4.861 12.322 1.00 0.00 C ATOM 457 CD1 TYR A 28 -5.660 -5.986 12.973 1.00 0.00 C ATOM 458 CD2 TYR A 28 -6.053 -4.107 11.549 1.00 0.00 C ATOM 459 CE1 TYR A 28 -7.042 -6.371 12.845 1.00 0.00 C ATOM 460 CE2 TYR A 28 -7.434 -4.492 11.420 1.00 0.00 C ATOM 461 CZ TYR A 28 -7.860 -5.606 12.075 1.00 0.00 C ATOM 462 OH TYR A 28 -9.165 -5.970 11.954 1.00 0.00 O ATOM 0 H TYR A 28 -4.570 -3.301 14.347 1.00 0.00 H new ATOM 0 HA TYR A 28 -3.192 -5.786 14.113 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -3.637 -3.386 12.246 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -3.142 -4.977 11.704 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -4.988 -6.577 13.578 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -5.688 -3.227 11.040 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -7.420 -7.248 13.350 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -8.116 -3.910 10.818 1.00 0.00 H new ATOM 0 HH TYR A 28 -9.476 -6.358 12.799 1.00 0.00 H new ATOM 472 N GLN A 29 -0.812 -5.336 13.542 1.00 0.00 N ATOM 473 CA GLN A 29 0.623 -5.113 13.496 1.00 0.00 C ATOM 474 C GLN A 29 1.024 -4.512 12.147 1.00 0.00 C ATOM 475 O GLN A 29 1.115 -5.224 11.149 1.00 0.00 O ATOM 476 CB GLN A 29 1.388 -6.410 13.767 1.00 0.00 C ATOM 477 CG GLN A 29 2.286 -6.271 14.998 1.00 0.00 C ATOM 478 CD GLN A 29 2.763 -7.640 15.487 1.00 0.00 C ATOM 479 OE1 GLN A 29 3.378 -8.406 14.763 1.00 0.00 O ATOM 480 NE2 GLN A 29 2.446 -7.903 16.751 1.00 0.00 N ATOM 0 H GLN A 29 -1.102 -6.293 13.342 1.00 0.00 H new ATOM 0 HA GLN A 29 0.886 -4.403 14.281 1.00 0.00 H new ATOM 0 HB2 GLN A 29 0.683 -7.227 13.917 1.00 0.00 H new ATOM 0 HB3 GLN A 29 1.994 -6.667 12.898 1.00 0.00 H new ATOM 0 HG2 GLN A 29 3.147 -5.647 14.756 1.00 0.00 H new ATOM 0 HG3 GLN A 29 1.740 -5.766 15.795 1.00 0.00 H new ATOM 0 HE21 GLN A 29 1.929 -7.216 17.301 1.00 0.00 H new ATOM 0 HE22 GLN A 29 2.719 -8.791 17.171 1.00 0.00 H new ATOM 489 N THR A 30 1.252 -3.207 12.162 1.00 0.00 N ATOM 490 CA THR A 30 1.640 -2.501 10.952 1.00 0.00 C ATOM 491 C THR A 30 3.024 -1.872 11.124 1.00 0.00 C ATOM 492 O THR A 30 3.474 -1.647 12.247 1.00 0.00 O ATOM 493 CB THR A 30 0.546 -1.483 10.626 1.00 0.00 C ATOM 494 OG1 THR A 30 0.637 -0.526 11.678 1.00 0.00 O ATOM 495 CG2 THR A 30 -0.860 -2.068 10.775 1.00 0.00 C ATOM 0 H THR A 30 1.176 -2.620 12.993 1.00 0.00 H new ATOM 0 HA THR A 30 1.730 -3.184 10.107 1.00 0.00 H new ATOM 0 HB THR A 30 0.682 -1.118 9.608 1.00 0.00 H new ATOM 0 HG1 THR A 30 -0.198 -0.015 11.729 1.00 0.00 H new ATOM 0 HG21 THR A 30 -1.599 -1.305 10.532 1.00 0.00 H new ATOM 0 HG22 THR A 30 -0.976 -2.914 10.097 1.00 0.00 H new ATOM 0 HG23 THR A 30 -1.008 -2.403 11.802 1.00 0.00 H new ATOM 503 N PHE A 31 3.661 -1.604 9.993 1.00 0.00 N ATOM 504 CA PHE A 31 4.985 -1.005 10.004 1.00 0.00 C ATOM 505 C PHE A 31 5.117 0.052 8.906 1.00 0.00 C ATOM 506 O PHE A 31 4.320 0.083 7.969 1.00 0.00 O ATOM 507 CB PHE A 31 5.988 -2.129 9.737 1.00 0.00 C ATOM 508 CG PHE A 31 7.037 -2.301 10.836 1.00 0.00 C ATOM 509 CD1 PHE A 31 6.751 -3.044 11.939 1.00 0.00 C ATOM 510 CD2 PHE A 31 8.256 -1.711 10.711 1.00 0.00 C ATOM 511 CE1 PHE A 31 7.726 -3.203 12.960 1.00 0.00 C ATOM 512 CE2 PHE A 31 9.231 -1.871 11.732 1.00 0.00 C ATOM 513 CZ PHE A 31 8.945 -2.614 12.835 1.00 0.00 C ATOM 0 H PHE A 31 3.285 -1.791 9.063 1.00 0.00 H new ATOM 0 HA PHE A 31 5.165 -0.519 10.963 1.00 0.00 H new ATOM 0 HB2 PHE A 31 5.444 -3.066 9.618 1.00 0.00 H new ATOM 0 HB3 PHE A 31 6.495 -1.933 8.792 1.00 0.00 H new ATOM 0 HD1 PHE A 31 5.783 -3.513 12.039 1.00 0.00 H new ATOM 0 HD2 PHE A 31 8.483 -1.121 9.835 1.00 0.00 H new ATOM 0 HE1 PHE A 31 7.499 -3.792 13.836 1.00 0.00 H new ATOM 0 HE2 PHE A 31 10.199 -1.403 11.632 1.00 0.00 H new ATOM 0 HZ PHE A 31 9.686 -2.736 13.611 1.00 0.00 H new ATOM 523 N GLN A 32 6.130 0.893 9.057 1.00 0.00 N ATOM 524 CA GLN A 32 6.377 1.949 8.089 1.00 0.00 C ATOM 525 C GLN A 32 7.776 1.801 7.488 1.00 0.00 C ATOM 526 O GLN A 32 8.710 1.390 8.174 1.00 0.00 O ATOM 527 CB GLN A 32 6.196 3.329 8.725 1.00 0.00 C ATOM 528 CG GLN A 32 7.115 4.360 8.067 1.00 0.00 C ATOM 529 CD GLN A 32 6.600 5.782 8.302 1.00 0.00 C ATOM 530 OE1 GLN A 32 6.150 6.383 7.205 1.00 0.00 O flip ATOM 531 NE2 GLN A 32 6.612 6.299 9.407 1.00 0.00 N flip ATOM 0 H GLN A 32 6.789 0.865 9.835 1.00 0.00 H new ATOM 0 HA GLN A 32 5.646 1.857 7.285 1.00 0.00 H new ATOM 0 HB2 GLN A 32 5.158 3.646 8.626 1.00 0.00 H new ATOM 0 HB3 GLN A 32 6.411 3.273 9.792 1.00 0.00 H new ATOM 0 HG2 GLN A 32 8.123 4.263 8.470 1.00 0.00 H new ATOM 0 HG3 GLN A 32 7.179 4.165 6.997 1.00 0.00 H new ATOM 0 HE21 GLN A 32 6.972 5.781 10.209 1.00 0.00 H new ATOM 0 HE22 GLN A 32 6.262 7.249 9.529 1.00 0.00 H new ATOM 540 N ALA A 33 7.876 2.144 6.212 1.00 0.00 N ATOM 541 CA ALA A 33 9.145 2.055 5.510 1.00 0.00 C ATOM 542 C ALA A 33 9.433 3.386 4.814 1.00 0.00 C ATOM 543 O ALA A 33 8.555 4.243 4.717 1.00 0.00 O ATOM 544 CB ALA A 33 9.105 0.881 4.530 1.00 0.00 C ATOM 0 H ALA A 33 7.099 2.484 5.646 1.00 0.00 H new ATOM 0 HA ALA A 33 9.959 1.867 6.211 1.00 0.00 H new ATOM 0 HB1 ALA A 33 10.057 0.814 4.003 1.00 0.00 H new ATOM 0 HB2 ALA A 33 8.928 -0.044 5.078 1.00 0.00 H new ATOM 0 HB3 ALA A 33 8.302 1.036 3.810 1.00 0.00 H new ATOM 550 N ALA A 34 10.666 3.519 4.348 1.00 0.00 N ATOM 551 CA ALA A 34 11.080 4.732 3.663 1.00 0.00 C ATOM 552 C ALA A 34 11.692 4.366 2.310 1.00 0.00 C ATOM 553 O ALA A 34 12.720 4.915 1.919 1.00 0.00 O ATOM 554 CB ALA A 34 12.053 5.512 4.550 1.00 0.00 C ATOM 0 H ALA A 34 11.392 2.807 4.431 1.00 0.00 H new ATOM 0 HA ALA A 34 10.222 5.377 3.473 1.00 0.00 H new ATOM 0 HB1 ALA A 34 12.364 6.422 4.037 1.00 0.00 H new ATOM 0 HB2 ALA A 34 11.561 5.774 5.487 1.00 0.00 H new ATOM 0 HB3 ALA A 34 12.928 4.897 4.759 1.00 0.00 H new ATOM 560 N ASN A 35 11.032 3.439 1.630 1.00 0.00 N ATOM 561 CA ASN A 35 11.498 2.992 0.328 1.00 0.00 C ATOM 562 C ASN A 35 10.890 1.623 0.016 1.00 0.00 C ATOM 563 O ASN A 35 10.063 1.119 0.775 1.00 0.00 O ATOM 564 CB ASN A 35 13.021 2.849 0.307 1.00 0.00 C ATOM 565 CG ASN A 35 13.663 3.943 -0.547 1.00 0.00 C ATOM 566 OD1 ASN A 35 13.019 4.596 -1.353 1.00 0.00 O ATOM 567 ND2 ASN A 35 14.964 4.108 -0.328 1.00 0.00 N ATOM 0 H ASN A 35 10.179 2.986 1.956 1.00 0.00 H new ATOM 0 HA ASN A 35 11.196 3.734 -0.411 1.00 0.00 H new ATOM 0 HB2 ASN A 35 13.409 2.902 1.324 1.00 0.00 H new ATOM 0 HB3 ASN A 35 13.292 1.869 -0.087 1.00 0.00 H new ATOM 0 HD21 ASN A 35 15.483 4.815 -0.849 1.00 0.00 H new ATOM 0 HD22 ASN A 35 15.443 3.528 0.361 1.00 0.00 H new ATOM 574 N GLY A 36 11.323 1.060 -1.102 1.00 0.00 N ATOM 575 CA GLY A 36 10.832 -0.241 -1.524 1.00 0.00 C ATOM 576 C GLY A 36 11.617 -1.368 -0.851 1.00 0.00 C ATOM 577 O GLY A 36 11.029 -2.305 -0.314 1.00 0.00 O ATOM 0 H GLY A 36 12.009 1.481 -1.729 1.00 0.00 H new ATOM 0 HA2 GLY A 36 9.774 -0.332 -1.277 1.00 0.00 H new ATOM 0 HA3 GLY A 36 10.915 -0.331 -2.607 1.00 0.00 H new ATOM 581 N LEU A 37 12.935 -1.241 -0.902 1.00 0.00 N ATOM 582 CA LEU A 37 13.807 -2.237 -0.304 1.00 0.00 C ATOM 583 C LEU A 37 13.453 -2.397 1.176 1.00 0.00 C ATOM 584 O LEU A 37 13.138 -3.497 1.627 1.00 0.00 O ATOM 585 CB LEU A 37 15.275 -1.881 -0.550 1.00 0.00 C ATOM 586 CG LEU A 37 16.146 -2.993 -1.137 1.00 0.00 C ATOM 587 CD1 LEU A 37 17.474 -2.435 -1.652 1.00 0.00 C ATOM 588 CD2 LEU A 37 16.353 -4.120 -0.123 1.00 0.00 C ATOM 0 H LEU A 37 13.420 -0.463 -1.349 1.00 0.00 H new ATOM 0 HA LEU A 37 13.655 -3.208 -0.775 1.00 0.00 H new ATOM 0 HB2 LEU A 37 15.313 -1.024 -1.223 1.00 0.00 H new ATOM 0 HB3 LEU A 37 15.715 -1.563 0.396 1.00 0.00 H new ATOM 0 HG LEU A 37 15.623 -3.421 -1.992 1.00 0.00 H new ATOM 0 HD11 LEU A 37 18.074 -3.246 -2.064 1.00 0.00 H new ATOM 0 HD12 LEU A 37 17.281 -1.695 -2.429 1.00 0.00 H new ATOM 0 HD13 LEU A 37 18.014 -1.965 -0.830 1.00 0.00 H new ATOM 0 HD21 LEU A 37 16.976 -4.898 -0.565 1.00 0.00 H new ATOM 0 HD22 LEU A 37 16.844 -3.724 0.766 1.00 0.00 H new ATOM 0 HD23 LEU A 37 15.387 -4.542 0.154 1.00 0.00 H new ATOM 600 N GLN A 38 13.515 -1.283 1.890 1.00 0.00 N ATOM 601 CA GLN A 38 13.205 -1.286 3.309 1.00 0.00 C ATOM 602 C GLN A 38 11.800 -1.845 3.544 1.00 0.00 C ATOM 603 O GLN A 38 11.505 -2.360 4.621 1.00 0.00 O ATOM 604 CB GLN A 38 13.343 0.117 3.904 1.00 0.00 C ATOM 605 CG GLN A 38 14.564 0.206 4.822 1.00 0.00 C ATOM 606 CD GLN A 38 14.360 1.269 5.903 1.00 0.00 C ATOM 607 OE1 GLN A 38 13.389 1.261 6.642 1.00 0.00 O ATOM 608 NE2 GLN A 38 15.327 2.181 5.955 1.00 0.00 N ATOM 0 H GLN A 38 13.775 -0.372 1.512 1.00 0.00 H new ATOM 0 HA GLN A 38 13.922 -1.932 3.816 1.00 0.00 H new ATOM 0 HB2 GLN A 38 13.433 0.849 3.101 1.00 0.00 H new ATOM 0 HB3 GLN A 38 12.443 0.368 4.465 1.00 0.00 H new ATOM 0 HG2 GLN A 38 14.744 -0.762 5.289 1.00 0.00 H new ATOM 0 HG3 GLN A 38 15.449 0.446 4.233 1.00 0.00 H new ATOM 0 HE21 GLN A 38 16.112 2.129 5.306 1.00 0.00 H new ATOM 0 HE22 GLN A 38 15.283 2.932 6.644 1.00 0.00 H new ATOM 617 N ALA A 39 10.970 -1.724 2.518 1.00 0.00 N ATOM 618 CA ALA A 39 9.604 -2.211 2.599 1.00 0.00 C ATOM 619 C ALA A 39 9.578 -3.704 2.265 1.00 0.00 C ATOM 620 O ALA A 39 8.768 -4.452 2.810 1.00 0.00 O ATOM 621 CB ALA A 39 8.713 -1.389 1.665 1.00 0.00 C ATOM 0 H ALA A 39 11.218 -1.296 1.626 1.00 0.00 H new ATOM 0 HA ALA A 39 9.214 -2.093 3.610 1.00 0.00 H new ATOM 0 HB1 ALA A 39 7.688 -1.754 1.725 1.00 0.00 H new ATOM 0 HB2 ALA A 39 8.743 -0.341 1.963 1.00 0.00 H new ATOM 0 HB3 ALA A 39 9.073 -1.486 0.641 1.00 0.00 H new ATOM 627 N LEU A 40 10.475 -4.093 1.371 1.00 0.00 N ATOM 628 CA LEU A 40 10.565 -5.483 0.958 1.00 0.00 C ATOM 629 C LEU A 40 10.844 -6.357 2.182 1.00 0.00 C ATOM 630 O LEU A 40 10.222 -7.405 2.356 1.00 0.00 O ATOM 631 CB LEU A 40 11.597 -5.644 -0.160 1.00 0.00 C ATOM 632 CG LEU A 40 11.136 -5.242 -1.563 1.00 0.00 C ATOM 633 CD1 LEU A 40 12.175 -5.631 -2.615 1.00 0.00 C ATOM 634 CD2 LEU A 40 9.757 -5.827 -1.875 1.00 0.00 C ATOM 0 H LEU A 40 11.146 -3.470 0.921 1.00 0.00 H new ATOM 0 HA LEU A 40 9.617 -5.817 0.536 1.00 0.00 H new ATOM 0 HB2 LEU A 40 12.475 -5.052 0.096 1.00 0.00 H new ATOM 0 HB3 LEU A 40 11.913 -6.687 -0.188 1.00 0.00 H new ATOM 0 HG LEU A 40 11.040 -4.157 -1.593 1.00 0.00 H new ATOM 0 HD11 LEU A 40 11.822 -5.334 -3.602 1.00 0.00 H new ATOM 0 HD12 LEU A 40 13.117 -5.127 -2.400 1.00 0.00 H new ATOM 0 HD13 LEU A 40 12.328 -6.710 -2.594 1.00 0.00 H new ATOM 0 HD21 LEU A 40 9.453 -5.526 -2.878 1.00 0.00 H new ATOM 0 HD22 LEU A 40 9.802 -6.915 -1.820 1.00 0.00 H new ATOM 0 HD23 LEU A 40 9.032 -5.457 -1.150 1.00 0.00 H new ATOM 646 N ASP A 41 11.779 -5.895 2.999 1.00 0.00 N ATOM 647 CA ASP A 41 12.147 -6.622 4.202 1.00 0.00 C ATOM 648 C ASP A 41 11.024 -6.497 5.233 1.00 0.00 C ATOM 649 O ASP A 41 10.518 -7.501 5.731 1.00 0.00 O ATOM 650 CB ASP A 41 13.424 -6.050 4.822 1.00 0.00 C ATOM 651 CG ASP A 41 14.055 -6.914 5.916 1.00 0.00 C ATOM 652 OD1 ASP A 41 14.750 -7.884 5.543 1.00 0.00 O ATOM 653 OD2 ASP A 41 13.827 -6.586 7.100 1.00 0.00 O ATOM 0 H ASP A 41 12.293 -5.026 2.852 1.00 0.00 H new ATOM 0 HA ASP A 41 12.314 -7.664 3.928 1.00 0.00 H new ATOM 0 HB2 ASP A 41 14.158 -5.899 4.031 1.00 0.00 H new ATOM 0 HB3 ASP A 41 13.199 -5.069 5.240 1.00 0.00 H new ATOM 658 N ILE A 42 10.666 -5.254 5.522 1.00 0.00 N ATOM 659 CA ILE A 42 9.611 -4.984 6.485 1.00 0.00 C ATOM 660 C ILE A 42 8.324 -5.676 6.032 1.00 0.00 C ATOM 661 O ILE A 42 7.443 -5.950 6.845 1.00 0.00 O ATOM 662 CB ILE A 42 9.457 -3.477 6.701 1.00 0.00 C ATOM 663 CG1 ILE A 42 10.681 -2.897 7.413 1.00 0.00 C ATOM 664 CG2 ILE A 42 8.157 -3.161 7.445 1.00 0.00 C ATOM 665 CD1 ILE A 42 10.491 -2.915 8.931 1.00 0.00 C ATOM 0 H ILE A 42 11.087 -4.423 5.107 1.00 0.00 H new ATOM 0 HA ILE A 42 9.869 -5.398 7.460 1.00 0.00 H new ATOM 0 HB ILE A 42 9.395 -2.996 5.725 1.00 0.00 H new ATOM 0 HG12 ILE A 42 11.568 -3.472 7.147 1.00 0.00 H new ATOM 0 HG13 ILE A 42 10.852 -1.874 7.076 1.00 0.00 H new ATOM 0 HG21 ILE A 42 8.071 -2.084 7.586 1.00 0.00 H new ATOM 0 HG22 ILE A 42 7.308 -3.519 6.863 1.00 0.00 H new ATOM 0 HG23 ILE A 42 8.165 -3.655 8.417 1.00 0.00 H new ATOM 0 HD11 ILE A 42 11.375 -2.498 9.413 1.00 0.00 H new ATOM 0 HD12 ILE A 42 9.618 -2.319 9.195 1.00 0.00 H new ATOM 0 HD13 ILE A 42 10.345 -3.941 9.267 1.00 0.00 H new ATOM 677 N VAL A 43 8.256 -5.937 4.735 1.00 0.00 N ATOM 678 CA VAL A 43 7.090 -6.592 4.164 1.00 0.00 C ATOM 679 C VAL A 43 6.967 -8.002 4.745 1.00 0.00 C ATOM 680 O VAL A 43 5.931 -8.358 5.304 1.00 0.00 O ATOM 681 CB VAL A 43 7.180 -6.580 2.636 1.00 0.00 C ATOM 682 CG1 VAL A 43 6.617 -7.874 2.044 1.00 0.00 C ATOM 683 CG2 VAL A 43 6.469 -5.356 2.055 1.00 0.00 C ATOM 0 H VAL A 43 8.988 -5.707 4.063 1.00 0.00 H new ATOM 0 HA VAL A 43 6.181 -6.052 4.427 1.00 0.00 H new ATOM 0 HB VAL A 43 8.233 -6.517 2.362 1.00 0.00 H new ATOM 0 HG11 VAL A 43 6.693 -7.840 0.957 1.00 0.00 H new ATOM 0 HG12 VAL A 43 7.186 -8.724 2.421 1.00 0.00 H new ATOM 0 HG13 VAL A 43 5.571 -7.981 2.332 1.00 0.00 H new ATOM 0 HG21 VAL A 43 6.548 -5.371 0.968 1.00 0.00 H new ATOM 0 HG22 VAL A 43 5.418 -5.375 2.343 1.00 0.00 H new ATOM 0 HG23 VAL A 43 6.934 -4.448 2.440 1.00 0.00 H new ATOM 693 N THR A 44 8.038 -8.766 4.592 1.00 0.00 N ATOM 694 CA THR A 44 8.063 -10.129 5.094 1.00 0.00 C ATOM 695 C THR A 44 8.205 -10.134 6.617 1.00 0.00 C ATOM 696 O THR A 44 7.642 -10.993 7.294 1.00 0.00 O ATOM 697 CB THR A 44 9.188 -10.877 4.377 1.00 0.00 C ATOM 698 OG1 THR A 44 8.936 -10.642 2.994 1.00 0.00 O ATOM 699 CG2 THR A 44 9.069 -12.396 4.524 1.00 0.00 C ATOM 0 H THR A 44 8.895 -8.467 4.127 1.00 0.00 H new ATOM 0 HA THR A 44 7.126 -10.644 4.884 1.00 0.00 H new ATOM 0 HB THR A 44 10.150 -10.548 4.771 1.00 0.00 H new ATOM 0 HG1 THR A 44 9.621 -11.091 2.456 1.00 0.00 H new ATOM 0 HG21 THR A 44 9.892 -12.878 3.997 1.00 0.00 H new ATOM 0 HG22 THR A 44 9.108 -12.664 5.580 1.00 0.00 H new ATOM 0 HG23 THR A 44 8.122 -12.729 4.100 1.00 0.00 H new ATOM 707 N LYS A 45 8.961 -9.164 7.112 1.00 0.00 N ATOM 708 CA LYS A 45 9.184 -9.046 8.543 1.00 0.00 C ATOM 709 C LYS A 45 7.835 -8.943 9.258 1.00 0.00 C ATOM 710 O LYS A 45 7.622 -9.589 10.283 1.00 0.00 O ATOM 711 CB LYS A 45 10.129 -7.881 8.843 1.00 0.00 C ATOM 712 CG LYS A 45 11.280 -8.328 9.747 1.00 0.00 C ATOM 713 CD LYS A 45 11.395 -7.423 10.976 1.00 0.00 C ATOM 714 CE LYS A 45 12.860 -7.131 11.306 1.00 0.00 C ATOM 715 NZ LYS A 45 13.382 -6.052 10.438 1.00 0.00 N ATOM 0 H LYS A 45 9.426 -8.453 6.548 1.00 0.00 H new ATOM 0 HA LYS A 45 9.681 -9.937 8.926 1.00 0.00 H new ATOM 0 HB2 LYS A 45 10.528 -7.482 7.910 1.00 0.00 H new ATOM 0 HB3 LYS A 45 9.576 -7.074 9.324 1.00 0.00 H new ATOM 0 HG2 LYS A 45 11.119 -9.359 10.064 1.00 0.00 H new ATOM 0 HG3 LYS A 45 12.215 -8.308 9.188 1.00 0.00 H new ATOM 0 HD2 LYS A 45 10.866 -6.488 10.794 1.00 0.00 H new ATOM 0 HD3 LYS A 45 10.914 -7.900 11.830 1.00 0.00 H new ATOM 0 HE2 LYS A 45 12.952 -6.840 12.353 1.00 0.00 H new ATOM 0 HE3 LYS A 45 13.456 -8.034 11.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 14.377 -5.867 10.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 13.312 -6.343 9.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 12.824 -5.187 10.586 1.00 0.00 H new ATOM 729 N GLU A 46 6.960 -8.127 8.690 1.00 0.00 N ATOM 730 CA GLU A 46 5.638 -7.931 9.260 1.00 0.00 C ATOM 731 C GLU A 46 4.596 -8.726 8.470 1.00 0.00 C ATOM 732 O GLU A 46 3.422 -8.749 8.834 1.00 0.00 O ATOM 733 CB GLU A 46 5.275 -6.446 9.307 1.00 0.00 C ATOM 734 CG GLU A 46 5.683 -5.824 10.644 1.00 0.00 C ATOM 735 CD GLU A 46 4.557 -5.949 11.673 1.00 0.00 C ATOM 736 OE1 GLU A 46 4.320 -7.093 12.118 1.00 0.00 O ATOM 737 OE2 GLU A 46 3.959 -4.899 11.991 1.00 0.00 O ATOM 0 H GLU A 46 7.141 -7.593 7.840 1.00 0.00 H new ATOM 0 HA GLU A 46 5.648 -8.301 10.285 1.00 0.00 H new ATOM 0 HB2 GLU A 46 5.771 -5.921 8.491 1.00 0.00 H new ATOM 0 HB3 GLU A 46 4.202 -6.325 9.158 1.00 0.00 H new ATOM 0 HG2 GLU A 46 6.580 -6.316 11.020 1.00 0.00 H new ATOM 0 HG3 GLU A 46 5.933 -4.773 10.499 1.00 0.00 H new ATOM 744 N ARG A 47 5.065 -9.358 7.404 1.00 0.00 N ATOM 745 CA ARG A 47 4.188 -10.151 6.560 1.00 0.00 C ATOM 746 C ARG A 47 2.741 -9.673 6.699 1.00 0.00 C ATOM 747 O ARG A 47 1.876 -10.424 7.146 1.00 0.00 O ATOM 748 CB ARG A 47 4.265 -11.635 6.926 1.00 0.00 C ATOM 749 CG ARG A 47 3.950 -11.851 8.408 1.00 0.00 C ATOM 750 CD ARG A 47 2.777 -12.818 8.584 1.00 0.00 C ATOM 751 NE ARG A 47 3.198 -14.192 8.231 1.00 0.00 N ATOM 752 CZ ARG A 47 2.393 -15.263 8.290 1.00 0.00 C ATOM 753 NH1 ARG A 47 1.122 -15.124 8.689 1.00 0.00 N ATOM 754 NH2 ARG A 47 2.861 -16.472 7.951 1.00 0.00 N ATOM 0 H ARG A 47 6.040 -9.337 7.106 1.00 0.00 H new ATOM 0 HA ARG A 47 4.518 -10.025 5.529 1.00 0.00 H new ATOM 0 HB2 ARG A 47 3.562 -12.201 6.315 1.00 0.00 H new ATOM 0 HB3 ARG A 47 5.261 -12.017 6.703 1.00 0.00 H new ATOM 0 HG2 ARG A 47 4.830 -12.245 8.917 1.00 0.00 H new ATOM 0 HG3 ARG A 47 3.712 -10.896 8.876 1.00 0.00 H new ATOM 0 HD2 ARG A 47 2.423 -12.790 9.615 1.00 0.00 H new ATOM 0 HD3 ARG A 47 1.943 -12.511 7.953 1.00 0.00 H new ATOM 0 HE ARG A 47 4.160 -14.333 7.924 1.00 0.00 H new ATOM 0 HH11 ARG A 47 0.766 -14.204 8.948 1.00 0.00 H new ATOM 0 HH12 ARG A 47 0.510 -15.938 8.734 1.00 0.00 H new ATOM 0 HH21 ARG A 47 3.829 -16.578 7.648 1.00 0.00 H new ATOM 0 HH22 ARG A 47 2.249 -17.287 7.996 1.00 0.00 H new ATOM 768 N PRO A 48 2.518 -8.393 6.297 1.00 0.00 N ATOM 769 CA PRO A 48 1.191 -7.806 6.372 1.00 0.00 C ATOM 770 C PRO A 48 0.288 -8.348 5.263 1.00 0.00 C ATOM 771 O PRO A 48 0.774 -8.829 4.241 1.00 0.00 O ATOM 772 CB PRO A 48 1.419 -6.306 6.273 1.00 0.00 C ATOM 773 CG PRO A 48 2.808 -6.134 5.682 1.00 0.00 C ATOM 774 CD PRO A 48 3.519 -7.475 5.762 1.00 0.00 C ATOM 0 HA PRO A 48 0.672 -8.057 7.297 1.00 0.00 H new ATOM 0 HB2 PRO A 48 0.665 -5.837 5.641 1.00 0.00 H new ATOM 0 HB3 PRO A 48 1.351 -5.835 7.254 1.00 0.00 H new ATOM 0 HG2 PRO A 48 2.743 -5.798 4.647 1.00 0.00 H new ATOM 0 HG3 PRO A 48 3.364 -5.374 6.230 1.00 0.00 H new ATOM 0 HD2 PRO A 48 3.868 -7.797 4.781 1.00 0.00 H new ATOM 0 HD3 PRO A 48 4.394 -7.421 6.410 1.00 0.00 H new ATOM 782 N ASP A 49 -1.012 -8.253 5.503 1.00 0.00 N ATOM 783 CA ASP A 49 -1.988 -8.728 4.536 1.00 0.00 C ATOM 784 C ASP A 49 -2.250 -7.632 3.502 1.00 0.00 C ATOM 785 O ASP A 49 -3.003 -7.838 2.551 1.00 0.00 O ATOM 786 CB ASP A 49 -3.317 -9.064 5.216 1.00 0.00 C ATOM 787 CG ASP A 49 -3.625 -10.558 5.330 1.00 0.00 C ATOM 788 OD1 ASP A 49 -3.274 -11.284 4.375 1.00 0.00 O ATOM 789 OD2 ASP A 49 -4.205 -10.940 6.369 1.00 0.00 O ATOM 0 H ASP A 49 -1.412 -7.854 6.352 1.00 0.00 H new ATOM 0 HA ASP A 49 -1.587 -9.625 4.064 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -3.316 -8.631 6.216 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -4.123 -8.583 4.662 1.00 0.00 H new ATOM 794 N LEU A 50 -1.613 -6.491 3.721 1.00 0.00 N ATOM 795 CA LEU A 50 -1.768 -5.362 2.819 1.00 0.00 C ATOM 796 C LEU A 50 -0.581 -4.412 2.990 1.00 0.00 C ATOM 797 O LEU A 50 -0.018 -4.306 4.079 1.00 0.00 O ATOM 798 CB LEU A 50 -3.127 -4.692 3.028 1.00 0.00 C ATOM 799 CG LEU A 50 -4.040 -4.629 1.801 1.00 0.00 C ATOM 800 CD1 LEU A 50 -4.397 -6.034 1.311 1.00 0.00 C ATOM 801 CD2 LEU A 50 -5.285 -3.787 2.087 1.00 0.00 C ATOM 0 H LEU A 50 -0.988 -6.324 4.510 1.00 0.00 H new ATOM 0 HA LEU A 50 -1.761 -5.699 1.782 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.653 -5.223 3.821 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -2.958 -3.675 3.383 1.00 0.00 H new ATOM 0 HG LEU A 50 -3.497 -4.136 0.995 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -5.046 -5.961 0.439 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -3.486 -6.568 1.041 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -4.914 -6.575 2.104 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -5.917 -3.758 1.199 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -5.841 -4.229 2.914 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -4.985 -2.773 2.352 1.00 0.00 H new ATOM 813 N VAL A 51 -0.236 -3.745 1.899 1.00 0.00 N ATOM 814 CA VAL A 51 0.874 -2.807 1.914 1.00 0.00 C ATOM 815 C VAL A 51 0.489 -1.556 1.121 1.00 0.00 C ATOM 816 O VAL A 51 -0.158 -1.651 0.080 1.00 0.00 O ATOM 817 CB VAL A 51 2.139 -3.485 1.385 1.00 0.00 C ATOM 818 CG1 VAL A 51 3.388 -2.687 1.766 1.00 0.00 C ATOM 819 CG2 VAL A 51 2.237 -4.928 1.883 1.00 0.00 C ATOM 0 H VAL A 51 -0.706 -3.835 0.998 1.00 0.00 H new ATOM 0 HA VAL A 51 1.094 -2.491 2.934 1.00 0.00 H new ATOM 0 HB VAL A 51 2.076 -3.510 0.297 1.00 0.00 H new ATOM 0 HG11 VAL A 51 4.274 -3.190 1.378 1.00 0.00 H new ATOM 0 HG12 VAL A 51 3.324 -1.686 1.340 1.00 0.00 H new ATOM 0 HG13 VAL A 51 3.457 -2.616 2.851 1.00 0.00 H new ATOM 0 HG21 VAL A 51 3.145 -5.387 1.492 1.00 0.00 H new ATOM 0 HG22 VAL A 51 2.266 -4.936 2.973 1.00 0.00 H new ATOM 0 HG23 VAL A 51 1.369 -5.491 1.539 1.00 0.00 H new ATOM 829 N LEU A 52 0.905 -0.412 1.645 1.00 0.00 N ATOM 830 CA LEU A 52 0.613 0.857 0.999 1.00 0.00 C ATOM 831 C LEU A 52 1.925 1.556 0.641 1.00 0.00 C ATOM 832 O LEU A 52 2.699 1.922 1.524 1.00 0.00 O ATOM 833 CB LEU A 52 -0.316 1.702 1.874 1.00 0.00 C ATOM 834 CG LEU A 52 -0.153 3.218 1.755 1.00 0.00 C ATOM 835 CD1 LEU A 52 -1.510 3.922 1.809 1.00 0.00 C ATOM 836 CD2 LEU A 52 0.811 3.751 2.817 1.00 0.00 C ATOM 0 H LEU A 52 1.442 -0.337 2.509 1.00 0.00 H new ATOM 0 HA LEU A 52 0.074 0.694 0.066 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.347 1.447 1.627 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -0.158 1.420 2.915 1.00 0.00 H new ATOM 0 HG LEU A 52 0.285 3.438 0.782 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -1.365 4.999 1.722 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -2.134 3.573 0.987 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -1.999 3.697 2.757 1.00 0.00 H new ATOM 0 HD21 LEU A 52 0.909 4.831 2.710 1.00 0.00 H new ATOM 0 HD22 LEU A 52 0.424 3.518 3.809 1.00 0.00 H new ATOM 0 HD23 LEU A 52 1.787 3.284 2.689 1.00 0.00 H new ATOM 848 N LEU A 53 2.136 1.721 -0.657 1.00 0.00 N ATOM 849 CA LEU A 53 3.341 2.371 -1.143 1.00 0.00 C ATOM 850 C LEU A 53 2.963 3.423 -2.187 1.00 0.00 C ATOM 851 O LEU A 53 2.054 3.210 -2.987 1.00 0.00 O ATOM 852 CB LEU A 53 4.342 1.331 -1.652 1.00 0.00 C ATOM 853 CG LEU A 53 5.588 1.883 -2.347 1.00 0.00 C ATOM 854 CD1 LEU A 53 5.268 2.325 -3.776 1.00 0.00 C ATOM 855 CD2 LEU A 53 6.219 3.011 -1.527 1.00 0.00 C ATOM 0 H LEU A 53 1.492 1.416 -1.387 1.00 0.00 H new ATOM 0 HA LEU A 53 3.845 2.895 -0.331 1.00 0.00 H new ATOM 0 HB2 LEU A 53 4.662 0.720 -0.808 1.00 0.00 H new ATOM 0 HB3 LEU A 53 3.826 0.669 -2.347 1.00 0.00 H new ATOM 0 HG LEU A 53 6.324 1.082 -2.414 1.00 0.00 H new ATOM 0 HD11 LEU A 53 6.171 2.713 -4.248 1.00 0.00 H new ATOM 0 HD12 LEU A 53 4.899 1.473 -4.346 1.00 0.00 H new ATOM 0 HD13 LEU A 53 4.506 3.104 -3.754 1.00 0.00 H new ATOM 0 HD21 LEU A 53 7.103 3.386 -2.043 1.00 0.00 H new ATOM 0 HD22 LEU A 53 5.499 3.820 -1.407 1.00 0.00 H new ATOM 0 HD23 LEU A 53 6.505 2.631 -0.546 1.00 0.00 H new ATOM 867 N ASP A 54 3.680 4.536 -2.145 1.00 0.00 N ATOM 868 CA ASP A 54 3.431 5.622 -3.077 1.00 0.00 C ATOM 869 C ASP A 54 4.531 5.637 -4.141 1.00 0.00 C ATOM 870 O ASP A 54 5.615 5.098 -3.926 1.00 0.00 O ATOM 871 CB ASP A 54 3.446 6.976 -2.364 1.00 0.00 C ATOM 872 CG ASP A 54 3.871 8.161 -3.233 1.00 0.00 C ATOM 873 OD1 ASP A 54 3.247 8.333 -4.302 1.00 0.00 O ATOM 874 OD2 ASP A 54 4.811 8.867 -2.809 1.00 0.00 O ATOM 0 H ASP A 54 4.434 4.709 -1.480 1.00 0.00 H new ATOM 0 HA ASP A 54 2.451 5.462 -3.526 1.00 0.00 H new ATOM 0 HB2 ASP A 54 2.449 7.173 -1.970 1.00 0.00 H new ATOM 0 HB3 ASP A 54 4.119 6.912 -1.509 1.00 0.00 H new ATOM 879 N MET A 55 4.212 6.260 -5.267 1.00 0.00 N ATOM 880 CA MET A 55 5.159 6.352 -6.365 1.00 0.00 C ATOM 881 C MET A 55 6.197 7.446 -6.104 1.00 0.00 C ATOM 882 O MET A 55 7.341 7.151 -5.761 1.00 0.00 O ATOM 883 CB MET A 55 4.409 6.660 -7.662 1.00 0.00 C ATOM 884 CG MET A 55 3.658 5.426 -8.167 1.00 0.00 C ATOM 885 SD MET A 55 2.313 5.035 -7.061 1.00 0.00 S ATOM 886 CE MET A 55 3.146 3.925 -5.939 1.00 0.00 C ATOM 0 H MET A 55 3.311 6.706 -5.442 1.00 0.00 H new ATOM 0 HA MET A 55 5.678 5.398 -6.453 1.00 0.00 H new ATOM 0 HB2 MET A 55 3.705 7.475 -7.495 1.00 0.00 H new ATOM 0 HB3 MET A 55 5.113 6.998 -8.422 1.00 0.00 H new ATOM 0 HG2 MET A 55 3.273 5.610 -9.170 1.00 0.00 H new ATOM 0 HG3 MET A 55 4.340 4.579 -8.237 1.00 0.00 H new ATOM 0 HE1 MET A 55 2.763 4.073 -4.929 1.00 0.00 H new ATOM 0 HE2 MET A 55 2.968 2.895 -6.247 1.00 0.00 H new ATOM 0 HE3 MET A 55 4.217 4.128 -5.954 1.00 0.00 H new ATOM 896 N LYS A 56 5.761 8.685 -6.276 1.00 0.00 N ATOM 897 CA LYS A 56 6.638 9.823 -6.063 1.00 0.00 C ATOM 898 C LYS A 56 7.453 9.602 -4.788 1.00 0.00 C ATOM 899 O LYS A 56 6.915 9.665 -3.683 1.00 0.00 O ATOM 900 CB LYS A 56 5.834 11.125 -6.061 1.00 0.00 C ATOM 901 CG LYS A 56 6.529 12.200 -6.900 1.00 0.00 C ATOM 902 CD LYS A 56 6.260 11.989 -8.392 1.00 0.00 C ATOM 903 CE LYS A 56 7.171 12.875 -9.243 1.00 0.00 C ATOM 904 NZ LYS A 56 6.980 12.584 -10.682 1.00 0.00 N ATOM 0 H LYS A 56 4.812 8.926 -6.561 1.00 0.00 H new ATOM 0 HA LYS A 56 7.349 9.915 -6.884 1.00 0.00 H new ATOM 0 HB2 LYS A 56 4.835 10.940 -6.456 1.00 0.00 H new ATOM 0 HB3 LYS A 56 5.712 11.480 -5.038 1.00 0.00 H new ATOM 0 HG2 LYS A 56 6.176 13.186 -6.599 1.00 0.00 H new ATOM 0 HG3 LYS A 56 7.603 12.175 -6.713 1.00 0.00 H new ATOM 0 HD2 LYS A 56 6.421 10.942 -8.650 1.00 0.00 H new ATOM 0 HD3 LYS A 56 5.217 12.215 -8.613 1.00 0.00 H new ATOM 0 HE2 LYS A 56 6.954 13.925 -9.046 1.00 0.00 H new ATOM 0 HE3 LYS A 56 8.212 12.708 -8.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 7.606 13.194 -11.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 7.209 11.587 -10.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 5.990 12.766 -10.945 1.00 0.00 H new ATOM 918 N ILE A 57 8.739 9.347 -4.982 1.00 0.00 N ATOM 919 CA ILE A 57 9.634 9.116 -3.861 1.00 0.00 C ATOM 920 C ILE A 57 10.948 9.862 -4.102 1.00 0.00 C ATOM 921 O ILE A 57 11.415 9.956 -5.236 1.00 0.00 O ATOM 922 CB ILE A 57 9.814 7.616 -3.620 1.00 0.00 C ATOM 923 CG1 ILE A 57 8.497 6.969 -3.186 1.00 0.00 C ATOM 924 CG2 ILE A 57 10.940 7.354 -2.617 1.00 0.00 C ATOM 925 CD1 ILE A 57 8.441 5.501 -3.613 1.00 0.00 C ATOM 0 H ILE A 57 9.182 9.295 -5.899 1.00 0.00 H new ATOM 0 HA ILE A 57 9.204 9.514 -2.942 1.00 0.00 H new ATOM 0 HB ILE A 57 10.106 7.150 -4.561 1.00 0.00 H new ATOM 0 HG12 ILE A 57 8.392 7.041 -2.103 1.00 0.00 H new ATOM 0 HG13 ILE A 57 7.659 7.511 -3.625 1.00 0.00 H new ATOM 0 HG21 ILE A 57 11.048 6.280 -2.463 1.00 0.00 H new ATOM 0 HG22 ILE A 57 11.874 7.761 -3.004 1.00 0.00 H new ATOM 0 HG23 ILE A 57 10.701 7.834 -1.668 1.00 0.00 H new ATOM 0 HD11 ILE A 57 7.495 5.065 -3.292 1.00 0.00 H new ATOM 0 HD12 ILE A 57 8.522 5.434 -4.698 1.00 0.00 H new ATOM 0 HD13 ILE A 57 9.266 4.957 -3.153 1.00 0.00 H new ATOM 937 N PRO A 58 11.523 10.389 -2.987 1.00 0.00 N ATOM 938 CA PRO A 58 12.773 11.123 -3.065 1.00 0.00 C ATOM 939 C PRO A 58 13.956 10.174 -3.268 1.00 0.00 C ATOM 940 O PRO A 58 14.126 9.219 -2.511 1.00 0.00 O ATOM 941 CB PRO A 58 12.854 11.903 -1.762 1.00 0.00 C ATOM 942 CG PRO A 58 11.885 11.222 -0.809 1.00 0.00 C ATOM 943 CD PRO A 58 10.998 10.298 -1.627 1.00 0.00 C ATOM 0 HA PRO A 58 12.811 11.797 -3.921 1.00 0.00 H new ATOM 0 HB2 PRO A 58 13.868 11.892 -1.362 1.00 0.00 H new ATOM 0 HB3 PRO A 58 12.583 12.948 -1.914 1.00 0.00 H new ATOM 0 HG2 PRO A 58 12.428 10.657 -0.051 1.00 0.00 H new ATOM 0 HG3 PRO A 58 11.282 11.963 -0.283 1.00 0.00 H new ATOM 0 HD2 PRO A 58 11.041 9.275 -1.254 1.00 0.00 H new ATOM 0 HD3 PRO A 58 9.954 10.610 -1.584 1.00 0.00 H new ATOM 951 N GLY A 59 14.742 10.469 -4.293 1.00 0.00 N ATOM 952 CA GLY A 59 15.903 9.653 -4.605 1.00 0.00 C ATOM 953 C GLY A 59 15.483 8.266 -5.095 1.00 0.00 C ATOM 954 O GLY A 59 15.312 7.347 -4.296 1.00 0.00 O ATOM 0 H GLY A 59 14.598 11.262 -4.918 1.00 0.00 H new ATOM 0 HA2 GLY A 59 16.504 10.146 -5.369 1.00 0.00 H new ATOM 0 HA3 GLY A 59 16.531 9.555 -3.720 1.00 0.00 H new ATOM 958 N MET A 60 15.328 8.159 -6.406 1.00 0.00 N ATOM 959 CA MET A 60 14.931 6.899 -7.012 1.00 0.00 C ATOM 960 C MET A 60 13.448 6.614 -6.764 1.00 0.00 C ATOM 961 O MET A 60 13.092 5.981 -5.771 1.00 0.00 O ATOM 962 CB MET A 60 15.774 5.763 -6.429 1.00 0.00 C ATOM 963 CG MET A 60 15.786 4.553 -7.364 1.00 0.00 C ATOM 964 SD MET A 60 15.872 3.046 -6.412 1.00 0.00 S ATOM 965 CE MET A 60 14.197 2.970 -5.799 1.00 0.00 C ATOM 0 H MET A 60 15.470 8.924 -7.066 1.00 0.00 H new ATOM 0 HA MET A 60 15.093 6.968 -8.088 1.00 0.00 H new ATOM 0 HB2 MET A 60 16.794 6.110 -6.265 1.00 0.00 H new ATOM 0 HB3 MET A 60 15.376 5.472 -5.457 1.00 0.00 H new ATOM 0 HG2 MET A 60 14.888 4.552 -7.982 1.00 0.00 H new ATOM 0 HG3 MET A 60 16.638 4.614 -8.041 1.00 0.00 H new ATOM 0 HE1 MET A 60 14.090 2.111 -5.137 1.00 0.00 H new ATOM 0 HE2 MET A 60 13.969 3.883 -5.248 1.00 0.00 H new ATOM 0 HE3 MET A 60 13.507 2.870 -6.637 1.00 0.00 H new ATOM 975 N ASP A 61 12.624 7.095 -7.683 1.00 0.00 N ATOM 976 CA ASP A 61 11.188 6.900 -7.575 1.00 0.00 C ATOM 977 C ASP A 61 10.896 5.418 -7.332 1.00 0.00 C ATOM 978 O ASP A 61 11.810 4.595 -7.321 1.00 0.00 O ATOM 979 CB ASP A 61 10.478 7.316 -8.865 1.00 0.00 C ATOM 980 CG ASP A 61 11.344 7.265 -10.125 1.00 0.00 C ATOM 981 OD1 ASP A 61 11.880 6.170 -10.402 1.00 0.00 O ATOM 982 OD2 ASP A 61 11.451 8.323 -10.784 1.00 0.00 O ATOM 0 H ASP A 61 12.923 7.619 -8.505 1.00 0.00 H new ATOM 0 HA ASP A 61 10.825 7.512 -6.749 1.00 0.00 H new ATOM 0 HB2 ASP A 61 9.613 6.669 -9.011 1.00 0.00 H new ATOM 0 HB3 ASP A 61 10.100 8.331 -8.743 1.00 0.00 H new ATOM 987 N GLY A 62 9.618 5.122 -7.143 1.00 0.00 N ATOM 988 CA GLY A 62 9.194 3.754 -6.900 1.00 0.00 C ATOM 989 C GLY A 62 8.740 3.082 -8.197 1.00 0.00 C ATOM 990 O GLY A 62 7.677 2.465 -8.242 1.00 0.00 O ATOM 0 H GLY A 62 8.862 5.807 -7.153 1.00 0.00 H new ATOM 0 HA2 GLY A 62 10.015 3.188 -6.461 1.00 0.00 H new ATOM 0 HA3 GLY A 62 8.378 3.745 -6.177 1.00 0.00 H new ATOM 994 N ILE A 63 9.568 3.226 -9.222 1.00 0.00 N ATOM 995 CA ILE A 63 9.265 2.641 -10.517 1.00 0.00 C ATOM 996 C ILE A 63 9.814 1.214 -10.568 1.00 0.00 C ATOM 997 O ILE A 63 9.104 0.285 -10.953 1.00 0.00 O ATOM 998 CB ILE A 63 9.780 3.538 -11.644 1.00 0.00 C ATOM 999 CG1 ILE A 63 8.969 4.833 -11.727 1.00 0.00 C ATOM 1000 CG2 ILE A 63 9.800 2.787 -12.977 1.00 0.00 C ATOM 1001 CD1 ILE A 63 9.699 5.884 -12.567 1.00 0.00 C ATOM 0 H ILE A 63 10.448 3.739 -9.181 1.00 0.00 H new ATOM 0 HA ILE A 63 8.187 2.574 -10.662 1.00 0.00 H new ATOM 0 HB ILE A 63 10.809 3.816 -11.417 1.00 0.00 H new ATOM 0 HG12 ILE A 63 7.992 4.627 -12.164 1.00 0.00 H new ATOM 0 HG13 ILE A 63 8.794 5.222 -10.724 1.00 0.00 H new ATOM 0 HG21 ILE A 63 10.170 3.447 -13.761 1.00 0.00 H new ATOM 0 HG22 ILE A 63 10.454 1.919 -12.896 1.00 0.00 H new ATOM 0 HG23 ILE A 63 8.790 2.459 -13.225 1.00 0.00 H new ATOM 0 HD11 ILE A 63 9.101 6.795 -12.610 1.00 0.00 H new ATOM 0 HD12 ILE A 63 10.665 6.105 -12.114 1.00 0.00 H new ATOM 0 HD13 ILE A 63 9.851 5.502 -13.576 1.00 0.00 H new ATOM 1013 N GLU A 64 11.072 1.083 -10.174 1.00 0.00 N ATOM 1014 CA GLU A 64 11.724 -0.216 -10.170 1.00 0.00 C ATOM 1015 C GLU A 64 11.405 -0.966 -8.875 1.00 0.00 C ATOM 1016 O GLU A 64 11.418 -2.195 -8.846 1.00 0.00 O ATOM 1017 CB GLU A 64 13.235 -0.071 -10.362 1.00 0.00 C ATOM 1018 CG GLU A 64 13.807 0.994 -9.425 1.00 0.00 C ATOM 1019 CD GLU A 64 15.155 0.553 -8.851 1.00 0.00 C ATOM 1020 OE1 GLU A 64 16.084 0.361 -9.666 1.00 0.00 O ATOM 1021 OE2 GLU A 64 15.227 0.416 -7.610 1.00 0.00 O ATOM 0 H GLU A 64 11.657 1.855 -9.855 1.00 0.00 H new ATOM 0 HA GLU A 64 11.339 -0.797 -11.008 1.00 0.00 H new ATOM 0 HB2 GLU A 64 13.723 -1.027 -10.172 1.00 0.00 H new ATOM 0 HB3 GLU A 64 13.450 0.197 -11.397 1.00 0.00 H new ATOM 0 HG2 GLU A 64 13.928 1.932 -9.966 1.00 0.00 H new ATOM 0 HG3 GLU A 64 13.106 1.183 -8.612 1.00 0.00 H new ATOM 1028 N ILE A 65 11.127 -0.194 -7.834 1.00 0.00 N ATOM 1029 CA ILE A 65 10.805 -0.770 -6.540 1.00 0.00 C ATOM 1030 C ILE A 65 9.595 -1.694 -6.684 1.00 0.00 C ATOM 1031 O ILE A 65 9.692 -2.894 -6.430 1.00 0.00 O ATOM 1032 CB ILE A 65 10.616 0.332 -5.495 1.00 0.00 C ATOM 1033 CG1 ILE A 65 11.946 0.691 -4.830 1.00 0.00 C ATOM 1034 CG2 ILE A 65 9.550 -0.061 -4.470 1.00 0.00 C ATOM 1035 CD1 ILE A 65 12.621 -0.552 -4.247 1.00 0.00 C ATOM 0 H ILE A 65 11.118 0.826 -7.861 1.00 0.00 H new ATOM 0 HA ILE A 65 11.632 -1.382 -6.179 1.00 0.00 H new ATOM 0 HB ILE A 65 10.259 1.227 -6.004 1.00 0.00 H new ATOM 0 HG12 ILE A 65 12.607 1.159 -5.560 1.00 0.00 H new ATOM 0 HG13 ILE A 65 11.776 1.421 -4.039 1.00 0.00 H new ATOM 0 HG21 ILE A 65 9.435 0.739 -3.739 1.00 0.00 H new ATOM 0 HG22 ILE A 65 8.600 -0.227 -4.978 1.00 0.00 H new ATOM 0 HG23 ILE A 65 9.854 -0.976 -3.962 1.00 0.00 H new ATOM 0 HD11 ILE A 65 13.564 -0.269 -3.780 1.00 0.00 H new ATOM 0 HD12 ILE A 65 11.968 -1.004 -3.500 1.00 0.00 H new ATOM 0 HD13 ILE A 65 12.812 -1.270 -5.044 1.00 0.00 H new ATOM 1047 N LEU A 66 8.482 -1.101 -7.092 1.00 0.00 N ATOM 1048 CA LEU A 66 7.255 -1.857 -7.273 1.00 0.00 C ATOM 1049 C LEU A 66 7.497 -2.982 -8.281 1.00 0.00 C ATOM 1050 O LEU A 66 7.120 -4.128 -8.041 1.00 0.00 O ATOM 1051 CB LEU A 66 6.104 -0.925 -7.657 1.00 0.00 C ATOM 1052 CG LEU A 66 5.432 -0.177 -6.504 1.00 0.00 C ATOM 1053 CD1 LEU A 66 5.106 -1.128 -5.350 1.00 0.00 C ATOM 1054 CD2 LEU A 66 6.287 1.006 -6.046 1.00 0.00 C ATOM 0 H LEU A 66 8.405 -0.106 -7.302 1.00 0.00 H new ATOM 0 HA LEU A 66 6.956 -2.327 -6.336 1.00 0.00 H new ATOM 0 HB2 LEU A 66 6.480 -0.191 -8.370 1.00 0.00 H new ATOM 0 HB3 LEU A 66 5.345 -1.512 -8.174 1.00 0.00 H new ATOM 0 HG LEU A 66 4.487 0.229 -6.865 1.00 0.00 H new ATOM 0 HD11 LEU A 66 4.629 -0.571 -4.543 1.00 0.00 H new ATOM 0 HD12 LEU A 66 4.431 -1.908 -5.701 1.00 0.00 H new ATOM 0 HD13 LEU A 66 6.026 -1.583 -4.982 1.00 0.00 H new ATOM 0 HD21 LEU A 66 5.787 1.521 -5.226 1.00 0.00 H new ATOM 0 HD22 LEU A 66 7.258 0.644 -5.709 1.00 0.00 H new ATOM 0 HD23 LEU A 66 6.426 1.698 -6.877 1.00 0.00 H new ATOM 1066 N LYS A 67 8.126 -2.615 -9.389 1.00 0.00 N ATOM 1067 CA LYS A 67 8.423 -3.580 -10.434 1.00 0.00 C ATOM 1068 C LYS A 67 9.116 -4.797 -9.818 1.00 0.00 C ATOM 1069 O LYS A 67 8.583 -5.904 -9.857 1.00 0.00 O ATOM 1070 CB LYS A 67 9.224 -2.920 -11.559 1.00 0.00 C ATOM 1071 CG LYS A 67 8.477 -3.012 -12.891 1.00 0.00 C ATOM 1072 CD LYS A 67 9.440 -3.318 -14.040 1.00 0.00 C ATOM 1073 CE LYS A 67 9.768 -2.052 -14.833 1.00 0.00 C ATOM 1074 NZ LYS A 67 10.897 -2.298 -15.758 1.00 0.00 N ATOM 0 H LYS A 67 8.438 -1.664 -9.585 1.00 0.00 H new ATOM 0 HA LYS A 67 7.502 -3.938 -10.895 1.00 0.00 H new ATOM 0 HB2 LYS A 67 9.409 -1.874 -11.313 1.00 0.00 H new ATOM 0 HB3 LYS A 67 10.197 -3.403 -11.649 1.00 0.00 H new ATOM 0 HG2 LYS A 67 7.716 -3.790 -12.832 1.00 0.00 H new ATOM 0 HG3 LYS A 67 7.958 -2.074 -13.087 1.00 0.00 H new ATOM 0 HD2 LYS A 67 10.358 -3.751 -13.644 1.00 0.00 H new ATOM 0 HD3 LYS A 67 8.997 -4.062 -14.702 1.00 0.00 H new ATOM 0 HE2 LYS A 67 8.892 -1.731 -15.396 1.00 0.00 H new ATOM 0 HE3 LYS A 67 10.021 -1.242 -14.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 11.107 -1.429 -16.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 11.736 -2.582 -15.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 10.642 -3.056 -16.423 1.00 0.00 H new ATOM 1088 N ARG A 68 10.293 -4.549 -9.263 1.00 0.00 N ATOM 1089 CA ARG A 68 11.064 -5.611 -8.639 1.00 0.00 C ATOM 1090 C ARG A 68 10.212 -6.348 -7.604 1.00 0.00 C ATOM 1091 O ARG A 68 10.326 -7.563 -7.452 1.00 0.00 O ATOM 1092 CB ARG A 68 12.316 -5.055 -7.957 1.00 0.00 C ATOM 1093 CG ARG A 68 13.532 -5.152 -8.881 1.00 0.00 C ATOM 1094 CD ARG A 68 14.735 -4.420 -8.282 1.00 0.00 C ATOM 1095 NE ARG A 68 15.112 -5.037 -6.991 1.00 0.00 N ATOM 1096 CZ ARG A 68 16.242 -4.758 -6.326 1.00 0.00 C ATOM 1097 NH1 ARG A 68 17.112 -3.870 -6.827 1.00 0.00 N ATOM 1098 NH2 ARG A 68 16.501 -5.367 -5.161 1.00 0.00 N ATOM 0 H ARG A 68 10.732 -3.629 -9.232 1.00 0.00 H new ATOM 0 HA ARG A 68 11.369 -6.304 -9.423 1.00 0.00 H new ATOM 0 HB2 ARG A 68 12.150 -4.015 -7.676 1.00 0.00 H new ATOM 0 HB3 ARG A 68 12.509 -5.607 -7.037 1.00 0.00 H new ATOM 0 HG2 ARG A 68 13.785 -6.199 -9.047 1.00 0.00 H new ATOM 0 HG3 ARG A 68 13.289 -4.725 -9.854 1.00 0.00 H new ATOM 0 HD2 ARG A 68 15.577 -4.461 -8.973 1.00 0.00 H new ATOM 0 HD3 ARG A 68 14.494 -3.367 -8.135 1.00 0.00 H new ATOM 0 HE ARG A 68 14.472 -5.717 -6.581 1.00 0.00 H new ATOM 0 HH11 ARG A 68 16.914 -3.407 -7.714 1.00 0.00 H new ATOM 0 HH12 ARG A 68 17.972 -3.657 -6.321 1.00 0.00 H new ATOM 0 HH21 ARG A 68 15.838 -6.043 -4.780 1.00 0.00 H new ATOM 0 HH22 ARG A 68 17.361 -5.155 -4.655 1.00 0.00 H new ATOM 1112 N MET A 69 9.378 -5.581 -6.917 1.00 0.00 N ATOM 1113 CA MET A 69 8.507 -6.145 -5.900 1.00 0.00 C ATOM 1114 C MET A 69 7.675 -7.297 -6.468 1.00 0.00 C ATOM 1115 O MET A 69 7.717 -8.412 -5.951 1.00 0.00 O ATOM 1116 CB MET A 69 7.574 -5.057 -5.365 1.00 0.00 C ATOM 1117 CG MET A 69 7.594 -5.021 -3.836 1.00 0.00 C ATOM 1118 SD MET A 69 6.160 -4.149 -3.227 1.00 0.00 S ATOM 1119 CE MET A 69 6.957 -2.892 -2.242 1.00 0.00 C ATOM 0 H MET A 69 9.287 -4.573 -7.045 1.00 0.00 H new ATOM 0 HA MET A 69 9.127 -6.533 -5.092 1.00 0.00 H new ATOM 0 HB2 MET A 69 7.877 -4.087 -5.759 1.00 0.00 H new ATOM 0 HB3 MET A 69 6.558 -5.240 -5.715 1.00 0.00 H new ATOM 0 HG2 MET A 69 7.608 -6.037 -3.440 1.00 0.00 H new ATOM 0 HG3 MET A 69 8.503 -4.531 -3.487 1.00 0.00 H new ATOM 0 HE1 MET A 69 6.201 -2.254 -1.785 1.00 0.00 H new ATOM 0 HE2 MET A 69 7.552 -3.365 -1.461 1.00 0.00 H new ATOM 0 HE3 MET A 69 7.605 -2.289 -2.877 1.00 0.00 H new ATOM 1129 N LYS A 70 6.939 -6.987 -7.526 1.00 0.00 N ATOM 1130 CA LYS A 70 6.099 -7.982 -8.170 1.00 0.00 C ATOM 1131 C LYS A 70 6.982 -8.976 -8.926 1.00 0.00 C ATOM 1132 O LYS A 70 6.748 -10.183 -8.876 1.00 0.00 O ATOM 1133 CB LYS A 70 5.043 -7.306 -9.047 1.00 0.00 C ATOM 1134 CG LYS A 70 5.588 -7.036 -10.451 1.00 0.00 C ATOM 1135 CD LYS A 70 5.665 -8.328 -11.267 1.00 0.00 C ATOM 1136 CE LYS A 70 4.836 -8.217 -12.548 1.00 0.00 C ATOM 1137 NZ LYS A 70 5.573 -8.793 -13.694 1.00 0.00 N ATOM 0 H LYS A 70 6.907 -6.061 -7.953 1.00 0.00 H new ATOM 0 HA LYS A 70 5.543 -8.551 -7.425 1.00 0.00 H new ATOM 0 HB2 LYS A 70 4.159 -7.940 -9.112 1.00 0.00 H new ATOM 0 HB3 LYS A 70 4.730 -6.368 -8.588 1.00 0.00 H new ATOM 0 HG2 LYS A 70 4.947 -6.317 -10.962 1.00 0.00 H new ATOM 0 HG3 LYS A 70 6.579 -6.587 -10.380 1.00 0.00 H new ATOM 0 HD2 LYS A 70 6.704 -8.542 -11.519 1.00 0.00 H new ATOM 0 HD3 LYS A 70 5.304 -9.163 -10.667 1.00 0.00 H new ATOM 0 HE2 LYS A 70 3.887 -8.737 -12.420 1.00 0.00 H new ATOM 0 HE3 LYS A 70 4.602 -7.171 -12.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 4.996 -8.709 -14.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 6.467 -8.279 -13.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 5.774 -9.796 -13.508 1.00 0.00 H new ATOM 1151 N VAL A 71 7.978 -8.433 -9.610 1.00 0.00 N ATOM 1152 CA VAL A 71 8.897 -9.257 -10.376 1.00 0.00 C ATOM 1153 C VAL A 71 9.586 -10.251 -9.439 1.00 0.00 C ATOM 1154 O VAL A 71 9.983 -11.336 -9.862 1.00 0.00 O ATOM 1155 CB VAL A 71 9.884 -8.371 -11.138 1.00 0.00 C ATOM 1156 CG1 VAL A 71 10.803 -9.212 -12.026 1.00 0.00 C ATOM 1157 CG2 VAL A 71 9.148 -7.311 -11.960 1.00 0.00 C ATOM 0 H VAL A 71 8.169 -7.432 -9.650 1.00 0.00 H new ATOM 0 HA VAL A 71 8.357 -9.837 -11.125 1.00 0.00 H new ATOM 0 HB VAL A 71 10.505 -7.855 -10.406 1.00 0.00 H new ATOM 0 HG11 VAL A 71 11.495 -8.558 -12.557 1.00 0.00 H new ATOM 0 HG12 VAL A 71 11.366 -9.911 -11.408 1.00 0.00 H new ATOM 0 HG13 VAL A 71 10.203 -9.767 -12.747 1.00 0.00 H new ATOM 0 HG21 VAL A 71 9.873 -6.695 -12.492 1.00 0.00 H new ATOM 0 HG22 VAL A 71 8.491 -7.800 -12.679 1.00 0.00 H new ATOM 0 HG23 VAL A 71 8.555 -6.682 -11.296 1.00 0.00 H new ATOM 1167 N ILE A 72 9.707 -9.846 -8.184 1.00 0.00 N ATOM 1168 CA ILE A 72 10.341 -10.687 -7.183 1.00 0.00 C ATOM 1169 C ILE A 72 9.344 -11.744 -6.705 1.00 0.00 C ATOM 1170 O ILE A 72 9.650 -12.935 -6.702 1.00 0.00 O ATOM 1171 CB ILE A 72 10.921 -9.832 -6.054 1.00 0.00 C ATOM 1172 CG1 ILE A 72 12.222 -9.156 -6.491 1.00 0.00 C ATOM 1173 CG2 ILE A 72 11.105 -10.659 -4.780 1.00 0.00 C ATOM 1174 CD1 ILE A 72 13.415 -10.096 -6.313 1.00 0.00 C ATOM 0 H ILE A 72 9.376 -8.946 -7.837 1.00 0.00 H new ATOM 0 HA ILE A 72 11.188 -11.220 -7.615 1.00 0.00 H new ATOM 0 HB ILE A 72 10.208 -9.040 -5.824 1.00 0.00 H new ATOM 0 HG12 ILE A 72 12.146 -8.853 -7.535 1.00 0.00 H new ATOM 0 HG13 ILE A 72 12.379 -8.249 -5.907 1.00 0.00 H new ATOM 0 HG21 ILE A 72 11.518 -10.028 -3.993 1.00 0.00 H new ATOM 0 HG22 ILE A 72 10.141 -11.053 -4.460 1.00 0.00 H new ATOM 0 HG23 ILE A 72 11.787 -11.486 -4.978 1.00 0.00 H new ATOM 0 HD11 ILE A 72 14.327 -9.591 -6.631 1.00 0.00 H new ATOM 0 HD12 ILE A 72 13.503 -10.377 -5.264 1.00 0.00 H new ATOM 0 HD13 ILE A 72 13.266 -10.991 -6.917 1.00 0.00 H new ATOM 1186 N ASP A 73 8.171 -11.269 -6.312 1.00 0.00 N ATOM 1187 CA ASP A 73 7.126 -12.158 -5.833 1.00 0.00 C ATOM 1188 C ASP A 73 5.807 -11.807 -6.523 1.00 0.00 C ATOM 1189 O ASP A 73 5.453 -10.634 -6.634 1.00 0.00 O ATOM 1190 CB ASP A 73 6.925 -12.008 -4.324 1.00 0.00 C ATOM 1191 CG ASP A 73 7.655 -10.823 -3.688 1.00 0.00 C ATOM 1192 OD1 ASP A 73 7.252 -9.680 -3.991 1.00 0.00 O ATOM 1193 OD2 ASP A 73 8.600 -11.088 -2.914 1.00 0.00 O ATOM 0 H ASP A 73 7.921 -10.280 -6.316 1.00 0.00 H new ATOM 0 HA ASP A 73 7.425 -13.182 -6.057 1.00 0.00 H new ATOM 0 HB2 ASP A 73 5.858 -11.908 -4.123 1.00 0.00 H new ATOM 0 HB3 ASP A 73 7.257 -12.924 -3.836 1.00 0.00 H new ATOM 1198 N GLU A 74 5.115 -12.845 -6.970 1.00 0.00 N ATOM 1199 CA GLU A 74 3.842 -12.660 -7.646 1.00 0.00 C ATOM 1200 C GLU A 74 2.688 -12.794 -6.651 1.00 0.00 C ATOM 1201 O GLU A 74 1.535 -12.531 -6.993 1.00 0.00 O ATOM 1202 CB GLU A 74 3.687 -13.651 -8.802 1.00 0.00 C ATOM 1203 CG GLU A 74 3.145 -14.993 -8.305 1.00 0.00 C ATOM 1204 CD GLU A 74 3.086 -16.016 -9.441 1.00 0.00 C ATOM 1205 OE1 GLU A 74 4.150 -16.240 -10.057 1.00 0.00 O ATOM 1206 OE2 GLU A 74 1.979 -16.550 -9.667 1.00 0.00 O ATOM 0 H GLU A 74 5.412 -13.816 -6.877 1.00 0.00 H new ATOM 0 HA GLU A 74 3.818 -11.655 -8.066 1.00 0.00 H new ATOM 0 HB2 GLU A 74 3.013 -13.238 -9.552 1.00 0.00 H new ATOM 0 HB3 GLU A 74 4.651 -13.802 -9.288 1.00 0.00 H new ATOM 0 HG2 GLU A 74 3.780 -15.371 -7.503 1.00 0.00 H new ATOM 0 HG3 GLU A 74 2.149 -14.854 -7.884 1.00 0.00 H new ATOM 1213 N ASN A 75 3.037 -13.201 -5.439 1.00 0.00 N ATOM 1214 CA ASN A 75 2.044 -13.372 -4.392 1.00 0.00 C ATOM 1215 C ASN A 75 1.970 -12.095 -3.552 1.00 0.00 C ATOM 1216 O ASN A 75 1.080 -11.949 -2.716 1.00 0.00 O ATOM 1217 CB ASN A 75 2.418 -14.528 -3.463 1.00 0.00 C ATOM 1218 CG ASN A 75 1.167 -15.244 -2.948 1.00 0.00 C ATOM 1219 OD1 ASN A 75 0.050 -14.962 -3.349 1.00 0.00 O ATOM 1220 ND2 ASN A 75 1.417 -16.183 -2.041 1.00 0.00 N ATOM 0 H ASN A 75 3.994 -13.417 -5.159 1.00 0.00 H new ATOM 0 HA ASN A 75 1.086 -13.586 -4.867 1.00 0.00 H new ATOM 0 HB2 ASN A 75 3.054 -15.236 -3.995 1.00 0.00 H new ATOM 0 HB3 ASN A 75 2.998 -14.150 -2.621 1.00 0.00 H new ATOM 0 HD21 ASN A 75 0.649 -16.718 -1.636 1.00 0.00 H new ATOM 0 HD22 ASN A 75 2.377 -16.368 -1.750 1.00 0.00 H new ATOM 1227 N ILE A 76 2.917 -11.203 -3.805 1.00 0.00 N ATOM 1228 CA ILE A 76 2.970 -9.943 -3.082 1.00 0.00 C ATOM 1229 C ILE A 76 1.728 -9.115 -3.419 1.00 0.00 C ATOM 1230 O ILE A 76 1.343 -9.012 -4.582 1.00 0.00 O ATOM 1231 CB ILE A 76 4.288 -9.219 -3.365 1.00 0.00 C ATOM 1232 CG1 ILE A 76 4.550 -8.131 -2.321 1.00 0.00 C ATOM 1233 CG2 ILE A 76 4.314 -8.664 -4.790 1.00 0.00 C ATOM 1234 CD1 ILE A 76 5.468 -7.043 -2.882 1.00 0.00 C ATOM 0 H ILE A 76 3.653 -11.328 -4.500 1.00 0.00 H new ATOM 0 HA ILE A 76 2.954 -10.119 -2.006 1.00 0.00 H new ATOM 0 HB ILE A 76 5.099 -9.943 -3.287 1.00 0.00 H new ATOM 0 HG12 ILE A 76 3.605 -7.688 -2.007 1.00 0.00 H new ATOM 0 HG13 ILE A 76 5.004 -8.574 -1.435 1.00 0.00 H new ATOM 0 HG21 ILE A 76 5.262 -8.154 -4.965 1.00 0.00 H new ATOM 0 HG22 ILE A 76 4.206 -9.483 -5.501 1.00 0.00 H new ATOM 0 HG23 ILE A 76 3.493 -7.959 -4.921 1.00 0.00 H new ATOM 0 HD11 ILE A 76 5.638 -6.282 -2.120 1.00 0.00 H new ATOM 0 HD12 ILE A 76 6.421 -7.485 -3.173 1.00 0.00 H new ATOM 0 HD13 ILE A 76 5.000 -6.585 -3.753 1.00 0.00 H new ATOM 1246 N ARG A 77 1.137 -8.545 -2.379 1.00 0.00 N ATOM 1247 CA ARG A 77 -0.053 -7.729 -2.549 1.00 0.00 C ATOM 1248 C ARG A 77 0.199 -6.309 -2.037 1.00 0.00 C ATOM 1249 O ARG A 77 0.336 -6.096 -0.833 1.00 0.00 O ATOM 1250 CB ARG A 77 -1.245 -8.330 -1.802 1.00 0.00 C ATOM 1251 CG ARG A 77 -2.166 -7.232 -1.266 1.00 0.00 C ATOM 1252 CD ARG A 77 -3.605 -7.737 -1.138 1.00 0.00 C ATOM 1253 NE ARG A 77 -3.692 -8.747 -0.059 1.00 0.00 N ATOM 1254 CZ ARG A 77 -3.650 -10.070 -0.264 1.00 0.00 C ATOM 1255 NH1 ARG A 77 -3.521 -10.552 -1.507 1.00 0.00 N ATOM 1256 NH2 ARG A 77 -3.736 -10.912 0.775 1.00 0.00 N ATOM 0 H ARG A 77 1.460 -8.632 -1.416 1.00 0.00 H new ATOM 0 HA ARG A 77 -0.285 -7.699 -3.614 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -1.804 -8.985 -2.470 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -0.888 -8.946 -0.976 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -1.808 -6.894 -0.294 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -2.137 -6.370 -1.933 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -4.274 -6.904 -0.923 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -3.932 -8.172 -2.082 1.00 0.00 H new ATOM 0 HE ARG A 77 -3.790 -8.415 0.900 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -3.455 -9.911 -2.298 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -3.489 -11.560 -1.663 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -3.833 -10.545 1.722 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -3.704 -11.919 0.619 1.00 0.00 H new ATOM 1270 N VAL A 78 0.253 -5.376 -2.976 1.00 0.00 N ATOM 1271 CA VAL A 78 0.486 -3.983 -2.634 1.00 0.00 C ATOM 1272 C VAL A 78 -0.361 -3.091 -3.543 1.00 0.00 C ATOM 1273 O VAL A 78 -0.737 -3.497 -4.642 1.00 0.00 O ATOM 1274 CB VAL A 78 1.981 -3.669 -2.711 1.00 0.00 C ATOM 1275 CG1 VAL A 78 2.250 -2.199 -2.381 1.00 0.00 C ATOM 1276 CG2 VAL A 78 2.785 -4.593 -1.794 1.00 0.00 C ATOM 0 H VAL A 78 0.139 -5.557 -3.973 1.00 0.00 H new ATOM 0 HA VAL A 78 0.179 -3.785 -1.607 1.00 0.00 H new ATOM 0 HB VAL A 78 2.308 -3.848 -3.735 1.00 0.00 H new ATOM 0 HG11 VAL A 78 3.320 -2.002 -2.443 1.00 0.00 H new ATOM 0 HG12 VAL A 78 1.722 -1.564 -3.093 1.00 0.00 H new ATOM 0 HG13 VAL A 78 1.899 -1.982 -1.372 1.00 0.00 H new ATOM 0 HG21 VAL A 78 3.844 -4.348 -1.869 1.00 0.00 H new ATOM 0 HG22 VAL A 78 2.454 -4.461 -0.764 1.00 0.00 H new ATOM 0 HG23 VAL A 78 2.630 -5.629 -2.095 1.00 0.00 H new ATOM 1286 N ILE A 79 -0.635 -1.891 -3.052 1.00 0.00 N ATOM 1287 CA ILE A 79 -1.431 -0.938 -3.807 1.00 0.00 C ATOM 1288 C ILE A 79 -0.601 0.322 -4.063 1.00 0.00 C ATOM 1289 O ILE A 79 0.170 0.747 -3.204 1.00 0.00 O ATOM 1290 CB ILE A 79 -2.758 -0.666 -3.097 1.00 0.00 C ATOM 1291 CG1 ILE A 79 -3.834 -1.657 -3.548 1.00 0.00 C ATOM 1292 CG2 ILE A 79 -3.198 0.786 -3.293 1.00 0.00 C ATOM 1293 CD1 ILE A 79 -5.228 -1.176 -3.138 1.00 0.00 C ATOM 0 H ILE A 79 -0.320 -1.557 -2.141 1.00 0.00 H new ATOM 0 HA ILE A 79 -1.696 -1.350 -4.781 1.00 0.00 H new ATOM 0 HB ILE A 79 -2.610 -0.815 -2.027 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -3.791 -1.779 -4.630 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -3.639 -2.636 -3.109 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -4.144 0.952 -2.778 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -2.440 1.454 -2.884 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -3.324 0.988 -4.357 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -5.974 -1.898 -3.470 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -5.275 -1.079 -2.053 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -5.429 -0.209 -3.598 1.00 0.00 H new ATOM 1305 N ILE A 80 -0.788 0.884 -5.248 1.00 0.00 N ATOM 1306 CA ILE A 80 -0.067 2.087 -5.628 1.00 0.00 C ATOM 1307 C ILE A 80 -0.967 3.305 -5.414 1.00 0.00 C ATOM 1308 O ILE A 80 -2.191 3.190 -5.444 1.00 0.00 O ATOM 1309 CB ILE A 80 0.470 1.962 -7.056 1.00 0.00 C ATOM 1310 CG1 ILE A 80 -0.630 2.245 -8.081 1.00 0.00 C ATOM 1311 CG2 ILE A 80 1.124 0.596 -7.278 1.00 0.00 C ATOM 1312 CD1 ILE A 80 -0.958 3.738 -8.135 1.00 0.00 C ATOM 0 H ILE A 80 -1.428 0.529 -5.958 1.00 0.00 H new ATOM 0 HA ILE A 80 0.809 2.222 -4.994 1.00 0.00 H new ATOM 0 HB ILE A 80 1.244 2.716 -7.198 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -0.311 1.903 -9.066 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -1.526 1.681 -7.823 1.00 0.00 H new ATOM 0 HG21 ILE A 80 1.497 0.533 -8.300 1.00 0.00 H new ATOM 0 HG22 ILE A 80 1.953 0.472 -6.581 1.00 0.00 H new ATOM 0 HG23 ILE A 80 0.388 -0.191 -7.111 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -1.743 3.912 -8.871 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -1.300 4.071 -7.155 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -0.066 4.297 -8.417 1.00 0.00 H new ATOM 1324 N MET A 81 -0.326 4.446 -5.204 1.00 0.00 N ATOM 1325 CA MET A 81 -1.053 5.684 -4.985 1.00 0.00 C ATOM 1326 C MET A 81 -0.369 6.854 -5.695 1.00 0.00 C ATOM 1327 O MET A 81 0.819 7.099 -5.492 1.00 0.00 O ATOM 1328 CB MET A 81 -1.131 5.972 -3.485 1.00 0.00 C ATOM 1329 CG MET A 81 -0.671 4.762 -2.669 1.00 0.00 C ATOM 1330 SD MET A 81 -1.041 5.014 -0.941 1.00 0.00 S ATOM 1331 CE MET A 81 0.558 5.548 -0.356 1.00 0.00 C ATOM 0 H MET A 81 0.690 4.538 -5.181 1.00 0.00 H new ATOM 0 HA MET A 81 -2.057 5.571 -5.395 1.00 0.00 H new ATOM 0 HB2 MET A 81 -0.510 6.835 -3.244 1.00 0.00 H new ATOM 0 HB3 MET A 81 -2.155 6.230 -3.214 1.00 0.00 H new ATOM 0 HG2 MET A 81 -1.168 3.861 -3.028 1.00 0.00 H new ATOM 0 HG3 MET A 81 0.400 4.610 -2.802 1.00 0.00 H new ATOM 0 HE1 MET A 81 0.477 5.868 0.683 1.00 0.00 H new ATOM 0 HE2 MET A 81 1.266 4.722 -0.427 1.00 0.00 H new ATOM 0 HE3 MET A 81 0.909 6.380 -0.966 1.00 0.00 H new ATOM 1341 N THR A 82 -1.149 7.546 -6.513 1.00 0.00 N ATOM 1342 CA THR A 82 -0.633 8.685 -7.254 1.00 0.00 C ATOM 1343 C THR A 82 -1.732 9.295 -8.126 1.00 0.00 C ATOM 1344 O THR A 82 -2.671 8.605 -8.522 1.00 0.00 O ATOM 1345 CB THR A 82 0.586 8.217 -8.051 1.00 0.00 C ATOM 1346 OG1 THR A 82 0.731 9.200 -9.072 1.00 0.00 O ATOM 1347 CG2 THR A 82 0.322 6.920 -8.818 1.00 0.00 C ATOM 0 H THR A 82 -2.134 7.340 -6.679 1.00 0.00 H new ATOM 0 HA THR A 82 -0.314 9.482 -6.583 1.00 0.00 H new ATOM 0 HB THR A 82 1.428 8.073 -7.374 1.00 0.00 H new ATOM 0 HG1 THR A 82 1.275 8.836 -9.801 1.00 0.00 H new ATOM 0 HG21 THR A 82 1.219 6.633 -9.366 1.00 0.00 H new ATOM 0 HG22 THR A 82 0.057 6.130 -8.116 1.00 0.00 H new ATOM 0 HG23 THR A 82 -0.498 7.073 -9.519 1.00 0.00 H new ATOM 1355 N ALA A 83 -1.579 10.582 -8.401 1.00 0.00 N ATOM 1356 CA ALA A 83 -2.546 11.293 -9.219 1.00 0.00 C ATOM 1357 C ALA A 83 -2.685 10.584 -10.568 1.00 0.00 C ATOM 1358 O ALA A 83 -1.788 9.852 -10.984 1.00 0.00 O ATOM 1359 CB ALA A 83 -2.113 12.753 -9.369 1.00 0.00 C ATOM 0 H ALA A 83 -0.799 11.151 -8.071 1.00 0.00 H new ATOM 0 HA ALA A 83 -3.527 11.292 -8.743 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -2.839 13.286 -9.983 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -2.058 13.219 -8.385 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -1.134 12.795 -9.846 1.00 0.00 H new ATOM 1365 N TYR A 84 -3.816 10.827 -11.214 1.00 0.00 N ATOM 1366 CA TYR A 84 -4.084 10.221 -12.508 1.00 0.00 C ATOM 1367 C TYR A 84 -3.453 11.038 -13.637 1.00 0.00 C ATOM 1368 O TYR A 84 -4.066 11.233 -14.685 1.00 0.00 O ATOM 1369 CB TYR A 84 -5.605 10.236 -12.673 1.00 0.00 C ATOM 1370 CG TYR A 84 -6.240 11.613 -12.470 1.00 0.00 C ATOM 1371 CD1 TYR A 84 -6.360 12.481 -13.536 1.00 0.00 C ATOM 1372 CD2 TYR A 84 -6.693 11.986 -11.221 1.00 0.00 C ATOM 1373 CE1 TYR A 84 -6.958 13.777 -13.345 1.00 0.00 C ATOM 1374 CE2 TYR A 84 -7.291 13.283 -11.030 1.00 0.00 C ATOM 1375 CZ TYR A 84 -7.394 14.114 -12.102 1.00 0.00 C ATOM 1376 OH TYR A 84 -7.958 15.338 -11.921 1.00 0.00 O ATOM 0 H TYR A 84 -4.557 11.435 -10.866 1.00 0.00 H new ATOM 0 HA TYR A 84 -3.668 9.215 -12.554 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -5.855 9.875 -13.671 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -6.044 9.536 -11.962 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -6.006 12.188 -14.513 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -6.599 11.306 -10.387 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -7.058 14.466 -14.171 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -7.649 13.588 -10.058 1.00 0.00 H new ATOM 0 HH TYR A 84 -8.223 15.440 -10.983 1.00 0.00 H new ATOM 1386 N GLY A 85 -2.234 11.493 -13.385 1.00 0.00 N ATOM 1387 CA GLY A 85 -1.513 12.284 -14.367 1.00 0.00 C ATOM 1388 C GLY A 85 -0.430 11.450 -15.055 1.00 0.00 C ATOM 1389 O GLY A 85 -0.126 11.666 -16.227 1.00 0.00 O ATOM 0 H GLY A 85 -1.728 11.329 -12.515 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -2.210 12.668 -15.112 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -1.058 13.147 -13.881 1.00 0.00 H new ATOM 1393 N GLU A 86 0.121 10.514 -14.297 1.00 0.00 N ATOM 1394 CA GLU A 86 1.163 9.646 -14.819 1.00 0.00 C ATOM 1395 C GLU A 86 0.604 8.247 -15.087 1.00 0.00 C ATOM 1396 O GLU A 86 1.159 7.253 -14.621 1.00 0.00 O ATOM 1397 CB GLU A 86 2.356 9.585 -13.862 1.00 0.00 C ATOM 1398 CG GLU A 86 1.895 9.328 -12.426 1.00 0.00 C ATOM 1399 CD GLU A 86 3.052 8.822 -11.562 1.00 0.00 C ATOM 1400 OE1 GLU A 86 4.160 9.381 -11.712 1.00 0.00 O ATOM 1401 OE2 GLU A 86 2.802 7.887 -10.771 1.00 0.00 O ATOM 0 H GLU A 86 -0.134 10.337 -13.325 1.00 0.00 H new ATOM 0 HA GLU A 86 1.516 10.062 -15.763 1.00 0.00 H new ATOM 0 HB2 GLU A 86 3.038 8.795 -14.176 1.00 0.00 H new ATOM 0 HB3 GLU A 86 2.911 10.522 -13.907 1.00 0.00 H new ATOM 0 HG2 GLU A 86 1.492 10.247 -11.999 1.00 0.00 H new ATOM 0 HG3 GLU A 86 1.088 8.595 -12.425 1.00 0.00 H new ATOM 1408 N LEU A 87 -0.487 8.215 -15.837 1.00 0.00 N ATOM 1409 CA LEU A 87 -1.128 6.955 -16.173 1.00 0.00 C ATOM 1410 C LEU A 87 -0.062 5.947 -16.609 1.00 0.00 C ATOM 1411 O LEU A 87 -0.141 4.768 -16.267 1.00 0.00 O ATOM 1412 CB LEU A 87 -2.229 7.173 -17.212 1.00 0.00 C ATOM 1413 CG LEU A 87 -3.343 8.144 -16.814 1.00 0.00 C ATOM 1414 CD1 LEU A 87 -3.828 8.947 -18.023 1.00 0.00 C ATOM 1415 CD2 LEU A 87 -4.489 7.409 -16.117 1.00 0.00 C ATOM 0 H LEU A 87 -0.944 9.042 -16.222 1.00 0.00 H new ATOM 0 HA LEU A 87 -1.626 6.536 -15.299 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -1.768 7.537 -18.130 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -2.680 6.208 -17.442 1.00 0.00 H new ATOM 0 HG LEU A 87 -2.935 8.856 -16.097 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -4.619 9.629 -17.713 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -2.997 9.519 -18.437 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -4.213 8.266 -18.782 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -5.267 8.123 -15.845 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -4.904 6.659 -16.791 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -4.114 6.920 -15.218 1.00 0.00 H new ATOM 1427 N ASP A 88 0.909 6.448 -17.359 1.00 0.00 N ATOM 1428 CA ASP A 88 1.988 5.606 -17.845 1.00 0.00 C ATOM 1429 C ASP A 88 2.487 4.714 -16.706 1.00 0.00 C ATOM 1430 O ASP A 88 2.613 3.502 -16.872 1.00 0.00 O ATOM 1431 CB ASP A 88 3.167 6.449 -18.336 1.00 0.00 C ATOM 1432 CG ASP A 88 3.707 6.066 -19.715 1.00 0.00 C ATOM 1433 OD1 ASP A 88 4.140 4.901 -19.851 1.00 0.00 O ATOM 1434 OD2 ASP A 88 3.675 6.946 -20.602 1.00 0.00 O ATOM 0 H ASP A 88 0.971 7.426 -17.642 1.00 0.00 H new ATOM 0 HA ASP A 88 1.603 5.009 -18.671 1.00 0.00 H new ATOM 0 HB2 ASP A 88 2.861 7.495 -18.360 1.00 0.00 H new ATOM 0 HB3 ASP A 88 3.977 6.371 -17.611 1.00 0.00 H new ATOM 1439 N MET A 89 2.758 5.349 -15.576 1.00 0.00 N ATOM 1440 CA MET A 89 3.240 4.629 -14.409 1.00 0.00 C ATOM 1441 C MET A 89 2.144 3.736 -13.825 1.00 0.00 C ATOM 1442 O MET A 89 2.343 2.534 -13.653 1.00 0.00 O ATOM 1443 CB MET A 89 3.705 5.628 -13.348 1.00 0.00 C ATOM 1444 CG MET A 89 3.974 4.927 -12.015 1.00 0.00 C ATOM 1445 SD MET A 89 5.439 3.916 -12.142 1.00 0.00 S ATOM 1446 CE MET A 89 6.002 3.971 -10.449 1.00 0.00 C ATOM 0 H MET A 89 2.653 6.355 -15.443 1.00 0.00 H new ATOM 0 HA MET A 89 4.074 3.997 -14.714 1.00 0.00 H new ATOM 0 HB2 MET A 89 4.611 6.130 -13.688 1.00 0.00 H new ATOM 0 HB3 MET A 89 2.946 6.398 -13.211 1.00 0.00 H new ATOM 0 HG2 MET A 89 4.100 5.667 -11.225 1.00 0.00 H new ATOM 0 HG3 MET A 89 3.119 4.310 -11.740 1.00 0.00 H new ATOM 0 HE1 MET A 89 7.088 3.883 -10.424 1.00 0.00 H new ATOM 0 HE2 MET A 89 5.704 4.917 -9.997 1.00 0.00 H new ATOM 0 HE3 MET A 89 5.558 3.146 -9.891 1.00 0.00 H new ATOM 1456 N ILE A 90 1.010 4.357 -13.536 1.00 0.00 N ATOM 1457 CA ILE A 90 -0.118 3.634 -12.974 1.00 0.00 C ATOM 1458 C ILE A 90 -0.316 2.328 -13.746 1.00 0.00 C ATOM 1459 O ILE A 90 -0.588 1.286 -13.151 1.00 0.00 O ATOM 1460 CB ILE A 90 -1.362 4.523 -12.941 1.00 0.00 C ATOM 1461 CG1 ILE A 90 -1.172 5.697 -11.978 1.00 0.00 C ATOM 1462 CG2 ILE A 90 -2.612 3.705 -12.608 1.00 0.00 C ATOM 1463 CD1 ILE A 90 -1.460 7.029 -12.674 1.00 0.00 C ATOM 0 H ILE A 90 0.848 5.354 -13.681 1.00 0.00 H new ATOM 0 HA ILE A 90 0.081 3.365 -11.936 1.00 0.00 H new ATOM 0 HB ILE A 90 -1.508 4.943 -13.936 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -1.835 5.580 -11.121 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -0.152 5.696 -11.595 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -3.482 4.361 -12.591 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -2.754 2.933 -13.365 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -2.491 3.237 -11.631 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -1.318 7.847 -11.968 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -0.779 7.154 -13.516 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -2.489 7.036 -13.035 1.00 0.00 H new ATOM 1475 N GLN A 91 -0.171 2.426 -15.059 1.00 0.00 N ATOM 1476 CA GLN A 91 -0.331 1.265 -15.918 1.00 0.00 C ATOM 1477 C GLN A 91 0.722 0.207 -15.582 1.00 0.00 C ATOM 1478 O GLN A 91 0.396 -0.967 -15.415 1.00 0.00 O ATOM 1479 CB GLN A 91 -0.258 1.661 -17.394 1.00 0.00 C ATOM 1480 CG GLN A 91 -1.656 1.900 -17.968 1.00 0.00 C ATOM 1481 CD GLN A 91 -1.964 0.908 -19.092 1.00 0.00 C ATOM 1482 OE1 GLN A 91 -2.183 -0.271 -18.871 1.00 0.00 O ATOM 1483 NE2 GLN A 91 -1.968 1.451 -20.306 1.00 0.00 N ATOM 0 H GLN A 91 0.056 3.291 -15.549 1.00 0.00 H new ATOM 0 HA GLN A 91 -1.318 0.838 -15.738 1.00 0.00 H new ATOM 0 HB2 GLN A 91 0.343 2.564 -17.503 1.00 0.00 H new ATOM 0 HB3 GLN A 91 0.242 0.875 -17.961 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -2.400 1.801 -17.177 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -1.728 2.919 -18.348 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -1.776 2.446 -20.420 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -2.163 0.872 -21.123 1.00 0.00 H new ATOM 1492 N GLU A 92 1.964 0.661 -15.492 1.00 0.00 N ATOM 1493 CA GLU A 92 3.066 -0.232 -15.179 1.00 0.00 C ATOM 1494 C GLU A 92 2.922 -0.775 -13.756 1.00 0.00 C ATOM 1495 O GLU A 92 3.498 -1.808 -13.420 1.00 0.00 O ATOM 1496 CB GLU A 92 4.412 0.473 -15.363 1.00 0.00 C ATOM 1497 CG GLU A 92 5.257 -0.229 -16.428 1.00 0.00 C ATOM 1498 CD GLU A 92 6.024 0.788 -17.276 1.00 0.00 C ATOM 1499 OE1 GLU A 92 6.848 1.516 -16.683 1.00 0.00 O ATOM 1500 OE2 GLU A 92 5.768 0.813 -18.500 1.00 0.00 O ATOM 0 H GLU A 92 2.231 1.636 -15.630 1.00 0.00 H new ATOM 0 HA GLU A 92 3.035 -1.072 -15.872 1.00 0.00 H new ATOM 0 HB2 GLU A 92 4.247 1.511 -15.651 1.00 0.00 H new ATOM 0 HB3 GLU A 92 4.952 0.487 -14.416 1.00 0.00 H new ATOM 0 HG2 GLU A 92 5.959 -0.912 -15.949 1.00 0.00 H new ATOM 0 HG3 GLU A 92 4.614 -0.831 -17.069 1.00 0.00 H new ATOM 1507 N SER A 93 2.149 -0.053 -12.957 1.00 0.00 N ATOM 1508 CA SER A 93 1.921 -0.449 -11.578 1.00 0.00 C ATOM 1509 C SER A 93 0.837 -1.527 -11.515 1.00 0.00 C ATOM 1510 O SER A 93 1.031 -2.573 -10.898 1.00 0.00 O ATOM 1511 CB SER A 93 1.526 0.752 -10.717 1.00 0.00 C ATOM 1512 OG SER A 93 1.697 1.985 -11.411 1.00 0.00 O ATOM 0 H SER A 93 1.673 0.804 -13.239 1.00 0.00 H new ATOM 0 HA SER A 93 2.852 -0.855 -11.181 1.00 0.00 H new ATOM 0 HB2 SER A 93 0.485 0.651 -10.409 1.00 0.00 H new ATOM 0 HB3 SER A 93 2.128 0.761 -9.808 1.00 0.00 H new ATOM 0 HG SER A 93 2.408 1.889 -12.078 1.00 0.00 H new ATOM 1518 N LYS A 94 -0.282 -1.234 -12.162 1.00 0.00 N ATOM 1519 CA LYS A 94 -1.397 -2.165 -12.188 1.00 0.00 C ATOM 1520 C LYS A 94 -0.968 -3.449 -12.900 1.00 0.00 C ATOM 1521 O LYS A 94 -1.028 -4.533 -12.322 1.00 0.00 O ATOM 1522 CB LYS A 94 -2.632 -1.504 -12.803 1.00 0.00 C ATOM 1523 CG LYS A 94 -2.430 -1.249 -14.298 1.00 0.00 C ATOM 1524 CD LYS A 94 -3.562 -0.390 -14.866 1.00 0.00 C ATOM 1525 CE LYS A 94 -3.994 -0.893 -16.244 1.00 0.00 C ATOM 1526 NZ LYS A 94 -4.726 0.164 -16.976 1.00 0.00 N ATOM 0 H LYS A 94 -0.440 -0.365 -12.672 1.00 0.00 H new ATOM 0 HA LYS A 94 -1.684 -2.444 -11.174 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -3.503 -2.142 -12.654 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -2.836 -0.562 -12.294 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -1.474 -0.750 -14.460 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -2.388 -2.199 -14.830 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -4.413 -0.408 -14.185 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -3.234 0.647 -14.940 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -3.119 -1.200 -16.816 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -4.628 -1.773 -16.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -4.561 0.057 -17.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -5.744 0.081 -16.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -4.389 1.098 -16.667 1.00 0.00 H new ATOM 1540 N GLU A 95 -0.544 -3.285 -14.145 1.00 0.00 N ATOM 1541 CA GLU A 95 -0.105 -4.417 -14.942 1.00 0.00 C ATOM 1542 C GLU A 95 1.019 -5.167 -14.224 1.00 0.00 C ATOM 1543 O GLU A 95 1.300 -6.323 -14.540 1.00 0.00 O ATOM 1544 CB GLU A 95 0.338 -3.968 -16.336 1.00 0.00 C ATOM 1545 CG GLU A 95 1.515 -4.809 -16.835 1.00 0.00 C ATOM 1546 CD GLU A 95 1.083 -6.254 -17.098 1.00 0.00 C ATOM 1547 OE1 GLU A 95 -0.101 -6.436 -17.454 1.00 0.00 O ATOM 1548 OE2 GLU A 95 1.947 -7.142 -16.937 1.00 0.00 O ATOM 0 H GLU A 95 -0.495 -2.384 -14.621 1.00 0.00 H new ATOM 0 HA GLU A 95 -0.948 -5.097 -15.067 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -0.496 -4.055 -17.032 1.00 0.00 H new ATOM 0 HB3 GLU A 95 0.623 -2.916 -16.310 1.00 0.00 H new ATOM 0 HG2 GLU A 95 1.916 -4.373 -17.750 1.00 0.00 H new ATOM 0 HG3 GLU A 95 2.317 -4.794 -16.097 1.00 0.00 H new ATOM 1555 N LEU A 96 1.633 -4.479 -13.272 1.00 0.00 N ATOM 1556 CA LEU A 96 2.720 -5.066 -12.507 1.00 0.00 C ATOM 1557 C LEU A 96 2.178 -6.219 -11.661 1.00 0.00 C ATOM 1558 O LEU A 96 2.940 -7.069 -11.203 1.00 0.00 O ATOM 1559 CB LEU A 96 3.443 -3.991 -11.693 1.00 0.00 C ATOM 1560 CG LEU A 96 4.912 -3.756 -12.046 1.00 0.00 C ATOM 1561 CD1 LEU A 96 5.128 -3.815 -13.560 1.00 0.00 C ATOM 1562 CD2 LEU A 96 5.418 -2.443 -11.446 1.00 0.00 C ATOM 0 H LEU A 96 1.398 -3.521 -13.013 1.00 0.00 H new ATOM 0 HA LEU A 96 3.472 -5.487 -13.174 1.00 0.00 H new ATOM 0 HB2 LEU A 96 2.906 -3.050 -11.814 1.00 0.00 H new ATOM 0 HB3 LEU A 96 3.382 -4.260 -10.638 1.00 0.00 H new ATOM 0 HG LEU A 96 5.502 -4.559 -11.604 1.00 0.00 H new ATOM 0 HD11 LEU A 96 6.181 -3.645 -13.784 1.00 0.00 H new ATOM 0 HD12 LEU A 96 4.832 -4.796 -13.932 1.00 0.00 H new ATOM 0 HD13 LEU A 96 4.525 -3.046 -14.044 1.00 0.00 H new ATOM 0 HD21 LEU A 96 6.465 -2.301 -11.713 1.00 0.00 H new ATOM 0 HD22 LEU A 96 4.828 -1.613 -11.836 1.00 0.00 H new ATOM 0 HD23 LEU A 96 5.321 -2.478 -10.361 1.00 0.00 H new ATOM 1574 N GLY A 97 0.866 -6.211 -11.478 1.00 0.00 N ATOM 1575 CA GLY A 97 0.213 -7.246 -10.694 1.00 0.00 C ATOM 1576 C GLY A 97 -0.245 -6.701 -9.340 1.00 0.00 C ATOM 1577 O GLY A 97 -0.379 -7.454 -8.377 1.00 0.00 O ATOM 0 H GLY A 97 0.237 -5.504 -11.859 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -0.645 -7.636 -11.242 1.00 0.00 H new ATOM 0 HA3 GLY A 97 0.899 -8.079 -10.541 1.00 0.00 H new ATOM 1581 N ALA A 98 -0.474 -5.396 -9.310 1.00 0.00 N ATOM 1582 CA ALA A 98 -0.914 -4.742 -8.090 1.00 0.00 C ATOM 1583 C ALA A 98 -2.417 -4.965 -7.910 1.00 0.00 C ATOM 1584 O ALA A 98 -3.117 -5.298 -8.865 1.00 0.00 O ATOM 1585 CB ALA A 98 -0.548 -3.257 -8.145 1.00 0.00 C ATOM 0 H ALA A 98 -0.363 -4.774 -10.111 1.00 0.00 H new ATOM 0 HA ALA A 98 -0.411 -5.170 -7.223 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -0.878 -2.767 -7.229 1.00 0.00 H new ATOM 0 HB2 ALA A 98 0.532 -3.152 -8.243 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -1.037 -2.793 -9.002 1.00 0.00 H new ATOM 1591 N LEU A 99 -2.869 -4.773 -6.680 1.00 0.00 N ATOM 1592 CA LEU A 99 -4.276 -4.949 -6.363 1.00 0.00 C ATOM 1593 C LEU A 99 -5.104 -3.936 -7.156 1.00 0.00 C ATOM 1594 O LEU A 99 -6.113 -4.292 -7.762 1.00 0.00 O ATOM 1595 CB LEU A 99 -4.498 -4.876 -4.851 1.00 0.00 C ATOM 1596 CG LEU A 99 -3.896 -6.017 -4.028 1.00 0.00 C ATOM 1597 CD1 LEU A 99 -4.657 -7.323 -4.264 1.00 0.00 C ATOM 1598 CD2 LEU A 99 -2.400 -6.167 -4.311 1.00 0.00 C ATOM 0 H LEU A 99 -2.285 -4.497 -5.890 1.00 0.00 H new ATOM 0 HA LEU A 99 -4.613 -5.941 -6.664 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -4.084 -3.935 -4.488 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -5.571 -4.846 -4.663 1.00 0.00 H new ATOM 0 HG LEU A 99 -4.001 -5.769 -2.972 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -4.209 -8.118 -3.668 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -5.700 -7.194 -3.973 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -4.605 -7.589 -5.320 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -1.997 -6.985 -3.713 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -2.250 -6.382 -5.369 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -1.886 -5.241 -4.053 1.00 0.00 H new ATOM 1610 N THR A 100 -4.646 -2.693 -7.126 1.00 0.00 N ATOM 1611 CA THR A 100 -5.331 -1.625 -7.835 1.00 0.00 C ATOM 1612 C THR A 100 -4.531 -0.325 -7.743 1.00 0.00 C ATOM 1613 O THR A 100 -3.559 -0.241 -6.994 1.00 0.00 O ATOM 1614 CB THR A 100 -6.745 -1.510 -7.262 1.00 0.00 C ATOM 1615 OG1 THR A 100 -7.290 -0.364 -7.911 1.00 0.00 O ATOM 1616 CG2 THR A 100 -6.748 -1.136 -5.779 1.00 0.00 C ATOM 0 H THR A 100 -3.809 -2.401 -6.622 1.00 0.00 H new ATOM 0 HA THR A 100 -5.412 -1.845 -8.900 1.00 0.00 H new ATOM 0 HB THR A 100 -7.270 -2.456 -7.398 1.00 0.00 H new ATOM 0 HG1 THR A 100 -8.207 -0.217 -7.599 1.00 0.00 H new ATOM 0 HG21 THR A 100 -7.776 -1.068 -5.423 1.00 0.00 H new ATOM 0 HG22 THR A 100 -6.217 -1.899 -5.210 1.00 0.00 H new ATOM 0 HG23 THR A 100 -6.253 -0.174 -5.645 1.00 0.00 H new ATOM 1624 N HIS A 101 -4.969 0.658 -8.516 1.00 0.00 N ATOM 1625 CA HIS A 101 -4.306 1.951 -8.531 1.00 0.00 C ATOM 1626 C HIS A 101 -5.303 3.044 -8.142 1.00 0.00 C ATOM 1627 O HIS A 101 -6.353 3.183 -8.768 1.00 0.00 O ATOM 1628 CB HIS A 101 -3.645 2.206 -9.887 1.00 0.00 C ATOM 1629 CG HIS A 101 -4.599 2.146 -11.056 1.00 0.00 C ATOM 1630 ND1 HIS A 101 -5.329 3.127 -11.662 1.00 0.00 N flip ATOM 1631 CD2 HIS A 101 -4.886 0.972 -11.730 1.00 0.00 C flip ATOM 1632 CE1 HIS A 101 -6.023 2.581 -12.654 1.00 0.00 C flip ATOM 1633 NE2 HIS A 101 -5.750 1.245 -12.697 1.00 0.00 N flip ATOM 0 H HIS A 101 -5.775 0.585 -9.137 1.00 0.00 H new ATOM 0 HA HIS A 101 -3.504 1.961 -7.793 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -3.169 3.187 -9.869 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -2.854 1.471 -10.038 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -4.476 -0.002 -11.506 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -6.693 3.108 -13.317 1.00 0.00 H new ATOM 0 HE2 HIS A 101 -6.142 0.574 -13.358 1.00 0.00 H new ATOM 1641 N PHE A 102 -4.939 3.792 -7.110 1.00 0.00 N ATOM 1642 CA PHE A 102 -5.789 4.868 -6.630 1.00 0.00 C ATOM 1643 C PHE A 102 -5.228 6.233 -7.037 1.00 0.00 C ATOM 1644 O PHE A 102 -4.032 6.365 -7.290 1.00 0.00 O ATOM 1645 CB PHE A 102 -5.811 4.774 -5.103 1.00 0.00 C ATOM 1646 CG PHE A 102 -6.396 3.465 -4.569 1.00 0.00 C ATOM 1647 CD1 PHE A 102 -7.400 2.844 -5.244 1.00 0.00 C ATOM 1648 CD2 PHE A 102 -5.913 2.923 -3.420 1.00 0.00 C ATOM 1649 CE1 PHE A 102 -7.944 1.629 -4.749 1.00 0.00 C ATOM 1650 CE2 PHE A 102 -6.456 1.708 -2.924 1.00 0.00 C ATOM 1651 CZ PHE A 102 -7.460 1.087 -3.599 1.00 0.00 C ATOM 0 H PHE A 102 -4.067 3.674 -6.594 1.00 0.00 H new ATOM 0 HA PHE A 102 -6.787 4.773 -7.058 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -4.794 4.885 -4.728 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -6.390 5.608 -4.706 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -7.784 3.275 -6.157 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -5.116 3.417 -2.884 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -8.741 1.136 -5.285 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -6.072 1.277 -2.011 1.00 0.00 H new ATOM 0 HZ PHE A 102 -7.873 0.163 -3.222 1.00 0.00 H new ATOM 1661 N ALA A 103 -6.119 7.212 -7.088 1.00 0.00 N ATOM 1662 CA ALA A 103 -5.728 8.561 -7.460 1.00 0.00 C ATOM 1663 C ALA A 103 -5.612 9.419 -6.198 1.00 0.00 C ATOM 1664 O ALA A 103 -6.356 9.223 -5.239 1.00 0.00 O ATOM 1665 CB ALA A 103 -6.737 9.128 -8.460 1.00 0.00 C ATOM 0 H ALA A 103 -7.111 7.098 -6.878 1.00 0.00 H new ATOM 0 HA ALA A 103 -4.753 8.558 -7.948 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -6.443 10.140 -8.739 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -6.760 8.499 -9.350 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -7.727 9.150 -8.005 1.00 0.00 H new ATOM 1671 N LYS A 104 -4.673 10.353 -6.241 1.00 0.00 N ATOM 1672 CA LYS A 104 -4.450 11.243 -5.114 1.00 0.00 C ATOM 1673 C LYS A 104 -5.776 11.481 -4.388 1.00 0.00 C ATOM 1674 O LYS A 104 -5.896 11.196 -3.198 1.00 0.00 O ATOM 1675 CB LYS A 104 -3.761 12.529 -5.574 1.00 0.00 C ATOM 1676 CG LYS A 104 -2.339 12.619 -5.016 1.00 0.00 C ATOM 1677 CD LYS A 104 -1.485 13.580 -5.845 1.00 0.00 C ATOM 1678 CE LYS A 104 -1.903 15.032 -5.606 1.00 0.00 C ATOM 1679 NZ LYS A 104 -0.817 15.779 -4.933 1.00 0.00 N ATOM 0 H LYS A 104 -4.058 10.513 -7.039 1.00 0.00 H new ATOM 0 HA LYS A 104 -3.770 10.785 -4.396 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -3.731 12.560 -6.663 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -4.339 13.393 -5.246 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -2.372 12.957 -3.980 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -1.882 11.630 -5.014 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -0.434 13.453 -5.586 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -1.584 13.339 -6.903 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -2.146 15.508 -6.556 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -2.805 15.061 -4.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -1.117 16.763 -4.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -0.605 15.333 -4.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 0.035 15.766 -5.530 1.00 0.00 H new ATOM 1693 N PRO A 105 -6.763 12.015 -5.155 1.00 0.00 N ATOM 1694 CA PRO A 105 -8.075 12.295 -4.598 1.00 0.00 C ATOM 1695 C PRO A 105 -8.876 11.006 -4.405 1.00 0.00 C ATOM 1696 O PRO A 105 -9.516 10.523 -5.338 1.00 0.00 O ATOM 1697 CB PRO A 105 -8.724 13.255 -5.582 1.00 0.00 C ATOM 1698 CG PRO A 105 -7.943 13.114 -6.878 1.00 0.00 C ATOM 1699 CD PRO A 105 -6.657 12.366 -6.569 1.00 0.00 C ATOM 0 HA PRO A 105 -8.023 12.739 -3.604 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -9.776 13.010 -5.731 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -8.685 14.279 -5.212 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -8.530 12.573 -7.620 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -7.722 14.095 -7.299 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -6.557 11.477 -7.191 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -5.782 12.988 -6.758 1.00 0.00 H new ATOM 1707 N PHE A 106 -8.814 10.485 -3.188 1.00 0.00 N ATOM 1708 CA PHE A 106 -9.525 9.261 -2.861 1.00 0.00 C ATOM 1709 C PHE A 106 -10.357 9.433 -1.589 1.00 0.00 C ATOM 1710 O PHE A 106 -10.045 10.274 -0.748 1.00 0.00 O ATOM 1711 CB PHE A 106 -8.468 8.180 -2.622 1.00 0.00 C ATOM 1712 CG PHE A 106 -7.111 8.725 -2.173 1.00 0.00 C ATOM 1713 CD1 PHE A 106 -7.033 9.553 -1.097 1.00 0.00 C ATOM 1714 CD2 PHE A 106 -5.983 8.382 -2.850 1.00 0.00 C ATOM 1715 CE1 PHE A 106 -5.773 10.059 -0.680 1.00 0.00 C ATOM 1716 CE2 PHE A 106 -4.723 8.888 -2.434 1.00 0.00 C ATOM 1717 CZ PHE A 106 -4.645 9.716 -1.358 1.00 0.00 C ATOM 0 H PHE A 106 -8.282 10.888 -2.417 1.00 0.00 H new ATOM 0 HA PHE A 106 -10.202 8.996 -3.673 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -8.837 7.486 -1.867 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -8.333 7.609 -3.541 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -7.929 9.826 -0.560 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -6.045 7.724 -3.704 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -5.711 10.716 0.175 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -3.827 8.615 -2.972 1.00 0.00 H new ATOM 0 HZ PHE A 106 -3.687 10.101 -1.042 1.00 0.00 H new ATOM 1727 N ASP A 107 -11.401 8.624 -1.489 1.00 0.00 N ATOM 1728 CA ASP A 107 -12.282 8.676 -0.334 1.00 0.00 C ATOM 1729 C ASP A 107 -12.163 7.369 0.451 1.00 0.00 C ATOM 1730 O ASP A 107 -12.020 6.298 -0.136 1.00 0.00 O ATOM 1731 CB ASP A 107 -13.741 8.841 -0.761 1.00 0.00 C ATOM 1732 CG ASP A 107 -14.511 9.938 -0.024 1.00 0.00 C ATOM 1733 OD1 ASP A 107 -13.836 10.853 0.497 1.00 0.00 O ATOM 1734 OD2 ASP A 107 -15.757 9.838 0.003 1.00 0.00 O ATOM 0 H ASP A 107 -11.657 7.928 -2.189 1.00 0.00 H new ATOM 0 HA ASP A 107 -11.987 9.529 0.277 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -13.769 9.054 -1.830 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -14.257 7.893 -0.611 1.00 0.00 H new ATOM 1739 N ILE A 108 -12.228 7.500 1.768 1.00 0.00 N ATOM 1740 CA ILE A 108 -12.130 6.342 2.641 1.00 0.00 C ATOM 1741 C ILE A 108 -13.348 5.442 2.425 1.00 0.00 C ATOM 1742 O ILE A 108 -13.226 4.218 2.413 1.00 0.00 O ATOM 1743 CB ILE A 108 -11.939 6.781 4.094 1.00 0.00 C ATOM 1744 CG1 ILE A 108 -10.601 6.283 4.646 1.00 0.00 C ATOM 1745 CG2 ILE A 108 -13.117 6.334 4.961 1.00 0.00 C ATOM 1746 CD1 ILE A 108 -10.462 4.770 4.465 1.00 0.00 C ATOM 0 H ILE A 108 -12.347 8.390 2.252 1.00 0.00 H new ATOM 0 HA ILE A 108 -11.248 5.751 2.393 1.00 0.00 H new ATOM 0 HB ILE A 108 -11.914 7.870 4.121 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -9.782 6.791 4.137 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -10.523 6.535 5.704 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -12.956 6.659 5.989 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -14.037 6.777 4.580 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -13.198 5.247 4.932 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -9.503 4.442 4.866 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -11.269 4.264 4.996 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -10.515 4.524 3.404 1.00 0.00 H new ATOM 1758 N ASP A 109 -14.496 6.083 2.261 1.00 0.00 N ATOM 1759 CA ASP A 109 -15.735 5.356 2.046 1.00 0.00 C ATOM 1760 C ASP A 109 -15.591 4.462 0.813 1.00 0.00 C ATOM 1761 O ASP A 109 -16.002 3.303 0.830 1.00 0.00 O ATOM 1762 CB ASP A 109 -16.902 6.315 1.801 1.00 0.00 C ATOM 1763 CG ASP A 109 -17.770 6.604 3.027 1.00 0.00 C ATOM 1764 OD1 ASP A 109 -18.025 5.641 3.781 1.00 0.00 O ATOM 1765 OD2 ASP A 109 -18.159 7.782 3.182 1.00 0.00 O ATOM 0 H ASP A 109 -14.594 7.098 2.273 1.00 0.00 H new ATOM 0 HA ASP A 109 -15.936 4.764 2.939 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -16.505 7.258 1.425 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -17.535 5.900 1.016 1.00 0.00 H new ATOM 1770 N GLU A 110 -15.004 5.035 -0.228 1.00 0.00 N ATOM 1771 CA GLU A 110 -14.800 4.305 -1.468 1.00 0.00 C ATOM 1772 C GLU A 110 -13.654 3.304 -1.311 1.00 0.00 C ATOM 1773 O GLU A 110 -13.622 2.280 -1.992 1.00 0.00 O ATOM 1774 CB GLU A 110 -14.537 5.263 -2.631 1.00 0.00 C ATOM 1775 CG GLU A 110 -13.155 5.908 -2.508 1.00 0.00 C ATOM 1776 CD GLU A 110 -12.603 6.288 -3.884 1.00 0.00 C ATOM 1777 OE1 GLU A 110 -13.324 7.013 -4.603 1.00 0.00 O ATOM 1778 OE2 GLU A 110 -11.473 5.846 -4.184 1.00 0.00 O ATOM 0 H GLU A 110 -14.663 5.996 -0.238 1.00 0.00 H new ATOM 0 HA GLU A 110 -15.711 3.752 -1.696 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -14.607 4.723 -3.575 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -15.304 6.038 -2.649 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -13.219 6.796 -1.880 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -12.470 5.218 -2.015 1.00 0.00 H new ATOM 1785 N ILE A 111 -12.741 3.635 -0.410 1.00 0.00 N ATOM 1786 CA ILE A 111 -11.596 2.777 -0.156 1.00 0.00 C ATOM 1787 C ILE A 111 -12.018 1.629 0.763 1.00 0.00 C ATOM 1788 O ILE A 111 -11.356 0.594 0.813 1.00 0.00 O ATOM 1789 CB ILE A 111 -10.422 3.597 0.384 1.00 0.00 C ATOM 1790 CG1 ILE A 111 -9.655 4.272 -0.755 1.00 0.00 C ATOM 1791 CG2 ILE A 111 -9.508 2.736 1.258 1.00 0.00 C ATOM 1792 CD1 ILE A 111 -8.517 5.138 -0.212 1.00 0.00 C ATOM 0 H ILE A 111 -12.771 4.485 0.153 1.00 0.00 H new ATOM 0 HA ILE A 111 -11.242 2.329 -1.085 1.00 0.00 H new ATOM 0 HB ILE A 111 -10.821 4.389 1.018 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -9.251 3.514 -1.426 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -10.336 4.887 -1.343 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -8.682 3.343 1.629 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -10.076 2.342 2.101 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -9.114 1.909 0.668 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -7.988 5.606 -1.042 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -8.926 5.910 0.439 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -7.824 4.515 0.354 1.00 0.00 H new ATOM 1804 N ARG A 112 -13.118 1.851 1.468 1.00 0.00 N ATOM 1805 CA ARG A 112 -13.636 0.848 2.382 1.00 0.00 C ATOM 1806 C ARG A 112 -14.215 -0.333 1.601 1.00 0.00 C ATOM 1807 O ARG A 112 -14.305 -1.443 2.124 1.00 0.00 O ATOM 1808 CB ARG A 112 -14.722 1.435 3.285 1.00 0.00 C ATOM 1809 CG ARG A 112 -14.145 2.507 4.211 1.00 0.00 C ATOM 1810 CD ARG A 112 -14.444 2.185 5.677 1.00 0.00 C ATOM 1811 NE ARG A 112 -13.275 1.520 6.297 1.00 0.00 N ATOM 1812 CZ ARG A 112 -13.129 1.336 7.616 1.00 0.00 C ATOM 1813 NH1 ARG A 112 -14.075 1.765 8.462 1.00 0.00 N ATOM 1814 NH2 ARG A 112 -12.035 0.723 8.089 1.00 0.00 N ATOM 0 H ARG A 112 -13.665 2.711 1.424 1.00 0.00 H new ATOM 0 HA ARG A 112 -12.808 0.506 3.003 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -15.515 1.866 2.673 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -15.174 0.641 3.879 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -13.067 2.578 4.063 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -14.567 3.479 3.955 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -14.681 3.101 6.218 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -15.319 1.539 5.745 1.00 0.00 H new ATOM 0 HE ARG A 112 -12.535 1.181 5.682 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -14.907 2.232 8.102 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -13.963 1.624 9.466 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -11.314 0.397 7.445 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -11.923 0.583 9.093 1.00 0.00 H new ATOM 1828 N ASP A 113 -14.594 -0.054 0.363 1.00 0.00 N ATOM 1829 CA ASP A 113 -15.162 -1.080 -0.495 1.00 0.00 C ATOM 1830 C ASP A 113 -14.031 -1.841 -1.191 1.00 0.00 C ATOM 1831 O ASP A 113 -14.068 -3.067 -1.284 1.00 0.00 O ATOM 1832 CB ASP A 113 -16.052 -0.463 -1.576 1.00 0.00 C ATOM 1833 CG ASP A 113 -17.488 -0.991 -1.611 1.00 0.00 C ATOM 1834 OD1 ASP A 113 -17.667 -2.173 -1.245 1.00 0.00 O ATOM 1835 OD2 ASP A 113 -18.374 -0.201 -2.002 1.00 0.00 O ATOM 0 H ASP A 113 -14.519 0.868 -0.067 1.00 0.00 H new ATOM 0 HA ASP A 113 -15.759 -1.747 0.127 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -16.081 0.617 -1.429 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -15.592 -0.640 -2.548 1.00 0.00 H new ATOM 1840 N ALA A 114 -13.053 -1.082 -1.663 1.00 0.00 N ATOM 1841 CA ALA A 114 -11.914 -1.669 -2.347 1.00 0.00 C ATOM 1842 C ALA A 114 -11.086 -2.480 -1.348 1.00 0.00 C ATOM 1843 O ALA A 114 -10.429 -3.450 -1.723 1.00 0.00 O ATOM 1844 CB ALA A 114 -11.097 -0.563 -3.019 1.00 0.00 C ATOM 0 H ALA A 114 -13.026 -0.065 -1.585 1.00 0.00 H new ATOM 0 HA ALA A 114 -12.246 -2.351 -3.130 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -10.242 -1.003 -3.532 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -11.722 -0.036 -3.740 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -10.744 0.139 -2.263 1.00 0.00 H new ATOM 1850 N VAL A 115 -11.146 -2.053 -0.095 1.00 0.00 N ATOM 1851 CA VAL A 115 -10.410 -2.728 0.961 1.00 0.00 C ATOM 1852 C VAL A 115 -10.930 -4.160 1.104 1.00 0.00 C ATOM 1853 O VAL A 115 -10.166 -5.073 1.412 1.00 0.00 O ATOM 1854 CB VAL A 115 -10.505 -1.925 2.260 1.00 0.00 C ATOM 1855 CG1 VAL A 115 -10.302 -2.828 3.478 1.00 0.00 C ATOM 1856 CG2 VAL A 115 -9.505 -0.767 2.263 1.00 0.00 C ATOM 0 H VAL A 115 -11.692 -1.249 0.213 1.00 0.00 H new ATOM 0 HA VAL A 115 -9.351 -2.790 0.709 1.00 0.00 H new ATOM 0 HB VAL A 115 -11.508 -1.502 2.320 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -10.374 -2.233 4.388 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -11.069 -3.602 3.489 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -9.318 -3.293 3.426 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -9.593 -0.212 3.197 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -8.493 -1.160 2.169 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -9.716 -0.102 1.425 1.00 0.00 H new ATOM 1866 N LYS A 116 -12.226 -4.311 0.873 1.00 0.00 N ATOM 1867 CA LYS A 116 -12.856 -5.616 0.973 1.00 0.00 C ATOM 1868 C LYS A 116 -12.183 -6.579 -0.008 1.00 0.00 C ATOM 1869 O LYS A 116 -11.888 -7.720 0.342 1.00 0.00 O ATOM 1870 CB LYS A 116 -14.369 -5.496 0.777 1.00 0.00 C ATOM 1871 CG LYS A 116 -15.038 -6.871 0.824 1.00 0.00 C ATOM 1872 CD LYS A 116 -15.969 -7.070 -0.373 1.00 0.00 C ATOM 1873 CE LYS A 116 -15.170 -7.319 -1.654 1.00 0.00 C ATOM 1874 NZ LYS A 116 -15.276 -6.157 -2.565 1.00 0.00 N ATOM 0 H LYS A 116 -12.857 -3.551 0.617 1.00 0.00 H new ATOM 0 HA LYS A 116 -12.719 -6.030 1.972 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -14.790 -4.856 1.552 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -14.579 -5.018 -0.180 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -14.276 -7.650 0.830 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -15.604 -6.972 1.750 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -16.634 -7.913 -0.185 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -16.599 -6.189 -0.499 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -14.124 -7.501 -1.408 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -15.541 -8.215 -2.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -15.083 -6.462 -3.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -16.235 -5.759 -2.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -14.584 -5.433 -2.286 1.00 0.00 H new ATOM 1888 N LYS A 117 -11.961 -6.082 -1.216 1.00 0.00 N ATOM 1889 CA LYS A 117 -11.328 -6.884 -2.249 1.00 0.00 C ATOM 1890 C LYS A 117 -9.814 -6.887 -2.031 1.00 0.00 C ATOM 1891 O LYS A 117 -9.165 -7.922 -2.174 1.00 0.00 O ATOM 1892 CB LYS A 117 -11.749 -6.398 -3.638 1.00 0.00 C ATOM 1893 CG LYS A 117 -11.309 -4.950 -3.868 1.00 0.00 C ATOM 1894 CD LYS A 117 -11.553 -4.527 -5.318 1.00 0.00 C ATOM 1895 CE LYS A 117 -10.336 -3.796 -5.888 1.00 0.00 C ATOM 1896 NZ LYS A 117 -9.736 -4.574 -6.995 1.00 0.00 N ATOM 0 H LYS A 117 -12.208 -5.135 -1.502 1.00 0.00 H new ATOM 0 HA LYS A 117 -11.661 -7.920 -2.185 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -11.310 -7.041 -4.401 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -12.831 -6.474 -3.741 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -11.856 -4.289 -3.196 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -10.251 -4.845 -3.628 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -11.771 -5.406 -5.925 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -12.428 -3.879 -5.369 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -10.632 -2.810 -6.247 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -9.597 -3.641 -5.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -8.911 -4.064 -7.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -9.436 -5.505 -6.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -10.439 -4.700 -7.751 1.00 0.00 H new ATOM 1910 N TYR A 118 -9.295 -5.717 -1.689 1.00 0.00 N ATOM 1911 CA TYR A 118 -7.870 -5.572 -1.449 1.00 0.00 C ATOM 1912 C TYR A 118 -7.374 -6.612 -0.442 1.00 0.00 C ATOM 1913 O TYR A 118 -6.360 -7.270 -0.673 1.00 0.00 O ATOM 1914 CB TYR A 118 -7.682 -4.175 -0.855 1.00 0.00 C ATOM 1915 CG TYR A 118 -6.228 -3.700 -0.829 1.00 0.00 C ATOM 1916 CD1 TYR A 118 -5.225 -4.521 -1.303 1.00 0.00 C ATOM 1917 CD2 TYR A 118 -5.919 -2.450 -0.331 1.00 0.00 C ATOM 1918 CE1 TYR A 118 -3.856 -4.074 -1.278 1.00 0.00 C ATOM 1919 CE2 TYR A 118 -4.550 -2.003 -0.306 1.00 0.00 C ATOM 1920 CZ TYR A 118 -3.586 -2.837 -0.780 1.00 0.00 C ATOM 1921 OH TYR A 118 -2.294 -2.415 -0.757 1.00 0.00 O ATOM 0 H TYR A 118 -9.836 -4.860 -1.572 1.00 0.00 H new ATOM 0 HA TYR A 118 -7.310 -5.712 -2.373 1.00 0.00 H new ATOM 0 HB2 TYR A 118 -8.275 -3.464 -1.430 1.00 0.00 H new ATOM 0 HB3 TYR A 118 -8.074 -4.168 0.162 1.00 0.00 H new ATOM 0 HD1 TYR A 118 -5.467 -5.499 -1.693 1.00 0.00 H new ATOM 0 HD2 TYR A 118 -6.704 -1.807 0.040 1.00 0.00 H new ATOM 0 HE1 TYR A 118 -3.062 -4.706 -1.646 1.00 0.00 H new ATOM 0 HE2 TYR A 118 -4.295 -1.027 0.081 1.00 0.00 H new ATOM 0 HH TYR A 118 -1.986 -2.356 0.171 1.00 0.00 H new ATOM 1931 N LEU A 119 -8.111 -6.728 0.652 1.00 0.00 N ATOM 1932 CA LEU A 119 -7.759 -7.677 1.695 1.00 0.00 C ATOM 1933 C LEU A 119 -8.466 -9.007 1.427 1.00 0.00 C ATOM 1934 O LEU A 119 -9.529 -9.036 0.809 1.00 0.00 O ATOM 1935 CB LEU A 119 -8.056 -7.089 3.076 1.00 0.00 C ATOM 1936 CG LEU A 119 -6.871 -7.013 4.041 1.00 0.00 C ATOM 1937 CD1 LEU A 119 -6.608 -5.569 4.472 1.00 0.00 C ATOM 1938 CD2 LEU A 119 -7.080 -7.940 5.240 1.00 0.00 C ATOM 0 H LEU A 119 -8.951 -6.181 0.839 1.00 0.00 H new ATOM 0 HA LEU A 119 -6.688 -7.877 1.683 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -8.456 -6.084 2.943 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -8.841 -7.685 3.542 1.00 0.00 H new ATOM 0 HG LEU A 119 -5.980 -7.360 3.517 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -5.761 -5.542 5.158 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -6.384 -4.962 3.595 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -7.492 -5.172 4.971 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -6.223 -7.867 5.910 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -7.984 -7.647 5.773 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -7.181 -8.968 4.892 1.00 0.00 H new ATOM 1950 N PRO A 120 -7.831 -10.104 1.920 1.00 0.00 N ATOM 1951 CA PRO A 120 -8.388 -11.434 1.740 1.00 0.00 C ATOM 1952 C PRO A 120 -9.578 -11.661 2.675 1.00 0.00 C ATOM 1953 O PRO A 120 -9.579 -12.601 3.468 1.00 0.00 O ATOM 1954 CB PRO A 120 -7.232 -12.384 2.010 1.00 0.00 C ATOM 1955 CG PRO A 120 -6.199 -11.576 2.779 1.00 0.00 C ATOM 1956 CD PRO A 120 -6.571 -10.108 2.657 1.00 0.00 C ATOM 0 HA PRO A 120 -8.790 -11.590 0.739 1.00 0.00 H new ATOM 0 HB2 PRO A 120 -7.562 -13.247 2.588 1.00 0.00 H new ATOM 0 HB3 PRO A 120 -6.815 -12.766 1.078 1.00 0.00 H new ATOM 0 HG2 PRO A 120 -6.179 -11.879 3.826 1.00 0.00 H new ATOM 0 HG3 PRO A 120 -5.201 -11.752 2.378 1.00 0.00 H new ATOM 0 HD2 PRO A 120 -6.685 -9.646 3.638 1.00 0.00 H new ATOM 0 HD3 PRO A 120 -5.801 -9.547 2.127 1.00 0.00 H new ATOM 1964 N LEU A 121 -10.563 -10.784 2.549 1.00 0.00 N ATOM 1965 CA LEU A 121 -11.757 -10.877 3.373 1.00 0.00 C ATOM 1966 C LEU A 121 -12.843 -11.634 2.605 1.00 0.00 C ATOM 1967 O LEU A 121 -12.732 -11.829 1.396 1.00 0.00 O ATOM 1968 CB LEU A 121 -12.192 -9.488 3.844 1.00 0.00 C ATOM 1969 CG LEU A 121 -13.569 -9.405 4.506 1.00 0.00 C ATOM 1970 CD1 LEU A 121 -13.583 -10.155 5.839 1.00 0.00 C ATOM 1971 CD2 LEU A 121 -14.015 -7.950 4.662 1.00 0.00 C ATOM 0 H LEU A 121 -10.559 -10.006 1.889 1.00 0.00 H new ATOM 0 HA LEU A 121 -11.551 -11.446 4.280 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -11.449 -9.116 4.549 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -12.182 -8.816 2.986 1.00 0.00 H new ATOM 0 HG LEU A 121 -14.292 -9.895 3.854 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -14.573 -10.080 6.288 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -13.340 -11.204 5.669 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -12.846 -9.716 6.511 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -14.997 -7.919 5.135 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -13.296 -7.414 5.282 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -14.070 -7.479 3.680 1.00 0.00 H new ATOM 1983 N LYS A 122 -13.868 -12.040 3.340 1.00 0.00 N ATOM 1984 CA LYS A 122 -14.973 -12.771 2.744 1.00 0.00 C ATOM 1985 C LYS A 122 -15.351 -12.119 1.412 1.00 0.00 C ATOM 1986 O LYS A 122 -15.840 -10.990 1.386 1.00 0.00 O ATOM 1987 CB LYS A 122 -16.138 -12.878 3.729 1.00 0.00 C ATOM 1988 CG LYS A 122 -17.305 -13.657 3.117 1.00 0.00 C ATOM 1989 CD LYS A 122 -18.609 -12.865 3.224 1.00 0.00 C ATOM 1990 CE LYS A 122 -19.355 -13.211 4.515 1.00 0.00 C ATOM 1991 NZ LYS A 122 -20.656 -12.507 4.566 1.00 0.00 N ATOM 0 H LYS A 122 -13.956 -11.876 4.343 1.00 0.00 H new ATOM 0 HA LYS A 122 -14.677 -13.797 2.524 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -15.804 -13.374 4.640 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -16.472 -11.880 4.013 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -17.092 -13.875 2.070 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -17.414 -14.615 3.626 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -18.393 -11.797 3.199 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -19.243 -13.082 2.364 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -19.515 -14.288 4.572 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -18.750 -12.932 5.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -21.149 -12.753 5.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -20.496 -11.480 4.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -21.238 -12.793 3.753 1.00 0.00 H new ATOM 2005 N SER A 123 -15.111 -12.857 0.339 1.00 0.00 N ATOM 2006 CA SER A 123 -15.420 -12.365 -0.993 1.00 0.00 C ATOM 2007 C SER A 123 -16.889 -11.946 -1.068 1.00 0.00 C ATOM 2008 O SER A 123 -17.782 -12.748 -0.799 1.00 0.00 O ATOM 2009 CB SER A 123 -15.115 -13.422 -2.056 1.00 0.00 C ATOM 2010 OG SER A 123 -16.123 -14.428 -2.113 1.00 0.00 O ATOM 0 H SER A 123 -14.706 -13.793 0.364 1.00 0.00 H new ATOM 0 HA SER A 123 -14.790 -11.498 -1.191 1.00 0.00 H new ATOM 0 HB2 SER A 123 -15.027 -12.941 -3.030 1.00 0.00 H new ATOM 0 HB3 SER A 123 -14.152 -13.885 -1.841 1.00 0.00 H new ATOM 0 HG SER A 123 -16.960 -14.073 -1.748 1.00 0.00 H new ATOM 2016 N ASN A 124 -17.095 -10.689 -1.434 1.00 0.00 N ATOM 2017 CA ASN A 124 -18.441 -10.154 -1.548 1.00 0.00 C ATOM 2018 C ASN A 124 -19.310 -11.133 -2.341 1.00 0.00 C ATOM 2019 O ASN A 124 -20.354 -10.754 -2.868 1.00 0.00 O ATOM 2020 CB ASN A 124 -18.441 -8.815 -2.288 1.00 0.00 C ATOM 2021 CG ASN A 124 -19.693 -8.002 -1.952 1.00 0.00 C ATOM 2022 OD1 ASN A 124 -20.542 -7.746 -2.790 1.00 0.00 O ATOM 2023 ND2 ASN A 124 -19.759 -7.612 -0.682 1.00 0.00 N ATOM 0 H ASN A 124 -16.352 -10.026 -1.655 1.00 0.00 H new ATOM 0 HA ASN A 124 -18.832 -10.009 -0.541 1.00 0.00 H new ATOM 0 HB2 ASN A 124 -17.551 -8.247 -2.018 1.00 0.00 H new ATOM 0 HB3 ASN A 124 -18.394 -8.990 -3.363 1.00 0.00 H new ATOM 0 HD21 ASN A 124 -20.556 -7.064 -0.358 1.00 0.00 H new ATOM 0 HD22 ASN A 124 -19.013 -7.861 -0.033 1.00 0.00 H new TER 2030 ASN A 124